#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bgi s VAL 2 N 0.00 3.63 0.57 0.58 1.01 -1.26 -0.93 120.40 124.00 1bgi s VAL 2 Ca 0.00 -0.62 -0.13 0.00 0.00 0.00 0.00 61.98 61.23 1bgi s VAL 2 Cb 0.00 -2.77 -0.06 0.00 0.00 0.00 0.00 36.38 33.55 1bgi s VAL 2 CO 0.00 0.24 1.00 -0.36 0.00 0.00 0.00 175.10 175.99 1bgi s PHE 3 N 1.48 3.55 0.40 5.22 0.40 -0.26 -5.00 117.98 123.77 1bgi s PHE 3 Ca 0.04 1.35 -0.01 0.00 -0.60 0.00 0.00 56.93 57.71 1bgi s PHE 3 Cb -0.16 -2.74 -0.03 0.00 0.51 0.00 0.00 43.02 40.60 1bgi s PHE 3 CO -0.00 -0.54 0.63 0.20 0.70 0.00 0.00 175.22 176.21 1bgi s GLY 4 N -3.69 1.42 0.10 4.36 0.00 -1.26 -4.86 107.32 103.40 1bgi s GLY 4 Ca 0.56 -0.84 -0.31 0.00 0.00 0.00 0.00 44.72 44.14 1bgi s GLY 4 CO 0.44 -0.73 1.60 -0.09 0.00 0.00 0.00 173.10 174.32 1bgi h ARG 5 N 0.55 -0.69 -0.09 2.90 2.43 -1.97 -0.22 114.38 117.28 1bgi h ARG 5 Ca -0.48 0.05 -0.11 0.00 -0.81 0.00 0.00 59.98 58.62 1bgi h ARG 5 Cb 1.22 0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.92 1bgi h ARG 5 CO 0.61 -0.46 -0.45 0.00 -1.51 0.00 0.00 179.97 178.16 1bgi h GLU 7 N 0.18 0.70 -0.25 0.00 4.81 -1.90 -0.80 114.58 117.32 1bgi h GLU 7 Ca 0.01 -0.06 -0.12 0.00 -0.13 0.00 0.00 59.36 59.07 1bgi h GLU 7 Cb 0.87 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 30.10 1bgi h GLU 7 CO 0.07 0.50 -0.30 1.25 -0.73 0.00 0.00 179.01 179.80 1bgi h LEU 8 N 0.70 0.69 -0.61 1.64 5.85 -0.69 -2.29 115.31 120.59 1bgi h LEU 8 Ca 0.19 -0.49 0.10 0.00 0.84 0.00 0.00 57.88 58.51 1bgi h LEU 8 Cb -0.02 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 40.74 1bgi h LEU 8 CO -0.04 1.04 0.21 0.00 -0.34 0.00 0.00 178.44 179.32 1bgi h ALA 9 N 0.66 0.77 -0.44 1.25 0.00 -0.89 0.15 119.26 120.76 1bgi h ALA 9 Ca 0.03 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1bgi h ALA 9 Cb 0.87 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1bgi h ALA 9 CO 0.07 -0.22 0.09 0.00 0.00 0.00 0.00 179.25 179.20 1bgi h ALA 10 N 1.43 0.58 -0.69 0.00 0.00 -1.11 -1.23 119.26 118.24 1bgi h ALA 10 Ca 0.31 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 1bgi h ALA 10 Cb 0.40 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1bgi h ALA 10 CO -0.32 0.28 0.13 0.00 0.00 0.00 0.00 179.25 179.34 1bgi h ALA 11 N 0.95 0.93 -0.22 0.00 0.00 -0.80 -1.62 119.26 118.50 1bgi h ALA 11 Ca 0.14 -0.27 -0.14 0.00 0.00 0.00 0.00 54.91 54.64 1bgi h ALA 11 Cb 0.35 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1bgi h ALA 11 CO 0.00 0.67 -0.44 0.52 0.00 0.00 0.00 179.25 180.01 1bgi h MET 12 N 1.05 0.54 -0.34 0.00 2.86 -0.57 -2.25 114.93 116.23 1bgi h MET 12 Ca 0.21 -0.29 -0.09 0.00 -2.06 0.00 0.00 59.70 57.47 1bgi h MET 12 Cb 0.42 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.08 1bgi h MET 12 CO 0.01 0.88 -0.13 -0.22 1.06 0.00 0.00 176.91 178.51 1bgi h LYS 13 N 0.44 0.68 0.00 1.72 3.64 -1.08 -2.16 116.57 119.81 1bgi h LYS 13 Ca 0.03 -0.28 -0.00 0.00 -1.27 0.00 0.00 60.65 59.13 1bgi h LYS 13 Cb 0.94 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.73 1bgi h LYS 13 CO 0.08 0.88 -0.01 0.00 -2.27 0.00 0.00 179.45 178.13 1bgi h ARG 14 N 0.46 0.00 -0.40 1.90 3.08 -1.15 -0.74 114.38 117.54 1bgi h ARG 14 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1bgi h ARG 14 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.70 1bgi h ARG 14 CO 0.04 0.01 0.00 0.72 -1.07 0.00 0.00 179.97 179.67 1bgi n HIS 15 N -4.40 0.48 -1.50 3.04 8.25 -0.86 -4.92 115.22 115.30 1bgi n HIS 15 Ca -0.03 -0.21 -0.05 0.00 -0.26 0.00 0.00 57.72 57.16 1bgi n HIS 15 Cb 0.10 -0.05 -0.01 0.00 1.12 0.00 0.00 29.99 31.14 1bgi n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1bgi n GLY 16 N 0.84 0.55 0.17 -1.41 0.00 -0.28 -4.96 105.19 100.09 1bgi n GLY 16 Ca 0.10 -0.77 0.11 0.00 0.00 0.00 0.00 46.02 45.46 1bgi n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1bgi h LEU 17 N 0.00 0.00 -9.10 0.99 3.38 -1.58 -3.41 115.31 105.60 1bgi h LEU 17 Ca -0.11 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.29 1bgi h LEU 17 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1bgi