#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 4.09 -0.09 0.00 2.96 -1.26 -5.01 118.68 119.38 3hdg s LEU 9 Ca 0.00 0.09 -0.25 0.00 -0.22 0.00 0.00 54.13 53.75 3hdg s LEU 9 Cb 0.00 -3.11 -0.03 0.00 0.50 0.00 0.00 46.19 43.55 3hdg s LEU 9 CO 0.00 -0.97 0.80 -0.54 -1.32 0.00 0.00 176.35 174.31 3hdg s LYS 10 N 3.54 4.41 -0.03 1.98 1.02 -1.26 -4.48 119.74 124.92 3hdg s LYS 10 Ca 0.34 1.03 0.06 0.00 0.02 0.00 0.00 55.97 57.42 3hdg s LYS 10 Cb -0.11 -3.49 -0.01 0.00 -0.52 0.00 0.00 37.83 33.70 3hdg s LYS 10 CO 0.24 -0.09 -0.20 0.42 -0.92 0.00 0.00 175.35 174.80 3hdg s ILE 11 N 1.30 1.58 -0.12 2.17 1.01 0.85 0.27 121.20 128.26 3hdg s ILE 11 Ca 0.40 -0.83 0.03 0.00 0.00 0.00 0.00 60.65 60.25 3hdg s ILE 11 Cb -0.18 -1.33 0.01 0.00 0.01 0.00 0.00 42.46 40.97 3hdg s ILE 11 CO 0.18 0.45 -0.20 -0.22 0.00 0.00 0.00 174.94 175.15 3hdg s LEU 12 N -0.27 1.97 -0.15 2.97 2.96 -0.19 -0.41 118.68 125.57 3hdg s LEU 12 Ca 0.03 -0.53 -0.05 0.00 -0.22 0.00 0.00 54.13 53.36 3hdg s LEU 12 Cb -0.10 -1.31 -0.03 0.00 0.50 0.00 0.00 46.19 45.25 3hdg s LEU 12 CO 0.01 0.08 0.01 -0.63 -1.32 0.00 0.00 176.35 174.49 3hdg s ILE 13 N 0.74 4.32 -0.27 6.68 1.01 0.66 -0.18 121.20 134.15 3hdg s ILE 13 Ca -0.10 -0.21 -0.01 0.00 0.00 0.00 0.00 60.65 60.33 3hdg s ILE 13 Cb -0.16 -2.90 0.08 0.00 0.01 0.00 0.00 42.46 39.50 3hdg s ILE 13 CO 0.01 0.51 0.06 -0.69 0.00 0.00 0.00 174.94 174.82 3hdg s VAL 14 N 0.10 0.98 -0.07 2.92 1.01 0.94 0.33 120.40 126.61 3hdg s VAL 14 Ca 0.02 -1.23 -0.03 0.00 0.00 0.00 0.00 61.98 60.74 3hdg s VAL 14 Cb -0.13 -1.60 0.04 0.00 0.00 0.00 0.00 36.38 34.69 3hdg s VAL 14 CO 0.02 -0.47 0.16 -0.70 0.00 0.00 0.00 175.10 174.11 3hdg s GLU 15 N 1.60 0.12 0.00 2.72 2.56 -0.56 -1.16 118.70 123.97 3hdg s GLU 15 Ca 0.05 0.38 0.29 0.00 0.00 0.00 0.00 54.97 55.69 3hdg s GLU 15 Cb -0.18 -0.14 1.36 0.00 2.00 0.00 0.00 34.13 37.17 3hdg s GLU 15 CO -0.17 -0.15 1.92 -0.40 -0.56 0.00 0.00 175.26 175.90 3hdg n ASP 16 N 4.08 0.68 -4.45 -1.70 5.75 -1.19 -4.05 116.55 115.68 3hdg n ASP 16 Ca -0.25 -1.01 -0.42 0.00 -0.01 0.00 0.00 54.79 53.10 3hdg n ASP 16 Cb 0.53 -0.02 -0.11 0.00 -1.03 0.00 0.00 41.12 40.49 3hdg n ASP 16 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3hdg s ASP 17 N -2.18 5.96 0.25 -1.12 2.15 -1.26 -4.97 116.67 115.50 3hdg s ASP 17 Ca 0.37 -0.83 -0.05 0.00 0.43 0.00 0.00 52.55 52.47 3hdg s ASP 17 Cb 0.21 -2.11 0.48 0.00 -0.30 0.00 0.00 42.92 41.20 3hdg s ASP 17 CO 0.40 -0.38 1.66 0.74 -0.17 0.00 0.00 175.17 177.42 3hdg h THR 18 N 5.68 0.42 -0.50 1.71 2.02 -1.99 0.16 112.91 120.42 3hdg h THR 18 Ca -0.28 -0.07 -0.05 0.00 0.77 0.00 0.00 66.41 66.78 3hdg h THR 18 Cb 1.12 0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 67.73 3hdg h THR 18 CO 0.69 0.03 0.10 0.44 0.37 0.00 0.00 175.52 177.16 3hdg h ASP 19 N 0.19 0.78 -0.02 4.18 3.32 -1.97 -1.15 116.42 121.75 3hdg h ASP 19 Ca 0.43 -0.25 -0.00 0.00 0.02 0.00 0.00 57.03 57.23 3hdg h ASP 19 Cb 0.77 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 40.11 3hdg h ASP 19 CO -0.59 0.83 0.01 0.00 -1.72 0.00 0.00 179.24 177.77 3hdg h ALA 20 N 0.98 0.03 0.00 3.45 0.00 -1.65 -2.15 119.26 119.93 3hdg h ALA 20 Ca 0.16 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.97 3hdg h ALA 20 Cb 0.37 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 3hdg h ALA 20 CO 0.01 -0.35 -0.22 -0.09 0.00 0.00 0.00 179.25 178.60 3hdg h ARG 21 N -0.19 -0.33 -0.01 0.00 2.43 -0.65 -0.74 114.38 114.89 3hdg h ARG 21 Ca 0.01 0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.11 3hdg h ARG 21 Cb 0.24 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 3hdg h ARG 21 CO 0.00 -0.22 -0.43 0.93 -1.51 0.00 0.00 179.97 178.74 3hdg h GLU 22 N -0.35 0.03 -0.46 0.20 5.08 -1.26 -0.41 114.58 117.41 3hdg h GLU 22 Ca 0.06 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.30 3hdg h GLU 22 Cb 0.42 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 3hdg h GLU 22 CO -0.20 0.45 -0.11 2.35 -1.00 0.00 0.00 179.01 180.50 3hdg h TRP 23 N 0.02 1.00 -0.37 4.33 7.01 -1.05 -1.65 115.95 125.24 3hdg h TRP 23 Ca -0.00 -0.22 -0.04 0.00 2.11 0.00 0.00 58.89 60.74 3hdg h TRP 23 Cb 0.77 -0.24 -0.01 0.00 -2.10 0.00 0.00 29.16 27.57 3hdg h TRP 23 CO 0.00 0.98 0.06 -0.07 -2.79 0.00 0.00 178.44 176.63 3hdg h LEU 24 N 0.73 0.59 -0.56 0.65 3.38 -0.73 -2.58 115.31 116.79 3hdg h LEU 24 Ca 0.12 -0.26 0.08 0.00 0.09 0.00 0.00 57.88 57.90 3hdg h LEU 24 Cb 0.66 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.20 3hdg h LEU 24 CO 0.05 0.70 0.22 0.28 0.09 0.00 0.00 178.44 179.77 3hdg h SER 25 N 0.46 0.25 0.80 -0.43 0.02 -0.93 -2.19 113.55 111.52 3hdg h SER 25 Ca 0.11 0.06 -0.04 0.00 -0.84 0.00 0.00 61.79 61.09 3hdg h SER 25 Cb 0.36 0.03 0.01 0.00 0.14 0.00 0.00 62.40 62.94 3hdg h SER 25 CO 0.01 0.16 -0.38 0.74 -1.14 0.00 0.00 176.83 176.21 3hdg h THR 26 N 0.42 0.13 -0.23 -2.27 2.02 -1.10 0.10 112.91 111.98 3hdg h THR 26 Ca 0.27 -0.13 -0.03 0.00 0.77 0.00 0.00 66.41 67.29 3hdg h THR 26 Cb 0.29 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.83 3hdg h THR 26 CO -0.26 0.01 -0.00 0.16 0.37 0.00 0.00 175.52 175.80 3hdg h ILE 27 N -1.19 1.15 -0.00 3.11 3.07 -1.48 -2.06 117.51 120.11 3hdg h ILE 27 Ca -0.11 -0.57 -0.00 0.00 1.55 0.00 0.00 64.86 65.73 3hdg h ILE 27 Cb 0.84 0.98 0.00 0.00 -0.27 0.00 0.00 36.82 38.37 3hdg h ILE 27 CO 0.18 0.19 -0.00 0.40 -1.05 0.00 0.00 178.15 177.87 3hdg h ILE 28 N 0.33 1.51 0.00 0.16 2.04 -1.37 -3.07 117.51 117.10 3hdg h ILE 28 Ca 0.08 -1.50 0.00 0.00 1.00 0.00 0.00 64.86 64.44 3hdg h ILE 28 Cb 0.23 2.52 0.00 0.00 -0.74 0.00 0.00 36.82 38.84 3hdg h ILE 28 CO 0.01 0.39 0.02 0.77 0.00 0.00 0.00 178.15 179.34 3hdg h SER 29 N -0.63 0.00 -0.61 1.72 4.64 -0.61 0.57 113.55 118.64 3hdg h SER 29 Ca -0.00 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.38 3hdg h SER 29 Cb 0.64 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.68 3hdg h SER 29 CO 0.00 0.00 0.32 0.78 -0.87 0.00 0.00 176.83 177.06 3hdg h ASN 30 N 0.00 0.47 0.00 4.97 2.35 -1.27 -3.22 115.58 118.87 3hdg h ASN 30 Ca 0.00 0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.77 3hdg h ASN 30 Cb 0.04 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.35 3hdg h ASN 30 CO 0.00 0.31 -1.63 1.41 -1.65 0.00 0.00 177.43 175.87 3hdg n HIS 31 N -4.83 0.00 -4.08 1.19 8.25 -0.37 -4.94 115.22 110.44 3hdg n HIS 31 Ca 0.07 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.21 3hdg n HIS 31 Cb 0.17 -0.32 -0.15 0.00 1.12 0.00 0.00 29.99 30.80 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 -2.93 2.96 0.05 4.41 0.08 0.19 -5.03 117.98 117.71 3hdg s PHE 32 Ca -0.05 -1.98 -0.27 0.00 0.12 0.00 0.00 56.93 54.75 3hdg s PHE 32 Cb 0.09 -1.88 -0.17 0.00 -0.57 0.00 0.00 43.02 40.48 3hdg s PHE 32 CO 0.57 -0.83 1.52 -1.35 -0.10 0.00 0.00 175.22 175.02 3hdg h PRO 33 N 7.86 -0.42 -5.59 0.24 0.11 -1.85 -3.31 132.00 129.04 3hdg h PRO 33 Ca -0.30 0.03 -0.68 0.00 0.11 0.00 0.00 66.00 65.16 3hdg h PRO 33 Cb 1.08 0.10 -0.07 0.00 0.11 0.00 0.00 31.00 32.22 3hdg h PRO 33 CO 0.52 -0.20 2.34 0.39 -0.21 0.00 0.00 178.00 180.85 3hdg n GLU 34 N -5.22 3.15 -4.89 1.05 -0.58 -1.26 -4.94 120.64 107.95 3hdg n GLU 34 Ca -0.10 -3.18 -0.26 0.00 -0.42 0.00 0.00 57.16 53.19 3hdg n GLU 34 Cb 0.23 -3.47 -0.15 0.00 -0.57 0.00 0.00 31.44 27.48 3hdg n GLU 34 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3hdg s VAL 35 N 4.07 1.55 0.09 2.62 1.01 -1.26 -0.11 120.40 128.38 3hdg s VAL 35 Ca 0.53 -0.89 0.04 0.00 0.00 0.00 0.00 61.98 61.66 3hdg s VAL 35 Cb 0.05 -1.30 -0.03 0.00 0.00 0.00 0.00 36.38 35.10 3hdg s VAL 35 CO 0.06 0.39 -0.11 0.26 0.00 0.00 0.00 175.10 175.70 3hdg s TRP 36 N -0.52 1.09 0.00 5.22 0.51 0.46 -4.97 118.94 120.74 3hdg s TRP 36 Ca 0.07 -0.61 -0.00 0.00 -2.12 0.00 0.00 56.10 53.44 3hdg s TRP 36 Cb -0.08 -0.60 -0.01 0.00 -0.81 0.00 0.00 33.47 31.98 3hdg s TRP 36 CO -0.00 0.02 -0.00 -1.54 -0.51 0.00 0.00 176.95 174.92 3hdg s SER 37 N -2.29 0.08 0.15 2.95 1.04 -1.26 -0.24 113.70 114.13 3hdg s SER 37 Ca 0.04 -0.17 0.04 0.00 0.48 0.00 0.00 55.95 56.34 3hdg s SER 37 Cb -0.05 0.05 -0.05 