#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gun s ASN 2 N 0.00 -0.15 0.34 6.12 2.20 -1.26 -5.04 114.94 117.15 3gun s ASN 2 Ca 0.00 -0.76 0.01 0.00 -0.94 0.00 0.00 52.86 51.17 3gun s ASN 2 Cb 0.00 0.73 0.58 0.00 -2.00 0.00 0.00 41.25 40.56 3gun s ASN 2 CO 0.00 -1.39 2.00 -0.29 -2.94 0.00 0.00 177.10 174.48 3gun h ILE 3 N 2.00 1.18 0.03 0.54 6.09 -2.01 -0.21 117.51 125.12 3gun h ILE 3 Ca -0.24 -0.32 -0.00 0.00 -1.37 0.00 0.00 64.86 62.92 3gun h ILE 3 Cb 1.25 0.16 0.00 0.00 0.47 0.00 0.00 36.82 38.69 3gun h ILE 3 CO 0.30 0.17 -0.01 -0.26 -3.07 0.00 0.00 178.15 175.28 3gun h PHE 4 N 0.94 -0.03 -0.69 2.19 0.04 -1.99 -0.86 116.94 116.54 3gun h PHE 4 Ca 0.25 -0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.98 3gun h PHE 4 Cb -0.10 0.01 -0.03 0.00 2.20 0.00 0.00 35.95 38.03 3gun h PHE 4 CO -0.00 0.25 0.25 0.93 -0.60 0.00 0.00 178.31 179.13 3gun h GLU 5 N -0.31 1.04 0.02 1.51 5.08 -1.90 -0.09 114.58 119.92 3gun h GLU 5 Ca -0.00 -0.19 0.02 0.00 -1.00 0.00 0.00 59.36 58.18 3gun h GLU 5 Cb 0.29 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 3gun h GLU 5 CO 0.01 0.87 -0.12 1.98 -1.00 0.00 0.00 179.01 180.75 3gun h MET 6 N 1.01 -0.20 -0.25 2.33 4.05 -0.98 -1.01 114.93 119.88 3gun h MET 6 Ca 0.23 0.01 -0.12 0.00 -0.28 0.00 0.00 59.70 59.54 3gun h MET 6 Cb 0.24 0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.07 3gun h MET 6 CO -0.01 -0.13 -0.36 -0.07 0.23 0.00 0.00 176.91 176.56 3gun h LEU 7 N -0.21 0.58 -1.04 3.39 3.38 -1.00 -1.60 115.31 118.81 3gun h LEU 7 Ca 0.04 -0.24 0.05 0.00 0.09 0.00 0.00 57.88 57.82 3gun h LEU 7 Cb 0.26 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.78 3gun h LEU 7 CO -0.11 0.89 0.64 0.03 0.09 0.00 0.00 178.44 179.99 3gun h ARG 8 N 0.47 1.17 -0.29 1.13 3.08 -0.70 0.14 114.38 119.38 3gun h ARG 8 Ca 0.05 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 3gun h ARG 8 Cb 0.85 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 3gun h ARG 8 CO 0.07 0.77 0.10 0.82 -1.07 0.00 0.00 179.97 180.66 3gun h ILE 9 N 1.20 1.19 -0.19 2.04 2.04 -0.70 0.00 117.51 123.10 3gun h ILE 9 Ca 0.41 -0.61 -0.19 0.00 1.00 0.00 0.00 64.86 65.47 3gun h ILE 9 Cb 0.08 1.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.22 3gun h ILE 9 CO -0.14 0.20 -0.64 0.44 0.00 0.00 0.00 178.15 178.02 3gun h ASP 10 N 0.30 0.79 0.00 1.72 3.32 -0.97 -3.35 116.42 118.24 3gun h ASP 10 Ca 0.09 -0.46 -0.16 0.00 0.02 0.00 0.00 57.03 56.52 3gun h ASP 10 Cb 0.22 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 3gun h ASP 10 CO -0.00 1.23 -2.15 -0.62 -1.72 0.00 0.00 179.24 175.97 3gun n GLU 11 N -3.95 0.69 -0.80 3.56 -0.58 0.45 -4.84 120.64 115.18 3gun n GLU 11 Ca -0.05 -0.11 0.11 0.00 -0.42 0.00 0.00 57.16 56.69 3gun n GLU 11 Cb 0.66 -1.51 -0.03 0.00 -0.57 0.00 0.00 31.44 29.99 3gun n GLU 11 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3gun n GLY 12 N 1.50 -1.69 3.04 0.62 0.00 -0.01 -4.41 105.19 104.24 3gun n GLY 12 Ca -0.17 -1.32 -0.31 0.00 0.00 0.00 0.00 46.02 44.22 3gun n GLY 12 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3gun s LEU 13 N -4.99 4.15 -0.13 0.99 2.96 -1.26 -4.14 118.68 116.26 3gun s LEU 13 Ca 0.00 -1.80 -0.02 0.00 -0.22 0.00 0.00 54.13 52.09 3gun s LEU 13 Cb 0.00 -1.59 -0.02 0.00 0.50 0.00 0.00 46.19 45.07 3gun s LEU 13 CO 0.00 -0.29 -0.07 -0.13 -1.32 0.00 0.00 176.35 174.54 3gun s ARG 14 N 1.00 3.45 0.00 1.98 1.81 0.18 -4.98 118.95 122.38 3gun s ARG 14 Ca 0.02 -0.57 0.19 0.00 -1.72 0.00 0.00 55.73 53.64 3gun s ARG 14 Cb -0.19 -2.78 0.49 0.00 -0.45 0.00 0.00 34.95 32.01 3gun s ARG 14 CO -0.07 0.30 1.40 1.28 -0.68 0.00 0.00 175.30 177.54 3gun n LEU 15 N 3.31 3.50 -4.06 2.53 4.77 -1.26 0.40 117.00 126.19 3gun n LEU 15 Ca -0.18 -1.88 -0.19 0.00 -0.03 0.00 0.00 56.01 53.73 3gun n LEU 15 Cb 0.53 -0.36 -0.14 0.00 -2.33 0.00 0.00 43.42 41.12 3gun n LEU 15 CO 0.31 0.85 -0.44 -0.54 -1.33 0.00 0.00 177.39 176.24 3gun s LYS 16 N -1.07 0.81 -0.17 3.23 3.01 -1.26 -3.30 119.74 121.00 3gun s LYS 16 Ca 0.38 -0.46 -0.33 0.00 -1.01 0.00 0.00 55.97 54.55 3gun s LYS 16 Cb 0.20 -0.78 -0.10 0.00 -1.01 0.00 0.00 37.83 36.15 3gun s LYS 16 CO 0.27 0.21 2.03 -0.89 0.51 0.00 0.00 175.35 177.48 3gun n ILE 17 N 2.55 0.46 -4.29 2.17 5.41 -1.20 -4.76 119.36 119.70 3gun n ILE 17 Ca -0.15 -0.22 -0.17 0.00 1.00 0.00 0.00 62.75 63.21 3gun n ILE 17 Cb 0.56 -2.02 -0.10 0.00 -0.71 0.00 0.00 39.64 37.37 3gun n ILE 17 CO 0.00 0.00 0.00 -0.72 0.00 0.00 0.00 176.55 175.83 3gun s TYR 18 N 5.76 1.49 -0.13 1.39 1.13 -0.77 -4.95 117.35 121.27 3gun s TYR 18 Ca 0.98 -0.64 -0.20 0.00 -1.41 0.00 0.00 57.07 55.80 3gun s TYR 18 Cb -0.63 -0.73 -0.04 0.00 -1.10 0.00 0.00 41.96 39.47 3gun s TYR 18 CO 0.47 0.22 0.56 0.15 -2.51 0.00 0.00 175.55 174.44 3gun s LYS 19 N -3.53 4.32 0.94 -3.49 1.02 -1.26 -0.77 119.74 116.96 3gun s LYS 19 Ca 0.18 0.57 -0.13 0.00 0.02 0.00 0.00 55.97 56.61 3gun s LYS 19 Cb -0.00 -3.48 0.21 0.00 -0.52 0.00 0.00 37.83 34.03 3gun s LYS 19 CO 0.04 0.02 1.28 0.16 -0.92 0.00 0.00 175.35 175.93 3gun s ASP 20 N 0.85 3.14 0.29 2.83 -4.77 -0.15 -4.82 116.67 114.04 3gun s ASP 20 Ca 0.29 0.04 0.20 0.00 -3.30 0.00 0.00 52.55 49.77 3gun s ASP 20 Cb -0.16 -0.07 1.05 0.00 -1.09 0.00 0.00 42.92 42.65 3gun s ASP 20 CO 0.12 -2.70 1.60 0.00 0.70 0.00 0.00 175.17 174.89 3gun n GLU 22 N -2.18 2.20 -0.41 0.00 1.02 -1.26 -4.46 120.64 115.55 3gun n GLU 22 Ca -0.01 -1.76 0.00 0.00 -0.02 0.00 0.00 57.16 55.37 3gun n GLU 22 Cb 0.04 