#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r4p s ASP 2 N 0.00 6.36 0.06 0.00 1.01 -1.26 -1.71 116.67 121.13 1r4p s ASP 2 Ca 0.00 -0.29 -0.08 0.00 0.71 0.00 0.00 52.55 52.90 1r4p s ASP 2 Cb 0.00 -2.42 -0.30 0.00 1.01 0.00 0.00 42.92 41.20 1r4p s ASP 2 CO 0.00 -1.15 1.08 0.00 0.21 0.00 0.00 175.17 175.31 1r4p s ALA 4 N -2.64 -1.81 -0.03 0.00 0.00 -1.19 -4.98 121.76 111.11 1r4p s ALA 4 Ca -0.06 1.99 0.01 0.00 0.00 0.00 0.00 51.96 53.91 1r4p s ALA 4 Cb 0.06 -1.19 0.01 0.00 0.00 0.00 0.00 23.12 22.00 1r4p s ALA 4 CO 0.90 -0.33 -0.05 0.21 0.00 0.00 0.00 175.76 176.49 1r4p s LYS 5 N 0.32 0.74 0.00 0.00 2.20 -1.26 -0.09 119.74 121.65 1r4p s LYS 5 Ca 0.00 -0.15 0.00 0.00 -0.36 0.00 0.00 55.97 55.46 1r4p s LYS 5 Cb -0.05 -0.74 0.00 0.00 -1.51 0.00 0.00 37.83 35.54 1r4p s LYS 5 CO 0.00 -0.01 0.00 0.41 -0.36 0.00 0.00 175.35 175.40 1r4p n GLY 6 N 3.68 -0.99 3.87 5.54 0.00 -0.44 -4.52 105.19 112.32 1r4p n GLY 6 Ca -0.22 -1.41 -0.30 0.00 0.00 0.00 0.00 46.02 44.09 1r4p n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r4p s LYS 7 N -1.96 3.78 -0.14 1.61 1.02 -1.26 -0.73 119.74 122.06 1r4p s LYS 7 Ca 0.00 0.56 -0.29 0.00 0.02 0.00 0.00 55.97 56.25 1r4p s LYS 7 Cb 0.00 -2.32 -0.02 0.00 -0.52 0.00 0.00 37.83 34.97 1r4p s LYS 7 CO 0.00 -0.13 1.22 0.42 -0.92 0.00 0.00 175.35 175.94 1r4p s ILE 8 N -2.50 4.33 0.04 2.17 1.01 -1.26 -4.22 121.20 120.76 1r4p s ILE 8 Ca 0.53 1.62 -0.07 0.00 0.00 0.00 0.00 60.65 62.72 1r4p s ILE 8 Cb -0.10 -4.04 -0.30 0.00 0.01 0.00 0.00 42.46 38.03 1r4p s ILE 8 CO 0.34 -0.10 1.01 -0.33 0.00 0.00 0.00 174.94 175.86 1r4p h GLU 9 N 7.89 0.33 -3.02 2.79 5.08 -0.47 -3.47 114.58 123.71 1r4p h GLU 9 Ca -0.28 -0.57 -0.01 0.00 -1.00 0.00 0.00 59.36 57.50 1r4p h GLU 9 Cb 1.12 0.21 -0.11 0.00 0.50 0.00 0.00 28.75 30.47 1r4p h GLU 9 CO 0.94 1.25 0.20 -0.59 -1.00 0.00 0.00 179.01 179.81 1r4p s PHE 10 N -2.63 -0.48 0.19 4.33 -0.12 -1.25 -4.98 117.98 113.04 1r4p s PHE 10 Ca -0.07 0.24 0.05 0.00 -0.05 0.00 0.00 56.93 57.10 1r4p s PHE 10 Cb 0.06 0.56 -0.05 0.00 -0.63 0.00 0.00 43.02 42.97 1r4p s PHE 10 CO 0.89 -0.89 -0.08 -1.54 -0.05 0.00 0.00 175.22 173.55 1r4p s SER 11 N -2.77 2.08 -0.22 1.98 1.04 -1.26 -1.60 113.70 112.95 1r4p s SER 11 Ca 0.02 -1.08 -0.12 