#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sfb s VAL 2 N 0.00 1.53 0.18 3.15 1.01 -1.26 -4.65 120.40 120.36 1sfb s VAL 2 Ca 0.00 -2.14 -0.19 0.00 0.00 0.00 0.00 61.98 59.64 1sfb s VAL 2 Cb 0.00 -2.12 -0.08 0.00 0.00 0.00 0.00 36.38 34.19 1sfb s VAL 2 CO 0.00 -0.73 0.68 -0.36 0.00 0.00 0.00 175.10 174.69 1sfb s PHE 3 N 0.90 3.69 0.71 5.22 0.40 -1.16 -5.06 117.98 122.68 1sfb s PHE 3 Ca 0.13 1.35 -0.03 0.00 -0.60 0.00 0.00 56.93 57.78 1sfb s PHE 3 Cb -0.21 -2.58 0.11 0.00 0.51 0.00 0.00 43.02 40.85 1sfb s PHE 3 CO -0.11 0.41 0.99 0.20 0.70 0.00 0.00 175.22 177.40 1sfb s GLY 4 N -1.53 1.76 0.06 4.36 0.00 -1.26 -4.79 107.32 105.93 1sfb s GLY 4 Ca 0.39 -1.46 -0.38 0.00 0.00 0.00 0.00 44.72 43.28 1sfb s GLY 4 CO 0.21 -0.95 1.57 -0.09 0.00 0.00 0.00 173.10 173.83 1sfb h ARG 5 N -0.54 -1.27 -0.40 2.90 2.43 -1.98 -2.63 114.38 112.89 1sfb h ARG 5 Ca -0.40 0.09 -0.07 0.00 -0.81 0.00 0.00 59.98 58.80 1sfb h ARG 5 Cb 1.28 0.29 -0.01 0.00 -0.42 0.00 0.00 29.97 31.10 1sfb h ARG 5 CO 0.46 -0.85 -0.01 0.00 -1.51 0.00 0.00 179.97 178.06 1sfb n GLU 7 N -4.44 0.51 -0.04 0.00 -0.58 -1.23 -1.11 120.64 113.74 1sfb n GLU 7 Ca -0.01 0.04 0.05 0.00 -0.42 0.00 0.00 57.16 56.82 1sfb n GLU 7 Cb 0.29 -1.50 0.07 0.00 -0.57 0.00 0.00 31.44 29.73 1sfb n GLU 7 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1sfb n LEU 8 N -1.11 2.16 -0.08 -4.62 0.00 -0.99 -4.74 117.00 107.62 1sfb n LEU 8 Ca 0.13 -1.26 -0.12 0.00 0.00 0.00 0.00 56.01 54.76 1sfb n LEU 8 Cb 0.10 -0.06 -0.07 0.00 0.00 0.00 0.00 43.42 43.40 1sfb n LEU 8 CO 0.13 0.46 -1.01 0.00 0.00 0.00 0.00 177.39 176.97 1sfb n ALA 9 N 0.57 1.71 0.17 1.96 0.00 -0.27 -4.67 120.51 119.99 1sfb n ALA 9 Ca 0.08 -0.65 0.11 0.00 0.00 0.00 0.00 53.44 52.97 1sfb n ALA 9 Cb 0.31 0.17 0.60 0.00 0.00 0.00 0.00 19.45 20.52 1sfb n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sfb h ALA 10 N -0.08 1.03 0.00 0.00 0.00 -1.82 -2.53 119.26 115.86 1sfb h ALA 10 Ca -0.35 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1sfb h ALA 10 Cb 1.51 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.30 1sfb h ALA 10 CO -0.08 -0.03 -0.06 0.00 0.00 0.00 0.00 179.25 179.08 1sfb h ALA 11 N 1.90 1.14 -0.40 0.00 0.00 -1.88 -2.99 119.26 117.03 1sfb h ALA 11 Ca 0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1sfb h ALA 11 Cb 0.08 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1sfb h ALA 11 CO 0.00 0.08 0.14 0.52 0.00 0.00 0.00 179.25 179.99 1sfb h MET 12 N 0.00 0.60 0.00 0.00 2.86 -1.80 0.58 114.93 117.18 1sfb h MET 12 Ca -0.00 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 1sfb h MET 12 Cb 0.31 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.87 1sfb h MET 12 CO 0.01 0.58 0.00 -0.22 1.06 0.00 0.00 176.91 178.34 1sfb h LYS 13 N 0.49 0.00 0.00 1.72 3.64 -1.77 0.44 116.57 121.09 1sfb h LYS 13 Ca 0.13 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.29 1sfb h LYS 13 Cb 0.22 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.00 1sfb h LYS 13 CO -0.01 0.00 -1.14 -0.09 -2.27 0.00 0.00 179.45 175.94 1sfb h ARG 14 N 0.00 0.00 -0.59 1.90 2.43 -1.02 -3.32 114.38 113.78 1sfb h ARG 14 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1sfb h ARG 14 Cb 0.18 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 1sfb h ARG 14 CO 0.00 0.85 0.00 0.72 -1.51 0.00 0.00 179.97 180.03 1sfb n HIS 15 N -3.27 0.97 -0.96 2.20 8.25 0.12 -4.94 115.22 117.58 1sfb n HIS 15 Ca -0.04 -0.54 0.00 0.00 -0.26 0.00 0.00 57.72 56.88 1sfb n HIS 15 Cb 0.95 -0.08 0.00 0.00 1.12 0.00 0.00 29.99 31.98 1sfb n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1sfb n GLY 16 N 1.13 0.42 0.10 -1.41 0.00 0.04 -4.95 105.19 100.52 1sfb n GLY 16 Ca 0.21 -0.94 0.12 0.00 0.00 0.00 0.00 46.02 45.42 1sfb n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1sfb h LEU 17 N 0.00 0.00 -9.31 0.99 3.38 -0.76 -3.41 115.31 106.19 1sfb h LEU 17 Ca 0.00 -0.08 -0.55 0.00 0.09 0.00 0.00 57.88 57.34 1sfb h LEU 17 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1sfb h LEU 17 CO 0.00 0.04 0.92 -0.62 