#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xei s VAL 2 N 0.00 1.19 0.28 0.58 1.01 -1.26 -0.85 120.40 121.35 1xei s VAL 2 Ca 0.00 -0.53 0.06 0.00 0.00 0.00 0.00 61.98 61.51 1xei s VAL 2 Cb 0.00 -1.07 -0.02 0.00 0.00 0.00 0.00 36.38 35.29 1xei s VAL 2 CO 0.00 0.36 0.39 -0.36 0.00 0.00 0.00 175.10 175.49 1xei s PHE 3 N 0.50 3.27 0.59 5.22 0.40 -0.97 -5.04 117.98 121.95 1xei s PHE 3 Ca -0.12 -0.12 0.02 0.00 -0.60 0.00 0.00 56.93 56.11 1xei s PHE 3 Cb -0.14 -1.74 0.06 0.00 0.51 0.00 0.00 43.02 41.71 1xei s PHE 3 CO 0.03 0.26 0.82 0.20 0.70 0.00 0.00 175.22 177.23 1xei s GLY 4 N -4.05 1.81 0.01 4.36 0.00 -1.26 -4.88 107.32 103.32 1xei s GLY 4 Ca 0.39 -1.49 -0.06 0.00 0.00 0.00 0.00 44.72 43.57 1xei s GLY 4 CO 0.29 -1.13 1.08 -0.09 0.00 0.00 0.00 173.10 173.26 1xei h ARG 5 N -0.05 -0.16 -0.84 2.90 2.43 -1.99 -2.10 114.38 114.56 1xei h ARG 5 Ca -0.40 0.01 0.21 0.00 -0.81 0.00 0.00 59.98 58.99 1xei h ARG 5 Cb 1.29 0.04 -0.13 0.00 -0.42 0.00 0.00 29.97 30.74 1xei h ARG 5 CO 0.48 -0.11 0.22 0.00 -1.51 0.00 0.00 179.97 179.06 1xei h GLU 7 N 0.24 0.64 -0.26 0.00 4.81 -1.95 0.39 114.58 118.45 1xei h GLU 7 Ca 0.51 -0.04 -0.14 0.00 -0.13 0.00 0.00 59.36 59.56 1xei h GLU 7 Cb 0.98 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.21 1xei h GLU 7 CO -0.61 0.43 -0.42 1.25 -0.73 0.00 0.00 179.01 178.93 1xei h LEU 8 N 0.66 0.68 -0.29 1.64 5.85 0.10 -0.29 115.31 123.67 1xei h LEU 8 Ca 0.19 -0.31 -0.03 0.00 0.84 0.00 0.00 57.88 58.57 1xei h LEU 8 Cb -0.06 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.77 1xei h LEU 8 CO -0.05 1.01 0.08 0.00 -0.34 0.00 0.00 178.44 179.14 1xei h ALA 9 N 1.02 0.38 -0.43 1.25 0.00 0.66 -0.10 119.26 122.04 1xei h ALA 9 Ca 0.04 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 1xei h ALA 9 Cb 0.94 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1xei h ALA 9 CO 0.08 0.02 -0.21 0.00 0.00 0.00 0.00 179.25 179.15 1xei h ALA 10 N 0.91 0.82 -0.24 0.00 0.00 -0.16 0.12 119.26 120.71 1xei h ALA 10 Ca 0.09 -0.38 -0.08 0.00 0.00 0.00 0.00 54.91 54.55 1xei h ALA 10 Cb 0.27 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1xei h ALA 10 CO -0.00 0.65 -0.19 0.00 0.00 0.00 0.00 179.25 179.70 1xei h ALA 11 N 1.01 1.23 -0.03 0.00 0.00 -0.97 -1.34 119.26 119.16 1xei h ALA 11 Ca 0.10 -0.30 -0.16 0.00 0.00 0.00 0.00 54.91 54.56 1xei h ALA 11 Cb 0.75 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1xei h ALA 11 CO 0.06 0.50 -0.70 1.98 0.00 0.00 0.00 179.25 181.09 1xei h MET 12 N 0.38 0.15 0.01 0.00 4.05 -0.42 -2.95 114.93 116.14 1xei h MET 12 Ca 0.06 -0.12 -0.00 0.00 -0.28 0.00 0.00 59.70 59.36 1xei h MET 12 Cb 0.56 0.03 0.00 0.00 -0.80 0.00 0.00 31.60 31.39 1xei h MET 12 CO 0.04 0.79 -0.00 -0.22 0.23 0.00 0.00 176.91 177.74 1xei h LYS 13 N 0.10 -0.01 -0.96 0.39 3.64 -0.18 -2.36 116.57 117.18 1xei h LYS 13 Ca -0.02 0.00 0.20 0.00 -1.27 0.00 0.00 60.65 59.57 1xei h LYS 13 Cb 1.25 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 32.98 1xei h LYS 13 CO 0.10 0.81 0.62 0.07 -2.27 0.00 0.00 179.45 178.78 1xei h ARG 14 N -0.84 0.54 0.00 1.90 0.11 -1.36 0.44 114.38 115.17 1xei h ARG 14 Ca -0.00 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 60.05 1xei h ARG 14 Cb 0.82 -0.12 0.00 0.00 1.11 0.00 0.00 29.97 31.78 1xei h ARG 14 CO 0.00 0.36 0.00 0.72 0.10 0.00 0.00 179.97 181.15 1xei n HIS 15 N -4.62 0.00 -2.56 4.08 8.25 -1.11 -4.94 115.22 114.32 1xei n HIS 15 Ca 0.22 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.60 1xei n HIS 15 Cb 0.67 -0.41 0.04 0.00 1.12 0.00 0.00 29.99 31.41 1xei n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1xei n GLY 16 N 0.70 0.08 0.63 -1.41 0.00 0.16 -4.99 105.19 100.35 1xei n GLY 16 Ca 0.08 -0.17 0.09 0.00 0.00 0.00 0.00 46.02 46.02 1xei n GLY 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xei n LEU 17 N -2.34 2.27 -4.70 0.99 4.77 -0.90 -4.75 117.00 112.34 1xei n LEU 17 Ca -0.11 -0.90 -0.42 0.00 -0.03 0.00 0.00 56.01 54.54 1xei n LEU 17 Cb 0.57 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.63 1xei n LEU 17 CO 0.26 