#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hdg s LEU 9 N 0.00 1.86 0.01 0.00 2.96 -1.26 -5.05 118.68 117.20 3hdg s LEU 9 Ca 0.00 -0.60 -0.27 0.00 -0.22 0.00 0.00 54.13 53.04 3hdg s LEU 9 Cb 0.00 -1.21 -0.04 0.00 0.50 0.00 0.00 46.19 45.44 3hdg s LEU 9 CO 0.00 -0.08 0.85 -0.54 -1.32 0.00 0.00 176.35 175.26 3hdg s LYS 10 N 1.45 4.53 -0.04 1.98 1.02 -1.26 -4.60 119.74 122.82 3hdg s LYS 10 Ca 0.03 1.19 0.05 0.00 0.02 0.00 0.00 55.97 57.27 3hdg s LYS 10 Cb -0.14 -3.42 -0.01 0.00 -0.52 0.00 0.00 37.83 33.74 3hdg s LYS 10 CO -0.10 0.10 -0.19 0.42 -0.92 0.00 0.00 175.35 174.66 3hdg s ILE 11 N 0.56 1.53 -0.14 2.17 1.01 -0.32 -0.38 121.20 125.64 3hdg s ILE 11 Ca 0.44 -0.79 0.02 0.00 0.00 0.00 0.00 60.65 60.32 3hdg s ILE 11 Cb -0.20 -1.30 0.01 0.00 0.01 0.00 0.00 42.46 40.97 3hdg s ILE 11 CO 0.24 0.44 -0.20 -0.22 0.00 0.00 0.00 174.94 175.20 3hdg s LEU 12 N -0.12 2.04 -0.15 2.97 2.96 -0.19 -1.12 118.68 125.08 3hdg s LEU 12 Ca -0.01 -0.58 -0.04 0.00 -0.22 0.00 0.00 54.13 53.28 3hdg s LEU 12 Cb -0.11 -1.38 -0.03 0.00 0.50 0.00 0.00 46.19 45.17 3hdg s LEU 12 CO 0.02 0.06 0.00 -0.63 -1.32 0.00 0.00 176.35 174.48 3hdg s ILE 13 N 0.90 4.28 -0.25 6.68 1.01 0.15 -0.91 121.20 133.06 3hdg s ILE 13 Ca -0.06 -0.23 -0.01 0.00 0.00 0.00 0.00 60.65 60.35 3hdg s ILE 13 Cb -0.15 -2.87 0.08 0.00 0.01 0.00 0.00 42.46 39.52 3hdg s ILE 13 CO -0.03 0.51 0.04 -0.69 0.00 0.00 0.00 174.94 174.77 3hdg s VAL 14 N 0.05 0.92 -0.12 2.92 1.01 0.44 -0.18 120.40 125.44 3hdg s VAL 14 Ca 0.02 -1.05 -0.06 0.00 0.00 0.00 0.00 61.98 60.88 3hdg s VAL 14 Cb -0.13 -1.47 0.05 0.00 0.00 0.00 0.00 36.38 34.82 3hdg s VAL 14 CO 0.02 -0.36 0.28 -0.70 0.00 0.00 0.00 175.10 174.34 3hdg s GLU 15 N 1.64 0.25 0.07 2.72 2.56 -0.34 -1.10 118.70 124.51 3hdg s GLU 15 Ca 0.02 0.57 0.28 0.00 0.00 0.00 0.00 54.97 55.84 3hdg s GLU 15 Cb -0.18 -0.08 1.10 0.00 2.00 0.00 0.00 34.13 36.97 3hdg s GLU 15 CO -0.14 -0.15 1.88 -0.40 -0.56 0.00 0.00 175.26 175.89 3hdg n ASP 16 N 4.13 0.26 -4.53 -1.70 5.68 -1.26 -4.13 116.55 115.00 3hdg n ASP 16 Ca -0.24 0.52 -0.43 0.00 -0.50 0.00 0.00 54.79 54.15 3hdg n ASP 16 Cb 0.54 -0.59 -0.05 0.00 -1.14 0.00 0.00 41.12 39.88 3hdg n ASP 16 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3hdg s ASP 17 N -3.48 6.39 0.38 -1.12 2.15 -1.26 -4.93 116.67 114.80 3hdg s ASP 17 Ca 0.13 -0.20 0.17 0.00 0.43 0.00 0.00 52.55 53.08 3hdg s ASP 17 Cb 0.17 -2.41 1.05 0.00 -0.30 0.00 0.00 42.92 41.43 3hdg s ASP 17 CO 0.55 -1.04 1.77 0.74 -0.17 0.00 0.00 175.17 177.01 3hdg h THR 18 N 6.01 0.54 -0.01 1.71 2.02 -1.99 0.13 112.91 121.31 3hdg h THR 18 Ca -0.25 -0.15 -0.14 0.00 0.77 0.00 0.00 66.41 66.63 3hdg h THR 18 Cb 1.08 0.06 0.01 0.00 -1.74 0.00 0.00 68.15 67.56 3hdg h THR 18 CO 1.01 0.08 -0.55 0.44 0.37 0.00 0.00 175.52 176.87 3hdg h ASP 19 N 0.44 0.51 -0.55 4.18 3.32 -1.96 -2.51 116.42 119.84 3hdg h ASP 19 Ca 0.60 -0.75 -0.05 0.00 0.02 0.00 0.00 57.03 56.85 3hdg h ASP 19 Cb 1.43 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.81 3hdg h ASP 19 CO -0.33 1.19 0.13 0.00 -1.72 0.00 0.00 179.24 178.51 3hdg h ALA 20 N 0.33 0.72 -0.25 3.45 0.00 -1.76 -1.53 119.26 120.23 3hdg h ALA 20 Ca -0.07 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.63 3hdg h ALA 20 Cb 1.26 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 3hdg h ALA 20 CO 0.11 0.43 0.15 -0.09 0.00 0.00 0.00 179.25 179.85 3hdg h ARG 21 N 0.78 0.30 -0.20 0.00 2.43 -0.84 -0.67 114.38 116.18 3hdg h ARG 21 Ca 0.17 -0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 59.20 3hdg h ARG 21 Cb 0.35 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 3hdg h ARG 21 CO 0.00 0.20 -0.41 0.93 -1.51 0.00 0.00 179.97 179.18 3hdg h GLU 22 N 0.31 0.46 -0.30 0.20 5.08 -1.40 -1.26 114.58 117.67 3hdg h GLU 22 Ca 0.10 -0.23 -0.03 0.00 -1.00 0.00 0.00 59.36 58.20 3hdg h GLU 22 Cb -0.