#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g8t s PRO 8 N 0.00 3.33 0.04 0.00 0.02 -1.26 -4.82 135.00 132.31 3g8t s PRO 8 Ca 0.00 1.57 -0.03 0.00 0.02 0.00 0.00 61.00 62.56 3g8t s PRO 8 Cb 0.00 -2.01 -0.02 0.00 0.02 0.00 0.00 34.50 32.49 3g8t s PRO 8 CO 0.00 -0.86 0.04 1.21 -0.33 0.00 0.00 177.00 177.06 3g8t s ASN 9 N -1.87 0.27 0.53 2.53 3.84 -1.26 -5.03 114.94 113.96 3g8t s ASN 9 Ca 0.72 -0.65 0.19 0.00 0.21 0.00 0.00 52.86 53.33 3g8t s ASN 9 Cb -0.23 0.20 1.38 0.00 -0.55 0.00 0.00 41.25 42.05 3g8t s ASN 9 CO 0.28 -0.49 2.16 0.45 -2.79 0.00 0.00 177.10 176.70 3g8t h HIS 10 N 3.71 0.00 -3.34 0.43 3.86 -1.90 -3.43 115.15 114.49 3g8t h HIS 10 Ca -0.33 0.00 -0.66 0.00 -1.16 0.00 0.00 60.37 58.22 3g8t h HIS 10 Cb 1.18 0.00 -0.17 0.00 1.06 0.00 0.00 27.41 29.48 3g8t h HIS 10 CO 0.56 0.02 -0.63 0.99 0.86 0.00 0.00 177.93 179.73 3g8t s THR 11 N -4.89 4.21 -0.08 2.45 2.01 -1.26 -1.51 115.64 116.57 3g8t s THR 11 Ca -0.05 -0.27 -0.01 0.00 0.31 0.00 0.00 61.69 61.67 3g8t s THR 11 Cb 0.16 -2.80 -0.03 0.00 0.01 0.00 0.00 72.50 69.84 3g8t s THR 11 CO 0.64 0.55 -0.02 0.27 -0.69 0.00 0.00 174.62 175.38 3g8t s ILE 12 N -0.35 4.15 -0.34 1.82 -4.36 -0.60 -0.70 121.20 120.83 3g8t s ILE 12 Ca 0.07 -0.31 -0.13 0.00 -0.26 0.00 0.00 60.65 60.02 3g8t s ILE 12 Cb -0.12 -2.74 -0.01 0.00 1.25 0.00 0.00 42.46 40.84 3g8t s ILE 12 CO 0.02 0.60 0.23 -0.47 0.24 0.00 0.00 174.94 175.57 3g8t s TYR 13 N -0.87 3.22 -0.16 1.37 5.04 -0.02 -2.39 117.35 123.55 3g8t s TYR 13 Ca 0.13 -0.32 -0.04 0.00 -2.44 0.00 0.00 57.07 54.41 3g8t s TYR 13 Cb -0.11 -2.47 -0.03 0.00 0.35 0.00 0.00 41.96 39.70 3g8t s TYR 13 CO 0.02 -0.40 -0.04 0.42 -1.34 0.00 0.00 175.55 174.21 3g8t s ILE 14 N 1.70 3.89 0.12 3.14 1.01 -0.80 -0.70 121.20 129.55 3g8t s ILE 14 Ca 0.06 -0.36 0.01 0.00 0.00 0.00 0.00 60.65 60.36 3g8t s ILE 14 Cb -0.18 -2.71 -0.00 0.00 0.01 0.00 0.00 42.46 39.58 3g8t s ILE 14 CO 0.10 0.49 0.03 -0.46 0.00 0.00 0.00 174.94 175.10 3g8t n ASN 15 N 3.58 1.34 -2.15 3.58 6.94 -0.20 -1.12 115.26 127.23 3g8t n ASN 15 Ca -0.17 -1.60 -0.21 0.00 -0.02 0.00 0.00 54.58 52.57 3g8t n ASN 15 Cb 0.52 0.24 -0.03 0.00 -2.36 0.00 0.00 39.78 38.15 3g8t n ASN 15 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 3g8t n ASN 16 N -1.71 -5.80 -4.82 0.53 5.15 -1.14 -2.66 115.26 104.80 3g8t n ASN 16 Ca -0.03 0.14 -0.33 0.00 -0.60 0.00 0.00 54.58 53.77 3g8t n ASN 16 Cb 0.17 -4.91 -0.06 0.00 -0.53 0.00 0.00 39.78 34.46 3g8t n ASN 16 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3g8t s LEU 17 N -5.63 3.86 -0.03 1.20 1.43 -0.89 -4.62 118.68 114.00 3g8t s LEU 17 Ca 0.00 1.70 -0.30 0.00 -1.03 0.00 0.00 54.13 54.50 3g8t s LEU 17 Cb 0.00 -4.54 -0.06 0.00 0.03 0.00 0.00 46.19 41.62 3g8t s LEU 17 CO 0.00 -0.47 1.61 0.21 0.23 0.00 0.00 176.35 177.93 3g8t s ASN 18 N -2.35 6.69 0.36 2.29 3.84 -1.26 -4.52 114.94 119.99 3g8t s ASN 18 Ca 0.62 2.26 0.25 0.00 0.21 0.00 0.00 52.86 56.20 3g8t s ASN 18 Cb -0.10 -2.54 0.65 0.00 -0.55 0.00 0.00 41.25 38.71 3g8t s ASN 18 CO 0.18 -0.89 1.71 -0.33 -2.79 0.00 