0.40 0.99 -0.62 -1.33 0.00 0.00 177.39 177.10 1xei s ASP 18 N -1.80 6.98 -1.74 -1.43 2.15 -1.26 -2.91 116.67 116.66 1xei s ASP 18 Ca 0.19 2.00 0.00 0.00 0.43 0.00 0.00 52.55 55.17 1xei s ASP 18 Cb 0.15 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 40.21 1xei s ASP 18 CO 0.33 -0.60 0.00 0.59 -0.17 0.00 0.00 175.17 175.32 1xei n ASN 19 N 4.81 -4.98 -4.68 -0.34 3.02 0.16 -4.85 115.26 108.40 1xei n ASN 19 Ca 0.11 0.27 -0.42 0.00 -0.03 0.00 0.00 54.58 54.51 1xei n ASN 19 Cb 0.45 -4.32 -0.03 0.00 -0.61 0.00 0.00 39.78 35.27 1xei n ASN 19 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1xei s TYR 20 N -2.70 1.96 -1.23 3.10 5.04 -0.59 -1.89 117.35 121.05 1xei s TYR 20 Ca 0.00 -0.04 0.00 0.00 -2.44 0.00 0.00 57.07 54.59 1xei s TYR 20 Cb 0.00 -4.12 0.00 0.00 0.35 0.00 0.00 41.96 38.19 1xei s TYR 20 CO 0.00 -4.71 0.00 0.54 -1.34 0.00 0.00 175.55 170.04 1xei n ARG 21 N 6.31 -1.84 -0.30 4.97 3.00 -1.26 0.11 116.66 127.66 1xei n ARG 21 Ca 0.18 0.69 0.00 0.00 -0.01 0.00 0.00 57.85 58.71 1xei n ARG 21 Cb 0.40 -5.16 0.00 0.00 0.00 0.00 0.00 32.46 27.70 1xei n ARG 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1xei n GLY 22 N -0.60 0.82 3.28 -0.13 0.00 -0.79 -5.05 105.19 102.72 1xei n GLY 22 Ca -0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.49 1xei n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xei s TYR 23 N -2.09 3.27 0.72 1.61 2.02 0.12 -4.95 117.35 118.05 1xei s TYR 23 Ca 0.00 -1.41 -0.15 0.00 -0.37 0.00 0.00 57.07 55.14 1xei s TYR 23 Cb 0.00 -2.37 0.04 0.00 -0.40 0.00 0.00 41.96 39.22 1xei s TYR 23 CO 0.00 -0.74 1.20 -1.12 -1.57 0.00 0.00 175.55 173.32 1xei s SER 24 N 1.49 4.28 0.28 2.29 0.01 -1.26 0.37 113.70 121.17 1xei s SER 24 Ca -0.01 2.32 0.01 0.00 1.31 0.00 0.00 55.95 59.59 1xei s SER 24 Cb -0.20 -2.59 0.57 0.00 0.21 0.00 0.00 66.02 64.01 1xei s SER 24 CO 0.03 -2.20 1.82 0.25 0.41 0.00 0.00 173.24 173.55 1xei h LEU 25 N -0.26 0.86 -0.96 2.44 5.85 -1.89 -1.71 115.31 119.64 1xei h LEU 25 Ca -0.48 0.06 0.26 0.00 0.84 0.00 0.00 57.88 58.56 1xei h LEU 25 Cb 1.29 -0.11 -0.13 0.00 0.37 0.00 0.00 40.66 42.08 1xei h LEU 25 CO 0.50 0.43 0.49 1.23 -0.34 0.00 0.00 178.44 180.75 1xei h GLY 26 N 0.92 1.78 1.02 3.75 0.00 -1.91 0.72 103.07 109.36 1xei h GLY 26 Ca 0.50 -0.22 -0.06 0.00 0.00 0.00 0.00 47.33 47.55 1xei h GLY 26 CO -0.29 -0.33 0.15 3.43 0.00 0.00 0.00 176.54 179.50 1xei h ASN 27 N 0.42 0.93 -0.41 0.19 2.35 -1.48 -2.26 115.58 115.31 1xei h ASN 27 Ca 0.63 -0.23 -0.01 0.00 -0.55 0.00 0.00 56.30 56.14 1xei h ASN 27 Cb 1.28 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 39.39 1xei h ASN 27 CO -0.55 0.92 0.22 -0.50 -1.65 0.00 0.00 177.43 175.87 1xei h TRP 28 N 0.90 0.57 -0.40 1.19 4.06 -0.94 -2.39 115.95 118.93 1xei h TRP 28 Ca 0.19 -0.02 -0.02 0.00 2.06 0.00 0.00 58.89 61.11 1xei h TRP 28 Cb 0.35 -0.18 -0.02 0.00 -1.00 0.00 0.00 29.16 28.31 1xei h TRP 28 CO 0.03 0.44 0.18 0.28 -3.56 0.00 0.00 178.44 175.80 1xei h VAL 29 N 0.53 1.19 -0.54 1.49 2.07 -1.46 -2.80 116.25 116.73 1xei h VAL 29 Ca 0.14 -0.56 -0.07 0.00 0.82 0.00 0.00 66.70 67.04 1xei h VAL 29 Cb 0.07 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 1xei h VAL 29 CO -0.02 0.21 0.08 0.00 0.02 0.00 0.00 177.57 177.85 1xei h ALA 31 N 0.98 1.35 -0.05 0.00 0.00 -1.43 -2.20 119.26 117.92 1xei h ALA 31 Ca 0.16 -0.27 -0.16 0.00 0.00 0.00 0.00 54.91 54.64 1xei h ALA 31 Cb 0.42 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1xei h ALA 31 CO 0.01 0.44 -0.70 0.00 0.00 0.00 0.00 179.25 179.01 1xei h ALA 32 N 1.54 0.73 -0.08 0.00 0.00 -1.28 -0.20 119.26 119.96 1xei h ALA 32 Ca 0.05 -0.60 -0.22 0.00 0.00 0.00 0.00 54.91 54.13 1xei h ALA 32 Cb 0.51 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.24 1xei h ALA 32 CO 0.03 0.79 -0.81 -0.22 0.00 0.00 0.00 179.25 179.04 1xei h LYS 33 N 0.16 0.70 -0.02 0.00 1.63 -0.72 -2.22 116.57 116.09 1xei h LYS 33 Ca -0.02 -0.64 0.00 0.00 -0.85 0.00 0.00 60.65 59.14 1xei h LYS 33 Cb 1.24 0.15 0.00 0.00 -0.60 0.00 0.00 32.23 33.03 1xei h LYS 33 CO 0.11 1.24 -0.16 1.19 -3.45 