#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xft s VAL 2 N 0.00 -0.52 -0.01 3.15 1.01 -1.26 0.33 120.40 123.10 1xft s VAL 2 Ca 0.00 0.09 -0.03 0.00 0.00 0.00 0.00 61.98 62.04 1xft s VAL 2 Cb 0.00 -0.77 -0.04 0.00 0.00 0.00 0.00 36.38 35.57 1xft s VAL 2 CO 0.00 0.04 0.18 -0.31 0.00 0.00 0.00 175.10 175.01 1xft s TYR 3 N 2.30 3.55 0.31 5.22 2.02 -0.32 -4.90 117.35 125.54 1xft s TYR 3 Ca -0.05 0.36 -0.28 0.00 -0.37 0.00 0.00 57.07 56.73 1xft s TYR 3 Cb -0.10 -1.83 -0.10 0.00 -0.40 0.00 0.00 41.96 39.53 1xft s TYR 3 CO -0.15 0.65 1.15 0.20 -1.57 0.00 0.00 175.55 175.83 1xft s GLY 4 N -1.90 3.01 0.00 0.71 0.00 -1.26 -4.83 107.32 103.05 1xft s GLY 4 Ca 0.27 0.98 0.00 0.00 0.00 0.00 0.00 44.72 45.97 1xft s GLY 4 CO 0.18 1.58 0.75 -2.13 0.00 0.00 0.00 173.10 173.48 1xft n ARG 5 N 0.89 0.00 -0.03 2.90 0.63 -1.26 0.49 116.66 120.27 1xft n ARG 5 Ca 0.00 0.65 -0.10 0.00 -0.92 0.00 0.00 57.85 57.48 1xft n ARG 5 Cb 0.44 -1.25 -0.04 0.00 0.45 0.00 0.00 32.46 32.07 1xft n ARG 5 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1xft h GLU 7 N 0.24 0.00 0.00 0.00 4.22 -1.89 -1.62 114.58 115.53 1xft h GLU 7 Ca 0.07 0.00 -0.31 0.00 0.08 0.00 0.00 59.36 59.19 1xft h GLU 7 Cb -0.03 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.18 1xft h GLU 7 CO -0.01 0.00 -2.00 -0.11 -2.18 0.00 0.00 179.01 174.70 1xft n LEU 8 N -3.75 1.95 -0.30 1.64 7.94 0.18 -4.60 117.00 120.06 1xft n LEU 8 Ca 0.21 0.35 0.07 0.00 -1.11 0.00 0.00 56.01 55.52 1xft n LEU 8 Cb 1.20 -0.80 0.28 0.00 0.53 0.00 0.00 43.42 44.63 1xft n LEU 8 CO 0.32 0.30 1.24 0.00 -1.11 0.00 0.00 177.39 178.13 1xft h ALA 9 N -0.98 1.60 0.00 1.96 0.00 0.25 1.02 119.26 123.11 1xft h ALA 9 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1xft h ALA 9 Cb 1.40 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1xft h ALA 9 CO -0.29 0.22 0.00 0.00 0.00 0.00 0.00 179.25 179.19 1xft n ALA 10 N -2.40 2.23 0.07 0.00 0.00 -0.68 -2.08 120.51 117.65 1xft n ALA 10 Ca 0.15 -0.09 -0.09 0.00 0.00 0.00 0.00 53.44 53.41 1xft n ALA 10 Cb 0.29 -1.24 0.01 0.00 0.00 0.00 0.00 19.45 18.51 1xft n ALA 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xft h ALA 11 N 3.00 0.56 -0.06 0.00 0.00 0.85 -3.04 119.26 120.57 1xft h ALA 11 Ca 0.00 -0.67 -0.08 0.00 0.00 0.00 0.00 54.91 54.16 1xft h ALA 11 Cb 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1xft h ALA 11 CO 0.00 0.84 -0.35 0.52 0.00 0.00 0.00 179.25 180.26 1xft h MET 12 N 0.18 0.11 -0.53 0.00 2.86 -1.44 -1.46 114.93 114.64 1xft h MET 12 Ca -0.04 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 1xft h MET 12 Cb 1.42 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 33.04 1xft h MET 12 CO 0.13 0.45 0.28 -0.22 1.06 0.00 0.00 176.91 178.62 1xft h LYS 13 N 0.10 0.73 0.00 1.72 3.64 -1.58 0.36 116.57 121.54 1xft h LYS 13 Ca 0.01 -0.08 -0.04 0.00 -1.27 0.00 0.00 60.65 59.28 1xft h LYS 13 Cb 0.67 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 1xft h LYS 13 CO 0.05 0.55 -0.18 0.00 -2.27 0.00 0.00 179.45 177.60 1xft h ARG 14 N 0.74 0.00 -0.08 1.90 2.47 -1.18 -0.11 114.38 118.12 1xft h ARG 14 Ca 0.19 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.91 1xft h ARG 14 Cb 0.03 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.35 1xft h ARG 14 CO -0.03 0.18 0.00 1.28 0.56 0.00 0.00 179.97 181.96 1xft n LEU 15 N -4.11 3.00 -0.95 3.04 4.77 0.48 -4.93 117.00 118.30 1xft n LEU 15 Ca -0.02 -1.04 -0.12 0.00 -0.03 0.00 0.00 56.01 54.79 1xft n LEU 15 Cb 0.26 -0.03 -0.05 0.00 -2.33 0.00 0.00 43.42 41.26 1xft n LEU 15 CO 0.35 0.52 -0.12 0.61 -1.33 0.00 0.00 177.39 177.42 1xft n GLY 16 N 1.36 1.21 0.36 -0.72 0.00 0.97 -4.80 105.19 103.58 1xft n GLY 16 Ca 0.15 -0.05 0.17 0.00 0.00 0.00 0.00 46.02 46.28 1xft n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1xft h LEU 17 N 0.00 0.67 -9.33 0.99 3.38 -1.33 -3.36 115.31 106.33 1xft h LEU 17 Ca -0.25 0.11 -0.61 0.00 0.09 0.00 0.00 57.88 57.22 1xft h LEU 17 Cb 1.14 -0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.92 