#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g4y h VAL 3 N 0.00 1.08 -0.40 2.46 3.04 -1.88 -1.12 116.25 119.42 3g4y h VAL 3 Ca 0.00 -0.21 -0.11 0.00 -1.01 0.00 0.00 66.70 65.36 3g4y h VAL 3 Cb 0.00 0.41 -0.01 0.00 -2.01 0.00 0.00 31.29 29.67 3g4y h VAL 3 CO 0.00 0.11 -0.21 1.88 -1.01 0.00 0.00 177.57 178.34 3g4y h TYR 4 N 0.62 0.89 -0.08 3.17 0.05 -1.96 -0.05 116.97 119.61 3g4y h TYR 4 Ca 0.20 -0.20 -0.16 0.00 0.05 0.00 0.00 58.73 58.63 3g4y h TYR 4 Cb 0.05 -0.21 -0.01 0.00 1.01 0.00 0.00 36.73 37.56 3g4y h TYR 4 CO -0.00 0.93 -0.63 -0.44 -1.05 0.00 0.00 178.16 176.97 3g4y h ASP 5 N 0.69 0.34 -0.44 3.88 3.32 -1.81 -2.51 116.42 119.89 3g4y h ASP 5 Ca 0.10 -0.20 -0.08 0.00 0.02 0.00 0.00 57.03 56.86 3g4y h ASP 5 Cb 0.72 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.16 3g4y h ASP 5 CO 0.06 0.88 -0.06 0.00 -1.72 0.00 0.00 179.24 178.40 3g4y h ALA 6 N 1.12 0.59 -0.04 3.45 0.00 -0.93 -2.64 119.26 120.81 3g4y h ALA 6 Ca -0.01 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 3g4y h ALA 6 Cb 1.15 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 3g4y h ALA 6 CO 0.10 0.44 -0.14 0.00 0.00 0.00 0.00 179.25 179.65 3g4y h ALA 7 N 0.88 1.69 0.00 0.00 0.00 -0.92 -1.54 119.26 119.36 3g4y h ALA 7 Ca 0.12 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3g4y h ALA 7 Cb 0.58 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3g4y h ALA 7 CO 0.03 0.23 0.00 0.00 0.00 0.00 0.00 179.25 179.52 3g4y h ALA 8 N 1.80 1.00 0.00 0.00 0.00 -1.07 -2.35 119.26 118.63 3g4y h ALA 8 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3g4y h ALA 8 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3g4y h ALA 8 CO 0.02 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.31 3g4y n GLN 9 N -2.31 0.00 -2.73 0.00 1.13 -0.58 -4.44 117.38 108.46 3g4y n GLN 9 Ca 0.01 0.01 -0.43 0.00 -1.94 0.00 0.00 57.00 54.65 3g4y n GLN 9 Cb 0.20 -1.50 -0.00 0.00 0.11 0.00 0.00 30.24 29.05 3g4y n GLN 9 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3g4y s LEU 10 N -3.02 4.32 1.02 1.08 1.43 -0.89 -4.93 118.68 117.70 3g4y s LEU 10 Ca 0.14 -2.61 -0.16 0.00 -1.03 0.00 0.00 54.13 50.47 3g4y s LEU 10 Cb 0.19 -2.51 0.21 0.00 0.03 0.00 0.00 46.19 44.11 3g4y s LEU 10 CO 0.53 -1.02 1.20 0.42 0.23 0.00 0.00 176.35 177.71 3g4y s THR 11 N 3.20 1.87 0.22 5.49 -4.23 -1.26 -4.70 115.64 116.22 3g4y s THR 11 Ca 0.49 0.00 -0.08 0.00 -1.18 0.00 0.00 61.69 60.92 3g4y s THR 11 Cb 0.01 -2.77 0.16 0.00 1.34 0.00 0.00 72.50 71.24 3g4y s THR 11 CO 0.04 0.00 1.75 0.00 -0.54 0.00 0.00 174.62 175.87 3g4y h ALA 12 N -1.90 0.87 -0.59 3.99 0.00 -1.98 -0.25 119.26 119.40 3g4y h ALA 12 Ca -0.46 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.46 3g4y h ALA 12 Cb 1.28 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 3g4y h ALA 12 CO 0.44 -0.16 0.12 -0.44 0.00 0.00 0.00 179.25 179.21 3g4y h ASP 13 N 0.46 0.93 -0.39 0.00 3.32 -1.99 -1.86 116.42 116.89 3g4y h ASP 13 Ca 0.33 -0.25 -0.07 0.00 0.02 0.00 0.00 57.03 57.06 3g4y h ASP 13 Cb 0.41 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 3g4y h ASP 13 CO -0.31 0.94 -0.03 0.58 -1.72 0.00 0.00 179.24 178.70 3g4y h VAL 14 N 0.88 1.27 -0.84 -1.35 2.07 -1.76 -2.21 116.25 114.30 3g4y h VAL 14 Ca 0.18 -1.06 -0.02 0.00 0.82 0.00 0.00 66.70 66.62 3g4y h VAL 14 Cb 0.39 1.18 -0.04 0.00 -1.52 0.00 0.00 31.29 31.30 3g4y h VAL 14 CO 0.01 0.36 0.44 0.11 0.02 0.00 0.00 177.57 178.51 3g4y h LYS 15 N 0.52 1.18 -0.45 1.57 1.57 -0.96 -1.09 116.57 118.92 3g4y h LYS 15 Ca 0.11 -0.15 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 3g4y h LYS 15 Cb 0.52 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 3g4y h LYS 15 CO 0.03 0.88 0.16 -0.22 -0.57 0.00 0.00 179.45 179.72 3g4y h LYS 16 N 1.18 0.69 -0.52 3.15 1.63 -1.17 -0.95 116.57 120.58 3g4y h LYS 16 Ca 0.29 -0.14 -0.07 0.00 -0.85 0.00 0.00 60.65 59.89 3g4y h LYS 16 Cb 0.06 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 31.56 3g4y h LYS 16 CO -0.04 0.64 0.05 -0.44 -3.45 0.00 0.00 179.45 176.21 3g4y h ASP 17 N 0.59 0.80 -0.13 4.20 3.32 -1.03 0.12 116.42 124.28 3g4y h ASP 17 Ca 0.15 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 3g4y h ASP 17 Cb 0.23 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 3g4y h ASP 17 CO -0.01 0.83 0.05 -0.07 -1.72 0.00 0.00 179.24 178.32 3g4y h LEU 18 N 0.79 0.19 -0.34 1.55 3.38 -0.92 -2.20 115.31 117.75 3g4y h LEU 18 Ca 0.16 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 3g4y h LEU 18 Cb 0.40 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3g4y h LEU 18 CO 0.01 0.32 0.13 0.03 0.09 0.00 0.00 178.44 179.02 3g4y h ARG 19 N 0.05 0.52 -0.76 1.13 3.08 -0.89 -0.95 114.38 116.55 3g4y h ARG 19 Ca 0.04 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 3g4y h ARG 19 Cb 0.20 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.13 3g4y h ARG 19 CO -0.00 0.53 0.43 -0.44 -1.07 0.00 0.00 179.97 179.41 3g4y h ASP 20 N 0.41 0.95 0.24 7.04 3.32 -0.96 -1.65 116.42 125.77 3g4y h ASP 20 Ca 0.11 -0.09 -0.21 0.00 0.02 0.00 0.00 57.03 56.86 3g4y h ASP 20 Cb 0.21 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.52 3g4y h ASP 20 CO -0.01 0.77 -0.86 0.77 -1.72 0.00 0.00 179.24 178.19 3g4y h SER 21 N 1.05 0.58 0.10 6.45 4.64 -1.35 -3.20 113.55 121.83 3g4y h SER 21 Ca 0.27 -0.43 -0.06 0.00 -0.47 0.00 0.00 61.79 61.10 3g4y h SER 21 Cb 0.02 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 61.93 3g4y h SER 21 CO -0.04 1.21 -0.19 -0.25 -0.87 0.00 0.00 176.83 176.68 3g4y h TRP 22 N 0.29 0.20 -0.71 4.77 2.91 -0.93 -1.72 115.95 120.75 3g4y h TRP 22 Ca -0.06 -0.03 0.07 0.00 1.13 0.00 0.00 58.89 60.00 3g4y h TRP 22 Cb 1.48 -0.05 -0.04 0.00 -0.51 0.00 0.00 29.16 30.03 3g4y h TRP 22 CO 0.06 0.38 0.47 -0.22 -1.03 0.00 0.00 178.44 178.09 3g4y h LYS 23 N 0.17 0.68 0.00 2.65 3.64 -1.29 0.41 116.57 122.83 3g4y h LYS 23 Ca 0.03 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.33 3g4y h LYS 23 Cb 0.45 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 3g4y h LYS 23 CO 0.03 0.45 -0.33 0.28 -2.27 0.00 0.00 179.45 177.61 3g4y h VAL 24 N 0.70 0.58 -0.12 2.00 2.07 -1.55 -3.32 116.25 116.61 3g4y h VAL 24 Ca 0.31 -1.52 -0.11 0.00 0.82 0.00 0.00 66.70 66.20 3g4y h VAL 24 Cb 0.32 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 3g4y h VAL 24 CO -0.10 0.20 -0.42 0.40 0.02 0.00 0.00 177.57 177.66 3g4y h ILE 25 N -1.00 1.31 0.00 4.57 5.03 -1.31 -2.86 117.51 123.25 3g4y h ILE 25 Ca -0.06 -1.56 0.00 0.00 -0.12 0.00 0.00 64.86 63.13 3g4y h ILE 25 Cb 0.58 1.70 0.00 0.00 -3.03 0.00 0.00 36.82 36.06 3g4y h ILE 25 CO -0.04 0.47 0.00 0.61 -0.68 0.00 0.00 178.15 178.51 3g4y n GLY 26 N -0.14 -1.14 0.13 5.37 0.00 0.14 -2.84 105.19 106.72 3g4y n GLY 26 Ca -0.02 -0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.06 3g4y n GLY 26 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3g4y h SER 27 N 0.00 0.00 -2.25 1.61 4.64 -1.60 -3.32 113.55 112.62 3g4y h SER 27 Ca 0.00 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.74 3g4y h SER 27 Cb 0.31 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 62.01 3g4y h SER 27 CO 0.00 0.00 -0.96 -0.67 -0.87 0.00 0.00 176.83 174.33 3g4y n ASP 28 N -2.33 0.56 -0.33 4.97 2.03 -1.13 -4.98 116.55 115.34 3g4y n ASP 28 Ca 0.03 -2.70 -0.04 0.00 0.52 0.00 0.00 54.79 52.60 3g4y n ASP 28 Cb 0.32 -0.62 0.08 0.00 -0.72 0.00 0.00 41.12 40.18 3g4y n ASP 28 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 3g4y h LYS 29 N 4.75 1.24 0.10 -0.67 1.57 -1.74 -1.22 116.57 120.60 3g4y h LYS 29 Ca 0.17 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 3g4y h LYS 29 Cb 0.86 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.93 3g4y h LYS 29 CO 0.49 0.92 -0.05 -0.22 -0.57 0.00 0.00 179.45 180.02 3g4y h LYS 30 N 1.24 -0.13 0.04 3.15 3.64 -1.92 -0.20 116.57 122.39 3g4y h LYS 30 Ca 0.31 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.70 3g4y h LYS 30 Cb 0.05 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 3g4y h LYS 30 CO -0.05 0.19 -0.02 0.78 -2.27 0.00 0.00 179.45 178.08 3g4y h GLY 31 N -0.47 -0.06 2.00 5.01 0.00 -1.96 -2.38 103.07 105.22 3g4y h GLY 31 Ca -0.01 0.02 -0.11 0.00 0.00 0.00 0.00 47.33 47.23 3g4y h GLY 31 CO 0.02 -0.02 -0.51 3.43 0.00 0.00 0.00 176.54 179.46 3g4y h ASN 32 N -0.21 0.00 -0.19 0.19 2.35 -1.32 -2.16 115.58 114.24 3g4y h ASN 32 Ca -0.01 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.69 3g4y h ASN 32 Cb 0.19 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 3g4y h ASN 32 CO 0.01 0.51 -0.08 1.23 -1.65 0.00 0.00 177.43 177.45 3g4y h GLY 33 N 2.64 0.43 1.44 2.83 0.00 -1.00 -0.94 103.07 108.46 3g4y h GLY 33 Ca -0.01 -0.38 -0.11 0.00 0.00 0.00 0.00 47.33 46.84 3g4y h GLY 33 CO 0.07 0.34 -0.23 -2.08 0.00 0.00 0.00 176.54 174.64 3g4y h VAL 34 N 0.09 1.27 -0.66 4.60 2.07 -1.45 -2.34 116.25 119.83 3g4y h VAL 34 Ca 0.04 -1.31 -0.01 0.00 0.82 0.00 0.00 66.70 66.25 3g4y h VAL 34 Cb 0.56 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.57 3g4y h VAL 34 CO 0.03 0.43 0.37 0.00 0.02 0.00 0.00 177.57 178.41 3g4y h ALA 35 N 1.18 0.84 -0.44 1.67 0.00 -1.26 0.13 119.26 121.38 3g4y h ALA 35 Ca 0.08 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3g4y h ALA 35 Cb 0.70 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3g4y h ALA 35 CO 0.05 0.35 0.22 1.25 0.00 0.00 0.00 179.25 181.12 3g4y h LEU 36 N 0.90 0.57 -0.17 0.00 5.85 -0.94 -1.75 115.31 119.77 3g4y h LEU 36 Ca 0.23 -0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.79 3g4y h LEU 36 Cb 0.03 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 3g4y h LEU 36 CO -0.04 0.53 -0.04 0.24 -0.34 0.00 0.00 178.44 178.80 3g4y h MET 37 N 0.57 0.32 -0.40 1.25 2.86 -1.10 -1.69 114.93 116.73 3g4y h MET 37 Ca 0.15 -0.12 -0.02 0.00 -2.06 0.00 0.00 59.70 57.65 3g4y h MET 37 Cb 0.11 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 3g4y h MET 37 CO -0.02 0.59 0.19 1.79 1.06 0.00 0.00 176.91 180.52 3g4y h THR 38 N 0.03 1.14 -0.33 2.22 1.35 -0.95 -1.06 112.91 115.31 3g4y h THR 38 Ca 0.04 -0.41 -0.13 0.00 -0.55 0.00 0.00 66.41 65.36 3g4y h THR 38 Cb 0.47 0.64 -0.01 0.00 -1.73 0.00 0.00 68.15 67.52 3g4y h THR 38 CO 0.02 0.17 -0.31 0.74 -0.25 0.00 0.00 175.52 175.88 3g4y h THR 39 N 0.56 1.29 -0.37 6.82 2.02 -1.21 -0.67 112.91 121.35 3g4y h THR 39 Ca 0.14 -1.48 0.02 0.00 0.77 0.00 0.00 66.41 65.86 3g4y h THR 39 Cb 0.08 1.49 -0.03 0.00 -1.74 0.00 0.00 68.15 67.95 3g4y h THR 39 CO -0.02 0.48 0.21 0.25 0.37 0.00 0.00 175.52 176.81 3g4y h LEU 40 N 0.57 0.32 -0.80 2.58 5.85 -0.52 -0.66 115.31 122.65 3g4y h LEU 40 Ca 0.05 0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.68 3g4y h LEU 40 Cb 0.89 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.85 3g4y h LEU 40 CO 0.08 0.23 -0.22 -0.26 -0.34 0.00 0.00 178.44 177.94 3g4y h PHE 41 N 0.42 0.75 -0.27 1.25 0.04 -1.15 0.20 116.94 118.19 3g4y h PHE 41 Ca 0.15 -0.16 -0.12 0.00 2.80 0.00 0.00 57.97 60.64 3g4y h PHE 41 Cb 0.03 -0.18 -0.00 0.00 2.20 0.00 0.00 35.95 37.99 3g4y h PHE 41 CO -0.08 0.83 -0.30 0.00 -0.60 0.00 0.00 178.31 178.16 3g4y h ALA 42 N 1.17 0.40 0.00 2.45 0.00 -0.77 -3.09 119.26 119.42 3g4y h ALA 42 Ca 0.09 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3g4y h ALA 42 Cb 0.69 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3g4y h ALA 42 CO 0.05 0.42 -0.87 -0.25 0.00 0.00 0.00 179.25 178.60 3g4y n ASP 43 N -4.27 0.66 -3.20 0.00 8.00 -0.29 -4.46 116.55 112.99 3g4y n ASP 43 Ca -0.04 -0.02 -0.23 0.00 0.71 0.00 0.00 54.79 55.21 3g4y n ASP 43 Cb 0.48 0.52 -0.06 0.00 -0.02 0.00 0.00 41.12 42.04 3g4y n ASP 43 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3g4y n ASN 44 N -2.09 1.27 0.13 -2.24 4.13 0.06 -4.96 115.26 111.56 3g4y n ASN 44 Ca 0.02 -2.98 0.19 0.00 1.68 0.00 0.00 54.58 53.49 3g4y n ASN 44 Cb 0.45 -0.63 0.76 0.00 -1.54 0.00 0.00 39.78 38.82 3g4y n ASN 44 CO 0.00 0.00 0.00 1.56 0.28 0.00 0.00 177.26 179.10 3g4y h GLN 45 N 3.64 0.00 0.00 3.52 4.20 -1.73 -1.33 115.11 123.41 3g4y h GLN 45 Ca 0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 3g4y h GLN 45 Cb 0.84 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.62 3g4y h GLN 45 CO 0.56 0.00 0.00 -0.85 -0.67 0.00 0.00 178.83 177.87 3g4y n GLU 46 N -3.66 0.18 0.01 1.46 0.00 -1.26 -2.39 120.64 114.99 3g4y n GLU 46 Ca 0.06 0.16 0.11 0.00 0.00 0.00 0.00 57.16 57.48 3g4y n GLU 46 Cb 0.56 -1.50 -0.03 0.00 0.00 0.00 0.00 31.44 30.47 3g4y n GLU 46 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 3g4y n THR 47 N -1.32 0.06 -0.18 3.84 -2.24 -0.50 -4.37 114.28 109.58 3g4y n THR 47 Ca 0.07 -0.16 0.09 0.00 -2.27 0.00 0.00 64.05 61.78 3g4y n THR 47 Cb 0.13 0.48 0.40 0.00 -2.10 0.00 0.00 70.33 69.24 3g4y n THR 47 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 3g4y h ILE 48 N 0.00 0.95 -0.88 2.28 2.04 -1.64 -2.40 117.51 117.87 3g4y h ILE 48 Ca 0.00 -0.22 0.16 0.00 1.00 0.00 0.00 64.86 65.79 3g4y h ILE 48 Cb 0.65 0.24 -0.07 0.00 -0.74 0.00 0.00 36.82 36.90 3g4y h ILE 48 CO 0.00 0.12 0.57 1.23 0.00 0.00 0.00 178.15 180.07 3g4y h GLY 49 N 0.66 1.12 2.00 5.37 0.00 -1.79 -0.82 103.07 109.60 3g4y h GLY 49 Ca 0.33 -0.27 -0.02 0.00 0.00 0.00 0.00 47.33 47.37 3g4y h GLY 49 CO -0.12 0.06 -0.11 -0.97 0.00 0.00 0.00 176.54 175.41 3g4y h TYR 50 N 0.61 0.00 -0.84 5.60 0.05 -1.74 -3.05 116.97 117.60 3g4y h TYR 50 Ca 0.45 0.00 -0.43 0.00 0.05 0.00 0.00 58.73 58.80 3g4y h TYR 50 Cb 0.84 0.00 -0.26 0.00 1.01 0.00 0.00 36.73 38.32 3g4y h TYR 50 CO -0.00 0.11 0.54 1.19 -1.05 0.00 0.00 178.16 178.95 3g4y n PHE 51 N -3.83 2.58 -0.34 4.88 3.72 -0.31 -4.67 117.46 119.49 3g4y n PHE 51 Ca -0.02 -1.62 0.19 0.00 -0.05 0.00 0.00 57.45 55.95 3g4y n PHE 51 Cb 0.20 -0.83 0.42 0.00 -0.94 0.00 0.00 39.48 38.33 3g4y n PHE 51 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 3g4y h LYS 52 N 0.90 0.52 0.00 -1.08 3.64 -1.65 -1.15 116.57 117.75 3g4y h LYS 52 Ca 0.53 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.87 3g4y h LYS 52 Cb 2.57 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 34.27 3g4y h LYS 52 CO 0.92 0.34 -0.02 -0.09 -2.27 0.00 0.00 179.45 178.34 3g4y h ARG 53 N 0.53 0.00 0.00 1.90 2.43 -1.91 -2.40 114.38 114.93 3g4y h ARG 53 Ca 0.64 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.81 3g4y h ARG 53 Cb 1.31 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.86 3g4y h ARG 53 CO -0.44 0.02 0.00 1.28 -1.51 0.00 0.00 179.97 179.31 3g4y n LEU 54 N -4.27 0.00 0.00 3.80 4.77 -0.43 -5.01 117.00 115.86 3g4y n LEU 54 Ca -0.03 0.46 0.00 0.00 -0.03 0.00 0.00 56.01 56.41 3g4y n LEU 54 Cb 0.10 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.74 3g4y n LEU 54 CO 0.32 -0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 3g4y n GLY 55 N 1.10 0.35 3.52 -0.72 0.00 -0.91 -4.53 105.19 104.01 3g4y n GLY 55 Ca 0.07 -0.93 -0.42 0.00 0.00 0.00 0.00 46.02 44.75 3g4y n GLY 55 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3g4y s ASP 56 N -4.00 6.44 0.21 1.61 2.15 -1.26 -4.85 116.67 116.97 3g4y s ASP 56 Ca 0.00 -1.38 0.21 0.00 0.43 0.00 0.00 52.55 51.81 3g4y s ASP 