#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 5.10 0.50 3.15 1.01 -1.26 -0.82 120.40 128.08 3g3b s VAL 2 Ca 0.00 0.04 -0.20 0.00 0.00 0.00 0.00 61.98 61.82 3g3b s VAL 2 Cb 0.00 -3.92 -0.08 0.00 0.00 0.00 0.00 36.38 32.38 3g3b s VAL 2 CO 0.00 -0.21 1.04 -0.36 0.00 0.00 0.00 175.10 175.57 3g3b s PHE 3 N 2.17 3.00 0.60 5.22 0.40 0.35 -4.97 117.98 124.74 3g3b s PHE 3 Ca 0.14 1.57 -0.14 0.00 -0.60 0.00 0.00 56.93 57.89 3g3b s PHE 3 Cb -0.16 -3.06 -0.04 0.00 0.51 0.00 0.00 43.02 40.27 3g3b s PHE 3 CO 0.13 -0.88 1.04 0.20 0.70 0.00 0.00 175.22 176.41 3g3b s GLY 4 N -2.11 1.95 0.09 4.36 0.00 -1.26 -4.82 107.32 105.53 3g3b s GLY 4 Ca 0.67 0.21 -0.30 0.00 0.00 0.00 0.00 44.72 45.29 3g3b s GLY 4 CO 0.23 0.51 1.63 -0.09 0.00 0.00 0.00 173.10 175.38 3g3b h ARG 5 N 0.20 -0.67 0.13 2.90 2.43 -1.97 0.11 114.38 117.51 3g3b h ARG 5 Ca -0.46 0.05 0.02 0.00 -0.81 0.00 0.00 59.98 58.78 3g3b h ARG 5 Cb 1.21 0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 30.87 3g3b h ARG 5 CO 0.59 -0.45 -0.31 0.00 -1.51 0.00 0.00 179.97 178.29 3g3b h GLU 7 N -0.54 0.70 -0.30 0.00 4.81 -1.95 -0.42 114.58 116.88 3g3b h GLU 7 Ca 0.03 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 3g3b h GLU 7 Cb 0.56 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 3g3b h GLU 7 CO -0.17 0.46 0.06 1.25 -0.73 0.00 0.00 179.01 179.88 3g3b h LEU 8 N 0.72 0.47 -0.40 1.64 5.85 -0.37 -2.52 115.31 120.70 3g3b h LEU 8 Ca 0.47 -0.25 0.08 0.00 0.84 0.00 0.00 57.88 59.02 3g3b h LEU 8 Cb 0.61 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.45 3g3b h LEU 8 CO -0.33 0.60 -0.03 0.00 -0.34 0.00 0.00 178.44 178.34 3g3b h ALA 9 N 0.89 0.34 -0.40 1.25 0.00 -0.20 -1.44 119.26 119.70 3g3b h ALA 9 Ca 0.09 0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.16 3g3b h ALA 9 Cb 0.32 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 3g3b h ALA 9 CO 0.00 -0.41 0.21 0.00 0.00 0.00 0.00 179.25 179.05 3g3b h ALA 10 N 1.36 0.50 -0.83 0.00 0.00 -1.09 -1.71 119.26 117.50 3g3b h ALA 10 Ca 0.19 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 3g3b h ALA 10 Cb 0.28 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 3g3b h ALA 10 CO -0.35 -0.15 0.37 0.00 0.00 0.00 0.00 179.25 179.13 3g3b h ALA 11 N 1.21 1.07 0.00 0.00 0.00 -1.11 -0.90 119.26 119.52 3g3b h ALA 11 Ca 0.17 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 3g3b h ALA 11 Cb 0.07 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3g3b h ALA 11 CO -0.11 0.66 -0.39 0.52 0.00 0.00 0.00 179.25 179.93 3g3b h MET 12 N 1.19 0.00 -0.05 0.00 2.86 -1.19 -1.79 114.93 115.95 3g3b h MET 12 Ca 0.28 0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.69 3g3b h MET 12 Cb 0.16 0.00 0.02 0.00 0.06 0.00 0.00 31.60 31.83 3g3b h MET 12 CO -0.03 0.39 -0.86 -0.22 1.06 0.00 0.00 176.91 177.24 3g3b h LYS 13 N 0.00 0.67 -0.82 1.72 3.64 -0.84 -1.49 116.57 119.45 3g3b h LYS 13 Ca -0.00 -0.66 0.04 0.00 -1.27 0.00 0.00 60.65 58.76 3g3b h LYS 13 Cb 0.75 0.17 -0.05 0.00 -0.41 0.00 0.00 32.23 32.69 3g3b h LYS 13 CO 0.05 1.26 0.51 -0.09 -2.27 0.00 0.00 179.45 178.91 3g3b h ARG 14 N 0.34 0.94 -0.84 1.90 2.43 -1.09 -1.81 114.38 116.24 3g3b h ARG 14 Ca -0.09 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 58.97 3g3b h ARG 14 Cb 1.52 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 30.82 3g3b h ARG 14 CO 0.17 0.63 0.07 0.72 -1.51 0.00 0.00 179.97 180.04 3g3b n HIS 15 N -4.61 1.09 -2.80 2.20 8.25 -0.68 -4.92 115.22 113.75 3g3b n HIS 15 Ca 0.10 -0.51 -0.17 0.00 -0.26 0.00 0.00 57.72 56.88 3g3b n HIS 15 Cb 0.12 -0.36 0.03 0.00 1.12 0.00 0.00 29.99 30.90 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 0.18 -0.23 0.10 -1.41 0.00 -0.68 -4.93 105.19 98.21 3g3b n GLY 16 Ca 0.16 -0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.20 3g3b n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3g3b h LEU 17 N -1.00 0.00 -9.04 0.99 3.38 -1.48 -3.42 115.31 104.75 3g3b