0.00 0.00 179.45 178.37 1xei n PHE 34 N -3.98 0.00 -0.01 1.91 3.72 -0.96 -0.91 117.46 117.23 1xei n PHE 34 Ca -0.09 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.09 1xei n PHE 34 Cb 0.76 -0.01 -0.13 0.00 -0.94 0.00 0.00 39.48 39.16 1xei n PHE 34 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1xei h GLU 35 N 3.37 0.22 0.00 -1.08 4.39 -1.11 -3.44 114.58 116.92 1xei h GLU 35 Ca 0.00 -0.37 0.00 0.00 0.34 0.00 0.00 59.36 59.33 1xei h GLU 35 Cb 0.81 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.60 1xei h GLU 35 CO 0.00 1.18 0.00 -1.13 -1.16 0.00 0.00 179.01 177.90 1xei n SER 36 N -3.84 0.00 -4.14 1.42 3.41 -1.16 -4.81 113.62 104.50 1xei n SER 36 Ca -0.29 -1.00 -0.33 0.00 -0.26 0.00 0.00 58.87 57.00 1xei n SER 36 Cb 0.92 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.85 1xei n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1xei n ASN 37 N 0.00 -2.31 -2.77 4.04 2.85 -0.09 -1.79 115.26 115.19 1xei n ASN 37 Ca 0.00 -1.01 -0.22 0.00 -0.11 0.00 0.00 54.58 53.24 1xei n ASN 37 Cb 0.47 -2.84 0.02 0.00 1.24 0.00 0.00 39.78 38.67 1xei n ASN 37 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 1xei n PHE 38 N -4.41 -1.58 -3.93 1.20 3.72 -0.87 -4.86 117.46 106.73 1xei n PHE 38 Ca -0.06 0.30 -0.35 0.00 -0.05 0.00 0.00 57.45 57.30 1xei n PHE 38 Cb 0.56 -4.21 -0.13 0.00 -0.94 0.00 0.00 39.48 34.76 1xei n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1xei s ASN 39 N -2.43 4.70 0.00 4.37 3.04 -0.74 -2.29 114.94 121.60 1xei s ASN 39 Ca 0.18 -0.28 0.22 0.00 0.04 0.00 0.00 52.86 53.03 1xei s ASN 39 Cb -0.08 -1.82 1.07 0.00 -1.54 0.00 0.00 41.25 38.88 1xei s ASN 39 CO 0.22 0.01 1.72 0.35 -3.04 0.00 0.00 177.10 176.36 1xei n THR 40 N 4.63 0.36 0.20 -5.21 -2.24 -0.03 -2.87 114.28 109.12 1xei n THR 40 Ca -0.17 0.09 0.07 0.00 -2.27 0.00 0.00 64.05 61.77 1xei n THR 40 Cb 0.51 -0.72 0.13 0.00 -2.10 0.00 0.00 70.33 68.15 1xei n THR 40 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xei n GLN 41 N -1.35 1.91 -1.84 -0.78 6.02 -1.26 -4.17 117.38 115.91 1xei n GLN 41 Ca 0.09 -1.79 -0.41 0.00 -0.01 0.00 0.00 57.00 54.88 1xei n GLN 41 Cb 0.20 -1.32 -0.01 0.00 1.02 0.00 0.00 30.24 30.14 1xei n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1xei s ALA 42 N -1.11 3.61 -0.23 -1.58 0.00 -1.14 -4.85 121.76 116.47 1xei s ALA 42 Ca 0.24 1.53 -0.08 0.00 0.00 0.00 0.00 51.96 53.65 1xei s ALA 42 Cb 0.14 -3.60 0.10 0.00 0.00 0.00 0.00 23.12 19.76 1xei s ALA 42 CO 0.19 -0.98 0.50 0.95 0.00 0.00 0.00 175.76 176.42 1xei s THR 43 N -0.77 -0.77 -0.18 0.00 -4.23 -1.26 -1.84 115.64 106.59 1xei s THR 43 Ca 0.55 0.11 -0.06 0.00 -1.18 0.00 0.00 61.69 61.12 1xei s THR 43 Cb -0.46 -0.78 -0.03 0.00 1.34 0.00 0.00 72.50 72.57 1xei s THR 43 CO 0.57 0.05 0.01 0.21 -0.54 0.00 0.00 174.62 174.92 1xei s ASN 44 N 2.71 5.15 -0.21 3.99 3.84 -0.93 -4.95 114.94 124.55 1xei s ASN 44 Ca -0.03 -0.06 -0.07 0.00 0.21 0.00 0.00 52.86 52.91 1xei s ASN 44 Cb -0.12 -1.87 -0.04 0.00 -0.55 0.00 0.00 41.25 38.68 1xei s ASN 44 CO -0.15 0.15 0.06 -0.13 -2.79 0.00 0.00 177.10 174.24 1xei s ARG 45 N 0.50 3.83 0.21 0.43 3.00 -1.26 -0.10 118.95 125.56 1xei s ARG 45 Ca -0.00 -0.41 -0.02 0.00 0.00 0.00 0.00 55.73 55.31 1xei s ARG 45 Cb -0.14 -3.25 -0.04 0.00 0.00 0.00 0.00 34.95 31.52 1xei s ARG 45 CO 0.02 0.08 0.41 -0.80 0.00 0.00 0.00 175.30 175.01 1xei s ASN 46 N 0.89 6.40 0.43 0.23 0.02 0.72 -4.97 114.94 118.67 1xei s ASN 46 Ca 0.04 0.46 0.28 0.00 -1.02 0.00 0.00 52.86 52.61 1xei s ASN 46 Cb -0.14 -2.03 1.37 0.00 0.02 0.00 0.00 41.25 40.46 1xei s ASN 46 CO 0.03 -0.06 1.65 0.74 0.02 0.00 0.00 177.10 179.47 1xei h THR 47 N 1.54 0.19 -0.04 1.60 2.02 -1.99 0.83 112.91 117.06 1xei h THR 47 Ca -0.48 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 66.66 1xei h THR 47 Cb 1.19 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 1xei h THR 47 CO 0.68 0.02 0.00 -0.90 0.37 0.00 0.00 175.52 175.69 1xei n ASP 48 N -4.70 0.32 0.00 4.18 5.75 -1.26 -4.82 116.55 116.02 1xei n ASP 48 Ca 0.35 -1.57 0.00 0.00 -0.01 0.00 0.00 54.79 53.56 1xei