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 3hdg h GLU 22 CO -0.04 0.79 0.07 2.35 -1.00 0.00 0.00 179.01 181.18 3hdg h TRP 23 N 0.38 0.50 -0.67 4.33 7.01 -1.05 -0.86 115.95 125.59 3hdg h TRP 23 Ca 0.03 -0.06 -0.03 0.00 2.11 0.00 0.00 58.89 60.95 3hdg h TRP 23 Cb 0.88 -0.14 -0.03 0.00 -2.10 0.00 0.00 29.16 27.77 3hdg h TRP 23 CO 0.03 0.54 0.31 -0.07 -2.79 0.00 0.00 178.44 176.46 3hdg h LEU 24 N 0.32 0.88 -0.73 0.65 3.38 -0.99 -2.07 115.31 116.75 3hdg h LEU 24 Ca 0.09 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 3hdg h LEU 24 Cb 0.29 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 3hdg h LEU 24 CO 0.00 0.77 0.27 -1.28 0.09 0.00 0.00 178.44 178.29 3hdg h SER 25 N 0.92 1.03 0.88 -0.43 0.87 -1.05 -1.80 113.55 113.97 3hdg h SER 25 Ca 0.23 -0.19 -0.04 0.00 -1.23 0.00 0.00 61.79 60.56 3hdg h SER 25 Cb 0.13 -0.27 0.01 0.00 -0.44 0.00 0.00 62.40 61.83 3hdg h SER 25 CO -0.03 0.94 -0.42 0.74 -0.53 0.00 0.00 176.83 177.53 3hdg h THR 26 N 1.06 0.03 -0.87 2.23 2.02 -0.79 -0.15 112.91 116.44 3hdg h THR 26 Ca 0.24 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 67.29 3hdg h THR 26 Cb 0.25 0.04 -0.04 0.00 -1.74 0.00 0.00 68.15 66.65 3hdg h THR 26 CO -0.02 0.00 0.51 0.16 0.37 0.00 0.00 175.52 176.55 3hdg h ILE 27 N -1.29 1.24 -0.38 3.11 3.07 -1.41 -2.35 117.51 119.50 3hdg h ILE 27 Ca -0.12 -0.56 -0.14 0.00 1.55 0.00 0.00 64.86 65.59 3hdg h ILE 27 Cb 0.90 0.03 -0.01 0.00 -0.27 0.00 0.00 36.82 37.48 3hdg h ILE 27 CO 0.20 0.26 -0.30 0.40 -1.05 0.00 0.00 178.15 177.66 3hdg h ILE 28 N 1.21 1.28 -0.03 0.16 2.04 -1.35 -2.92 117.51 117.89 3hdg h ILE 28 Ca 0.31 -1.47 0.01 0.00 1.00 0.00 0.00 64.86 64.71 3hdg h ILE 28 Cb -0.03 1.36 -0.00 0.00 -0.74 0.00 0.00 36.82 37.42 3hdg h ILE 28 CO -0.06 0.49 0.03 0.28 0.00 0.00 0.00 178.15 178.89 3hdg h SER 29 N 0.69 0.00 0.14 1.72 0.02 -0.61 0.11 113.55 115.62 3hdg h SER 29 Ca 0.07 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.00 3hdg h SER 29 Cb 0.88 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.42 3hdg h SER 29 CO 0.08 0.00 -0.11 0.78 -1.14 0.00 0.00 176.83 176.44 3hdg h ASN 30 N 0.00 0.00 0.00 3.07 2.35 -1.23 -3.19 115.58 116.58 3hdg h ASN 30 Ca 0.01 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.74 3hdg h ASN 30 Cb 0.07 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.43 3hdg h ASN 30 CO -0.00 0.11 -1.51 1.41 -1.65 0.00 0.00 177.43 175.79 3hdg n HIS 31 N -4.26 0.00 -4.45 1.19 8.25 -0.50 -4.97 115.22 110.48 3hdg n HIS 31 Ca -0.03 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.15 3hdg n HIS 31 Cb 0.19 -0.27 -0.17 0.00 1.12 0.00 0.00 29.99 30.86 3hdg n HIS 31 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3hdg s PHE 32 N -2.67 1.91 0.08 4.41 0.08 0.27 -5.04 117.98 117.02 3hdg s PHE 32 Ca -0.04 -0.88 -0.14 0.00 0.12 0.00 0.00 56.93 55.99 3hdg s PHE 32 Cb 0.06 -1.39 -0.19 0.00 -0.57 0.00 0.00 43.02 40.94 3hdg s PHE 32 CO 0.44 -0.46 1.25 -1.35 -0.10 0.00 0.00 175.22 175.00 3hdg h PRO 33 N 7.41 0.73 -5.70 0.24 0.11 -1.86 -3.35 132.00 129.58 3hdg h PRO 33 Ca -0.31 -0.66 -0.66 0.00 0.11 0.00 0.00 66.00 64.48 3hdg h PRO 33 Cb 1.17 0.16 -0.11 0.00 0.11 0.00 0.00 31.00 32.33 3hdg h PRO 33 CO 0.48 1.26 1.67 -1.21 -0.21 0.00 0.00 178.00 180.00 3hdg s GLU 34 N -3.58 3.81 -0.02 1.05 0.41 -1.26 -4.97 118.70 114.14 3hdg s GLU 34 Ca -0.10 -1.74 0.03 0.00 -0.41 0.00 0.00 54.97 52.75 3hdg s GLU 34 Cb 0.08 -5.33 -0.00 0.00 -1.78 0.00 0.00 34.13 27.09 3hdg s GLU 34 CO 0.90 -2.12 -0.11 0.08 -0.49 0.00 0.00 175.26 173.53 3hdg s VAL 35 N 3.95 0.90 0.05 2.63 1.01 -1.26 -1.18 120.40 126.50 3hdg s VAL 35 Ca 0.47 -0.46 0.03 0.00 0.00 0.00 0.00 61.98 62.02 3hdg s VAL 35 Cb 0.01 -0.77 -0.02 0.00 0.00 0.00 0.00 36.38 35.59 3hdg s VAL 35 CO -0.02 0.26 -0.09 0.26 0.00 0.00 0.00 175.10 175.52 3hdg s TRP 36 N -0.07 0.77 0.05 5.22 0.51 -0.28 -5.00 118.94 120.14 3hdg s TRP 36 Ca 0.01 -0.48 0.01 0.00 -2.12 0.00 0.00 56.10 53.52 3hdg s TRP 36 Cb -0.07 -0.45 -0.03 0.00 -0.81 0.00 0.00 33.47 32.11 3hdg s TRP 36 CO 0.00 -0.06 -0.06 -1.54 -0.51 0.00 0.00 176.95 174.78 3hdg s SER 37 N -1.58 0.74 0.04 2.95 1.04 -1.26 0.34 113.70 115.97 3hdg s SER 37 Ca -0.08 -0.67 -0.06 0.00 0.48 0.00 0.00 55.95 55.62 3hdg s SER 37 Cb -0.10 0.08 -0.01 0.00 0.10 0.00 0.00 66.02 66.09 3hdg s SER 37 CO 0.01 -0.31 