h LEU 17 Ca -0.40 -0.11 -0.58 0.00 0.09 0.00 0.00 57.88 56.88 3g3b h LEU 17 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 3g3b h LEU 17 CO 0.43 0.05 1.45 -0.67 0.09 0.00 0.00 178.44 179.79 3g3b n ASP 18 N -2.42 3.40 -0.73 -0.43 2.03 -1.26 -1.49 116.55 115.66 3g3b n ASP 18 Ca 0.02 0.33 -0.09 0.00 0.52 0.00 0.00 54.79 55.57 3g3b n ASP 18 Cb 0.49 -1.55 -0.03 0.00 -0.72 0.00 0.00 41.12 39.31 3g3b n ASP 18 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 3g3b n ASN 19 N 10.95 -3.98 -4.62 1.67 5.15 0.38 -4.88 115.26 119.93 3g3b n ASN 19 Ca 0.28 0.20 -0.43 0.00 -0.60 0.00 0.00 54.58 54.03 3g3b n ASN 19 Cb 0.44 -2.38 -0.03 0.00 -0.53 0.00 0.00 39.78 37.28 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 -2.35 1.86 -1.61 1.20 5.04 -0.55 -1.64 117.35 119.31 3g3b s TYR 20 Ca 0.00 0.45 -0.01 0.00 -2.44 0.00 0.00 57.07 55.07 3g3b s TYR 20 Cb 0.00 -4.03 0.00 0.00 0.35 0.00 0.00 41.96 38.29 3g3b s TYR 20 CO 0.00 -3.34 0.10 0.54 -1.34 0.00 0.00 175.55 171.51 3g3b n ARG 21 N 7.90 -2.31 0.00 4.97 1.74 -1.26 -2.68 116.66 125.02 3g3b n ARG 21 Ca 0.21 0.91 0.00 0.00 -0.77 0.00 0.00 57.85 58.19 3g3b n ARG 21 Cb 0.45 -5.59 0.00 0.00 -1.02 0.00 0.00 32.46 26.30 3g3b n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3g3b n GLY 22 N -1.06 2.28 3.60 -0.13 0.00 -0.65 -4.29 105.19 104.94 3g3b n GLY 22 Ca -0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.65 2.89 0.77 1.61 2.02 -1.09 -4.77 117.35 116.12 3g3b s TYR 23 Ca 0.00 0.70 -0.11 0.00 -0.37 0.00 0.00 57.07 57.29 3g3b s TYR 23 Cb 0.00 -4.22 0.05 0.00 -0.40 0.00 0.00 41.96 37.39 3g3b s TYR 23 CO 0.00 -1.16 1.08 -1.54 -1.57 0.00 0.00 175.55 172.36 3g3b s SER 24 N 2.31 4.64 0.32 2.29 1.04 -1.26 -0.47 113.70 122.57 3g3b s SER 24 Ca 0.45 1.60 0.09 0.00 0.48 0.00 0.00 55.95 58.57 3g3b s SER 24 Cb -0.08 -2.37 0.85 0.00 0.10 0.00 0.00 66.02 64.52 3g3b s SER 24 CO 0.28 -1.92 1.75 0.25 0.98 0.00 0.00 173.24 174.59 3g3b h LEU 25 N -1.05 0.70 -1.38 2.42 5.85 -1.90 -2.15 115.31 117.80 3g3b h LEU 25 Ca -0.45 0.11 -0.07 0.00 0.84 0.00 0.00 57.88 58.32 3g3b h LEU 25 Cb 1.24 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.26 3g3b h LEU 25 CO 0.55 0.17 -0.31 1.23 -0.34 0.00 0.00 178.44 179.75 3g3b h GLY 26 N 0.64 0.00 0.38 3.75 0.00 -1.91 -2.20 103.07 103.73 3g3b h GLY 26 Ca 0.61 0.00 0.11 0.00 0.00 0.00 0.00 47.33 48.06 3g3b h GLY 26 CO -0.42 0.00 0.41 3.43 0.00 0.00 0.00 176.54 179.96 3g3b h ASN 27 N 0.00 0.53 0.14 0.19 2.35 -1.60 0.21 115.58 117.41 3g3b h ASN 27 Ca -0.00 0.07 -0.29 0.00 -0.55 0.00 0.00 56.30 55.53 3g3b h ASN 27 Cb 0.56 -0.02 0.03 0.00 0.05 0.00 0.00 38.32 38.94 3g3b h ASN 27 CO 0.04 0.27 -1.22 -0.50 -1.65 0.00 0.00 177.43 174.38 3g3b h TRP 28 N 0.65 0.95 -0.15 1.19 4.06 -1.55 -1.16 115.95 119.94 3g3b h TRP 28 Ca 0.40 -0.62 0.01 0.00 2.06 0.00 0.00 58.89 60.74 3g3b h TRP 28 Cb 0.48 -0.07 -0.01 0.00 -1.00 0.00 0.00 29.16 28.55 3g3b h TRP 28 CO -0.09 1.46 0.07 0.28 -3.56 0.00 0.00 178.44 176.60 3g3b h VAL 29 N 0.17 0.99 -0.41 1.49 2.07 -1.42 -2.17 116.25 116.97 3g3b h VAL 29 Ca -0.19 -0.05 0.02 0.00 0.82 0.00 0.00 66.70 67.30 3g3b h VAL 29 Cb 1.91 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 32.48 3g3b h VAL 29 CO 0.23 0.03 0.23 0.00 0.02 0.00 0.00 177.57 178.08 3g3b h ALA 31 N 1.19 1.15 -0.64 0.00 0.00 -1.08 -3.03 119.26 116.84 3g3b h ALA 31 Ca 0.16 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 3g3b h ALA 31 Cb 0.02 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3g3b h ALA 31 CO -0.08 0.40 0.07 0.00 0.00 0.00 0.00 179.25 179.64 3g3b h ALA 32 N 1.36 0.85 -0.51 0.00 0.00 -1.07 -2.06 119.26 117.84 3g3b h ALA 32 Ca 0.35 -0.28 0.10 0.00 0.00 0.00 0.00 54.91 55.08 3g3b h ALA 32 Cb 0.01 -0.24 -0.10 0.00 0.00 0.00 0.00 17.79 17.46 3g3b h ALA 32 CO -0.12 0.64 -0.20 -0.22 0.00 0.00 0.00 179.25 179.35 3g3b h LYS 33 N 0.99 -0.08 0.00 0.00 1.63 -1.34 -0.92 116.57 116.85 3g3b h LYS 33 Ca 