#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s3g s ASN 2 N 0.00 6.32 0.18 3.17 0.01 -1.26 0.31 114.94 123.67 1s3g s ASN 2 Ca 0.00 -1.97 0.07 0.00 -0.71 0.00 0.00 52.86 50.25 1s3g s ASN 2 Cb 0.00 -2.22 -0.04 0.00 0.41 0.00 0.00 41.25 39.40 1s3g s ASN 2 CO 0.00 -0.81 0.03 -0.63 -1.51 0.00 0.00 177.10 174.17 1s3g s ILE 3 N 1.35 3.84 -0.09 0.60 1.01 0.13 -1.72 121.20 126.33 1s3g s ILE 3 Ca 0.07 -1.41 -0.03 0.00 0.00 0.00 0.00 60.65 59.29 1s3g s ILE 3 Cb -0.25 -2.95 0.04 0.00 0.01 0.00 0.00 42.46 39.31 1s3g s ILE 3 CO 0.00 -0.14 0.05 -0.69 0.00 0.00 0.00 174.94 174.17 1s3g s VAL 4 N -1.79 0.03 -0.44 2.92 1.01 -0.73 -1.12 120.40 120.28 1s3g s VAL 4 Ca 0.28 0.17 -0.16 0.00 0.00 0.00 0.00 61.98 62.27 1s3g s VAL 4 Cb -0.09 -0.38 0.04 0.00 0.00 0.00 0.00 36.38 35.95 1s3g s VAL 4 CO 0.20 0.06 0.38 -0.76 0.00 0.00 0.00 175.10 174.98 1s3g s LEU 5 N 2.10 5.27 0.37 3.92 1.43 0.35 -1.09 118.68 131.03 1s3g s LEU 5 Ca 0.04 -1.04 0.08 0.00 -1.03 0.00 0.00 54.13 52.18 1s3g s LEU 5 Cb -0.13 -2.22 -0.06 0.00 0.03 0.00 0.00 46.19 43.81 1s3g s LEU 5 CO -0.05 -0.58 0.05 0.00 0.23 0.00 0.00 176.35 176.00 1s3g s MET 6 N 1.80 2.09 0.00 1.70 0.23 -0.65 -2.29 119.30 122.17 1s3g s MET 6 Ca 0.06 -1.84 0.00 0.00 -1.03 0.00 0.00 55.69 52.89 1s3g s MET 6 Cb -0.21 -1.89 0.00 0.00 -1.53 0.00 0.00 34.83 31.20 1s3g s MET 6 CO 0.09 0.04 0.00 0.41 -2.03 0.00 0.00 175.02 173.54 1s3g n GLY 7 N -1.02 3.54 3.70 3.16 0.00 -1.26 -1.80 105.19 111.50 1s3g n GLY 7 Ca -0.04 -0.91 -0.31 0.00 0.00 0.00 0.00 46.02 44.76 1s3g n GLY 7 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s3g s LEU 8 N 0.00 2.95 -0.13 0.99 1.43 -1.26 -4.83 118.68 117.83 1s3g s LEU 8 Ca 0.00 2.13 -0.35 0.00 -1.03 0.00 0.00 54.13 54.88 1s3g s LEU 8 Cb 0.00 -4.56 -0.12 0.00 0.03 0.00 0.00 46.19 41.54 1s3g s LEU 8 CO 0.00 -2.76 1.87 -2.65 0.23 0.00 0.00 176.35 173.04 1s3g n PRO 9 N -3.89 1.98 -0.19 1.29 -0.02 -1.26 -1.24 135.00 131.67 1s3g n PRO 9 Ca 0.11 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 1s3g n PRO 9 Cb 0.52 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 1s3g n PRO 9 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s3g n GLY 10 N 4.44 0.84 0.08 -1.23 0.00 -1.26 -4.87 105.19 103.18 1s3g n GLY 10 Ca 0.24 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.36 1s3g n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s3g n ALA 11 N -1.44 1.72 -0.27 4.61 0.00 -0.37 -4.83 120.51 119.92 1s3g n ALA 11 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1s3g n ALA 11 Cb 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.10 1s3g n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s3g n GLY 12 N 0.12 1.70 0.21 0.00 0.00 -1.26 -4.90 105.19 101.05 1s3g n GLY 12 Ca 0.03 -0.13 -0.14 0.00 0.00 0.00 0.00 46.02 45.78 1s3g n GLY 12 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s3g h LYS 13 N 0.00 -0.43 -0.07 1.61 1.57 -1.91 -1.38 116.57 115.96 1s3g h LYS 13 Ca 0.00 0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1s3g h LYS 13 Cb 0.13 0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.53 1s3g h LYS 13 CO 0.00 -0.17 0.04 0.78 -0.57 0.00 0.00 179.45 179.53 1s3g h GLY 14 N -0.64 0.11 -0.32 3.86 0.00 -1.98 0.20 103.07 104.30 1s3g h GLY 14 Ca -0.05 -0.05 0.13 0.00 0.00 0.00 0.00 47.33 47.37 1s3g h GLY 14 CO 0.07 0.05 -0.16 -0.84 0.00 0.00 0.00 176.54 175.66 1s3g h THR 15 N 0.01 0.34 0.00 4.70 2.02 -1.94 0.37 112.91 118.42 1s3g h THR 15 Ca 0.02 -0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.15 1s3g h THR 15 Cb 0.09 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 66.83 1s3g h THR 15 CO -0.00 0.00 -0.27 1.56 0.37 0.00 0.00 175.52 177.18 1s3g h GLN 16 N 0.01 0.00 -0.28 6.66 1.08 -0.99 -3.21 115.11 118.37 1s3g h GLN 16 Ca 0.32 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.49 1s3g h GLN 16 Cb 0.49 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.91 1s3g h GLN 16 CO -0.68 0.27 0.07 0.00 -0.95 0.00 0.00 178.83 177.54 1s3g h ALA 17 N 1.73 0.37 -0.54 3.87 0.00 0.29 -2.16 119.26 122.82 1s3g h ALA 17 Ca -0.00 -0.17 0.10 0.00 0.00 0.00 0.00 54.91 54.84 1s3g h ALA 17 Cb 0.95 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 1s3g h ALA 17 CO 0.04 0.03 0.37 -0.44 0.00 0.00 0.00 179.25 179.25 1s3g h ASP 18 N 0.28 0.27 0.43 0.00 3.32 -1.22 -0.60 116.42 118.90 1s3g h ASP 18 Ca 0.09 0.01 -0.25 0.00 0.02 0.00 0.00 57.03 56.90 1s3g h ASP 18 Cb 0.29 -0.05 0.01 0.00 0.22 0.00 0.00 39.33 39.80 1s3g h ASP 18 CO 0.00 0.16 -1.07 0.03 -1.72 0.00 0.00 179.24 176.65 1s3g h ARG 19 N 0.30 0.37 -0.17 3.56 3.08 -1.61 -2.98 114.38 116.94 1s3g h ARG 19 Ca 0.25 -0.47 -0.14 0.00 0.07 0.00 0.00 59.98 59.68 1s3g h ARG 19 Cb 0.59 0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.78 1s3g h ARG 19 CO -0.06 1.16 -0.50 0.82 -1.07 0.00 0.00 179.97 180.32 1s3g h ILE 20 N 0.17 1.33 -0.16 2.04 2.04 -0.62 -3.07 117.51 119.25 1s3g h ILE 20 Ca -0.11 -1.73 -0.04 0.00 1.00 0.00 0.00 64.86 63.98 1s3g h ILE 20 Cb 1.74 1.75 -0.00 0.00 -0.74 0.00 0.00 36.82 39.56 1s3g h ILE 20 CO 0.18 0.53 -0.04 -0.37 0.00 0.00 0.00 178.15 178.45 1s3g h VAL 21 N 0.36 1.29 -0.15 1.67 -1.51 -1.20 -2.41 116.25 114.29 1s3g h VAL 21 Ca 0.02 -1.01 0.02 0.00 -1.23 0.00 0.00 66.70 64.49 1s3g h VAL 21 Cb 1.01 1.63 -0.03 0.00 -2.13 0.00 0.00 31.29 31.77 1s3g h VAL 21 CO 0.09 0.30 -0.20 -0.33 -1.23 0.00 0.00 177.57 176.20 1s3g h GLU 22 N 0.01 -0.13 0.35 5.19 4.39 -1.48 1.94 114.58 124.85 1s3g h GLU 22 Ca 0.04 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.75 1s3g h GLU 22 Cb 0.48 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.13 1s3g h GLU 22 CO 0.02 -0.09 -0.49 0.87 -1.16 0.00 0.00 179.01 178.15 1s3g h LYS 23 N -0.14 -0.85 -0.01 2.33 1.57 -1.59 -3.28 116.57 114.59 1s3g h LYS 23 Ca 0.03 0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1s3g h LYS 23 Cb 0.21 0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1s3g h LYS 23 CO -0.22 -0.57 -0.56 0.66 -0.57 0.00 0.00 179.45 178.19 1s3g n TYR 24 N -5.53 0.00 -3.88 -1.35 4.02 -0.91 -5.00 117.16 104.51 1s3g n TYR 24 Ca -0.10 0.00 -0.25 0.00 -0.01 0.00 0.00 57.90 57.53 1s3g n TYR 24 Cb 0.44 -0.03 -0.00 0.00 -0.02 0.00 0.00 39.34 39.72 1s3g n TYR 24 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1s3g n GLY 25 N 1.43 -0.33 3.82 2.72 0.00 0.66 -4.98 105.19 108.51 1s3g n GLY 25 Ca 0.08 0.18 -0.35 0.00 0.00 0.00 0.00 46.02 45.93 1s3g n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1s3g s THR 26 N -3.85 5.07 -0.19 2.61 -4.23 -1.26 -5.04 115.64 108.75 1s3g s THR 26 Ca 0.06 -0.09 -0.35 0.00 -1.18 0.00 0.00 61.69 60.13 1s3g s THR 26 Cb -0.02 -3.24 -0.12 0.00 1.34 0.00 0.00 72.50 70.46 1s3g s THR 26 CO 0.87 0.51 1.96 -2.65 -0.54 0.00 0.00 174.62 174.77 1s3g n PRO 27 N 1.67 1.76 -2.61 3.99 -0.02 -1.26 -4.67 135.00 133.86 1s3g n PRO 27 Ca -0.17 0.61 -0.42 0.00 -2.02 0.00 0.00 63.50 61.50 1s3g n PRO 27 Cb 0.54 -2.56 -0.03 0.00 -0.02 0.00 0.00 33.50 31.43 1s3g n PRO 27 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1s3g s HIS 28 N 5.04 2.65 -0.35 6.00 2.46 -1.26 -1.29 115.29 128.53 1s3g s HIS 28 Ca 0.98 0.40 -0.08 0.00 0.47 0.00 0.00 55.06 56.83 1s3g s HIS 28 Cb -0.76 -4.46 0.04 0.00 -0.13 0.00 0.00 32.58 27.26 1s3g s HIS 28 CO 0.52 -1.53 0.14 0.42 -2.47 0.00 0.00 174.74 171.83 1s3g s ILE 29 N 