#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xfp s VAL 2 N 0.00 4.70 0.57 3.15 1.01 -1.26 -0.83 120.40 127.75 1xfp s VAL 2 Ca 0.00 -0.91 -0.16 0.00 0.00 0.00 0.00 61.98 60.91 1xfp s VAL 2 Cb 0.00 -3.67 -0.05 0.00 0.00 0.00 0.00 36.38 32.66 1xfp s VAL 2 CO 0.00 -0.31 1.04 -0.36 0.00 0.00 0.00 175.10 175.47 1xfp s PHE 3 N 1.57 3.09 0.47 5.22 0.40 -0.27 -4.99 117.98 123.46 1xfp s PHE 3 Ca 0.03 1.50 -0.05 0.00 -0.60 0.00 0.00 56.93 57.80 1xfp s PHE 3 Cb -0.20 -2.96 -0.04 0.00 0.51 0.00 0.00 43.02 40.33 1xfp s PHE 3 CO 0.07 -0.95 0.77 0.20 0.70 0.00 0.00 175.22 176.01 1xfp s GLY 4 N -2.83 1.54 0.11 4.36 0.00 -1.26 -4.83 107.32 104.40 1xfp s GLY 4 Ca 0.63 -0.49 -0.30 0.00 0.00 0.00 0.00 44.72 44.56 1xfp s GLY 4 CO 0.35 -0.33 1.61 -0.09 0.00 0.00 0.00 173.10 174.64 1xfp h ARG 5 N 0.37 -0.60 -0.16 2.90 2.43 -1.97 -0.42 114.38 116.93 1xfp h ARG 5 Ca -0.47 0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 58.64 1xfp h ARG 5 Cb 1.20 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.88 1xfp h ARG 5 CO 0.62 -0.40 -0.32 0.00 -1.51 0.00 0.00 179.97 178.36 1xfp h GLU 7 N 0.28 0.95 -0.37 0.00 4.81 -1.88 -0.78 114.58 117.59 1xfp h GLU 7 Ca 0.04 -0.16 -0.16 0.00 -0.13 0.00 0.00 59.36 58.95 1xfp h GLU 7 Cb 0.71 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 1xfp h GLU 7 CO 0.05 0.78 -0.39 1.25 -0.73 0.00 0.00 179.01 179.97 1xfp h LEU 8 N 0.91 0.98 -0.49 1.64 5.85 -0.80 -2.22 115.31 121.17 1xfp h LEU 8 Ca 0.22 -0.47 0.04 0.00 0.84 0.00 0.00 57.88 58.51 1xfp h LEU 8 Cb 0.16 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.87 1xfp h LEU 8 CO -0.02 1.25 0.26 0.00 -0.34 0.00 0.00 178.44 179.59 1xfp h ALA 9 N 0.76 0.63 -0.67 1.25 0.00 -0.94 0.75 119.26 121.03 1xfp h ALA 9 Ca 0.06 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1xfp h ALA 9 Cb 0.99 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 1xfp h ALA 9 CO 0.10 -0.08 0.24 0.00 0.00 0.00 0.00 179.25 179.51 1xfp h ALA 10 N 1.25 0.87 -0.52 0.00 0.00 -1.07 -1.10 119.26 118.70 1xfp h ALA 10 Ca 0.21 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1xfp h ALA 10 Cb 0.10 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1xfp h ALA 10 CO -0.14 0.52 -0.04 0.00 0.00 0.00 0.00 179.25 179.60 1xfp h ALA 11 N 1.10 0.70 -0.40 0.00 0.00 -0.85 -1.45 119.26 118.37 1xfp h ALA 11 Ca 0.22 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 1xfp h ALA 11 Cb 0.25 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1xfp h ALA 11 CO -0.01 0.55 -0.08 0.52 0.00 0.00 0.00 179.25 180.23 1xfp h MET 12 N 0.81 0.68 -0.45 0.00 2.86 -0.67 -1.87 114.93 116.29 1xfp h MET 12 Ca 0.14 -0.20 -0.11 0.00 -2.06 0.00 0.00 59.70 57.48 1xfp h MET 12 Cb 0.58 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.15 1xfp h MET 12 CO 0.03 0.75 -0.14 -0.22 1.06 0.00 0.00 176.91 178.39 1xfp h LYS 13 N 0.62 0.88 -0.35 1.72 3.64 -0.99 -1.47 116.57 120.62 1xfp h LYS 13 Ca 0.12 -0.35 -0.01 0.00 -1.27 0.00 0.00 60.65 59.14 1xfp h LYS 13 Cb 0.51 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.26 1xfp h LYS 13 CO 0.03 1.00 0.19 0.00 -2.27 0.00 0.00 179.45 178.40 1xfp h ARG 14 N 0.72 0.48 -0.56 1.90 3.08 -0.95 -1.23 114.38 117.82 1xfp h ARG 14 Ca 0.11 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1xfp h ARG 14 Cb 0.69 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.64 1xfp h ARG 14 CO 0.05 0.35 0.00 0.72 -1.07 0.00 0.00 179.97 180.02 1xfp n HIS 15 N -4.45 0.71 -1.90 3.04 8.25 -0.73 -4.94 115.22 115.21 1xfp n HIS 15 Ca 0.02 -0.29 -0.08 0.00 -0.26 0.00 0.00 57.72 57.12 1xfp n HIS 15 Cb 0.09 -0.14 -0.01 0.00 1.12 0.00 0.00 29.99 31.06 1xfp n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1xfp n GLY 16 N 0.72 0.30 0.14 -1.41 0.00 -0.46 -4.96 105.19 99.53 1xfp n GLY 16 Ca 0.12 -0.59 0.12 0.00 0.00 0.00 0.00 46.02 45.67 1xfp n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1xfp h LEU 17 N 0.00 0.00 -9.20 0.99 3.38 -1.47 -3.40 115.31 105.60 1xfp h LEU 17 Ca -0.18 -0.03 -0.55 0.00 0.09 0.00 0.00 57.88 57.20 1xfp h LEU 17 Cb 0.97 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.72 