#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 6.42 -0.05 0.00 1.01 -1.26 -0.99 116.67 121.81 1r4p s ASP 2 Ca 0.00 -0.09 -0.10 0.00 0.71 0.00 0.00 52.55 53.07 1r4p s ASP 2 Cb 0.00 -2.45 -0.30 0.00 1.01 0.00 0.00 42.92 41.18 1r4p s ASP 2 CO 0.00 -1.14 0.66 0.00 0.21 0.00 0.00 175.17 174.90 1r4p s ALA 4 N -2.58 -1.18 -0.06 0.00 0.00 -1.18 -4.99 121.76 111.77 1r4p s ALA 4 Ca -0.16 1.45 0.01 0.00 0.00 0.00 0.00 51.96 53.26 1r4p s ALA 4 Cb 0.06 -0.85 0.02 0.00 0.00 0.00 0.00 23.12 22.35 1r4p s ALA 4 CO 0.85 -0.24 -0.05 0.21 0.00 0.00 0.00 175.76 176.52 1r4p s LYS 5 N 0.64 0.99 0.00 0.00 2.20 -1.26 -0.48 119.74 121.83 1r4p s LYS 5 Ca -0.03 -0.13 0.00 0.00 -0.36 0.00 0.00 55.97 55.45 1r4p s LYS 5 Cb -0.05 -1.02 0.00 0.00 -1.51 0.00 0.00 37.83 35.25 1r4p s LYS 5 CO -0.04 -0.12 0.00 0.41 -0.36 0.00 0.00 175.35 175.23 1r4p n GLY 6 N 4.30 -1.66 3.86 5.54 0.00 -0.17 -4.71 105.19 112.35 1r4p n GLY 6 Ca -0.20 -1.22 -0.32 0.00 0.00 0.00 0.00 46.02 44.29 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 -1.87 3.75 -0.14 1.61 1.02 -1.26 -0.90 119.74 121.96 1r4p s LYS 7 Ca 0.00 0.85 -0.29 0.00 0.02 0.00 0.00 55.97 56.55 1r4p s LYS 7 Cb 0.00 -2.10 -0.01 0.00 -0.52 0.00 0.00 37.83 35.19 1r4p s LYS 7 CO 0.00 -0.44 1.13 0.42 -0.92 0.00 0.00 175.35 175.54 1r4p s ILE 8 N -2.91 4.49 0.05 2.17 1.01 -1.26 -4.22 121.20 120.52 1r4p s ILE 8 Ca 0.57 1.79 0.06 0.00 0.00 0.00 0.00 60.65 63.07 1r4p s ILE 8 Cb -0.11 -4.15 -0.23 0.00 0.01 0.00 0.00 42.46 37.98 1r4p s ILE 8 CO 0.43 -0.08 1.03 -0.33 0.00 0.00 0.00 174.94 176.00 1r4p h GLU 9 N 7.56 0.05 -2.47 2.79 5.08 -0.37 -3.47 114.58 123.74 1r4p h GLU 9 Ca -0.28 -0.09 0.09 0.00 -1.00 0.00 0.00 59.36 58.09 1r4p h GLU 9 Cb 1.12 0.03 -0.13 0.00 0.50 0.00 0.00 28.75 30.28 1r4p h GLU 9 CO 0.92 0.89 0.42 -0.59 -1.00 0.00 0.00 179.01 179.65 1r4p s PHE 10 N -2.66 -0.34 0.13 4.33 -0.12 -1.25 -4.97 117.98 113.10 1r4p s PHE 10 Ca -0.02 0.14 0.03 0.00 -0.05 0.00 0.00 56.93 57.03 1r4p s PHE 10 Cb 0.09 0.57 -0.04 0.00 -0.63 0.00 0.00 43.02 43.01 1r4p s PHE 10 CO 0.83 -0.70 -0.09 -1.54 -0.05 0.00 0.00 175.22 173.67 1r4p s SER 11 N -2.65 1.55 -0.18 1.98 1.04 -1.26 -1.15 113.70 113.03 1r4p s SER 11 Ca 0.06 -0.99 -0.11 0.00 0.48 0.00 0.00 55.95 55.39 1r4p s SER 11 Cb -0.01 0.03 0.06 0.00 0.10 0.00 0.00 66.02 66.19 1r4p s SER 11 CO -0.07 -0.37 0.44 -0.75 0.98 0.00 0.00 173.24 173.48 1r4p s LYS 12 N -3.70 0.44 -0.06 4.02 2.20 0.16 -4.95 119.74 117.85 1r4p s LYS 12 Ca 0.14 0.82 -0.20 0.00 -0.36 0.00 0.00 55.97 56.37 1r4p s LYS 12 Cb 0.03 0.03 -0.05 0.00 -1.51 0.00 0.00 37.83 36.33 1r4p s LYS 12 CO -0.01 -0.15 0.57 -0.47 -0.36 0.00 0.00 175.35 174.93 1r4p s TYR 13 N 1.29 3.60 0.21 4.03 6.14 -1.26 -0.12 117.35 131.24 1r4p s TYR 13 Ca -0.08 1.09 0.05 0.00 0.64 0.00 0.00 57.07 58.76 1r4p s TYR 13 Cb -0.07 -2.62 -0.04 0.00 0.42 0.00 0.00 41.96 39.65 1r4p s TYR 13 CO -0.12 0.24 0.23 -0.80 0.64 0.00 0.00 175.55 175.73 1r4p s ASN 14 N 0.29 5.82 0.53 4.32 0.01 -0.03 -4.97 114.94 120.91 1r4p s ASN 14 Ca 0.30 -0.08 0.21 0.00 -0.71 0.00 0.00 52.86 52.58 1r4p s ASN 14 Cb -0.17 -1.59 1.37 0.00 0.41 0.00 0.00 41.25 41.27 1r4p s ASN 14 CO 0.15 0.00 2.09 -0.08 -1.51 0.00 0.00 177.10 177.75 1r4p h GLU 15 N 1.81 0.00 -0.62 -0.60 4.81 -1.97 0.10 114.58 118.11 1r4p h GLU 15 Ca -0.49 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1r4p h GLU 15 Cb 1.