0.00 0.48 0.00 0.00 55.95 55.25 1r4p s SER 11 Cb -0.01 -0.05 0.07 0.00 0.10 0.00 0.00 66.02 66.12 1r4p s SER 11 CO -0.11 -0.34 0.53 -0.75 0.98 0.00 0.00 173.24 173.56 1r4p s LYS 12 N -3.75 0.53 -0.03 4.02 2.20 0.15 -4.96 119.74 117.89 1r4p s LYS 12 Ca 0.22 0.97 -0.23 0.00 -0.36 0.00 0.00 55.97 56.57 1r4p s LYS 12 Cb 0.03 0.05 -0.04 0.00 -1.51 0.00 0.00 37.83 36.36 1r4p s LYS 12 CO 0.05 -0.15 0.68 -0.47 -0.36 0.00 0.00 175.35 175.10 1r4p s TYR 13 N 1.46 3.63 0.25 4.03 6.14 -1.26 -0.47 117.35 131.13 1r4p s TYR 13 Ca -0.09 1.26 0.06 0.00 0.64 0.00 0.00 57.07 58.94 1r4p s TYR 13 Cb -0.07 -2.75 -0.03 0.00 0.42 0.00 0.00 41.96 39.53 1r4p s TYR 13 CO -0.15 0.18 0.28 -0.80 0.64 0.00 0.00 175.55 175.70 1r4p s ASN 14 N 0.41 5.86 0.59 4.32 0.01 0.59 -4.97 114.94 121.75 1r4p s ASN 14 Ca 0.36 -0.12 0.34 0.00 -0.71 0.00 0.00 52.86 52.73 1r4p s ASN 14 Cb -0.18 -1.58 1.86 0.00 0.41 0.00 0.00 41.25 41.76 1r4p s ASN 14 CO 0.18 -0.07 2.21 -0.33 -1.51 0.00 0.00 177.10 177.58 1r4p h GLU 15 N 1.33 0.00 -0.60 -0.60 5.08 -1.97 0.14 114.58 117.95 1r4p h GLU 15 Ca -0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 1r4p h GLU 15 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1r4p h GLU 15 CO 0.60 0.04 0.00 -0.40 -1.00 0.00 0.00 179.01 178.25 1r4p n ASP 16 N -3.47 3.06 -0.80 1.42 5.75 -1.26 -4.90 116.55 116.35 1r4p n ASP 16 Ca -0.02 -2.29 -0.10 0.00 -0.01 0.00 0.00 54.79 52.37 1r4p n ASP 16 Cb 0.15 -0.46 -0.04 0.00 -1.03 0.00 0.00 41.12 39.73 1r4p n ASP 16 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1r4p n ASP 17 N 0.54 -4.53 -4.84 -1.12 8.00 0.49 -5.01 116.55 110.08 1r4p n ASP 17 Ca 0.15 0.26 -0.22 0.00 0.71 0.00 0.00 54.79 55.69 1r4p n ASP 17 Cb 0.59 -2.95 0.08 0.00 -0.02 0.00 0.00 41.12 38.83 1r4p n ASP 17 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1r4p s THR 18 N -2.29 2.20 -0.07 -3.53 -4.23 -1.25 -4.83 115.64 101.64 1r4p s THR 18 Ca 0.00 -0.77 -0.03 0.00 -1.18 0.00 0.00 61.69 59.71 1r4p s THR 18 Cb 0.00 -2.43 0.04 0.00 1.34 0.00 0.00 72.50 71.45 1r4p s THR 18 CO 0.00 0.00 0.15 0.12 -0.54 0.00 0.00 174.62 174.35 1r4p s PHE 19 N -2.91 -0.16 -0.06 3.99 5.36 -0.47 -0.30 117.98 123.44 1r4p s PHE 19 Ca 0.64 0.49 -0.01 0.00 -0.96 0.00 0.00 56.93 57.09 1r4p s PHE 