0.19 0.01 -0.12 0.00 -0.85 0.00 0.00 60.65 59.88 3g3b h LYS 33 Cb 0.48 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.11 3g3b h LYS 33 CO 0.02 -0.06 -0.55 0.74 -3.45 0.00 0.00 179.45 176.15 3g3b h PHE 34 N -0.09 0.00 0.00 1.91 0.04 -1.35 -1.06 116.94 116.39 3g3b h PHE 34 Ca 0.24 0.00 -0.20 0.00 2.80 0.00 0.00 57.97 60.81 3g3b h PHE 34 Cb 0.46 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.62 3g3b h PHE 34 CO -0.49 0.55 -0.79 0.93 -0.60 0.00 0.00 178.31 177.91 3g3b h GLU 35 N 0.00 0.53 0.00 1.51 4.39 -1.23 -3.42 114.58 116.36 3g3b h GLU 35 Ca -0.01 -0.58 0.00 0.00 0.34 0.00 0.00 59.36 59.12 3g3b h GLU 35 Cb 1.42 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 30.23 3g3b h GLU 35 CO 0.07 1.20 0.00 -1.13 -1.16 0.00 0.00 179.01 177.99 3g3b n SER 36 N -4.06 0.00 -3.20 1.42 3.41 -0.37 -4.80 113.62 106.02 3g3b n SER 36 Ca -0.11 -1.00 -0.22 0.00 -0.26 0.00 0.00 58.87 57.28 3g3b n SER 36 Cb 0.76 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.72 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 0.00 -4.37 -0.17 4.04 5.15 -0.40 -2.16 115.26 117.35 3g3b n ASN 37 Ca 0.00 -0.31 -0.02 0.00 -0.60 0.00 0.00 54.58 53.64 3g3b n ASN 37 Cb 0.25 -3.59 -0.01 0.00 -0.53 0.00 0.00 39.78 35.90 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 -4.05 0.00 -3.36 1.20 3.72 -1.22 -4.80 117.46 108.96 3g3b n PHE 38 Ca -0.05 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.94 3g3b n PHE 38 Cb 0.57 -0.79 -0.09 0.00 -0.94 0.00 0.00 39.48 38.23 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 -2.42 6.21 0.44 4.37 2.47 -0.92 -0.50 114.94 124.59 3g3b s ASN 39 Ca 0.00 -0.22 0.22 0.00 0.42 0.00 0.00 52.86 53.28 3g3b s ASN 39 Cb 0.00 -2.22 0.96 0.00 -1.45 0.00 0.00 41.25 38.55 3g3b s ASN 39 CO 0.00 -0.39 1.86 0.71 -3.72 0.00 0.00 177.10 175.56 3g3b h THR 40 N 5.57 0.71 -0.16 -5.21 1.35 -1.30 -3.01 112.91 110.86 3g3b h THR 40 Ca -0.29 -1.11 0.00 0.00 -0.55 0.00 0.00 66.41 64.46 3g3b h THR 40 Cb 1.14 1.70 0.00 0.00 -1.73 0.00 0.00 68.15 69.26 3g3b h THR 40 CO 0.72 0.25 0.00 0.00 -0.25 0.00 0.00 175.52 176.24 3g3b n GLN 41 N -3.55 1.77 -1.72 4.72 6.02 -1.26 -3.74 117.38 119.63 3g3b n GLN 41 Ca -0.01 -1.16 -0.43 0.00 -0.01 0.00 0.00 57.00 55.40 3g3b n GLN 41 Cb 0.40 -1.41 -0.01 0.00 1.02 0.00 0.00 30.24 30.24 3g3b n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3g3b n ALA 42 N 0.39 1.67 -3.50 -1.58 0.00 -1.14 -4.81 120.51 111.53 3g3b n ALA 42 Ca 0.17 0.37 -0.12 0.00 0.00 0.00 0.00 53.44 53.85 3g3b n ALA 42 Cb 0.35 -2.32 -0.11 0.00 0.00 0.00 0.00 19.45 17.37 3g3b n ALA 42 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3g3b s THR 43 N -0.73 -0.02 -0.05 0.00 2.01 -1.26 -0.78 115.64 114.81 3g3b s THR 43 Ca 0.59 0.07 -0.02 0.00 0.31 0.00 0.00 61.69 62.63 3g3b s THR 43 Cb -0.55 -0.49 0.03 0.00 0.01 0.00 0.00 72.50 71.50 3g3b s THR 43 CO 0.58 0.03 0.07 0.21 -0.69 0.00 0.00 174.62 174.82 3g3b s ASN 44 N 0.83 1.14 -0.05 3.53 2.47 -0.55 -4.97 114.94 117.34 3g3b s ASN 44 Ca -0.05 0.08 -0.30 0.00 0.42 0.00 0.00 52.86 53.01 3g3b s ASN 44 Cb -0.06 -0.09 -0.03 0.00 -1.45 0.00 0.00 41.25 39.62 3g3b s ASN 44 CO -0.06 -0.25 1.07 -0.13 -3.72 0.00 0.00 177.10 174.01 3g3b s ARG 45 N 2.18 4.43 0.28 0.43 1.81 -1.26 0.00 118.95 126.83 3g3b s ARG 45 Ca 0.05 1.51 0.06 0.00 -1.72 0.00 0.00 55.73 55.63 3g3b s ARG 45 Cb -0.12 -3.51 -0.02 0.00 -0.45 0.00 0.00 34.95 30.85 3g3b s ARG 45 CO -0.04 -0.29 0.38 -0.80 -0.68 0.00 0.00 175.30 173.88 3g3b s ASN 46 N 1.18 6.06 0.44 0.23 0.01 -0.05 -4.97 114.94 117.85 3g3b s ASN 46 Ca 0.52 -0.09 0.29 0.00 -0.71 0.00 0.00 52.86 52.88 3g3b s ASN 46 Cb -0.22 -1.54 1.07 0.00 0.41 0.00 0.00 41.25 40.98 3g3b s ASN 46 CO 0.22 -0.22 1.85 0.71 -1.51 0.00 0.00 177.10 178.15 3g3b h THR 47 N 1.10 0.00 -0.00 1.60 1.35 -1.97 -3.01 112.91 111.98 3g3b h THR 47 Ca -0.49 -0.53 0.00 0.00 -0.55 0.00 0.00 66.41 64.84 3g3b h THR 47 Cb 1.24 1.47 0.00 0.00 -1.73 0.00 