#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 1.27 -0.93 -3.33 2.07 -1.90 -2.44 116.25 110.99 3g4y h VAL 3 Ca 0.00 -1.36 0.01 0.00 0.82 0.00 0.00 66.70 66.17 3g4y h VAL 3 Cb 0.00 1.14 -0.05 0.00 -1.52 0.00 0.00 31.29 30.86 3g4y h VAL 3 CO 0.00 0.47 0.62 0.22 0.02 0.00 0.00 177.57 178.90 3g4y h TYR 4 N 0.81 1.17 -0.66 1.57 3.20 -1.95 -0.17 116.97 120.95 3g4y h TYR 4 Ca 0.11 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.97 3g4y h TYR 4 Cb 0.77 -0.40 -0.03 0.00 1.54 0.00 0.00 36.73 38.62 3g4y h TYR 4 CO 0.05 0.74 0.25 -0.44 -1.64 0.00 0.00 178.16 177.12 3g4y h ASP 5 N 1.26 0.91 0.12 -2.11 3.32 -1.92 0.35 116.42 118.36 3g4y h ASP 5 Ca 0.34 -0.18 -0.11 0.00 0.02 0.00 0.00 57.03 57.11 3g4y h ASP 5 Cb -0.14 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.16 3g4y h ASP 5 CO -0.08 0.84 -0.37 0.00 -1.72 0.00 0.00 179.24 177.92 3g4y h ALA 6 N 1.11 1.06 0.04 3.45 0.00 -0.94 -2.93 119.26 121.06 3g4y h ALA 6 Ca 0.22 -0.40 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 3g4y h ALA 6 Cb 0.22 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.92 3g4y h ALA 6 CO -0.02 0.59 -0.28 0.00 0.00 0.00 0.00 179.25 179.54 3g4y h ALA 7 N 1.31 -0.02 0.00 0.00 0.00 -0.73 -3.27 119.26 116.56 3g4y h ALA 7 Ca 0.03 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3g4y h ALA 7 Cb 0.79 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3g4y h ALA 7 CO 0.06 0.12 0.02 0.00 0.00 0.00 0.00 179.25 179.45 3g4y h ALA 8 N 0.09 1.01 0.00 0.00 0.00 -0.33 -1.33 119.26 118.70 3g4y h ALA 8 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3g4y h ALA 8 Cb 1.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3g4y h ALA 8 CO 0.05 -0.01 -0.55 -0.56 0.00 0.00 0.00 179.25 178.18 3g4y h GLN 9 N 0.00 0.00 -5.97 0.00 -0.00 -1.56 -3.45 115.11 104.13 3g4y h GLN 9 Ca 0.00 0.00 -0.57 0.00 -0.00 0.00 0.00 58.65 58.08 3g4y h GLN 9 Cb 0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 27.51 3g4y h GLN 9 CO 0.00 0.00 1.49 -0.51 -0.00 0.00 0.00 178.83 179.81 3g4y s LEU 10 N -4.37 3.43 0.79 0.06 1.43 -0.50 -4.94 118.68 114.58 3g4y s LEU 10 Ca 0.06 1.72 -0.12 0.00 -1.03 0.00 0.00 54.13 54.76 3g4y s LEU 10 Cb 0.13 -3.38 0.07 0.00 0.03 0.00 0.00 46.19 43.04 3g4y s LEU 10 CO 0.71 -2.07 1.15 0.42 0.23 0.00 0.00 176.35 176.79 3g4y s THR 11 N 8.71 2.41 0.37 5.49 -4.23 -1.26 -4.81 115.64 122.31 3g4y s THR 11 Ca 0.98 0.13 0.07 0.00 -1.18 0.00 0.00 61.69 61.69 3g4y s THR 11 Cb -0.30 -3.10 0.30 0.00 1.34 0.00 0.00 72.50 70.74 3g4y s THR 11 CO 0.34 -0.17 1.95 0.00 -0.54 0.00 0.00 174.62 176.20 3g4y h ALA 12 N -1.00 1.74 -0.27 3.99 0.00 -1.99 0.45 119.26 122.18 3g4y h ALA 12 Ca -0.46 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.25 3g4y h ALA 12 Cb 1.31 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3g4y h ALA 12 CO 0.65 0.14 -0.52 -0.44 0.00 0.00 0.00 179.25 179.08 3g4y h ASP 13 N 0.72 0.93 -0.43 0.00 3.32 -1.99 -1.75 116.42 117.21 3g4y h ASP 13 Ca 0.32 -0.54 -0.07 0.00 0.02 0.00 0.00 57.03 56.76 3g4y h ASP 13 Cb 0.31 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 3g4y h ASP 13 CO -0.11 1.29 -0.01 0.58 -1.72 0.00 0.00 179.24 179.27 3g4y h VAL 14 N 0.60 1.26 -0.37 -1.35 2.07 -1.72 -1.97 116.25 114.76 3g4y h VAL 14 Ca 0.01 -1.05 -0.05 0.00 0.82 0.00 0.00 66.70 66.44 3g4y h VAL 14 Cb 1.13 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.96 3g4y h VAL 14 CO 0.12 0.36 0.03 0.11 0.02 0.00 0.00 177.57 178.21 3g4y h LYS 15 N 0.61 0.57 -0.32 1.57 1.57 -0.92 -0.95 116.57 118.71 3g4y h LYS 15 Ca 0.12 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 3g4y h LYS 15 Cb 0.50 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 3g4y h LYS 15 CO 0.02 0.57 0.08 -0.22 -0.57 0.00 0.00 179.45 179.33 3g4y h LYS 16 N 0.55 0.51 -0.32 3.15 1.63 -0.98 -0.92 116.57 120.19 3g4y h LYS 16 Ca 0.12 -0.12 -0.09 0.00 -0.85 0.00 0.00 60.65 59.71 3g4y h LYS 16 Cb 0.30 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 31.85 3g4y h LYS 16 CO 0.01 0.57 -0.19 -0.44 -3.45 0.00 0.00 179.45 175.95 3g4y h ASP 17 N 0.35 0.58 -0.29 4.20 3.32 -1.03 -0.47 116.42 123.09 3g4y h ASP 17 Ca 0.10 -0.18 -0.04 0.00 0.02 0.00 0.00 57.03 56.92 3g4y h ASP 17 Cb 0.30 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 3g4y h ASP 17 CO 0.00 0.78 0.02 -0.07 -1.72 0.00 0.00 179.24 178.25 3g4y h LEU 18 N 0.52 0.48 -0.49 1.55 3.38 -0.97 -2.29 115.31 117.49 3g4y h LEU 18 Ca 0.08 -0.29 -0.13 0.00 0.09 0.00 0.00 57.88 57.64 3g4y h LEU 18 Cb 0.63 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 3g4y h LEU 18 CO 0.04 0.65 -0.19 0.03 0.09 0.00 0.00 178.44 179.06 3g4y h ARG 19 N 0.29 1.00 -0.72 1.13 3.08 -1.00 -1.26 114.38 116.90 3g4y h ARG 19 Ca 0.08 -0.42 -0.05 0.00 0.07 0.00 0.00 59.98 59.67 3g4y h ARG 19 Cb 0.39 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.37 3g4y h ARG 19 CO 0.01 1.09 0.25 -0.44 -1.07 0.00 0.00 179.97 179.82 3g4y h ASP 20 N 0.85 1.03 0.35 7.04 3.32 -1.06 -1.78 116.42 126.18 3g4y h ASP 20 Ca 0.11 -0.19 -0.22 0.00 0.02 0.00 0.00 57.03 56.75 3g4y h ASP 20 Cb 0.77 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.05 3g4y h ASP 20 CO 0.06 0.95 -0.92 0.77 -1.72 0.00 0.00 179.24 178.38 3g4y h SER 21 N 1.06 0.50 0.37 6.45 4.64 -1.38 -3.21 113.55 121.97 3g4y h SER 21 Ca 0.24 -0.40 -0.07 0.00 -0.47 0.00 0.00 61.79 61.09 3g4y h SER 21 Cb 0.27 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 3g4y h SER 21 CO -0.01 1.19 -0.35 -0.25 -0.87 0.00 0.00 176.83 176.54 3g4y h TRP 22 N 0.22 0.00 -0.84 4.77 2.91 -1.05 -1.29 115.95 120.67 3g4y h TRP 22 Ca -0.07 0.00 0.09 0.00 1.13 0.00 0.00 58.89 60.04 3g4y h TRP 22 Cb 1.55 0.00 -0.06 0.00 -0.51 0.00 0.00 29.16 30.14 3g4y h TRP 22 CO 0.06 0.35 0.55 0.87 -1.03 0.00 0.00 178.44 179.23 3g4y h LYS 23 N 0.00 0.81 0.00 2.65 1.57 -1.33 0.45 116.57 120.73 3g4y h LYS 23 Ca -0.00 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 3g4y h LYS 23 Cb 0.63 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 3g4y h LYS 23 CO 0.05 0.54 -0.41 0.28 -0.57 0.00 0.00 179.45 179.33 3g4y h VAL 24 N 0.83 0.31 -0.38 0.50 2.07 -1.58 -3.30 116.25 114.70 3g4y h VAL 24 Ca 0.38 -1.31 -0.07 0.00 0.82 0.00 0.00 66.70 66.52 3g4y h VAL 24 Cb 0.38 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 3g4y h VAL 24 CO -0.15 0.11 -0.07 0.40 0.02 0.00 0.00 177.57 177.87 3g4y h ILE 25 N -1.00 1.24 0.00 4.57 1.08 -1.24 -2.50 117.51 119.66 3g4y h ILE 25 Ca -0.05 -1.02 0.00 0.00 -0.39 0.00 0.00 64.86 63.40 3g4y h ILE 25 Cb 0.51 1.03 0.00 0.00 -3.07 0.00 0.00 36.82 35.29 3g4y h ILE 25 CO -0.03 0.35 0.00 0.61 -0.69 0.00 0.00 178.15 178.38 3g4y n GLY 26 N -0.62 -1.14 0.08 5.37 0.00 0.16 -3.10 105.19 105.93 3g4y n GLY 26 Ca 0.01 -0.13 0.13 0.00 0.00 0.00 0.00 46.02 46.04 3g4y n GLY 26 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3g4y n SER 27 N -1.27 0.60 -3.40 1.61 3.41 -0.94 -3.99 113.62 109.65 3g4y n SER 27 Ca 0.13 0.56 -0.26 0.00 -0.26 0.00 0.00 58.87 59.04 3g4y n SER 27 Cb 0.20 -0.72 -0.09 0.00 -0.26 0.00 0.00 64.21 63.34 3g4y n SER 27 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3g4y n ASP 28 N -2.07 0.71 -0.27 4.04 2.03 -1.18 -4.98 116.55 114.83 3g4y n ASP 28 Ca 0.06 -2.72 -0.06 0.00 0.52 0.00 0.00 54.79 52.59 3g4y n ASP 28 Cb 0.40 -0.62 0.06 0.00 -0.72 0.00 0.00 41.12 40.23 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 4.89 1.12 -0.01 -0.67 1.57 -1.75 -0.79 116.57 120.94 3g4y h LYS 29 Ca 0.18 -0.21 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3g4y h LYS 29 Cb 0.85 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.98 3g4y h LYS 29 CO 0.50 0.92 -0.00 -0.22 -0.57 0.00 0.00 179.45 180.08 3g4y h LYS 30 N 1.08 0.03 -0.09 3.15 3.64 -1.92 0.78 116.57 123.23 3g4y h LYS 30 Ca 0.25 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.61 3g4y h LYS 30 Cb 0.22 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.04 3g4y h LYS 30 CO -0.02 0.37 0.03 0.78 -2.27 0.00 0.00 179.45 178.35 3g4y h GLY 31 N -0.32 0.15 2.00 5.01 0.00 -1.96 -2.35 103.07 105.59 3g4y h GLY 31 Ca 0.00 -0.08 -0.07 0.00 0.00 0.00 0.00 47.33 47.18 3g4y h GLY 31 CO 0.00 0.08 -0.36 3.43 0.00 0.00 0.00 176.54 179.69 3g4y h ASN 32 N -0.02 0.00 -0.16 0.19 2.35 -1.22 -2.47 115.58 114.26 3g4y h ASN 32 Ca 0.03 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.68 3g4y h ASN 32 Cb 0.18 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.55 3g4y h ASN 32 CO -0.00 0.36 -0.29 1.23 -1.65 0.00 0.00 177.43 177.07 3g4y h GLY 33 N 3.35 0.52 1.46 2.83 0.00 -0.81 -1.59 103.07 108.83 3g4y h GLY 33 Ca -0.00 -0.61 -0.11 0.00 0.00 0.00 0.00 47.33 46.61 3g4y h GLY 33 CO 0.05 0.55 -0.26 -2.08 0.00 0.00 0.00 176.54 174.80 3g4y h VAL 34 N 0.10 1.27 -0.67 4.60 2.07 -1.46 -2.39 116.25 119.77 3g4y h VAL 34 Ca 0.01 -1.34 -0.02 0.00 0.82 0.00 0.00 66.70 66.17 3g4y h VAL 34 Cb 0.88 1.31 -0.03 0.00 -1.52 0.00 0.00 31.29 31.93 3g4y h VAL 34 CO 0.07 0.43 0.35 0.00 0.02 0.00 0.00 177.57 178.44 3g4y h ALA 35 N 1.18 0.86 -0.29 1.67 0.00 -1.39 -0.09 119.26 121.19 3g4y h ALA 35 Ca 0.07 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3g4y h ALA 35 Cb 0.73 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3g4y h ALA 35 CO 0.06 0.39 0.17 1.25 0.00 0.00 0.00 179.25 181.12 3g4y h LEU 36 N 0.92 0.36 -0.33 0.00 5.85 -1.01 -1.46 115.31 119.64 3g4y h LEU 36 Ca 0.23 -0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.81 3g4y h LEU 36 Cb 0.07 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 3g4y h LEU 36 CO -0.03 0.33 -0.05 0.24 -0.34 0.00 0.00 178.44 178.59 3g4y h MET 37 N 0.36 0.62 -0.25 1.25 2.86 -1.16 -1.58 114.93 117.03 3g4y h MET 37 Ca 0.10 -0.22 -0.04 0.00 -2.06 0.00 0.00 59.70 57.48 3g4y h MET 37 Cb 0.05 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 3g4y h MET 37 CO -0.02 0.78 -0.04 1.79 1.06 0.00 0.00 176.91 180.48 3g4y h THR 38 N 0.41 1.18 -0.18 2.22 1.35 -0.97 -1.29 112.91 115.63 3g4y