h LEU 17 CO 0.15 0.05 1.39 -0.62 0.09 0.00 0.00 178.44 179.50 1bgi s ASP 18 N -5.88 5.82 -0.53 -0.43 2.15 -1.26 -1.35 116.67 115.18 1bgi s ASP 18 Ca 0.04 2.11 0.00 0.00 0.43 0.00 0.00 52.55 55.13 1bgi s ASP 18 Cb 0.07 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.17 1bgi s ASP 18 CO 0.73 -1.64 0.00 0.59 -0.17 0.00 0.00 175.17 174.68 1bgi n ASN 19 N 10.21 -4.22 -4.70 -0.34 5.03 0.22 -4.86 115.26 116.61 1bgi n ASN 19 Ca 0.26 0.12 -0.42 0.00 0.87 0.00 0.00 54.58 55.41 1bgi n ASN 19 Cb 0.44 -2.16 -0.03 0.00 -1.02 0.00 0.00 39.78 37.01 1bgi n ASN 19 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1bgi s TYR 20 N -1.98 2.53 -1.38 3.10 5.04 -0.46 -1.71 117.35 122.49 1bgi s TYR 20 Ca 0.00 0.33 0.00 0.00 -2.44 0.00 0.00 57.07 54.96 1bgi s TYR 20 Cb 0.00 -4.00 0.00 0.00 0.35 0.00 0.00 41.96 38.31 1bgi s TYR 20 CO 0.00 -3.94 0.00 0.54 -1.34 0.00 0.00 175.55 170.81 1bgi n ARG 21 N 5.20 -1.88 -0.59 4.97 5.12 -1.26 -1.71 116.66 126.51 1bgi n ARG 21 Ca 0.16 0.78 0.00 0.00 -1.93 0.00 0.00 57.85 56.86 1bgi n ARG 21 Cb 0.39 -5.33 0.00 0.00 -1.16 0.00 0.00 32.46 26.37 1bgi n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1bgi n GLY 22 N -0.75 0.70 3.20 -0.13 0.00 -0.69 -5.06 105.19 102.46 1bgi n GLY 22 Ca -0.18 -0.10 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 1bgi n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bgi s TYR 23 N -2.00 3.18 0.75 1.61 2.02 -0.70 -4.96 117.35 117.25 1bgi s TYR 23 Ca 0.00 -1.67 -0.14 0.00 -0.37 0.00 0.00 57.07 54.89 1bgi s TYR 23 Cb 0.00 -2.10 0.05 0.00 -0.40 0.00 0.00 41.96 39.51 1bgi s TYR 23 CO 0.00 -0.76 1.17 -1.54 -1.57 0.00 0.00 175.55 172.86 1bgi s SER 24 N 1.30 4.16 0.31 2.29 1.04 -1.26 -0.61 113.70 120.94 1bgi s SER 24 Ca -0.03 2.23 0.08 0.00 0.48 0.00 0.00 55.95 58.72 1bgi s SER 24 Cb -0.18 -2.57 0.88 0.00 0.10 0.00 0.00 66.02 64.24 1bgi s SER 24 CO -0.02 -2.28 1.69 0.25 0.98 0.00 0.00 173.24 173.87 1bgi h LEU 25 N -0.56 0.47 -1.55 2.42 5.85 -1.89 -1.28 115.31 118.77 1bgi h LEU 25 Ca -0.46 0.16 0.18 0.00 0.84 0.00 0.00 57.88 58.60 1bgi h LEU 25 Cb 1.28 0.11 -0.06 0.00 0.37 0.00 0.00 40.66 42.36 1bgi h LEU 25 CO 0.49 -0.02 0.56 1.23 -0.34 0.00 0.00 178.44 180.37 1bgi h GLY 26 N 0.42 0.78 0.93 3.75 0.00 -1.91 -1.47 103.07 105.57 1bgi h GLY 26 Ca 0.63 -0.18 -0.02 0.00 0.00 0.00 0.00 47.33 47.77 1bgi h GLY 26 CO -0.54 0.02 0.14 3.43 0.00 0.00 0.00 176.54 179.58 1bgi h ASN 27 N 0.39 0.43 -0.64 0.19 2.35 -1.44 -0.80 115.58 116.06 1bgi h ASN 27 Ca 0.43 -0.15 -0.09 0.00 -0.55 0.00 0.00 56.30 55.94 1bgi h ASN 27 Cb 1.07 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 39.30 1bgi h ASN 27 CO -0.15 0.47 0.07 -0.50 -1.65 0.00 0.00 177.43 175.67 1bgi h TRP 28 N 0.37 1.17 -0.35 1.19 4.06 -1.40 -0.92 115.95 120.07 1bgi h TRP 28 Ca 0.11 -0.17 -0.11 0.00 2.06 0.00 0.00 58.89 60.77 1bgi h TRP 28 Cb 0.16 -0.32 -0.01 0.00 -1.00 0.00 0.00 29.16 28.00 1bgi h TRP 28 CO -0.01 0.99 -0.21 0.28 -3.56 0.00 0.00 178.44 175.94 1bgi h VAL 29 N 1.01 1.29 -0.64 1.49 2.07 -1.32 -2.14 116.25 118.01 1bgi h VAL 29 Ca 0.19 -1.34 -0.03 0.00 0.82 0.00 0.00 66.70 66.34 1bgi h VAL 29 Cb 0.48 1.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.61 1bgi h VAL 29 CO 0.02 0.44 0.29 0.00 0.02 0.00 0.00 177.57 178.34 1bgi h ALA 31 N 1.13 0.22 -0.71 0.00 0.00 -1.09 -2.40 119.26 116.40 1bgi h ALA 31 Ca 0.22 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1bgi h ALA 31 Cb 0.15 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1bgi h ALA 31 CO -0.02 -0.26 0.43 0.00 0.00 0.00 0.00 179.25 179.40 1bgi h ALA 32 N 1.00 1.42 0.34 0.00 0.00 -1.19 0.34 119.26 121.17 1bgi h ALA 32 Ca 0.06 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1bgi h ALA 32 Cb 0.05 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1bgi h ALA 32 CO -0.01 0.51 -0.16 -0.22 0.00 0.00 0.00 179.25 179.36 1bgi h LYS 33 N 0.98 -0.43 0.00 0.00 1.63 -1.02 -1.74 116.57 115.99 1bgi h LYS 33 Ca 0.26 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 60.09 1bgi h LYS 33 Cb -0.04 0.10 0.00 0.00 -0.60 0.00 0.00 32.23 31.68 1bgi h LYS 33 CO -0.05 -0.26 -0.06 0.74 -3.45 0.00 0.00 179.45 176.37 1bgi h PHE 34 N -0.50 0.00 0.15 1.91 0.04 -1.13 0.15 116.94 117.56 1bgi h PHE 34 Ca -0.05 0.00 -0.26 0.00 2.80 0.00 0.00 57.97 60.46 1bgi h PHE 34 Cb 0.37 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.54 1bgi h PHE 34 CO -0.04 0.00 -1.25 0.93 -0.60 0.00 0.00 178.31 177.35 1bgi h GLU 35 N 0.00 0.31 0.00 1.51 4.39 -0.29 -3.43 114.58 117.07 1bgi h GLU 35 Ca 0.00 -0.53 0.00 0.00 0.34 0.00 0.00 59.36 59.17 1bgi h GLU 35 Cb 0.86 0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.71 1bgi h GLU 35 CO 0.00 1.25 0.00 -1.13 -1.16 0.00 0.00 179.01 177.97 1bgi n SER 36 N -3.94 0.24 -3.29 1.42 3.41 -0.70 -4.87 113.62 105.89 1bgi n SER 36 Ca -0.20 -1.04 -0.24 0.00 -0.26 0.00 0.00 58.87 57.13 1bgi n SER 36 Cb 0.91 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.91 1bgi n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1bgi n ASN 37 N -0.02 -5.99 -0.86 4.04 5.15 0.51 -1.74 115.26 116.36 1bgi n ASN 37 Ca 0.00 -0.41 -0.11 0.00 -0.60 0.00 0.00 54.58 53.46 1bgi n ASN 37 Cb 0.26 -4.80 -0.05 0.00 -0.53 0.00 0.00 39.78 34.66 1bgi n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1bgi n PHE 38 N -4.65 0.00 -3.58 1.20 3.72 -1.09 -4.85 117.46 108.20 1bgi n PHE 38 Ca -0.06 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 56.96 1bgi n PHE 38 Cb 0.59 -2.26 -0.10 0.00 -0.94 0.00 0.00 39.48 36.77 1bgi n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1bgi s ASN 39 N -2.68 6.08 0.17 4.37 3.84 -0.71 -1.10 114.94 124.91 1bgi s ASN 39 Ca 0.00 0.07 0.20 0.00 0.21 0.00 0.00 52.86 53.34 1bgi s ASN 39 Cb 0.00 -2.13 0.85 0.00 -0.55 0.00 0.00 41.25 39.43 1bgi s ASN 39 CO 0.00 -0.03 1.62 0.35 -2.79 0.00 0.00 177.10 176.25 1bgi n THR 40 N 4.85 0.89 -0.13 -5.21 -2.24 -0.10 -2.89 114.28 109.44 1bgi n THR 40 Ca -0.14 0.24 0.09 0.00 -2.27 0.00 0.00 64.05 61.98 1bgi n THR 40 Cb 0.52 -1.10 0.23 0.00 -2.10 0.00 0.00 70.33 67.88 1bgi n THR 40 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bgi n GLN 41 N -1.98 2.60 -2.05 -0.78 6.02 -1.26 -3.97 117.38 115.96 1bgi n GLN 41 Ca 0.03 -2.31 -0.42 0.00 -0.01 0.00 0.00 57.00 54.29 1bgi n GLN 41 Cb 0.21 -1.44 -0.03 0.00 1.02 0.00 0.00 30.24 30.00 1bgi n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1bgi s ALA 42 N -1.09 3.64 0.04 -1.58 0.00 -1.14 -4.77 121.76 116.85 1bgi s ALA 42 Ca 0.37 1.27 0.03 0.00 0.00 0.00 0.00 51.96 53.63 1bgi s ALA 42 Cb 0.20 -3.56 -0.02 0.00 0.00 0.00 0.00 23.12 19.74 1bgi s ALA 42 CO 0.26 -0.70 -0.10 0.95 0.00 0.00 0.00 175.76 176.18 1bgi s THR 43 N 0.42 0.77 -0.02 0.00 -4.23 -1.26 -1.13 115.64 110.19 1bgi s THR 43 Ca 0.62 -0.94 0.00 0.00 -1.18 0.00 0.00 61.69 60.19 1bgi s THR 43 Cb -0.41 -0.75 0.03 0.00 1.34 0.00 0.00 72.50 72.72 1bgi s THR 43 CO 0.38 -0.16 0.02 0.21 -0.54 0.00 0.00 174.62 174.53 1bgi s ASN 44 N -1.22 0.17 0.10 3.99 2.47 -0.57 -4.94 114.94 114.94 1bgi s ASN 44 Ca -0.03 0.02 -0.15 0.00 0.42 0.00 0.00 52.86 53.11 1bgi s ASN 44 Cb -0.08 -0.12 -0.07 0.00 -1.45 0.00 0.00 41.25 39.54 1bgi s ASN 44 CO 0.01 -0.12 0.52 -0.13 -3.72 0.00 0.00 177.10 173.66 1bgi s ARG 45 N 1.05 4.01 0.28 0.43 3.00 -1.26 -0.10 118.95 126.36 1bgi s ARG 45 Ca -0.09 0.52 0.10 0.00 0.00 0.00 0.00 55.73 56.26 1bgi s ARG 45 Cb -0.13 -3.07 -0.05 0.00 0.00 0.00 0.00 34.95 31.70 1bgi s ARG 45 CO -0.03 0.57 -0.04 -0.80 0.00 0.00 0.00 175.30 175.00 1bgi s ASN 46 N -1.45 4.31 0.47 0.23 0.01 0.13 -4.97 114.94 113.67 1bgi s ASN 46 Ca 0.33 -0.77 0.16 0.00 -0.71 0.00 0.00 52.86 51.87 1bgi s ASN 46 Cb -0.16 -0.69 1.10 0.00 0.41 0.00 0.00 41.25 41.91 1bgi s ASN 46 CO 0.18 -0.02 2.04 0.71 -1.51 0.00 0.00 177.10 178.50 1bgi h THR 47 N 1.95 1.06 0.00 1.60 1.35 -1.99 -1.94 112.91 114.95 1bgi h THR 47 Ca -0.43 -0.46 0.00 0.00 -0.55 0.00 0.00 66.41 64.97 1bgi h THR 47 Cb 1.25 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 68.92 1bgi h THR 47 CO 0.61 0.13 0.00 -0.90 -0.25 0.00 0.00 175.52 175.11 1bgi n ASP 48 N -4.34 0.00 0.00 5.36 5.75 -1.26 -4.84 116.55 