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 29.99 3gun n GLU 22 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gun n GLY 23 N 1.33 0.79 3.85 0.62 0.00 0.20 -5.07 105.19 106.91 3gun n GLY 23 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 3gun n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gun s TYR 24 N -2.09 3.54 0.01 1.61 2.02 -1.25 -4.67 117.35 116.52 3gun s TYR 24 Ca 0.00 0.48 -0.33 0.00 -0.37 0.00 0.00 57.07 56.84 3gun s TYR 24 Cb 0.00 -1.94 -0.12 0.00 -0.40 0.00 0.00 41.96 39.50 3gun s TYR 24 CO 0.00 0.68 1.81 0.66 -1.57 0.00 0.00 175.55 177.13 3gun n TYR 25 N 2.10 2.37 -3.83 2.71 4.01 -1.26 -0.98 117.16 122.29 3gun n TYR 25 Ca -0.20 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.45 3gun n TYR 25 Cb 0.55 -2.66 -0.08 0.00 -0.31 0.00 0.00 39.34 36.84 3gun n TYR 25 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 3gun s THR 26 N 3.18 0.12 0.22 -0.72 2.01 0.05 -1.56 115.64 118.93 3gun s THR 26 Ca 0.88 -0.98 -0.18 0.00 0.31 0.00 0.00 61.69 61.71 3gun s THR 26 Cb -0.64 -1.12 0.02 0.00 0.01 0.00 0.00 72.50 70.78 3gun s THR 26 CO 0.46 -0.54 0.56 -0.51 -0.69 0.00 0.00 174.62 173.90 3gun s ILE 27 N -3.21 0.02 0.00 1.82 2.07 -0.82 -1.85 121.20 119.22 3gun s ILE 27 Ca -0.00 -0.86 0.00 0.00 -1.41 0.00 0.00 60.65 58.38 3gun s ILE 27 Cb 0.02 -1.72 0.00 0.00 0.13 0.00 0.00 42.46 40.89 3gun s ILE 27 CO -0.07 -0.07 0.00 0.61 -1.91 0.00 0.00 174.94 173.50 3gun n GLY 28 N -0.37 2.86 3.07 1.50 0.00 0.16 -1.44 105.19 110.98 3gun n GLY 28 Ca -0.08 -0.24 -0.35 0.00 0.00 0.00 0.00 46.02 45.35 3gun n GLY 28 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gun s ILE 29 N 0.00 3.91 -1.71 -0.61 1.01 -1.26 0.50 121.20 123.04 3gun s ILE 29 Ca 0.00 -3.61 -0.01 0.00 0.00 0.00 0.00 60.65 57.02 3gun s ILE 29 Cb 0.00 -3.48 0.00 0.00 0.01 0.00 0.00 42.46 38.99 3gun s ILE 29 CO 0.00 -1.00 0.16 0.61 0.00 0.00 0.00 174.94 174.71 3gun n GLY 30 N 2.68 -0.51 3.56 6.18 0.00 -1.24 -4.83 105.19 111.03 3gun n GLY 30 Ca 0.16 0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 3gun n GLY 30 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3gun s HIS 31 N -3.07 2.74 -0.16 1.61 5.04 -0.52 -4.93 115.29 116.01 3gun s HIS 31 Ca 0.08 0.28 -0.29 0.00 -1.54 0.00 0.00 55.06 53.59 3gun s HIS 31 Cb -0.04 -4.26 -0.04 0.00 0.04 0.00 0.00 32.58 28.28 3gun s HIS 31 CO 0.10 -1.40 1.69 -1.17 -2.34 0.00 0.00 174.74 171.62 3gun s LEU 32 N 4.35 4.00 -0.06 8.88 2.96 -1.26 -1.95 118.68 135.60 3gun s LEU 32 Ca 0.38 1.85 -0.24 0.00 -0.22 0.00 0.00 54.13 55.90 3gun s LEU 32 Cb -0.10 -3.53 -0.25 0.00 0.50 0.00 0.00 46.19 42.81 3gun s LEU 32 CO 0.24 -1.22 0.98 -0.07 -1.32 0.00 0.00 176.35 174.96 3gun h LEU 33 N 11.53 0.26 -7.00 -0.68 3.38 -1.65 -3.49 115.31 117.66 3gun h LEU 33 Ca -0.36 -0.83 0.04 0.00 0.09 0.00 0.00 57.88 56.81 3gun h LEU 33 Cb 1.17 -0.08 -0.21 0.00 0.09 0.00 0.00 40.66 41.63 3gun h LEU 33 CO 0.98 1.05 0.42 0.28 0.09 0.00 0.00 178.44 181.27 3gun s THR 34 N -2.92 0.00 -2.20 0.22 -1.32 -1.24 -4.91 115.64 103.27 3gun s THR 34 Ca -0.16 0.00 0.18 0.00 -1.21 0.00 0.00 61.69 60.51 3gun s THR 34 Cb 0.01 -1.00 0.42 0.00 -1.51 0.00 0.00 72.50 70.42 3gun s THR 34 CO 0.75 0.00 1.45 0.29 -2.21 0.00 0.00 174.62 174.90 3gun n LYS 35 N 0.70 1.88 -2.69 7.08 5.02 -1.26 -4.24 118.16 124.65 3gun n LYS 35 Ca -0.13 -1.33 -0.35 0.00 -2.02 0.00 0.00 58.31 54.47 3gun n LYS 35 Cb 0.58 -1.38 -0.05 0.00 -0.02 0.00 0.00 35.03 34.16 3gun n LYS 35 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3gun s SER 36 N -1.37 6.91 0.00 4.39 0.15 -1.26 -4.99 113.70 117.54 3gun s SER 36 Ca 0.31 1.87 0.24 0.00 0.70 0.00 0.00 55.95 59.07 3gun s SER 36 Cb 0.17 -2.57 1.16 0.00 -1.71 0.00 0.00 66.02 63.07 3gun s SER 36 CO 0.24 -0.38 1.81 -0.81 1.20 0.00 0.00 173.24 175.30 3gun n PRO 37 N -0.18 0.22 -2.78 5.44 -0.04 -1.26 -4.81 135.00 131.58 3gun n PRO 37 Ca 0.05 0.07 -0.41 0.00 -0.04 0.00 0.00 63.50 63.17 3gun n PRO 37 Cb 0.51 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.42 3gun n PRO 37 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3gun s ASP 38 N -2.74 7.49 0.14 3.54 3.68 -1.26 -4.99 116.67 122.54 3gun s ASP 38 Ca 0.19 1.78 -0.03 0.00 2.13 0.00 0.00 52.55 56.62 3gun s ASP 38 Cb 0.16 -2.57 -0.07 0.00 -1.45 0.00 0.00 42.92 38.99 3gun s ASP 38 CO 0.40 0.02 1.33 0.25 0.13 0.00 0.00 175.17 177.29 3gun h LEU 39 N 5.16 0.48 -0.44 -1.34 5.85 -2.01 -3.21 115.31 119.81 3gun h LEU 39 Ca -0.44 -0.38 0.07 0.00 0.84 0.00 0.00 57.88 57.97 3gun h LEU 39 Cb 1.21 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 42.03 3gun h LEU 39 CO 0.70 1.18 0.08 0.78 -0.34 0.00 0.00 178.44 180.84 3gun h ASN 40 N 0.22 -0.01 -0.47 1.25 2.35 -2.00 -1.27 115.58 115.64 3gun h ASN 40 Ca -0.07 0.08 0.09 0.00 -0.55 0.00 0.00 56.30 55.85 3gun h ASN 40 Cb 1.54 0.11 -0.08 0.00 0.05 0.00 0.00 38.32 39.94 3gun h ASN 40 CO 0.16 0.03 -0.02 0.00 -1.65 0.00 0.00 177.43 175.95 3gun h ALA 41 N 1.34 0.43 -0.62 -0.83 0.00 -1.98 0.92 119.26 118.53 3gun h ALA 41 Ca 0.22 0.15 0.12 0.00 0.00 0.00 0.00 54.91 55.40 3gun h ALA 41 Cb 0.28 0.26 -0.10 0.00 0.00 0.00 0.00 17.79 18.23 3gun h ALA 41 CO -0.29 -0.40 0.07 0.00 0.00 0.00 0.00 179.25 178.63 3gun h ALA 42 N 1.43 0.68 -0.31 0.00 0.00 -1.26 0.58 119.26 120.37 3gun h ALA 42 Ca 0.24 0.16 -0.18 0.00 0.00 0.00 0.00 54.91 55.13 3gun h ALA 42 Cb 0.35 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 3gun h ALA 42 CO -0.41 -0.36 -0.50 0.87 0.00 