0.00 68.15 69.13 3g3b h THR 47 CO 0.58 0.00 -0.02 -0.90 -0.25 0.00 0.00 175.52 174.93 3g3b n ASP 48 N -2.84 0.28 0.00 5.36 5.75 -1.26 -4.89 116.55 118.96 3g3b n ASP 48 Ca 0.02 -0.84 0.00 0.00 -0.01 0.00 0.00 54.79 53.96 3g3b n ASP 48 Cb 0.33 -0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.36 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 1.12 2.26 3.93 6.12 0.00 -1.14 -5.03 105.19 112.46 3g3b n GLY 49 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.40 3.67 -0.00 1.61 1.04 -1.26 -4.53 113.70 112.83 3g3b s SER 50 Ca 0.00 0.34 -0.06 0.00 0.48 0.00 0.00 55.95 56.71 3g3b s SER 50 Cb 0.00 -0.55 0.00 0.00 0.10 0.00 0.00 66.02 65.57 3g3b s SER 50 CO 0.00 -2.38 0.12 -0.89 0.98 0.00 0.00 173.24 171.06 3g3b s THR 51 N -3.70 0.08 -0.11 2.02 2.01 -1.26 -0.87 115.64 113.80 3g3b s THR 51 Ca 0.70 -0.62 -0.08 0.00 0.31 0.00 0.00 61.69 61.99 3g3b s THR 51 Cb -0.06 -0.38 -0.04 0.00 0.01 0.00 0.00 72.50 72.03 3g3b s THR 51 CO 0.51 -0.34 0.18 -1.81 -0.69 0.00 0.00 174.62 172.47 3g3b s ASP 52 N -1.19 6.44 -0.07 3.53 1.01 0.10 -1.31 116.67 125.18 3g3b s ASP 52 Ca -0.13 0.52 0.03 0.00 0.71 0.00 0.00 52.55 53.68 3g3b s ASP 52 Cb -0.07 -2.10 0.01 0.00 1.01 0.00 0.00 42.92 41.77 3g3b s ASP 52 CO 0.01 0.37 -0.16 -0.31 0.21 0.00 0.00 175.17 175.30 3g3b s TYR 53 N -0.90 1.78 0.00 4.23 2.02 0.13 -1.48 117.35 123.13 3g3b s TYR 53 Ca 0.16 -0.67 0.00 0.00 -0.37 0.00 0.00 57.07 56.19 3g3b s TYR 53 Cb -0.13 -1.25 0.00 0.00 -0.40 0.00 0.00 41.96 40.18 3g3b s TYR 53 CO 0.05 -0.31 0.00 0.41 -1.57 0.00 0.00 175.55 174.13 3g3b n GLY 54 N 3.68 -2.46 0.33 0.71 0.00 0.04 -1.52 105.19 105.97 3g3b n GLY 54 Ca -0.21 -1.77 0.19 0.00 0.00 0.00 0.00 46.02 44.22 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 0.20 0.00 -0.61 3.07 -1.71 -1.42 117.51 117.04 3g3b h ILE 55 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 3g3b h ILE 55 Cb 0.00 0.87 0.00 0.00 -0.27 0.00 0.00 36.82 37.42 3g3b h ILE 55 CO 0.00 0.00 -0.03 0.18 -1.05 0.00 0.00 178.15 177.25 3g3b n LEU 56 N -3.34 1.73 -3.90 0.16 4.77 -1.26 -3.85 117.00 111.30 3g3b n LEU 56 Ca -0.01 -2.00 -0.28 0.00 -0.03 0.00 0.00 56.01 53.70 3g3b n LEU 56 Cb 0.23 -0.12 -0.01 0.00 -2.33 0.00 0.00 43.42 41.19 3g3b n LEU 56 CO 0.22 0.48 -0.20 0.00 -1.33 0.00 0.00 177.39 176.56 3g3b n GLN 57 N -0.67 -2.71 -2.38 3.23 1.13 -0.54 -4.90 117.38 110.54 3g3b n GLN 57 Ca 0.04 0.40 -0.41 0.00 -1.94 0.00 0.00 57.00 55.09 3g3b n GLN 57 Cb 0.41 -4.35 -0.03 0.00 0.11 0.00 0.00 30.24 26.39 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 -3.84 3.66 0.18 5.09 -1.09 -0.58 -4.33 121.20 120.29 3g3b s ILE 58 Ca 0.12 1.35 -0.25 0.00 -2.23 0.00 0.00 60.65 59.65 3g3b s ILE 58 Cb -0.05 -3.86 -0.08 0.00 -1.58 0.00 0.00 42.46 36.89 3g3b s ILE 58 CO 0.89 0.19 0.78 0.21 -1.23 0.00 0.00 174.94 175.78 3g3b s ASN 59 N 0.31 7.34 0.00 3.58 3.84 -1.26 0.21 114.94 128.96 3g3b s ASN 59 Ca 0.54 1.63 0.28 0.00 0.21 0.00 0.00 52.86 55.52 3g3b s ASN 59 Cb -0.32 -2.49 1.13 0.00 -0.55 0.00 0.00 41.25 39.01 3g3b s ASN 59 CO 0.35 0.17 1.79 -1.54 -2.79 0.00 0.00 177.10 175.08 3g3b n SER 60 N 1.41 0.86 -0.01 -4.21 3.41 -0.43 -2.08 113.62 112.58 3g3b n SER 60 Ca -0.05 -0.97 -0.17 0.00 -0.26 0.00 0.00 58.87 57.42 3g3b n SER 60 Cb 0.49 0.01 -0.10 0.00 -0.26 0.00 0.00 64.21 64.35 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 1.19 0.41 0.00 4.33 2.43 -1.84 -3.43 114.38 117.47 3g3b h ARG 61 Ca 0.00 -0.40 -0.27 0.00 -0.81 0.00 0.00 59.98 58.50 3g3b h ARG 61 Cb 0.40 0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 30.00 3g3b h ARG 61 CO 0.00 1.06 -2.04 0.91 -1.51 0.00 0.00 179.97 178.39 3g3b n TRP 62 N -4.26 0.00 -0.04 2.20 7.02 -1.23 -1.84 117.44 119.29 3g3b n TRP 62 Ca -0.10 0.00 -0.05 0.00 -1.02 0.00 0.00 57.50 56.34 3g3b n TRP 62 Cb 0.63 -0.72 -0.05 0.00 -2.42 0.00 0.00 31.31 28.75 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 -2.82 0.00 -4.15 -5.99 7.02 -0.88 -0.94 117.44 109.68 3g3b n TRP 63 Ca -0.29 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.09 3g3b n TRP 63 Cb 0.91 -0.34 -0.10 0.00 -2.42 0.00 0.00 31.31 29.36 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 -3.04 4.09 0.00 0.00 2.47 -0.46 -4.42 114.94 113.58 3g3b s ASN 65 Ca 0.20 -0.34 0.07 0.00 0.42 0.00 0.00 52.86 53.21 3g3b s ASN 65 Cb 0.07 -1.65 0.12 0.00 -1.45 0.00 0.00 41.25 38.34 3g3b s ASN 65 CO -0.00 0.11 0.93 -0.90 -3.72 0.00 0.00 177.10 173.52 3g3b n ASP 66 N 3.88 2.04 -0.30 -4.21 5.75 -1.26 0.11 116.55 122.57 3g3b n ASP 66 Ca -0.18 -1.63 -0.04 0.00 -0.01 0.00 0.00 54.79 52.93 3g3b n ASP 66 Cb 0.52 -0.07 -0.02 0.00 -1.03 0.00 0.00 41.12 40.53 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 0.25 0.54 0.04 6.12 0.00 -1.26 -4.78 105.19 106.09 3g3b n GLY 67 Ca 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.05 0.00 -3.86 1.61 1.85 -1.26 -4.98 116.66 108.97 3g3b n ARG 68 Ca -0.04 -0.46 -0.34 0.00 -1.00 0.00 0.00 57.85 56.01 3g3b n ARG 68 Cb 0.36 -0.42 -0.13 0.00 -1.05 0.00 0.00 32.46 31.22 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 0.00 2.96 0.42 8.89 2.01 -1.26 -4.85 115.64 123.81 3g3b s THR 69 Ca 0.00 -2.18 -0.26 0.00 0.31 0.00 0.00 61.69 59.57 3g3b s THR 69 Cb 0.00 -3.07 -0.08 0.00 0.01 0.00 0.00 72.50 69.35 3g3b s THR 69 CO 0.00 -0.67 1.33 -2.16 -0.69 0.00 0.00 174.62 172.43 3g3b s PRO 70 N 1.03 3.88 -0.03 4.92 0.04 -1.26 -2.85 135.00 140.73 3g3b s PRO 70 Ca 0.09 2.21 0.00 0.00 0.04 0.00 0.00 61.00 63.34 3g3b s PRO 70 Cb -0.22 -2.71 0.00 0.00 0.04 0.00 0.00 34.50 31.61 3g3b s PRO 70 CO -0.05 -0.58 0.00 0.41 0.04 0.00 0.00 177.00 176.81 3g3b n GLY 71 N 0.64 0.34 3.78 0.56 0.00 -1.26 -5.01 105.19 104.24 3g3b n GLY 71 Ca 0.04 -0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.03 5.23 -0.01 1.61 1.04 -1.13 -4.99 113.70 113.42 3g3b s SER 72 Ca 0.00 1.96 0.07 0.00 0.48 0.00 0.00 55.95 58.46 3g3b s SER 72 Cb 0.00 -2.55 -0.11 0.00 0.10 0.00 0.00 66.02 63.46 3g3b s SER 72 CO 0.00 -1.54 0.18 0.54 0.98 0.00 0.00 173.24 173.40 3g3b n ARG 73 N -2.37 0.79 -4.08 4.02 5.12 -0.76 -5.02 116.66 114.35 3g3b n ARG 73 Ca 0.10 -0.06 -0.31 0.00 -1.93 0.00 0.00 57.85 55.65 3g3b n ARG 73 Cb 0.52 -1.14 -0.02 0.00 -1.16 0.00 0.00 32.46 30.66 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 -1.69 -1.84 0.33 0.55 5.15 -1.15 -4.81 115.26 111.81 3g3b n ASN 74 Ca -0.01 -1.00 0.21 0.00 -0.60 0.00 0.00 54.58 53.18 3g3b n ASN 74 Cb 0.18 -2.94 1.12 0.00 -0.53 0.00 0.00 39.78 37.62 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 -1.71 0.00 0.00 1.20 3.38 -1.07 0.11 115.31 117.23 3g3b h LEU 75 Ca -0.61 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.36 3g3b h LEU 75 Cb 1.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.13 3g3b h LEU 75 CO 0.70 0.00 -1.31 0.00 0.09 0.00 0.00 178.44 177.92 3g3b n ASN 77 N -2.04 -3.12 -4.14 0.00 2.85 0.40 -4.98 115.26 104.22 3g3b n ASN 77 Ca 0.00 -0.57 -0.13 0.00 -0.11 0.00 0.00 54.58 53.77 3g3b n ASN 77 Cb 0.47 -4.86 -0.11 0.00 1.24 0.00 0.00 39.78 36.53 3g3b n ASN 77 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 3g3b s ILE 78 N -3.33 0.78 0.49 -1.44 -5.25 -1.26 -5.06 121.20 106.14 3g3b s ILE 78 Ca 0.15 -1.56 -0.22 0.00 -0.99 0.00 0.00 60.65 58.03 3g3b s ILE 78 Cb -0.06 -1.23 -0.07 0.00 2.95 0.00 0.00 42.46 44.05 3g3b s ILE 78 CO 0.69 -0.58 1.18 -2.84 -1.79 0.00 0.00 174.94 171.61 3g3b s PRO 79 N -2.70 3.57 0.46 0.37 0.02 -1.26 -1.35 135.00 134.11 3g3b s PRO 79 Ca 0.03 1.80 0.12 0.00 0.02 0.00 0.00 61.00 62.97 3g3b s PRO 79 Cb -0.03 -2.29 1.06 0.00 0.02 0.00 0.00 34.50 33.27 3g3b s PRO 79 CO -0.01 -0.72 2.08 0.00 -0.33 0.00 0.00 177.00 178.02 3g3b h SER 81 N 0.20 0.00 0.12 0.00 4.64 -1.91 0.05 113.55 116.65 3g3b h SER 81 Ca 0.05 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3g3b h SER 81 Cb 0.05 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.14 3g3b h SER 81 CO -0.01 0.25 -0.01 0.00 -0.87 0.00 0.00 176.83 176.19 3g3b h ALA 82 N 1.75 1.13 -0.00 5.18 0.00 -1.71 -1.94 119.26 123.66 3g3b h ALA 82 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3g3b h ALA 82 Cb 0.50 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3g3b h ALA 82 CO 0.03 0.01 -0.06 1.28 0.00 0.00 0.00 179.25 180.51 3g3b n LEU 83 N -3.29 0.43 -0.19 0.00 4.32 0.00 -3.54 117.00 114.73 3g3b n LEU 83 Ca -0.03 -0.02 0.07 0.00 -0.02 0.00 0.00 56.01 56.02 3g3b n LEU 83 Cb 0.11 -0.13 -0.04 0.00 -1.62 0.00 0.00 43.42 41.74 3g3b n LEU 83 CO 0.23 0.08 0.12 0.18 -1.22 0.00 0.00 177.39 176.78 3g3b n LEU 84 N -0.87 1.19 -4.61 2.23 4.77 -0.73 -3.83 117.00 115.15 3g3b n LEU 84 Ca 0.17 -0.65 -0.36 0.00 -0.03 0.00 0.00 56.01 55.15 3g3b n LEU 84 Cb 0.25 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.42 3g3b n LEU 84 CO 0.22 0.25 0.50 -0.24 -1.33 0.00 0.00 177.39 176.79 3g3b n SER 85 N -0.68 0.37 0.17 -1.43 2.88 -1.22 -4.09 113.62 109.62 3g3b n SER 85 Ca 0.05 0.66 0.13 0.00 -1.33 0.00 0.00 58.87 58.38 3g3b n SER 85 Cb 0.28 -1.40 0.57 0.00 -0.75 0.00 0.00 64.21 62.92 3g3b n SER 85 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 3g3b h SER 86 N -0.27 0.00 -3.87 -3.46 4.64 -1.94 -3.41 113.55 105.24 3g3b h SER 86 Ca -0.47 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.21 3g3b h SER 86 Cb 1.33 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.25 3g3b h SER 86 CO 0.47 0.00 -0.50 -0.62 -0.87 0.00 0.00 176.83 175.31 3g3b s ASP 87 N -4.56 6.04 0.00 4.97 3.68 -1.26 -4.95 116.67 120.59 3g3b s ASP 87 Ca 0.03 -0.03 0.31 0.00 2.13 0.00 0.00 52.55 54.98 3g3b s ASP 87 Cb 0.09 -2.13 1.73 0.00 -1.45 0.00 0.00 42.92 41.16 3g3b s ASP 87 CO 0.41 -0.08 2.13 2.30 0.13 0.00 0.00 175.17 180.06 3g3b n ILE 88 N 5.07 0.01 -0.16 4.11 -5.35 -1.26 -4.39 119.36 117.39 3g3b n ILE 88 Ca -0.14 0.00 -0.05 0.00 -0.27 0.00 0.00 62.75 62.29 3g3b n ILE 88 Cb 0.52 -0.52 0.01 0.00 -1.74 0.00 0.00 39.64 37.91 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 0.26 -0.74 7.28 2.02 -1.94 -0.63 112.91 119.16 3g3b h THR 89 Ca 0.00 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.12 3g3b h THR 89 Cb 0.10 0.26 -0.03 0.00 -1.74 0.00 0.00 68.15 66.73 3g3b h THR 89 CO 0.00 0.00 0.24 0.00 0.37 0.00 0.00 175.52 176.13 3g3b h ALA 90 N 1.02 0.97 -1.00 6.16 0.00 -1.83 -1.05 119.26 123.53 3g3b h ALA 90 Ca 0.21 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.92 3g3b h ALA 90 Cb 0.52 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 3g3b h ALA 90 CO -0.59 0.65 0.66 0.77 0.00 0.00 0.00 179.25 180.74 3g3b h SER 91 N 1.10 1.14 -0.22 0.00 0.02 -1.54 -1.05 113.55 112.99 3g3b h SER 91 Ca 0.24 -0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 61.12 3g3b h SER 91 Cb 0.29 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 3g3b h SER 91 CO -0.01 0.82 -0.04 0.58 -1.14 0.00 0.00 176.83 177.04 3g3b h VAL 92 N 1.34 1.28 -0.37 2.27 2.07 -0.73 -0.06 116.25 122.05 3g3b h VAL 92 Ca 0.37 -0.99 -0.08 0.00 0.82 0.00 0.00 66.70 66.81 3g3b h VAL 92 Cb -0.14 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 3g3b h VAL 92 CO -0.08 0.30 -0.12 0.78 0.02 0.00 0.00 177.57 178.47 3g3b h ASN 93 N 0.14 0.64 -0.31 0.57 2.35 -1.06 0.89 115.58 118.81 3g3b h ASN 93 Ca 0.06 -0.18 -0.15 0.00 -0.55 0.00 0.00 56.30 55.47 3g3b h ASN 93 Cb 0.47 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.67 3g3b h ASN 93 CO 0.02 0.79 -0.40 0.00 -1.65 0.00 0.00 177.43 176.19 3g3b h ALA 95 N 0.70 1.52 -0.93 0.00 0.00 -0.59 -1.62 119.26 118.34 3g3b h ALA 95 Ca 0.04 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3g3b h ALA 95 Cb 0.99 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.57 3g3b h ALA 95 CO 0.09 0.14 0.60 0.87 0.00 0.00 0.00 179.25 180.95 3g3b h LYS 96 N 0.92 1.24 0.25 0.00 1.57 -0.51 -0.94 116.57 119.09 3g3b h LYS 96 Ca 0.51 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 59.19 3g3b h LYS 96 Cb 0.58 -0.27 