1xfp h LEU 17 CO 0.22 0.02 1.24 -0.62 0.09 0.00 0.00 178.44 179.40 1xfp s ASP 18 N -5.40 6.26 -0.34 -0.43 2.15 -1.26 -1.46 116.67 116.18 1xfp s ASP 18 Ca 0.05 2.23 0.00 0.00 0.43 0.00 0.00 52.55 55.26 1xfp s ASP 18 Cb 0.09 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 1xfp s ASP 18 CO 0.71 -1.26 0.00 0.59 -0.17 0.00 0.00 175.17 175.04 1xfp n ASN 19 N 8.53 -4.36 -4.71 -0.34 3.02 -0.02 -4.84 115.26 112.54 1xfp n ASN 19 Ca 0.21 0.08 -0.42 0.00 -0.03 0.00 0.00 54.58 54.42 1xfp n ASN 19 Cb 0.43 -2.14 -0.03 0.00 -0.61 0.00 0.00 39.78 37.43 1xfp n ASN 19 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1xfp s TYR 20 N -1.80 3.01 -1.30 3.10 5.04 -0.54 -1.98 117.35 122.88 1xfp s TYR 20 Ca 0.00 0.64 -0.00 0.00 -2.44 0.00 0.00 57.07 55.27 1xfp s TYR 20 Cb 0.00 -3.89 0.00 0.00 0.35 0.00 0.00 41.96 38.43 1xfp s TYR 20 CO 0.00 -3.29 0.04 0.54 -1.34 0.00 0.00 175.55 171.50 1xfp n ARG 21 N 4.21 -2.20 -0.80 4.97 5.12 -1.26 -1.47 116.66 125.22 1xfp n ARG 21 Ca 0.14 0.73 0.00 0.00 -1.93 0.00 0.00 57.85 56.79 1xfp n ARG 21 Cb 0.39 -5.36 0.00 0.00 -1.16 0.00 0.00 32.46 26.33 1xfp n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1xfp n GLY 22 N -0.91 0.66 3.32 -0.13 0.00 -0.84 -5.02 105.19 102.27 1xfp n GLY 22 Ca -0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 1xfp n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xfp s TYR 23 N -2.30 3.22 0.79 1.61 2.02 -0.55 -4.95 117.35 117.20 1xfp s TYR 23 Ca 0.00 -1.20 -0.14 0.00 -0.37 0.00 0.00 57.07 55.37 1xfp s TYR 23 Cb 0.00 -2.30 0.07 0.00 -0.40 0.00 0.00 41.96 39.33 1xfp s TYR 23 CO 0.00 -0.67 1.21 -1.54 -1.57 0.00 0.00 175.55 172.99 1xfp s SER 24 N 1.46 3.71 0.31 2.29 1.04 -1.26 -0.84 113.70 120.41 1xfp s SER 24 Ca 0.00 2.38 0.06 0.00 0.48 0.00 0.00 55.95 58.87 1xfp s SER 24 Cb -0.19 -2.59 0.84 0.00 0.10 0.00 0.00 66.02 64.18 1xfp s SER 24 CO 0.03 -2.59 1.63 0.25 0.98 0.00 0.00 173.24 173.55 1xfp h LEU 25 N -0.76 0.03 -1.87 2.42 5.85 -1.88 -1.14 115.31 117.95 1xfp h LEU 25 Ca -0.47 0.22 0.12 0.00 0.84 0.00 0.00 57.88 58.59 1xfp h LEU 25 Cb 1.30 0.28 -0.03 0.00 0.37 0.00 0.00 40.66 42.59 1xfp h LEU 25 CO 0.47 -0.21 0.36 1.23 -0.34 0.00 0.00 178.44 179.94 1xfp h GLY 26 N 0.17 0.21 1.01 3.75 0.00 -1.90 -1.52 103.07 104.78 1xfp h GLY 26 Ca 0.62 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.89 1xfp h GLY 26 CO -0.70 0.03 0.47 3.43 0.00 0.00 0.00 176.54 179.76 1xfp h ASN 27 N 0.14 0.85 -0.21 0.19 2.35 -1.43 -0.07 115.58 117.41 1xfp h ASN 27 Ca 0.24 -0.04 -0.17 0.00 -0.55 0.00 0.00 56.30 55.78 1xfp h ASN 27 Cb 0.78 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.93 1xfp h ASN 27 CO -0.03 0.64 -0.50 -0.50 -1.65 0.00 0.00 177.43 175.39 1xfp h TRP 28 N 0.99 0.97 -0.30 1.19 4.06 -1.41 -0.81 115.95 120.65 1xfp h TRP 28 Ca 0.27 -0.32 -0.07 0.00 2.06 0.00 0.00 58.89 60.82 1xfp h TRP 28 Cb -0.08 -0.19 -0.01 0.00 -1.00 0.00 0.00 29.16 27.88 1xfp h TRP 28 CO -0.02 1.12 -0.08 0.28 -3.56 0.00 0.00 178.44 176.18 1xfp h VAL 29 N 0.61 1.28 -0.55 1.49 2.07 -1.26 -1.58 116.25 118.31 1xfp h VAL 29 Ca 0.03 -1.12 -0.02 0.00 0.82 0.00 0.00 66.70 66.41 1xfp h VAL 29 Cb 1.08 1.40 -0.03 0.00 -1.52 0.00 0.00 31.29 32.22 1xfp h VAL 29 CO 0.11 0.36 0.26 0.00 0.02 0.00 0.00 177.57 178.32 1xfp h ALA 31 N 1.10 0.65 -0.59 0.00 0.00 -1.03 -2.11 119.26 117.29 1xfp h ALA 31 Ca 0.19 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1xfp h ALA 31 Cb 0.13 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1xfp h ALA 31 CO -0.02 0.10 0.18 0.00 0.00 0.00 0.00 179.25 179.50 1xfp h ALA 32 N 1.19 1.21 0.08 0.00 0.00 -0.98 -1.02 119.26 119.73 1xfp h ALA 32 Ca 0.19 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xfp h ALA 32 Cb -0.08 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1xfp h ALA 32 CO -0.04 0.56 -0.08 -0.22 0.00 0.00 0.00 179.25 179.47 1xfp h LYS 33 N 0.86 -0.17 0.00 0.00 1.63 -0.60 -0.71 116.57 117.58 1xfp h LYS 33 Ca 0.19 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.01 1xfp h LYS 33 Cb 0.26 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.93 