#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g4r h VAL 3 N 0.00 1.17 -0.23 2.46 3.04 -1.88 -0.98 116.25 119.83 3g4r h VAL 3 Ca 0.00 -0.76 -0.15 0.00 -1.01 0.00 0.00 66.70 64.77 3g4r h VAL 3 Cb 0.00 1.26 -0.01 0.00 -2.01 0.00 0.00 31.29 30.54 3g4r h VAL 3 CO 0.00 0.23 -0.49 1.88 -1.01 0.00 0.00 177.57 178.18 3g4r h TYR 4 N 0.16 0.77 -0.07 3.17 0.05 -1.97 -0.64 116.97 118.45 3g4r h TYR 4 Ca 0.03 -0.25 -0.18 0.00 0.05 0.00 0.00 58.73 58.38 3g4r h TYR 4 Cb 0.37 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 37.95 3g4r h TYR 4 CO 0.00 0.99 -0.72 -0.44 -1.05 0.00 0.00 178.16 176.95 3g4r h ASP 5 N 0.49 0.40 -0.43 3.88 3.32 -1.88 -2.65 116.42 119.56 3g4r h ASP 5 Ca 0.02 -0.26 -0.06 0.00 0.02 0.00 0.00 57.03 56.75 3g4r h ASP 5 Cb 1.03 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.45 3g4r h ASP 5 CO 0.10 0.99 0.02 0.00 -1.72 0.00 0.00 179.24 178.63 3g4r h ALA 6 N 1.00 0.57 -0.01 3.45 0.00 -1.03 -2.58 119.26 120.66 3g4r h ALA 6 Ca -0.03 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 3g4r h ALA 6 Cb 1.28 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 3g4r h ALA 6 CO 0.12 0.33 -0.11 0.00 0.00 0.00 0.00 179.25 179.59 3g4r h ALA 7 N 0.91 1.80 0.00 0.00 0.00 -1.07 -1.29 119.26 119.62 3g4r h ALA 7 Ca 0.12 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3g4r h ALA 7 Cb 0.45 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3g4r h ALA 7 CO 0.02 0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.42 3g4r n ALA 8 N -2.52 1.63 0.91 0.00 0.00 -0.98 -2.09 120.51 117.46 3g4r n ALA 8 Ca -0.03 0.07 0.14 0.00 0.00 0.00 0.00 53.44 53.62 3g4r n ALA 8 Cb 0.19 -1.36 0.57 0.00 0.00 0.00 0.00 19.45 18.85 3g4r n ALA 8 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3g4r n GLN 9 N -2.13 0.05 -2.73 0.00 1.13 -0.48 -4.44 117.38 108.78 3g4r n GLN 9 Ca 0.02 0.05 -0.43 0.00 -1.94 0.00 0.00 57.00 54.70 3g4r n GLN 9 Cb 0.21 -1.56 -0.01 0.00 0.11 0.00 0.00 30.24 28.99 3g4r n GLN 9 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3g4r s LEU 10 N -3.30 4.29 0.99 1.08 1.43 -0.89 -4.93 118.68 117.36 3g4r s LEU 10 Ca 0.13 -2.45 -0.16 0.00 -1.03 0.00 0.00 54.13 50.63 3g4r s LEU 10 Cb 0.17 -2.50 0.19 0.00 0.03 0.00 0.00 46.19 44.08 3g4r s LEU 10 CO 0.53 -1.07 1.22 0.42 0.23 0.00 0.00 176.35 177.68 3g4r s THR 11 N 3.34 1.91 0.20 5.49 -4.23 -1.26 -4.71 115.64 116.38 3g4r s THR 11 Ca 0.47 0.00 -0.11 0.00 -1.18 0.00 0.00 61.69 60.88 3g4r s THR 11 Cb 0.00 -2.84 0.14 0.00 1.34 0.00 0.00 72.50 71.15 3g4r s THR 11 CO 0.01 0.00 1.71 0.00 -0.54 0.00 0.00 174.62 175.81 3g4r h ALA 12 N -1.76 0.68 -0.69 3.99 0.00 -1.98 -0.29 119.26 119.21 3g4r h ALA 12 Ca -0.46 0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.49 3g4r h ALA 12 Cb 1.28 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 19.19 3g4r h ALA 12 CO 0.45 -0.29 0.13 -0.44 0.00 0.00 0.00 179.25 179.10 3g4r h ASP 13 N 0.27 1.08 -0.27 0.00 3.32 -1.99 -1.74 116.42 117.09 3g4r h ASP 13 Ca 0.29 -0.25 -0.04 0.00 0.02 0.00 0.00 57.03 57.05 3g4r h ASP 13 Cb 0.41 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 3g4r h ASP 13 CO -0.37 1.05 -0.00 0.58 -1.72 0.00 0.00 179.24 178.79 3g4r h VAL 14 N 1.06 1.26 -0.88 -1.35 2.07 -1.75 -1.94 116.25 114.71 3g4r h VAL 14 Ca 0.21 -0.92 0.00 0.00 0.82 0.00 0.00 66.70 66.82 3g4r h VAL 14 Cb 0.42 1.33 -0.04 0.00 -1.52 0.00 0.00 31.29 31.47 3g4r h VAL 14 CO 0.01 0.29 0.56 0.11 0.02 0.00 0.00 177.57 178.57 3g4r h LYS 15 N 0.26 1.17 -0.36 1.57 1.57 -0.95 -0.98 116.57 118.84 3g4r h LYS 15 Ca 0.08 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 3g4r h LYS 15 Cb 0.42 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 3g4r h LYS 15 CO 0.01 0.79 0.10 -0.22 -0.57 0.00 0.00 179.45 179.56 3g4r h LYS 16 N 1.20 0.58 -0.30 3.15 1.63 -1.15 -1.11 116.57 120.57 3g4r h LYS 16 Ca 0.32 -0.13 -0.07 0.00 -0.85 0.00 0.00 60.65 59.92 3g4r h LYS 16 Cb -0.11 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 31.43 3g4r h LYS 16 CO -0.07 0.61 -0.10 -0.44 -3.45 0.00 0.00 179.45 176.00 3g4r h ASP 17 N 0.44 0.47 -0.20 4.20 3.32 -0.88 -0.13 116.42 123.64 3g4r h ASP 17 Ca 0.12 -0.12 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 3g4r h ASP 17 Cb 0.28 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 3g4r h ASP 17 CO -0.00 0.62 -0.01 -0.07 -1.72 0.00 0.00 179.24 178.06 3g4r h LEU 18 N 0.46 0.35 -0.26 1.55 3.38 -0.93 -2.23 115.31 117.63 3g4r h LEU 18 Ca 0.09 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 3g4r h LEU 18 Cb 0.46 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 3g4r h LEU 18 CO 0.03 0.59 0.09 0.03 0.09 0.00 0.00 178.44 179.26 3g4r h ARG 19 N 0.11 0.40 -0.65 1.13 3.08 -0.92 -0.92 114.38 116.61 3g4r h ARG 19 Ca 0.06 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 3g4r h ARG 19 Cb 0.41 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.37 3g4r h ARG 19 CO 0.01 0.45 0.38 -0.44 -1.07 0.00 0.00 179.97 179.30 3g4r h ASP 20 N 0.26 0.79 0.37 7.04 3.32 -1.04 -1.54 116.42 125.63 3g4r h ASP 