117.23 1bgi n ASP 48 Ca -0.03 -1.90 0.00 0.00 -0.01 0.00 0.00 54.79 52.86 1bgi n ASP 48 Cb 0.20 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.29 1bgi n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1bgi n GLY 49 N 0.50 1.36 3.91 6.12 0.00 -0.73 -4.74 105.19 111.62 1bgi n GLY 49 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 1bgi n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bgi s SER 50 N -3.10 5.58 0.02 1.61 1.04 -1.25 -4.55 113.70 113.05 1bgi s SER 50 Ca 0.00 0.74 0.03 0.00 0.48 0.00 0.00 55.95 57.20 1bgi s SER 50 Cb 0.00 -1.72 -0.02 0.00 0.10 0.00 0.00 66.02 64.38 1bgi s SER 50 CO 0.00 -1.08 -0.08 -0.89 0.98 0.00 0.00 173.24 172.17 1bgi s THR 51 N -3.02 0.61 -0.17 2.02 2.01 -1.26 0.20 115.64 116.04 1bgi s THR 51 Ca 0.54 -0.73 -0.09 0.00 0.31 0.00 0.00 61.69 61.72 1bgi s THR 51 Cb -0.11 -0.60 -0.05 0.00 0.01 0.00 0.00 72.50 71.76 1bgi s THR 51 CO 0.46 -0.11 0.12 -1.81 -0.69 0.00 0.00 174.62 172.59 1bgi s ASP 52 N -0.92 6.15 -0.01 3.53 1.01 0.86 -1.42 116.67 125.87 1bgi s ASP 52 Ca -0.03 0.27 0.08 0.00 0.71 0.00 0.00 52.55 53.58 1bgi s ASP 52 Cb -0.06 -2.05 -0.02 0.00 1.01 0.00 0.00 42.92 41.80 1bgi s ASP 52 CO 0.00 0.24 -0.25 -0.31 0.21 0.00 0.00 175.17 175.07 1bgi s TYR 53 N -0.04 2.21 0.00 4.23 1.51 -0.13 -1.52 117.35 123.62 1bgi s TYR 53 Ca 0.09 -0.42 0.00 0.00 -1.01 0.00 0.00 57.07 55.74 1bgi s TYR 53 Cb -0.11 -1.41 0.00 0.00 -0.11 0.00 0.00 41.96 40.33 1bgi s TYR 53 CO -0.00 -0.01 0.00 0.41 -1.11 0.00 0.00 175.55 174.84 1bgi n GLY 54 N 2.37 -2.14 0.26 0.71 0.00 -0.28 -1.41 105.19 104.70 1bgi n GLY 54 Ca -0.16 -1.46 0.07 0.00 0.00 0.00 0.00 46.02 44.48 1bgi n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1bgi h ILE 55 N -0.01 1.02 -0.48 -0.61 2.10 -1.68 -1.66 117.51 116.18 1bgi h ILE 55 Ca 0.00 -0.09 0.00 0.00 1.08 0.00 0.00 64.86 65.85 1bgi h ILE 55 Cb 0.01 1.01 0.00 0.00 -1.09 0.00 0.00 36.82 36.76 1bgi h ILE 55 CO 0.00 0.03 0.00 0.18 -1.08 0.00 0.00 178.15 177.28 1bgi n LEU 56 N -4.51 3.31 -3.79 2.19 4.77 -1.26 -4.12 117.00 113.59 1bgi n LEU 56 Ca -0.03 -1.95 -0.35 0.00 -0.03 0.00 0.00 56.01 53.65 1bgi n LEU 56 Cb 0.11 -0.32 0.03 0.00 -2.33 0.00 0.00 43.42 40.91 1bgi n LEU 56 CO 0.34 0.82 -0.10 0.00 -1.33 0.00 0.00 177.39 177.12 1bgi n GLN 57 N 0.98 -0.94 -2.70 3.23 1.13 -0.62 -4.92 117.38 113.53 1bgi n GLN 57 Ca 0.17 0.39 -0.42 0.00 -1.94 0.00 0.00 57.00 55.19 1bgi n GLN 57 Cb 0.50 -3.59 -0.03 0.00 0.11 0.00 0.00 30.24 27.23 1bgi n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1bgi s ILE 58 N -3.44 4.85 0.22 5.09 1.01 -0.50 -4.41 121.20 124.02 1bgi s ILE 58 Ca 0.45 2.05 -0.30 0.00 0.00 0.00 0.00 60.65 62.85 1bgi s ILE 58 Cb -0.19 -4.32 -0.09 0.00 0.01 0.00 0.00 42.46 37.88 1bgi s ILE 58 CO 0.89 0.14 0.98 0.21 0.00 0.00 0.00 174.94 177.16 1bgi s ASN 59 N 1.02 7.54 0.00 3.58 3.84 -1.26 -0.95 114.94 128.71 1bgi s ASN 59 Ca 0.52 1.98 0.29 0.00 0.21 0.00 0.00 52.86 55.86 1bgi s ASN 59 Cb -0.21 -2.61 1.27 0.00 -0.55 0.00 0.00 41.25 39.16 1bgi s ASN 59 CO 0.27 0.06 1.93 -1.54 -2.79 0.00 0.00 177.10 175.02 1bgi n SER 60 N 1.69 0.06 0.12 -4.21 3.41 -0.51 -1.97 113.62 112.22 1bgi n SER 60 Ca -0.01 0.20 -0.20 0.00 -0.26 0.00 0.00 58.87 58.60 1bgi n SER 60 Cb 0.47 -0.36 -0.15 0.00 -0.26 0.00 0.00 64.21 63.91 1bgi n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1bgi h ARG 61 N 0.04 0.41 0.00 4.33 2.43 -1.85 -3.42 114.38 116.31 1bgi h ARG 61 Ca 0.00 -0.69 -0.20 0.00 -0.81 0.00 0.00 59.98 58.29 1bgi h ARG 61 Cb 0.43 0.25 -0.04 0.00 -0.42 0.00 0.00 29.97 30.20 1bgi h ARG 61 CO 0.00 1.33 -1.75 0.91 -1.51 0.00 0.00 179.97 178.95 1bgi n TRP 62 N -3.63 0.00 -0.11 2.20 7.02 -1.24 -0.80 117.44 120.88 1bgi n TRP 62 Ca -0.12 0.00 -0.17 0.00 -1.02 0.00 0.00 57.50 56.19 1bgi n TRP 62 Cb 1.06 -0.51 -0.06 0.00 -2.42 0.00 0.00 31.31 29.38 1bgi n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1bgi n TRP 63 N -2.79 0.24 -4.33 -5.99 7.02 -0.83 -0.79 117.44 109.97 1bgi n TRP 63 Ca -0.22 0.11 -0.26 0.00 -1.02 0.00 0.00 57.50 56.10 1bgi n TRP 63 Cb 0.77 -0.78 -0.09 