#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g8s s PRO 8 N 0.00 3.37 -0.03 0.00 0.04 -1.26 -4.79 135.00 132.32 3g8s s PRO 8 Ca 0.00 0.98 -0.18 0.00 0.04 0.00 0.00 61.00 61.84 3g8s s PRO 8 Cb 0.00 -2.05 0.03 0.00 0.04 0.00 0.00 34.50 32.53 3g8s s PRO 8 CO 0.00 -0.76 0.39 1.21 0.04 0.00 0.00 177.00 177.88 3g8s s ASN 9 N -3.46 -0.29 0.21 6.66 3.84 -1.26 -5.01 114.94 115.63 3g8s s ASN 9 Ca 0.59 0.26 -0.09 0.00 0.21 0.00 0.00 52.86 53.82 3g8s s ASN 9 Cb -0.13 0.39 0.17 0.00 -0.55 0.00 0.00 41.25 41.13 3g8s s ASN 9 CO 0.45 -0.46 1.86 0.45 -2.79 0.00 0.00 177.10 176.62 3g8s h HIS 10 N 3.82 1.04 -3.19 0.43 3.86 -1.92 -3.43 115.15 115.77 3g8s h HIS 10 Ca -0.29 0.00 -0.58 0.00 -1.16 0.00 0.00 60.37 58.34 3g8s h HIS 10 Cb 1.17 -0.34 -0.05 0.00 1.06 0.00 0.00 27.41 29.25 3g8s h HIS 10 CO 0.49 0.69 -0.09 0.99 0.86 0.00 0.00 177.93 180.87 3g8s s THR 11 N -5.99 4.89 -0.06 2.45 2.01 -1.26 -2.45 115.64 115.22 3g8s s THR 11 Ca -0.13 1.09 0.01 0.00 0.31 0.00 0.00 61.69 62.97 3g8s s THR 11 Cb 0.15 -3.84 -0.03 0.00 0.01 0.00 0.00 72.50 68.79 3g8s s THR 11 CO 0.80 0.52 -0.07 0.27 -0.69 0.00 0.00 174.62 175.45 3g8s s ILE 12 N -0.80 3.69 -0.33 1.82 -4.36 -0.72 -1.81 121.20 118.68 3g8s s ILE 12 Ca 0.27 -0.51 -0.15 0.00 -0.26 0.00 0.00 60.65 60.01 3g8s s ILE 12 Cb -0.18 -2.52 -0.01 0.00 1.25 0.00 0.00 42.46 41.00 3g8s s ILE 12 CO 0.16 0.58 0.36 -0.47 0.24 0.00 0.00 174.94 175.82 3g8s s TYR 13 N -0.83 3.21 -0.12 1.37 5.04 -0.22 -2.92 117.35 122.89 3g8s s TYR 13 Ca 0.13 0.02 -0.01 0.00 -2.44 0.00 0.00 57.07 54.77 3g8s s TYR 13 Cb -0.11 -2.66 -0.02 0.00 0.35 0.00 0.00 41.96 39.52 3g8s s TYR 13 CO 0.02 -0.41 -0.09 0.42 -1.34 0.00 0.00 175.55 174.15 3g8s s ILE 14 N 2.02 3.48 0.00 3.14 1.01 -0.85 -0.67 121.20 129.34 3g8s s ILE 14 Ca 0.12 -0.52 0.00 0.00 0.00 0.00 0.00 60.65 60.25 3g8s s ILE 14 Cb -0.16 -2.47 0.00 0.00 0.01 0.00 0.00 42.46 39.83 3g8s s ILE 14 CO 0.12 0.53 0.00 -0.46 0.00 0.00 0.00 174.94 175.12 3g8s n ASN 15 N 3.24 0.65 -1.55 3.58 6.94 -0.15 -0.33 115.26 127.64 3g8s n ASN 15 Ca -0.18 -0.94 -0.17 0.00 -0.02 0.00 0.00 54.58 53.27 3g8s n ASN 15 Cb 0.53 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 37.90 3g8s n ASN 15 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 3g8s n ASN 16 N -2.22 -5.05 -4.81 0.53 5.15 -1.12 -2.41 115.26 105.34 3g8s n ASN 16 Ca 0.00 0.26 -0.34 0.00 -0.60 0.00 0.00 54.58 53.90 3g8s n ASN 16 Cb 0.00 -4.08 -0.06 0.00 -0.53 0.00 0.00 39.78 35.11 3g8s n ASN 16 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3g8s s LEU 17 N -4.27 3.95 -0.11 1.20 1.43 -1.04 -4.67 118.68 115.16 3g8s s LEU 17 Ca 0.00 1.76 -0.29 0.00 -1.03 0.00 0.00 54.13 54.57 3g8s s LEU 17 Cb 0.00 -4.50 -0.06 0.00 0.03 0.00 0.00 46.19 41.66 3g8s s LEU 17 CO 0.00 -0.44 1.91 0.21 0.23 0.00 0.00 176.35 178.26 3g8s s ASN 18 N -2.08 6.17 0.37 2.29 3.84 -1.26 -4.47 114.94 119.80 3g8s s ASN 18 Ca 0.62 2.12 0.27 0.00 0.21 0.00 0.00 52.86 56.08 3g8s s ASN 18 Cb -0.12 -2.53 0.87 0.00 -0.55 0.00 0.00 41.25 38.93 3g8s s ASN 18 CO 0.16 -1.35 1.77 -0.33 -2.79 