#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 2.98 -0.01 0.00 0.04 -1.26 -4.80 135.00 131.94 3g8t s PRO 8 Ca 0.00 -0.24 -0.24 0.00 0.04 0.00 0.00 61.00 60.57 3g8t s PRO 8 Cb 0.00 -2.40 0.05 0.00 0.04 0.00 0.00 34.50 32.19 3g8t s PRO 8 CO 0.00 -0.51 0.52 1.21 0.04 0.00 0.00 177.00 178.26 3g8t s ASN 9 N -4.27 -0.45 0.29 6.66 3.84 -1.26 -4.98 114.94 114.78 3g8t s ASN 9 Ca 0.51 0.38 0.02 0.00 0.21 0.00 0.00 52.86 53.98 3g8t s ASN 9 Cb -0.10 0.45 0.59 0.00 -0.55 0.00 0.00 41.25 41.64 3g8t s ASN 9 CO 0.42 -0.58 1.85 0.45 -2.79 0.00 0.00 177.10 176.44 3g8t h HIS 10 N 3.22 1.09 -3.10 0.43 3.86 -1.90 -3.42 115.15 115.34 3g8t h HIS 10 Ca -0.29 0.03 -0.61 0.00 -1.16 0.00 0.00 60.37 58.35 3g8t h HIS 10 Cb 1.17 -0.35 -0.08 0.00 1.06 0.00 0.00 27.41 29.21 3g8t h HIS 10 CO 0.42 0.44 -0.30 0.99 0.86 0.00 0.00 177.93 180.34 3g8t s THR 11 N -5.91 5.25 -0.09 2.45 2.01 -1.26 -2.18 115.64 115.91 3g8t s THR 11 Ca -0.12 0.61 -0.01 0.00 0.31 0.00 0.00 61.69 62.48 3g8t s THR 11 Cb 0.22 -3.63 -0.03 0.00 0.01 0.00 0.00 72.50 69.07 3g8t s THR 11 CO 0.81 0.48 -0.03 0.27 -0.69 0.00 0.00 174.62 175.46 3g8t s ILE 12 N -0.25 4.07 -0.31 1.82 -4.36 -0.80 -1.08 121.20 120.30 3g8t s ILE 12 Ca 0.19 -0.33 -0.14 0.00 -0.26 0.00 0.00 60.65 60.11 3g8t s ILE 12 Cb -0.14 -2.71 -0.03 0.00 1.25 0.00 0.00 42.46 40.84 3g8t s ILE 12 CO 0.07 0.59 0.31 -0.47 0.24 0.00 0.00 174.94 175.68 3g8t s TYR 13 N -0.71 3.22 -0.10 1.37 5.04 -0.32 -3.15 117.35 122.70 3g8t s TYR 13 Ca 0.11 0.11 -0.01 0.00 -2.44 0.00 0.00 57.07 54.84 3g8t s TYR 13 Cb -0.12 -2.55 -0.03 0.00 0.35 0.00 0.00 41.96 39.61 3g8t s TYR 13 CO 0.02 -0.30 -0.06 0.42 -1.34 0.00 0.00 175.55 174.29 3g8t s ILE 14 N 1.94 3.79 0.14 3.14 1.01 -0.93 -0.56 121.20 129.72 3g8t s ILE 14 Ca 0.11 -0.43 0.03 0.00 0.00 0.00 0.00 60.65 60.36 3g8t s ILE 14 Cb -0.16 -2.59 -0.01 0.00 0.01 0.00 0.00 42.46 39.70 3g8t s ILE 14 CO 0.11 0.56 0.10 -0.46 0.00 0.00 0.00 174.94 175.25 3g8t n ASN 15 N 2.74 -0.01 -3.00 3.58 6.94 -0.11 -1.19 115.26 124.22 3g8t n ASN 15 Ca -0.18 -1.89 -0.21 0.00 -0.02 0.00 0.00 54.58 52.28 3g8t n ASN 15 Cb 0.53 0.62 0.05 0.00 -2.36 0.00 0.00 39.78 38.62 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 -2.34 -5.94 -4.87 0.53 2.85 -1.11 -1.96 115.26 102.42 3g8t n ASN 16 Ca 0.02 -0.34 -0.33 0.00 -0.11 0.00 0.00 54.58 53.82 3g8t n ASN 16 Cb 0.25 -4.70 -0.05 0.00 1.24 0.00 0.00 39.78 36.51 3g8t n ASN 16 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 3g8t s LEU 17 N -6.46 4.23 -0.13 1.20 1.43 -0.74 -4.57 118.68 113.63 3g8t s LEU 17 Ca 0.37 0.88 -0.29 0.00 -1.03 0.00 0.00 54.13 54.06 3g8t s LEU 17 Cb -0.16 -3.49 -0.06 0.00 0.03 0.00 0.00 46.19 42.51 3g8t s LEU 17 CO 0.45 -0.00 2.04 0.21 0.23 0.00 0.00 176.35 179.29 3g8t s ASN 18 N -2.21 5.93 0.41 2.29 3.84 -1.26 -4.47 114.94 119.47 3g8t s ASN 18 Ca 0.43 2.12 0.29 0.00 0.21 0.00 0.00 52.86 55.91 3g8t s ASN 18 Cb -0.12 -2.52 1.16 0.00 -0.55 0.00 0.00 41.25 39.22 3g8t s ASN 18 CO 0.21 -1.55 1.85 -0.33 -2.79 