0.00 -2.42 0.00 0.00 31.31 28.79 1bgi n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1bgi s ASN 65 N -2.99 6.08 0.00 0.00 2.47 -0.55 -4.31 114.94 115.63 1bgi s ASN 65 Ca 0.26 0.06 0.09 0.00 0.42 0.00 0.00 52.86 53.69 1bgi s ASN 65 Cb -0.08 -2.12 0.14 0.00 -1.45 0.00 0.00 41.25 37.74 1bgi s ASN 65 CO 0.15 -0.01 0.94 -0.90 -3.72 0.00 0.00 177.10 173.56 1bgi n ASP 66 N 4.75 2.13 0.00 -4.21 5.75 -1.26 -0.74 116.55 122.96 1bgi n ASP 66 Ca -0.14 -1.60 0.00 0.00 -0.01 0.00 0.00 54.79 53.04 1bgi n ASP 66 Cb 0.52 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.54 1bgi n ASP 66 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1bgi n GLY 67 N 0.49 0.47 0.00 6.12 0.00 -1.26 -4.77 105.19 106.24 1bgi n GLY 67 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1bgi n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1bgi n ARG 68 N -1.80 0.87 -3.63 1.61 1.85 -1.26 -5.04 116.66 109.26 1bgi n ARG 68 Ca 0.00 -0.77 -0.39 0.00 -1.00 0.00 0.00 57.85 55.69 1bgi n ARG 68 Cb 0.05 -0.76 -0.11 0.00 -1.05 0.00 0.00 32.46 30.59 1bgi n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1bgi s THR 69 N -0.35 4.64 0.24 8.89 2.01 -1.26 -4.93 115.64 124.88 1bgi s THR 69 Ca 0.00 -0.50 -0.30 0.00 0.31 0.00 0.00 61.69 61.20 1bgi s THR 69 Cb 0.00 -3.41 -0.10 0.00 0.01 0.00 0.00 72.50 69.00 1bgi s THR 69 CO 0.00 -0.00 1.40 -2.16 -0.69 0.00 0.00 174.62 173.17 1bgi s PRO 70 N 1.61 4.30 -0.27 4.92 0.04 -1.26 -3.06 135.00 141.28 1bgi s PRO 70 Ca 0.04 2.23 0.00 0.00 0.04 0.00 0.00 61.00 63.32 1bgi s PRO 70 Cb -0.17 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.23 1bgi s PRO 70 CO 0.07 -0.37 0.00 0.41 0.04 0.00 0.00 177.00 177.15 1bgi n GLY 71 N 2.22 0.47 3.69 0.56 0.00 -1.26 -4.95 105.19 105.92 1bgi n GLY 71 Ca 0.06 -0.89 -0.42 0.00 0.00 0.00 0.00 46.02 44.78 1bgi n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1bgi s SER 72 N -2.94 6.73 -0.01 1.61 0.15 -1.17 -4.77 113.70 113.30 1bgi s SER 72 Ca 0.00 2.31 0.22 0.00 0.70 0.00 0.00 55.95 59.17 1bgi s SER 72 Cb 0.00 -2.56 -0.24 0.00 -1.71 0.00 0.00 66.02 61.51 1bgi s SER 72 CO 0.00 -0.79 0.78 0.54 1.20 0.00 0.00 173.24 174.97 1bgi n ARG 73 N 5.30 0.24 -4.20 5.44 1.74 0.02 -5.00 116.66 120.19 1bgi n ARG 73 Ca 0.14 -0.07 -0.37 0.00 -0.77 0.00 0.00 57.85 56.79 1bgi n ARG 73 Cb 0.42 -1.51 -0.05 0.00 -1.02 0.00 0.00 32.46 30.30 1bgi n ARG 73 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1bgi n ASN 74 N -1.78 -1.04 0.26 0.55 5.15 -1.14 -4.85 115.26 112.41 1bgi n ASN 74 Ca 0.01 -1.27 0.13 0.00 -0.60 0.00 0.00 54.58 52.86 1bgi n ASN 74 Cb 0.42 -1.72 0.69 0.00 -0.53 0.00 0.00 39.78 38.63 1bgi n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1bgi h LEU 75 N -2.11 0.00 0.00 1.20 3.38 -0.70 -1.61 115.31 115.48 1bgi h LEU 75 Ca -0.68 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.29 1bgi h LEU 75 Cb 1.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.15 1bgi h LEU 75 CO 0.63 0.12 -0.50 0.00 0.09 0.00 0.00 178.44 178.79 1bgi n ASN 77 N -1.54 -5.88 -3.65 0.00 3.02 -0.61 -4.98 115.26 101.63 1bgi n ASN 77 Ca 0.05 -0.88 -0.15 0.00 -0.03 0.00 0.00 54.58 53.57 1bgi n ASN 77 Cb 0.34 -4.07 -0.07 0.00 -0.61 0.00 0.00 39.78 35.36 1bgi n ASN 77 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1bgi s ILE 78 N -3.42 0.03 0.38 2.41 -4.36 -1.26 -5.07 121.20 109.91 1bgi s ILE 78 Ca 0.46 -0.21 -0.25 0.00 -0.26 0.00 0.00 60.65 60.38 1bgi s ILE 78 Cb -0.13 -0.80 -0.09 0.00 1.25 0.00 0.00 42.46 42.70 1bgi s ILE 78 CO 0.82 -0.12 1.13 -2.84 0.24 0.00 0.00 174.94 174.17 1bgi s PRO 79 N -1.08 4.16 0.55 0.37 0.02 -1.26 -1.48 135.00 136.28 1bgi s PRO 79 Ca -0.11 1.74 0.25 0.00 0.02 0.00 0.00 61.00 62.90 1bgi s PRO 79 Cb -0.03 -2.70 1.55 0.00 0.02 0.00 0.00 34.50 33.34 1bgi s PRO 79 CO 0.06 -0.20 2.18 0.00 -0.33 0.00 0.00 177.00 178.71 1bgi h SER 81 N 0.00 0.23 0.74 0.00 4.64 -1.91 -0.59 113.55 116.65 1bgi h SER 81 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.32 1bgi h SER 81 Cb 0.09 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1bgi h SER 81 