#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g3a s VAL 2 N 0.00 4.76 0.50 3.15 1.01 -1.26 -1.37 120.40 127.19 3g3a s VAL 2 Ca 0.00 0.22 -0.21 0.00 0.00 0.00 0.00 61.98 61.99 3g3a s VAL 2 Cb 0.00 -4.25 -0.07 0.00 0.00 0.00 0.00 36.38 32.05 3g3a s VAL 2 CO 0.00 -0.65 1.09 -0.36 0.00 0.00 0.00 175.10 175.18 3g3a s PHE 3 N 3.00 2.88 0.65 5.22 0.08 -0.33 -4.99 117.98 124.49 3g3a s PHE 3 Ca 0.25 1.57 -0.12 0.00 0.12 0.00 0.00 56.93 58.74 3g3a s PHE 3 Cb -0.13 -3.19 -0.01 0.00 -0.57 0.00 0.00 43.02 39.11 3g3a s PHE 3 CO 0.20 -1.16 1.05 0.20 -0.10 0.00 0.00 175.22 175.41 3g3a s GLY 4 N -1.80 1.81 0.14 4.36 0.00 -1.26 -4.79 107.32 105.79 3g3a s GLY 4 Ca 0.68 0.16 -0.17 0.00 0.00 0.00 0.00 44.72 45.39 3g3a s GLY 4 CO 0.25 0.47 1.79 -0.09 0.00 0.00 0.00 173.10 175.51 3g3a h ARG 5 N -0.29 0.46 -0.47 2.90 2.43 -1.98 0.10 114.38 117.53 3g3a h ARG 5 Ca -0.45 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 58.65 3g3a h ARG 5 Cb 1.21 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.64 3g3a h ARG 5 CO 0.58 0.32 0.16 0.00 -1.51 0.00 0.00 179.97 179.52 3g3a h GLU 7 N 0.63 0.47 -0.33 0.00 4.81 -1.89 0.34 114.58 118.61 3g3a h GLU 7 Ca 0.15 -0.03 -0.13 0.00 -0.13 0.00 0.00 59.36 59.23 3g3a h GLU 7 Cb 0.24 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 3g3a h GLU 7 CO -0.01 0.31 -0.30 1.25 -0.73 0.00 0.00 179.01 179.54 3g3a h LEU 8 N 0.48 0.83 -0.60 1.64 5.85 -0.89 -2.18 115.31 120.44 3g3a h LEU 8 Ca 0.14 -0.46 0.12 0.00 0.84 0.00 0.00 57.88 58.52 3g3a h LEU 8 Cb -0.03 -0.23 -0.11 0.00 0.37 0.00 0.00 40.66 40.65 3g3a h LEU 8 CO -0.04 1.12 -0.10 0.00 -0.34 0.00 0.00 178.44 179.07 3g3a h ALA 9 N 0.74 0.45 -0.62 1.25 0.00 -0.85 -1.37 119.26 118.86 3g3a h ALA 9 Ca 0.06 0.22 -0.06 0.00 0.00 0.00 0.00 54.91 55.12 3g3a h ALA 9 Cb 0.87 0.41 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 3g3a h ALA 9 CO 0.08 -0.42 0.16 0.00 0.00 0.00 0.00 179.25 179.06 3g3a h ALA 10 N 1.58 0.82 -0.51 0.00 0.00 -0.84 -1.51 119.26 118.80 3g3a h ALA 10 Ca 0.30 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 3g3a h ALA 10 Cb 0.46 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3g3a h ALA 10 CO -0.58 0.53 0.16 0.00 0.00 0.00 0.00 179.25 179.35 3g3a h ALA 11 N 1.05 0.66 -0.25 0.00 0.00 -1.16 -2.02 119.26 117.54 3g3a h ALA 11 Ca 0.20 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 3g3a h ALA 11 Cb 0.35 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3g3a h ALA 11 CO 0.00 0.32 -0.36 0.52 0.00 0.00 0.00 179.25 179.73 3g3a h MET 12 N 0.69 0.56 0.10 0.00 2.86 -1.13 -2.54 114.93 115.47 3g3a h MET 12 Ca 0.16 -0.27 0.02 0.00 -2.06 0.00 0.00 59.70 57.56 3g3a h MET 12 Cb 0.28 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.89 3g3a h MET 12 CO -0.00 0.84 -0.28 -0.22 1.06 0.00 0.00 176.91 178.31 3g3a h LYS 13 N 0.47 -0.47 -0.92 1.72 1.63 -1.07 -1.27 116.57 116.67 3g3a h LYS 13 Ca 0.05 0.03 0.11 0.00 -0.85 0.00 0.00 60.65 59.99 3g3a h LYS 13 Cb 0.85 0.11 -0.07 0.00 -0.60 0.00 0.00 32.23 32.51 3g3a h LYS 13 CO 0.07 -0.31 0.59 -0.09 -3.45 0.00 0.00 179.45 176.26 3g3a h ARG 14 N -0.48 0.84 -0.02 1.90 2.43 -1.13 -0.38 114.38 117.53 3g3a h ARG 14 Ca 0.04 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3g3a h ARG 14 Cb 0.52 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 3g3a h ARG 14 CO -0.17 0.56 0.00 0.72 -1.51 0.00 0.00 179.97 179.56 3g3a n HIS 15 N -4.55 0.03 -0.91 2.20 8.25 -0.98 -4.91 115.22 114.35 3g3a n HIS 15 Ca 0.16 -0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.61 3g3a n HIS 15 Cb 0.35 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.46 3g3a n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3g3a n GLY 16 N 0.90 0.46 0.29 -1.41 0.00 -0.15 -4.95 105.19 100.34 3g3a n GLY 16 Ca 0.17 -0.75 0.19 0.00 0.00 0.00 0.00 46.02 45.62 3g3a n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3g3a h LEU 17 N 0.00 0.00 -9.50 0.99 3.38 -1.43 -3.39 115.31 105.36 3g3a h LEU 17 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 3g3a h