#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g1b s TYR 41 N 0.00 1.00 0.04 -1.77 1.51 0.66 -0.92 117.35 117.87 3g1b s TYR 41 Ca 0.00 -0.31 -0.18 0.00 -1.01 0.00 0.00 57.07 55.58 3g1b s TYR 41 Cb 0.00 -0.78 -0.06 0.00 -0.11 0.00 0.00 41.96 41.01 3g1b s TYR 41 CO 0.00 -0.19 0.51 -0.98 -1.11 0.00 0.00 175.55 173.78 3g1b s ARG 42 N 0.66 4.10 -0.18 -0.62 1.70 0.10 -1.09 118.95 123.62 3g1b s ARG 42 Ca -0.11 0.61 -0.12 0.00 -0.47 0.00 0.00 55.73 55.64 3g1b s ARG 42 Cb -0.14 -3.24 -0.05 0.00 -0.57 0.00 0.00 34.95 30.96 3g1b s ARG 42 CO 0.01 0.64 0.23 0.08 -1.08 0.00 0.00 175.30 175.19 3g1b s VAL 43 N -1.04 5.34 0.07 4.99 1.01 -0.19 -1.34 120.40 129.24 3g1b s VAL 43 Ca 0.27 0.42 0.08 0.00 0.00 0.00 0.00 61.98 62.74 3g1b s VAL 43 Cb -0.18 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 3g1b s VAL 43 CO 0.17 0.40 -0.17 -0.76 0.00 0.00 0.00 175.10 174.74 3g1b s LEU 44 N 0.47 2.70 0.04 3.92 1.43 0.54 -0.36 118.68 127.42 3g1b s LEU 44 Ca 0.13 -0.46 0.07 0.00 -1.03 0.00 0.00 54.13 52.84 3g1b s LEU 44 Cb -0.12 -1.57 -0.03 0.00 0.03 0.00 0.00 46.19 44.50 3g1b s LEU 44 CO 0.02 0.22 -0.16 0.27 0.23 0.00 0.00 176.35 176.93 3g1b s ILE 45 N -1.03 2.93 0.03 -0.59 -4.36 -0.81 -1.12 121.20 116.25 3g1b s ILE 45 Ca 0.17 -1.15 0.02 0.00 -0.26 0.00 0.00 60.65 59.43 3g1b s ILE 45 Cb -0.11 -2.25 -0.04 0.00 1.25 0.00 0.00 42.46 41.31 3g1b s ILE 45 CO 0.08 0.33 0.02 -0.76 0.24 0.00 0.00 174.94 174.85 3g1b s LEU 46 N -1.50 3.60 0.55 0.37 1.43 -0.68 -2.07 118.68 120.39 3g1b s LEU 46 Ca 0.15 -0.02 -0.19 0.00 -1.03 0.00 0.00 54.13 53.04 3g1b s LEU 46 Cb -0.11 -2.16 -0.05 0.00 0.03 0.00 0.00 46.19 43.90 3g1b s LEU 46 CO 0.06 0.24 1.12 0.21 0.23 0.00 0.00 176.35 178.21 3g1b s ASN 47 N -1.86 5.70 0.21 2.29 2.47 -0.19 -4.39 114.94 119.17 3g1b s ASN 47 Ca 0.23 2.12 -0.11 0.00 0.42 0.00 0.00 52.86 55.52 3g1b s ASN 47 Cb -0.12 -2.57 -0.00 0.00 -1.45 0.00 0.00 41.25 37.10 3g1b s ASN 47 CO 0.14 -1.23 0.39 1.51 -3.72 0.00 0.00 177.10 174.19 3g1b s ASP 48 N -1.92 -0.05 -0.01 -4.21 1.47 -1.26 -4.96 116.67 105.73 3g1b s ASP 48 Ca 0.71 -0.89 0.16 0.00 1.18 0.00 0.00 52.55 53.71 3g1b s ASP 48 Cb -0.23 0.52 0.49 0.00 -0.34 0.00 0.00 42.92 43.36 3g1b s ASP 48 CO 0.28 -1.02 1.40 0.47 0.68 0.00 0.00 175.17 176.99 3g1b n ASP 49 N -0.31 3.00 -0.04 2.11 8.00 -1.26 -4.38 116.55 123.66 3g1b n ASP 49 Ca -0.04 -2.04 -0.07 0.00 0.71 0.00 0.00 54.79 53.35 3g1b n ASP 49 Cb 0.63 -0.38 -0.04 0.00 -0.02 0.00 0.00 41.12 41.31 3g1b n ASP 49 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3g1b n TYR 50 N 1.05 0.00 -2.07 1.24 4.01 -1.26 -5.01 117.16 115.12 3g1b n TYR 50 Ca 0.18 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.50 