CO 0.01 0.14 -0.03 0.00 -0.87 0.00 0.00 176.83 176.07 1bgi h ALA 82 N 1.74 1.03 -0.08 5.18 0.00 -1.74 -2.64 119.26 122.75 1bgi h ALA 82 Ca 0.23 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1bgi h ALA 82 Cb 0.59 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1bgi h ALA 82 CO -0.05 0.04 0.00 1.28 0.00 0.00 0.00 179.25 180.52 1bgi n LEU 83 N -3.17 0.97 -0.95 0.00 4.77 -0.23 -3.33 117.00 115.05 1bgi n LEU 83 Ca -0.00 -0.40 0.08 0.00 -0.03 0.00 0.00 56.01 55.66 1bgi n LEU 83 Cb 0.26 -0.05 0.22 0.00 -2.33 0.00 0.00 43.42 41.52 1bgi n LEU 83 CO 0.27 0.20 0.69 0.18 -1.33 0.00 0.00 177.39 177.39 1bgi n LEU 84 N -0.15 3.36 -4.79 2.23 4.77 -0.99 -3.92 117.00 117.50 1bgi n LEU 84 Ca 0.16 -1.96 -0.32 0.00 -0.03 0.00 0.00 56.01 53.86 1bgi n LEU 84 Cb 0.23 -0.34 0.04 0.00 -2.33 0.00 0.00 43.42 41.02 1bgi n LEU 84 CO 0.13 0.83 0.72 -0.55 -1.33 0.00 0.00 177.39 177.19 1bgi s SER 85 N -1.02 5.34 0.48 -1.43 0.15 -1.21 -4.57 113.70 111.44 1bgi s SER 85 Ca 0.34 1.87 0.27 0.00 0.70 0.00 0.00 55.95 59.14 1bgi s SER 85 Cb 0.18 -2.54 1.03 0.00 -1.71 0.00 0.00 66.02 62.98 1bgi s SER 85 CO 0.24 -1.47 1.86 0.28 1.20 0.00 0.00 173.24 175.35 1bgi h SER 86 N 0.01 0.00 -3.39 5.45 0.02 -1.92 -3.41 113.55 110.29 1bgi h SER 86 Ca -0.46 0.00 -0.59 0.00 -0.84 0.00 0.00 61.79 59.90 1bgi h SER 86 Cb 1.23 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.68 1bgi h SER 86 CO 0.55 0.13 0.11 -0.62 -1.14 0.00 0.00 176.83 175.87 1bgi s ASP 87 N -6.02 6.74 0.00 3.07 -1.08 -1.26 -4.87 116.67 113.25 1bgi s ASP 87 Ca 0.01 0.90 0.16 0.00 -0.52 0.00 0.00 52.55 53.10 1bgi s ASP 87 Cb 0.09 -2.36 0.84 0.00 -1.46 0.00 0.00 42.92 40.04 1bgi s ASP 87 CO 0.61 -0.24 1.56 2.30 0.52 0.00 0.00 175.17 179.92 1bgi n ILE 88 N 4.49 0.07 0.08 4.11 -5.35 -1.26 -4.42 119.36 117.07 1bgi n ILE 88 Ca -0.01 -0.10 -0.12 0.00 -0.27 0.00 0.00 62.75 62.24 1bgi n ILE 88 Cb 0.50 -0.08 -0.05 0.00 -1.74 0.00 0.00 39.64 38.27 1bgi n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1bgi h THR 89 N 0.61 0.38 -0.97 7.28 2.02 -1.95 -0.70 112.91 119.57 1bgi h THR 89 Ca 0.00 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.21 1bgi h THR 89 Cb 0.13 0.38 -0.06 0.00 -1.74 0.00 0.00 68.15 66.87 1bgi h THR 89 CO 0.00 0.00 0.64 0.00 0.37 0.00 0.00 175.52 176.53 1bgi h ALA 90 N 0.32 1.36 -0.25 6.16 0.00 -1.88 0.00 119.26 124.98 1bgi h ALA 90 Ca 0.05 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1bgi h ALA 90 Cb 0.51 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1bgi h ALA 90 CO -0.21 0.54 -0.02 0.77 0.00 0.00 0.00 179.25 180.33 1bgi h SER 91 N 1.24 0.46 -0.37 0.00 0.02 -1.77 -1.92 113.55 111.20 1bgi h SER 91 Ca 0.39 -0.33 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 1bgi h SER 91 Cb -0.01 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 1bgi h SER 91 CO -0.12 0.67 0.19 0.58 -1.14 0.00 0.00 176.83 177.02 1bgi h VAL 92 N 0.23 1.16 -1.01 2.27 2.07 -0.68 0.11 116.25 120.41 1bgi h VAL 92 Ca 0.07 -0.45 0.01 0.00 0.82 0.00 0.00 66.70 67.15 1bgi h VAL 92 Cb 0.45 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 30.94 1bgi h VAL 92 CO 0.02 0.17 0.67 0.78 0.02 0.00 0.00 177.57 179.22 1bgi h ASN 93 N 0.47 1.15 -0.29 0.57 2.35 -0.97 -0.20 115.58 118.66 1bgi h ASN 93 Ca 0.13 -0.03 -0.18 0.00 -0.55 0.00 0.00 56.30 55.67 1bgi h ASN 93 Cb 0.10 -0.29 -0.00 0.00 0.05 0.00 0.00 38.32 38.18 1bgi h ASN 93 CO -0.02 0.83 -0.53 0.00 -1.65 0.00 0.00 177.43 176.06 1bgi h ALA 95 N 0.70 1.38 -0.51 0.00 0.00 -0.16 -0.01 119.26 120.67 1bgi h ALA 95 Ca 0.02 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1bgi h ALA 95 Cb 1.14 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1bgi h ALA 95 CO 0.12 0.47 0.22 0.87 0.00 0.00 0.00 179.25 180.93 1bgi h LYS 96 N 1.20 0.72 -0.18 0.00 1.57 -1.01 -1.46 116.57 117.41 1bgi h LYS 96 Ca 0.43 -0.10 -0.14 0.00 -1.87 0.00 0.00 60.65 58.97 1bgi h LYS 96 Cb 0.13 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1bgi h LYS 96 CO -0.16 0.58 -0.43 -0.22 -0.57 0.00 0.00 179.45 178.65 1bgi h LYS 97 N 0.72 0.61 -0.56 