20 Ca 0.09 -0.07 -0.19 0.00 0.02 0.00 0.00 57.03 56.88 3g4r h ASP 20 Cb 0.21 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 3g4r h ASP 20 CO -0.01 0.63 -0.77 0.77 -1.72 0.00 0.00 179.24 178.14 3g4r h SER 21 N 0.88 0.39 0.07 6.45 4.64 -1.37 -3.19 113.55 121.42 3g4r h SER 21 Ca 0.23 -0.27 -0.08 0.00 -0.47 0.00 0.00 61.79 61.20 3g4r h SER 21 Cb -0.01 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 61.95 3g4r h SER 21 CO -0.04 1.02 -0.25 -0.25 -0.87 0.00 0.00 176.83 176.44 3g4r h TRP 22 N 0.21 0.34 -0.90 4.77 2.91 -0.88 -1.26 115.95 121.13 3g4r h TRP 22 Ca -0.04 -0.06 0.12 0.00 1.13 0.00 0.00 58.89 60.05 3g4r h TRP 22 Cb 1.36 -0.09 -0.07 0.00 -0.51 0.00 0.00 29.16 29.85 3g4r h TRP 22 CO 0.04 0.54 0.58 -0.22 -1.03 0.00 0.00 178.44 178.34 3g4r h LYS 23 N 0.27 0.76 0.00 2.65 3.64 -1.27 0.46 116.57 123.08 3g4r h LYS 23 Ca 0.04 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 3g4r h LYS 23 Cb 0.59 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 3g4r h LYS 23 CO 0.04 0.50 -0.31 0.28 -2.27 0.00 0.00 179.45 177.70 3g4r h VAL 24 N 0.78 1.05 -0.56 2.00 2.07 -1.57 -3.32 116.25 116.70 3g4r h VAL 24 Ca 0.44 -1.89 -0.05 0.00 0.82 0.00 0.00 66.70 66.03 3g4r h VAL 24 Cb 0.59 2.08 -0.02 0.00 -1.52 0.00 0.00 31.29 32.41 3g4r h VAL 24 CO -0.20 0.35 0.17 0.40 0.02 0.00 0.00 177.57 178.31 3g4r h ILE 25 N -1.00 1.24 0.00 4.57 1.08 -1.11 -2.70 117.51 119.59 3g4r h ILE 25 Ca -0.07 -0.82 0.00 0.00 -0.39 0.00 0.00 64.86 63.58 3g4r h ILE 25 Cb 0.79 0.71 0.00 0.00 -3.07 0.00 0.00 36.82 35.25 3g4r h ILE 25 CO -0.04 0.31 0.00 0.61 -0.69 0.00 0.00 178.15 178.33 3g4r n GLY 26 N -0.69 -0.83 0.14 5.37 0.00 0.16 -2.74 105.19 106.60 3g4r n GLY 26 Ca 0.03 -0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.10 3g4r n GLY 26 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3g4r h SER 27 N 0.00 0.00 -2.31 1.61 4.64 -1.57 -3.34 113.55 112.58 3g4r h SER 27 Ca 0.00 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.74 3g4r h SER 27 Cb 0.16 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 61.87 3g4r h SER 27 CO 0.00 0.00 -0.97 -0.67 -0.87 0.00 0.00 176.83 174.32 3g4r n ASP 28 N -2.39 0.10 -0.25 4.97 2.03 -1.11 -4.99 116.55 114.92 3g4r n ASP 28 Ca 0.03 -2.56 -0.07 0.00 0.52 0.00 0.00 54.79 52.72 3g4r n ASP 28 Cb 0.34 -0.59 0.04 0.00 -0.72 0.00 0.00 41.12 40.19 3g4r n ASP 28 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 3g4r h LYS 29 N 5.10 1.04 0.08 -0.67 1.57 -1.75 -1.14 116.57 120.81 3g4r h LYS 29 Ca 0.20 -0.20 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3g4r h LYS 29 Cb 0.88 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.03 3g4r h LYS 29 CO 0.44 0.87 -0.04 -0.22 -0.57 0.00 0.00 179.45 179.93 3g4r h LYS 30 N 0.98 -0.11 0.01 3.15 3.64 -1.92 0.11 116.57 122.44 3g4r h LYS 30 Ca 0.23 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.61 3g4r h LYS 30 Cb 0.24 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 3g4r h LYS 30 CO -0.01 0.18 -0.00 0.78 -2.27 0.00 0.00 179.45 178.12 3g4r h GLY 31 N -0.40 -0.01 2.00 5.01 0.00 -1.97 -2.33 103.07 105.37 3g4r h GLY 31 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.20 3g4r h GLY 31 CO 0.02 -0.00 -0.61 3.43 0.00 0.00 0.00 176.54 179.38 3g4r h ASN 32 N -0.19 0.00 -0.29 0.19 2.35 -1.29 -2.20 115.58 114.15 3g4r h ASN 32 Ca -0.00 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.67 3g4r h ASN 32 Cb 0.19 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 3g4r h ASN 32 CO 0.00 0.61 -0.11 1.23 -1.65 0.00 0.00 177.43 177.51 3g4r h GLY 33 N 2.57 0.64 1.45 2.83 0.00 -0.76 -0.61 103.07 109.19 3g4r h GLY 33 Ca -0.01 -0.56 -0.12 0.00 0.00 0.00 0.00 47.33 46.65 3g4r h GLY 33 CO 0.08 0.51 -0.32 -2.08 0.00 0.00 0.00 176.54 174.73 3g4r h VAL 34 N 0.34 1.28 -0.78 4.60 2.07 -1.44 -2.27 116.25 120.06 3g4r h VAL 34 Ca 0.07 -1.43 -0.03 0.00 0.82 0.00 0.00 66.70 66.12 3g4r h VAL 34 Cb 0.62 1.40 -0.04 0.00 -1.52 0.00 0.00 31.29 31.75 3g4r h VAL 34 CO 0.04 0.46 0.36 0.00 0.02 0.00 0.00 177.57 178.44 3g4r h ALA 35 N 1.13 1.01 -0.32 1.67 0.00 -1.23 0.13 119.26 121.65 3g4r h ALA 35 Ca 0.06 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3g4r h ALA 35 Cb 0.80 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3g4r h ALA 35 CO 0.07 0.59 0.16 1.25 0.00 0.00 0.00 179.25 181.32 3g4r h LEU 36 N 1.11 0.41 -0.24 0.00 5.85 -0.85 -1.83 115.31 119.75 3g4r h LEU 36 Ca 0.27 -0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.82 3g4r h LEU 36 Cb 0.15 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 3g4r h LEU 36 CO -0.03 0.40 -0.07 0.24 -0.34 0.00 0.00 178.44 178.64 3g4r h MET 37 N 0.38 0.47 -0.15 1.25 2.86 -1.09 -1.91 114.93 116.73 3g4r h MET 37 Ca 0.11 -0.18 -0.04 0.00 -2.06 0.00 0.00 59.70 57.52 3g4r h MET 37 Cb 0.10 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 3g4r h MET 37 CO -0.02 0.70 -0.09 1.79 1.06 0.00 0.00 176.91 180.35 3g4r h THR 38 N 0.20 1.16 -0.31 2.22 1.35 -0.96 -1.17 112.91 115.40 3g4r h THR 38 Ca 0.06 -0.68 -0.15 0.00 -0.55 