#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g3b s VAL 2 N 0.00 4.94 0.54 3.15 1.01 -1.26 -0.77 120.40 128.01 3g3b s VAL 2 Ca 0.00 -0.76 -0.20 0.00 0.00 0.00 0.00 61.98 61.02 3g3b s VAL 2 Cb 0.00 -4.32 -0.05 0.00 0.00 0.00 0.00 36.38 32.01 3g3b s VAL 2 CO 0.00 -0.84 1.18 -0.36 0.00 0.00 0.00 175.10 175.08 3g3b s PHE 3 N 2.42 2.59 0.52 5.22 0.40 0.10 -4.93 117.98 124.30 3g3b s PHE 3 Ca 0.12 1.52 -0.18 0.00 -0.60 0.00 0.00 56.93 57.79 3g3b s PHE 3 Cb -0.22 -3.41 -0.07 0.00 0.51 0.00 0.00 43.02 39.83 3g3b s PHE 3 CO 0.09 -1.86 1.03 0.20 0.70 0.00 0.00 175.22 175.37 3g3b s GLY 4 N -1.57 2.30 0.29 4.36 0.00 -1.26 -4.77 107.32 106.68 3g3b s GLY 4 Ca 0.72 0.44 0.03 0.00 0.00 0.00 0.00 44.72 45.92 3g3b s GLY 4 CO 0.32 0.75 1.63 -0.09 0.00 0.00 0.00 173.10 175.71 3g3b h ARG 5 N 1.12 0.16 0.03 2.90 2.43 -1.96 0.13 114.38 119.19 3g3b h ARG 5 Ca -0.48 -0.01 -0.30 0.00 -0.81 0.00 0.00 59.98 58.38 3g3b h ARG 5 Cb 1.21 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.69 3g3b h ARG 5 CO 0.59 0.11 -1.66 0.00 -1.51 0.00 0.00 179.97 177.50 3g3b h GLU 7 N 0.02 0.42 -0.39 0.00 4.81 -1.84 0.16 114.58 117.76 3g3b h GLU 7 Ca -0.27 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 58.93 3g3b h GLU 7 Cb 1.99 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 31.26 3g3b h GLU 7 CO 0.09 0.33 0.24 1.25 -0.73 0.00 0.00 179.01 180.19 3g3b h LEU 8 N 0.39 0.39 0.03 1.64 5.85 -0.76 -2.16 115.31 120.69 3g3b h LEU 8 Ca 0.11 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.86 3g3b h LEU 8 Cb 0.02 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 40.93 3g3b h LEU 8 CO -0.02 0.28 -0.22 0.00 -0.34 0.00 0.00 178.44 178.14 3g3b h ALA 9 N 1.17 -0.30 -0.60 1.25 0.00 -1.28 -0.22 119.26 119.27 3g3b h ALA 9 Ca 0.15 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.16 3g3b h ALA 9 Cb -0.01 0.37 -0.08 0.00 0.00 0.00 0.00 17.79 18.07 3g3b h ALA 9 CO -0.06 -0.72 0.17 0.00 0.00 0.00 0.00 179.25 178.64 3g3b h ALA 10 N 0.50 0.75 -0.35 0.00 0.00 -0.92 -1.13 119.26 118.09 3g3b h ALA 10 Ca 0.05 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 3g3b h ALA 10 Cb 0.42 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3g3b h ALA 10 CO -0.18 -0.26 0.11 0.00 0.00 0.00 0.00 179.25 178.92 3g3b h ALA 11 N 1.46 0.46 -0.59 0.00 0.00 -1.16 -1.87 119.26 117.56 3g3b h ALA 11 Ca 0.31 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3g3b h ALA 11 Cb 0.44 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3g3b h ALA 11 CO -0.36 0.11 0.25 0.52 0.00 0.00 0.00 179.25 179.76 3g3b h MET 12 N 0.42 0.85 0.23 0.00 2.86 -0.68 -2.20 114.93 116.41 3g3b h MET 12 Ca 0.11 -0.13 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 3g3b h MET 12 Cb 0.25 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.76 3g3b h MET 12 CO -0.00 0.69 -0.11 -0.22 1.06 0.00 0.00 176.91 178.33 3g3b h LYS 13 N 0.85 -0.29 -0.22 1.72 3.64 -0.81 -2.45 116.57 119.00 3g3b h LYS 13 Ca 0.20 0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.67 3g3b h LYS 13 Cb 0.15 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 3g3b h LYS 13 CO -0.02 -0.13 0.19 0.07 -2.27 0.00 0.00 179.45 177.28 3g3b h ARG 14 N -0.39 0.00 -0.72 1.90 0.11 -1.19 -0.22 114.38 113.86 3g3b h ARG 14 Ca -0.03 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.05 3g3b h ARG 14 Cb 0.30 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.38 3g3b h ARG 14 CO 0.05 0.00 0.00 0.72 0.10 0.00 0.00 179.97 180.84 3g3b n HIS 15 N -4.15 1.00 -2.76 4.08 8.25 -0.84 -4.92 115.22 115.88 3g3b n HIS 15 Ca 0.02 -0.36 -0.17 0.00 -0.26 0.00 0.00 57.72 56.95 3g3b n HIS 15 Cb 0.33 -0.27 0.02 0.00 1.12 0.00 0.00 29.99 31.19 3g3b n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3g3b n GLY 16 N 0.44 -0.25 0.09 -1.41 0.00 -0.10 -4.94 105.19 99.03 3g3b n GLY 16 Ca 0.14 -0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.17 3g3b n GLY 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3g3b n LEU 17 N -3.03 0.75 -4.61 0.99 4.77 -0.95 -4.49 117.00 