0.00 0.00 177.10 174.49 3g8t h GLU 19 N 12.88 0.00 0.00 0.43 5.08 -1.95 -3.11 114.58 127.92 3g8t h GLU 19 Ca -0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 3g8t h GLU 19 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 3g8t h GLU 19 CO 0.96 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 180.60 3g8t n LYS 20 N -2.68 0.47 -3.72 2.33 4.01 -1.26 -4.79 118.16 112.52 3g8t n LYS 20 Ca 0.01 0.04 -0.35 0.00 -0.51 0.00 0.00 58.31 57.50 3g8t n LYS 20 Cb 0.28 -1.50 -0.08 0.00 -0.51 0.00 0.00 35.03 33.22 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 -2.41 5.40 0.42 -0.18 1.09 -1.18 -5.07 121.20 119.27 3g8t s ILE 21 Ca 0.27 0.24 -0.25 0.00 -1.10 0.00 0.00 60.65 59.81 3g8t s ILE 21 Cb 0.17 -3.49 -0.08 0.00 -1.06 0.00 0.00 42.46 38.00 3g8t s ILE 21 CO 0.35 0.45 1.21 -1.59 -0.10 0.00 0.00 174.94 175.26 3g8t s LYS 22 N 0.22 3.94 0.14 2.79 -2.85 -1.26 -4.78 119.74 117.95 3g8t s LYS 22 Ca 0.10 1.93 -0.18 0.00 -1.00 0.00 0.00 55.97 56.83 3g8t s LYS 22 Cb -0.11 -2.64 0.05 0.00 -2.06 0.00 0.00 37.83 33.07 3g8t s LYS 22 CO -0.01 -0.44 1.11 1.17 0.10 0.00 0.00 175.35 177.29 3g8t n LYS 23 N -0.04 -0.25 -0.06 1.78 0.00 -1.26 -1.48 118.16 116.85 3g8t n LYS 23 Ca 0.05 1.10 -0.12 0.00 0.00 0.00 0.00 58.31 59.34 3g8t n LYS 23 Cb 0.46 -1.62 0.01 0.00 0.00 0.00 0.00 35.03 33.88 3g8t n LYS 23 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.40 177.62 3g8t h ASP 24 N 0.00 0.84 -0.33 3.14 -0.00 -1.95 -1.09 116.42 117.03 3g8t h ASP 24 Ca 0.18 -0.41 -0.01 0.00 -0.00 0.00 0.00 57.03 56.78 3g8t h ASP 24 Cb 0.36 -0.24 -0.01 0.00 -0.00 0.00 0.00 39.33 39.44 3g8t h ASP 24 CO -0.70 1.17 0.15 -0.08 -0.00 0.00 0.00 179.24 179.79 3g8t h GLU 25 N 0.61 0.48 -0.65 0.28 4.81 -1.64 -1.98 114.58 116.50 3g8t h GLU 25 Ca 0.03 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 3g8t h GLU 25 Cb 1.04 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.31 3g8t h GLU 25 CO 0.10 0.45 0.32 1.25 -0.73 0.00 0.00 179.01 180.40 3g8t h LEU 26 N 0.39 0.84 -1.84 1.64 5.85 -1.27 0.81 115.31 121.72 3g8t h LEU 26 Ca 0.11 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 3g8t h LEU 26 Cb 0.13 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 40.94 3g8t h LEU 26 CO -0.01 0.73 -0.14 0.50 -0.34 0.00 0.00 178.44 179.18 3g8t h LYS 27 N 0.89 0.00 0.09 1.25 3.64 -0.99 -0.79 116.57 120.66 3g8t h LYS 27 Ca 0.22 0.00 -0.36 0.00 -1.27 0.00 0.00 60.65 59.24 3g8t h LYS 27 Cb 0.11 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.90 3g8t h LYS 27 CO -0.03 0.14 -2.04 1.63 -2.27 0.00 0.00 179.45 176.87 3g8t n LYS 28 N -4.01 0.73 0.22 1.90 5.02 -0.76 -3.47 118.16 117.79 3g8t n LYS 28 Ca -0.02 0.24 0.06 0.00 -2.02 0.00 0.00 58.31 56.57 3g8t n LYS 28 Cb 0.22 -1.69 0.51 0.00 -0.02 0.00 0.00 35.03 34.05 3g8t n LYS 28 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 3g8t h SER 29 N 0.05 0.00 0.01 4.39 0.02 -0.69 -2.16 113.55 115.17 3g8t h SER 29 Ca -0.43 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.52 3g8t h SER 29 Cb 2.