0.00 0.10 0.00 0.00 66.02 66.08 3hdg s SER 37 CO 0.01 -0.12 -0.07 0.00 0.98 0.00 0.00 173.24 174.04 3hdg s ALA 38 N -0.55 1.42 -0.04 5.32 0.00 0.15 -4.94 121.76 123.13 3hdg s ALA 38 Ca -0.06 -1.52 0.18 0.00 0.00 0.00 0.00 51.96 50.56 3hdg s ALA 38 Cb -0.04 0.18 -0.28 0.00 0.00 0.00 0.00 23.12 22.98 3hdg s ALA 38 CO -0.00 -0.16 0.40 0.41 0.00 0.00 0.00 175.76 176.41 3hdg n GLY 39 N -0.21 -0.82 3.22 0.00 0.00 -1.26 -1.50 105.19 104.62 3hdg n GLY 39 Ca -0.09 -0.43 -0.10 0.00 0.00 0.00 0.00 46.02 45.40 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 -4.05 0.21 0.19 1.61 1.47 -1.26 -3.18 116.67 111.66 3hdg s ASP 40 Ca -0.06 -1.09 -0.12 0.00 1.18 0.00 0.00 52.55 52.45 3hdg s ASP 40 Cb 0.12 0.35 0.16 0.00 -0.34 0.00 0.00 42.92 43.21 3hdg s ASP 40 CO 0.75 -0.79 1.80 1.23 0.68 0.00 0.00 175.17 178.84 3hdg h GLY 41 N 2.75 0.81 0.50 2.12 0.00 -1.43 -0.38 103.07 107.43 3hdg h GLY 41 Ca -0.34 -0.22 0.04 0.00 0.00 0.00 0.00 47.33 46.81 3hdg h GLY 41 CO 0.55 0.15 -0.13 -2.09 0.00 0.00 0.00 176.54 175.02 3hdg h GLU 42 N 0.59 -0.15 -0.78 4.80 4.81 -1.83 0.42 114.58 122.43 3hdg h GLU 42 Ca 0.25 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.47 3hdg h GLU 42 Cb 0.12 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.50 3hdg h GLU 42 CO -0.15 -0.10 0.43 1.49 -0.73 0.00 0.00 179.01 179.94 3hdg h GLU 43 N -0.16 1.09 -0.53 1.92 4.81 -1.89 -2.05 114.58 117.78 3hdg h GLU 43 Ca 0.09 -0.12 -0.04 0.00 -0.13 0.00 0.00 59.36 59.16 3hdg h GLU 43 Cb 0.29 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 3hdg h GLU 43 CO -0.23 0.80 0.17 0.78 -0.73 0.00 0.00 179.01 179.80 3hdg h GLY 44 N 1.13 0.88 1.43 1.92 0.00 0.37 -1.07 103.07 107.72 3hdg h GLY 44 Ca 0.28 -0.52 -0.07 0.00 0.00 0.00 0.00 47.33 47.02 3hdg h GLY 44 CO -0.04 0.48 -0.02 -2.09 0.00 0.00 0.00 176.54 174.87 3hdg h GLU 45 N 0.72 0.70 -0.31 4.80 4.81 0.10 0.30 114.58 125.70 3hdg h GLU 45 Ca 0.17 -0.18 -0.05 0.00 -0.13 0.00 0.00 59.36 59.17 3hdg h GLU 45 Cb 0.27 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 3hdg h GLU 45 CO -0.01 0.73 0.01 -0.09 -0.73 0.00 0.00 179.01 178.92 3hdg h ARG 46 N 0.66 0.53 0.00 1.92 2.43 -1.04 -1.90 114.38 116.98 3hdg h ARG 46 Ca 0.13 -0.16 -0.08 0.00 -0.81 0.00 0.00 59.98 59.05 3hdg h ARG 46 Cb 0.43 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 3hdg h ARG 46 CO 0.02 0.66 -0.40 -0.07 -1.51 0.00 0.00 179.97 178.67 3hdg h LEU 47 N 0.34 0.00 -0.74 3.80 3.38 -0.94 -2.28 115.31 118.86 3hdg h LEU 47 Ca 0.09 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.93 3hdg h LEU 47 Cb 0.41 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3hdg h LEU 47 CO 0.01 0.40 -0.42 0.15 0.09 0.00 0.00 178.44 178.67 3hdg h PHE 48 N 0.00 0.54 -0.11 1.13 3.57 -0.66 -2.09 116.94 119.31 3hdg h PHE 48 Ca -0.00 -0.16 -0.14 0.00 3.53 0.00 0.00 57.97 61.20 3hdg h PHE 48 Cb 0.81 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.43 3hdg h PHE 48 CO 0.00 0.80 -0.54 0.78 -2.23 0.00 0.00 178.31 177.12 3hdg h GLY 49 N 1.13 0.35 0.76 2.40 0.00 -0.95 -0.21 103.07 106.55 3hdg h GLY 49 Ca 0.03 -0.40 -0.17 0.00 0.00 0.00 0.00 47.33 46.79 3hdg h GLY 49 CO 0.08 0.36 -0.72 1.41 0.00 0.00 0.00 176.54 177.66 3hdg h LEU 50 N 0.24 0.52 0.00 3.11 3.38 -1.24 -3.39 115.31 117.93 3hdg h LEU 50 Ca 0.00 -0.84 0.00 0.00 0.09 0.00 0.00 57.88 57.13 3hdg h LEU 50 Cb 1.03 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.62 3hdg h LEU 50 CO 0.09 1.31 -0.59 1.41 0.09 0.00 0.00 178.44 180.74 3hdg n HIS 51 N -4.16 0.00 -3.65 1.13 8.25 -0.80 -5.05 115.22 110.93 3hdg n HIS 51 Ca -0.12 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.09 3hdg n HIS 51 Cb 0.75 -0.01 0.01 0.00 1.12 0.00 0.00 29.99 31.86 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 -1.30 -2.69 -1.65 -1.41 0.00 -0.09 -4.91 120.51 108.46 3hdg n ALA 52 Ca 0.02 -0.09 -0.33 0.00 0.00 0.00 0.00 53.44 53.04 3hdg n ALA 52 Cb 0.19 -1.15 0.01 0.00 0.00 0.00 0.00 19.45 18.51 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 -4.23 3.26 0.14 0.00 0.04 -1.26 -4.95 