19 Cb -0.06 -0.11 -0.03 0.00 -0.34 0.00 0.00 43.02 42.48 1r4p s PHE 19 CO 0.42 -0.18 0.01 0.99 -1.46 0.00 0.00 175.22 174.99 1r4p s THR 20 N 1.30 4.29 0.07 0.12 2.01 0.38 -0.20 115.64 123.62 1r4p s THR 20 Ca -0.08 -0.35 0.05 0.00 0.31 0.00 0.00 61.69 61.61 1r4p s THR 20 Cb -0.12 -2.84 -0.03 0.00 0.01 0.00 0.00 72.50 69.52 1r4p s THR 20 CO -0.06 0.53 -0.13 0.68 -0.69 0.00 0.00 174.62 174.95 1r4p s VAL 21 N -0.96 1.03 -0.18 3.82 -7.23 -0.05 0.29 120.40 117.13 1r4p s VAL 21 Ca 0.16 -1.32 -0.02 0.00 -1.81 0.00 0.00 61.98 58.99 1r4p s VAL 21 Cb -0.11 -1.05 -0.01 0.00 0.56 0.00 0.00 36.38 35.77 1r4p s VAL 21 CO 0.05 -0.28 -0.09 -0.75 -0.31 0.00 0.00 175.10 173.72 1r4p s LYS 22 N -1.83 3.35 -0.04 4.82 2.20 -0.63 -1.09 119.74 126.52 1r4p s LYS 22 Ca -0.02 -0.67 0.01 0.00 -0.36 0.00 0.00 55.97 54.93 1r4p s LYS 22 Cb -0.09 -2.82 0.02 0.00 -1.51 0.00 0.00 37.83 33.43 1r4p s LYS 22 CO 0.02 -0.03 -0.03 0.08 -0.36 0.00 0.00 175.35 175.03 1r4p s VAL 23 N 0.99 0.42 -1.58 4.02 1.01 0.77 0.37 120.40 126.40 1r4p s VAL 23 Ca -0.01 -0.05 -0.12 0.00 0.00 0.00 0.00 61.98 61.80 1r4p s VAL 23 Cb -0.15 -0.47 0.10 0.00 0.00 0.00 0.00 36.38 35.86 1r4p s VAL 23 CO -0.01 0.20 0.71 -0.67 0.00 0.00 0.00 175.10 175.33 1r4p n ASP 24 N 4.08 -2.66 0.00 3.32 2.03 -1.26 -1.05 116.55 121.01 1r4p n ASP 24 Ca -0.25 -0.96 0.00 0.00 0.52 0.00 0.00 54.79 54.09 1r4p n ASP 24 Cb 0.51 -3.07 0.00 0.00 -0.72 0.00 0.00 41.12 37.83 1r4p n ASP 24 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1r4p n GLY 25 N -1.63 0.85 3.36 0.27 0.00 -1.26 -5.00 105.19 101.78 1r4p n GLY 25 Ca -0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 1r4p n GLY 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r4p s LYS 26 N -0.12 1.74 -0.10 1.61 1.02 -0.22 -5.09 119.74 118.59 1r4p s LYS 26 Ca 0.00 -1.15 -0.03 0.00 0.02 0.00 0.00 55.97 54.80 1r4p s LYS 26 Cb 0.00 -1.98 -0.04 0.00 -0.52 0.00 0.00 37.83 35.29 1r4p s LYS 26 CO 0.00 0.50 0.04 -1.21 -0.92 0.00 0.00 175.35 173.76 1r4p s GLU 27 N -1.43 3.15 0.02 1.68 2.02 -1.26 -0.17 118.70 122.71 1r4p s GLU 27 Ca 0.12 -0.33 -0.01 0.00 0.02 0.00 0.00 54.97 54.78 1r4p s GLU 27 Cb -0.10 -2.92 -0.02 0.00 0.10 0.00 0.00 34.13 31.19 1r4p s GLU 27 CO 0.03 0.71 -0.01 0.71 0.02 0.00 0.00 