0.00 0.00 179.25 178.86 3gun h LYS 43 N 0.19 0.89 -0.08 0.00 1.57 -0.54 0.13 116.57 118.72 3gun h LYS 43 Ca 0.33 -0.54 -0.22 0.00 -1.87 0.00 0.00 60.65 58.35 3gun h LYS 43 Cb 0.52 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.89 3gun h LYS 43 CO -0.47 1.18 -0.82 0.66 -0.57 0.00 0.00 179.45 179.42 3gun h SER 44 N 0.68 0.70 -0.43 0.86 4.64 -0.41 -1.86 113.55 117.74 3gun h SER 44 Ca 0.03 -0.49 0.04 0.00 -0.47 0.00 0.00 61.79 60.90 3gun h SER 44 Cb 1.10 -0.21 -0.04 0.00 -0.31 0.00 0.00 62.40 62.94 3gun h SER 44 CO 0.11 1.27 0.20 -0.33 -0.87 0.00 0.00 176.83 177.21 3gun h GLU 45 N 0.37 0.40 -0.25 4.77 4.39 0.23 -1.31 114.58 123.17 3gun h GLU 45 Ca -0.06 -0.02 0.03 0.00 0.34 0.00 0.00 59.36 59.65 3gun h GLU 45 Cb 1.44 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 29.97 3gun h GLU 45 CO 0.15 0.26 0.07 1.25 -1.16 0.00 0.00 179.01 179.58 3gun h LEU 46 N 0.41 0.05 -0.57 1.33 5.85 -0.59 -0.84 115.31 120.94 3gun h LEU 46 Ca 0.19 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.96 3gun h LEU 46 Cb 0.11 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 3gun h LEU 46 CO -0.15 0.06 0.37 0.44 -0.34 0.00 0.00 178.44 178.82 3gun h ASP 47 N 0.17 0.62 -0.80 1.25 5.19 -1.26 -1.18 116.42 120.41 3gun h ASP 47 Ca 0.11 -0.01 0.08 0.00 -0.62 0.00 0.00 57.03 56.59 3gun h ASP 47 Cb 0.10 -0.15 -0.07 0.00 0.18 0.00 0.00 39.33 39.40 3gun h ASP 47 CO -0.14 0.44 0.47 0.50 -3.12 0.00 0.00 179.24 177.40 3gun h LYS 48 N 0.74 0.79 -0.02 3.56 3.64 -1.15 0.49 116.57 124.64 3gun h LYS 48 Ca 0.22 -0.05 -0.18 0.00 -1.27 0.00 0.00 60.65 59.36 3gun h LYS 48 Cb -0.05 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.58 3gun h LYS 48 CO -0.06 0.53 -0.81 0.00 -2.27 0.00 0.00 179.45 176.83 3gun h ALA 49 N 1.42 0.60 0.10 5.00 0.00 -0.31 -3.32 119.26 122.75 3gun h ALA 49 Ca 0.37 -0.68 -0.34 0.00 0.00 0.00 0.00 54.91 54.26 3gun h ALA 49 Cb 0.28 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3gun h ALA 49 CO -0.22 0.87 -1.86 0.82 0.00 0.00 0.00 179.25 178.86 3gun h ILE 50 N 0.13 0.75 0.00 0.00 1.08 -1.13 -3.49 117.51 114.85 3gun h ILE 50 Ca -0.03 -2.49 0.00 0.00 -0.39 0.00 0.00 64.86 61.95 3gun h ILE 50 Cb 1.41 2.53 0.00 0.00 -3.07 0.00 0.00 36.82 37.69 3gun h ILE 50 CO 0.12 0.79 0.00 0.61 -0.69 0.00 0.00 178.15 178.98 3gun n GLY 51 N 1.84 1.03 3.80 5.37 0.00 0.15 -5.08 105.19 112.31 3gun n GLY 51 Ca -0.26 -0.45 -0.06 0.00 0.00 0.00 0.00 46.02 45.25 3gun n GLY 51 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3gun s ARG 52 N -1.78 1.60 -0.53 1.61 1.70 -1.20 -5.08 118.95 115.27 3gun s ARG 52 Ca 0.00 -0.87 -0.26 0.00 -0.47 0.00 0.00 55.73 54.14 3gun s ARG 52 Cb 0.00 0.56 0.03 0.00 -0.57 0.00 0.00 34.95 34.97 3gun s ARG 52 CO 0.00 -0.73 1.00 -0.80 -1.08 0.00 0.00 175.30 173.69 3gun s ASN 53 N -2.91 6.42 -0.00 -2.89 0.02 -1.26 -4.39 114.94 109.93 3gun s ASN 53 Ca 0.11 -0.08 -0.25 0.00 -1.02 0.00 0.00 52.86 51.61 3gun s ASN 53 Cb -0.05 -2.47 -0.18 0.00 0.02 0.00 0.00 41.25 38.57 3gun s ASN 53 CO 0.04 -1.24 1.31 0.00 0.02 0.00 0.00 177.10 177.23 3gun s ASN 55 N -5.47 6.88 0.00 0.00 -0.87 -1.26 -4.08 114.94 110.14 3gun s ASN 55 Ca -0.15 -2.66 0.00 0.00 -1.57 0.00 0.00 52.86 48.48 3gun s ASN 55 Cb 0.02 -2.33 0.00 0.00 -0.02 0.00 0.00 41.25 38.92 3gun s ASN 55 CO 0.63 -0.76 0.00 0.61 -2.57 0.00 0.00 177.10 175.01 3gun n GLY 56 N 4.40 0.44 3.15 0.66 0.00 -1.26 -5.03 105.19 107.56 3gun n GLY 56 Ca 0.25 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.06 3gun n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gun s VAL 57 N -1.96 1.18 0.19 1.61 1.01 -1.26 -3.27 120.40 117.89 3gun s VAL 57 Ca 0.00 -0.99 0.03 0.00 0.00 0.00 0.00 61.98 61.02 3gun s VAL 57 Cb 0.00 -1.05 -0.05 0.00 0.00 0.00 0.00 36.38 35.28 3gun s VAL 57 CO 0.00 0.05 -0.03 0.27 0.00 0.00 0.00 175.10 175.40 3gun s ILE 58 N -0.80 0.92 0.55 2.22 -4.36 -1.21 -4.75 121.20 113.77 3gun s ILE 58 Ca 0.03 -2.02 -0.10 0.00 -0.26 0.00 0.00 60.65 58.30 3gun s ILE 58 Cb -0.08 -2.13 -0.04 0.00 1.25 0.00 0.00 42.46 41.46 3gun s ILE 58 CO 0.01 -0.49 0.93 0.42 0.24 0.00 0.00 174.94 176.05 3gun s THR 59 N -3.49 4.76 0.33 8.37 -4.23 -1.26 -4.86 115.64 115.25 3gun s THR 59 Ca 0.24 0.69 0.00 0.00 -1.18 0.00 0.00 61.69 61.44 3gun s THR 59 Cb 0.05 -3.84 0.26 0.00 1.34 0.00 0.00 72.50 70.31 3gun s THR 59 CO 0.05 -0.96 1.98 0.50 -0.54 0.00 0.00 174.62 175.65 3gun h LYS 60 N 0.10 0.94 -0.46 3.99 3.64 -1.99 -0.79 116.57 121.99 3gun h LYS 60 Ca -0.45 -0.06 0.03 0.00 -1.27 0.00 0.00 60.65 58.89 3gun h LYS 60 Cb 1.19 -0.21 -0.04 0.00 -0.41 0.00 0.00 32.23 32.77 3gun h LYS 60 CO 0.62 0.63 0.25 -0.44 -2.27 0.00 0.00 179.45 178.24 3gun h ASP 61 N 0.97 0.37 -0.76 4.20 3.32 -1.99 -0.38 116.42 122.14 3gun h ASP 61 Ca 0.26 0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.27 3gun h ASP 61 Cb -0.09 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.37 3gun h ASP 61 CO -0.05 0.26 0.27 -0.33 -1.72 0.00 0.00 179.24 177.67 3gun h GLU 62 N 0.49 1.16 -0.66 3.56 5.08 -1.76 -1.95 114.58 120.50 3gun h GLU 62 Ca 0.19 -0.23 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 3gun h GLU 62 Cb 0.07 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.12 3gun h GLU 62 CO -0.12 0.96 0.31 0.00 -1.00 0.00 0.00 179.01 179.16 3gun h ALA 63 N 1.14 0.85 0.00 3.43 0.00 -0.74 -1.37 119.26 122.57 3gun h ALA 63 Ca 0.25 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 3gun h ALA 63 Cb 0.26 