#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g8s h THR 6 N 0.00 0.47 -3.39 6.31 2.02 -1.92 -3.40 112.91 112.99 3g8s h THR 6 Ca 0.00 -0.11 -0.52 0.00 0.77 0.00 0.00 66.41 66.54 3g8s h THR 6 Cb 0.00 0.11 0.03 0.00 -1.74 0.00 0.00 68.15 66.55 3g8s h THR 6 CO 0.00 0.06 0.62 -0.13 0.37 0.00 0.00 175.52 176.44 3g8s s ARG 7 N -5.96 4.42 0.31 6.66 3.00 -1.26 -4.98 118.95 121.14 3g8s s ARG 7 Ca -0.12 1.98 -0.29 0.00 0.00 0.00 0.00 55.73 57.29 3g8s s ARG 7 Cb 0.24 -3.22 -0.11 0.00 0.00 0.00 0.00 34.95 31.86 3g8s s ARG 7 CO 0.77 -0.20 1.47 -2.14 0.00 0.00 0.00 175.30 175.19 3g8s s PRO 8 N -0.04 4.21 0.04 3.54 0.02 -1.26 -4.81 135.00 136.70 3g8s s PRO 8 Ca 0.56 2.43 0.02 0.00 0.02 0.00 0.00 61.00 64.03 3g8s s PRO 8 Cb -0.35 -3.04 -0.02 0.00 0.02 0.00 0.00 34.50 31.10 3g8s s PRO 8 CO 0.37 -0.46 -0.08 1.21 -0.33 0.00 0.00 177.00 177.70 3g8s s ASN 9 N 0.11 0.91 0.55 2.53 3.84 -1.26 -5.03 114.94 116.59 3g8s s ASN 9 Ca 0.57 -0.53 0.27 0.00 0.21 0.00 0.00 52.86 53.38 3g8s s ASN 9 Cb -0.44 0.02 1.45 0.00 -0.55 0.00 0.00 41.25 41.73 3g8s s ASN 9 CO 0.51 -0.18 1.97 0.45 -2.79 0.00 0.00 177.10 177.07 3g8s h HIS 10 N 4.57 0.00 -3.06 0.43 3.86 -1.91 -3.42 115.15 115.63 3g8s h HIS 10 Ca -0.36 0.00 -0.67 0.00 -1.16 0.00 0.00 60.37 58.18 3g8s h HIS 10 Cb 1.20 0.00 -0.12 0.00 1.06 0.00 0.00 27.41 29.55 3g8s h HIS 10 CO 0.63 0.00 -0.56 0.99 0.86 0.00 0.00 177.93 179.85 3g8s s THR 11 N -4.89 4.79 -0.11 2.45 2.01 -1.26 -0.94 115.64 117.69 3g8s s THR 11 Ca -0.05 -0.06 -0.04 0.00 0.31 0.00 0.00 61.69 61.86 3g8s s THR 11 Cb 0.19 -3.06 -0.03 0.00 0.01 0.00 0.00 72.50 69.60 3g8s s THR 11 CO 0.68 0.60 0.02 0.27 -0.69 0.00 0.00 174.62 175.50 3g8s s ILE 12 N -0.84 4.47 -0.49 1.82 -4.36 -0.12 -1.29 121.20 120.39 3g8s s ILE 12 Ca 0.13 -0.17 -0.16 0.00 -0.26 0.00 0.00 60.65 60.19 3g8s s ILE 12 Cb -0.12 -2.92 0.09 0.00 1.25 0.00 0.00 42.46 40.76 3g8s s ILE 12 CO 0.03 0.57 0.44 -0.47 0.24 0.00 0.00 174.94 175.75 3g8s s TYR 13 N -0.55 3.22 -0.21 1.37 5.04 0.34 -2.17 117.35 124.40 3g8s s TYR 13 Ca 0.10 -0.98 -0.13 0.00 -2.44 0.00 0.00 57.07 53.62 3g8s s TYR 13 Cb -0.12 -3.36 -0.05 0.00 0.35 0.00 0.00 41.96 38.79 3g8s s TYR 13 CO 0.02 -0.88 0.25 0.42 -1.34 0.00 0.00 175.55 174.03 3g8s s ILE 14 N 1.73 5.31 0.47 3.14 1.01 -0.45 -1.33 121.20 131.08 3g8s s ILE 14 Ca 0.05 0.40 0.03 0.00 0.00 0.00 0.00 60.65 61.13 3g8s s ILE 14 Cb -0.25 -3.59 -0.01 0.00 0.01 0.00 0.00 42.46 38.62 3g8s s ILE 14 CO 0.06 0.34 0.09 0.54 0.00 0.00 0.00 174.94 175.97 3g8s s ASN 15 N 0.86 3.43 -1.14 3.58 4.22 -0.92 -0.18 114.94 124.79 3g8s s ASN 15 Ca 0.13 -1.73 -0.02 0.00 -2.14 0.00 0.00 52.86 49.10 3g8s s ASN 15 Cb -0.13 0.66 0.00 0.00 1.28 0.00 0.00 41.25 43.05 3g8s s ASN 15 CO 0.05 -0.98 0.96 -3.20 -2.04 0.00 0.00 177.10 171.89 3g8s n ASN 16 N -1.42 -2.82 -4.91 3.54 5.15 -0.92 -2.78 115.26 111.09 3g8s n ASN 16 Ca -0.13 -0.56 -0.29 0.00 -0.60 0.00 0.00 54.58 53.00 3g8s n ASN 16 Cb 0.65 -4.77 -0.04 0.00 -0.53 0.00 0.00 39.78 35.10 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 -6.19 4.22 -0.69 1.20 1.43 -0.43 -4.57 118.68 113.65 3g8s s LEU 17 Ca 0.11 0.51 -0.26 0.00 -1.03 0.00 0.00 