#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hfm s VAL 2 N 0.00 0.80 0.69 3.15 1.01 -1.26 -1.43 120.40 123.36 3hfm s VAL 2 Ca 0.00 -1.06 -0.16 0.00 0.00 0.00 0.00 61.98 60.76 3hfm s VAL 2 Cb 0.00 -1.44 0.02 0.00 0.00 0.00 0.00 36.38 34.96 3hfm s VAL 2 CO 0.00 -0.45 1.20 -0.36 0.00 0.00 0.00 175.10 175.49 3hfm s PHE 3 N 1.69 2.20 -0.32 5.22 0.08 -0.51 -5.02 117.98 121.32 3hfm s PHE 3 Ca 0.04 1.57 -0.06 0.00 0.12 0.00 0.00 56.93 58.60 3hfm s PHE 3 Cb -0.17 -3.45 0.03 0.00 -0.57 0.00 0.00 43.02 38.86 3hfm s PHE 3 CO -0.17 -2.42 0.09 0.20 -0.10 0.00 0.00 175.22 172.82 3hfm s GLY 4 N -1.98 1.82 0.00 4.36 0.00 -1.26 -4.88 107.32 105.38 3hfm s GLY 4 Ca 0.74 -1.65 0.00 0.00 0.00 0.00 0.00 44.72 43.82 3hfm s GLY 4 CO 0.42 0.73 0.00 -2.13 0.00 0.00 0.00 173.10 172.12 3hfm n ARG 5 N 4.83 0.00 -0.16 2.90 0.63 -1.26 0.38 116.66 123.98 3hfm n ARG 5 Ca -0.13 0.00 -0.02 0.00 -0.92 0.00 0.00 57.85 56.78 3hfm n ARG 5 Cb 0.46 0.00 0.07 0.00 0.45 0.00 0.00 32.46 33.44 3hfm n ARG 5 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3hfm n GLU 7 N -5.06 0.00 -0.30 0.00 2.13 1.24 -1.20 120.64 117.45 3hfm n GLU 7 Ca 0.06 0.52 0.11 0.00 0.66 0.00 0.00 57.16 58.50 3hfm n GLU 7 Cb 0.23 -1.06 0.25 0.00 0.27 0.00 0.00 31.44 31.13 3hfm n GLU 7 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 3hfm h LEU 8 N 0.00 -0.27 -0.66 4.31 5.85 -1.56 0.13 115.31 123.10 3hfm h LEU 8 Ca 0.00 0.22 0.12 0.00 0.84 0.00 0.00 57.88 59.07 3hfm h LEU 8 Cb 0.00 0.37 -0.13 0.00 0.37 0.00 0.00 40.66 41.27 3hfm h LEU 8 CO 0.00 -0.23 -0.27 0.00 -0.34 0.00 0.00 178.44 177.60 3hfm h ALA 9 N 1.82 0.19 -0.21 1.25 0.00 0.24 0.24 119.26 122.80 3hfm h ALA 9 Ca 0.52 0.22 -0.07 0.00 0.00 0.00 0.00 54.91 55.58 3hfm h ALA 9 Cb 1.03 0.69 -0.00 0.00 0.00 0.00 0.00 17.79 19.50 3hfm h ALA 9 CO -0.75 -0.56 -0.16 0.00 0.00 0.00 0.00 179.25 177.79 3hfm h ALA 10 N 1.33 0.30 -0.02 0.00 0.00 0.71 -2.58 119.26 118.99 3hfm h ALA 10 Ca 0.29 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.87 3hfm h ALA 10 Cb 0.54 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 3hfm h ALA 10 CO -0.72 0.19 0.02 0.00 0.00 0.00 0.00 179.25 178.74 3hfm h ALA 11 N 0.67 1.96 0.23 0.00 0.00 -0.55 0.20 119.26 121.76 3hfm h ALA 11 Ca 0.04 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3hfm h ALA 11 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3hfm h ALA 11 CO 0.04 -0.03 -0.11 0.52 0.00 0.00 0.00 179.25 179.67 3hfm h MET 12 N 0.00 -0.30 -0.99 0.00 2.86 -0.43 -1.82 114.93 114.26 3hfm h MET 12 Ca 0.01 0.02 0.39 0.00 -2.06 0.00 0.00 59.70 58.06 3hfm h MET 12 Cb 0.04 0.07 -0.15 0.00 0.06 0.00 0.00 31.60 31.62 3hfm h MET 12 CO -0.00 -0.20 0.57 1.17 1.06 0.00 0.00 176.91 179.51 3hfm n LYS 13 N -3.21 -0.05 0.21 1.72 4.81 -0.66 0.50 118.16 121.48 3hfm n LYS 13 Ca -0.04 1.18 0.14 0.00 -0.87 0.00 0.00 58.31 58.73 3hfm n LYS 13 Cb 0.12 -2.18 0.52 0.00 0.02 0.00 0.00 35.03 33.51 3hfm n LYS 13 CO 0.00 0.00 0.00 -0.09 1.17 0.00 0.00 177.40 178.48 3hfm h ARG 14 N 0.00 0.00 -0.55 1.64 2.43 -0.46 -2.55 114.38 114.89 3hfm h ARG 14 Ca 0.76 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.93 3hfm h ARG 14 Cb 2.15 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.70 3hfm h ARG 14 CO -0.59 0.00 0.00 0.72 -1.51 0.00 0.00 179.97 178.59 3hfm n HIS 15 N -2.75 1.63 -3.48 2.20 8.25 1.86 -4.99 115.22 117.94 3hfm n HIS 15 Ca 0.02 -0.70 -0.25 0.00 -0.26 0.00 0.00 57.72 56.53 3hfm n HIS 15 Cb 0.33 -0.36 0.02 0.00 1.12 0.00 0.00 29.99 31.10 3hfm n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hfm n GLY 16 N 0.66 -0.74 0.00 -1.41 0.00 -0.96 -4.94 105.19 97.80 3hfm n GLY 16 Ca 0.26 0.89 0.00 0.00 0.00 0.00 0.00 46.02 47.16 3hfm n GLY 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hfm n LEU 17 N -1.31 0.00 -4.58 0.99 4.77 -1.26 -4.76 117.00 110.86 3hfm n LEU 17 Ca -0.14 -0.21 -0.41 0.00 -0.03 0.00 0.00 56.01 55.22 3hfm n LEU 17 Cb 0.64 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.70 3hfm n LEU 17 CO 0.58 0.00 1.45 -0.62 -1.33 0.00 0.00 177.39 177.47 