h THR 38 Ca 0.09 -0.72 -0.17 0.00 -0.55 0.00 0.00 66.41 65.05 3g4y h THR 38 Cb 0.53 1.04 -0.00 0.00 -1.73 0.00 0.00 68.15 67.98 3g4y h THR 38 CO 0.03 0.24 -0.60 0.74 -0.25 0.00 0.00 175.52 175.67 3g4y h THR 39 N 0.37 1.32 -0.48 6.82 2.02 -1.10 -1.50 112.91 120.36 3g4y h THR 39 Ca 0.08 -1.87 -0.02 0.00 0.77 0.00 0.00 66.41 65.37 3g4y h THR 39 Cb 0.31 1.83 -0.02 0.00 -1.74 0.00 0.00 68.15 68.54 3g4y h THR 39 CO 0.01 0.58 0.20 0.25 0.37 0.00 0.00 175.52 176.93 3g4y h LEU 40 N 0.44 0.65 -1.10 2.58 5.85 -0.64 -1.61 115.31 121.48 3g4y h LEU 40 Ca -0.00 -0.16 -0.09 0.00 0.84 0.00 0.00 57.88 58.47 3g4y h LEU 40 Cb 1.17 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.02 3g4y h LEU 40 CO 0.12 0.63 -0.44 -0.26 -0.34 0.00 0.00 178.44 178.15 3g4y h PHE 41 N 0.63 0.00 -0.01 1.25 0.04 -1.16 0.76 116.94 118.43 3g4y h PHE 41 Ca 0.16 0.00 -0.24 0.00 2.80 0.00 0.00 57.97 60.69 3g4y h PHE 41 Cb 0.18 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.34 3g4y h PHE 41 CO 0.00 0.44 -0.94 0.00 -0.60 0.00 0.00 178.31 177.20 3g4y h ALA 42 N 1.56 0.13 0.00 2.45 0.00 -1.00 -3.19 119.26 119.22 3g4y h ALA 42 Ca -0.00 -0.67 -0.03 0.00 0.00 0.00 0.00 54.91 54.21 3g4y h ALA 42 Cb 0.80 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 3g4y h ALA 42 CO 0.06 0.62 -1.19 -0.25 0.00 0.00 0.00 179.25 178.49 3g4y n ASP 43 N -3.93 0.76 -3.27 0.00 8.00 -0.63 -4.50 116.55 112.98 3g4y n ASP 43 Ca -0.11 0.30 -0.25 0.00 0.71 0.00 0.00 54.79 55.45 3g4y n ASP 43 Cb 0.83 0.55 -0.07 0.00 -0.02 0.00 0.00 41.12 42.41 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 -2.68 1.62 0.25 -2.24 4.13 0.25 -4.95 115.26 111.64 3g4y n ASN 44 Ca -0.02 -3.01 0.18 0.00 1.68 0.00 0.00 54.58 53.41 3g4y n ASN 44 Cb 0.61 -0.65 0.88 0.00 -1.54 0.00 0.00 39.78 39.08 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 3.99 0.00 0.00 3.52 7.50 -1.74 -1.40 115.11 126.97 3g4y h GLN 45 Ca 0.12 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.27 3g4y h GLN 45 Cb 0.79 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.32 3g4y h GLN 45 CO 0.61 0.00 0.00 -0.85 -1.50 0.00 0.00 178.83 177.09 3g4y n GLU 46 N -3.44 0.14 0.01 1.46 0.00 -1.26 -2.26 120.64 115.28 3g4y n GLU 46 Ca 0.01 0.42 0.12 0.00 0.00 0.00 0.00 57.16 57.70 3g4y n GLU 46 Cb 0.34 -1.79 0.19 0.00 0.00 0.00 0.00 31.44 30.18 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 -2.05 0.05 -0.28 3.84 -2.24 -0.53 -4.27 114.28 108.81 3g4y n THR 47 Ca 0.02 -0.05 0.03 0.00 -2.27 0.00 0.00 64.05 61.78 3g4y n THR 47 Cb 0.18 0.26 0.16 0.00 -2.10 0.00 0.00 70.33 68.83 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 0.87 -0.48 2.28 2.04 -1.62 -2.20 117.51 118.41 3g4y h ILE 48 Ca 0.00 -0.24 0.13 0.00 1.00 0.00 0.00 64.86 65.74 3g4y h ILE 48 Cb 0.55 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 3g4y h ILE 48 CO 0.00 0.13 0.34 1.23 0.00 0.00 0.00 178.15 179.85 3g4y h GLY 49 N 0.71 0.09 2.00 5.37 0.00 -1.80 -1.42 103.07 108.03 3g4y h GLY 49 Ca 0.39 -0.02 -0.03 0.00 0.00 0.00 0.00 47.33 47.66 3g4y h GLY 49 CO -0.26 0.01 -0.14 -0.97 0.00 0.00 0.00 176.54 175.17 3g4y h TYR 50 N 0.06 0.00 -0.92 5.60 0.05 -1.68 -3.11 116.97 116.97 3g4y h TYR 50 Ca 0.23 0.00 -0.51 0.00 0.05 0.00 0.00 58.73 58.49 3g4y h TYR 50 Cb 0.83 0.00 -0.29 0.00 1.01 0.00 0.00 36.73 38.28 3g4y h TYR 50 CO -0.00 0.14 0.59 1.19 -1.05 0.00 0.00 178.16 179.03 3g4y n PHE 51 N -3.64 2.88 0.12 4.88 3.72 -0.53 -4.67 117.46 120.21 3g4y n PHE 51 Ca -0.02 -2.06 0.17 0.00 -0.05 0.00 0.00 57.45 55.50 3g4y n PHE 51 Cb 0.27 -0.98 0.73 0.00 -0.94 0.00 0.00 39.48 38.55 3g4y n PHE 51 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 3g4y h LYS 52 N 1.21 0.00 0.00 -1.08 2.10 -1.67 -0.83 116.57 116.31 3g4y h LYS 52 Ca 0.58 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 59.21 3g4y h LYS 52 Cb 2.32 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 33.65 3g4y h LYS 52 CO 1.11 0.00 -0.13 -0.09 -2.00 0.00 0.00 179.45 178.35 3g4y h ARG 53 N 0.00 0.00 0.00 0.07 2.43 -1.90 -2.41 114.38 112.57 3g4y h ARG 53 Ca 0.15 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 3g4y h ARG 53 Cb 0.65 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.20 3g4y h ARG 53 CO -0.00 0.13 0.00 1.28 -1.51 0.00 0.00 179.97 179.86 3g4y n LEU 54 N -3.87 0.00 0.00 3.80 4.77 -0.32 -5.02 117.00 116.36 3g4y n LEU 54 Ca -0.02 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 3g4y n LEU 54 Cb 0.22 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 3g4y n LEU 54 CO 0.32 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 3g4y n GLY 55 N 1.25 0.06 3.55 -0.72 0.00 -0.91 -4.42 105.19 103.99 3g4y n GLY 55 Ca 0.16 -1.00 -0.41 0.00 0.00 0.00 0.00 46.02 44.76 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 6.24 0.00 1.61 -1.08 -1.26 -4.84 116.67 113.34 3g4y s ASP 56 Ca 0.00 -0.71 0.14 0.00 -0.52 0.00 0.00 52.55 51.47 3g4y s ASP 56 Cb 0.00 -2.56 0.68 0.00 -1.46 0.00 0.00 42.92 39.57 