54.13 53.46 3g8s s LEU 17 Cb -0.05 -3.27 -0.07 0.00 0.03 0.00 0.00 46.19 42.84 3g8s s LEU 17 CO 0.68 -0.02 2.14 0.21 0.23 0.00 0.00 176.35 179.59 3g8s s ASN 18 N -2.87 4.71 0.62 2.29 3.84 -1.26 -4.52 114.94 117.75 3g8s s ASN 18 Ca 0.40 0.21 0.22 0.00 0.21 0.00 0.00 52.86 53.90 3g8s s ASN 18 Cb -0.11 -2.53 1.18 0.00 -0.55 0.00 0.00 41.25 39.23 3g8s s ASN 18 CO 0.27 -2.93 1.65 -0.33 -2.79 0.00 0.00 177.10 172.97 3g8s h GLU 19 N 14.75 0.00 0.00 0.43 5.08 -1.94 -2.44 114.58 130.46 3g8s h GLU 19 Ca -0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 3g8s h GLU 19 Cb 1.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.36 3g8s h GLU 19 CO 1.15 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 180.79 3g8s n LYS 20 N -2.69 0.22 -3.29 2.33 5.02 -1.26 -4.80 118.16 113.69 3g8s n LYS 20 Ca -0.01 0.13 -0.36 0.00 -2.02 0.00 0.00 58.31 56.05 3g8s n LYS 20 Cb 0.50 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.95 3g8s n LYS 20 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3g8s s ILE 21 N -2.62 4.78 0.61 -0.18 -1.09 -0.92 -5.06 121.20 116.72 3g8s s ILE 21 Ca 0.16 0.95 -0.17 0.00 -2.23 0.00 0.00 60.65 59.35 3g8s s ILE 21 Cb 0.12 -3.77 -0.02 0.00 -1.58 0.00 0.00 42.46 37.21 3g8s s ILE 21 CO 0.28 0.24 1.15 -0.54 -1.23 0.00 0.00 174.94 174.83 3g8s s LYS 22 N -1.96 2.97 0.10 2.79 1.02 -1.26 -4.88 119.74 118.52 3g8s s LYS 22 Ca 0.39 1.61 -0.24 0.00 0.02 0.00 0.00 55.97 57.75 3g8s s LYS 22 Cb -0.15 -1.95 -0.10 0.00 -0.52 0.00 0.00 37.83 35.10 3g8s s LYS 22 CO 0.20 -1.16 1.69 -0.22 -0.92 0.00 0.00 175.35 174.94 3g8s h LYS 23 N 0.61 -0.20 -0.22 1.68 3.64 -1.97 -0.91 116.57 119.20 3g8s h LYS 23 Ca -0.49 0.01 -0.19 0.00 -1.27 0.00 0.00 60.65 58.71 3g8s h LYS 23 Cb 1.27 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.14 3g8s h LYS 23 CO 0.55 -0.13 -0.63 0.22 -2.27 0.00 0.00 179.45 177.18 3g8s h ASP 24 N -0.21 0.88 -0.37 4.20 -0.00 -1.97 -1.96 116.42 117.00 3g8s h ASP 24 Ca 0.02 -0.51 -0.04 0.00 -0.00 0.00 0.00 57.03 56.50 3g8s h ASP 24 Cb 0.23 -0.26 -0.02 0.00 -0.00 0.00 0.00 39.33 39.28 3g8s h ASP 24 CO -0.07 1.29 0.11 -0.08 -0.00 0.00 0.00 179.24 180.49 3g8s h GLU 25 N 0.57 0.65 0.36 0.28 4.81 -1.93 -2.31 114.58 117.00 3g8s h GLU 25 Ca -0.01 -0.12 -0.02 0.00 -0.13 0.00 0.00 59.36 59.09 3g8s h GLU 25 Cb 1.24 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.51 3g8s h GLU 25 CO 0.13 0.60 -0.17 1.25 -0.73 0.00 0.00 179.01 180.08 3g8s h LEU 26 N 0.64 -0.41 -0.93 1.64 5.85 -1.07 -2.80 115.31 118.22 3g8s h LEU 26 Ca 0.15 -0.14 0.24 0.00 0.84 0.00 0.00 57.88 58.97 3g8s h LEU 26 Cb 0.24 0.11 -0.13 0.00 0.37 0.00 0.00 40.66 41.25 3g8s h LEU 26 CO -0.00 0.02 0.43 0.11 -0.34 0.00 0.00 178.44 178.66 3g8s h LYS 27 N -0.95 0.38 -0.24 1.25 1.57 -1.29 0.41 116.57 117.70 3g8s h LYS 27 Ca -0.05 -0.02 -0.18 0.00 -1.87 0.00 0.00 60.65 58.53 3g8s h LYS 27 Cb 0.53 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.76 3g8s h LYS 27 CO 0.08 0.25 -0.56 0.87 -0.57 0.00 0.00 179.45 179.52 3g8s h LYS 28 N 0.39 0.80 0.00 3.15 1.57 -1.50 -2.50 116.57 118.48 3g8s h LYS 28 Ca 0.60 -0.54 -0.07 0.00 -1.87 0.00 0.00 60.65 58.77 3g8s h LYS 28 Cb 1.20 