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3gun h ALA 63 CO -0.01 0.43 -0.44 0.93 0.00 0.00 0.00 179.25 180.16 3gun h GLU 64 N 0.92 0.00 0.05 0.00 4.39 -0.94 -0.36 114.58 118.63 3gun h GLU 64 Ca 0.23 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.92 3gun h GLU 64 Cb 0.14 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 3gun h GLU 64 CO -0.03 0.44 -0.02 -0.22 -1.16 0.00 0.00 179.01 178.02 3gun h LYS 65 N 0.00 -0.06 -0.64 2.33 3.64 -0.95 -1.52 116.57 119.37 3gun h LYS 65 Ca -0.00 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.42 3gun h LYS 65 Cb 0.82 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.61 3gun h LYS 65 CO 0.06 0.25 0.38 -0.07 -2.27 0.00 0.00 179.45 177.79 3gun h LEU 66 N -0.37 0.59 -0.09 5.20 3.38 -1.10 -1.76 115.31 121.16 3gun h LEU 66 Ca -0.01 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.01 3gun h LEU 66 Cb 0.34 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 3gun h LEU 66 CO 0.01 0.40 -0.12 0.15 0.09 0.00 0.00 178.44 178.97 3gun h PHE 67 N 0.72 -0.30 -0.78 1.13 3.57 -1.01 0.16 116.94 120.44 3gun h PHE 67 Ca 0.27 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.86 3gun h PHE 67 Cb 0.08 0.15 -0.07 0.00 2.79 0.00 0.00 35.95 38.90 3gun h PHE 67 CO -0.06 -0.18 0.45 -0.91 -2.23 0.00 0.00 178.31 175.38 3gun h ASN 68 N -0.16 0.66 -0.61 0.41 2.35 -1.06 -0.35 115.58 116.82 3gun h ASN 68 Ca 0.07 0.04 0.01 0.00 -0.55 0.00 0.00 56.30 55.87 3gun h ASN 68 Cb 0.26 -0.09 -0.03 0.00 0.05 0.00 0.00 38.32 38.51 3gun h ASN 68 CO -0.18 0.40 0.41 1.56 -1.65 0.00 0.00 177.43 177.96 3gun h GLN 69 N 0.79 0.80 -0.26 0.81 4.20 -0.80 -1.04 115.11 119.61 3gun h GLN 69 Ca 0.36 -0.05 -0.18 0.00 0.06 0.00 0.00 58.65 58.84 3gun h GLN 69 Cb 0.27 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.87 3gun h GLN 69 CO -0.21 0.53 -0.56 -0.44 -0.67 0.00 0.00 178.83 177.47 3gun h ASP 70 N 0.83 0.92 -0.27 1.46 3.32 0.05 -0.27 116.42 122.45 3gun h ASP 70 Ca 0.23 -0.50 -0.02 0.00 0.02 0.00 0.00 57.03 56.75 3gun h ASP 70 Cb -0.09 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.19 3gun h ASP 70 CO -0.05 1.29 0.07 0.58 -1.72 0.00 0.00 179.24 179.41 3gun h VAL 71 N 0.62 1.21 -0.99 -1.35 2.07 -0.98 -1.30 116.25 115.54 3gun h VAL 71 Ca 0.01 -0.67 0.11 0.00 0.82 0.00 0.00 66.70 66.97 3gun h VAL 71 Cb 1.16 1.14 -0.08 0.00 -1.52 0.00 0.00 31.29 31.99 3gun h VAL 71 CO 0.12 0.22 0.63 0.44 0.02 0.00 0.00 177.57 179.00 3gun h ASP 72 N 0.27 0.92 0.02 0.57 5.19 -1.05 -1.15 116.42 121.19 3gun h ASP 72 Ca 0.09 0.04 -0.15 0.00 -0.62 0.00 0.00 57.03 56.38 3gun h ASP 72 Cb 0.26 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 39.62 3gun h ASP 72 CO -0.00 0.51 -0.51 0.00 -3.12 0.00 0.00 179.24 176.12 3gun h ALA 73 N 1.53 0.74 -0.48 3.45 0.00 -0.79 -1.89 119.26 121.83 3gun h ALA 73 Ca 0.48 -0.49 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 3gun h ALA 73 Cb 0.43 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3gun h ALA 73 CO -0.24 0.68 0.01 0.00 0.00 0.00 0.00 179.25 179.70 3gun h ALA 74 N 1.01 0.65 -0.20 0.00 0.00 -0.24 0.91 119.26 121.38 3gun h ALA 74 Ca 0.02 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 3gun h ALA 74 Cb 1.04 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 3gun h ALA 74 CO 0.10 0.44 0.08 0.28 0.00 0.00 0.00 179.25 180.15 3gun h VAL 75 N 0.70 1.17 -0.46 0.00 2.07 -1.20 -1.87 116.25 116.66 3gun h VAL 75 Ca 0.14 -0.51 -0.05 0.00 0.82 0.00 0.00 66.70 67.10 3gun h VAL 75 Cb 0.49 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 3gun h VAL 75 CO 0.02 0.16 0.09 0.03 0.02 0.00 0.00 177.57 177.90 3gun h ARG 76 N 0.17 0.70 -0.85 1.57 3.08 -1.31 -0.90 114.38 116.84 3gun h ARG 76 Ca 0.07 -0.14 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 3gun h ARG 76 Cb 0.18 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.09 3gun h ARG 76 CO -0.00 0.65 0.52 0.78 -1.07 0.00 0.00 179.97 180.85 3gun h GLY 77 N 0.90 1.22 0.71 0.04 0.00 -0.53 -0.81 103.07 104.60 3gun h GLY 77 Ca 0.15 -0.50 -0.01 0.00 0.00 0.00 0.00 47.33 46.97 3gun h GLY 77 CO 0.00 0.48 -0.01 -2.22 0.00 0.00 0.00 176.54 174.79 3gun h ILE 78 N 1.16 1.28 0.00 2.60 2.04 -0.84 -2.84 117.51 120.91 3gun h ILE 78 Ca 0.31 -0.87 -0.02 0.00 1.00 0.00 0.00 64.86 65.28 3gun h ILE 78 Cb -0.07 1.72 -0.00 0.00 -0.74 0.00 0.00 36.82 37.73 3gun h ILE 78 CO -0.06 0.24 -0.08 -0.07 0.00 0.00 0.00 178.15 178.18 3gun h LEU 79 N -0.18 0.00 -1.71 1.44 3.38 -0.75 -2.38 115.31 115.10 3gun h LEU 79 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3gun h LEU 79 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3gun h LEU 79 CO 0.01 0.08 0.00 0.54 0.09 0.00 0.00 178.44 179.16 3gun n ARG 80 N -3.28 2.18 -3.69 1.13 1.74 -0.35 -4.79 116.66 109.60 3gun n ARG 80 Ca -0.00 -1.71 -0.37 0.00 -0.77 0.00 0.00 57.85 54.99 3gun n ARG 80 Cb 0.30 -1.47 -0.11 0.00 -1.02 0.00 0.00 32.46 30.16 3gun n ARG 80 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3gun s ASN 81 N -1.97 5.79 0.49 0.55 3.84 -0.90 -4.98 114.94 117.75 3gun s ASN 81 Ca 0.31 -0.02 0.21 0.00 0.21 0.00 0.00 52.86 53.57 3gun s ASN 81 Cb 0.20 -2.05 1.24 0.00 -0.55 0.00 0.00 41.25 40.09 3gun s ASN 81 CO 0.31 0.00 2.03 0.00 -2.79 0.00 0.00 177.10 176.65 3gun h ALA 82 N 7.98 1.45 0.13 1.71 0.00 -1.88 -0.51 119.26 128.15 3gun h ALA 82 Ca -0.37 -0.14 -0.29 0.00 0.00 0.00 0.00 54.91 54.11 3gun h ALA 82 Cb 1.18 -0.03 0.03 0.00 0.00 0.00 0.00 17.79 18.97 3gun h ALA 82 CO 0.59 0.20 -1.25 0.87 0.00 0.00 0.00 