1xfp h LYS 33 CO -0.01 -0.11 0.00 0.74 -3.45 0.00 0.00 179.45 176.62 1xfp h PHE 34 N -0.18 0.00 0.08 1.91 0.04 -1.19 0.23 116.94 117.84 1xfp h PHE 34 Ca 0.01 0.00 -0.31 0.00 2.80 0.00 0.00 57.97 60.46 1xfp h PHE 34 Cb 0.17 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.30 1xfp h PHE 34 CO -0.11 0.00 -1.71 0.93 -0.60 0.00 0.00 178.31 176.82 1xfp h GLU 35 N 0.00 0.17 0.00 1.51 4.39 -1.02 -3.44 114.58 116.19 1xfp h GLU 35 Ca 0.00 -0.29 0.00 0.00 0.34 0.00 0.00 59.36 59.41 1xfp h GLU 35 Cb 0.70 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.45 1xfp h GLU 35 CO 0.00 1.14 0.00 -1.13 -1.16 0.00 0.00 179.01 177.86 1xfp n SER 36 N -3.85 0.32 -3.16 1.42 3.41 -0.31 -4.81 113.62 106.64 1xfp n SER 36 Ca -0.32 -0.81 -0.23 0.00 -0.26 0.00 0.00 58.87 57.25 1xfp n SER 36 Cb 0.91 0.10 0.03 0.00 -0.26 0.00 0.00 64.21 64.99 1xfp n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1xfp n ASN 37 N -0.10 -5.71 -0.42 4.04 5.15 0.07 -1.88 115.26 116.41 1xfp n ASN 37 Ca 0.00 -0.34 -0.05 0.00 -0.60 0.00 0.00 54.58 53.58 1xfp n ASN 37 Cb 0.11 -4.61 -0.02 0.00 -0.53 0.00 0.00 39.78 34.72 1xfp n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1xfp n PHE 38 N -4.47 0.00 -3.32 1.20 3.72 -1.21 -4.85 117.46 108.52 1xfp n PHE 38 Ca -0.08 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.90 1xfp n PHE 38 Cb 0.60 -1.57 -0.09 0.00 -0.94 0.00 0.00 39.48 37.49 1xfp n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1xfp s ASN 39 N -2.43 6.22 0.56 4.37 3.84 -0.79 -1.12 114.94 125.60 1xfp s ASN 39 Ca 0.00 -0.34 0.30 0.00 0.21 0.00 0.00 52.86 53.03 1xfp s ASN 39 Cb 0.00 -2.23 1.65 0.00 -0.55 0.00 0.00 41.25 40.12 1xfp s ASN 39 CO 0.00 -0.48 2.15 0.71 -2.79 0.00 0.00 177.10 176.69 1xfp h THR 40 N 5.64 0.45 -0.37 -5.21 1.35 -1.29 -2.18 112.91 111.31 1xfp h THR 40 Ca -0.28 -0.34 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 1xfp h THR 40 Cb 1.13 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 68.78 1xfp h THR 40 CO 0.76 0.07 0.00 0.00 -0.25 0.00 0.00 175.52 176.10 1xfp n GLN 41 N -3.59 1.86 -2.02 4.72 6.02 -1.26 -3.87 117.38 119.25 1xfp n GLN 41 Ca -0.02 -1.34 -0.41 0.00 -0.01 0.00 0.00 57.00 55.22 1xfp n GLN 41 Cb 0.19 -1.29 -0.02 0.00 1.02 0.00 0.00 30.24 30.13 1xfp n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1xfp s ALA 42 N -1.51 3.61 0.03 -1.58 0.00 -0.82 -4.84 121.76 116.65 1xfp s ALA 42 Ca 0.25 1.33 -0.06 0.00 0.00 0.00 0.00 51.96 53.48 1xfp s ALA 42 Cb 0.13 -3.55 -0.01 0.00 0.00 0.00 0.00 23.12 19.69 1xfp s ALA 42 CO 0.17 -0.74 0.10 0.95 0.00 0.00 0.00 175.76 176.24 1xfp s THR 43 N -0.21 0.12 -0.09 0.00 -4.23 -1.26 -0.98 115.64 108.99 1xfp s THR 43 Ca 0.58 -0.98 -0.04 0.00 -1.18 0.00 0.00 61.69 60.06 1xfp s THR 43 Cb -0.42 -0.75 0.04 0.00 1.34 0.00 0.00 72.50 72.72 1xfp s THR 43 CO 0.45 -0.54 0.19 0.21 -0.54 0.00 0.00 174.62 174.39 1xfp s ASN 44 N -1.91 -0.05 0.02 3.99 3.84 -0.72 -4.96 114.94 115.15 1xfp s ASN 44 Ca -0.08 0.41 -0.20 0.00 0.21 0.00 0.00 52.86 53.20 1xfp s ASN 44 Cb -0.03 0.31 -0.06 0.00 -0.55 0.00 0.00 41.25 40.92 1xfp s ASN 44 CO -0.03 -0.17 0.57 -0.60 -2.79 0.00 0.00 177.10 174.08 1xfp s ARG 45 N 1.41 4.26 0.33 0.43 6.06 -1.26 -0.79 118.95 129.39 1xfp s ARG 45 Ca -0.07 0.70 0.08 0.00 -2.50 0.00 0.00 55.73 53.94 1xfp s ARG 45 Cb -0.11 -3.31 -0.04 0.00 0.06 0.00 0.00 34.95 31.55 1xfp s ARG 45 CO -0.07 0.46 0.17 -0.80 -2.50 0.00 0.00 175.30 172.57 1xfp s ASN 46 N -0.49 4.87 0.54 -2.12 0.01 -0.27 -5.00 114.94 112.47 1xfp s ASN 46 Ca 0.30 -0.67 0.20 0.00 -0.71 0.00 0.00 52.86 51.98 1xfp s ASN 46 Cb -0.18 -0.83 1.39 0.00 0.41 0.00 0.00 41.25 42.03 1xfp s ASN 46 CO 0.17 -0.28 2.15 0.71 -1.51 0.00 0.00 177.10 178.34 1xfp h THR 47 N 1.49 0.88 -0.06 1.60 1.35 -1.99 -1.79 112.91 114.38 1xfp h THR 47 Ca -0.44 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.42 1xfp h THR 47 Cb 1.25 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 68.64 1xfp h THR 47 CO 0.62 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 174.99 1xfp n ASP 48 N -4.38 0.64 0.00 