56 Cb 0.00 -2.51 0.91 0.00 -0.30 0.00 0.00 42.92 41.01 3g4y s ASP 56 CO 0.00 -1.45 1.63 1.33 -0.17 0.00 0.00 175.17 176.50 3g4y n VAL 57 N 6.38 0.95 0.50 1.11 0.24 -1.26 -2.44 118.33 123.81 3g4y n VAL 57 Ca 0.22 0.33 0.09 0.00 -2.04 0.00 0.00 64.34 62.95 3g4y n VAL 57 Cb 0.50 -1.25 0.39 0.00 -1.47 0.00 0.00 33.84 32.01 3g4y n VAL 57 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3g4y n SER 58 N -2.09 0.25 0.08 -1.34 3.41 -1.26 -2.07 113.62 110.60 3g4y n SER 58 Ca 0.02 0.56 0.13 0.00 -0.26 0.00 0.00 58.87 59.31 3g4y n SER 58 Cb 0.17 -0.61 0.46 0.00 -0.26 0.00 0.00 64.21 63.97 3g4y n SER 58 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3g4y n GLN 59 N -1.77 0.19 0.00 4.33 6.02 -1.02 -4.97 117.38 120.16 3g4y n GLN 59 Ca 0.03 0.19 0.00 0.00 -0.01 0.00 0.00 57.00 57.22 3g4y n GLN 59 Cb 0.21 -1.74 0.00 0.00 1.02 0.00 0.00 30.24 29.73 3g4y n GLN 59 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3g4y n GLY 60 N 1.16 3.54 0.36 1.08 0.00 -0.88 -2.29 105.19 108.16 3g4y n GLY 60 Ca 0.05 -0.02 0.18 0.00 0.00 0.00 0.00 46.02 46.24 3g4y n GLY 60 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3g4y h MET 61 N 0.00 0.00 0.00 1.61 1.85 -1.93 -1.02 114.93 115.44 3g4y h MET 61 Ca 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.09 3g4y h MET 61 Cb 0.00 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.03 3g4y h MET 61 CO 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 176.91 176.51 3g4y h ALA 62 N 1.73 1.00 -1.97 0.39 0.00 -1.88 -3.42 119.26 115.11 3g4y h ALA 62 Ca 0.16 0.00 -0.62 0.00 0.00 0.00 0.00 54.91 54.46 3g4y h ALA 62 Cb 0.75 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.42 3g4y h ALA 62 CO -0.00 0.00 0.46 1.21 0.00 0.00 0.00 179.25 180.92 3g4y s ASN 63 N -5.13 6.43 0.27 0.00 3.84 -0.39 -4.94 114.94 115.02 3g4y s ASN 63 Ca 0.04 -0.06 -0.03 0.00 0.21 0.00 0.00 52.86 53.02 3g4y s ASN 63 Cb 0.09 -2.41 0.39 0.00 -0.55 0.00 0.00 41.25 38.76 3g4y s ASN 63 CO 0.51 -1.00 1.91 0.44 -2.79 0.00 0.00 177.10 176.17 3g4y h ASP 64 N 9.06 1.05 -0.37 -4.21 3.32 -1.86 -0.36 116.42 123.04 3g4y h ASP 64 Ca -0.25 -0.01 -0.12 0.00 0.02 0.00 0.00 57.03 56.68 3g4y h ASP 64 Cb 1.08 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.38 3g4y h ASP 64 CO 1.00 0.71 -0.19 0.11 -1.72 0.00 0.00 179.24 179.15 3g4y h LYS 65 N 1.21 0.86 -0.42 3.56 1.57 -1.92 -0.82 116.57 120.60 3g4y h LYS 65 Ca 0.40 -0.34 -0.13 0.00 -1.87 0.00 0.00 60.65 58.71 3g4y h LYS 65 Cb 0.05 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 3g4y h LYS 65 CO -0.13 0.97 -0.26 1.25 -0.57 0.00 0.00 179.45 180.71 3g4y h LEU 66 N 0.75 0.91 -0.36 2.94 5.85 -1.66 -1.35 115.31 122.39 3g4y h LEU 66 Ca 0.11 -0.36 -0.05 0.00 0.84 0.00 0.00 57.88 58.42 3g4y h LEU 66 Cb 0.72 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 3g4y h LEU 66 CO 0.06 1.12 0.05 -0.09 -0.34 0.00 0.00 178.44 179.23 3g4y h ARG 67 N 0.76 0.61 -0.69 1.25 2.43 -0.86 0.70 114.38 118.57 3g4y h ARG 67 Ca 0.09 -0.17 -0.05 0.00 -0.81 0.00 0.00 59.98 59.04 3g4y h ARG 67 Cb 0.81 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.27 3g4y h ARG 67 CO 0.07 0.69 0.23 0.78 -1.51 0.00 0.00 179.97 180.22 3g4y h GLY 68 N 0.44 1.13 0.88 2.80 0.00 -1.08 -1.17 103.07 106.08 3g4y h GLY 68 Ca 0.11 -0.64 -0.05 0.00 0.00 0.00 0.00 47.33 46.74 3g4y h GLY 68 CO 0.01 0.60 -0.03 0.84 0.00 0.00 0.00 176.54 177.97 3g4y h HIS 69 N 1.02 0.60 -0.52 5.60 -0.00 -1.04 -2.55 115.15 118.26 3g4y h HIS 69 Ca 0.23 -0.11 -0.04 0.00 -0.00 0.00 0.00 60.37 60.44 3g4y h HIS 69 Cb 0.27 -0.15 -0.02 0.00 -0.00 0.00 0.00 27.41 27.50 3g4y h HIS 69 CO 0.02 0.70 0.16 0.77 -0.00 0.00 0.00 177.93 179.58 3g4y h SER 70 N 0.33 0.76 -0.44 3.26 0.02 -0.58 -0.79 113.55 116.11 3g4y h SER 70 Ca 0.08 -0.21 -0.03 0.00 -0.84 0.00 0.00 61.79 60.79 3g4y h SER 70 Cb 0.48 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 3g4y h SER 70 CO 0.02 0.77 0.14 0.40 -1.14 0.00 0.00 176.83 177.02 3g4y h ILE 71 N 0.71 1.22 -0.75 3.27 2.04 -1.25 -2.78 117.51 119.97 3g4y h ILE 71 Ca 0.17 -0.72 -0.03 0.00 1.00 0.00 0.00 64.86 65.28 3g4y h ILE 71 Cb 0.28 0.87 -0.04 0.00 -0.74 0.00 0.00 36.82 37.19 3g4y h ILE 71 CO -0.00 0.26 0.37 0.74 0.00 0.00 0.00 178.15 179.51 3g4y h THR 72 N 0.56 1.24 -0.83 -0.27 2.02 -1.26 -2.09 112.91 112.29 3g4y h THR 72 Ca 0.14 -0.65 0.03 0.00 0.77 0.00 0.00 66.41 66.70 3g4y h THR 72 Cb 0.26 0.26 -0.05 0.00 -1.74 0.00 0.00 68.15 66.89 3g4y h THR 72 CO -0.01 0.28 0.55 0.25 0.37 0.00 0.00 175.52 176.96 3g4y h LEU 73 N 1.07 0.89 -1.52 2.58 6.46 -0.92 -1.27 115.31 122.60 3g4y h LEU 73 Ca 0.26 -0.01 -0.05 0.00 -0.12 0.00 0.00 57.88 57.96 3g4y h LEU 73 Cb 0.10 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 39.81 3g4y h LEU 73 CO -0.03 0.62 -0.24 0.24 -0.62 0.00 0.00 178.44 178.40 3g4y h MET 74 N 1.04 0.00 0.00 1.25 2.86 -1.11 -1.46 114.93 117.51 3g4y h MET 74 Ca 0.33 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.97 3g4y h MET 74 Cb 0.