0.09 0.00 0.00 178.44 178.87 1sfb s ASP 18 N -4.57 6.80 -1.41 -0.43 2.15 -1.25 -2.31 116.67 115.65 1sfb s ASP 18 Ca 0.08 2.10 -0.06 0.00 0.43 0.00 0.00 52.55 55.10 1sfb s ASP 18 Cb 0.12 -2.55 0.04 0.00 -0.30 0.00 0.00 42.92 40.23 1sfb s ASP 18 CO 0.66 -0.79 0.85 0.59 -0.17 0.00 0.00 175.17 176.31 1sfb n ASN 19 N 6.04 -3.00 -4.48 -0.34 3.02 -1.25 -4.67 115.26 110.58 1sfb n ASN 19 Ca 0.14 -0.79 -0.33 0.00 -0.03 0.00 0.00 54.58 53.58 1sfb n ASN 19 Cb 0.43 -4.03 -0.13 0.00 -0.61 0.00 0.00 39.78 35.44 1sfb n ASN 19 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1sfb s TYR 20 N -3.49 2.82 -1.33 3.10 5.04 -0.06 -4.68 117.35 118.75 1sfb s TYR 20 Ca 0.32 -0.25 -0.01 0.00 -2.44 0.00 0.00 57.07 54.69 1sfb s TYR 20 Cb -0.16 -1.74 0.00 0.00 0.35 0.00 0.00 41.96 40.42 1sfb s TYR 20 CO 0.82 0.10 0.67 -2.13 -1.34 0.00 0.00 175.55 173.66 1sfb n ARG 21 N 2.71 -4.70 -0.06 4.97 0.63 -1.26 -1.74 116.66 117.21 1sfb n ARG 21 Ca -0.18 0.59 0.00 0.00 -0.92 0.00 0.00 57.85 57.34 1sfb n ARG 21 Cb 0.53 -5.10 0.00 0.00 0.45 0.00 0.00 32.46 28.34 1sfb n ARG 21 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1sfb n GLY 22 N -1.64 2.27 3.50 5.14 0.00 -1.26 -4.89 105.19 108.31 1sfb n GLY 22 Ca -0.29 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.35 1sfb n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1sfb s TYR 23 N -2.64 3.16 0.64 1.61 2.02 -0.71 -5.06 117.35 116.37 1sfb s TYR 23 Ca 0.00 -0.26 -0.16 0.00 -0.37 0.00 0.00 57.07 56.28 1sfb s TYR 23 Cb 0.00 -2.33 -0.01 0.00 -0.40 0.00 0.00 41.96 39.22 1sfb s TYR 23 CO 0.00 -0.31 1.11 0.45 -1.57 0.00 0.00 175.55 175.22 1sfb s SER 24 N 1.67 5.25 0.29 2.29 0.15 -1.26 -0.88 113.70 121.20 1sfb s SER 24 Ca 0.06 2.00 0.03 0.00 0.70 0.00 0.00 55.95 58.75 1sfb s SER 24 Cb -0.16 -2.55 0.70 0.00 -1.71 0.00 0.00 66.02 62.30 1sfb s SER 24 CO 0.07 -1.54 1.70 0.25 1.20 0.00 0.00 173.24 174.93 1sfb h LEU 25 N 0.21 0.35 -1.11 3.45 6.46 -1.82 -2.77 115.31 120.07 1sfb h LEU 25 Ca -0.47 0.15 -0.09 0.00 -0.12 0.00 0.00 57.88 57.35 1sfb h LEU 25 Cb 1.25 0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 41.28 1sfb h LEU 25 CO 0.55 0.02 -0.38 1.23 -0.62 0.00 0.00 178.44 179.24 1sfb h GLY 26 N 0.43 0.13 1.24 3.75 0.00 -1.89 -2.89 103.07 103.84 1sfb h GLY 26 Ca 0.55 -0.11 0.09 0.00 0.00 0.00 0.00 47.33 47.85 1sfb h GLY 26 CO -0.51 0.10 0.29 3.43 0.00 0.00 0.00 176.54 179.86 1sfb h ASN 27 N 0.10 0.00 0.11 0.19 2.35 -1.82 -2.71 115.58 113.80 1sfb h ASN 27 Ca 0.01 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.54 1sfb h ASN 27 Cb 0.72 0.00 0.02 0.00 0.05 0.00 0.00 38.32 39.11 1sfb h ASN 27 CO 0.05 0.00 -0.93 -0.50 -1.65 0.00 0.00 177.43 174.40 1sfb h TRP 28 N 0.00 0.73 -0.19 1.19 4.06 -1.67 -3.40 115.95 116.68 1sfb h TRP 28 Ca 0.15 -0.48 0.00 0.00 2.06 0.00 0.00 58.89 60.62 1sfb h TRP 28 Cb 0.73 -0.05 -0.01 0.00 -1.00 0.00 0.00 29.16 28.83 1sfb h TRP 28 CO 0.00 1.34 0.12 0.28 -3.56 0.00 0.00 178.44 176.61 1sfb h VAL 29 N -0.08 1.06 -1.02 1.49 2.07 -1.59 -3.07 116.25 115.12 1sfb h VAL 29 Ca -0.15 -0.13 0.26 0.00 0.82 0.00 0.00 66.70 67.50 1sfb h VAL 29 Cb 1.67 0.81 -0.11 0.00 -1.52 0.00 0.00 31.29 32.14 1sfb h VAL 29 CO 0.18 0.06 0.62 0.00 0.02 0.00 0.00 177.57 178.45 1sfb h ALA 31 N 1.69 1.72 -0.35 0.00 0.00 -1.77 -2.76 119.26 117.80 1sfb h ALA 31 Ca 0.63 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 55.49 1sfb h ALA 31 Cb 1.34 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 1sfb h ALA 31 CO -0.42 0.19 0.24 0.00 0.00 0.00 0.00 179.25 179.27 1sfb h ALA 32 N 1.85 2.21 -0.48 0.00 0.00 -0.42 1.53 119.26 123.95 1sfb h ALA 32 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1sfb h ALA 32 Cb 0.28 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1sfb h ALA 32 CO 0.02 -0.30 0.00 1.17 0.00 0.00 0.00 179.25 180.14 1sfb n LYS 33 N -4.46 2.18 -0.00 0.00 4.81 -1.04 -2.45 118.16 117.20 1sfb n LYS 33 Ca 0.05 -1.83 0.01 0.00 -0.87 0.00 0.00 58.31 55.67 1sfb n LYS 33 Cb 0.36 -1.41 0.01 0.00 0.02 0.00 0.00 35.03 34.01 1sfb n LYS 33 