135.00 128.00 3hdg s PRO 53 Ca 0.08 1.25 0.05 0.00 0.04 0.00 0.00 61.00 62.42 3hdg s PRO 53 Cb -0.01 -2.02 -0.10 0.00 0.04 0.00 0.00 34.50 32.41 3hdg s PRO 53 CO 0.88 -0.86 1.33 -0.44 0.04 0.00 0.00 177.00 177.95 3hdg h ASP 54 N 0.44 0.11 -4.36 6.66 3.32 -0.54 -3.45 116.42 118.61 3hdg h ASP 54 Ca -0.47 -0.10 -0.58 0.00 0.02 0.00 0.00 57.03 55.90 3hdg h ASP 54 Cb 1.22 -0.04 -0.28 0.00 0.22 0.00 0.00 39.33 40.46 3hdg h ASP 54 CO 0.57 1.00 -0.84 -0.69 -1.72 0.00 0.00 179.24 177.55 3hdg s VAL 55 N -2.93 1.57 -0.14 -1.35 1.01 -0.57 -0.15 120.40 117.83 3hdg s VAL 55 Ca -0.01 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 61.04 3hdg s VAL 55 Cb 0.10 -1.32 0.02 0.00 0.00 0.00 0.00 36.38 35.17 3hdg s VAL 55 CO 0.82 0.36 -0.17 -0.63 0.00 0.00 0.00 175.10 175.47 3hdg s ILE 56 N -0.57 1.76 -0.27 2.22 1.01 0.13 -1.03 121.20 124.44 3hdg s ILE 56 Ca 0.07 -0.77 -0.04 0.00 0.00 0.00 0.00 60.65 59.91 3hdg s ILE 56 Cb -0.08 -1.60 0.02 0.00 0.01 0.00 0.00 42.46 40.81 3hdg s ILE 56 CO 0.00 0.49 0.01 -0.63 0.00 0.00 0.00 174.94 174.81 3hdg s ILE 57 N 1.14 3.40 0.06 2.92 1.01 0.74 -0.24 121.20 130.22 3hdg s ILE 57 Ca -0.01 -0.89 0.02 0.00 0.00 0.00 0.00 60.65 59.76 3hdg s ILE 57 Cb -0.14 -2.75 -0.03 0.00 0.01 0.00 0.00 42.46 39.55 3hdg s ILE 57 CO -0.06 0.13 -0.07 0.28 0.00 0.00 0.00 174.94 175.22 3hdg s THR 58 N 1.40 0.55 0.55 2.92 -1.32 0.53 -0.04 115.64 120.23 3hdg s THR 58 Ca 0.01 -1.45 0.00 0.00 -1.21 0.00 0.00 61.69 59.04 3hdg s THR 58 Cb -0.17 -1.07 0.03 0.00 -1.51 0.00 0.00 72.50 69.78 3hdg s THR 58 CO -0.01 -0.63 0.78 -0.62 -2.21 0.00 0.00 174.62 171.94 3hdg s ASP 59 N -2.24 5.32 -0.02 8.08 2.15 -0.31 -0.91 116.67 128.74 3hdg s ASP 59 Ca -0.01 0.08 -0.02 0.00 0.43 0.00 0.00 52.55 53.03 3hdg s ASP 59 Cb -0.03 -1.00 -0.01 0.00 -0.30 0.00 0.00 42.92 41.59 3hdg s ASP 59 CO -0.02 -1.12 -0.05 -0.38 -0.17 0.00 0.00 175.17 173.43 3hdg n ILE 60 N -2.36 0.20 -2.67 4.11 5.41 -1.26 -3.77 119.36 119.02 3hdg n ILE 60 Ca 0.07 0.45 -0.40 0.00 1.00 0.00 0.00 62.75 63.87 3hdg n ILE 60 Cb 0.59 -1.62 -0.05 0.00 -0.71 0.00 0.00 39.64 37.86 3hdg n ILE 60 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 3hdg s ARG 61 N -1.26 4.75 0.33 0.38 1.81 -1.26 -0.64 118.95 123.06 3hdg s ARG 61 Ca -0.04 1.55 -0.00 0.00 -1.72 0.00 0.00 55.73 55.52 3hdg s ARG 61 Cb 0.01 -3.29 -0.04 0.00 -0.45 0.00 0.00 34.95 31.18 3hdg s ARG 61 CO 0.06 0.34 0.53 -2.14 -0.68 0.00 0.00 175.30 173.41 3hdg s PRO 63 N -0.79 3.51 0.00 3.54 0.02 -1.26 -4.92 135.00 135.10 3hdg s PRO 63 Ca 0.44 -0.30 0.00 0.00 0.02 0.00 0.00 61.00 61.16 3hdg s PRO 63 Cb -0.27 -2.68 0.00 0.00 0.02 0.00 0.00 34.50 31.58 3hdg s PRO 63 CO 0.33 0.18 0.00 1.63 -0.33 0.00 0.00 177.00 178.81 3hdg n LYS 64 N -1.57 0.00 -3.67 5.54 5.02 -1.26 -3.97 118.16 118.25 3hdg n LYS 64 Ca -0.04 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.15 3hdg n LYS 64 Cb 0.56 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.46 3hdg n LYS 64 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3hdg s LEU 65 N 0.00 -0.46 0.94 -0.35 2.96 -1.26 -4.89 118.68 115.62 3hdg s LEU 65 Ca 0.00 0.90 -0.11 0.00 -0.22 0.00 0.00 54.13 54.70 3hdg s LEU 65 Cb 0.00 1.23 0.16 0.00 0.50 0.00 0.00 46.19 48.08 3hdg s LEU 65 CO 0.00 -0.22 1.10 -0.83 -1.32 0.00 0.00 176.35 175.08 3hdg s GLY 66 N 2.32 1.64 0.30 7.98 0.00 -1.26 -1.62 107.32 116.67 3hdg s GLY 66 Ca -0.03 0.27 0.03 0.00 0.00 0.00 0.00 44.72 44.99 3hdg s GLY 66 CO -0.12 0.75 1.75 -1.33 0.00 0.00 0.00 173.10 174.16 3hdg h GLY 67 N -1.87 0.49 0.99 0.20 0.00 -0.97 -2.98 103.07 98.94 3hdg h GLY 67 Ca -0.48 -0.38 -0.13 0.00 0.00 0.00 0.00 47.33 46.34 3hdg h GLY 67 CO 0.47 0.35 -0.32 1.41 0.00 0.00 0.00 176.54 178.46 3hdg h LEU 68 N 0.41 0.78 -1.51 3.11 3.38 -1.83 -0.05 115.31 119.61 3hdg h LEU 68 Ca 0.07 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.55 3hdg h LEU 68 Cb 0.61 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3hdg h LEU 68 CO 0.04 1.10 0.00 -0.62 0.09 0.00 0.00 178.44 179.06 3hdg n GLU 69 N -4.23 0.13 0.00 