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.58 3g8s h LYS 28 CO -0.55 1.17 -0.32 0.77 -0.57 0.00 0.00 179.45 179.94 3g8s h SER 29 N 0.55 0.00 0.90 0.86 0.02 -0.90 -1.08 113.55 113.90 3g8s h SER 29 Ca -0.00 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.81 3g8s h SER 29 Cb 1.17 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.69 3g8s h SER 29 CO 0.12 0.32 -0.67 -0.07 -1.14 0.00 0.00 176.83 175.40 3g8s h LEU 30 N 0.00 0.00 -0.21 5.07 3.38 -0.94 -3.17 115.31 119.44 3g8s h LEU 30 Ca -0.00 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.75 3g8s h LEU 30 Cb 0.69 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.45 3g8s h LEU 30 CO 0.04 0.67 -0.75 -0.74 0.09 0.00 0.00 178.44 177.75 3g8s h HIS 31 N 0.00 1.02 -1.07 1.13 2.76 -0.94 -2.26 115.15 115.79 3g8s h HIS 31 Ca -0.01 -0.44 0.30 0.00 -2.20 0.00 0.00 60.37 58.02 3g8s h HIS 31 Cb 1.30 -0.16 -0.06 0.00 1.55 0.00 0.00 27.41 30.04 3g8s h HIS 31 CO 0.00 1.27 0.75 0.00 -1.30 0.00 0.00 177.93 178.64 3g8s h ALA 32 N 0.62 2.77 0.00 5.26 0.00 -1.19 -2.03 119.26 124.69 3g8s h ALA 32 Ca -0.04 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.56 3g8s h ALA 32 Cb 1.37 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.18 3g8s h ALA 32 CO 0.15 -1.11 -1.88 -0.89 0.00 0.00 0.00 179.25 175.52 3g8s n ILE 33 N -4.34 1.52 1.29 0.00 5.41 -1.18 -4.61 119.36 117.44 3g8s n ILE 33 Ca 0.24 -0.18 0.14 0.00 1.00 0.00 0.00 62.75 63.95 3g8s n ILE 33 Cb 1.06 -2.05 0.53 0.00 -0.71 0.00 0.00 39.64 38.48 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 -4.35 0.00 0.20 1.39 3.72 -0.86 -3.81 117.46 113.75 3g8s n PHE 34 Ca -0.39 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.05 3g8s n PHE 34 Cb 0.73 -0.22 0.42 0.00 -0.94 0.00 0.00 39.48 39.48 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 0.52 0.00 0.00 4.37 4.64 -1.59 -2.62 113.55 118.87 3g8s h SER 35 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3g8s h SER 35 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 3g8s h SER 35 CO 0.00 0.32 0.00 -2.11 -0.87 0.00 0.00 176.83 174.17 3g8s n ARG 36 N -3.99 0.82 -0.00 4.77 -4.01 -1.25 -2.83 116.66 110.17 3g8s n ARG 36 Ca -0.02 0.00 0.07 0.00 -1.04 0.00 0.00 57.85 56.86 3g8s n ARG 36 Cb 0.38 -1.04 -0.09 0.00 -3.04 0.00 0.00 32.46 28.67 3g8s n ARG 36 CO 0.00 0.00 0.00 1.19 -3.04 0.00 0.00 177.63 175.78 3g8s n PHE 37 N -0.54 0.00 -1.64 2.89 3.72 -0.98 -5.10 117.46 115.81 3g8s n PHE 37 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 3g8s n PHE 37 Cb 0.01 -0.08 0.00 0.00 -0.94 0.00 0.00 39.48 38.47 3g8s n PHE 37 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3g8s n GLY 38 N 1.41 -0.34 3.66 1.37 0.00 -1.13 -4.38 105.19 105.78 3g8s n GLY 38 Ca 0.02 -1.58 -0.43 0.00 0.00 0.00 0.00 46.02 44.03 3g8s n GLY 38 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3g8s s GLN 39 N -1.91 4.25 -0.19 1.61 0.74 -1.26 -4.68 119.66 118.22 3g8s s GLN 39 Ca 0.00 1.66 -0.19 0.00 0.05 0.00 0.00 55.36 56.89 3g8s s GLN 39 Cb 0.00 -3.74 -0.03 0.00 1.10 0.00 0.00 33.01 30.34 3g8s s GLN 39 CO 0.00 -0.67 0.53 0.42 -0.55 0.00 0.00 175.29 175.02 3g8s s ILE 40 N 3.32 5.10 0.12 -2.34 