n ASP 48 Cb 1.33 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 41.40 1xei n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xei n GLY 49 N 0.81 0.59 3.74 6.12 0.00 0.28 -4.70 105.19 112.04 1xei n GLY 49 Ca 0.12 -0.45 -0.32 0.00 0.00 0.00 0.00 46.02 45.37 1xei n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xei s SER 50 N -2.41 5.45 0.10 1.61 1.04 -1.17 -4.54 113.70 113.78 1xei s SER 50 Ca 0.00 0.06 0.10 0.00 0.48 0.00 0.00 55.95 56.59 1xei s SER 50 Cb 0.00 -1.50 -0.04 0.00 0.10 0.00 0.00 66.02 64.59 1xei s SER 50 CO 0.00 0.26 -0.25 -0.89 0.98 0.00 0.00 173.24 173.34 1xei s THR 51 N -1.19 2.08 -0.25 2.02 2.01 -1.26 0.26 115.64 119.32 1xei s THR 51 Ca 0.23 -1.59 -0.10 0.00 0.31 0.00 0.00 61.69 60.54 1xei s THR 51 Cb -0.12 -1.83 -0.05 0.00 0.01 0.00 0.00 72.50 70.51 1xei s THR 51 CO 0.14 0.14 0.16 -1.81 -0.69 0.00 0.00 174.62 172.55 1xei s ASP 52 N -1.77 6.00 0.18 3.53 1.01 0.86 -1.29 116.67 125.19 1xei s ASP 52 Ca 0.12 0.06 0.11 0.00 0.71 0.00 0.00 52.55 53.55 1xei s ASP 52 Cb -0.10 -2.09 -0.04 0.00 1.01 0.00 0.00 42.92 41.70 1xei s ASP 52 CO 0.04 0.04 -0.25 -0.31 0.21 0.00 0.00 175.17 174.91 1xei s TYR 53 N 1.22 2.29 0.00 4.23 2.02 0.39 -2.18 117.35 125.32 1xei s TYR 53 Ca 0.07 -0.37 0.00 0.00 -0.37 0.00 0.00 57.07 56.40 1xei s TYR 53 Cb -0.14 -1.16 0.00 0.00 -0.40 0.00 0.00 41.96 40.26 1xei s TYR 53 CO 0.06 0.46 0.00 0.41 -1.57 0.00 0.00 175.55 174.90 1xei n GLY 54 N 0.43 -1.29 0.34 0.71 0.00 -0.77 -0.46 105.19 104.15 1xei n GLY 54 Ca -0.14 -1.17 0.14 0.00 0.00 0.00 0.00 46.02 44.85 1xei n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1xei h ILE 55 N 0.00 0.63 -0.55 -0.61 2.10 -1.76 -0.62 117.51 116.70 1xei h ILE 55 Ca 0.00 -0.23 0.00 0.00 1.08 0.00 0.00 64.86 65.71 1xei h ILE 55 Cb 0.00 -0.09 0.00 0.00 -1.09 0.00 0.00 36.82 35.64 1xei h ILE 55 CO 0.00 0.12 0.00 0.18 -1.08 0.00 0.00 178.15 177.37 1xei n LEU 56 N -4.84 3.63 -3.73 2.19 4.77 -1.26 -3.85 117.00 113.90 1xei n LEU 56 Ca 0.24 -2.09 -0.34 0.00 -0.03 0.00 0.00 56.01 53.79 1xei n LEU 56 Cb 0.63 -0.40 0.04 0.00 -2.33 0.00 0.00 43.42 41.36 1xei n LEU 56 CO 0.19 0.86 -0.08 0.00 -1.33 0.00 0.00 177.39 177.02 1xei n GLN 57 N 1.06 -1.07 -2.61 3.23 1.13 -0.24 -4.91 117.38 113.96 1xei n GLN 57 Ca 0.19 0.40 -0.43 0.00 -1.94 0.00 0.00 57.00 55.23 1xei n GLN 57 Cb 0.58 -3.89 -0.02 0.00 0.11 0.00 0.00 30.24 27.02 1xei n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1xei s ILE 58 N -3.47 4.61 -0.00 5.09 1.01 0.39 -4.39 121.20 124.44 1xei s ILE 58 Ca 0.48 1.93 -0.30 0.00 0.00 0.00 0.00 60.65 62.76 1xei s ILE 58 Cb -0.19 -4.24 -0.05 0.00 0.01 0.00 0.00 42.46 37.99 1xei s ILE 58 CO 0.88 -0.12 1.37 0.21 0.00 0.00 0.00 174.94 177.27 1xei s ASN 59 N 1.32 6.88 0.00 3.58 3.84 -1.26 -0.46 114.94 128.84 1xei s ASN 59 Ca 0.47 2.08 0.21 0.00 0.21 0.00 0.00 52.86 55.83 1xei s ASN 59 Cb -0.17 -2.56 1.11 0.00 -0.55 0.00 0.00 41.25 39.08 1xei s ASN 59 CO 0.11 -0.69 1.66 -1.54 -2.79 0.00 0.00 177.10 173.85 1xei n SER 60 N 5.25 0.00 0.15 -4.21 3.41 -0.41 -2.63 113.62 115.18 1xei n SER 60 Ca 0.13 -0.21 0.03 0.00 -0.26 0.00 0.00 58.87 58.56 1xei n SER 60 Cb 0.44 -0.20 0.13 0.00 -0.26 0.00 0.00 64.21 64.32 1xei n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1xei h ARG 61 N 0.00 0.00 0.00 4.33 9.65 -1.83 -3.39 114.38 123.15 1xei h ARG 61 Ca 0.00 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.84 1xei h ARG 61 Cb 0.14 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.71 1xei h ARG 61 CO 0.00 0.50 -0.73 0.91 2.80 0.00 0.00 179.97 183.45 1xei n TRP 62 N -3.35 0.00 -0.05 2.20 7.02 -1.19 -2.16 117.44 119.92 1xei n TRP 62 Ca 0.01 0.00 -0.11 0.00 -1.02 0.00 0.00 57.50 56.38 1xei n TRP 62 Cb 0.67 -0.29 -0.15 0.00 -2.42 0.00 0.00 31.31 29.13 1xei n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1xei n TRP 63 N -3.89 0.65 -4.40 -5.99 7.02 -1.08 0.16 117.44 109.91 1xei n TRP 63 Ca -0.11 0.22 -0.21 0.00 -1.02 0.00 0.00 57.50 56.39 1xei n TRP 63 Cb 0.34 -1.12 -0.09 0.00 -2.42 0.00 0.00 31.31 28.02 1xei