#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fg9 s ASN -1 N 0.00 1.58 0.00 4.04 2.20 -1.26 -4.69 114.94 116.81 3fg9 s ASN -1 Ca 0.00 0.56 0.00 0.00 -0.94 0.00 0.00 52.86 52.48 3fg9 s ASN -1 Cb 0.00 -0.77 0.00 0.00 -2.00 0.00 0.00 41.25 38.48 3fg9 s ASN -1 CO 0.00 -3.71 0.01 0.00 -2.94 0.00 0.00 177.10 170.46 3fg9 n ALA 0 N -4.47 1.05 0.00 3.54 0.00 -1.26 -0.71 120.51 118.66 3fg9 n ALA 0 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 3fg9 n ALA 0 Cb 0.59 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.04 3fg9 n ALA 0 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3fg9 n GLU 2 N 0.45 0.00 -0.17 0.00 1.02 -1.26 -1.80 120.64 118.87 3fg9 n GLU 2 Ca 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.12 3fg9 n GLU 2 Cb 0.00 0.00 0.08 0.00 -0.02 0.00 0.00 31.44 31.50 3fg9 n GLU 2 CO 0.00 0.00 0.00 -0.97 1.18 0.00 0.00 177.13 177.34 3fg9 h ASN 3 N 0.00 0.08 -0.45 1.62 -0.73 -1.19 -2.40 115.58 112.51 3fg9 h ASN 3 Ca 0.00 0.08 -0.05 0.00 1.87 0.00 0.00 56.30 58.20 3fg9 h ASN 3 Cb 0.00 0.09 -0.02 0.00 0.27 0.00 0.00 38.32 38.67 3fg9 h ASN 3 CO 0.00 0.07 0.10 -0.61 -0.37 0.00 0.00 177.43 176.62 3fg9 h GLN 4 N 0.29 0.73 -1.54 6.67 4.15 -1.61 -2.46 115.11 121.34 3fg9 h GLN 4 Ca 0.26 -0.18 0.00 0.00 0.77 0.00 0.00 58.65 59.50 3fg9 h GLN 4 Cb 0.33 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 27.93 3fg9 h GLN 4 CO -0.31 0.73 0.00 1.17 -1.93 0.00 0.00 178.83 178.50 3fg9 n LYS 5 N -4.49 0.00 0.00 1.69 4.81 -0.90 -2.51 118.16 116.76 3fg9 n LYS 5 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3fg9 n LYS 5 Cb 0.22 -1.38 0.00 0.00 0.02 0.00 0.00 35.03 33.89 3fg9 n LYS 5 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 3fg9 n GLN 7 N 0.88 0.00 -1.85 1.64 3.00 -0.93 -4.91 117.38 115.21 3fg9 n GLN 7 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.57 3fg9 n GLN 7 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 30.24 30.21 3fg9 n GLN 7 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.06 175.06 3fg9 s GLU 8 N 0.00 4.18 0.54 -1.09 2.56 -1.04 -4.93 118.70 118.92 3fg9 s GLU 8 Ca 0.00 2.46 -0.21 0.00 0.00 0.00 0.00 54.97 57.22 3fg9 s GLU 8 Cb 0.00 -3.12 -0.06 0.00 2.00 0.00 0.00 34.13 32.95 3fg9 s GLU 8 CO 0.00 -0.66 1.15 -2.30 -0.56 0.00 0.00 175.26 172.89 3fg9 n PRO 9 N 3.91 1.34 -4.04 4.30 -0.02 -1.26 -4.99 135.00 134.24 3fg9 n PRO 9 Ca 0.14 0.50 -0.31 0.00 -2.02 0.00 0.00 63.50 61.81 3fg9 n PRO 9 Cb 0.37 -2.33 -0.16 0.00 -0.02 0.00 0.00 33.50 31.37 3fg9 n PRO 9 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3fg9 s LEU 10 N -2.40 2.66 -0.14 2.45 0.20 -1.26 -5.08 118.68 115.11 3fg9 s LEU 10 Ca 0.72 -1.04 -0.00 0.00 0.69 0.00 0.00 54.13 54.50 3fg9 s LEU 10 Cb -0.44 -1.37 0.03 0.00 -0.43 0.00 0.00 46.19 43.97 3fg9 s LEU 10 CO 0.50 -0.14 -0.11 -0.69 -0.29 0.00 0.00 176.35 175.62 3fg9 s VAL 11 N 1.28 1.33 0.37 1.68 1.01 -1.26 -5.12 120.40 119.68 3fg9 s VAL 11 Ca -0.03 -0.52 -0.28 0.00 0.00 0.00 0.00 61.98 61.15 3fg9 s VAL 11 Cb -0.17 -1.30 -0.11 0.00 0.00 0.00 0.00 36.38 34.80 3fg9 s VAL 11 CO -0.08 0.38 1.44 -0.31 0.00 0.00 0.00 175.10 176.54 3fg9 s TYR 12 N 1.58 2.70 -0.13 5.22 2.02 -1.26 -4.93 117.35 122.54 3fg9 s TYR 12 Ca 0.04 1.23 0.19 0.00 -0.37 0.00 0.00 57.07 58.16 3fg9 s TYR 12 Cb -0.13 -3.94 -0.18 0.00 -0.40 0.00 0.00 41.96 37.31 3fg9 s TYR 12 CO -0.09 -2.72 0.66 0.54 -1.57 0.00 0.00 175.55 172.37 3fg9 n ARG 13 N 0.54 0.64 -3.48 -0.62 5.12 -1.26 -4.89 116.66 112.70 3fg9 n ARG 13 Ca 0.01 0.06 -0.08 0.00 -1.93 0.00 0.00 57.85 55.91 3fg9 n ARG 13 Cb 0.40 -1.70 -0.08 0.00 -1.16 0.00 0.00 32.46 29.92 3fg9 n ARG 13 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 3fg9 s ARG 14 N -3.09 0.34 -0.16 5.56 0.52 -1.26 -3.97 118.95 116.89 3fg9 s ARG 14 Ca -0.05 0.78 -0.06 0.00 -0.52 0.00 0.00 55.73 55.89 3fg9 s ARG 14 Cb 0.10 -0.07 -0.04 0.00 0.52 0.00 0.00 34.95 35.46 3fg9 s ARG 14 CO 0.83 -0.46 0.02 0.42 0.02 0.00 0.00 175.30 176.14 3fg9 s ILE 15 N 2.59 4.46 -0.26 1.52 1.01 -0.46 -0.78 121.20 129.27 3fg9 s ILE 15 Ca 0.07 -0.16 -0.02 0.00 0.00 0.00 0.00 60.65 60.54 3fg9 s ILE 15 Cb -0.14 -2.98 0.03 0.00 0.01 0.00 0.00 42.46 39.38 3fg9 s ILE 15 CO -0.15 0.49 -0.04 -0.22 0.00 0.00 0.00 174.94 175.03 3fg9 s LEU 16 N 0.20 3.38 -0.23 2.97 2.96 0.25 -0.66 118.68 127.55 3fg9 s LEU 16 Ca 0.02 -0.93 -0.14 0.00 -0.22 0.00 0.00 54.13 52.86 3fg9 s LEU 16 Cb -0.13 -1.69 -0.04 0.00 0.50 0.00 0.00 46.19 44.83 3fg9 s LEU 16 CO 0.01 -0.16 0.30 -0.22 -1.32 0.00 0.00 176.35 174.97 3fg9 s LEU 17 N 1.33 4.11 -0.18 -0.68 2.96 0.11 -0.42 118.68 125.92 3fg9 s LEU 17 Ca -0.01 0.31 -0.06 0.00 -0.22 0.00 0.00 54.13 54.15 3fg9 s LEU 17 Cb -0.17 -2.34 -0.04 0.00 0.50 0.00 0.00 46.19 44.14 3fg9 s LEU 17 CO -0.03 -0.05 0.03 0.42 -1.32 0.00 0.00 176.35 175.40 3fg9 s THR 18 N 1.38 4.50 0.12 3.68 -4.23 0.00 -0.55 115.64 120.55 3fg9 s THR 18 Ca 0.14 -0.14 0.05 0.00 -1.18 0.00 0.00 61.69 60.56 3fg9 s THR 18 Cb -0.15 -3.01 -0.04 0.00 1.34 0.00 0.00 72.50 70.64 3fg9 s THR 18 CO 0.07 0.47 -0.13 0.68 -0.54 0.00 0.00 174.62 175.17 3fg9 s VAL 19 N 0.39 1.27 0.00 2.29 -7.23 -0.35 -4.40 120.40 112.37 3fg9 s VAL 19 Ca 0.01 -1.75 0.00 0.00 -1.81 0.00 0.00 61.98 58.43 3fg9 s VAL 19 Cb -0.13 -1.54 0.00 0.00 0.56 0.00 0.00 36.38 35.27 3fg9 s VAL 19 CO 0.01 -0.47 0.00 -0.90 -0.31 0.00 0.00 175.10 173.43 3fg9 n ASP 20 N 0.45 1.33 -0.02 4.85 5.68 -1.26 -4.41 116.55 123.17 3fg9 n ASP 20 Ca -0.15 -0.52 0.13 0.00 -0.50 0.00 0.00 54.79 53.75 3fg9 n ASP 20 Cb 0.57 0.00 0.45 0.00 -1.14 0.00 0.00 41.12 41.00 3fg9 n ASP 20 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 3fg9 n GLU 21 N -0.17 0.12 -3.00 0.11 0.00 -1.26 -4.90 120.64 111.53 3fg9 n GLU 21 Ca 0.00 -0.04 -0.39 0.00 0.00 0.00 0.00 57.16 56.72 3fg9 n GLU 21 Cb 0.00 -1.50 -0.06 0.00 0.00 0.00 0.00 31.44 29.88 3fg9 n GLU 21 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 3fg9 s ASP 22 N -2.91 7.36 -0.43 -1.84 2.15 -1.26 -5.02 116.67 114.72 3fg9 s ASP 22 Ca 0.15 1.61 -0.08 0.00 0.43 0.00 0.00 52.55 54.66 3fg9 s ASP 22 Cb 0.18 -2.49 0.10 0.00 -0.30 0.00 0.00 42.92 40.41 3fg9 s ASP 22 CO 0.60 0.21 0.27 -0.62 -0.17 0.00 0.00 175.17 175.46 3fg9 s ASP 23 N -1.11 5.58 0.30 -0.34 2.15 -1.26 -4.86 116.67 117.12 3fg9 s ASP 23 Ca 0.35 -1.71 0.04 0.00 0.43 0.00 0.00 52.55 51.66 3fg9 s ASP 23 Cb -0.23 -1.96 -0.04 0.00 -0.30 0.00 0.00 42.92 40.39 3fg9 s ASP 23 CO 0.26 -0.58 0.19 0.54 -0.17 0.00 0.00 175.17 175.41 3fg9 s ASN 24 N 2.23 1.37 0.27 -0.34 2.20 -1.26 -5.03 114.94 114.39 3fg9 s ASN 24 Ca 0.04 -1.60 -0.03 0.00 -0.94 0.00 0.00 52.86 50.34 3fg9 s ASN 24 Cb -0.24 0.45 0.36 0.00 -2.00 0.00 0.00 41.25 39.82 3fg9 s ASN 24 CO 0.00 -0.94 1.84 0.71 -2.94 0.00 0.00 177.10 175.77 3fg9 h THR 25 N 2.25 1.23 -0.46 0.54 1.35 -1.99 -1.53 112.91 114.29 3fg9 h THR 25 Ca -0.31 -0.75 -0.10 0.00 -0.55 0.00 0.00 66.41 64.69 3fg9 h THR 25 Cb 1.24 0.50 -0.02 0.00 -1.73 0.00 0.00 68.15 68.15 3fg9 h THR 25 CO 0.47 0.30 -0.13 0.77 -0.25 0.00 0.00 175.52 176.68 3fg9 h SER 26 N 0.92 0.86 0.09 5.36 4.64 -1.92 -1.22 113.55 122.27 3fg9 h SER 26 Ca 0.21 -0.27 -0.15 0.00 -0.47 0.00 0.00 61.79 61.11 3fg9 h SER 26 Cb 0.22 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.07 3fg9 h SER 26 CO -0.01 0.99 -0.52 0.77 -0.87 0.00 0.00 176.83 177.19 3fg9 h SER 27 N 0.77 0.53 -0.24 4.97 4.64 -1.80 0.49 113.55 122.91 3fg9 h SER 27 Ca 0.12 -0.27 -0.02 0.00 -0.47 0.00 0.00 61.79 61.15 3fg9 h SER 27 Cb 0.64 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.57 3fg9 h SER 27 CO 0.04 0.96 0.06 -0.08 -0.87 0.00 0.00 176.83 176.94 3fg9 h GLU 28 N 0.38 0.39 -0.29 4.77 4.81 -1.15 -1.19 114.58 122.29 3fg9 h GLU 28 Ca 0.01 -0.09 -0.11 0.00 -0.13 0.00 0.00 59.36 59.05 3fg9 h GLU 28 Cb 1.04 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.36 3fg9 h GLU 28 CO 0.09 0.48 -0.27 0.00 -0.73 0.00 0.00 179.01 178.59 3fg9 h ARG 29 N 0.22 0.57 -0.45 1.92 3.08 -1.11 -0.41 114.38 118.19 3fg9 h ARG 29 Ca 0.08 -0.23 0.00 0.00 0.07 0.00 0.00 59.98 59.90 3fg9 h ARG 29 Cb 0.27 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 3fg9 h ARG 29 CO 0.00 0.78 0.30 0.00 -1.07 0.00 0.00 179.97 179.98 3fg9 h ALA 30 N 1.22 0.58 -0.42 0.04 0.00 -0.72 0.75 119.26 120.71 3fg9 h ALA 30 Ca 0.07 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3fg9 h ALA 30 Cb 0.72 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3fg9 h ALA 30 CO 0.06 0.04 0.17 0.35 0.00 0.00 0.00 179.25 179.86 3fg9 h PHE 31 N 0.61 0.63 -0.76 0.00 3.57 -0.90 -0.99 116.94 119.10 3fg9 h PHE 31 Ca 0.17 -0.05 -0.06 0.00 3.53 0.00 0.00 57.97 61.56 3fg9 h PHE 31 Cb -0.06 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.46 3fg9 h PHE 31 CO -0.04 0.55 0.25 0.00 -2.23 0.00 0.00 178.31 176.84 3fg9 h ARG 32 N 0.53 1.17 -0.06 1.11 3.08 -0.84 -0.75 114.38 118.62 3fg9 h ARG 32 Ca 0.14 -0.25 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 3fg9 h ARG 32 Cb 0.19 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.07 3fg9 h ARG 32 CO -0.01 0.99 0.01 -0.92 -1.07 0.00 0.00 179.97 178.97 3fg9 h TYR 33 N 1.13 0.11 -0.93 3.04 3.20 -0.69 0.22 116.97 123.05 3fg9 h TYR 33 Ca 0.25 -0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.11 3fg9 h TYR 33 Cb 0.30 -0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.49 3fg9 h TYR 33 CO 0.03 0.32 0.61 0.00 -1.64 0.00 0.00 178.16 177.48 3fg9 h ALA 34 N 0.78 1.18 0.04 1.82 0.00 -1.02 -0.53 119.26 121.52 3fg9 h ALA 34 Ca 0.02 -0.07 -0.22 0.00 0.00 0.00 0.00 54.91 54.64 3fg9 h ALA 34 Cb 0.27 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3fg9 h ALA 34 CO 0.00 0.58 -1.02 1.79 0.00 0.00 0.00 179.25 180.60 3fg9 h THR 35 N 1.26 1.60 -0.36 0.00 1.35 -1.09 -1.28 112.91 114.39 3fg9 h THR 35 Ca 0.34 -3.08 -0.02 0.00 -0.55 0.00 0.00 66.41 63.09 3fg9 h THR 35 Cb -0.14 2.76 -0.02 0.00 -1.73 0.00 0.00 68.15 69.02 3fg9 h THR 35 CO -0.07 0.89 0.13 0.74 -0.25 0.00 0.00 175.52 176.96 3fg9 h THR 36 N 0.05 1.20 -0.05 6.82 2.02 -0.70 0.44 112.91 122.69 3fg9 h THR 36 Ca -0.05 -0.63 0.01 0.00 0.77 0.00 0.00 66.41 66.51 3fg9 h THR 36 Cb 1.74 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 69.08 3fg9 h THR 36 CO 0.15 0.22 -0.03 0.25 0.37 0.00 0.00 175.52 176.49 3fg9 h LEU 37 N 0.43 -0.09 -0.97 2.58 6.46 -1.07 0.14 115.31 122.79 3fg9 h LEU 37 Ca 0.12 0.02 -0.05 0.00 -0.12 0.00 0.00 57.88 57.85 3fg9 h LEU 37 Cb 0.22 0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 40.17 3fg9 h LEU 37 CO -0.01 -0.04 0.18 0.00 -0.62 0.00 0.00 178.44 177.96 3fg9 h ALA 38 N 1.02 1.17 -0.04 1.25 0.00 -1.13 -1.09 119.26 120.44 3fg9 h ALA 38 Ca 0.03 