LEU 17 Cb 0.00 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.78 3g3a h LEU 17 CO 0.00 0.00 1.01 -0.62 0.09 0.00 0.00 178.44 178.92 3g3a s ASP 18 N -5.42 6.54 -1.56 -0.43 2.15 -1.26 -2.37 116.67 114.31 3g3a s ASP 18 Ca -0.01 2.61 -0.16 0.00 0.43 0.00 0.00 52.55 55.42 3g3a s ASP 18 Cb 0.10 -2.57 0.16 0.00 -0.30 0.00 0.00 42.92 40.31 3g3a s ASP 18 CO 0.49 -0.92 0.39 0.59 -0.17 0.00 0.00 175.17 175.55 3g3a n ASN 19 N 5.27 -0.97 -4.67 -0.34 4.13 -0.09 -4.88 115.26 113.71 3g3a n ASN 19 Ca 0.16 -1.09 -0.43 0.00 1.68 0.00 0.00 54.58 54.91 3g3a n ASN 19 Cb 0.39 -1.38 -0.02 0.00 -1.54 0.00 0.00 39.78 37.22 3g3a n ASN 19 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 3g3a s TYR 20 N -3.27 2.87 -1.21 3.10 5.04 -1.00 -2.93 117.35 119.96 3g3a s TYR 20 Ca 0.54 0.99 0.00 0.00 -2.44 0.00 0.00 57.07 56.16 3g3a s TYR 20 Cb -0.32 -3.52 0.00 0.00 0.35 0.00 0.00 41.96 38.47 3g3a s TYR 20 CO 0.89 -1.80 0.00 0.54 -1.34 0.00 0.00 175.55 173.84 3g3a n ARG 21 N 6.21 -2.02 -1.49 4.97 5.12 -1.26 -1.62 116.66 126.58 3g3a n ARG 21 Ca 0.13 0.69 -0.06 0.00 -1.93 0.00 0.00 57.85 56.68 3g3a n ARG 21 Cb 0.45 -5.25 -0.02 0.00 -1.16 0.00 0.00 32.46 26.49 3g3a n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3g3a n GLY 22 N -0.75 0.60 3.43 -0.13 0.00 -1.15 -5.03 105.19 102.16 3g3a n GLY 22 Ca -0.16 -0.74 -0.40 0.00 0.00 0.00 0.00 46.02 44.72 3g3a n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3g3a s TYR 23 N -2.25 3.22 0.73 1.61 2.02 -0.64 -4.88 117.35 117.17 3g3a s TYR 23 Ca 0.00 -0.70 -0.16 0.00 -0.37 0.00 0.00 57.07 55.85 3g3a s TYR 23 Cb 0.00 -2.45 0.02 0.00 -0.40 0.00 0.00 41.96 39.13 3g3a s TYR 23 CO 0.00 -0.55 1.06 -1.13 -1.57 0.00 0.00 175.55 173.36 3g3a n SER 24 N 5.04 0.80 -0.27 2.29 3.41 -1.26 -0.91 113.62 122.71 3g3a n SER 24 Ca -0.12 0.67 0.08 0.00 -0.26 0.00 0.00 58.87 59.23 3g3a n SER 24 Cb 0.47 -1.45 0.21 0.00 -0.26 0.00 0.00 64.21 63.18 3g3a n SER 24 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3g3a h LEU 25 N -0.30 -0.17 -2.05 1.04 5.85 -1.90 -1.58 115.31 116.21 3g3a h LEU 25 Ca -0.48 0.19 0.11 0.00 0.84 0.00 0.00 57.88 58.54 3g3a h LEU 25 Cb 1.33 0.29 -0.01 0.00 0.37 0.00 0.00 40.66 42.63 3g3a h LEU 25 CO 0.47 -0.14 0.29 1.23 -0.34 0.00 0.00 178.44 179.95 3g3a h GLY 26 N 0.17 0.00 1.00 3.75 0.00 -1.92 -2.66 103.07 103.41 3g3a h GLY 26 Ca 0.46 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.77 3g3a h GLY 26 CO -0.63 0.00 0.34 3.43 0.00 0.00 0.00 176.54 179.67 3g3a h ASN 27 N 0.00 0.85 0.16 0.19 2.35 -1.49 -0.45 115.58 117.18 3g3a h ASN 27 Ca 0.17 -0.11 -0.19 0.00 -0.55 0.00 0.00 56.30 55.62 3g3a h ASN 27 Cb 0.75 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.90 3g3a h ASN 27 CO -0.00 0.72 -0.74 -0.50 -1.65 0.00 0.00 177.43 175.26 3g3a h TRP 28 N 0.91 0.68 0.09 1.19 4.06 -1.59 0.77 115.95 122.06 3g3a h TRP 28 Ca 0.23 -0.30 -0.00 0.00 2.06 0.00 0.00 58.89 60.87 3g3a h TRP 28 Cb 0.08 -0.10 0.00 0.00 -1.00 0.00 0.00 29.16 28.14 3g3a h TRP 28 CO -0.00 1.08 -0.04 0.28 -3.56 0.00 0.00 178.44 176.19 3g3a h VAL 29 N 0.34 1.04 -1.00 1.49 2.07 -1.49 -2.32 116.25 116.39 3g3a h VAL 29 Ca -0.04 -0.49 0.10 0.00 0.82 0.00 0.00 66.70 67.09 3g3a h VAL 29 Cb 1.33 1.36 -0.08 0.00 -1.52 0.00 0.00 31.29 32.38 3g3a h VAL 29 CO 0.13 0.12 0.64 0.00 0.02 0.00 0.00 177.57 178.48 3g3a h ALA 31 N 1.50 -0.10 -0.74 0.00 0.00 -0.73 -2.83 119.26 116.36 3g3a h ALA 31 Ca 0.47 -0.14 0.10 0.00 0.00 0.00 0.00 54.91 55.33 3g3a h ALA 31 Cb 0.35 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 3g3a h ALA 31 CO -0.22 -0.43 0.48 0.00 0.00 0.00 0.00 179.25 179.08 3g3a h ALA 32 N 0.54 1.84 -0.61 0.00 0.00 -1.39 -1.39 119.26 118.25 3g3a h ALA 32 Ca -0.01 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.95 3g3a h ALA 32 Cb 0.31 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 3g3a h ALA 32 CO 0.02 0.01 0.32 -0.22 0.00 0.00 0.00 179.25 179.38 3g3a h LYS 33 N 0.63 0.59 0.00 0.00 1.63 -1.10 -1.95 116.57 116.38 3g3a h LYS 33 Ca 0.34 -0.04 -0.19 0.00 -0.85 