0.00 0.00 0.08 0.00 0.00 32.23 32.62 3g3b h LYS 96 CO -0.30 0.83 -0.12 -0.22 -0.57 0.00 0.00 179.45 179.08 3g3b h LYS 97 N 1.27 -0.33 -0.59 3.15 1.63 -0.82 -3.23 116.57 117.66 3g3b h LYS 97 Ca 0.34 0.02 0.11 0.00 -0.85 0.00 0.00 60.65 60.27 3g3b h LYS 97 Cb -0.11 0.07 -0.08 0.00 -0.60 0.00 0.00 32.23 31.51 3g3b h LYS 97 CO -0.07 -0.13 0.11 0.82 -3.45 0.00 0.00 179.45 176.74 3g3b h ILE 98 N -0.47 0.64 -1.30 2.00 2.04 -1.26 -3.35 117.51 115.81 3g3b h ILE 98 Ca -0.03 -0.08 -0.61 0.00 1.00 0.00 0.00 64.86 65.13 3g3b h ILE 98 Cb 0.36 0.38 -0.11 0.00 -0.74 0.00 0.00 36.82 36.70 3g3b h ILE 98 CO 0.06 0.04 1.41 -0.69 0.00 0.00 0.00 178.15 178.97 3g3b s VAL 99 N -6.12 4.01 -0.07 1.67 1.01 -0.36 -4.80 120.40 115.74 3g3b s VAL 99 Ca -0.13 -0.81 -0.17 0.00 0.00 0.00 0.00 61.98 60.87 3g3b s VAL 99 Cb 0.18 -5.02 -0.30 0.00 0.00 0.00 0.00 36.38 31.24 3g3b s VAL 99 CO 0.74 -1.89 0.71 0.28 0.00 0.00 0.00 175.10 174.94 3g3b h SER 100 N 9.70 0.48 -3.57 3.32 0.02 -1.78 -3.46 113.55 118.25 3g3b h SER 100 Ca 0.18 -0.90 -0.23 0.00 -0.84 0.00 0.00 61.79 60.00 3g3b h SER 100 Cb 1.01 -0.16 -0.05 0.00 0.14 0.00 0.00 62.40 63.35 3g3b h SER 100 CO 1.39 1.58 -0.18 -0.90 -1.14 0.00 0.00 176.83 177.58 3g3b n ASP 101 N -3.93 1.83 0.00 3.07 5.68 -1.26 -5.03 116.55 116.91 3g3b n ASP 101 Ca -0.21 -1.82 0.11 0.00 -0.50 0.00 0.00 54.79 52.37 3g3b n ASP 101 Cb 0.91 0.25 0.61 0.00 -1.14 0.00 0.00 41.12 41.75 3g3b n ASP 101 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3g3b n GLY 102 N 2.01 -0.79 0.67 6.12 0.00 -1.26 -2.40 105.19 109.54 3g3b n GLY 102 Ca -0.05 -0.12 0.07 0.00 0.00 0.00 0.00 46.02 45.91 3g3b n GLY 102 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3g3b n ASN 103 N -1.10 2.76 0.24 1.61 0.23 -1.26 -4.83 115.26 112.91 3g3b n ASN 103 Ca 0.14 -1.85 0.16 0.00 -0.53 0.00 0.00 54.58 52.50 3g3b n ASN 103 Cb 0.11 -0.18 0.69 0.00 -2.08 0.00 0.00 39.78 38.32 3g3b n ASN 103 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 3g3b h GLY 104 N 2.43 0.00 2.00 4.83 0.00 -1.83 -1.84 103.07 108.66 3g3b h GLY 104 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3g3b h GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 176.54 177.57 3g3b n MET 105 N -2.85 0.04 0.01 4.80 2.81 -1.26 -2.78 117.12 117.88 3g3b n MET 105 Ca 0.01 0.18 0.01 0.00 -1.81 0.00 0.00 57.70 56.08 3g3b n MET 105 Cb 0.25 -1.56 0.04 0.00 -0.71 0.00 0.00 33.22 31.25 3g3b n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3g3b n ASN 106 N -1.63 0.04 0.09 7.83 5.03 -0.69 -1.96 115.26 123.96 3g3b n ASN 106 Ca 0.05 0.41 0.01 0.00 0.87 0.00 0.00 54.58 55.92 3g3b n ASN 106 Cb 0.25 -0.41 0.33 0.00 -1.02 0.00 0.00 39.78 38.92 3g3b n ASN 106 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3g3b h ALA 107 N 1.57 1.37 -2.06 5.41 0.00 -1.77 -3.37 119.26 120.42 3g3b h ALA 107 Ca 0.00 -0.26 -0.71 0.00 0.00 0.00 0.00 54.91 53.94 3g3b h ALA 107 Cb 0.23 -0.10 -0.20 0.00 0.00 0.00 0.00 17.79 17.72 3g3b h ALA 107 CO 0.00 0.43 0.36 -1.58 0.00 0.00 0.00 179.25 178.46 3g3b s TRP 108 N -4.62 3.15 0.16 0.00 0.51 -0.83 -4.94 118.94 112.37 3g3b s TRP 108 Ca -0.06 -1.24 -0.16 0.00 -2.12 0.00 0.00 56.10 52.51 3g3b s TRP 108 Cb 0.15 -4.08 0.10 0.00 -0.81 0.00 0.00 33.47 28.82 3g3b s TRP 108 CO 0.75 -1.33 1.69 0.28 -0.51 0.00 0.00 176.95 177.83 3g3b h VAL 109 N 5.69 0.67 -0.59 4.03 2.07 -1.85 0.16 116.25 126.42 3g3b h VAL 109 Ca -0.09 -0.02 0.03 0.00 0.82 0.00 0.00 66.70 67.45 3g3b h VAL 109 Cb 1.06 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 31.39 3g3b h VAL 109 CO 1.05 0.01 0.35 0.00 0.02 0.00 0.00 177.57 179.00 3g3b h ALA 110 N 1.36 0.77 -0.58 1.67 0.00 -1.95 -0.41 119.26 120.10 3g3b h ALA 110 Ca 0.19 -0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.21 3g3b h ALA 110 Cb 0.28 -0.16 -0.10 0.00 0.00 0.00 0.00 17.79 17.80 3g3b h ALA 110 CO -0.35 0.07 -0.07 2.35 0.00 0.00 0.00 179.25 181.25 3g3b h TRP 111 N 0.68 -0.17 -0.32 