4.80 4.06 -0.20 0.89 1.01 -0.14 -5.00 121.20 126.62 1s3g s ILE 29 Ca 0.42 -1.05 0.01 0.00 0.00 0.00 0.00 60.65 60.04 1s3g s ILE 29 Cb -0.08 -3.29 0.03 0.00 0.01 0.00 0.00 42.46 39.13 1s3g s ILE 29 CO 0.26 -0.21 -0.17 -0.55 0.00 0.00 0.00 174.94 174.27 1s3g s SER 30 N 1.46 3.42 0.31 3.58 0.15 -1.26 0.58 113.70 121.95 1s3g s SER 30 Ca -0.00 -0.83 0.01 0.00 0.70 0.00 0.00 55.95 55.83 1s3g s SER 30 Cb -0.19 -1.46 0.52 0.00 -1.71 0.00 0.00 66.02 63.17 1s3g s SER 30 CO 0.04 -0.06 1.91 0.71 1.20 0.00 0.00 173.24 177.05 1s3g h THR 31 N 6.16 1.20 -0.93 6.45 1.35 -1.84 -0.20 112.91 125.10 1s3g h THR 31 Ca -0.38 -0.58 0.04 0.00 -0.55 0.00 0.00 66.41 64.94 1s3g h THR 31 Cb 1.11 0.49 -0.05 0.00 -1.73 0.00 0.00 68.15 67.97 1s3g h THR 31 CO 0.58 0.24 0.61 1.23 -0.25 0.00 0.00 175.52 177.93 1s3g h GLY 32 N 0.92 1.35 1.24 5.82 0.00 -1.88 -1.22 103.07 109.31 1s3g h GLY 32 Ca 0.20 -0.46 -0.22 0.00 0.00 0.00 0.00 47.33 46.85 1s3g h GLY 32 CO -0.02 0.39 -0.77 -0.55 0.00 0.00 0.00 176.54 175.58 1s3g h ASP 33 N 1.16 0.88 -0.44 0.19 3.45 -1.56 -2.74 116.42 117.37 1s3g h ASP 33 Ca 0.37 -0.58 -0.03 0.00 0.43 0.00 0.00 57.03 57.22 1s3g h ASP 33 Cb 0.04 -0.26 -0.02 0.00 -0.56 0.00 0.00 39.33 38.53 1s3g h ASP 33 CO -0.12 1.37 0.15 0.24 -1.57 0.00 0.00 179.24 179.31 1s3g h MET 34 N 0.51 0.67 -0.54 3.56 2.86 -0.59 -1.00 114.93 120.39 1s3g h MET 34 Ca -0.05 -0.14 -0.02 0.00 -2.06 0.00 0.00 59.70 57.43 1s3g h MET 34 Cb 1.39 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 32.93 1s3g h MET 34 CO 0.16 0.64 0.27 0.74 1.06 0.00 0.00 176.91 179.78 1s3g h PHE 35 N 0.56 0.78 -0.09 -0.22 0.05 -1.31 -0.68 116.94 116.02 1s3g h PHE 35 Ca 0.14 -0.03 0.01 0.00 3.82 0.00 0.00 57.97 61.91 1s3g h PHE 35 Cb 0.25 -0.24 -0.00 0.00 2.00 0.00 0.00 35.95 37.95 1s3g h PHE 35 CO 0.01 0.60 0.06 -0.09 -0.18 0.00 0.00 178.31 178.71 1s3g h ARG 36 N 0.73 0.08 0.00 1.51 2.43 -1.14 -0.99 114.38 117.00 1s3g h ARG 36 Ca 0.19 -0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.26 1s3g h ARG 36 Cb 0.10 -0.02 0.01 0.00 -0.42 0.00 0.00 29.97 29.64 1s3g h ARG 36 CO -0.03 0.05 -0.38 0.00 -1.51 0.00 0.00 179.97 178.11 1s3g h ALA 37 N 1.95 0.04 -0.90 2.80 0.00 -0.33 -2.04 119.26 120.78 1s3g h ALA 37 Ca 0.04 -0.51 0.09 0.00 0.00 0.00 0.00 54.91 54.53 1s3g h ALA 37 Cb 0.05 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.79 1s3g h ALA 37 CO -0.01 0.18 0.54 0.00 0.00 0.00 0.00 179.25 179.97 1s3g h ALA 38 N 0.27 1.29 -0.03 0.00 0.00 -0.66 0.60 119.26 120.73 1s3g h ALA 38 Ca -0.05 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1s3g h ALA 38 Cb 1.13 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 1s3g h ALA 38 CO 0.08 0.19 0.02 0.82 0.00 0.00 0.00 179.25 180.35 1s3g h ILE 39 N 0.91 1.04 0.00 0.00 2.04 -1.20 0.31 117.51 120.61 1s3g h ILE 39 Ca 0.43 -0.12 -0.05 0.00 1.00 0.00 0.00 64.86 66.11 1s3g h ILE 39 Cb 0.35 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 1s3g h ILE 39 CO -0.24 0.03 -0.25 -0.61 0.00 0.00 0.00 178.15 177.09 1s3g h GLN 40 N -0.01 0.00 0.00 2.37 4.15 -0.45 -1.25 115.11 119.92 1s3g h GLN 40 Ca 0.01 0.00 -0.14 0.00 0.77 0.00 0.00 58.65 59.29 1s3g h GLN 40 Cb 0.04 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.71 1s3g h GLN 40 CO -0.00 0.25 -0.67 0.93 -1.93 0.00 0.00 178.83 177.40 1s3g h GLU 41 N 0.00 0.00 0.00 1.69 5.08 0.81 -3.47 114.58 118.69 1s3g h GLU 41 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1s3g h GLU 41 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1s3g h GLU 41 CO 0.03 0.67 0.00 0.41 -1.00 0.00 0.00 179.01 179.13 1s3g n GLY 42 N 0.61 0.75 3.51 -3.84 0.00 0.10 -5.06 105.19 101.27 1s3g n GLY 42 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1s3g n GLY 42 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1s3g n THR 43 N -2.49 0.00 0.10 2.61 -2.24 -0.87 -4.81 114.28 106.58 1s3g n THR 43 Ca 0.00 -0.20 -0.01 0.00 -2.27 0.00 0.00 64.05 61.57 1s3g n THR 43 Cb 0.00 -0.87 0.25 0.00 -2.10 0.00 0.00 70.33 67.61 1s3g n THR 43 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1s3g h GLU 44 N -2.08 0.23 -0.48 -0.78 4.81 -1.97 -2.29 114.58 112.02 1s3g h GLU 44 Ca -0.50 -0.10 -0.13 0.00 -0.13 0.00 0.00 59.36 58.50 1s3g h GLU 44 Cb 1.30 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.66 1s3g h GLU 44 CO 0.41 0.57 -0.22 1.25 -0.73 0.00 0.00 179.01 180.30 1s3g h LEU 45 N 0.20 1.02 -0.90 1.64 6.46 -1.93 -2.49 115.31 119.30 1s3g h LEU 45 Ca 0.02 -0.39 -0.09 0.00 -0.12 0.00 0.00 57.88 57.30 1s3g h LEU 45 Cb 0.74 -0.28 -0.02 0.00 -0.73 0.00 0.00 40.66 40.38 1s3g h LEU 45 CO 0.06 1.19 -0.17 1.23 -0.62 0.00 0.00 178.44 180.13 1s3g h GLY 46 N 0.88 0.67 0.87 3.75 0.00 -1.70 -0.41 103.07 107.13 1s3g h GLY 46 Ca 0.11 -0.51 -0.03 0.00 0.00 0.00 0.00 47.33 46.90 1s3g h GLY 46 CO 0.07 0.47 0.05 -2.08 0.00 0.00 0.00 176.54 175.05 1s3g h VAL 47 N 0.56 1.22 -0.19 4.60 2.07 -1.25 -1.23 116.25 122.02 1s3g h VAL 47 Ca 0.09 -0.74 -0.11 0.00 0.82 0.00 0.00 66.70 66.76 1s3g h VAL 47 Cb 0.61 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 1s3g h VAL 47 CO 0.04 0.24 -0.36 0.07 0.02 0.00 0.00 177.57 177.57 1s3g h LYS 48 N 0.24 0.42 -0.11 1.57 5.09 -1.28 -3.23 116.57 119.26 1s3g h LYS 48 Ca 0.08 -0.19 -0.03 0.00 0.09 0.00 0.00 60.65 60.60 1s3g h LYS 48 Cb 0.31 -0.01 -0.00 0.00 0.10 0.00 0.00 32.23 32.62 1s3g h LYS 48 CO 0.00 0.73 -0.04 0.00 -2.09 0.00 0.00 179.45 178.05 1s3g h ALA 49 N 1.26 0.15 -1.01 0.07 0.00 -0.89 -3.21 119.26 115.64 1s3g h ALA 49 Ca 0.04 -0.24 0.23 0.00 0.00 0.00 0.00 54.91 54.94 1s3g h ALA 49 Cb 0.80 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 18.45 1s3g h ALA 49 CO 0.06 -0.09 0.62 -0.22 0.00 0.00 0.00 179.25 179.63 1s3g h LYS 50 N -0.12 0.55 -0.52 0.00 3.64 -1.24 -1.31 116.57 117.56 1s3g h LYS 50 Ca 0.03 -0.03 0.09 0.00 -1.27 0.00 0.00 60.65 59.46 1s3g h LYS 50 Cb 0.48 -0.12 -0.07 0.00 -0.41 0.00 0.00 32.23 32.10 1s3g h LYS 50 CO 0.01 0.36 0.09 0.77 -2.27 0.00 0.00 179.45 178.41 1s3g h SER 51 N 0.56 -0.04 -0.14 4.20 0.02 -1.61 0.26 113.55 116.81 1s3g h SER 51 Ca 0.59 0.10 -0.17 0.00 -0.84 0.00 0.00 61.79 61.47 1s3g h SER 51 Cb 1.21 0.14 0.01 0.00 0.14 0.00 0.00 62.40 63.90 1s3g h SER 51 CO -0.36 0.01 -0.60 -0.26 -1.14 0.00 0.00 176.83 174.48 1s3g h PHE 52 N 0.22 0.86 -0.27 3.45 -1.00 -1.42 -3.25 116.94 115.53 1s3g h PHE 52 Ca 0.26 -0.37 0.02 0.00 2.81 0.00 0.00 57.97 60.69 1s3g h PHE 52 Cb 0.37 -0.14 -0.03 0.00 3.61 0.00 0.00 35.95 39.77 1s3g h PHE 52 CO -0.25 1.17 0.11 0.52 -1.61 0.00 0.00 178.31 178.25 1s3g h MET 53 N 0.31 0.23 -0.96 1.51 2.86 -0.65 -1.13 114.93 117.09 1s3g h MET 53 Ca -0.04 -0.01 0.12 0.00 -2.06 0.00 0.00 59.70 57.71 1s3g h MET 53 Cb 1.23 -0.05 -0.08 0.00 0.06 0.00 0.00 31.60 32.75 1s3g h MET 53 CO 0.12 0.15 0.59 -0.44 1.06 0.00 0.00 176.91 178.40 1s3g h ASP 54 N 0.24 0.85 1.23 1.22 3.32 -0.61 -1.14 116.42 121.52 1s3g h ASP 54 Ca 0.11 0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.17 1s3g h ASP 54 Cb 0.07 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1s3g h ASP 54 CO -0.10 0.44 -0.21 1.56 -1.72 0.00 0.00 179.24 179.21 1s3g h GLN 55 N 0.92 0.00 0.00 3.56 1.08 -1.43 -3.47 115.11 115.77 1s3g h GLN 55 Ca 0.48 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.68 1s3g h GLN 55 Cb 0.50 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.93 