3hfm s ASP 18 N -0.81 5.79 -0.05 -1.43 2.15 -1.26 -1.45 116.67 119.62 3hfm s ASP 18 Ca 0.00 0.66 0.00 0.00 0.43 0.00 0.00 52.55 53.64 3hfm s ASP 18 Cb 0.00 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.09 3hfm s ASP 18 CO 0.00 -1.91 0.00 0.59 -0.17 0.00 0.00 175.17 173.68 3hfm n ASN 19 N 10.77 -3.09 -4.63 -0.34 3.02 -0.29 -4.82 115.26 115.89 3hfm n ASN 19 Ca 0.19 0.01 -0.43 0.00 -0.03 0.00 0.00 54.58 54.32 3hfm n ASN 19 Cb 0.49 -0.62 -0.03 0.00 -0.61 0.00 0.00 39.78 39.01 3hfm n ASN 19 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3hfm s TYR 20 N -2.00 1.24 -1.48 3.10 5.04 -0.53 -2.19 117.35 120.52 3hfm s TYR 20 Ca 0.00 0.08 -0.04 0.00 -2.44 0.00 0.00 57.07 54.66 3hfm s TYR 20 Cb 0.00 -4.08 0.01 0.00 0.35 0.00 0.00 41.96 38.24 3hfm s TYR 20 CO 0.00 -4.75 0.16 -2.13 -1.34 0.00 0.00 175.55 167.48 3hfm n ARG 21 N 8.18 -1.26 0.00 4.97 0.63 -1.26 -2.12 116.66 125.79 3hfm n ARG 21 Ca 0.25 0.15 0.00 0.00 -0.92 0.00 0.00 57.85 57.33 3hfm n ARG 21 Cb 0.43 -3.63 0.00 0.00 0.45 0.00 0.00 32.46 29.71 3hfm n ARG 21 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3hfm n GLY 22 N -2.42 3.32 3.54 5.14 0.00 -0.93 -5.06 105.19 108.77 3hfm n GLY 22 Ca -0.30 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.32 3hfm n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hfm s TYR 23 N -2.90 3.22 0.43 1.61 2.02 -0.90 -4.87 117.35 115.96 3hfm s TYR 23 Ca 0.00 -0.14 -0.23 0.00 -0.37 0.00 0.00 57.07 56.33 3hfm s TYR 23 Cb 0.00 -2.54 -0.11 0.00 -0.40 0.00 0.00 41.96 38.91 3hfm s TYR 23 CO 0.00 -0.38 0.76 0.45 -1.57 0.00 0.00 175.55 174.81 3hfm n SER 24 N 5.19 0.08 -0.29 2.29 2.88 -1.26 -1.14 113.62 121.38 3hfm n SER 24 Ca -0.11 0.96 0.10 0.00 -1.33 0.00 0.00 58.87 58.48 3hfm n SER 24 Cb 0.50 -1.22 0.24 0.00 -0.75 0.00 0.00 64.21 62.97 3hfm n SER 24 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 3hfm h LEU 25 N 1.08 -0.22 -0.95 2.46 5.85 -1.88 -1.51 115.31 120.14 3hfm h LEU 25 Ca -0.42 0.21 0.20 0.00 0.84 0.00 0.00 57.88 58.71 3hfm h LEU 25 Cb 1.37 0.33 -0.18 0.00 0.37 0.00 0.00 40.66 42.56 3hfm h LEU 25 CO 0.54 -0.20 -0.20 0.61 -0.34 0.00 0.00 178.44 178.84 3hfm n GLY 26 N -1.42 -1.56 0.35 3.75 0.00 -1.26 -0.12 105.19 104.93 3hfm n GLY 26 Ca 0.18 1.01 0.18 0.00 0.00 0.00 0.00 46.02 47.39 3hfm n GLY 26 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3hfm h ASN 27 N 0.00 0.00 0.00 1.61 2.35 -1.57 0.66 115.58 118.63 3hfm h ASN 27 Ca 0.47 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 56.17 3hfm h ASN 27 Cb 0.76 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.12 3hfm h ASN 27 CO -0.97 0.00 -0.43 -0.50 -1.65 0.00 0.00 177.43 173.88 3hfm h TRP 28 N 0.00 0.00 -0.80 1.19 4.06 -0.68 -2.74 115.95 116.98 3hfm h TRP 28 Ca 0.08 0.00 0.13 0.00 2.06 0.00 0.00 58.89 61.16 3hfm h TRP 28 Cb 0.64 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 28.74 3hfm h TRP 28 CO 0.00 0.53 0.53 0.28 -3.56 0.00 0.00 178.44 176.21 3hfm h VAL 29 N -1.00 0.85 0.29 1.49 2.07 -1.30 -1.80 116.25 116.86 3hfm h VAL 29 Ca -0.08 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 3hfm h VAL 29 Cb 0.64 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 3hfm h VAL 29 CO -0.05 0.11 -0.14 0.00 0.02 0.00 0.00 177.57 177.51 3hfm h ALA 31 N -0.88 1.35 0.00 0.00 0.00 -1.16 0.21 119.26 118.77 3hfm h ALA 31 Ca -0.04 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.65 3hfm h ALA 31 Cb 0.41 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 3hfm h ALA 31 CO 0.07 -0.31 -1.61 0.00 0.00 0.00 0.00 179.25 177.39 3hfm n ALA 32 N -1.94 1.81 -1.00 0.00 0.00 -0.71 -2.62 120.51 116.05 3hfm n ALA 32 Ca -0.02 -0.68 0.00 0.00 0.00 0.00 0.00 53.44 52.75 3hfm n ALA 32 Cb 0.35 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 18.96 3hfm n ALA 32 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3hfm n LYS 33 N -2.89 0.00 -0.20 0.00 3.00 0.71 -1.35 118.16 117.43 3hfm n LYS 33 Ca -0.14 0.01 0.30 0.00 -0.00 0.00 0.00 58.31 58.49 3hfm n LYS 33 Cb 0.92 -0.95 0.71 0.00 0.00 0.00 0.00 35.03 35.70 3hfm n LYS 33 