175.26 176.72 1r4p s TYR 28 N -0.87 0.22 0.15 1.61 2.02 -0.25 0.16 117.35 120.39 1r4p s TYR 28 Ca 0.13 -0.46 0.07 0.00 -0.37 0.00 0.00 57.07 56.44 1r4p s TYR 28 Cb -0.12 -0.17 -0.04 0.00 -0.40 0.00 0.00 41.96 41.24 1r4p s TYR 28 CO 0.03 -0.20 -0.15 1.67 -1.57 0.00 0.00 175.55 175.33 1r4p s TRP 29 N -1.40 1.56 0.02 2.71 1.48 -0.57 -0.87 118.94 121.87 1r4p s TRP 29 Ca -0.15 -0.55 0.02 0.00 -1.06 0.00 0.00 56.10 54.36 1r4p s TRP 29 Cb -0.09 -0.79 -0.01 0.00 -1.16 0.00 0.00 33.47 31.42 1r4p s TRP 29 CO -0.01 0.22 -0.07 -0.08 -4.06 0.00 0.00 176.95 172.96 1r4p s THR 30 N -2.33 0.53 -2.48 0.66 -1.32 0.73 -0.62 115.64 110.80 1r4p s THR 30 Ca 0.13 -0.66 0.23 0.00 -1.21 0.00 0.00 61.69 60.18 1r4p s THR 30 Cb -0.04 -0.52 0.42 0.00 -1.51 0.00 0.00 72.50 70.85 1r4p s THR 30 CO 0.04 -0.11 1.42 -1.54 -2.21 0.00 0.00 174.62 172.23 1r4p n SER 31 N 2.22 3.07 -4.57 8.08 3.41 -1.26 -1.36 113.62 123.21 1r4p n SER 31 Ca -0.18 -1.94 -0.43 0.00 -0.26 0.00 0.00 58.87 56.07 1r4p n SER 31 Cb 0.56 -0.21 -0.03 0.00 -0.26 0.00 0.00 64.21 64.27 1r4p n SER 31 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1r4p s ARG 32 N -1.59 3.55 0.39 4.33 1.81 -1.26 -4.87 118.95 121.31 1r4p s ARG 32 Ca 0.37 0.22 0.07 0.00 -1.72 0.00 0.00 55.73 54.66 1r4p s ARG 32 Cb 0.22 -3.95 0.81 0.00 -0.45 0.00 0.00 34.95 31.57 1r4p s ARG 32 CO 0.31 -1.36 2.01 -1.49 -0.68 0.00 0.00 175.30 174.09 1r4p h TRP 33 N 9.21 0.62 -0.27 -0.53 4.06 -1.88 -1.13 115.95 126.04 1r4p h TRP 33 Ca -0.24 0.02 0.07 0.00 2.06 0.00 0.00 58.89 60.79 1r4p h TRP 33 Cb 1.07 -0.21 -0.01 0.00 -1.00 0.00 0.00 29.16 29.01 1r4p h TRP 33 CO 0.92 0.36 0.19 -0.91 -3.56 0.00 0.00 178.44 175.45 1r4p h ASN 34 N 0.65 0.05 0.93 -3.49 2.35 -2.00 -0.31 115.58 113.75 1r4p h ASN 34 Ca 0.22 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 1r4p h ASN 34 Cb 0.09 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.45 1r4p h ASN 34 CO -0.06 0.03 0.00 0.18 -1.65 0.00 0.00 177.43 175.93 1r4p n LEU 35 N -4.47 0.63 0.35 1.61 4.77 -0.43 -4.04 117.00 115.42 1r4p n LEU 35 Ca 0.03 0.62 -0.18 0.00 -0.03 0.00 0.00 56.01 56.45 1r4p n LEU 35 Cb 0.31 -0.50 -0.09 0.00 -2.33 0.00 0.00 43.42 40.81 1r4p n LEU 35 CO 0.35 -0.41 0.62 1.56 -1.33 0.00 0.00 177.39 178.19 1r4p h