0.00 0.00 60.65 59.91 3g3a h LYS 33 Cb 0.48 -0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 31.94 3g3a h LYS 33 CO -0.12 0.39 -1.16 0.74 -3.45 0.00 0.00 179.45 175.85 3g3a h PHE 34 N 0.61 0.00 -0.16 1.91 0.04 -1.18 -0.30 116.94 117.85 3g3a h PHE 34 Ca 0.28 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.94 3g3a h PHE 34 Cb 0.18 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.33 3g3a h PHE 34 CO -0.09 0.76 -0.31 0.93 -0.60 0.00 0.00 178.31 179.00 3g3a h GLU 35 N 0.00 0.50 0.00 1.51 4.39 -1.23 -3.42 114.58 116.32 3g3a h GLU 35 Ca -0.12 -0.32 0.00 0.00 0.34 0.00 0.00 59.36 59.27 3g3a h GLU 35 Cb 1.68 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 30.37 3g3a h GLU 35 CO 0.08 0.92 -0.09 -1.13 -1.16 0.00 0.00 179.01 177.63 3g3a n SER 36 N -4.37 0.46 -2.63 1.42 3.41 -0.79 -4.84 113.62 106.29 3g3a n SER 36 Ca -0.06 -0.12 -0.21 0.00 -0.26 0.00 0.00 58.87 58.21 3g3a n SER 36 Cb 0.48 0.33 0.01 0.00 -0.26 0.00 0.00 64.21 64.77 3g3a n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3g3a n ASN 37 N -0.38 -5.90 -0.55 4.04 5.15 -0.12 -2.33 115.26 115.17 3g3a n ASN 37 Ca 0.00 -0.11 -0.07 0.00 -0.60 0.00 0.00 54.58 53.80 3g3a n ASN 37 Cb 0.00 -4.86 -0.03 0.00 -0.53 0.00 0.00 39.78 34.36 3g3a n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 3g3a n PHE 38 N -4.17 -0.01 -3.11 1.20 3.72 -1.22 -4.82 117.46 109.06 3g3a n PHE 38 Ca -0.19 0.00 -0.44 0.00 -0.05 0.00 0.00 57.45 56.77 3g3a n PHE 38 Cb 0.66 -1.52 -0.06 0.00 -0.94 0.00 0.00 39.48 37.62 3g3a n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 3g3a s ASN 39 N -2.92 6.24 0.57 4.37 3.84 -0.98 -1.19 114.94 124.87 3g3a s ASN 39 Ca 0.00 -0.84 0.26 0.00 0.21 0.00 0.00 52.86 52.49 3g3a s ASN 39 Cb 0.00 -2.31 1.60 0.00 -0.55 0.00 0.00 41.25 39.99 3g3a s ASN 39 CO 0.00 -0.95 2.14 0.71 -2.79 0.00 0.00 177.10 176.21 3g3a h THR 40 N 5.89 0.61 -0.37 -5.21 1.35 -1.54 -2.30 112.91 111.34 3g3a h THR 40 Ca -0.27 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 3g3a h THR 40 Cb 1.09 0.90 0.00 0.00 -1.73 0.00 0.00 68.15 68.41 3g3a h THR 40 CO 0.99 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 176.26 3g3a n GLN 41 N -4.01 2.23 -1.68 4.72 6.02 -1.26 -3.68 117.38 119.72 3g3a n GLN 41 Ca 0.00 -1.88 -0.43 0.00 -0.01 0.00 0.00 57.00 54.68 3g3a n GLN 41 Cb 0.24 -1.46 -0.03 0.00 1.02 0.00 0.00 30.24 30.01 3g3a n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3g3a n ALA 42 N 1.07 1.85 -2.50 -1.58 0.00 -0.86 -4.80 120.51 113.69 3g3a n ALA 42 Ca 0.18 0.30 -0.25 0.00 0.00 0.00 0.00 53.44 53.67 3g3a n ALA 42 Cb 0.49 -2.59 -0.14 0.00 0.00 0.00 0.00 19.45 17.21 3g3a n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3g3a s THR 43 N 3.14 1.55 -0.08 0.00 -4.23 -1.26 -0.99 115.64 113.77 3g3a s THR 43 Ca 0.85 -1.09 -0.00 0.00 -1.18 0.00 0.00 61.69 60.26 3g3a s THR 43 Cb -0.51 -1.35 0.02 0.00 1.34 0.00 0.00 72.50 72.01 3g3a s THR 43 CO 0.40 0.22 -0.05 0.21 -0.54 0.00 0.00 174.62 174.87 3g3a s ASN 44 N -1.02 1.72 -0.09 3.99 3.04 -0.05 -4.96 114.94 117.57 3g3a s ASN 44 Ca 0.07 -0.20 -0.27 0.00 0.04 0.00 0.00 52.86 52.50 3g3a s ASN 44 Cb -0.08 -0.63 -0.02 0.00 -1.54 0.00 0.00 41.25 38.97 3g3a s ASN 44 CO 0.01 -0.12 0.90 -0.13 -3.04 0.00 0.00 177.10 174.72 3g3a s ARG 45 N 1.56 4.43 0.30 0.43 1.81 -1.26 -0.14 118.95 126.08 3g3a s ARG 45 Ca 0.00 1.21 0.06 0.00 -1.72 0.00 0.00 55.73 55.29 3g3a s ARG 45 Cb -0.13 -3.51 -0.02 0.00 -0.45 0.00 0.00 34.95 30.84 3g3a s ARG 45 CO -0.05 -0.19 0.40 -0.80 -0.68 0.00 0.00 175.30 173.99 3g3a s ASN 46 N 1.04 5.99 0.48 0.23 0.02 0.38 -4.97 114.94 118.10 3g3a s ASN 46 Ca 0.45 -0.14 0.27 0.00 -1.02 0.00 0.00 52.86 52.42 3g3a s ASN 46 Cb -0.18 -1.42 0.85 0.00 0.02 0.00 0.00 41.25 40.51 3g3a s ASN 46 CO 0.19 -0.28 1.79 0.71 0.02 0.00 0.00 177.10 179.53 3g3a h THR 47 N 1.06 0.14 -0.02 1.60 1.35 -1.97 -2.37 112.91 112.69 3g3a h THR 47 Ca -0.48 -0.89 0.00 0.00 -0.55 0.00 0.00 66.41 64.49 3g3a h THR 47 Cb 1.25 1.78 0.00 0.00 -1.73 0.00 0.00 68.15 69.45 3g3a h THR 47 CO 