0.00 7.01 -1.75 0.21 115.95 121.61 3g3b h TRP 111 Ca 0.24 0.05 -0.04 0.00 2.11 0.00 0.00 58.89 61.25 3g3b h TRP 111 Cb 0.06 0.16 -0.02 0.00 -2.10 0.00 0.00 29.16 27.26 3g3b h TRP 111 CO -0.06 -0.20 0.03 -0.09 -2.79 0.00 0.00 178.44 175.32 3g3b h ARG 112 N 0.06 0.48 0.08 2.65 2.43 0.55 -0.65 114.38 119.97 3g3b h ARG 112 Ca 0.29 -0.09 -0.35 0.00 -0.81 0.00 0.00 59.98 59.03 3g3b h ARG 112 Cb 0.47 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.91 3g3b h ARG 112 CO -0.55 0.48 -1.92 0.09 -1.51 0.00 0.00 179.97 176.56 3g3b n ASN 113 N -4.32 2.05 -0.00 -3.80 5.03 -0.33 -4.28 115.26 109.61 3g3b n ASN 113 Ca 0.01 0.22 0.09 0.00 0.87 0.00 0.00 54.58 55.78 3g3b n ASN 113 Cb 0.21 -0.83 -0.11 0.00 -1.02 0.00 0.00 39.78 38.03 3g3b n ASN 113 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3g3b n ARG 114 N -3.70 0.60 0.06 3.52 5.12 0.71 -4.82 116.66 118.15 3g3b n ARG 114 Ca -0.35 -0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.57 3g3b n ARG 114 Cb 0.96 -1.41 0.00 0.00 -1.16 0.00 0.00 32.46 30.84 3g3b n ARG 114 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3g3b n LYS 116 N -3.29 1.03 0.00 0.00 4.81 -0.52 -1.59 118.16 118.59 3g3b n LYS 116 Ca 0.00 0.36 0.00 0.00 -0.87 0.00 0.00 58.31 57.80 3g3b n LYS 116 Cb 0.00 -1.66 0.00 0.00 0.02 0.00 0.00 35.03 33.39 3g3b n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3g3b n GLY 117 N 1.45 3.13 4.00 3.14 0.00 -1.26 -4.83 105.19 110.82 3g3b n GLY 117 Ca 0.12 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.84 2.23 -1.29 2.61 -4.23 -0.62 -4.99 115.64 107.51 3g3b s THR 118 Ca 0.00 -0.68 -0.16 0.00 -1.18 0.00 0.00 61.69 59.67 3g3b s THR 118 Cb 0.00 -2.54 0.10 0.00 1.34 0.00 0.00 72.50 71.39 3g3b s THR 118 CO 0.00 0.00 1.72 -0.67 -0.54 0.00 0.00 174.62 175.13 3g3b n ASP 119 N -2.64 4.91 0.27 3.99 4.64 -1.26 -4.83 116.55 121.63 3g3b n ASP 119 Ca 0.14 -2.94 0.18 0.00 -1.38 0.00 0.00 54.79 50.80 3g3b n ASP 119 Cb 0.61 -1.68 0.94 0.00 -1.04 0.00 0.00 41.12 39.94 3g3b n ASP 119 CO 0.00 0.00 0.00 -0.37 -0.82 0.00 0.00 177.20 176.01 3g3b h VAL 120 N 5.07 0.00 0.00 5.18 -1.51 -1.93 -2.85 116.25 120.20 3g3b h VAL 120 Ca 0.43 -0.10 0.00 0.00 -1.23 0.00 0.00 66.70 65.79 3g3b h VAL 120 Cb 0.83 0.97 0.00 0.00 -2.13 0.00 0.00 31.29 30.96 3g3b h VAL 120 CO 1.46 0.00 0.00 1.56 -1.23 0.00 0.00 177.57 179.36 3g3b h GLN 121 N 0.00 0.00 -1.17 5.19 1.08 -1.90 -2.12 115.11 116.19 3g3b h GLN 121 Ca 0.00 0.00 0.33 0.00 -1.45 0.00 0.00 58.65 57.53 3g3b h GLN 121 Cb 0.11 0.00 -0.09 0.00 -0.05 0.00 0.00 27.48 27.46 3g3b h GLN 121 CO 0.00 0.00 0.78 0.00 -0.95 0.00 0.00 178.83 178.66 3g3b h ALA 122 N 2.13 2.63 0.00 3.87 0.00 -1.89 -0.68 119.26 125.32 3g3b h ALA 122 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3g3b h ALA 122 Cb 0.52 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3g3b h ALA 122 CO 0.00 -1.06 0.00 0.91 0.00 0.00 0.00 179.25 179.10 3g3b n TRP 123 N -4.50 0.00 -0.01 0.00 7.02 -0.80 -2.89 117.44 116.27 3g3b n TRP 123 Ca 0.28 0.00 0.01 0.00 -1.02 0.00 0.00 57.50 56.77 3g3b n TRP 123 Cb 1.13 -0.36 -0.03 0.00 -2.42 0.00 0.00 31.31 29.62 3g3b n TRP 123 CO 0.00 0.00 0.00 -0.89 -2.02 0.00 0.00 177.69 174.78 3g3b n ILE 124 N -1.36 0.06 -2.58 -0.99 2.08 -0.33 -4.77 119.36 111.47 3g3b n ILE 124 Ca 0.06 -0.10 -0.33 0.00 0.56 0.00 0.00 62.75 62.94 3g3b n ILE 124 Cb 0.15 0.09 -0.05 0.00 -0.75 0.00 0.00 39.64 39.09 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 -2.23 4.03 0.00 0.38 0.52 -0.80 -3.89 118.95 116.96 3g3b s ARG 125 Ca -0.02 1.07 0.00 0.00 -0.52 0.00 0.00 55.73 56.27 3g3b s ARG 125 Cb 0.02 -2.15 0.00 0.00 0.52 0.00 0.00 34.95 33.35 3g3b s ARG 125 CO 0.16 -0.21 0.00 0.41 0.02 0.00 0.00 175.30 175.68 3g3b n GLY 126 N -1.03 0.70 0.95 -3.53 0.00 -1.26 -5.00 105.19 96.03 3g3b n GLY 126 Ca 0.07 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.21 3g3b n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32