n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1xei s ASN 65 N -3.45 5.45 0.00 0.00 2.47 -0.44 -4.44 114.94 114.54 1xei s ASN 65 Ca 0.33 0.10 0.00 0.00 0.42 0.00 0.00 52.86 53.71 1xei s ASN 65 Cb 0.06 -1.81 0.00 0.00 -1.45 0.00 0.00 41.25 38.05 1xei s ASN 65 CO 0.15 0.25 0.00 -0.90 -3.72 0.00 0.00 177.10 172.89 1xei n ASP 66 N 3.00 0.00 -0.19 -4.21 5.68 -1.26 0.16 116.55 119.73 1xei n ASP 66 Ca -0.18 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.11 1xei n ASP 66 Cb 0.53 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.51 1xei n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1xei n GLY 67 N 0.00 0.84 0.00 6.12 0.00 -1.26 -4.93 105.19 105.96 1xei n GLY 67 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1xei n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1xei n ARG 68 N -0.19 0.00 -1.56 1.61 1.85 -1.26 -5.12 116.66 111.98 1xei n ARG 68 Ca 0.00 0.00 -0.54 0.00 -1.00 0.00 0.00 57.85 56.31 1xei n ARG 68 Cb 0.15 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 31.49 1xei n ARG 68 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 1xei n THR 69 N 0.00 0.07 0.00 8.89 -1.04 -1.26 -4.86 114.28 116.08 1xei n THR 69 Ca 0.00 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 1xei n THR 69 Cb 0.00 -0.59 0.00 0.00 -1.82 0.00 0.00 70.33 67.92 1xei n THR 69 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1xei n PRO 70 N 2.19 0.00 -0.02 -2.82 -0.01 -1.26 -3.41 135.00 129.67 1xei n PRO 70 Ca 0.19 0.00 -0.05 0.00 -0.01 0.00 0.00 63.50 63.62 1xei n PRO 70 Cb 0.16 0.00 0.15 0.00 -0.01 0.00 0.00 33.50 33.80 1xei n PRO 70 CO 0.00 0.00 0.00 0.78 -0.01 0.00 0.00 175.50 176.27 1xei h GLY 71 N 0.00 0.62 -5.58 -1.23 0.00 -1.89 -3.47 103.07 91.52 1xei h GLY 71 Ca 0.00 -0.54 -0.26 0.00 0.00 0.00 0.00 47.33 46.52 1xei h GLY 71 CO 0.00 0.50 -0.95 -1.26 0.00 0.00 0.00 176.54 174.83 1xei n SER 72 N -4.09 -4.49 -0.09 0.19 2.88 -1.11 -4.89 113.62 102.02 1xei n SER 72 Ca -0.01 -0.06 -0.05 0.00 -1.33 0.00 0.00 58.87 57.43 1xei n SER 72 Cb 0.44 -1.26 0.15 0.00 -0.75 0.00 0.00 64.21 62.79 1xei n SER 72 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1xei h ARG 73 N 1.91 0.75 -6.42 -1.46 3.08 -1.59 -3.48 114.38 107.17 1xei h ARG 73 Ca -0.38 -0.23 -0.48 0.00 0.07 0.00 0.00 59.98 58.96 1xei h ARG 73 Cb 1.07 -0.07 0.02 0.00 0.08 0.00 0.00 29.97 31.07 1xei h ARG 73 CO 0.15 0.81 -0.93 -1.71 -1.07 0.00 0.00 179.97 177.22 1xei n ASN 74 N -4.18 -3.19 -0.03 7.04 5.15 0.16 -4.85 115.26 115.35 1xei n ASN 74 Ca 0.02 -1.05 0.00 0.00 -0.60 0.00 0.00 54.58 52.95 1xei n ASN 74 Cb 0.34 -3.05 0.30 0.00 -0.53 0.00 0.00 39.78 36.85 1xei n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1xei h LEU 75 N -1.96 0.55 -0.08 1.20 -0.00 0.15 -1.49 115.31 113.69 1xei h LEU 75 Ca -0.66 -0.08 0.00 0.00 -0.00 0.00 0.00 57.88 57.14 1xei h LEU 75 Cb 1.37 -0.14 0.00 0.00 -0.00 0.00 0.00 40.66 41.89 1xei h LEU 75 CO 0.54 0.55 0.00 0.00 -0.00 0.00 0.00 178.44 179.53 1xei n ASN 77 N -1.83 -4.24 -4.03 0.00 5.15 -0.56 -4.98 115.26 104.77 1xei n ASN 77 Ca 0.05 -0.50 -0.10 0.00 -0.60 0.00 0.00 54.58 53.43 1xei n ASN 77 Cb 0.33 -4.52 -0.11 0.00 -0.53 0.00 0.00 39.78 34.95 1xei n ASN 77 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1xei s ILE 78 N -3.30 0.29 0.35 -1.44 -4.36 -1.26 -5.08 121.20 106.40 1xei s ILE 78 Ca 0.30 -1.15 -0.27 0.00 -0.26 0.00 0.00 60.65 59.27 1xei s ILE 78 Cb -0.13 -0.63 -0.09 0.00 1.25 0.00 0.00 42.46 42.86 1xei s ILE 78 CO 0.64 -0.56 1.12 -2.16 0.24 0.00 0.00 174.94 174.22 1xei s PRO 79 N -2.00 4.32 0.51 0.37 0.04 -1.26 -1.33 135.00 135.66 1xei s PRO 79 Ca -0.09 1.77 0.30 0.00 0.04 0.00 0.00 61.00 63.02 1xei s PRO 79 Cb -0.06 -2.86 1.25 0.00 0.04 0.00 0.00 34.50 32.87 1xei s PRO 79 CO -0.02 -0.07 1.95 0.00 0.04 0.00 0.00 177.00 178.90 1xei h SER 81 N 0.00 0.92 -0.03 0.00 4.64 -1.93 -1.05 113.55 116.10 1xei h SER 81 Ca -0.00 -0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.32 1xei h SER 81 Cb 0.56 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1xei h SER 81 CO 0.01 0.62 0.61 0.00 -0.87 0.00 0.00 