0.00 0.00 66.41 65.09 3g4r h THR 38 Cb 0.54 1.15 -0.00 0.00 -1.73 0.00 0.00 68.15 68.10 3g4r h THR 38 CO 0.03 0.21 -0.40 0.74 -0.25 0.00 0.00 175.52 175.85 3g4r h THR 39 N 0.23 1.29 -0.30 6.82 2.02 -1.21 -1.08 112.91 120.67 3g4r h THR 39 Ca 0.05 -1.58 0.02 0.00 0.77 0.00 0.00 66.41 65.66 3g4r h THR 39 Cb 0.31 1.57 -0.02 0.00 -1.74 0.00 0.00 68.15 68.27 3g4r h THR 39 CO 0.02 0.52 0.15 0.25 0.37 0.00 0.00 175.52 176.83 3g4r h LEU 40 N 0.59 0.24 -1.08 2.58 5.85 -0.65 -0.76 115.31 122.07 3g4r h LEU 40 Ca 0.04 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.68 3g4r h LEU 40 Cb 1.00 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 3g4r h LEU 40 CO 0.09 0.18 -0.32 -0.26 -0.34 0.00 0.00 178.44 177.79 3g4r h PHE 41 N 0.32 0.27 -0.04 1.25 0.04 -1.16 0.12 116.94 117.73 3g4r h PHE 41 Ca 0.12 -0.06 -0.22 0.00 2.80 0.00 0.00 57.97 60.62 3g4r h PHE 41 Cb 0.03 -0.06 0.02 0.00 2.20 0.00 0.00 35.95 38.13 3g4r h PHE 41 CO -0.09 0.54 -0.82 0.00 -0.60 0.00 0.00 178.31 177.34 3g4r h ALA 42 N 1.46 0.16 0.00 2.45 0.00 -0.80 -3.09 119.26 119.43 3g4r h ALA 42 Ca 0.03 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.31 3g4r h ALA 42 Cb 0.68 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3g4r h ALA 42 CO 0.05 0.57 -0.80 -0.25 0.00 0.00 0.00 179.25 178.82 3g4r n ASP 43 N -4.00 0.66 -3.19 0.00 8.00 -0.33 -4.43 116.55 113.26 3g4r n ASP 43 Ca -0.10 -0.02 -0.22 0.00 0.71 0.00 0.00 54.79 55.16 3g4r n ASP 43 Cb 0.77 0.44 -0.05 0.00 -0.02 0.00 0.00 41.12 42.26 3g4r n ASP 43 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3g4r n ASN 44 N -2.04 1.18 0.07 -2.24 4.13 0.03 -4.96 115.26 111.42 3g4r n ASN 44 Ca 0.03 -2.98 0.21 0.00 1.68 0.00 0.00 54.58 53.51 3g4r n ASN 44 Cb 0.44 -0.63 0.74 0.00 -1.54 0.00 0.00 39.78 38.79 3g4r n ASN 44 CO 0.00 0.00 0.00 1.56 0.28 0.00 0.00 177.26 179.10 3g4r h GLN 45 N 3.53 0.00 0.00 3.52 4.20 -1.73 -1.31 115.11 123.32 3g4r h GLN 45 Ca 0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 3g4r h GLN 45 Cb 0.86 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.64 3g4r h GLN 45 CO 0.55 0.00 0.00 -0.85 -0.67 0.00 0.00 178.83 177.86 3g4r n GLU 46 N -3.78 0.23 0.01 1.46 0.00 -1.26 -2.36 120.64 114.94 3g4r n GLU 46 Ca 0.08 0.13 0.11 0.00 0.00 0.00 0.00 57.16 57.48 3g4r n GLU 46 Cb 0.64 -1.50 -0.05 0.00 0.00 0.00 0.00 31.44 30.53 3g4r n GLU 46 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 3g4r n THR 47 N -1.27 0.04 -0.18 3.84 -2.24 -0.49 -4.39 114.28 109.59 3g4r n THR 47 Ca 0.08 -0.13 0.10 0.00 -2.27 0.00 0.00 64.05 61.82 3g4r n THR 47 Cb 0.12 0.58 0.40 0.00 -2.10 0.00 0.00 70.33 69.33 3g4r n THR 47 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 3g4r h ILE 48 N 0.00 0.93 -0.76 2.28 2.04 -1.63 -2.35 117.51 118.02 3g4r h ILE 48 Ca 0.00 -0.22 0.15 0.00 1.00 0.00 0.00 64.86 65.79 3g4r h ILE 48 Cb 0.63 0.24 -0.05 0.00 -0.74 0.00 0.00 36.82 36.89 3g4r h ILE 48 CO 0.00 0.12 0.51 1.23 0.00 0.00 0.00 178.15 180.00 3g4r h GLY 49 N 0.64 0.75 2.00 5.37 0.00 -1.80 -0.83 103.07 109.20 3g4r h GLY 49 Ca 0.34 -0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.46 3g4r h GLY 49 CO -0.12 0.07 -0.12 -0.97 0.00 0.00 0.00 176.54 175.39 3g4r h TYR 50 N 0.44 0.00 -0.89 5.60 0.05 -1.73 -3.09 116.97 117.35 3g4r h TYR 50 Ca 0.37 0.00 -0.46 0.00 0.05 0.00 0.00 58.73 58.70 3g4r h TYR 50 Cb 0.82 0.00 -0.27 0.00 1.01 0.00 0.00 36.73 38.29 3g4r h TYR 50 CO -0.00 0.12 0.58 1.19 -1.05 0.00 0.00 178.16 179.00 3g4r n PHE 51 N -3.59 2.76 -0.25 4.88 3.72 -0.32 -4.67 117.46 119.99 3g4r n PHE 51 Ca -0.02 -1.69 0.23 0.00 -0.05 0.00 0.00 57.45 55.92 3g4r n PHE 51 Cb 0.25 -0.87 0.57 0.00 -0.94 0.00 0.00 39.48 38.49 3g4r n PHE 51 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 3g4r h LYS 52 N 0.97 0.29 0.00 -1.08 3.64 -1.66 -1.17 116.57 117.56 3g4r h LYS 52 Ca 0.56 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.89 3g4r h LYS 52 Cb 2.68 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 34.43 3g4r h LYS 52 CO 0.99 0.19 -0.17 -0.09 -2.27 0.00 0.00 179.45 178.10 3g4r h ARG 53 N 0.30 0.00 0.00 1.90 2.43 -1.91 -2.64 114.38 114.46 3g4r h ARG 53 Ca 0.50 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.67 3g4r h ARG 53 Cb 1.43 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.98 3g4r h ARG 53 CO -0.16 0.17 0.00 1.28 -1.51 0.00 0.00 179.97 179.75 3g4r n LEU 54 N -4.19 0.00 0.00 3.80 4.77 -0.44 -5.01 117.00 115.93 3g4r n LEU 54 Ca -0.02 0.44 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 3g4r n LEU 54 Cb 0.24 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 3g4r n LEU 54 CO 0.35 -0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 3g4r n GLY 55 N 1.06 0.25 3.55 -0.72 0.00 -1.00 -4.51 105.19 103.82 3g4r n GLY 55 Ca 0.08 -1.00 -0.41 0.00 0.00 0.00 0.00 46.02 44.68 3g4r n GLY 55 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3g4r s ASP 56 N -4.00 6.40 0.32 1.61 2.15 -1.26 -4.86 116.67 117.04 3g4r s ASP 56 Ca 0.00 -1.18 0.25 0.00 0.43 0.00 0.00 52.55 52.05 3g4r s ASP 