3g4y s ASP 56 CO 0.00 -1.76 1.42 1.33 0.52 0.00 0.00 175.17 176.68 3g4y n VAL 57 N 6.52 0.79 0.81 1.11 0.24 -1.26 -2.08 118.33 124.46 3g4y n VAL 57 Ca 0.11 0.20 0.12 0.00 -2.04 0.00 0.00 64.34 62.72 3g4y n VAL 57 Cb 0.50 -0.95 0.51 0.00 -1.47 0.00 0.00 33.84 32.42 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 -1.38 0.05 0.13 -1.34 3.41 -1.26 -2.78 113.62 110.45 3g4y n SER 58 Ca 0.05 0.51 0.13 0.00 -0.26 0.00 0.00 58.87 59.30 3g4y n SER 58 Cb 0.14 -0.52 0.46 0.00 -0.26 0.00 0.00 64.21 64.03 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 -1.55 0.24 0.00 4.33 1.13 -0.88 -4.97 117.38 115.67 3g4y n GLN 59 Ca 0.06 0.35 0.00 0.00 -1.94 0.00 0.00 57.00 55.47 3g4y n GLN 59 Cb 0.29 -1.87 0.00 0.00 0.11 0.00 0.00 30.24 28.77 3g4y n GLN 59 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3g4y n GLY 60 N 0.51 3.27 0.38 1.08 0.00 -1.12 -2.64 105.19 106.67 3g4y n GLY 60 Ca 0.03 -0.20 0.18 0.00 0.00 0.00 0.00 46.02 46.04 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 0.14 0.00 1.61 1.85 -1.93 -1.56 114.93 115.05 3g4y h MET 61 Ca 0.00 -0.01 -0.03 0.00 -0.61 0.00 0.00 59.70 59.05 3g4y h MET 61 Cb 0.00 -0.03 -0.00 0.00 0.43 0.00 0.00 31.60 31.99 3g4y h MET 61 CO 0.00 0.09 -0.15 0.00 -0.40 0.00 0.00 176.91 176.46 3g4y h ALA 62 N 1.71 1.14 -1.63 0.39 0.00 -1.93 -3.41 119.26 115.54 3g4y h ALA 62 Ca 0.28 -0.13 -0.55 0.00 0.00 0.00 0.00 54.91 54.50 3g4y h ALA 62 Cb 0.90 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.60 3g4y h ALA 62 CO -0.04 0.18 1.04 1.21 0.00 0.00 0.00 179.25 181.64 3g4y s ASN 63 N -6.08 6.32 0.31 0.00 3.84 -0.59 -4.90 114.94 113.84 3g4y s ASN 63 Ca -0.01 0.31 -0.01 0.00 0.21 0.00 0.00 52.86 53.36 3g4y s ASN 63 Cb 0.12 -2.55 0.50 0.00 -0.55 0.00 0.00 41.25 38.77 3g4y s ASN 63 CO 0.59 -1.55 1.97 -2.24 -2.79 0.00 0.00 177.10 173.09 3g4y h ASP 64 N 10.31 0.87 -0.44 -4.21 2.03 -1.86 -0.18 116.42 122.94 3g4y h ASP 64 Ca -0.26 -0.03 -0.12 0.00 -0.73 0.00 0.00 57.03 55.89 3g4y h ASP 64 Cb 1.08 -0.22 -0.02 0.00 -0.83 0.00 0.00 39.33 39.34 3g4y h ASP 64 CO 1.16 0.64 -0.18 0.11 -1.03 0.00 0.00 179.24 179.95 3g4y h LYS 65 N 1.02 0.94 -0.41 4.15 1.57 -1.90 0.39 116.57 122.33 3g4y h LYS 65 Ca 0.27 -0.37 -0.14 0.00 -1.87 0.00 0.00 60.65 58.54 3g4y h LYS 65 Cb -0.09 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 3g4y h LYS 65 CO -0.06 1.03 -0.31 1.25 -0.57 0.00 0.00 179.45 180.80 3g4y h LEU 66 N 0.82 0.97 -0.35 2.94 5.85 -1.67 -1.51 115.31 122.36 3g4y h LEU 66 Ca 0.12 -0.41 -0.03 0.00 0.84 0.00 0.00 57.88 58.40 3g4y h LEU 66 Cb 0.73 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 3g4y h LEU 66 CO 0.06 1.19 0.09 -0.09 -0.34 0.00 0.00 178.44 179.35 3g4y h ARG 67 N 0.77 0.55 -0.80 1.25 2.43 -0.82 0.88 114.38 118.65 3g4y h ARG 67 Ca 0.08 -0.13 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 3g4y h ARG 67 Cb 0.89 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 30.33 3g4y h ARG 67 CO 0.08 0.59 0.43 0.78 -1.51 0.00 0.00 179.97 180.34 3g4y h GLY 68 N 0.41 1.20 0.81 2.80 0.00 -0.83 -1.43 103.07 106.03 3g4y h GLY 68 Ca 0.11 -0.55 -0.02 0.00 0.00 0.00 0.00 47.33 46.87 3g4y h GLY 68 CO -0.00 0.53 0.02 0.84 0.00 0.00 0.00 176.54 177.93 3g4y h HIS 69 N 1.11 0.26 -0.76 5.60 -0.00 -1.05 -2.51 115.15 117.81 3g4y h HIS 69 Ca 0.28 -0.04 -0.01 0.00 -0.00 0.00 0.00 60.37 60.60 3g4y h HIS 69 Cb 0.04 -0.07 -0.04 0.00 -0.00 0.00 0.00 27.41 27.35 3g4y h HIS 69 CO 0.00 0.43 0.44 0.77 -0.00 0.00 0.00 177.93 179.58 3g4y h SER 70 N 0.02 0.92 -0.41 3.26 0.02 -0.60 -0.26 113.55 116.50 3g4y h SER 70 Ca 0.04 -0.08 -0.07 0.00 -0.84 0.00 0.00 61.79 60.85 3g4y h SER 70 Cb 0.31 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 3g4y h SER 70 CO 0.00 0.73 -0.01 0.40 -1.14 0.00 0.00 176.83 176.81 3g4y h ILE 71 N 1.04 1.26 -0.53 3.27 2.04 -1.29 -2.85 117.51 120.46 3g4y h ILE 71 Ca 0.27 -1.03 -0.04 0.00 1.00 0.00 0.00 64.86 65.05 3g4y h ILE 71 Cb -0.01 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 3g4y h ILE 71 CO -0.05 0.35 0.15 0.74 0.00 0.00 0.00 178.15 179.34 3g4y h THR 72 N 0.55 1.21 -0.63 -0.27 2.02 -1.12 -2.14 112.91 112.54 3g4y h THR 72 Ca 0.11 -0.74 -0.02 0.00 0.77 0.00 0.00 66.41 66.54 3g4y h THR 72 Cb 0.49 0.65 -0.03 0.00 -1.74 0.00 0.00 68.15 67.52 3g4y h THR 72 CO 0.02 0.28 0.32 0.25 0.37 0.00 0.00 175.52 176.76 3g4y h LEU 73 N 0.77 0.78 -1.60 2.58 6.46 -0.90 -1.66 115.31 121.74 3g4y h LEU 73 Ca 0.17 -0.07 -0.03 0.00 -0.12 0.00 0.00 57.88 57.83 3g4y h LEU 73 Cb 0.25 -0.20 -0.00 0.00 -0.73 0.00 0.00 40.66 39.97 3g4y h LEU 73 CO -0.01 0.65 -0.16 0.24 -0.62 0.00 0.00 178.44 178.54 3g4y h MET 74 N 0.88 0.00 0.00 1.25 2.86 -1.16 -1.75 114.93 117.01 3g4y h MET 74 Ca 0.22 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.85 3g4y h MET 74 Cb 0.06 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.72 3g4y h MET 74 CO -0.03 0.16 -0.17 1.88 1.06 0.00 0.00 176.91 179.81 3g4y h TYR 75 N 0.00 0.00 -0.31 -0.22 0.05 -1.17 -1.00 116.97 114.33 3g4y h TYR 75 Ca -0.00 0.00 -0.15 0.00 0.05 0.00 0.00 58.73 58.63 3g4y h TYR 75 Cb 0.50 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.24 3g4y h TYR 75 CO 0.00 0.04 -0.39 0.00 -1.05 0.00 0.00 178.16 176.76 3g4y h ALA 76 N 1.96 0.46 -0.25 3.88 0.00 -1.01 -0.81 119.26 123.50 3g4y h ALA 76 Ca -0.00 -0.45 -0.14 0.00 0.00 0.00 0.00 54.91 54.32 3g4y h ALA 76 Cb 1.03 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 3g4y h ALA 76 CO 0.00 0.56 -0.43 -0.07 0.00 0.00 0.00 179.25 179.31 3g4y h LEU 77 N 0.58 0.67 -0.89 0.00 3.38 -1.36 -2.00 115.31 115.69 3g4y h LEU 77 Ca 0.04 -0.31 0.02 0.00 0.09 0.00 0.00 57.88 57.71 3g4y h LEU 77 Cb 0.98 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.49 3g4y h LEU 77 CO 0.09 1.01 0.59 -0.61 0.09 0.00 0.00 178.44 179.61 3g4y h GLN 78 N 0.51 1.15 0.08 1.13 5.75 -0.98 -0.45 115.11 122.29 3g4y h GLN 78 Ca 0.04 -0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.47 3g4y h GLN 78 Cb 0.96 -0.26 -0.01 0.00 1.07 0.00 0.00 27.48 29.24 3g4y h GLN 78 CO 0.09 0.76 -0.08 -0.97 -2.65 0.00 0.00 178.83 175.98 3g4y h ASN 79 N 1.18 -0.21 -0.22 -0.69 -0.73 -0.81 -1.12 115.58 112.97 3g4y h ASN 79 Ca 0.33 0.02 0.04 0.00 1.87 0.00 0.00 56.30 58.56 3g4y h ASN 79 Cb -0.10 0.08 -0.03 0.00 0.27 0.00 0.00 38.32 38.53 3g4y h ASN 79 CO -0.08 -0.13 -0.00 -0.26 -0.37 0.00 0.00 177.43 176.59 3g4y h PHE 80 N -0.18 -0.01 -0.88 0.67 0.04 -0.71 -2.27 116.94 113.60 3g4y h PHE 80 Ca 0.01 0.02 0.03 0.00 2.80 0.00 0.00 57.97 60.83 3g4y h PHE 80 Cb 0.18 0.04 -0.05 0.00 2.20 0.00 0.00 35.95 38.31 3g4y h PHE 80 CO -0.11 -0.03 0.57 0.82 -0.60 0.00 0.00 178.31 178.95 3g4y h ILE 81 N 0.07 1.15 0.00 -0.55 1.08 -0.91 -2.08 117.51 116.26 3g4y h ILE 81 Ca 0.10 -0.38 -0.03 0.00 -0.39 0.00 0.00 64.86 64.16 3g4y h ILE 81 Cb 0.13 -0.06 -0.00 0.00 -3.07 0.00 0.00 36.82 33.82 3g4y h ILE 81 CO -0.17 0.20 -0.16 0.44 -0.69 0.00 0.00 178.15 177.77 3g4y h ASP 82 N 1.11 0.00 -0.19 1.72 3.32 -0.77 -2.93 116.42 118.67 3g4y h ASP 82 Ca 0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.40 3g4y h ASP 82 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3g4y h ASP 82 CO -0.12 0.16 0.00 0.00 -1.72 0.00 0.00 179.24 177.56 3g4y n GLN 83 N -3.50 2.08 -0.31 3.56 1.13 -0.80 -4.58 117.38 114.95 3g4y n GLN 83 Ca -0.01 -1.61 0.18 0.00 -1.94 0.00 0.00 57.00 53.62 3g4y n GLN 83 Cb 0.32 -1.46 0.43 0.00 0.11 0.00 0.00 30.24 29.64 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 3.40 0.58 -0.24 1.08 3.38 -1.31 -1.63 115.31 120.56 3g4y h LEU 84 Ca 0.00 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3g4y h LEU 84 Cb 0.74 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.46 3g4y h LEU 84 CO 0.00 0.19 -0.00 0.47 0.09 0.00 0.00 178.44 179.19 3g4y n ASP 85 N -4.65 0.37 -3.60 -0.43 8.00 -1.26 -4.41 116.55 110.58 3g4y n ASP 85 Ca 0.23 -1.10 -0.29 0.00 0.71 0.00 0.00 54.79 54.34 3g4y n ASP 85 Cb 0.69 -0.01 -0.12 0.00 -0.02 0.00 0.00 41.12 41.66 3g4y n ASP 85 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3g4y s ASN 86 N -2.02 3.25 0.39 -2.24 3.84 -0.61 -5.00 114.94 112.56 3g4y s ASN 86 Ca 0.45 -2.53 0.19 0.00 0.21 0.00 0.00 52.86 51.18 3g4y s ASN 86 Cb 0.22 -0.76 1.13 0.00 -0.55 0.00 0.00 41.25 41.28 3g4y s ASN 86 CO 0.37 -0.27 1.74 -0.65 -2.79 0.00 0.00 177.10 175.50 3g4y h PRO 87 N 6.71 0.36 -0.70 0.43 0.11 -1.77 0.14 132.00 137.29 3g4y h PRO 87 Ca 0.04 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.12 3g4y h PRO 87 Cb 0.94 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 31.93 3g4y h PRO 87 CO 0.40 0.24 0.41 -0.44 -0.21 0.00 0.00 178.00 178.39 3g4y h ASP 88 N 0.37 0.85 -0.06 -2.05 3.32 -1.94 0.10 116.42 117.01 3g4y h ASP 88 Ca 0.64 -0.08 -0.24 0.00 0.02 0.00 0.00 57.03 57.36 3g4y h ASP 88 Cb 1.63 -0.22 0.02 0.00 0.22 0.00 0.00 39.33 40.98 3g4y h ASP 88 CO -0.34 0.68 -0.91 0.44 -1.72 0.00 0.00 179.24 177.38 3g4y h ASP 89 N 0.95 0.92 -0.47 6.45 3.32 -1.35 -2.88 116.42 123.36 3g4y h ASP 89 Ca 0.25 -0.67 0.02 0.00 0.02 0.00 0.00 57.03 56.65 3g4y h ASP 89 Cb -0.00 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.24 3g4y h ASP 89 CO -0.04 1.47 0.28 0.25 -1.72 0.00 0.00 179.24 179.47 3g4y h LEU 90 N 0.46 0.46 -0.48 1.55 5.85 -0.91 -2.37 115.31 119.86 3g4y h LEU 90 Ca -0.09 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.64 3g4y h LEU 90 Cb 1.55 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 42.46 3g4y h LEU 90 CO 0.18 0.33 0.31 0.58 -0.34 0.00 0.00 178.44 179.50 3g4y h VAL 91 N 0.56 1.10 0.00 1.05 2.07 -0.81 -0.63 116.25 119.60 3g4y h VAL 91 Ca 0.19 -0.22 -0.08 0.00 0.82 0.00 0.00 66.70 67.41 3g4y h VAL 91 Cb 0.01 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.18 3g4y h VAL 91 CO -0.08 0.12 -0.36 0.00 0.02 0.00 0.00 177.57 177.27 3g4y h VAL 93 N 0.00 1.52 -0.56 0.00 -1.51 -1.16 -2.83 116.25 111.72 3g4y h VAL 93 Ca -0.00 -3.15 -0.10 0.00 -1.23 0.00 0.00 66.70 62.23 3g4y