110.43 3g3b n LEU 17 Ca -0.10 0.24 -0.43 0.00 -0.03 0.00 0.00 56.01 55.69 3g3b n LEU 17 Cb 0.60 -0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.58 3g3b n LEU 17 CO 0.34 -0.12 1.57 -0.62 -1.33 0.00 0.00 177.39 177.24 3g3b s ASP 18 N -4.88 5.92 -0.87 -1.43 2.15 -1.26 -2.11 116.67 114.20 3g3b s ASP 18 Ca 0.01 1.57 0.00 0.00 0.43 0.00 0.00 52.55 54.56 3g3b s ASP 18 Cb 0.11 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.21 3g3b s ASP 18 CO 0.78 -1.64 0.00 -3.20 -0.17 0.00 0.00 175.17 170.94 3g3b n ASN 19 N 10.08 -4.14 -4.68 -0.34 5.15 0.63 -4.86 115.26 117.11 3g3b n ASN 19 Ca 0.23 0.20 -0.42 0.00 -0.60 0.00 0.00 54.58 54.00 3g3b n ASN 19 Cb 0.46 -2.36 -0.03 0.00 -0.53 0.00 0.00 39.78 37.31 3g3b n ASN 19 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 3g3b s TYR 20 N -2.26 1.79 -1.57 1.20 5.04 -0.89 -1.44 117.35 119.23 3g3b s TYR 20 Ca 0.00 -0.16 0.00 0.00 -2.44 0.00 0.00 57.07 54.47 3g3b s TYR 20 Cb 0.00 -4.17 0.00 0.00 0.35 0.00 0.00 41.96 38.14 3g3b s TYR 20 CO 0.00 -5.01 0.00 0.54 -1.34 0.00 0.00 175.55 169.74 3g3b n ARG 21 N 6.57 -1.43 -0.73 4.97 3.00 -1.26 -2.22 116.66 125.56 3g3b n ARG 21 Ca 0.18 0.87 0.00 0.00 -0.01 0.00 0.00 57.85 58.90 3g3b n ARG 21 Cb 0.40 -5.20 0.00 0.00 0.00 0.00 0.00 32.46 27.66 3g3b n ARG 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3g3b n GLY 22 N -0.36 0.55 3.44 -0.13 0.00 -0.52 -5.04 105.19 103.13 3g3b n GLY 22 Ca -0.16 -0.78 -0.36 0.00 0.00 0.00 0.00 46.02 44.73 3g3b n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3g3b s TYR 23 N -2.00 3.06 0.70 1.61 2.02 -0.94 -4.91 117.35 116.90 3g3b s TYR 23 Ca 0.00 -0.46 -0.11 0.00 -0.37 0.00 0.00 57.07 56.13 3g3b s TYR 23 Cb 0.00 -2.16 0.01 0.00 -0.40 0.00 0.00 41.96 39.42 3g3b s TYR 23 CO 0.00 -0.30 1.07 -1.54 -1.57 0.00 0.00 175.55 173.21 3g3b s SER 24 N 1.29 5.24 0.30 2.29 1.04 -1.26 0.23 113.70 122.83 3g3b s SER 24 Ca 0.04 1.69 0.06 0.00 0.48 0.00 0.00 55.95 58.23 3g3b s SER 24 Cb -0.15 -2.51 0.77 0.00 0.10 0.00 0.00 66.02 64.23 3g3b s SER 24 CO 0.02 -1.54 1.73 0.25 0.98 0.00 0.00 173.24 174.68 3g3b h LEU 25 N -0.65 0.58 -1.93 2.42 5.85 -1.89 -1.54 115.31 118.14 3g3b h LEU 25 Ca -0.44 0.13 0.04 0.00 0.84 0.00 0.00 57.88 58.45 3g3b h LEU 25 Cb 1.22 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.28 3g3b h LEU 25 CO 0.56 0.12 0.15 1.23 -0.34 0.00 0.00 178.44 180.15 3g3b h GLY 26 N 0.57 0.10 0.97 3.75 0.00 -1.91 -1.74 103.07 104.81 3g3b h GLY 26 Ca 0.58 -0.03 0.01 0.00 0.00 0.00 0.00 47.33 47.89 3g3b h GLY 26 CO -0.46 0.03 0.39 3.43 0.00 0.00 0.00 176.54 179.93 3g3b h ASN 27 N 0.09 0.67 0.11 0.19 2.35 -1.51 -0.49 115.58 116.99 3g3b h ASN 27 Ca 0.10 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.83 3g3b h ASN 27 Cb 0.28 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.49 3g3b h ASN 27 CO -0.01 0.48 -0.05 -0.50 -1.65 0.00 0.00 177.43 175.70 3g3b h TRP 28 N 0.79 -0.13 -0.52 1.19 4.06 -1.47 -0.57 115.95 119.31 3g3b h TRP 28 Ca 0.23 -0.00 0.09 0.00 2.06 0.00 0.00 58.89 61.27 3g3b h TRP 28 Cb -0.06 0.04 -0.10 0.00 -1.00 0.00 0.00 29.16 28.03 3g3b h TRP 28 CO -0.04 0.25 -0.34 0.28 -3.56 0.00 0.00 178.44 175.03 3g3b h VAL 29 N -0.55 0.18 -0.88 1.49 2.07 -1.57 -1.21 116.25 115.79 3g3b h VAL 29 Ca -0.01 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.51 3g3b h VAL 29 Cb 0.44 0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.35 3g3b h VAL 29 CO 0.02 0.00 0.58 0.00 0.02 0.00 0.00 177.57 178.20 3g3b h ALA 31 N 1.32 0.40 -0.93 0.00 0.00 -0.72 -2.79 119.26 116.54 3g3b h ALA 31 Ca 0.32 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.14 3g3b h ALA 31 Cb -0.14 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.47 3g3b h ALA 31 CO -0.07 0.02 0.61 0.00 0.00 0.00 0.00 179.25 179.81 3g3b h ALA 32 N 0.95 1.45 0.13 0.00 0.00 -0.90 0.10 119.26 120.99 3g3b h ALA 32 Ca 0.10 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.99 3g3b h ALA 32 Cb 0.22 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3g3b h ALA 32 CO -0.01 0.43 -0.21 -0.22 0.00 0.00 0.00 179.25 179.24 3g3b h LYS 33 N 1.11 -0.40 0.00 0.00 1.63 -1.28 0.46 116.57 118.09 3g3b h LYS 33 Ca 0.39 0.03 -0.16 0.00 -0.85 0.00 0.00 60.65 60.05 3g3b h LYS 33 Cb 0.11 0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 31.81 3g3b h LYS 33 CO -0.13 -0.26 -0.76 0.74 -3.45 0.00 0.00 179.45 175.58 3g3b h PHE 34 N -0.41 0.00 0.07 1.91 0.04 -1.22 0.14 116.94 117.47 3g3b h PHE 34 Ca 0.02 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.79 3g3b h PHE 34 Cb 0.43 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.58 3g3b h PHE 34 CO -0.20 0.76 -0.04 0.93 -0.60 0.00 0.00 178.31 179.17 3g3b h GLU 35 N 0.00 -0.09 0.00 1.51 4.39 -0.64 -3.42 114.58 116.32 3g3b h GLU 35 Ca -0.01 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3g3b h GLU 35 Cb 1.53 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 30.20 3g3b h GLU 35 CO 0.10 0.29 0.00 -1.13 -1.16 0.00 0.00 179.01 177.11 3g3b n SER 36 N -4.95 0.36 -3.88 1.42 3.41 0.12 -4.83 113.62 105.27 3g3b n SER 36 Ca -0.08 -0.87 -0.31 0.00 -0.26 0.00 0.00 58.87 57.35 3g3b n SER 36 Cb 0.22 0.07 0.01 0.00 -0.26 0.00 0.00 64.21 64.25 3g3b n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3g3b n ASN 37 N -0.07 -4.37 -0.09 4.04 5.15 0.49 -2.28 115.26 118.13 3g3b n ASN 37 Ca 0.00 -0.76 -0.01 0.00 -0.60 0.00 0.00 54.58 53.21 3g3b n ASN 37 Cb 0.12 -3.52 -0.00 0.00 -0.53 0.00 0.00 39.78 35.84 3g3b n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 3g3b n PHE 38 N -4.50 0.00 -3.04 1.20 3.72 -1.22 -4.83 117.46 108.79 3g3b n PHE 38 Ca 0.04 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.01 3g3b n PHE 38 Cb 0.52 -1.10 -0.06 0.00 -0.94 0.00 0.00 39.48 37.90 3g3b n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 3g3b s ASN 39 N -2.10 6.39 0.61 4.37 2.47 -0.96 0.02 114.94 125.74 3g3b s ASN 39 Ca 0.00 -0.12 0.32 0.00 0.42 0.00 0.00 52.86 53.48 3g3b s ASN 39 Cb 0.00 -2.35 1.88 0.00 -1.45 0.00 0.00 41.25 39.32 3g3b s ASN 39 CO 0.00 -0.81 2.21 0.71 -3.72 0.00 0.00 177.10 175.49 3g3b h THR 40 N 5.89 0.37 -0.64 -5.21 1.35 -1.28 -2.91 112.91 110.48 3g3b h THR 40 Ca -0.25 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 3g3b h THR 40 Cb 1.09 0.92 0.00 0.00 -1.73 0.00 0.00 68.15 68.44 3g3b h THR 40 CO 0.92 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 176.19 3g3b n GLN 41 N -3.62 3.36 -1.86 4.72 6.02 -1.26 -3.88 117.38 120.86 3g3b n GLN 41 Ca -0.01 -2.66 -0.41 0.00 -0.01 0.00 0.00 57.00 53.91 3g3b n GLN 41 Cb 0.18 -1.79 -0.01 0.00 1.02 0.00 0.00 30.24 29.64 3g3b n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3g3b s ALA 42 N -1.66 3.67 -0.02 -1.58 0.00 -1.10 -4.86 121.76 116.20 3g3b s ALA 42 Ca 0.48 1.50 -0.05 0.00 0.00 0.00 0.00 51.96 53.88 3g3b s ALA 42 Cb 0.30 -3.61 0.01 0.00 0.00 0.00 0.00 23.12 19.81 3g3b s ALA 42 CO 0.25 -0.92 0.12 0.99 0.00 0.00 0.00 175.76 176.20 3g3b s THR 43 N -0.33 0.04 -0.19 0.00 2.01 -1.26 -1.17 115.64 114.74 3g3b s THR 43 Ca 0.59 -0.34 -0.06 0.00 0.31 0.00 0.00 61.69 62.18 3g3b s THR 43 Cb -0.46 -0.29 0.09 0.00 0.01 0.00 0.00 72.50 71.85 3g3b s THR 43 CO 0.51 -0.19 0.39 0.21 -0.69 0.00 0.00 174.62 174.85 3g3b s ASN 44 N -0.62 -0.12 -0.00 3.53 2.47 -0.80 -4.97 114.94 114.43 3g3b s ASN 44 Ca -0.07 0.86 -0.30 0.00 0.42 0.00 0.00 52.86 53.77 3g3b s ASN 44 Cb -0.04 1.23 -0.04 0.00 -1.45 0.00 0.00 41.25 40.95 3g3b s ASN 44 CO 0.01 -0.24 1.12 -0.13 -3.72 0.00 0.00 177.10 174.14 3g3b s ARG 45 N 2.58 4.45 0.31 0.43 1.81 -1.26 -0.52 118.95 126.75 3g3b s ARG 45 Ca 0.00 1.61 0.06 0.00 -1.72 0.00 0.00 55.73 55.68 3g3b s ARG 45 Cb -0.12 -3.45 -0.01 0.00 -0.45 0.00 0.00 34.95 30.91 3g3b s ARG 45 CO -0.12 -0.25 0.43 -0.80 -0.68 0.00 0.00 175.30 173.88 3g3b s ASN 46 N 1.15 6.00 0.27 0.23 0.01 0.11 -4.97 114.94 117.74 3g3b s ASN 46 Ca 0.55 -0.16 0.26 0.00 -0.71 0.00 0.00 52.86 52.80 3g3b s ASN 46 Cb -0.25 -1.34 0.83 0.00 0.41 0.00 0.00 41.25 40.90 3g3b s ASN 46 CO 0.26 -0.35 1.75 0.71 -1.51 0.00 0.00 177.10 177.96 3g3b h THR 47 N 0.97 