3g1b n TYR 50 Cb 0.49 -0.33 -0.03 0.00 -0.31 0.00 0.00 39.34 39.15 3g1b n TYR 50 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 3g1b s THR 51 N -2.17 3.24 0.40 -0.72 2.01 -1.26 -4.96 115.64 112.18 3g1b s THR 51 Ca -0.12 0.77 -0.26 0.00 0.31 0.00 0.00 61.69 62.38 3g1b s THR 51 Cb 0.03 -3.49 -0.09 0.00 0.01 0.00 0.00 72.50 68.96 3g1b s THR 51 CO 0.19 0.02 1.36 -2.84 -0.69 0.00 0.00 174.62 172.66 3g1b s PRO 52 N 2.00 3.97 0.31 4.92 0.02 -1.26 -4.90 135.00 140.06 3g1b s PRO 52 Ca 0.68 2.28 0.07 0.00 0.02 0.00 0.00 61.00 64.05 3g1b s PRO 52 Cb -0.37 -2.80 0.75 0.00 0.02 0.00 0.00 34.50 32.10 3g1b s PRO 52 CO 0.30 -0.53 1.80 0.00 -0.33 0.00 0.00 177.00 178.23 3g1b h ALA 53 N 2.74 1.72 0.00 -1.55 0.00 -1.99 -0.42 119.26 119.75 3g1b h ALA 53 Ca -0.50 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.41 3g1b h ALA 53 Cb 1.25 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 3g1b h ALA 53 CO 0.63 -0.06 -0.30 0.93 0.00 0.00 0.00 179.25 180.45 3g1b h GLU 54 N 0.76 0.00 -0.16 0.00 3.07 -2.00 -1.65 114.58 114.61 3g1b h GLU 54 Ca 0.55 0.00 -0.21 0.00 -0.50 0.00 0.00 59.36 59.20 3g1b h GLU 54 Cb 0.87 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.78 3g1b h GLU 54 CO -0.34 0.30 -0.73 0.35 -1.40 0.00 0.00 179.01 177.19 3g1b h PHE 55 N 0.00 0.98 -0.52 4.33 3.57 -1.45 -1.65 116.94 122.19 3g1b h PHE 55 Ca -0.00 -0.42 -0.00 0.00 3.53 0.00 0.00 57.97 61.08 3g1b h PHE 55 Cb 0.54 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.09 3g1b h PHE 55 CO 0.00 1.23 0.32 0.28 -2.23 0.00 0.00 178.31 177.92 3g1b h VAL 56 N 0.51 1.15 -0.44 1.41 2.07 -1.04 -0.02 116.25 119.90 3g1b h VAL 56 Ca -0.04 -0.33 0.03 0.00 0.82 0.00 0.00 66.70 67.18 3g1b h VAL 56 Cb 1.35 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.52 3g1b h VAL 56 CO 0.15 0.15 0.24 0.58 0.02 0.00 0.00 177.57 178.71 3g1b h VAL 57 N 0.70 1.01 -0.27 2.57 2.07 -1.28 -1.42 116.25 119.63 3g1b h VAL 57 Ca 0.19 -0.17 0.05 0.00 0.82 0.00 0.00 66.70 67.59 3g1b h VAL 57 Cb -0.03 0.48 -0.05 0.00 -1.52 0.00 0.00 31.29 30.18 3g1b h VAL 57 CO -0.04 0.09 -0.03 0.22 0.02 0.00 0.00 177.57 177.83 3g1b h TYR 58 N 0.48 -0.07 -0.57 1.57 3.20 -0.80 -1.03 116.97 119.76 3g1b h TYR 58 Ca 0.18 0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.14 3g1b h TYR 58 Cb 0.05 0.07 -0.06 0.00 1.54 0.00 0.00 36.73 38.34 3g1b h TYR 58 CO -0.08 -0.07 0.26 0.28 -1.64 0.00 0.00 178.16 176.90 3g1b h VAL 59 N 0.05 0.89 -0.43 1.81 2.07 -0.62 0.12 116.25 120.13 3g1b h VAL 59 Ca 0.13 -0.17 -0.09 0.00 0.82 0.00 0.00 66.70 67.39 3g1b h VAL 59 Cb 0.18 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 3g1b h VAL 59 CO -0.24 0.09 -0.07 -0.07 0.02 0.00 0.00 177.57 177.29 3g1b h LEU 60 N 0.49 0.81 -0.08 2.57 3.38 -0.82 0.32 115.31 121.99 3g1b h LEU 60 Ca 0.27 -0.35 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 3g1b h LEU 60 Cb 0.24 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 3g1b h LEU 60 CO -0.22 0.97 0.03 -0.33 0.09 0.00 0.00 178.44 178.98 3g1b h GLU 61 N 0.64 0.11 0.00 1.13 5.08 -0.89 -2.06 114.58 118.59 3g1b h GLU 61 Ca 0.11 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3g1b h GLU 61 Cb 0.60 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.83 3g1b h GLU 61 CO 0.04 0.25 -0.00 -0.09 -1.00 0.00 0.00 179.01 178.20 3g1b h ARG 62 N -0.04 0.00 0.00 2.33 2.43 -0.66 -2.50 114.38 115.94 3g1b h ARG 62 Ca 0.02 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3g1b h ARG 62 Cb 0.18 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 3g1b h ARG 62 CO -0.00 0.81 -1.02 1.19 -1.51 0.00 0.00 179.97 179.43 3g1b n PHE 63 N -4.70 0.41 -0.31 2.20 3.72 0.09 -4.21 117.46 114.66 3g1b n PHE 63 Ca -0.09 0.12 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 3g1b n PHE 63 Cb 0.39 -0.56 0.00 0.00 -0.94 0.00 0.00 39.48 38.37 3g1b n PHE 63 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 3g1b n PHE 64 N -2.12 0.00 -3.22 1.38 3.72 -0.93 -5.02 117.46 111.26 3g1b n PHE 64 Ca 0.01 -0.34 -0.23 0.00 -0.05 0.00 0.00 57.45 56.85 3g1b n PHE 64 Cb 0.46 -0.03 0.02 0.00 -0.94 0.00 0.00 39.48 38.99 3g1b n PHE 64 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3g1b n ASN 65 N -0.34 -4.99 -4.78 4.37 4.13 -0.94 -4.92 115.26 107.79 3g1b n ASN 65 Ca 0.00 -0.35 -0.38 0.00 1.68 0.00 0.00 54.58 55.52 3g1b n ASN 65 Cb 0.32 -4.06 -0.06 0.00 -1.54 0.00 0.00 39.78 34.44 3g1b n ASN 65 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 3g1b s LYS 66 N -5.89 4.59 0.94 3.52 -0.14 -0.82 -4.97 119.74 116.97 3g1b s LYS 66 Ca 0.37 1.24 -0.11 0.00 -1.36 0.00 0.00 55.97 56.11 3g1b s LYS 66 Cb -0.18 -3.05 0.16 0.00 -1.68 0.00 0.00 37.83 33.08 3g1b s LYS 66 CO 0.45 0.44 1.10 -1.54 -0.76 0.00 0.00 175.35 175.04 3g1b s SER 67 N -1.39 2.86 0.17 2.83 1.04 -1.26 -4.16 113.70 113.78 3g1b s SER 67 Ca 0.43 1.86 -0.15 0.00 0.48 0.00 0.00 55.95 58.57 3g1b s SER 67 Cb -0.21 -2.43 0.12 0.00 0.10 0.00 0.00 66.02 63.60 3g1b s SER 67 CO 0.26 -3.08 1.72 -0.09 0.98 0.00 0.00 173.24 173.03 3g1b h ARG 68 N -1.86 0.20 -0.45 4.02 2.43 -1.97 0.12 114.38 116.87 3g1b h ARG 68 Ca -0.48 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 58.63 3g1b h ARG 68 Cb 1.28 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.76 3g1b h ARG 68 CO 0.47 0.13 0.09 1.49 -1.51 0.00 0.00 179.97 180.65 3g1b h GLU 69 N 0.21 0.74 -0.57 0.20 4.81 -1.99 -0.58 