#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r73 s LYS 2 N 0.00 3.77 0.00 0.03 2.20 -1.26 -5.04 119.74 119.44 1r73 s LYS 2 Ca 0.00 0.31 0.00 0.00 -0.36 0.00 0.00 55.97 55.92 1r73 s LYS 2 Cb 0.00 -2.54 0.00 0.00 -1.51 0.00 0.00 37.83 33.78 1r73 s LYS 2 CO 0.00 0.16 0.00 0.00 -0.36 0.00 0.00 175.35 175.15 1r73 n ALA 3 N -0.77 2.47 0.00 3.13 0.00 -1.26 -4.99 120.51 119.09 1r73 n ALA 3 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1r73 n ALA 3 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 1r73 n ALA 3 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1r73 n SER 4 N -1.70 0.00 -0.03 0.00 7.64 -1.26 -4.44 113.62 113.83 1r73 n SER 4 Ca 0.00 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.73 1r73 n SER 4 Cb 0.00 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.10 1r73 n SER 4 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 1r73 h GLU 5 N 0.00 0.26 -0.00 1.43 4.11 -1.98 -0.17 114.58 118.23 1r73 h GLU 5 Ca 0.00 -0.22 0.00 0.00 0.07 0.00 0.00 59.36 59.21 1r73 h GLU 5 Cb 0.00 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1r73 h GLU 5 CO 0.00 0.89 -0.06 1.28 0.07 0.00 0.00 179.01 181.19 1r73 n LEU 6 N -4.48 0.06 -0.53 3.06 4.77 -1.26 -1.06 117.00 117.55 1r73 n LEU 6 Ca -0.09 0.44 0.12 0.00 -0.03 0.00 0.00 56.01 56.45 1r73 n LEU 6 Cb 0.49 -0.47 0.12 0.00 -2.33 0.00 0.00 43.42 41.23 1r73 n LEU 6 CO 0.40 0.01 0.47 -1.14 -1.33 0.00 0.00 177.39 175.81 1r73 n ARG 7 N -1.50 1.37 0.09 3.23 0.00 -1.13 -4.51 116.66 114.21 1r73 n ARG 7 Ca 0.07 -1.07 -0.20 0.00 -0.00 0.00 0.00 57.85 56.65 1r73 n ARG 7 Cb 0.34 -1.48 -0.15 0.00 0.00 0.00 0.00 32.46 31.17 1r73 n ARG 7 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.63 176.66 1r73 h ASN 8 N 2.61 0.57 -3.99 6.15 -0.73 0.65 -3.47 115.58 117.36 1r73 h ASN 8 Ca 0.00 -0.73 -0.45 0.00 1.87 0.00 0.00 56.30 56.99 1r73 h ASN 8 Cb 0.74 -0.18 0.15 0.00 0.27 0.00 0.00 38.32 39.29 1r73 h ASN 8 CO 0.00 1.60 0.25 -0.31 -0.37 0.00 0.00 177.43 178.60 1r73 s TYR 9 N -2.61 1.96 0.36 0.67 2.02 -1.19 -5.04 117.35 113.52 1r73 s TYR 9 Ca -0.10 0.77 -0.15 0.00 -0.37 0.00 0.00 57.07 57.21 1r73 s TYR 9 Cb 0.06 -3.44 -0.09 0.00 -0.40 0.00 0.00 41.96 38.09 1r73 s TYR 9 CO 0.88 -2.81 0.79 0.95 -1.57 0.00 0.00 175.55 173.79 1r73 s THR 10 N -3.21 4.64 0.37 -0.71 -4.23 -1.26 -4.83 115.64 106.41 1r73 s THR 10 Ca 0.66 1.01 0.24 0.00 -1.18 0.00 0.00 61.69 62.42 1r73 s THR 10 Cb -0.14 -3.63 0.38 0.00 1.34 0.00 0.00 72.50 70.45 1r73 s THR 10 CO 0.55 -0.28 1.45 0.47 -0.54 0.00 0.00 174.62 176.26 1r73 n ASP 11 