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 3fg9 h ALA 38 Cb 0.07 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 3fg9 h ALA 38 CO -0.06 0.58 -0.06 1.25 0.00 0.00 0.00 179.25 180.96 3fg9 h HIS 39 N 0.90 0.13 -0.07 0.00 -0.00 -0.77 -0.71 115.15 114.63 3fg9 h HIS 39 Ca 0.20 -0.04 -0.11 0.00 -0.00 0.00 0.00 60.37 60.42 3fg9 h HIS 39 Cb 0.27 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 27.64 3fg9 h HIS 39 CO 0.02 0.61 -0.44 -0.44 -0.00 0.00 0.00 177.93 177.67 3fg9 h ASP 40 N -0.38 0.17 -0.02 3.26 3.32 -0.50 -3.12 116.42 119.15 3fg9 h ASP 40 Ca 0.00 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.98 3fg9 h ASP 40 Cb 0.59 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.09 3fg9 h ASP 40 CO 0.01 0.59 -0.23 -1.22 -1.72 0.00 0.00 179.24 176.68 3fg9 n TYR 41 N -4.00 0.00 -3.42 4.55 4.01 -0.43 -5.01 117.16 112.85 3fg9 n TYR 41 Ca -0.02 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.52 3fg9 n TYR 41 Cb 0.49 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.58 3fg9 n TYR 41 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3fg9 n ASP 42 N 0.41 -5.70 -4.28 7.72 2.03 -0.33 -5.03 116.55 111.38 3fg9 n ASP 42 Ca 0.09 -0.81 -0.21 0.00 0.52 0.00 0.00 54.79 54.38 3fg9 n ASP 42 Cb 0.43 -4.56 -0.12 0.00 -0.72 0.00 0.00 41.12 36.15 3fg9 n ASP 42 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 3fg9 s VAL 43 N -3.43 1.57 0.55 5.18 -7.23 -0.87 -5.06 120.40 111.11 3fg9 s VAL 43 Ca 0.42 -1.70 -0.20 0.00 -1.81 0.00 0.00 61.98 58.69 3fg9 s VAL 43 Cb -0.09 -1.60 -0.05 0.00 0.56 0.00 0.00 36.38 35.20 3fg9 s VAL 43 CO 0.78 -0.27 1.17 -2.84 -0.31 0.00 0.00 175.10 173.63 3fg9 s PRO 44 N -2.43 3.24 -0.05 4.82 0.02 -1.25 -4.66 135.00 134.68 3fg9 s PRO 44 Ca 0.10 1.74 0.05 0.00 0.02 0.00 0.00 61.00 62.90 3fg9 s PRO 44 Cb -0.07 -2.02 -0.00 0.00 0.02 0.00 0.00 34.50 32.42 3fg9 s PRO 44 CO 0.04 -0.97 -0.19 -1.17 -0.33 0.00 0.00 177.00 174.39 3fg9 s LEU 45 N -3.82 1.95 0.01 -5.54 2.96 -0.16 -1.35 118.68 112.73 3fg9 s LEU 45 Ca 0.74 -0.39 0.08 0.00 -0.22 0.00 0.00 54.13 54.34 3fg9 s LEU 45 Cb -0.28 -1.05 -0.03 0.00 0.50 0.00 0.00 46.19 45.34 3fg9 s LEU 45 CO 0.31 0.17 -0.24 -0.83 -1.32 0.00 0.00 176.35 174.44 3fg9 s GLY 46 N 0.01 1.39 -0.20 7.98 0.00 0.17 -1.41 107.32 115.25 3fg9 s GLY 46 Ca -0.04 -1.18 0.01 0.00 0.00 0.00 0.00 44.72 43.51 3fg9 s GLY 46 CO 0.03 -1.03 -0.13 -0.42 0.00 0.00 0.00 173.10 171.55 3fg9 s ILE 47 N -0.75 1.86 0.09 0.90 1.01 -0.15 -0.72 121.20 123.45 3fg9 s ILE 47 Ca 0.11 -1.09 0.10 0.00 0.00 0.00 0.00 60.65 59.77 3fg9 s ILE 47 Cb -0.10 -1.85 -0.03 0.00 0.01 0.00 0.00 42.46 40.48 3fg9 s ILE 47 CO 0.01 0.25 -0.26 0.00 0.00 0.00 0.00 174.94 174.94 3fg9 s SER 49 N -1.70 0.16 -0.12 0.00 0.15 -1.03 -1.21 113.70 109.95 3fg9 s SER 49 Ca 0.13 -1.13 0.00 0.00 0.70 0.00 0.00 55.95 55.65 3fg9 s SER 49 Cb -0.10 0.38 0.02 0.00 -1.71 0.00 0.00 66.02 64.61 3fg9 s SER 49 CO 0.05 -0.83 -0.11 -0.69 1.20 0.00 0.00 173.24 172.85 3fg9 s VAL 50 N -4.05 1.27 0.35 4.45 1.01 -1.26 -1.52 120.40 120.64 3fg9 s VAL 50 Ca 0.25 -0.46 -0.13 0.00 0.00 0.00 0.00 61.98 61.65 3fg9 s VAL 50 Cb 0.06 -1.22 -0.08 0.00 0.00 0.00 0.00 36.38 35.13 3fg9 s VAL 50 CO 0.04 0.41 0.74 -0.76 0.00 0.00 0.00 175.10 175.53 3fg9 s LEU 51 N 1.48 3.99 0.28 3.92 1.43 0.96 -4.87 118.68 125.86 3fg9 s LEU 51 Ca 0.02 1.22 -0.28 0.00 -1.03 0.00 0.00 54.13 54.06 3fg9 s LEU 51 Cb -0.13 -4.05 -0.09 0.00 0.03 0.00 0.00 46.19 41.95 3fg9 s LEU 51 CO -0.08 -0.27 0.97 -0.70 0.23 0.00 0.00 176.35 176.51 3fg9 s GLU 52 N -3.26 4.71 0.19 1.70 2.12 -1.26 -1.69 118.70 121.20 3fg9 s GLU 52 Ca 0.53 1.49 0.05 0.00 0.36 0.00 0.00 54.97 57.40 3fg9 s GLU 52 Cb -0.10 -3.08 -0.04 0.00 0.26 0.00 0.00 34.13 31.17 3fg9 s GLU 52 CO 0.22 0.37 0.21 -1.12 -0.54 0.00 0.00 175.26 174.40 3fg9 s SER 53 N -1.29 5.79 0.44 -1.70 0.01 -1.26 -4.88 113.70 110.81 3fg9 s SER 53 Ca 0.45 -0.07 -0.25 0.00 1.31 0.00 0.00 55.95 57.39 3fg9 s SER 53 Cb -0.24 -1.58 -0.08 0.00 0.21 0.00 0.00 66.02 64.32 3fg9 s SER 53 CO 0.31 0.02 1.34 -1.61 0.41 0.00 0.00 173.24 173.71 3fg9 s GLU 54 N -3.45 3.77 -0.24 12.44 2.02 -1.26 -5.01 118.70 126.97 3fg9 s GLU 54 Ca 0.33 2.23 -0.11 0.00 0.02 0.00 0.00 54.97 57.44 3fg9 s GLU 54 Cb -0.10 -2.65 -0.05 0.00 0.10 0.00 0.00 34.13 31.44 3fg9 s GLU 54 CO 0.26 -0.68 0.17 0.34 0.02 0.00 0.00 175.26 175.37 3fg9 s ASP 55 N -0.72 6.12 0.51 -0.19 -1.08 -1.26 -4.98 116.67 115.07 3fg9 s ASP 55 Ca 0.60 0.12 0.34 0.00 -0.52 0.00 0.00 52.55 53.09 3fg9 s ASP 55 Cb -0.40 -2.11 1.60 0.00 -1.46 0.00 0.00 42.92 40.55 3fg9 s ASP 55 CO 0.50 0.05 2.02 0.16 0.52 0.00 0.00 175.17 178.42 3fg9 h ILE 56 N 5.05 0.00 -0.04 4.11 -0.00 -2.07 -1.03 117.51 123.53 3fg9 h ILE 56 Ca -0.38 -0.26 0.00 0.00 -0.00 0.00 0.00 64.86 64.23 3fg9 h ILE 56 Cb 1.17 1.15 0.00 0.00 -0.00 0.00 0.00 36.82 39.14 3fg9 h ILE 56 CO 0.65 0.00 0.00 0.59 -0.00 0.00 0.00 178.15 179.39 3fg9 n ASN 57 N -2.85 1.50 -4.15 2.16 3.02 -1.26 -4.75 115.26 108.93 3fg9 n ASN 57 Ca -0.00 -1.53 -0.34 0.00 -0.03 0.00 0.00 54.58 52.67 3fg9 n ASN 57 Cb 0.19 -0.02 -0.14 0.00 -0.61 0.00 0.00 39.78 39.20 3fg9 n ASN 57 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3fg9 s ILE 58 N -1.96 2.77 -0.20 2.41 -1.09 -0.39 -5.07 121.20 117.67 3fg9 s ILE 58 Ca 0.37 -1.41 0.00 0.00 -2.23 0.00 0.00 60.65 57.38 3fg9 