0.00 177.10 174.99 3g8t h GLU 19 N 9.04 0.00 0.00 0.43 5.08 -1.95 -3.27 114.58 123.92 3g8t h GLU 19 Ca -0.39 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 3g8t h GLU 19 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 3g8t h GLU 19 CO 0.94 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 180.58 3g8t n LYS 20 N -2.76 0.12 -3.55 2.33 4.01 -1.26 -4.80 118.16 112.24 3g8t n LYS 20 Ca 0.04 0.17 -0.37 0.00 -0.51 0.00 0.00 58.31 57.64 3g8t n LYS 20 Cb 0.45 -1.50 -0.07 0.00 -0.51 0.00 0.00 35.03 33.41 3g8t n LYS 20 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 3g8t s ILE 21 N -2.79 5.25 0.64 -0.18 1.09 -1.23 -5.05 121.20 118.92 3g8t s ILE 21 Ca 0.12 0.61 -0.17 0.00 -1.10 0.00 0.00 60.65 60.11 3g8t s ILE 21 Cb 0.11 -3.64 -0.04 0.00 -1.06 0.00 0.00 42.46 37.83 3g8t s ILE 21 CO 0.29 0.46 0.85 0.29 -0.10 0.00 0.00 174.94 176.73 3g8t n LYS 22 N 2.94 0.68 -0.29 2.79 5.02 -1.26 -4.76 118.16 123.28 3g8t n LYS 22 Ca -0.13 0.28 -0.01 0.00 -2.02 0.00 0.00 58.31 56.42 3g8t n LYS 22 Cb 0.52 -2.07 0.11 0.00 -0.02 0.00 0.00 35.03 33.57 3g8t n LYS 22 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 3g8t h LYS 23 N 0.19 0.93 0.17 1.97 3.11 -1.96 -1.34 116.57 119.63 3g8t h LYS 23 Ca -0.48 -0.06 -0.30 0.00 -2.81 0.00 0.00 60.65 57.01 3g8t h LYS 23 Cb 1.36 -0.21 0.02 0.00 -1.00 0.00 0.00 32.23 32.40 3g8t h LYS 23 CO 0.48 0.61 -1.31 0.22 -2.81 0.00 0.00 179.45 176.64 3g8t h ASP 24 N 0.95 0.61 0.02 4.20 -0.00 -1.97 -2.80 116.42 117.44 3g8t h ASP 24 Ca 0.33 -0.64 -0.00 0.00 -0.00 0.00 0.00 57.03 56.72 3g8t h ASP 24 Cb 0.08 -0.20 0.00 0.00 -0.00 0.00 0.00 39.33 39.21 3g8t h ASP 24 CO -0.14 1.49 -0.01 -0.08 -0.00 0.00 0.00 179.24 180.51 3g8t h GLU 25 N 0.12 -0.03 -0.65 0.28 4.81 -1.90 -1.63 114.58 115.59 3g8t h GLU 25 Ca -0.18 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.12 3g8t h GLU 25 Cb 2.02 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 31.35 3g8t h GLU 25 CO 0.23 0.14 0.33 1.25 -0.73 0.00 0.00 179.01 180.23 3g8t h LEU 26 N -0.19 0.46 -1.27 1.64 5.85 -1.35 0.22 115.31 120.68 3g8t h LEU 26 Ca -0.00 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 3g8t h LEU 26 Cb 0.18 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 3g8t h LEU 26 CO 0.00 0.29 0.20 0.50 -0.34 0.00 0.00 178.44 179.10 3g8t h LYS 27 N 0.60 0.70 0.18 1.25 3.64 -1.34 -1.59 116.57 120.01 3g8t h LYS 27 Ca 0.30 -0.10 -0.30 0.00 -1.27 0.00 0.00 60.65 59.29 3g8t h LYS 27 Cb 0.25 -0.13 0.03 0.00 -0.41 0.00 0.00 32.23 31.97 3g8t h LYS 27 CO -0.21 0.58 -1.28 0.87 -2.27 0.00 0.00 179.45 177.14 3g8t h LYS 28 N 0.70 0.54 -0.08 1.90 1.57 -0.60 -3.10 116.57 117.51 3g8t h LYS 28 Ca 0.17 -0.83 -0.03 0.00 -1.87 0.00 0.00 60.65 58.09 3g8t h LYS 28 Cb 0.14 0.29 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 3g8t h LYS 28 CO -0.02 1.38 -0.10 0.77 -0.57 0.00 0.00 179.45 180.92 3g8t h SER 29 N 0.11 0.11 0.36 0.86 0.02 -0.37 -1.61 113.55 113.03 3g8t h SER 29 Ca -0.21 -0.02 -0.24 0.00 -0.84 0.00 0.00 61.79 60.48 3g8t h SER 29 Cb 1.98 -0.03 0.01 0.00 0.14 0.00 