5.36 3.85 -1.26 -4.87 116.55 115.89 1xfp n ASP 48 Ca -0.02 -1.54 0.00 0.00 -0.71 0.00 0.00 54.79 52.52 1xfp n ASP 48 Cb 0.14 -0.04 0.00 0.00 -1.35 0.00 0.00 41.12 39.87 1xfp n ASP 48 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1xfp n GLY 49 N 0.91 0.92 3.92 6.12 0.00 -0.67 -5.03 105.19 111.36 1xfp n GLY 49 Ca 0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.89 1xfp n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xfp s SER 50 N -3.01 4.90 0.01 1.61 1.04 -1.26 -4.79 113.70 112.21 1xfp s SER 50 Ca 0.00 0.65 0.01 0.00 0.48 0.00 0.00 55.95 57.09 1xfp s SER 50 Cb 0.00 -1.32 -0.01 0.00 0.10 0.00 0.00 66.02 64.79 1xfp s SER 50 CO 0.00 -1.58 -0.04 -0.89 0.98 0.00 0.00 173.24 171.71 1xfp s THR 51 N -3.31 0.26 -0.17 2.02 2.01 -1.26 -1.11 115.64 114.08 1xfp s THR 51 Ca 0.60 -0.46 -0.09 0.00 0.31 0.00 0.00 61.69 62.04 1xfp s THR 51 Cb -0.11 -0.29 -0.05 0.00 0.01 0.00 0.00 72.50 72.07 1xfp s THR 51 CO 0.47 -0.13 0.13 -1.81 -0.69 0.00 0.00 174.62 172.58 1xfp s ASP 52 N -0.64 6.26 0.01 3.53 1.01 0.03 -1.02 116.67 125.86 1xfp s ASP 52 Ca -0.04 0.31 0.07 0.00 0.71 0.00 0.00 52.55 53.59 1xfp s ASP 52 Cb -0.05 -2.08 -0.02 0.00 1.01 0.00 0.00 42.92 41.78 1xfp s ASP 52 CO -0.00 0.26 -0.22 -0.31 0.21 0.00 0.00 175.17 175.11 1xfp s TYR 53 N -0.10 1.94 0.00 4.23 1.51 0.37 -1.75 117.35 123.55 1xfp s TYR 53 Ca 0.10 -0.37 0.00 0.00 -1.01 0.00 0.00 57.07 55.79 1xfp s TYR 53 Cb -0.11 -1.20 0.00 0.00 -0.11 0.00 0.00 41.96 40.53 1xfp s TYR 53 CO 0.00 0.03 0.00 0.41 -1.11 0.00 0.00 175.55 174.88 1xfp n GLY 54 N 2.22 -2.07 0.31 0.71 0.00 -0.16 -1.29 105.19 104.92 1xfp n GLY 54 Ca -0.16 -1.42 0.14 0.00 0.00 0.00 0.00 46.02 44.58 1xfp n GLY 54 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1xfp h ILE 55 N -0.02 0.69 -0.21 -0.61 3.07 -1.73 -1.62 117.51 117.08 1xfp h ILE 55 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 1xfp h ILE 55 Cb 0.02 0.92 0.00 0.00 -0.27 0.00 0.00 36.82 37.48 1xfp h ILE 55 CO 0.00 0.00 0.00 0.18 -1.05 0.00 0.00 178.15 177.28 1xfp n LEU 56 N -4.13 3.01 -3.93 0.16 4.77 -1.26 -3.70 117.00 111.93 1xfp n LEU 56 Ca 0.00 -2.49 -0.39 0.00 -0.03 0.00 0.00 56.01 53.10 1xfp n LEU 56 Cb 0.23 -0.33 0.02 0.00 -2.33 0.00 0.00 43.42 41.01 1xfp n LEU 56 CO 0.31 0.67 -0.15 0.00 -1.33 0.00 0.00 177.39 176.89 1xfp n GLN 57 N -0.27 -0.67 -2.89 3.23 1.13 -0.61 -4.91 117.38 112.40 1xfp n GLN 57 Ca 0.14 0.29 -0.41 0.00 -1.94 0.00 0.00 57.00 55.08 1xfp n GLN 57 Cb 0.58 -2.90 -0.04 0.00 0.11 0.00 0.00 30.24 27.99 1xfp n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1xfp s ILE 58 N -3.42 4.89 0.06 5.09 1.01 -0.41 -4.38 121.20 124.04 1xfp s ILE 58 Ca 0.41 1.75 -0.29 0.00 0.00 0.00 0.00 60.65 62.51 1xfp s ILE 58 Cb -0.20 -4.18 -0.05 0.00 0.01 0.00 0.00 42.46 38.04 1xfp s ILE 58 CO 0.93 0.24 0.92 0.21 0.00 0.00 0.00 174.94 177.25 1xfp s ASN 59 N 0.67 7.40 0.08 3.58 3.84 -1.26 -0.48 114.94 128.77 1xfp s ASN 59 Ca 0.44 1.68 0.20 0.00 0.21 0.00 0.00 52.86 55.39 1xfp s ASN 59 Cb -0.20 -2.56 0.83 0.00 -0.55 0.00 0.00 41.25 38.77 1xfp s ASN 59 CO 0.23 -0.10 1.63 -1.54 -2.79 0.00 0.00 177.10 174.53 1xfp n SER 60 N 3.11 0.22 0.04 -4.21 3.41 -0.18 -1.32 113.62 114.69 1xfp n SER 60 Ca 0.02 0.54 0.13 0.00 -0.26 0.00 0.00 58.87 59.30 1xfp n SER 60 Cb 0.50 -0.59 0.33 0.00 -0.26 0.00 0.00 64.21 64.19 1xfp n SER 60 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1xfp n ARG 61 N -1.73 0.14 0.00 4.33 0.63 -1.26 -4.42 116.66 114.34 1xfp n ARG 61 Ca 0.04 0.06 0.00 0.00 -0.92 0.00 0.00 57.85 57.03 1xfp n ARG 61 Cb 0.23 -1.61 0.00 0.00 0.45 0.00 0.00 32.46 31.53 1xfp n ARG 61 CO 0.00 0.00 0.00 0.91 -2.51 0.00 0.00 177.63 176.03 1xfp n TRP 62 N -1.83 0.00 -0.02 -0.14 7.02 -1.12 -1.68 117.44 119.67 1xfp n TRP 62 Ca 0.05 0.00 0.08 0.00 -1.02 0.00 0.00 57.50 56.61 1xfp n TRP 62 Cb 0.39 0.04 -0.16 0.00 -2.42 0.00 0.00 31.31 29.16 1xfp n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1xfp n TRP 63 N -2.60 0.00 -4.10 -5.99 7.02 -0.43 -1.08 117.44 110.27 1xfp n TRP 63 Ca 0.00 0.00 -0.11 0.00 -1.02 0.00 0.00 57.50 56.37 