#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d91 s VAL 2 N 0.00 5.07 0.65 3.15 1.01 -1.26 -1.43 120.40 127.59 2d91 s VAL 2 Ca 0.00 -0.69 -0.11 0.00 0.00 0.00 0.00 61.98 61.18 2d91 s VAL 2 Cb 0.00 -3.82 -0.02 0.00 0.00 0.00 0.00 36.38 32.55 2d91 s VAL 2 CO 0.00 -0.27 1.04 -0.36 0.00 0.00 0.00 175.10 175.51 2d91 s PHE 3 N 1.65 3.35 0.39 5.22 0.40 0.60 -4.99 117.98 124.60 2d91 s PHE 3 Ca 0.04 1.37 -0.03 0.00 -0.60 0.00 0.00 56.93 57.72 2d91 s PHE 3 Cb -0.19 -2.81 -0.04 0.00 0.51 0.00 0.00 43.02 40.49 2d91 s PHE 3 CO 0.09 -0.95 0.65 0.20 0.70 0.00 0.00 175.22 175.90 2d91 s GLY 4 N -3.88 1.47 0.12 4.36 0.00 -1.26 -4.81 107.32 103.31 2d91 s GLY 4 Ca 0.57 -0.69 -0.33 0.00 0.00 0.00 0.00 44.72 44.27 2d91 s GLY 4 CO 0.53 -0.58 1.56 -0.09 0.00 0.00 0.00 173.10 174.52 2d91 h ARG 5 N 0.66 -0.61 -0.35 2.90 2.43 -1.97 -1.09 114.38 116.34 2d91 h ARG 5 Ca -0.48 0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 58.64 2d91 h ARG 5 Cb 1.21 0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.88 2d91 h ARG 5 CO 0.62 -0.40 -0.15 0.00 -1.51 0.00 0.00 179.97 178.53 2d91 h GLU 7 N 0.58 1.30 -0.19 0.00 4.81 -1.83 -1.87 114.58 117.37 2d91 h GLU 7 Ca 0.10 -0.09 -0.12 0.00 -0.13 0.00 0.00 59.36 59.12 2d91 h GLU 7 Cb 0.58 -0.29 0.00 0.00 0.63 0.00 0.00 28.75 29.68 2d91 h GLU 7 CO 0.04 0.87 -0.36 1.25 -0.73 0.00 0.00 179.01 180.08 2d91 h LEU 8 N 1.33 0.64 -0.21 1.64 5.85 -1.09 -1.70 115.31 121.79 2d91 h LEU 8 Ca 0.36 -0.54 0.06 0.00 0.84 0.00 0.00 57.88 58.59 2d91 h LEU 8 Cb -0.13 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 40.65 2d91 h LEU 8 CO -0.07 1.07 -0.22 0.00 -0.34 0.00 0.00 178.44 178.87 2d91 h ALA 9 N 0.59 -0.12 -0.36 1.25 0.00 -1.24 0.54 119.26 119.92 2d91 h ALA 9 Ca 0.01 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.04 2d91 h ALA 9 Cb 0.96 0.46 -0.05 0.00 0.00 0.00 0.00 17.79 19.15 2d91 h ALA 9 CO 0.08 -0.65 0.08 0.00 0.00 0.00 0.00 179.25 178.76 2d91 h ALA 10 N 0.80 0.40 -0.42 0.00 0.00 -1.35 0.43 119.26 119.12 2d91 h ALA 10 Ca 0.13 0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.16 2d91 h ALA 10 Cb 0.43 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 2d91 h ALA 10 CO -0.35 -0.32 0.12 0.00 0.00 0.00 0.00 179.25 178.70 2d91 h ALA 11 N 1.27 0.48 -0.27 0.00 0.00 -0.15 0.24 119.26 120.83 2d91 h ALA 11 Ca 0.17 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 2d91 h ALA 11 Cb 0.19 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2d91 h ALA 11 CO -0.22 -0.28 -0.05 0.52 0.00 0.00 0.00 179.25 179.22 2d91 h MET 12 N 0.26 0.52 -0.12 0.00 2.86 0.68 -2.25 114.93 116.88 2d91 h MET 12 Ca 0.20 -0.19 0.02 0.00 -2.06 0.00 0.00 59.70 57.67 2d91 h MET 12 Cb 0.21 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.82 2d91 h MET 12 CO -0.23 0.71 -0.02 -0.22 1.06 0.00 0.00 176.91 178.22 2d91 h LYS 13 N 0.28 0.02 -0.07 1.72 3.64 0.23 -0.19 116.57 122.19 2d91 h LYS 13 Ca 0.07 -0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.47 2d91 h LYS 13 Cb 0.51 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.33 2d91 h LYS 13 CO 0.02 0.01 0.14 -0.09 -2.27 0.00 0.00 179.45 177.26 2d91 h ARG 14 N 0.02 0.00 -0.64 1.90 1.12 -0.45 -0.44 114.38 115.89 2d91 h ARG 14 Ca 0.06 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.93 2d91 h ARG 14 Cb 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.04 2d91 h ARG 14 CO -0.11 0.00 0.00 0.72 -3.11 0.00 0.00 179.97 177.47 2d91 n HIS 15 N -3.44 1.38 -2.80 2.20 8.25 -0.11 -4.96 115.22 115.74 2d91 n HIS 15 Ca -0.01 -0.54 -0.12 0.00 -0.26 0.00 0.00 57.72 56.80 2d91 n HIS 15 Cb 0.23 -0.25 0.03 0.00 1.12 0.00 0.00 29.99 31.11 2d91 n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2d91 n GLY 16 N 1.00 0.13 0.02 -1.41 0.00 -0.17 -4.95 105.19 99.81 2d91 n GLY 16 Ca 0.23 -0.28 0.11 0.00 0.00 0.00 0.00 46.02 46.08 2d91 n GLY 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2d91 n LEU 17 N -2.39 0.12 -4.67 0.99 4.77 -1.04 -4.70 117.00 110.08 2d91 n LEU 17 Ca -0.03 0.03 -0.47 0.00 -0.03 0.00 0.00 56.01 55.51 2d91 n LEU 17 Cb 0.55 -0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.59 2d91 n LEU 17 CO 0.27 -0.02 1.53 -0.67 -1.33 0.00 0.00 177.39 177.18 2d91 n ASP 18 N -2.29 3.60 -2.26 -1.43 2.03 -1.26 -1.23 116.55 113.71 2d91 n ASP 18 Ca -0.03 0.93 -0.15 0.00 0.52 0.00 0.00 54.79 56.05 2d91 n ASP 18 Cb 0.56 -1.41 -0.02 0.00 -0.72 0.00 0.00 41.12 39.54 2d91 n ASP 18 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2d91 n ASN 19 N 7.04 -4.55 -4.70 1.67 3.02 0.36 -4.86 115.26 113.23 2d91 n ASN 19 Ca 0.23 0.16 -0.42 0.00 -0.03 0.00 0.00 54.58 54.52 2d91 n ASN 19 Cb 0.32 -3.88 -0.03 0.00 -0.61 0.00 0.00 39.78 35.58 2d91 n ASN 19 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2d91 s TYR 20 N -2.69 3.05 -1.67 3.10 5.04 -0.36 -1.95 117.35 121.86 2d91 s TYR 20 Ca 0.00 0.89 0.00 0.00 -2.44 0.00 0.00 57.07 55.52 2d91 s TYR 20 Cb 0.00 -3.67 0.00 0.00 0.35 0.00 0.00 41.96 38.64 2d91 s TYR 20 CO 0.00 -2.40 0.00 0.54 -1.34 0.00 0.00 175.55 172.35 2d91 n ARG 21 N 4.64 -1.65 -0.47 4.97 5.12 -1.26 -1.78 116.66 126.23 2d91 n ARG 21 Ca 0.12 0.94 0.00 0.00 -1.93 0.00 0.00 57.85 56.98 2d91 n ARG 21 Cb 0.43 -5.42 0.00 0.00 -1.16 0.00 0.00 32.46 26.31 2d91 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2d91 n GLY 22 N -0.63 0.91 3.49 -0.13 0.00 -0.82 -5.03 105.19 102.97 2d91 n GLY 22 Ca -0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 2d91 n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2d91 s TYR 23 N -3.02 3.05 0.66 1.61 2.02 -0.73 -4.86 117.35 116.07 2d91 s TYR 23 Ca 0.00 -0.26 -0.17 0.00 -0.37 0.00 0.00 57.07 56.27 2d91 s TYR 23 Cb 0.00 -3.43 -0.01 0.00 -0.40 0.00 0.00 41.96 38.11 2d91 s TYR 23 CO 0.00 -0.95 1.07 -1.13 -1.57 0.00 0.00 175.55 172.97 2d91 n SER 24 N 6.26 1.05 -0.34 2.29 3.41 -1.26 -0.49 113.62 124.54 2d91 n SER 24 Ca -0.04 0.76 0.25 0.00 -0.26 0.00 0.00 58.87 59.58 2d91 n SER 24 Cb 0.47 -1.45 0.50 0.00 -0.26 0.00 0.00 64.21 63.47 2d91 n SER 24 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2d91 h LEU 25 N 0.19 0.49 -1.87 1.04 5.85 -1.89 0.09 115.31 119.20 2d91 h LEU 25 Ca -0.49 0.18 0.11 0.00 0.84 0.00 0.00 57.88 58.53 2d91 h LEU 25 Cb 1.35 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.49 2d91 h LEU 25 CO 0.50 -0.14 0.34 1.23 -0.34 0.00 0.00 178.44 180.03 2d91 h GLY 26 N 0.30 0.21 0.78 3.75 0.00 -1.89 -1.84 103.07 104.38 2d91 h GLY 26 Ca 0.74 -0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.99 2d91 h GLY 26 CO -0.58 0.03 0.01 3.43 0.00 0.00 0.00 176.54 179.43 2d91 h ASN 27 N 0.15 0.19 -0.74 0.19 2.35 -1.19 -0.71 115.58 115.81 2d91 h ASN 27 Ca 0.23 -0.28 -0.03 0.00 -0.55 0.00 0.00 56.30 55.66 2d91 h ASN 27 Cb 0.71 -0.05 -0.03 0.00 0.05 0.00 0.00 38.32 39.00 2d91 h ASN 27 CO -0.03 0.43 0.34 -0.50 -1.65 0.00 0.00 177.43 176.02 2d91 h TRP 28 N -0.05 1.10 -0.25 1.19 4.06 -1.44 -0.11 115.95 120.45 2d91 h TRP 28 Ca 0.03 -0.06 -0.11 0.00 2.06 0.00 0.00 58.89 60.81 2d91 h TRP 28 Cb 0.32 -0.34 -0.00 0.00 -1.00 0.00 0.00 29.16 28.14 2d91 h TRP 28 CO 0.03 0.81 -0.29 0.28 -3.56 0.00 0.00 178.44 175.71 2d91 h VAL 29 N 1.08 1.31 -0.62 1.49 2.07 -1.35 -1.72 116.25 118.52 2d91 h VAL 29 Ca 0.26 -1.47 -0.01 0.00 0.82 0.00 0.00 66.70 66.29 2d91 h VAL 29 Cb 0.14 1.69 -0.03 0.00 -1.52 0.00 0.00 31.29 31.57 2d91 h VAL 29 CO -0.03 0.46 0.33 0.00 0.02 0.00 0.00 177.57 178.35 2d91 h ALA 31 N 1.15 -0.25 -0.78 0.00 0.00 -0.95 -2.68 119.26 115.76 2d91 h ALA 31 Ca 0.22 -0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.14 2d91 h ALA 31 Cb 0.06 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.87 2d91 h ALA 31 CO -0.03 -0.61 0.43 0.00 0.00 0.00 0.00 179.25 179.04 2d91 h ALA 32 N 0.50 1.09 -0.12 0.00 0.00 -1.17 0.04 119.26 119.61 2d91 h ALA 32 Ca -0.03 0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.96 2d91 h ALA 32 Cb 0.24 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.85 2d91 h ALA 32 CO 0.04 0.07 -0.32 -0.22 0.00 0.00 0.00 179.25 178.82 2d91 h LYS 33 N 0.74 -0.39 0.00 0.00 1.63 -0.92 0.18 116.57 117.82 2d91 h LYS 33 Ca 0.37 0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 60.19 2d91 h LYS 33 Cb 0.33 0.09 -0.00 0.00 -0.60 0.00 0.00 32.23 32.04 2d91 h LYS 33 CO -0.24 -0.26 -0.05 0.74 -3.45 0.00 0.00 179.45 176.19 2d91 h PHE 34 N -0.40 0.00 0.15 1.91 0.04 -1.18 0.30 116.94 117.76 2d91 h PHE 34 Ca 0.09 0.00 -0.21 0.00 2.80 0.00 0.00 57.97 60.65 2d91 h PHE 34 Cb 0.54 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.72 2d91 h PHE 34 CO -0.40 0.05 -0.92 0.93 -0.60 0.00 0.00 178.31 177.37 2d91 h GLU 35 N 0.00 0.37 0.00 1.51 4.39 -0.63 -3.42 114.58 116.79 2d91 h GLU 35 Ca -0.00 -0.59 0.00 0.00 0.34 0.00 0.00 59.36 59.11 2d91 h GLU 35 Cb 0.99 0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 2d91 h GLU 35 CO 0.01 1.27 0.00 -1.13 -1.16 0.00 0.00 179.01 178.00 2d91 n SER 36 N -4.05 0.02 -3.73 1.42 3.41 0.02 -4.79 113.62 105.91 2d91 n SER 36 Ca -0.14 -1.01 -0.28 0.00 -0.26 0.00 0.00 58.87 57.18 2d91 n SER 36 Cb 0.86 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.83 2d91 n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2d91 n ASN 37 N -0.00 -4.61 -1.65 4.04 5.15 0.11 -1.39 115.26 116.91 2d91 n ASN 37 Ca 0.00 -0.66 -0.16 0.00 -0.60 0.00 0.00 54.58 53.16 2d91 n ASN 37 Cb 0.41 -3.71 -0.02 0.00 -0.53 0.00 0.00 39.78 35.92 2d91 n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 2d91 n PHE 38 N -4.48 -0.56 -3.76 1.20 3.72 -1.24 -4.81 117.46 107.53 2d91 n PHE 38 Ca 0.02 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.05 2d91 n PHE 38 Cb 0.53 -3.12 -0.13 0.00 -0.94 0.00 0.00 39.48 35.83 2d91 n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 2d91 s ASN 39 N -2.43 5.20 0.58 4.37 2.47 -0.48 -0.29 114.94 124.35 2d91 s ASN 39 Ca 0.00 -0.96 0.28 0.00 0.42 0.00 0.00 52.86 52.59 2d91 s ASN 39 Cb 0.00 -1.86 1.61 0.00 -1.45 0.00 0.00 41.25 39.55 2d91 s ASN 39 CO 0.00 -0.27 2.09 0.71 -3.72 0.00 0.00 177.10 175.91 2d91 h THR 40 N 6.06 0.51 -0.48 -5.21 1.35 -1.54 -2.18 112.91 111.42 2d91 h THR 40 Ca -0.27 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 2d91 h THR 40 Cb 1.10 0.83 0.00 0.00 -1.73 0.00 0.00 68.15 68.35 2d91 h THR 40 CO 0.60 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.87 2d91 n GLN 41 N -3.88 2.85 -2.25 4.72 6.02 -1.25 -3.77 117.38 119.82 2d91 n GLN 41 Ca 0.02 -2.05 -0.40 0.00 -0.01 0.00 0.00 57.00 54.56 2d91 n GLN 41 Cb 0.35 -1.67 -0.03 0.00 1.02 0.00 0.00 30.24 29.91 2d91 n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2d91 s ALA 42 N -1.68 3.42 -0.02 -1.58 0.00 -0.82 -4.85 121.76 116.23 2d91 s ALA 42 Ca 0.37 1.11 -0.10 0.00 0.00 0.00 0.00 51.96 53.34 2d91 s ALA 42 Cb 0.23 -3.42 0.01 0.00 0.00 0.00 0.00 23.12 19.94 2d91 s ALA 42 CO 0.19 -0.48 0.21 0.95 0.00 0.00 0.00 175.76 176.63 2d91 s THR 43 N -1.19 0.06 -0.05 0.00 -4.23 -1.26 -1.37 115.64 107.59 2d91 s THR 43 Ca 0.49 -0.48 -0.03 0.00 -1.18 0.00 0.00 61.69 60.49 2d91 s THR 43 Cb -0.36 -0.46 0.03 0.00 1.34 0.00 0.00 72.50 73.05 2d91 s THR 43 CO 0.47 -0.26 0.13 0.21 -0.54 0.00 0.00 174.62 174.63 2d91 s ASN 44 N -1.03 -0.10 -0.20 3.99 3.04 -1.01 -4.99 114.94 114.64 2d91 s ASN 44 Ca -0.11 0.26 -0.18 0.00 0.04 0.00 0.00 52.86 52.86 2d91 s ASN 44 Cb -0.06 0.18 -0.03 0.00 -1.54 0.00 0.00 41.25 39.80 2d91 s ASN 44 CO 0.02 -0.11 0.51 -0.60 -3.04 0.00 0.00 177.10 173.88 2d91 s ARG 45 N 0.80 4.19 0.45 0.43 6.06 -1.26 -0.97 118.95 128.65 2d91 s ARG 45 Ca -0.06 0.40 -0.10 0.00 -2.50 0.00 0.00 55.73 53.48 2d91 s ARG 45 Cb -0.08 -3.56 -0.06 0.00 0.06 0.00 0.00 34.95 31.32 2d91 s ARG 45 CO -0.04 -0.14 0.81 -0.80 -2.50 0.00 0.00 175.30 172.64 2d91 s ASN 46 N 1.13 6.45 0.64 -2.12 0.02 0.18 -4.97 114.94 116.27 2d91 s ASN 46 Ca 0.24 1.15 0.40 0.00 -1.02 0.00 0.00 52.86 53.63 2d91 s ASN 46 Cb -0.15 -2.33 2.18 0.00 0.02 0.00 0.00 41.25 40.96 2d91 s ASN 46 CO 0.10 -0.50 2.30 0.71 0.02 0.00 0.00 177.10 179.73 2d91 h THR 47 N 0.76 0.13 -0.04 1.60 1.35 -1.98 -1.68 112.91 113.05 2d91 h THR 47 Ca -0.47 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.31 2d91 h THR 47 Cb 1.19 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 68.68 2d91 h THR 47 CO 0.63 0.01 0.00 -0.90 -0.25 0.00 0.00 175.52 175.01 2d91 n ASP 48 N -3.25 1.21 0.00 5.36 5.75 -1.26 -4.90 116.55 119.46 2d91 n ASP 48 Ca -0.03 -1.46 0.00 0.00 -0.01 0.00 0.00 54.79 53.29 2d91 n ASP 48 Cb 0.10 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.17 2d91 n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2d91 n GLY 49 N 1.12 3.04 3.77 6.12 0.00 -0.63 -5.00 105.19 113.60 2d91 n GLY 49 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 2d91 n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2d91 s SER 50 N -1.14 3.80 0.01 1.61 1.04 -1.26 -4.71 113.70 113.06 2d91 s SER 50 Ca 0.00 1.23 0.02 0.00 0.48 0.00 0.00 55.95 57.68 2d91 s SER 50 Cb 0.00 -1.90 -0.01 0.00 0.10 0.00 0.00 66.02 64.21 2d91 s SER 50 CO 0.00 -2.40 -0.07 -0.89 0.98 0.00 0.00 173.24 170.86 2d91 s THR 51 N -3.13 0.50 -0.15 2.02 2.01 -1.26 -0.65 115.64 114.98 2d91 s THR 51 Ca 0.63 -0.54 -0.08 0.00 0.31 0.00 0.00 61.69 62.01 2d91 s THR 51 Cb -0.16 -0.47 -0.04 0.00 0.01 0.00 0.00 72.50 71.84 2d91 s THR 51 CO 0.55 -0.04 0.14 -1.81 -0.69 0.00 0.00 174.62 172.77 2d91 s ASP 52 N -0.63 6.33 0.06 3.53 1.01 -0.14 -0.43 116.67 126.39 2d91 s ASP 52 Ca -0.02 0.38 0.07 0.00 0.71 0.00 0.00 52.55 53.70 2d91 s ASP 52 Cb -0.05 -2.08 -0.03 0.00 1.01 0.00 0.00 42.92 41.77 2d91 s ASP 52 CO 0.00 0.32 -0.19 -0.31 0.21 0.00 0.00 175.17 175.20 2d91 s TYR 53 N -0.51 1.68 0.00 4.23 1.51 -0.10 -2.41 117.35 121.75 2d91 s TYR 53 Ca 0.12 -0.39 0.00 0.00 -1.01 0.00 0.00 57.07 55.80 2d91 s TYR 53 Cb -0.12 -0.97 0.00 0.00 -0.11 0.00 0.00 41.96 40.76 2d91 s TYR 53 CO 0.02 0.12 0.00 0.41 -1.11 0.00 0.00 175.55 174.98 2d91 n GLY 54 N 1.59 -2.02 0.32 0.71 0.00 -0.47 -1.06 105.19 104.25 2d91 n GLY 54 Ca -0.18 -1.40 0.11 0.00 0.00 0.00 0.00 46.02 44.55 2d91 n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2d91 h ILE 55 N -0.01 0.94 -0.16 -0.61 2.10 -1.71 -2.28 117.51 115.77 2d91 h ILE 55 Ca 0.00 -0.06 -0.00 0.00 1.08 0.00 0.00 64.86 65.88 2d91 h ILE 55 Cb 0.01 0.74 -0.00 0.00 -1.09 0.00 0.00 36.82 36.48 2d91 h ILE 55 CO 0.00 0.03 -0.00 0.18 -1.08 0.00 0.00 178.15 177.28 2d91 n LEU 56 N -4.48 3.32 -3.96 2.19 4.77 -1.26 -3.93 117.00 113.65 2d91 n LEU 56 Ca 0.04 -3.05 -0.38 0.00 -0.03 0.00 0.00 56.01 52.58 2d91 n LEU 56 Cb 0.26 -0.50 0.01 0.00 -2.33 0.00 0.00 43.42 40.86 2d91 n LEU 56 CO 0.35 0.69 -0.18 0.00 -1.33 0.00 0.00 177.39 176.92 2d91 n GLN 57 N -0.86 -0.62 -2.58 3.23 1.13 -0.86 -4.88 117.38 111.94 2d91 n GLN 57 Ca 0.19 0.22 -0.42 0.00 -1.94 0.00 0.00 57.00 55.05 2d91 n GLN 57 Cb 0.80 -2.13 -0.03 0.00 0.11 0.00 0.00 30.24 28.99 2d91 n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2d91 s ILE 58 N -3.42 4.52 0.32 5.09 1.01 -0.23 -4.39 121.20 124.10 2d91 s ILE 58 Ca 0.32 1.81 -0.27 0.00 0.00 0.00 0.00 60.65 62.50 2d91 s ILE 58 Cb -0.18 -4.16 -0.09 0.00 0.01 0.00 0.00 42.46 38.04 2d91 s ILE 58 CO 0.88 0.04 1.08 0.21 0.00 0.00 0.00 174.94 177.14 2d91 s ASN 59 N 1.22 7.09 0.45 3.58 2.47 -1.26 -0.93 114.94 127.57 2d91 s ASN 59 Ca 0.53 2.18 0.25 0.00 0.42 0.00 0.00 52.86 56.23 2d91 s ASN 59 Cb -0.22 -2.61 0.59 0.00 -1.45 0.00 0.00 41.25 37.56 2d91 s ASN 59 CO 0.22 -0.26 1.70 0.77 -3.72 0.00 0.00 177.10 175.80 2d91 h SER 60 N 3.34 0.00 -0.24 -4.21 4.64 -0.99 -2.61 113.55 113.49 2d91 h SER 60 Ca -0.47 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 60.92 2d91 h SER 60 Cb 1.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 2d91 h SER 60 CO 0.65 0.07 0.18 -0.09 -0.87 0.00 0.00 176.83 176.77 2d91 h ARG 61 N 0.00 0.00 0.00 4.77 9.65 -1.83 -3.37 114.38 123.60 2d91 h ARG 61 Ca -0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2d91 h ARG 61 Cb 0.91 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.49 2d91 h ARG 61 CO 0.01 0.00 -0.47 0.91 2.80 0.00 0.00 179.97 183.22 2d91 n TRP 62 N -4.37 0.00 -0.01 2.20 8.01 -1.24 -1.19 117.44 120.84 2d91 n TRP 62 Ca 0.03 0.00 0.01 0.00 -1.31 0.00 0.00 57.50 56.23 2d91 n TRP 62 Cb 0.33 0.00 -0.12 0.00 -2.01 0.00 0.00 31.31 29.51 2d91 n TRP 62 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.69 177.59 2d91 n TRP 63 N -1.57 0.43 -3.82 -5.99 7.02 -0.98 -0.56 117.44 111.97 2d91 n TRP 63 Ca 0.00 0.14 -0.10 0.00 -1.02 0.00 0.00 57.50 56.52 2d91 n TRP 63 Cb 0.23 -0.89 -0.08 0.00 -2.42 0.00 0.00 31.31 28.15 2d91 n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2d91 s ASN 65 N -2.17 6.31 -0.01 0.00 2.47 -0.91 -4.54 114.94 116.09 2d91 s ASN 65 Ca -0.04 0.35 0.02 0.00 0.42 0.00 0.00 52.86 53.61 2d91 s ASN 65 Cb -0.00 -2.17 0.03 0.00 -1.45 0.00 0.00 41.25 37.66 2d91 s ASN 65 CO -0.05 0.02 0.92 -0.90 -3.72 0.00 0.00 177.10 173.38 2d91 n ASP 66 N 4.18 1.61 0.00 -4.21 5.68 -1.26 -1.64 116.55 120.91 2d91 n ASP 66 Ca -0.12 -1.93 0.00 0.00 -0.50 0.00 0.00 54.79 52.24 2d91 n ASP 66 Cb 0.52 -0.05 0.00 0.00 -1.14 0.00 0.00 41.12 40.45 2d91 n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2d91 n GLY 67 N -0.49 0.00 0.71 6.12 0.00 -1.26 -4.72 105.19 105.54 2d91 n GLY 67 Ca 0.02 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.07 2d91 n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2d91 n ARG 68 N -0.03 0.34 -3.88 1.61 1.85 -1.26 -4.91 116.66 110.37 2d91 n ARG 68 Ca 0.00 -1.71 -0.28 0.00 -1.00 0.00 0.00 57.85 54.86 2d91 n ARG 68 Cb 0.32 -0.62 -0.12 0.00 -1.05 0.00 0.00 32.46 30.99 2d91 n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 2d91 s THR 69 N -0.73 2.80 0.05 8.89 2.01 -1.26 -4.83 115.64 122.58 2d91 s THR 69 Ca 0.17 -4.20 -0.38 0.00 0.31 0.00 0.00 61.69 57.59 2d91 s THR 69 Cb 0.18 -2.85 -0.17 0.00 0.01 0.00 0.00 72.50 69.67 2d91 s THR 69 CO -0.05 -1.01 1.30 -2.65 -0.69 0.00 0.00 174.62 171.52 2d91 n PRO 70 N 2.03 0.89 -2.75 4.92 -0.02 -1.26 -2.42 135.00 136.40 2d91 n PRO 70 Ca 0.20 0.32 -0.14 0.00 -2.02 0.00 0.00 63.50 61.86 2d91 n PRO 70 Cb 0.35 -1.93 0.02 0.00 -0.02 0.00 0.00 33.50 31.92 2d91 n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2d91 n GLY 71 N 2.36 -0.07 3.85 -1.23 0.00 -1.26 -5.04 105.19 103.81 2d91 n GLY 71 Ca 0.19 -0.21 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 2d91 n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2d91 s SER 72 N -2.83 4.65 0.45 1.61 1.04 -1.01 -5.07 113.70 112.53 2d91 s SER 72 Ca 0.19 -1.11 0.07 0.00 0.48 0.00 0.00 55.95 55.58 2d91 s SER 72 Cb -0.09 -0.01 -0.01 0.00 0.10 0.00 0.00 66.02 66.01 2d91 s SER 72 CO 0.24 -0.86 0.34 -0.13 0.98 0.00 0.00 173.24 173.81 2d91 s ARG 73 N -4.14 2.38 -0.36 4.02 3.00 -0.33 -4.98 118.95 118.54 2d91 s ARG 73 Ca 0.38 -1.73 0.14 0.00 0.00 0.00 0.00 55.73 54.52 2d91 s ARG 73 Cb -0.01 -2.22 0.43 0.00 0.00 0.00 0.00 34.95 33.15 2d91 s ARG 73 CO 0.22 -0.29 0.93 -1.71 0.00 0.00 0.00 175.30 174.46 2d91 n ASN 74 N -1.54 1.97 -0.08 0.23 4.05 -1.16 -3.95 115.26 114.78 2d91 n ASN 74 Ca 0.01 -2.97 0.26 0.00 0.45 0.00 0.00 54.58 52.33 2d91 n ASN 74 Cb 0.63 -0.54 0.67 0.00 1.23 0.00 0.00 39.78 41.77 2d91 n ASN 74 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 2d91 h LEU 75 N 2.93 0.00 -1.28 1.20 3.38 -0.91 0.32 115.31 120.95 2d91 h LEU 75 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2d91 h LEU 75 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 2d91 h LEU 75 CO 0.57 0.00 -0.05 0.00 0.09 0.00 0.00 178.44 179.05 2d91 n ASN 77 N 0.53 -2.20 -3.69 0.00 3.02 0.11 -5.00 115.26 108.02 2d91 n ASN 77 Ca 0.16 -1.00 -0.13 0.00 -0.03 0.00 0.00 54.58 53.58 2d91 n ASN 77 Cb 0.45 -3.22 -0.07 0.00 -0.61 0.00 0.00 39.78 36.33 2d91 n ASN 77 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 2d91 s ILE 78 N -3.75 0.06 0.27 2.41 -4.36 -1.26 -5.08 121.20 109.49 2d91 s ILE 78 Ca 0.18 -0.49 -0.29 0.00 -0.26 0.00 0.00 60.65 59.78 2d91 s ILE 78 Cb -0.07 -0.90 -0.10 0.00 1.25 0.00 0.00 42.46 42.65 2d91 s ILE 78 CO 0.87 -0.27 1.30 -2.84 0.24 0.00 0.00 174.94 174.25 2d91 s PRO 79 N -2.26 4.39 0.48 0.37 0.02 -1.26 -2.13 135.00 134.61 2d91 s PRO 79 Ca -0.07 2.12 0.19 0.00 0.02 0.00 0.00 61.00 63.26 2d91 s PRO 79 Cb -0.01 -3.13 1.20 0.00 0.02 0.00 0.00 34.50 32.58 2d91 s PRO 79 CO -0.01 -0.19 2.01 0.00 -0.33 0.00 0.00 177.00 178.47 2d91 h SER 81 N 0.20 0.00 0.75 0.00 4.64 -1.89 -0.86 113.55 116.38 2d91 h SER 81 Ca 0.23 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.54 2d91 h SER 81 Cb 0.66 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.75 