h VAL 93 Cb 0.70 2.89 -0.02 0.00 -2.13 0.00 0.00 31.29 32.73 3g4y h VAL 93 CO 0.05 0.90 -0.03 0.58 -1.23 0.00 0.00 177.57 177.84 3g4y h VAL 94 N 0.05 1.27 -0.17 7.19 2.07 -0.86 -2.20 116.25 123.60 3g4y h VAL 94 Ca -0.11 -1.16 -0.08 0.00 0.82 0.00 0.00 66.70 66.17 3g4y h VAL 94 Cb 1.92 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 32.57 3g4y h VAL 94 CO 0.18 0.41 -0.26 -0.33 0.02 0.00 0.00 177.57 177.59 3g4y h GLU 95 N 0.88 0.31 -0.05 1.57 5.08 -1.17 0.23 114.58 121.43 3g4y h GLU 95 Ca 0.15 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3g4y h GLU 95 Cb 0.58 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.80 3g4y h GLU 95 CO 0.03 0.56 0.02 -0.22 -1.00 0.00 0.00 179.01 178.40 3g4y h LYS 96 N 0.28 0.08 0.00 2.33 3.11 -1.23 -2.35 116.57 118.80 3g4y h LYS 96 Ca 0.04 -0.02 -0.06 0.00 -2.81 0.00 0.00 60.65 57.80 3g4y h LYS 96 Cb 0.62 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.82 3g4y h LYS 96 CO 0.04 0.25 -0.31 0.74 -2.81 0.00 0.00 179.45 177.37 3g4y h PHE 97 N -0.10 0.00 -0.62 1.91 0.04 -1.17 -2.73 116.94 114.27 3g4y h PHE 97 Ca 0.02 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.75 3g4y h PHE 97 Cb 0.20 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.32 3g4y h PHE 97 CO -0.01 0.31 0.22 0.00 -0.60 0.00 0.00 178.31 178.23 3g4y h ALA 98 N 1.69 0.81 -0.93 2.45 0.00 -0.64 -2.58 119.26 120.06 3g4y h ALA 98 Ca -0.00 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.73 3g4y h ALA 98 Cb 0.69 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 3g4y h ALA 98 CO 0.04 0.45 0.62 0.28 0.00 0.00 0.00 179.25 180.64 3g4y h VAL 99 N 0.88 1.23 -0.22 0.00 2.07 -1.11 0.18 116.25 119.27 3g4y h VAL 99 Ca 0.20 -0.43 0.04 0.00 0.82 0.00 0.00 66.70 67.33 3g4y h VAL 99 Cb 0.25 -0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 29.87 3g4y h VAL 99 CO -0.01 0.23 0.15 0.78 0.02 0.00 0.00 177.57 178.74 3g4y h ASN 100 N 1.25 0.13 0.36 0.57 -0.26 -1.39 -1.74 115.58 114.50 3g4y h ASN 100 Ca 0.35 -0.00 -0.28 0.00 -0.56 0.00 0.00 56.30 55.81 3g4y h ASN 100 Cb -0.12 -0.03 -0.05 0.00 -1.06 0.00 0.00 38.32 37.06 3g4y h ASN 100 CO -0.08 0.09 -1.87 1.41 -1.06 0.00 0.00 177.43 175.92 3g4y n HIS 101 N -4.49 0.64 -0.13 1.19 8.25 -0.48 -3.99 115.22 116.20 3g4y n HIS 101 Ca 0.02 0.23 -0.05 0.00 -0.26 0.00 0.00 57.72 57.65 3g4y n HIS 101 Cb 0.19 -1.08 0.14 0.00 1.12 0.00 0.00 29.99 30.37 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 1.25 0.00 1.59 2.04 -0.33 -1.54 117.51 120.51 3g4y h ILE 102 Ca -0.33 -1.01 -0.02 0.00 1.00 0.00 0.00 64.86 64.50 3g4y h ILE 102 Cb 1.95 0.85 -0.00 0.00 -0.74 0.00 0.00 36.82 38.87 3g4y h ILE 102 CO 0.05 0.36 -0.07 0.71 0.00 0.00 0.00 178.15 179.20 3g4y h THR 103 N 0.78 0.35 -0.53 -0.27 1.35 -1.47 -0.91 112.91 112.21 3g4y h THR 103 Ca 0.15 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 3g4y h THR 103 Cb 0.46 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 68.18 3g4y h THR 103 CO 0.02 0.07 0.00 0.54 -0.25 0.00 0.00 175.52 175.90 3g4y n ARG 104 N -3.43 2.41 -3.39 4.72 3.00 -0.70 -4.95 116.66 114.31 3g4y n ARG 104 Ca -0.02 -2.17 -0.21 0.00 -0.01 0.00 0.00 57.85 55.44 3g4y n ARG 104 Cb 0.22 -1.49 0.07 0.00 0.00 0.00 0.00 32.46 31.26 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 1.29 -6.73 -3.24 5.56 4.76 -0.35 -4.97 118.16 114.49 3g4y n LYS 105 Ca 0.20 0.77 -0.41 0.00 -2.87 0.00 0.00 58.31 56.00 3g4y n LYS 105 Cb 0.53 -5.56 -0.08 0.00 -1.84 0.00 0.00 35.03 28.08 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 -3.26 5.03 0.78 -0.18 -1.09 -0.66 -5.03 121.20 116.78 3g4y s ILE 106 Ca 0.49 0.55 -0.12 0.00 -2.23 0.00 0.00 60.65 59.34 3g4y s ILE 106 Cb -0.21 -3.92 0.06 0.00 -1.58 0.00 0.00 42.46 36.81 3g4y s ILE 106 CO 0.60 -0.11 1.13 -0.94 -1.23 0.00 0.00 174.94 174.39 3g4y s SER 107 N 1.69 4.74 0.30 3.58 1.04 -1.26 -4.57 113.70 119.22 3g4y s SER 107 Ca 0.20 1.05 -0.01 0.00 0.48 0.00 0.00 55.95 57.66 3g4y s SER 107 Cb -0.15 -1.72 0.45 0.00 0.10 0.00 0.00 66.02 64.70 3g4y s SER 107 CO 0.12 -1.78 1.93 0.00 0.98 0.00 0.00 173.24 174.49 3g4y h ALA 108 N -0.96 1.37 -0.45 5.32 0.00 -1.88 -0.62 119.26 122.04 3g4y h ALA 108 Ca -0.46 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.27 3g4y h ALA 108 Cb 1.29 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 3g4y h ALA 108 CO 0.63 0.53 -0.05 0.00 0.00 0.00 0.00 179.25 180.36 3g4y h ALA 109 N 1.46 0.61 -0.32 0.00 0.00 -1.95 -2.47 119.26 116.58 3g4y h ALA 109 Ca 0.26 -0.30 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 3g4y h ALA 109 Cb -0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3g4y h ALA 109 CO -0.05 0.45 -0.29 0.93 0.00 0.00 0.00 179.25 180.30 3g4y h GLU 110 N 0.67 0.67 -0.52 0.00 5.08 -1.82 -2.65 114.58 116.01 3g4y h GLU 110 Ca 0.12 -0.29 -0.03 0.00 -1.00 0.00 0.00 59.36 58.16 3g4y h GLU 110 Cb 0.57 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 3g4y h GLU 110 CO 0.03 0.88 0.21 0.35 -1.00 