176.83 177.20 1xei h ALA 82 N 1.50 1.64 -0.37 5.18 0.00 -1.90 2.37 119.26 127.70 1xei h ALA 82 Ca 0.36 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1xei h ALA 82 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1xei h ALA 82 CO -0.12 -0.63 0.00 1.28 0.00 0.00 0.00 179.25 179.79 1xei n LEU 83 N -2.76 3.20 -0.00 0.00 4.32 -0.40 -4.03 117.00 117.33 1xei n LEU 83 Ca -0.01 -1.38 0.01 0.00 -0.02 0.00 0.00 56.01 54.61 1xei n LEU 83 Cb 0.65 -0.24 -0.01 0.00 -1.62 0.00 0.00 43.42 42.20 1xei n LEU 83 CO 0.09 0.69 -0.24 0.18 -1.22 0.00 0.00 177.39 176.88 1xei n LEU 84 N 1.32 0.05 -4.65 2.23 4.77 0.80 -3.53 117.00 117.99 1xei n LEU 84 Ca 0.19 -0.27 -0.30 0.00 -0.03 0.00 0.00 56.01 55.60 1xei n LEU 84 Cb 0.56 0.00 0.18 0.00 -2.33 0.00 0.00 43.42 41.83 1xei n LEU 84 CO 0.15 0.01 0.65 -0.94 -1.33 0.00 0.00 177.39 175.93 1xei s SER 85 N -1.67 2.68 0.04 -1.43 1.04 -0.95 -4.54 113.70 108.87 1xei s SER 85 Ca 0.00 1.95 0.26 0.00 0.48 0.00 0.00 55.95 58.64 1xei s SER 85 Cb 0.01 -2.48 0.65 0.00 0.10 0.00 0.00 66.02 64.31 1xei s SER 85 CO 0.08 -3.21 1.53 -1.54 0.98 0.00 0.00 173.24 171.07 1xei n SER 86 N -4.29 0.45 -4.55 7.02 3.41 -1.26 -4.53 113.62 109.86 1xei n SER 86 Ca 0.09 0.05 -0.41 0.00 -0.26 0.00 0.00 58.87 58.34 1xei n SER 86 Cb 0.53 0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.45 1xei n SER 86 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1xei s ASP 87 N -3.36 6.24 0.00 4.04 2.15 -1.26 -4.89 116.67 119.58 1xei s ASP 87 Ca 0.11 -0.67 0.06 0.00 0.43 0.00 0.00 52.55 52.47 1xei s ASP 87 Cb 0.17 -2.56 0.37 0.00 -0.30 0.00 0.00 42.92 40.59 1xei s ASP 87 CO 0.66 -1.77 0.90 2.30 -0.17 0.00 0.00 175.17 177.09 1xei n ILE 88 N 6.49 0.23 -0.14 4.11 -5.35 -1.26 -4.26 119.36 119.18 1xei n ILE 88 Ca 0.10 0.06 -0.07 0.00 -0.27 0.00 0.00 62.75 62.57 1xei n ILE 88 Cb 0.49 -0.96 -0.01 0.00 -1.74 0.00 0.00 39.64 37.43 1xei n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1xei h THR 89 N 0.00 0.23 -0.64 7.28 2.02 -1.90 -2.42 112.91 117.48 1xei h THR 89 Ca 0.00 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 1xei h THR 89 Cb 0.01 0.23 -0.03 0.00 -1.74 0.00 0.00 68.15 66.63 1xei h THR 89 CO 0.00 0.00 0.27 0.00 0.37 0.00 0.00 175.52 176.16 1xei h ALA 90 N 0.85 1.28 0.00 6.16 0.00 -1.77 0.11 119.26 125.90 1xei h ALA 90 Ca 0.19 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1xei h ALA 90 Cb 0.53 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1xei h ALA 90 CO -0.57 0.54 -0.37 0.66 0.00 0.00 0.00 179.25 179.51 1xei h SER 91 N 0.91 0.00 -0.04 0.00 4.64 -1.74 -1.22 113.55 116.10 1xei h SER 91 Ca 0.22 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.49 1xei h SER 91 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1xei h SER 91 CO -0.02 0.37 -0.16 0.58 -0.87 0.00 0.00 176.83 176.73 1xei h VAL 92 N 0.00 1.46 0.00 0.95 2.07 -0.91 -0.94 116.25 118.88 1xei h VAL 92 Ca -0.00 -1.61 -0.05 0.00 0.82 0.00 0.00 66.70 65.86 1xei h VAL 92 Cb 1.01 2.41 -0.01 0.00 -1.52 0.00 0.00 31.29 33.18 1xei h VAL 92 CO 0.05 0.44 -0.22 0.78 0.02 0.00 0.00 177.57 178.64 1xei h ASN 93 N -0.38 0.00 0.31 0.57 2.35 -0.68 -2.58 115.58 115.16 1xei h ASN 93 Ca -0.01 0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 55.41 1xei h ASN 93 Cb 0.80 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.18 1xei h ASN 93 CO 0.03 0.22 -1.63 0.00 -1.65 0.00 0.00 177.43 174.40 1xei h ALA 95 N 0.27 1.81 -0.19 0.00 0.00 -0.79 0.55 119.26 120.91 1xei h ALA 95 Ca -0.29 0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.47 1xei h ALA 95 Cb 2.08 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.73 1xei h ALA 95 CO 0.19 -0.05 -0.57 0.87 0.00 0.00 0.00 179.25 179.68 1xei h LYS 96 N 0.72 0.60 0.00 0.00 1.57 -1.59 -2.73 116.57 115.13 1xei h LYS 96 Ca 0.46 -0.39 -0.03 0.00 -1.87 0.00 0.00 60.65 58.82 1xei h LYS 96 Cb 0.71 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.06 1xei h LYS 96 CO -0.21 1.00 -0.14 -0.22 -0.57 0.00 0.00 179.45 179.31 1xei h LYS 97 N 0.45 0.00 0.19 3.15 3.64 -1.02 -3.13 116.57 119.85 1xei h