1xft h LEU 17 CO 0.37 0.17 1.02 -0.67 0.09 0.00 0.00 178.44 179.42 1xft n ASP 18 N -4.78 3.35 -2.20 -0.43 2.03 -1.26 0.24 116.55 113.49 1xft n ASP 18 Ca 0.25 1.00 -0.14 0.00 0.52 0.00 0.00 54.79 56.42 1xft n ASP 18 Cb 0.70 -1.38 0.04 0.00 -0.72 0.00 0.00 41.12 39.76 1xft n ASP 18 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1xft n ASN 19 N 5.85 -4.49 -4.57 1.67 3.02 1.90 -4.87 115.26 113.78 1xft n ASN 19 Ca 0.21 -0.28 -0.43 0.00 -0.03 0.00 0.00 54.58 54.05 1xft n ASN 19 Cb 0.29 -3.14 -0.04 0.00 -0.61 0.00 0.00 39.78 36.28 1xft n ASN 19 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1xft s TYR 20 N -3.12 2.96 -1.26 3.10 5.04 0.65 -3.46 117.35 121.27 1xft s TYR 20 Ca 0.31 0.39 -0.02 0.00 -2.44 0.00 0.00 57.07 55.31 1xft s TYR 20 Cb -0.13 -3.85 0.00 0.00 0.35 0.00 0.00 41.96 38.33 1xft s TYR 20 CO 0.38 -1.03 0.94 0.54 -1.34 0.00 0.00 175.55 175.04 1xft n ARG 21 N 7.00 -6.28 -0.80 4.97 1.74 -1.26 -1.62 116.66 120.40 1xft n ARG 21 Ca 0.05 0.78 0.00 0.00 -0.77 0.00 0.00 57.85 57.91 1xft n ARG 21 Cb 0.48 -5.67 0.00 0.00 -1.02 0.00 0.00 32.46 26.25 1xft n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xft n GLY 22 N -1.36 0.39 3.67 -0.13 0.00 -1.22 -4.97 105.19 101.56 1xft n GLY 22 Ca -0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 1xft n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xft s TYR 23 N -2.11 3.40 0.47 1.61 2.02 -0.64 -4.69 117.35 117.42 1xft s TYR 23 Ca 0.00 1.44 -0.23 0.00 -0.37 0.00 0.00 57.07 57.91 1xft s TYR 23 Cb 0.00 -3.18 -0.07 0.00 -0.40 0.00 0.00 41.96 38.31 1xft s TYR 23 CO 0.00 -0.36 1.19 0.45 -1.57 0.00 0.00 175.55 175.26 1xft s SER 24 N 1.18 6.03 0.36 2.29 0.15 -1.26 0.51 113.70 122.95 1xft s SER 24 Ca 0.43 2.37 0.11 0.00 0.70 0.00 0.00 55.95 59.57 1xft s SER 24 Cb -0.16 -2.61 0.67 0.00 -1.71 0.00 0.00 66.02 62.21 1xft s SER 24 CO 0.11 -1.02 1.80 0.25 1.20 0.00 0.00 173.24 175.58 1xft h LEU 25 N 1.95 0.05 -1.01 3.45 5.85 -1.89 -2.70 115.31 121.00 1xft h LEU 25 Ca -0.50 -0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.28 1xft h LEU 25 Cb 1.26 -0.01 -0.07 0.00 0.37 0.00 0.00 40.66 42.20 1xft h LEU 25 CO 0.60 0.42 0.65 1.23 -0.34 0.00 0.00 178.44 181.00 1xft h GLY 26 N 1.14 1.54 1.28 3.75 0.00 -1.92 1.64 103.07 110.52 1xft h GLY 26 Ca 0.00 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 1xft h GLY 26 CO 0.05 0.32 0.39 3.43 0.00 0.00 0.00 176.54 180.73 1xft h ASN 27 N 1.17 0.84 0.21 0.19 -0.26 -1.62 0.73 115.58 116.84 1xft h ASN 27 Ca 0.44 -0.06 -0.01 0.00 -0.56 0.00 0.00 56.30 56.11 1xft h ASN 27 Cb 0.20 -0.21 0.00 0.00 -1.06 0.00 0.00 38.32 37.25 1xft h ASN 27 CO -0.18 0.67 -0.10 -0.50 -1.06 0.00 0.00 177.43 176.26 1xft h TRP 28 N 0.96 -0.26 -0.66 1.19 4.06 0.09 -3.01 115.95 118.32 1xft h TRP 28 Ca 0.25 -0.01 0.12 0.00 2.06 0.00 0.00 58.89 61.31 1xft h TRP 28 Cb 0.00 0.09 -0.12 0.00 -1.00 0.00 0.00 29.16 28.13 1xft h TRP 28 CO 0.01 0.08 -0.32 0.28 -3.56 0.00 0.00 178.44 174.93 1xft h VAL 29 N -0.65 0.17 -0.32 1.49 2.07 0.27 -1.79 116.25 117.49 1xft h VAL 29 Ca -0.03 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.53 1xft h VAL 29 Cb 0.46 0.17 -0.07 0.00 -1.52 0.00 0.00 31.29 30.33 1xft h VAL 29 CO 0.05 0.00 -0.51 0.00 0.02 0.00 0.00 177.57 177.12 1xft h ALA 31 N -0.20 1.86 0.43 0.00 0.00 -1.19 0.49 119.26 120.63 1xft h ALA 31 Ca 0.06 0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 1xft h ALA 31 Cb 0.57 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1xft h ALA 31 CO -0.52 -0.51 -0.21 0.00 0.00 0.00 0.00 179.25 178.01 1xft h ALA 32 N 1.82 -1.15 -0.99 0.00 0.00 -0.47 4.68 119.26 123.16 1xft h ALA 32 Ca 0.70 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.53 1xft h ALA 32 Cb 1.54 0.24 -0.06 0.00 0.00 0.00 0.00 17.79 19.51 1xft h ALA 32 CO -0.59 -1.11 0.65 -0.22 0.00 0.00 0.00 179.25 177.98 1xft h LYS 33 N -0.58 1.20 -0.50 0.00 1.63 0.20 7.28 116.57 125.80 1xft h LYS 33 Ca -0.06 -0.07 -0.11 0.00 -0.85 0.00 0.00 60.65 59.56 1xft h LYS 33 Cb 0.45 -0.27 -0.02 0.00 -0.60 0.00 0.00 32.23 31.79 1xft h LYS 33 CO 0.09 0.79 -0.13 0.74 -3.45 0.00 0.00 179.45 177.49 1xft h PHE 34 N 1.24 1.06 0.00 1.91 0.04 -0.59 0.93 116.94 121.53 1xft h PHE 34 Ca 0.40 -0.22 0.00 0.00 2.80 0.00 0.00 57.97 60.95 1xft h PHE 34 Cb 0.03 -0.26 0.00 0.00 2.20 0.00 0.00 35.95 37.91 1xft h PHE 34 CO -0.00 1.01 -1.02 0.39 -0.60 0.00 0.00 178.31 178.09 1xft n GLU 35 N -4.14 1.85 0.00 1.51 -0.58 1.53 -4.71 120.64 116.10 1xft n GLU 35 Ca 0.01 -0.05 0.00 0.00 -0.42 0.00 0.00 57.16 56.70 1xft n GLU 35 Cb 0.40 -1.14 0.00 0.00 -0.57 0.00 0.00 31.44 30.14 1xft n GLU 35 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1xft n SER 36 N -1.58 3.29 -1.21 1.62 3.41 2.02 -4.25 113.62 116.92 1xft n SER 36 Ca -0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.49 1xft n SER 36 Cb 0.23 0.52 -0.05 0.00 -0.26 0.00 0.00 64.21 64.65 1xft n SER 36 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1xft n ASN 37 N -1.20 -3.54 -1.68 4.04 0.23 1.46 0.10 115.26 114.68 1xft n ASN 37 Ca 0.00 0.29 -0.14 0.00 -0.53 0.00 0.00 54.58 54.20 1xft n ASN 37 Cb 0.14 -3.17 0.00 0.00 -2.08 0.00 0.00 39.78 34.67 1xft n ASN 37 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 1xft n PHE 38 N -1.80 -0.79 -3.81 -2.53 3.72 -1.19 -4.71 117.46 106.34 1xft n PHE 38 Ca -0.12 0.08 -0.36 0.00 -0.05 0.00 0.00 57.45 57.00 1xft n PHE 38 Cb 0.42 -3.04 -0.10 0.00 -0.94 0.00 0.00 39.48 35.82 1xft n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1xft s ASN 39 N -2.47 5.75 -0.03 4.37 3.84 0.29 -1.17 114.94 125.51 1xft s ASN 39 Ca 0.04 0.04 -0.23 0.00 0.21 0.00 0.00 52.86 52.92 1xft s ASN 39 Cb -0.02 -2.02 -0.17 0.00 -0.55 0.00 0.00 41.25 38.49 1xft s ASN 39 CO 0.05 0.08 1.05 0.71 -2.79 0.00 0.00 177.10 176.20 1xft h THR 40 N 5.07 0.91 -0.05 -5.21 1.35 0.51 -3.25 112.91 112.23 1xft h THR 40 Ca -0.37 -0.99 0.00 0.00 -0.55 0.00 0.00 66.41 64.50 1xft h THR 40 Cb 1.17 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 69.04 1xft h THR 40 CO 0.65 0.21 0.00 0.00 -0.25 0.00 0.00 175.52 176.13 1xft n HIS 41 N -4.97 0.06 -2.16 4.73 1.44 -0.88 -3.31 115.22 110.14 1xft n HIS 41 Ca -0.08 -0.03 -0.42 0.00 -2.01 0.00 0.00 57.72 55.18 1xft n HIS 41 Cb 0.26 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.34 1xft n HIS 41 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1xft s ALA 42 N -1.94 3.58 -0.14 1.59 0.00 -1.23 -4.94 121.76 118.69 1xft s ALA 42 Ca 0.06 1.15 -0.08 0.00 0.00 0.00 0.00 51.96 53.10 1xft s ALA 42 Cb 0.03 -3.52 0.05 0.00 0.00 0.00 0.00 23.12 19.68 1xft s ALA 42 CO 0.05 -0.61 0.33 0.95 0.00 0.00 0.00 175.76 176.48 1xft s THR 43 N 0.65 -0.03 -0.35 0.00 -4.23 -1.26 -3.84 115.64 106.57 1xft s THR 43 Ca 0.62 0.11 -0.10 0.00 -1.18 0.00 0.00 61.69 61.14 1xft s THR 43 Cb -0.38 -0.50 0.02 0.00 1.34 0.00 0.00 72.50 72.99 1xft s THR 43 CO 0.34 0.05 0.17 0.20 -0.54 0.00 0.00 174.62 174.84 1xft s ASN 44 N 1.26 5.60 0.21 3.99 0.01 -1.22 -4.97 114.94 119.82 1xft s ASN 44 Ca -0.09 -0.93 -0.21 0.00 -0.71 0.00 0.00 52.86 50.92 1xft s ASN 44 Cb -0.09 -1.99 -0.08 0.00 0.41 0.00 0.00 41.25 39.50 1xft s ASN 44 CO -0.10 -0.34 0.74 -0.60 -1.51 0.00 0.00 177.10 175.29 1xft s ARG 45 N 1.53 4.32 0.26 -0.60 3.52 -1.26 0.29 118.95 127.01 1xft s ARG 45 Ca 0.02 0.93 0.05 0.00 -0.13 0.00 0.00 55.73 56.60 1xft s ARG 45 Cb -0.19 -2.96 -0.03 0.00 -1.56 0.00 0.00 34.95 30.21 1xft s ARG 45 CO 0.06 0.43 0.38 -0.80 -0.81 0.00 0.00 175.30 174.56 1xft s ASN 46 N -1.53 6.29 -0.05 -2.12 0.01 1.44 -4.88 114.94 114.09 1xft s ASN 46 Ca 0.41 0.08 0.06 0.00 -0.71 0.00 0.00 52.86 52.71 1xft s ASN 46 Cb -0.18 -1.82 0.28 0.00 0.41 0.00 0.00 41.25 39.94 1xft s ASN 46 CO 0.22 -0.12 1.06 0.41 -1.51 0.00 0.00 177.10 177.15 1xft n THR 47 N -1.46 0.75 -0.97 1.60 -1.04 -1.26 -2.95 114.28 108.96 1xft n THR 47 Ca -0.08 -0.45 0.08 0.00 -2.04 0.00 0.00 64.05 61.56 1xft n THR 47 Cb 0.57 -0.18 0.26 0.00 -1.82 0.00 0.00 70.33 69.17 1xft n THR 47 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1xft n ASP 48 N 0.26 