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.40 178.14 3hfm h PHE 34 N 0.00 0.00 -0.02 5.64 -1.00 -1.68 0.64 116.94 120.52 3hfm h PHE 34 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 3hfm h PHE 34 Cb 0.00 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.56 3hfm h PHE 34 CO 0.00 0.00 -0.24 -1.91 -1.61 0.00 0.00 178.31 174.55 3hfm n GLU 35 N -3.91 1.48 0.00 1.51 4.07 -1.08 -4.70 120.64 118.02 3hfm n GLU 35 Ca 0.21 -1.13 0.00 0.00 -0.06 0.00 0.00 57.16 56.18 3hfm n GLU 35 Cb 1.13 -1.48 0.00 0.00 -0.06 0.00 0.00 31.44 31.04 3hfm n GLU 35 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 3hfm n SER 36 N 0.22 0.00 -1.50 4.31 3.41 -0.45 -4.61 113.62 115.00 3hfm n SER 36 Ca 0.12 -0.56 -0.16 0.00 -0.26 0.00 0.00 58.87 58.01 3hfm n SER 36 Cb 0.46 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.37 3hfm n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3hfm n ASN 37 N 0.00 -4.92 -1.68 4.04 2.85 0.22 -1.50 115.26 114.27 3hfm n ASN 37 Ca 0.00 0.23 -0.13 0.00 -0.11 0.00 0.00 54.58 54.57 3hfm n ASN 37 Cb 0.14 -3.93 0.01 0.00 1.24 0.00 0.00 39.78 37.25 3hfm n ASN 37 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 3hfm n PHE 38 N -3.14 -0.93 -3.87 1.20 3.72 -1.00 -4.84 117.46 108.60 3hfm n PHE 38 Ca -0.18 0.18 -0.34 0.00 -0.05 0.00 0.00 57.45 57.06 3hfm n PHE 38 Cb 0.58 -2.95 -0.13 0.00 -0.94 0.00 0.00 39.48 36.05 3hfm n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 3hfm s ASN 39 N -2.67 5.05 0.41 4.37 2.47 -0.56 -1.43 114.94 122.58 3hfm s ASN 39 Ca 0.11 -1.92 0.21 0.00 0.42 0.00 0.00 52.86 51.68 3hfm s ASN 39 Cb -0.05 -1.75 1.18 0.00 -1.45 0.00 0.00 41.25 39.18 3hfm s ASN 39 CO 0.13 -0.44 1.74 0.71 -3.72 0.00 0.00 177.10 175.52 3hfm h THR 40 N 6.46 0.44 0.00 -5.21 1.35 -1.54 -1.47 112.91 112.93 3hfm h THR 40 Ca -0.12 -0.11 -0.07 0.00 -0.55 0.00 0.00 66.41 65.56 3hfm h THR 40 Cb 1.04 0.09 -0.01 0.00 -1.73 0.00 0.00 68.15 67.54 3hfm h THR 40 CO 0.62 0.06 -0.34 1.56 -0.25 0.00 0.00 175.52 177.17 3hfm h GLN 41 N 0.32 0.00 -4.38 4.72 4.20 -1.76 -3.23 115.11 114.99 3hfm h GLN 41 Ca 0.64 0.00 -0.45 0.00 0.06 0.00 0.00 58.65 58.90 3hfm h GLN 41 Cb 1.74 0.00 0.12 0.00 0.30 0.00 0.00 27.48 29.64 3hfm h GLN 41 CO -0.32 0.34 -0.72 0.00 -0.67 0.00 0.00 178.83 177.46 3hfm n ALA 42 N -2.23 -2.57 -3.63 3.87 0.00 -0.55 -4.66 120.51 110.74 3hfm n ALA 42 Ca 0.01 0.06 -0.05 0.00 0.00 0.00 0.00 53.44 53.46 3hfm n ALA 42 Cb 0.56 -1.07 -0.06 0.00 0.00 0.00 0.00 19.45 18.88 3hfm n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3hfm s THR 43 N -1.27 -0.12 -0.12 0.00 -4.23 -1.26 -2.67 115.64 105.97 3hfm s THR 43 Ca 0.43 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 60.90 3hfm s THR 43 Cb -0.45 -1.00 0.06 0.00 1.34 0.00 0.00 72.50 72.45 3hfm s THR 43 CO 0.46 0.00 0.23 0.20 -0.54 0.00 0.00 174.62 174.98 3hfm s ASN 44 N 1.73 0.43 0.63 3.99 0.02 -1.26 -4.95 114.94 115.53 3hfm s ASN 44 Ca -0.09 0.52 -0.17 0.00 -1.02 0.00 0.00 52.86 52.10 3hfm s ASN 44 Cb -0.05 0.57 -0.02 0.00 0.02 0.00 0.00 41.25 41.77 3hfm s ASN 44 CO -0.19 -0.24 1.14 -0.60 0.02 0.00 0.00 177.10 177.24 3hfm s ARG 45 N 2.32 2.90 -0.22 -0.60 6.06 -1.26 -1.16 118.95 126.99 3hfm s ARG 45 Ca 0.01 1.55 -0.04 0.00 -2.50 0.00 0.00 55.73 54.75 3hfm s ARG 45 Cb -0.12 -1.95 -0.01 0.00 0.06 0.00 0.00 34.95 32.93 3hfm s ARG 45 CO -0.08 -1.20 -0.04 -0.80 -2.50 0.00 0.00 175.30 170.68 3hfm s ASN 46 N -2.17 4.29 0.19 -2.12 0.01 0.56 -4.88 114.94 110.82 3hfm s ASN 46 Ca 0.71 -0.39 0.10 0.00 -0.71 0.00 0.00 52.86 52.57 3hfm s ASN 46 Cb -0.24 -1.74 0.67 0.00 0.41 0.00 0.00 41.25 40.36 3hfm s ASN 46 CO 0.37 -0.02 0.80 1.07 -1.51 0.00 0.00 177.10 177.81 3hfm n THR 47 N 4.79 -0.21 0.00 1.60 5.66 -1.26 0.75 114.28 125.60 3hfm n THR 47 Ca -0.18 1.04 0.00 0.00 -3.05 0.00 0.00 64.05 61.85 3hfm n THR 47 Cb 0.51 -1.68 0.00 0.00 -1.55 0.00 0.00 70.33 67.61 3hfm n THR 47 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 3hfm n ASP 48 N -4.17 0.00 0.00 1.09 5.75 -1.26 -4.66 116.55 113.29 3hfm n ASP 48 Ca 0.19 