s ILE 58 Cb 0.20 -2.58 0.05 0.00 -1.58 0.00 0.00 42.46 38.55 3fg9 s ILE 58 CO 0.32 -0.05 -0.06 0.12 -1.23 0.00 0.00 174.94 174.04 3fg9 s PHE 59 N 1.22 2.06 0.33 3.97 5.36 -1.26 -4.73 117.98 124.93 3fg9 s PHE 59 Ca -0.06 -1.42 -0.18 0.00 -0.96 0.00 0.00 56.93 54.31 3fg9 s PHE 59 Cb -0.19 -1.46 0.05 0.00 -0.34 0.00 0.00 43.02 41.08 3fg9 s PHE 59 CO -0.02 -0.70 0.81 0.16 -1.46 0.00 0.00 175.22 174.01 3fg9 s ASP 60 N 1.51 -0.05 0.19 6.13 1.47 -1.26 -5.07 116.67 119.58 3fg9 s ASP 60 Ca -0.02 -0.96 0.13 0.00 1.18 0.00 0.00 52.55 52.88 3fg9 s ASP 60 Cb -0.17 0.77 -0.06 0.00 -0.34 0.00 0.00 42.92 43.13 3fg9 s ASP 60 CO -0.07 -1.51 1.27 0.77 0.68 0.00 0.00 175.17 176.31 3fg9 h SER 61 N 2.00 0.00 0.08 2.11 4.64 -2.05 -3.39 113.55 116.94 3fg9 h SER 61 Ca -0.29 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.66 3fg9 h SER 61 Cb 1.25 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.29 3fg9 h SER 61 CO 0.36 0.68 -2.23 -0.11 -0.87 0.00 0.00 176.83 174.66 3fg9 n LEU 62 N -3.20 2.63 -0.26 5.97 0.00 -1.26 -4.47 117.00 116.41 3fg9 n LEU 62 Ca -0.01 0.04 0.07 0.00 0.00 0.00 0.00 56.01 56.11 3fg9 n LEU 62 Cb 0.82 -0.91 0.21 0.00 0.00 0.00 0.00 43.42 43.54 3fg9 n LEU 62 CO 0.43 0.86 0.94 0.74 0.00 0.00 0.00 177.39 180.37 3fg9 h THR 63 N 0.03 0.49 -0.63 1.96 2.02 -1.98 -1.63 112.91 113.17 3fg9 h THR 63 Ca -0.50 -0.10 0.01 0.00 0.77 0.00 0.00 66.41 66.59 3fg9 h THR 63 Cb 1.98 0.18 -0.03 0.00 -1.74 0.00 0.00 68.15 68.54 3fg9 h THR 63 CO 0.00 0.05 0.42 -0.65 0.37 0.00 0.00 175.52 175.71 3fg9 h PRO 64 N 0.28 0.83 -0.58 6.66 0.11 -1.78 0.43 132.00 137.95 3fg9 h PRO 64 Ca 0.45 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.48 3fg9 h PRO 64 Cb 0.79 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 31.68 3fg9 h PRO 64 CO -0.53 0.55 0.28 0.77 -0.21 0.00 0.00 178.00 178.86 3fg9 h SER 65 N 0.86 0.75 -0.34 -2.05 0.02 -1.62 -0.08 113.55 111.09 3fg9 h SER 65 Ca 0.23 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3fg9 h SER 65 Cb -0.10 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.23 3fg9 h SER 65 CO -0.05 0.67 0.22 0.50 -1.14 0.00 0.00 176.83 177.03 3fg9 h LYS 66 N 0.78 0.46 -0.15 3.45 3.64 -0.75 -0.09 116.57 123.90 3fg9 h LYS 66 Ca 0.20 -0.04 -0.15 0.00 -1.27 0.00 0.00 60.65 59.39 3fg9 h LYS 66 Cb 0.12 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 3fg9 h LYS 66 CO -0.02 0.33 -0.49 0.82 -2.27 0.00 0.00 179.45 177.82 3fg9 h ILE 67 N 0.45 1.34 -0.73 2.00 2.04 -0.81 -2.14 117.51 119.66 3fg9 h ILE 67 Ca 0.12 -1.75 -0.03 0.00 1.00 0.00 0.00 64.86 64.20 3fg9 h ILE 67 Cb -0.02 2.02 -0.03 0.00 -0.74 0.00 0.00 36.82 38.04 3fg9 h ILE 67 CO -0.02 0.54 0.34 1.56 0.00 0.00 0.00 178.15 180.56 3fg9 h GLN 68 N 0.25 1.06 -0.32 2.37 4.20 -0.93 -0.69 115.11 121.06 3fg9 h GLN 68 Ca -0.02 -0.16 -0.12 0.00 0.06 0.00 0.00 58.65 58.40 3fg9 h GLN 68 Cb 1.11 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.69 3fg9 h GLN 68 CO 0.10 0.84 -0.31 0.00 -0.67 0.00 0.00 178.83 178.79 3fg9 h ALA 69 N 1.17 0.86 -0.49 3.87 0.00 -0.99 -1.33 119.26 122.35 3fg9 h ALA 69 Ca 0.25 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 3fg9 h ALA 69 Cb 0.14 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3fg9 h ALA 69 CO -0.03 0.63 0.07 -0.22 0.00 0.00 0.00 179.25 179.70 3fg9 h LYS 70 N 0.58 0.82 -0.31 0.00 3.64 -1.01 -1.33 116.57 118.96 3fg9 h LYS 70 Ca 0.07 -0.23 0.03 0.00 -1.27 0.00 0.00 60.65 59.25 3fg9 h LYS 70 Cb 0.82 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.52 3fg9 h LYS 70 CO 0.07 0.83 0.13 0.00 -2.27 0.00 0.00 179.45 178.21 3fg9 h ARG 71 N 0.69 0.28 -0.67 1.90 3.08 -0.88 -0.88 114.38 117.90 3fg9 h ARG 71 Ca 0.15 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.14 3fg9 h ARG 71 Cb 0.41 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.37 3fg9 h ARG 71 CO 0.01 0.18 0.24 -0.22 -1.07 0.00 0.00 179.97 179.11 3fg9 h LYS 72 N 0.29 1.00 -0.16 0.04 1.63 -1.13 -0.52 116.57 117.71 3fg9 h LYS 72 Ca 0.13 -0.18 -0.00 0.00 -0.85 0.00 0.00 60.65 59.75 3fg9 h LYS 72 Cb 0.08 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 31.54 3fg9 h LYS 72 CO -0.11 0.84 0.09 1.25 -3.45 0.00 0.00 179.45 178.06 3fg9 h HIS 73 N 0.97 0.23 -0.61 1.91 2.76 -0.78 0.16 115.15 119.80 3fg9 h HIS 73 Ca 0.22 -0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.34 3fg9 h HIS 73 Cb 0.23 -0.07 -0.03 0.00 1.55 0.00 0.00 27.41 29.09 3fg9 h HIS 73 CO 0.02 0.24 0.21 0.28 -1.30 0.00 0.00 177.93 177.38 3fg9 h VAL 74 N 0.15 1.24 -0.89 5.26 2.07 -0.91 -0.56 116.25 122.61 3fg9 h VAL 74 Ca 0.06 -0.78 0.07 0.00 0.82 0.00 0.00 66.70 66.86 3fg9 h VAL 74 Cb 0.09 0.61 -0.06 0.00 -1.52 0.00 0.00 31.29 30.40 3fg9 h VAL 74 CO -0.01 0.30 0.56 -0.33 0.02 0.00 0.00 177.57 178.11 3fg9 h GLU 75 N 0.85 0.98 -0.42 1.57 5.08 -0.92 -0.33 114.58 121.39 3fg9 h GLU 75 Ca 0.20 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.45 3fg9 h GLU 75 Cb 0.25 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 3fg9 h GLU 75 CO -0.01 0.65 0.07 -0.44 -1.00 0.00 0.00 179.01 178.27 3fg9 h ASP 76 N 1.00 0.67 -0.41 1.42 3.32 -0.41 -0.50 116.42 121.52 3fg9 h ASP 76 Ca 0.39 -0.26 -0.03 0.00 0.02 0.00 0.00 57.03 57.15 3fg9 h ASP 76 Cb 0.19 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 3fg9 h ASP 76 CO -0.18 0.76 0.16 0.58 -1.72 