0.10 0.00 0.98 0.00 0.00 173.24 174.02 3hdg s ALA 38 N -2.06 -0.06 -2.25 5.32 0.00 0.74 -4.94 121.76 118.52 3hdg s ALA 38 Ca -0.06 -0.57 0.22 0.00 0.00 0.00 0.00 51.96 51.55 3hdg s ALA 38 Cb -0.05 0.27 0.45 0.00 0.00 0.00 0.00 23.12 23.78 3hdg s ALA 38 CO -0.02 -0.34 1.40 0.41 0.00 0.00 0.00 175.76 177.22 3hdg n GLY 39 N 0.68 1.88 3.60 0.00 0.00 -1.26 -1.20 105.19 108.88 3hdg n GLY 39 Ca -0.18 -0.72 -0.08 0.00 0.00 0.00 0.00 46.02 45.04 3hdg n GLY 39 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3hdg s ASP 40 N -1.34 -0.35 0.31 1.61 1.47 -1.26 -3.99 116.67 113.12 3hdg s ASP 40 Ca 0.39 -0.19 0.05 0.00 1.18 0.00 0.00 52.55 53.99 3hdg s ASP 40 Cb 0.22 0.51 0.69 0.00 -0.34 0.00 0.00 42.92 44.00 3hdg s ASP 40 CO 0.31 -0.88 1.83 1.23 0.68 0.00 0.00 175.17 178.34 3hdg h GLY 41 N 2.00 1.53 0.93 2.12 0.00 -1.01 -1.65 103.07 107.00 3hdg h GLY 41 Ca -0.25 -0.37 -0.03 0.00 0.00 0.00 0.00 47.33 46.68 3hdg h GLY 41 CO 0.30 0.08 -0.27 0.83 0.00 0.00 0.00 176.54 177.49 3hdg h GLU 42 N 0.84 -0.72 -0.54 4.80 5.08 -1.85 0.26 114.58 122.45 3hdg h GLU 42 Ca 0.50 0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.88 3hdg h GLU 42 Cb 0.68 0.16 -0.03 0.00 0.50 0.00 0.00 28.75 30.07 3hdg h GLU 42 CO -0.27 -0.45 0.18 1.49 -1.00 0.00 0.00 179.01 178.96 3hdg h GLU 43 N -0.82 0.80 0.12 2.33 4.57 -1.95 0.43 114.58 120.06 3hdg h GLU 43 Ca -0.08 -0.13 0.01 0.00 -1.18 0.00 0.00 59.36 57.98 3hdg h GLU 43 Cb 0.60 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 29.03 3hdg h GLU 43 CO 0.13 0.68 -0.21 0.78 -1.18 0.00 0.00 179.01 179.21 3hdg h GLY 44 N 0.93 -0.39 0.64 1.92 0.00 -1.06 0.36 103.07 105.48 3hdg h GLY 44 Ca 0.18 0.24 0.03 0.00 0.00 0.00 0.00 47.33 47.79 3hdg h GLY 44 CO -0.01 -0.19 -0.08 -2.09 0.00 0.00 0.00 176.54 174.17 3hdg h GLU 45 N -0.40 -0.08 -0.40 4.80 4.81 0.23 0.55 114.58 124.09 3hdg h GLU 45 Ca 0.02 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.30 3hdg h GLU 45 Cb 0.42 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.78 3hdg h GLU 45 CO -0.11 -0.05 0.17 -0.09 -0.73 0.00 0.00 179.01 178.19 3hdg h ARG 46 N -0.08 0.33 -0.19 1.92 1.12 -0.67 -0.79 114.38 116.02 3hdg h ARG 46 Ca 0.07 -0.02 -0.04 0.00 -1.11 0.00 0.00 59.98 58.89 3hdg h ARG 46 Cb 0.19 -0.08 -0.01 0.00 -0.01 0.00 0.00 29.97 30.06 3hdg h ARG 46 CO -0.17 0.22 -0.05 -0.07 -3.11 0.00 0.00 179.97 176.79 3hdg h LEU 47 N 0.34 0.26 -0.16 3.80 3.38 0.15 -1.56 115.31 121.53 3hdg h LEU 47 Ca 0.18 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 58.04 3hdg h LEU 47 Cb 0.13 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 3hdg h LEU 47 CO -0.16 0.36 -0.17 0.15 0.09 0.00 0.00 178.44 178.72 3hdg h PHE 48 N 0.28 0.48 -0.10 1.13 3.57 0.34 -0.59 116.94 122.04 3hdg h PHE 48 Ca 0.06 -0.15 -0.05 0.00 3.53 0.00 0.00 57.97 61.36 3hdg h PHE 48 Cb 0.28 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 3hdg h PHE 48 CO 0.01 0.78 -0.18 0.78 -2.23 0.00 0.00 178.31 177.47 3hdg h GLY 49 N 0.04 0.18 1.39 2.40 0.00 -1.00 0.37 103.07 106.46 3hdg h GLY 49 Ca 0.03 -0.11 -0.24 0.00 0.00 0.00 0.00 47.33 47.01 3hdg h GLY 49 CO 0.04 0.10 -0.95 1.41 0.00 0.00 0.00 176.54 177.15 3hdg h LEU 50 N 0.15 0.71 -0.92 3.11 3.38 -1.15 -3.38 115.31 117.21 3hdg h LEU 50 Ca 0.03 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.45 3hdg h LEU 50 Cb 0.41 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3hdg h LEU 50 CO 0.03 1.34 -0.00 1.41 0.09 0.00 0.00 178.44 181.31 3hdg n HIS 51 N -3.81 0.00 -4.11 1.13 8.25 -0.24 -5.04 115.22 111.40 3hdg n HIS 51 Ca -0.08 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 56.94 3hdg n HIS 51 Cb 0.84 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.95 3hdg n HIS 51 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hdg n ALA 52 N -0.07 -2.51 -1.33 -1.41 0.00 0.13 -4.88 120.51 110.44 3hdg n ALA 52 Ca 0.00 -0.55 -0.34 0.00 0.00 0.00 0.00 53.44 52.56 3hdg n ALA 52 Cb 0.02 -2.36 0.09 0.00 0.00 0.00 0.00 19.45 17.20 3hdg n ALA 52 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3hdg s PRO 53 N -7.40 2.18 0.07 0.00 0.04 -1.26 -4.95 135.00 123.69 3hdg s PRO 53 Ca 0.41 1.64 0.02 0.00 0.04 0.00 0.00 61.00 63.11 3hdg s PRO 53 Cb -0.22 -1.85 -0.25 0.00 0.04 0.00 0.00 34.50 32.22 3hdg s PRO 53 CO 0.97 -1.78 1.10 -0.44 0.04 0.00 0.00 177.00 176.90 3hdg h ASP 54 N -0.41 0.21 -4.26 6.66 3.32 -1.05 -3.47 116.42 117.42 3hdg h ASP 54 Ca -0.47 -0.24 -0.57 0.00 0.02 0.00 0.00 57.03 55.77 3hdg h ASP 54 Cb 1.28 -0.07 -0.25 0.00 0.22 0.00 0.00 39.33 40.51 3hdg h ASP 54 CO 0.50 1.20 -0.84 -0.69 -1.72 0.00 0.00 179.24 177.69 3hdg s VAL 55 N -2.67 1.65 -0.09 -1.35 1.01 -0.09 -1.11 120.40 117.75 3hdg s VAL 55 Ca -0.03 -1.26 0.00 0.00 0.00 0.00 0.00 61.98 60.69 3hdg s VAL 55 Cb 0.08 -1.45 0.02 0.00 0.00 0.00 0.00 36.38 35.04 3hdg s VAL 55 CO 0.85 0.14 -0.07 -0.63 0.00 0.00 0.00 175.10 175.39 3hdg s ILE 56 N -0.88 0.88 -0.30 2.22 1.01 -0.36 -1.02 121.20 122.75 3hdg s ILE 56 Ca 0.07 -0.25 -0.06 0.00 0.00 0.00 0.00 60.65 60.41 3hdg s ILE 56 Cb -0.09 -0.90 0.01 0.00 0.01 0.00 0.00 42.46 41.50 3hdg s ILE 56 CO 0.02 0.33 0.08 -0.63 0.00 0.00 0.00 174.94 174.74 3hdg s ILE 57 N 1.40 3.89 0.02 2.92 1.01 -0.09 -0.83 121.20 129.52 3hdg s ILE 57 Ca -0.02 -0.76 0.02 0.00 0.00 0.00 0.00 60.65 59.90 3hdg s ILE 57 Cb -0.13 -3.03 -0.02 0.00 0.01 0.00 0.00 42.46 39.29 3hdg s ILE 57 CO -0.04 0.06 -0.07 0.28 0.00 0.00 0.00 174.94 175.17 3hdg s THR 58 N 1.48 0.55 0.54 2.92 -1.32 -0.32 -0.42 115.64 119.07 3hdg s THR 58 Ca 0.02 -0.71 -0.12 0.00 -1.21 0.00 0.00 61.69 59.67 3hdg s THR 58 Cb -0.17 -0.54 -0.06 0.00 -1.51 0.00 0.00 72.50 70.22 3hdg s THR 58 CO 0.02 -0.13 0.95 -0.62 -2.21 0.00 0.00 174.62 172.63 3hdg s ASP 59 N -0.92 6.41 0.00 8.08 2.15 -0.25 -0.69 116.67 131.44 3hdg s ASP 59 Ca -0.04 1.37 0.00 0.00 0.43 0.00 0.00 52.55 54.31 3hdg s ASP 59 Cb -0.06 -2.44 0.00 0.00 -0.30 0.00 0.00 42.92 40.12 3hdg s ASP 59 CO 0.00 -0.68 0.00 -0.38 -0.17 0.00 0.00 175.17 173.95 3hdg n ILE 60 N -2.10 0.00 -2.82 4.11 2.08 -1.26 -3.19 119.36 116.18 3hdg n ILE 60 Ca 0.05 0.48 -0.40 0.00 0.56 0.00 0.00 62.75 63.44 3hdg n ILE 60 Cb 0.54 -1.45 -0.06 0.00 -0.75 0.00 0.00 39.64 37.93 3hdg n ILE 60 CO 0.00 0.00 0.00 -0.13 0.56 0.00 0.00 176.55 176.98 3hdg s ARG 61 N -0.95 4.76 0.49 0.38 1.81 -1.26 0.19 118.95 124.36 3hdg s ARG 61 Ca 0.00 1.39 0.00 0.00 -1.72 0.00 0.00 55.73 55.40 3hdg s ARG 61 Cb 0.00 -3.28 0.01 0.00 -0.45 0.00 0.00 34.95 31.23 3hdg s ARG 61 CO 0.00 0.51 0.72 -2.14 -0.68 0.00 0.00 175.30 173.71 3hdg s PRO 63 N -1.07 2.89 0.00 3.54 0.02 -1.26 -4.82 135.00 134.29 3hdg s PRO 63 Ca 0.40 -0.56 0.00 0.00 0.02 0.00 0.00 61.00 60.86 3hdg s PRO 63 Cb -0.25 -2.52 0.00 0.00 0.02 0.00 0.00 34.50 31.75 3hdg s PRO 63 CO 0.30 -0.44 0.00 1.63 -0.33 0.00 0.00 177.00 178.17 3hdg n LYS 64 N -2.19 0.00 -3.66 5.54 4.76 -1.26 -3.83 118.16 117.52 3hdg n LYS 64 Ca 0.04 0.00 -0.07 0.00 -2.87 0.00 0.00 58.31 55.41 3hdg n LYS 64 Cb 0.58 0.00 -0.08 0.00 -1.84 0.00 0.00 35.03 33.69 3hdg n LYS 64 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3hdg s LEU 65 N 0.00 -0.70 1.03 -0.35 2.96 -1.26 -4.90 118.68 115.46 3hdg s LEU 65 Ca 0.00 1.24 -0.12 0.00 -0.22 0.00 0.00 54.13 55.02 3hdg s LEU 65 Cb 0.00 1.83 0.21 0.00 0.50 0.00 0.00 46.19 48.73 3hdg s LEU 65 CO 0.00 -0.22 1.07 -0.83 -1.32 0.00 0.00 176.35 175.05 3hdg s GLY 66 N 2.13 1.58 0.13 7.98 0.00 -1.26 -0.69 107.32 117.18 3hdg s GLY 66 Ca -0.07 -0.14 -0.16 0.00 0.00 0.00 0.00 44.72 44.36 3hdg s GLY 66 CO -0.16 0.48 1.67 -1.33 0.00 0.00 0.00 173.10 173.76 3hdg h GLY 67 N -2.10 0.64 1.00 0.20 0.00 -0.22 -3.02 103.07 99.57 3hdg h GLY 67 Ca -0.55 -0.36 -0.07 0.00 0.00 0.00 0.00 47.33 46.35 3hdg h GLY 67 CO 0.53 0.34 0.02 1.41 0.00 0.00 0.00 176.54 178.84 3hdg h LEU 68 N 0.50 0.83 -1.70 3.11 3.38 -1.80 0.55 115.31 120.18 3hdg h LEU 68 Ca 0.13 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.81 3hdg h LEU 68 Cb 0.20 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3hdg h LEU 68 CO -0.01 0.92 0.00 -0.62 0.09 0.00 0.00 178.44 178.82 3hdg n GLU 69 N -4.35 0.13 0.00 1.13 1.02 -1.14 -0.38 120.64 117.05 3hdg n GLU 69 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 