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.97 3hfm n ASP 48 Cb 0.64 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.73 3hfm n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hfm n GLY 49 N -0.21 1.91 3.96 6.12 0.00 0.23 -5.02 105.19 112.17 3hfm n GLY 49 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 3hfm n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hfm s SER 50 N -3.44 4.52 0.04 1.61 1.04 -0.29 -4.66 113.70 112.52 3hfm s SER 50 Ca 0.00 0.08 0.01 0.00 0.48 0.00 0.00 55.95 56.52 3hfm s SER 50 Cb 0.00 -0.61 -0.03 0.00 0.10 0.00 0.00 66.02 65.49 3hfm s SER 50 CO 0.00 -1.76 -0.05 -0.89 0.98 0.00 0.00 173.24 171.53 3hfm s THR 51 N -3.21 0.31 0.31 2.02 2.01 -1.26 0.21 115.64 116.02 3hfm s THR 51 Ca 0.63 -1.20 0.07 0.00 0.31 0.00 0.00 61.69 61.50 3hfm s THR 51 Cb -0.08 -0.69 -0.02 0.00 0.01 0.00 0.00 72.50 71.72 3hfm s THR 51 CO 0.45 -0.58 0.39 -1.81 -0.69 0.00 0.00 174.62 172.38 3hfm s ASP 52 N -1.87 5.83 -0.25 3.53 1.11 -0.31 -1.08 116.67 123.63 3hfm s ASP 52 Ca -0.08 -0.22 -0.08 0.00 0.18 0.00 0.00 52.55 52.35 3hfm s ASP 52 Cb -0.06 -1.29 0.11 0.00 1.07 0.00 0.00 42.92 42.76 3hfm s ASP 52 CO -0.02 -0.32 0.53 -0.31 1.18 0.00 0.00 175.17 176.23 3hfm s TYR 53 N -2.17 -1.08 0.00 4.23 2.02 -0.51 -4.12 117.35 115.72 3hfm s TYR 53 Ca 0.41 1.90 0.00 0.00 -0.37 0.00 0.00 57.07 59.01 3hfm s TYR 53 Cb -0.08 0.55 0.00 0.00 -0.40 0.00 0.00 41.96 42.02 3hfm s TYR 53 CO 0.29 -0.59 0.00 0.41 -1.57 0.00 0.00 175.55 174.09 3hfm n GLY 54 N 5.42 -1.49 0.34 0.71 0.00 -1.09 -2.07 105.19 107.02 3hfm n GLY 54 Ca -0.10 -1.23 -0.04 0.00 0.00 0.00 0.00 46.02 44.66 3hfm n GLY 54 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3hfm n ILE 55 N -0.80 -0.50 -0.35 -0.61 5.41 -1.26 0.01 119.36 121.26 3hfm n ILE 55 Ca 0.00 2.05 0.12 0.00 1.00 0.00 0.00 62.75 65.92 3hfm n ILE 55 Cb 0.00 -2.65 0.33 0.00 -0.71 0.00 0.00 39.64 36.61 3hfm n ILE 55 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 3hfm n LEU 56 N -5.20 3.99 -3.47 1.39 7.99 -1.26 -4.25 117.00 116.19 3hfm n LEU 56 Ca 0.06 -2.00 -0.34 0.00 -0.01 0.00 0.00 56.01 53.73 3hfm n LEU 56 Cb 0.30 -0.50 0.03 0.00 -0.11 0.00 0.00 43.42 43.15 3hfm n LEU 56 CO -0.13 0.96 -0.23 0.00 -1.51 0.00 0.00 177.39 176.49 3hfm n GLN 57 N 1.60 -1.92 -2.58 3.23 1.13 0.10 -4.91 117.38 114.03 3hfm n GLN 57 Ca 0.25 1.42 -0.37 0.00 -1.94 0.00 0.00 57.00 56.36 3hfm n GLN 57 Cb 0.64 -2.52 -0.04 0.00 0.11 0.00 0.00 30.24 28.43 3hfm n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3hfm s ILE 58 N -1.81 3.78 0.56 5.09 1.09 -0.88 -4.57 121.20 124.46 3hfm s ILE 58 Ca 0.32 1.43 -0.06 0.00 -1.10 0.00 0.00 60.65 61.24 3hfm s ILE 58 Cb -0.04 -3.77 -0.01 0.00 -1.06 0.00 0.00 42.46 37.58 3hfm s ILE 58 CO 0.87 0.08 0.87 0.21 -0.10 0.00 0.00 174.94 176.87 3hfm s ASN 59 N -1.49 5.88 0.00 3.58 3.04 -1.26 -1.42 114.94 123.27 3hfm s ASN 59 Ca 0.55 0.86 0.28 0.00 0.04 0.00 0.00 52.86 54.59 3hfm s ASN 59 Cb -0.23 -1.97 1.19 0.00 -1.54 0.00 0.00 41.25 38.71 3hfm s ASN 59 CO 0.29 -0.88 1.82 -1.20 -3.04 0.00 0.00 177.10 174.09 3hfm n SER 60 N -2.49 1.23 0.00 -4.21 7.64 -0.24 -2.75 113.62 112.79 3hfm n SER 60 Ca 0.03 -1.42 0.00 0.00 1.01 0.00 0.00 58.87 58.49 3hfm n SER 60 Cb 0.56 -0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 3hfm n SER 60 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 3hfm n ARG 61 N -0.04 0.00 -0.01 1.43 0.63 -1.26 -4.64 116.66 112.77 3hfm n ARG 61 Ca 0.20 0.00 0.13 0.00 -0.92 0.00 0.00 57.85 57.26 3hfm n ARG 61 Cb 0.31 -0.12 0.66 0.00 0.45 0.00 0.00 32.46 33.76 3hfm n ARG 61 CO 0.00 0.00 0.00 0.91 -2.51 0.00 0.00 177.63 176.03 3hfm n TRP 62 N -0.34 0.03 0.00 -0.14 8.01 -1.25 -0.91 117.44 122.84 3hfm n TRP 62 Ca 0.00 -0.02 0.00 0.00 -1.31 0.00 0.00 57.50 56.17 3hfm n TRP 62 Cb 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.30 3hfm n TRP 62 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.69 177.59 3hfm n TRP 63 N -0.41 0.00 -4.08 -5.99 7.02 -1.19 -2.58 117.44 110.21 3hfm n TRP 63 Ca 0.19 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.59 