0.00 0.00 177.10 174.56 3g8s h GLU 19 N 11.79 0.00 0.00 0.43 5.08 -1.95 -3.19 114.58 126.73 3g8s h GLU 19 Ca -0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 3g8s h GLU 19 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 3g8s h GLU 19 CO 0.96 0.00 0.00 0.87 -1.00 0.00 0.00 179.01 179.84 3g8s h LYS 20 N 0.00 0.00 -6.16 2.33 6.56 -2.00 -3.45 116.57 113.85 3g8s h LYS 20 Ca 0.00 0.00 -0.55 0.00 -1.06 0.00 0.00 60.65 59.04 3g8s h LYS 20 Cb 0.67 0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 32.28 3g8s h LYS 20 CO 0.00 0.00 0.11 0.42 -2.06 0.00 0.00 179.45 177.92 3g8s s ILE 21 N -3.47 4.90 0.77 1.86 1.09 -1.21 -5.04 121.20 120.10 3g8s s ILE 21 Ca 0.04 1.51 -0.12 0.00 -1.10 0.00 0.00 60.65 60.97 3g8s s ILE 21 Cb 0.08 -4.06 0.06 0.00 -1.06 0.00 0.00 42.46 37.48 3g8s s ILE 21 CO 0.57 0.32 1.13 -1.59 -0.10 0.00 0.00 174.94 175.26 3g8s s LYS 22 N 0.31 2.07 0.08 2.79 -2.85 -1.26 -4.79 119.74 116.10 3g8s s LYS 22 Ca 0.37 1.41 -0.24 0.00 -1.00 0.00 0.00 55.97 56.52 3g8s s LYS 22 Cb -0.19 -1.86 -0.09 0.00 -2.06 0.00 0.00 37.83 33.63 3g8s s LYS 22 CO 0.20 -1.82 1.39 -0.22 0.10 0.00 0.00 175.35 175.00 3g8s h LYS 23 N -0.90 -0.37 -0.19 1.78 3.11 -1.96 -1.57 116.57 116.47 3g8s h LYS 23 Ca -0.45 0.03 -0.13 0.00 -2.81 0.00 0.00 60.65 57.29 3g8s h LYS 23 Cb 1.25 0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 32.56 3g8s h LYS 23 CO 0.49 -0.25 -0.43 0.22 -2.81 0.00 0.00 179.45 176.68 3g8s h ASP 24 N -0.38 0.50 -0.57 4.20 -0.00 -1.95 0.15 116.42 118.37 3g8s h ASP 24 Ca 0.03 -0.23 -0.03 0.00 -0.00 0.00 0.00 57.03 56.80 3g8s h ASP 24 Cb 0.47 -0.14 -0.02 0.00 -0.00 0.00 0.00 39.33 39.63 3g8s h ASP 24 CO -0.33 0.87 0.22 -0.08 -0.00 0.00 0.00 179.24 179.92 3g8s h GLU 25 N 0.38 0.86 -0.46 0.28 4.81 -1.91 0.18 114.58 118.71 3g8s h GLU 25 Ca 0.03 -0.16 -0.07 0.00 -0.13 0.00 0.00 59.36 59.03 3g8s h GLU 25 Cb 0.91 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 30.14 3g8s h GLU 25 CO 0.08 0.74 0.01 1.25 -0.73 0.00 0.00 179.01 180.36 3g8s h LEU 26 N 0.79 0.79 -0.75 1.64 5.85 -1.06 -1.74 115.31 120.83 3g8s h LEU 26 Ca 0.19 -0.30 0.01 0.00 0.84 0.00 0.00 57.88 58.62 3g8s h LEU 26 Cb 0.21 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 3g8s h LEU 26 CO -0.01 0.89 0.49 0.50 -0.34 0.00 0.00 178.44 179.97 3g8s h LYS 27 N 0.66 0.98 0.00 1.25 3.64 -0.67 -2.03 116.57 120.39 3g8s h LYS 27 Ca 0.13 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 3g8s h LYS 27 Cb 0.48 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 32.08 3g8s h LYS 27 CO 0.02 0.65 -0.29 0.87 -2.27 0.00 0.00 179.45 178.43 3g8s h LYS 28 N 1.01 0.00 0.00 1.90 1.57 -0.92 -3.03 116.57 117.09 3g8s h LYS 28 Ca 0.28 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.89 3g8s h LYS 28 Cb -0.11 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.18 3g8s h LYS 28 CO -0.06 0.03 -0.95 0.77 -0.57 0.00 0.00 179.45 178.66 3g8s h SER 29 N 0.00 0.00 0.36 0.86 0.02 -1.10 -3.05 113.55 110.64 3g8s h SER 29 Ca -0.00 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.75 3g8s h SER 