3.15 3.64 -1.00 -2.67 116.57 120.48 1bgi h LYS 97 Ca 0.18 -0.41 0.02 0.00 -1.27 0.00 0.00 60.65 59.16 1bgi h LYS 97 Cb 0.12 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.96 1bgi h LYS 97 CO -0.02 1.03 0.34 0.82 -2.27 0.00 0.00 179.45 179.36 1bgi h ILE 98 N 0.29 1.08 0.00 2.00 2.04 -0.62 -2.02 117.51 120.28 1bgi h ILE 98 Ca -0.00 -0.24 -0.06 0.00 1.00 0.00 0.00 64.86 65.56 1bgi h ILE 98 Cb 1.03 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 1bgi h ILE 98 CO 0.09 0.13 -0.30 1.62 0.00 0.00 0.00 178.15 179.69 1bgi h VAL 99 N 0.69 0.67 0.00 1.67 3.04 -1.30 -3.01 116.25 118.00 1bgi h VAL 99 Ca 0.22 -1.39 -0.04 0.00 -1.01 0.00 0.00 66.70 64.48 1bgi h VAL 99 Cb -0.01 1.91 -0.01 0.00 -2.01 0.00 0.00 31.29 31.18 1bgi h VAL 99 CO -0.08 0.29 -0.24 0.28 -1.01 0.00 0.00 177.57 176.81 1bgi h SER 100 N 0.00 0.00 0.00 3.17 0.02 -1.06 -3.20 113.55 112.48 1bgi h SER 100 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1bgi h SER 100 Cb 0.89 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.43 1bgi h SER 100 CO 0.04 0.18 0.00 0.47 -1.14 0.00 0.00 176.83 176.38 1bgi n ASP 101 N -3.12 0.00 0.00 3.07 9.92 -0.81 -4.77 116.55 120.83 1bgi n ASP 101 Ca 0.03 -0.24 0.00 0.00 -0.53 0.00 0.00 54.79 54.05 1bgi n ASP 101 Cb 0.61 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.09 1bgi n ASP 101 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1bgi n GLY 102 N -0.55 1.91 0.38 0.44 0.00 -1.25 -4.97 105.19 101.16 1bgi n GLY 102 Ca 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1bgi n GLY 102 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1bgi n ASN 103 N 0.06 0.00 0.00 1.61 4.05 -1.26 -5.14 115.26 114.58 1bgi n ASN 103 Ca 0.00 -1.11 0.00 0.00 0.45 0.00 0.00 54.58 53.92 1bgi n ASN 103 Cb 0.01 -0.02 0.00 0.00 1.23 0.00 0.00 39.78 41.00 1bgi n ASN 103 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1bgi n GLY 104 N 0.00 2.33 0.41 8.20 0.00 -1.21 -2.30 105.19 112.61 1bgi n GLY 104 Ca 0.00 -0.20 0.07 0.00 0.00 0.00 0.00 46.02 45.89 1bgi n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1bgi n MET 105 N 14.00 1.52 0.09 1.61 2.81 -1.26 -3.97 117.12 131.92 1bgi n MET 105 Ca 0.00 -0.80 0.09 0.00 -1.81 0.00 0.00 57.70 55.19 1bgi n MET 105 Cb 0.00 -1.27 0.41 0.00 -0.71 0.00 0.00 33.22 31.65 1bgi n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1bgi n ASN 106 N 0.08 0.41 0.23 7.83 5.03 -0.97 -1.56 115.26 126.30 1bgi n ASN 106 Ca 0.12 0.62 0.07 0.00 0.87 0.00 0.00 54.58 56.26 1bgi n ASN 106 Cb 0.22 -0.70 0.56 0.00 -1.02 0.00 0.00 39.78 38.84 1bgi n ASN 106 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1bgi h ALA 107 N 2.25 1.69 -2.19 5.41 0.00 -1.77 -3.38 119.26 121.27 1bgi h ALA 107 Ca 0.00 -0.13 -0.69 0.00 0.00 0.00 0.00 54.91 54.09 1bgi h ALA 107 Cb 0.23 -0.02 -0.19 0.00 0.00 0.00 0.00 17.79 17.81 1bgi h ALA 107 CO 0.00 0.18 -0.05 -1.58 0.00 0.00 0.00 179.25 177.80 1bgi s TRP 108 N -4.66 3.10 0.27 0.00 0.51 -0.60 -4.96 118.94 112.60 1bgi s TRP 108 Ca -0.04 -0.51 -0.03 0.00 -2.12 0.00 0.00 56.10 53.40 1bgi s TRP 108 Cb 0.16 -3.33 0.34 0.00 -0.81 0.00 0.00 33.47 29.83 1bgi s TRP 108 CO 0.68 -0.92 1.86 -0.39 -0.51 0.00 0.00 176.95 177.67 1bgi h VAL 109 N 5.82 1.23 -0.84 4.03 -1.51 -1.85 -0.63 116.25 122.51 1bgi h VAL 109 Ca -0.27 -0.67 -0.02 0.00 -1.23 0.00 0.00 66.70 64.51 1bgi h VAL 109 Cb 1.10 0.34 -0.04 0.00 -2.13 0.00 0.00 31.29 30.56 1bgi h VAL 109 CO 0.91 0.28 0.45 0.00 -1.23 0.00 0.00 177.57 177.98 1bgi h ALA 110 N 1.34 1.21 -0.10 5.19 0.00 -1.93 0.81 119.26 125.78 1bgi h ALA 110 Ca 0.25 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1bgi h ALA 110 Cb 0.13 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 1bgi h ALA 110 CO -0.03 0.63 -0.03 2.35 0.00 0.00 0.00 179.25 182.17 1bgi h TRP 111 N 1.17 0.22 -0.77 0.00 7.01 -1.72 0.90 115.95 122.77 1bgi h TRP 111 Ca 0.29 -0.05 0.08 0.00 2.11 0.00 0.00 58.89 61.33 1bgi h TRP 111 Cb 0.05 -0.05 -0.07 0.00 -2.10 0.00 0.00 29.16 26.98 1bgi h TRP 111 CO 0.01 0.52 0.43 -0.09 -2.79 0.00 0.00 178.44 176.51 1bgi h ARG 112 