0.56 0.06 0.00 -0.90 -0.25 0.00 0.00 175.52 175.00 3g3a n ASP 48 N -3.15 0.28 0.00 5.36 5.75 -1.26 -4.90 116.55 118.64 3g3a n ASP 48 Ca 0.02 -1.39 0.00 0.00 -0.01 0.00 0.00 54.79 53.41 3g3a n ASP 48 Cb 0.43 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.51 3g3a n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3g3a n GLY 49 N 0.89 0.87 3.88 6.12 0.00 -0.89 -4.94 105.19 111.12 3g3a n GLY 49 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 3g3a n GLY 49 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3g3a n SER 50 N 0.00 0.64 -3.75 1.61 3.41 -1.26 -4.47 113.62 109.80 3g3a n SER 50 Ca 0.00 -1.77 -0.13 0.00 -0.26 0.00 0.00 58.87 56.71 3g3a n SER 50 Cb 0.00 -0.86 -0.11 0.00 -0.26 0.00 0.00 64.21 62.98 3g3a n SER 50 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3g3a s THR 51 N -3.57 -0.00 -0.08 6.66 2.01 -1.26 -0.47 115.64 118.93 3g3a s THR 51 Ca 0.72 0.01 -0.19 0.00 0.31 0.00 0.00 61.69 62.53 3g3a s THR 51 Cb -0.03 -0.48 -0.04 0.00 0.01 0.00 0.00 72.50 71.96 3g3a s THR 51 CO 0.49 0.00 0.54 -1.81 -0.69 0.00 0.00 174.62 173.16 3g3a s ASP 52 N 0.29 6.81 -0.09 3.53 1.01 0.80 -1.74 116.67 127.28 3g3a s ASP 52 Ca -0.01 0.96 0.04 0.00 0.71 0.00 0.00 52.55 54.25 3g3a s ASP 52 Cb -0.03 -2.32 -0.01 0.00 1.01 0.00 0.00 42.92 41.57 3g3a s ASP 52 CO -0.01 0.02 -0.21 -0.31 0.21 0.00 0.00 175.17 174.87 3g3a s TYR 53 N 0.40 2.59 0.00 4.23 2.02 0.10 -0.87 117.35 125.81 3g3a s TYR 53 Ca 0.29 -0.77 0.00 0.00 -0.37 0.00 0.00 57.07 56.22 3g3a s TYR 53 Cb -0.16 -1.70 0.00 0.00 -0.40 0.00 0.00 41.96 39.70 3g3a s TYR 53 CO 0.13 -0.25 0.00 0.41 -1.57 0.00 0.00 175.55 174.27 3g3a n GLY 54 N 3.23 -1.84 0.29 0.71 0.00 -0.16 -2.04 105.19 105.37 3g3a n GLY 54 Ca -0.18 -1.46 0.12 0.00 0.00 0.00 0.00 46.02 44.50 3g3a n GLY 54 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3g3a h ILE 55 N 0.00 0.74 -0.11 -0.61 2.04 -1.73 -2.25 117.51 115.60 3g3a h ILE 55 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 3g3a h ILE 55 Cb 0.00 0.97 0.00 0.00 -0.74 0.00 0.00 36.82 37.05 3g3a h ILE 55 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 178.15 178.33 3g3a n LEU 56 N -4.18 2.41 -3.72 1.44 4.77 -1.26 -3.95 117.00 112.51 3g3a n LEU 56 Ca -0.02 -2.20 -0.31 0.00 -0.03 0.00 0.00 56.01 53.45 3g3a n LEU 56 Cb 0.13 -0.15 0.04 0.00 -2.33 0.00 0.00 43.42 41.11 3g3a n LEU 56 CO 0.31 0.60 -0.09 0.00 -1.33 0.00 0.00 177.39 176.88 3g3a n GLN 57 N -0.35 -1.54 -2.73 3.23 1.13 -0.85 -4.93 117.38 111.35 3g3a n GLN 57 Ca 0.06 0.45 -0.41 0.00 -1.94 0.00 0.00 57.00 55.16 3g3a n GLN 57 Cb 0.39 -4.17 -0.04 0.00 0.11 0.00 0.00 30.24 26.52 3g3a n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3g3a s ILE 58 N -3.52 4.54 -0.11 5.09 1.01 -0.87 -4.60 121.20 122.74 3g3a s ILE 58 Ca 0.41 2.07 -0.06 0.00 0.00 0.00 0.00 60.65 63.08 3g3a s ILE 58 Cb -0.15 -4.32 -0.04 0.00 0.01 0.00 0.00 42.46 37.96 3g3a s ILE 58 CO 0.86 0.30 0.10 0.21 0.00 0.00 0.00 174.94 176.42 3g3a s ASN 59 N 0.11 6.07 0.00 3.58 3.84 -1.26 0.00 114.94 127.28 3g3a s ASN 59 Ca 0.47 0.38 0.31 0.00 0.21 0.00 0.00 52.86 54.23 3g3a s ASN 59 Cb -0.23 -1.91 1.59 0.00 -0.55 0.00 0.00 41.25 40.16 3g3a s ASN 59 CO 0.30 0.40 2.09 -1.54 -2.79 0.00 0.00 177.10 175.55 3g3a n SER 60 N 2.05 0.01 -0.04 -4.21 3.41 -0.71 -2.15 113.62 111.98 3g3a n SER 60 Ca -0.20 -0.30 -0.10 0.00 -0.26 0.00 0.00 58.87 58.01 3g3a n SER 60 Cb 0.55 -0.23 -0.04 0.00 -0.26 0.00 0.00 64.21 64.23 3g3a n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3g3a h ARG 61 N 0.01 0.25 0.00 4.33 9.65 -1.84 -3.39 114.38 123.39 3g3a h ARG 61 Ca 0.00 -0.02 -0.06 0.00 -1.10 0.00 0.00 59.98 58.81 3g3a h ARG 61 Cb 0.23 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 28.75 3g3a h ARG 61 CO 0.00 0.19 -1.26 0.91 2.80 0.00 0.00 179.97 182.61 3g3a n TRP 62 N -4.94 0.00 -0.07 2.20 7.02 -1.22 0.09 117.44 120.51 3g3a n TRP 62 Ca -0.04 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.35 3g3a n TRP 62 Cb 0.04 -0.18 -0.08 0.00 -2.42 0.00 0.00 31.31 28.68 3g3a