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 1sfb n PHE 34 N 0.99 0.00 -0.03 5.64 3.72 0.48 -4.33 117.46 123.93 1sfb n PHE 34 Ca 0.17 -0.03 -0.05 0.00 -0.05 0.00 0.00 57.45 57.49 1sfb n PHE 34 Cb 0.44 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.95 1sfb n PHE 34 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1sfb n GLU 35 N 0.03 0.17 0.00 -1.08 -0.58 0.12 -4.87 120.64 114.43 1sfb n GLU 35 Ca 0.01 0.04 0.00 0.00 -0.42 0.00 0.00 57.16 56.79 1sfb n GLU 35 Cb 0.05 -1.10 0.00 0.00 -0.57 0.00 0.00 31.44 29.82 1sfb n GLU 35 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1sfb n SER 36 N -2.77 0.00 -3.46 1.62 7.64 -1.17 -4.77 113.62 110.71 1sfb n SER 36 Ca -0.12 -1.00 -0.20 0.00 1.01 0.00 0.00 58.87 58.55 1sfb n SER 36 Cb 0.63 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.89 1sfb n SER 36 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1sfb n ASN 37 N 0.00 -4.61 -3.00 6.43 5.15 -1.03 -2.52 115.26 115.69 1sfb n ASN 37 Ca 0.00 -0.79 -0.22 0.00 -0.60 0.00 0.00 54.58 52.97 1sfb n ASN 37 Cb 0.30 -4.57 0.03 0.00 -0.53 0.00 0.00 39.78 35.01 1sfb n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1sfb n PHE 38 N -3.78 -1.93 -3.88 1.20 3.72 -1.17 -4.95 117.46 106.67 1sfb n PHE 38 Ca -0.15 0.50 -0.23 0.00 -0.05 0.00 0.00 57.45 57.52 1sfb n PHE 38 Cb 0.63 -4.44 -0.17 0.00 -0.94 0.00 0.00 39.48 34.56 1sfb n PHE 38 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 1sfb s ASN 39 N -2.67 1.48 0.00 4.37 0.02 -1.05 -3.01 114.94 114.08 1sfb s ASN 39 Ca 0.29 -0.12 0.19 0.00 -1.02 0.00 0.00 52.86 52.20 1sfb s ASN 39 Cb -0.13 -0.49 0.79 0.00 0.02 0.00 0.00 41.25 41.44 1sfb s ASN 39 CO 0.36 -0.15 1.55 0.35 0.02 0.00 0.00 177.10 179.23 1sfb n THR 40 N 4.84 0.16 0.97 1.60 -2.24 -1.26 -3.07 114.28 115.29 1sfb n THR 40 Ca -0.12 -0.25 0.12 0.00 -2.27 0.00 0.00 64.05 61.53 1sfb n THR 40 Cb 0.50 0.17 0.17 0.00 -2.10 0.00 0.00 70.33 69.07 1sfb n THR 40 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sfb n GLN 41 N 0.00 2.27 -3.00 -0.78 6.02 -1.26 -3.34 117.38 117.29 1sfb n GLN 41 Ca 0.15 -1.86 -0.41 0.00 -0.01 0.00 0.00 57.00 54.87 1sfb n GLN 41 Cb 0.24 -1.47 -0.05 0.00 1.02 0.00 0.00 30.24 29.98 1sfb n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1sfb s ALA 42 N -1.93 3.61 -0.09 -1.58 0.00 -1.21 -4.98 121.76 115.59 1sfb s ALA 42 Ca 0.31 -0.25 -0.18 0.00 0.00 0.00 0.00 51.96 51.84 1sfb s ALA 42 Cb 0.20 -3.14 0.04 0.00 0.00 0.00 0.00 23.12 20.22 1sfb s ALA 42 CO 0.31 -0.81 0.43 0.95 0.00 0.00 0.00 175.76 176.63 1sfb s THR 43 N 2.54 0.02 0.16 0.00 -4.23 -1.26 -3.97 115.64 108.90 1sfb s THR 43 Ca 0.31 -0.19 -0.13 0.00 -1.18 0.00 0.00 61.69 60.50 1sfb s THR 43 Cb -0.16 -0.68 0.01 0.00 1.34 0.00 0.00 72.50 73.01 1sfb s THR 43 CO 0.08 -0.10 0.36 0.20 -0.54 0.00 0.00 174.62 174.62 1sfb s ASN 44 N -0.62 -0.08 0.63 3.99 0.02 -1.26 -4.98 114.94 112.64 1sfb s ASN 44 Ca -0.07 -0.64 -0.01 0.00 -1.02 0.00 0.00 52.86 51.11 1sfb s ASN 44 Cb -0.03 0.47 0.09 0.00 0.02 0.00 0.00 41.25 41.80 1sfb s ASN 44 CO 0.04 -0.92 0.58 -1.14 0.02 0.00 0.00 177.10 175.68 1sfb n ARG 45 N -0.24 0.10 -4.26 -0.60 0.63 -1.26 0.30 116.66 111.34 1sfb n ARG 45 Ca -0.10 -1.49 -0.18 0.00 -0.92 0.00 0.00 57.85 55.16 1sfb n ARG 45 Cb 0.63 -0.42 -0.08 0.00 0.45 0.00 0.00 32.46 33.04 1sfb n ARG 45 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 1sfb s ASN 46 N -3.34 1.36 0.00 6.15 3.84 0.36 -4.66 114.94 118.66 1sfb s ASN 46 Ca 0.38 -1.68 0.08 0.00 0.21 0.00 0.00 52.86 51.85 1sfb s ASN 46 Cb -0.02 0.53 0.50 0.00 -0.55 0.00 0.00 41.25 41.71 1sfb s ASN 46 CO 0.25 -1.03 0.98 0.41 -2.79 0.00 0.00 177.10 174.92 1sfb n THR 47 N -0.56 0.00 0.11 -5.21 -1.04 -1.26 0.20 114.28 106.52 1sfb n THR 47 Ca 0.06 0.00 0.09 0.00 -2.04 0.00 0.00 64.05 62.16 1sfb n THR 47 Cb 0.63 -0.46 -0.13 0.00 -1.82 0.00 0.00 70.33 68.55 1sfb n THR 47 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1sfb n ASP 48 N -0.73 1.00 0.00 8.00 5.68 -1.26 -5.00 116.55 124.24 1sfb n ASP 48 Ca 0.06 -0.13 0.00 0.00 -0.50 0.00 0.00 54.79 54.22 1sfb