0.00 0.00 179.01 179.49 3g4y h PHE 111 N 0.58 0.73 0.00 4.33 3.04 -1.01 -1.64 116.94 122.97 3g4y h PHE 111 Ca 0.07 -0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.99 3g4y h PHE 111 Cb 0.79 -0.23 0.00 0.00 2.56 0.00 0.00 35.95 39.07 3g4y h PHE 111 CO 0.04 0.56 0.00 0.41 -2.02 0.00 0.00 178.31 177.30 3g4y n GLY 112 N -1.12 -0.75 0.20 2.40 0.00 -0.94 -2.28 105.19 102.71 3g4y n GLY 112 Ca 0.04 -0.03 0.15 0.00 0.00 0.00 0.00 46.02 46.18 3g4y n GLY 112 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3g4y h LYS 113 N 0.00 0.00 0.00 1.61 1.57 -1.33 -2.31 116.57 116.11 3g4y h LYS 113 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3g4y h LYS 113 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 3g4y h LYS 113 CO 0.00 0.00 0.00 0.97 -0.57 0.00 0.00 179.45 179.85 3g4y h ILE 114 N 0.00 0.00 -0.69 1.86 6.09 -1.66 -3.15 117.51 119.96 3g4y h ILE 114 Ca 0.00 -0.32 -0.04 0.00 -1.37 0.00 0.00 64.86 63.13 3g4y h ILE 114 Cb 0.30 1.14 -0.03 0.00 0.47 0.00 0.00 36.82 38.69 3g4y h ILE 114 CO 0.00 0.00 0.27 0.78 -3.07 0.00 0.00 178.15 176.13 3g4y h ASN 115 N 0.00 0.94 0.47 2.19 2.35 -1.66 -1.99 115.58 117.88 3g4y h ASN 115 Ca 0.00 -0.14 -0.02 0.00 -0.55 0.00 0.00 56.30 55.59 3g4y h ASN 115 Cb 0.43 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.56 3g4y h ASN 115 CO 0.00 0.84 -0.26 1.23 -1.65 0.00 0.00 177.43 177.60 3g4y h GLY 116 N 1.07 -0.71 0.96 2.83 0.00 -1.77 -1.11 103.07 104.34 3g4y h GLY 116 Ca 0.23 0.28 0.03 0.00 0.00 0.00 0.00 47.33 47.87 3g4y h GLY 116 CO -0.02 -0.26 0.63 -2.55 0.00 0.00 0.00 176.54 174.34 3g4y h PRO 117 N -0.68 1.21 -0.49 4.80 0.11 -1.72 -1.74 132.00 133.49 3g4y h PRO 117 Ca -0.06 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 65.97 3g4y h PRO 117 Cb 0.54 -0.27 -0.02 0.00 0.11 0.00 0.00 31.00 31.35 3g4y h PRO 117 CO 0.08 0.80 0.27 0.82 -0.21 0.00 0.00 178.00 179.76 3g4y h ILE 118 N 1.24 1.17 -0.69 4.15 2.04 -1.18 -0.80 117.51 123.43 3g4y h ILE 118 Ca 0.38 -0.42 0.02 0.00 1.00 0.00 0.00 64.86 65.83 3g4y h ILE 118 Cb -0.04 0.56 -0.04 0.00 -0.74 0.00 0.00 36.82 36.56 3g4y h ILE 118 CO -0.11 0.18 0.45 0.50 0.00 0.00 0.00 178.15 179.17 3g4y h LYS 119 N 0.65 0.87 -0.41 2.37 3.64 -0.62 -0.31 116.57 122.75 3g4y h LYS 119 Ca 0.17 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.44 3g4y h LYS 119 Cb 0.04 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.65 3g4y h LYS 119 CO -0.03 0.58 0.01 0.87 -2.27 0.00 0.00 179.45 178.61 3g4y h LYS 120 N 0.90 0.73 -0.33 1.90 1.57 -0.90 -0.86 116.57 119.58 3g4y h LYS 120 Ca 0.27 -0.23 -0.11 0.00 -1.87 0.00 0.00 60.65 58.71 3g4y h LYS 120 Cb -0.05 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 3g4y h LYS 120 CO -0.08 0.80 -0.24 0.28 -0.57 0.00 0.00 179.45 179.64 3g4y h VAL 121 N 0.56 1.27 -0.66 0.50 2.07 -0.96 -1.79 116.25 117.24 3g4y h VAL 121 Ca 0.12 -1.32 -0.04 0.00 0.82 0.00 0.00 66.70 66.27 3g4y h VAL 121 Cb 0.47 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 3g4y h VAL 121 CO 0.02 0.43 0.24 -0.07 0.02 0.00 0.00 177.57 178.21 3g4y h LEU 122 N 0.57 0.93 -1.57 2.57 3.38 -0.87 -2.34 115.31 117.97 3g4y h LEU 122 Ca 0.08 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 3g4y h LEU 122 Cb 0.72 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 3g4y h LEU 122 CO 0.05 0.86 -0.21 0.00 0.09 0.00 0.00 178.44 179.24 3g4y h ALA 123 N 1.10 1.65 0.00 1.53 0.00 -0.79 -0.15 119.26 122.60 3g4y h ALA 123 Ca 0.22 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3g4y h ALA 123 Cb 0.24 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3g4y h ALA 123 CO -0.01 0.27 0.00 0.66 0.00 0.00 0.00 179.25 180.16 3g4y h SER 124 N 0.01 0.00 -0.29 0.00 4.64 -0.76 -1.20 113.55 115.94 3g4y h SER 124 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3g4y h SER 124 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 3g4y h SER 124 CO 0.03 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.28 3g4y n LYS 125 N -3.00 2.91 -1.99 4.77 4.76 -0.73 -4.97 118.16 119.91 3g4y n LYS 125 Ca -0.01 -2.54 -0.13 0.00 -2.87 0.00 0.00 58.31 52.76 3g4y n LYS 125 Cb 0.21 -1.63 -0.02 0.00 -1.84 0.00 0.00 35.03 31.75 3g4y n LYS 125 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3g4y n ASN 126 N -0.14 -4.15 -4.57 4.39 4.13 -0.45 -5.01 115.26 109.46 3g4y n ASN 126 Ca 0.18 0.08 -0.40 0.00 1.68 0.00 0.00 54.58 56.12 3g4y n ASN 126 Cb 0.72 -3.18 -0.10 0.00 -1.54 0.00 0.00 39.78 35.68 3g4y n ASN 126 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 3g4y s PHE 127 N -2.59 3.22 0.00 3.10 0.08 -0.15 -4.97 117.98 116.68 3g4y s PHE 127 Ca 0.00 0.16 0.00 0.00 0.12 0.00 0.00 56.93 57.21 3g4y s PHE 127 Cb 0.00 -2.59 0.00 0.00 -0.57 0.00 0.00 43.02 39.86 3g4y s PHE 127 CO 0.00 -0.31 0.00 0.41 -0.10 0.00 0.00 175.22 175.22 3g4y n GLY 128 N 4.87 -1.00 0.37 4.36 0.00 -1.26 -3.30 105.19 109.23 3g4y n GLY 128 Ca -0.10 -1.64 0.13 0.00 0.00 0.00 0.00 46.02 44.41 