1xfp n TRP 63 Cb 0.42 -0.53 -0.07 0.00 -2.42 0.00 0.00 31.31 28.70 1xfp n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1xfp s ASN 65 N -3.10 4.01 0.00 0.00 2.47 -0.28 -4.56 114.94 113.47 1xfp s ASN 65 Ca 0.30 -0.35 0.00 0.00 0.42 0.00 0.00 52.86 53.24 1xfp s ASN 65 Cb 0.03 -1.62 0.00 0.00 -1.45 0.00 0.00 41.25 38.21 1xfp s ASN 65 CO 0.11 0.14 0.54 -0.90 -3.72 0.00 0.00 177.10 173.27 1xfp n ASP 66 N 3.69 0.98 0.00 -4.21 5.68 -1.26 -0.92 116.55 120.51 1xfp n ASP 66 Ca -0.18 -1.26 0.00 0.00 -0.50 0.00 0.00 54.79 52.85 1xfp n ASP 66 Cb 0.52 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 1xfp n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1xfp n GLY 67 N -0.13 0.70 0.05 6.12 0.00 -1.26 -4.85 105.19 105.82 1xfp n GLY 67 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 1xfp n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xfp n ARG 68 N -2.00 0.16 -3.43 1.61 1.74 -1.26 -4.33 116.66 109.15 1xfp n ARG 68 Ca 0.00 0.10 -0.26 0.00 -0.77 0.00 0.00 57.85 56.92 1xfp n ARG 68 Cb 0.00 -1.65 -0.09 0.00 -1.02 0.00 0.00 32.46 29.70 1xfp n ARG 68 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1xfp n THR 69 N -1.91 0.02 -1.53 0.55 -2.24 -1.26 -4.99 114.28 102.93 1xfp n THR 69 Ca 0.06 -4.15 -0.52 0.00 -2.27 0.00 0.00 64.05 57.17 1xfp n THR 69 Cb 0.39 -1.91 -0.05 0.00 -2.10 0.00 0.00 70.33 66.66 1xfp n THR 69 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1xfp n PRO 70 N 1.93 0.66 -0.20 -0.78 -0.02 -1.26 -1.79 135.00 133.54 1xfp n PRO 70 Ca 0.25 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 1xfp n PRO 70 Cb 0.46 -1.66 0.00 0.00 -0.02 0.00 0.00 33.50 32.28 1xfp n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xfp n GLY 71 N 1.91 0.89 3.84 -1.23 0.00 -1.26 -5.06 105.19 104.29 1xfp n GLY 71 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1xfp n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xfp s SER 72 N -2.88 4.10 0.46 1.61 1.04 -0.74 -5.06 113.70 112.24 1xfp s SER 72 Ca 0.00 0.92 -0.04 0.00 0.48 0.00 0.00 55.95 57.32 1xfp s SER 72 Cb 0.00 -1.49 -0.03 0.00 0.10 0.00 0.00 66.02 64.61 1xfp s SER 72 CO 0.00 -2.17 0.74 -0.13 0.98 0.00 0.00 173.24 172.66 1xfp s ARG 73 N -5.40 3.43 -0.39 4.02 0.52 -0.68 -5.00 118.95 115.46 1xfp s ARG 73 Ca 0.62 0.01 0.09 0.00 -0.52 0.00 0.00 55.73 55.94 1xfp s ARG 73 Cb -0.13 -2.44 0.29 0.00 0.52 0.00 0.00 34.95 33.19 1xfp s ARG 73 CO 0.51 -0.18 0.62 -1.71 0.02 0.00 0.00 175.30 174.56 1xfp n ASN 74 N -2.18 0.20 0.28 0.23 4.05 -1.19 -3.73 115.26 112.92 1xfp n ASN 74 Ca -0.00 -2.85 0.14 0.00 0.45 0.00 0.00 54.58 52.31 1xfp n ASN 74 Cb 0.56 -0.46 0.83 0.00 1.23 0.00 0.00 39.78 41.94 1xfp n ASN 74 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 1xfp h LEU 75 N 3.63 0.00 -0.94 1.20 3.38 -1.13 -0.88 115.31 120.57 1xfp h LEU 75 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1xfp h LEU 75 Cb 0.92 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.67 1xfp h LEU 75 CO 0.46 0.05 -0.11 0.00 0.09 0.00 0.00 178.44 178.93 1xfp n ASN 77 N 0.06 -2.92 -3.77 0.00 3.02 -0.34 -4.98 115.26 106.34 1xfp n ASN 77 Ca 0.16 -0.94 -0.11 0.00 -0.03 0.00 0.00 54.58 53.66 1xfp n ASN 77 Cb 0.39 -3.58 -0.07 0.00 -0.61 0.00 0.00 39.78 35.91 1xfp n ASN 77 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1xfp s ILE 78 N -3.65 0.09 0.28 2.41 -4.36 -1.26 -5.07 121.20 109.65 1xfp s ILE 78 Ca 0.22 -0.78 -0.29 0.00 -0.26 0.00 0.00 60.65 59.55 1xfp s ILE 78 Cb -0.07 -1.03 -0.09 0.00 1.25 0.00 0.00 42.46 42.51 1xfp s ILE 78 CO 0.85 -0.43 1.02 -2.16 0.24 0.00 0.00 174.94 174.46 1xfp s PRO 79 N -2.93 4.66 0.55 0.37 0.04 -1.26 -1.13 135.00 135.30 1xfp s PRO 79 Ca -0.02 1.60 0.23 0.00 0.04 0.00 0.00 61.00 62.84 1xfp s PRO 79 Cb 0.00 -3.10 1.47 0.00 0.04 0.00 0.00 34.50 32.91 1xfp s PRO 79 CO -0.06 0.29 2.14 0.00 0.04 0.00 0.00 177.00 179.42 1xfp h SER 81 N 0.00 0.00 0.24 0.00 4.64 -1.91 0.12 113.55 116.65 1xfp h SER 81 Ca 0.06 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.37 1xfp h SER 81 Cb 0.25 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1xfp