29 Cb 1.03 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.56 3g8s h SER 29 CO 0.00 0.70 -0.82 -0.07 -1.14 0.00 0.00 176.83 175.50 3g8s h LEU 30 N 0.00 0.44 -1.83 5.07 3.38 -1.43 -3.05 115.31 117.89 3g8s h LEU 30 Ca -0.07 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.58 3g8s h LEU 30 Cb 1.59 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.21 3g8s h LEU 30 CO 0.08 1.09 0.00 -0.74 0.09 0.00 0.00 178.44 178.96 3g8s h HIS 31 N 0.22 0.00 0.00 1.13 2.76 -1.57 -1.63 115.15 116.06 3g8s h HIS 31 Ca -0.05 0.00 -0.14 0.00 -2.20 0.00 0.00 60.37 57.98 3g8s h HIS 31 Cb 1.43 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.37 3g8s h HIS 31 CO 0.04 0.00 -0.66 0.00 -1.30 0.00 0.00 177.93 176.01 3g8s h ALA 32 N 2.01 0.87 0.00 5.26 0.00 -1.42 -3.19 119.26 122.80 3g8s h ALA 32 Ca 0.00 -0.60 -0.44 0.00 0.00 0.00 0.00 54.91 53.86 3g8s h ALA 32 Cb 0.37 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.99 3g8s h ALA 32 CO 0.00 0.83 -2.52 -0.89 0.00 0.00 0.00 179.25 176.66 3g8s n ILE 33 N -3.70 1.52 1.24 0.00 5.41 -1.05 -4.55 119.36 118.23 3g8s n ILE 33 Ca -0.01 -0.44 0.11 0.00 1.00 0.00 0.00 62.75 63.42 3g8s n ILE 33 Cb 0.66 -1.75 0.62 0.00 -0.71 0.00 0.00 39.64 38.46 3g8s n ILE 33 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 3g8s n PHE 34 N -3.97 0.00 0.20 1.39 3.72 -0.64 -3.18 117.46 114.97 3g8s n PHE 34 Ca -0.52 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 56.93 3g8s n PHE 34 Cb 0.92 -0.16 0.42 0.00 -0.94 0.00 0.00 39.48 39.71 3g8s n PHE 34 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3g8s h SER 35 N 0.00 0.00 0.27 4.37 4.64 -1.77 -3.20 113.55 117.87 3g8s h SER 35 Ca 0.00 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.20 3g8s h SER 35 Cb 0.12 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.20 3g8s h SER 35 CO 0.00 0.33 -0.49 0.08 -0.87 0.00 0.00 176.83 175.89 3g8s h ARG 36 N 0.00 0.25 0.00 4.77 0.11 -1.86 -3.20 114.38 114.45 3g8s h ARG 36 Ca -0.00 -0.14 -0.11 0.00 0.10 0.00 0.00 59.98 59.83 3g8s h ARG 36 Cb 0.68 0.01 -0.02 0.00 1.11 0.00 0.00 29.97 31.75 3g8s h ARG 36 CO 0.04 0.68 -0.51 0.74 0.10 0.00 0.00 179.97 181.03 3g8s h PHE 37 N 0.20 0.00 0.00 4.08 0.04 -1.79 -3.48 116.94 115.99 3g8s h PHE 37 Ca 0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.78 3g8s h PHE 37 Cb 0.93 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.08 3g8s h PHE 37 CO 0.02 0.51 0.00 0.41 -0.60 0.00 0.00 178.31 178.65 3g8s n GLY 38 N 0.18 -1.01 3.72 -1.45 0.00 -1.21 -4.48 105.19 100.94 3g8s n GLY 38 Ca -0.01 -1.15 -0.42 0.00 0.00 0.00 0.00 46.02 44.44 3g8s n GLY 38 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3g8s s GLN 39 N -2.00 4.58 -0.04 1.61 -2.07 -1.26 -4.44 119.66 116.03 3g8s s GLN 39 Ca 0.00 1.54 -0.17 0.00 -1.82 0.00 0.00 55.36 54.90 3g8s s GLN 39 Cb 0.00 -3.39 -0.05 0.00 -1.09 0.00 0.00 33.01 28.48 3g8s s GLN 39 CO 0.00 -0.01 0.48 0.42 -1.32 0.00 0.00 175.29 174.86 3g8s s ILE 40 N 0.59 5.04 -0.11 3.63 1.01 -1.26 -3.19 121.20 126.90 3g8s s ILE 40 Ca 0.52 0.98 -0.16 0.00 0.00 0.00 0.00 60.65 