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.56 3g8t h SER 29 CO 0.06 0.22 -0.00 -0.07 -1.14 0.00 0.00 176.83 175.90 3g8t h LEU 30 N 0.00 -0.01 -2.02 5.07 3.38 -1.31 -3.26 115.31 117.17 3g8t h LEU 30 Ca -0.00 -0.45 0.12 0.00 0.09 0.00 0.00 57.88 57.64 3g8t h LEU 30 Cb 0.43 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 3g8t h LEU 30 CO 0.03 0.45 0.30 -0.74 0.09 0.00 0.00 178.44 178.56 3g8t h HIS 31 N -0.46 0.00 -0.77 1.13 2.76 -1.49 -1.91 115.15 114.41 3g8t h HIS 31 Ca -0.00 0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.19 3g8t h HIS 31 Cb 0.45 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 29.37 3g8t h HIS 31 CO 0.08 0.00 0.50 0.00 -1.30 0.00 0.00 177.93 177.21 3g8t h ALA 32 N 1.78 1.00 0.00 5.26 0.00 -1.44 -2.86 119.26 123.00 3g8t h ALA 32 Ca 0.19 -0.04 -0.33 0.00 0.00 0.00 0.00 54.91 54.73 3g8t h ALA 32 Cb 0.79 -0.28 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 3g8t h ALA 32 CO -0.00 0.34 -2.07 -0.89 0.00 0.00 0.00 179.25 176.62 3g8t n ILE 33 N -4.58 1.50 1.42 0.00 5.41 -0.75 -4.22 119.36 118.14 3g8t n ILE 33 Ca 0.08 -0.82 0.14 0.00 1.00 0.00 0.00 62.75 63.15 3g8t n ILE 33 Cb 0.06 -0.79 0.49 0.00 -0.71 0.00 0.00 39.64 38.69 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 -2.92 0.00 0.23 1.39 3.72 -1.00 -4.00 117.46 114.89 3g8t n PHE 34 Ca -0.26 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.26 3g8t n PHE 34 Cb 1.10 -0.05 0.48 0.00 -0.94 0.00 0.00 39.48 40.07 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 1.79 0.00 0.54 4.37 4.64 -1.67 -3.13 113.55 120.09 3g8t h SER 35 Ca 0.00 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.16 3g8t h SER 35 Cb 0.48 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.56 3g8t h SER 35 CO 0.00 0.16 -0.73 0.08 -0.87 0.00 0.00 176.83 175.47 3g8t h ARG 36 N 0.00 0.15 0.00 4.77 0.11 -1.84 -3.25 114.38 114.32 3g8t h ARG 36 Ca -0.00 -0.13 -0.06 0.00 0.10 0.00 0.00 59.98 59.89 3g8t h ARG 36 Cb 0.73 0.03 -0.01 0.00 1.11 0.00 0.00 29.97 31.83 3g8t h ARG 36 CO 0.02 0.81 -0.27 0.74 0.10 0.00 0.00 179.97 181.37 3g8t h PHE 37 N 0.10 0.00 0.00 4.08 0.04 -1.81 -3.48 116.94 115.87 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 1.29 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.44 3g8t h PHE 37 CO 0.02 0.27 0.00 0.41 -0.60 0.00 0.00 178.31 178.41 3g8t n GLY 38 N 0.24 -0.20 3.71 -1.45 0.00 -1.23 -4.40 105.19 101.85 3g8t n GLY 38 Ca 0.00 -1.22 -0.42 0.00 0.00 0.00 0.00 46.02 44.38 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 4.48 -0.08 1.61 -2.07 -1.26 -4.45 119.66 115.88 3g8t s GLN 39 Ca 0.00 1.57 -0.19 0.00 -1.82 0.00 0.00 55.36 54.91 3g8t s GLN 39 Cb 0.00 -3.44 -0.04 0.00 -1.09 0.00 0.00 33.01 28.44 3g8t s GLN 39 CO 0.00 -0.19 0.54 0.42 -1.32 0.00 0.00 175.29 174.73 3g8t s ILE 40 N 1.26 5.11 -0.09 3.63 1.01 -1.26 -2.95 121.20 127.90 3g8t s ILE 40 Ca 0.54 1.09 -0.24 0.00 0.00 0.00 0.00 60.65 62.04 3g8t s ILE 40 Cb -0.24 -3.87 -0.29 0.00 0.01 0.00 0.00 