1s3g h GLN 55 CO -0.28 0.21 0.00 0.41 -0.95 0.00 0.00 178.83 178.22 1s3g n GLY 56 N 0.50 0.91 3.95 3.46 0.00 -0.43 -4.75 105.19 108.82 1s3g n GLY 56 Ca 0.01 -0.04 -0.23 0.00 0.00 0.00 0.00 46.02 45.76 1s3g n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s3g s ALA 57 N -2.00 3.78 0.51 4.61 0.00 -0.54 -3.88 121.76 124.25 1s3g s ALA 57 Ca 0.00 -1.02 -0.21 0.00 0.00 0.00 0.00 51.96 50.74 1s3g s ALA 57 Cb 0.00 -1.97 -0.06 0.00 0.00 0.00 0.00 23.12 21.08 1s3g s ALA 57 CO 0.00 0.09 1.17 -0.51 0.00 0.00 0.00 175.76 176.50 1s3g s LEU 58 N -4.15 3.85 0.18 0.00 1.43 -1.26 -4.01 118.68 114.72 1s3g s LEU 58 Ca 0.38 2.29 -0.29 0.00 -1.03 0.00 0.00 54.13 55.47 1s3g s LEU 58 Cb -0.09 -4.43 -0.08 0.00 0.03 0.00 0.00 46.19 41.62 1s3g s LEU 58 CO 0.33 -1.15 0.93 -0.69 0.23 0.00 0.00 176.35 176.00 1s3g s VAL 59 N -1.63 4.28 0.21 -1.59 1.01 -1.26 -4.88 120.40 116.53 1s3g s VAL 59 Ca 0.69 2.03 -0.29 0.00 0.00 0.00 0.00 61.98 64.42 1s3g s VAL 59 Cb -0.27 -4.30 -0.16 0.00 0.00 0.00 0.00 36.38 31.64 1s3g s VAL 59 CO 0.32 0.43 0.73 -2.65 0.00 0.00 0.00 175.10 173.92 1s3g n PRO 60 N 2.02 0.45 -0.06 2.72 -0.02 -1.26 -4.71 135.00 134.13 1s3g n PRO 60 Ca -0.01 0.16 -0.07 0.00 -2.02 0.00 0.00 63.50 61.56 1s3g n PRO 60 Cb 0.48 -1.32 -0.01 0.00 -0.02 0.00 0.00 33.50 32.63 1s3g n PRO 60 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1s3g h ASP 61 N 1.53 -0.56 -0.57 2.55 3.32 -1.99 -2.13 116.42 118.57 1s3g h ASP 61 Ca -0.33 0.12 0.10 0.00 0.02 0.00 0.00 57.03 56.94 1s3g h ASP 61 Cb 1.41 0.29 -0.08 0.00 0.22 0.00 0.00 39.33 41.17 1s3g h ASP 61 CO 0.59 -0.21 0.16 1.05 -1.72 0.00 0.00 179.24 179.11 1s3g h GLU 62 N -0.15 0.30 0.03 3.56 -0.00 -1.99 0.30 114.58 116.63 1s3g h GLU 62 Ca 0.15 -0.02 -0.00 0.00 -0.00 0.00 0.00 59.36 59.49 1s3g h GLU 62 Cb 0.37 -0.07 0.00 0.00 -0.00 0.00 0.00 28.75 29.05 1s3g h GLU 62 CO -0.37 0.20 -0.01 0.28 -0.00 0.00 0.00 179.01 179.11 1s3g h VAL 63 N 0.31 1.04 -0.60 -1.06 2.07 -1.87 -1.17 116.25 114.98 1s3g h VAL 63 Ca 0.29 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.59 1s3g h VAL 63 Cb 0.40 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.33 1s3g h VAL 63 CO -0.34 0.06 0.36 0.74 0.02 0.00 0.00 177.57 178.40 1s3g h THR 64 N -0.13 1.18 -0.49 2.57 2.02 -0.71 -2.31 112.91 115.04 1s3g h THR 64 Ca -0.00 -0.39 -0.05 0.00 0.77 0.00 0.00 66.41 66.73 1s3g h THR 64 Cb 0.12 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 66.87 1s3g h THR 64 CO 0.01 0.18 0.12 0.40 0.37 0.00 0.00 175.52 176.59 1s3g h ILE 65 N 0.81 1.24 -0.20 3.11 2.04 -0.39 -2.67 117.51 121.44 1s3g h ILE 65 Ca 0.21 -0.85 0.05 0.00 1.00 0.00 0.00 64.86 65.28 1s3g h ILE 65 Cb -0.02 0.85 -0.07 0.00 -0.74 0.00 0.00 36.82 36.84 1s3g h ILE 65 CO -0.04 0.31 -0.38 1.23 0.00 0.00 0.00 178.15 179.27 1s3g h GLY 66 N 0.68 -0.54 2.00 5.37 0.00 -0.75 0.22 103.07 110.05 1s3g h GLY 66 Ca 0.15 0.47 -0.04 0.00 0.00 0.00 0.00 47.33 47.91 1s3g h GLY 66 CO 0.00 -0.22 -0.21 0.16 0.00 0.00 0.00 176.54 176.27 1s3g h ILE 67 N -0.41 0.96 0.02 2.60 3.07 -1.40 -2.20 117.51 120.16 1s3g h ILE 67 Ca 0.10 -0.78 -0.20 0.00 1.55 0.00 0.00 64.86 65.53 1s3g h ILE 67 Cb 0.58 1.44 -0.02 0.00 -0.27 0.00 0.00 36.82 38.56 1s3g h ILE 67 CO -0.42 0.21 -0.95 0.58 -1.05 0.00 0.00 178.15 176.52 1s3g h VAL 68 N 0.00 1.59 -0.45 0.16 2.07 -0.96 -2.23 116.25 116.42 1s3g h VAL 68 Ca -0.00 -2.98 -0.03 0.00 0.82 0.00 0.00 66.70 64.51 1s3g h VAL 68 Cb 0.42 2.66 -0.02 0.00 -1.52 0.00 0.00 31.29 32.84 1s3g h VAL 68 CO 0.03 0.86 0.18 -0.09 0.02 0.00 0.00 177.57 178.56 1s3g h ARG 69 N 0.04 0.68 -0.16 1.57 9.65 -0.01 -1.93 114.38 124.22 1s3g h ARG 69 Ca -0.03 -0.13 -0.07 0.00 -1.10 0.00 0.00 59.98 58.64 1s3g h ARG 69 Cb 1.63 -0.11 -0.00 0.00 -1.39 0.00 0.00 29.97 30.10 1s3g h ARG 69 CO 0.13 0.63 -0.19 1.49 2.80 0.00 0.00 179.97 184.83 1s3g h GLU 70 N 0.59 0.41 -0.49 0.20 4.81 -1.45 -2.80 114.58 115.85 1s3g h GLU 70 Ca 0.15 -0.23 -0.09 0.00 -0.13 0.00 0.00 59.36 59.06 1s3g h GLU 70 Cb 0.21 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 1s3g h GLU 70 CO -0.01 0.80 -0.04 -0.09 -0.73 0.00 0.00 179.01 178.94 1s3g h ARG 71 N 0.03 0.86 0.00 1.92 1.12 -1.38 -2.95 114.38 113.98 1s3g h ARG 71 Ca 0.02 -0.26 -0.06 0.00 -1.11 0.00 0.00 59.98 58.57 1s3g h ARG 71 Cb 0.75 -0.08 -0.01 0.00 -0.01 0.00 0.00 29.97 30.62 1s3g h ARG 71 CO 0.05 0.89 -0.27 -0.07 -3.11 0.00 0.00 179.97 177.46 1s3g h LEU 72 N 0.79 0.00 0.00 3.80 3.38 -1.42 -3.07 115.31 118.78 1s3g h LEU 72 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1s3g h LEU 72 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1s3g h LEU 72 CO 0.03 0.27 0.00 -1.54 0.09 0.00 0.00 178.44 177.29 1s3g n SER 73 N -3.25 0.00 -4.86 -0.43 3.41 -1.06 -4.80 113.62 102.64 1s3g n SER 73 Ca 0.02 -1.00 -0.31 0.00 -0.26 0.00 0.00 58.87 57.32 1s3g n SER 73 Cb 0.56 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.47 1s3g n SER 73 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1s3g s LYS 74 N -2.00 3.89 0.34 4.33 1.02 -1.16 -4.99 119.74 121.17 1s3g s LYS 74 Ca 0.41 0.72 0.08 0.00 0.02 0.00 0.00 55.97 57.20 1s3g s LYS 74 Cb 0.19 -2.28 0.80 0.00 -0.52 0.00 0.00 37.83 36.02 1s3g s LYS 74 CO 0.32 -0.11 1.83 0.77 -0.92 0.00 0.00 175.35 177.23 1s3g h SER 75 N 1.24 0.69 0.00 2.83 0.02 -1.90 -3.13 113.55 113.31 1s3g h SER 75 Ca -0.47 0.06 -0.22 0.00 -0.84 0.00 0.00 61.79 60.32 1s3g h SER 75 Cb 1.18 -0.07 -0.05 0.00 0.14 0.00 0.00 62.40 63.60 1s3g h SER 75 CO 0.63 0.30 0.17 -0.90 -1.14 0.00 0.00 176.83 175.89 1s3g n ASP 76 N -4.63 5.13 0.00 3.07 5.75 -1.26 -2.58 116.55 122.03 1s3g n ASP 76 Ca 0.20 -2.40 0.00 0.00 -0.01 0.00 0.00 54.79 52.58 1s3g n ASP 76 Cb 0.54 -1.31 0.00 0.00 -1.03 0.00 0.00 41.12 39.32 1s3g n ASP 76 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1s3g h ASP 78 N 0.00 0.86 0.88 0.00 3.32 -1.69 -2.88 116.42 116.91 1s3g h ASP 78 Ca 0.00 -0.31 0.00 0.00 0.02 0.00 0.00 57.03 56.74 1s3g h ASP 78 Cb 0.42 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.73 1s3g h ASP 78 CO 0.00 1.04 -0.13 0.59 -1.72 0.00 0.00 179.24 179.01 1s3g n ASN 79 N -4.12 0.15 0.00 6.45 3.02 -1.26 -5.00 115.26 114.50 1s3g n ASN 79 Ca 0.00 0.30 0.00 0.00 -0.03 0.00 0.00 54.58 54.86 1s3g n ASN 79 Cb 0.43 -0.31 0.00 0.00 -0.61 0.00 0.00 39.78 39.29 1s3g n ASN 79 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1s3g n GLY 80 N 1.49 1.80 3.57 7.41 0.00 -1.09 -3.87 105.19 114.51 1s3g n GLY 80 Ca 0.07 -1.48 -0.08 0.00 0.00 0.00 0.00 46.02 44.52 1s3g n GLY 80 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1s3g s PHE 81 N -1.84 -0.29 -0.47 1.61 -0.12 0.15 -4.28 117.98 112.73 1s3g s PHE 81 Ca 0.00 0.40 0.02 0.00 -0.05 0.00 0.00 56.93 57.30 1s3g s PHE 81 Cb 0.00 0.48 0.12 0.00 -0.63 0.00 0.00 43.02 43.00 1s3g s PHE 81 CO 0.00 -0.33 0.22 -1.17 -0.05 0.00 0.00 175.22 173.89 1s3g s LEU 82 N -1.54 4.68 0.23 -1.99 2.96 -0.41 0.22 118.68 122.83 1s3g s LEU 82 Ca 0.02 -2.63 -0.30 0.00 -0.22 0.00 0.00 54.13 51.01 1s3g s LEU 82 Cb -0.01 -1.69 -0.09 0.00 0.50 0.00 0.00 46.19 44.91 1s3g s LEU 82 CO -0.03 -0.33 1.15 -0.76 -1.32 0.00 0.00 176.35 175.06 1s3g s LEU 83 N 0.25 4.49 -0.14 -0.68 1.43 -0.28 -0.96 118.68 122.80 1s3g s LEU 83 Ca 0.14 2.24 -0.01 0.00 -1.03 0.00 0.00 54.13 55.48 1s3g s LEU 83 Cb -0.23 -3.62 0.03 0.00 0.03 0.00 0.00 