n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 3g3a n TRP 63 N -2.03 0.00 -4.17 -5.99 7.02 -0.91 -0.56 117.44 110.81 3g3a n TRP 63 Ca -0.05 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.32 3g3a n TRP 63 Cb 0.50 -0.59 -0.10 0.00 -2.42 0.00 0.00 31.31 28.70 3g3a n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3g3a s ASN 65 N -3.07 5.11 0.00 0.00 2.47 -0.78 -4.53 114.94 114.14 3g3a s ASN 65 Ca 0.24 -0.31 0.13 0.00 0.42 0.00 0.00 52.86 53.34 3g3a s ASN 65 Cb 0.07 -1.91 0.08 0.00 -1.45 0.00 0.00 41.25 38.04 3g3a s ASN 65 CO 0.02 -0.07 0.87 -0.90 -3.72 0.00 0.00 177.10 173.30 3g3a n ASP 66 N 4.91 1.92 -1.60 -4.21 5.68 -1.26 -0.61 116.55 121.39 3g3a n ASP 66 Ca -0.16 -1.46 -0.19 0.00 -0.50 0.00 0.00 54.79 52.48 3g3a n ASP 66 Cb 0.51 0.10 -0.06 0.00 -1.14 0.00 0.00 41.12 40.52 3g3a n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3g3a n GLY 67 N 0.78 1.27 0.36 6.12 0.00 -1.26 -4.81 105.19 107.64 3g3a n GLY 67 Ca 0.07 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.97 3g3a n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3g3a n ARG 68 N -2.54 0.00 -3.80 1.61 1.85 -1.26 -5.01 116.66 107.51 3g3a n ARG 68 Ca -0.19 -0.69 -0.34 0.00 -1.00 0.00 0.00 57.85 55.62 3g3a n ARG 68 Cb 0.62 -0.40 -0.11 0.00 -1.05 0.00 0.00 32.46 31.52 3g3a n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 3g3a s THR 69 N 0.00 3.33 0.43 8.89 2.01 -1.26 -4.82 115.64 124.21 3g3a s THR 69 Ca 0.00 -3.01 -0.24 0.00 0.31 0.00 0.00 61.69 58.75 3g3a s THR 69 Cb 0.00 -3.22 -0.10 0.00 0.01 0.00 0.00 72.50 69.19 3g3a s THR 69 CO 0.00 -0.84 1.06 -2.65 -0.69 0.00 0.00 174.62 171.50 3g3a n PRO 70 N 3.45 1.45 -0.99 4.92 -0.02 -1.26 -2.57 135.00 139.97 3g3a n PRO 70 Ca 0.06 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 3g3a n PRO 70 Cb 0.36 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 3g3a n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3g3a n GLY 71 N 1.11 0.40 3.95 -1.23 0.00 -1.26 -4.96 105.19 103.20 3g3a n GLY 71 Ca 0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 3g3a n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3g3a s SER 72 N -2.04 5.23 0.43 1.61 1.04 -1.06 -5.07 113.70 113.83 3g3a s SER 72 Ca 0.00 0.28 0.07 0.00 0.48 0.00 0.00 55.95 56.78 3g3a s SER 72 Cb 0.00 -1.14 -0.02 0.00 0.10 0.00 0.00 66.02 64.96 3g3a s SER 72 CO 0.00 -1.23 0.36 -0.13 0.98 0.00 0.00 173.24 173.22 3g3a s ARG 73 N -4.93 2.47 -0.41 4.02 1.81 0.11 -5.00 118.95 117.02 3g3a s ARG 73 Ca 0.57 -1.61 0.07 0.00 -1.72 0.00 0.00 55.73 53.03 3g3a s ARG 73 Cb -0.10 -2.31 0.23 0.00 -0.45 0.00 0.00 34.95 32.31 3g3a s ARG 73 CO 0.41 -0.22 0.53 -1.71 -0.68 0.00 0.00 175.30 173.63 3g3a n ASN 74 N -1.53 -0.47 0.23 0.23 5.15 -1.22 -3.72 115.26 113.92 3g3a n ASN 74 Ca 0.03 -2.70 0.12 0.00 -0.60 0.00 0.00 54.58 51.43 3g3a n ASN 74 Cb 0.62 -0.25 0.46 0.00 -0.53 0.00 0.00 39.78 40.09 3g3a n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 3g3a h LEU 75 N 4.41 0.00 -0.30 1.20 3.38 -0.63 -1.41 115.31 121.96 3g3a h LEU 75 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3g3a h LEU 75 Cb 0.91 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.66 3g3a h LEU 75 CO 0.41 0.14 -0.18 0.00 0.09 0.00 0.00 178.44 178.90 3g3a n ASN 77 N -0.91 -3.51 -3.77 0.00 4.13 -0.53 -4.99 115.26 105.68 3g3a n ASN 77 Ca 0.13 -0.94 -0.13 0.00 1.68 0.00 0.00 54.58 55.31 3g3a n ASN 77 Cb 0.31 -3.64 -0.11 0.00 -1.54 0.00 0.00 39.78 34.81 3g3a n ASN 77 CO 0.00 0.00 0.00 -0.51 0.28 0.00 0.00 177.26 177.03 3g3a s ILE 78 N -3.60 0.01 0.41 2.41 1.10 -1.26 -5.09 121.20 115.17 3g3a s ILE 78 Ca 0.27 -0.07 -0.24 0.00 -0.51 0.00 0.00 60.65 60.10 3g3a s ILE 78 Cb -0.09 -0.46 -0.08 0.00 0.15 0.00 0.00 42.46 41.97 3g3a s ILE 78 CO 0.84 -0.04 1.11 -2.16 -2.11 0.00 0.00 174.94 172.59 3g3a s PRO 79 N -0.03 4.06 0.46 3.50 0.05 -1.26 -1.87 135.00 139.91 3g3a s PRO 79 Ca -0.02 1.67 0.12 0.00 0.05 0.00 0.00 61.00 62.83 3g3a s PRO 79 Cb -0.03 -2.57 1.06 0.00 0.05 0.00 0.00 34.50 33.01 3g3a s PRO 79 CO 0.01 -0.27 