3.92 -1.14 8.00 5.68 -1.26 -4.96 116.55 127.04 1xft n ASP 48 Ca 0.10 -2.98 -0.10 0.00 -0.50 0.00 0.00 54.79 51.30 1xft n ASP 48 Cb 0.45 -0.54 -0.01 0.00 -1.14 0.00 0.00 41.12 39.88 1xft n ASP 48 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1xft n GLY 49 N -0.44 0.06 3.64 6.12 0.00 -1.15 -5.00 105.19 108.42 1xft n GLY 49 Ca 0.21 -0.46 -0.06 0.00 0.00 0.00 0.00 46.02 45.71 1xft n GLY 49 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xft s SER 50 N -2.57 -0.26 0.05 1.61 0.15 -1.25 -4.59 113.70 106.84 1xft s SER 50 Ca 0.00 -0.22 0.09 0.00 0.70 0.00 0.00 55.95 56.51 1xft s SER 50 Cb 0.00 0.44 -0.03 0.00 -1.71 0.00 0.00 66.02 64.72 1xft s SER 50 CO 0.00 -0.78 -0.23 -0.89 1.20 0.00 0.00 173.24 172.54 1xft s THR 51 N -3.21 2.39 0.85 6.45 2.01 -1.26 0.42 115.64 123.29 1xft s THR 51 Ca 0.09 -1.33 -0.12 0.00 0.31 0.00 0.00 61.69 60.64 1xft s THR 51 Cb -0.01 -1.96 0.10 0.00 0.01 0.00 0.00 72.50 70.63 1xft s THR 51 CO -0.03 0.34 1.12 -1.81 -0.69 0.00 0.00 174.62 173.56 1xft s ASP 52 N -1.35 4.08 0.00 3.53 1.01 0.14 -3.27 116.67 120.81 1xft s ASP 52 Ca 0.13 1.08 0.00 0.00 0.71 0.00 0.00 52.55 54.47 1xft s ASP 52 Cb -0.10 -1.72 0.00 0.00 1.01 0.00 0.00 42.92 42.11 1xft s ASP 52 CO 0.03 -2.21 0.00 -1.22 0.21 0.00 0.00 175.17 171.99 1xft n TYR 53 N -3.56 0.00 -4.55 4.23 4.02 0.27 -3.41 117.16 114.17 1xft n TYR 53 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.96 1xft n TYR 53 Cb 0.58 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.90 1xft n TYR 53 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1xft n GLY 54 N 0.45 0.94 0.11 2.72 0.00 -1.25 0.14 105.19 108.30 1xft n GLY 54 Ca 0.00 -0.77 -0.14 0.00 0.00 0.00 0.00 46.02 45.11 1xft n GLY 54 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1xft n ILE 55 N 0.00 1.61 -0.31 -0.61 3.06 -1.21 -3.96 119.36 117.95 1xft n ILE 55 Ca 0.00 -0.74 0.14 0.00 -2.50 0.00 0.00 62.75 59.65 1xft n ILE 55 Cb 0.00 -1.19 0.37 0.00 0.54 0.00 0.00 39.64 39.37 1xft n ILE 55 CO 0.00 0.00 0.00 -0.07 -2.50 0.00 0.00 176.55 173.98 1xft h LEU 56 N 0.02 0.68 -2.77 9.51 4.07 -1.83 -2.76 115.31 122.24 1xft h LEU 56 Ca -0.41 0.06 -0.28 0.00 0.08 0.00 0.00 57.88 57.33 1xft h LEU 56 Cb 2.05 -0.06 0.11 0.00 1.08 0.00 0.00 40.66 43.84 1xft h LEU 56 CO 0.05 0.29 -0.74 0.00 -1.08 0.00 0.00 178.44 176.96 1xft n GLN 57 N -4.63 -1.69 -4.04 1.13 1.13 0.37 -4.74 117.38 104.91 1xft n GLN 57 Ca 0.20 0.84 -0.30 0.00 -1.94 0.00 0.00 57.00 55.80 1xft n GLN 57 Cb 0.56 -5.05 -0.06 0.00 0.11 0.00 0.00 30.24 25.80 1xft n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1xft s ILE 58 N -3.32 4.61 -0.15 5.09 1.01 -1.18 -4.61 121.20 122.64 1xft s ILE 58 Ca 0.36 -0.76 -0.22 0.00 0.00 0.00 0.00 60.65 60.03 1xft s ILE 58 Cb -0.08 -3.24 -0.03 0.00 0.01 0.00 0.00 42.46 39.12 1xft s ILE 58 CO 0.79 0.10 0.65 0.21 0.00 0.00 0.00 174.94 176.70 1xft s ASN 59 N -2.47 6.79 0.10 3.58 3.04 -1.26 -0.56 114.94 124.16 1xft s ASN 59 Ca 0.30 0.96 -0.31 0.00 0.04 0.00 0.00 52.86 53.85 1xft s ASN 59 Cb -0.12 -2.37 -0.12 0.00 -1.54 0.00 0.00 41.25 37.10 1xft s ASN 59 CO 0.23 -0.21 1.60 0.77 -3.04 0.00 0.00 177.10 176.44 1xft h SER 60 N 7.19 -1.09 0.00 -4.21 4.64 -1.89 -2.09 113.55 116.10 1xft h SER 60 Ca -0.35 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 1xft h SER 60 Cb 1.16 0.39 0.00 0.00 -0.31 0.00 0.00 62.40 63.63 1xft h SER 60 CO 0.77 -0.50 0.65 -0.09 -0.87 0.00 0.00 176.83 176.79 1xft h ARG 61 N -0.72 0.00 0.00 4.77 9.65 -1.87 1.23 114.38 127.44 1xft h ARG 61 Ca -0.01 0.00 -0.09 0.00 -1.10 0.00 0.00 59.98 58.78 1xft h ARG 61 Cb 0.68 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.25 1xft h ARG 61 CO -0.13 0.00 -1.41 0.91 2.80 0.00 0.00 179.97 182.14 1xft n TRP 62 N -1.99 0.00 0.01 2.20 7.02 -1.02 0.91 117.44 124.57 1xft n TRP 62 Ca -0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 57.50 56.45 1xft n TRP 62 Cb 0.66 -0.28 -0.01 0.00 -2.42 0.00 0.00 31.31 29.26 1xft n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1xft