3hdg n GLU 69 Cb 0.30 -1.33 0.00 0.00 -0.02 0.00 0.00 31.44 30.39 3hdg n GLU 69 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3hdg n LEU 71 N 0.79 0.00 -0.26 -4.62 4.77 0.18 -2.40 117.00 115.46 3hdg n LEU 71 Ca 0.00 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3hdg n LEU 71 Cb 0.06 0.00 0.12 0.00 -2.33 0.00 0.00 43.42 41.26 3hdg n LEU 71 CO 0.00 0.00 1.12 0.44 -1.33 0.00 0.00 177.39 177.62 3hdg h ASP 72 N 0.00 0.64 -0.38 -1.43 3.32 -0.97 0.10 116.42 117.70 3hdg h ASP 72 Ca 0.00 0.03 -0.10 0.00 0.02 0.00 0.00 57.03 56.98 3hdg h ASP 72 Cb 0.00 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 3hdg h ASP 72 CO 0.00 0.40 -0.15 0.03 -1.72 0.00 0.00 179.24 177.81 3hdg h ARG 73 N 0.77 0.77 -0.45 3.56 3.08 -1.74 -0.38 114.38 119.99 3hdg h ARG 73 Ca 0.33 -0.32 -0.08 0.00 0.07 0.00 0.00 59.98 59.98 3hdg h ARG 73 Cb 0.21 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 3hdg h ARG 73 CO -0.19 0.93 -0.07 0.82 -1.07 0.00 0.00 179.97 180.40 3hdg h ILE 74 N 0.57 1.25 -0.00 2.04 2.04 -1.75 -2.24 117.51 119.42 3hdg h ILE 74 Ca 0.09 -1.10 -0.23 0.00 1.00 0.00 0.00 64.86 64.61 3hdg h ILE 74 Cb 0.68 0.98 0.01 0.00 -0.74 0.00 0.00 36.82 37.75 3hdg h ILE 74 CO 0.05 0.38 -0.96 0.11 0.00 0.00 0.00 178.15 177.73 3hdg h LYS 75 N 0.71 0.47 -0.94 2.37 1.79 -0.77 -2.90 116.57 117.31 3hdg h LYS 75 Ca 0.13 -0.51 0.06 0.00 -2.18 0.00 0.00 60.65 58.15 3hdg h LYS 75 Cb 0.53 0.14 -0.06 0.00 -1.58 0.00 0.00 32.23 31.27 3hdg h LYS 75 CO 0.03 1.15 0.61 0.00 -1.08 0.00 0.00 179.45 180.17 3hdg h ALA 76 N 0.67 1.46 0.00 3.86 0.00 -0.86 0.35 119.26 124.74 3hdg h ALA 76 Ca -0.09 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3hdg h ALA 76 Cb 1.60 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3hdg h ALA 76 CO 0.17 0.41 0.00 0.41 0.00 0.00 0.00 179.25 180.24 3hdg n GLY 77 N -1.38 -0.54 2.06 0.00 0.00 -0.86 -4.83 105.19 99.63 3hdg n GLY 77 Ca 0.14 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3hdg n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hdg n GLY 78 N 0.07 1.21 3.79 -0.02 0.00 0.11 -5.04 105.19 105.32 3hdg n GLY 78 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 3hdg n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hdg s ALA 79 N -3.17 3.11 -0.45 4.61 0.00 -1.10 -5.02 121.76 119.74 3hdg s ALA 79 Ca 0.00 0.58 0.07 0.00 0.00 0.00 0.00 51.96 52.61 3hdg s ALA 79 Cb 0.00 -3.22 0.24 0.00 0.00 0.00 0.00 23.12 20.14 3hdg s ALA 79 CO 0.00 -0.02 0.54 1.63 0.00 0.00 0.00 175.76 177.91 3hdg n LYS 80 N 0.01 1.03 -1.92 0.00 5.02 -1.26 -4.24 118.16 116.79 3hdg n LYS 80 Ca 0.04 -3.54 -0.31 0.00 -2.02 0.00 0.00 58.31 52.49 3hdg n LYS 80 Cb 0.51 -1.52 0.01 0.00 -0.02 0.00 0.00 35.03 34.01 3hdg n LYS 80 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3hdg s PRO 81 N -1.26 3.53 0.13 1.97 0.04 -1.26 -5.01 135.00 133.13 3hdg s PRO 81 Ca 0.35 0.69 -0.30 0.00 0.04 0.00 0.00 61.00 61.78 3hdg s PRO 81 Cb 0.14 -2.09 -0.07 0.00 0.04 0.00 0.00 34.50 32.51 3hdg s PRO 81 CO -0.11 -0.59 1.24 0.71 0.04 0.00 0.00 177.00 178.29 3hdg s TYR 82 N -3.17 3.39 -0.05 0.56 2.02 -0.27 -4.92 117.35 114.91 3hdg s TYR 82 Ca 0.55 1.29 0.05 0.00 -0.37 0.00 0.00 57.07 58.59 3hdg s TYR 82 Cb -0.11 -3.48 -0.01 0.00 -0.40 0.00 0.00 41.96 37.97 3hdg s TYR 82 CO 0.53 -1.46 -0.22 0.08 -1.57 0.00 0.00 175.55 172.91 3hdg s VAL 83 N 0.57 1.79 -0.14 0.71 1.01 -1.26 -1.23 120.40 121.85 3hdg s VAL 83 Ca 0.57 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.65 3hdg s VAL 83 Cb -0.32 -1.52 0.01 0.00 0.00 0.00 0.00 36.38 34.55 3hdg s VAL 83 CO 0.33 0.50 -0.20 -0.63 0.00 0.00 0.00 175.10 175.10 3hdg s ILE 84 N -0.08 1.93 -0.26 2.22 1.01 -0.01 -0.82 121.20 125.18 3hdg s ILE 84 Ca -0.04 -0.89 -0.10 0.00 0.00 0.00 0.00 60.65 59.62 3hdg s ILE 84 Cb -0.13 -1.73 -0.05 0.00 0.01 0.00 0.00 42.46 40.57 3hdg s ILE 84 CO 0.03 0.52 0.17 -0.69 0.00 0.00 0.00 174.94 174.97 3hdg s VAL 85 N 0.98 5.22 -0.69 2.92 1.01 0.11 -1.17 120.40 128.78 3hdg s VAL 85 Ca -0.04 0.14 -0.27 0.00 0.00 0.00 0.00 61.98 61.81 3hdg s VAL 85 Cb -0.15 -3.46 0.01 0.00 