42.46 38.07 3g8t s ILE 40 CO 0.27 0.34 0.80 -0.07 0.00 0.00 0.00 174.94 176.27 3g8t h LEU 41 N 6.47 0.27 -7.00 2.97 3.38 -1.39 -3.48 115.31 116.52 3g8t h LEU 41 Ca -0.42 -0.95 0.00 0.00 0.09 0.00 0.00 57.88 56.60 3g8t h LEU 41 Cb 1.19 -0.09 -0.23 0.00 0.09 0.00 0.00 40.66 41.62 3g8t h LEU 41 CO 0.74 1.26 0.27 -0.62 0.09 0.00 0.00 178.44 180.18 3g8t s ASP 42 N -6.69 -0.62 -0.22 -0.43 -1.08 -1.24 -5.04 116.67 101.34 3g8t s ASP 42 Ca -0.17 1.19 -0.05 0.00 -0.52 0.00 0.00 52.55 53.00 3g8t s ASP 42 Cb -0.00 1.20 -0.02 0.00 -1.46 0.00 0.00 42.92 42.64 3g8t s ASP 42 CO 0.76 -0.22 0.00 -0.63 0.52 0.00 0.00 175.17 175.61 3g8t s ILE 43 N 0.26 3.83 -0.32 4.11 1.01 -1.26 -1.45 121.20 127.38 3g8t s ILE 43 Ca 0.01 -0.34 -0.10 0.00 0.00 0.00 0.00 60.65 60.22 3g8t s ILE 43 Cb -0.05 -2.76 -0.00 0.00 0.01 0.00 0.00 42.46 39.66 3g8t s ILE 43 CO -0.02 0.40 0.17 -0.76 0.00 0.00 0.00 174.94 174.73 3g8t s LEU 44 N 1.38 4.24 -0.08 2.97 1.02 -0.85 -4.91 118.68 122.46 3g8t s LEU 44 Ca 0.05 -0.56 0.01 0.00 0.02 0.00 0.00 54.13 53.65 3g8t s LEU 44 Cb -0.15 -2.03 0.02 0.00 0.02 0.00 0.00 46.19 44.06 3g8t s LEU 44 CO 0.00 -0.22 -0.10 -0.69 0.02 0.00 0.00 176.35 175.37 3g8t s VAL 45 N 1.62 1.01 0.53 -1.59 1.01 -1.26 -1.43 120.40 120.28 3g8t s VAL 45 Ca 0.05 -0.36 0.03 0.00 0.00 0.00 0.00 61.98 61.70 3g8t s VAL 45 Cb -0.17 -0.97 0.01 0.00 0.00 0.00 0.00 36.38 35.25 3g8t s VAL 45 CO 0.07 0.34 0.21 -0.55 0.00 0.00 0.00 175.10 175.17 3g8t s SER 46 N 1.03 4.39 0.00 3.32 0.15 -1.26 -5.00 113.70 116.33 3g8t s SER 46 Ca -0.08 -1.44 0.00 0.00 0.70 0.00 0.00 55.95 55.13 3g8t s SER 46 Cb -0.15 0.45 0.00 0.00 -1.71 0.00 0.00 66.02 64.62 3g8t s SER 46 CO -0.00 -0.98 0.52 -1.14 1.20 0.00 0.00 173.24 172.84 3g8t n ARG 47 N -1.52 0.31 -0.39 5.44 3.00 -1.26 -4.34 116.66 117.89 3g8t n ARG 47 Ca -0.10 -0.58 -0.29 0.00 -0.00 0.00 0.00 57.85 56.88 3g8t n ARG 47 Cb 0.66 -0.56 0.28 0.00 0.00 0.00 0.00 32.46 32.84 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 -0.11 -0.19 0.40 6.15 1.04 -1.26 -4.55 113.70 115.18 3g8t s SER 48 Ca 0.00 1.24 0.08 0.00 0.48 0.00 0.00 55.95 57.75 3g8t s SER 48 Cb 0.00 -1.88 0.82 0.00 0.10 0.00 0.00 66.02 65.06 3g8t s SER 48 CO 0.00 -4.88 1.99 0.25 0.98 0.00 0.00 173.24 171.58 3g8t h LEU 49 N -3.09 0.38 0.00 2.42 5.85 -1.99 -2.16 115.31 116.72 3g8t h LEU 49 Ca -0.55 -0.04 -0.22 0.00 0.84 0.00 0.00 57.88 57.91 3g8t h LEU 49 Cb 1.34 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 42.24 3g8t h LEU 49 CO 0.41 0.37 -1.27 0.50 -0.34 0.00 0.00 178.44 178.11 3g8t h LYS 50 N 0.42 0.00 -0.07 1.25 3.64 -2.01 -3.39 116.57 116.40 3g8t h LYS 50 Ca 0.10 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 3g8t h LYS 50 Cb 0.14 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 3g8t h LYS 50 CO -0.01 0.66 0.00 -1.33 -2.27 0.00 0.00 179.45 176.50 3g8t n MET 51 N -3.16 2.80 -2.26 1.90 2.81 -1.15 -5.05 117.12 113.02 3g8t n MET 51 Ca -0.07 -1.75 -0.31 0.00 -1.81 0.00 0.00 57.70 53.75 3g8t n MET 51 Cb 0.95 -1.13 -0.01 0.00 -0.71 0.00 0.00 33.22 32.32 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 3.76 -0.33 0.03 1.70 -0.82 -3.83 118.95 118.20 3g8t s ARG 52 Ca 0.09 0.76 0.00 0.00 -0.47 0.00 0.00 55.73 56.10 3g8t s ARG 52 Cb 0.06 -2.16 0.00 0.00 -0.57 0.00 0.00 34.95 32.28 3g8t s ARG 52 CO 0.03 -0.36 0.00 0.41 -1.08 0.00 0.00 175.30 174.30 3g8t n GLY 53 N -2.07 0.52 3.36 3.88 0.00 -1.26 -4.97 105.19 104.64 3g8t n GLY 53 Ca 0.05 -0.15 -0.19 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.57 1.37 0.08 1.61 -0.21 -1.25 -1.79 119.66 117.90 3g8t s GLN 54 Ca 0.00 -1.65 -0.14 0.00 0.02 0.00 0.00 55.36 53.60 3g8t s GLN 54 Cb 0.00 -1.03 0.02 0.00 1.00 0.00 0.00 33.01 33.00 3g8t s GLN 54 CO 0.00 0.10 0.31 0.00 -2.12 0.00 0.00 175.29 173.58 3g8t s ALA 55 N -3.07 -0.67 -0.54 6.09 0.00 -0.33 -4.59 121.76 118.65 3g8t s ALA 55 Ca 0.25 -0.14 0.04 0.00 0.00 0.00 0.00 51.96 52.11 3g8t s ALA 55 Cb 0.02 0.48 0.17 0.00 0.00 0.00 0.00 23.12 23.78 3g8t s ALA 55 CO 0.08 -0.51 0.40 -0.06 0.00 0.00 0.00 175.76 175.66 3g8t s PHE 56 N -3.27 2.26 -0.31 0.00 0.40 -0.52 -2.20 117.98 114.35 3g8t s PHE 56 Ca -0.00 -2.77 -0.29 0.00 -0.60 0.00 0.00 56.93 53.27 3g8t s PHE 56 Cb 0.01 -1.79 0.00 0.00 0.51 0.00 0.00 43.02 41.75 3g8t s PHE 56 CO -0.08 -0.70 1.32 0.08 0.70 0.00 0.00 175.22 176.54 3g8t s VAL 57 N -0.57 4.11 -0.22 -0.44 1.01 -1.19 -2.00 120.40 121.10 3g8t s VAL 57 Ca 0.28 1.25 -0.09 0.00 0.00 0.00 0.00 61.98 63.41 3g8t s VAL 57 Cb -0.03 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 3g8t s VAL 57 CO -0.16 -0.49 0.12 -0.63 0.00 0.00 0.00 175.10 173.93 3g8t s ILE 58 N 4.47 5.02 0.04 2.22 1.01 -0.53 -1.90 121.20 131.53 3g8t s ILE 58 Ca 0.57 0.06 0.02 0.00 0.00 0.00 0.00 60.65 61.29 3g8t s ILE 58 Cb -0.17 -3.32 -0.04 0.00 0.01 0.00 0.00 42.46 38.95 3g8t s ILE 58 CO 0.24 0.38 0.06 -0.36 0.00 0.00 0.00 174.94 175.26 3g8t s PHE 59 N 0.94 3.19 0.33 3.97 0.08 -0.93 -0.98 117.98 124.58 3g8t s PHE 59 Ca 0.06 0.12 0.18 0.00 0.12 0.00 0.00 56.93 57.40 3g8t s PHE 59 Cb -0.13 -1.67 0.87 0.00 -0.57 0.00 0.00 43.02 41.52 3g8t s PHE 59 CO 0.03 0.52 1.86 -0.22 -0.10 0.00 0.00 175.22 177.31 3g8t h LYS 60 N 3.79 0.00 -5.70 0.44 3.64 -1.83 -3.43 116.57 113.48 3g8t h LYS 60 Ca -0.48 0.00 -0.68 0.00 -1.27 0.00 0.00 60.65 58.22 3g8t h LYS 60 Cb 1.17 0.00 -0.30 0.00 -0.41 0.00 0.00 32.23 32.69 3g8t h LYS 60 CO 0.63 0.32 -0.84 -1.21 -2.27 0.00 0.00 179.45 176.07 3g8t s GLU 61 N -4.04 2.88 0.33 1.90 0.41 -1.26 -5.01 118.70 113.91 3g8t s GLU 61 Ca -0.02 -0.82 0.05 0.00 -0.41 0.00 0.00 54.97 53.76 3g8t s GLU 61 Cb 0.13 -2.34 0.57 0.00 -1.78 0.00 0.00 34.13 30.71 3g8t s GLU 61 CO 0.68 0.31 1.83 0.28 -0.49 0.00 0.00 175.26 177.88 3g8t h VAL 62 N 5.24 1.22 -0.78 2.63 2.07 -1.87 -2.31 116.25 122.45 3g8t h VAL 62 Ca -0.28 -0.95 0.18 0.00 0.82 0.00 0.00 66.70 66.47 3g8t h VAL 62 Cb 1.20 1.12 -0.14 0.00 -1.52 0.00 0.00 31.29 31.96 3g8t h VAL 62 CO 0.49 0.31 0.00 -1.28 0.02 0.00 0.00 177.57 177.12 3g8t h SER 63 N 0.43 -0.37 -0.25 0.57 0.87 -1.95 0.31 113.55 113.16 3g8t h SER 63 Ca 0.08 0.21 -0.09 0.00 -1.23 0.00 0.00 61.79 60.75 3g8t h SER 63 Cb 0.45 0.36 -0.02 0.00 -0.44 0.00 0.00 62.40 62.76 3g8t h SER 63 CO 0.03 -0.20 -0.16 0.28 -0.53 0.00 0.00 176.83 176.25 3g8t h SER 64 N 0.09 0.68 -0.39 6.23 0.02 -1.63 -2.62 113.55 115.94 3g8t h SER 64 Ca 0.43 -0.21 -0.11 0.00 -0.84 0.00 0.00 61.79 61.06 3g8t h SER 64 Cb 0.77 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.11 3g8t h SER 64 CO -0.70 0.85 -0.14 0.00 -1.14 0.00 0.00 176.83 175.70 3g8t h ALA 65 N 1.21 0.90 -0.07 3.77 0.00 -0.87 -1.43 119.26 122.77 3g8t h ALA 65 Ca 0.10 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 3g8t h ALA 65 Cb 0.62 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 3g8t h ALA 65 CO 0.04 0.63 -0.02 1.15 0.00 0.00 0.00 179.25 181.06 3g8t h THR 66 N 0.76 1.29 -0.75 0.00 2.02 -0.91 -1.99 112.91 113.33 3g8t h THR 66 Ca 0.12 -0.93 -0.03 0.00 0.77 0.00 0.00 66.41 66.35 3g8t h THR 66 Cb 0.65 1.77 -0.03 0.00 -1.74 0.00 0.00 68.15 68.80 3g8t h THR 66 CO 0.05 0.26 0.37 0.78 0.37 0.00 0.00 175.52 177.34 3g8t h ASN 67 N -0.20 0.98 -0.76 4.18 2.35 -1.46 -1.43 115.58 119.25 3g8t h ASN 67 Ca 0.02 -0.13 -0.05 0.00 -0.55 0.00 0.00 56.30 55.59 3g8t h ASN 67 Cb 0.42 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.50 3g8t h ASN 67 CO 0.01 0.84 0.29 0.00 -1.65 0.00 0.00 177.43 176.91 3g8t h ALA 68 N 1.19 1.07 0.10 -0.83 0.00 -1.27 -1.69 119.26 117.83 3g8t h ALA 68 Ca 0.26 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3g8t h ALA 68 Cb 0.11 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.60 3g8t h ALA 68 CO -0.03 0.65 -0.05 1.25 0.00 0.00 0.00 179.25 181.07 3g8t h LEU 69 N 1.12 -0.12 -0.30 0.00 6.46 -1.02 -1.53 115.31 119.91 3g8t h LEU 69 Ca 0.25 -0.18 0.04 0.00 -0.12 0.00 0.00 57.88 57.87 3g8t h LEU 69 Cb 0.23 0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 40.16 3g8t h LEU 69 CO -0.02 0.11 0.09 0.03 -0.62 0.00 0.00 178.44 178.03 3g8t h ARG 70 N -0.35 0.21 0.26 1.25 3.08 -1.18 -2.96 114.38 114.68 3g8t h ARG 70 Ca -0.01 -0.01 -0.34 0.00 0.07 0.00 0.00 59.98 59.69 3g8t h ARG 70 Cb 0.29 -0.05 0.04 0.00 0.08 0.00 0.00 29.97 30.33 3g8t h ARG 70 CO 0.02 0.14 -1.48 0.77 -1.07 0.00 0.00 179.97 178.35 3g8t h SER 71 N 0.21 0.85 0.07 7.04 0.02 -1.33 -3.35 113.55 117.05 3g8t h SER 71 Ca 0.14 -0.91 0.00 0.00 -0.84 0.00 0.00 61.79 60.18 3g8t h SER 71 Cb 0.12 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.38 3g8t h SER 71 CO -0.15 1.71 -0.13 0.23 -1.14 0.00 0.00 176.83 177.35 3g8t n MET 72 N -3.71 1.44 -1.72 3.45 2.81 -0.58 -4.84 117.12 113.97 3g8t n MET 72 Ca -0.17 -0.94 -0.42 0.00 -1.81 0.00 0.00 57.70 54.36 3g8t n MET 72 Cb 1.11 -1.48 -0.03 0.00 -0.71 0.00 0.00 33.22 32.11 3g8t n MET 72 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 3g8t s GLN 73 N -2.21 4.14 0.00 0.03 2.00 -1.12 -1.69 119.66 120.82 3g8t s GLN 73 Ca 0.30 2.57 0.00 0.00 -2.00 0.00 0.00 55.36 56.23 3g8t s GLN 73 Cb 0.20 -3.99 0.00 