0.00 -0.01 1.60 1.35 -1.97 -2.99 112.91 111.86 3g3b h THR 47 Ca -0.47 -0.48 0.00 0.00 -0.55 0.00 0.00 66.41 64.91 3g3b h THR 47 Cb 1.25 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 69.09 3g3b h THR 47 CO 0.55 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 174.92 3g3b n ASP 48 N -2.40 0.57 0.00 5.36 5.75 -1.26 -4.88 116.55 119.69 3g3b n ASP 48 Ca 0.04 -1.24 0.00 0.00 -0.01 0.00 0.00 54.79 53.58 3g3b n ASP 48 Cb 0.39 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.47 3g3b n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3g3b n GLY 49 N 1.04 0.45 3.96 6.12 0.00 -1.13 -5.01 105.19 110.63 3g3b n GLY 49 Ca 0.21 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.97 3g3b n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3g3b s SER 50 N -2.62 4.00 0.02 1.61 1.04 -1.26 -4.63 113.70 111.86 3g3b s SER 50 Ca 0.00 -0.05 0.01 0.00 0.48 0.00 0.00 55.95 56.39 3g3b s SER 50 Cb 0.00 -0.25 -0.02 0.00 0.10 0.00 0.00 66.02 65.85 3g3b s SER 50 CO 0.00 -2.11 -0.04 -0.89 0.98 0.00 0.00 173.24 171.17 3g3b s THR 51 N -3.40 0.24 -0.11 2.02 2.01 -1.26 -0.71 115.64 114.43 3g3b s THR 51 Ca 0.68 -0.85 -0.09 0.00 0.31 0.00 0.00 61.69 61.74 3g3b s THR 51 Cb -0.05 -0.35 -0.04 0.00 0.01 0.00 0.00 72.50 72.06 3g3b s THR 51 CO 0.47 -0.39 0.18 -1.81 -0.69 0.00 0.00 174.62 172.38 3g3b s ASP 52 N -1.31 6.44 -0.03 3.53 1.01 0.32 -0.25 116.67 126.37 3g3b s ASP 52 Ca -0.12 0.52 0.04 0.00 0.71 0.00 0.00 52.55 53.70 3g3b s ASP 52 Cb -0.09 -2.10 -0.00 0.00 1.01 0.00 0.00 42.92 41.74 3g3b s ASP 52 CO -0.00 0.36 -0.14 -0.31 0.21 0.00 0.00 175.17 175.29 3g3b s TYR 53 N -0.85 1.34 0.00 4.23 2.02 0.56 -1.91 117.35 122.74 3g3b s TYR 53 Ca 0.16 -0.34 0.00 0.00 -0.37 0.00 0.00 57.07 56.52 3g3b s TYR 53 Cb -0.13 -0.91 0.00 0.00 -0.40 0.00 0.00 41.96 40.53 3g3b s TYR 53 CO 0.05 -0.10 0.00 0.41 -1.57 0.00 0.00 175.55 174.33 3g3b n GLY 54 N 3.08 -1.87 0.26 0.71 0.00 -0.32 -1.34 105.19 105.71 3g3b n GLY 54 Ca -0.17 -1.74 0.13 0.00 0.00 0.00 0.00 46.02 44.23 3g3b n GLY 54 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3g3b h ILE 55 N 0.00 0.54 -0.24 -0.61 3.07 -1.75 -2.52 117.51 116.01 3g3b h ILE 55 Ca 0.00 -0.57 0.00 0.00 1.55 0.00 0.00 64.86 65.84 3g3b h ILE 55 Cb 0.00 1.37 0.00 0.00 -0.27 0.00 0.00 36.82 37.92 3g3b h ILE 55 CO 0.00 0.12 0.00 0.18 -1.05 0.00 0.00 178.15 177.40 3g3b n LEU 56 N -3.60 2.89 -3.93 0.16 4.77 -1.26 -3.69 117.00 112.33 3g3b n LEU 56 Ca -0.02 -2.27 -0.36 0.00 -0.03 0.00 0.00 56.01 53.33 3g3b n LEU 56 Cb 0.25 -0.26 0.01 0.00 -2.33 0.00 0.00 43.42 41.09 3g3b n LEU 56 CO 0.30 0.67 -0.17 0.00 -1.33 0.00 0.00 177.39 176.86 3g3b n GLN 57 N -0.03 -1.19 -2.42 3.23 1.13 -0.95 -4.94 117.38 112.22 3g3b n GLN 57 Ca 0.11 0.27 -0.41 0.00 -1.94 0.00 0.00 57.00 55.04 3g3b n GLN 57 Cb 0.50 -3.56 -0.04 0.00 0.11 0.00 0.00 30.24 27.25 3g3b n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3g3b s ILE 58 N -3.66 3.67 -0.18 5.09 -1.09 -0.45 -4.43 121.20 120.15 3g3b s ILE 58 Ca 0.36 1.42 -0.13 0.00 -2.23 0.00 0.00 60.65 60.07 3g3b s ILE 58 Cb -0.16 -3.91 -0.05 0.00 -1.58 0.00 0.00 42.46 36.77 3g3b s ILE 58 CO 0.92 0.23 0.25 0.21 -1.23 0.00 0.00 174.94 175.32 3g3b s ASN 59 N 0.04 6.34 0.00 3.58 3.84 -1.26 -0.32 114.94 127.17 3g3b s ASN 59 Ca 0.52 0.40 0.11 0.00 0.21 0.00 0.00 52.86 54.09 3g3b s ASN 59 Cb -0.32 -2.16 0.54 0.00 -0.55 0.00 0.00 41.25 38.77 3g3b s ASN 59 CO 0.36 0.10 1.30 -1.54 -2.79 0.00 0.00 177.10 174.53 3g3b n SER 60 N 3.73 0.00 -0.03 -4.21 3.41 0.65 -1.83 113.62 115.34 3g3b n SER 60 Ca -0.13 0.25 -0.15 0.00 -0.26 0.00 0.00 58.87 58.59 3g3b n SER 60 Cb 0.52 -0.36 -0.11 0.00 -0.26 0.00 0.00 64.21 64.00 3g3b n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3g3b h ARG 61 N 0.00 0.22 0.00 4.33 2.43 -1.83 -3.41 114.38 116.12 3g3b h ARG 61 Ca 0.00 -0.20 -0.40 0.00 -0.81 0.00 0.00 59.98 58.57 3g3b h ARG 61 Cb 0.14 0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 29.67 3g3b h ARG 61 CO 0.00 0.89 -2.48 0.91 -1.51 0.00 0.00 179.97 