0.00 0.00 0.00 36.38 32.78 3hdg s VAL 85 CO -0.05 0.29 1.55 -0.63 0.00 0.00 0.00 175.10 176.26 3hdg s ILE 86 N 1.52 3.56 -0.02 2.22 1.01 0.14 -0.08 121.20 129.54 3hdg s ILE 86 Ca 0.07 0.30 -0.28 0.00 0.00 0.00 0.00 60.65 60.74 3hdg s ILE 86 Cb -0.15 -4.48 -0.03 0.00 0.01 0.00 0.00 42.46 37.81 3hdg s ILE 86 CO 0.08 -1.43 0.88 -0.55 0.00 0.00 0.00 174.94 173.93 3hdg s SER 87 N 5.74 7.24 0.00 3.58 0.15 0.14 -4.19 113.70 126.36 3hdg s SER 87 Ca 0.50 1.50 0.00 0.00 0.70 0.00 0.00 55.95 58.65 3hdg s SER 87 Cb -0.10 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.69 3hdg s SER 87 CO 0.17 -0.21 0.00 0.00 1.20 0.00 0.00 173.24 174.40 3hdg n ALA 88 N 3.86 0.14 -1.18 5.45 0.00 -1.26 -2.32 120.51 125.20 3hdg n ALA 88 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.10 3hdg n ALA 88 Cb 0.51 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.97 3hdg n ALA 88 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 3hdg n PHE 89 N -0.46 -3.04 0.59 0.00 1.16 -1.26 -4.93 117.46 109.52 3hdg n PHE 89 Ca 0.00 0.39 0.06 0.00 -1.87 0.00 0.00 57.45 56.03 3hdg n PHE 89 Cb 0.00 -1.60 -0.06 0.00 -1.61 0.00 0.00 39.48 36.20 3hdg n PHE 89 CO 0.00 0.00 0.00 -1.13 -1.87 0.00 0.00 176.76 173.76 3hdg n SER 90 N 2.52 0.67 0.00 5.98 3.41 -1.26 -5.09 113.62 119.85 3hdg n SER 90 Ca 0.07 -0.83 0.00 0.00 -0.26 0.00 0.00 58.87 57.84 3hdg n SER 90 Cb 0.46 0.95 0.00 0.00 -0.26 0.00 0.00 64.21 65.36 3hdg n SER 90 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3hdg n GLU 91 N -1.19 3.99 0.00 4.33 0.00 -1.26 -5.08 120.64 121.42 3hdg n GLU 91 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.19 3hdg n GLU 91 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.64 3hdg n GLU 91 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 3hdg n LYS 93 N 0.00 0.00 0.06 5.31 0.00 -1.26 -3.60 118.16 118.67 3hdg n LYS 93 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 58.31 58.30 3hdg n LYS 93 Cb 0.00 -0.20 0.26 0.00 0.00 0.00 0.00 35.03 35.09 3hdg n LYS 93 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.40 179.28 3hdg h TYR 94 N 0.00 0.39 -0.14 5.64 -1.99 -1.99 -2.41 116.97 116.48 3hdg h TYR 94 Ca 0.00 -0.08 -0.01 0.00 2.00 0.00 0.00 58.73 60.64 3hdg h TYR 94 Cb 0.00 -0.10 -0.01 0.00 2.00 0.00 0.00 36.73 38.63 3hdg h TYR 94 CO 0.00 0.59 0.03 0.35 -0.00 0.00 0.00 178.16 179.13 3hdg h PHE 95 N 0.31 0.23 -0.18 4.88 3.57 -1.99 0.78 116.94 124.55 3hdg h PHE 95 Ca 0.05 -0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.54 3hdg h PHE 95 Cb 0.63 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.29 3hdg h PHE 95 CO 0.01 0.39 0.04 0.82 -2.23 0.00 0.00 178.31 177.35 3hdg h ILE 96 N 0.01 0.94 -0.77 1.41 2.04 -1.87 -1.06 117.51 118.20 3hdg h ILE 96 Ca 0.04 -0.04 -0.03 0.00 1.00 0.00 0.00 64.86 65.83 3hdg h ILE 96 Cb 0.28 0.80 -0.04 0.00 -0.74 0.00 0.00 36.82 37.12 3hdg h ILE 96 CO 0.00 0.02 0.36 0.11 0.00 0.00 0.00 178.15 178.65 3hdg h LYS 97 N 0.12 1.11 -0.12 2.37 1.57 -1.38 -1.19 116.57 119.05 3hdg h LYS 97 Ca 0.08 -0.16 0.01 0.00 -1.87 0.00 0.00 60.65 58.70 3hdg h LYS 97 Cb 0.06 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 3hdg h LYS 97 CO -0.09 0.86 0.06 0.00 -0.57 0.00 0.00 179.45 179.70 3hdg h ALA 98 N 1.30 0.14 0.00 3.86 0.00 -0.29 -2.25 119.26 122.02 3hdg h ALA 98 Ca 0.27 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.09 3hdg h ALA 98 Cb 0.12 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3hdg h ALA 98 CO -0.03 -0.39 -0.40 -0.84 0.00 0.00 0.00 179.25 177.59 3hdg h ILE 99 N 0.13 1.09 0.00 0.00 3.07 -0.89 -1.64 117.51 119.28 3hdg h ILE 99 Ca 0.05 -1.46 -0.05 0.00 1.55 0.00 0.00 64.86 64.95 3hdg h ILE 99 Cb 0.01 1.83 -0.01 0.00 -0.27 0.00 0.00 36.82 38.38 3hdg h ILE 99 CO -0.03 0.39 -0.23 -0.33 -1.05 0.00 0.00 178.15 176.90 3hdg h GLU 100 N 0.00 0.00 -0.00 0.16 5.08 -0.91 -0.16 114.58 118.75 3hdg h GLU 100 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3hdg h GLU 100 Cb 0.80 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.05 3hdg h GLU 100 CO 0.05 0.23 -0.03 1.28 -1.00 0.00 0.00 179.01 179.54 3hdg