3hfm n TRP 63 Cb 0.21 0.00 -0.09 0.00 -2.42 0.00 0.00 31.31 29.00 3hfm n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3hfm s ASN 65 N -2.98 5.67 0.04 0.00 3.84 -1.16 -4.48 114.94 115.86 3hfm s ASN 65 Ca 0.16 -0.93 0.23 0.00 0.21 0.00 0.00 52.86 52.53 3hfm s ASN 65 Cb 0.07 -2.01 0.07 0.00 -0.55 0.00 0.00 41.25 38.83 3hfm s ASN 65 CO -0.03 -0.35 1.05 -0.90 -2.79 0.00 0.00 177.10 174.08 3hfm n ASP 66 N 4.98 0.64 -3.26 -4.21 5.68 -1.26 -3.40 116.55 115.71 3hfm n ASP 66 Ca -0.12 -0.31 -0.18 0.00 -0.50 0.00 0.00 54.79 53.68 3hfm n ASP 66 Cb 0.46 0.77 0.08 0.00 -1.14 0.00 0.00 41.12 41.29 3hfm n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hfm n GLY 67 N 1.40 -0.34 0.00 6.12 0.00 -1.26 -4.80 105.19 106.31 3hfm n GLY 67 Ca 0.03 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3hfm n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3hfm n ARG 68 N -4.16 0.00 -3.73 1.61 1.85 -1.26 -5.05 116.66 105.92 3hfm n ARG 68 Ca -0.16 -0.09 -0.16 0.00 -1.00 0.00 0.00 57.85 56.44 3hfm n ARG 68 Cb 0.62 -0.14 -0.16 0.00 -1.05 0.00 0.00 32.46 31.72 3hfm n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 3hfm s THR 69 N 0.00 -0.09 -0.11 8.89 2.01 -1.26 -4.85 115.64 120.24 3hfm s THR 69 Ca 0.00 0.28 -0.05 0.00 0.31 0.00 0.00 61.69 62.22 3hfm s THR 69 Cb 0.00 -0.14 -0.26 0.00 0.01 0.00 0.00 72.50 72.10 3hfm s THR 69 CO 0.00 0.11 0.42 1.55 -0.69 0.00 0.00 174.62 176.01 3hfm h PRO 70 N 7.66 0.25 -0.88 4.92 0.13 -1.95 -3.36 132.00 138.77 3hfm h PRO 70 Ca -0.34 -0.42 0.19 0.00 -0.87 0.00 0.00 66.00 64.55 3hfm h PRO 70 Cb 1.12 0.16 -0.06 0.00 0.13 0.00 0.00 31.00 32.35 3hfm h PRO 70 CO 0.36 1.15 0.58 0.78 -0.23 0.00 0.00 178.00 180.64 3hfm h GLY 71 N 1.32 0.85 0.00 1.56 0.00 -1.94 -3.45 103.07 101.41 3hfm h GLY 71 Ca -0.40 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 46.74 3hfm h GLY 71 CO 0.09 0.01 0.00 -1.26 0.00 0.00 0.00 176.54 175.38 3hfm n SER 72 N -4.51 0.00 -3.60 0.19 2.88 -1.26 -4.93 113.62 102.40 3hfm n SER 72 Ca 0.18 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.43 3hfm n SER 72 Cb 0.66 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.97 3hfm n SER 72 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hfm s ARG 73 N 0.00 0.38 -1.19 -1.46 1.70 -0.09 -5.04 118.95 113.25 3hfm s ARG 73 Ca 0.00 -0.75 -0.18 0.00 -0.47 0.00 0.00 55.73 54.33 3hfm s ARG 73 Cb 0.00 -1.44 -0.03 0.00 -0.57 0.00 0.00 34.95 32.91 3hfm s ARG 73 CO 0.00 -1.02 2.02 -1.71 -1.08 0.00 0.00 175.30 173.51 3hfm n ASN 74 N 5.06 3.56 -0.35 -2.89 4.05 -1.26 -3.19 115.26 120.23 3hfm n ASN 74 Ca -0.04 -2.79 0.02 0.00 0.45 0.00 0.00 54.58 52.22 3hfm n ASN 74 Cb 0.42 -1.52 0.18 0.00 1.23 0.00 0.00 39.78 40.09 3hfm n ASN 74 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 3hfm h LEU 75 N 12.45 1.02 -1.42 1.20 3.38 -1.61 -1.35 115.31 128.98 3hfm h LEU 75 Ca 0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.44 3hfm h LEU 75 Cb 0.72 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3hfm h LEU 75 CO 1.76 0.67 0.00 0.00 0.09 0.00 0.00 178.44 180.96 3hfm n ASN 77 N 0.29 0.00 -4.71 0.00 3.02 -0.51 -4.86 115.26 108.49 3hfm n ASN 77 Ca 0.10 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.30 3hfm n ASN 77 Cb 0.39 -0.41 -0.09 0.00 -0.61 0.00 0.00 39.78 39.06 3hfm n ASN 77 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 3hfm s ILE 78 N -0.69 4.45 -0.06 2.41 1.10 -1.26 -5.05 121.20 122.10 3hfm s ILE 78 Ca 0.00 -0.19 -0.30 0.00 -0.51 0.00 0.00 60.65 59.65 3hfm s ILE 78 Cb 0.00 -2.88 -0.03 0.00 0.15 0.00 0.00 42.46 39.70 3hfm s ILE 78 CO 0.00 0.61 1.22 -2.16 -2.11 0.00 0.00 174.94 172.50 3hfm s PRO 79 N -0.90 4.34 0.33 3.50 0.04 -1.26 -3.00 135.00 138.05 3hfm s PRO 79 Ca 0.13 1.69 0.11 0.00 0.04 0.00 0.00 61.00 62.98 3hfm s PRO 79 Cb -0.11 -3.57 1.03 0.00 0.04 0.00 0.00 34.50 31.88 3hfm s PRO 79 CO 0.02 -0.47 1.61 0.00 0.04 0.00 0.00 177.00 178.20 3hfm n SER 81 N -5.25 -0.57 -0.11 0.00 3.41 -1.26 0.27 113.62 110.12 3hfm n SER 81 Ca 0.30 1.23 0.15 0.00 -0.26 0.00 0.00 58.87 60.29 3hfm