1.13 4.71 -1.13 -0.98 120.64 120.27 3hdg n GLU 69 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.11 3hdg n GLU 69 Cb 0.49 -1.25 0.00 0.00 -1.01 0.00 0.00 31.44 29.67 3hdg n GLU 69 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 3hdg n LEU 71 N 0.69 0.00 -0.11 -4.62 4.77 -0.03 -1.90 117.00 115.78 3hdg n LEU 71 Ca 0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.91 3hdg n LEU 71 Cb 0.05 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.24 3hdg n LEU 71 CO 0.00 0.00 0.79 -0.78 -1.33 0.00 0.00 177.39 176.07 3hdg h ASP 72 N 0.00 0.82 -0.10 -1.43 1.82 -1.31 0.07 116.42 116.29 3hdg h ASP 72 Ca 0.00 -0.25 -0.21 0.00 -0.39 0.00 0.00 57.03 56.18 3hdg h ASP 72 Cb 0.00 -0.22 0.00 0.00 0.68 0.00 0.00 39.33 39.79 3hdg h ASP 72 CO 0.00 0.95 -0.71 0.03 -1.61 0.00 0.00 179.24 177.90 3hdg h ARG 73 N 0.75 0.74 -0.24 0.28 3.08 -1.63 -2.21 114.38 115.15 3hdg h ARG 73 Ca 0.12 -0.56 -0.03 0.00 0.07 0.00 0.00 59.98 59.59 3hdg h ARG 73 Cb 0.60 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.75 3hdg h ARG 73 CO 0.04 1.18 0.04 0.82 -1.07 0.00 0.00 179.97 180.97 3hdg h ILE 74 N 0.52 1.23 -0.88 2.04 2.04 -1.79 -3.08 117.51 117.59 3hdg h ILE 74 Ca -0.03 -0.77 -0.01 0.00 1.00 0.00 0.00 64.86 65.04 3hdg h ILE 74 Cb 1.32 1.28 -0.04 0.00 -0.74 0.00 0.00 36.82 38.63 3hdg h ILE 74 CO 0.14 0.24 0.50 0.11 0.00 0.00 0.00 178.15 179.14 3hdg h LYS 75 N 0.20 1.22 0.00 2.37 1.79 -1.00 -1.47 116.57 119.68 3hdg h LYS 75 Ca 0.07 -0.13 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 3hdg h LYS 75 Cb 0.33 -0.24 0.00 0.00 -1.58 0.00 0.00 32.23 30.74 3hdg h LYS 75 CO 0.01 0.88 0.00 0.00 -1.08 0.00 0.00 179.45 179.25 3hdg h ALA 76 N 1.32 1.00 -0.00 3.86 0.00 -1.31 0.19 119.26 124.32 3hdg h ALA 76 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3hdg h ALA 76 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3hdg h ALA 76 CO -0.05 0.00 -0.33 0.41 0.00 0.00 0.00 179.25 179.28 3hdg n GLY 77 N -1.06 -1.13 0.10 0.00 0.00 -0.55 -4.93 105.19 97.62 3hdg n GLY 77 Ca -0.02 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 1.44 0.71 3.82 -0.02 0.00 0.68 -5.08 105.19 106.74 3hdg n GLY 78 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.05 3.03 -0.38 4.61 0.00 -1.22 -5.03 121.76 120.73 3hdg s ALA 79 Ca 0.00 0.35 0.10 0.00 0.00 0.00 0.00 51.96 52.41 3hdg s ALA 79 Cb 0.00 -3.15 0.31 0.00 0.00 0.00 0.00 23.12 20.28 3hdg s ALA 79 CO 0.00 -0.02 0.64 1.63 0.00 0.00 0.00 175.76 178.01 3hdg n LYS 80 N -0.95 0.88 -1.97 0.00 5.02 -1.26 -4.49 118.16 115.39 3hdg n LYS 80 Ca 0.07 -3.33 -0.28 0.00 -2.02 0.00 0.00 58.31 52.75 3hdg n LYS 80 Cb 0.54 -1.50 0.09 0.00 -0.02 0.00 0.00 35.03 34.15 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 -1.89 1.89 0.00 1.97 0.04 -1.26 -5.03 135.00 130.72 3hdg s PRO 81 Ca 0.38 -0.02 -0.27 0.00 0.04 0.00 0.00 61.00 61.13 3hdg s PRO 81 Cb 0.27 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.78 3hdg s PRO 81 CO -0.09 -1.60 0.83 0.71 0.04 0.00 0.00 177.00 176.89 3hdg s TYR 82 N -3.54 3.67 -0.13 0.56 2.02 0.78 -4.92 117.35 115.81 3hdg s TYR 82 Ca 0.63 1.51 0.02 0.00 -0.37 0.00 0.00 57.07 58.86 3hdg s TYR 82 Cb -0.10 -2.94 -0.00 0.00 -0.40 0.00 0.00 41.96 38.52 3hdg s TYR 82 CO 0.48 0.12 -0.19 0.08 -1.57 0.00 0.00 175.55 174.47 3hdg s VAL 83 N 0.56 2.43 -0.16 0.71 1.01 -1.26 0.18 120.40 123.86 3hdg s VAL 83 Ca 0.43 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.55 3hdg s VAL 83 Cb -0.20 -1.98 0.01 0.00 0.00 0.00 0.00 36.38 34.21 3hdg s VAL 83 CO 0.24 0.54 -0.19 -0.63 0.00 0.00 0.00 175.10 175.06 3hdg s ILE 84 N 0.54 2.27 -0.26 2.22 1.01 0.67 -0.23 121.20 127.41 3hdg s ILE 84 Ca -0.12 -0.90 -0.11 0.00 0.00 0.00 0.00 60.65 59.53 3hdg s ILE 84 Cb -0.16 -1.94 -0.05 0.00 0.01 0.00 0.00 42.46 40.32 3hdg s ILE 84 CO 0.04 0.53 0.19 -0.69 0.00 0.00 0.00 174.94 175.01 3hdg s VAL 85 N 0.96 5.32 -0.56 2.92 1.01 -0.60 -0.34 120.40 129.11 3hdg s VAL 85 Ca -0.03 0.19 0.01 0.00 0.00 0.00 0.00 61.98 62.15 3hdg s VAL 85 Cb -0.15 -3.53 0.47 0.00 0.00 0.00 0.00 36.38 