114.58 117.40 3g1b h GLU 69 Ca 0.20 -0.19 -0.10 0.00 -0.13 0.00 0.00 59.36 59.14 3g1b h GLU 69 Cb 0.25 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 3g1b h GLU 69 CO -0.27 0.75 -0.03 0.22 -0.73 0.00 0.00 179.01 178.95 3g1b h ASP 70 N 0.61 1.02 -0.56 1.04 3.58 -1.82 -0.21 116.42 120.07 3g1b h ASP 70 Ca 0.14 -0.32 -0.01 0.00 0.42 0.00 0.00 57.03 57.26 3g1b h ASP 70 Cb 0.35 -0.27 -0.03 0.00 1.72 0.00 0.00 39.33 41.10 3g1b h ASP 70 CO 0.01 1.09 0.32 0.00 -2.88 0.00 0.00 179.24 177.78 3g1b h ALA 71 N 0.96 0.72 -0.57 -0.78 0.00 -0.63 -1.17 119.26 117.80 3g1b h ALA 71 Ca 0.16 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3g1b h ALA 71 Cb 0.59 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3g1b h ALA 71 CO 0.04 0.23 0.33 1.15 0.00 0.00 0.00 179.25 180.99 3g1b h THR 72 N 0.76 1.18 -0.24 0.00 2.02 -0.80 -0.49 112.91 115.34 3g1b h THR 72 Ca 0.20 -0.41 0.04 0.00 0.77 0.00 0.00 66.41 67.01 3g1b h THR 72 Cb 0.02 0.42 -0.04 0.00 -1.74 0.00 0.00 68.15 66.82 3g1b h THR 72 CO -0.03 0.18 0.00 -0.09 0.37 0.00 0.00 175.52 175.95 3g1b h ARG 73 N 0.76 0.08 -0.33 6.66 2.43 -0.68 -0.47 114.38 122.84 3g1b h ARG 73 Ca 0.20 -0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 59.21 3g1b h ARG 73 Cb 0.01 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.53 3g1b h ARG 73 CO -0.04 0.05 -0.41 0.82 -1.51 0.00 0.00 179.97 178.89 3g1b h ILE 74 N 0.08 1.28 -0.62 1.20 2.04 -1.07 -1.53 117.51 118.89 3g1b h ILE 74 Ca 0.11 -1.59 0.08 0.00 1.00 0.00 0.00 64.86 64.46 3g1b h ILE 74 Cb 0.14 1.52 -0.06 0.00 -0.74 0.00 0.00 36.82 37.68 3g1b h ILE 74 CO -0.19 0.52 0.28 -0.03 0.00 0.00 0.00 178.15 178.74 3g1b h MET 75 N 0.64 0.50 -0.52 2.37 4.05 -0.77 -0.62 114.93 120.58 3g1b h MET 75 Ca 0.04 -0.03 -0.10 0.00 -0.28 0.00 0.00 59.70 59.33 3g1b h MET 75 Cb 1.00 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 31.67 3g1b h MET 75 CO 0.10 0.33 -0.08 -0.07 0.23 0.00 0.00 176.91 177.42 3g1b h LEU 76 N 0.51 0.93 -0.74 3.39 3.38 -0.88 -1.54 115.31 120.36 3g1b h LEU 76 Ca 0.30 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 3g1b h LEU 76 Cb 0.29 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 3g1b h LEU 76 CO -0.25 1.03 0.39 -0.74 0.09 0.00 0.00 178.44 178.97 3g1b h HIS 77 N 0.85 1.04 -0.46 1.13 2.76 -0.59 -1.37 115.15 118.51 3g1b h HIS 77 Ca 0.14 -0.03 -0.12 0.00 -2.20 0.00 0.00 60.37 58.15 3g1b h HIS 77 Cb 0.61 -0.33 -0.01 0.00 1.55 0.00 0.00 27.41 29.23 3g1b h HIS 77 CO 0.04 0.75 -0.20 0.28 -1.30 0.00 0.00 177.93 177.49 3g1b h VAL 78 N 1.03 1.27 -0.76 5.26 2.07 -0.88 -0.10 116.25 124.14 3g1b h VAL 78 Ca 0.26 -1.35 -0.01 0.00 0.82 0.00 0.00 66.70 66.42 3g1b h VAL 78 Cb 0.07 1.13 