56 Cb 0.00 -2.55 1.14 0.00 -0.30 0.00 0.00 42.92 41.20 3g4r s ASP 56 CO 0.00 -1.58 1.76 -0.37 -0.17 0.00 0.00 175.17 174.81 3g4r h VAL 57 N 6.51 0.00 0.00 1.11 -1.51 -1.94 -2.63 116.25 117.80 3g4r h VAL 57 Ca 0.05 -0.19 0.00 0.00 -1.23 0.00 0.00 66.70 65.33 3g4r h VAL 57 Cb 1.02 0.90 0.00 0.00 -2.13 0.00 0.00 31.29 31.08 3g4r h VAL 57 CO 1.36 0.00 0.00 -1.54 -1.23 0.00 0.00 177.57 176.16 3g4r n SER 58 N -2.37 0.14 0.06 4.19 3.41 -1.26 -2.00 113.62 115.78 3g4r n SER 58 Ca 0.01 0.53 0.12 0.00 -0.26 0.00 0.00 58.87 59.27 3g4r n SER 58 Cb 0.18 -0.56 0.48 0.00 -0.26 0.00 0.00 64.21 64.05 3g4r n SER 58 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3g4r n GLN 59 N -1.65 0.13 0.00 4.33 6.02 -0.99 -4.97 117.38 120.25 3g4r n GLN 59 Ca 0.04 0.18 0.00 0.00 -0.01 0.00 0.00 57.00 57.21 3g4r n GLN 59 Cb 0.20 -1.67 0.00 0.00 1.02 0.00 0.00 30.24 29.78 3g4r n GLN 59 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3g4r n GLY 60 N 0.98 3.60 0.32 1.08 0.00 -0.85 -2.31 105.19 108.00 3g4r n GLY 60 Ca 0.05 -0.02 0.15 0.00 0.00 0.00 0.00 46.02 46.21 3g4r n GLY 60 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3g4r h MET 61 N 0.00 0.00 0.00 1.61 1.85 -1.93 -1.65 114.93 114.81 3g4r h MET 61 Ca 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.09 3g4r h MET 61 Cb 0.00 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.03 3g4r h MET 61 CO 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 176.91 176.51 3g4r h ALA 62 N 1.86 1.00 -1.90 0.39 0.00 -1.88 -3.42 119.26 115.31 3g4r h ALA 62 Ca 0.07 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.38 3g4r h ALA 62 Cb 0.35 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.03 3g4r h ALA 62 CO -0.00 0.00 0.60 1.21 0.00 0.00 0.00 179.25 181.05 3g4r s ASN 63 N -5.44 6.49 0.25 0.00 3.84 -0.62 -4.94 114.94 114.52 3g4r s ASN 63 Ca 0.03 0.10 -0.05 0.00 0.21 0.00 0.00 52.86 53.14 3g4r s ASN 63 Cb 0.09 -2.45 0.31 0.00 -0.55 0.00 0.00 41.25 38.64 3g4r s ASN 63 CO 0.53 -1.07 1.90 0.44 -2.79 0.00 0.00 177.10 176.11 3g4r h ASP 64 N 9.10 1.06 -0.49 -4.21 3.32 -1.86 -0.78 116.42 122.56 3g4r h ASP 64 Ca -0.24 -0.01 -0.10 0.00 0.02 0.00 0.00 57.03 56.69 3g4r h ASP 64 Cb 1.07 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.36 3g4r h ASP 64 CO 1.04 0.73 -0.08 0.11 -1.72 0.00 0.00 179.24 179.31 3g4r h LYS 65 N 1.23 0.95 -0.50 3.56 1.57 -1.92 -0.90 116.57 120.55 3g4r h LYS 65 Ca 0.38 -0.33 -0.12 0.00 -1.87 0.00 0.00 60.65 58.72 3g4r h LYS 65 Cb -0.01 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 3g4r h LYS 65 CO -0.12 0.99 -0.15 1.25 -0.57 0.00 0.00 179.45 180.86 3g4r h LEU 66 N 0.86 0.98 -0.39 2.94 5.85 -1.68 -1.10 115.31 122.78 3g4r h LEU 66 Ca 0.14 -0.34 -0.06 0.00 0.84 0.00 0.00 57.88 58.47 3g4r h LEU 66 Cb 0.62 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 3g4r h LEU 66 CO 0.04 1.11 0.01 -0.09 -0.34 0.00 0.00 178.44 179.17 3g4r h ARG 67 N 0.86 0.68 -0.68 1.25 2.43 -0.94 0.69 114.38 118.66 3g4r h ARG 67 Ca 0.13 -0.21 -0.02 0.00 -0.81 0.00 0.00 59.98 59.06 3g4r h ARG 67 Cb 0.70 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.16 3g4r h ARG 67 CO 0.05 0.77 0.34 0.78 -1.51 0.00 0.00 179.97 180.40 3g4r h GLY 68 N 0.50 1.05 0.91 2.80 0.00 -1.06 -1.12 103.07 106.15 3g4r h GLY 68 Ca 0.11 -0.51 -0.03 0.00 0.00 0.00 0.00 47.33 46.90 3g4r h GLY 68 CO 0.02 0.48 0.08 0.84 0.00 0.00 0.00 176.54 177.97 3g4r h HIS 69 N 0.95 0.56 -0.58 5.60 -0.00 -1.03 -2.50 115.15 118.14 3g4r h HIS 69 Ca 0.24 -0.06 -0.06 0.00 -0.00 0.00 0.00 60.37 60.48 3g4r h HIS 69 Cb 0.10 -0.16 -0.02 0.00 -0.00 0.00 0.00 27.41 27.33 3g4r h HIS 69 CO 0.00 0.57 0.14 0.77 -0.00 0.00 0.00 177.93 179.41 3g4r h SER 70 N 0.38 0.89 -0.31 3.26 0.02 -0.59 -0.65 113.55 116.55 3g4r h SER 70 Ca 0.11 -0.23 -0.02 0.00 -0.84 0.00 0.00 61.79 60.80 3g4r h SER 70 Cb 0.29 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 3g4r h SER 70 CO 0.00 0.89 0.12 0.40 -1.14 0.00 0.00 176.83 177.10 3g4r h ILE 71 N 0.84 1.19 -0.77 3.27 2.04 -1.22 -2.69 117.51 120.17 3g4r h ILE 71 Ca 0.18 -0.58 -0.01 0.00 1.00 0.00 0.00 64.86 65.46 3g4r h ILE 71 Cb 0.35 0.99 -0.04 0.00 -0.74 0.00 0.00 36.82 37.38 3g4r h ILE 71 CO 0.00 0.20 0.45 0.74 0.00 0.00 0.00 178.15 179.55 3g4r h THR 72 N 0.35 1.22 -0.89 -0.27 2.02 -1.22 -1.80 112.91 112.30 3g4r h THR 72 Ca 0.10 -0.49 0.00 0.00 0.77 0.00 0.00 66.41 66.80 3g4r h THR 72 Cb 0.20 0.14 -0.04 0.00 -1.74 0.00 0.00 68.15 66.71 3g4r h THR 72 CO -0.01 0.23 0.57 0.25 0.37 0.00 0.00 175.52 176.93 3g4r h LEU 73 N 1.06 1.04 -1.57 2.58 6.46 -0.89 -1.45 115.31 122.54 3g4r h LEU 73 Ca 0.28 -0.04 -0.05 0.00 -0.12 0.00 0.00 57.88 57.95 3g4r h LEU 73 Cb -0.03 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 39.63 3g4r h LEU 73 CO -0.05 0.77 -0.23 0.24 -0.62 0.00 0.00 178.44 178.55 3g4r h MET 74 N 1.22 0.00 0.00 1.25 2.86 -1.01 -0.97 114.93 118.28 3g4r h MET 74 Ca 0.32 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.96 3g4r h MET 74 Cb -0.11 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.55 