GLN 36 N 0.00 -0.90 0.00 3.23 4.20 -1.15 0.16 115.11 120.65 1r4p h GLN 36 Ca 0.00 0.06 -0.08 0.00 0.06 0.00 0.00 58.65 58.69 1r4p h GLN 36 Cb 0.47 0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.44 1r4p h GLN 36 CO 0.00 -0.60 -0.40 -1.00 -0.67 0.00 0.00 178.83 176.17 1r4p h PRO 37 N -0.93 0.00 -0.46 1.46 0.14 -1.77 -0.98 132.00 129.46 1r4p h PRO 37 Ca -0.08 0.00 -0.13 0.00 0.14 0.00 0.00 66.00 65.93 1r4p h PRO 37 Cb 0.75 0.00 -0.01 0.00 0.14 0.00 0.00 31.00 31.88 1r4p h PRO 37 CO 0.09 0.40 -0.24 -0.07 0.14 0.00 0.00 178.00 178.31 1r4p h LEU 38 N 0.00 0.99 -0.34 1.56 3.38 -1.65 0.37 115.31 119.62 1r4p h LEU 38 Ca -0.00 -0.38 -0.19 0.00 0.09 0.00 0.00 57.88 57.39 1r4p h LEU 38 Cb 0.85 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1r4p h LEU 38 CO 0.05 1.17 -0.62 -0.07 0.09 0.00 0.00 178.44 179.06 1r4p h LEU 39 N 0.82 0.82 -0.66 1.67 3.38 -0.43 -0.74 115.31 120.17 1r4p h LEU 39 Ca 0.10 -0.47 -0.06 0.00 0.09 0.00 0.00 57.88 57.54 1r4p h LEU 39 Cb 0.82 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 1r4p h LEU 39 CO 0.07 1.24 0.17 -0.61 0.09 0.00 0.00 178.44 179.40 1r4p h GLN 40 N 0.54 1.05 -0.50 1.13 4.15 -0.94 0.17 115.11 120.71 1r4p h GLN 40 Ca -0.01 -0.25 -0.02 0.00 0.77 0.00 0.00 58.65 59.15 1r4p h GLN 40 Cb 1.21 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 28.74 1r4p h GLN 40 CO 0.13 0.94 0.24 0.77 -1.93 0.00 0.00 178.83 178.97 1r4p h SER 41 N 0.97 0.66 -0.73 -0.69 0.02 -0.78 0.25 113.55 113.27 1r4p h SER 41 Ca 0.21 -0.14 0.01 0.00 -0.84 0.00 0.00 61.79 61.03 1r4p h SER 41 Cb 0.35 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.68 1r4p h SER 41 CO 0.00 0.61 0.48 0.00 -1.14 0.00 0.00 176.83 176.79 1r4p h ALA 42 N 1.08 0.92 -0.34 3.77 0.00 -0.64 -1.52 119.26 122.52 1r4p h ALA 42 Ca 0.17 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1r4p h ALA 42 Cb 0.13 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1r4p h ALA 42 CO -0.02 0.34 0.10 0.37 0.00 0.00 0.00 179.25 180.05 1r4p h GLN 43 N 0.99 0.54 -0.68 0.00 4.15 -0.07 -0.21 115.11 119.82 1r4p h GLN 43 Ca 0.27 -0.12 0.01 0.00 0.77 0.00 0.00 58.65 59.58 1r4p h GLN 43 Cb -0.11 -0.08 -0.04 0.00 0.21 0.00 0.00 27.48 27.47 1r4p h GLN 43 CO -0.06 0.57 0.45 -0.07 -1.93 0.00 0.00 