0.00 62.40 64.50 3g8t h SER 29 CO 0.24 0.23 -1.03 -0.07 -1.14 0.00 0.00 176.83 175.06 3g8t h LEU 30 N 0.11 0.56 -0.55 5.07 3.38 -1.40 -3.13 115.31 119.35 3g8t h LEU 30 Ca 0.02 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.52 3g8t h LEU 30 Cb 0.25 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3g8t h LEU 30 CO 0.01 1.29 0.00 1.57 0.09 0.00 0.00 178.44 181.41 3g8t n HIS 31 N -3.71 0.71 0.14 1.13 -0.00 -0.88 -1.29 115.22 111.32 3g8t n HIS 31 Ca -0.08 0.27 -0.01 0.00 0.46 0.00 0.00 57.72 58.37 3g8t n HIS 31 Cb 0.89 -0.94 0.17 0.00 -0.12 0.00 0.00 29.99 29.98 3g8t n HIS 31 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3g8t h ALA 32 N 2.32 0.92 0.00 1.57 0.00 -1.25 -3.30 119.26 119.53 3g8t h ALA 32 Ca 0.00 -0.55 -0.34 0.00 0.00 0.00 0.00 54.91 54.02 3g8t h ALA 32 Cb 0.38 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 3g8t h ALA 32 CO 0.00 0.76 -2.21 -0.89 0.00 0.00 0.00 179.25 176.91 3g8t n ILE 33 N -3.71 1.21 1.09 0.00 5.41 -0.79 -4.64 119.36 117.93 3g8t n ILE 33 Ca -0.01 -0.41 0.14 0.00 1.00 0.00 0.00 62.75 63.47 3g8t n ILE 33 Cb 0.63 -1.43 0.58 0.00 -0.71 0.00 0.00 39.64 38.71 3g8t n ILE 33 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 3g8t n PHE 34 N -3.41 0.00 0.30 1.39 3.72 -0.41 -3.74 117.46 115.31 3g8t n PHE 34 Ca -0.39 0.00 0.18 0.00 -0.05 0.00 0.00 57.45 57.19 3g8t n PHE 34 Cb 0.87 -0.41 0.80 0.00 -0.94 0.00 0.00 39.48 39.80 3g8t n PHE 34 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3g8t h SER 35 N 0.04 0.00 0.65 4.37 4.64 -1.78 -2.93 113.55 118.54 3g8t h SER 35 Ca 0.00 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.15 3g8t h SER 35 Cb 0.46 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.53 3g8t h SER 35 CO 0.00 0.00 -0.78 0.08 -0.87 0.00 0.00 176.83 175.26 3g8t h ARG 36 N 0.00 0.09 0.00 4.77 0.11 -1.89 -3.23 114.38 114.23 3g8t h ARG 36 Ca 0.00 -0.09 0.00 0.00 0.10 0.00 0.00 59.98 59.99 3g8t h ARG 36 Cb 0.35 0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.45 3g8t h ARG 36 CO 0.00 0.82 0.00 0.74 0.10 0.00 0.00 179.97 181.63 3g8t h PHE 37 N 0.06 0.00 0.00 4.08 0.04 -1.78 -3.48 116.94 115.86 3g8t h PHE 37 Ca -0.02 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.75 3g8t h PHE 37 Cb 1.37 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.52 3g8t h PHE 37 CO 0.01 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.13 3g8t n GLY 38 N 0.22 2.73 3.76 -1.45 0.00 -1.22 -4.34 105.19 104.90 3g8t n GLY 38 Ca 0.02 -1.47 -0.40 0.00 0.00 0.00 0.00 46.02 44.18 3g8t n GLY 38 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3g8t s GLN 39 N -2.00 4.52 -0.16 1.61 -2.07 -1.26 -4.47 119.66 115.82 3g8t s GLN 39 Ca 0.00 1.82 -0.07 0.00 -1.82 0.00 0.00 55.36 55.29 3g8t s GLN 39 Cb 0.00 -3.07 -0.04 0.00 -1.09 0.00 0.00 33.01 28.81 3g8t s GLN 39 CO 0.00 0.09 0.07 0.42 -1.32 0.00 0.00 175.29 174.55 3g8t s ILE 40 N -1.23 4.84 -0.10 3.63 1.01 -1.26 -2.84 121.20 125.25 3g8t s ILE 40 Ca 0.47 -0.02 -0.26 0.00 0.00 0.00 0.00 60.65 60.84 3g8t s ILE 40 Cb -0.32 -3.16 -0.28 0.00 0.01 