0.00 0.80 0.00 0.00 33.01 30.02 3g8t s GLN 73 CO 0.41 -0.91 0.00 0.41 -0.50 0.00 0.00 175.29 174.70 3g8t n GLY 74 N 4.42 1.04 3.74 2.59 0.00 -0.60 -4.97 105.19 111.40 3g8t n GLY 74 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.54 2.81 -0.14 1.61 2.19 -0.68 -4.28 117.98 115.95 3g8t s PHE 75 Ca 0.00 0.67 -0.29 0.00 0.33 0.00 0.00 56.93 57.64 3g8t s PHE 75 Cb 0.00 -4.07 -0.03 0.00 -1.31 0.00 0.00 43.02 37.60 3g8t s PHE 75 CO 0.00 -3.74 1.51 -2.14 1.83 0.00 0.00 175.22 172.68 3g8t s PRO 76 N -0.01 4.09 -0.21 10.12 0.02 -1.26 -1.27 135.00 146.48 3g8t s PRO 76 Ca 0.66 1.86 -0.02 0.00 0.02 0.00 0.00 61.00 63.53 3g8t s PRO 76 Cb -0.48 -3.92 0.06 0.00 0.02 0.00 0.00 34.50 30.18 3g8t s PRO 76 CO 0.43 -0.92 0.00 0.12 -0.33 0.00 0.00 177.00 176.30 3g8t s PHE 77 N 4.16 1.52 -1.26 6.54 5.36 -0.01 -4.77 117.98 129.52 3g8t s PHE 77 Ca 0.66 -1.17 -0.02 0.00 -0.96 0.00 0.00 56.93 55.44 3g8t s PHE 77 Cb -0.27 -1.23 -0.01 0.00 -0.34 0.00 0.00 43.02 41.18 3g8t s PHE 77 CO 0.24 -0.67 0.74 0.66 -1.46 0.00 0.00 175.22 174.74 3g8t n TYR 78 N 4.91 -1.97 -0.87 10.12 4.01 -1.26 -2.09 117.16 130.01 3g8t n TYR 78 Ca -0.10 0.81 0.00 0.00 -0.16 0.00 0.00 57.90 58.45 3g8t n TYR 78 Cb 0.46 -4.34 0.00 0.00 -0.31 0.00 0.00 39.34 35.15 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 -3.04 -2.90 -3.94 7.72 9.92 -1.26 -4.75 116.55 118.31 3g8t n ASP 79 Ca -0.26 0.00 -0.26 0.00 -0.53 0.00 0.00 54.79 53.74 3g8t n ASP 79 Cb 0.67 -2.05 -0.17 0.00 -0.64 0.00 0.00 41.12 38.92 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 -1.00 1.53 0.29 -1.24 1.02 -0.89 -5.07 119.74 114.37 3g8t s LYS 80 Ca 0.00 -0.29 -0.30 0.00 0.02 0.00 0.00 55.97 55.41 3g8t s LYS 80 Cb 0.00 -1.49 -0.11 0.00 -0.52 0.00 0.00 37.83 35.71 3g8t s LYS 80 CO 0.00 -0.18 1.57 -1.25 -0.92 0.00 0.00 175.35 174.57 3g8t s PRO 81 N 1.39 4.14 0.31 -1.68 0.04 -1.26 -0.83 135.00 137.11 3g8t s PRO 81 Ca -0.01 2.54 -0.22 0.00 0.04 0.00 0.00 61.00 63.35 3g8t s PRO 81 Cb -0.14 -3.04 -0.09 0.00 0.04 0.00 0.00 34.50 31.28 3g8t s PRO 81 CO -0.05 -0.60 0.85 -1.64 0.04 0.00 0.00 177.00 175.61 3g8t s MET 82 N -0.52 4.34 -0.25 4.56 -1.94 -0.39 -4.77 119.30 120.33 3g8t s MET 82 Ca 0.62 1.07 0.01 0.00 -1.71 0.00 0.00 55.69 55.68 3g8t s MET 82 Cb -0.47 -2.66 0.05 0.00 2.01 0.00 0.00 34.83 33.76 3g8t s MET 82 CO 0.48 0.24 -0.11 0.50 -0.01 0.00 0.00 175.02 176.11 3g8t s ARG 83 N -2.37 2.49 -0.17 2.03 3.52 -0.83 -1.56 118.95 122.06 3g8t s ARG 83 Ca 0.51 -1.19 -0.01 0.00 -0.13 0.00 0.00 55.73 54.91 3g8t s ARG 83 Cb -0.15 -2.87 -0.00 0.00 -1.56 0.00 0.00 34.95 30.36 3g8t s ARG 83 CO 0.20 -0.48 -0.12 0.42 -0.81 0.00 0.00 175.30 174.51 3g8t s ILE 84 N 1.18 2.92 0.39 4.11 1.01 -1.26 -0.93 121.20 128.62 3g8t s ILE 84 Ca -0.05 -0.67 0.00 0.00 0.00 0.00 0.00 60.65 59.93 3g8t s ILE 84 Cb -0.18 -2.27 0.00 0.00 0.01 0.00 0.00 42.46 40.03 3g8t s ILE 84 CO -0.06 0.49 0.02 0.00 0.00 0.00 0.00 174.94 175.39 3g8t n GLN 85 N 4.24 1.05 -2.99 2.79 6.02 0.27 -4.98 117.38 123.78 3g8t n