1.01 -1.26 -1.34 121.20 125.81 3g8s s ILE 40 Ca 0.55 0.99 -0.11 0.00 0.00 0.00 0.00 60.65 62.08 3g8s s ILE 40 Cb -0.22 -3.86 -0.12 0.00 0.01 0.00 0.00 42.46 38.27 3g8s s ILE 40 CO 0.16 0.18 1.37 -0.07 0.00 0.00 0.00 174.94 176.57 3g8s h LEU 41 N 7.88 0.94 0.00 2.97 3.38 -0.49 -3.48 115.31 126.51 3g8s h LEU 41 Ca -0.34 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 57.07 3g8s h LEU 41 Cb 1.15 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.63 3g8s h LEU 41 CO 0.75 1.36 0.00 -0.67 0.09 0.00 0.00 178.44 179.96 3g8s n ASP 42 N -3.97 0.00 -4.50 -0.43 2.03 -1.23 -5.04 116.55 103.41 3g8s n ASP 42 Ca -0.06 0.00 -0.36 0.00 0.52 0.00 0.00 54.79 54.89 3g8s n ASP 42 Cb 0.69 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 40.97 3g8s n ASP 42 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3g8s s ILE 43 N -2.00 4.53 -0.24 5.18 1.01 -1.26 -2.04 121.20 126.37 3g8s s ILE 43 Ca 0.00 -0.10 -0.09 0.00 0.00 0.00 0.00 60.65 60.46 3g8s s ILE 43 Cb 0.00 -3.11 -0.04 0.00 0.01 0.00 0.00 42.46 39.32 3g8s s ILE 43 CO 0.00 0.34 0.11 -0.76 0.00 0.00 0.00 174.94 174.64 3g8s s LEU 44 N 1.44 3.77 -0.02 2.97 1.43 0.22 -4.95 118.68 123.55 3g8s s LEU 44 Ca 0.06 -0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.11 3g8s s LEU 44 Cb -0.15 -2.01 0.03 0.00 0.03 0.00 0.00 46.19 44.09 3g8s s LEU 44 CO 0.04 0.02 0.02 -0.69 0.23 0.00 0.00 176.35 175.98 3g8s s VAL 45 N 1.32 -0.03 0.02 -1.59 1.01 -1.26 -0.63 120.40 119.24 3g8s s VAL 45 Ca 0.06 0.19 0.03 0.00 0.00 0.00 0.00 61.98 62.26 3g8s s VAL 45 Cb -0.15 -0.10 -0.01 0.00 0.00 0.00 0.00 36.38 36.12 3g8s s VAL 45 CO 0.05 0.09 -0.10 -0.94 0.00 0.00 0.00 175.10 174.21 3g8s s SER 46 N 0.99 1.11 -0.24 3.32 1.04 -1.26 -5.06 113.70 113.59 3g8s s SER 46 Ca -0.08 -0.33 0.14 0.00 0.48 0.00 0.00 55.95 56.16 3g8s s SER 46 Cb -0.12 -0.07 0.81 0.00 0.10 0.00 0.00 66.02 66.74 3g8s s SER 46 CO -0.03 0.01 1.74 0.54 0.98 0.00 0.00 173.24 176.49 3g8s n ARG 47 N 2.27 4.76 -0.83 4.02 1.74 -1.26 -3.52 116.66 123.83 3g8s n ARG 47 Ca -0.17 -3.16 -0.29 0.00 -0.77 0.00 0.00 57.85 53.47 3g8s n ARG 47 Cb 0.56 -2.25 0.21 0.00 -1.02 0.00 0.00 32.46 29.95 3g8s n ARG 47 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3g8s s SER 48 N -0.86 1.95 0.14 0.55 1.04 -1.26 -4.56 113.70 110.69 3g8s s SER 48 Ca 0.54 1.48 -0.20 0.00 0.48 0.00 0.00 55.95 58.26 3g8s s SER 48 Cb 0.42 -2.18 0.01 0.00 0.10 0.00 0.00 66.02 64.36 3g8s s SER 48 CO 0.15 -3.59 1.68 0.25 0.98 0.00 0.00 173.24 172.71 3g8s h LEU 49 N -2.21 -0.32 -0.03 2.42 5.85 -1.97 0.06 115.31 119.11 3g8s h LEU 49 Ca -0.56 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.24 3g8s h LEU 49 Cb 1.32 0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.54 3g8s h LEU 49 CO 0.52 -0.12 0.00 1.17 -0.34 0.00 0.00 178.44 179.67 3g8s n LYS 50 N -5.26 0.01 0.00 1.25 4.81 -1.26 -3.93 118.16 113.78 3g8s n LYS 50 Ca -0.01 0.18 0.00 0.00 -0.87 0.00 0.00 58.31 57.61 3g8s n LYS 50 Cb 0.18 -1.52 0.00 0.00 0.02 0.00 0.00 35.03 33.70 3g8s n LYS 50 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 3g8s n MET 51 N -1.55 0.48 -2.44 1.64 2.81 -0.83 -5.07 117.12 112.16 3g8s n MET 51 Ca 0.05 -0.20 -0.37 0.00 -1.81 0.00 0.00 57.70 55.37 3g8s n MET 51 Cb 0.23 -0.65 -0.03 0.00 -0.71 0.00 0.00 33.22 32.06 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 -0.13 4.00 0.00 0.03 1.70 -0.05 -3.05 118.95 121.45 3g8s s ARG 52 Ca 0.00 1.60 0.00 0.00 -0.47 0.00 0.00 55.73 56.86 3g8s s ARG 52 Cb 0.00 -2.47 0.00 0.00 -0.57 0.00 0.00 34.95 31.91 3g8s s ARG 52 CO 0.00 -0.30 0.00 0.41 -1.08 0.00 0.00 175.30 174.33 3g8s n GLY 53 N 0.34 0.61 3.55 3.88 0.00 -1.26 -4.94 105.19 107.38 3g8s n GLY 53 Ca 0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.15 1.92 -0.02 1.61 -0.21 -1.17 -1.31 119.66 120.34 3g8s s GLN 54 Ca 0.00 -1.66 -0.21 0.00 0.02 0.00 0.00 55.36 53.52 3g8s s GLN 54 Cb 0.00 -1.91 0.04 0.00 1.00 0.00 0.00 33.01 32.14 3g8s s GLN 54 CO 0.00 0.32 0.45 0.00 -2.12 0.00 0.00 175.29 173.93 3g8s s ALA 55 N -2.45 -1.14 -0.14 6.09 0.00 0.75 -4.61 121.76 120.26 3g8s s ALA 55 Ca 0.31 0.66 0.01 0.00 0.00 0.00 0.00 51.96 52.95 3g8s s ALA 55 Cb -0.05 0.08 0.02 0.00 0.00 0.00 0.00 23.12 23.16 3g8s s ALA 55 CO 0.17 -0.32 -0.17 -0.06 0.00 0.00 0.00 175.76 175.38 3g8s s PHE 56 N -1.38 2.31 -0.23 0.00 0.40 0.19 -1.34 117.98 117.93 3g8s s PHE 56 Ca -0.12 -1.20 -0.03 0.00 -0.60 0.00 0.00 56.93 54.98 3g8s s PHE 56 Cb -0.03 -1.63 0.01 0.00 0.51 0.00 0.00 43.02 41.87 3g8s s PHE 56 CO 0.06 -0.60 -0.06 0.08 0.70 0.00 0.00 175.22 175.40 3g8s s VAL 57 N 1.10 3.12 -0.36 -0.44 1.01 -0.92 0.69 120.40 124.60 3g8s s VAL 57 Ca -0.02 -0.70 -0.12 0.00 0.00 0.00 0.00 61.98 61.13 3g8s s VAL 57 Cb -0.14 -2.47 0.01 0.00 0.00 0.00 0.00 36.38 33.78 3g8s s VAL 57 CO -0.05 0.35 0.22 -0.63 0.00 0.00 0.00 175.10 174.99 3g8s s ILE 58 N 1.42 4.80 0.12 2.22 1.01 -0.87 -0.94 121.20 128.96 3g8s s ILE 58 Ca 0.04 -0.64 -0.08 0.00 0.00 0.00 0.00 60.65 59.97 3g8s s ILE 58 Cb -0.15 -3.60 -0.06 0.00 0.01 0.00 0.00 42.46 38.66 3g8s s ILE 58 CO -0.04 -0.15 0.41 -0.36 0.00 0.00 0.00 174.94 174.80 3g8s s PHE 59 N 1.61 3.53 0.24 3.97 0.08 -0.11 0.29 117.98 127.59 3g8s s PHE 59 Ca 0.04 0.73 -0.05 0.00 0.12 0.00 0.00 56.93 57.78 3g8s s PHE 59 Cb -0.18 -2.13 0.25 0.00 -0.57 0.00 0.00 43.02 40.39 3g8s s PHE 59 CO 0.08 0.46 1.75 -0.22 -0.10 0.00 0.00 175.22 177.19 3g8s h LYS 60 N 3.29 0.95 -6.17 0.44 3.64 -1.50 -3.43 116.57 113.79 3g8s h LYS 60 Ca -0.48 -0.23 -0.69 0.00 -1.27 0.00 0.00 60.65 57.98 3g8s h LYS 60 Cb 1.18 -0.12 -0.23 0.00 -0.41 0.00 0.00 32.23 32.65 3g8s h LYS 60 CO 0.69 0.88 -0.76 -1.21 -2.27 0.00 0.00 179.45 176.77 3g8s s GLU 61 N -5.16 2.65 0.42 1.90 0.41 -1.26 -5.01 118.70 112.64 3g8s s GLU 61 Ca -0.11 -0.68 0.08 0.00 -0.41 0.00 0.00 54.97 53.86 3g8s s GLU 61 Cb 0.15 -2.43 0.89 0.00 -1.78 0.00 0.00 34.13 30.96 3g8s s GLU 61 CO 0.83 0.57 2.05 0.28 -0.49 0.00 0.00 175.26 178.50 3g8s h VAL 62 N 4.48 1.07 -0.96 2.63 2.07 -1.90 -1.85 116.25 121.80 3g8s h VAL 62 Ca -0.44 -0.18 0.18 0.00 0.82 0.00 0.00 66.70 67.09 3g8s h VAL 62 Cb 1.16 0.50 -0.11 0.00 -1.52 0.00 0.00 31.29 31.33 3g8s h VAL 62 CO 0.51 0.10 0.55 0.28 0.02 0.00 0.00 177.57 179.03 3g8s h SER 63 N 0.53 0.68 -0.41 0.57 0.02 -1.95 0.19 113.55 113.17 3g8s h SER 63 Ca 0.17 0.10 -0.10 0.00 -0.84 0.00 0.00 61.79 