n TRP 63 N -2.14 0.00 -3.02 -5.99 7.02 0.42 -2.19 117.44 111.54 1xft n TRP 63 Ca -0.09 0.00 -0.00 0.00 -1.02 0.00 0.00 57.50 56.39 1xft n TRP 63 Cb 0.61 -0.12 0.00 0.00 -2.42 0.00 0.00 31.31 29.39 1xft n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1xft s ASN 65 N -1.07 0.02 -0.01 0.00 2.47 0.24 -3.70 114.94 112.90 1xft s ASN 65 Ca 0.01 0.05 0.01 0.00 0.42 0.00 0.00 52.86 53.35 1xft s ASN 65 Cb -0.00 -0.01 0.01 0.00 -1.45 0.00 0.00 41.25 39.80 1xft s ASN 65 CO 0.01 -0.08 0.79 -0.90 -3.72 0.00 0.00 177.10 173.20 1xft n ASP 66 N 3.71 0.20 0.00 -4.21 5.75 -1.26 0.17 116.55 120.90 1xft n ASP 66 Ca -0.21 -1.61 0.00 0.00 -0.01 0.00 0.00 54.79 52.96 1xft n ASP 66 Cb 0.54 -0.11 0.00 0.00 -1.03 0.00 0.00 41.12 40.52 1xft n ASP 66 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xft n GLY 67 N -0.09 0.00 0.13 6.12 0.00 -1.26 -4.79 105.19 105.30 1xft n GLY 67 Ca 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 1xft n GLY 67 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1xft n ARG 68 N 0.35 0.67 -2.43 1.61 0.63 -1.26 -4.99 116.66 111.24 1xft n ARG 68 Ca 0.00 0.33 -0.43 0.00 -0.92 0.00 0.00 57.85 56.83 1xft n ARG 68 Cb 0.35 -1.66 -0.02 0.00 0.45 0.00 0.00 32.46 31.58 1xft n ARG 68 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1xft s THR 69 N -2.49 4.07 0.02 5.15 -4.23 -1.26 -4.97 115.64 111.93 1xft s THR 69 Ca -0.28 1.15 -0.31 0.00 -1.18 0.00 0.00 61.69 61.06 1xft s THR 69 Cb 0.08 -4.25 -0.10 0.00 1.34 0.00 0.00 72.50 69.57 1xft s THR 69 CO 0.66 -0.66 1.92 -0.81 -0.54 0.00 0.00 174.62 175.19 1xft n PRO 70 N 7.67 2.66 -0.97 3.99 -0.04 -1.26 -0.52 135.00 146.53 1xft n PRO 70 Ca 0.15 0.97 0.00 0.00 -0.04 0.00 0.00 63.50 64.58 1xft n PRO 70 Cb 0.47 -2.89 0.00 0.00 -0.04 0.00 0.00 33.50 31.05 1xft n PRO 70 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1xft n GLY 71 N 4.42 0.42 3.74 0.55 0.00 -1.26 -5.03 105.19 108.05 1xft n GLY 71 Ca 0.20 -0.83 -0.34 0.00 0.00 0.00 0.00 46.02 45.05 1xft n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xft s SER 72 N -2.76 4.61 -0.21 1.61 0.15 0.32 -5.00 113.70 112.42 1xft s SER 72 Ca 0.00 2.18 0.04 0.00 0.70 0.00 0.00 55.95 58.87 1xft s SER 72 Cb 0.00 -2.57 -0.16 0.00 -1.71 0.00 0.00 66.02 61.58 1xft s SER 72 CO 0.00 -1.97 -0.15 0.29 1.20 0.00 0.00 173.24 172.61 1xft n LYS 73 N -2.59 0.68 -3.81 5.44 4.76 0.26 -4.98 118.16 117.91 1xft n LYS 73 Ca 0.12 0.10 -0.34 0.00 -2.87 0.00 0.00 58.31 55.32 1xft n LYS 73 Cb 0.51 -1.44 0.03 0.00 -1.84 0.00 0.00 35.03 32.28 1xft n LYS 73 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1xft n ASN 74 N -3.05 -4.28 0.06 4.39 2.85 -1.21 -4.79 115.26 109.23 1xft n ASN 74 Ca -0.37 -1.08 0.09 0.00 -0.11 0.00 0.00 54.58 53.11 1xft n ASN 74 Cb 0.95 -2.94 0.39 0.00 1.24 0.00 0.00 39.78 39.42 1xft n ASN 74 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1xft n LEU 75 N -4.41 0.29 0.20 1.20 4.32 -0.83 0.12 117.00 117.87 1xft n LEU 75 Ca -0.13 0.57 0.11 0.00 -0.02 0.00 0.00 56.01 56.54 1xft n LEU 75 Cb 0.60 -0.53 0.13 0.00 -1.62 0.00 0.00 43.42 42.00 1xft n LEU 75 CO 0.70 -0.38 0.67 0.00 -1.22 0.00 0.00 177.39 177.16 1xft n ASN 77 N -3.06 -5.73 -3.80 0.00 2.85 0.12 -4.96 115.26 100.67 1xft n ASN 77 Ca 0.03 -0.58 -0.25 0.00 -0.11 0.00 0.00 54.58 53.68 1xft n ASN 77 Cb 0.56 -4.55 -0.08 0.00 1.24 0.00 0.00 39.78 36.95 1xft n ASN 77 CO 0.00 0.00 0.00 2.30 -2.11 0.00 0.00 177.26 177.45 1xft n ILE 78 N -4.79 0.00 -2.47 -1.44 -5.35 -1.26 -5.01 119.36 99.03 1xft n ILE 78 Ca 0.00 -2.48 -0.41 0.00 -0.27 0.00 0.00 62.75 59.59 1xft n ILE 78 Cb 0.56 0.98 -0.04 0.00 -1.74 0.00 0.00 39.64 39.40 1xft n ILE 78 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 1xft s PRO 79 N -3.56 4.53 0.41 6.28 0.04 -1.26 0.83 135.00 142.27 1xft s PRO 79 Ca 0.26 1.74 0.13 0.00 0.04 0.00 0.00 61.00 63.18 1xft s PRO 79 Cb 0.01 -3.30 0.88 0.00 0.04 0.00 0.00 34.50 32.13 1xft s PRO 79 CO 0.19 -0.06 1.93 0.00 0.04 0.00 0.00 177.00 179.10 1xft h SER 81 N 0.04 -0.78 0.00 0.00 0.02 -1.91 -3.28 113.55 107.65 1xft h SER 81 Ca 0.01 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1xft h SER 81 Cb 0.43 0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.17 1xft h SER 81 CO 0.03 -0.45 0.54 0.00 -1.14 0.00 0.00 176.83 175.81 1xft n ALA 82 N -2.62 0.00 -0.07 3.77 0.00 -1.18 -1.47 120.51 118.93 1xft n ALA 82 Ca -0.11 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.10 1xft n ALA 82 Cb 0.36 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.69 1xft n ALA 82 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1xft n LEU 83 N -1.23 2.17 0.00 0.00 4.77 -1.24 -4.20 117.00 117.27 1xft n LEU 83 Ca 0.00 0.32 0.01 0.00 -0.03 0.00 0.00 56.01 56.31 1xft n LEU 83 Cb 0.54 -1.00 0.07 0.00 -2.33 0.00 0.00 43.42 40.70 1xft n LEU 83 CO 0.00 0.52 0.22 0.18 -1.33 0.00 0.00 177.39 176.98 1xft n LEU 84 N -4.06 0.00 -4.66 2.23 4.77 -0.54 -4.31 117.00 110.42 1xft n LEU 84 Ca -0.35 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.32 1xft n LEU 84 Cb 0.83 0.00 0.17 0.00 -2.33 0.00 0.00 43.42 42.09 1xft n LEU 84 CO 0.25 0.00 0.66 -1.54 -1.33 0.00 0.00 177.39 175.44 1xft n SER 85 N -0.76 0.32 -0.12 -1.43 3.41 -1.26 -2.18 113.62 111.59 1xft n SER 85 Ca 0.02 0.43 0.00 0.00 -0.26 0.00 0.00 58.87 59.05 1xft n SER 85 Cb 0.01 -1.47 0.00 0.00 -0.26 0.00 0.00 64.21 62.48 1xft n SER 85 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1xft n SER 86 N -4.14 0.16 -3.33 4.04 2.88 -1.26 -3.75 113.62 108.22 1xft n SER 86 Ca 0.12 -1.32 -0.12 0.00 -1.33 0.00 0.00 58.87 56.22 1xft n SER 86 Cb 0.52 -0.08 -0.07 0.00 -0.75 0.00 0.00 64.21 63.83 1xft n SER 86 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1xft s ASP 87 N -1.09 0.75 0.46 -3.46 -1.08 -1.26 -4.96 116.67 106.02 1xft s ASP 87 Ca 0.00 -0.79 0.23 0.00 -0.52 0.00 0.00 52.55 51.47 1xft s ASP 87 Cb 0.00 0.89 1.13 0.00 -1.46 0.00 0.00 42.92 43.48 1xft s ASP 87 CO 0.00 -0.33 1.94 0.16 0.52 0.00 0.00 175.17 177.47 1xft h ILE 88 N 5.84 0.74 -0.99 4.11 3.07 -1.75 -3.32 117.51 125.21 1xft h ILE 88 Ca -0.05 -0.88 0.36 0.00 1.55 0.00 0.00 64.86 65.83 1xft h ILE 88 Cb 1.10 1.54 -0.17 0.00 -0.27 0.00 0.00 36.82 39.02 1xft h ILE 88 CO 0.25 0.21 0.39 0.71 -1.05 0.00 0.00 178.15 178.67 1xft h THR 89 N 0.00 0.07 0.60 0.16 1.35 -1.93 0.59 112.91 113.74 1xft h THR 89 Ca -0.00 -0.02 -0.02 0.00 -0.55 0.00 0.00 66.41 65.82 1xft h THR 89 Cb 0.53 0.00 -0.02 0.00 -1.73 0.00 0.00 68.15 66.93 1xft h THR 89 CO 0.03 0.01 -0.51 0.00 -0.25 0.00 0.00 175.52 174.80 1xft h ALA 90 N 1.96 -1.20 -1.00 6.62 0.00 -1.89 1.16 119.26 124.91 1xft h ALA 90 Ca 0.75 -0.21 0.16 0.00 0.00 0.00 0.00 54.91 55.61 1xft h ALA 90 Cb 1.83 0.70 -0.10 0.00 0.00 0.00 0.00 17.79 20.23 1xft h ALA 90 CO -0.78 -1.21 0.62 0.66 0.00 0.00 0.00 179.25 178.54 1xft h SER 91 N -1.08 0.84 0.23 0.00 4.64 -0.58 0.30 113.55 117.89 1xft h SER 91 Ca -0.08 0.08 0.01 0.00 -0.47 0.00 0.00 61.79 61.33 1xft h SER 91 Cb 0.91 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 62.89 1xft h SER 91 CO -0.01 0.36 -0.36 0.58 -0.87 0.00 0.00 176.83 176.53 1xft h VAL 92 N 0.85 0.25 -0.98 0.95 2.07 0.12 3.09 116.25 122.61 1xft h VAL 92 Ca 0.55 0.00 0.21 0.00 0.82 0.00 0.00 66.70 68.28 1xft h VAL 92 Cb 0.74 0.25 -0.11 0.00 -1.52 0.00 0.00 31.29 30.64 1xft h VAL 92 CO -0.34 0.00 0.57 0.78 0.02 0.00 0.00 177.57 178.61 1xft h ASN 93 N -0.67 0.69 0.00 0.57 2.35 0.49 1.46 115.58 120.48 1xft h ASN 93 Ca 0.00 0.12 -0.00 0.00 -0.55 0.00 0.00 56.30 55.87 1xft h ASN 93 Cb 0.65 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.02 1xft h ASN 93 CO -0.14 0.18 -0.00 0.00 -1.65 0.00 0.00 177.43 175.82 1xft h ALA 95 N 0.12 0.61 -0.31 0.00 0.00 0.73 0.38 119.26 120.79 1xft h ALA 95 Ca -0.00 0.19 0.06 0.00 0.00 0.00 0.00 54.91 55.16 1xft h ALA 95 Cb 0.83 0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.89 1xft h ALA 95 CO 0.00 -0.39 -0.03 -0.22 0.00 0.00 0.00 179.25 178.61 1xft h LYS 96 N 0.12 0.05 -0.45 0.00 3.64 0.19 -0.61 116.57 119.50 1xft h LYS 96 Ca 0.32 