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 3g1b h VAL 78 CO -0.04 0.46 0.44 -0.74 0.02 0.00 0.00 177.57 177.71 3g1b h HIS 79 N 0.80 1.02 0.08 1.57 6.17 -0.98 -0.15 115.15 123.67 3g1b h HIS 79 Ca 0.11 -0.01 -0.27 0.00 0.71 0.00 0.00 60.37 60.91 3g1b h HIS 79 Cb 0.75 -0.33 -0.01 0.00 2.52 0.00 0.00 27.41 30.34 3g1b h HIS 79 CO 0.05 0.70 -1.32 1.96 0.71 0.00 0.00 177.93 180.03 3g1b h GLN 80 N 1.04 0.18 0.00 5.26 4.20 -1.08 -3.39 115.11 121.31 3g1b h GLN 80 Ca 0.27 -0.30 0.00 0.00 0.06 0.00 0.00 58.65 58.67 3g1b h GLN 80 Cb -0.00 0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.89 3g1b h GLN 80 CO -0.05 1.07 -0.26 0.09 -0.67 0.00 0.00 178.83 179.02 3g1b n ASN 81 N -3.42 0.30 0.00 1.46 3.02 -0.07 -5.02 115.26 111.53 3g1b n ASN 81 Ca -0.10 -0.61 0.00 0.00 -0.03 0.00 0.00 54.58 53.84 3g1b n ASN 81 Cb 1.01 1.00 0.00 0.00 -0.61 0.00 0.00 39.78 41.19 3g1b n ASN 81 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3g1b n GLY 82 N 1.14 2.40 3.49 7.41 0.00 -0.07 -5.00 105.19 114.56 3g1b n GLY 82 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 3g1b n GLY 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g1b s VAL 83 N -2.65 0.00 0.01 1.61 0.11 -1.24 -1.02 120.40 117.22 3g1b s VAL 83 Ca 0.00 0.00 -0.28 0.00 -2.93 0.00 0.00 61.98 58.77 3g1b s VAL 83 Cb 0.00 -1.00 0.10 0.00 -1.53 0.00 0.00 36.38 33.95 3g1b s VAL 83 CO 0.00 0.00 0.82 -0.83 -3.33 0.00 0.00 175.10 171.76 3g1b s GLY 84 N -2.01 -0.48 -0.17 6.54 0.00 -0.88 -4.24 107.32 106.08 3g1b s GLY 84 Ca -0.02 1.05 -0.19 0.00 0.00 0.00 0.00 44.72 45.56 3g1b s GLY 84 CO -0.03 0.43 0.54 0.14 0.00 0.00 0.00 173.10 174.17 3g1b s VAL 85 N -2.86 5.11 -0.11 1.40 1.01 -1.26 -1.92 120.40 121.76 3g1b s VAL 85 Ca 0.02 1.02 0.13 0.00 0.00 0.00 0.00 61.98 63.15 3g1b s VAL 85 Cb -0.01 -3.86 -0.24 0.00 0.00 0.00 0.00 36.38 32.27 3g1b s VAL 85 CO -0.07 0.21 0.40 0.00 0.00 0.00 0.00 175.10 175.64 3g1b n GLY 87 N 1.67 0.65 2.99 0.00 0.00 -1.24 -4.89 105.19 104.37 3g1b n GLY 87 Ca -0.24 -0.94 -0.23 0.00 0.00 0.00 0.00 46.02 44.61 3g1b n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g1b s VAL 88 N -2.00 0.98 0.20 1.61 1.01 -1.26 -1.03 120.40 119.91 3g1b s VAL 88 Ca 0.00 -0.38 -0.07 0.00 0.00 0.00 0.00 61.98 61.53 3g1b s VAL 88 Cb 0.00 -0.92 -0.02 0.00 0.00 0.00 0.00 36.38 35.44 3g1b s VAL 88 CO 0.00 0.32 0.28 -0.31 0.00 0.00 0.00 175.10 175.39 3g1b s TYR 89 N 0.76 0.67 0.90 5.22 2.02 -0.25 -4.92 117.35 121.75 3g1b s TYR 89 Ca -0.13 -0.99 -0.10 0.00 -0.37 0.00 0.00 57.07 55.48 3g1b s TYR 89 Cb -0.15 -0.18 0.13 0.00 -0.40 0.00 0.00 41.96 41.36 3g1b s TYR 89 CO 0.02 -0.76 1.12 0.95 -1.57 0.00 0.00 175.55 175.31 3g1b s THR 