46.19 42.41 1s3g s LEU 83 CO -0.03 -0.26 -0.05 -0.62 0.23 0.00 0.00 176.35 175.61 1s3g s ASP 84 N -0.33 2.44 -0.21 2.29 3.68 0.20 -0.50 116.67 124.24 1s3g s ASP 84 Ca 0.49 -0.46 0.00 0.00 2.13 0.00 0.00 52.55 54.71 1s3g s ASP 84 Cb -0.32 -0.82 0.00 0.00 -1.45 0.00 0.00 42.92 40.33 1s3g s ASP 84 CO 0.39 -0.16 0.00 0.61 0.13 0.00 0.00 175.17 176.13 1s3g n GLY 85 N 4.94 0.36 3.57 2.66 0.00 -0.97 -3.39 105.19 112.36 1s3g n GLY 85 Ca -0.12 -0.85 -0.10 0.00 0.00 0.00 0.00 46.02 44.95 1s3g n GLY 85 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1s3g s PHE 86 N -2.10 -0.87 0.74 1.61 5.36 -1.26 -4.60 117.98 116.86 1s3g s PHE 86 Ca 0.00 1.90 -0.11 0.00 -0.96 0.00 0.00 56.93 57.76 1s3g s PHE 86 Cb 0.00 0.43 0.04 0.00 -0.34 0.00 0.00 43.02 43.15 1s3g s PHE 86 CO 0.00 -0.43 1.11 -1.25 -1.46 0.00 0.00 175.22 173.19 1s3g s PRO 87 N 1.03 2.46 0.00 10.12 0.04 -1.26 -4.74 135.00 142.64 1s3g s PRO 87 Ca -0.05 0.25 0.00 0.00 0.04 0.00 0.00 61.00 61.24 1s3g s PRO 87 Cb -0.05 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.47 1s3g s PRO 87 CO -0.10 -1.25 0.08 0.54 0.04 0.00 0.00 177.00 176.31 1s3g n ARG 88 N -3.10 4.74 -4.21 4.56 1.74 -1.26 -4.96 116.66 114.17 1s3g n ARG 88 Ca 0.07 -0.08 -0.12 0.00 -0.77 0.00 0.00 57.85 56.96 1s3g n ARG 88 Cb 0.59 -0.51 -0.10 0.00 -1.02 0.00 0.00 32.46 31.41 1s3g n ARG 88 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1s3g s THR 89 N -0.70 0.60 0.18 0.55 -4.23 -1.26 -4.68 115.64 106.10 1s3g s THR 89 Ca 0.00 -1.96 -0.11 0.00 -1.18 0.00 0.00 61.69 58.45 1s3g s THR 89 Cb 0.00 -1.97 0.09 0.00 1.34 0.00 0.00 72.50 71.96 1s3g s THR 89 CO 0.00 -0.60 1.73 0.58 -0.54 0.00 0.00 174.62 175.79 1s3g h VAL 90 N 2.80 1.24 -0.59 2.29 2.07 -1.97 -0.30 116.25 121.80 1s3g h VAL 90 Ca -0.36 -0.77 0.03 0.00 0.82 0.00 0.00 66.70 66.42 1s3g h VAL 90 Cb 1.19 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 31.46 1s3g h VAL 90 CO 0.63 0.30 0.35 -0.65 0.02 0.00 0.00 177.57 178.22 1s3g h PRO 91 N 0.91 0.68 -0.81 1.57 0.11 -1.99 0.10 132.00 132.56 1s3g h PRO 91 Ca 0.21 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 66.30 1s3g h PRO 91 Cb 0.23 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 31.14 1s3g h PRO 91 CO -0.01 0.45 0.53 1.96 -0.21 0.00 0.00 178.00 180.71 1s3g h GLN 92 N 0.70 1.03 -0.77 1.05 4.20 -1.87 0.11 115.11 119.55 1s3g h GLN 92 Ca 0.24 -0.06 0.01 0.00 0.06 0.00 0.00 58.65 58.90 1s3g h GLN 92 Cb 0.03 -0.23 -0.04 0.00 0.30 0.00 0.00 27.48 27.54 1s3g h GLN 92 CO -0.10 0.68 0.51 0.00 -0.67 0.00 0.00 178.83 179.25 1s3g h ALA 93 N 1.32 0.98 -0.10 3.87 0.00 0.18 -1.72 119.26 123.79 1s3g h ALA 93 Ca 0.31 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 55.04 1s3g h ALA 93 Cb -0.06 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 17.43 1s3g h ALA 93 CO -0.09 0.39 -0.46 0.93 0.00 0.00 0.00 179.25 180.02 1s3g h GLU 94 N 1.04 0.48 -0.35 0.00 4.39 -0.55 -2.68 114.58 116.91 1s3g h GLU 94 Ca 0.29 -0.39 0.09 0.00 0.34 0.00 0.00 59.36 59.68 1s3g h GLU 94 Cb -0.11 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.60 1s3g h GLU 94 CO -0.07 1.02 0.25 0.00 -1.16 0.00 0.00 179.01 179.05 1s3g h ALA 95 N 0.46 2.25 -0.00 3.43 0.00 -0.85 0.11 119.26 124.65 1s3g h ALA 95 Ca -0.03 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.67 1s3g h ALA 95 Cb 1.11 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1s3g h ALA 95 CO 0.10 -0.34 -0.87 1.25 0.00 0.00 0.00 179.25 179.39 1s3g h LEU 96 N 0.06 0.31 -0.24 0.00 5.85 -1.25 -2.07 115.31 117.98 1s3g h LEU 96 Ca 0.16 -0.25 -0.10 0.00 0.84 0.00 0.00 57.88 58.54 1s3g h LEU 96 Cb 0.57 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.50 1s3g h LEU 96 CO -0.01 1.04 -0.23 0.44 -0.34 0.00 0.00 178.44 179.33 1s3g h ASP 97 N 0.14 0.62 -0.24 1.25 3.45 -0.50 -2.65 116.42 118.49 1s3g h ASP 97 Ca -0.05 -0.47 -0.08 0.00 0.43 0.00 0.00 57.03 56.85 1s3g h ASP 97 Cb 1.49 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 40.08 1s3g h ASP 97 CO 0.14 0.97 -0.17 1.56 -1.57 0.00 0.00 179.24 180.16 1s3g h GLN 98 N 0.28 0.54 -0.47 3.56 4.20 -1.25 0.17 115.11 122.14 1s3g h GLN 98 Ca 0.04 -0.26 0.09 0.00 0.06 0.00 0.00 58.65 58.58 1s3g h GLN 98 Cb 0.79 -0.00 -0.09 0.00 0.30 0.00 0.00 27.48 28.48 1s3g h GLN 98 CO 0.06 0.84 -0.11 1.25 -0.67 0.00 0.00 178.83 180.19 1s3g h LEU 99 N 0.25 -0.43 -0.52 1.46 5.85 -1.41 0.68 115.31 121.19 1s3g h LEU 99 Ca 0.05 0.14 -0.07 0.00 0.84 0.00 0.00 57.88 58.84 1s3g h LEU 99 Cb 0.71 0.29 -0.01 0.00 0.37 0.00 0.00 40.66 42.02 1s3g h LEU 99 CO 0.05 -0.15 -0.33 -0.07 -0.34 0.00 0.00 178.44 177.59 1s3g h LEU 100 N 0.00 0.00 -1.25 2.25 3.38 -1.41 -3.04 115.31 115.24 1s3g h LEU 100 Ca 0.23 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.14 1s3g h LEU 100 Cb 0.35 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1s3g h LEU 100 CO -0.49 0.33 -0.07 0.00 0.09 0.00 0.00 178.44 178.31 1s3g h ALA 101 N 1.67 1.39 -0.07 1.53 0.00 0.16 0.31 119.26 124.25 1s3g h ALA 101 Ca -0.00 -0.22 -0.22 0.00 0.00 0.00 0.00 54.91 54.47 1s3g h ALA 101 Cb 1.05 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.73 1s3g h ALA 101 CO 0.04 0.42 -0.86 -0.44 0.00 0.00 0.00 179.25 178.42 1s3g h ASP 102 N 0.41 0.75 -0.03 0.00 3.32 -1.08 -2.98 116.42 116.80 1s3g h ASP 102 Ca 0.08 -0.53 0.00 0.00 0.02 0.00 0.00 57.03 56.60 1s3g h ASP 102 Cb 0.38 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1s3g h ASP 102 CO 0.02 1.32 0.00 0.23 -1.72 0.00 0.00 179.24 179.09 1s3g n MET 103 N -3.86 1.07 -3.45 3.56 2.81 -1.03 -4.87 117.12 111.34 1s3g n MET 103 Ca -0.07 -0.10 -0.20 0.00 -1.81 0.00 0.00 57.70 55.51 1s3g n MET 103 Cb 0.78 -1.09 0.08 0.00 -0.71 0.00 0.00 33.22 32.28 1s3g n MET 103 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1s3g n GLY 104 N 0.61 -0.39 3.25 3.03 0.00 -0.91 -5.01 105.19 105.77 1s3g n GLY 104 Ca 0.04 0.15 -0.16 0.00 0.00 0.00 0.00 46.02 46.05 1s3g n GLY 104 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s3g s ARG 105 N -5.88 1.49 0.16 1.61 0.52 0.11 -5.03 118.95 111.93 1s3g s ARG 105 Ca 0.35 -1.82 -0.18 0.00 -0.52 0.00 0.00 55.73 53.56 1s3g s ARG 105 Cb -0.16 0.30 0.04 0.00 0.52 0.00 0.00 34.95 35.66 1s3g s ARG 105 CO 0.68 -0.53 0.50 -1.59 0.02 0.00 0.00 175.30 174.38 1s3g s LYS 106 N -3.78 1.24 0.22 3.54 -2.85 -1.26 -3.62 119.74 113.23 1s3g s LYS 106 Ca 0.40 -0.70 -0.30 0.00 -1.00 0.00 0.00 55.97 54.37 1s3g s LYS 106 Cb 0.04 0.52 -0.09 0.00 -2.06 0.00 0.00 37.83 36.25 1s3g s LYS 106 CO 0.20 -0.52 1.08 0.42 0.10 0.00 0.00 175.35 176.63 1s3g s ILE 107 N -3.81 3.74 -0.03 3.79 -1.09 -1.26 -4.77 121.20 117.77 1s3g s ILE 107 Ca 0.05 1.61 0.13 0.00 -2.23 0.00 0.00 60.65 60.21 1s3g s ILE 107 Cb 0.00 -4.03 -0.20 0.00 -1.58 0.00 0.00 42.46 36.66 1s3g s ILE 107 CO -0.09 0.33 0.26 -0.62 -1.23 0.00 0.00 174.94 173.60 1s3g n GLU 108 N 1.82 0.51 -3.68 2.79 1.02 -0.70 -5.00 120.64 117.40 1s3g n GLU 108 Ca 0.01 -0.11 -0.10 0.00 -0.02 0.00 0.00 57.16 56.94 1s3g n GLU 108 Cb 0.46 -1.31 -0.10 0.00 -0.02 0.00 0.00 31.44 30.47 1s3g n GLU 108 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1s3g s HIS 109 N -2.85 -0.73 -0.33 -0.32 3.76 -1.18 -4.90 115.29 108.75 1s3g s HIS 109 Ca -0.05 1.51 0.01 0.00 -0.15 0.00 0.00 55.06 56.38 1s3g s HIS 109 Cb 0.08 0.37 0.08 0.00 1.11 0.00 0.00 32.58 34.21 1s3g s HIS 109 CO 0.53 -0.39 0.03 0.08 -0.85 0.00 0.00 174.74 174.14 1s3g s VAL 110 N 1.46 2.66 -0.48 -0.90 1.01 -0.70 -1.77 120.40 121.67 1s3g s VAL 110 Ca -0.10 -1.87 -0.18 0.00 0.00 0.00 0.00 61.98 59.83 1s3g s VAL 110 Cb -0.07 -2.72 0.05 0.00 0.00 0.00 0.00 36.38 33.63 1s3g s VAL 110 CO -0.15 -0.36 0.56 -0.76 0.00 0.00 0.00 175.10 174.39 1s3g s LEU 111 N 1.09 5.03 -0.47 3.92 1.43 -0.25 -1.56 118.68 127.87 1s3g s LEU 111 Ca 0.02 -0.91 -0.18 0.00 -1.03 0.00 0.00 54.13 52.02 1s3g s LEU 111 Cb -0.20 -2.41 0.05 0.00 0.03 0.00 0.00 46.19 43.65 1s3g s LEU 111 CO -0.05 -0.80 0.55 0.21 0.23 0.00 0.00 176.35 176.50 1s3g s ASN 112 N 2.50 6.22 -0.32 2.29 3.04 -0.34 -1.64 114.94 126.68 1s3g s ASN 112 Ca 0.13 -0.86 -0.24 0.00 0.04 0.00 0.00 52.86 51.94 1s3g s ASN 112 Cb -0.19 -2.26 0.00 0.00 -1.54 0.00 0.00 41.25 37.26 1s3g s ASN 112 CO 0.12 -0.77 0.82 -0.63 -3.04 0.00 0.00 177.10 173.59 1s3g s ILE 113 N 2.40 4.74 -0.15 -5.21 1.01 -0.75 -1.11 121.20 122.13 1s3g s ILE 113 Ca 0.14 1.17 -0.06 0.00 0.00 0.00 0.00 60.65 61.89 1s3g s ILE 113 Cb -0.19 -4.19 -0.04 0.00 0.01 0.00 0.00 42.46 38.05 1s3g s ILE 113 CO 0.12 -0.33 0.05 -1.10 0.00 0.00 0.00 174.94 173.69 1s3g s GLN 114 N 3.08 3.71 -0.05 2.79 -0.21 -0.25 -4.42 119.66 124.31 1s3g s GLN 114 Ca 0.34 -0.34 -0.08 0.00 0.02 0.00 0.00 55.36 55.29 1s3g s GLN 114 Cb -0.14 -3.11 0.02 0.00 1.00 0.00 0.00 33.01 30.78 1s3g s GLN 114 CO 0.14 0.41 0.20 0.08 -2.12 0.00 0.00 175.29 174.01 1s3g s VAL 115 N -0.04 0.03 0.56 1.09 1.01 -1.26 -1.35 120.40 120.44 1s3g s VAL 115 Ca 0.06 -0.25 -0.19 0.00 0.00 0.00 0.00 61.98 61.60 1s3g s VAL 115 Cb -0.12 -0.37 -0.05 0.00 0.00 0.00 0.00 36.38 35.83 1s3g s VAL 115 CO 0.01 -0.14 1.11 -1.83 0.00 0.00 0.00 175.10 174.26 1s3g s GLU 116 N -0.47 3.29 0.25 2.72 -1.05 -1.26 -4.84 118.70 117.34 1s3g s GLU 116 Ca -0.06 1.53 -0.04 0.00 -0.15 0.00 0.00 54.97 56.25 1s3g s GLU 116 Cb -0.04 -2.00 0.50 0.00 -0.44 0.00 0.00 34.13 32.15 1s3g s GLU 116 CO 0.01 -0.88 1.67 0.87 0.95 0.00 0.00 175.26 177.88 1s3g h LYS 117 N 0.98 0.23 -0.58 -4.83 1.57 -2.01 -2.03 116.57 109.89 1s3g h LYS 117 Ca -0.49 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.27 1s3g h LYS 117 Cb 1.25 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.48 1s3g h LYS 117 CO 0.57 0.15 0.34 1.49 -0.57 0.00 0.00 179.45 181.42 1s3g h GLU 118 N 0.23 0.79 -0.07 3.15 4.57 -1.99 0.34 114.58 121.60 1s3g h GLU 118 Ca 0.44 -0.07 -0.21 0.00 -1.18 0.00 0.00 59.36 58.33 1s3g h GLU 118 Cb 0.78 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 29.20 1s3g h GLU 118 CO -0.56 0.56 -0.83 1.49 -1.18 0.00 0.00 179.01 178.50 1s3g h GLU 119 N 0.80 0.53 -0.69 1.92 4.57 -1.77 -2.30 114.58 117.64 1s3g h GLU 119 Ca 0.21 -0.48 -0.03 0.00 -1.18 0.00 0.00 59.36 57.88 1s3g h GLU 119 Cb -0.01 0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 28.66 1s3g h GLU 119 CO -0.04 1.11 0.30 -0.07 -1.18 0.00 0.00 179.01 179.13 1s3g h LEU 120 N 0.34 0.94 -0.47 1.64 4.07 -0.73 0.01 115.31 121.11 1s3g h LEU 120 Ca -0.06 -0.16 -0.13 0.00 0.08 0.00 0.00 57.88 57.62 1s3g h LEU 120 Cb 1.44 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 42.92 1s3g h LEU 120 CO 0.15 0.84 -0.20 0.40 -1.08 0.00 0.00 178.44 178.54 1s3g h ILE 121 N 0.98 1.27 -0.52 1.22 2.04 -0.89 -2.43 117.51 119.19 1s3g h ILE 121 Ca 0.23 -1.36 -0.11 0.00 1.00 0.00 0.00 64.86 64.62 1s3g h ILE 121 Cb 0.17 1.14 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 1s3g h ILE 121 CO -0.02 0.47 -0.10 0.00 0.00 0.00 0.00 178.15 178.50 1s3g h ALA 122 N 0.86 0.85 -0.47 1.87 0.00 -1.16 -2.22 119.26 119.00 1s3g h ALA 122 Ca 0.11 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1s3g h ALA 122 Cb 0.78 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1s3g h ALA 122 CO 0.06 0.65 0.14 0.00 0.00 0.00 0.00 179.25 180.11 1s3g h ARG 123 N 0.86 0.69 0.00 0.00 3.08 -0.83 -2.87 114.38 115.31 1s3g h ARG 123 Ca 0.14 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1s3g h ARG 123 Cb 0.64 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.57 1s3g h ARG 123 CO 0.04 0.60 -0.59 -0.07 -1.07 0.00 0.00 179.97 178.88 1s3g h LEU 124 N 0.67 0.00 0.21 3.04 3.38 -1.34 -3.31 115.31 117.97 1s3g h LEU 124 Ca 0.16 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1s3g h LEU 124 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1s3g h LEU 124 CO -0.01 0.05 -0.10 0.74 0.09 0.00 0.00 178.44 179.20 1s3g h THR 125 N 0.00 0.86 -0.73 0.22 2.02 -1.16 -3.30 112.91 110.81 1s3g h THR 125 Ca 0.00 -0.75 -0.22 0.00 0.77 0.00 0.00 66.41 66.21 1s3g h THR 125 Cb 0.87 1.28 -0.13 0.00 -1.74 0.00 0.00 68.15 68.42 1s3g h THR 125 CO 0.00 0.16 0.27 0.61 0.37 0.00 0.00 175.52 176.93 1s3g n GLY 126 N -0.11 3.76 3.82 2.16 0.00 -1.23 -4.98 105.19 108.60 1s3g n GLY 126 Ca -0.09 -1.01 -0.32 0.00 0.00 0.00 0.00 46.02 44.60 1s3g n GLY 126 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1s3g s ARG 127 N -3.02 3.45 -0.01 1.61 3.52 -1.25 -2.27 118.95 120.97 1s3g s ARG 127 Ca 0.55 1.05 -0.05 0.00 -0.13 0.00 0.00 55.73 57.15 1s3g s ARG 127 Cb 0.44 -2.06 0.00 0.00 -1.56 0.00 0.00 34.95 31.78 1s3g s ARG 127 CO 0.13 -0.70 0.11 1.03 -0.81 0.00 0.00 175.30 175.07 1s3g s ARG 128 N -4.34 0.35 0.12 5.12 1.81 0.00 -4.61 118.95 117.40 1s3g s ARG 128 Ca 0.61 -0.22 0.09 0.00 -1.72 0.00 0.00 55.73 54.48 1s3g s ARG 128 Cb -0.14 0.14 -0.04 0.00 -0.45 0.00 0.00 34.95 34.47 1s3g s ARG 128 CO 0.40 -0.07 -0.18 0.42 -0.68 0.00 0.00 175.30 175.18 1s3g s ILE 129 N -0.89 2.81 -0.09 1.52 -1.09 0.11 0.01 121.20 123.59 1s3g s ILE 129 Ca -0.10 -1.53 -0.27 0.00 -2.23 0.00 0.00 60.65 56.52 1s3g s ILE 129 Cb -0.06 -2.29 -0.02 0.00 -1.58 0.00 0.00 42.46 38.51 1s3g s ILE 129 CO 0.01 0.09 0.89 0.00 -1.23 0.00 0.00 174.94 174.70 1s3g h LYS 131 N 7.02 0.00 0.12 0.00 1.63 -0.44 -1.91 116.57 122.98 1s3g h LYS 131 Ca -0.35 0.00 -0.36 0.00 -0.85 0.00 0.00 60.65 59.09 1s3g h LYS 131 Cb 1.17 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.78 1s3g h LYS 131 CO 0.80 0.12 -1.99 0.28 -3.45 0.00 0.00 179.45 175.22 1s3g n VAL 132 N -3.89 1.77 -0.02 2.00 0.31 -1.26 -4.69 118.33 112.55 1s3g n VAL 132 Ca -0.02 -0.67 0.00 0.00 -0.01 0.00 0.00 64.34 63.64 1s3g n VAL 132 Cb 0.22 -1.69 0.00 0.00 -0.91 0.00 0.00 33.84 31.46 1s3g n VAL 132 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1s3g n GLY 134 N 0.17 2.83 3.75 0.00 0.00 -0.72 -4.99 105.19 106.23 1s3g n GLY 134 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1s3g n GLY 134 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1s3g s THR 135 N -2.08 2.44 0.25 2.61 2.01 -1.26 -4.48 115.64 115.12 1s3g s THR 135 Ca 0.00 0.31 0.08 0.00 0.31 0.00 0.00 61.69 62.39 1s3g s THR 135 Cb 0.00 -3.15 -0.04 0.00 0.01 0.00 0.00 72.50 69.32 1s3g s THR 135 CO 0.00 -0.02 0.11 -0.94 -0.69 0.00 0.00 174.62 173.08 1s3g s SER 136 N -1.19 5.14 0.18 3.53 1.04 -1.26 0.09 113.70 121.23 1s3g s SER 136 Ca 0.71 -0.39 -0.01 0.00 0.48 0.00 0.00 55.95 56.75 1s3g s SER 136 Cb -0.35 -1.19 -0.04 0.00 0.10 0.00 0.00 66.02 64.53 1s3g s SER 136 CO 0.41 -0.01 0.10 -0.31 0.98 0.00 0.00 173.24 174.41 1s3g s TYR 137 N -2.14 1.08 -0.09 5.02 1.51 0.10 -4.98 117.35 117.85 1s3g s TYR 137 Ca 0.32 -1.30 0.00 0.00 -1.01 0.00 0.00 57.07 55.08 1s3g s TYR 137 Cb -0.08 -0.56 0.02 0.00 -0.11 0.00 0.00 41.96 41.24 1s3g s TYR 137 CO 0.23 -0.56 -0.06 -1.58 -1.11 0.00 0.00 175.55 172.46 1s3g s HIS 138 N -4.08 1.21 0.39 2.71 2.46 0.58 -0.81 115.29 117.74 1s3g s HIS 138 Ca 0.33 -0.51 0.19 0.00 0.47 0.00 0.00 55.06 55.54 1s3g s HIS 138 Cb 0.07 -1.03 1.14 0.00 -0.13 0.00 0.00 32.58 32.63 1s3g s HIS 138 CO 0.08 -0.39 1.73 -0.07 -2.47 0.00 0.00 174.74 173.62 1s3g h LEU 139 N 7.83 0.44 0.00 8.88 3.38 -1.71 0.62 115.31 134.75 1s3g h LEU 139 Ca -0.29 0.11 -0.22 0.00 0.09 0.00 0.00 57.88 57.57 1s3g h LEU 139 Cb 1.14 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.91 1s3g h LEU 139 CO 0.40 0.01 -1.68 0.18 0.09 0.00 0.00 178.44 177.44 1s3g n LEU 140 N -4.72 1.94 0.10 1.67 4.32 -1.26 -4.51 117.00 114.54 1s3g n LEU 140 Ca 0.28 0.35 -0.17 0.00 -0.02 0.00 0.00 56.01 56.46 1s3g n LEU 140 Cb 0.98 -0.79 -0.14 0.00 -1.62 0.00 0.00 43.42 41.84 1s3g n LEU 140 CO 0.22 0.12 -0.13 -0.26 -1.22 0.00 0.00 177.39 176.12 1s3g h PHE 141 N -1.00 0.51 -1.78 -1.77 0.04 -1.96 -3.40 116.94 107.57 1s3g h PHE 141 Ca -0.33 -0.37 -0.51 0.00 2.80 0.00 0.00 57.97 59.56 1s3g h PHE 141 Cb 1.26 -0.02 -0.36 0.00 2.20 0.00 0.00 35.95 39.03 1s3g h PHE 141 CO -0.25 1.32 -1.05 -1.71 -0.60 0.00 0.00 178.31 176.02 1s3g n ASN 142 N -3.52 -0.07 -4.79 2.17 4.05 -0.78 -4.96 115.26 107.36 1s3g n ASN 142 Ca -0.11 -2.81 -0.31 0.00 0.45 0.00 0.00 54.58 51.80 1s3g n ASN 142 Cb 1.03 -0.36 0.07 0.00 1.23 0.00 0.00 39.78 41.75 1s3g n ASN 142 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1s3g s PRO 143 N -1.15 2.62 0.60 1.20 0.04 0.14 -0.31 135.00 138.15 1s3g s PRO 143 Ca 0.35 1.13 -0.15 0.00 0.04 0.00 0.00 61.00 62.37 1s3g s PRO 143 Cb 0.20 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.76 1s3g s PRO 143 CO -0.12 -1.36 1.05 -1.25 0.04 0.00 0.00 177.00 175.36 1s3g s PRO 144 N -4.79 3.35 0.17 0.56 0.04 -1.26 -4.87 135.00 128.19 1s3g s PRO 144 Ca 0.61 1.10 -0.15 0.00 0.04 0.00 0.00 61.00 62.59 1s3g s PRO 144 Cb -0.16 -2.04 0.13 0.00 0.04 0.00 0.00 34.50 32.47 1s3g s PRO 144 CO 0.52 -0.78 1.69 1.96 0.04 0.00 0.00 177.00 180.44 1s3g h GLN 145 N 0.24 0.11 -5.07 4.56 4.20 -1.96 -3.39 115.11 113.80 1s3g h GLN 145 Ca -0.46 -0.01 -0.66 0.00 0.06 0.00 0.00 58.65 57.58 1s3g h GLN 145 Cb 1.21 -0.02 -0.29 0.00 0.30 0.00 0.00 27.48 28.67 1s3g h GLN 145 CO 0.58 0.07 -0.76 0.08 -0.67 0.00 0.00 178.83 178.13 1s3g s VAL 146 N -6.18 2.99 -0.16 -0.54 1.01 -1.26 -5.07 120.40 111.20 1s3g s VAL 146 Ca -0.13 -0.63 -0.40 0.00 0.00 0.00 0.00 61.98 60.81 1s3g s VAL 146 Cb 0.14 -2.32 -0.19 0.00 0.00 0.00 0.00 36.38 34.01 1s3g s VAL 146 CO 0.71 0.47 1.18 1.21 0.00 0.00 0.00 175.10 178.68 1s3g n GLU 147 N 4.51 0.00 -1.01 2.72 2.13 -1.26 -1.39 120.64 126.34 1s3g n GLU 147 Ca -0.19 0.00 -0.00 0.00 0.66 0.00 0.00 57.16 57.63 1s3g n GLU 147 Cb 0.51 -1.42 -0.00 0.00 0.27 0.00 0.00 31.44 30.80 1s3g n GLU 147 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1s3g n GLY 148 N 2.21 0.19 2.92 8.31 0.00 -1.26 -4.99 105.19 112.57 1s3g n GLY 148 Ca 0.22 -0.01 -0.24 0.00 0.00 0.00 0.00 46.02 46.00 1s3g n GLY 148 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s3g s LYS 149 N -1.37 1.32 0.30 1.61 1.02 -0.49 -2.93 119.74 119.22 1s3g s LYS 149 Ca 0.00 -0.23 -0.30 0.00 0.02 0.00 0.00 55.97 55.47 1s3g s LYS 149 Cb 0.00 -1.30 -0.12 0.00 -0.52 0.00 0.00 37.83 35.89 1s3g s LYS 149 CO 0.00 -0.15 1.59 0.00 -0.92 0.00 0.00 175.35 175.87 1s3g n ASP 151 N 1.97 0.59 -0.06 0.00 8.00 -1.26 -0.32 116.55 125.47 1s3g n ASP 151 Ca 0.08 0.65 -0.12 0.00 0.71 0.00 0.00 54.79 56.10 1s3g n ASP 151 Cb 0.37 -0.77 -0.14 0.00 -0.02 0.00 0.00 41.12 40.55 1s3g n ASP 151 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1s3g n LYS 152 N -2.15 0.67 0.00 -1.24 5.02 -1.26 -4.76 118.16 114.44 1s3g n LYS 152 Ca 0.02 0.17 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 1s3g n LYS 152 Cb 0.22 -1.65 0.00 0.00 -0.02 0.00 0.00 35.03 33.58 1s3g n LYS 152 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1s3g n ASP 153 N -3.04 0.00 0.00 4.39 5.68 -1.21 -5.01 116.55 117.36 1s3g n ASP 153 Ca -0.29 -1.00 0.00 0.00 -0.50 0.00 0.00 54.79 53.00 1s3g n ASP 153 Cb 1.08 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 41.06 1s3g n ASP 153 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1s3g n GLY 154 N 0.00 0.25 3.73 6.12 0.00 0.57 -4.93 105.19 110.93 1s3g n GLY 154 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1s3g n GLY 154 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1s3g s GLY 155 N -2.00 2.13 0.50 -0.02 0.00 -1.26 -4.33 107.32 102.34 1s3g s GLY 155 Ca 0.00 0.70 -0.21 0.00 0.00 0.00 0.00 44.72 45.22 1s3g s GLY 155 CO 0.00 1.10 1.13 1.85 0.00 0.00 0.00 173.10 177.17 1s3g s GLU 156 N -4.17 3.56 0.04 2.90 2.12 -1.26 -1.11 118.70 120.78 1s3g s GLU 156 Ca 0.70 1.63 0.01 0.00 0.36 0.00 0.00 54.97 57.67 1s3g s GLU 156 Cb -0.25 -2.16 -0.04 0.00 0.26 0.00 0.00 34.13 31.94 1s3g s GLU 156 CO 0.48 -0.68 0.08 -0.51 -0.54 0.00 0.00 175.26 174.09 1s3g s LEU 157 N -3.48 3.85 0.14 2.70 1.43 -1.15 0.30 118.68 122.48 1s3g s LEU 157 Ca 0.69 0.07 -0.13 0.00 -1.03 0.00 0.00 54.13 53.72 1s3g s LEU 157 Cb -0.24 -2.40 0.01 0.00 0.03 0.00 0.00 46.19 43.60 1s3g s LEU 157 CO 0.28 0.22 0.35 -0.72 0.23 0.00 0.00 176.35 176.72 1s3g s TYR 158 N -1.30 0.05 -0.12 0.29 -0.85 0.26 -4.89 117.35 110.80 1s3g s TYR 158 Ca 0.26 -0.41 -0.18 0.00 -0.52 0.00 0.00 57.07 56.23 1s3g s TYR 158 Cb -0.12 0.14 -0.04 0.00 0.38 0.00 0.00 41.96 42.32 1s3g s TYR 158 CO 0.18 -0.73 0.45 -1.14 -1.52 0.00 0.00 175.55 172.80 1s3g s GLN 159 N -3.88 4.32 0.24 -3.49 0.74 -1.26 0.04 119.66 116.37 1s3g s GLN 159 Ca 0.09 0.41 -0.31 0.00 0.05 0.00 0.00 55.36 55.59 1s3g s GLN 159 Cb 0.02 -3.43 -0.12 0.00 1.10 0.00 0.00 33.01 30.59 1s3g s GLN 159 CO -0.06 0.18 1.67 1.03 -0.55 0.00 0.00 175.29 177.55 1s3g s ARG 160 N 0.57 4.13 0.37 1.67 0.52 -1.26 -4.86 118.95 120.09 1s3g s ARG 160 Ca 0.25 2.59 0.14 0.00 -0.52 0.00 0.00 55.73 58.19 1s3g s ARG 160 Cb -0.15 -3.06 0.99 0.00 0.52 0.00 0.00 34.95 33.26 1s3g s ARG 160 CO 0.10 -0.70 1.78 0.00 0.02 0.00 0.00 175.30 176.49 1s3g h ALA 161 N 6.05 2.05 -0.03 2.13 0.00 -2.02 0.14 119.26 127.57 1s3g h ALA 161 Ca -0.45 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1s3g h ALA 161 Cb 1.21 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1s3g h ALA 161 CO 0.89 -0.44 0.00 -0.40 0.00 0.00 0.00 179.25 179.30 1s3g n ASP 162 N -4.68 0.67 -1.03 0.00 5.75 -1.26 -3.92 116.55 112.08 1s3g n ASP 162 Ca 0.24 -1.34 -0.00 0.00 -0.01 0.00 0.00 54.79 53.68 1s3g n ASP 162 Cb 0.77 -0.02 0.10 0.00 -1.03 0.00 0.00 41.12 40.95 1s3g n ASP 162 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1s3g n ASP 163 N -0.43 2.62 -4.89 -1.12 10.43 0.48 -4.08 116.55 119.57 1s3g n ASP 163 Ca 0.19 -2.33 -0.30 0.00 2.57 0.00 0.00 54.79 54.93 1s3g n ASP 163 Cb 0.20 -0.57 -0.03 0.00 1.84 0.00 0.00 41.12 42.56 1s3g n ASP 163 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 1s3g s ASN 164 N -0.09 6.49 0.17 -2.24 2.20 -1.25 -4.55 114.94 115.66 1s3g s ASN 164 Ca 0.16 1.00 -0.25 0.00 -0.94 0.00 0.00 52.86 52.84 1s3g s ASN 164 Cb 0.13 -2.27 0.05 0.00 -2.00 0.00 0.00 41.25 37.16 1s3g s ASN 164 CO 0.04 -0.35 1.58 1.55 -2.94 0.00 0.00 177.10 176.98 1s3g h PRO 165 N 1.32 -0.24 0.06 3.55 0.13 -1.95 -1.03 132.00 133.86 1s3g h PRO 165 Ca -0.47 0.02 0.02 0.00 -0.87 0.00 0.00 