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.67 3g4y h MET 74 CO -0.09 0.24 0.00 1.88 1.06 0.00 0.00 176.91 180.00 3g4y h TYR 75 N 0.00 0.00 -0.14 -0.22 0.05 -1.09 -1.02 116.97 114.55 3g4y h TYR 75 Ca -0.00 0.00 -0.22 0.00 0.05 0.00 0.00 58.73 58.56 3g4y h TYR 75 Cb 0.52 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.27 3g4y h TYR 75 CO 0.00 0.00 -0.78 0.00 -1.05 0.00 0.00 178.16 176.33 3g4y h ALA 76 N 2.16 0.35 -0.27 3.88 0.00 -0.93 -1.78 119.26 122.67 3g4y h ALA 76 Ca 0.00 -0.61 -0.16 0.00 0.00 0.00 0.00 54.91 54.14 3g4y h ALA 76 Cb 0.84 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 3g4y h ALA 76 CO 0.00 0.70 -0.48 -0.07 0.00 0.00 0.00 179.25 179.40 3g4y h LEU 77 N 0.50 0.78 -0.97 0.00 3.38 -1.24 -2.23 115.31 115.52 3g4y h LEU 77 Ca -0.05 -0.39 0.01 0.00 0.09 0.00 0.00 57.88 57.54 3g4y h LEU 77 Cb 1.40 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.88 3g4y h LEU 77 CO 0.16 1.13 0.64 -0.61 0.09 0.00 0.00 178.44 179.85 3g4y h GLN 78 N 0.57 1.27 0.22 1.13 5.75 -1.12 -1.41 115.11 121.52 3g4y h GLN 78 Ca 0.03 -0.08 -0.00 0.00 -0.15 0.00 0.00 58.65 58.45 3g4y h GLN 78 Cb 1.04 -0.29 -0.01 0.00 1.07 0.00 0.00 27.48 29.29 3g4y h GLN 78 CO 0.10 0.84 -0.16 -0.97 -2.65 0.00 0.00 178.83 175.98 3g4y h ASN 79 N 1.31 -0.42 -0.36 -0.69 -0.73 -1.08 -1.37 115.58 112.23 3g4y h ASN 79 Ca 0.35 0.03 0.06 0.00 1.87 0.00 0.00 56.30 58.62 3g4y h ASN 79 Cb -0.15 0.14 -0.06 0.00 0.27 0.00 0.00 38.32 38.52 3g4y h ASN 79 CO -0.08 -0.26 0.02 -0.26 -0.37 0.00 0.00 177.43 176.48 3g4y h PHE 80 N -0.39 0.01 -0.61 0.67 0.04 -0.87 -2.06 116.94 113.72 3g4y h PHE 80 Ca -0.01 0.03 0.03 0.00 2.80 0.00 0.00 57.97 60.82 3g4y h PHE 80 Cb 0.34 0.05 -0.04 0.00 2.20 0.00 0.00 35.95 38.50 3g4y h PHE 80 CO -0.11 -0.05 0.37 0.82 -0.60 0.00 0.00 178.31 178.74 3g4y h ILE 81 N 0.12 1.05 0.00 -0.55 1.08 -1.09 -1.70 117.51 116.42 3g4y h ILE 81 Ca 0.17 -0.25 -0.00 0.00 -0.39 0.00 0.00 64.86 64.40 3g4y h ILE 81 Cb 0.23 0.27 -0.00 0.00 -3.07 0.00 0.00 36.82 34.26 3g4y h ILE 81 CO -0.28 0.13 -0.02 0.44 -0.69 0.00 0.00 178.15 177.73 3g4y h ASP 82 N 0.71 0.00 -0.16 1.72 3.32 -0.69 -2.73 116.42 118.60 3g4y h ASP 82 Ca 0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.30 3g4y h ASP 82 Cb 0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.60 3g4y h ASP 82 CO -0.12 0.02 0.00 0.00 -1.72 0.00 0.00 179.24 177.42 3g4y n GLN 83 N -3.16 2.10 0.10 3.56 1.13 -0.65 -4.48 117.38 115.97 3g4y n GLN 83 Ca -0.01 -1.63 0.17 0.00 -1.94 0.00 0.00 57.00 53.59 3g4y n GLN 83 Cb 0.22 -1.46 0.70 0.00 0.11 0.00 0.00 30.24 29.81 3g4y n GLN 83 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 3g4y h LEU 84 N 3.56 0.00 -1.02 1.08 3.38 -1.29 -2.07 115.31 118.96 3g4y h LEU 84 Ca 0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 3g4y h LEU 84 Cb 0.77 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 3g4y h LEU 84 CO 0.00 0.00 -0.46 0.44 0.09 0.00 0.00 178.44 178.51 3g4y h ASP 85 N 0.00 0.08 -3.69 -0.43 3.32 -1.84 -3.40 116.42 110.46 3g4y h ASP 85 Ca 0.16 -0.03 -0.65 0.00 0.02 0.00 0.00 57.03 56.52 3g4y h ASP 85 Cb 0.68 -0.02 -0.39 0.00 0.22 0.00 0.00 39.33 39.82 3g4y h ASP 85 CO -0.00 0.53 -0.74 0.21 -1.72 0.00 0.00 179.24 177.51 3g4y s ASN 86 N -6.90 4.61 0.42 6.45 3.84 -0.78 -5.00 114.94 117.59 3g4y s ASN 86 Ca -0.03 -1.93 0.14 0.00 0.21 0.00 0.00 52.86 51.25 3g4y s ASN 86 Cb 0.14 -1.54 1.00 0.00 -0.55 0.00 0.00 41.25 40.29 3g4y s ASN 86 CO 0.75 -0.34 1.94 1.55 -2.79 0.00 0.00 177.10 178.22 3g4y h PRO 87 N 7.69 0.45 -0.43 0.43 0.13 -1.79 -0.85 132.00 137.63 3g4y h PRO 87 Ca -0.08 -0.03 -0.08 0.00 -0.87 0.00 0.00 66.00 64.94 3g4y h PRO 87 Cb 1.03 -0.10 -0.02 0.00 0.13 0.00 0.00 31.00 32.04 3g4y h PRO 87 CO 0.50 0.30 -0.05 -0.44 -0.23 0.00 0.00 178.00 178.08 3g4y h ASP 88 N 0.46 0.69 0.66 1.44 3.32 -1.94 -0.27 116.42 120.79 3g4y h ASP 88 Ca 0.33 -0.18 -0.26 0.00 0.02 0.00 0.00 57.03 56.94 3g4y h ASP 88 Cb 0.67 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.03 3g4y h ASP 88 CO -0.11 0.79 -1.20 0.44 -1.72 0.00 0.00 179.24 177.45 3g4y h ASP 89 N 0.67 0.38 -0.26 6.45 3.32 -1.65 -2.87 116.42 122.46 3g4y h ASP 89 Ca 0.13 -0.40 -0.01 0.00 0.02 0.00 0.00 57.03 56.77 3g4y h ASP 89 Cb 0.48 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 3g4y h ASP 89 CO 0.02 1.30 0.14 0.25 -1.72 0.00 0.00 179.24 179.24 3g4y h LEU 90 N 0.07 0.33 -0.47 1.55 5.85 -0.94 -2.43 115.31 119.27 3g4y h LEU 90 Ca -0.12 -0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.52 3g4y h LEU 90 Cb 1.92 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 42.84 3g4y h LEU 90 CO 0.19 0.33 0.29 0.58 -0.34 0.00 0.00 178.44 179.49 3g4y h VAL 91 N 0.30 1.06 -0.09 1.05 2.07 -1.10 -0.78 116.25 118.76 3g4y h VAL 91 Ca 0.09 -0.20 -0.06 0.00 0.82 0.00 0.00 66.70 67.35 3g4y h VAL 91 Cb 0.08 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 3g4y h VAL 91 CO -0.01 0.11 -0.23 0.00 0.02 0.00 0.00 177.57 177.45 3g4y h VAL 93 N 0.14 1.58 -0.49 0.00 -1.51 -1.13 -2.64 116.25 112.20 3g4y h VAL 93 Ca 0.02 -3.14 -0.06 0.00 -1.23 0.00 0.00 66.70 62.30 3g4y h VAL 93 Cb 0.50 2.84 -0.02 0.00 -2.13 0.00 0.00 31.29 32.48 3g4y h VAL 93 CO 0.03 0.91 0.08 0.58 -1.23 0.00 0.00 177.57 177.94 3g4y h VAL 94 N 0.05 1.25 -0.05 7.19 2.07 -0.78 -2.29 116.25 123.69 3g4y h VAL 94 Ca -0.07 -0.93 -0.06 0.00 0.82 0.00 0.00 66.70 66.46 3g4y h VAL 94 Cb 1.83 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 32.49 3g4y h VAL 94 CO 0.17 0.33 -0.25 -0.33 0.02 0.00 0.00 177.57 177.51 3g4y h GLU 95 N 0.68 0.08 -0.12 1.57 5.08 -1.09 0.77 114.58 121.56 3g4y h GLU 95 Ca 0.15 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 3g4y h GLU 95 Cb 0.39 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 3g4y h GLU 95 CO 0.01 0.33 0.02 -0.22 -1.00 0.00 0.00 179.01 178.15 3g4y h LYS 96 N 0.07 0.19 0.00 2.33 3.11 -1.08 -2.47 116.57 118.72 3g4y h LYS 96 Ca 0.01 -0.05 -0.06 0.00 -2.81 0.00 0.00 60.65 57.74 3g4y h LYS 96 Cb 0.48 -0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.68 3g4y h LYS 96 CO 0.03 0.37 -0.30 0.74 -2.81 0.00 0.00 179.45 177.49 3g4y h PHE 97 N -0.03 0.00 -0.73 1.91 0.04 -1.03 -2.81 116.94 114.30 3g4y h PHE 97 Ca 0.04 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.74 3g4y h PHE 97 Cb 0.27 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.39 3g4y h PHE 97 CO 0.01 0.30 0.19 0.00 -0.60 0.00 0.00 178.31 178.21 3g4y h ALA 98 N 1.70 0.96 -0.77 2.45 0.00 -0.61 -2.54 119.26 120.46 3g4y h ALA 98 Ca -0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 3g4y h ALA 98 Cb 0.80 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 3g4y h ALA 98 CO 0.04 0.67 0.38 0.28 0.00 0.00 0.00 179.25 180.62 3g4y h VAL 99 N 1.10 1.24 -0.01 0.00 2.07 -1.18 0.19 116.25 119.65 3g4y h VAL 99 Ca 0.23 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 67.09 3g4y h VAL 99 Cb 0.36 0.24 -0.00 0.00 -1.52 0.00 0.00 31.29 30.37 3g4y h VAL 99 CO -0.00 0.28 0.01 0.78 0.02 0.00 0.00 177.57 178.66 3g4y h ASN 100 N 1.09 0.00 0.30 0.57 -0.26 -1.39 -1.96 115.58 113.93 3g4y h ASN 100 Ca 0.27 0.00 -0.32 0.00 -0.56 0.00 0.00 56.30 55.68 3g4y h ASN 100 Cb 0.10 0.00 -0.06 0.00 -1.06 0.00 0.00 38.32 37.30 3g4y h ASN 100 CO -0.04 0.00 -1.97 1.41 -1.06 0.00 0.00 177.43 175.77 3g4y n HIS 101 N -4.47 0.64 -0.21 1.19 8.25 -0.64 -3.89 115.22 116.09 3g4y n HIS 101 Ca -0.03 0.23 -0.04 0.00 -0.26 0.00 0.00 57.72 57.62 3g4y n HIS 101 Cb 0.10 -1.12 0.14 0.00 1.12 0.00 0.00 29.99 30.24 3g4y n HIS 101 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 3g4y h ILE 102 N 0.00 1.24 0.00 1.59 2.04 -0.32 -1.43 117.51 120.63 3g4y h ILE 102 Ca -0.39 -0.78 -0.03 0.00 1.00 0.00 0.00 64.86 64.66 3g4y h ILE 102 Cb 2.09 0.46 -0.00 0.00 -0.74 0.00 0.00 36.82 38.63 3g4y h ILE 102 CO 0.06 0.31 -0.14 0.71 0.00 0.00 0.00 178.15 179.09 3g4y h THR 103 N 0.98 0.52 -0.28 -0.27 1.35 -1.52 -1.40 112.91 112.30 3g4y h THR 103 Ca 0.22 -0.66 0.00 0.00 -0.55 0.00 0.00 66.41 65.42 3g4y h THR 103 Cb 0.22 1.44 0.00 0.00 -1.73 0.00 0.00 68.15 68.09 3g4y h THR 103 CO -0.02 0.14 0.00 0.54 -0.25 0.00 0.00 175.52 175.93 3g4y n ARG 104 N -3.54 1.90 -2.65 4.72 3.00 -0.63 -4.93 116.66 114.53 3g4y n ARG 104 Ca -0.01 -1.38 -0.14 0.00 -0.01 0.00 0.00 57.85 56.31 3g4y n ARG 104 Cb 0.28 -1.38 0.02 0.00 0.00 0.00 0.00 32.46 31.38 3g4y n ARG 104 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 3g4y n LYS 105 N 0.60 -2.77 -3.37 5.56 4.76 -0.53 -5.00 118.16 117.42 3g4y n LYS 105 Ca 0.16 0.60 -0.40 0.00 -2.87 0.00 0.00 58.31 55.80 3g4y n LYS 105 Cb 0.37 -4.79 -0.09 0.00 -1.84 0.00 0.00 35.03 28.68 3g4y n LYS 105 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3g4y s ILE 106 N -2.89 5.15 0.71 -0.18 -1.09 -0.67 -5.04 121.20 117.19 3g4y s ILE 106 Ca 0.16 0.38 -0.09 0.00 -2.23 0.00 0.00 60.65 58.88 3g4y s ILE 106 Cb -0.07 -3.78 0.05 0.00 -1.58 0.00 0.00 42.46 37.08 3g4y s ILE 106 CO 0.20 0.02 1.05 -0.94 -1.23 0.00 0.00 174.94 174.04 3g4y s SER 107 N 1.69 4.96 0.26 3.58 1.04 -1.26 -4.50 113.70 119.46 3g4y s SER 107 Ca 0.15 0.68 -0.04 0.00 0.48 0.00 0.00 55.95 57.22 3g4y s SER 107 Cb -0.16 -1.37 0.32 0.00 0.10 0.00 0.00 66.02 64.91 3g4y s SER 107 CO 0.11 -1.55 1.88 0.00 0.98 0.00 0.00 173.24 174.66 3g4y h ALA 108 N -0.66 1.24 -0.46 5.32 0.00 -1.88 -0.87 119.26 121.95 3g4y h ALA 108 Ca -0.45 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.31 3g4y h ALA 108 Cb 1.30 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 3g4y h ALA 108 CO 0.62 0.61 0.18 0.00 0.00 0.00 0.00 179.25 180.66 3g4y h ALA 109 N 1.34 0.60 -0.05 0.00 0.00 -1.94 -1.87 119.26 117.35 3g4y h ALA 109 Ca 0.28 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.88 3g4y h ALA 109 Cb 0.04 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3g4y h ALA 109 CO -0.04 0.21 -0.69 0.93 0.00 0.00 0.00 179.25 179.65 3g4y h GLU 110 N 0.60 0.24 -0.52 0.00 5.08 -1.87 -2.80 114.58 115.31 3g4y h GLU 110 Ca 0.15 -0.19 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 3g4y h GLU 110 Cb 0.20 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 