n ASP 48 Cb 0.03 1.68 0.00 0.00 -1.14 0.00 0.00 41.12 41.69 1sfb n ASP 48 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1sfb n GLY 49 N 1.50 1.81 3.78 6.12 0.00 0.53 -5.04 105.19 113.90 1sfb n GLY 49 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 1sfb n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sfb s SER 50 N -2.45 6.63 0.32 1.61 1.04 -1.26 -4.35 113.70 115.24 1sfb s SER 50 Ca 0.00 2.14 -0.00 0.00 0.48 0.00 0.00 55.95 58.57 1sfb s SER 50 Cb 0.00 -2.59 -0.04 0.00 0.10 0.00 0.00 66.02 63.49 1sfb s SER 50 CO 0.00 -0.58 0.52 -0.89 0.98 0.00 0.00 173.24 173.27 1sfb s THR 51 N -1.59 5.11 0.32 2.02 2.01 -1.26 0.14 115.64 122.38 1sfb s THR 51 Ca 0.58 -0.42 0.07 0.00 0.31 0.00 0.00 61.69 62.24 1sfb s THR 51 Cb -0.25 -3.83 -0.03 0.00 0.01 0.00 0.00 72.50 68.40 1sfb s THR 51 CO 0.31 -0.48 0.29 -1.81 -0.69 0.00 0.00 174.62 172.23 1sfb s ASP 52 N -3.84 5.42 -0.10 3.53 1.01 0.88 0.79 116.67 124.36 1sfb s ASP 52 Ca 0.40 -0.41 -0.03 0.00 0.71 0.00 0.00 52.55 53.22 1sfb s ASP 52 Cb -0.10 -1.10 0.05 0.00 1.01 0.00 0.00 42.92 42.78 1sfb s ASP 52 CO 0.34 -0.29 0.13 -0.31 0.21 0.00 0.00 175.17 175.26 1sfb s TYR 53 N -2.25 -0.07 0.00 4.23 1.51 0.75 -4.29 117.35 117.22 1sfb s TYR 53 Ca 0.39 0.35 0.00 0.00 -1.01 0.00 0.00 57.07 56.80 1sfb s TYR 53 Cb -0.07 -0.39 0.00 0.00 -0.11 0.00 0.00 41.96 41.39 1sfb s TYR 53 CO 0.27 -0.32 0.00 0.41 -1.11 0.00 0.00 175.55 174.80 1sfb n GLY 54 N 5.31 -2.24 0.27 0.71 0.00 -1.26 -1.61 105.19 106.38 1sfb n GLY 54 Ca -0.05 -1.52 0.12 0.00 0.00 0.00 0.00 46.02 44.57 1sfb n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1sfb h ILE 55 N 0.00 0.72 -0.06 -0.61 2.10 -1.54 0.87 117.51 118.98 1sfb h ILE 55 Ca 0.00 -0.17 -0.06 0.00 1.08 0.00 0.00 64.86 65.71 1sfb h ILE 55 Cb 0.00 1.10 -0.01 0.00 -1.09 0.00 0.00 36.82 36.82 1sfb h ILE 55 CO 0.00 0.04 -0.23 -0.07 -1.08 0.00 0.00 178.15 176.82 1sfb h LEU 56 N 0.00 0.10 -1.36 2.19 3.38 -1.85 -3.22 115.31 114.54 1sfb h LEU 56 Ca -0.00 -0.02 -0.38 0.00 0.09 0.00 0.00 57.88 57.57 1sfb h LEU 56 Cb 0.10 -0.03 0.12 0.00 0.09 0.00 0.00 40.66 40.95 1sfb h LEU 56 CO 0.01 0.34 -0.75 0.00 0.09 0.00 0.00 178.44 178.12 1sfb n GLN 57 N -4.23 -6.68 -3.13 1.13 1.13 0.30 -4.93 117.38 100.97 1sfb n GLN 57 Ca -0.02 0.78 -0.39 0.00 -1.94 0.00 0.00 57.00 55.44 1sfb n GLN 57 Cb 0.31 -5.73 -0.05 0.00 0.11 0.00 0.00 30.24 24.88 1sfb n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1sfb s ILE 58 N -3.39 4.90 0.02 5.09 1.01 -0.64 -4.33 121.20 123.87 1sfb s ILE 58 Ca 0.24 1.35 -0.28 0.00 0.00 0.00 0.00 60.65 61.96 1sfb s ILE 58 Cb -0.11 -3.99 -0.04 0.00 0.01 0.00 0.00 42.46 38.33 1sfb s ILE 58 CO 0.75 0.37 0.90 0.54 0.00 0.00 0.00 174.94 177.51 1sfb s ASN 59 N 0.04 7.31 0.00 3.58 4.22 -1.25 0.27 114.94 129.11 1sfb s ASN 59 Ca 0.34 1.58 0.13 0.00 -2.14 0.00 0.00 52.86 52.77 1sfb s ASN 59 Cb -0.19 -2.53 0.62 0.00 1.28 0.00 0.00 41.25 40.43 1sfb s ASN 59 CO 0.18 -0.15 1.40 -1.54 -2.04 0.00 0.00 177.10 174.95 1sfb n SER 60 N 3.47 0.00 -0.02 3.54 3.41 0.24 -2.86 113.62 121.39 1sfb n SER 60 Ca 0.03 0.31 -0.16 0.00 -0.26 0.00 0.00 58.87 58.79 1sfb n SER 60 Cb 0.51 -0.40 -0.12 0.00 -0.26 0.00 0.00 64.21 63.93 1sfb n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1sfb h ARG 61 N 0.00 0.17 0.00 4.33 2.43 -1.82 -3.36 114.38 116.13 1sfb h ARG 61 Ca 0.00 -0.21 -0.37 0.00 -0.81 0.00 0.00 59.98 58.59 1sfb h ARG 61 Cb 0.18 0.07 -0.07 0.00 -0.42 0.00 0.00 29.97 29.73 1sfb h ARG 61 CO 0.00 0.99 -2.40 0.91 -1.51 0.00 0.00 179.97 177.97 1sfb n TRP 62 N -4.45 0.00 -0.13 2.20 7.02 -1.24 -2.96 117.44 117.88 1sfb n TRP 62 Ca -0.10 0.00 -0.23 0.00 -1.02 0.00 0.00 57.50 56.15 1sfb n TRP 62 Cb 0.56 -0.98 -0.10 0.00 -2.42 0.00 0.00 31.31 28.37 1sfb n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1sfb n TRP 63 N -2.94 0.00 -4.21 -5.99 7.02 -1.14 -2.08 117.44 108.10 1sfb n TRP 63 Ca -0.38 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.01 1sfb n TRP 63 Cb 1.08 -0.92 -0.03 0.00 -2.42 0.00 0.00 31.31 29.02 1sfb