GLN 85 Ca -0.19 -2.82 -0.27 0.00 -0.01 0.00 0.00 57.00 53.72 3g8t n GLN 85 Cb 0.51 0.72 -0.01 0.00 1.02 0.00 0.00 30.24 32.48 3g8t n GLN 85 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 3g8t s TYR 86 N -2.38 3.52 0.16 1.08 2.02 -1.26 -1.17 117.35 119.32 3g8t s TYR 86 Ca 0.02 0.65 -0.31 0.00 -0.37 0.00 0.00 57.07 57.06 3g8t s TYR 86 Cb -0.00 -2.15 -0.09 0.00 -0.40 0.00 0.00 41.96 39.32 3g8t s TYR 86 CO 0.01 -0.07 1.39 0.00 -1.57 0.00 0.00 175.55 175.31 3g8t s ALA 87 N -2.49 3.60 0.29 3.71 0.00 -0.24 -4.36 121.76 122.26 3g8t s ALA 87 Ca 0.45 1.17 -0.02 0.00 0.00 0.00 0.00 51.96 53.55 3g8t s ALA 87 Cb -0.10 -3.53 0.43 0.00 0.00 0.00 0.00 23.12 19.92 3g8t s ALA 87 CO 0.39 -0.62 1.93 0.87 0.00 0.00 0.00 175.76 178.33 3g8t h LYS 88 N 6.19 1.11 -4.99 0.00 6.56 -1.96 -3.44 116.57 120.05 3g8t h LYS 88 Ca -0.43 -0.07 -0.31 0.00 -1.06 0.00 0.00 60.65 58.78 3g8t h LYS 88 Cb 1.21 -0.25 -0.15 0.00 -0.57 0.00 0.00 32.23 32.47 3g8t h LYS 88 CO 0.83 0.74 -0.72 0.95 -2.06 0.00 0.00 179.45 179.19 3g8t s THR 89 N -5.97 1.05 0.88 -0.16 -4.23 -1.26 -4.99 115.64 100.96 3g8t s THR 89 Ca -0.12 -1.94 -0.12 0.00 -1.18 0.00 0.00 61.69 58.34 3g8t s THR 89 Cb 0.19 -1.71 0.11 0.00 1.34 0.00 0.00 72.50 72.43 3g8t s THR 89 CO 0.80 -0.72 1.05 0.47 -0.54 0.00 0.00 174.62 175.69 3g8t n ASP 90 N 0.01 0.21 -4.95 3.99 9.92 -1.26 -4.97 116.55 119.50 3g8t n ASP 90 Ca -0.12 0.47 -0.24 0.00 -0.53 0.00 0.00 54.79 54.37 3g8t n ASP 90 Cb 0.60 -1.45 -0.02 0.00 -0.64 0.00 0.00 41.12 39.61 3g8t n ASP 90 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 3g8t s SER 91 N -2.36 6.33 0.18 -2.24 0.01 -1.26 -4.90 113.70 109.46 3g8t s SER 91 Ca 0.68 0.25 -0.12 0.00 1.31 0.00 0.00 55.95 58.06 3g8t s SER 91 Cb -0.25 -1.94 0.09 0.00 0.21 0.00 0.00 66.02 64.13 3g8t s SER 91 CO 0.57 -0.11 1.78 0.44 0.41 0.00 0.00 173.24 176.32 3g8t h ASP 92 N 1.32 0.79 0.22 2.44 3.32 -1.96 0.84 116.42 123.40 3g8t h ASP 92 Ca -0.50 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.43 3g8t h ASP 92 Cb 1.22 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.56 3g8t h ASP 92 CO 0.63 0.68 0.00 0.00 -1.72 0.00 0.00 179.24 178.83 3g8t n ILE 93 N -4.53 0.77 -0.10 0.35 3.06 -1.26 0.36 119.36 118.01 3g8t n ILE 93 Ca 0.04 0.19 -0.21 0.00 -2.50 0.00 0.00 62.75 60.27 3g8t n ILE 93 Cb 0.11 -1.01 -0.07 0.00 0.54 0.00 0.00 39.64 39.21 3g8t n ILE 93 CO 0.00 0.00 0.00 -0.38 -2.50 0.00 0.00 176.55 173.67 3g8t n ILE 94 N -1.30 1.09 -0.19 9.51 2.08 -0.56 -4.73 119.36 125.26 3g8t n ILE 94 Ca 0.05 -0.27 -0.02 0.00 0.56 0.00 0.00 62.75 63.07 3g8t n ILE 94 Cb 0.09 -1.77 0.20 0.00 -0.75 0.00 0.00 39.64 37.41 3g8t n ILE 94 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3g8t h ALA 95 N -0.71 1.31 -0.03 -1.39 0.00 0.11 -3.49 119.26 115.05 3g8t h ALA 95 Ca -0.50 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.27 3g8t h ALA 95 Cb 1.44 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3g8t h ALA 95 CO -0.30 0.54 0.00 0.36 0.00 0.00 0.00 179.25 179.84