61.99 3g8s s ILE 40 Cb -0.24 -3.80 -0.27 0.00 0.01 0.00 0.00 42.46 38.16 3g8s s ILE 40 CO 0.30 0.46 0.54 -0.07 0.00 0.00 0.00 174.94 176.16 3g8s h LEU 41 N 5.57 0.36 -7.00 2.97 3.38 -0.25 -3.49 115.31 116.86 3g8s h LEU 41 Ca -0.46 -0.85 0.05 0.00 0.09 0.00 0.00 57.88 56.71 3g8s h LEU 41 Cb 1.20 -0.12 -0.22 0.00 0.09 0.00 0.00 40.66 41.61 3g8s h LEU 41 CO 0.68 1.62 0.47 -0.62 0.09 0.00 0.00 178.44 180.68 3g8s s ASP 42 N -7.02 -0.43 -0.24 -0.43 -1.08 -1.23 -5.01 116.67 101.23 3g8s s ASP 42 Ca -0.20 0.48 -0.01 0.00 -0.52 0.00 0.00 52.55 52.30 3g8s s ASP 42 Cb 0.04 0.36 0.03 0.00 -1.46 0.00 0.00 42.92 41.90 3g8s s ASP 42 CO 0.76 -0.39 -0.08 -0.63 0.52 0.00 0.00 175.17 175.34 3g8s s ILE 43 N -1.10 2.72 -0.39 4.11 1.01 -1.26 -0.88 121.20 125.41 3g8s s ILE 43 Ca -0.04 -1.05 -0.13 0.00 0.00 0.00 0.00 60.65 59.43 3g8s s ILE 43 Cb -0.00 -2.37 0.03 0.00 0.01 0.00 0.00 42.46 40.13 3g8s s ILE 43 CO 0.03 0.23 0.26 -0.76 0.00 0.00 0.00 174.94 174.70 3g8s s LEU 44 N 1.30 4.93 -0.08 2.97 1.02 -0.72 -4.93 118.68 123.18 3g8s s LEU 44 Ca 0.00 -0.97 0.03 0.00 0.02 0.00 0.00 54.13 53.21 3g8s s LEU 44 Cb -0.16 -2.09 0.01 0.00 0.02 0.00 0.00 46.19 43.97 3g8s s LEU 44 CO -0.06 -0.42 -0.15 -0.69 0.02 0.00 0.00 176.35 175.05 3g8s s VAL 45 N 1.61 1.39 0.40 -1.59 1.01 -1.26 -2.41 120.40 119.55 3g8s s VAL 45 Ca 0.03 -0.62 0.07 0.00 0.00 0.00 0.00 61.98 61.46 3g8s s VAL 45 Cb -0.19 -1.25 -0.08 0.00 0.00 0.00 0.00 36.38 34.86 3g8s s VAL 45 CO 0.08 0.41 -0.01 -0.55 0.00 0.00 0.00 175.10 175.04 3g8s s SER 46 N 0.63 3.81 0.00 3.32 0.15 -1.26 -5.00 113.70 115.35 3g8s s SER 46 Ca -0.15 -1.34 0.00 0.00 0.70 0.00 0.00 55.95 55.16 3g8s s SER 46 Cb -0.16 -0.38 0.00 0.00 -1.71 0.00 0.00 66.02 63.77 3g8s s SER 46 CO 0.04 -0.42 0.82 -1.14 1.20 0.00 0.00 173.24 173.74 3g8s n ARG 47 N -0.93 1.82 -0.77 5.44 3.00 -1.26 -4.11 116.66 119.85 3g8s n ARG 47 Ca -0.05 -1.15 -0.30 0.00 -0.00 0.00 0.00 57.85 56.35 3g8s n ARG 47 Cb 0.66 -0.92 0.18 0.00 0.00 0.00 0.00 32.46 32.39 3g8s n ARG 47 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 3g8s s SER 48 N -0.67 2.54 0.31 6.15 1.04 -1.26 -4.54 113.70 117.27 3g8s s SER 48 Ca 0.00 1.87 0.06 0.00 0.48 0.00 0.00 55.95 58.36 3g8s s SER 48 Cb 0.00 -2.43 0.75 0.00 0.10 0.00 0.00 66.02 64.43 3g8s s SER 48 CO 0.00 -3.29 1.80 0.25 0.98 0.00 0.00 173.24 172.98 3g8s h LEU 49 N -2.00 0.77 0.00 2.42 5.85 -1.97 -0.53 115.31 119.85 3g8s h LEU 49 Ca -0.49 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.31 3g8s h LEU 49 Cb 1.29 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.26 3g8s h LEU 49 CO 0.47 0.30 -1.01 0.29 -0.34 0.00 0.00 178.44 178.15 3g8s n LYS 50 N -4.71 0.47 -0.04 1.25 4.01 -1.26 -4.38 118.16 113.50 3g8s n LYS 50 Ca 0.22 0.06 0.02 0.00 -0.51 0.00 0.00 58.31 58.10 3g8s n LYS 50 Cb 0.55 -1.72 0.04 0.00 -0.51 0.00 0.00 35.03 33.39 3g8s n LYS 50 CO 0.00 0.00 0.00 -1.33 -1.11 0.00 0.00 177.40 174.96 3g8s n MET 51 N -2.35 2.86 -2.98 1.97 2.81 -0.83 -5.03 117.12 113.57 3g8s n MET 51 Ca 0.01 -1.68 -0.35 0.00 -1.81 0.00 0.00 57.70 53.87 