LYS 97 Ca 0.00 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 59.06 1xei h LYS 97 Cb 1.13 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.97 1xei h LYS 97 CO 0.11 0.14 -1.52 0.82 -2.27 0.00 0.00 179.45 176.73 1xei h ILE 98 N 0.00 1.21 0.00 2.00 2.04 -1.04 -3.29 117.51 118.43 1xei h ILE 98 Ca -0.00 -2.74 -0.02 0.00 1.00 0.00 0.00 64.86 63.10 1xei h ILE 98 Cb 0.69 2.91 -0.00 0.00 -0.74 0.00 0.00 36.82 39.68 1xei h ILE 98 CO 0.02 0.84 -0.11 1.62 0.00 0.00 0.00 178.15 180.51 1xei h VAL 99 N 0.11 0.35 0.00 1.67 3.04 -1.55 -3.01 116.25 116.86 1xei h VAL 99 Ca -0.25 -0.71 0.00 0.00 -1.01 0.00 0.00 66.70 64.72 1xei h VAL 99 Cb 2.09 1.53 0.00 0.00 -2.01 0.00 0.00 31.29 32.90 1xei h VAL 99 CO 0.22 0.11 0.00 -1.20 -1.01 0.00 0.00 177.57 175.69 1xei n SER 100 N -3.34 0.00 -4.86 3.17 7.64 -1.18 -3.19 113.62 111.85 1xei n SER 100 Ca -0.00 -0.61 -0.27 0.00 1.01 0.00 0.00 58.87 58.99 1xei n SER 100 Cb 0.32 -0.09 -0.05 0.00 -1.01 0.00 0.00 64.21 63.38 1xei n SER 100 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1xei s ASP 101 N -2.18 5.93 0.00 6.43 2.15 -1.14 -4.92 116.67 122.94 1xei s ASP 101 Ca 0.36 0.05 0.00 0.00 0.43 0.00 0.00 52.55 53.39 1xei s ASP 101 Cb 0.18 -1.69 0.00 0.00 -0.30 0.00 0.00 42.92 41.12 1xei s ASP 101 CO 0.34 0.09 0.00 0.61 -0.17 0.00 0.00 175.17 176.04 1xei n GLY 102 N -0.22 0.07 0.28 2.66 0.00 -1.26 -2.16 105.19 104.56 1xei n GLY 102 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1xei n GLY 102 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1xei n ASN 103 N 0.98 2.68 0.00 1.61 0.23 -1.26 -5.10 115.26 114.40 1xei n ASN 103 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1xei n ASN 103 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 1xei n ASN 103 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1xei n GLY 104 N 3.18 0.80 0.00 4.83 0.00 -0.92 -2.48 105.19 110.60 1xei n GLY 104 Ca 0.00 -0.74 0.12 0.00 0.00 0.00 0.00 46.02 45.40 1xei n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1xei n MET 105 N 2.27 0.67 0.15 1.61 2.81 -1.26 -2.99 117.12 120.39 1xei n MET 105 Ca 0.00 0.01 0.12 0.00 -1.81 0.00 0.00 57.70 56.03 1xei n MET 105 Cb 0.00 -1.50 0.55 0.00 -0.71 0.00 0.00 33.22 31.56 1xei n MET 105 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 1xei h ASN 106 N 0.00 0.00 0.31 7.83 2.35 -1.90 -0.36 115.58 123.81 1xei h ASN 106 Ca 0.00 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 1xei h ASN 106 Cb 0.05 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 1xei h ASN 106 CO 0.00 0.00 -0.20 0.00 -1.65 0.00 0.00 177.43 175.58 1xei h ALA 107 N 2.16 1.45 -2.61 -0.83 0.00 -1.69 -3.39 119.26 114.34 1xei h ALA 107 Ca 0.00 -0.18 -0.66 0.00 0.00 0.00 0.00 54.91 54.07 1xei h ALA 107 Cb 0.24 -0.03 -0.17 0.00 0.00 0.00 0.00 17.79 17.82 1xei h ALA 107 CO 0.00 0.25 -0.30 -1.58 0.00 0.00 0.00 179.25 177.62 1xei s TRP 108 N -4.34 3.21 0.15 0.00 0.51 -0.15 -4.96 118.94 113.36 1xei s TRP 108 Ca -0.03 -0.02 -0.16 0.00 -2.12 0.00 0.00 56.10 53.76 1xei s TRP 108 Cb 0.14 -2.65 0.01 0.00 -0.81 0.00 0.00 33.47 30.16 1xei s TRP 108 CO 0.66 -0.42 1.80 -0.24 -0.51 0.00 0.00 176.95 178.24 1xei h VAL 109 N 5.53 1.12 0.00 4.03 3.04 -1.84 -1.47 116.25 126.66 1xei h VAL 109 Ca -0.30 -0.24 -0.08 0.00 -1.01 0.00 0.00 66.70 65.06 1xei h VAL 109 Cb 1.15 0.56 -0.01 0.00 -2.01 0.00 0.00 31.29 30.97 1xei h VAL 109 CO 0.69 0.12 -0.40 0.00 -1.01 0.00 0.00 177.57 176.96 1xei h ALA 110 N 1.13 1.32 -0.06 3.17 0.00 -1.91 -2.81 119.26 120.09 1xei h ALA 110 Ca 0.15 -0.37 -0.25 0.00 0.00 0.00 0.00 54.91 54.44 1xei h ALA 110 Cb -0.03 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 17.71 1xei h ALA 110 CO -0.03 0.50 -0.93 2.35 0.00 0.00 0.00 179.25 181.14 1xei h TRP 111 N 0.00 1.02 -0.12 0.00 7.01 -1.78 -2.54 115.95 119.54 1xei h TRP 111 Ca -0.00 -0.51 -0.13 0.00 2.11 0.00 0.00 58.89 60.36 1xei h TRP 111 Cb 0.72 -0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 27.63 1xei h TRP 111 CO 0.00 1.35 -0.48 0.00 -2.79 0.00 0.00 178.44 176.51 1xei h ARG 112 N 0.44 0.31 -0.02 