61.12 3g8s h SER 63 Cb 0.03 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 3g8s h SER 63 CO -0.04 0.23 -0.12 0.28 -1.14 0.00 0.00 176.83 176.04 3g8s h SER 64 N 0.69 0.87 0.51 3.07 0.02 -1.54 -2.72 113.55 114.46 3g8s h SER 64 Ca 0.55 -0.28 -0.24 0.00 -0.84 0.00 0.00 61.79 60.99 3g8s h SER 64 Cb 0.86 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 63.16 3g8s h SER 64 CO -0.39 1.01 -1.04 0.00 -1.14 0.00 0.00 176.83 175.26 3g8s h ALA 65 N 1.07 0.30 -0.55 3.77 0.00 -1.02 -0.70 119.26 122.13 3g8s h ALA 65 Ca 0.13 -0.78 -0.03 0.00 0.00 0.00 0.00 54.91 54.23 3g8s h ALA 65 Cb 0.64 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3g8s h ALA 65 CO 0.04 0.90 0.24 1.15 0.00 0.00 0.00 179.25 181.59 3g8s h THR 66 N 0.14 1.21 0.01 0.00 2.02 -0.72 -2.44 112.91 113.13 3g8s h THR 66 Ca -0.09 -0.63 -0.27 0.00 0.77 0.00 0.00 66.41 66.20 3g8s h THR 66 Cb 1.71 0.61 0.02 0.00 -1.74 0.00 0.00 68.15 68.75 3g8s h THR 66 CO 0.17 0.24 -1.05 0.78 0.37 0.00 0.00 175.52 176.03 3g8s h ASN 67 N 0.74 0.91 -0.74 4.18 4.21 -1.50 -3.12 115.58 120.27 3g8s h ASN 67 Ca 0.19 -0.75 0.01 0.00 1.21 0.00 0.00 56.30 56.95 3g8s h ASN 67 Cb 0.16 -0.28 -0.04 0.00 -1.12 0.00 0.00 38.32 37.04 3g8s h ASN 67 CO -0.02 1.54 0.48 0.00 -1.29 0.00 0.00 177.43 178.14 3g8s h ALA 68 N 0.39 0.94 0.40 -0.83 0.00 -1.12 -0.73 119.26 118.29 3g8s h ALA 68 Ca -0.13 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 3g8s h ALA 68 Cb 1.71 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 3g8s h ALA 68 CO 0.21 0.37 -0.30 1.25 0.00 0.00 0.00 179.25 180.77 3g8s h LEU 69 N 1.00 -0.79 -0.33 0.00 6.46 -1.52 -2.79 115.31 117.34 3g8s h LEU 69 Ca 0.27 0.06 -0.20 0.00 -0.12 0.00 0.00 57.88 57.89 3g8s h LEU 69 Cb -0.11 0.25 -0.00 0.00 -0.73 0.00 0.00 40.66 40.07 3g8s h LEU 69 CO -0.06 -0.45 -0.78 0.03 -0.62 0.00 0.00 178.44 176.56 3g8s h ARG 70 N -0.70 0.44 0.00 1.25 -0.00 -1.43 -2.10 114.38 111.85 3g8s h ARG 70 Ca -0.04 -0.39 -0.16 0.00 -0.50 0.00 0.00 59.98 58.90 3g8s h ARG 70 Cb 0.60 0.09 -0.02 0.00 0.00 0.00 0.00 29.97 30.63 3g8s h ARG 70 CO -0.00 1.03 -0.76 0.77 0.00 0.00 0.00 179.97 181.01 3g8s h SER 71 N 0.29 0.00 -0.19 7.04 0.02 -1.23 -3.35 113.55 116.13 3g8s h SER 71 Ca -0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 3g8s h SER 71 Cb 1.38 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.92 3g8s h SER 71 CO 0.14 0.76 0.00 0.23 -1.14 0.00 0.00 176.83 176.82 3g8s n MET 72 N -3.48 2.36 -1.70 3.45 2.81 -1.05 -4.98 117.12 114.54 3g8s n MET 72 Ca -0.00 -1.69 -0.44 0.00 -1.81 0.00 0.00 57.70 53.77 3g8s n MET 72 Cb 0.78 -1.17 -0.02 0.00 -0.71 0.00 0.00 33.22 32.09 3g8s n MET 72 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 3g8s n GLN 73 N 0.22 2.30 -0.99 0.03 -0.06 -0.79 -2.70 117.38 115.39 3g8s n GLN 73 Ca 0.07 0.82 0.00 0.00 -2.00 0.00 0.00 57.00 55.89 3g8s n GLN 73 Cb 0.33 -2.53 0.00 0.00 -4.06 0.00 0.00 30.24 23.98 3g8s n GLN 73 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3g8s n GLY 74 N 2.26 0.02 3.66 1.69 0.00 -1.17 -4.93 105.19 106.73 3g8s n GLY 74 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.04 2.49 0.24 1.61 2.19 -1.10 -4.13 117.98 118.25 