3g4r h MET 74 CO -0.07 0.23 0.00 1.88 1.06 0.00 0.00 176.91 180.01 3g4r h TYR 75 N 0.00 0.00 -0.16 -0.22 0.05 -1.01 -1.05 116.97 114.58 3g4r h TYR 75 Ca -0.00 0.00 -0.22 0.00 0.05 0.00 0.00 58.73 58.56 3g4r h TYR 75 Cb 0.45 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.19 3g4r h TYR 75 CO 0.00 0.00 -0.75 0.00 -1.05 0.00 0.00 178.16 176.36 3g4r h ALA 76 N 2.07 0.35 -0.19 3.88 0.00 -0.78 -1.48 119.26 123.11 3g4r h ALA 76 Ca 0.00 -0.59 -0.14 0.00 0.00 0.00 0.00 54.91 54.18 3g4r h ALA 76 Cb 0.78 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3g4r h ALA 76 CO 0.00 0.69 -0.46 -0.07 0.00 0.00 0.00 179.25 179.41 3g4r h LEU 77 N 0.53 0.52 -0.81 0.00 3.38 -1.19 -1.77 115.31 115.99 3g4r h LEU 77 Ca -0.04 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.66 3g4r h LEU 77 Cb 1.38 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.94 3g4r h LEU 77 CO 0.15 0.91 0.43 -0.61 0.09 0.00 0.00 178.44 179.41 3g4r h GLN 78 N 0.39 1.14 0.20 1.13 5.75 -1.10 -1.35 115.11 121.26 3g4r h GLN 78 Ca 0.03 -0.14 0.00 0.00 -0.15 0.00 0.00 58.65 58.39 3g4r h GLN 78 Cb 0.95 -0.22 -0.01 0.00 1.07 0.00 0.00 27.48 29.27 3g4r h GLN 78 CO 0.08 0.85 -0.18 -0.97 -2.65 0.00 0.00 178.83 175.96 3g4r h ASN 79 N 1.13 -0.47 -0.45 -0.69 -0.73 -0.91 -1.23 115.58 112.22 3g4r h ASN 79 Ca 0.28 0.04 0.07 0.00 1.87 0.00 0.00 56.30 58.56 3g4r h ASN 79 Cb 0.05 0.16 -0.06 0.00 0.27 0.00 0.00 38.32 38.75 3g4r h ASN 79 CO -0.04 -0.27 0.13 -0.26 -0.37 0.00 0.00 177.43 176.62 3g4r h PHE 80 N -0.40 0.23 -0.69 0.67 0.04 -0.88 -2.20 116.94 113.71 3g4r h PHE 80 Ca -0.00 0.02 0.01 0.00 2.80 0.00 0.00 57.97 60.81 3g4r h PHE 80 Cb 0.37 -0.03 -0.04 0.00 2.20 0.00 0.00 35.95 38.45 3g4r h PHE 80 CO -0.14 0.06 0.45 0.82 -0.60 0.00 0.00 178.31 178.90 3g4r h ILE 81 N 0.29 1.15 0.00 -0.55 1.08 -1.03 -1.98 117.51 116.47 3g4r h ILE 81 Ca 0.22 -0.31 -0.01 0.00 -0.39 0.00 0.00 64.86 64.37 3g4r h ILE 81 Cb 0.25 0.16 -0.00 0.00 -3.07 0.00 0.00 36.82 34.16 3g4r h ILE 81 CO -0.25 0.17 -0.05 0.44 -0.69 0.00 0.00 178.15 177.76 3g4r h ASP 82 N 0.91 0.00 -0.20 1.72 3.32 -0.68 -2.71 116.42 118.78 3g4r h ASP 82 Ca 0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.31 3g4r h ASP 82 Cb -0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.48 3g4r h ASP 82 CO -0.07 0.05 0.00 0.00 -1.72 0.00 0.00 179.24 177.50 3g4r n GLN 83 N -3.26 2.11 0.19 3.56 1.13 -0.76 -4.44 117.38 115.91 3g4r n GLN 83 Ca -0.01 -1.66 0.15 0.00 -1.94 0.00 0.00 57.00 53.55 3g4r n GLN 83 Cb 0.24 -1.46 0.77 0.00 0.11 0.00 0.00 30.24 29.90 3g4r n GLN 83 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 3g4r h LEU 84 N 3.49 0.00 -1.04 1.08 3.38 -1.30 -2.12 115.31 118.80 3g4r h LEU 84 Ca 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 3g4r h LEU 84 Cb 0.76 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 3g4r h LEU 84 CO 0.00 0.00 -0.42 0.44 0.09 0.00 0.00 178.44 178.55 3g4r h ASP 85 N 0.00 0.00 -3.63 -0.43 3.32 -1.83 -3.41 116.42 110.44 3g4r h ASP 85 Ca 0.09 0.00 -0.64 0.00 0.02 0.00 0.00 57.03 56.50 3g4r h ASP 85 Cb 0.40 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 39.56 3g4r h ASP 85 CO -0.00 0.42 -0.75 0.21 -1.72 0.00 0.00 179.24 177.40 3g4r s ASN 86 N -6.66 4.42 0.30 6.45 3.84 -0.80 -5.01 114.94 117.48 3g4r s ASN 86 Ca -0.01 -1.75 0.05 0.00 0.21 0.00 0.00 52.86 51.36 3g4r s ASN 86 Cb 0.12 -1.41 0.70 0.00 -0.55 0.00 0.00 41.25 40.11 3g4r s ASN 86 CO 0.71 -0.32 1.80 -0.65 -2.79 0.00 0.00 177.10 175.85 3g4r h PRO 87 N 7.78 0.80 -0.50 0.43 0.11 -1.80 -1.14 132.00 137.69 3g4r h PRO 87 Ca -0.11 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.89 3g4r h PRO 87 Cb 1.03 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.94 3g4r h PRO 87 CO 0.48 0.53 0.03 -0.44 -0.21 0.00 0.00 178.00 178.39 3g4r h ASP 88 N 0.82 0.77 0.48 -2.05 3.32 -1.95 -0.87 116.42 116.94 3g4r h ASP 88 Ca 0.55 -0.17 -0.23 0.00 0.02 0.00 0.00 57.03 57.20 3g4r h ASP 88 Cb 0.78 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 40.13 3g4r h ASP 88 CO -0.34 0.81 -0.98 0.44 -1.72 0.00 0.00 179.24 177.45 3g4r h ASP 89 N 0.76 0.42 -0.41 6.45 3.32 -1.65 -2.59 116.42 122.71 3g4r h ASP 89 Ca 0.15 -0.36 -0.03 0.00 0.02 0.00 0.00 57.03 56.81 3g4r h ASP 89 Cb 0.41 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 3g4r h ASP 89 CO 0.01 1.18 0.12 0.25 -1.72 0.00 0.00 179.24 179.09 3g4r h LEU 90 N 0.16 0.60 -0.60 1.55 5.85 -1.00 -2.61 115.31 119.26 3g4r h LEU 90 Ca -0.08 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.42 3g4r h LEU 90 Cb 1.64 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 42.48 3g4r h LEU 90 CO 0.16 0.65 0.34 0.58 -0.34 0.00 0.00 178.44 179.83 3g4r h VAL 91 N 0.52 1.19 0.00 1.05 2.07 -1.16 -0.85 116.25 119.07 3g4r h VAL 91 Ca 0.13 -0.46 -0.07 0.00 0.82 0.00 0.00 66.70 67.12 3g4r h VAL 91 Cb 0.27 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 3g4r h VAL 91 CO -0.00 0.20 -0.35 0.00 0.02 0.00 0.00 177.57 177.44 3g4r h VAL 93 N 0.00 1.49 -0.63 0.00 -1.51 -1.23 -2.66 116.25 111.71 3g4r h VAL 93 Ca -0.00 -3.08 -0.05 0.00 -1.23 0.00 0.00 66.70 62.33 3g4r h VAL 93 Cb 0.65 2.91 -0.03 0.00 -2.13 0.00 0.00 31.29 32.69 3g4r h VAL 93 CO 0.05 0.89 0.19 0.58 -1.23 0.00 0.00 177.57 178.05 3g4r h VAL 94 N 0.06 1.25 -0.15 7.19 2.07 -0.87 -2.04 116.25 123.77 3g4r h VAL 94 Ca -0.13 -0.85 -0.06 0.00 0.82 0.00 0.00 66.70 66.48 3g4r h VAL 94 Cb 1.95 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 32.32 3g4r h VAL 94 CO 0.19 0.33 -0.18 -0.33 0.02 0.00 0.00 177.57 177.60 3g4r h GLU 95 N 0.91 0.24 -0.12 1.57 5.08 -1.06 0.42 114.58 121.62 3g4r h GLU 95 Ca 0.20 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 3g4r h GLU 95 Cb 0.30 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 3g4r h GLU 95 CO -0.01 0.42 0.03 -0.22 -1.00 0.00 0.00 179.01 178.24 3g4r h LYS 96 N 0.23 0.19 0.00 2.33 3.11 -1.06 -2.47 116.57 118.90 3g4r h LYS 96 Ca 0.04 -0.05 -0.09 0.00 -2.81 0.00 0.00 60.65 57.75 3g4r h LYS 96 Cb 0.45 -0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 31.65 3g4r h LYS 96 CO 0.03 0.36 -0.42 0.74 -2.81 0.00 0.00 179.45 177.34 3g4r h PHE 97 N -0.01 0.00 -0.78 1.91 0.04 -1.06 -2.82 116.94 114.21 3g4r h PHE 97 Ca 0.04 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.78 3g4r h PHE 97 Cb 0.25 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.37 3g4r h PHE 97 CO 0.01 0.42 0.38 0.00 -0.60 0.00 0.00 178.31 178.52 3g4r h ALA 98 N 1.58 1.01 -0.91 2.45 0.00 -0.70 -2.36 119.26 120.32 3g4r h ALA 98 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3g4r h ALA 98 Cb 0.86 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 3g4r h ALA 98 CO 0.05 0.57 0.57 0.28 0.00 0.00 0.00 179.25 180.72 3g4r h VAL 99 N 1.11 1.25 -0.39 0.00 2.07 -1.19 0.24 116.25 119.32 3g4r h VAL 99 Ca 0.27 -0.50 0.07 0.00 0.82 0.00 0.00 66.70 67.36 3g4r h VAL 99 Cb 0.11 -0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 29.80 3g4r h VAL 99 CO -0.04 0.25 0.27 0.78 0.02 0.00 0.00 177.57 178.85 3g4r h ASN 100 N 1.25 0.21 0.37 0.57 -0.26 -1.36 -1.78 115.58 114.58 3g4r h ASN 100 Ca 0.33 0.00 -0.31 0.00 -0.56 0.00 0.00 56.30 55.76 3g4r h ASN 100 Cb -0.09 -0.04 -0.05 0.00 -1.06 0.00 0.00 38.32 37.08 3g4r h ASN 100 CO -0.07 0.13 -1.85 1.41 -1.06 0.00 0.00 177.43 176.00 3g4r n HIS 101 N -4.47 0.88 -0.22 1.19 8.25 -0.54 -3.83 115.22 116.48 3g4r n HIS 101 Ca 0.05 0.30 -0.04 0.00 -0.26 0.00 0.00 57.72 57.77 3g4r n HIS 101 Cb 0.30 -1.16 0.13 0.00 1.12 0.00 0.00 29.99 30.38 3g4r n HIS 101 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 3g4r h ILE 102 N 0.01 1.24 0.00 1.59 2.04 -0.18 -1.23 117.51 120.99 3g4r h ILE 102 Ca -0.34 -0.79 0.00 0.00 1.00 0.00 0.00 64.86 64.73 3g4r h ILE 102 Cb 2.05 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 38.57 3g4r h ILE 102 CO 0.07 0.31 0.00 0.71 0.00 0.00 0.00 178.15 179.24 3g4r h THR 103 N 1.00 0.00 -0.54 -0.27 1.35 -1.48 -1.30 112.91 111.67 3g4r h THR 103 Ca 0.23 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.74 3g4r h THR 103 Cb 0.23 1.30 0.00 0.00 -1.73 0.00 0.00 68.15 67.95 3g4r h THR 103 CO -0.02 0.00 0.00 0.54 -0.25 0.00 0.00 175.52 175.79 3g4r n ARG 104 N -2.97 2.45 -2.82 4.72 3.00 -0.56 -4.95 116.66 115.52 3g4r n ARG 104 Ca -0.00 -2.23 -0.17 0.00 -0.01 0.00 0.00 57.85 55.44 3g4r n ARG 104 Cb 0.23 -1.50 0.03 0.00 0.00 0.00 0.00 32.46 31.22 3g4r n ARG 104 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 3g4r n LYS 105 N 1.35 -3.68 -3.41 5.56 4.76 -0.49 -4.99 118.16 117.25 3g4r n LYS 105 Ca 0.21 0.70 -0.39 0.00 -2.87 0.00 0.00 58.31 55.95 3g4r n LYS 105 Cb 0.55 -5.10 -0.09 0.00 -1.84 0.00 0.00 35.03 28.55 3g4r n LYS 105 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3g4r s ILE 106 N -3.02 5.19 0.70 -0.18 -1.09 -0.64 -5.04 121.20 117.12 3g4r s ILE 106 Ca 0.23 0.54 -0.07 0.00 -2.23 0.00 0.00 60.65 59.12 3g4r s ILE 106 Cb -0.10 -3.68 0.06 0.00 -1.58 0.00 0.00 42.46 37.15 3g4r s ILE 106 CO 0.28 0.17 1.01 -0.94 -1.23 0.00 0.00 174.94 174.23 3g4r s SER 107 N 1.62 4.90 0.27 3.58 1.04 -1.26 -4.50 113.70 119.35 3g4r s SER 107 Ca 0.14 0.52 -0.03 0.00 0.48 0.00 0.00 55.95 57.07 3g4r s SER 107 Cb -0.16 -1.20 0.37 0.00 0.10 0.00 0.00 66.02 65.13 3g4r s SER 107 CO 0.10 -1.55 1.87 0.00 0.98 0.00 0.00 173.24 174.64 3g4r h ALA 108 N -0.58 1.25 -0.51 5.32 0.00 -1.88 -0.66 119.26 122.20 3g4r h ALA 108 Ca -0.45 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.26 3g4r h ALA 108 Cb 1.31 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 3g4r h ALA 108 CO 0.61 0.57 0.08 0.00 0.00 0.00 0.00 179.25 180.51 3g4r h ALA 109 N 1.36 0.68 -0.04 0.00 0.00 -1.94 -1.98 119.26 117.33 3g4r h ALA 109 Ca 0.24 -0.24 -0.17 0.00 0.00 0.00 0.00 54.91 54.75 3g4r h ALA 109 Cb 0.11 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3g4r h ALA 109 CO -0.03 0.41 -0.71 0.93 0.00 0.00 0.00 179.25 179.85 3g4r h GLU 110 N 0.72 0.23 -0.62 0.00 5.08 -1.86 -2.88 114.58 115.24 3g4r h GLU 110 Ca 0.15 -0.19 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 3g4r h GLU 