N -0.61 0.27 -0.19 3.99 9.92 -1.26 -0.18 116.55 128.48 1r73 n ASP 11 Ca 0.04 1.42 -0.09 0.00 -0.53 0.00 0.00 54.79 55.63 1r73 n ASP 11 Cb 0.53 -0.69 0.01 0.00 -0.64 0.00 0.00 41.12 40.33 1r73 n ASP 11 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 1r73 h GLU 12 N 0.00 0.95 0.17 -1.24 4.57 -2.00 -0.23 114.58 116.80 1r73 h GLU 12 Ca 0.79 -0.29 -0.31 0.00 -1.18 0.00 0.00 59.36 58.37 1r73 h GLU 12 Cb 2.30 -0.09 0.03 0.00 -0.16 0.00 0.00 28.75 30.83 1r73 h GLU 12 CO -0.59 0.94 -1.34 0.93 -1.18 0.00 0.00 179.01 177.78 1r73 h GLU 13 N 0.83 0.57 0.14 1.92 4.39 -0.94 -3.27 114.58 118.22 1r73 h GLU 13 Ca 0.16 -0.85 -0.00 0.00 0.34 0.00 0.00 59.36 59.01 1r73 h GLU 13 Cb 0.50 0.30 -0.01 0.00 -0.10 0.00 0.00 28.75 29.43 1r73 h GLU 13 CO 0.02 1.39 -0.18 -0.07 -1.16 0.00 0.00 179.01 179.02 1r73 h LEU 14 N 0.22 -0.50 -0.77 1.33 -0.00 -0.57 -2.69 115.31 112.32 1r73 h LEU 14 Ca -0.21 0.04 0.18 0.00 -0.00 0.00 0.00 57.88 57.89 1r73 h LEU 14 Cb 2.02 0.17 -0.12 0.00 -0.00 0.00 0.00 40.66 42.73 1r73 h LEU 14 CO 0.25 -0.22 0.16 0.07 -0.00 0.00 0.00 178.44 178.70 1r73 h LYS 15 N -0.32 0.21 0.00 1.13 5.09 -1.19 0.18 116.57 121.67 1r73 h LYS 15 Ca -0.02 -0.01 0.00 0.00 0.09 0.00 0.00 60.65 60.71 1r73 h LYS 15 Cb 0.29 -0.05 0.00 0.00 0.10 0.00 0.00 32.23 32.57 1r73 h LYS 15 CO -0.04 0.14 0.00 -1.71 -2.09 0.00 0.00 179.45 175.75 1r73 n ASN 16 N -5.21 0.68 -0.13 7.07 5.15 -1.15 -0.13 115.26 121.54 1r73 n ASN 16 Ca 0.16 0.69 -0.22 0.00 -0.60 0.00 0.00 54.58 54.60 1r73 n ASN 16 Cb 0.52 -0.82 -0.11 0.00 -0.53 0.00 0.00 39.78 38.84 1r73 n ASN 16 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1r73 n LEU 17 N -2.27 2.45 0.09 1.20 4.32 0.32 -4.17 117.00 118.93 1r73 n LEU 17 Ca 0.01 0.08 -0.09 0.00 -0.02 0.00 0.00 56.01 56.00 1r73 n LEU 17 Cb 0.20 -0.82 -0.03 0.00 -1.62 0.00 0.00 43.42 41.15 1r73 n LEU 17 CO 0.18 0.74 0.22 -0.07 -1.22 0.00 0.00 177.39 177.25 1r73 h LEU 18 N -0.45 0.24 -1.33 2.23 3.38 -0.47 -1.78 115.31 117.13 1r73 h LEU 18 Ca -0.61 -0.20 0.06 0.00 0.09 0.00 0.00 57.88 57.22 1r73 h LEU 18 Cb 1.73 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 42.36 1r73 h LEU 18 CO -0.24 1.03 0.50 1.05 0.09 0.00 0.00 178.44 180.87 1r73 h GLU 19 N 0.09 0.79 0.08 1.13 4.11 -0.73 -0.54 114.58 119.51 1r73 h GLU 19 Ca -0.05 -0.05 -0.00 0.00 0.07 0.00 0.00 59.36 59.33 1r73 h GLU 19 Cb 1.56 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.64 1r73 h GLU 19 CO 0.14 0.52 -0.04 1.49 0.07 0.00 0.00 179.01 181.19 1r73 h GLU 20 N 0.81 -0.10 0.63 1.06 4.81 -1.49 -0.22 114.58 