n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1sfb s ASN 65 N -1.93 5.29 -0.01 0.00 2.47 -1.26 -4.59 114.94 114.92 1sfb s ASN 65 Ca 0.05 -1.77 0.15 0.00 0.42 0.00 0.00 52.86 51.71 1sfb s ASN 65 Cb 0.00 -1.85 -0.18 0.00 -1.45 0.00 0.00 41.25 37.77 1sfb s ASN 65 CO 0.04 -0.50 0.55 -0.90 -3.72 0.00 0.00 177.10 172.57 1sfb n ASP 66 N 4.68 0.92 0.00 -4.21 5.75 -1.26 -4.17 116.55 118.25 1sfb n ASP 66 Ca -0.06 -0.62 0.00 0.00 -0.01 0.00 0.00 54.79 54.10 1sfb n ASP 66 Cb 0.42 1.19 0.00 0.00 -1.03 0.00 0.00 41.12 41.70 1sfb n ASP 66 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1sfb n GLY 67 N 1.43 2.77 0.16 6.12 0.00 -1.26 -4.78 105.19 109.63 1sfb n GLY 67 Ca 0.01 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.18 1sfb n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1sfb n ARG 68 N -2.00 1.22 -3.52 1.61 1.85 -1.26 -4.46 116.66 110.10 1sfb n ARG 68 Ca 0.00 -0.33 -0.42 0.00 -1.00 0.00 0.00 57.85 56.11 1sfb n ARG 68 Cb 0.00 -1.46 -0.08 0.00 -1.05 0.00 0.00 32.46 29.87 1sfb n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1sfb s THR 69 N -1.99 4.39 0.42 8.89 2.01 -1.26 -5.08 115.64 123.02 1sfb s THR 69 Ca 0.42 -1.66 -0.22 0.00 0.31 0.00 0.00 61.69 60.54 1sfb s THR 69 Cb 0.20 -3.83 -0.11 0.00 0.01 0.00 0.00 72.50 68.77 1sfb s THR 69 CO 0.33 -0.74 0.95 -2.84 -0.69 0.00 0.00 174.62 171.64 1sfb s PRO 70 N 1.41 4.27 0.00 4.92 0.02 -1.26 -3.48 135.00 140.88 1sfb s PRO 70 Ca 0.05 1.16 0.00 0.00 0.02 0.00 0.00 61.00 62.23 1sfb s PRO 70 Cb -0.26 -2.26 0.00 0.00 0.02 0.00 0.00 34.50 32.00 1sfb s PRO 70 CO 0.01 0.00 0.00 0.41 -0.33 0.00 0.00 177.00 177.09 1sfb n GLY 71 N -0.46 0.23 3.64 0.52 0.00 -1.26 -4.91 105.19 102.95 1sfb n GLY 71 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 1sfb n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1sfb s SER 72 N -2.01 6.79 0.14 1.61 0.15 -1.23 -4.88 113.70 114.27 1sfb s SER 72 Ca 0.00 1.43 -0.16 0.00 0.70 0.00 0.00 55.95 57.91 1sfb s SER 72 Cb 0.00 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 1sfb s SER 72 CO 0.00 -0.94 1.77 0.03 1.20 0.00 0.00 173.24 175.30 1sfb h ARG 73 N 8.84 0.52 -5.93 5.44 3.08 -1.68 -3.47 114.38 121.18 1sfb h ARG 73 Ca -0.26 -0.05 -0.37 0.00 0.07 0.00 0.00 59.98 59.36 1sfb h ARG 73 Cb 1.10 -0.11 0.11 0.00 0.08 0.00 0.00 29.97 31.15 1sfb h ARG 73 CO 1.00 0.40 -0.86 -1.71 -1.07 0.00 0.00 179.97 177.73 1sfb n ASN 74 N -4.78 -3.51 0.23 7.04 5.15 -0.89 -4.87 115.26 113.65 1sfb n ASN 74 Ca 0.00 -0.82 0.09 0.00 -0.60 0.00 0.00 54.58 53.24 1sfb n ASN 74 Cb 0.06 -4.27 0.57 0.00 -0.53 0.00 0.00 39.78 35.61 1sfb n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1sfb h LEU 75 N -1.69 0.00 -0.46 1.20 3.38 -1.69 -2.87 115.31 113.17 1sfb h LEU 75 Ca -0.62 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.35 1sfb h LEU 75 Cb 1.35 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.07 1sfb h LEU 75 CO 0.51 0.20 0.30 0.00 0.09 0.00 0.00 178.44 179.55 1sfb n ASN 77 N -4.76 -2.32 -3.75 0.00 3.02 -1.09 -5.08 115.26 101.28 1sfb n ASN 77 Ca 0.02 -0.52 -0.13 0.00 -0.03 0.00 0.00 54.58 53.91 1sfb n ASN 77 Cb 0.02 -4.41 -0.09 0.00 -0.61 0.00 0.00 39.78 34.69 1sfb n ASN 77 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1sfb s ILE 78 N -3.30 0.03 0.20 2.41 1.01 -1.26 -5.09 121.20 115.20 1sfb s ILE 78 Ca 0.04 -0.26 -0.31 0.00 0.00 0.00 0.00 60.65 60.11 1sfb s ILE 78 Cb -0.02 -0.58 -0.11 0.00 0.01 0.00 0.00 42.46 41.76 1sfb s ILE 78 CO 0.62 -0.14 1.62 -2.16 0.00 0.00 0.00 174.94 174.88 1sfb s PRO 79 N -0.68 4.17 0.49 2.79 0.04 -1.26 -4.31 135.00 136.24 1sfb s PRO 79 Ca -0.08 2.48 0.21 0.00 0.04 0.00 0.00 61.00 63.65 1sfb s PRO 79 Cb -0.04 -3.10 1.26 0.00 0.04 0.00 0.00 34.50 32.66 1sfb s PRO 79 CO 0.03 -0.65 1.98 0.00 0.04 0.00 0.00 177.00 178.40 1sfb n SER 81 N -4.42 0.01 0.00 0.00 7.64 -1.26 -1.71 113.62 113.89 1sfb n SER 81 Ca 0.10 0.50 0.08 0.00 1.01 0.00 0.00 58.87 60.57 1sfb n SER 81 Cb 0.53 -0.51 0.40 0.00 -1.01 0.00 0.00 64.21 63.62 1sfb n SER 81 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1sfb n ALA 