3g4y h GLU 110 CO -0.01 0.84 0.18 0.35 -1.00 0.00 0.00 179.01 179.37 3g4y h PHE 111 N 0.16 0.76 0.00 4.33 3.57 -1.03 -1.61 116.94 123.13 3g4y h PHE 111 Ca -0.02 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.44 3g4y h PHE 111 Cb 1.24 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.75 3g4y h PHE 111 CO 0.03 0.61 0.00 0.41 -2.23 0.00 0.00 178.31 177.13 3g4y n GLY 112 N -1.03 -0.91 0.03 2.40 0.00 -0.72 -2.01 105.19 102.95 3g4y n GLY 112 Ca 0.04 0.12 0.06 0.00 0.00 0.00 0.00 46.02 46.25 3g4y n GLY 112 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3g4y n LYS 113 N -2.07 0.04 0.16 1.61 5.02 -0.60 -1.90 118.16 120.40 3g4y n LYS 113 Ca -0.00 0.36 0.13 0.00 -2.02 0.00 0.00 58.31 56.78 3g4y n LYS 113 Cb 0.08 -1.58 0.44 0.00 -0.02 0.00 0.00 35.03 33.95 3g4y n LYS 113 CO 0.00 0.00 0.00 0.97 -0.52 0.00 0.00 177.40 177.85 3g4y h ILE 114 N 0.00 0.00 -0.65 -0.18 6.09 -1.61 -3.23 117.51 117.93 3g4y h ILE 114 Ca 0.00 -0.49 -0.03 0.00 -1.37 0.00 0.00 64.86 62.98 3g4y h ILE 114 Cb 0.19 1.40 -0.03 0.00 0.47 0.00 0.00 36.82 38.86 3g4y h ILE 114 CO 0.00 0.00 0.31 0.78 -3.07 0.00 0.00 178.15 176.17 3g4y h ASN 115 N 0.00 0.84 0.56 2.19 -0.26 -1.62 -1.77 115.58 115.52 3g4y h ASN 115 Ca 0.00 -0.09 -0.03 0.00 -0.56 0.00 0.00 56.30 55.62 3g4y h ASN 115 Cb 0.63 -0.22 0.01 0.00 -1.06 0.00 0.00 38.32 37.68 3g4y h ASN 115 CO 0.00 0.72 -0.27 1.23 -1.06 0.00 0.00 177.43 178.05 3g4y h GLY 116 N 1.01 -0.79 0.58 2.83 0.00 -1.78 -1.77 103.07 103.14 3g4y h GLY 116 Ca 0.23 0.29 0.09 0.00 0.00 0.00 0.00 47.33 47.94 3g4y h GLY 116 CO -0.03 -0.29 0.51 -2.55 0.00 0.00 0.00 176.54 174.18 3g4y h PRO 117 N -0.83 0.84 -0.52 4.80 0.11 -1.71 -1.46 132.00 133.23 3g4y h PRO 117 Ca -0.08 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.98 3g4y h PRO 117 Cb 0.61 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 31.51 3g4y h PRO 117 CO 0.13 0.56 0.32 0.82 -0.21 0.00 0.00 178.00 179.61 3g4y h ILE 118 N 0.87 1.15 -0.70 4.15 2.04 -1.22 -0.37 117.51 123.43 3g4y h ILE 118 Ca 0.40 -0.33 -0.04 0.00 1.00 0.00 0.00 64.86 65.88 3g4y h ILE 118 Cb 0.32 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 36.81 3g4y h ILE 118 CO -0.23 0.16 0.27 0.50 0.00 0.00 0.00 178.15 178.85 3g4y h LYS 119 N 0.69 1.05 -0.32 2.37 3.64 -0.73 -0.82 116.57 122.46 3g4y h LYS 119 Ca 0.19 -0.19 -0.04 0.00 -1.27 0.00 0.00 60.65 59.33 3g4y h LYS 119 Cb -0.02 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.62 3g4y h LYS 119 CO -0.04 0.87 0.05 0.87 -2.27 0.00 0.00 179.45 178.94 3g4y h LYS 120 N 1.00 0.53 -0.52 1.90 1.57 -0.91 -0.21 116.57 119.93 3g4y h LYS 120 Ca 0.23 -0.14 -0.10 0.00 -1.87 0.00 0.00 60.65 58.77 3g4y h LYS 120 Cb 0.22 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 3g4y h LYS 120 CO -0.02 0.62 -0.07 0.28 -0.57 0.00 0.00 179.45 179.69 3g4y h VAL 121 N 0.35 1.26 -0.55 0.50 2.07 -0.96 -2.05 116.25 116.88 3g4y h VAL 121 Ca 0.10 -1.18 -0.04 0.00 0.82 0.00 0.00 66.70 66.39 3g4y h VAL 121 Cb 0.35 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 3g4y h VAL 121 CO 0.01 0.41 0.17 -0.07 0.02 0.00 0.00 177.57 178.11 3g4y h LEU 122 N 0.84 0.79 -1.32 2.57 3.38 -1.02 -2.75 115.31 117.80 3g4y h LEU 122 Ca 0.14 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 57.91 3g4y h LEU 122 Cb 0.59 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 3g4y h LEU 122 CO 0.04 0.79 0.45 0.00 0.09 0.00 0.00 178.44 179.80 3g4y h ALA 123 N 1.04 1.51 0.00 1.53 0.00 -0.76 -0.11 119.26 122.46 3g4y h ALA 123 Ca 0.18 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3g4y h ALA 123 Cb 0.28 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3g4y h ALA 123 CO -0.01 0.46 0.00 -1.13 0.00 0.00 0.00 179.25 178.57 3g4y n SER 124 N -4.43 0.51 -0.88 0.00 3.41 -0.80 -1.76 113.62 109.68 3g4y n SER 124 Ca 0.07 0.63 0.08 0.00 -0.26 0.00 0.00 58.87 59.39 3g4y n SER 124 Cb 0.04 -0.74 0.20 0.00 -0.26 0.00 0.00 64.21 63.46 3g4y n SER 124 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3g4y n LYS 125 N -2.07 2.72 -2.00 4.33 4.76 -0.19 -4.96 118.16 120.74 3g4y n LYS 125 Ca 0.02 -2.22 -0.04 0.00 -2.87 0.00 0.00 58.31 53.20 3g4y n LYS 125 Cb 0.20 -1.37 -0.00 0.00 -1.84 0.00 0.00 35.03 32.02 3g4y n LYS 125 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3g4y n ASN 126 N 0.92 -2.15 -4.26 4.39 2.85 -0.72 -5.04 115.26 111.25 3g4y n ASN 126 Ca 0.16 0.01 -0.35 0.00 -0.11 0.00 0.00 54.58 54.28 3g4y n ASN 126 Cb 0.49 -1.41 -0.14 0.00 1.24 0.00 0.00 39.78 39.96 3g4y n ASN 126 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 3g4y s PHE 127 N -2.21 3.05 0.00 1.20 0.40 -0.39 -5.00 117.98 115.04 3g4y s PHE 127 Ca 0.00 -1.25 0.00 0.00 -0.60 0.00 0.00 56.93 55.08 3g4y s PHE 127 Cb 0.00 -2.11 0.00 0.00 0.51 0.00 0.00 43.02 41.42 3g4y s PHE 127 CO 0.00 -0.64 0.00 0.41 0.70 0.00 0.00 175.22 175.69 3g4y n GLY 128 N 4.75 -0.47 0.39 4.36 0.00 -1.26 -2.82 105.19 110.13 3g4y n GLY 128 Ca -0.17 -1.73 0.22 0.00 0.00 0.00 0.00 46.02 44.34 3g4y n GLY 128 