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 -0.02 0.65 -0.66 1.61 3.32 -1.97 -1.25 116.42 118.11 3g4y h ASP 129 Ca 0.00 0.05 0.09 0.00 0.02 0.00 0.00 57.03 57.18 3g4y h ASP 129 Cb 0.00 -0.08 -0.07 0.00 0.22 0.00 0.00 39.33 39.40 3g4y h ASP 129 CO 0.00 0.31 0.31 0.50 -1.72 0.00 0.00 179.24 178.64 3g4y h LYS 130 N 0.68 0.53 -0.23 3.56 3.64 -1.99 0.14 116.57 122.90 3g4y h LYS 130 Ca 0.47 -0.03 -0.17 0.00 -1.27 0.00 0.00 60.65 59.65 3g4y h LYS 130 Cb 0.78 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.48 3g4y h LYS 130 CO -0.22 0.35 -0.55 1.88 -2.27 0.00 0.00 179.45 178.63 3g4y h TYR 131 N 0.54 0.87 -0.57 1.91 0.05 -1.58 -2.19 116.97 116.00 3g4y h TYR 131 Ca 0.32 -0.31 -0.07 0.00 0.05 0.00 0.00 58.73 58.72 3g4y h TYR 131 Cb 0.34 -0.16 -0.02 0.00 1.01 0.00 0.00 36.73 37.89 3g4y h TYR 131 CO -0.12 1.08 0.07 0.00 -1.05 0.00 0.00 178.16 178.14 3g4y h ALA 132 N 0.85 1.05 -0.43 3.88 0.00 -0.86 -1.53 119.26 122.22 3g4y h ALA 132 Ca 0.01 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.58 3g4y h ALA 132 Cb 1.12 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 3g4y h ALA 132 CO 0.11 0.61 -0.08 -0.91 0.00 0.00 0.00 179.25 178.97 3g4y h ASN 133 N 0.88 0.73 -0.35 0.00 -0.26 -0.64 -0.98 115.58 114.97 3g4y h ASN 133 Ca 0.18 -0.20 -0.03 0.00 -0.56 0.00 0.00 56.30 55.68 3g4y h ASN 133 Cb 0.41 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 37.46 3g4y h ASN 133 CO 0.01 0.85 0.11 0.00 -1.06 0.00 0.00 177.43 177.34 3g4y h ALA 134 N 1.22 0.46 -0.06 -0.83 0.00 -0.82 -2.38 119.26 116.84 3g4y h ALA 134 Ca 0.12 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 3g4y h ALA 134 Cb 0.54 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3g4y h ALA 134 CO 0.03 0.09 -0.32 -1.49 0.00 0.00 0.00 179.25 177.57 3g4y h TRP 135 N 0.41 0.13 -0.05 0.00 4.06 -1.06 -2.02 115.95 117.41 3g4y h TRP 135 Ca 0.11 -0.02 -0.07 0.00 2.06 0.00 0.00 58.89 60.97 3g4y h TRP 135 Cb 0.25 -0.03 -0.01 0.00 -1.00 0.00 0.00 29.16 28.37 3g4y h TRP 135 CO 0.01 0.42 -0.27 0.00 -3.56 0.00 0.00 178.44 175.04 3g4y h ALA 136 N 1.58 1.46 -0.16 1.49 0.00 -0.86 -0.53 119.26 122.24 3g4y h ALA 136 Ca 0.01 -0.27 -0.15 0.00 0.00 0.00 0.00 54.91 54.50 3g4y h ALA 136 Cb 0.62 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3g4y h ALA 136 CO 0.05 0.40 -0.53 0.87 0.00 0.00 0.00 179.25 180.03 3g4y h LYS 137 N 0.08 0.45 -0.22 0.00 1.57 -0.87 -0.94 116.57 116.64 3g4y h LYS 137 Ca 0.01 -0.27 -0.20 0.00 -1.87 0.00 0.00 60.65 58.32 3g4y h LYS 137 Cb 0.53 0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.87 3g4y h LYS 137 CO 0.04 0.86 -0.65 1.25 -0.57 0.00 0.00 179.45 180.38 3g4y h LEU 138 N 0.35 0.95 -1.47 2.94 5.85 -1.13 -2.88 115.31 119.91 3g4y h LEU 138 Ca 0.01 -0.58 -0.03 0.00 0.84 0.00 0.00 57.88 58.12 3g4y h LEU 138 Cb 1.04 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.78 3g4y h LEU 138 CO 0.09 1.36 0.04 0.58 -0.34 0.00 0.00 178.44 180.18 3g4y h VAL 139 N 0.58 1.14 0.00 1.05 2.07 -1.01 -1.56 116.25 118.53 3g4y h VAL 139 Ca -0.02 -0.53 -0.03 0.00 0.82 0.00 0.00 66.70 66.94 3g4y h VAL 139 Cb 1.27 0.90 -0.00 0.00 -1.52 0.00 0.00 31.29 31.94 3g4y h VAL 139 CO 0.14 0.18 -0.16 0.00 0.02 0.00 0.00 177.57 177.75 3g4y h ALA 140 N 1.67 1.33 -0.49 1.67 0.00 -0.96 -1.40 119.26 121.08 3g4y h ALA 140 Ca 0.09 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 3g4y h ALA 140 Cb 0.19 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3g4y h ALA 140 CO 0.00 0.20 -0.20 0.28 0.00 0.00 0.00 179.25 179.53 3g4y h VAL 141 N 0.00 1.27 -0.40 0.00 2.07 -1.15 -1.88 116.25 116.16 3g4y h VAL 141 Ca -0.00 -1.37 -0.13 0.00 0.82 0.00 0.00 66.70 66.02 3g4y h VAL 141 Cb 0.39 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 3g4y h VAL 141 CO 0.02 0.47 -0.25 0.58 0.02 0.00 0.00 177.57 178.41 3g4y h VAL 142 N 0.87 1.28 -0.05 2.57 2.07 -1.36 -2.92 116.25 118.72 3g4y h VAL 142 Ca 0.11 -1.41 0.01 0.00 0.82 0.00 0.00 66.70 66.24 3g4y h VAL 142 Cb 0.78 1.31 -0.00 0.00 -1.52 0.00 0.00 31.29 31.86 3g4y h VAL 142 CO 0.06 0.47 0.03 1.56 0.02 0.00 0.00 177.57 179.72 3g4y h GLN 143 N 0.69 0.00 0.00 1.57 4.20 -1.07 0.10 115.11 120.61 3g4y h GLN 143 Ca 0.08 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.79 3g4y h GLN 143 Cb 0.83 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.60 3g4y h GLN 143 CO 0.07 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.23 3g4y h ALA 144 N 1.98 1.00 -0.02 3.87 0.00 -1.14 -1.95 119.26 123.00 3g4y h ALA 144 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3g4y h ALA 144 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3g4y h ALA 144 CO -0.00 0.00 -0.26 0.00 0.00 0.00 0.00 179.25 178.99 3g4y n ALA 145 N -2.01 3.08 0.77 0.00 0.00 0.01 -4.57 120.51 117.79 3g4y n ALA 145 Ca 0.00 -0.62 0.09 0.00 0.00 0.00 0.00 53.44 52.92 3g4y n ALA 145 Cb 0.23 -0.86 0.08 0.00 0.00 0.00 0.00 19.45 18.89 3g4y n ALA 145 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78