82 N -1.51 1.87 -0.12 -0.43 0.00 0.22 -3.46 120.51 117.08 1sfb n ALA 82 Ca 0.02 -0.07 -0.21 0.00 0.00 0.00 0.00 53.44 53.17 1sfb n ALA 82 Cb 0.09 -1.27 -0.10 0.00 0.00 0.00 0.00 19.45 18.17 1sfb n ALA 82 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1sfb n LEU 83 N -1.36 2.32 0.29 0.00 4.77 -0.69 -4.53 117.00 117.80 1sfb n LEU 83 Ca 0.07 0.10 0.18 0.00 -0.03 0.00 0.00 56.01 56.33 1sfb n LEU 83 Cb 0.16 -0.76 0.93 0.00 -2.33 0.00 0.00 43.42 41.42 1sfb n LEU 83 CO 0.14 0.69 1.15 -0.07 -1.33 0.00 0.00 177.39 177.97 1sfb h LEU 84 N -0.46 0.00 -9.76 2.23 3.38 -1.70 -3.42 115.31 105.58 1sfb h LEU 84 Ca -0.57 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 56.88 1sfb h LEU 84 Cb 1.66 0.00 0.04 0.00 0.09 0.00 0.00 40.66 42.45 1sfb h LEU 84 CO -0.24 0.00 0.61 -0.55 0.09 0.00 0.00 178.44 178.36 1sfb s SER 85 N -5.03 6.93 0.54 -0.43 0.15 -1.25 -4.56 113.70 110.05 1sfb s SER 85 Ca -0.04 2.45 0.27 0.00 0.70 0.00 0.00 55.95 59.33 1sfb s SER 85 Cb 0.12 -2.62 1.43 0.00 -1.71 0.00 0.00 66.02 63.24 1sfb s SER 85 CO 0.40 -0.46 1.97 0.77 1.20 0.00 0.00 173.24 177.12 1sfb h SER 86 N 4.53 0.00 -3.24 5.45 4.64 -1.94 -3.36 113.55 119.63 1sfb h SER 86 Ca -0.46 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.30 1sfb h SER 86 Cb 1.22 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.27 1sfb h SER 86 CO 0.72 0.00 0.59 -0.62 -0.87 0.00 0.00 176.83 176.65 1sfb s ASP 87 N -5.99 7.22 -0.27 4.97 -1.08 -1.26 -4.92 116.67 115.34 1sfb s ASP 87 Ca -0.05 1.56 0.10 0.00 -0.52 0.00 0.00 52.55 53.65 1sfb s ASP 87 Cb 0.20 -2.56 0.50 0.00 -1.46 0.00 0.00 42.92 39.60 1sfb s ASP 87 CO 0.72 -0.47 1.45 -0.38 0.52 0.00 0.00 175.17 177.01 1sfb n ILE 88 N 4.57 2.49 -0.18 4.11 5.41 -1.26 -4.79 119.36 129.72 1sfb n ILE 88 Ca 0.09 -2.60 -0.03 0.00 1.00 0.00 0.00 62.75 61.21 1sfb n ILE 88 Cb 0.48 -0.31 0.07 0.00 -0.71 0.00 0.00 39.64 39.17 1sfb n ILE 88 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 1sfb h THR 89 N 1.10 0.91 0.00 1.39 2.02 -1.93 -3.29 112.91 113.10 1sfb h THR 89 Ca 0.18 -0.17 -0.05 0.00 0.77 0.00 0.00 66.41 67.15 1sfb h THR 89 Cb 1.61 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 68.39 1sfb h THR 89 CO 0.35 0.09 -2.01 0.00 0.37 0.00 0.00 175.52 174.32 1sfb n ALA 90 N -2.36 2.61 0.12 6.16 0.00 -1.26 -4.65 120.51 121.13 1sfb n ALA 90 Ca 0.06 -0.60 0.19 0.00 0.00 0.00 0.00 53.44 53.09 1sfb n ALA 90 Cb 0.17 -0.65 0.69 0.00 0.00 0.00 0.00 19.45 19.67 1sfb n ALA 90 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1sfb h SER 91 N 0.00 0.00 1.66 0.00 0.02 -1.79 -2.33 113.55 111.11 1sfb h SER 91 Ca -0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1sfb h SER 91 Cb 1.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.66 1sfb h SER 91 CO 0.00 0.00 -0.06 0.58 -1.14 0.00 0.00 176.83 176.21 1sfb h VAL 92 N 0.00 0.00 -0.24 2.27 2.07 -1.83 -3.37 116.25 115.15 1sfb h VAL 92 Ca 0.18 -0.72 0.04 0.00 0.82 0.00 0.00 66.70 67.01 1sfb h VAL 92 Cb 1.25 1.69 -0.04 0.00 -1.52 0.00 0.00 31.29 32.67 1sfb h VAL 92 CO -0.00 0.00 0.01 0.78 0.02 0.00 0.00 177.57 178.38 1sfb h ASN 93 N 0.00 -0.07 -0.38 0.57 -0.26 -1.78 0.41 115.58 114.08 1sfb h ASN 93 Ca 0.00 0.05 -0.16 0.00 -0.56 0.00 0.00 56.30 55.63 1sfb h ASN 93 Cb 0.86 0.08 -0.01 0.00 -1.06 0.00 0.00 38.32 38.20 1sfb h ASN 93 CO 0.00 -0.00 -0.39 0.00 -1.06 0.00 0.00 177.43 175.97 1sfb h ALA 95 N 0.76 1.00 -0.00 0.00 0.00 -1.48 -2.60 119.26 116.94 1sfb h ALA 95 Ca 0.06 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1sfb h ALA 95 Cb 0.99 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.79 1sfb h ALA 95 CO 0.10 0.00 -0.29 0.87 0.00 0.00 0.00 179.25 179.92 1sfb h LYS 96 N 0.00 0.20 0.00 0.00 1.57 0.63 -3.35 116.57 115.62 1sfb h LYS 96 Ca 0.00 -0.22 -0.10 0.00 -1.87 0.00 0.00 60.65 58.47 1sfb h LYS 96 Cb 0.13 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 1sfb h LYS 96 CO 0.00 0.94 -0.47 0.87 -0.57 0.00 0.00 179.45 180.22 1sfb h LYS 97 N -0.45 0.00 0.00 3.15 1.57 -1.37 -3.33 116.57 116.14 1sfb h LYS 97 Ca -0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1sfb h LYS 97 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.35 1sfb h LYS 97 CO 0.06 0.47 0.19 0.82 -0.57 0.00 0.00 179.45 180.42 1sfb h ILE 98 N 0.00 0.00 0.00 1.86 2.04 -1.67 1.44 117.51 121.17 1sfb h ILE 98 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1sfb h ILE 98 Cb 1.01 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 37.56 1sfb h ILE 98 CO 0.06 0.00 -1.26 0.52 0.00 0.00 0.00 178.15 177.47 1sfb n VAL 99 N -2.36 0.16 0.71 1.67 0.31 -1.25 -4.24 118.33 113.33 1sfb n VAL 99 Ca -0.01 -0.31 0.13 0.00 -0.01 0.00 0.00 64.34 64.13 1sfb n VAL 99 Cb 0.23 0.19 0.38 0.00 -0.91 0.00 0.00 33.84 33.73 1sfb n VAL 99 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1sfb n SER 100 N -2.06 0.62 0.00 4.52 2.88 0.49 -2.44 113.62 117.63 1sfb n SER 100 Ca 0.00 0.41 0.07 0.00 -1.33 0.00 0.00 58.87 58.02 1sfb n SER 100 Cb 0.47 -0.46 0.44 0.00 -0.75 0.00 0.00 64.21 63.91 1sfb n SER 100 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1sfb n ASP 101 N -2.04 0.00 0.00 -3.46 2.03 -1.19 -4.85 116.55 107.05 1sfb n ASP 101 Ca 0.05 -1.03 0.00 0.00 0.52 0.00 0.00 54.79 54.33 1sfb n ASP 101 Cb 0.41 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.81 1sfb n ASP 101 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1sfb n GLY 102 N 0.40 0.69 0.00 0.27 0.00 -1.22 -4.95 105.19 100.39 1sfb n GLY 102 Ca 0.11 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.20 1sfb n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1sfb n ASN 103 N 0.00 1.54 0.00 1.61 3.02 -1.26 -5.08 115.26 115.10 1sfb n ASN 103 Ca 0.00 -0.20 0.00 0.00 -0.03 0.00 0.00 54.58 54.35 1sfb n ASN 103 Cb 0.00 1.48 0.00 0.00 -0.61 0.00 0.00 39.78 40.65 1sfb n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sfb n GLY 104 N 1.62 0.68 0.00 7.41 0.00 -1.02 -1.82 105.19 112.05 1sfb n GLY 104 Ca -0.01 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.19 1sfb n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1sfb n MET 105 N 4.40 0.00 0.05 1.61 2.81 -1.26 -2.09 117.12 122.64 1sfb n MET 105 Ca 0.00 0.30 0.04 0.00 -1.81 0.00 0.00 57.70 56.22 1sfb n MET 105 Cb 0.00 -1.50 0.19 0.00 -0.71 0.00 0.00 33.22 31.20 1sfb n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1sfb n ASN 106 N -1.30 0.18 -0.05 7.83 3.02 -0.76 0.21 115.26 124.39 1sfb n ASN 106 Ca 0.00 0.58 -0.16 0.00 -0.03 0.00 0.00 54.58 54.97 1sfb n ASN 106 Cb 0.00 -0.60 -0.06 0.00 -0.61 0.00 0.00 39.78 38.51 1sfb n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sfb h ALA 107 N 1.97 0.35 -2.30 5.41 0.00 -1.66 -3.42 119.26 119.60 1sfb h ALA 107 Ca 0.00 -0.54 -0.63 0.00 0.00 0.00 0.00 54.91 53.75 1sfb h ALA 107 Cb 0.02 -0.04 -0.13 0.00 0.00 0.00 0.00 17.79 17.64 1sfb h ALA 107 CO 0.00 0.61 0.18 -1.58 0.00 0.00 0.00 179.25 178.46 1sfb s TRP 108 N -3.93 3.15 -0.00 0.00 0.51 0.55 -4.96 118.94 114.26 1sfb s TRP 108 Ca -0.11 0.40 -0.19 0.00 -2.12 0.00 0.00 56.10 54.08 1sfb s TRP 108 Cb 0.09 -3.17 -0.28 0.00 -0.81 0.00 0.00 33.47 29.30 1sfb s TRP 108 CO 0.88 -0.63 1.03 0.28 -0.51 0.00 0.00 176.95 178.00 1sfb h VAL 109 N 5.68 1.42 -0.24 4.03 2.07 -1.83 -3.31 116.25 124.07 1sfb h VAL 109 Ca -0.26 -2.34 -0.02 0.00 0.82 0.00 0.00 66.70 64.90 1sfb h VAL 109 Cb 1.11 2.84 -0.01 0.00 -1.52 0.00 0.00 31.29 33.71 1sfb h VAL 109 CO 0.85 0.68 0.08 0.00 0.02 0.00 0.00 177.57 179.20 1sfb h ALA 110 N 0.22 0.31 -0.28 1.67 0.00 -1.93 -2.45 119.26 116.81 1sfb h ALA 110 Ca -0.13 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 54.73 1sfb h ALA 110 Cb 1.59 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.28 1sfb h ALA 110 CO 0.16 -0.07 0.32 2.35 0.00 0.00 0.00 179.25 182.02 1sfb h TRP 111 N 0.22 0.00 0.00 0.00 7.01 -1.93 1.29 115.95 122.54 1sfb h TRP 111 Ca 0.08 0.00 -0.04 0.00 2.11 0.00 0.00 58.89 61.04 1sfb h TRP 111 Cb 0.22 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.28 1sfb h TRP 111 CO 0.00 0.00 -0.18 -0.09 -2.79 0.00 0.00 178.44 175.38 1sfb h ARG 112 N 0.00 0.00 0.00 2.65 2.43 -1.52 -1.59 114.38 116.35 1sfb