179.25 179.66 3gun h LYS 83 N 0.00 0.56 0.13 0.00 1.57 -1.93 -3.38 116.57 113.51 3gun h LYS 83 Ca -0.00 -0.77 -0.31 0.00 -1.87 0.00 0.00 60.65 57.70 3gun h LYS 83 Cb 0.34 0.26 -0.00 0.00 0.08 0.00 0.00 32.23 32.91 3gun h LYS 83 CO 0.02 1.34 -1.51 -0.07 -0.57 0.00 0.00 179.45 178.66 3gun h LEU 84 N 0.24 0.42 -0.03 2.94 3.38 -1.69 -3.38 115.31 117.19 3gun h LEU 84 Ca -0.18 -0.56 0.02 0.00 0.09 0.00 0.00 57.88 57.25 3gun h LEU 84 Cb 1.92 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 42.51 3gun h LEU 84 CO 0.23 1.47 -0.10 0.50 0.09 0.00 0.00 178.44 180.63 3gun h LYS 85 N 0.07 -0.15 0.00 1.13 3.64 -1.07 0.11 116.57 120.31 3gun h LYS 85 Ca -0.24 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.10 3gun h LYS 85 Cb 2.02 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.87 3gun h LYS 85 CO 0.17 -0.10 -0.23 -1.00 -2.27 0.00 0.00 179.45 176.02 3gun h PRO 86 N -0.15 0.00 0.02 1.90 0.13 -1.77 0.00 132.00 132.12 3gun h PRO 86 Ca 0.05 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.18 3gun h PRO 86 Cb 0.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.34 3gun h PRO 86 CO -0.12 0.23 -0.01 0.28 -0.23 0.00 0.00 178.00 178.15 3gun h VAL 87 N 0.00 1.40 -0.61 1.56 2.07 -1.58 -2.55 116.25 116.55 3gun h VAL 87 Ca -0.00 -1.33 0.13 0.00 0.82 0.00 0.00 66.70 66.31 3gun h VAL 87 Cb 0.42 2.30 -0.10 0.00 -1.52 0.00 0.00 31.29 32.38 3gun h VAL 87 CO 0.03 0.34 -0.01 0.22 0.02 0.00 0.00 177.57 178.17 3gun h TYR 88 N -0.60 -0.06 0.00 1.57 3.20 -0.58 -1.98 116.97 118.51 3gun h TYR 88 Ca -0.00 0.05 -0.04 0.00 3.14 0.00 0.00 58.73 61.87 3gun h TYR 88 Cb 0.57 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.96 3gun h TYR 88 CO 0.12 -0.17 -0.19 -0.44 -1.64 0.00 0.00 178.16 175.84 3gun h ASP 89 N 0.11 0.00 0.63 -2.11 3.32 -0.96 -1.71 116.42 115.70 3gun h ASP 89 Ca 0.32 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.35 3gun h ASP 89 Cb 0.51 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.06 3gun h ASP 89 CO -0.53 0.19 -0.08 0.77 -1.72 0.00 0.00 179.24 177.87 3gun h SER 90 N 0.00 0.00 -4.04 6.45 4.64 -0.92 -3.46 113.55 116.22 3gun h SER 90 Ca -0.00 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 60.85 3gun h SER 90 Cb 0.76 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.86 3gun h SER 90 CO 0.02 0.08 0.38 -0.76 -0.87 0.00 0.00 176.83 175.68 3gun s LEU 91 N -6.64 3.95 0.88 5.97 1.43 -0.65 -5.06 118.68 118.57 3gun s LEU 91 Ca -0.01 1.89 -0.12 0.00 -1.03 0.00 0.00 54.13 54.86 3gun s LEU 91 Cb 0.11 -4.45 0.12 0.00 0.03 0.00 0.00 46.19 42.00 3gun s LEU 91 CO 0.55 -0.59 1.11 1.51 0.23 0.00 0.00 176.35 179.16 3gun s ASP 92 N -1.92 3.72 0.17 2.29 -4.77 -1.26 -4.75 116.67 110.14 3gun s ASP 92 Ca 0.63 1.20 -0.16 0.00 -3.30 0.00 0.00 52.55 50.93 3gun s ASP 92 Cb -0.16 -1.86 0.13 0.00 -1.09 0.00 0.00 42.92 39.93 3gun s ASP 92 CO 0.20 -2.45 1.68 0.00 0.70 0.00 0.00 175.17 175.31 3gun h ALA 93 N -1.42 0.36 -0.24 2.11 0.00 -1.97 -0.57 119.26 117.54 3gun h ALA 93 Ca -0.50 0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.50 3gun h ALA 93 Cb 1.30 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 3gun h ALA 93 CO 0.59 -0.41 -0.04 0.28 0.00 0.00 0.00 179.25 179.67 3gun h VAL 94 N 0.07 1.28 -0.67 0.00 2.07 -1.93 -2.79 116.25 114.28 3gun h VAL 94 Ca 0.21 -1.03 0.08 0.00 0.82 0.00 0.00 66.70 66.78 3gun h VAL 94 Cb 0.31 1.47 -0.04 0.00 -1.52 0.00 0.00 31.29 31.51 3gun h VAL 94 CO -0.38 0.32 0.44 0.03 0.02 0.00 0.00 177.57 178.00 3gun h ARG 95 N 0.20 0.60 -1.92 1.57 3.08 -1.78 -2.32 114.38 113.80 3gun h ARG 95 Ca 0.06 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3gun h ARG 95 Cb 0.50 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.41 3gun h ARG 95 CO 0.02 0.40 0.00 0.54 -1.07 0.00 0.00 179.97 179.86 3gun n ARG 96 N -4.48 0.00 0.00 0.04 1.74 -0.24 -1.09 116.66 112.63 3gun n ARG 96 Ca 0.10 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.18 3gun n ARG 96 Cb 0.28 -1.41 0.00 0.00 -1.02 0.00 0.00 32.46 30.31 3gun n ARG 96 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3gun n ALA 98 N 1.08 0.00 0.03 7.54 0.00 -0.87 -1.60 120.51 126.69 3gun n ALA 98 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 3gun n ALA 98 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 3gun n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gun h ALA 99 N 0.00 0.03 -0.68 0.00 0.00 -1.40 0.24 119.26 117.45 3gun h ALA 99 Ca 0.00 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.93 3gun h ALA 99 Cb 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 3gun h ALA 99 CO 0.00 -0.48 0.44 0.82 0.00 0.00 0.00 179.25 180.03 3gun h ILE 100 N 0.03 1.14 0.06 0.00 2.04 -1.57 -1.46 117.51 117.75 3gun h ILE 100 Ca 0.01 -0.30 0.01 0.00 1.00 0.00 0.00 64.86 65.58 3gun h ILE 100 Cb -0.00 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.24 3gun h ILE 100 CO -0.00 0.16 -0.12 -1.13 0.00 0.00 0.00 178.15 177.05 3gun h ASN 101 N 0.88 -0.34 -0.72 1.72 -0.73 -1.76 0.96 115.58 115.60 3gun h ASN 101 Ca 0.26 0.04 0.11 0.00 1.87 0.00 0.00 56.30 58.58 3gun h ASN 101 Cb -0.05 0.13 -0.08 0.00 0.27 0.00 0.00 38.32 38.59 3gun h ASN 101 CO -0.08 -0.18 0.33 -0.08 -0.37 0.00 0.00 177.43 177.05 3gun h GLU 102 N -0.24 0.53 -0.26 6.67 4.81 -0.77 -0.57 114.58 124.75 3gun h GLU 102 Ca 0.02 -0.03 -0.18 0.00 -0.13 0.00 0.00 59.36 59.04 3gun h GLU 102 Cb 0.26 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.52 3gun h GLU 102 CO -0.08 0.35 -0.56 0.28 -0.73 0.00 0.00 179.01 178.27 3gun h VAL 103 N 0.54 1.29 -1.00 0.32 2.07 -1.01 -0.93 116.25 117.53 3gun h VAL 103 Ca 0.37 -1.76 0.11 0.00 0.82 0.00 0.00 66.70 66.23 3gun h VAL 103 Cb 0.44 1.68 -0.08 0.00 -1.52 0.00 0.00 31.29 31.81 3gun h VAL 103 CO -0.31 0.57 0.63 0.15 0.02 0.00 0.00 177.57 178.63 3gun h PHE 104 N 0.61 1.15 0.06 1.57 3.04 0.15 0.14 116.94 123.66 3gun h PHE 104 Ca 0.01 0.03 -0.21 0.00 3.98 0.00 0.00 57.97 61.78 3gun h PHE 104 Cb 1.16 -0.37 0.02 0.00 2.56 0.00 0.00 35.95 39.32 3gun h PHE 104 CO 0.07 0.49 -0.86 1.96 -2.02 0.00 0.00 178.31 177.94 3gun h GLN 105 N 1.03 0.47 0.00 1.11 4.20 -0.96 -3.40 115.11 117.57 3gun h GLN 105 Ca 0.48 -0.59 0.00 0.00 0.06 0.00 0.00 58.65 58.60 3gun h GLN 105 Cb 0.43 0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.39 3gun h GLN 105 CO -0.24 1.23 -1.29 -1.33 -0.67 0.00 0.00 178.83 176.53 3gun n MET 106 N -4.05 1.07 0.00 1.46 2.81 -0.37 -5.10 117.12 112.93 3gun n MET 106 Ca -0.12 -0.08 0.00 0.00 -1.81 0.00 0.00 57.70 55.69 3gun n MET 106 Cb 0.81 -1.22 0.00 0.00 -0.71 0.00 0.00 33.22 32.10 3gun n MET 106 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3gun n GLY 107 N 1.69 -2.10 0.13 3.03 0.00 0.49 -4.39 105.19 104.04 3gun n GLY 107 Ca -0.01 -1.43 -0.07 0.00 0.00 0.00 0.00 46.02 44.51 3gun n GLY 107 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3gun h VAL 108 N 0.00 0.77 -0.16 1.61 2.07 -1.94 -2.07 116.25 116.54 3gun h VAL 108 Ca 0.00 -0.02 0.01 0.00 0.82 0.00 0.00 66.70 67.50 3gun h VAL 108 Cb 0.00 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 3gun h VAL 108 CO 0.00 0.01 0.09 0.74 0.02 0.00 0.00 177.57 178.43 3gun h THR 109 N 0.06 1.02 -0.39 2.57 2.02 -1.97 0.73 112.91 116.95 3gun h THR 109 Ca 0.14 -0.06 0.03 0.00 0.77 0.00 0.00 66.41 67.28 3gun h THR 109 Cb 0.19 0.81 -0.03 0.00 -1.74 0.00 0.00 68.15 67.38 3gun h THR 109 CO -0.24 0.03 0.20 1.23 0.37 0.00 0.00 175.52 177.11 3gun h GLY 110 N 0.19 0.53 1.03 2.16 0.00 -1.74 -2.50 103.07 102.74 3gun h GLY 110 Ca 0.06 -0.14 -0.07 0.00 0.00 0.00 0.00 47.33 47.17 3gun h GLY 110 CO -0.03 0.11 0.09 -2.08 0.00 0.00 0.00 176.54 174.63 3gun h VAL 111 N 0.41 1.26 0.00 4.60 2.07 -1.06 -2.56 116.25 120.96 3gun h VAL 111 Ca 0.16 -1.00 0.00 0.00 0.82 0.00 0.00 66.70 66.68 3gun h VAL 111 Cb 0.06 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 3gun h VAL 111 CO -0.10 0.37 0.00 0.00 0.02 0.00 0.00 177.57 177.85 3gun n ALA 112 N -2.44 1.72 1.11 1.67 0.00 0.22 -2.27 120.51 120.52 3gun n ALA 112 Ca 0.03 -0.01 0.14 0.00 0.00 0.00 0.00 53.44 53.60 3gun n ALA 112 Cb 0.28 -1.30 0.62 0.00 0.00 0.00 0.00 19.45 19.04 3gun n ALA 112 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gun n GLY 113 N 0.12 -1.41 3.00 0.00 0.00 -0.96 -4.31 105.19 101.63 3gun n GLY 113 Ca 0.03 -0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 3gun n GLY 113 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3gun n PHE 114 N -1.43 3.09 -0.28 1.61 3.01 -0.96 -4.82 117.46 117.69 3gun n PHE 114 Ca 0.09 -2.85 -0.04 0.00 1.01 0.00 0.00 57.45 55.66 3gun n PHE 114 Cb 0.32 -1.76 0.08 0.00 -0.01 0.00 0.00 39.48 38.10 3gun n PHE 114 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 3gun h THR 115 N 3.74 1.16 -0.16 4.37 2.02 -1.86 -1.69 112.91 120.49 3gun h THR 115 Ca 0.32 -0.34 -0.02 0.00 0.77 0.00 0.00 66.41 67.14 3gun h THR 115 Cb 0.66 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 3gun h THR 115 CO 1.47 0.18 0.02 0.78 0.37 0.00 0.00 175.52 178.34 3gun h ASN 116 N 1.00 0.26 -0.70 4.18 4.21 -1.96 -2.45 115.58 120.11 3gun h ASN 116 Ca 0.29 -0.27 0.10 0.00 1.21 0.00 0.00 56.30 57.63 3gun h ASN 116 Cb -0.06 -0.07 -0.07 0.00 -1.12 0.00 0.00 38.32 36.99 3gun h ASN 116 CO -0.08 0.46 0.33 0.58 -1.29 0.00 0.00 177.43 177.43 3gun h VAL 117 N 0.04 0.81 -0.27 2.81 2.07 -1.78 -1.27 116.25 118.66 3gun h VAL 117 Ca 0.05 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.38 3gun h VAL 117 Cb 0.32 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 3gun h VAL 117 CO 0.00 0.10 0.18 -0.07 0.02 0.00 0.00 177.57 177.80 3gun h LEU 118 N 0.55 0.32 -0.63 2.57 3.38 -1.20 -0.77 115.31 119.53 3gun h LEU 118 Ca 0.35 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.28 3gun h LEU 118 Cb 0.40 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 3gun h LEU 118 CO -0.29 0.24 0.31 -0.09 0.09 0.00 0.00 178.44 178.70 3gun h ARG 119 N 0.36 0.89 -0.04 1.13 2.43 -1.01 -0.77 114.38 117.38 3gun h ARG 119 Ca 0.10 -0.12 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3gun h ARG 119 Cb -0.03 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.35 3gun h ARG 119 CO -0.02 0.70 0.02 0.52 -1.51 0.00 0.00 179.97 179.68 3gun h MET 120 N 0.86 0.06 -0.70 0.20 2.86 -0.96 -1.45 114.93 115.80 3gun h MET 120 Ca 0.22 -0.01 0.10 0.00 -2.06 0.00 0.00 59.70 57.94 3gun h MET 120 Cb 0.10 -0.01 -0.07 0.00 0.06 0.00 0.00 31.60 31.67 3gun h MET 120 CO -0.03 0.20 0.33 -0.07 1.06 0.00 0.00 176.91 178.41 3gun h LEU 121 N -0.09 0.41 -1.54 1.22 3.38 -1.09 0.11 115.31 117.71 3gun h LEU 121 Ca 0.01 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 3gun h LEU 121 Cb 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3gun h LEU 121 CO -0.00 0.23 0.03 -0.61 0.09 0.00 0.00 178.44 178.17 3gun h GLN 122 N 0.56 0.33 -0.29 1.13 4.15 -0.79 -1.73 115.11 118.46 3gun h GLN 122 Ca 0.35 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.73 3gun h GLN 122 Cb 0.40 