2.65 3.08 -1.10 0.50 114.38 120.23 1xei h ARG 112 Ca -0.09 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 59.78 1xei h ARG 112 Cb 1.57 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.63 1xei h ARG 112 CO 0.18 0.73 -0.01 0.09 -1.07 0.00 0.00 179.97 179.89 1xei n ASN 113 N -3.97 2.47 0.01 7.04 4.13 -1.08 -4.41 115.26 119.45 1xei n ASN 113 Ca -0.02 -1.73 0.00 0.00 1.68 0.00 0.00 54.58 54.51 1xei n ASN 113 Cb 0.54 0.01 0.00 0.00 -1.54 0.00 0.00 39.78 38.79 1xei n ASN 113 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1xei n ARG 114 N 0.98 0.00 -0.10 3.52 5.12 -0.96 -4.97 116.66 120.25 1xei n ARG 114 Ca 0.10 0.00 -0.21 0.00 -1.93 0.00 0.00 57.85 55.81 1xei n ARG 114 Cb 0.44 -0.36 -0.12 0.00 -1.16 0.00 0.00 32.46 31.27 1xei n ARG 114 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1xei n LYS 116 N -4.41 0.34 0.00 0.00 4.81 0.15 -1.81 118.16 117.23 1xei n LYS 116 Ca -0.30 0.12 0.00 0.00 -0.87 0.00 0.00 58.31 57.26 1xei n LYS 116 Cb 0.68 -1.70 0.00 0.00 0.02 0.00 0.00 35.03 34.03 1xei n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1xei n GLY 117 N 4.97 1.36 3.85 3.14 0.00 -1.26 -4.92 105.19 112.32 1xei n GLY 117 Ca 0.36 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.17 1xei n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xei s THR 118 N -2.25 3.27 -0.84 2.61 -4.23 -0.75 -4.99 115.64 108.46 1xei s THR 118 Ca 0.00 -1.38 -0.22 0.00 -1.18 0.00 0.00 61.69 58.91 1xei s THR 118 Cb 0.00 -3.12 -0.14 0.00 1.34 0.00 0.00 72.50 70.57 1xei s THR 118 CO 0.00 -0.13 1.93 -0.90 -0.54 0.00 0.00 174.62 174.98 1xei n ASP 119 N -1.40 2.64 0.19 3.99 5.75 -1.26 -4.73 116.55 121.73 1xei n ASP 119 Ca -0.01 -2.69 0.12 0.00 -0.01 0.00 0.00 54.79 52.21 1xei n ASP 119 Cb 0.60 -1.21 0.64 0.00 -1.03 0.00 0.00 41.12 40.13 1xei n ASP 119 CO 0.00 0.00 0.00 -0.37 -0.11 0.00 0.00 177.20 176.72 1xei h VAL 120 N 4.67 0.00 0.00 2.12 -1.51 -1.92 -2.21 116.25 117.40 1xei h VAL 120 Ca 0.40 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.87 1xei h VAL 120 Cb 0.70 0.52 0.00 0.00 -2.13 0.00 0.00 31.29 30.38 1xei h VAL 120 CO 1.87 0.00 0.00 1.67 -1.23 0.00 0.00 177.57 179.88 1xei n GLN 121 N -2.35 0.82 0.24 5.19 -0.06 -1.26 -2.49 117.38 117.48 1xei n GLN 121 Ca -0.02 0.00 0.12 0.00 -2.00 0.00 0.00 57.00 55.11 1xei n GLN 121 Cb 0.10 -1.49 0.57 0.00 -4.06 0.00 0.00 30.24 25.36 1xei n GLN 121 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1xei h ALA 122 N 3.63 1.06 0.00 1.69 0.00 -1.77 -3.10 119.26 120.77 1xei h ALA 122 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1xei h ALA 122 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1xei h ALA 122 CO 0.00 0.19 0.00 -1.49 0.00 0.00 0.00 179.25 177.95 1xei h TRP 123 N 0.00 0.00 -0.04 0.00 4.06 -1.74 -3.09 115.95 115.15 1xei h TRP 123 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1xei h TRP 123 Cb 0.61 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.77 1xei h TRP 123 CO 0.00 0.00 0.00 0.44 -3.56 0.00 0.00 178.44 175.32 1xei n ILE 124 N -2.47 0.20 -2.98 1.49 -6.64 -1.17 -4.78 119.36 103.01 1xei n ILE 124 Ca 0.02 -0.60 -0.40 0.00 -1.77 0.00 0.00 62.75 60.00 1xei n ILE 124 Cb 0.25 0.98 -0.05 0.00 -1.44 0.00 0.00 39.64 39.38 1xei n ILE 124 CO 0.00 0.00 0.00 -0.13 -1.77 0.00 0.00 176.55 174.65 1xei s ARG 125 N -0.54 4.50 0.00 6.28 1.81 -1.17 -3.81 118.95 126.03 1xei s ARG 125 Ca 0.07 1.08 0.00 0.00 -1.72 0.00 0.00 55.73 55.16 1xei s ARG 125 Cb 0.04 -3.36 0.00 0.00 -0.45 0.00 0.00 34.95 31.19 1xei s ARG 125 CO 0.06 0.30 0.00 0.41 -0.68 0.00 0.00 175.30 175.39 1xei n GLY 126 N 2.34 0.76 0.00 -3.53 0.00 -1.26 -5.00 105.19 98.49 1xei n GLY 126 Ca -0.03 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1xei n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xei n ARG 128 N -0.15 -1.90 0.00 0.00 3.00 -1.26 -4.99 116.66 111.36 1xei n ARG 128 Ca 0.00 0.91 0.00 0.00 -0.01 0.00 0.00 57.85 58.75 1xei n ARG 128 Cb 0.27 -5.47 0.00 0.00 0.00 0.00 0.00 32.46 27.26 1xei n ARG 128 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.63 179.10