n SER 81 Cb 0.98 -0.26 0.23 0.00 -0.26 0.00 0.00 64.21 64.89 3hfm n SER 81 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hfm n ALA 82 N -3.19 0.54 0.38 7.33 0.00 0.28 0.34 120.51 126.19 3hfm n ALA 82 Ca 0.01 0.18 0.12 0.00 0.00 0.00 0.00 53.44 53.75 3hfm n ALA 82 Cb 0.14 -0.32 0.13 0.00 0.00 0.00 0.00 19.45 19.40 3hfm n ALA 82 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3hfm h LEU 83 N 0.00 0.00 -0.26 0.00 3.38 0.38 -3.35 115.31 115.45 3hfm h LEU 83 Ca 0.27 -0.11 -0.17 0.00 0.09 0.00 0.00 57.88 57.96 3hfm h LEU 83 Cb 1.65 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.37 3hfm h LEU 83 CO -0.00 0.05 -0.82 -0.07 0.09 0.00 0.00 178.44 177.69 3hfm h LEU 84 N 0.00 0.00 -6.52 1.67 4.07 0.57 -3.36 115.31 111.74 3hfm h LEU 84 Ca 0.00 0.00 -0.36 0.00 0.08 0.00 0.00 57.88 57.60 3hfm h LEU 84 Cb 0.86 0.00 0.19 0.00 1.08 0.00 0.00 40.66 42.78 3hfm h LEU 84 CO 0.00 0.82 -1.86 -0.24 -1.08 0.00 0.00 178.44 176.08 3hfm n SER 85 N -3.48 -2.64 0.11 -0.43 2.88 -1.25 -4.03 113.62 104.79 3hfm n SER 85 Ca -0.00 0.03 -0.01 0.00 -1.33 0.00 0.00 58.87 57.55 3hfm n SER 85 Cb 0.81 -0.40 0.02 0.00 -0.75 0.00 0.00 64.21 63.89 3hfm n SER 85 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 3hfm h SER 86 N -0.72 0.00 -3.73 -3.46 0.02 -1.92 -3.43 113.55 100.31 3hfm h SER 86 Ca -0.29 0.00 -0.63 0.00 -0.84 0.00 0.00 61.79 60.03 3hfm h SER 86 Cb 1.00 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.39 3hfm h SER 86 CO 0.16 0.71 -0.26 -0.62 -1.14 0.00 0.00 176.83 175.67 3hfm s ASP 87 N -6.60 6.22 0.00 3.07 -1.08 -1.26 -4.96 116.67 112.06 3hfm s ASP 87 Ca 0.02 0.18 0.25 0.00 -0.52 0.00 0.00 52.55 52.48 3hfm s ASP 87 Cb 0.09 -2.20 1.05 0.00 -1.46 0.00 0.00 42.92 40.41 3hfm s ASP 87 CO 0.77 -0.20 1.73 2.30 0.52 0.00 0.00 175.17 180.29 3hfm n ILE 88 N 5.14 0.07 -0.24 4.11 -5.35 -1.26 -4.29 119.36 117.54 3hfm n ILE 88 Ca -0.09 -0.23 -0.12 0.00 -0.27 0.00 0.00 62.75 62.04 3hfm n ILE 88 Cb 0.51 0.26 -0.09 0.00 -1.74 0.00 0.00 39.64 38.58 3hfm n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 3hfm h THR 89 N 1.81 0.00 -0.69 7.28 2.02 -1.94 0.29 112.91 121.68 3hfm h THR 89 Ca 0.00 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.24 3hfm h THR 89 Cb 0.39 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.72 3hfm h THR 89 CO 0.00 0.00 -0.41 0.00 0.37 0.00 0.00 175.52 175.48 3hfm n ALA 90 N -3.13 -0.44 -0.20 6.16 0.00 -1.26 -0.71 120.51 120.94 3hfm n ALA 90 Ca -0.01 0.59 -0.03 0.00 0.00 0.00 0.00 53.44 53.99 3hfm n ALA 90 Cb 0.28 0.03 0.08 0.00 0.00 0.00 0.00 19.45 19.84 3hfm n ALA 90 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3hfm h SER 91 N 0.00 0.43 0.25 0.00 0.02 -1.51 -2.21 113.55 110.54 3hfm h SER 91 Ca 0.11 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.08 3hfm h SER 91 Cb 0.28 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.78 3hfm h SER 91 CO -0.65 0.29 -0.12 0.58 -1.14 0.00 0.00 176.83 175.79 3hfm h VAL 92 N 0.57 0.00 -0.71 2.27 2.07 0.24 -1.24 116.25 119.45 3hfm h VAL 92 Ca 0.26 -0.02 0.12 0.00 0.82 0.00 0.00 66.70 67.88 3hfm h VAL 92 Cb 0.18 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 29.82 3hfm h VAL 92 CO -0.18 0.00 -0.24 0.59 0.02 0.00 0.00 177.57 177.76 3hfm n ASN 93 N -2.96 -0.39 -0.09 0.57 3.02 0.11 0.28 115.26 115.80 3hfm n ASN 93 Ca -0.04 1.24 -0.09 0.00 -0.03 0.00 0.00 54.58 55.66 3hfm n ASN 93 Cb 0.13 -0.31 0.06 0.00 -0.61 0.00 0.00 39.78 39.05 3hfm n ASN 93 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hfm h ALA 95 N 1.01 -1.12 -1.44 0.00 0.00 0.52 0.19 119.26 118.40 3hfm h ALA 95 Ca 0.09 -0.17 0.44 0.00 0.00 0.00 0.00 54.91 55.26 3hfm h ALA 95 Cb 0.80 0.55 -0.08 0.00 0.00 0.00 0.00 17.79 19.06 3hfm h ALA 95 CO 0.07 -1.12 1.01 1.63 0.00 0.00 0.00 179.25 180.84 3hfm n LYS 96 N -4.74 -0.01 0.00 0.00 5.02 0.18 0.09 118.16 118.70 3hfm n LYS 96 Ca -0.10 0.91 -0.19 0.00 -2.02 0.00 0.00 58.31 56.91 3hfm n LYS 96 Cb 0.37 -2.01 -0.14 0.00 -0.02 0.00 0.00 35.03 33.23 3hfm n LYS 96 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 