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3g4y h ASP 129 N 0.00 0.52 -0.47 1.61 5.19 -1.98 -1.11 116.42 120.17 3g4y h ASP 129 Ca 0.00 0.11 0.10 0.00 -0.62 0.00 0.00 57.03 56.62 3g4y h ASP 129 Cb 0.00 0.03 -0.09 0.00 0.18 0.00 0.00 39.33 39.45 3g4y h ASP 129 CO 0.00 0.06 -0.14 0.50 -3.12 0.00 0.00 179.24 176.55 3g4y h LYS 130 N 0.44 -0.02 -0.14 3.56 3.64 -2.00 0.15 116.57 122.20 3g4y h LYS 130 Ca 0.64 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.84 3g4y h LYS 130 Cb 1.49 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.31 3g4y h LYS 130 CO -0.39 -0.01 -0.65 1.88 -2.27 0.00 0.00 179.45 178.01 3g4y h TYR 131 N -0.02 0.68 -0.78 1.91 0.05 -1.55 -2.73 116.97 114.53 3g4y h TYR 131 Ca 0.23 -0.27 -0.05 0.00 0.05 0.00 0.00 58.73 58.69 3g4y h TYR 131 Cb 0.37 -0.12 -0.03 0.00 1.01 0.00 0.00 36.73 37.96 3g4y h TYR 131 CO -0.42 1.03 0.30 0.00 -1.05 0.00 0.00 178.16 178.01 3g4y h ALA 132 N 0.91 1.05 -0.22 3.88 0.00 -0.88 -1.67 119.26 122.33 3g4y h ALA 132 Ca -0.01 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.59 3g4y h ALA 132 Cb 1.21 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 3g4y h ALA 132 CO 0.12 0.66 -0.32 -0.91 0.00 0.00 0.00 179.25 178.80 3g4y h ASN 133 N 1.14 0.46 -0.38 0.00 -0.26 -0.68 -1.03 115.58 114.83 3g4y h ASN 133 Ca 0.26 -0.17 -0.04 0.00 -0.56 0.00 0.00 56.30 55.78 3g4y h ASN 133 Cb 0.24 -0.13 -0.02 0.00 -1.06 0.00 0.00 38.32 37.35 3g4y h ASN 133 CO -0.02 0.76 0.08 0.00 -1.06 0.00 0.00 177.43 177.18 3g4y h ALA 134 N 1.28 0.50 0.00 -0.83 0.00 -1.13 -2.40 119.26 116.68 3g4y h ALA 134 Ca 0.05 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 3g4y h ALA 134 Cb 0.75 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3g4y h ALA 134 CO 0.06 0.19 -0.31 -1.49 0.00 0.00 0.00 179.25 177.69 3g4y h TRP 135 N 0.47 0.00 -0.10 0.00 4.06 -1.08 -2.03 115.95 117.27 3g4y h TRP 135 Ca 0.12 0.00 -0.07 0.00 2.06 0.00 0.00 58.89 60.99 3g4y h TRP 135 Cb 0.34 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.48 3g4y h TRP 135 CO 0.02 0.31 -0.27 0.00 -3.56 0.00 0.00 178.44 174.95 3g4y h ALA 136 N 1.69 1.37 -0.12 1.49 0.00 -0.75 -0.99 119.26 121.95 3g4y h ALA 136 Ca -0.00 -0.29 -0.15 0.00 0.00 0.00 0.00 54.91 54.47 3g4y h ALA 136 Cb 0.64 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3g4y h ALA 136 CO 0.04 0.44 -0.56 0.87 0.00 0.00 0.00 179.25 180.04 3g4y h LYS 137 N 0.15 0.36 -0.17 0.00 1.57 -0.89 -1.15 116.57 116.44 3g4y h LYS 137 Ca 0.02 -0.23 -0.15 0.00 -1.87 0.00 0.00 60.65 58.43 3g4y h LYS 137 Cb 0.56 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.90 3g4y h LYS 137 CO 0.04 0.82 -0.46 1.25 -0.57 0.00 0.00 179.45 180.53 3g4y h LEU 138 N 0.27 0.71 -1.66 2.94 5.85 -1.28 -2.92 115.31 119.22 3g4y h LEU 138 Ca 0.00 -0.58 -0.00 0.00 0.84 0.00 0.00 57.88 58.14 3g4y h LEU 138 Cb 1.06 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.87 3g4y h LEU 138 CO 0.09 1.16 0.19 0.58 -0.34 0.00 0.00 178.44 180.12 3g4y h VAL 139 N 0.29 1.09 0.00 1.05 2.07 -1.11 -0.98 116.25 118.66 3g4y h VAL 139 Ca -0.01 -0.20 -0.03 0.00 0.82 0.00 0.00 66.70 67.29 3g4y h VAL 139 Cb 1.07 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 31.49 3g4y h VAL 139 CO 0.10 0.09 -0.13 0.00 0.02 0.00 0.00 177.57 177.65 3g4y h ALA 140 N 1.78 1.29 -0.38 1.67 0.00 -1.02 -1.33 119.26 121.27 3g4y h ALA 140 Ca 0.11 -0.12 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 3g4y h ALA 140 Cb -0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3g4y h ALA 140 CO -0.02 0.17 -0.38 0.28 0.00 0.00 0.00 179.25 179.29 3g4y h VAL 141 N 0.00 1.27 -0.39 0.00 2.07 -1.09 -1.92 116.25 116.19 3g4y h VAL 141 Ca -0.00 -1.55 -0.12 0.00 0.82 0.00 0.00 66.70 65.85 3g4y h VAL 141 Cb 0.36 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 3g4y h VAL 141 CO 0.02 0.52 -0.22 0.58 0.02 0.00 0.00 177.57 178.49 3g4y h VAL 142 N 0.75 1.28 -0.71 2.57 2.07 -1.34 -2.98 116.25 117.89 3g4y h VAL 142 Ca 0.06 -1.36 0.05 0.00 0.82 0.00 0.00 66.70 66.26 3g4y h VAL 142 Cb 0.97 1.31 -0.04 0.00 -1.52 0.00 0.00 31.29 32.01 3g4y h VAL 142 CO 0.09 0.46 0.47 1.56 0.02 0.00 0.00 177.57 180.17 3g4y h GLN 143 N 0.65 0.79 0.00 1.57 4.20 -1.13 -0.60 115.11 120.59 3g4y h GLN 143 Ca 0.08 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.75 3g4y h GLN 143 Cb 0.78 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.38 3g4y h GLN 143 CO 0.06 0.52 0.00 0.00 -0.67 0.00 0.00 178.83 178.75 3g4y h ALA 144 N 1.60 1.00 -0.02 3.87 0.00 -1.19 -2.30 119.26 122.22 3g4y h ALA 144 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3g4y h ALA 144 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3g4y h ALA 144 CO -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 179.25 178.86 3g4y n ALA 145 N -2.04 3.15 1.40 0.00 0.00 -0.25 -4.35 120.51 118.43 3g4y n ALA 145 Ca -0.01 -0.62 0.14 0.00 0.00 0.00 0.00 53.44 52.95 3g4y n ALA 145 Cb 0.19 -0.86 0.44 0.00 0.00 0.00 0.00 19.45 19.23 3g4y n ALA 145 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78