120.08 1r73 h GLU 20 Ca 0.33 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.54 1r73 h GLU 20 Cb 0.25 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.65 1r73 h GLU 20 CO -0.11 0.13 -0.34 0.87 -0.73 0.00 0.00 179.01 178.83 1r73 h LYS 21 N -0.33 -0.87 -0.74 1.92 1.79 -1.35 0.16 116.57 117.15 1r73 h LYS 21 Ca -0.01 0.06 0.17 0.00 -2.18 0.00 0.00 60.65 58.68 1r73 h LYS 21 Cb 0.28 0.20 -0.13 0.00 -1.58 0.00 0.00 32.23 31.01 1r73 h LYS 21 CO 0.02 -0.58 0.02 -0.22 -1.08 0.00 0.00 179.45 177.61 1r73 h LYS 22 N -0.90 0.11 0.24 3.15 3.64 -1.04 -1.31 116.57 120.46 1r73 h LYS 22 Ca -0.08 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.28 1r73 h LYS 22 Cb 0.71 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 1r73 h LYS 22 CO 0.11 0.07 -0.11 0.07 -2.27 0.00 0.00 179.45 177.33 1r73 h ARG 23 N 0.12 -0.31 -0.92 1.90 0.11 -0.83 -3.27 114.38 111.18 1r73 h ARG 23 Ca 0.40 0.02 0.18 0.00 0.10 0.00 0.00 59.98 60.68 1r73 h ARG 23 Cb 0.70 0.07 -0.10 0.00 1.11 0.00 0.00 29.97 31.75 1r73 h ARG 23 CO -0.64 -0.00 0.50 1.96 0.10 0.00 0.00 179.97 181.89 1r73 h GLN 24 N -0.62 0.62 -0.14 0.08 4.20 0.36 0.32 115.11 119.92 1r73 h GLN 24 Ca -0.03 -0.04 0.05 0.00 0.06 0.00 0.00 58.65 58.69 1r73 h GLN 24 Cb 0.45 -0.14 -0.05 0.00 0.30 0.00 0.00 27.48 28.03 1r73 h GLN 24 CO 0.05 0.41 -0.20 1.25 -0.67 0.00 0.00 178.83 179.67 1r73 h LEU 25 N 0.63 -0.61 -1.78 1.46 5.85 -1.35 0.26 115.31 119.78 1r73 h LEU 25 Ca 0.53 0.11 -0.03 0.00 0.84 0.00 0.00 57.88 59.32 1r73 h LEU 25 Cb 0.83 0.28 -0.00 0.00 0.37 0.00 0.00 40.66 42.13 1r73 h LEU 25 CO -0.40 -0.25 -0.14 0.24 -0.34 0.00 0.00 178.44 177.55 1r73 h MET 26 N -0.25 0.00 0.09 1.25 2.86 -0.55 -2.53 114.93 115.80 1r73 h MET 26 Ca 0.10 0.00 -0.37 0.00 -2.06 0.00 0.00 59.70 57.37 1r73 h MET 26 Cb 0.40 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.02 1r73 h MET 26 CO -0.28 0.14 -2.13 0.39 1.06 0.00 0.00 176.91 176.09 1r73 n GLU 27 N -3.62 0.72 -0.21 1.72 -0.58 0.32 -3.26 120.64 115.73 1r73 n GLU 27 Ca -0.02 0.24 -0.05 0.00 -0.42 0.00 0.00 57.16 56.91 1r73 n GLU 27 Cb 0.27 -1.65 0.12 0.00 -0.57 0.00 0.00 31.44 29.61 1r73 n GLU 27 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1r73 h LEU 28 N 0.02 0.95 -1.93 -4.62 3.38 -0.57 -0.47 115.31 112.08 1r73 h LEU 28 Ca -0.47 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.31 1r73 h LEU 28 Cb 1.98 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 42.47 1r73 h LEU 28 CO 0.02 0.89 -0.10 0.08 0.09 0.00 0.00 178.44 179.42 1r73 h ARG 29 N 0.99 0.00 -0.09 1.13 0.11 -1.57 