2.07 0.00 0.05 0.00 0.00 177.00 178.86 3g3a h SER 81 N 0.31 0.00 -0.10 0.00 4.64 -1.92 -1.19 113.55 115.28 3g3a h SER 81 Ca 0.13 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.48 3g3a h SER 81 Cb 0.12 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.20 3g3a h SER 81 CO -0.03 0.37 0.20 0.00 -0.87 0.00 0.00 176.83 176.50 3g3a h ALA 82 N 1.63 1.52 -0.00 5.18 0.00 -1.85 -1.96 119.26 123.77 3g3a h ALA 82 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3g3a h ALA 82 Cb 0.94 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3g3a h ALA 82 CO 0.05 -0.25 -0.05 1.28 0.00 0.00 0.00 179.25 180.28 3g3a n LEU 83 N -3.41 0.30 -0.66 0.00 4.77 -0.45 -3.13 117.00 114.43 3g3a n LEU 83 Ca -0.00 0.05 0.08 0.00 -0.03 0.00 0.00 56.01 56.11 3g3a n LEU 83 Cb 0.29 -0.16 0.07 0.00 -2.33 0.00 0.00 43.42 41.30 3g3a n LEU 83 CO 0.22 0.05 0.51 0.18 -1.33 0.00 0.00 177.39 177.03 3g3a n LEU 84 N -0.98 2.38 -4.76 2.23 4.77 -0.74 -3.92 117.00 115.98 3g3a n LEU 84 Ca 0.17 -1.04 -0.34 0.00 -0.03 0.00 0.00 56.01 54.77 3g3a n LEU 84 Cb 0.24 -0.01 0.04 0.00 -2.33 0.00 0.00 43.42 41.35 3g3a n LEU 84 CO 0.22 0.44 0.77 -0.55 -1.33 0.00 0.00 177.39 176.93 3g3a s SER 85 N -1.33 5.11 0.30 -1.43 0.15 -1.18 -4.26 113.70 111.06 3g3a s SER 85 Ca 0.19 2.13 0.26 0.00 0.70 0.00 0.00 55.95 59.23 3g3a s SER 85 Cb 0.14 -2.57 0.87 0.00 -1.71 0.00 0.00 66.02 62.75 3g3a s SER 85 CO 0.20 -1.64 1.76 0.77 1.20 0.00 0.00 173.24 175.54 3g3a h SER 86 N 0.31 0.00 -3.57 5.45 4.64 -1.95 -3.39 113.55 115.05 3g3a h SER 86 Ca -0.48 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.23 3g3a h SER 86 Cb 1.26 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.24 3g3a h SER 86 CO 0.54 0.00 0.45 -0.62 -0.87 0.00 0.00 176.83 176.33 3g3a s ASP 87 N -4.84 6.54 0.00 4.97 -1.08 -1.26 -4.94 116.67 116.05 3g3a s ASP 87 Ca 0.07 0.26 0.12 0.00 -0.52 0.00 0.00 52.55 52.48 3g3a s ASP 87 Cb 0.10 -2.42 0.51 0.00 -1.46 0.00 0.00 42.92 39.65 3g3a s ASP 87 CO 0.54 -0.85 1.38 -0.38 0.52 0.00 0.00 175.17 176.37 3g3a n ILE 88 N 6.01 1.18 -0.22 4.11 -0.00 -1.26 -4.17 119.36 125.02 3g3a n ILE 88 Ca 0.04 0.30 0.01 0.00 -0.00 0.00 0.00 62.75 63.10 3g3a n ILE 88 Cb 0.48 -1.09 0.10 0.00 -0.00 0.00 0.00 39.64 39.13 3g3a n ILE 88 CO 0.00 0.00 0.00 0.74 -0.00 0.00 0.00 176.55 177.29 3g3a h THR 89 N 0.00 0.40 -0.49 1.39 2.02 -1.93 -0.31 112.91 113.99 3g3a h THR 89 Ca 0.00 -0.02 -0.06 0.00 0.77 0.00 0.00 66.41 67.10 3g3a h THR 89 Cb 0.20 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 66.93 3g3a h THR 89 CO 0.00 0.01 0.08 0.00 0.37 0.00 0.00 175.52 175.98 3g3a h ALA 90 N 1.63 0.65 -0.49 6.16 0.00 -1.83 0.25 119.26 125.63 3g3a h ALA 90 Ca 0.33 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3g3a h ALA 90 Cb 0.54 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3g3a h ALA 90 CO -0.62 0.39 0.14 0.77 0.00 0.00 0.00 179.25 179.93 3g3a h SER 91 N 0.69 0.73 -0.33 0.00 0.02 -1.62 -1.66 113.55 111.38 3g3a h SER 91 Ca 0.15 -0.22 -0.01 0.00 -0.84 0.00 0.00 61.79 60.87 3g3a h SER 91 Cb 0.40 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.73 3g3a h SER 91 CO 0.01 0.75 0.16 0.58 -1.14 0.00 0.00 176.83 177.20 3g3a h VAL 92 N 0.67 1.15 -0.69 2.27 2.07 -0.94 0.37 116.25 121.15 3g3a h VAL 92 Ca 0.16 -0.43 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 3g3a h VAL 92 Cb 0.30 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 3g3a h VAL 92 CO -0.00 0.16 0.42 0.78 0.02 0.00 0.00 177.57 178.95 3g3a h ASN 93 N 0.40 0.82 -0.08 0.57 2.35 -0.89 -1.64 115.58 117.10 3g3a h ASN 93 Ca 0.11 -0.06 -0.18 0.00 -0.55 0.00 0.00 56.30 55.62 3g3a h ASN 93 Cb 0.11 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.27 3g3a h ASN 93 CO -0.02 0.63 -0.61 0.00 -1.65 0.00 0.00 177.43 175.79 3g3a h ALA 95 N 0.80 1.08 -0.82 0.00 0.00 -0.83 -1.73 119.26 117.76 3g3a h ALA 95 Ca -0.01 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.96 3g3a h ALA 95 Cb 1.20 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.71 3g3a h ALA 95 CO 0.12 