3g8s n MET 51 Cb 0.50 -1.09 -0.06 0.00 -0.71 0.00 0.00 33.22 31.86 3g8s n MET 51 CO 0.00 0.00 0.00 -0.98 1.51 0.00 0.00 175.97 176.50 3g8s s ARG 52 N -1.16 4.27 -1.08 0.03 1.70 -0.27 -3.58 118.95 118.86 3g8s s ARG 52 Ca 0.06 0.98 0.00 0.00 -0.47 0.00 0.00 55.73 56.30 3g8s s ARG 52 Cb 0.04 -2.62 0.00 0.00 -0.57 0.00 0.00 34.95 31.80 3g8s s ARG 52 CO 0.03 0.23 0.00 0.41 -1.08 0.00 0.00 175.30 174.89 3g8s n GLY 53 N 0.17 0.44 2.99 3.88 0.00 -1.26 -4.94 105.19 106.45 3g8s n GLY 53 Ca 0.02 -0.44 -0.17 0.00 0.00 0.00 0.00 46.02 45.43 3g8s n GLY 53 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3g8s s GLN 54 N -3.95 0.54 0.14 1.61 -0.21 -1.23 -2.51 119.66 114.05 3g8s s GLN 54 Ca 0.00 -0.27 0.06 0.00 0.02 0.00 0.00 55.36 55.17 3g8s s GLN 54 Cb 0.00 -0.51 -0.04 0.00 1.00 0.00 0.00 33.01 33.46 3g8s s GLN 54 CO 0.00 0.14 -0.13 0.00 -2.12 0.00 0.00 175.29 173.18 3g8s s ALA 55 N -0.22 1.55 -0.36 6.09 0.00 0.55 -4.41 121.76 124.96 3g8s s ALA 55 Ca 0.02 -1.38 -0.00 0.00 0.00 0.00 0.00 51.96 50.60 3g8s s ALA 55 Cb -0.03 -0.05 0.12 0.00 0.00 0.00 0.00 23.12 23.16 3g8s s ALA 55 CO -0.00 0.05 0.18 -0.06 0.00 0.00 0.00 175.76 175.93 3g8s s PHE 56 N -2.50 1.34 -0.22 0.00 0.40 -1.01 -2.00 117.98 113.99 3g8s s PHE 56 Ca 0.12 -1.81 -0.23 0.00 -0.60 0.00 0.00 56.93 54.41 3g8s s PHE 56 Cb -0.03 -1.44 -0.01 0.00 0.51 0.00 0.00 43.02 42.04 3g8s s PHE 56 CO 0.03 -0.83 0.75 0.08 0.70 0.00 0.00 175.22 175.95 3g8s s VAL 57 N 1.13 4.91 -0.42 -0.44 1.01 -1.15 -1.75 120.40 123.68 3g8s s VAL 57 Ca 0.14 1.42 -0.14 0.00 0.00 0.00 0.00 61.98 63.41 3g8s s VAL 57 Cb -0.21 -4.05 0.04 0.00 0.00 0.00 0.00 36.38 32.16 3g8s s VAL 57 CO -0.11 0.00 0.31 -0.63 0.00 0.00 0.00 175.10 174.67 3g8s s ILE 58 N 2.46 5.13 0.41 2.22 1.01 -0.06 -1.75 121.20 130.61 3g8s s ILE 58 Ca 0.33 -0.83 -0.03 0.00 0.00 0.00 0.00 60.65 60.11 3g8s s ILE 58 Cb -0.16 -3.93 -0.04 0.00 0.01 0.00 0.00 42.46 38.35 3g8s s ILE 58 CO 0.09 -0.39 0.67 -0.36 0.00 0.00 0.00 174.94 174.96 3g8s s PHE 59 N 1.64 3.53 -0.05 3.97 0.08 -1.03 0.52 117.98 126.64 3g8s s PHE 59 Ca 0.04 0.64 0.13 0.00 0.12 0.00 0.00 56.93 57.86 3g8s s PHE 59 Cb -0.21 -2.14 -0.15 0.00 -0.57 0.00 0.00 43.02 39.95 3g8s s PHE 59 CO 0.08 -0.07 0.96 -0.22 -0.10 0.00 0.00 175.22 175.87 3g8s h LYS 60 N 0.63 0.00 -5.52 0.44 3.64 -1.85 -3.43 116.57 110.48 3g8s h LYS 60 Ca -0.48 0.00 -0.68 0.00 -1.27 0.00 0.00 60.65 58.22 3g8s h LYS 60 Cb 1.21 0.00 -0.32 0.00 -0.41 0.00 0.00 32.23 32.71 3g8s h LYS 60 CO 0.62 0.53 -0.86 -1.21 -2.27 0.00 0.00 179.45 176.26 3g8s s GLU 61 N -2.78 2.97 0.33 1.90 0.41 -1.26 -5.00 118.70 115.27 3g8s s GLU 61 Ca -0.02 -0.86 0.01 0.00 -0.41 0.00 0.00 54.97 53.70 3g8s s GLU 61 Cb 0.09 -2.31 0.58 0.00 -1.78 0.00 0.00 34.13 30.70 3g8s s GLU 61 CO 0.81 0.24 1.97 0.28 -0.49 0.00 0.00 175.26 178.07 3g8s h VAL 62 N 5.49 1.18 -1.04 2.63 2.07 -1.88 -1.78 116.25 122.90 3g8s h VAL 62 Ca -0.23 -0.42 0.28 0.00 0.82 0.00 0.00 66.70 67.15 3g8s h VAL 62 Cb 1.22 0.33 -0.11 0.00 -1.52 0.00 0.00 31.29 31.20 3g8s h VAL 62 CO 0.48 0.19 0.64 -1.28 