177.78 3g3b n TRP 62 N -4.50 0.00 -0.09 2.20 7.02 -1.18 -0.72 117.44 120.17 3g3b n TRP 62 Ca -0.09 0.00 -0.16 0.00 -1.02 0.00 0.00 57.50 56.23 3g3b n TRP 62 Cb 0.49 -0.99 -0.08 0.00 -2.42 0.00 0.00 31.31 28.31 3g3b n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 3g3b n TRP 63 N -3.42 0.00 -4.33 -5.99 7.02 -0.76 -1.13 117.44 108.84 3g3b n TRP 63 Ca -0.47 0.00 -0.18 0.00 -1.02 0.00 0.00 57.50 55.83 3g3b n TRP 63 Cb 0.97 -0.69 -0.10 0.00 -2.42 0.00 0.00 31.31 29.07 3g3b n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3g3b s ASN 65 N -3.29 5.75 0.00 0.00 2.47 -0.36 -4.41 114.94 115.10 3g3b s ASN 65 Ca 0.23 -0.67 0.23 0.00 0.42 0.00 0.00 52.86 53.07 3g3b s ASN 65 Cb 0.01 -2.05 0.44 0.00 -1.45 0.00 0.00 41.25 38.20 3g3b s ASN 65 CO 0.06 -0.28 1.40 -0.90 -3.72 0.00 0.00 177.10 173.66 3g3b n ASP 66 N 5.03 3.09 0.00 -4.21 5.75 -1.26 -1.24 116.55 123.70 3g3b n ASP 66 Ca -0.13 -1.95 0.00 0.00 -0.01 0.00 0.00 54.79 52.71 3g3b n ASP 66 Cb 0.48 -0.17 0.00 0.00 -1.03 0.00 0.00 41.12 40.40 3g3b n ASP 66 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3g3b n GLY 67 N 1.42 0.55 0.29 6.12 0.00 -1.26 -4.74 105.19 107.57 3g3b n GLY 67 Ca 0.18 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.21 3g3b n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3g3b n ARG 68 N -1.88 0.22 -3.94 1.61 1.85 -1.26 -4.98 116.66 108.28 3g3b n ARG 68 Ca 0.00 -0.98 -0.33 0.00 -1.00 0.00 0.00 57.85 55.55 3g3b n ARG 68 Cb 0.05 -0.59 -0.14 0.00 -1.05 0.00 0.00 32.46 30.72 3g3b n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 3g3b s THR 69 N -0.25 2.61 0.13 8.89 2.01 -1.26 -4.90 115.64 122.87 3g3b s THR 69 Ca 0.02 -2.29 -0.31 0.00 0.31 0.00 0.00 61.69 59.43 3g3b s THR 69 Cb 0.02 -2.87 -0.10 0.00 0.01 0.00 0.00 72.50 69.56 3g3b s THR 69 CO 0.00 -0.64 1.68 -2.84 -0.69 0.00 0.00 174.62 172.13 3g3b s PRO 70 N 0.94 4.18 0.00 4.92 0.02 -1.26 -2.71 135.00 141.09 3g3b s PRO 70 Ca 0.10 2.44 0.00 0.00 0.02 0.00 0.00 61.00 63.56 3g3b s PRO 70 Cb -0.20 -3.39 0.00 0.00 0.02 0.00 0.00 34.50 30.93 3g3b s PRO 70 CO -0.07 -0.72 0.00 0.41 -0.33 0.00 0.00 177.00 176.29 3g3b n GLY 71 N 3.97 0.44 3.77 0.52 0.00 -1.26 -5.02 105.19 107.61 3g3b n GLY 71 Ca 0.16 -0.94 -0.39 0.00 0.00 0.00 0.00 46.02 44.84 3g3b n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3g3b s SER 72 N -2.86 6.45 0.10 1.61 1.04 -1.10 -4.97 113.70 113.98 3g3b s SER 72 Ca 0.00 2.56 0.18 0.00 0.48 0.00 0.00 55.95 59.17 3g3b s SER 72 Cb 0.00 -2.63 -0.10 0.00 0.10 0.00 0.00 66.02 63.39 3g3b s SER 72 CO 0.00 -0.74 0.88 0.54 0.98 0.00 0.00 173.24 174.90 3g3b n ARG 73 N 0.22 0.62 -3.90 4.02 5.12 0.10 -4.99 116.66 117.85 3g3b n ARG 73 Ca 0.03 0.20 -0.28 0.00 -1.93 0.00 0.00 57.85 55.87 3g3b n ARG 73 Cb 0.44 -1.82 0.01 0.00 -1.16 0.00 0.00 32.46 29.94 3g3b n ARG 73 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 3g3b n ASN 74 N -2.84 -3.04 0.09 0.55 5.15 -1.05 -4.86 115.26 109.26 3g3b n ASN 74 Ca -0.07 -0.85 0.17 0.00 -0.60 0.00 0.00 54.58 53.23 3g3b n ASN 74 Cb 0.77 -3.67 0.71 0.00 -0.53 0.00 0.00 39.78 37.05 3g3b n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 3g3b h LEU 75 N -1.93 0.00 -0.19 1.20 3.38 -1.01 0.23 115.31 117.00 3g3b h LEU 75 Ca -0.60 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.37 3g3b h LEU 75 Cb 1.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.12 3g3b h LEU 75 CO 0.65 0.00 -0.17 0.00 0.09 0.00 0.00 178.44 179.01 3g3b n ASN 77 N -1.10 -2.27 -3.79 0.00 3.02 0.80 -4.99 115.26 106.93 3g3b n ASN 77 Ca 0.12 -0.82 -0.13 0.00 -0.03 0.00 0.00 54.58 53.72 3g3b n ASN 77 Cb 0.30 -4.17 -0.10 0.00 -0.61 0.00 0.00 39.78 35.21 3g3b n ASN 77 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 3g3b s ILE 78 N -3.60 0.05 0.42 2.41 -5.25 -1.26 -5.06 121.20 108.91 3g3b s ILE 78 Ca 0.11 -0.38 -0.25 0.00 -0.99 0.00 0.00 60.65 59.13 3g3b s ILE 78 Cb -0.03 -0.50 -0.08 0.00 2.95 0.00 0.00 42.46 44.80 3g3b s ILE 78 CO 0.80 -0.21 1.29 -2.84 -1.79 0.00 0.00 174.94 172.20 3g3b s PRO 79 N -0.89 3.88 0.51 0.37 0.02 -1.26 -1.23 135.00 136.41 3g3b s PRO 79 Ca -0.10 2.12 0.25 0.00 0.02 0.00 0.00 61.00 63.29 3g3b s PRO 79 Cb -0.05 -2.68 1.38 0.00 0.02 0.00 0.00 34.50 33.17 3g3b s PRO 79 CO 0.02 -0.55 2.07 0.00 -0.33 0.00 0.00 177.00 178.21 3g3b h SER 81 N 0.00 0.00 0.17 0.00 4.64 -1.91 -1.36 113.55 115.10 3g3b h SER 81 Ca -0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 3g3b h SER 81 Cb 0.30 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.39 3g3b h SER 81 CO 0.02 0.11 -0.12 0.00 -0.87 0.00 0.00 176.83 175.96 3g3b h ALA 82 N 1.89 1.63 0.00 5.18 0.00 -1.77 -1.39 119.26 124.79 3g3b h ALA 82 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3g3b h ALA 82 Cb 0.32 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3g3b h ALA 82 CO 0.01 0.16 0.00 1.28 0.00 0.00 0.00 179.25 180.70 3g3b n LEU 83 N -4.15 0.00 -0.55 0.00 4.32 -0.51 -3.04 117.00 113.06 3g3b n LEU 83 Ca -0.02 0.10 0.09 0.00 -0.02 0.00 0.00 56.01 56.15 3g3b n LEU 83 Cb 0.20 -0.10 0.03 0.00 -1.62 0.00 0.00 43.42 41.94 3g3b n LEU 83 CO 0.34 -0.00 0.39 0.18 -1.22 0.00 0.00 177.39 177.08 3g3b n LEU 84 N -1.10 2.10 -4.77 2.23 4.77 -0.53 -3.72 117.00 115.99 3g3b n LEU 84 Ca 0.21 -0.86 -0.38 0.00 -0.03 0.00 0.00 56.01 54.94 3g3b n LEU 84 Cb 0.15 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.23 3g3b n LEU 84 CO 0.20 0.38 0.89 -0.55 -1.33 0.00 0.00 177.39 176.97 3g3b s SER 85 N -1.87 6.33 0.46 -1.43 0.15 -1.17 -4.28 113.70 111.89 3g3b s SER 85 Ca 0.18 2.47 0.31 0.00 0.70 0.00 0.00 55.95 59.61 3g3b s SER 85 Cb 0.15 -2.62 1.61 0.00 -1.71 0.00 0.00 66.02 63.45 3g3b s SER 85 CO 0.37 -0.82 1.95 0.77 1.20 0.00 0.00 173.24 176.71 3g3b h SER 86 N 2.50 0.00 -3.72 5.45 4.64 -1.93 -3.38 113.55 117.12 3g3b h SER 86 Ca -0.49 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.16 3g3b h SER 86 Cb 1.24 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.15 3g3b h SER 86 CO 0.62 0.00 -0.44 -0.62 -0.87 0.00 0.00 176.83 175.52 3g3b s ASP 87 N -4.62 6.08 0.00 4.97 -1.08 -1.26 -4.99 116.67 115.78 3g3b s ASP 87 Ca -0.02 -0.35 0.19 0.00 -0.52 0.00 0.00 52.55 51.85 3g3b s ASP 87 Cb 0.09 -2.15 1.15 0.00 -1.46 0.00 0.00 42.92 40.55 3g3b s ASP 87 CO 0.33 -0.24 1.60 2.30 0.52 0.00 0.00 175.17 179.67 3g3b n ILE 88 N 5.13 0.00 -0.20 4.11 -5.35 -1.26 -4.32 119.36 117.47 3g3b n ILE 88 Ca -0.12 0.00 -0.04 0.00 -0.27 0.00 0.00 62.75 62.32 3g3b n ILE 88 Cb 0.50 -0.52 0.02 0.00 -1.74 0.00 0.00 39.64 37.90 3g3b n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 3g3b h THR 89 N 0.00 0.21 -0.21 7.28 2.02 -1.92 -1.18 112.91 119.11 3g3b h THR 89 Ca 0.00 0.00 -0.18 0.00 0.77 0.00 0.00 66.41 67.00 3g3b h THR 89 Cb 0.00 0.21 -0.00 0.00 -1.74 0.00 0.00 68.15 66.62 3g3b h THR 89 CO 0.00 0.00 -0.60 0.00 0.37 0.00 0.00 175.52 175.29 3g3b h ALA 90 N 1.14 0.53 -0.81 6.16 0.00 -1.82 -0.08 119.26 124.39 3g3b h ALA 90 Ca 0.25 -0.54 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 3g3b h ALA 90 Cb 0.54 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 3g3b h ALA 90 CO -0.67 0.69 0.43 0.77 0.00 0.00 0.00 179.25 180.47 3g3b h SER 91 N 0.54 1.01 0.07 0.00 0.02 -1.65 -1.04 113.55 112.49 3g3b h SER 91 Ca -0.00 -0.09 -0.21 0.00 -0.84 0.00 0.00 61.79 60.65 3g3b h SER 91 Cb 1.19 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.48 3g3b h SER 91 CO 0.12 0.82 -0.79 0.58 -1.14 0.00 0.00 176.83 176.42 3g3b h VAL 92 N 1.13 1.33 -0.25 2.27 2.07 -0.78 0.36 116.25 122.38 3g3b h VAL 92 Ca 0.28 -2.10 -0.12 0.00 0.82 0.00 0.00 66.70 65.58 3g3b h VAL 92 Cb 0.04 2.