0.00 0.00 42.46 38.72 3g8t s ILE 40 CO 0.41 0.50 0.83 -0.07 0.00 0.00 0.00 174.94 176.61 3g8t h LEU 41 N 6.29 0.18 -7.00 2.97 3.38 -0.65 -3.48 115.31 117.00 3g8t h LEU 41 Ca -0.41 -0.97 -0.02 0.00 0.09 0.00 0.00 57.88 56.57 3g8t h LEU 41 Cb 1.18 -0.06 -0.20 0.00 0.09 0.00 0.00 40.66 41.67 3g8t h LEU 41 CO 0.67 1.13 0.28 -0.62 0.09 0.00 0.00 178.44 180.00 3g8t s ASP 42 N -6.49 -0.59 -0.24 -0.43 -1.08 -1.23 -5.03 116.67 101.59 3g8t s ASP 42 Ca -0.17 0.67 -0.01 0.00 -0.52 0.00 0.00 52.55 52.52 3g8t s ASP 42 Cb -0.01 0.52 0.03 0.00 -1.46 0.00 0.00 42.92 41.99 3g8t s ASP 42 CO 0.74 -0.52 -0.09 -0.63 0.52 0.00 0.00 175.17 175.19 3g8t s ILE 43 N -1.09 2.67 -0.36 4.11 1.01 -1.26 -1.23 121.20 125.05 3g8t s ILE 43 Ca -0.08 -1.05 -0.16 0.00 0.00 0.00 0.00 60.65 59.36 3g8t s ILE 43 Cb -0.00 -2.33 -0.00 0.00 0.01 0.00 0.00 42.46 40.13 3g8t s ILE 43 CO 0.07 0.24 0.40 -0.76 0.00 0.00 0.00 174.94 174.90 3g8t s LEU 44 N 1.30 4.50 -0.08 2.97 1.02 0.16 -4.92 118.68 123.63 3g8t s LEU 44 Ca 0.00 -0.28 0.03 0.00 0.02 0.00 0.00 54.13 53.91 3g8t s LEU 44 Cb -0.16 -2.38 0.00 0.00 0.02 0.00 0.00 46.19 43.67 3g8t s LEU 44 CO -0.06 -0.40 -0.18 -0.69 0.02 0.00 0.00 176.35 175.03 3g8t s VAL 45 N 2.09 1.60 0.13 -1.59 1.01 -1.26 -2.05 120.40 120.33 3g8t s VAL 45 Ca 0.13 -0.76 0.03 0.00 0.00 0.00 0.00 61.98 61.37 3g8t s VAL 45 Cb -0.16 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.77 3g8t s VAL 45 CO 0.12 0.46 -0.07 -0.55 0.00 0.00 0.00 175.10 175.06 3g8t s SER 46 N 0.41 1.36 0.00 3.32 0.15 -1.26 -5.05 113.70 112.63 3g8t s SER 46 Ca -0.15 -1.04 0.00 0.00 0.70 0.00 0.00 55.95 55.47 3g8t s SER 46 Cb -0.16 0.07 0.00 0.00 -1.71 0.00 0.00 66.02 64.21 3g8t s SER 46 CO 0.06 -0.44 0.77 -1.14 1.20 0.00 0.00 173.24 173.68 3g8t n ARG 47 N -0.13 1.32 -1.22 5.44 3.00 -1.26 -4.00 116.66 119.81 3g8t n ARG 47 Ca -0.11 -1.05 -0.33 0.00 -0.00 0.00 0.00 57.85 56.37 3g8t n ARG 47 Cb 0.61 -0.97 0.11 0.00 0.00 0.00 0.00 32.46 32.22 3g8t n ARG 47 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 3g8t s SER 48 N -0.56 3.92 0.26 6.15 1.04 -1.26 -4.50 113.70 118.75 3g8t s SER 48 Ca 0.00 2.22 -0.03 0.00 0.48 0.00 0.00 55.95 58.62 3g8t s SER 48 Cb 0.00 -2.57 0.55 0.00 0.10 0.00 0.00 66.02 64.10 3g8t s SER 48 CO 0.00 -2.44 1.65 0.25 0.98 0.00 0.00 173.24 173.68 3g8t h LEU 49 N -0.84 -0.14 -0.87 2.42 5.85 -1.96 0.29 115.31 120.05 3g8t h LEU 49 Ca -0.46 0.19 -0.07 0.00 0.84 0.00 0.00 57.88 58.38 3g8t h LEU 49 Cb 1.28 0.28 -0.01 0.00 0.37 0.00 0.00 40.66 42.58 3g8t h LEU 49 CO 0.48 -0.14 -0.34 0.50 -0.34 0.00 0.00 178.44 178.60 3g8t h LYS 50 N 0.18 0.00 -0.00 1.25 3.64 -2.00 -3.34 116.57 116.30 3g8t h LYS 50 Ca 0.47 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.85 3g8t h LYS 50 Cb 0.87 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.69 3g8t h LYS 50 CO -0.63 0.34 0.00 -1.33 -2.27 0.00 0.00 179.45 175.56 3g8t n MET 51 N -3.44 2.77 -3.03 1.90 2.81 0.31 -5.02 117.12 113.42 3g8t n MET 51 Ca 0.00 -1.65 -0.35 0.00 -1.81 0.00 0.00 57.70 53.89 3g8t n MET 51 Cb 0.51 -1.07 -0.06 