3hfm h LYS 97 N 0.00 0.19 0.67 1.97 1.63 -0.39 -3.35 116.57 117.29 3hfm h LYS 97 Ca 0.74 -0.33 -0.03 0.00 -0.85 0.00 0.00 60.65 60.18 3hfm h LYS 97 Cb 2.81 0.12 0.00 0.00 -0.60 0.00 0.00 32.23 34.56 3hfm h LYS 97 CO -0.12 1.16 -0.36 0.82 -3.45 0.00 0.00 179.45 177.49 3hfm h ILE 98 N -0.56 0.00 0.00 2.00 2.04 0.16 -2.84 117.51 118.30 3hfm h ILE 98 Ca -0.15 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.71 3hfm h ILE 98 Cb 1.48 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.56 3hfm h ILE 98 CO 0.07 0.00 0.16 0.55 0.00 0.00 0.00 178.15 178.93 3hfm n VAL 99 N -4.70 0.33 0.03 1.67 3.14 -0.96 -1.48 118.33 116.36 3hfm n VAL 99 Ca -0.12 0.24 0.06 0.00 -2.96 0.00 0.00 64.34 61.56 3hfm n VAL 99 Cb 0.39 -1.24 0.25 0.00 -1.06 0.00 0.00 33.84 32.18 3hfm n VAL 99 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 3hfm n SER 100 N -0.91 3.53 -2.92 6.55 7.64 -1.07 -4.17 113.62 122.26 3hfm n SER 100 Ca 0.00 -2.35 -0.23 0.00 1.01 0.00 0.00 58.87 57.30 3hfm n SER 100 Cb 0.16 -0.50 -0.02 0.00 -1.01 0.00 0.00 64.21 62.84 3hfm n SER 100 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3hfm n ASP 101 N 0.66 3.18 0.00 6.43 5.68 -0.55 -4.98 116.55 126.97 3hfm n ASP 101 Ca 0.18 -3.41 0.00 0.00 -0.50 0.00 0.00 54.79 51.06 3hfm n ASP 101 Cb 0.68 -0.56 0.00 0.00 -1.14 0.00 0.00 41.12 40.10 3hfm n ASP 101 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hfm n GLY 102 N -0.11 0.28 0.03 6.12 0.00 -1.26 -4.36 105.19 105.89 3hfm n GLY 102 Ca 0.28 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.39 3hfm n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hfm n ASN 103 N 0.00 0.94 0.00 1.61 3.02 -1.26 -4.98 115.26 114.58 3hfm n ASN 103 Ca 0.00 -0.97 0.00 0.00 -0.03 0.00 0.00 54.58 53.58 3hfm n ASN 103 Cb 0.00 0.96 0.00 0.00 -0.61 0.00 0.00 39.78 40.13 3hfm n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hfm n GLY 104 N 1.42 1.32 0.00 7.41 0.00 -1.26 0.36 105.19 114.44 3hfm n GLY 104 Ca 0.04 0.11 0.08 0.00 0.00 0.00 0.00 46.02 46.24 3hfm n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3hfm n MET 105 N 8.03 0.10 0.00 1.61 2.81 -1.26 -2.77 117.12 125.64 3hfm n MET 105 Ca 0.00 0.19 0.05 0.00 -1.81 0.00 0.00 57.70 56.13 3hfm n MET 105 Cb 0.00 -1.50 0.25 0.00 -0.71 0.00 0.00 33.22 31.26 3hfm n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3hfm n ASN 106 N -1.41 0.00 0.17 7.83 3.02 1.13 -0.32 115.26 125.68 3hfm n ASN 106 Ca 0.05 0.46 0.03 0.00 -0.03 0.00 0.00 54.58 55.10 3hfm n ASN 106 Cb 0.16 -0.48 0.31 0.00 -0.61 0.00 0.00 39.78 39.16 3hfm n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hfm h ALA 107 N 2.40 1.13 -2.49 5.41 0.00 -1.42 -3.39 119.26 120.90 3hfm h ALA 107 Ca 0.00 -0.40 -0.65 0.00 0.00 0.00 0.00 54.91 53.86 3hfm h ALA 107 Cb 0.19 -0.07 -0.15 0.00 0.00 0.00 0.00 17.79 17.75 3hfm h ALA 107 CO 0.00 0.55 -0.09 -1.58 0.00 0.00 0.00 179.25 178.13 3hfm s TRP 108 N -3.83 3.19 0.02 0.00 0.51 0.56 -4.97 118.94 114.41 3hfm s TRP 108 Ca -0.01 0.17 -0.24 0.00 -2.12 0.00 0.00 56.10 53.90 3hfm s TRP 108 Cb 0.13 -2.86 -0.13 0.00 -0.81 0.00 0.00 33.47 29.79 3hfm s TRP 108 CO 0.72 -0.50 1.10 -0.24 -0.51 0.00 0.00 176.95 177.52 3hfm h VAL 109 N 5.58 0.00 -1.01 4.03 3.04 -1.81 0.54 116.25 126.62 3hfm h VAL 109 Ca -0.28 -0.22 0.30 0.00 -1.01 0.00 0.00 66.70 65.49 3hfm h VAL 109 Cb 1.13 0.00 -0.14 0.00 -2.01 0.00 0.00 31.29 30.27 3hfm h VAL 109 CO 0.75 0.00 0.58 0.00 -1.01 0.00 0.00 177.57 177.89 3hfm h ALA 110 N -1.38 1.93 -0.46 3.17 0.00 -1.92 3.04 119.26 123.64 3hfm h ALA 110 Ca -0.09 0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 3hfm h ALA 110 Cb 0.67 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 3hfm h ALA 110 CO 0.15 -0.50 0.10 2.35 0.00 0.00 0.00 179.25 181.34 3hfm h TRP 111 N 0.39 0.78 -0.22 0.00 7.01 -1.83 0.58 115.95 122.65 3hfm h TRP 111 Ca 0.71 -0.10 -0.13 0.00 2.11 0.00 0.00 58.89 61.49 3hfm h TRP 111 Cb 1.57 -0.22 -0.00 0.00 -2.10 0.00 0.00 29.16 28.41 3hfm h TRP 111 CO -0.01 0.72 -0.36 -0.09 -2.79 0.00 0.00 178.44 175.91 3hfm h ARG 112 N 