0.00 0.00 179.24 178.84 3fg9 h VAL 77 N 0.55 1.20 -0.39 -1.35 2.07 -0.63 -0.55 116.25 117.15 3fg9 h VAL 77 Ca 0.13 -0.63 -0.02 0.00 0.82 0.00 0.00 66.70 67.00 3fg9 h VAL 77 Cb 0.38 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 3fg9 h VAL 77 CO 0.01 0.23 0.18 0.58 0.02 0.00 0.00 177.57 178.59 3fg9 h VAL 78 N 0.52 1.18 -0.50 2.57 2.07 -0.93 -0.78 116.25 120.38 3fg9 h VAL 78 Ca 0.14 -0.52 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 3fg9 h VAL 78 Cb 0.21 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 3fg9 h VAL 78 CO -0.01 0.19 0.25 0.00 0.02 0.00 0.00 177.57 178.03 3fg9 h ALA 79 N 1.03 1.50 -0.21 1.67 0.00 -0.88 -1.25 119.26 121.12 3fg9 h ALA 79 Ca 0.13 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 3fg9 h ALA 79 Cb 0.14 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 3fg9 h ALA 79 CO -0.02 0.41 -0.36 1.49 0.00 0.00 0.00 179.25 180.77 3fg9 h GLU 80 N 0.70 0.62 -0.90 0.00 4.81 -0.68 -1.50 114.58 117.63 3fg9 h GLU 80 Ca 0.18 -0.38 0.06 0.00 -0.13 0.00 0.00 59.36 59.09 3fg9 h GLU 80 Cb 0.06 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.42 3fg9 h GLU 80 CO -0.03 1.00 0.57 1.88 -0.73 0.00 0.00 179.01 181.70 3fg9 h TYR 81 N 0.31 1.05 -0.33 0.92 0.05 -0.84 0.12 116.97 118.25 3fg9 h TYR 81 Ca 0.01 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.82 3fg9 h TYR 81 Cb 0.96 -0.34 -0.02 0.00 1.01 0.00 0.00 36.73 38.34 3fg9 h TYR 81 CO 0.09 0.54 0.20 0.28 -1.05 0.00 0.00 178.16 178.22 3fg9 h VAL 82 N 1.04 1.11 -0.75 -2.88 2.07 -1.01 -0.56 116.25 115.26 3fg9 h VAL 82 Ca 0.39 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.64 3fg9 h VAL 82 Cb 0.16 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 3fg9 h VAL 82 CO -0.17 0.11 0.36 1.56 0.02 0.00 0.00 177.57 179.44 3fg9 h GLN 83 N 0.42 1.09 -0.50 1.57 1.08 -0.85 -1.19 115.11 116.73 3fg9 h GLN 83 Ca 0.12 -0.16 -0.05 0.00 -1.45 0.00 0.00 58.65 57.11 3fg9 h GLN 83 Cb -0.00 -0.19 -0.02 0.00 -0.05 0.00 0.00 27.48 27.21 3fg9 h GLN 83 CO -0.02 0.85 0.12 -0.07 -0.95 0.00 0.00 178.83 178.76 3fg9 h LEU 84 N 1.06 0.71 -0.50 1.46 3.38 -0.72 -0.39 115.31 120.31 3fg9 h LEU 84 Ca 0.26 -0.12 -0.15 0.00 0.09 0.00 0.00 57.88 57.96 3fg9 h LEU 84 Cb 0.13 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3fg9 h LEU 84 CO -0.03 0.70 -0.35 0.00 0.09 0.00 0.00 178.44 178.85 3fg9 h ALA 85 N 1.39 0.68 -0.60 1.53 0.00 -0.64 -0.72 119.26 120.91 3fg9 h ALA 85 Ca 0.17 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 3fg9 h ALA 85 Cb 0.28 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3fg9 h ALA 85 CO -0.00 0.67 0.25 0.93 0.00 0.00 0.00 179.25 181.09 3fg9 h GLU 86 N 0.70 0.89 -0.48 0.00 5.08 -0.83 -1.59 114.58 118.34 3fg9 h GLU 86 Ca 0.07 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 3fg9 h GLU 86 Cb 0.92 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.00 3fg9 h GLU 86 CO 0.08 0.75 0.22 1.96 -1.00 0.00 0.00 179.01 181.03 3fg9 h GLN 87 N 0.83 0.68 0.00 2.33 4.20 -0.83 -1.43 115.11 120.89 3fg9 h GLN 87 Ca 0.20 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.83 3fg9 h GLN 87 Cb 0.19 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.84 3fg9 h GLN 87 CO -0.02 0.54 0.00 -0.09 -0.67 0.00 0.00 178.83 178.59 3fg9 h ARG 88 N 0.68 0.00 0.00 1.46 9.65 -0.78 -3.46 114.38 121.93 3fg9 h ARG 88 Ca 0.17 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.05 3fg9 h ARG 88 Cb 0.09 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.67 3fg9 h ARG 88 CO -0.02 0.00 0.00 0.41 2.80 0.00 0.00 179.97 183.16 3fg9 n GLY 89 N -0.44 1.10 3.68 2.80 0.00 -0.54 -5.01 105.19 106.78 3fg9 n GLY 89 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 3fg9 n GLY 89 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fg9 s VAL 90 N -2.00 3.75 0.17 1.61 1.01 -0.63 -4.85 120.40 119.46 3fg9 s VAL 90 Ca 0.00 1.09 -0.01 0.00 0.00 0.00 0.00 61.98 63.06 3fg9 s VAL 90 Cb 0.00 -3.70 -0.12 0.00 0.00 0.00 0.00 36.38 32.56 3fg9 s VAL 90 CO 0.00 -0.02 1.42 0.78 0.00 0.00 0.00 175.10 177.28 3fg9 h ASN 91 N 8.05 0.44 -3.36 3.32 -0.26 -1.88 -3.41 115.58 118.48 3fg9 h ASN 91 Ca -0.37 -0.30 -0.58 0.00 -0.56 0.00 0.00 56.30 54.48 3fg9 h ASN 91 Cb 1.17 -0.13 -0.39 0.00 -1.06 0.00 0.00 38.32 37.90 3fg9 h ASN 91 CO 0.91 1.05 -0.76 -1.10 -1.06 0.00 0.00 177.43 176.47 3fg9 s GLN 92 N -3.53 1.02 -0.01 0.81 -1.52 -1.26 -5.10 119.66 110.06 3fg9 s GLN 92 Ca -0.05 -1.00 0.00 0.00 -1.95 0.00 0.00 55.36 52.36 3fg9 s GLN 92 Cb 0.10 -2.30 0.01 0.00 -0.22 0.00 0.00 33.01 30.60 3fg9 s GLN 92 CO 0.84 -0.81 -0.00 0.54 -0.25 0.00 0.00 175.29 175.60 3fg9 s VAL 93 N 1.53 0.10 0.00 1.09 0.11 -1.26 -0.99 120.40 120.98 3fg9 s VAL 93 Ca 0.04 0.01 -0.02 0.00 -2.93 0.00 0.00 61.98 59.08 3fg9 s VAL 93 Cb -0.18 -0.13 -0.01 0.00 -1.53 0.00 0.00 36.38 34.54 3fg9 s VAL 93 CO -0.15 0.06 0.03 -1.83 -3.33 0.00 0.00 175.10 169.88 3fg9 s GLU 94 N 0.32 0.22 0.36 1.54 -1.05 -0.50 -5.00 118.70 114.60 3fg9 s GLU 94 Ca -0.03 -0.28 -0.25 0.00 -0.15 0.00 0.00 54.97 54.27 3fg9 s GLU 94 Cb -0.05 0.09 -0.10 0.00 -0.44 0.00 0.00 34.13 33.63 3fg9 s GLU 94 CO -0.01 -0.04 0.99 -1.25 0.95 0.00 0.00 175.26 175.90 3fg9 s PRO 95 N -0.78 4.39 -0.44 -4.83 0.04 -1.26 -0.97 135.00 131.14 3fg9 s PRO 95 Ca -0.09 1.39 0.04 0.00 0.04 0.00 0.00 61.00 62.38 3fg9 s PRO 95 Cb -0.05 -2.64 0.17 0.00 0.04 0.00 0.00 34.50 32.01 3fg9 s PRO 95 CO -0.00 0.09 0.35 -0.51 0.04 0.00 0.00 177.00 176.96 3fg9 s LEU 96 N -2.38 1.79 -0.30 -3.56 1.43 0.47 -4.82 118.68 111.31 3fg9 s LEU 96 Ca 0.54 -3.11 -0.14 0.00 -1.03 0.00 0.00 54.13 50.39 3fg9 s LEU 96 Cb -0.19 -0.58 -0.03 0.00 0.03 0.00 0.00 46.19 45.42 3fg9 s LEU 96 CO 0.24 -0.17 0.32 -0.69 0.23 0.00 0.00 176.35 176.28 3fg9 s VAL 97 N -0.06 5.21 0.52 -1.59 1.01 -1.26 -2.47 120.40 121.76 3fg9 s VAL 97 Ca 0.31 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.56 3fg9 s VAL 97 Cb 0.01 -3.70 -0.00 0.00 0.00 0.00 0.00 36.38 32.70 3fg9 s VAL 97 CO -0.18 0.09 0.01 -1.22 0.00 0.00 0.00 175.10 173.80 3fg9 n TYR 98 N 5.27 1.17 -3.78 5.22 4.01 -0.58 -5.00 117.16 123.47 3fg9 n TYR 98 Ca -0.10 -2.59 -0.12 0.00 -0.16 0.00 0.00 57.90 54.93 3fg9 n TYR 98 Cb 0.51 -0.33 -0.08 0.00 -0.31 0.00 0.00 39.34 39.12 3fg9 n TYR 98 CO 0.00 0.00 0.00 -1.83 -0.46 0.00 0.00 176.86 174.57 3fg9 s GLU 99 N -3.88 0.72 0.00 -0.72 -1.05 -1.26 -0.03 118.70 112.48 3fg9 s GLU 99 Ca 0.01 -0.41 0.00 0.00 -0.15 0.00 0.00 54.97 54.42 3fg9 s GLU 99 Cb 0.00 0.31 0.00 0.00 -0.44 0.00 0.00 34.13 34.00 3fg9 s GLU 99 CO 0.01 -0.21 0.00 0.41 0.95 0.00 0.00 175.26 176.41 3fg9 n GLY 100 N 0.89 3.22 0.11 -3.83 0.00 -0.68 -4.86 105.19 100.04 3fg9 n GLY 100 Ca -0.20 -1.09 0.12 0.00 0.00 0.00 0.00 46.02 44.85 3fg9 n GLY 100 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3fg9 h GLY 101 N 0.00 0.00 -7.52 -0.02 0.00 -1.92 -3.39 103.07 90.21 3fg9 h GLY 101 Ca 0.00 0.00 -0.65 0.00 0.00 0.00 0.00 47.33 46.68 3fg9 h GLY 101 CO 0.00 0.00 -0.66 -0.35 0.00 0.00 0.00 176.54 175.53 3fg9 s ASP 102 N -4.82 4.56 0.15 0.19 -1.08 -1.26 -2.77 116.67 111.65 3fg9 s ASP 102 Ca 0.08 -2.61 -0.11 0.00 -0.52 0.00 0.00 52.55 49.38 3fg9 s ASP 102 Cb 0.11 -1.65 0.01 0.00 -1.46 0.00 0.00 42.92 39.93 3fg9 s ASP 102 CO 0.67 -0.31 1.56 0.58 0.52 0.00 0.00 175.17 178.19 3fg9 h VAL 103 N 6.00 1.27 -0.44 1.11 2.07 -1.96 -0.79 116.25 123.51 3fg9 h VAL 103 Ca -0.06 -1.28 0.07 0.00 0.82 0.00 0.00 66.70 66.25 3fg9 h VAL 103 Cb 0.95 1.09 -0.06 0.00 -1.52 0.00 0.00 31.29 31.76 3fg9 h VAL 103 CO 0.62 0.44 0.09 0.44 0.02 0.00 0.00 177.57 179.18 3fg9 h ASP 104 N 0.80 0.01 -0.59 0.57 5.19 -1.97 -1.02 116.42 119.41 3fg9 h ASP 104 Ca 0.12 0.08 -0.09 0.00 -0.62 0.00 0.00 57.03 56.51 3fg9 h ASP 104 Cb 0.70 0.10 -0.02 0.00 0.18 0.00 0.00 39.33 40.29 3fg9 h ASP 104 CO 0.05 0.04 0.01 -0.78 -3.12 0.00 0.00 179.24 175.43 3fg9 h ASP 105 N 0.22 1.01 -0.48 6.45 3.58 -1.86 -0.63 116.42 124.70 3fg9 h ASP 105 Ca 0.22 -0.30 0.02 0.00 0.42 0.00 0.00 57.03 57.38 3fg9 h ASP 105 Cb 0.27 -0.27 -0.03 0.00 1.72 0.00 0.00 39.33 41.02 3fg9 h ASP 105 CO -0.28 1.07 0.29 0.58 -2.88 0.00 0.00 179.24 178.02 3fg9 h VAL 106 N 0.92 1.07 -0.23 2.25 2.07 -0.73 0.21 116.25 121.81 3fg9 h VAL 106 Ca 0.17 -0.20 -0.04 0.00 0.82 0.00 0.00 66.70 67.44 3fg9 h VAL 106 Cb 0.55 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 3fg9 h VAL 106 CO 0.03 0.11 -0.01 0.40 0.02 0.00 0.00 177.57 178.11 3fg9 h ILE 107 N 0.59 1.26 -0.25 4.57 2.04 -1.01 0.09 117.51 124.81 3fg9 h ILE 107 Ca 0.19 -0.94 -0.15 0.00 1.00 0.00 0.00 64.86 64.96 3fg9 h ILE 107 Cb -0.01 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 3fg9 h ILE 107 CO -0.08 0.29 -0.45 -0.07 0.00 0.00 0.00 178.15 177.84 3fg9 h LEU 108 N 0.18 0.68 0.00 1.44 3.38 -0.96 -0.65 115.31 119.39 3fg9 h LEU 108 Ca 0.06 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3fg9 h LEU 108 Cb 0.44 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3fg9 h LEU 108 CO 0.01 1.04 -1.73 -0.62 0.09 0.00 0.00 178.44 177.23 3fg9 n GLU 109 N -4.01 0.52 -0.02 1.13 -0.58 0.71 -4.42 120.64 113.97 3fg9 n GLU 109 Ca -0.02 -0.15 -0.06 0.00 -0.42 0.00 0.00 57.16 56.51 3fg9 n GLU 109 Cb 0.55 -1.39 -0.02 0.00 -0.57 0.00 0.00 31.44 30.02 3fg9 n GLU 109 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 3fg9 n GLN 110 N -2.05 0.21 -0.00 3.49 6.02 -0.10 -4.62 117.38 120.33 3fg9 n GLN 110 Ca -0.03 0.09 -0.13 0.00 -0.01 0.00 0.00 57.00 56.92 3fg9 n GLN 110 Cb 0.42 -0.87 -0.10 0.00 1.02 0.00 0.00 30.24 30.72 3fg9 n GLN 110 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3fg9 h VAL 111 N -0.39 1.35 -0.27 5.09 2.07 -1.06 -1.84 116.25 121.20 3fg9 h VAL 111 Ca -0.10 -1.17 -0.00 0.00 0.82 0.00 0.00 66.70 66.25 3fg9 h VAL 111 Cb 0.70 2.12 -0.01 0.00 -1.52 0.00 0.00 31.29 32.58 3fg9 h VAL 111 CO -0.06 0.30 0.15 0.40 0.02 0.00 0.00 177.57 178.38 3fg9 h ILE 112 N -0.54 1.12 0.00 4.57 2.04 -1.36 0.38 117.51 123.72 3fg9 h ILE 112 Ca -0.00 -0.30 -0.06 0.00 1.00 0.00 0.00 64.86 65.50 3fg9 h ILE 112 Cb 0.51 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 3fg9 h ILE 112 CO 0.00 0.11 -0.29 -0.65 0.00 0.00 0.00 178.15 177.33 3fg9 h PRO 113 N 0.32 0.00 0.06 2.37 0.11 -1.76 0.87 132.00 133.97 3fg9 h PRO 113 Ca 0.09 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.13 3fg9 h PRO 113 Cb 0.05 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.17 3fg9 h PRO 113 CO -0.02 0.29 -0.33 0.93 -0.21 0.00 0.00 178.00 178.66 3fg9 h GLU 114 N 0.00 0.12 0.00 1.05 5.08 -1.08 -3.37 114.58 116.38 3fg9 h GLU 114 Ca -0.00 -0.21 -0.11 0.00 -1.00 0.00 0.00 59.36 58.04 3fg9 h GLU 114 Cb 0.55 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 