0.00 -0.71 0.00 0.00 33.22 31.89 3g8t n MET 51 CO 0.00 0.00 0.00 -0.98 1.51 0.00 0.00 175.97 176.50 3g8t s ARG 52 N -1.25 4.25 0.00 0.03 1.70 0.74 -3.69 118.95 120.73 3g8t s ARG 52 Ca 0.05 0.93 0.00 0.00 -0.47 0.00 0.00 55.73 56.23 3g8t s ARG 52 Cb 0.04 -2.70 0.00 0.00 -0.57 0.00 0.00 34.95 31.72 3g8t s ARG 52 CO 0.01 0.28 0.00 0.41 -1.08 0.00 0.00 175.30 174.92 3g8t n GLY 53 N 0.33 0.46 3.32 3.88 0.00 -1.26 -4.98 105.19 106.94 3g8t n GLY 53 Ca 0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 3g8t n GLY 53 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3g8t s GLN 54 N -0.31 1.25 0.06 1.61 -0.21 -1.24 -2.10 119.66 118.72 3g8t s GLN 54 Ca 0.00 -1.42 -0.11 0.00 0.02 0.00 0.00 55.36 53.85 3g8t s GLN 54 Cb 0.00 -1.24 0.01 0.00 1.00 0.00 0.00 33.01 32.78 3g8t s GLN 54 CO 0.00 0.24 0.24 0.00 -2.12 0.00 0.00 175.29 173.66 3g8t s ALA 55 N -2.22 -0.46 -0.21 6.09 0.00 -0.28 -4.49 121.76 120.20 3g8t s ALA 55 Ca 0.16 -0.28 0.01 0.00 0.00 0.00 0.00 51.96 51.84 3g8t s ALA 55 Cb -0.05 0.39 0.05 0.00 0.00 0.00 0.00 23.12 23.51 3g8t s ALA 55 CO 0.06 -0.44 -0.08 -0.06 0.00 0.00 0.00 175.76 175.24 3g8t s PHE 56 N -3.06 2.31 -0.29 0.00 0.40 -0.87 -1.91 117.98 114.56 3g8t s PHE 56 Ca -0.01 -1.58 -0.12 0.00 -0.60 0.00 0.00 56.93 54.61 3g8t s PHE 56 Cb 0.01 -1.57 -0.04 0.00 0.51 0.00 0.00 43.02 41.93 3g8t s PHE 56 CO -0.07 -0.74 0.24 0.08 0.70 0.00 0.00 175.22 175.43 3g8t s VAL 57 N 1.43 5.28 -0.49 -0.44 1.01 -1.00 -0.67 120.40 125.52 3g8t s VAL 57 Ca -0.03 0.15 -0.13 0.00 0.00 0.00 0.00 61.98 61.97 3g8t s VAL 57 Cb -0.17 -3.61 0.10 0.00 0.00 0.00 0.00 36.38 32.70 3g8t s VAL 57 CO -0.07 0.17 0.40 -0.63 0.00 0.00 0.00 175.10 174.96 3g8t s ILE 58 N 1.82 4.85 0.31 2.22 1.01 -0.36 -1.55 121.20 129.49 3g8t s ILE 58 Ca 0.08 -1.41 -0.15 0.00 0.00 0.00 0.00 60.65 59.17 3g8t s ILE 58 Cb -0.16 -4.03 -0.09 0.00 0.01 0.00 0.00 42.46 38.18 3g8t s ILE 58 CO 0.11 -0.70 0.73 -0.36 0.00 0.00 0.00 174.94 174.71 3g8t s PHE 59 N 1.53 3.41 0.23 3.97 0.08 -0.57 0.13 117.98 126.76 3g8t s PHE 59 Ca 0.04 1.23 -0.05 0.00 0.12 0.00 0.00 56.93 58.28 3g8t s PHE 59 Cb -0.26 -2.54 0.22 0.00 -0.57 0.00 0.00 43.02 39.87 3g8t s PHE 59 CO 0.03 0.13 1.69 -0.22 -0.10 0.00 0.00 175.22 176.76 3g8t h LYS 60 N 2.43 0.87 -6.28 0.44 3.64 -1.80 -3.43 116.57 112.44 3g8t h LYS 60 Ca -0.48 -0.28 -0.69 0.00 -1.27 0.00 0.00 60.65 57.94 3g8t h LYS 60 Cb 1.18 -0.08 -0.26 0.00 -0.41 0.00 0.00 32.23 32.65 3g8t h LYS 60 CO 0.65 0.90 -0.82 -1.21 -2.27 0.00 0.00 179.45 176.71 3g8t s GLU 61 N -4.90 2.48 0.36 1.90 0.41 -1.26 -5.01 118.70 112.68 3g8t s GLU 61 Ca -0.10 -0.79 0.03 0.00 -0.41 0.00 0.00 54.97 53.71 3g8t s GLU 61 Cb 0.14 -2.28 0.69 0.00 -1.78 0.00 0.00 34.13 30.90 3g8t s GLU 61 CO 0.83 0.54 2.02 0.28 -0.49 0.00 0.00 175.26 178.44 3g8t h VAL 62 N 4.57 1.15 -0.69 2.63 2.07 -1.86 -2.03 116.25 122.09 3g8t h VAL 62 Ca -0.42 -0.29 0.13 0.00 0.82 0.00 0.00 66.70 66.94 3g8t h VAL 62 Cb 1.15 0.31 -0.13 0.00 -1.52 0.00 0.00 31.29 31.11 3g8t h VAL 62 CO 0.49 0.15 -0.27 -1.28 0.02 0.00 0.00 177.57 