3g8s s PHE 75 Ca 0.00 0.66 -0.30 0.00 0.33 0.00 0.00 56.93 57.61 3g8s s PHE 75 Cb 0.00 -3.69 -0.14 0.00 -1.31 0.00 0.00 43.02 37.88 3g8s s PHE 75 CO 0.00 -2.65 1.19 -2.30 1.83 0.00 0.00 175.22 173.29 3g8s n PRO 76 N 6.73 1.54 -3.30 10.12 -0.02 -1.26 -2.09 135.00 146.72 3g8s n PRO 76 Ca 0.15 0.54 -0.00 0.00 -2.02 0.00 0.00 63.50 62.17 3g8s n PRO 76 Cb 0.44 -2.05 -0.03 0.00 -0.02 0.00 0.00 33.50 31.83 3g8s n PRO 76 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3g8s s PHE 77 N -0.50 -1.35 -1.30 6.00 5.36 0.13 -4.87 117.98 121.45 3g8s s PHE 77 Ca 0.66 1.61 -0.04 0.00 -0.96 0.00 0.00 56.93 58.19 3g8s s PHE 77 Cb -0.73 0.47 0.01 0.00 -0.34 0.00 0.00 43.02 42.43 3g8s s PHE 77 CO 0.55 -0.79 1.01 0.66 -1.46 0.00 0.00 175.22 175.19 3g8s n TYR 78 N 5.42 -2.37 -0.91 10.12 4.01 -1.26 -2.08 117.16 130.09 3g8s n TYR 78 Ca -0.04 0.95 0.00 0.00 -0.16 0.00 0.00 57.90 58.65 3g8s n TYR 78 Cb 0.50 -4.87 0.00 0.00 -0.31 0.00 0.00 39.34 34.67 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 -3.06 -2.92 -3.95 7.72 8.00 -1.26 -4.67 116.55 116.41 3g8s n ASP 79 Ca -0.17 0.00 -0.26 0.00 0.71 0.00 0.00 54.79 55.06 3g8s n ASP 79 Cb 0.62 -1.78 -0.17 0.00 -0.02 0.00 0.00 41.12 39.78 3g8s n ASP 79 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3g8s s LYS 80 N -0.85 1.66 0.18 -1.24 1.02 -0.88 -5.07 119.74 114.56 3g8s s LYS 80 Ca 0.00 -0.33 -0.32 0.00 0.02 0.00 0.00 55.97 55.34 3g8s s LYS 80 Cb 0.00 -1.59 -0.11 0.00 -0.52 0.00 0.00 37.83 35.61 3g8s s LYS 80 CO 0.00 -0.18 1.61 -1.25 -0.92 0.00 0.00 175.35 174.62 3g8s s PRO 81 N 1.37 4.19 1.20 -1.68 0.04 -1.26 0.20 135.00 139.05 3g8s s PRO 81 Ca -0.01 2.44 -0.18 0.00 0.04 0.00 0.00 61.00 63.29 3g8s s PRO 81 Cb -0.14 -3.12 0.28 0.00 0.04 0.00 0.00 34.50 31.56 3g8s s PRO 81 CO -0.05 -0.65 1.07 -1.64 0.04 0.00 0.00 177.00 175.77 3g8s s MET 82 N 1.05 -1.19 -0.34 4.56 -1.94 -0.89 -4.82 119.30 115.74 3g8s s MET 82 Ca 0.71 0.17 0.03 0.00 -1.71 0.00 0.00 55.69 54.89 3g8s s MET 82 Cb -0.46 -1.58 0.16 0.00 2.01 0.00 0.00 34.83 34.97 3g8s s MET 82 CO 0.32 -3.74 0.43 0.50 -0.01 0.00 0.00 175.02 172.53 3g8s s ARG 83 N -5.16 0.56 -0.22 2.03 3.52 -1.12 -3.03 118.95 115.54 3g8s s ARG 83 Ca 0.69 -0.30 -0.09 0.00 -0.13 0.00 0.00 55.73 55.90 3g8s s ARG 83 Cb -0.14 -0.40 -0.04 0.00 -1.56 0.00 0.00 34.95 32.81 3g8s s ARG 83 CO 0.58 -1.12 0.11 0.42 -0.81 0.00 0.00 175.30 174.48 3g8s s ILE 84 N 2.03 5.03 0.29 4.11 1.01 -1.26 -2.16 121.20 130.24 3g8s s ILE 84 Ca 0.13 0.06 0.05 0.00 0.00 0.00 0.00 60.65 60.89 3g8s s ILE 84 Cb -0.12 -3.32 -0.06 0.00 0.01 0.00 0.00 42.46 38.97 3g8s s ILE 84 CO -0.17 0.39 -0.01 -1.10 0.00 0.00 0.00 174.94 174.05 3g8s s GLN 85 N 0.83 1.54 0.62 2.79 -0.21 -0.44 -4.96 119.66 119.82 3g8s s GLN 85 Ca 0.06 -1.81 -0.16 0.00 0.02 0.00 0.00 55.36 53.47 3g8s s GLN 85 Cb -0.13 -0.97 -0.02 0.00 1.00 0.00 0.00 33.01 32.88 3g8s s GLN 85 CO 0.02 -0.06 1.09 0.71 -2.12 0.00 0.00 175.29 174.94 3g8s s TYR 86 N -3.17 2.75 0.40 0.91 2.02 -1.26 0.13 117.35 119.12 3g8s s TYR 86 Ca 0.31 1.54 -0.26 0.00 -0.37 0.00 0.00 57.07 58.29 3g8s s TYR 86 Cb 0.06 -3.13 -0.09 0.00 -0.40 0.00 0.00 41.96 38.39 3g8s s TYR 86 CO 