3fg9 h GLU 114 CO 0.04 1.10 -0.88 0.35 -1.00 0.00 0.00 179.01 178.62 3fg9 h PHE 115 N -0.74 0.00 -5.72 4.33 3.57 -0.96 -3.49 116.94 113.93 3fg9 h PHE 115 Ca -0.06 0.00 -0.34 0.00 3.53 0.00 0.00 57.97 61.10 3fg9 h PHE 115 Cb 1.26 0.00 0.15 0.00 2.79 0.00 0.00 35.95 40.15 3fg9 h PHE 115 CO 0.25 0.44 -0.79 1.63 -2.23 0.00 0.00 178.31 177.61 3fg9 n LYS 116 N -3.02 -6.05 -1.56 1.11 5.02 0.30 -4.99 118.16 108.97 3fg9 n LYS 116 Ca -0.03 0.81 -0.31 0.00 -2.02 0.00 0.00 58.31 56.76 3fg9 n LYS 116 Cb 0.74 -5.73 0.06 0.00 -0.02 0.00 0.00 35.03 30.07 3fg9 n LYS 116 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3fg9 s PRO 117 N -5.42 2.81 0.00 1.97 0.04 -1.26 -4.81 135.00 128.33 3fg9 s PRO 117 Ca 0.03 1.06 0.12 0.00 0.04 0.00 0.00 61.00 62.25 3fg9 s PRO 117 Cb -0.00 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.57 3fg9 s PRO 117 CO 0.75 -1.20 0.72 -0.40 0.04 0.00 0.00 177.00 176.90 3fg9 n ASP 118 N -3.06 1.40 -3.80 6.66 5.68 0.04 -4.95 116.55 118.53 3fg9 n ASP 118 Ca 0.08 -1.20 -0.16 0.00 -0.50 0.00 0.00 54.79 53.02 3fg9 n ASP 118 Cb 0.53 0.44 -0.16 0.00 -1.14 0.00 0.00 41.12 40.79 3fg9 n ASP 118 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 3fg9 s LEU 119 N -1.71 1.16 -0.18 -2.12 2.96 -1.12 -3.17 118.68 114.50 3fg9 s LEU 119 Ca 0.10 0.01 -0.06 0.00 -0.22 0.00 0.00 54.13 53.96 3fg9 s LEU 119 Cb 0.10 -0.13 -0.03 0.00 0.50 0.00 0.00 46.19 46.62 3fg9 s LEU 119 CO 0.29 -0.11 0.02 -0.22 -1.32 0.00 0.00 176.35 175.01 3fg9 s LEU 120 N 0.99 3.51 -0.10 -0.68 0.20 -0.34 -0.59 118.68 121.67 3fg9 s LEU 120 Ca -0.09 -0.06 0.01 0.00 0.69 0.00 0.00 54.13 54.68 3fg9 s LEU 120 Cb -0.13 -1.88 -0.02 0.00 -0.43 0.00 0.00 46.19 43.73 3fg9 s LEU 120 CO -0.02 0.14 -0.12 -0.69 -0.29 0.00 0.00 176.35 175.36 3fg9 s VAL 121 N 0.57 3.15 -0.02 1.68 1.01 0.45 -0.61 120.40 126.62 3fg9 s VAL 121 Ca 0.01 -0.65 -0.20 0.00 0.00 0.00 0.00 61.98 61.13 3fg9 s VAL 121 Cb -0.14 -2.30 0.04 0.00 0.00 0.00 0.00 36.38 33.99 3fg9 s VAL 121 CO 0.02 0.55 0.43 0.28 0.00 0.00 0.00 175.10 176.38 3fg9 s THR 122 N -0.08 0.04 0.59 3.92 -1.32 -0.66 -0.82 115.64 117.31 3fg9 s THR 122 Ca -0.02 -0.33 -0.18 0.00 -1.21 0.00 0.00 61.69 59.96 3fg9 s THR 122 Cb -0.14 -0.74 -0.04 0.00 -1.51 0.00 0.00 72.50 70.07 3fg9 s THR 122 CO 0.04 -0.18 1.12 -0.83 -2.21 0.00 0.00 174.62 172.56 3fg9 s GLY 123 N -1.30 2.45 0.50 6.08 0.00 -1.26 -1.01 107.32 112.78 3fg9 s GLY 123 Ca -0.13 0.72 0.34 0.00 0.00 0.00 0.00 44.72 45.65 3fg9 s GLY 123 CO 0.06 1.08 2.02 0.00 0.00 0.00 0.00 173.10 176.26 3fg9 h ALA 124 N 0.74 1.00 -0.00 3.20 0.00 -1.13 -2.41 119.26 120.65 3fg9 h ALA 124 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3fg9 h ALA 124 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3fg9 h ALA 124 CO 0.56 0.00 -0.62 -0.25 0.00 0.00 0.00 179.25 178.93 3fg9 n ASP 125 N -2.75 1.06 -4.69 0.00 8.00 -1.26 -4.79 116.55 112.11 3fg9 n ASP 125 Ca -0.01 -0.86 -0.44 0.00 0.71 0.00 0.00 54.79 54.19 3fg9 n ASP 125 Cb 0.13 0.53 -0.04 0.00 -0.02 0.00 0.00 41.12 41.72 3fg9 n ASP 125 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3fg9 n THR 126 N -1.06 0.17 -3.66 -3.53 -1.04 -0.91 -4.88 114.28 99.37 3fg9 n THR 126 Ca 0.07 -0.03 -0.15 0.00 -2.04 0.00 0.00 64.05 61.90 3fg9 n THR 126 Cb 0.36 -1.89 -0.07 0.00 -1.82 0.00 0.00 70.33 66.91 3fg9 n THR 126 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 3fg9 s GLU 127 N 1.86 0.85 -0.48 -2.82 -1.05 -1.26 -1.47 118.70 114.33 3fg9 s GLU 127 Ca 0.80 -0.08 0.03 0.00 -0.15 0.00 0.00 54.97 55.57 3fg9 s GLU 127 Cb -0.56 0.39 0.14 0.00 -0.44 0.00 0.00 34.13 33.65 3fg9 s GLU 127 CO 0.37 -0.26 0.27 -0.06 0.95 0.00 0.00 175.26 176.53 3fg9 s PHE 128 N -1.51 2.39 0.66 4.83 0.08 -1.26 -4.87 117.98 118.30 3fg9 s PHE 128 Ca -0.11 -2.69 0.43 0.00 0.12 0.00 0.00 56.93 54.68 3fg9 s PHE 128 Cb -0.03 -2.16 2.37 0.00 -0.57 0.00 0.00 43.02 42.63 3fg9 s PHE 128 CO 0.05 -0.75 2.35 -1.35 -0.10 0.00 0.00 175.22 175.42 3fg9 h PRO 129 N 6.51 0.00 0.00 0.24 0.11 -1.93 -1.07 132.00 135.85 3fg9 h PRO 129 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3fg9 h PRO 129 Cb 0.90 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.01 3fg9 h PRO 129 CO 0.55 0.00 0.00 -2.39 -0.21 0.00 0.00 178.00 175.95 3fg9 n HIS 130 N -3.13 0.89 -2.08 0.65 1.44 -1.26 -4.86 115.22 106.87 3fg9 n HIS 130 Ca -0.03 0.31 -0.29 0.00 -2.01 0.00 0.00 57.72 55.70 3fg9 n HIS 130 Cb 0.08 -1.00 0.03 0.00 0.12 0.00 0.00 29.99 29.23 3fg9 n HIS 130 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 3fg9 s SER 131 N -4.42 5.64 0.29 4.39 0.15 -0.41 -4.89 113.70 114.45 3fg9 s SER 131 Ca 0.07 1.03 0.04 0.00 0.70 0.00 0.00 55.95 57.79 3fg9 s SER 131 Cb 0.11 -1.95 0.68 0.00 -1.71 0.00 0.00 66.02 63.15 3fg9 s SER 131 CO 0.49 -1.15 1.77 0.11 1.20 0.00 0.00 173.24 175.66 3fg9 h LYS 132 N -0.42 0.72 -5.54 5.44 1.57 -1.82 -3.41 116.57 113.11 3fg9 h LYS 132 Ca -0.45 -0.04 -0.67 0.00 -1.87 0.00 0.00 60.65 57.62 3fg9 h LYS 132 Cb 1.24 -0.16 -0.27 0.00 0.08 0.00 0.00 32.23 33.12 3fg9 h LYS 132 CO 0.63 0.48 -0.78 -1.50 -0.57 0.00 0.00 179.45 177.70 3fg9 s ILE 133 N -5.89 2.91 0.30 1.86 1.10 -1.26 -5.12 121.20 115.10 3fg9 s ILE 133 Ca -0.11 -0.73 -0.10 0.00 -0.51 0.00 0.00 60.65 59.19 3fg9 s ILE 133 Cb 0.24 -2.19 -0.07 0.00 0.15 0.00 0.00 42.46 40.59 3fg9 