176.68 3g8t h SER 63 N 0.78 -0.97 -0.79 0.57 0.87 -1.95 -0.11 113.55 111.95 3g8t h SER 63 Ca 0.21 0.23 0.01 0.00 -1.23 0.00 0.00 61.79 61.01 3g8t h SER 63 Cb -0.08 0.54 -0.04 0.00 -0.44 0.00 0.00 62.40 62.38 3g8t h SER 63 CO -0.04 -0.28 0.52 0.28 -0.53 0.00 0.00 176.83 176.78 3g8t h SER 64 N -0.08 0.90 -0.39 6.23 0.02 -1.56 -2.57 113.55 116.11 3g8t h SER 64 Ca 0.30 -0.02 -0.10 0.00 -0.84 0.00 0.00 61.79 61.13 3g8t h SER 64 Cb 0.55 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.85 3g8t h SER 64 CO -0.75 0.65 -0.10 0.00 -1.14 0.00 0.00 176.83 175.49 3g8t h ALA 65 N 1.29 0.95 -0.23 3.77 0.00 -1.04 -1.64 119.26 122.36 3g8t h ALA 65 Ca 0.29 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 3g8t h ALA 65 Cb -0.11 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 3g8t h ALA 65 CO -0.07 0.62 -0.27 1.15 0.00 0.00 0.00 179.25 180.67 3g8t h THR 66 N 0.75 1.32 -0.24 0.00 2.02 -0.90 -1.95 112.91 113.91 3g8t h THR 66 Ca 0.13 -1.46 -0.00 0.00 0.77 0.00 0.00 66.41 65.85 3g8t h THR 66 Cb 0.60 1.72 -0.01 0.00 -1.74 0.00 0.00 68.15 68.72 3g8t h THR 66 CO 0.04 0.45 0.14 0.78 0.37 0.00 0.00 175.52 177.31 3g8t h ASN 67 N 0.29 0.29 -0.71 4.18 2.35 -1.41 -2.05 115.58 118.53 3g8t h ASN 67 Ca 0.03 -0.05 0.02 0.00 -0.55 0.00 0.00 56.30 55.75 3g8t h ASN 67 Cb 0.84 -0.07 -0.04 0.00 0.05 0.00 0.00 38.32 39.10 3g8t h ASN 67 CO 0.07 0.25 0.47 0.00 -1.65 0.00 0.00 177.43 176.57 3g8t h ALA 68 N 1.04 1.55 -0.35 -0.83 0.00 -1.29 -1.03 119.26 118.35 3g8t h ALA 68 Ca 0.09 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 3g8t h ALA 68 Cb 0.02 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3g8t h ALA 68 CO -0.02 0.39 -0.09 1.25 0.00 0.00 0.00 179.25 180.78 3g8t h LEU 69 N 0.90 0.69 -0.84 0.00 6.46 -1.16 -2.05 115.31 119.30 3g8t h LEU 69 Ca 0.27 -0.37 -0.11 0.00 -0.12 0.00 0.00 57.88 57.55 3g8t h LEU 69 Cb -0.01 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 39.71 3g8t h LEU 69 CO -0.07 0.90 -0.52 0.03 -0.62 0.00 0.00 178.44 178.16 3g8t h ARG 70 N 0.47 0.00 0.00 1.25 3.08 -0.77 -3.16 114.38 115.25 3g8t h ARG 70 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 3g8t h ARG 70 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.65 3g8t h ARG 70 CO 0.04 0.52 -0.29 0.77 -1.07 0.00 0.00 179.97 179.94 3g8t h SER 71 N 0.00 0.00 0.38 7.04 0.02 -1.23 -3.40 113.55 116.35 3g8t h SER 71 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 3g8t h SER 71 Cb 1.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.55 3g8t h SER 71 CO 0.07 0.63 0.00 0.23 -1.14 0.00 0.00 176.83 176.62 3g8t n MET 72 N -4.62 0.60 -1.68 3.45 2.81 -0.77 -4.80 117.12 112.11 3g8t n MET 72 Ca -0.04 0.00 -0.49 0.00 -1.81 0.00 0.00 57.70 55.36 3g8t n MET 72 Cb 0.15 -1.50 -0.05 0.00 -0.71 0.00 0.00 33.22 31.11 3g8t n MET 72 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 3g8t n GLN 73 N -1.19 2.03 -0.98 0.03 -0.06 -1.19 -1.12 117.38 114.90 3g8t n GLN 73 Ca 0.17 0.74 0.00 0.00 -2.00 0.00 0.00 57.00 55.91 3g8t n GLN 73 Cb 0.19 -2.55 0.00 0.00 -4.06 0.00 0.00 30.24 23.82 