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.90 3g3b h VAL 92 CO -0.04 0.65 -0.35 0.78 0.02 0.00 0.00 177.57 178.62 3g3b h ASN 93 N 0.40 0.57 0.22 0.57 2.35 -0.87 -1.71 115.58 117.11 3g3b h ASN 93 Ca -0.05 -0.24 -0.21 0.00 -0.55 0.00 0.00 56.30 55.26 3g3b h ASN 93 Cb 1.40 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 39.61 3g3b h ASN 93 CO 0.15 0.88 -0.81 0.00 -1.65 0.00 0.00 177.43 176.00 3g3b h ALA 95 N 0.80 0.96 -0.41 0.00 0.00 -0.79 -1.52 119.26 118.31 3g3b h ALA 95 Ca -0.05 -0.28 0.07 0.00 0.00 0.00 0.00 54.91 54.65 3g3b h ALA 95 Cb 1.42 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.92 3g3b h ALA 95 CO 0.14 0.64 0.06 0.87 0.00 0.00 0.00 179.25 180.97 3g3b h LYS 96 N 0.95 0.18 -0.45 0.00 1.57 -1.27 0.85 116.57 118.40 3g3b h LYS 96 Ca 0.18 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.99 3g3b h LYS 96 Cb 0.46 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.69 3g3b h LYS 96 CO 0.02 0.12 0.22 -0.22 -0.57 0.00 0.00 179.45 179.01 3g3b h LYS 97 N 0.18 0.43 -0.58 3.15 1.63 -1.18 -1.65 116.57 118.55 3g3b h LYS 97 Ca 0.20 -0.03 -0.04 0.00 -0.85 0.00 0.00 60.65 59.94 3g3b h LYS 97 Cb 0.25 -0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 31.76 3g3b h LYS 97 CO -0.28 0.28 0.23 0.82 -3.45 0.00 0.00 179.45 177.05 3g3b h ILE 98 N 0.44 1.23 0.04 2.00 2.04 -0.87 -3.27 117.51 119.12 3g3b h ILE 98 Ca 0.19 -0.72 -0.23 0.00 1.00 0.00 0.00 64.86 65.10 3g3b h ILE 98 Cb 0.11 0.61 -0.00 0.00 -0.74 0.00 0.00 36.82 36.80 3g3b h ILE 98 CO -0.14 0.28 -1.03 0.58 0.00 0.00 0.00 178.15 177.84 3g3b h VAL 99 N 0.80 1.47 0.00 1.67 2.07 -0.69 -3.45 116.25 118.12 3g3b h VAL 99 Ca 0.19 -2.74 0.00 0.00 0.82 0.00 0.00 66.70 64.98 3g3b h VAL 99 Cb 0.21 2.62 0.00 0.00 -1.52 0.00 0.00 31.29 32.60 3g3b h VAL 99 CO -0.01 0.80 0.00 -1.20 0.02 0.00 0.00 177.57 177.18 3g3b n SER 100 N -3.64 0.00 0.00 0.57 7.64 -0.63 -4.32 113.62 113.24 3g3b n SER 100 Ca -0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.82 3g3b n SER 100 Cb 0.89 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.09 3g3b n SER 100 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3g3b n ASP 101 N 0.00 0.00 0.00 6.43 -0.08 -1.26 -5.08 116.55 116.56 3g3b n ASP 101 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 3g3b n ASP 101 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 3g3b n ASP 101 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3g3b n GLY 104 N 0.00 -2.31 0.00 0.27 0.00 -1.26 -5.00 105.19 96.89 3g3b n GLY 104 Ca 0.00 0.78 0.07 0.00 0.00 0.00 0.00 46.02 46.86 3g3b n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3g3b n MET 105 N 0.00 0.06 0.33 1.61 2.81 -1.26 -3.26 117.12 117.41 3g3b n MET 105 Ca 0.00 0.23 0.22 0.00 -1.81 0.00 0.00 57.70 56.34 3g3b n MET 105 Cb 0.00 -1.50 1.18 0.00 -0.71 0.00 0.00 33.22 32.19 3g3b n MET 105 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 3g3b h ASN 106 N 0.00 0.00 -0.35 7.83 -0.26 -1.98 -1.84 115.58 118.98 3g3b h ASN 106 Ca 0.00 0.00 0.02 0.00 -0.56 0.00 0.00 56.30 55.76 3g3b h ASN 106 Cb 0.21 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.45 3g3b h ASN 106 CO 0.00 0.00 0.23 0.00 -1.06 0.00 0.00 177.43 176.60 3g3b h ALA 107 N 1.96 1.83 -1.65 -0.83 0.00 -1.96 -3.37 119.26 115.24 3g3b h ALA 107 Ca 0.00 -0.02 -0.64 0.00 0.00 0.00 0.00 54.91 54.25 3g3b h ALA 107 Cb 0.04 -0.11 -0.14 0.00 0.00 0.00 0.00 17.79 17.57 3g3b h ALA 107 CO 0.00 0.14 0.83 -1.58 0.00 0.00 0.00 179.25 178.63 3g3b s TRP 108 N -5.38 2.77 0.20 0.00 0.51 -0.69 -4.93 118.94 111.42 3g3b s TRP 108 Ca -0.07 -0.84 -0.11 0.00 -2.12 0.00 0.00 56.10 52.96 3g3b s TRP 108 Cb 0.18 -4.38 0.18 0.00 -0.81 0.00 0.00 33.47 28.64 3g3b s TRP 108 CO 0.72 -1.67 1.82 0.28 -0.51 0.00 0.00 176.95 177.59 3g3b h VAL 109 N 6.05 1.04 -0.54 4.03 2.07 -1.84 -1.20 116.25 125.85 3g3b h VAL 109 Ca -0.06 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 3g3b h VAL 109 Cb 1.04 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 3g3b h VAL 109 CO 1.20 0.13 0.34 0.00 0.02 0.00 0.00 177.57 179.26 3g3b h ALA 110 N 1.30 0.69 -0.79 1.67 0.00 -1.94 0.07 119.26 120.25 3g3b h ALA 110 Ca 0.27 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.18 3g3b h ALA 110 Cb 0.08 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.59 3g3b h ALA 110 CO -0.13 0.16 0.47 2.35 0.00 0.00 0.00 179.25 182.10 3g3b h TRP 111 N 0.73 0.87 -0.06 0.00 7.01 -1.70 0.38 115.95 123.18 3g3b h TRP 111 Ca 0.20 0.03 0.02 0.00 2.11 0.00 