0.23 0.50 0.87 0.00 0.00 0.00 179.25 180.97 3g3a h LYS 96 N 0.90 0.87 -0.21 0.00 1.57 -1.12 -2.08 116.57 116.50 3g3a h LYS 96 Ca 0.34 -0.05 -0.11 0.00 -1.87 0.00 0.00 60.65 58.96 3g3a h LYS 96 Cb 0.14 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 3g3a h LYS 96 CO -0.16 0.58 -0.33 -0.22 -0.57 0.00 0.00 179.45 178.74 3g3a h LYS 97 N 0.90 0.45 -0.31 3.15 1.63 -1.25 -2.48 116.57 118.65 3g3a h LYS 97 Ca 0.37 -0.19 -0.11 0.00 -0.85 0.00 0.00 60.65 59.86 3g3a h LYS 97 Cb 0.20 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.80 3g3a h LYS 97 CO -0.18 0.73 -0.27 0.82 -3.45 0.00 0.00 179.45 177.09 3g3a h ILE 98 N 0.38 1.28 -0.10 2.00 2.04 -1.05 -0.60 117.51 121.46 3g3a h ILE 98 Ca 0.05 -1.36 -0.04 0.00 1.00 0.00 0.00 64.86 64.50 3g3a h ILE 98 Cb 0.77 1.33 -0.00 0.00 -0.74 0.00 0.00 36.82 38.18 3g3a h ILE 98 CO 0.06 0.44 -0.10 0.58 0.00 0.00 0.00 178.15 179.13 3g3a h VAL 99 N 0.54 1.36 0.49 1.67 2.07 -1.18 0.16 116.25 121.36 3g3a h VAL 99 Ca 0.07 -1.26 -0.01 0.00 0.82 0.00 0.00 66.70 66.32 3g3a h VAL 99 Cb 0.75 1.98 -0.02 0.00 -1.52 0.00 0.00 31.29 32.47 3g3a h VAL 99 CO 0.06 0.36 -0.50 0.28 0.02 0.00 0.00 177.57 177.78 3g3a h SER 100 N -0.17 -1.39 -0.58 0.57 0.02 -1.47 -3.32 113.55 107.21 3g3a h SER 100 Ca 0.02 0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 61.05 3g3a h SER 100 Cb 0.62 0.46 -0.03 0.00 0.14 0.00 0.00 62.40 63.59 3g3a h SER 100 CO 0.02 -0.66 0.28 0.44 -1.14 0.00 0.00 176.83 175.78 3g3a h ASP 101 N -0.99 0.79 0.00 3.07 5.19 -1.15 -3.50 116.42 119.82 3g3a h ASP 101 Ca -0.06 -0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.27 3g3a h ASP 101 Cb 0.87 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 40.17 3g3a h ASP 101 CO -0.07 0.68 0.00 0.61 -3.12 0.00 0.00 179.24 177.34 3g3a n GLY 102 N -1.12 1.74 0.00 2.75 0.00 0.57 -5.07 105.19 104.05 3g3a n GLY 102 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3g3a n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g3a n GLY 104 N 4.94 0.06 0.00 -0.02 0.00 -1.26 -4.79 105.19 104.13 3g3a n GLY 104 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 3g3a n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3g3a n MET 105 N -0.69 0.73 -0.19 1.61 2.81 -1.26 -3.59 117.12 116.53 3g3a n MET 105 Ca 0.00 0.00 0.25 0.00 -1.81 0.00 0.00 57.70 56.14 3g3a n MET 105 Cb 0.00 -1.50 0.64 0.00 -0.71 0.00 0.00 33.22 31.65 3g3a n MET 105 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 3g3a h ASN 106 N 0.00 0.15 -0.96 7.83 2.35 -1.98 -1.24 115.58 121.74 3g3a h ASN 106 Ca 0.00 0.02 0.23 0.00 -0.55 0.00 0.00 56.30 55.99 3g3a h ASN 106 Cb 0.12 -0.01 -0.07 0.00 0.05 0.00 0.00 38.32 38.41 3g3a h ASN 106 CO 0.00 0.06 0.63 0.00 -1.65 0.00 0.00 177.43 176.46 3g3a h ALA 107 N 1.59 2.23 -1.49 -0.83 0.00 -1.95 -3.35 119.26 115.45 3g3a h ALA 107 Ca 0.44 0.03 -0.57 0.00 0.00 0.00 0.00 54.91 54.80 3g3a h ALA 107 Cb 1.48 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 19.16 3g3a h ALA 107 CO -0.07 -0.55 0.87 -1.58 0.00 0.00 0.00 179.25 177.91 3g3a s TRP 108 N -5.44 2.45 0.12 0.00 0.51 -0.47 -4.92 118.94 111.19 3g3a s TRP 108 Ca -0.08 -0.16 -0.16 0.00 -2.12 0.00 0.00 56.10 53.58 3g3a s TRP 108 Cb 0.23 -4.49 -0.02 0.00 -0.81 0.00 0.00 33.47 28.38 3g3a s TRP 108 CO 0.79 -1.87 1.62 0.28 -0.51 0.00 0.00 176.95 177.26 3g3a h VAL 109 N 6.02 1.22 -0.79 4.03 2.07 -1.85 -1.78 116.25 125.18 3g3a h VAL 109 Ca -0.28 -0.75 0.02 0.00 0.82 0.00 0.00 66.70 66.51 3g3a h VAL 109 Cb 1.06 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 31.79 3g3a h VAL 109 CO 1.23 0.26 0.51 0.00 0.02 0.00 0.00 177.57 179.59 3g3a h ALA 110 N 0.94 1.02 -0.65 1.67 0.00 -1.94 -2.31 119.26 117.99 3g3a h ALA 110 Ca 0.12 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.04 3g3a h ALA 110 Cb 0.29 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 3g3a h ALA 110 CO 0.00 0.37 0.35 2.35 0.00 0.00 0.00 179.25 182.32 3g3a h TRP 111 N 1.03 0.64 -0.65 0.00 7.01 -1.83 -1.77 115.95 120.39 3g3a h TRP 111 Ca 0.30 0.02 -0.05 0.00 