2d91 h SER 81 CO -0.04 0.00 -0.07 0.00 -0.87 0.00 0.00 176.83 175.85 2d91 h ALA 82 N 1.93 1.06 0.00 5.18 0.00 -1.26 -2.40 119.26 123.77 2d91 h ALA 82 Ca 0.01 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2d91 h ALA 82 Cb 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2d91 h ALA 82 CO -0.00 0.09 0.00 1.28 0.00 0.00 0.00 179.25 180.62 2d91 n LEU 83 N -3.26 0.00 -0.44 0.00 4.77 -0.33 -3.08 117.00 114.66 2d91 n LEU 83 Ca -0.00 0.08 0.10 0.00 -0.03 0.00 0.00 56.01 56.16 2d91 n LEU 83 Cb 0.29 -0.08 -0.01 0.00 -2.33 0.00 0.00 43.42 41.29 2d91 n LEU 83 CO 0.28 -0.00 0.28 0.18 -1.33 0.00 0.00 177.39 176.80 2d91 n LEU 84 N -1.08 1.88 -4.65 2.23 4.77 -0.90 -3.70 117.00 115.54 2d91 n LEU 84 Ca 0.21 -0.76 -0.33 0.00 -0.03 0.00 0.00 56.01 55.10 2d91 n LEU 84 Cb 0.15 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.36 2d91 n LEU 84 CO 0.19 0.35 0.63 -0.24 -1.33 0.00 0.00 177.39 177.00 2d91 n SER 85 N -0.09 0.53 0.19 -1.43 2.88 -1.18 -3.95 113.62 110.58 2d91 n SER 85 Ca 0.08 0.55 0.05 0.00 -1.33 0.00 0.00 58.87 58.23 2d91 n SER 85 Cb 0.42 -1.46 0.33 0.00 -0.75 0.00 0.00 64.21 62.76 2d91 n SER 85 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2d91 h SER 86 N -0.99 0.00 -3.54 -3.46 4.64 -1.94 -3.39 113.55 104.87 2d91 h SER 86 Ca -0.46 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.27 2d91 h SER 86 Cb 1.30 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.29 2d91 h SER 86 CO 0.44 0.39 0.64 -0.62 -0.87 0.00 0.00 176.83 176.81 2d91 s ASP 87 N -6.49 6.47 0.00 4.97 -1.08 -1.26 -4.89 116.67 114.39 2d91 s ASP 87 Ca -0.00 0.05 0.07 0.00 -0.52 0.00 0.00 52.55 52.14 2d91 s ASP 87 Cb 0.11 -2.46 0.41 0.00 -1.46 0.00 0.00 42.92 39.51 2d91 s ASP 87 CO 0.69 -1.14 0.95 2.30 0.52 0.00 0.00 175.17 178.50 2d91 n ILE 88 N 6.43 0.00 -0.01 4.11 -5.35 -1.26 -4.17 119.36 119.11 2d91 n ILE 88 Ca 0.06 0.00 -0.12 0.00 -0.27 0.00 0.00 62.75 62.42 2d91 n ILE 88 Cb 0.48 -0.36 -0.06 0.00 -1.74 0.00 0.00 39.64 37.97 2d91 n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 2d91 h THR 89 N 0.00 0.14 -0.88 7.28 2.02 -1.93 0.02 112.91 119.55 2d91 h THR 89 Ca 0.00 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.21 2d91 h THR 89 Cb 0.00 0.14 -0.05 0.00 -1.74 0.00 0.00 68.15 66.50 2d91 h THR 89 CO 0.00 0.00 0.57 0.00 0.37 0.00 0.00 175.52 176.46 2d91 h ALA 90 N 0.13 1.17 -0.25 6.16 0.00 -1.85 -0.00 119.26 124.61 2d91 h ALA 90 Ca 0.08 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2d91 h ALA 90 Cb 0.62 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2d91 h ALA 90 CO -0.41 0.42 0.07 0.77 0.00 0.00 0.00 179.25 180.10 2d91 h SER 91 N 1.11 0.37 -0.32 0.00 0.02 -1.73 -1.46 113.55 111.53 2d91 h SER 91 Ca 0.35 -0.21 0.01 0.00 -0.84 0.00 0.00 61.79 61.10 2d91 h SER 91 Cb 0.01 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.43 2d91 h SER 91 CO -0.12 0.49 0.20 0.58 -1.14 0.00 0.00 176.83 176.84 2d91 h VAL 92 N 0.23 1.06 -0.77 2.27 2.07 -0.59 0.61 116.25 121.14 2d91 h VAL 92 Ca 0.08 -0.14 -0.05 0.00 0.82 0.00 0.00 66.70 67.40 2d91 h VAL 92 Cb 0.25 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 2d91 h VAL 92 CO -0.00 0.08 0.27 0.78 0.02 0.00 0.00 177.57 178.72 2d91 h ASN 93 N 0.42 1.08 0.20 0.57 2.35 -0.91 -0.45 115.58 118.84 2d91 h ASN 93 Ca 0.12 -0.19 -0.18 0.00 -0.55 0.00 0.00 56.30 55.51 2d91 h ASN 93 Cb -0.03 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 38.06 2d91 h ASN 93 CO -0.04 0.98 -0.70 0.00 -1.65 0.00 0.00 177.43 176.02 2d91 h ALA 95 N 0.93 0.73 -0.61 0.00 0.00 -0.60 -1.15 119.26 118.55 2d91 h ALA 95 Ca -0.03 -0.21 0.13 0.00 0.00 0.00 0.00 54.91 54.81 2d91 h ALA 95 Cb 1.27 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 2d91 h ALA 95 CO 0.12 0.41 0.42 0.87 0.00 0.00 0.00 179.25 181.08 2d91 h LYS 96 N 0.78 0.27 0.00 0.00 1.57 -1.00 0.22 116.57 118.42 2d91 h LYS 96 Ca 0.18 -0.02 -0.24 0.00 -1.87 0.00 0.00 60.65 58.70 2d91 h LYS 96 Cb 0.31 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.52 2d91 h LYS 96 CO -0.00 0.18 -1.28 -0.22 -0.57 0.00 0.00 179.45 177.56 2d91 