178.83 177.79 1r4p h LEU 44 N 0.40 0.76 -2.18 -2.39 3.38 -0.21 -2.91 115.31 112.16 1r4p h LEU 44 Ca 0.11 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1r4p h LEU 44 Cb 0.26 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1r4p h LEU 44 CO -0.00 0.54 0.00 0.35 0.09 0.00 0.00 178.44 179.42 1r4p n THR 45 N -4.44 0.35 -2.45 0.22 -2.24 -0.60 -4.97 114.28 100.16 1r4p n THR 45 Ca 0.08 -0.67 -0.12 0.00 -2.27 0.00 0.00 64.05 61.07 1r4p n THR 45 Cb 0.06 1.11 0.01 0.00 -2.10 0.00 0.00 70.33 69.41 1r4p n THR 45 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1r4p n GLY 46 N 1.46 -0.05 3.77 3.38 0.00 -0.36 -5.00 105.19 108.39 1r4p n GLY 46 Ca 0.18 -0.34 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 1r4p n GLY 46 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1r4p s MET 47 N -4.87 2.97 -0.21 1.61 -1.94 -0.23 -4.80 119.30 111.83 1r4p s MET 47 Ca 0.08 1.47 -0.18 0.00 -1.71 0.00 0.00 55.69 55.36 1r4p s MET 47 Cb -0.04 -1.97 -0.03 0.00 2.01 0.00 0.00 34.83 34.80 1r4p s MET 47 CO 0.10 -1.13 0.48 0.99 -0.01 0.00 0.00 175.02 175.45 1r4p s THR 48 N -2.14 5.13 0.12 2.05 2.01 -0.05 -4.34 115.64 118.43 1r4p s THR 48 Ca 0.69 0.86 0.07 0.00 0.31 0.00 0.00 61.69 63.63 1r4p s THR 48 Cb -0.22 -3.80 -0.04 0.00 0.01 0.00 0.00 72.50 68.45 1r4p s THR 48 CO 0.37 0.19 -0.08 0.68 -0.69 0.00 0.00 174.62 175.09 1r4p s VAL 49 N 1.58 3.41 -0.23 3.82 -7.23 0.09 -0.51 120.40 121.33 1r4p s VAL 49 Ca 0.22 -1.33 0.02 0.00 -1.81 0.00 0.00 61.98 59.08 1r4p s VAL 49 Cb -0.15 -2.63 0.05 0.00 0.56 0.00 0.00 36.38 34.21 1r4p s VAL 49 CO 0.09 0.05 -0.13 -0.89 -0.31 0.00 0.00 175.10 173.92 1r4p s THR 50 N -1.35 2.02 -0.02 5.32 2.01 -0.06 -1.33 115.64 122.22 1r4p s THR 50 Ca 0.23 -1.34 -0.30 0.00 0.31 0.00 0.00 61.69 60.59 1r4p s THR 50 Cb -0.11 -2.06 -0.03 0.00 0.01 0.00 0.00 72.50 70.32 1r4p s THR 50 CO 0.15 0.14 1.06 -0.63 -0.69 0.00 0.00 174.62 174.65 1r4p s ILE 51 N 1.21 4.60 -0.08 1.82 -1.09 0.88 -1.35 121.20 127.19 1r4p s ILE 51 Ca -0.04 1.87 0.04 0.00 -2.23 0.00 0.00 60.65 60.29 1r4p s ILE 51 Cb -0.18 -4.20 -0.00 0.00 -1.58 0.00 0.00 42.46 36.50 1r4p s ILE 51 CO -0.08 0.09 -0.22 -0.54 -1.23 0.00 0.00 174.94 172.97 1r4p s LYS 52 N 1.44 2.59 0.12 2.79 1.02 -0.24 0.34 119.74 127.80 