0.02 0.00 0.00 177.57 177.63 3g8s h SER 63 N 0.85 0.53 0.01 0.57 0.87 -1.94 -0.32 113.55 114.10 3g8s h SER 63 Ca 0.22 0.12 -0.20 0.00 -1.23 0.00 0.00 61.79 60.70 3g8s h SER 63 Cb -0.01 0.04 0.02 0.00 -0.44 0.00 0.00 62.40 62.01 3g8s h SER 63 CO -0.04 0.05 -0.77 0.28 -0.53 0.00 0.00 176.83 175.81 3g8s h SER 64 N 0.44 0.67 0.21 6.23 0.02 -1.55 -3.18 113.55 116.39 3g8s h SER 64 Ca 0.65 -0.76 -0.03 0.00 -0.84 0.00 0.00 61.79 60.80 3g8s h SER 64 Cb 1.50 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 63.83 3g8s h SER 64 CO -0.41 1.34 -0.16 0.00 -1.14 0.00 0.00 176.83 176.47 3g8s h ALA 65 N 0.34 1.59 -0.08 3.77 0.00 -0.87 -0.07 119.26 123.94 3g8s h ALA 65 Ca -0.10 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.58 3g8s h ALA 65 Cb 1.47 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.24 3g8s h ALA 65 CO 0.15 0.20 -0.29 1.15 0.00 0.00 0.00 179.25 180.46 3g8s h THR 66 N 0.00 1.42 -0.47 0.00 2.02 -1.25 -1.98 112.91 112.64 3g8s h THR 66 Ca -0.00 -1.67 -0.07 0.00 0.77 0.00 0.00 66.41 65.44 3g8s h THR 66 Cb 0.31 2.27 -0.02 0.00 -1.74 0.00 0.00 68.15 68.97 3g8s h THR 66 CO 0.02 0.48 0.02 0.78 0.37 0.00 0.00 175.52 177.20 3g8s h ASN 67 N -0.14 0.72 -0.52 4.18 2.35 -1.43 0.10 115.58 120.85 3g8s h ASN 67 Ca -0.01 -0.16 -0.06 0.00 -0.55 0.00 0.00 56.30 55.52 3g8s h ASN 67 Cb 0.93 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 39.09 3g8s h ASN 67 CO 0.06 0.78 0.09 0.00 -1.65 0.00 0.00 177.43 176.71 3g8s h ALA 68 N 1.31 0.69 -0.46 -0.83 0.00 -1.07 -1.49 119.26 117.40 3g8s h ALA 68 Ca 0.15 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 3g8s h ALA 68 Cb 0.41 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3g8s h ALA 68 CO 0.01 0.42 0.07 1.25 0.00 0.00 0.00 179.25 181.00 3g8s h LEU 69 N 0.73 0.73 -0.41 0.00 6.46 -0.89 -1.73 115.31 120.22 3g8s h LEU 69 Ca 0.16 -0.26 -0.04 0.00 -0.12 0.00 0.00 57.88 57.61 3g8s h LEU 69 Cb 0.39 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 40.11 3g8s h LEU 69 CO 0.01 0.81 0.10 0.03 -0.62 0.00 0.00 178.44 178.77 3g8s h ARG 70 N 0.63 0.65 0.15 1.25 3.08 -0.71 -3.19 114.38 116.24 3g8s h ARG 70 Ca 0.14 -0.16 -0.30 0.00 0.07 0.00 0.00 59.98 59.73 3g8s h ARG 70 Cb 0.39 -0.08 0.01 0.00 0.08 0.00 0.00 29.97 30.36 3g8s h ARG 70 CO 0.01 0.67 -1.49 0.77 -1.07 0.00 0.00 179.97 178.87 3g8s h SER 71 N 0.52 0.49 -0.08 7.04 0.02 -1.28 -3.37 113.55 116.89 3g8s h SER 71 Ca 0.13 -0.90 0.00 0.00 -0.84 0.00 0.00 61.79 60.18 3g8s h SER 71 Cb 0.32 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.70 3g8s h SER 71 CO 0.00 1.67 0.00 0.23 -1.14 0.00 0.00 176.83 177.59 3g8s n MET 72 N -3.82 1.67 -1.92 3.45 2.81 -0.65 -4.80 117.12 113.87 3g8s n MET 72 Ca -0.24 -1.00 -0.42 0.00 -1.81 0.00 0.00 57.70 54.24 3g8s n MET 72 Cb 0.96 -1.44 -0.03 0.00 -0.71 0.00 0.00 33.22 32.00 3g8s n MET 72 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 3g8s s GLN 73 N -1.91 4.20 0.00 0.03 2.00 -1.21 -2.55 119.66 120.22 3g8s s GLN 73 Ca 0.36 2.35 0.00 0.00 -2.00 0.00 0.00 55.36 56.07 3g8s s GLN 73 Cb 0.19 -3.50 0.00 0.00 0.80 