h LYS 97 N 0.28 0.00 0.01 3.15 3.64 -1.38 -3.26 116.57 119.02 2d91 h LYS 97 Ca 0.29 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.67 2d91 h LYS 97 Cb 0.77 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.59 2d91 h LYS 97 CO -0.07 0.78 -0.01 0.82 -2.27 0.00 0.00 179.45 178.71 2d91 h ILE 98 N 0.00 1.27 0.00 2.00 2.04 0.17 -2.76 117.51 120.23 2d91 h ILE 98 Ca -0.12 -0.86 0.00 0.00 1.00 0.00 0.00 64.86 64.88 2d91 h ILE 98 Cb 1.86 1.85 0.00 0.00 -0.74 0.00 0.00 36.82 39.79 2d91 h ILE 98 CO 0.11 0.22 0.00 0.55 0.00 0.00 0.00 178.15 179.03 2d91 n VAL 99 N -4.92 0.22 -0.23 1.67 3.14 0.59 -1.09 118.33 117.71 2d91 n VAL 99 Ca -0.08 0.06 0.05 0.00 -2.96 0.00 0.00 64.34 61.41 2d91 n VAL 99 Cb 0.20 -0.91 0.14 0.00 -1.06 0.00 0.00 33.84 32.21 2d91 n VAL 99 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 2d91 n SER 100 N -1.08 2.87 -0.11 6.55 7.64 -1.05 -4.11 113.62 124.33 2d91 n SER 100 Ca 0.06 -2.10 0.13 0.00 1.01 0.00 0.00 58.87 57.98 2d91 n SER 100 Cb 0.04 -0.23 0.71 0.00 -1.01 0.00 0.00 64.21 63.73 2d91 n SER 100 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2d91 n ASP 101 N 0.26 0.34 0.00 6.43 2.03 -0.25 -4.91 116.55 120.45 2d91 n ASP 101 Ca 0.11 -1.27 0.00 0.00 0.52 0.00 0.00 54.79 54.15 2d91 n ASP 101 Cb 0.44 -0.01 0.00 0.00 -0.72 0.00 0.00 41.12 40.83 2d91 n ASP 101 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2d91 n GLY 102 N 0.96 2.66 0.44 0.27 0.00 -1.26 -4.91 105.19 103.36 2d91 n GLY 102 Ca 0.19 -0.86 0.14 0.00 0.00 0.00 0.00 46.02 45.49 2d91 n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2d91 n ASN 103 N 0.21 1.38 0.00 1.61 3.02 -1.26 -5.04 115.26 115.18 2d91 n ASN 103 Ca 0.00 -1.49 0.00 0.00 -0.03 0.00 0.00 54.58 53.06 2d91 n ASN 103 Cb 0.00 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.15 2d91 n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2d91 n GLY 104 N 1.15 1.78 0.12 7.41 0.00 -1.26 -2.24 105.19 112.16 2d91 n GLY 104 Ca 0.19 -0.59 0.14 0.00 0.00 0.00 0.00 46.02 45.75 2d91 n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2d91 n MET 105 N 9.86 1.17 0.03 1.61 2.81 -1.26 -3.41 117.12 127.93 2d91 n MET 105 Ca 0.00 -0.25 0.06 0.00 -1.81 0.00 0.00 57.70 55.70 2d91 n MET 105 Cb 0.00 -1.45 0.26 0.00 -0.71 0.00 0.00 33.22 31.32 2d91 n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 2d91 n ASN 106 N -0.66 0.12 0.30 7.83 3.02 -0.95 -0.85 115.26 124.07 2d91 n ASN 106 Ca 0.20 0.54 0.19 0.00 -0.03 0.00 0.00 54.58 55.48 2d91 n ASN 106 Cb 0.16 -0.56 0.85 0.00 -0.61 0.00 0.00 39.78 39.61 2d91 n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2d91 h ALA 107 N 2.29 1.00 -2.28 5.41 0.00 -1.73 -3.34 119.26 120.61 2d91 h ALA 107 Ca 0.00 -0.00 -0.75 0.00 0.00 0.00 0.00 54.91 54.16 2d91 h ALA 107 Cb 0.17 -0.00 -0.26 0.00 0.00 0.00 0.00 17.79 17.70 2d91 h ALA 107 CO 0.00 0.00 -0.27 -1.58 0.00 0.00 0.00 179.25 177.41 2d91 s TRP 108 N -3.81 3.31 0.35 0.00 0.51 -0.03 -4.95 118.94 114.32 2d91 s TRP 108 Ca -0.01 -1.49 0.07 0.00 -2.12 0.00 0.00 56.10 52.55 2d91 s TRP 108 Cb 0.10 -3.71 0.75 0.00 -0.81 0.00 0.00 33.47 29.81 2d91 s TRP 108 CO 0.50 -1.01 1.90 0.28 -0.51 0.00 0.00 176.95 178.11 2d91 h VAL 109 N 5.94 0.92 -0.29 4.03 2.07 -1.82 -0.41 116.25 126.68 2d91 h VAL 109 Ca -0.26 -0.26 -0.04 0.00 0.82 0.00 0.00 66.70 66.95 2d91 h VAL 109 Cb 1.09 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 2d91 h VAL 109 CO 0.98 0.14 0.00 0.00 0.02 0.00 0.00 177.57 178.71 2d91 h ALA 110 N 1.59 1.46 -0.12 1.67 0.00 -1.93 -0.70 119.26 121.23 2d91 h ALA 110 Ca 0.41 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 2d91 h ALA 110 Cb 0.52 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 2d91 h ALA 110 CO -0.17 0.39 -0.05 2.35 0.00 0.00 0.00 179.25 181.76 2d91 h TRP 111 N 0.43 0.28 -0.48 0.00 7.01 -1.39 0.30 115.95 122.10 2d91 h TRP 111 Ca 0.10 -0.07 0.01 0.00 2.11 0.00 0.00 58.89 61.04 2d91 h TRP 111 Cb 0.28 -0.06 -0.03 0.00 -2.10 0.00 0.00 29.16 27.25 2d91 h TRP 111 CO 0.01 0.58 0.31 -0.09 -2.79 0.00 0.00 178.44 176.46 2d91 h ARG 112 N -0.11 0.61 0.00 2.65 2.43 -1.09 