66.00 64.70 1s3g h PRO 165 Cb 1.19 0.05 -0.05 0.00 0.13 0.00 0.00 31.00 32.32 1s3g h PRO 165 CO 0.64 -0.16 -0.42 -0.44 -0.23 0.00 0.00 178.00 177.39 1s3g h ASP 166 N -0.25 -1.26 -0.94 1.44 3.45 -1.95 -1.92 116.42 115.00 1s3g h ASP 166 Ca 0.18 0.15 0.02 0.00 0.43 0.00 0.00 57.03 57.81 1s3g h ASP 166 Cb 0.56 0.48 -0.05 0.00 -0.56 0.00 0.00 39.33 39.76 1s3g h ASP 166 CO -0.63 -0.48 0.62 0.74 -1.57 0.00 0.00 179.24 177.92 1s3g h THR 167 N -0.62 1.19 -0.34 0.35 2.02 -1.82 -2.57 112.91 111.14 1s3g h THR 167 Ca 0.03 -0.42 0.03 0.00 0.77 0.00 0.00 66.41 66.83 1s3g h THR 167 Cb 0.67 -0.13 -0.03 0.00 -1.74 0.00 0.00 68.15 66.91 1s3g h THR 167 CO -0.28 0.22 0.13 0.58 0.37 0.00 0.00 175.52 176.54 1s3g h VAL 168 N 1.22 0.92 -0.58 3.16 2.07 -0.74 0.48 116.25 122.78 1s3g h VAL 168 Ca 0.36 -0.10 -0.04 0.00 0.82 0.00 0.00 66.70 67.75 1s3g h VAL 168 Cb -0.06 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 1s3g h VAL 168 CO -0.10 0.05 0.21 0.71 0.02 0.00 0.00 177.57 178.46 1s3g h THR 169 N 0.28 1.22 -0.28 2.57 1.35 -1.06 -0.30 112.91 116.68 1s3g h THR 169 Ca 0.15 -0.70 -0.18 0.00 -0.55 0.00 0.00 66.41 65.12 1s3g h THR 169 Cb 0.11 0.54 0.00 0.00 -1.73 0.00 0.00 68.15 67.07 1s3g h THR 169 CO -0.14 0.28 -0.54 -1.13 -0.25 0.00 0.00 175.52 173.74 1s3g h ASN 170 N 0.84 0.95 -0.25 5.36 -1.24 -0.98 -2.56 115.58 117.70 1s3g h ASN 170 Ca 0.20 -0.54 0.01 0.00 0.71 0.00 0.00 56.30 56.68 1s3g h ASN 170 Cb 0.20 -0.27 -0.02 0.00 0.73 0.00 0.00 38.32 38.96 1s3g h ASN 170 CO -0.01 1.31 0.13 0.03 -1.29 0.00 0.00 177.43 177.60 1s3g h ARG 171 N 0.63 0.27 -0.83 6.67 3.08 0.47 -1.08 114.38 123.59 1s3g h ARG 171 Ca 0.01 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 1s3g h ARG 171 Cb 1.15 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 31.09 1s3g h ARG 171 CO 0.12 0.18 0.47 -0.07 -1.07 0.00 0.00 179.97 179.60 1s3g h LEU 172 N 0.28 1.02 0.08 3.04 4.07 -1.06 -2.46 115.31 120.27 1s3g h LEU 172 Ca 0.10 -0.09 -0.00 0.00 0.08 0.00 0.00 57.88 57.97 1s3g h LEU 172 Cb 0.02 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 41.50 1s3g h LEU 172 CO -0.06 0.82 -0.04 -0.08 -1.08 0.00 0.00 178.44 178.00 1s3g h GLU 173 N 1.15 -0.10 -0.55 1.13 4.81 -1.22 -2.32 114.58 117.48 1s3g h GLU 173 Ca 0.29 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.60 1s3g h GLU 173 Cb 0.01 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.35 1s3g h GLU 173 CO -0.05 0.32 0.22 0.28 -0.73 0.00 0.00 179.01 179.05 1s3g h VAL 174 N -0.55 0.84 -0.32 0.32 2.07 -1.17 -1.41 116.25 116.03 1s3g h VAL 174 Ca -0.01 -0.14 -0.13 0.00 0.82 0.00 0.00 66.70 67.24 1s3g h VAL 174 Cb 0.47 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1s3g h VAL 174 CO 0.02 0.08 -0.32 0.78 0.02 0.00 0.00 177.57 178.14 1s3g h ASN 175 N 0.42 0.72 -0.05 0.57 2.35 -1.50 -2.88 115.58 115.22 1s3g h ASN 175 Ca 0.26 -0.29 -0.09 0.00 -0.55 0.00 0.00 56.30 55.63 1s3g h ASN 175 Cb 0.27 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 1s3g h ASN 175 CO -0.25 0.99 -0.21 -0.03 -1.65 0.00 0.00 177.43 176.28 1s3g h MET 176 N 0.59 0.45 -0.13 0.81 4.05 -1.02 -2.21 114.93 117.47 1s3g h MET 176 Ca 0.07 -0.15 0.04 0.00 -0.28 0.00 0.00 59.70 59.37 1s3g h MET 176 Cb 0.83 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.59 1s3g h MET 176 CO 0.07 0.64 0.33 -0.91 0.23 0.00 0.00 176.91 177.28 1s3g h ASN 177 N 0.41 0.00 0.00 1.39 -0.26 -1.03 -0.51 115.58 115.57 1s3g h ASN 177 Ca 0.07 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.81 1s3g h ASN 177 Cb 0.60 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.86 1s3g h ASN 177 CO 0.04 0.00 -1.52 0.00 -1.06 0.00 0.00 177.43 174.89 1s3g n GLN 178 N -3.23 0.78 0.32 0.81 1.13 -0.85 -4.81 117.38 111.53 1s3g n GLN 178 Ca 0.01 -0.12 -0.12 0.00 -1.94 0.00 0.00 57.00 54.83 1s3g n GLN 178 Cb 0.43 -1.37 -0.06 0.00 0.11 0.00 0.00 30.24 29.35 1s3g n GLN 178 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 1s3g h THR 179 N 0.00 0.00 -0.83 5.09 2.02 -0.83 -2.80 112.91 115.56 1s3g h THR 179 Ca 0.00 -0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.34 1s3g h THR 179 Cb 0.67 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 66.93 1s3g h THR 179 CO 0.00 0.00 -0.22 0.00 0.37 0.00 0.00 175.52 175.67 1s3g h ALA 180 N -1.62 0.50 -0.36 6.16 0.00 -1.88 0.48 119.26 122.54 1s3g h ALA 180 Ca -0.08 0.32 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 1s3g h ALA 180 Cb 0.62 0.66 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1s3g h ALA 180 CO 0.14 -0.42 0.02 -1.35 0.00 0.00 0.00 179.25 177.64 1s3g h PRO 181 N -0.01 0.63 -0.64 0.00 0.11 -1.90 -1.72 132.00 128.46 1s3g h PRO 181 Ca 0.39 -0.19 -0.01 0.00 0.11 0.00 0.00 66.00 66.30 1s3g h PRO 181 Cb 0.61 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 31.62 1s3g h PRO 181 CO -0.86 0.72 0.37 1.25 -0.21 0.00 0.00 178.00 179.27 1s3g h LEU 182 N 0.45 0.77 -0.49 2.35 5.85 -0.68 -0.00 115.31 123.56 1s3g h LEU 182 Ca 0.11 -0.05 -0.13 0.00 0.84 0.00 0.00 57.88 58.65 1s3g h LEU 182 Cb 0.42 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 1s3g h LEU 182 CO 0.01 0.61 -0.20 -0.07 -0.34 0.00 0.00 178.44 178.45 1s3g h LEU 183 N 0.88 1.02 -0.37 2.25 4.07 0.06 -2.78 115.31 120.44 1s3g h LEU 183 Ca 0.23 -0.39 -0.07 0.00 0.08 0.00 0.00 57.88 57.73 1s3g h LEU 183 Cb -0.01 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.44 1s3g h LEU 183 CO -0.04 1.18 -0.04 0.00 -1.08 0.00 0.00 178.44 178.46 1s3g h ALA 184 N 0.87 0.51 -0.33 1.53 0.00 -0.56 -0.43 119.26 120.85 1s3g h ALA 184 Ca 0.11 -0.28 0.07 0.00 0.00 0.00 0.00 54.91 54.81 1s3g h ALA 184 Cb 0.78 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 18.35 1s3g h ALA 184 CO 0.06 0.32 -0.37 0.35 0.00 0.00 0.00 179.25 179.61 1s3g h PHE 185 N 0.50 -1.06 -0.10 0.00 3.57 -0.92 0.28 116.94 119.21 1s3g h PHE 185 Ca 0.10 0.06 -0.13 0.00 3.53 0.00 0.00 57.97 61.53 1s3g h PHE 185 Cb 0.53 0.51 -0.01 0.00 2.79 0.00 0.00 35.95 39.77 1s3g h PHE 185 CO 0.04 -0.42 -0.50 1.88 -2.23 0.00 0.00 178.31 177.09 1s3g h TYR 186 N -0.33 0.31 -0.20 0.41 0.99 -1.42 -2.95 116.97 113.77 1s3g h TYR 186 Ca 0.14 -0.10 -0.12 0.00 2.00 0.00 0.00 58.73 60.65 1s3g h TYR 186 Cb 0.57 -0.06 -0.01 0.00 1.00 0.00 0.00 36.73 38.22 1s3g h TYR 186 CO -0.54 0.71 -0.37 0.22 -0.00 0.00 0.00 178.16 178.17 1s3g h ASP 187 N 0.20 0.46 0.42 3.88 1.82 -0.29 -1.71 116.42 121.20 1s3g h ASP 187 Ca 0.01 -0.19 0.00 0.00 -0.39 0.00 0.00 57.03 56.46 1s3g h ASP 187 Cb 0.96 -0.13 0.00 0.00 0.68 0.00 0.00 39.33 40.84 1s3g h ASP 187 CO 0.08 0.80 0.00 -1.20 -1.61 0.00 0.00 179.24 177.30 1s3g n SER 188 N -4.05 0.00 -0.76 2.28 7.64 0.02 -2.37 113.62 116.37 1s3g n SER 188 Ca -0.01 -0.34 0.09 0.00 1.01 0.00 0.00 58.87 59.61 1s3g n SER 188 Cb 0.48 -0.21 0.10 0.00 -1.01 0.00 0.00 64.21 63.57 1s3g n SER 188 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1s3g n LYS 189 N -1.21 1.68 -3.42 1.43 4.81 -0.68 -5.01 118.16 115.76 1s3g n LYS 189 Ca 0.16 -1.69 -0.21 0.00 -0.87 0.00 0.00 58.31 55.70 1s3g n LYS 189 Cb 0.20 -1.36 0.06 0.00 0.02 0.00 0.00 35.03 33.96 1s3g n LYS 189 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1s3g n GLU 190 N 1.03 -1.82 0.00 1.64 2.13 -0.97 -4.90 120.64 117.74 1s3g n GLU 190 Ca 0.12 0.72 0.00 0.00 0.66 0.00 0.00 57.16 58.66 1s3g n GLU 190 Cb 0.46 -5.15 0.00 0.00 0.27 