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.03 3gun h GLN 122 CO -0.29 0.33 0.00 1.04 -1.93 0.00 0.00 178.83 177.98 3gun n GLN 123 N -4.38 1.88 -2.95 1.69 6.02 -0.58 -4.94 117.38 114.12 3gun n GLN 123 Ca 0.00 -1.34 -0.22 0.00 -0.01 0.00 0.00 57.00 55.43 3gun n GLN 123 Cb 0.17 -1.37 0.03 0.00 1.02 0.00 0.00 30.24 30.09 3gun n GLN 123 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3gun n LYS 124 N 0.57 -4.30 -2.71 -1.09 5.02 -0.56 -4.93 118.16 110.16 3gun n LYS 124 Ca 0.15 0.88 -0.43 0.00 -2.02 0.00 0.00 58.31 56.89 3gun n LYS 124 Cb 0.36 -5.70 0.00 0.00 -0.02 0.00 0.00 35.03 29.66 3gun n LYS 124 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3gun n ARG 125 N -3.85 3.62 -0.09 1.97 1.74 0.27 -4.86 116.66 115.45 3gun n ARG 125 Ca -0.12 -3.83 -0.10 0.00 -0.77 0.00 0.00 57.85 53.03 3gun n ARG 125 Cb 0.62 -2.89 -0.02 0.00 -1.02 0.00 0.00 32.46 29.14 3gun n ARG 125 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 3gun h TRP 126 N 6.29 0.42 -0.36 -1.55 -0.00 -1.89 -1.65 115.95 117.21 3gun h TRP 126 Ca 0.33 -0.02 0.01 0.00 -0.00 0.00 0.00 58.89 59.20 3gun h TRP 126 Cb 0.74 -0.13 -0.02 0.00 -0.00 0.00 0.00 29.16 29.75 3gun h TRP 126 CO 1.13 0.38 0.23 -0.44 -0.00 0.00 0.00 178.44 179.75 3gun h ASP 127 N 0.34 0.40 -0.68 -3.49 5.19 -1.89 -1.30 116.42 114.99 3gun h ASP 127 Ca 0.10 -0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 56.50 3gun h ASP 127 Cb 0.12 -0.10 -0.03 0.00 0.18 0.00 0.00 39.33 39.50 3gun h ASP 127 CO -0.01 0.29 0.41 -0.33 -3.12 0.00 0.00 179.24 176.48 3gun h GLU 128 N 0.47 0.92 -0.23 3.56 5.08 -1.95 0.09 114.58 122.52 3gun h GLU 128 Ca 0.13 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3gun h GLU 128 Cb -0.04 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.00 3gun h GLU 128 CO -0.04 0.65 0.15 0.00 -1.00 0.00 0.00 179.01 178.77 3gun h ALA 129 N 1.21 0.29 -0.70 3.43 0.00 -1.10 -0.94 119.26 121.47 3gun h ALA 129 Ca 0.24 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 3gun h ALA 129 Cb -0.03 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3gun h ALA 129 CO -0.05 -0.22 0.28 0.00 0.00 0.00 0.00 179.25 179.26 3gun h ALA 130 N 1.08 1.16 -0.51 0.00 0.00 -0.97 -0.62 119.26 119.40 3gun h ALA 130 Ca 0.08 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 3gun h ALA 130 Cb -0.03 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 3gun h ALA 130 CO -0.02 0.60 0.13 0.28 0.00 0.00 0.00 179.25 180.25 3gun h VAL 131 N 1.02 1.24 0.00 0.00 2.07 -0.64 -2.66 116.25 117.28 3gun h VAL 131 Ca 0.24 -0.84 -0.14 0.00 0.82 0.00 0.00 66.70 66.78 3gun h VAL 131 Cb 0.20 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 3gun h VAL 131 CO -0.02 0.31 -0.65 0.78 0.02 0.00 0.00 177.57 178.00 3gun h ASN 132 N 0.71 0.00 0.17 0.57 2.35 -0.76 -3.07 115.58 115.56 3gun h ASN 132 Ca 0.16 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.79 3gun h ASN 132 Cb 0.32 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 3gun h ASN 132 CO 0.00 0.65 -0.45 -0.07 -1.65 0.00 0.00 177.43 175.91 3gun h LEU 133 N 0.00 0.37 -0.33 1.61 3.38 -1.00 -2.53 115.31 116.81 3gun h LEU 133 Ca -0.01 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3gun h LEU 133 Cb 1.19 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.84 3gun h LEU 133 CO 0.08 0.77 0.00 0.00 0.09 0.00 0.00 178.44 179.38 3gun n ALA 134 N -2.48 1.42 -2.44 1.53 0.00 -1.02 -3.58 120.51 113.95 3gun n ALA 134 Ca -0.02 0.02 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 3gun n ALA 134 Cb 0.52 -1.22 0.01 0.00 0.00 0.00 0.00 19.45 18.76 3gun n ALA 134 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3gun n LYS 135 N -1.75 4.56 -3.89 0.00 5.02 -0.95 -4.76 118.16 116.39 3gun n LYS 135 Ca 0.02 -4.00 -0.10 0.00 -2.02 0.00 0.00 58.31 52.21 3gun n LYS 135 Cb 0.12 -2.63 -0.09 0.00 -0.02 0.00 0.00 35.03 32.41 3gun n LYS 135 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3gun s SER 136 N -0.40 0.10 0.22 4.39 1.04 -1.23 -5.03 113.70 112.79 3gun s SER 136 Ca 0.42 -0.42 -0.08 0.00 0.48 0.00 0.00 55.95 56.35 3gun s SER 136 Cb 0.14 0.25 0.22 0.00 0.10 0.00 0.00 66.02 66.72 3gun s SER 136 CO -0.04 -0.50 1.88 -0.09 0.98 0.00 0.00 173.24 175.47 3gun h ARG 137 N 3.68 1.01 -0.47 4.02 2.43 -1.92 -2.83 114.38 120.31 3gun h ARG 137 Ca -0.32 -0.06 0.09 0.00 -0.81 0.00 0.00 59.98 58.88 3gun h ARG 137 Cb 1.19 -0.23 -0.10 0.00 -0.42 0.00 0.00 29.97 30.41 3gun h ARG 137 CO 0.48 0.67 -0.24 2.35 -1.51 0.00 0.00 179.97 181.72 3gun h TRP 138 N 1.04 -0.63 -0.77 2.20 7.01 -1.96 -1.79 115.95 121.05 3gun h TRP 138 Ca 0.31 0.05 0.06 0.00 2.11 0.00 0.00 58.89 61.43 3gun h TRP 138 Cb -0.04 0.35 -0.06 0.00 -2.10 0.00 0.00 29.16 27.31 3gun h TRP 138 CO -0.02 -0.32 0.46 -0.92 -2.79 0.00 0.00 178.44 174.85 3gun h TYR 139 N -0.14 0.85 -0.16 2.65 3.20 -1.78 -0.91 116.97 120.68 3gun h TYR 139 Ca 0.22 0.03 -0.18 0.00 3.14 0.00 0.00 58.73 61.94 3gun h TYR 139 Cb 0.49 -0.27 -0.00 0.00 1.54 0.00 0.00 36.73 38.48 3gun h TYR 139 CO -0.51 0.43 -0.62 -0.91 -1.64 0.00 0.00 178.16 174.91 3gun h ASN 140 N 0.85 0.65 0.39 -2.11 2.35 -1.24 -3.16 115.58 113.31 3gun h ASN 140 Ca 0.34 -0.38 -0.31 0.00 -0.55 0.00 0.00 56.30 55.40 3gun h ASN 140 Cb 0.18 -0.19 -0.04 0.00 0.05 0.00 0.00 38.32 38.31 3gun h ASN 140 CO -0.18 1.11 -1.79 0.00 -1.65 0.00 0.00 177.43 174.92 3gun n GLN 141 N -3.93 0.66 -3.27 0.81 6.02 -0.73 -4.34 117.38 112.61 3gun n GLN 141 Ca -0.04 0.28 -0.27 0.00 -0.01 0.00 0.00 57.00 56.97 3gun n