N -0.13 0.72 0.00 2.65 2.43 -0.67 0.02 114.38 119.40 1bgi h ARG 112 Ca 0.03 -0.04 -0.24 0.00 -0.81 0.00 0.00 59.98 58.91 1bgi h ARG 112 Cb 0.45 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 29.79 1bgi h ARG 112 CO 0.01 0.47 -1.71 0.09 -1.51 0.00 0.00 179.97 177.32 1bgi n ASN 113 N -4.77 0.69 -0.07 -3.80 3.02 0.24 -4.33 115.26 106.24 1bgi n ASN 113 Ca 0.12 0.32 0.02 0.00 -0.03 0.00 0.00 54.58 55.00 1bgi n ASN 113 Cb 0.25 0.27 -0.00 0.00 -0.61 0.00 0.00 39.78 39.69 1bgi n ASN 113 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1bgi n ARG 114 N -2.91 2.52 -0.00 3.52 1.74 0.31 -4.83 116.66 117.01 1bgi n ARG 114 Ca -0.16 -0.37 -0.02 0.00 -0.77 0.00 0.00 57.85 56.53 1bgi n ARG 114 Cb 0.97 -0.87 -0.01 0.00 -1.02 0.00 0.00 32.46 31.54 1bgi n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1bgi n LYS 116 N -3.12 1.89 0.00 0.00 4.81 -0.18 -1.23 118.16 120.33 1bgi n LYS 116 Ca -0.03 0.68 0.00 0.00 -0.87 0.00 0.00 58.31 58.09 1bgi n LYS 116 Cb 0.47 -2.42 0.00 0.00 0.02 0.00 0.00 35.03 33.10 1bgi n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1bgi n GLY 117 N 3.18 1.25 3.97 3.14 0.00 -1.26 -4.90 105.19 110.57 1bgi n GLY 117 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 1bgi n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1bgi s THR 118 N -2.29 2.31 -1.02 2.61 -4.23 -0.36 -5.02 115.64 107.62 1bgi s THR 118 Ca 0.00 -1.19 -0.20 0.00 -1.18 0.00 0.00 61.69 59.12 1bgi s THR 118 Cb 0.00 -2.49 0.09 0.00 1.34 0.00 0.00 72.50 71.43 1bgi s THR 118 CO 0.00 0.00 1.36 -0.62 -0.54 0.00 0.00 174.62 174.82 1bgi s ASP 119 N -4.40 6.61 0.51 3.99 2.15 -1.26 -4.85 116.67 119.41 1bgi s ASP 119 Ca 0.51 -1.84 0.32 0.00 0.43 0.00 0.00 52.55 51.97 1bgi s ASP 119 Cb -0.05 -2.50 1.28 0.00 -0.30 0.00 0.00 42.92 41.35 1bgi s ASP 119 CO 0.31 -1.28 1.94 -0.37 -0.17 0.00 0.00 175.17 175.61 1bgi h VAL 120 N 6.22 0.00 0.00 1.11 -1.51 -1.91 -2.88 116.25 117.28 1bgi h VAL 120 Ca 0.21 -0.49 -0.01 0.00 -1.23 0.00 0.00 66.70 65.18 1bgi h VAL 120 Cb 0.99 1.46 -0.00 0.00 -2.13 0.00 0.00 31.29 31.61 1bgi h VAL 120 CO 1.31 0.00 -0.03 0.06 -1.23 0.00 0.00 177.57 177.67 1bgi h GLN 121 N 0.00 0.00 0.00 5.19 -0.00 -1.88 -1.17 115.11 117.25 1bgi h GLN 121 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1bgi h GLN 121 Cb 0.51 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 27.99 1bgi h GLN 121 CO 0.00 0.03 -0.00 0.00 -0.00 0.00 0.00 178.83 178.86 1bgi h ALA 122 N 1.97 1.19 0.00 0.06 0.00 -1.90 -1.28 119.26 119.29 1bgi h ALA 122 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1bgi h ALA 122 Cb 0.29 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1bgi h ALA 122 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 179.25 177.77 1bgi h TRP 123 N 0.00 0.00 -0.05 0.00 4.06 -1.43 -2.96 115.95 115.56 1bgi h TRP 123 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1bgi h TRP 123 Cb 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.17 1bgi h TRP 123 CO 0.00 0.00 0.00 0.44 -3.56 0.00 0.00 178.44 175.32 1bgi n ILE 124 N -3.05 0.10 -1.82 1.49 -5.35 -0.49 -4.84 119.36 105.40 1bgi n ILE 124 Ca 0.01 -0.55 -0.41 0.00 -0.27 0.00 0.00 62.75 61.52 1bgi n ILE 124 Cb 0.30 1.15 -0.01 0.00 -1.74 0.00 0.00 39.64 39.34 1bgi n ILE 124 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1bgi s ARG 125 N -0.93 4.14 0.00 6.28 3.52 -1.12 -2.37 118.95 128.47 1bgi s ARG 125 Ca 0.14 2.54 0.00 0.00 -0.13 0.00 0.00 55.73 58.28 1bgi s ARG 125 Cb 0.09 -3.01 0.00 0.00 -1.56 0.00 0.00 34.95 30.47 1bgi s ARG 125 CO 0.14 -0.57 0.00 0.41 -0.81 0.00 0.00 175.30 174.47 1bgi n GLY 126 N 1.55 1.29 3.91 8.12 0.00 -1.26 -5.05 105.19 113.75 1bgi n GLY 126 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 1bgi n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bgi s ARG 128 N -2.92 3.06 0.00 0.00 3.00 -1.26 -5.13 118.95 115.70 1bgi s ARG 128 Ca 0.39 -1.04 0.00 0.00 0.00 0.00 0.00 55.73 55.08 1bgi s ARG 128 Cb -0.12 -4.08 0.00 0.00 0.00 0.00 0.00 34.95 30.75 1bgi s ARG 128 CO 0.27 -1.06 0.37 1.28 0.00 0.00 0.00 175.30 176.16