90 N -4.05 2.38 0.16 -0.71 -4.23 -1.26 -0.24 115.64 107.68 3g1b s THR 90 Ca 0.27 0.12 -0.18 0.00 -1.18 0.00 0.00 61.69 60.72 3g1b s THR 90 Cb 0.04 -2.28 0.07 0.00 1.34 0.00 0.00 72.50 71.67 3g1b s THR 90 CO 0.07 -0.16 1.67 0.22 -0.54 0.00 0.00 174.62 175.88 3g1b h TYR 91 N -1.73 -0.22 -0.21 3.99 3.20 -1.93 -0.16 116.97 119.91 3g1b h TYR 91 Ca -0.45 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.37 3g1b h TYR 91 Cb 1.26 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 39.67 3g1b h TYR 91 CO 0.50 -0.17 -0.27 0.93 -1.64 0.00 0.00 178.16 177.52 3g1b h GLU 92 N -0.02 0.39 -0.12 1.82 3.07 -1.99 -0.82 114.58 116.92 3g1b h GLU 92 Ca 0.17 -0.15 -0.20 0.00 -0.50 0.00 0.00 59.36 58.68 3g1b h GLU 92 Cb 0.28 -0.02 0.01 0.00 -0.84 0.00 0.00 28.75 28.17 3g1b h GLU 92 CO -0.37 0.63 -0.70 0.28 -1.40 0.00 0.00 179.01 177.45 3g1b h VAL 93 N 0.35 1.31 -0.52 3.13 2.07 -1.77 -1.71 116.25 119.12 3g1b h VAL 93 Ca 0.05 -1.95 0.07 0.00 0.82 0.00 0.00 66.70 65.69 3g1b h VAL 93 Cb 0.66 2.12 -0.06 0.00 -1.52 0.00 0.00 31.29 32.49 3g1b h VAL 93 CO 0.05 0.61 0.17 0.00 0.02 0.00 0.00 177.57 178.42 3g1b h ALA 94 N 0.50 0.63 -0.93 1.67 0.00 -0.75 -0.47 119.26 119.90 3g1b h ALA 94 Ca -0.06 0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.96 3g1b h ALA 94 Cb 1.34 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 19.14 3g1b h ALA 94 CO 0.14 -0.22 0.61 0.93 0.00 0.00 0.00 179.25 180.71 3g1b h GLU 95 N 0.35 1.16 -0.29 0.00 5.08 -1.03 -0.43 114.58 119.42 3g1b h GLU 95 Ca 0.25 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 3g1b h GLU 95 Cb 0.28 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 3g1b h GLU 95 CO -0.27 0.77 0.15 1.15 -1.00 0.00 0.00 179.01 179.81 3g1b h THR 96 N 1.20 1.14 -0.45 1.13 2.02 -0.56 -1.61 112.91 115.78 3g1b h THR 96 Ca 0.37 -0.39 -0.04 0.00 0.77 0.00 0.00 66.41 67.12 3g1b h THR 96 Cb -0.03 0.87 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 3g1b h THR 96 CO -0.11 0.14 0.12 0.11 0.37 0.00 0.00 175.52 176.16 3g1b h LYS 97 N 0.34 0.71 -0.28 6.66 1.57 -0.69 0.20 116.57 125.08 3g1b h LYS 97 Ca 0.10 -0.16 0.04 0.00 -1.87 0.00 0.00 60.65 58.76 3g1b h LYS 97 Cb 0.09 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.26 3g1b h LYS 97 CO -0.01 0.70 0.02 0.28 -0.57 0.00 0.00 179.45 179.86 3g1b h VAL 98 N 0.59 0.83 -0.58 0.50 2.07 -1.00 -0.75 116.25 117.91 3g1b h VAL 98 Ca 0.14 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.63 3g1b h VAL 98 Cb 0.29 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 3g1b h VAL 98 CO -0.00 0.02 0.38 0.00 0.02 0.00 0.00 177.57 177.99 3g1b h ALA 99 N 1.22 0.73 -0.78 1.67 0.00 -1.04 -1.19 119.26 119.89 3g1b h ALA 99 