33.18 3hdg s VAL 85 CO -0.04 0.28 1.84 2.30 0.00 0.00 0.00 175.10 179.48 3hdg n ILE 86 N 4.77 3.34 -4.19 2.22 -5.35 -0.08 -0.13 119.36 119.94 3hdg n ILE 86 Ca -0.14 -3.11 -0.12 0.00 -0.27 0.00 0.00 62.75 59.11 3hdg n ILE 86 Cb 0.52 -1.07 -0.10 0.00 -1.74 0.00 0.00 39.64 37.25 3hdg n ILE 86 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 3hdg s SER 87 N -2.18 1.32 -0.09 7.28 0.15 -1.26 -4.11 113.70 114.80 3hdg s SER 87 Ca 0.61 -0.99 -0.01 0.00 0.70 0.00 0.00 55.95 56.26 3hdg s SER 87 Cb 0.48 0.06 0.03 0.00 -1.71 0.00 0.00 66.02 64.88 3hdg s SER 87 CO 0.01 -0.42 -0.03 0.00 1.20 0.00 0.00 173.24 174.00 3hdg s ALA 88 N -3.45 0.97 0.52 5.45 0.00 -1.26 -4.40 121.76 119.59 3hdg s ALA 88 Ca 0.12 -0.32 0.03 0.00 0.00 0.00 0.00 51.96 51.79 3hdg s ALA 88 Cb 0.04 -0.83 0.00 0.00 0.00 0.00 0.00 23.12 22.33 3hdg s ALA 88 CO -0.03 -0.47 0.17 -0.59 0.00 0.00 0.00 175.76 174.84 3hdg s PHE 89 N 1.86 1.81 -0.36 0.00 -0.12 -1.26 -5.03 117.98 114.89 3hdg s PHE 89 Ca 0.05 -0.89 0.13 0.00 -0.05 0.00 0.00 56.93 56.17 3hdg s PHE 89 Cb -0.13 -1.75 -0.17 0.00 -0.63 0.00 0.00 43.02 40.34 3hdg s PHE 89 CO -0.07 -0.05 0.44 0.43 -0.05 0.00 0.00 175.22 175.93 3hdg n SER 90 N -1.46 1.18 -4.29 1.98 7.64 -1.26 -5.07 113.62 112.34 3hdg n SER 90 Ca -0.11 -0.46 -0.29 0.00 1.01 0.00 0.00 58.87 59.01 3hdg n SER 90 Cb 0.66 1.26 0.18 0.00 -1.01 0.00 0.00 64.21 65.31 3hdg n SER 90 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 3hdg s GLU 91 N -2.53 0.22 0.00 1.43 8.01 -1.26 -5.02 118.70 119.55 3hdg s GLU 91 Ca 0.01 -0.01 0.00 0.00 0.01 0.00 0.00 54.97 54.98 3hdg s GLU 91 Cb 0.09 -1.76 0.00 0.00 -4.31 0.00 0.00 34.13 28.15 3hdg s GLU 91 CO 0.54 -2.76 0.00 0.36 0.01 0.00 0.00 175.26 173.41 3hdg n LYS 93 N -4.10 0.00 -0.02 1.61 0.00 -1.26 -2.06 118.16 112.33 3hdg n LYS 93 Ca 0.11 0.00 -0.14 0.00 -0.00 0.00 0.00 58.31 58.28 3hdg n LYS 93 Cb 0.59 0.00 -0.02 0.00 -0.00 0.00 0.00 35.03 35.60 3hdg n LYS 93 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.40 176.48 3hdg h TYR 94 N 0.00 0.93 0.07 5.58 -0.00 -1.98 -1.71 116.97 119.85 3hdg h TYR 94 Ca 0.00 -0.38 -0.00 0.00 -0.00 0.00 0.00 58.73 58.35 3hdg h TYR 94 Cb 0.00 -0.16 0.00 0.00 -0.00 0.00 0.00 36.73 36.57 3hdg h TYR 94 CO 0.00 1.18 -0.03 0.35 -0.00 0.00 0.00 178.16 179.66 3hdg h PHE 95 N 0.51 -0.08 -0.95 -3.82 3.57 -1.83 -0.65 116.94 113.69 3hdg h PHE 95 Ca -0.02 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.53 3hdg h PHE 95 Cb 1.27 0.03 -0.06 0.00 2.79 0.00 0.00 35.95 39.98 3hdg h PHE 95 CO 0.07 0.19 0.62 0.82 -2.23 0.00 0.00 178.31 177.78 3hdg h ILE 96 N -0.35 1.10 -0.61 1.41 1.08 -1.85 -0.30 117.51 117.99 3hdg h ILE 96 Ca -0.01 -0.39 -0.08 0.00 -0.39 0.00 0.00 64.86 64.00 3hdg h ILE 96 Cb 0.31 -0.13 -0.02 0.00 -3.07 0.00 0.00 36.82 33.90 3hdg h ILE 96 CO 0.01 0.21 0.07 0.50 -0.69 0.00 0.00 178.15 178.25 3hdg h LYS 97 N 1.13 1.01 0.51 2.37 1.63 -1.10 -0.49 116.57 121.63 3hdg h LYS 97 Ca 0.40 -0.27 -0.02 0.00 -0.85 0.00 0.00 60.65 59.91 3hdg h LYS 97 Cb 0.14 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 31.65 3hdg h LYS 97 CO -0.15 0.94 -0.24 0.00 -3.45 0.00 0.00 179.45 176.55 3hdg h ALA 98 N 1.13 -0.68 0.00 5.00 0.00 0.49 -0.51 119.26 124.70 3hdg h ALA 98 Ca 0.19 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3hdg h ALA 98 Cb 0.44 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3hdg h ALA 98 CO 0.02 -0.82 0.00 -0.84 0.00 0.00 0.00 179.25 177.60 3hdg h ILE 99 N -0.81 0.00 0.01 0.00 3.07 -1.16 -0.70 117.51 117.92 3hdg h ILE 99 Ca -0.07 -0.38 -0.00 0.00 1.55 0.00 0.00 64.86 65.96 3hdg h ILE 99 Cb 0.58 1.27 0.00 0.00 -0.27 0.00 0.00 36.82 38.40 3hdg h ILE 99 CO 0.11 0.00 -0.00 -0.08 -1.05 0.00 0.00 178.15 177.13 3hdg h GLU 100 N 0.00 -0.01 0.00 0.16 4.81 -0.69 -2.47 114.58 116.38 3hdg h GLU 100 Ca 0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3hdg h GLU 100 Cb 0.43 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.82 3hdg h GLU 100 CO 0.00 0.39 -0.01 -0.07 -0.73 0.00 0.00 179.01 178.59 3hdg h LEU 101 N -0.41 0.00 -0.94 1.64 3.38 -0.37 -3.48 115.31 115.13 3hdg h LEU 101 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hdg h LEU 101 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3hdg h LEU 101 CO 0.00 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.15 3hdg n GLY 102 N -0.31 -1.03 3.67 0.83 0.00 -0.34 -5.08 105.19 102.94 3hdg n GLY 102 Ca -0.01 -0.59 -0.30 0.00 0.00 0.00 0.00 46.02 45.12 3hdg n GLY 102 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hdg s VAL 103 N 0.00 3.95 -0.61 1.61 1.01 -1.24 -4.69 120.40 120.43 3hdg s VAL 103 Ca 0.00 -0.96 0.20 0.00 0.00 0.00 0.00 61.98 61.22 3hdg s VAL 103 Cb 0.00 -2.85 -0.26 0.00 0.00 0.00 0.00 36.38 33.27 3hdg s VAL 103 CO 0.00 0.16 0.71 1.41 0.00 0.00 0.00 175.10 177.38 3hdg n HIS 104 N 0.73 0.00 -3.63 5.22 8.25 0.68 -4.97 115.22 121.51 3hdg n HIS 104 Ca -0.12 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.27 3hdg n HIS 104 Cb 0.52 -0.18 -0.06 0.00 1.12 0.00 0.00 29.99 31.39 3hdg n HIS 104 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3hdg s LEU 105 N -3.50 -0.32 -0.25 2.41 2.96 -1.19 -5.02 118.68 113.77 3hdg s LEU 105 Ca 0.02 0.54 -0.03 0.00 -0.22 0.00 0.00 54.13 54.44 3hdg s LEU 105 Cb 0.15 1.66 0.02 0.00 0.50 0.00 0.00 46.19 48.51 3hdg s LEU 105 CO 0.84 -0.16 -0.03 -0.36 -1.32 0.00 0.00 176.35 175.33 3hdg s PHE 106 N -0.20 3.06 -0.70 5.38 0.08 -1.26 -1.56 117.98 122.78 3hdg s PHE 106 Ca 0.03 -1.31 0.05 0.00 0.12 0.00 0.00 56.93 55.82 3hdg s PHE 106 Cb -0.04 -2.11 0.22 0.00 -0.57 0.00 0.00 43.02 40.52 3hdg s PHE 106 CO -0.07 -0.66 0.68 -0.11 -0.10 0.00 0.00 175.22 174.96 3hdg n LEU 107 N 4.74 3.61 -4.76 -0.37 7.94 0.81 -4.97 117.00 124.00 3hdg n LEU 107 Ca -0.16 -5.33 -0.39 0.00 -1.11 0.00 0.00 56.01 49.02 3hdg n LEU 107 Cb 0.48 -0.75 0.03 0.00 0.53 0.00 0.00 43.42 43.71 3hdg n LEU 107 CO 0.28 1.90 1.01 -2.16 -1.11 0.00 0.00 177.39 177.31 3hdg s PRO 108 N -2.03 3.33 0.40 1.96 0.04 -1.26 -4.18 135.00 133.26 3hdg s PRO 108 Ca 0.33 2.30 -0.22 0.00 0.04 0.00 0.00 61.00 63.44 3hdg s PRO 108 Cb 0.06 -2.40 -0.10 0.00 0.04 0.00 0.00 34.50 32.10 3hdg s PRO 108 CO -0.08 -1.06 0.96 -1.59 0.04 0.00 0.00 177.00 175.27 3hdg s LYS 109 N -2.75 4.30 0.30 4.56 0.00 -1.26 -3.84 119.74 121.06 3hdg s LYS 109 Ca 0.68 1.21 -0.29 0.00 0.00 0.00 0.00 55.97 57.56 3hdg s LYS 109 Cb -0.42 -2.36 -0.10 0.00 0.00 0.00 0.00 37.83 34.95 3hdg s LYS 109 CO 0.51 0.03 1.38 -1.25 0.00 0.00 0.00 175.35 176.02 3hdg s PRO 110 N -2.85 4.29 0.08 1.78 0.04 -1.26 -4.93 135.00 132.16 3hdg s PRO 110 Ca 0.59 2.30 -0.30 0.00 0.04 0.00 0.00 61.00 63.62 3hdg s PRO 110 Cb -0.13 -3.07 -0.05 0.00 0.04 0.00 0.00 34.50 31.29 3hdg s PRO 110 CO 0.17 -0.32 1.07 0.42 0.04 0.00 0.00 177.00 178.38 3hdg s ILE 111 N -0.69 4.29 -0.99 0.56 1.01 -1.25 -5.00 121.20 119.13 3hdg s ILE 111 Ca 0.53 1.76 -0.16 0.00 0.00 0.00 0.00 60.65 62.79 3hdg s ILE 111 Cb -0.41 -4.13 0.17 0.00 0.01 0.00 0.00 42.46 38.10 3hdg s ILE 111 CO 0.51 0.20 1.13 -1.83 0.00 0.00 0.00 174.94 174.95 3hdg s GLU 112 N 0.49 3.76 0.23 2.79 -1.05 -1.26 -4.93 118.70 118.73 3hdg s GLU 112 Ca 0.52 -2.19 0.12 0.00 -0.15 0.00 0.00 54.97 53.27 3hdg s GLU 112 Cb -0.26 -4.83 0.81 0.00 -0.44 0.00 0.00 34.13 29.41 3hdg s GLU 112 CO 0.30 -1.64 1.03 -0.35 0.95 0.00 0.00 175.26 175.55 3hdg n PRO 113 N 5.57 -0.04 -0.10 -4.83 -0.04 -1.26 0.13 135.00 134.42 3hdg n PRO 113 Ca 0.25 0.91 -0.09 0.00 -0.04 0.00 0.00 63.50 64.54 3hdg n PRO 113 Cb 0.47 -1.60 -0.01 0.00 -0.04 0.00 0.00 33.50 32.31 3hdg n PRO 113 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 3hdg h GLY 114 N 0.00 0.48 1.27 0.55 0.00 -2.05 -2.75 103.07 100.57 3hdg h GLY 114 Ca 0.53 -0.18 -0.12 0.00 0.00 0.00 0.00 47.33 47.55 3hdg h GLY 114 CO -0.52 0.17 -0.24 0.07 0.00 0.00 0.00 176.54 176.02 3hdg h ARG 115 N 0.46 0.83 -0.02 4.80 0.11 -0.74 -1.60 114.38 118.22 3hdg h ARG 115 Ca 0.13 -0.35 0.00 0.00 0.10 0.00 0.00 59.98 59.85 3hdg h ARG 115 Cb -0.05 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 31.00 3hdg h ARG 115 CO -0.03 0.98 0.00 -0.11 0.10 0.00 0.00 179.97 180.91 3hdg n LEU 116 N -4.10 0.02 0.00 0.08 7.94 -1.04 -1.88 117.00 118.02 3hdg n LEU 116 Ca -0.00 -0.01 0.00 0.00 -1.11 0.00 0.00 56.01 54.89 3hdg n LEU 116 Cb 0.45 -0.01 0.00 0.00 0.53 0.00 0.00 43.42 44.39 3hdg n LEU 116 CO 0.45 0.01 0.00 -0.62 -1.11 0.00 0.00 177.39 176.12 3hdg n GLU 118 N -0.07 0.00 -0.17 1.96 1.02 -0.60 -1.75 120.64 121.03 3hdg n GLU 118 Ca 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.06 3hdg n GLU 118 Cb 0.01 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 31.43 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 1.20 -0.83 2.62 2.02 -1.63 -2.06 112.91 114.23 3hdg h THR 119 Ca 0.00 -0.60 -0.01 0.00 0.77 0.00 0.00 66.41 66.57 3hdg h THR 119 Cb 0.00 0.71 -0.04 0.00 -1.74 0.00 0.00 68.15 67.08 3hdg h THR 119 CO 0.00 0.23 0.49 -0.07 0.37 0.00 0.00 175.52 176.54 3hdg h LEU 120 N 0.63 1.01 -0.65 2.58 3.38 -1.61 -1.31 115.31 119.34 3hdg h LEU 120 Ca 0.16 -0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.11 3hdg h LEU 120 Cb 0.16 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.60 3hdg h LEU 120 CO -0.02 0.79 0.37 -0.33 0.09 0.00 0.00 178.44 179.34 3hdg h GLU 121 N 1.14 0.66 -0.72 1.13 4.39 -1.77 -1.42 114.58 117.99 3hdg h GLU 121 Ca 0.30 -0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.96 3hdg h GLU 121 Cb -0.03 -0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 28.44 3hdg h GLU 121 CO -0.05 0.44 0.48 -0.44 -1.16 0.00 0.00 179.01 178.27 3hdg h ASP 122 N 0.68 0.84 -0.59 1.42 5.19 -0.61 -0.23 116.42 123.13 3hdg h ASP 122 Ca 0.29 -0.03 -0.02 0.00 -0.62 0.00 0.00 57.03 56.65 3hdg h ASP 122 Cb 0.16 -0.21 -0.03 0.00 0.18 0.00 0.00 39.33 39.43 3hdg h ASP 122 CO -0.17 0.61 0.29 -0.26 -3.12 0.00 0.00 179.24 176.59 3hdg h PHE 123 N 0.98 0.86 0.00 4.55 0.04 -0.27 -1.35 116.94 121.75 3hdg h PHE 123 Ca 0.26 -0.03 -0.24 0.00 2.80 0.00 0.00 57.97 60.77 3hdg h PHE 123 Cb -0.11 -0.27 0.01 0.00 2.20 0.00 0.00 35.95 37.78 3hdg h PHE 123 CO -0.02 0.63 -0.97 0.07 -0.60 0.00 0.00 178.31 177.42 3hdg h ARG 124 N 0.87 0.48 -0.72 1.51 0.11 -0.83 -1.16 114.38 114.64 3hdg h ARG 124 Ca 0.21 -0.52 0.11 0.00 0.10 0.00 0.00 59.98 59.89 3hdg h ARG 124 Cb 0.09 0.15 -0.08 0.00 1.11 0.00 0.00 29.97 31.24 3hdg h ARG 124 CO -0.03 1.16 0.33 0.45 0.10 0.00 0.00 179.97 181.98 3hdg h HIS 125 N 0.27 0.59 0.24 4.08 3.86 -0.55 0.28 115.15 123.92 3hdg h HIS 125 Ca -0.09 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.14 3hdg h HIS 125 Cb 1.61 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 29.92 3hdg h HIS 125 CO 0.07 0.17 -0.12 0.82 0.86 0.00 0.00 177.93 179.74 3hdg h ILE 126 N 0.55 0.80 -0.69 2.45 2.04 -1.13 0.13 117.51 121.66 3hdg h ILE 126 Ca 0.37 -0.23 0.07 0.00 1.00 0.00 0.00 64.86 66.07 3hdg h ILE 126 Cb 0.45 0.94 -0.06 0.00 -0.74 0.00 0.00 36.82 37.40 3hdg h ILE 126 CO -0.31 0.05 0.37 0.50 0.00 0.00 0.00 178.15 178.76 3hdg h LYS 127 N -0.44 0.64 0.06 2.37 3.64 -0.32 -2.15 116.57 120.37 3hdg h LYS 127 Ca -0.03 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.30 3hdg h LYS 127 Cb 0.34 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 3hdg h LYS 127 CO 0.05 0.43 -0.03 -0.07 -2.27 0.00 0.00 179.45 177.56 3hdg h LEU 128 N 0.66 -0.07 -0.81 5.20 3.38 -0.36 0.12 115.31 123.44 3hdg h LEU 128 Ca 0.32 -0.11 0.11 0.00 0.09 0.00 0.00 57.88 58.29 3hdg h LEU 128 Cb 0.26 0.02 -0.13 0.00 0.09 0.00 0.00 40.66 40.91 3hdg h LEU 128 CO -0.22 0.06 -0.47 0.00 0.09 0.00 0.00 178.44 177.91 3hdg h ALA 129 N 0.72 -0.26 -0.95 1.53 0.00 -0.35 0.26 119.26 120.21 3hdg h ALA 129 Ca -0.01 0.16 -0.66 0.00 0.00 0.00 0.00 54.91 54.40 3hdg h ALA 129 Cb 0.18 1.09 -0.32 0.00 0.00 0.00 0.00 17.79 18.74 3hdg h ALA 129 CO 0.01 -0.81 0.54 0.36 0.00 0.00 0.00 179.25 179.35 3hdg n LYS 130 N -5.38 2.88 0.00 0.00 2.85 -0.93 -5.11 118.16 112.47 3hdg n LYS 130 Ca 0.04 -3.48 0.00 0.00 -1.05 0.00 0.00 58.31 53.82 3hdg n LYS 130 Cb 0.34 -2.29 0.00 0.00 -0.65 0.00 0.00 35.03 32.43 3hdg n LYS 130 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74