GLN 141 Cb 0.65 -1.77 -0.07 0.00 1.02 0.00 0.00 30.24 30.07 3gun n GLN 141 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3gun h PRO 143 N 3.79 0.53 -0.29 0.00 0.13 -1.74 -1.38 132.00 133.04 3gun h PRO 143 Ca 0.17 -0.03 -0.17 0.00 -0.87 0.00 0.00 66.00 65.10 3gun h PRO 143 Cb 0.63 -0.12 -0.00 0.00 0.13 0.00 0.00 31.00 31.64 3gun h PRO 143 CO 0.81 0.35 -0.48 -0.44 -0.23 0.00 0.00 178.00 178.01 3gun h ASP 144 N 0.54 0.87 -0.12 1.44 3.32 -1.94 0.23 116.42 120.77 3gun h ASP 144 Ca 0.16 -0.43 0.00 0.00 0.02 0.00 0.00 57.03 56.78 3gun h ASP 144 Cb -0.04 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.27 3gun h ASP 144 CO -0.05 1.20 0.00 -2.11 -1.72 0.00 0.00 179.24 176.56 3gun n ARG 145 N -4.02 1.37 -0.03 3.56 1.85 -1.22 -3.19 116.66 114.98 3gun n ARG 145 Ca -0.03 -0.56 -0.04 0.00 -1.00 0.00 0.00 57.85 56.22 3gun n ARG 145 Cb 0.58 -1.24 -0.03 0.00 -1.05 0.00 0.00 32.46 30.72 3gun n ARG 145 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3gun n ALA 146 N -0.15 2.00 -0.17 2.89 0.00 -0.52 -4.62 120.51 119.93 3gun n ALA 146 Ca 0.11 -0.24 0.03 0.00 0.00 0.00 0.00 53.44 53.33 3gun n ALA 146 Cb 0.17 0.38 0.30 0.00 0.00 0.00 0.00 19.45 20.30 3gun n ALA 146 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 3gun h LYS 147 N -0.04 0.85 -0.30 0.00 2.10 -1.01 -0.56 116.57 117.62 3gun h LYS 147 Ca -0.13 -0.05 -0.16 0.00 -2.00 0.00 0.00 60.65 58.31 3gun h LYS 147 Cb 1.19 -0.19 -0.00 0.00 -0.90 0.00 0.00 32.23 32.32 3gun h LYS 147 CO -0.03 0.56 -0.45 0.00 -2.00 0.00 0.00 179.45 177.54 3gun h ARG 148 N 0.88 0.82 -0.35 0.07 3.08 -1.80 -0.37 114.38 116.71 3gun h ARG 148 Ca 0.27 -0.49 -0.01 0.00 0.07 0.00 0.00 59.98 59.81 3gun h ARG 148 Cb -0.01 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 3gun h ARG 148 CO -0.07 1.13 0.17 0.28 -1.07 0.00 0.00 179.97 180.41 3gun h VAL 149 N 0.60 1.16 -0.64 2.04 2.07 -1.73 -1.56 116.25 118.18 3gun h VAL 149 Ca 0.03 -0.45 -0.07 0.00 0.82 0.00 0.00 66.70 67.03 3gun h VAL 149 Cb 1.05 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 3gun h VAL 149 CO 0.10 0.17 0.12 0.40 0.02 0.00 0.00 177.57 178.38 3gun h ILE 150 N 0.44 1.26 -0.07 4.57 2.04 -0.95 -1.72 117.51 123.07 3gun h ILE 150 Ca 0.12 -1.00 -0.05 0.00 1.00 0.00 0.00 64.86 64.94 3gun h ILE 150 Cb 0.11 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 3gun h ILE 150 CO -0.02 0.37 -0.18 0.74 0.00 0.00 0.00 178.15 179.07 3gun h THR 151 N 0.97 1.17 -0.28 -0.27 2.02 -0.95 -1.24 112.91 114.34 3gun h THR 151 Ca 0.20 -0.78 -0.14 0.00 0.77 0.00 0.00 66.41 66.47 3gun h THR 151 Cb 0.41 1.31 -0.00 0.00 -1.74 0.00 0.00 68.15 68.13 3gun h THR 151 CO 0.01 0.23 -0.35 0.74 0.37 0.00 0.00 175.52 176.52 3gun h THR 152 N 0.11 1.30 -0.37 3.16 2.02 -0.45 -0.35 112.91 118.33 3gun h THR 152 Ca 0.02 -1.54 0.00 0.00 0.77 0.00 0.00 66.41 65.66 3gun h THR 152 Cb 0.39 1.63 -0.02 0.00 -1.74 0.00 0.00 68.15 68.41 3gun h THR 152 CO 0.03 0.49 0.24 -0.26 0.37 0.00 0.00 175.52 176.39 3gun h PHE 153 N 0.47 0.47 -0.15 3.16 0.04 -0.71 0.96 116.94 121.18 3gun h PHE 153 Ca 0.03 0.01 -0.05 0.00 2.80 0.00 0.00 57.97 60.76 3gun h PHE 153 Cb 0.94 -0.16 -0.00 0.00 2.20 0.00 0.00 35.95 38.93 3gun h PHE 153 CO 0.08 0.30 -0.11 -0.09 -0.60 0.00 0.00 178.31 177.89 3gun h ARG 154 N 0.50 0.33 0.00 1.51 2.43 -0.62 -3.39 114.38 115.15 3gun h ARG 154 Ca 0.13 -0.16 -0.32 0.00 -0.81 0.00 0.00 59.98 58.82 3gun h ARG 154 Cb -0.05 -0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.44 3gun h ARG 154 CO -0.03 0.69 -2.14 0.25 -1.51 0.00 0.00 179.97 177.23 3gun n THR 155 N -4.60 1.36 -1.20 0.20 -2.24 -0.20 -4.80 114.28 102.80 3gun n THR 155 Ca -0.06 -0.81 -0.07 0.00 -2.27 0.00 0.00 64.05 60.84 3gun n THR 155 Cb 0.33 -0.60 -0.03 0.00 -2.10 0.00 0.00 70.33 67.94 3gun n THR 155 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gun n GLY 156 N 1.65 0.88 3.55 3.38 0.00 0.31 -5.04 105.19 109.93 3gun n GLY 156 Ca -0.26 -0.48 -0.26 0.00 0.00 0.00 0.00 46.02 45.02 3gun n GLY 156 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gun s THR 157 N -2.15 1.82 -2.06 2.61 -4.23 -1.26 -4.69 115.64 105.69 3gun s THR 157 Ca 0.00 -2.04 0.11 0.00 -1.18 0.00 0.00 61.69 58.58 3gun s THR 157 Cb 0.00 -2.86 0.29 0.00 1.34 0.00 0.00 72.50 71.27 3gun s THR 157 CO 0.00 -0.05 1.31 0.79 -0.54 0.00 0.00 174.62 176.12 3gun n TRP 158 N -0.85 0.25 0.11 3.99 7.02 -1.26 -4.55 117.44 122.14 3gun n TRP 158 Ca -0.04 -0.12 0.11 0.00 -1.02 0.00 0.00 57.50 56.42 3gun n TRP 158 Cb 0.66 0.00 0.60 0.00 -2.42 0.00 0.00 31.31 30.15 3gun n TRP 158 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 3gun h ASP 159 N 1.34 0.12 0.78 -0.99 5.19 -1.97 -0.98 116.42 119.90 3gun h ASP 159 Ca 0.00 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3gun h ASP 159 Cb 0.30 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 39.79 3gun h ASP 159 CO 0.00 0.08 0.00 0.00 -3.12 0.00 0.00 179.24 176.20 3gun n ALA 160 N -2.55 1.78 0.25 3.45 0.00 -1.26 -1.80 120.51 120.38 3gun n ALA 160 Ca 0.03 0.02 0.08 0.00 0.00 0.00 0.00 53.44 53.58 3gun n ALA 160 Cb 0.26 -1.36 0.14 0.00 0.00 0.00 0.00 19.45 18.49 3gun n ALA 160 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3gun n TYR 161 N -2.00 0.31 1.78 0.00 4.02 -0.38 -4.98 117.16 115.92 3gun n TYR 161 Ca 0.03 -0.23 0.15 0.00 -0.01 0.00 0.00 57.90 57.84 3gun n TYR 161 Cb 0.25 -0.01 0.76 0.00 -0.02 0.00 0.00 39.34 40.32 3gun n TYR 161 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02