0.06 114.38 115.00 1r73 h ARG 29 Ca 0.22 0.00 -0.21 0.00 0.10 0.00 0.00 59.98 60.10 1r73 h ARG 29 Cb 0.27 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.35 1r73 h ARG 29 CO -0.01 0.10 -0.78 0.35 0.10 0.00 0.00 179.97 179.73 1r73 h PHE 30 N 0.00 0.76 0.00 4.08 3.04 -1.10 -1.02 116.94 122.70 1r73 h PHE 30 Ca -0.00 -0.34 -0.21 0.00 3.98 0.00 0.00 57.97 61.39 1r73 h PHE 30 Cb 0.34 -0.11 -0.00 0.00 2.56 0.00 0.00 35.95 38.74 1r73 h PHE 30 CO 0.00 1.14 -0.91 1.96 -2.02 0.00 0.00 178.31 178.48 1r73 h GLN 31 N 0.37 0.30 -0.11 1.11 4.20 -0.50 -1.01 115.11 119.47 1r73 h GLN 31 Ca -0.05 -0.32 -0.00 0.00 0.06 0.00 0.00 58.65 58.34 1r73 h GLN 31 Cb 1.38 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 29.25 1r73 h GLN 31 CO 0.14 1.03 0.06 1.25 -0.67 0.00 0.00 178.83 180.64 1r73 h LEU 32 N 0.17 0.14 -1.50 1.46 7.12 -1.08 0.28 115.31 121.91 1r73 h LEU 32 Ca -0.06 -0.10 0.07 0.00 0.13 0.00 0.00 57.88 57.92 1r73 h LEU 32 Cb 1.54 -0.04 -0.04 0.00 -0.53 0.00 0.00 40.66 41.60 1r73 h LEU 32 CO 0.15 0.21 0.43 0.00 -0.13 0.00 0.00 178.44 179.09 1r73 h ALA 33 N 0.94 1.82 0.00 1.25 0.00 -1.06 -0.52 119.26 121.69 1r73 h ALA 33 Ca 0.04 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1r73 h ALA 33 Cb 0.10 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1r73 h ALA 33 CO -0.01 0.07 -0.44 0.52 0.00 0.00 0.00 179.25 179.39 1r73 h MET 34 N 0.60 0.00 0.00 0.00 2.86 -0.71 -3.48 114.93 114.20 1r73 h MET 34 Ca 0.28 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.92 1r73 h MET 34 Cb 0.33 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.99 1r73 h MET 34 CO -0.09 0.44 0.00 0.41 1.06 0.00 0.00 176.91 178.74 1r73 n GLY 35 N 0.48 1.44 0.03 8.32 0.00 0.10 -5.04 105.19 110.54 1r73 n GLY 35 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 1r73 n GLY 35 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1r73 n GLN 36 N -1.06 2.25 -1.52 1.61 6.02 0.77 -4.83 117.38 120.61 1r73 n GLN 36 Ca 0.00 -0.02 -0.13 0.00 -0.01 0.00 0.00 57.00 56.84 1r73 n GLN 36 Cb 0.00 -1.21 -0.10 0.00 1.02 0.00 0.00 30.24 29.95 1r73 n GLN 36 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 1r73 n LEU 37 N -2.23 1.06 -0.15 1.08 -0.00 -1.22 -4.80 117.00 110.74 1r73 n LEU 37 Ca -0.12 -1.85 0.15 0.00 -0.00 0.00 0.00 56.01 54.20 1r73 n LEU 37 Cb 0.68 -1.53 0.68 0.00 -0.00 0.00 0.00 43.42 43.26 1r73 n LEU 37 CO 0.18 -2.93 0.94 1.17 -0.00 0.00 0.00 177.39 176.74 1r73 n LYS 38 N 7.94 0.94 -3.81 1.96 4.81 -1.26 -4.16 118.16 124.58 1r73 n LYS 38 Ca 0.42 -0.31 -0.30 0.00 -0.87 0.00 0.00 