110 Cb 0.40 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 3g4r h GLU 110 CO 0.01 0.84 0.25 0.35 -1.00 0.00 0.00 179.01 179.46 3g4r h PHE 111 N 0.15 0.91 0.00 4.33 3.57 -1.00 -1.77 116.94 123.13 3g4r h PHE 111 Ca -0.02 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.43 3g4r h PHE 111 Cb 1.26 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.73 3g4r h PHE 111 CO 0.02 0.70 0.00 0.41 -2.23 0.00 0.00 178.31 177.21 3g4r n GLY 112 N -1.02 -0.85 0.06 2.40 0.00 -0.76 -2.04 105.19 102.98 3g4r n GLY 112 Ca 0.05 0.10 0.08 0.00 0.00 0.00 0.00 46.02 46.25 3g4r n GLY 112 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3g4r n LYS 113 N -1.96 0.08 0.17 1.61 5.02 -0.66 -1.95 118.16 120.46 3g4r n LYS 113 Ca 0.00 0.40 0.13 0.00 -2.02 0.00 0.00 58.31 56.83 3g4r n LYS 113 Cb 0.07 -1.67 0.45 0.00 -0.02 0.00 0.00 35.03 33.86 3g4r n LYS 113 CO 0.00 0.00 0.00 0.97 -0.52 0.00 0.00 177.40 177.85 3g4r h ILE 114 N 0.00 0.00 -0.68 -0.18 6.09 -1.61 -3.22 117.51 117.90 3g4r h ILE 114 Ca 0.00 -0.49 -0.02 0.00 -1.37 0.00 0.00 64.86 62.98 3g4r h ILE 114 Cb 0.20 1.40 -0.03 0.00 0.47 0.00 0.00 36.82 38.86 3g4r h ILE 114 CO 0.00 0.00 0.36 0.78 -3.07 0.00 0.00 178.15 176.22 3g4r h ASN 115 N 0.00 0.84 0.38 2.19 -0.26 -1.64 -1.58 115.58 115.51 3g4r h ASN 115 Ca 0.00 -0.07 -0.02 0.00 -0.56 0.00 0.00 56.30 55.65 3g4r h ASN 115 Cb 0.61 -0.21 0.00 0.00 -1.06 0.00 0.00 38.32 37.66 3g4r h ASN 115 CO 0.00 0.69 -0.18 1.23 -1.06 0.00 0.00 177.43 178.11 3g4r h GLY 116 N 1.00 -0.53 0.84 2.83 0.00 -1.78 -1.73 103.07 103.71 3g4r h GLY 116 Ca 0.24 0.20 0.04 0.00 0.00 0.00 0.00 47.33 47.81 3g4r h GLY 116 CO -0.04 -0.19 0.65 -2.55 0.00 0.00 0.00 176.54 174.41 3g4r h PRO 117 N -0.58 1.21 -0.55 4.80 0.11 -1.70 -2.04 132.00 133.24 3g4r h PRO 117 Ca -0.05 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 65.98 3g4r h PRO 117 Cb 0.43 -0.27 -0.03 0.00 0.11 0.00 0.00 31.00 31.25 3g4r h PRO 117 CO 0.08 0.80 0.33 0.82 -0.21 0.00 0.00 178.00 179.82 3g4r h ILE 118 N 1.24 1.17 -0.80 4.15 2.04 -1.15 -0.36 117.51 123.80 3g4r h ILE 118 Ca 0.41 -0.38 -0.01 0.00 1.00 0.00 0.00 64.86 65.87 3g4r h ILE 118 Cb 0.04 0.42 -0.04 0.00 -0.74 0.00 0.00 36.82 36.50 3g4r h ILE 118 CO -0.14 0.17 0.46 0.50 0.00 0.00 0.00 178.15 179.14 3g4r h LYS 119 N 0.74 1.10 -0.50 2.37 3.64 -0.79 -0.41 116.57 122.72 3g4r h LYS 119 Ca 0.20 -0.12 -0.10 0.00 -1.27 0.00 0.00 60.65 59.37 3g4r h LYS 119 Cb -0.01 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 31.57 3g4r h LYS 119 CO -0.04 0.80 -0.06 0.87 -2.27 0.00 0.00 179.45 178.75 3g4r h LYS 120 N 1.10 0.93 -0.50 1.90 1.57 -0.94 -0.32 116.57 120.31 3g4r h LYS 120 Ca 0.28 -0.33 -0.11 0.00 -1.87 0.00 0.00 60.65 58.63 3g4r h LYS 120 Cb 0.00 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 3g4r h LYS 120 CO -0.05 0.98 -0.11 0.28 -0.57 0.00 0.00 179.45 179.99 3g4r h VAL 121 N 0.79 1.27 -0.25 0.50 2.07 -0.80 -2.11 116.25 117.71 3g4r h VAL 121 Ca 0.14 -1.25 -0.01 0.00 0.82 0.00 0.00 66.70 66.40 3g4r h VAL 121 Cb 0.61 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 3g4r h VAL 121 CO 0.04 0.44 0.13 -0.07 0.02 0.00 0.00 177.57 178.12 3g4r h LEU 122 N 0.82 0.33 -1.31 2.57 3.38 -0.95 -2.90 115.31 117.26 3g4r h LEU 122 Ca 0.13 -0.12 0.07 0.00 0.09 0.00 0.00 57.88 58.05 3g4r h LEU 122 Cb 0.67 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.28 3g4r h LEU 122 CO 0.05 0.35 0.51 0.00 0.09 0.00 0.00 178.44 179.45 3g4r h ALA 123 N 0.99 1.65 0.00 1.53 0.00 -0.81 0.27 119.26 122.89 3g4r h ALA 123 Ca 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3g4r h ALA 123 Cb 0.11 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3g4r h ALA 123 CO -0.01 0.22 0.00 0.66 0.00 0.00 0.00 179.25 180.12 3g4r h SER 124 N 0.83 0.00 -0.40 0.00 4.64 -1.17 -1.61 113.55 115.84 3g4r h SER 124 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 3g4r h SER 124 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 3g4r h SER 124 CO -0.12 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.13 3g4r n LYS 125 N -2.37 3.09 -2.44 4.77 4.76 -0.03 -4.96 118.16 120.99 3g4r n LYS 125 Ca 0.01 -2.51 -0.11 0.00 -2.87 0.00 0.00 58.31 52.83 3g4r n LYS 125 Cb 0.20 -1.60 0.01 0.00 -1.84 0.00 0.00 35.03 31.80 3g4r n LYS 125 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3g4r n ASN 126 N 0.38 -3.71 -4.26 4.39 2.85 -0.60 -5.02 115.26 109.29 3g4r n ASN 126 Ca 0.18 -0.08 -0.35 0.00 -0.11 0.00 0.00 54.58 54.22 3g4r n ASN 126 Cb 0.68 -2.77 -0.14 0.00 1.24 0.00 0.00 39.78 38.80 3g4r n ASN 126 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 3g4r s PHE 127 N -2.71 3.06 0.00 1.20 0.40 -0.54 -4.99 117.98 114.41 3g4r s PHE 127 Ca 0.08 -1.29 0.00 0.00 -0.60 0.00 0.00 56.93 55.12 3g4r s PHE 127 Cb -0.04 -2.11 0.00 0.00 0.51 0.00 0.00 43.02 41.38 3g4r s PHE 127 CO 0.10 -0.66 0.00 0.41 0.70 0.00 0.00 175.22 175.77 3g4r n GLY 128 N 4.74 -0.37 0.40 4.36 0.00 -1.26 -2.65 105.19 110.41 3g4r n GLY 128 Ca -0.16 -1.72 0.20 0.00 0.00 0.00 0.00 46.02 44.34 3g4r n GLY 