n LEU 101 N -3.84 0.25 -0.93 1.33 4.77 -0.63 -4.93 117.00 113.02 3hdg n LEU 101 Ca -0.02 0.04 -0.06 0.00 -0.03 0.00 0.00 56.01 55.94 3hdg n LEU 101 Cb 0.32 -0.13 0.01 0.00 -2.33 0.00 0.00 43.42 41.29 3hdg n LEU 101 CO 0.34 0.04 -0.02 0.61 -1.33 0.00 0.00 177.39 177.04 3hdg n GLY 102 N 1.17 0.28 3.68 -0.72 0.00 -0.07 -5.00 105.19 104.53 3hdg n GLY 102 Ca 0.18 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 3hdg n GLY 102 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3hdg n VAL 103 N -3.71 2.27 0.45 1.61 0.31 -1.14 -4.85 118.33 113.27 3hdg n VAL 103 Ca -0.04 -0.50 0.12 0.00 -0.01 0.00 0.00 64.34 63.90 3hdg n VAL 103 Cb 0.54 -1.49 0.11 0.00 -0.91 0.00 0.00 33.84 32.09 3hdg n VAL 103 CO 0.00 0.00 0.00 0.45 -1.32 0.00 0.00 176.83 175.96 3hdg h HIS 104 N 2.21 0.00 -1.38 3.52 3.86 -1.35 -3.48 115.15 118.52 3hdg h HIS 104 Ca -0.46 0.00 0.13 0.00 -1.16 0.00 0.00 60.37 58.88 3hdg h HIS 104 Cb 1.30 0.00 -0.26 0.00 1.06 0.00 0.00 27.41 29.50 3hdg h HIS 104 CO 0.48 0.00 0.67 -1.17 0.86 0.00 0.00 177.93 178.77 3hdg s LEU 105 N -4.49 -0.27 -0.22 2.43 2.96 -1.03 -4.98 118.68 113.08 3hdg s LEU 105 Ca 0.04 0.39 -0.03 0.00 -0.22 0.00 0.00 54.13 54.31 3hdg s LEU 105 Cb 0.12 1.58 0.00 0.00 0.50 0.00 0.00 46.19 48.39 3hdg s LEU 105 CO 0.75 -0.18 -0.07 -0.36 -1.32 0.00 0.00 176.35 175.17 3hdg s PHE 106 N -0.57 2.94 -0.26 5.38 0.08 -1.26 0.10 117.98 124.39 3hdg s PHE 106 Ca 0.03 -1.14 -0.08 0.00 0.12 0.00 0.00 56.93 55.86 3hdg s PHE 106 Cb -0.02 -2.07 -0.03 0.00 -0.57 0.00 0.00 43.02 40.32 3hdg s PHE 106 CO -0.05 -0.62 0.09 -0.51 -0.10 0.00 0.00 175.22 174.03 3hdg s LEU 107 N 1.43 3.56 0.49 -0.37 1.43 0.89 -4.90 118.68 121.20 3hdg s LEU 107 Ca 0.05 -0.17 -0.21 0.00 -1.03 0.00 0.00 54.13 52.77 3hdg s LEU 107 Cb -0.14 -1.96 -0.08 0.00 0.03 0.00 0.00 46.19 44.04 3hdg s LEU 107 CO -0.05 -0.04 1.08 -2.16 0.23 0.00 0.00 176.35 175.42 3hdg s PRO 108 N 1.64 3.71 -0.02 1.29 0.04 -1.26 0.26 135.00 140.65 3hdg s PRO 108 Ca 0.06 1.51 -0.08 0.00 0.04 0.00 0.00 61.00 62.54 3hdg s PRO 108 Cb -0.15 -2.17 -0.05 0.00 0.04 0.00 0.00 34.50 32.17 3hdg s PRO 108 CO 0.05 -0.54 0.27 0.15 0.04 0.00 0.00 177.00 176.97 3hdg s LYS 109 N -3.08 3.61 0.28 4.56 1.02 -0.98 -3.10 119.74 122.05 3hdg s LYS 109 Ca 0.67 0.00 -0.29 0.00 0.02 0.00 0.00 55.97 56.37 3hdg s LYS 109 Cb -0.21 -3.12 -0.10 0.00 -0.52 0.00 0.00 37.83 33.88 3hdg s LYS 109 CO 0.25 0.68 1.24 -1.25 -0.92 0.00 0.00 175.35 175.34 3hdg s PRO 110 N -1.51 4.46 0.13 -1.68 0.04 -1.26 -5.02 135.00 130.16 3hdg s PRO 110 Ca 0.25 2.04 -0.32 0.00 0.04 0.00 0.00 61.00 63.00 3hdg s PRO 110 Cb -0.14 -3.14 -0.12 0.00 0.04 0.00 0.00 34.50 31.15 3hdg s PRO 110 CO 0.13 -0.07 1.78 -0.89 0.04 0.00 0.00 177.00 177.99 3hdg n ILE 111 N 1.35 0.24 -2.98 0.56 5.41 -1.18 -4.96 119.36 117.81 3hdg n ILE 111 Ca 0.01 -0.04 -0.43 0.00 1.00 0.00 0.00 62.75 63.29 3hdg n ILE 111 Cb 0.43 -1.98 -0.05 0.00 -0.71 0.00 0.00 39.64 37.32 3hdg n ILE 111 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 3hdg s GLU 112 N 2.17 3.36 0.27 0.38 2.02 -1.26 -4.95 118.70 120.69 3hdg s GLU 112 Ca 0.81 -0.20 -0.00 0.00 0.02 0.00 0.00 54.97 55.59 3hdg s GLU 112 Cb -0.53 -3.96 0.56 0.00 0.10 0.00 0.00 34.13 30.30 3hdg s GLU 112 CO 0.37 -1.15 1.75 -1.00 0.02 0.00 0.00 175.26 175.25 3hdg h PRO 113 N 9.00 0.54 -0.96 0.39 0.13 -1.99 -1.86 132.00 137.25 3hdg h PRO 113 Ca -0.25 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 64.84 3hdg h PRO 113 Cb 1.09 -0.12 -0.05 0.00 0.13 0.00 0.00 31.00 32.05 3hdg h PRO 113 CO 0.97 0.36 0.59 0.78 -0.23 0.00 0.00 178.00 180.47 3hdg h GLY 114 N 0.56 1.38 2.00 1.56 0.00 -2.04 -2.17 103.07 104.37 3hdg h GLY 114 Ca 0.48 -0.56 -0.13 0.00 0.00 0.00 0.00 47.33 47.12 3hdg h GLY 114 CO -0.40 0.55 -0.60 -0.09 0.00 0.00 0.00 176.54 176.00 3hdg h ARG 115 N 1.32 0.00 -0.83 4.80 2.43 -1.80 -2.21 114.38 118.09 3hdg h ARG 115 Ca 0.35 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.52 3hdg h ARG 115 Cb -0.08 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.47 3hdg h ARG 115 CO -0.07 0.60 0.00 -0.11 -1.51 0.00 