h SER 81 CO -0.00 0.00 -0.05 0.00 -0.87 0.00 0.00 176.83 175.91 1xfp h ALA 82 N 1.93 1.26 0.00 5.18 0.00 -1.64 -1.15 119.26 124.84 1xfp h ALA 82 Ca 0.05 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xfp h ALA 82 Cb 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1xfp h ALA 82 CO -0.00 0.06 0.00 1.28 0.00 0.00 0.00 179.25 180.59 1xfp n LEU 83 N -3.52 0.00 -0.41 0.00 4.77 0.03 -3.09 117.00 114.77 1xfp n LEU 83 Ca -0.02 0.06 0.07 0.00 -0.03 0.00 0.00 56.01 56.08 1xfp n LEU 83 Cb 0.16 -0.06 0.02 0.00 -2.33 0.00 0.00 43.42 41.22 1xfp n LEU 83 CO 0.27 -0.00 0.33 0.18 -1.33 0.00 0.00 177.39 176.83 1xfp n LEU 84 N -1.06 1.74 -4.73 2.23 4.77 -0.44 -3.55 117.00 115.97 1xfp n LEU 84 Ca 0.22 -0.84 -0.34 0.00 -0.03 0.00 0.00 56.01 55.01 1xfp n LEU 84 Cb 0.13 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.31 1xfp n LEU 84 CO 0.19 0.33 0.80 -0.55 -1.33 0.00 0.00 177.39 176.82 1xfp s SER 85 N -1.56 4.28 0.44 -1.43 0.15 -1.18 -4.12 113.70 110.28 1xfp s SER 85 Ca 0.14 2.35 0.30 0.00 0.70 0.00 0.00 55.95 59.43 1xfp s SER 85 Cb 0.12 -2.59 1.16 0.00 -1.71 0.00 0.00 66.02 63.00 1xfp s SER 85 CO 0.30 -2.20 1.87 0.77 1.20 0.00 0.00 173.24 175.17 1xfp h SER 86 N -0.22 0.00 -3.58 5.45 4.64 -1.94 -3.39 113.55 114.51 1xfp h SER 86 Ca -0.48 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.20 1xfp h SER 86 Cb 1.29 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.24 1xfp h SER 86 CO 0.50 0.00 0.10 -0.62 -0.87 0.00 0.00 176.83 175.94 1xfp s ASP 87 N -5.21 6.37 0.00 4.97 3.68 -1.26 -4.95 116.67 120.28 1xfp s ASP 87 Ca 0.03 -0.03 0.16 0.00 2.13 0.00 0.00 52.55 54.84 1xfp s ASP 87 Cb 0.09 -2.31 0.97 0.00 -1.45 0.00 0.00 42.92 40.22 1xfp s ASP 87 CO 0.50 -0.62 1.55 2.30 0.13 0.00 0.00 175.17 179.03 1xfp n ILE 88 N 5.63 0.00 -0.14 4.11 -5.35 -1.26 -4.29 119.36 118.05 1xfp n ILE 88 Ca -0.02 0.00 -0.05 0.00 -0.27 0.00 0.00 62.75 62.41 1xfp n ILE 88 Cb 0.48 -0.34 0.01 0.00 -1.74 0.00 0.00 39.64 38.05 1xfp n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1xfp h THR 89 N 0.00 0.30 -0.56 7.28 2.02 -1.93 -0.28 112.91 119.74 1xfp h THR 89 Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 1xfp h THR 89 Cb 0.00 0.30 -0.03 0.00 -1.74 0.00 0.00 68.15 66.68 1xfp h THR 89 CO 0.00 0.00 0.35 0.00 0.37 0.00 0.00 175.52 176.24 1xfp h ALA 90 N 1.06 0.72 -0.77 6.16 0.00 -1.82 0.26 119.26 124.86 1xfp h ALA 90 Ca 0.21 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 1xfp h ALA 90 Cb 0.49 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1xfp h ALA 90 CO -0.56 0.19 0.27 0.77 0.00 0.00 0.00 179.25 179.92 1xfp h SER 91 N 0.76 1.09 -0.15 0.00 0.02 -1.65 -1.49 113.55 112.14 1xfp h SER 91 Ca 0.20 -0.19 -0.03 0.00 -0.84 0.00 0.00 61.79 60.94 1xfp h SER 91 Cb -0.04 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.21 1xfp h SER 91 CO -0.04 0.99 -0.01 0.58 -1.14 0.00 0.00 176.83 177.21 1xfp h VAL 92 N 1.13 1.26 -0.69 2.27 2.07 -0.69 -0.46 116.25 121.15 1xfp h VAL 92 Ca 0.25 -0.87 -0.02 0.00 0.82 0.00 0.00 66.70 66.89 1xfp h VAL 92 Cb 0.26 1.54 -0.03 0.00 -1.52 0.00 0.00 31.29 31.54 1xfp h VAL 92 CO -0.01 0.26 0.35 0.78 0.02 0.00 0.00 177.57 178.97 1xfp h ASN 93 N 0.00 0.86 -0.24 0.57 2.35 -0.83 -0.81 115.58 117.49 1xfp h ASN 93 Ca 0.04 -0.08 -0.16 0.00 -0.55 0.00 0.00 56.30 55.55 1xfp h ASN 93 Cb 0.39 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.54 1xfp h ASN 93 CO 0.01 0.71 -0.48 0.00 -1.65 0.00 0.00 177.43 176.02 1xfp h ALA 95 N 0.63 1.46 -0.66 0.00 0.00 -0.63 -0.28 119.26 119.79 1xfp h ALA 95 Ca 0.01 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1xfp h ALA 95 Cb 1.08 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1xfp h ALA 95 CO 0.11 0.43 0.24 0.87 0.00 0.00 0.00 179.25 180.90 1xfp h LYS 96 N 1.09 0.99 -0.37 0.00 1.57 -1.04 -0.38 116.57 118.43 1xfp h LYS 96 Ca 0.37 -0.17 -0.13 0.00 -1.87 0.00 0.00 60.65 58.85 1xfp h LYS 96 Cb 0.10 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 1xfp h LYS 96 CO -0.13 0.82 -0.27 -0.22 -0.57 0.00 0.00 179.45 179.08 1xfp h LYS 97 N 0.96 0.83 -0.04 3.15 