1r4p s LYS 52 Ca 0.53 -0.78 -0.24 0.00 0.02 0.00 0.00 55.97 55.49 1r4p s LYS 52 Cb -0.22 -2.05 0.08 0.00 -0.52 0.00 0.00 37.83 35.12 1r4p s LYS 52 CO 0.25 0.20 0.66 0.45 -0.92 0.00 0.00 175.35 176.00 1r4p s SER 53 N 0.25 -0.53 0.35 2.83 0.15 -0.69 -3.69 113.70 112.37 1r4p s SER 53 Ca -0.13 0.03 0.26 0.00 0.70 0.00 0.00 55.95 56.80 1r4p s SER 53 Cb -0.16 0.55 0.75 0.00 -1.71 0.00 0.00 66.02 65.46 1r4p s SER 53 CO 0.06 -0.88 1.74 0.77 1.20 0.00 0.00 173.24 176.13 1r4p h SER 54 N 2.04 0.00 -3.26 5.45 4.64 -1.91 0.98 113.55 121.50 1r4p h SER 54 Ca -0.31 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.41 1r4p h SER 54 Cb 1.29 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 63.01 1r4p h SER 54 CO 0.37 0.00 -0.82 -0.89 -0.87 0.00 0.00 176.83 174.62 1r4p s THR 55 N -3.26 1.55 -1.89 2.95 2.01 -1.26 -4.81 115.64 110.93 1r4p s THR 55 Ca 0.07 -0.77 0.20 0.00 0.31 0.00 0.00 61.69 61.50 1r4p s THR 55 Cb 0.09 -1.54 0.47 0.00 0.01 0.00 0.00 72.50 71.52 1r4p s THR 55 CO 0.59 0.32 1.39 0.00 -0.69 0.00 0.00 174.62 176.23 1r4p n GLU 57 N 1.31 2.75 -1.70 0.00 2.13 -1.26 -4.90 120.64 118.96 1r4p n GLU 57 Ca 0.19 0.98 -0.39 0.00 0.66 0.00 0.00 57.16 58.60 1r4p n GLU 57 Cb 0.56 -2.76 0.04 0.00 0.27 0.00 0.00 31.44 29.55 1r4p n GLU 57 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1r4p n SER 58 N 1.97 2.11 0.00 4.31 2.88 -1.26 -1.54 113.62 122.09 1r4p n SER 58 Ca 0.08 0.95 0.00 0.00 -1.33 0.00 0.00 58.87 58.56 1r4p n SER 58 Cb 0.37 -1.51 0.00 0.00 -0.75 0.00 0.00 64.21 62.32 1r4p n SER 58 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1r4p n GLY 59 N 0.92 1.41 3.98 0.46 0.00 0.43 -4.90 105.19 107.48 1r4p n GLY 59 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.88 1r4p n GLY 59 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1r4p s SER 60 N -3.01 4.11 0.46 1.61 1.04 -0.59 -4.74 113.70 112.59 1r4p s SER 60 Ca 0.00 -0.23 0.01 0.00 0.48 0.00 0.00 55.95 56.21 1r4p s SER 60 Cb 0.00 -0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.04 1r4p s SER 60 CO 0.00 -2.03 0.67 -0.83 0.98 0.00 0.00 173.24 172.03 1r4p s GLY 61 N -4.76 1.61 0.09 7.32 0.00 -1.26 -1.51 107.32 108.82 1r4p s GLY 61 Ca 0.68 -1.14 -0.17 0.00 0.00 0.00 0.00 44.72 44.09 1r4p s GLY 61 CO 0.46 -0.96 0.40 -0.11 0.00 0.00 0.00 173.10 172.89 1r4p s PHE 62 N -2.56 -0.22 0.00 1.90 -0.71 0.20 -4.79 117.98 111.81 1r4p s PHE 62 Ca 0.50 -0.00 0.00 0.00 -1.04 0.00 0.00 56.93 56.38 1r4p s PHE 62 Cb -0.10 0.24 0.00 0.00 -1.21 0.00 0.00 43.02 41.95 1r4p s PHE 62 CO 0.37 -0.65 0.69 0.00 -1.34 0.00 0.00 175.22 174.29 1r4p n ALA 63 N 0.04 1.67 -3.66 1.99 0.00 -1.26 -4.20 120.51 115.09 1r4p n ALA 63 Ca -0.17 -0.59 -0.20 0.00 0.00 0.00 0.00 53.44 52.48 1r4p n ALA 63 Cb 0.62 -0.24 -0.17 0.00 0.00 0.00 0.00 19.45 19.67 1r4p n ALA 63 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1r4p s GLU 64 N 0.00 0.78 -0.17 0.00 2.12 -1.24 -5.08 118.70 115.11 1r4p s GLU 64 Ca 0.00 -0.07 -0.13 0.00 0.36 0.00 0.00 54.97 55.14 1r4p s GLU 64 Cb 0.00 -0.86 0.05 0.00 0.26 0.00 0.00 34.13 33.59 1r4p s GLU 64 CO 0.00 -0.12 0.44 0.54 -0.54 0.00 0.00 175.26 175.58 1r4p s VAL 65 N 1.10 -0.01 -0.03 3.70 0.11 -1.26 -1.08 120.40 122.93 1r4p s VAL 65 Ca -0.08 0.04 -0.04 0.00 -2.93 0.00 0.00 61.98 58.97 1r4p s VAL 65 Cb -0.14 -0.63 -0.04 0.00 -1.53 0.00 0.00 36.38 34.04 1r4p s VAL 65 CO -0.01 0.02 0.18 -1.58 -3.33 0.00 0.00 175.10 170.38 1r4p s GLN 66 N 0.84 3.45 -0.17 1.54 0.74 -0.45 -4.90 119.66 120.70 1r4p s GLN 66 Ca -0.05 -0.26 0.01 0.00 0.05 0.00 0.00 55.36 55.11 1r4p s GLN 66 Cb -0.06 -3.12 0.01 0.00 1.10 0.00 0.00 33.01 30.95 1r4p s GLN 66 CO -0.07 0.70 -0.18 -0.06 -0.55 0.00 0.00 175.29 175.13 1r4p s PHE 67 N -1.26 2.77 0.12 1.67 0.08 -1.26 -0.89 117.98 119.21 1r4p s PHE 67 Ca 0.25 -1.40 0.10 0.00 0.12 0.00 0.00 56.93 55.99 1r4p s PHE 67 Cb -0.13 -1.90 -0.04 0.00 -0.57 0.00 0.00 43.02 40.38 1r4p s PHE 67 CO 0.15 -0.68 -0.24 -0.80 -0.10 0.00 0.00 175.22 173.55 1r4p s ASN 68 N 1.10 2.95 0.70 1.36 -0.87 0.33 -4.99 114.94 115.53 1r4p s ASN 68 Ca 0.00 -0.72 0.02 0.00 -1.57 0.00 0.00 52.86 50.59 1r4p s ASN 68 Cb -0.14 -0.18 0.13 0.00 -0.02 0.00 0.00 41.25 41.04 1r4p s ASN 68 CO -0.07 0.12 0.94 0.59 -2.57 0.00 0.00 177.10 176.11 1r4p n ASN 69 N 0.99 1.46 0.00 -1.22 3.02 -1.26 -0.87 115.26 117.38 1r4p n ASN 69 Ca -0.19 -2.19 0.00 0.00 -0.03 0.00 0.00 54.58 52.18 1r4p n ASN 69 Cb 0.53 -0.59 0.01 0.00 -0.61 0.00 0.00 39.78 39.13 1r4p n ASN 69 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11