0.00 0.00 31.44 27.02 1s3g n GLU 190 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 1s3g n VAL 191 N -3.56 0.00 -2.62 6.31 0.24 -1.15 -5.05 118.33 112.50 1s3g n VAL 191 Ca -0.08 0.00 -0.37 0.00 -2.04 0.00 0.00 64.34 61.86 1s3g n VAL 191 Cb 0.61 0.29 -0.05 0.00 -1.47 0.00 0.00 33.84 33.22 1s3g n VAL 191 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1s3g s LEU 192 N 0.00 4.20 -0.15 1.34 2.96 -1.23 -1.73 118.68 124.06 1s3g s LEU 192 Ca 0.00 1.98 -0.05 0.00 -0.22 0.00 0.00 54.13 55.84 1s3g s LEU 192 Cb 0.00 -4.14 0.08 0.00 0.50 0.00 0.00 46.19 42.63 1s3g s LEU 192 CO 0.00 -0.36 0.27 -0.69 -1.32 0.00 0.00 176.35 174.25 1s3g s VAL 193 N -1.65 -0.43 0.36 1.68 1.01 -0.60 -4.94 120.40 115.84 1s3g s VAL 193 Ca 0.55 0.18 -0.20 0.00 0.00 0.00 0.00 61.98 62.51 1s3g s VAL 193 Cb -0.21 -0.52 -0.10 0.00 0.00 0.00 0.00 36.38 35.55 1s3g s VAL 193 CO 0.26 0.04 0.87 0.20 0.00 0.00 0.00 175.10 176.48 1s3g s ASN 194 N 2.42 6.98 -0.05 3.32 0.01 -1.26 -1.20 114.94 125.17 1s3g s ASN 194 Ca 0.03 1.59 -0.02 0.00 -0.71 0.00 0.00 52.86 53.75 1s3g s ASN 194 Cb -0.13 -2.49 0.04 0.00 0.41 0.00 0.00 41.25 39.07 1s3g s ASN 194 CO -0.10 -0.23 0.10 -0.63 -1.51 0.00 0.00 177.10 174.74 1s3g s ILE 195 N -1.96 -0.09 -0.35 0.60 1.01 -0.27 -4.90 121.20 115.24 1s3g s ILE 195 Ca 0.56 0.24 -0.28 0.00 0.00 0.00 0.00 60.65 61.17 1s3g s ILE 195 Cb -0.12 -0.19 -0.03 0.00 0.01 0.00 0.00 42.46 42.13 1s3g s ILE 195 CO 0.17 0.10 1.96 0.21 0.00 0.00 0.00 174.94 177.38 1s3g s ASN 196 N 1.38 5.58 0.00 3.58 3.84 -1.26 -1.09 114.94 126.97 1s3g s ASN 196 Ca -0.06 1.31 0.25 0.00 0.21 0.00 0.00 52.86 54.57 1s3g s ASN 196 Cb -0.12 -2.52 0.50 0.00 -0.55 0.00 0.00 41.25 38.56 1s3g s ASN 196 CO -0.05 -1.96 1.41 0.61 -2.79 0.00 0.00 177.10 174.32 1s3g n GLY 197 N 5.59 -0.30 1.84 1.21 0.00 -0.46 -4.39 105.19 108.69 1s3g n GLY 197 Ca 0.26 -0.50 -0.09 0.00 0.00 0.00 0.00 46.02 45.68 1s3g n GLY 197 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1s3g n GLN 198 N -0.31 1.63 -4.14 1.61 7.27 -1.24 -4.81 117.38 117.38 1s3g n GLN 198 Ca 0.12 -0.82 -0.18 0.00 0.07 0.00 0.00 57.00 56.19 1s3g n GLN 198 Cb 0.40 -1.58 -0.07 0.00 2.41 0.00 0.00 30.24 31.40 1s3g n GLN 198 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 1s3g n LYS 199 N 1.69 0.43 -1.74 3.69 5.02 -1.26 -5.13 118.16 120.86 1s3g n LYS 199 Ca 0.25 -3.18 -0.41 0.00 -2.02 0.00 0.00 58.31 52.95 1s3g n LYS 199 Cb 0.68 2.66 0.01 0.00 -0.02 0.00 0.00 35.03 38.36 1s3g n LYS 199 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1s3g n ASP 200 N -1.71 3.11 -0.23 4.39 8.00 -1.26 -4.75 116.55 124.09 1s3g n ASP 200 Ca 0.07 1.14 0.00 0.00 0.71 0.00 0.00 54.79 56.71 1s3g n ASP 200 Cb 0.59 -1.56 0.07 0.00 -0.02 0.00 0.00 41.12 40.20 1s3g n ASP 200 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1s3g h ILE 201 N 2.36 0.32 -0.64 0.53 2.04 -1.98 -0.17 117.51 119.97 1s3g h ILE 201 Ca -0.49 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.41 1s3g h ILE 201 Cb 1.27 0.32 -0.05 0.00 -0.74 0.00 0.00 36.82 37.62 1s3g h ILE 201 CO 0.61 0.00 0.37 0.50 0.00 0.00 0.00 178.15 179.63 1s3g h LYS 202 N -0.00 0.68 -0.25 2.37 3.64 -2.00 -1.99 116.57 119.02 1s3g h LYS 202 Ca 0.33 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.56 1s3g h LYS 202 Cb 0.50 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 1s3g h LYS 202 CO -0.70 0.45 -0.29 -0.44 -2.27 0.00 0.00 179.45 176.20 1s3g h ASP 203 N 0.70 0.52 0.09 4.20 5.19 -1.45 -2.35 116.42 123.32 1s3g h ASP 203 Ca 0.27 -0.19 -0.10 0.00 -0.62 0.00 0.00 57.03 56.40 1s3g h ASP 203 Cb 0.12 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 39.47 1s3g h ASP 203 CO -0.15 0.79 -0.32 0.58 -3.12 0.00 0.00 179.24 177.02 1s3g h VAL 204 N 0.44 1.28 -0.50 -1.35 2.07 -0.74 -2.83 116.25 114.63 1s3g h VAL 204 Ca 0.06 -1.35 -0.12 0.00 0.82 0.00 0.00 66.70 66.11 1s3g h VAL 204 Cb 0.73 1.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.98 1s3g h VAL 204 CO 0.06 0.41 -0.17 0.15 0.02 0.00 0.00 177.57 178.04 1s3g h PHE 205 N 0.30 1.11 -0.62 1.57 3.04 -1.00 -2.55 116.94 118.78 1s3g h PHE 205 Ca 0.04 -0.25 -0.01 0.00 3.98 0.00 0.00 57.97 61.73 1s3g h PHE 205 Cb 0.72 -0.27 -0.03 0.00 2.56 0.00 0.00 35.95 38.93 1s3g h PHE 205 CO 0.02 1.06 0.36 0.87 -2.02 0.00 0.00 178.31 178.60 1s3g h LYS 206 N 0.86 0.84 -0.05 1.11 1.57 -1.20 0.63 116.57 120.33 1s3g h LYS 206 Ca 0.12 -0.07 -0.09 0.00 -1.87 0.00 0.00 60.65 58.74 1s3g h LYS 206 Cb 0.73 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 1s3g h LYS 206 CO 0.06 0.60 -0.36 -0.44 -0.57 0.00 0.00 179.45 178.74 1s3g h ASP 207 N 0.86 0.10 0.28 0.86 3.45 -1.28 -1.91 116.42 118.77 1s3g h ASP 207 Ca 0.22 -0.04 -0.29 0.00 0.43 0.00 0.00 57.03 57.36 1s3g h ASP 207 Cb -0.02 -0.03 0.02 0.00 -0.56 0.00 0.00 39.33 38.75 1s3g h ASP 207 CO -0.04 0.46 -1.21 -0.07 -1.57 0.00 0.00 179.24 176.81 1s3g h LEU 208 N 0.09 0.73 -0.30 1.55 3.38 -0.69 -3.31 115.31 116.75 1s3g h LEU 208 Ca 0.01 -0.68 0.02 0.00 0.09 0.00 0.00 57.88 57.32 1s3g h LEU 208 Cb 0.69 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 1s3g h LEU 208 CO 0.05 1.50 0.14 -0.78 0.09 0.00 0.00 178.44 179.44 1s3g h ASP 209 N 0.22 0.19 -0.90 -0.43 -0.00 0.52 -2.27 116.42 113.75 1s3g h ASP 209 Ca -0.16 0.02 0.23 0.00 -0.00 0.00 0.00 57.03 57.11 1s3g h ASP 209 Cb 1.89 -0.02 -0.13 0.00 -0.00 0.00 0.00 39.33 41.08 1s3g h ASP 209 CO 0.22 0.15 0.40 0.58 -0.00 0.00 0.00 179.24 180.59 1s3g h VAL 210 N 0.29 0.46 0.07 2.25 2.07 -1.44 0.82 116.25 120.77 1s3g h VAL 210 Ca 0.13 -0.13 -0.26 0.00 0.82 0.00 0.00 66.70 67.25 1s3g h VAL 210 Cb 0.06 0.03 0.02 0.00 -1.52 0.00 0.00 31.29 29.89 1s3g h VAL 210 CO -0.10 0.07 -1.06 0.40 0.02 0.00 0.00 177.57 176.90 1s3g h ILE 211 N 0.39 1.32 -0.43 4.57 2.04 -1.62 -3.30 117.51 120.47 1s3g h ILE 211 Ca 0.57 -2.34 -0.12 0.00 1.00 0.00 0.00 64.86 63.97 1s3g h ILE 211 Cb 1.09 2.62 -0.01 0.00 -0.74 0.00 0.00 36.82 39.78 1s3g h ILE 211 CO -0.54 0.71 -0.19 -0.07 0.00 0.00 0.00 178.15 178.06 1s3g h LEU 212 N 0.21 0.91 -1.30 1.44 3.38 -0.68 -2.50 115.31 116.77 1s3g h LEU 212 Ca -0.15 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.42 1s3g h LEU 212 Cb 1.75 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 42.25 1s3g h LEU 212 CO 0.21 1.10 0.00 0.00 0.09 0.00 0.00 178.44 179.84 1s3g n GLN 213 N -4.21 0.69 0.00 1.13 10.64 0.28 -4.87 117.38 121.04 1s3g n GLN 213 Ca -0.01 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.16 1s3g n GLN 213 Cb 0.43 -1.29 0.00 0.00 -0.86 0.00 0.00 30.24 28.52 1s3g n GLN 213 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1s3g n GLY 214 N 0.31 0.06 0.00 2.61 0.00 -0.94 -4.86 105.19 102.37 1s3g n GLY 214 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.39 1s3g n GLY 214 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1s3g n ASN 215 N 0.45 0.00 -4.12 1.61 3.02 -1.26 -4.78 115.26 110.18 1s3g n ASN 215 Ca 0.00 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.19 1s3g n ASN 215 Cb 0.00 0.00 0.08 0.00 -0.61 0.00 0.00 39.78 39.25 1s3g n ASN 215 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1s3g n GLY 216 N 0.00 -2.95 0.00 7.41 0.00 -1.26 -4.85 105.19 103.54 1s3g n GLY 216 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.57 1s3g n GLY 216 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14