0.61 0.62 0.08 2.65 2.43 0.50 3.61 114.38 124.88 3hfm h ARG 112 Ca 0.14 -0.38 -0.00 0.00 -0.81 0.00 0.00 59.98 58.93 3hfm h ARG 112 Cb 0.34 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 3hfm h ARG 112 CO 0.00 0.99 -0.04 -0.91 -1.51 0.00 0.00 179.97 178.51 3hfm h ASN 113 N 0.32 -0.09 0.00 -3.80 -0.26 0.47 -3.42 115.58 108.81 3hfm h ASN 113 Ca 0.02 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.76 3hfm h ASN 113 Cb 0.95 0.02 0.00 0.00 -1.06 0.00 0.00 38.32 38.23 3hfm h ASN 113 CO 0.08 0.33 -1.99 0.54 -1.06 0.00 0.00 177.43 175.33 3hfm n ARG 114 N -4.48 0.66 -0.02 0.81 1.74 0.18 -4.80 116.66 110.76 3hfm n ARG 114 Ca -0.01 -0.20 -0.01 0.00 -0.77 0.00 0.00 57.85 56.86 3hfm n ARG 114 Cb 0.04 -1.52 -0.00 0.00 -1.02 0.00 0.00 32.46 29.96 3hfm n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hfm n LYS 116 N -2.79 0.00 -2.27 0.00 4.81 1.19 -2.46 118.16 116.64 3hfm n LYS 116 Ca -0.02 0.00 -0.16 0.00 -0.87 0.00 0.00 58.31 57.27 3hfm n LYS 116 Cb 0.06 -0.22 -0.02 0.00 0.02 0.00 0.00 35.03 34.87 3hfm n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3hfm n GLY 117 N 0.30 -0.17 3.85 3.14 0.00 -1.26 -4.99 105.19 106.05 3hfm n GLY 117 Ca 0.03 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.84 3hfm n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hfm s THR 118 N -2.71 4.24 -0.47 2.61 -4.23 -1.03 -4.99 115.64 109.06 3hfm s THR 118 Ca 0.00 -1.34 -0.27 0.00 -1.18 0.00 0.00 61.69 58.89 3hfm s THR 118 Cb 0.00 -3.38 -0.02 0.00 1.34 0.00 0.00 72.50 70.44 3hfm s THR 118 CO 0.00 -0.29 1.86 -0.62 -0.54 0.00 0.00 174.62 175.03 3hfm s ASP 119 N -3.91 5.51 0.39 3.99 2.15 -1.26 -4.73 116.67 118.80 3hfm s ASP 119 Ca 0.36 0.83 0.20 0.00 0.43 0.00 0.00 52.55 54.37 3hfm s ASP 119 Cb -0.07 -2.53 0.28 0.00 -0.30 0.00 0.00 42.92 40.30 3hfm s ASP 119 CO 0.26 -2.10 1.57 -0.37 -0.17 0.00 0.00 175.17 174.36 3hfm h VAL 120 N 6.90 0.32 -1.35 1.11 -1.51 -1.94 -3.13 116.25 116.65 3hfm h VAL 120 Ca -0.29 -1.42 0.47 0.00 -1.23 0.00 0.00 66.70 64.22 3hfm h VAL 120 Cb 1.17 2.13 -0.14 0.00 -2.13 0.00 0.00 31.29 32.32 3hfm h VAL 120 CO 1.13 0.18 0.86 1.56 -1.23 0.00 0.00 177.57 180.07 3hfm h GLN 121 N 0.00 0.02 -0.01 5.19 4.20 -1.94 0.50 115.11 123.08 3hfm h GLN 121 Ca -0.00 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3hfm h GLN 121 Cb 1.12 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.89 3hfm h GLN 121 CO 0.02 0.01 -0.00 0.00 -0.67 0.00 0.00 178.83 178.19 3hfm n ALA 122 N -2.51 -0.00 -0.42 3.87 0.00 -1.18 -0.02 120.51 120.25 3hfm n ALA 122 Ca 0.40 0.01 0.37 0.00 0.00 0.00 0.00 53.44 54.21 3hfm n ALA 122 Cb 1.54 0.40 0.63 0.00 0.00 0.00 0.00 19.45 22.02 3hfm n ALA 122 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 3hfm n TRP 123 N -2.83 0.81 -1.36 0.00 7.02 0.18 -0.11 117.44 121.15 3hfm n TRP 123 Ca 0.00 0.82 -0.15 0.00 -1.02 0.00 0.00 57.50 57.15 3hfm n TRP 123 Cb 0.00 -1.24 0.18 0.00 -2.42 0.00 0.00 31.31 27.83 3hfm n TRP 123 CO 0.00 0.00 0.00 0.44 -2.02 0.00 0.00 177.69 176.11 3hfm n ILE 124 N -4.80 2.90 -4.13 -0.99 -5.35 0.97 -4.83 119.36 103.14 3hfm n ILE 124 Ca 0.38 -2.39 -0.35 0.00 -0.27 0.00 0.00 62.75 60.12 3hfm n ILE 124 Cb 1.44 -0.43 -0.09 0.00 -1.74 0.00 0.00 39.64 38.82 3hfm n ILE 124 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 3hfm s ARG 125 N -3.30 3.57 0.00 6.28 3.00 0.85 -4.26 118.95 125.08 3hfm s ARG 125 Ca 0.51 -0.34 0.00 0.00 0.00 0.00 0.00 55.73 55.90 3hfm s ARG 125 Cb 0.45 -3.06 0.00 0.00 0.00 0.00 0.00 34.95 32.34 3hfm s ARG 125 CO 0.05 0.48 0.00 0.41 0.00 0.00 0.00 175.30 176.24 3hfm n GLY 126 N 2.86 0.91 3.86 -3.53 0.00 -1.26 -5.04 105.19 103.00 3hfm n GLY 126 Ca -0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 3hfm n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hfm n ARG 128 N -2.31 3.79 0.00 0.00 3.00 -1.26 -5.17 116.66 114.72 3hfm n ARG 128 Ca 0.06 -4.66 0.13 0.00 -0.01 0.00 0.00 57.85 53.36 3hfm n ARG 128 Cb 0.54 -2.38 0.31 0.00 0.00 0.00 0.00 32.46 30.94 3hfm n ARG 128 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91