3.64 -0.95 -2.65 116.57 121.51 1xfp h LYS 97 Ca 0.22 -0.40 -0.00 0.00 -1.27 0.00 0.00 60.65 59.20 1xfp h LYS 97 Cb 0.22 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.03 1xfp h LYS 97 CO -0.02 1.04 0.01 0.82 -2.27 0.00 0.00 179.45 179.04 1xfp h ILE 98 N 0.62 1.15 0.00 2.00 2.04 -0.75 -3.12 117.51 119.45 1xfp h ILE 98 Ca 0.07 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.50 1xfp h ILE 98 Cb 0.84 1.37 0.00 0.00 -0.74 0.00 0.00 36.82 38.29 1xfp h ILE 98 CO 0.07 0.12 0.00 1.62 0.00 0.00 0.00 178.15 179.96 1xfp h VAL 99 N -0.11 0.00 -0.70 1.67 3.04 -1.12 -3.13 116.25 115.90 1xfp h VAL 99 Ca 0.01 -0.39 0.00 0.00 -1.01 0.00 0.00 66.70 65.32 1xfp h VAL 99 Cb 0.18 1.26 0.00 0.00 -2.01 0.00 0.00 31.29 30.72 1xfp h VAL 99 CO -0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.57 175.02 1xfp n SER 100 N -2.67 4.23 -0.26 3.17 3.41 -1.00 -3.50 113.62 117.00 1xfp n SER 100 Ca 0.01 -2.17 0.13 0.00 -0.26 0.00 0.00 58.87 56.58 1xfp n SER 100 Cb 0.28 -0.52 0.35 0.00 -0.26 0.00 0.00 64.21 64.05 1xfp n SER 100 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1xfp n ASP 101 N 1.44 1.09 0.00 4.04 5.68 -1.18 -4.94 116.55 122.67 1xfp n ASP 101 Ca 0.25 -0.93 0.00 0.00 -0.50 0.00 0.00 54.79 53.61 1xfp n ASP 101 Cb 0.72 0.16 0.00 0.00 -1.14 0.00 0.00 41.12 40.86 1xfp n ASP 101 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1xfp n GLY 102 N 1.35 1.04 0.26 6.12 0.00 -1.26 -4.98 105.19 107.72 1xfp n GLY 102 Ca 0.12 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.18 1xfp n GLY 102 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1xfp n ASN 103 N 0.00 1.46 0.00 1.61 5.15 -1.26 -5.10 115.26 117.12 1xfp n ASN 103 Ca 0.00 -1.23 0.00 0.00 -0.60 0.00 0.00 54.58 52.75 1xfp n ASN 103 Cb 0.00 0.13 0.00 0.00 -0.53 0.00 0.00 39.78 39.38 1xfp n ASN 103 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1xfp n GLY 104 N 0.52 1.00 0.00 8.20 0.00 -1.23 -2.56 105.19 111.12 1xfp n GLY 104 Ca 0.04 -0.65 0.14 0.00 0.00 0.00 0.00 46.02 45.55 1xfp n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1xfp n MET 105 N 0.00 0.83 0.15 1.61 2.81 -1.26 -3.09 117.12 118.17 1xfp n MET 105 Ca 0.00 0.00 0.11 0.00 -1.81 0.00 0.00 57.70 56.00 1xfp n MET 105 Cb 0.00 -1.50 0.54 0.00 -0.71 0.00 0.00 33.22 31.55 1xfp n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1xfp n ASN 106 N -1.02 0.60 0.30 7.83 3.02 -1.06 -0.78 115.26 124.15 1xfp n ASN 106 Ca 0.20 0.72 0.17 0.00 -0.03 0.00 0.00 54.58 55.64 1xfp n ASN 106 Cb 0.10 -0.82 0.95 0.00 -0.61 0.00 0.00 39.78 39.41 1xfp n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xfp h ALA 107 N 2.12 1.34 -2.45 5.41 0.00 -1.70 -3.32 119.26 120.66 1xfp h ALA 107 Ca 0.00 -0.02 -0.74 0.00 0.00 0.00 0.00 54.91 54.15 1xfp h ALA 107 Cb 0.16 -0.00 -0.27 0.00 0.00 0.00 0.00 17.79 17.68 1xfp h ALA 107 CO 0.00 0.03 -0.34 -1.58 0.00 0.00 0.00 179.25 177.35 1xfp s TRP 108 N -4.41 3.34 0.30 0.00 0.51 0.04 -4.95 118.94 113.77 1xfp s TRP 108 Ca -0.04 -1.54 0.01 0.00 -2.12 0.00 0.00 56.10 52.40 1xfp s TRP 108 Cb 0.14 -3.48 0.53 0.00 -0.81 0.00 0.00 33.47 29.85 1xfp s TRP 108 CO 0.52 -0.96 1.92 0.28 -0.51 0.00 0.00 176.95 178.20 1xfp h VAL 109 N 6.01 1.08 -0.66 4.03 2.07 -1.82 -1.03 116.25 125.93 1xfp h VAL 109 Ca -0.25 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 66.92 1xfp h VAL 109 Cb 1.09 -0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 1xfp h VAL 109 CO 0.90 0.19 0.42 0.00 0.02 0.00 0.00 177.57 179.11 1xfp h ALA 110 N 1.51 1.51 -0.28 1.67 0.00 -1.93 -0.06 119.26 121.68 1xfp h ALA 110 Ca 0.38 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.15 1xfp h ALA 110 Cb 0.17 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1xfp h ALA 110 CO -0.14 0.44 -0.15 2.35 0.00 0.00 0.00 179.25 181.76 1xfp h TRP 111 N 0.89 0.69 -0.88 0.00 7.01 -1.52 0.52 115.95 122.66 1xfp h TRP 111 Ca 0.24 -0.17 0.01 0.00 2.11 0.00 0.00 58.89 61.07 1xfp h TRP 111 Cb -0.09 -0.16 -0.04 0.00 -2.10 0.00 0.00 29.16 26.77 1xfp h TRP 111 CO 0.00 0.84 0.57 -0.09 -2.79 0.00 0.00 178.44 176.98 1xfp h ARG 112 N 0.34 