s ILE 133 CO 0.80 0.54 0.65 0.00 -2.11 0.00 0.00 174.94 174.82 3fg9 s ALA 134 N 0.13 3.46 0.00 1.50 0.00 -1.26 -4.87 121.76 120.72 3fg9 s ALA 134 Ca -0.07 -0.22 0.00 0.00 0.00 0.00 0.00 51.96 51.66 3fg9 s ALA 134 Cb -0.15 -2.56 0.00 0.00 0.00 0.00 0.00 23.12 20.41 3fg9 s ALA 134 CO 0.05 0.31 0.00 0.41 0.00 0.00 0.00 175.76 176.53 3fg9 n GLY 135 N -0.58 0.88 3.68 0.00 0.00 -1.26 -4.99 105.19 102.92 3fg9 n GLY 135 Ca 0.01 -2.13 -0.45 0.00 0.00 0.00 0.00 46.02 43.45 3fg9 n GLY 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fg9 n ALA 136 N 0.72 1.62 0.12 4.61 0.00 -1.26 -4.55 120.51 121.77 3fg9 n ALA 136 Ca 0.00 0.35 -0.02 0.00 0.00 0.00 0.00 53.44 53.76 3fg9 n ALA 136 Cb 0.00 -2.50 0.09 0.00 0.00 0.00 0.00 19.45 17.05 3fg9 n ALA 136 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 3fg9 h ILE 137 N 4.53 1.47 -0.17 0.00 2.10 -1.58 -3.37 117.51 120.50 3fg9 h ILE 137 Ca -0.46 -2.46 0.05 0.00 1.08 0.00 0.00 64.86 63.07 3fg9 h ILE 137 Cb 1.24 2.34 -0.06 0.00 -1.09 0.00 0.00 36.82 39.25 3fg9 h ILE 137 CO 0.93 0.69 -0.24 1.23 -1.08 0.00 0.00 178.15 179.68 3fg9 h GLY 138 N 2.23 -0.22 2.00 8.18 0.00 -1.83 -0.84 103.07 112.59 3fg9 h GLY 138 Ca -0.01 0.30 -0.05 0.00 0.00 0.00 0.00 47.33 47.57 3fg9 h GLY 138 CO 0.09 -0.20 -0.23 -2.55 0.00 0.00 0.00 176.54 173.65 3fg9 h PRO 139 N -0.28 0.00 -0.44 4.80 0.11 -1.95 0.13 132.00 134.37 3fg9 h PRO 139 Ca 0.11 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.14 3fg9 h PRO 139 Cb 0.46 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.55 3fg9 h PRO 139 CO -0.34 0.23 -0.04 0.00 -0.21 0.00 0.00 178.00 177.64 3fg9 h ARG 140 N 0.00 0.80 -0.26 1.05 3.08 -1.52 -2.26 114.38 115.26 3fg9 h ARG 140 Ca -0.00 -0.28 -0.09 0.00 0.07 0.00 0.00 59.98 59.68 3fg9 h ARG 140 Cb 0.41 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 3fg9 h ARG 140 CO 0.03 0.89 -0.21 -0.07 -1.07 0.00 0.00 179.97 179.53 3fg9 h LEU 141 N 0.64 0.48 -1.47 3.04 3.38 -0.59 -0.35 115.31 120.43 3fg9 h LEU 141 Ca 0.12 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3fg9 h LEU 141 Cb 0.55 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 3fg9 h LEU 141 CO 0.03 0.70 0.21 0.00 0.09 0.00 0.00 178.44 179.47 3fg9 h ALA 142 N 1.34 1.60 0.14 1.53 0.00 -0.49 0.67 119.26 124.05 3fg9 h ALA 142 Ca 0.07 -0.08 -0.30 0.00 0.00 0.00 0.00 54.91 54.60 3fg9 h ALA 142 Cb 0.62 -0.17 0.03 0.00 0.00 0.00 0.00 17.79 18.27 3fg9 h ALA 142 CO 0.04 0.33 -1.25 -0.09 0.00 0.00 0.00 179.25 178.28 3fg9 h ARG 143 N 0.57 0.60 0.00 0.00 2.43 -0.89 -3.40 114.38 113.69 3fg9 h ARG 143 Ca 0.15 -0.83 -0.17 0.00 -0.81 0.00 0.00 59.98 58.32 3fg9 h ARG 143 Cb 0.04 0.28 -0.03 0.00 -0.42 0.00 0.00 29.97 29.84 3fg9 h ARG 143 CO -0.02 1.38 -1.84 1.63 -1.51 0.00 0.00 179.97 179.61 3fg9 n LYS 144 N -3.81 0.65 -1.87 0.20 5.02 -0.19 -4.99 118.16 113.18 3fg9 n LYS 144 Ca -0.14 0.03 -0.33 0.00 -2.02 0.00 0.00 58.31 55.85 3fg9 n LYS 144 Cb 0.99 -1.64 0.03 0.00 -0.02 0.00 0.00 35.03 34.39 3fg9 n LYS 144 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3fg9 s ALA 145 N -3.00 2.56 -2.30 7.82 0.00 0.20 -4.93 121.76 122.11 3fg9 s ALA 145 Ca -0.06 0.51 0.24 0.00 0.00 0.00 0.00 51.96 52.65 3fg9 s ALA 145 Cb 0.09 -3.29 1.00 0.00 0.00 0.00 0.00 23.12 20.92 3fg9 s ALA 145 CO 0.84 -1.11 1.69 -0.35 0.00 0.00 0.00 175.76 176.84 3fg9 n PRO 146 N -2.25 1.56 -4.58 0.00 -0.04 -1.26 -4.89 135.00 123.54 3fg9 n PRO 146 Ca 0.10 -0.83 -0.27 0.00 -0.04 0.00 0.00 63.50 62.46 3fg9 n PRO 146 Cb 0.52 -1.42 -0.10 0.00 -0.04 0.00 0.00 33.50 32.46 3fg9 n PRO 146 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3fg9 s ILE 147 N -1.90 1.31 0.42 0.52 -4.36 -1.26 -5.13 121.20 110.79 3fg9 s ILE 147 Ca 0.35 -2.00 -0.25 0.00 -0.26 0.00 0.00 60.65 58.49 3fg9 s ILE 147 Cb 0.19 -2.63 -0.08 0.00 1.25 0.00 0.00 42.46 41.18 3fg9 s ILE 147 CO 0.29 0.00 1.28 -0.44 0.24 0.00 0.00 174.94 176.31 3fg9 s SER 148 N -3.66 6.25 -0.05 4.36 0.01 -1.19 -4.92 113.70 114.50 3fg9 s SER 148 Ca 0.27 2.60 -0.00 0.00 1.31 0.00 0.00 55.95 60.13 3fg9 s SER 148 Cb 0.06 -2.63 0.02 0.00 0.21 0.00 0.00 66.02 63.69 3fg9 s SER 148 CO 0.13 -0.89 -0.02 -0.69 0.41 0.00 0.00 173.24 172.18 3fg9 s VAL 149 N -1.30 0.43 -0.17 3.43 1.01 -1.26 -1.20 120.40 121.33 3fg9 s VAL 149 Ca 0.58 0.00 -0.04 0.00 0.00 0.00 0.00 61.98 62.53 3fg9 s VAL 149 Cb -0.37 -0.52 -0.02 0.00 0.00 0.00 0.00 36.38 35.48 3fg9 s VAL 149 CO 0.47 0.23 -0.04 -0.51 0.00 0.00 0.00 175.10 175.24 3fg9 s ILE 150 N 1.35 3.71 -0.37 2.22 2.07 0.22 -4.92 121.20 125.49 3fg9 s ILE 150 Ca -0.04 -0.41 -0.12 0.00 -1.41 0.00 0.00 60.65 58.67 3fg9 s ILE 150 Cb -0.13 -2.64 0.01 0.00 0.13 0.00 0.00 42.46 39.83 3fg9 s ILE 150 CO -0.02 0.47 0.23 -0.69 -1.91 0.00 0.00 174.94 173.01 3fg9 s VAL 151 N 0.69 4.87 -0.12 4.00 1.01 -1.26 -1.66 120.40 127.94 3fg9 s VAL 151 Ca -0.02 -0.64 -0.13 0.00 0.00 0.00 0.00 61.98 61.18 3fg9 s VAL 151 Cb -0.15 -3.65 -0.05 0.00 0.00 0.00 0.00 36.38 32.54 3fg9 s VAL 151 CO 0.02 -0.18 0.31 -0.69 0.00 0.00 0.00 175.10 174.57 3fg9 s VAL 152 N 1.62 5.26 0.00 2.92 1.01 -0.18 -4.81 120.40 126.23 3fg9 s VAL 152 Ca 0.04 0.60 0.00 0.00 0.00 0.00 0.00 61.98 62.62 3fg9 s VAL 152 Cb -0.19 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.56 3fg9 s VAL 152 CO 0.08 0.45 0.45 0.54 0.00 0.00 0.00 175.10 176.62