Ca 0.13 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 3g1b h ALA 99 Cb 0.16 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3g1b h ALA 99 CO -0.20 0.18 0.30 1.96 0.00 0.00 0.00 179.25 181.48 3g1b h GLN 100 N 0.78 1.17 -0.39 0.00 4.20 -0.55 -0.31 115.11 120.01 3g1b h GLN 100 Ca 0.21 -0.22 -0.04 0.00 0.06 0.00 0.00 58.65 58.66 3g1b h GLN 100 Cb -0.08 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.50 3g1b h GLN 100 CO -0.04 0.96 0.08 0.28 -0.67 0.00 0.00 178.83 179.44 3g1b h VAL 101 N 1.14 1.23 -0.44 -0.54 2.07 -0.84 -1.34 116.25 117.52 3g1b h VAL 101 Ca 0.26 -0.81 -0.06 0.00 0.82 0.00 0.00 66.70 66.91 3g1b h VAL 101 Cb 0.23 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 3g1b h VAL 101 CO -0.02 0.28 0.05 0.40 0.02 0.00 0.00 177.57 178.30 3g1b h ILE 102 N 0.49 1.25 0.13 4.57 2.04 -0.96 0.10 117.51 125.13 3g1b h ILE 102 Ca 0.12 -0.95 0.00 0.00 1.00 0.00 0.00 64.86 65.04 3g1b h ILE 102 Cb 0.33 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 3g1b h ILE 102 CO 0.00 0.33 -0.13 -0.78 0.00 0.00 0.00 178.15 177.57 3g1b h ASP 103 N 0.61 -0.35 -0.20 1.72 3.58 -1.01 -0.92 116.42 119.85 3g1b h ASP 103 Ca 0.13 0.04 0.01 0.00 0.42 0.00 0.00 57.03 57.63 3g1b h ASP 103 Cb 0.42 0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.58 3g1b h ASP 103 CO 0.01 -0.20 0.11 -1.28 -2.88 0.00 0.00 179.24 175.00 3g1b h SER 104 N -0.29 0.18 0.02 2.28 0.87 -1.04 -2.09 113.55 113.48 3g1b h SER 104 Ca 0.01 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.58 3g1b h SER 104 Cb 0.28 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.19 3g1b h SER 104 CO -0.04 0.13 -0.08 0.00 -0.53 0.00 0.00 176.83 176.31 3g1b h ALA 105 N 1.09 -0.10 -0.37 6.23 0.00 -0.59 -1.76 119.26 123.75 3g1b h ALA 105 Ca 0.08 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 3g1b h ALA 105 Cb -0.00 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3g1b h ALA 105 CO -0.04 -0.58 -0.17 0.00 0.00 0.00 0.00 179.25 178.47 3g1b h ARG 106 N -0.15 0.69 0.00 0.00 2.47 -1.09 0.06 114.38 116.37 3g1b h ARG 106 Ca 0.03 -0.24 -0.05 0.00 -1.26 0.00 0.00 59.98 58.45 3g1b h ARG 106 Cb 0.18 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.44 3g1b h ARG 106 CO -0.07 0.82 -0.26 0.00 0.56 0.00 0.00 179.97 181.02 3g1b h ARG 107 N 0.62 0.00 -0.61 0.04 3.08 -1.25 -0.97 114.38 115.28 3g1b h ARG 107 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 3g1b h ARG 107 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.68 3g1b h ARG 107 CO 0.04 0.26 0.00 0.72 -1.07 0.00 0.00 179.97 179.92 3g1b n HIS 108 N -3.85 0.96 -3.32 3.04 8.25 -0.67 -4.93 115.22 114.70 3g1b n HIS 108 Ca -0.02 -0.37 -0.22 0.00 -0.26 0.00 