1.16 0.06 2.65 2.43 -0.55 0.20 114.38 120.67 1xfp h ARG 112 Ca 0.06 -0.08 -0.26 0.00 -0.81 0.00 0.00 59.98 58.90 1xfp h ARG 112 Cb 0.67 -0.26 -0.02 0.00 -0.42 0.00 0.00 29.97 29.94 1xfp h ARG 112 CO 0.04 0.78 -1.28 -0.91 -1.51 0.00 0.00 179.97 177.10 1xfp h ASN 113 N 1.19 0.19 0.00 -3.80 2.35 -0.97 -3.36 115.58 111.19 1xfp h ASN 113 Ca 0.32 -0.24 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 1xfp h ASN 113 Cb -0.12 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.19 1xfp h ASN 113 CO -0.07 1.19 -0.77 0.54 -1.65 0.00 0.00 177.43 176.67 1xfp n ARG 114 N -3.38 2.72 0.00 0.81 5.12 0.17 -4.85 116.66 117.24 1xfp n ARG 114 Ca -0.08 -0.03 0.00 0.00 -1.93 0.00 0.00 57.85 55.81 1xfp n ARG 114 Cb 1.00 -1.04 0.00 0.00 -1.16 0.00 0.00 32.46 31.26 1xfp n ARG 114 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1xfp n LYS 116 N -2.53 1.74 -0.51 0.00 4.81 0.17 -1.54 118.16 120.29 1xfp n LYS 116 Ca 0.00 0.63 0.00 0.00 -0.87 0.00 0.00 58.31 58.07 1xfp n LYS 116 Cb 0.46 -2.36 0.00 0.00 0.02 0.00 0.00 35.03 33.15 1xfp n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1xfp n GLY 117 N 3.37 1.49 4.00 3.14 0.00 -1.26 -4.95 105.19 110.98 1xfp n GLY 117 Ca 0.19 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.99 1xfp n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xfp s THR 118 N -3.32 2.28 -1.40 2.61 -4.23 -0.59 -4.97 115.64 106.03 1xfp s THR 118 Ca 0.00 -0.72 -0.15 0.00 -1.18 0.00 0.00 61.69 59.65 1xfp s THR 118 Cb 0.00 -2.56 0.06 0.00 1.34 0.00 0.00 72.50 71.34 1xfp s THR 118 CO 0.00 0.00 2.06 -0.67 -0.54 0.00 0.00 174.62 175.47 1xfp n ASP 119 N -2.56 4.26 0.23 3.99 2.03 -1.26 -4.74 116.55 118.49 1xfp n ASP 119 Ca 0.13 -2.88 0.15 0.00 0.52 0.00 0.00 54.79 52.71 1xfp n ASP 119 Cb 0.61 -1.67 0.82 0.00 -0.72 0.00 0.00 41.12 40.16 1xfp n ASP 119 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1xfp h VAL 120 N 4.38 0.59 -0.02 5.18 -1.51 -1.91 -0.95 116.25 122.00 1xfp h VAL 120 Ca 0.52 0.00 0.01 0.00 -1.23 0.00 0.00 66.70 66.00 1xfp h VAL 120 Cb 0.70 0.91 -0.00 0.00 -2.13 0.00 0.00 31.29 30.77 1xfp h VAL 120 CO 1.75 0.00 0.03 1.56 -1.23 0.00 0.00 177.57 179.68 1xfp h GLN 121 N 0.00 0.00 -0.01 5.19 7.50 -1.90 -1.17 115.11 124.72 1xfp h GLN 121 Ca 0.06 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.21 1xfp h GLN 121 Cb 0.30 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 27.83 1xfp h GLN 121 CO -0.00 0.00 0.01 0.00 -1.50 0.00 0.00 178.83 177.34 1xfp h ALA 122 N 1.95 1.71 0.00 3.87 0.00 -1.57 -2.06 119.26 123.17 1xfp h ALA 122 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1xfp h ALA 122 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1xfp h ALA 122 CO -0.00 -0.01 0.00 -1.49 0.00 0.00 0.00 179.25 177.75 1xfp h TRP 123 N 0.00 0.00 -0.15 0.00 4.06 -1.41 -2.78 115.95 115.68 1xfp h TRP 123 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1xfp h TRP 123 Cb 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.18 1xfp h TRP 123 CO 0.00 0.00 0.00 0.44 -3.56 0.00 0.00 178.44 175.32 1xfp n ILE 124 N -2.48 0.73 -2.24 1.49 -5.35 -0.79 -4.79 119.36 105.94 1xfp n ILE 124 Ca 0.02 -0.87 -0.41 0.00 -0.27 0.00 0.00 62.75 61.22 1xfp n ILE 124 Cb 0.26 0.67 -0.03 0.00 -1.74 0.00 0.00 39.64 38.80 1xfp n ILE 124 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1xfp s ARG 125 N -0.87 4.40 0.00 6.28 3.52 -1.05 -2.45 118.95 128.78 1xfp s ARG 125 Ca 0.12 2.03 0.00 0.00 -0.13 0.00 0.00 55.73 57.75 1xfp s ARG 125 Cb 0.06 -3.20 0.00 0.00 -1.56 0.00 0.00 34.95 30.26 1xfp s ARG 125 CO 0.09 -0.22 0.00 0.41 -0.81 0.00 0.00 175.30 174.76 1xfp n GLY 126 N 2.28 0.82 3.89 8.12 0.00 -1.26 -5.02 105.19 114.02 1xfp n GLY 126 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 1xfp n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xfp s ARG 128 N -2.86 3.59 0.00 0.00 1.70 -1.26 -5.12 118.95 115.00 1xfp s ARG 128 Ca 0.43 -2.05 0.13 0.00 -0.47 0.00 0.00 55.73 53.77 1xfp s ARG 128 Cb -0.12 -4.69 0.10 0.00 -0.57 0.00 0.00 34.95 29.67 1xfp s ARG 128 CO 0.25 -1.56 0.91 1.28 -1.08 0.00 0.00 175.30 175.10