0.00 0.00 33.01 30.51 3g8s s GLN 73 CO 0.30 -0.71 0.00 0.41 -0.50 0.00 0.00 175.29 174.79 3g8s n GLY 74 N 3.96 0.85 3.67 2.59 0.00 -0.42 -4.95 105.19 110.88 3g8s n GLY 74 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3g8s n GLY 74 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3g8s s PHE 75 N -3.44 2.44 -0.37 1.61 2.19 -1.06 -4.29 117.98 115.06 3g8s s PHE 75 Ca 0.00 0.58 -0.28 0.00 0.33 0.00 0.00 56.93 57.56 3g8s s PHE 75 Cb 0.00 -3.73 -0.03 0.00 -1.31 0.00 0.00 43.02 37.94 3g8s s PHE 75 CO 0.00 -2.89 1.98 -2.14 1.83 0.00 0.00 175.22 174.01 3g8s s PRO 76 N 3.50 3.00 -0.25 10.12 0.02 -1.26 -0.95 135.00 149.18 3g8s s PRO 76 Ca 0.66 1.42 0.01 0.00 0.02 0.00 0.00 61.00 63.11 3g8s s PRO 76 Cb -0.29 -4.32 0.06 0.00 0.02 0.00 0.00 34.50 29.97 3g8s s PRO 76 CO 0.24 -2.25 -0.05 0.12 -0.33 0.00 0.00 177.00 174.72 3g8s s PHE 77 N 8.29 2.65 -1.01 6.54 5.36 0.86 -4.67 117.98 136.01 3g8s s PHE 77 Ca 0.85 -1.96 -0.01 0.00 -0.96 0.00 0.00 56.93 54.85 3g8s s PHE 77 Cb -0.22 -1.74 -0.01 0.00 -0.34 0.00 0.00 43.02 40.70 3g8s s PHE 77 CO 0.31 -0.81 0.85 0.66 -1.46 0.00 0.00 175.22 174.77 3g8s n TYR 78 N 4.60 -1.95 -0.79 10.12 4.01 -1.26 -3.18 117.16 128.71 3g8s n TYR 78 Ca -0.11 0.80 0.00 0.00 -0.16 0.00 0.00 57.90 58.43 3g8s n TYR 78 Cb 0.43 -4.53 0.00 0.00 -0.31 0.00 0.00 39.34 34.94 3g8s n TYR 78 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3g8s n ASP 79 N -2.88 -0.85 -3.92 7.72 9.92 -1.26 -4.72 116.55 120.56 3g8s n ASP 79 Ca -0.21 0.00 -0.23 0.00 -0.53 0.00 0.00 54.79 53.82 3g8s n ASP 79 Cb 0.64 -1.45 -0.17 0.00 -0.64 0.00 0.00 41.12 39.50 3g8s n ASP 79 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 3g8s s LYS 80 N -0.62 1.16 0.42 -1.24 1.02 -1.19 -5.06 119.74 114.23 3g8s s LYS 80 Ca 0.00 -0.19 -0.26 0.00 0.02 0.00 0.00 55.97 55.54 3g8s s LYS 80 Cb 0.00 -1.13 -0.09 0.00 -0.52 0.00 0.00 37.83 36.09 3g8s s LYS 80 CO 0.00 -0.10 1.41 -1.25 -0.92 0.00 0.00 175.35 174.49 3g8s s PRO 81 N 1.09 3.87 0.33 -1.68 0.04 -1.26 -0.10 135.00 137.29 3g8s s PRO 81 Ca -0.08 2.39 -0.17 0.00 0.04 0.00 0.00 61.00 63.18 3g8s s PRO 81 Cb -0.14 -2.76 -0.09 0.00 0.04 0.00 0.00 34.50 31.54 3g8s s PRO 81 CO -0.01 -0.66 0.79 -1.64 0.04 0.00 0.00 177.00 175.52 3g8s s MET 82 N -2.30 4.12 -0.24 4.56 -1.94 -0.13 -4.77 119.30 118.60 3g8s s MET 82 Ca 0.58 0.83 0.02 0.00 -1.71 0.00 0.00 55.69 55.40 3g8s s MET 82 Cb -0.43 -2.46 0.06 0.00 2.01 0.00 0.00 34.83 34.01 3g8s s MET 82 CO 0.56 0.16 -0.08 0.50 -0.01 0.00 0.00 175.02 176.15 3g8s s ARG 83 N -2.83 1.89 -0.11 2.03 3.52 -1.01 -1.30 118.95 121.15 3g8s s ARG 83 Ca 0.54 -1.13 0.01 0.00 -0.13 0.00 0.00 55.73 55.01 3g8s s ARG 83 Cb -0.11 -2.71 -0.02 0.00 -1.56 0.00 0.00 34.95 30.55 3g8s s ARG 83 CO 0.17 -0.58 -0.12 0.42 -0.81 0.00 0.00 175.30 174.38 3g8s s ILE 84 N 1.27 3.20 0.43 4.11 1.01 -1.26 -0.97 121.20 129.00 3g8s s ILE 84 Ca -0.07 -0.63 0.04 0.00 0.00 0.00 0.00 60.65 59.99 3g8s s ILE 84 Cb -0.19 -2.32 -0.02 0.00 0.01 0.00 0.00 42.46 39.94 3g8s s ILE 84 CO -0.06 0.55 0.14 -1.10 0.00 0.00 0.00 174.94 174.47 