0.00 57.72 56.85 3g1b n HIS 108 Cb 0.35 -0.19 0.06 0.00 1.12 0.00 0.00 29.99 31.32 3g1b n HIS 108 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3g1b n GLN 109 N 0.56 -6.43 -4.92 -0.41 1.13 -0.37 -5.00 117.38 101.94 3g1b n GLN 109 Ca 0.16 0.81 -0.28 0.00 -1.94 0.00 0.00 57.00 55.75 3g1b n GLN 109 Cb 0.62 -5.66 -0.15 0.00 0.11 0.00 0.00 30.24 25.16 3g1b n GLN 109 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 3g1b s HIS 110 N -3.24 2.05 -2.05 1.08 3.76 -0.07 -5.01 115.29 111.82 3g1b s HIS 110 Ca 0.45 -0.39 0.12 0.00 -0.15 0.00 0.00 55.06 55.09 3g1b s HIS 110 Cb -0.20 -1.26 0.38 0.00 1.11 0.00 0.00 32.58 32.61 3g1b s HIS 110 CO 0.56 0.05 1.30 -0.35 -0.85 0.00 0.00 174.74 175.45 3g1b n PRO 111 N 2.10 1.71 -1.44 8.40 -0.04 -1.26 -3.51 135.00 140.96 3g1b n PRO 111 Ca -0.16 -1.09 -0.56 0.00 -0.04 0.00 0.00 63.50 61.64 3g1b n PRO 111 Cb 0.52 -1.27 -0.08 0.00 -0.04 0.00 0.00 33.50 32.64 3g1b n PRO 111 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 3g1b n LEU 112 N 0.37 0.42 -4.74 1.53 7.94 -1.26 -4.92 117.00 116.34 3g1b n LEU 112 Ca 0.12 1.05 -0.36 0.00 -1.11 0.00 0.00 56.01 55.71 3g1b n LEU 112 Cb 0.27 -0.81 -0.07 0.00 0.53 0.00 0.00 43.42 43.33 3g1b n LEU 112 CO 0.08 -1.34 -0.08 -1.10 -1.11 0.00 0.00 177.39 173.84 3g1b s GLN 113 N 1.06 4.18 -0.04 1.96 -0.21 -1.26 -4.85 119.66 120.50 3g1b s GLN 113 Ca 0.87 -0.02 0.03 0.00 0.02 0.00 0.00 55.36 56.25 3g1b s GLN 113 Cb -1.22 -3.41 0.01 0.00 1.00 0.00 0.00 33.01 29.39 3g1b s GLN 113 CO 0.60 0.30 -0.10 0.00 -2.12 0.00 0.00 175.29 173.97 3g1b n THR 115 N 3.47 0.00 -3.95 0.00 5.66 -0.27 -4.99 114.28 114.21 3g1b n THR 115 Ca -0.20 -1.02 -0.09 0.00 -3.05 0.00 0.00 64.05 59.68 3g1b n THR 115 Cb 0.53 0.60 -0.10 0.00 -1.55 0.00 0.00 70.33 69.81 3g1b n THR 115 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3g1b s MET 116 N -2.49 0.52 0.02 1.09 0.23 -1.26 -0.34 119.30 117.07 3g1b s MET 116 Ca 0.17 -0.71 -0.02 0.00 -1.03 0.00 0.00 55.69 54.10 3g1b s MET 116 Cb -0.00 0.20 -0.02 0.00 -1.53 0.00 0.00 34.83 33.48 3g1b s MET 116 CO 0.12 -0.12 0.01 -1.21 -2.03 0.00 0.00 175.02 171.80 3g1b s GLU 117 N -2.29 0.40 0.26 3.16 2.02 -0.45 -4.98 118.70 116.83 3g1b s GLU 117 Ca -0.08 -0.65 -0.30 0.00 0.02 0.00 0.00 54.97 53.95 3g1b s GLU 117 Cb -0.03 0.15 -0.13 0.00 0.10 0.00 0.00 34.13 34.22 3g1b s GLU 117 CO -0.03 -0.08 1.41 1.63 0.02 0.00 0.00 175.26 178.21 3g1b n LYS 118 N 1.32 2.14 0.00 1.61 5.02 -1.26 -0.72 118.16 126.26 3g1b n LYS 118 Ca -0.22 0.76 0.16 0.00 -2.02 0.00 0.00 58.31 56.98 3g1b n LYS 118 Cb 0.56 -2.42 0.89 0.00 -0.02 0.00 0.00 35.03 34.04 3g1b n LYS 118 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41