58.31 57.26 1r73 n LYS 38 Cb 0.43 -1.49 -0.14 0.00 0.02 0.00 0.00 35.03 33.84 1r73 n LYS 38 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 1r73 s ASN 39 N -2.27 4.13 0.64 3.14 2.47 -1.26 -5.00 114.94 116.79 1r73 s ASN 39 Ca 0.35 -2.13 0.41 0.00 0.42 0.00 0.00 52.86 51.92 1r73 s ASN 39 Cb 0.21 -1.15 2.18 0.00 -1.45 0.00 0.00 41.25 41.04 1r73 s ASN 39 CO 0.42 -0.35 2.29 0.71 -3.72 0.00 0.00 177.10 176.45 1r73 h THR 40 N 6.12 0.07 0.00 -5.21 1.35 -2.01 0.59 112.91 113.82 1r73 h THR 40 Ca -0.08 -0.11 -0.03 0.00 -0.55 0.00 0.00 66.41 65.65 1r73 h THR 40 Cb 0.98 1.10 -0.00 0.00 -1.73 0.00 0.00 68.15 68.50 1r73 h THR 40 CO 0.50 0.01 -0.13 0.28 -0.25 0.00 0.00 175.52 175.93 1r73 h SER 41 N 0.00 0.00 -0.28 5.36 0.02 -1.96 -2.72 113.55 113.97 1r73 h SER 41 Ca -0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1r73 h SER 41 Cb 0.10 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 1r73 h SER 41 CO 0.00 0.13 0.13 0.25 -1.14 0.00 0.00 176.83 176.20 1r73 h LEU 42 N 0.00 0.37 -0.05 5.07 6.46 -1.30 0.81 115.31 126.67 1r73 h LEU 42 Ca -0.00 -0.13 0.03 0.00 -0.12 0.00 0.00 57.88 57.66 1r73 h LEU 42 Cb 0.24 -0.10 -0.04 0.00 -0.73 0.00 0.00 40.66 40.03 1r73 h LEU 42 CO 0.02 0.40 -0.18 0.40 -0.62 0.00 0.00 178.44 178.45 1r73 h ILE 43 N 0.32 0.55 -0.95 4.05 1.08 -1.62 -0.23 117.51 120.72 1r73 h ILE 43 Ca 0.10 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.67 1r73 h ILE 43 Cb 0.13 0.55 -0.08 0.00 -3.07 0.00 0.00 36.82 34.35 1r73 h ILE 43 CO -0.01 0.00 0.59 0.50 -0.69 0.00 0.00 178.15 178.54 1r73 h LYS 44 N -0.27 0.93 -0.10 2.37 3.11 -1.10 0.92 116.57 122.43 1r73 h LYS 44 Ca 0.07 -0.06 -0.13 0.00 -2.81 0.00 0.00 60.65 57.72 1r73 h LYS 44 Cb 0.37 -0.21 -0.01 0.00 -1.00 0.00 0.00 32.23 31.38 1r73 h LYS 44 CO -0.21 0.61 -0.52 -0.07 -2.81 0.00 0.00 179.45 176.45 1r73 h LEU 45 N 0.96 0.29 -0.02 5.20 3.38 -0.53 -2.97 115.31 121.61 1r73 h LEU 45 Ca 0.46 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.27 1r73 h LEU 45 Cb 0.42 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1r73 h LEU 45 CO -0.25 0.76 -0.06 0.74 0.09 0.00 0.00 178.44 179.73 1r73 h THR 46 N 0.21 1.48 -0.29 0.22 2.02 0.96 -3.09 112.91 114.42 1r73 h THR 46 Ca 0.01 -1.49 0.08 0.00 0.77 0.00 0.00 66.41 65.78 1r73 h THR 46 Cb 0.99 2.43 -0.01 0.00 -1.74 0.00 0.00 68.15 69.82 1r73 h THR 46 CO 0.08 0.40 0.22 0.07 0.37 0.00 0.00 175.52 176.66 1r73 h LYS 47 N -0.52 0.00 -0.63 6.66 -0.00 -1.11 0.39 116.57 121.36 1r73 h LYS 47 Ca -0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 60.65 60.56 