h ARG 112 Ca 0.13 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.27 1sfb h ARG 112 Cb 0.78 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.33 1sfb h ARG 112 CO -0.00 0.18 -1.12 0.09 -1.51 0.00 0.00 179.97 177.61 1sfb n ASN 113 N -3.24 3.20 0.15 -3.80 3.02 0.26 -4.18 115.26 110.68 1sfb n ASN 113 Ca 0.01 -0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.68 1sfb n ASN 113 Cb 0.48 -0.04 0.23 0.00 -0.61 0.00 0.00 39.78 39.84 1sfb n ASN 113 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 1sfb h ARG 114 N -0.01 0.00 0.00 3.52 3.08 0.10 -3.34 114.38 117.73 1sfb h ARG 114 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1sfb h ARG 114 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.12 1sfb h ARG 114 CO -0.01 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.89 1sfb s LYS 116 N -0.73 4.55 0.00 0.00 2.20 -0.60 -3.35 119.74 121.81 1sfb s LYS 116 Ca 0.00 1.16 0.00 0.00 -0.36 0.00 0.00 55.97 56.77 1sfb s LYS 116 Cb 0.00 -3.35 0.00 0.00 -1.51 0.00 0.00 37.83 32.97 1sfb s LYS 116 CO 0.00 0.30 0.00 0.41 -0.36 0.00 0.00 175.35 175.70 1sfb n GLY 117 N 2.27 0.44 3.74 5.54 0.00 -1.26 -4.82 105.19 111.09 1sfb n GLY 117 Ca -0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 1sfb n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sfb s THR 118 N -2.22 4.01 -0.58 2.61 -4.23 -1.21 -5.05 115.64 108.98 1sfb s THR 118 Ca 0.00 -1.51 -0.20 0.00 -1.18 0.00 0.00 61.69 58.80 1sfb s THR 118 Cb 0.00 -3.12 0.08 0.00 1.34 0.00 0.00 72.50 70.80 1sfb s THR 118 CO 0.00 -0.28 0.76 1.51 -0.54 0.00 0.00 174.62 176.07 1sfb s ASP 119 N -3.51 6.21 0.27 3.99 -4.77 -1.26 -4.77 116.67 112.82 1sfb s ASP 119 Ca 0.31 -1.09 0.04 0.00 -3.30 0.00 0.00 52.55 48.51 1sfb s ASP 119 Cb -0.08 -2.33 0.37 0.00 -1.09 0.00 0.00 42.92 39.78 1sfb s ASP 119 CO 0.22 -1.13 1.66 1.62 0.70 0.00 0.00 175.17 178.25 1sfb h VAL 120 N 5.93 1.30 0.00 2.11 3.04 -1.93 -2.07 116.25 124.63 1sfb h VAL 120 Ca -0.28 -1.52 0.00 0.00 -1.01 0.00 0.00 66.70 63.88 1sfb h VAL 120 Cb 1.08 1.62 0.00 0.00 -2.01 0.00 0.00 31.29 31.98 1sfb h VAL 120 CO 1.08 0.47 0.01 1.56 -1.01 0.00 0.00 177.57 179.67 1sfb h GLN 121 N 0.30 0.00 0.00 4.17 4.20 -1.86 0.81 115.11 122.74 1sfb h GLN 121 Ca 0.03 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.54 1sfb h GLN 121 Cb 0.84 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.59 1sfb h GLN 121 CO 0.07 0.00 -0.96 0.00 -0.67 0.00 0.00 178.83 177.26 1sfb h ALA 122 N 1.97 0.41 -0.27 3.87 0.00 -1.76 -3.33 119.26 120.16 1sfb h ALA 122 Ca 0.00 -0.87 -0.11 0.00 0.00 0.00 0.00 54.91 53.94 1sfb h ALA 122 Cb 0.02 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1sfb h ALA 122 CO 0.00 1.18 -0.24 -1.49 0.00 0.00 0.00 179.25 178.70 1sfb h TRP 123 N 0.00 0.76 0.00 0.00 4.06 0.57 -3.13 115.95 118.22 1sfb h TRP 123 Ca -0.01 -0.22 0.00 0.00 2.06 0.00 0.00 58.89 60.71 1sfb h TRP 123 Cb 1.70 -0.16 0.00 0.00 -1.00 0.00 0.00 29.16 29.70 1sfb h TRP 123 CO 0.00 0.94 0.00 0.44 -3.56 0.00 0.00 178.44 176.26 1sfb n ILE 124 N -4.33 0.00 -2.36 1.49 -5.35 -1.11 -4.85 119.36 102.86 1sfb n ILE 124 Ca -0.04 0.00 -0.27 0.00 -0.27 0.00 0.00 62.75 62.16 1sfb n ILE 124 Cb 0.44 -0.41 0.02 0.00 -1.74 0.00 0.00 39.64 37.96 1sfb n ILE 124 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1sfb s ARG 125 N -2.00 3.11 0.00 6.28 6.06 -1.18 -4.34 118.95 126.88 1sfb s ARG 125 Ca 0.31 0.15 0.00 0.00 -2.50 0.00 0.00 55.73 53.68 1sfb s ARG 125 Cb 0.14 -2.26 0.00 0.00 0.06 0.00 0.00 34.95 32.89 1sfb s ARG 125 CO 0.24 -0.61 0.00 0.41 -2.50 0.00 0.00 175.30 172.84 1sfb n GLY 126 N -2.56 0.97 3.45 8.12 0.00 -1.26 -5.05 105.19 108.86 1sfb n GLY 126 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 1sfb n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sfb s ARG 128 N 0.41 4.49 0.00 0.00 3.52 -1.26 -5.15 118.95 120.96 1sfb s ARG 128 Ca -0.06 1.87 0.00 0.00 -0.13 0.00 0.00 55.73 57.41 1sfb s ARG 128 Cb -0.15 -3.25 0.00 0.00 -1.56 0.00 0.00 34.95 29.99 1sfb s ARG 128 CO 0.04 -0.10 0.00 -0.11 -0.81 0.00 0.00 175.30 174.31