3g8s s GLN 85 N -0.04 2.02 0.40 2.79 -0.21 0.16 -5.00 119.66 119.77 3g8s s GLN 85 Ca -0.02 -2.25 -0.09 0.00 0.02 0.00 0.00 55.36 53.01 3g8s s GLN 85 Cb -0.14 -0.60 -0.06 0.00 1.00 0.00 0.00 33.01 33.21 3g8s s GLN 85 CO 0.04 -0.54 0.74 0.71 -2.12 0.00 0.00 175.29 174.12 3g8s s TYR 86 N -3.15 3.48 0.30 0.91 2.02 -1.26 -1.05 117.35 118.59 3g8s s TYR 86 Ca 0.21 0.98 -0.29 0.00 -0.37 0.00 0.00 57.07 57.59 3g8s s TYR 86 Cb 0.01 -2.39 -0.10 0.00 -0.40 0.00 0.00 41.96 39.08 3g8s s TYR 86 CO 0.14 -0.09 1.24 0.00 -1.57 0.00 0.00 175.55 175.27 3g8s s ALA 87 N -2.36 3.47 0.28 3.71 0.00 -0.75 -4.43 121.76 121.67 3g8s s ALA 87 Ca 0.50 1.12 -0.02 0.00 0.00 0.00 0.00 51.96 53.56 3g8s s ALA 87 Cb -0.10 -3.43 0.42 0.00 0.00 0.00 0.00 23.12 20.01 3g8s s ALA 87 CO 0.32 -0.46 1.91 0.87 0.00 0.00 0.00 175.76 178.39 3g8s h LYS 88 N 3.74 1.14 -4.99 0.00 6.56 -1.94 -3.44 116.57 117.63 3g8s h LYS 88 Ca -0.48 -0.07 -0.35 0.00 -1.06 0.00 0.00 60.65 58.70 3g8s h LYS 88 Cb 1.22 -0.26 -0.14 0.00 -0.57 0.00 0.00 32.23 32.48 3g8s h LYS 88 CO 0.67 0.75 -0.66 0.95 -2.06 0.00 0.00 179.45 179.10 3g8s s THR 89 N -6.01 0.92 0.53 -0.16 -4.23 -1.26 -4.99 115.64 100.45 3g8s s THR 89 Ca -0.12 -2.02 -0.19 0.00 -1.18 0.00 0.00 61.69 58.17 3g8s s THR 89 Cb 0.19 -2.24 -0.06 0.00 1.34 0.00 0.00 72.50 71.73 3g8s s THR 89 CO 0.81 -0.40 1.11 -1.81 -0.54 0.00 0.00 174.62 173.78 3g8s s ASP 90 N -3.25 5.86 0.65 3.99 1.01 -1.26 -4.93 116.67 118.74 3g8s s ASP 90 Ca 0.26 2.11 -0.10 0.00 0.71 0.00 0.00 52.55 55.52 3g8s s ASP 90 Cb 0.06 -2.57 -0.01 0.00 1.01 0.00 0.00 42.92 41.40 3g8s s ASP 90 CO 0.07 -1.12 1.03 -0.44 0.21 0.00 0.00 175.17 174.92 3g8s s SER 91 N -1.86 5.84 0.21 0.27 0.01 -1.26 -4.82 113.70 112.09 3g8s s SER 91 Ca 0.71 1.20 -0.09 0.00 1.31 0.00 0.00 55.95 59.09 3g8s s SER 91 Cb -0.22 -2.15 0.25 0.00 0.21 0.00 0.00 66.02 64.11 3g8s s SER 91 CO 0.26 -1.07 1.81 0.44 0.41 0.00 0.00 173.24 175.09 3g8s h ASP 92 N -0.42 0.58 0.32 2.44 5.19 -1.98 0.20 116.42 122.76 3g8s h ASP 92 Ca -0.45 0.03 -0.06 0.00 -0.62 0.00 0.00 57.03 55.93 3g8s h ASP 92 Cb 1.22 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 40.64 3g8s h ASP 92 CO 0.63 0.38 -0.31 -0.29 -3.12 0.00 0.00 179.24 176.52 3g8s h ILE 93 N 0.72 1.21 0.00 0.35 2.10 -1.94 -1.18 117.51 118.76 3g8s h ILE 93 Ca 0.31 -1.07 -0.03 0.00 1.08 0.00 0.00 64.86 65.16 3g8s h ILE 93 Cb 0.18 1.58 -0.00 0.00 -1.09 0.00 0.00 36.82 37.48 3g8s h ILE 93 CO -0.18 0.30 -0.14 0.40 -1.08 0.00 0.00 178.15 177.45 3g8s h ILE 94 N 0.00 1.56 -0.91 2.19 1.08 -1.78 -3.37 117.51 116.29 3g8s h ILE 94 Ca -0.00 -2.23 0.01 0.00 -0.39 0.00 0.00 64.86 62.25 3g8s h ILE 94 Cb 0.55 3.00 -0.05 0.00 -3.07 0.00 0.00 36.82 37.26 3g8s h ILE 94 CO 0.04 0.53 0.60 0.00 -0.69 0.00 0.00 178.15 178.63 3g8s h ALA 95 N -0.13 1.15 -0.02 1.87 0.00 -0.58 -3.49 119.26 118.06 3g8s h ALA 95 Ca -0.04 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3g8s h ALA 95 Cb 0.96 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3g8s h ALA 95 CO -0.02 0.55 0.00 0.36 0.00 0.00 0.00 179.25 180.14