0.00 58.89 61.24 3g3b h TRP 111 Cb -0.04 -0.28 -0.02 0.00 -2.10 0.00 0.00 29.16 26.73 3g3b h TRP 111 CO -0.03 0.43 -0.04 -0.09 -2.79 0.00 0.00 178.44 175.92 3g3b h ARG 112 N 0.86 -0.05 0.00 2.65 2.43 -0.68 0.17 114.38 119.77 3g3b h ARG 112 Ca 0.35 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.39 3g3b h ARG 112 Cb 0.19 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.73 3g3b h ARG 112 CO -0.18 -0.03 -0.64 -0.91 -1.51 0.00 0.00 179.97 176.70 3g3b h ASN 113 N -0.05 0.00 0.00 -3.80 -0.26 -0.68 -3.33 115.58 107.46 3g3b h ASN 113 Ca 0.04 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.78 3g3b h ASN 113 Cb 0.11 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.37 3g3b h ASN 113 CO -0.09 0.64 -0.99 0.54 -1.06 0.00 0.00 177.43 176.47 3g3b n ARG 114 N -3.52 1.38 -0.02 0.81 5.12 0.13 -4.86 116.66 115.71 3g3b n ARG 114 Ca -0.00 -0.03 -0.05 0.00 -1.93 0.00 0.00 57.85 55.83 3g3b n ARG 114 Cb 0.70 -1.02 -0.02 0.00 -1.16 0.00 0.00 32.46 30.96 3g3b n ARG 114 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3g3b s LYS 116 N -2.10 4.22 -1.04 0.00 2.20 -0.21 -1.59 119.74 121.22 3g3b s LYS 116 Ca -0.07 2.38 -0.01 0.00 -0.36 0.00 0.00 55.97 57.92 3g3b s LYS 116 Cb 0.03 -3.09 0.00 0.00 -1.51 0.00 0.00 37.83 33.26 3g3b s LYS 116 CO 0.09 -0.49 0.08 0.41 -0.36 0.00 0.00 175.35 175.07 3g3b n GLY 117 N 2.34 -0.12 3.54 5.54 0.00 -1.26 -4.89 105.19 110.33 3g3b n GLY 117 Ca 0.08 -0.34 -0.25 0.00 0.00 0.00 0.00 46.02 45.51 3g3b n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3g3b s THR 118 N -2.69 1.77 -1.21 2.61 -4.23 -0.62 -5.04 115.64 106.24 3g3b s THR 118 Ca 0.04 -2.05 -0.22 0.00 -1.18 0.00 0.00 61.69 58.29 3g3b s THR 118 Cb -0.02 -2.82 -0.05 0.00 1.34 0.00 0.00 72.50 70.95 3g3b s THR 118 CO 0.05 -0.07 1.89 -0.62 -0.54 0.00 0.00 174.62 175.32 3g3b s ASP 119 N -3.60 5.46 0.44 3.99 3.68 -1.26 -4.76 116.67 120.62 3g3b s ASP 119 Ca 0.34 -1.85 0.23 0.00 2.13 0.00 0.00 52.55 53.40 3g3b s ASP 119 Cb 0.08 -2.59 0.93 0.00 -1.45 0.00 0.00 42.92 39.89 3g3b s ASP 119 CO 0.16 -2.62 1.83 -0.37 0.13 0.00 0.00 175.17 174.30 3g3b h VAL 120 N 6.04 0.63 0.00 1.11 -1.51 -1.94 -2.59 116.25 117.99 3g3b h VAL 120 Ca 0.27 -1.14 0.00 0.00 -1.23 0.00 0.00 66.70 64.60 3g3b h VAL 120 Cb 0.92 1.75 0.00 0.00 -2.13 0.00 0.00 31.29 31.83 3g3b h VAL 120 CO 1.28 0.24 0.00 0.00 -1.23 0.00 0.00 177.57 177.86 3g3b n GLN 121 N -3.46 0.06 -0.14 5.19 1.13 -1.26 -1.98 117.38 116.92 3g3b n GLN 121 Ca -0.00 0.24 -0.03 0.00 -1.94 0.00 0.00 57.00 55.27 3g3b n GLN 121 Cb 0.42 -1.50 0.04 0.00 0.11 0.00 0.00 30.24 29.32 3g3b n GLN 121 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3g3b h ALA 122 N 2.50 0.40 0.00 -1.58 0.00 -1.86 -2.52 119.26 116.20 3g3b h ALA 122 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3g3b h ALA 122 Cb 0.20 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3g3b h ALA 122 CO 0.00 -0.41 0.26 -1.49 0.00 0.00 0.00 179.25 177.61 3g3b h TRP 123 N 0.08 0.00 -0.01 0.00 4.06 -1.65 0.92 115.95 119.35 3g3b h TRP 123 Ca 0.23 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.18 3g3b h TRP 123 Cb 0.34 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.50 3g3b h TRP 123 CO -0.33 0.00 -0.51 -0.89 -3.56 0.00 0.00 178.44 173.15 3g3b n ILE 124 N -2.20 0.00 -1.89 1.49 2.08 -0.96 -4.84 119.36 113.04 3g3b n ILE 124 Ca -0.01 -0.24 -0.42 0.00 0.56 0.00 0.00 62.75 62.63 3g3b n ILE 124 Cb 0.29 1.08 -0.03 0.00 -0.75 0.00 0.00 39.64 40.23 3g3b n ILE 124 CO 0.00 0.00 0.00 -0.13 0.56 0.00 0.00 176.55 176.98 3g3b s ARG 125 N -2.11 4.19 0.00 0.38 0.52 0.32 -3.33 118.95 118.91 3g3b s ARG 125 Ca 0.09 2.42 0.00 0.00 -0.52 0.00 0.00 55.73 57.72 3g3b s ARG 125 Cb 0.12 -3.13 0.00 0.00 0.52 0.00 0.00 34.95 32.45 3g3b s ARG 125 CO 0.50 -0.64 0.00 0.41 0.02 0.00 0.00 175.30 175.59 3g3b n GLY 126 N 3.78 0.56 0.00 -3.53 0.00 -1.26 -5.04 105.19 99.69 3g3b n GLY 126 Ca 0.14 -0.25 0.09 0.00 0.00 0.00 0.00 46.02 46.00 3g3b n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32