2.11 0.00 0.00 58.89 61.28 3g3a h TRP 111 Cb -0.06 -0.19 -0.03 0.00 -2.10 0.00 0.00 29.16 26.78 3g3a h TRP 111 CO -0.02 0.30 0.22 -0.09 -2.79 0.00 0.00 178.44 176.06 3g3a h ARG 112 N 0.65 1.00 0.00 2.65 2.43 -1.00 0.29 114.38 120.40 3g3a h ARG 112 Ca 0.29 -0.20 -0.02 0.00 -0.81 0.00 0.00 59.98 59.24 3g3a h ARG 112 Cb 0.19 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.59 3g3a h ARG 112 CO -0.19 0.86 -0.10 -0.91 -1.51 0.00 0.00 179.97 178.13 3g3a h ASN 113 N 0.93 0.00 0.00 -3.80 2.35 -1.45 -3.38 115.58 110.24 3g3a h ASN 113 Ca 0.21 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 3g3a h ASN 113 Cb 0.27 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.64 3g3a h ASN 113 CO -0.01 0.10 -0.72 0.54 -1.65 0.00 0.00 177.43 175.69 3g3a n ARG 114 N -3.14 2.17 -0.04 0.81 5.12 -0.67 -4.90 116.66 116.01 3g3a n ARG 114 Ca 0.03 0.00 -0.09 0.00 -1.93 0.00 0.00 57.85 55.86 3g3a n ARG 114 Cb 0.52 -0.86 -0.03 0.00 -1.16 0.00 0.00 32.46 30.93 3g3a n ARG 114 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3g3a n LYS 116 N -3.43 1.27 0.00 0.00 4.81 0.75 -1.69 118.16 119.86 3g3a n LYS 116 Ca -0.17 0.46 0.00 0.00 -0.87 0.00 0.00 58.31 57.73 3g3a n LYS 116 Cb 0.59 -2.14 0.00 0.00 0.02 0.00 0.00 35.03 33.50 3g3a n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3g3a n GLY 117 N 3.37 2.60 3.96 3.14 0.00 -1.26 -4.91 105.19 112.09 3g3a n GLY 117 Ca 0.22 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.98 3g3a n GLY 117 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3g3a n THR 118 N -2.00 0.00 -1.61 2.61 -2.24 -0.68 -4.94 114.28 105.42 3g3a n THR 118 Ca 0.00 -1.38 -0.41 0.00 -2.27 0.00 0.00 64.05 59.99 3g3a n THR 118 Cb 0.00 -1.12 -0.03 0.00 -2.10 0.00 0.00 70.33 67.08 3g3a n THR 118 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3g3a n ASP 119 N -3.28 3.35 0.21 3.42 2.03 -1.26 -4.73 116.55 116.29 3g3a n ASP 119 Ca 0.17 -2.77 0.15 0.00 0.52 0.00 0.00 54.79 52.86 3g3a n ASP 119 Cb 0.60 -1.45 0.67 0.00 -0.72 0.00 0.00 41.12 40.22 3g3a n ASP 119 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 3g3a h VAL 120 N 4.55 0.00 0.00 5.18 -1.51 -1.92 -1.71 116.25 120.83 3g3a h VAL 120 Ca 0.47 -0.23 -0.01 0.00 -1.23 0.00 0.00 66.70 65.69 3g3a h VAL 120 Cb 0.70 1.03 -0.00 0.00 -2.13 0.00 0.00 31.29 30.89 3g3a h VAL 120 CO 1.82 0.00 -0.05 0.06 -1.23 0.00 0.00 177.57 178.16 3g3a h GLN 121 N 0.00 0.00 -0.15 5.19 3.07 -1.89 -2.39 115.11 118.94 3g3a h GLN 121 Ca 0.00 0.00 0.04 0.00 0.09 0.00 0.00 58.65 58.78 3g3a h GLN 121 Cb 0.28 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.84 3g3a h GLN 121 CO 0.00 0.05 0.25 0.00 0.09 0.00 0.00 178.83 179.23 3g3a h ALA 122 N 1.95 1.62 0.00 0.06 0.00 -1.71 -2.44 119.26 118.73 3g3a h ALA 122 Ca -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3g3a h ALA 122 Cb 0.11 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3g3a h ALA 122 CO 0.01 -0.33 -0.02 -1.49 0.00 0.00 0.00 179.25 177.42 3g3a h TRP 123 N 0.00 0.00 -0.19 0.00 4.06 -1.65 -3.24 115.95 114.93 3g3a h TRP 123 Ca 0.07 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.02 3g3a h TRP 123 Cb 0.58 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.74 3g3a h TRP 123 CO 0.00 0.02 0.00 0.44 -3.56 0.00 0.00 178.44 175.34 3g3a n ILE 124 N -3.11 0.83 -1.93 1.49 -5.35 -0.93 -4.82 119.36 105.54 3g3a n ILE 124 Ca 0.01 -0.91 -0.38 0.00 -0.27 0.00 0.00 62.75 61.20 3g3a n ILE 124 Cb 0.38 0.61 0.03 0.00 -1.74 0.00 0.00 39.64 38.92 3g3a n ILE 124 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3g3a s ARG 125 N -0.93 3.32 -1.81 6.28 1.70 -1.17 -2.96 118.95 123.37 3g3a s ARG 125 Ca 0.14 2.09 0.00 0.00 -0.47 0.00 0.00 55.73 57.49 3g3a s ARG 125 Cb 0.07 -2.29 0.00 0.00 -0.57 0.00 0.00 34.95 32.16 3g3a s ARG 125 CO 0.10 -1.00 0.00 0.41 -1.08 0.00 0.00 175.30 173.73 3g3a n GLY 126 N 0.64 0.72 0.52 3.88 0.00 -1.26 -5.01 105.19 104.68 3g3a n GLY 126 Ca 0.09 -0.10 0.14 0.00 0.00 0.00 0.00 46.02 46.15 3g3a n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32