0.00 179.97 178.88 3hdg n LEU 116 N -3.79 0.88 0.00 3.80 7.94 -0.77 -2.69 117.00 122.38 3hdg n LEU 116 Ca -0.01 -0.44 0.00 0.00 -1.11 0.00 0.00 56.01 54.45 3hdg n LEU 116 Cb 0.61 -0.27 0.00 0.00 0.53 0.00 0.00 43.42 44.28 3hdg n LEU 116 CO 0.42 0.18 0.00 -0.62 -1.11 0.00 0.00 177.39 176.25 3hdg n GLU 118 N 0.38 0.00 -0.09 1.96 1.02 -0.83 -2.23 120.64 120.84 3hdg n GLU 118 Ca 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.04 3hdg n GLU 118 Cb 0.18 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.57 3hdg n GLU 118 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 3hdg h THR 119 N 0.00 1.21 -0.56 2.62 2.02 -1.79 -1.64 112.91 114.78 3hdg h THR 119 Ca 0.00 -0.71 -0.03 0.00 0.77 0.00 0.00 66.41 66.44 3hdg h THR 119 Cb 0.00 1.15 -0.03 0.00 -1.74 0.00 0.00 68.15 67.53 3hdg h THR 119 CO 0.00 0.23 0.22 -0.07 0.37 0.00 0.00 175.52 176.27 3hdg h LEU 120 N 0.28 0.73 -0.66 2.58 3.38 -1.75 -1.40 115.31 118.47 3hdg h LEU 120 Ca 0.09 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 3hdg h LEU 120 Cb 0.28 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 3hdg h LEU 120 CO 0.00 0.66 0.20 -0.33 0.09 0.00 0.00 178.44 179.06 3hdg h GLU 121 N 0.79 1.03 -0.66 1.13 4.39 -1.77 -0.48 114.58 119.03 3hdg h GLU 121 Ca 0.19 -0.23 0.01 0.00 0.34 0.00 0.00 59.36 59.67 3hdg h GLU 121 Cb 0.16 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.63 3hdg h GLU 121 CO -0.02 0.91 0.44 -0.44 -1.16 0.00 0.00 179.01 178.74 3hdg h ASP 122 N 0.96 0.76 -0.60 1.42 3.32 -0.50 0.24 116.42 122.03 3hdg h ASP 122 Ca 0.21 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.22 3hdg h ASP 122 Cb 0.31 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.64 3hdg h ASP 122 CO -0.00 0.55 0.28 -0.26 -1.72 0.00 0.00 179.24 178.09 3hdg h PHE 123 N 0.89 0.89 -0.08 4.55 0.04 -0.88 -1.18 116.94 121.16 3hdg h PHE 123 Ca 0.24 -0.04 -0.01 0.00 2.80 0.00 0.00 57.97 60.97 3hdg h PHE 123 Cb -0.10 -0.28 -0.00 0.00 2.20 0.00 0.00 35.95 37.77 3hdg h PHE 123 CO -0.03 0.66 0.02 -0.09 -0.60 0.00 0.00 178.31 178.28 3hdg h ARG 124 N 0.89 0.13 -0.27 1.51 2.43 0.19 0.14 114.38 119.40 3hdg h ARG 124 Ca 0.22 -0.03 0.08 0.00 -0.81 0.00 0.00 59.98 59.43 3hdg h ARG 124 Cb 0.12 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 3hdg h ARG 124 CO -0.03 0.32 0.20 0.45 -1.51 0.00 0.00 179.97 179.40 3hdg h HIS 125 N -0.08 0.00 0.04 2.20 3.86 -0.09 -0.89 115.15 120.20 3hdg h HIS 125 Ca 0.03 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.13 3hdg h HIS 125 Cb 0.25 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.72 3hdg h HIS 125 CO 0.01 0.00 -0.50 0.82 0.86 0.00 0.00 177.93 179.12 3hdg h ILE 126 N 0.00 1.53 -0.87 2.45 2.04 -0.96 -3.32 117.51 118.37 3hdg h ILE 126 Ca 0.13 -2.37 0.13 0.00 1.00 0.00 0.00 64.86 63.75 3hdg h ILE 126 Cb 0.52 3.11 -0.07 0.00 -0.74 0.00 0.00 36.82 39.64 3hdg h ILE 126 CO -0.00 0.59 0.56 0.50 0.00 0.00 0.00 178.15 179.81 3hdg h LYS 127 N -0.81 0.71 -2.45 2.37 3.64 -0.62 -0.52 116.57 118.89 3hdg h LYS 127 Ca -0.11 -0.04 -0.18 0.00 -1.27 0.00 0.00 60.65 59.05 3hdg h LYS 127 Cb 1.25 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 32.87 3hdg h LYS 127 CO 0.00 0.47 0.32 1.28 -2.27 0.00 0.00 179.45 179.25 3hdg n LEU 128 N -4.55 3.93 -0.06 5.20 4.77 -0.37 -4.35 117.00 121.58 3hdg n LEU 128 Ca 0.16 -2.47 -0.10 0.00 -0.03 0.00 0.00 56.01 53.57 3hdg n LEU 128 Cb 0.41 -1.01 -0.03 0.00 -2.33 0.00 0.00 43.42 40.47 3hdg n LEU 128 CO 0.30 1.01 0.97 0.00 -1.33 0.00 0.00 177.39 178.34 3hdg h ALA 129 N 4.22 0.30 0.00 -1.18 0.00 -1.30 -3.35 119.26 117.96 3hdg h ALA 129 Ca 0.20 -0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.85 3hdg h ALA 129 Cb 0.92 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 3hdg h ALA 129 CO 0.49 -0.22 -1.42 0.36 0.00 0.00 0.00 179.25 178.46 3hdg n LYS 130 N -4.92 0.55 0.00 0.00 0.00 -1.26 -5.12 118.16 107.42 3hdg n LYS 130 Ca -0.03 0.48 0.04 0.00 -0.00 0.00 0.00 58.31 58.80 3hdg n LYS 130 Cb 0.03 -1.66 0.24 0.00 -0.00 0.00 0.00 35.03 33.64 3hdg n LYS 130 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79