0.12 -1.47 1.32 0.00 -1.57 0.00 0.00 175.55 173.96 3g8s s ALA 87 N -2.28 3.31 0.36 3.71 0.00 -0.41 -4.47 121.76 121.99 3g8s s ALA 87 Ca 0.67 1.28 0.13 0.00 0.00 0.00 0.00 51.96 54.03 3g8s s ALA 87 Cb -0.19 -3.50 0.71 0.00 0.00 0.00 0.00 23.12 20.14 3g8s s ALA 87 CO 0.37 -0.84 1.82 0.87 0.00 0.00 0.00 175.76 177.98 3g8s h LYS 88 N 2.77 0.00 -4.77 0.00 1.57 -1.91 -3.44 116.57 110.79 3g8s h LYS 88 Ca -0.50 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.00 3g8s h LYS 88 Cb 1.24 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 33.37 3g8s h LYS 88 CO 0.63 0.38 -0.73 0.95 -0.57 0.00 0.00 179.45 180.11 3g8s s THR 89 N -4.15 0.75 0.43 -0.16 -4.23 -1.26 -4.82 115.64 102.21 3g8s s THR 89 Ca -0.03 -1.53 -0.25 0.00 -1.18 0.00 0.00 61.69 58.71 3g8s s THR 89 Cb 0.14 -1.19 -0.08 0.00 1.34 0.00 0.00 72.50 72.71 3g8s s THR 89 CO 0.72 -0.57 1.29 -1.81 -0.54 0.00 0.00 174.62 173.71 3g8s s ASP 90 N -2.30 6.15 0.96 3.99 1.01 -1.26 -4.94 116.67 120.28 3g8s s ASP 90 Ca 0.02 2.62 -0.12 0.00 0.71 0.00 0.00 52.55 55.78 3g8s s ASP 90 Cb -0.03 -2.63 0.17 0.00 1.01 0.00 0.00 42.92 41.43 3g8s s ASP 90 CO -0.01 -0.96 1.09 -0.44 0.21 0.00 0.00 175.17 175.07 3g8s s SER 91 N -0.86 2.91 0.15 0.27 0.01 -1.26 -4.77 113.70 110.15 3g8s s SER 91 Ca 0.60 1.28 -0.16 0.00 1.31 0.00 0.00 55.95 58.98 3g8s s SER 91 Cb -0.37 -1.95 0.01 0.00 0.21 0.00 0.00 66.02 63.92 3g8s s SER 91 CO 0.47 -2.97 1.77 0.44 0.41 0.00 0.00 173.24 173.36 3g8s h ASP 92 N -1.78 0.50 0.59 2.44 3.32 -1.99 -0.38 116.42 119.13 3g8s h ASP 92 Ca -0.53 -0.07 -0.03 0.00 0.02 0.00 0.00 57.03 56.42 3g8s h ASP 92 Cb 1.31 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 40.73 3g8s h ASP 92 CO 0.57 0.43 -0.17 0.16 -1.72 0.00 0.00 179.24 178.51 3g8s h ILE 93 N 0.54 0.56 0.16 0.35 3.07 -2.01 -2.73 117.51 117.46 3g8s h ILE 93 Ca 0.15 -0.78 -0.31 0.00 1.55 0.00 0.00 64.86 65.47 3g8s h ILE 93 Cb 0.02 1.52 0.01 0.00 -0.27 0.00 0.00 36.82 38.10 3g8s h ILE 93 CO -0.03 0.16 -1.52 0.40 -1.05 0.00 0.00 178.15 176.12 3g8s h ILE 94 N 0.00 1.05 0.00 0.16 1.08 -1.84 -3.31 117.51 114.64 3g8s h ILE 94 Ca -0.00 -2.49 -0.06 0.00 -0.39 0.00 0.00 64.86 61.92 3g8s h ILE 94 Cb 0.50 2.81 -0.01 0.00 -3.07 0.00 0.00 36.82 37.05 3g8s h ILE 94 CO 0.02 0.78 -0.28 0.00 -0.69 0.00 0.00 178.15 177.99 3g8s h ALA 95 N 0.05 1.22 -0.27 1.87 0.00 -1.01 -1.84 119.26 119.28 3g8s h ALA 95 Ca -0.30 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.25 3g8s h ALA 95 Cb 1.94 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.68 3g8s h ALA 95 CO 0.14 0.34 -0.23 1.57 0.00 0.00 0.00 179.25 181.08 3g8s h LYS 96 N 0.00 0.63 -0.22 0.00 5.09 -1.63 -3.20 116.57 117.25 3g8s h LYS 96 Ca -0.00 -0.32 -0.13 0.00 0.09 0.00 0.00 60.65 60.29 3g8s h LYS 96 Cb 0.62 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.95 3g8s h LYS 96 CO 0.04 0.91 -0.42 0.52 -2.09 0.00 0.00 179.45 178.40 3g8s h MET 97 N 0.36 0.53 -0.01 0.07 2.07 -1.61 -3.52 114.93 112.82 3g8s h MET 97 Ca 0.05 -0.27 0.00 0.00 -2.07 0.00 0.00 59.70 57.40 3g8s h MET 97 Cb 0.78 0.01 0.00 0.00 -1.87 0.00 0.00 31.60 30.51 3g8s h MET 97 CO 0.06 0.85 0.00 1.63 1.07 0.00 0.00 176.91 180.52