3g8t n GLN 73 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3g8t n GLY 74 N 4.15 0.54 3.67 1.69 0.00 -0.27 -4.93 105.19 110.04 3g8t n GLY 74 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 3g8t n GLY 74 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3g8t s PHE 75 N -2.31 2.23 0.04 1.61 2.19 -0.28 -4.11 117.98 117.34 3g8t s PHE 75 Ca 0.00 0.32 -0.30 0.00 0.33 0.00 0.00 56.93 57.28 3g8t s PHE 75 Cb 0.00 -3.89 -0.08 0.00 -1.31 0.00 0.00 43.02 37.74 3g8t s PHE 75 CO 0.00 -3.64 1.64 -2.14 1.83 0.00 0.00 175.22 172.91 3g8t s PRO 76 N 3.42 4.20 -0.18 10.12 0.02 -1.26 -0.67 135.00 150.65 3g8t s PRO 76 Ca 0.72 2.28 -0.04 0.00 0.02 0.00 0.00 61.00 63.98 3g8t s PRO 76 Cb -0.35 -3.67 0.09 0.00 0.02 0.00 0.00 34.50 30.59 3g8t s PRO 76 CO 0.30 -0.74 0.27 0.12 -0.33 0.00 0.00 177.00 176.61 3g8t s PHE 77 N 2.89 -0.44 -1.40 6.54 5.36 0.40 -4.79 117.98 126.54 3g8t s PHE 77 Ca 0.73 0.66 -0.04 0.00 -0.96 0.00 0.00 56.93 57.33 3g8t s PHE 77 Cb -0.38 -0.15 0.03 0.00 -0.34 0.00 0.00 43.02 42.18 3g8t s PHE 77 CO 0.32 -0.51 0.70 0.66 -1.46 0.00 0.00 175.22 174.92 3g8t n TYR 78 N 5.34 -1.93 -1.01 10.12 4.01 -1.26 -1.98 117.16 130.45 3g8t n TYR 78 Ca -0.05 0.83 -0.00 0.00 -0.16 0.00 0.00 57.90 58.51 3g8t n TYR 78 Cb 0.50 -4.08 -0.00 0.00 -0.31 0.00 0.00 39.34 35.44 3g8t n TYR 78 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3g8t n ASP 79 N -2.97 -4.67 -3.97 7.72 9.92 -1.26 -4.77 116.55 116.54 3g8t n ASP 79 Ca -0.21 0.01 -0.25 0.00 -0.53 0.00 0.00 54.79 53.81 3g8t n ASP 79 Cb 0.64 -2.20 -0.17 0.00 -0.64 0.00 0.00 41.12 38.75 3g8t n ASP 79 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 3g8t s LYS 80 N -1.18 1.55 0.12 -1.24 1.02 -0.84 -5.07 119.74 114.11 3g8t s LYS 80 Ca 0.00 -0.33 -0.31 0.00 0.02 0.00 0.00 55.97 55.35 3g8t s LYS 80 Cb 0.00 -1.41 -0.08 0.00 -0.52 0.00 0.00 37.83 35.81 3g8t s LYS 80 CO 0.00 -0.09 1.44 -1.25 -0.92 0.00 0.00 175.35 174.54 3g8t s PRO 81 N 1.06 4.29 0.74 -1.68 0.04 -1.26 -0.45 135.00 137.73 3g8t s PRO 81 Ca -0.07 2.16 -0.12 0.00 0.04 0.00 0.00 61.00 63.00 3g8t s PRO 81 Cb -0.15 -3.24 0.04 0.00 0.04 0.00 0.00 34.50 31.20 3g8t s PRO 81 CO -0.01 -0.49 1.10 -1.64 0.04 0.00 0.00 177.00 176.00 3g8t s MET 82 N 1.19 2.39 -0.13 4.56 -1.94 0.15 -4.82 119.30 120.70 3g8t s MET 82 Ca 0.66 1.24 -0.04 0.00 -1.71 0.00 0.00 55.69 55.84 3g8t s MET 82 Cb -0.39 -1.91 0.05 0.00 2.01 0.00 0.00 34.83 34.60 3g8t s MET 82 CO 0.30 -1.55 0.10 0.50 -0.01 0.00 0.00 175.02 174.36 3g8t s ARG 83 N -4.67 0.02 -0.01 2.03 3.52 -1.09 -1.12 118.95 117.64 3g8t s ARG 83 Ca 0.63 0.13 0.05 0.00 -0.13 0.00 0.00 55.73 56.41 3g8t s ARG 83 Cb -0.18 -1.26 -0.03 0.00 -1.56 0.00 0.00 34.95 31.92 3g8t s ARG 83 CO 0.52 -0.54 -0.14 0.42 -0.81 0.00 0.00 175.30 174.75 3g8t s ILE 84 N 2.17 3.08 0.38 4.11 1.01 -1.26 -1.04 121.20 129.65 3g8t s ILE 84 Ca 0.03 -0.87 0.05 0.00 0.00 0.00 0.00 60.65 59.86 3g8t s ILE 84 Cb -0.14 -2.26 -0.03 0.00 0.01 0.00 0.00 42.46 40.04 3g8t s ILE 84 CO -0.07 0.48 0.18 -1.10 0.00 0.00 0.00 174.94 174.43 3g8t s GLN 85 N -1.07 1.85 0.44 2.79 -0.21 0.12 -4.99 119.66 118.60 3g8t s GLN 85 Ca 0.13 -2.11 -0.08 0.00 0.02 0.00 0.00 55.36 53.32 3g8t s GLN 85 Cb -0.11 -0.25 -0.05 0.00 1.00 0.00 0.00 33.01 33.60 3g8t s GLN 85 CO 0.03 -0.54 0.78 0.71 -2.12 0.00 0.00 175.29 174.15 3g8t s TYR 86 N -3.32 3.51 0.24 0.91 2.02 -1.26 -0.84 117.35 118.62 3g8t s TYR 86 Ca 0.30 0.96 -0.30 0.00 -0.37 0.00 0.00 57.07 57.66 3g8t s TYR 86 Cb 0.02 -2.39 -0.10 0.00 -0.40 0.00 0.00 41.96 39.09 3g8t s TYR 86 CO 0.19 -0.19 1.42 0.00 -1.57 0.00 0.00 175.55 175.40 3g8t s ALA 87 N -2.54 3.62 0.32 3.71 0.00 0.12 -4.46 121.76 122.53 3g8t s ALA 87 Ca 0.50 1.30 0.02 0.00 0.00 0.00 0.00 51.96 53.78 3g8t s ALA 87 Cb -0.10 -3.55 0.56 0.00 0.00 0.00 0.00 23.12 20.02 3g8t s ALA 87 CO 0.37 -0.72 1.89 0.87 0.00 0.00 0.00 175.76 178.18 3g8t h LYS 88 N 5.05 0.68 -4.96 0.00 6.56 -1.95 -3.44 116.57 118.51 3g8t h LYS 88 Ca -0.46 -0.12 -0.30 0.00 -1.06 0.00 0.00 60.65 58.72 3g8t h LYS 88 Cb 1.22 -0.11 -0.15 0.00 -0.57 0.00 0.00 32.23 32.62 3g8t h LYS 88 CO 0.77 0.61 -0.71 0.95 -2.06 0.00 0.00 179.45 179.01 3g8t s THR 89 N -5.20 1.03 0.61 -0.16 -4.23 -1.26 -5.00 115.64 101.43 3g8t s THR 89 Ca -0.09 -2.01 -0.19 0.00 -1.18 0.00 0.00 61.69 58.23 3g8t s THR 89 Cb 0.16 -1.78 -0.03 0.00 1.34 0.00 0.00 72.50 72.19 3g8t s THR 89 CO 0.77 -0.77 1.23 -1.81 -0.54 0.00 0.00 174.62 173.50 3g8t s ASP 90 N -3.10 5.03 0.53 3.99 1.01 -1.26 -4.97 116.67 117.90 3g8t s ASP 90 Ca 0.15 2.45 -0.18 0.00 0.71 0.00 0.00 52.55 55.68 3g8t s ASP 90 Cb 0.03 -2.60 -0.07 0.00 1.01 0.00 0.00 42.92 41.29 3g8t s ASP 90 CO -0.01 -1.70 1.02 -0.44 0.21 0.00 0.00 175.17 174.25 3g8t s SER 91 N -1.55 6.29 0.23 0.27 0.01 -1.26 -4.82 113.70 112.87 3g8t s SER 91 Ca 0.79 1.76 -0.07 0.00 1.31 0.00 0.00 55.95 59.74 3g8t s SER 91 Cb -0.32 -2.53 0.29 0.00 0.21 0.00 0.00 66.02 63.67 3g8t s SER 91 CO 0.35 -0.82 1.83 0.44 0.41 0.00 0.00 173.24 175.46 3g8t h ASP 92 N 1.02 0.72 0.31 2.44 3.32 -1.97 0.50 116.42 122.75 3g8t h ASP 92 Ca -0.48 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 56.57 3g8t h ASP 92 Cb 1.21 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 40.63 3g8t h ASP 92 CO 0.59 0.46 -0.13 -0.29 -1.72 0.00 0.00 179.24 178.16 3g8t h ILE 93 N 0.85 0.67 0.00 0.35 2.10 -1.94 0.10 117.51 119.64 3g8t h ILE 93 Ca 0.34 -0.53 -0.10 0.00 1.08 0.00 0.00 64.86 65.65 3g8t h ILE 93 Cb 0.18 1.33 -0.02 0.00 -1.09 0.00 0.00 36.82 37.22 3g8t h ILE 93 CO -0.18 0.12 -0.62 0.40 -1.08 0.00 0.00 178.15 176.80 3g8t h ILE 94 N 0.00 1.04 -0.45 2.19 1.08 -1.53 -3.39 117.51 116.45 3g8t h ILE 94 Ca -0.00 -2.00 -0.06 0.00 -0.39 0.00 0.00 64.86 62.40 3g8t h ILE 94 Cb 0.32 2.19 -0.02 0.00 -3.07 0.00 0.00 36.82 36.24 3g8t h ILE 94 CO 0.02 0.35 0.03 0.00 -0.69 0.00 0.00 178.15 177.86 3g8t h ALA 95 N -0.42 0.60 -0.02 1.87 0.00 0.01 -3.49 119.26 117.82 3g8t h ALA 95 Ca -0.16 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3g8t h ALA 95 Cb 0.99 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3g8t h ALA 95 CO -0.09 0.37 0.00 0.36 0.00 0.00 0.00 179.25 179.88