1r73 h LYS 47 Cb 0.68 0.00 -0.02 0.00 -0.00 0.00 0.00 32.23 32.88 1r73 h LYS 47 CO 0.01 0.00 0.05 0.07 -0.00 0.00 0.00 179.45 179.58 1r73 h ARG 48 N 0.00 1.06 0.04 0.07 0.11 -1.44 -2.06 114.38 112.17 1r73 h ARG 48 Ca 0.14 -0.31 -0.32 0.00 0.10 0.00 0.00 59.98 59.59 1r73 h ARG 48 Cb 0.58 -0.11 -0.04 0.00 1.11 0.00 0.00 29.97 31.51 1r73 h ARG 48 CO -0.00 1.01 -1.81 -0.25 0.10 0.00 0.00 179.97 179.01 1r73 n ASP 49 N -4.20 1.31 0.08 0.08 9.92 -0.56 -3.07 116.55 120.11 1r73 n ASP 49 Ca 0.04 0.34 -0.12 0.00 -0.53 0.00 0.00 54.79 54.52 1r73 n ASP 49 Cb 0.32 -0.34 -0.05 0.00 -0.64 0.00 0.00 41.12 40.41 1r73 n ASP 49 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 1r73 h ILE 50 N 0.03 0.45 0.00 0.53 5.03 -0.28 0.28 117.51 123.54 1r73 h ILE 50 Ca -0.34 0.00 -0.04 0.00 -0.12 0.00 0.00 64.86 64.37 1r73 h ILE 50 Cb 2.02 0.45 -0.01 0.00 -3.03 0.00 0.00 36.82 36.25 1r73 h ILE 50 CO 0.08 0.00 -0.19 0.00 -0.68 0.00 0.00 178.15 177.36 1r73 h ALA 51 N 0.40 1.20 0.38 1.87 0.00 -1.43 0.45 119.26 122.13 1r73 h ALA 51 Ca 0.05 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1r73 h ALA 51 Cb 0.47 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1r73 h ALA 51 CO -0.19 0.23 -0.18 -0.09 0.00 0.00 0.00 179.25 179.02 1r73 h ARG 52 N 0.00 -0.49 0.59 0.00 1.12 -1.36 -3.07 114.38 111.18 1r73 h ARG 52 Ca -0.00 0.03 -0.02 0.00 -1.11 0.00 0.00 59.98 58.88 1r73 h ARG 52 Cb 0.52 0.11 -0.01 0.00 -0.01 0.00 0.00 29.97 30.58 1r73 h ARG 52 CO 0.02 -0.25 -0.43 0.82 -3.11 0.00 0.00 179.97 177.02 1r73 h ILE 53 N -1.08 0.13 -0.22 1.20 2.04 -0.08 -2.28 117.51 117.21 1r73 h ILE 53 Ca -0.05 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.85 1r73 h ILE 53 Cb 0.46 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 1r73 h ILE 53 CO 0.09 0.00 0.16 0.07 0.00 0.00 0.00 178.15 178.46 1r73 h LYS 54 N -0.99 0.12 -0.27 2.37 5.09 -0.28 0.15 116.57 122.76 1r73 h LYS 54 Ca -0.07 -0.01 -0.10 0.00 0.09 0.00 0.00 60.65 60.56 1r73 h LYS 54 Cb 0.83 -0.03 -0.01 0.00 0.10 0.00 0.00 32.23 33.12 1r73 h LYS 54 CO 0.03 0.08 -0.25 1.15 -2.09 0.00 0.00 179.45 178.36 1r73 h THR 55 N 0.12 1.27 -0.32 0.07 2.02 -1.38 -2.91 112.91 111.78 1r73 h THR 55 Ca 0.10 -1.29 0.06 0.00 0.77 0.00 0.00 66.41 66.05 1r73 h THR 55 Cb 0.24 1.34 -0.06 0.00 -1.74 0.00 0.00 68.15 67.94 1r73 h THR 55 CO -0.01 0.41 -0.04 0.40 0.37 0.00 0.00 175.52 176.65 1r73 h ILE 56 N 0.45 0.72 -0.07 3.11 1.08 -0.12 0.26 117.51 122.95 1r73 h ILE 56 Ca 0.07 -0.02 0.04 0.00 -0.39 0.00 0.00 64.86 64.56 1r73 h ILE 56 Cb 0.69 0.67 -0.06 0.00 -3.07 0.00 0.00 36.82 35.05 1r73 h ILE 56 CO 0.05 0.01 -0.37 0.25 -0.69 0.00 0.00 178.15 177.40 1r73 h LEU 57 N 0.05 -1.14 -0.52 1.44 5.85 -1.49 0.98 115.31 120.47 1r73 h LEU 57 Ca 0.15 0.15 0.09 0.00 0.84 0.00 0.00 57.88 59.12 1r73 h LEU 57 Cb 0.22 0.46 -0.07 0.00 0.37 0.00 0.00 40.66 41.64 1r73 h LEU 57 CO -0.29 -0.41 0.10 -0.09 -0.34 0.00 0.00 178.44 177.41 1r73 h ARG 58 N -0.49 0.23 -0.86 1.25 1.12 -1.21 0.79 114.38 115.23 1r73 h ARG 58 Ca 0.07 -0.01 0.01 0.00 -1.11 0.00 0.00 59.98 58.94 1r73 h ARG 58 Cb 0.60 -0.05 -0.04 0.00 -0.01 0.00 0.00 29.97 30.46 1r73 h ARG 58 CO -0.33 0.15 0.57 0.93 -3.11 0.00 0.00 179.97 178.18 1r73 h GLU 59 N 0.24 1.11 -0.23 0.20 5.08 0.38 -2.10 114.58 119.26 1r73 h GLU 59 Ca 0.26 -0.07 -0.12 0.00 -1.00 0.00 0.00 59.36 58.43 1r73 h GLU 59 Cb 0.36 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1r73 h GLU 59 CO -0.34 0.73 -0.37 0.00 -1.00 0.00 0.00 179.01 178.03 1r73 h ARG 60 N 1.14 0.51 -0.67 2.33 3.08 0.86 0.25 114.38 121.88 1r73 h ARG 60 Ca 0.32 -0.24 0.03 0.00 0.07 0.00 0.00 59.98 60.16 1r73 h ARG 60 Cb -0.10 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 29.90 1r73 h ARG 60 CO -0.08 0.81 0.42 0.93 -1.07 0.00 0.00 179.97 180.98 1r73 h GLU 61 N 0.43 0.78 0.00 0.04 5.08 -0.21 -1.59 114.58 119.12 1r73 h GLU 61 Ca 0.04 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1r73 h GLU 61 Cb 0.85 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.92 1r73 h GLU 61 CO 0.07 0.52 -0.65 1.28 -1.00 0.00 0.00 179.01 179.23 1r73 n LEU 62 N -4.69 0.59 -1.22 1.33 7.99 -1.18 -4.97 117.00 114.85 1r73 n LEU 62 Ca 0.07 -0.00 -0.04 0.00 -0.01 0.00 0.00 56.01 56.03 1r73 n LEU 62 Cb 0.09 -0.19 0.02 0.00 -0.11 0.00 0.00 43.42 43.23 1r73 n LEU 62 CO 0.33 0.09 0.04 0.61 -1.51 0.00 0.00 177.39 176.94 1r73 n GLY 63 N 1.45 0.53 0.07 -0.72 0.00 -0.60 -4.96 105.19 100.95 1r73 n GLY 63 Ca 0.04 -0.45 -0.08 0.00 0.00 0.00 0.00 46.02 45.53 1r73 n GLY 63 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1r73 h ILE 64 N -0.44 1.64 -0.42 -0.61 1.08 -0.78 -3.31 117.51 114.67 1r73 h ILE 64 Ca -0.11 -3.34 -0.17 0.00 -0.39 0.00 0.00 64.86 60.86 1r73 h ILE 64 Cb 1.07 2.83 -0.10 0.00 -3.07 0.00 0.00 36.82 37.55 1r73 h ILE 64 CO 0.10 0.94 0.05 0.54 -0.69 0.00 0.00 178.15 179.09 1r73 n ARG 65 N -3.35 2.33 -0.07 2.37 5.12 -0.98 -4.99 116.66 117.09 1r73 n ARG 65 Ca -0.02 -3.06 0.00 0.00 -1.93 0.00 0.00 57.85 52.84 1r73 n ARG 65 Cb 0.96 -1.89 0.00 0.00 -1.16 0.00 0.00 32.46 30.36 1r73 n ARG 65 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57