128 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3g4r h ASP 129 N 0.00 0.48 -0.52 1.61 5.19 -1.98 -1.41 116.42 119.79 3g4r h ASP 129 Ca 0.00 0.07 0.09 0.00 -0.62 0.00 0.00 57.03 56.56 3g4r h ASP 129 Cb 0.00 -0.02 -0.07 0.00 0.18 0.00 0.00 39.33 39.42 3g4r h ASP 129 CO 0.00 0.15 0.13 0.50 -3.12 0.00 0.00 179.24 176.90 3g4r h LYS 130 N 0.45 0.27 -0.07 3.56 3.64 -1.99 0.80 116.57 123.22 3g4r h LYS 130 Ca 0.54 -0.02 -0.20 0.00 -1.27 0.00 0.00 60.65 59.70 3g4r h LYS 130 Cb 1.29 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 3g4r h LYS 130 CO -0.26 0.18 -0.79 1.88 -2.27 0.00 0.00 179.45 178.19 3g4r h TYR 131 N 0.28 0.67 -0.71 1.91 0.05 -1.60 -2.76 116.97 114.81 3g4r h TYR 131 Ca 0.26 -0.31 -0.04 0.00 0.05 0.00 0.00 58.73 58.69 3g4r h TYR 131 Cb 0.34 -0.10 -0.03 0.00 1.01 0.00 0.00 36.73 37.95 3g4r h TYR 131 CO -0.21 1.10 0.29 0.00 -1.05 0.00 0.00 178.16 178.29 3g4r h ALA 132 N 0.81 1.18 -0.20 3.88 0.00 -0.92 -1.64 119.26 122.38 3g4r h ALA 132 Ca -0.05 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.57 3g4r h ALA 132 Cb 1.39 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 3g4r h ALA 132 CO 0.14 0.60 -0.39 -0.91 0.00 0.00 0.00 179.25 178.69 3g4r h ASN 133 N 1.02 0.47 -0.41 0.00 2.35 -0.82 -1.04 115.58 117.15 3g4r h ASN 133 Ca 0.24 -0.20 -0.05 0.00 -0.55 0.00 0.00 56.30 55.74 3g4r h ASN 133 Cb 0.18 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.41 3g4r h ASN 133 CO -0.02 0.81 0.05 0.00 -1.65 0.00 0.00 177.43 176.62 3g4r h ALA 134 N 1.21 0.54 -0.05 -0.83 0.00 -1.13 -2.37 119.26 116.64 3g4r h ALA 134 Ca 0.04 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 3g4r h ALA 134 Cb 0.85 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3g4r h ALA 134 CO 0.07 0.27 -0.34 -1.49 0.00 0.00 0.00 179.25 177.76 3g4r h TRP 135 N 0.53 0.10 -0.20 0.00 4.06 -1.13 -2.13 115.95 117.18 3g4r h TRP 135 Ca 0.12 -0.02 -0.06 0.00 2.06 0.00 0.00 58.89 61.00 3g4r h TRP 135 Cb 0.40 -0.02 -0.01 0.00 -1.00 0.00 0.00 29.16 28.52 3g4r h TRP 135 CO 0.03 0.42 -0.12 0.00 -3.56 0.00 0.00 178.44 175.20 3g4r h ALA 136 N 1.58 1.42 -0.10 1.49 0.00 -0.81 -0.81 119.26 122.03 3g4r h ALA 136 Ca 0.01 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.57 3g4r h ALA 136 Cb 0.64 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3g4r h ALA 136 CO 0.05 0.40 -0.49 0.87 0.00 0.00 0.00 179.25 180.07 3g4r h LYS 137 N 0.31 0.27 -0.18 0.00 1.57 -0.88 -0.79 116.57 116.86 3g4r h LYS 137 Ca 0.06 -0.15 -0.15 0.00 -1.87 0.00 0.00 60.65 58.54 3g4r h LYS 137 Cb 0.41 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.73 3g4r h LYS 137 CO 0.02 0.71 -0.47 1.25 -0.57 0.00 0.00 179.45 180.39 3g4r h LEU 138 N 0.22 0.72 -1.63 2.94 5.85 -1.17 -2.90 115.31 119.34 3g4r h LEU 138 Ca 0.01 -0.58 -0.00 0.00 0.84 0.00 0.00 57.88 58.15 3g4r h LEU 138 Cb 0.95 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.75 3g4r h LEU 138 CO 0.08 1.18 0.21 0.58 -0.34 0.00 0.00 178.44 180.14 3g4r h VAL 139 N 0.31 1.10 0.00 1.05 2.07 -1.03 -1.11 116.25 118.63 3g4r h VAL 139 Ca -0.01 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 3g4r h VAL 139 Cb 1.09 0.61 -0.00 0.00 -1.52 0.00 0.00 31.29 31.47 3g4r h VAL 139 CO 0.10 0.10 -0.11 0.00 0.02 0.00 0.00 177.57 177.68 3g4r h ALA 140 N 1.76 1.28 -0.31 1.67 0.00 -0.94 -1.19 119.26 121.54 3g4r h ALA 140 Ca 0.12 -0.10 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 3g4r h ALA 140 Cb -0.02 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 3g4r h ALA 140 CO -0.02 0.14 -0.46 0.28 0.00 0.00 0.00 179.25 179.19 3g4r h VAL 141 N 0.00 1.28 -0.35 0.00 2.07 -1.13 -1.86 116.25 116.26 3g4r h VAL 141 Ca -0.00 -1.65 -0.13 0.00 0.82 0.00 0.00 66.70 65.75 3g4r h VAL 141 Cb 0.33 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 3g4r h VAL 141 CO 0.01 0.54 -0.28 0.58 0.02 0.00 0.00 177.57 178.45 3g4r h VAL 142 N 0.65 1.29 -0.69 2.57 2.07 -1.33 -2.99 116.25 117.82 3g4r h VAL 142 Ca 0.04 -1.44 0.05 0.00 0.82 0.00 0.00 66.70 66.17 3g4r h VAL 142 Cb 1.04 1.42 -0.04 0.00 -1.52 0.00 0.00 31.29 32.19 3g4r h VAL 142 CO 0.10 0.47 0.46 1.56 0.02 0.00 0.00 177.57 180.18 3g4r h GLN 143 N 0.60 0.74 0.00 1.57 4.20 -1.11 -0.52 115.11 120.59 3g4r h GLN 143 Ca 0.07 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 3g4r h GLN 143 Cb 0.85 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 28.46 3g4r h GLN 143 CO 0.07 0.49 -0.03 0.00 -0.67 0.00 0.00 178.83 178.69 3g4r h ALA 144 N 1.61 1.05 -0.01 3.87 0.00 -1.18 -2.39 119.26 122.21 3g4r h ALA 144 Ca 0.29 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3g4r h ALA 144 Cb 0.18 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3g4r h ALA 144 CO -0.09 0.03 -0.30 0.00 0.00 0.00 0.00 179.25 178.90 3g4r n ALA 145 N -2.12 3.17 1.34 0.00 0.00 -0.22 -4.42 120.51 118.26 3g4r n ALA 145 Ca -0.01 -0.54 0.13 0.00 0.00 0.00 0.00 53.44 53.03 3g4r n ALA 145 Cb 0.21 -0.96 0.39 0.00 0.00 0.00 0.00 19.45 19.09 3g4r n ALA 145 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78