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.68 1xft h LYS 96 Cb 0.52 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.31 1xft h LYS 96 CO -0.53 0.03 0.18 1.57 -2.27 0.00 0.00 179.45 178.44 1xft h LYS 97 N 0.05 0.64 0.00 1.90 2.10 -0.96 -1.65 116.57 118.65 1xft h LYS 97 Ca 0.15 -0.09 -0.00 0.00 -2.00 0.00 0.00 60.65 58.72 1xft h LYS 97 Cb 0.22 -0.12 -0.00 0.00 -0.90 0.00 0.00 32.23 31.43 1xft h LYS 97 CO -0.28 0.53 -0.00 0.82 -2.00 0.00 0.00 179.45 178.51 1xft h ILE 98 N 0.64 0.02 -0.00 0.07 2.04 0.63 0.40 117.51 121.30 1xft h ILE 98 Ca 0.16 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.96 1xft h ILE 98 Cb 0.13 1.05 0.00 0.00 -0.74 0.00 0.00 36.82 37.26 1xft h ILE 98 CO -0.02 0.00 -0.05 0.00 0.00 0.00 0.00 178.15 178.09 1xft n ALA 99 N -2.09 2.58 0.12 1.87 0.00 -0.62 -3.26 120.51 119.10 1xft n ALA 99 Ca -0.03 -0.18 0.01 0.00 0.00 0.00 0.00 53.44 53.25 1xft n ALA 99 Cb 0.09 -1.44 0.07 0.00 0.00 0.00 0.00 19.45 18.17 1xft n ALA 99 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1xft n SER 100 N -1.23 0.00 -4.86 0.00 7.64 0.13 -4.57 113.62 110.73 1xft n SER 100 Ca 0.13 0.38 -0.30 0.00 1.01 0.00 0.00 58.87 60.09 1xft n SER 100 Cb 0.26 -0.40 0.06 0.00 -1.01 0.00 0.00 64.21 63.12 1xft n SER 100 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1xft s GLY 101 N -2.79 1.63 0.14 0.23 0.00 -1.20 -4.99 107.32 100.33 1xft s GLY 101 Ca 0.02 -0.28 -0.14 0.00 0.00 0.00 0.00 44.72 44.31 1xft s GLY 101 CO 0.05 0.09 1.68 -1.33 0.00 0.00 0.00 173.10 173.59 1xft h GLY 102 N -0.74 0.76 -0.06 0.20 0.00 -1.93 -3.31 103.07 97.99 1xft h GLY 102 Ca -0.45 -0.44 0.24 0.00 0.00 0.00 0.00 47.33 46.68 1xft h GLY 102 CO 0.62 0.41 0.63 3.43 0.00 0.00 0.00 176.54 181.63 1xft h ASN 103 N 0.60 0.61 0.00 0.19 2.35 -1.94 -3.48 115.58 113.91 1xft h ASN 103 Ca 0.15 0.10 0.00 0.00 -0.55 0.00 0.00 56.30 56.00 1xft h ASN 103 Cb 0.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.61 1xft h ASN 103 CO -0.01 0.14 0.00 0.61 -1.65 0.00 0.00 177.43 176.52 1xft n GLY 104 N -1.38 0.21 0.27 2.83 0.00 -1.25 -2.88 105.19 102.99 1xft n GLY 104 Ca 0.25 -0.90 0.12 0.00 0.00 0.00 0.00 46.02 45.49 1xft n GLY 104 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1xft h MET 105 N 0.00 0.00 -0.97 1.61 2.86 -1.93 -1.69 114.93 114.81 1xft h MET 105 Ca 0.00 0.00 0.28 0.00 -2.06 0.00 0.00 59.70 57.92 1xft h MET 105 Cb 0.00 0.00 -0.14 0.00 0.06 0.00 0.00 31.60 31.52 1xft h MET 105 CO 0.00 0.00 0.49 -0.91 1.06 0.00 0.00 176.91 177.55 1xft h ASN 106 N 0.00 0.43 0.00 1.22 2.35 -1.93 1.09 115.58 118.74 1xft h ASN 106 Ca 0.00 0.18 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 1xft h ASN 106 Cb 0.65 0.14 0.00 0.00 0.05 0.00 0.00 38.32 39.16 1xft h ASN 106 CO 0.00 -0.08 0.03 0.00 -1.65 0.00 0.00 177.43 175.73 1xft n ALA 107 N -2.39 0.99 -3.82 -0.83 0.00 -0.64 -2.36 120.51 111.46 1xft n ALA 107 Ca 0.28 0.14 -0.35 0.00 0.00 0.00 0.00 53.44 53.51 1xft n ALA 107 Cb 0.85 -1.17 -0.13 0.00 0.00 0.00 0.00 19.45 19.00 1xft n ALA 107 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1xft s TRP 108 N -3.36 3.56 0.31 0.00 0.51 0.38 -4.84 118.94 115.50 1xft s TRP 108 Ca -0.02 -2.45 0.11 0.00 -2.12 0.00 0.00 56.10 51.63 1xft s TRP 108 Cb 0.04 -2.89 0.51 0.00 -0.81 0.00 0.00 33.47 30.32 1xft s TRP 108 CO 0.13 -0.93 1.70 -0.24 -0.51 0.00 0.00 176.95 177.11 1xft h VAL 109 N 6.46 1.37 -1.03 4.03 3.04 -1.64 -1.08 116.25 127.38 1xft h VAL 109 Ca -0.13 -1.75 0.26 0.00 -1.01 0.00 0.00 66.70 64.08 1xft h VAL 109 Cb 1.04 1.93 -0.11 0.00 -2.01 0.00 0.00 31.29 32.15 1xft h VAL 109 CO 0.61 0.50 0.64 0.00 -1.01 0.00 0.00 177.57 178.32 1xft h ALA 110 N 1.48 2.05 0.12 3.17 0.00 -1.88 9.39 119.26 133.58 1xft h ALA 110 Ca -0.00 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1xft h ALA 110 Cb 0.90 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 1xft h ALA 110 CO 0.07 -0.49 -0.06 2.35 0.00 0.00 0.00 179.25 181.11 1xft h TRP 111 N 0.47 -0.16 0.00 0.00 7.01 -1.50 1.31 115.95 123.07 1xft h TRP 111 Ca 0.62 -0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.62 1xft h TRP 111 Cb 1.41 0.06 -0.00 0.00 -2.10 0.00 0.00 29.16 28.53 1xft h TRP 111 CO -0.00 -0.10 -0.01 -0.09 -2.79 0.00 0.00 178.44 175.45 1xft h ARG 112 N -0.17 0.00 0.19 2.65 2.43 0.38 5.39 114.38 125.25 1xft h ARG 112 Ca -0.01 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 1xft h ARG 112 Cb 0.14 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 1xft h ARG 112 CO 0.02 0.01 -0.09 -0.91 -1.51 0.00 0.00 179.97 177.49 1xft h ASN 113 N 0.00 -0.22 0.00 -3.80 2.35 2.05 -3.39 115.58 112.57 1xft h ASN 113 Ca -0.00 -0.29 0.00 0.00 -0.55 0.00 0.00 56.30 55.46 1xft h ASN 113 Cb 0.53 0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.95 1xft h ASN 113 CO 0.00 0.31 -0.23 0.54 -1.65 0.00 0.00 177.43 176.40 1xft n ARG 114 N -4.95 0.12 0.33 0.81 5.12 0.44 -4.76 116.66 113.77 1xft n ARG 114 Ca -0.07 0.05 0.19 0.00 -1.93 0.00 0.00 57.85 56.09 1xft n ARG 114 Cb 0.25 -0.62 1.02 0.00 -1.16 0.00 0.00 32.46 31.95 1xft n ARG 114 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1xft s LYS 116 N -4.10 4.38 0.00 0.00 2.20 1.62 -3.82 119.74 120.02 1xft s LYS 116 Ca -0.04 0.67 0.00 0.00 -0.36 0.00 0.00 55.97 56.24 1xft s LYS 116 Cb 0.11 -3.43 0.00 0.00 -1.51 0.00 0.00 37.83 33.00 1xft s LYS 116 CO 0.34 0.15 0.00 0.41 -0.36 0.00 0.00 175.35 175.89 1xft n GLY 117 N 3.08 0.69 3.95 5.54 0.00 -1.26 -4.86 105.19 112.33 1xft n GLY 117 Ca -0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.74 1xft n GLY 117 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1xft s THR 118 N -2.97 5.25 -0.93 2.61 -1.32 -1.25 -5.03 115.64 112.00 1xft s THR 118 Ca 0.00 -0.73 -0.24 0.00 -1.21 0.00 0.00 61.69 59.51 1xft s THR 118 Cb 0.00 -3.81 0.02 0.00 -1.51 0.00 0.00 72.50 67.20 1xft s THR 118 CO 0.00 -0.27 1.58 -0.62 -2.21 0.00 0.00 174.62 173.10 1xft s ASP 119 N -3.66 6.04 0.52 8.08 -1.08 -1.26 -4.83 116.67 120.48 1xft s ASP 119 Ca 0.36 -1.03 0.31 0.00 -0.52 0.00 0.00 52.55 51.67 1xft s ASP 119 Cb -0.10 -2.56 1.14 0.00 -1.46 0.00 0.00 42.92 39.94 1xft s ASP 119 CO 0.30 -1.92 1.90 -0.37 0.52 0.00 0.00 175.17 175.60 1xft h VAL 120 N 6.83 0.00 -0.00 1.11 -1.51 -1.91 -2.26 116.25 118.51 1xft h VAL 120 Ca 0.09 -0.61 0.00 0.00 -1.23 0.00 0.00 66.70 64.95 1xft h VAL 120 Cb 1.02 1.60 0.00 0.00 -2.13 0.00 0.00 31.29 31.78 1xft h VAL 120 CO 1.34 0.00 -0.18 1.41 -1.23 0.00 0.00 177.57 178.91 1xft n HIS 121 N -3.07 0.00 0.00 5.19 8.25 -1.26 -2.89 115.22 121.44 1xft n HIS 121 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 1xft n HIS 121 Cb 0.35 -0.37 0.01 0.00 1.12 0.00 0.00 29.99 31.10 1xft n HIS 121 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1xft n ALA 122 N -1.42 0.84 -0.13 -1.41 0.00 -0.85 -0.44 120.51 117.10 1xft n ALA 122 Ca 0.08 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.25 1xft n ALA 122 Cb 0.33 -0.84 -0.11 0.00 0.00 0.00 0.00 19.45 18.83 1xft n ALA 122 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1xft n TRP 123 N -1.44 0.33 -0.12 0.00 7.02 -1.14 -4.68 117.44 117.41 1xft n TRP 123 Ca -0.00 0.14 -0.05 0.00 -1.02 0.00 0.00 57.50 56.56 1xft n TRP 123 Cb 0.08 -1.03 0.01 0.00 -2.42 0.00 0.00 31.31 27.95 1xft n TRP 123 CO 0.00 0.00 0.00 -0.84 -2.02 0.00 0.00 177.69 174.83 1xft h ILE 124 N -0.92 0.40 -3.97 -0.99 3.07 -0.90 -3.45 117.51 110.75 1xft h ILE 124 Ca -0.59 0.00 -0.53 0.00 1.55 0.00 0.00 64.86 65.29 1xft h ILE 124 Cb 1.55 0.40 0.10 0.00 -0.27 0.00 0.00 36.82 38.60 1xft h ILE 124 CO -0.33 0.00 0.63 -0.13 -1.05 0.00 0.00 178.15 177.27 1xft s ARG 125 N -6.14 3.80 -0.67 0.16 0.52 -1.10 -3.37 118.95 112.15 1xft s ARG 125 Ca -0.14 2.21 0.00 0.00 -0.52 0.00 0.00 55.73 57.28 1xft s ARG 125 Cb 0.15 -2.66 0.00 0.00 0.52 0.00 0.00 34.95 32.96 1xft s ARG 125 CO 0.70 -0.65 0.00 0.41 0.02 0.00 0.00 175.30 175.78 1xft n GLY 126 N 0.63 0.40 3.41 -3.53 0.00 -1.26 -5.01 105.19 99.83 1xft n GLY 126 Ca 0.05 -0.64 -0.07 0.00 0.00 0.00 0.00 46.02 45.36 1xft n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32