0.50 114.38 119.36 2d91 h ARG 112 Ca 0.03 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 2d91 h ARG 112 Cb 0.51 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.92 2d91 h ARG 112 CO 0.02 0.40 -0.38 -0.91 -1.51 0.00 0.00 179.97 177.59 2d91 h ASN 113 N 0.63 0.00 0.00 -3.80 2.35 -1.12 -3.37 115.58 110.28 2d91 h ASN 113 Ca 0.18 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 2d91 h ASN 113 Cb -0.05 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.32 2d91 h ASN 113 CO -0.05 0.05 -0.26 0.54 -1.65 0.00 0.00 177.43 176.06 2d91 n ARG 114 N -2.97 3.64 -0.01 0.81 1.74 0.10 -4.91 116.66 115.06 2d91 n ARG 114 Ca 0.02 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.09 2d91 n ARG 114 Cb 0.56 -0.53 -0.01 0.00 -1.02 0.00 0.00 32.46 31.46 2d91 n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2d91 n LYS 116 N -2.61 2.12 -0.68 0.00 4.81 0.14 -1.16 118.16 120.78 2d91 n LYS 116 Ca -0.04 0.77 0.00 0.00 -0.87 0.00 0.00 58.31 58.17 2d91 n LYS 116 Cb 0.54 -2.57 0.00 0.00 0.02 0.00 0.00 35.03 33.02 2d91 n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2d91 n GLY 117 N 3.89 0.78 3.93 3.14 0.00 -1.26 -4.93 105.19 110.74 2d91 n GLY 117 Ca 0.20 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.00 2d91 n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2d91 s THR 118 N -2.93 2.29 -1.22 2.61 -4.23 -0.31 -5.01 115.64 106.84 2d91 s THR 118 Ca 0.00 -1.28 -0.16 0.00 -1.18 0.00 0.00 61.69 59.07 2d91 s THR 118 Cb 0.00 -2.57 0.13 0.00 1.34 0.00 0.00 72.50 71.40 2d91 s THR 118 CO 0.00 0.00 1.52 -0.62 -0.54 0.00 0.00 174.62 174.98 2d91 s ASP 119 N -4.31 6.96 0.30 3.99 2.15 -1.26 -4.77 116.67 119.73 2d91 s ASP 119 Ca 0.48 -2.74 0.24 0.00 0.43 0.00 0.00 52.55 50.96 2d91 s ASP 119 Cb -0.04 -2.47 1.08 0.00 -0.30 0.00 0.00 42.92 41.19 2d91 s ASP 119 CO 0.29 -0.92 1.74 -0.37 -0.17 0.00 0.00 175.17 175.73 2d91 h VAL 120 N 5.07 0.00 -0.08 1.11 -1.51 -1.89 -2.74 116.25 116.20 2d91 h VAL 120 Ca 0.35 -0.20 -0.03 0.00 -1.23 0.00 0.00 66.70 65.59 2d91 h VAL 120 Cb 0.88 0.91 -0.01 0.00 -2.13 0.00 0.00 31.29 30.94 2d91 h VAL 120 CO 1.32 0.00 -0.08 -0.61 -1.23 0.00 0.00 177.57 176.96 2d91 h GLN 121 N 0.00 0.12 0.00 5.19 4.15 -1.87 -1.20 115.11 121.50 2d91 h GLN 121 Ca 0.00 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.40 2d91 h GLN 121 Cb 0.30 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.96 2d91 h GLN 121 CO 0.00 0.21 0.04 0.00 -1.93 0.00 0.00 178.83 177.15 2d91 h ALA 122 N 1.80 1.03 0.00 3.38 0.00 -1.88 -0.07 119.26 123.52 2d91 h ALA 122 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2d91 h ALA 122 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2d91 h ALA 122 CO 0.01 -0.03 0.00 0.91 0.00 0.00 0.00 179.25 180.14 2d91 n TRP 123 N -2.70 0.00 -0.24 0.00 7.02 -0.45 -3.37 117.44 117.70 2d91 n TRP 123 Ca -0.02 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.46 2d91 n TRP 123 Cb 0.09 -0.48 0.00 0.00 -2.42 0.00 0.00 31.31 28.50 2d91 n TRP 123 CO 0.00 0.00 0.00 0.44 -2.02 0.00 0.00 177.69 176.11 2d91 n ILE 124 N -1.48 0.84 -2.79 -0.99 -5.35 -0.05 -4.80 119.36 104.74 2d91 n ILE 124 Ca 0.06 -0.86 -0.41 0.00 -0.27 0.00 0.00 62.75 61.28 2d91 n ILE 124 Cb 0.27 0.56 -0.04 0.00 -1.74 0.00 0.00 39.64 38.70 2d91 n ILE 124 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 2d91 s ARG 125 N -0.88 4.60 0.00 6.28 0.52 -1.19 -3.13 118.95 125.15 2d91 s ARG 125 Ca 0.01 1.32 0.00 0.00 -0.52 0.00 0.00 55.73 56.55 2d91 s ARG 125 Cb 0.01 -3.41 0.00 0.00 0.52 0.00 0.00 34.95 32.07 2d91 s ARG 125 CO 0.00 0.13 0.00 0.41 0.02 0.00 0.00 175.30 175.86 2d91 n GLY 126 N 2.56 0.64 3.93 -3.53 0.00 -1.26 -5.06 105.19 102.48 2d91 n GLY 126 Ca 0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 2d91 n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2d91 s ARG 128 N -4.48 3.95 0.00 0.00 6.06 -1.26 -5.15 118.95 118.07 2d91 s ARG 128 Ca 0.43 -2.22 0.00 0.00 -2.50 0.00 0.00 55.73 51.44 2d91 s ARG 128 Cb -0.10 -5.14 0.00 0.00 0.06 0.00 0.00 34.95 29.77 2d91 s ARG 128 CO 0.39 -1.89 0.39 1.28 -2.50 0.00 0.00 175.30 172.97