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.60 1r4p h GLU 15 CO 0.63 0.00 0.00 -0.40 -0.73 0.00 0.00 179.01 178.51 1r4p n ASP 16 N -4.39 2.49 0.00 1.04 5.75 -1.26 -4.88 116.55 115.30 1r4p n ASP 16 Ca 0.02 -2.24 0.00 0.00 -0.01 0.00 0.00 54.79 52.57 1r4p n ASP 16 Cb 0.32 -0.43 0.00 0.00 -1.03 0.00 0.00 41.12 39.97 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 0.33 -1.78 -4.33 -1.12 8.00 0.35 -5.01 116.55 113.00 1r4p n ASP 17 Ca 0.11 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.32 1r4p n ASP 17 Cb 0.50 -1.35 0.16 0.00 -0.02 0.00 0.00 41.12 40.41 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 -2.26 2.01 -0.04 -3.53 -4.23 -1.26 -4.81 115.64 101.54 1r4p s THR 18 Ca 0.00 -0.03 -0.01 0.00 -1.18 0.00 0.00 61.69 60.47 1r4p s THR 18 Cb 0.00 -2.98 0.03 0.00 1.34 0.00 0.00 72.50 70.89 1r4p s THR 18 CO 0.00 0.00 0.07 0.12 -0.54 0.00 0.00 174.62 174.27 1r4p s PHE 19 N -3.78 -0.05 -0.05 3.99 5.36 -0.22 -0.85 117.98 122.39 1r4p s PHE 19 Ca 0.71 0.26 0.01 0.00 -0.96 0.00 0.00 56.93 56.95 1r4p s PHE 19 Cb -0.05 -0.17 -0.03 0.00 -0.34 0.00 0.00 43.02 42.43 1r4p s PHE 19 CO 0.52 -0.11 -0.06 0.99 -1.46 0.00 0.00 175.22 175.09 1r4p s THR 20 N 1.06 3.73 0.07 0.12 2.01 0.84 -0.19 115.64 123.27 1r4p s THR 20 Ca -0.09 -0.56 0.05 0.00 0.31 0.00 0.00 61.69 61.41 1r4p s THR 20 Cb -0.12 -2.56 -0.03 0.00 0.01 0.00 0.00 72.50 69.81 1r4p s THR 20 CO -0.04 0.53 -0.14 0.68 -0.69 0.00 0.00 174.62 174.96 1r4p s VAL 21 N -0.88 1.12 -0.24 3.82 -7.23 0.48 0.36 120.40 117.84 1r4p s VAL 21 Ca 0.14 -1.28 -0.06 0.00 -1.81 0.00 0.00 61.98 58.97 1r4p s VAL 21 Cb -0.11 -1.07 -0.02 0.00 0.56 0.00 0.00 36.38 35.74 1r4p s VAL 21 CO 0.04 -0.20 0.02 -0.75 -0.31 0.00 0.00 175.10 173.89 1r4p s LYS 22 N -1.69 3.50 -0.04 4.82 2.20 -0.30 -0.29 119.74 127.94 1r4p s LYS 22 Ca -0.02 -0.56 0.02 0.00 -0.36 0.00 0.00 55.97 55.05 1r4p s LYS 22 Cb -0.10 -3.17 0.01 0.00 -1.51 0.00 0.00 37.83 33.06 1r4p s LYS 22 CO 0.02 -0.20 -0.07 0.08 -0.36 0.00 0.00 175.35 174.82 1r4p s VAL 23 N 1.55 0.72 -1.53 4.02 1.01 0.56 0.47 120.40 127.20 1r4p s VAL 23 Ca 0.06 -0.27 -0.10 0.00 0.00 0.00 0.00 61.98 61.67 1r4p s VAL 23 Cb -0.15 -0.69 0.08 0.00 0.00 0.00 0.00 36.38 35.62 1r4p s VAL 23 CO 0.00 0.25 0.77 -0.67 0.00 0.00 0.00 175.10 175.45 1r4p n ASP 24 N 3.73 -2.91 0.00 3.32 2.03 -1.26 -1.32 116.55 120.15 1r4p n ASP 24 Ca -0.23 -0.90 0.00 0.00 0.52 0.00 0.00 54.79 54.18 1r4p n ASP 24 Cb 0.52 -3.39 0.00 0.00 -0.72 0.00 0.00 41.12 37.53 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 -1.66 0.45 3.22 0.27 0.00 -1.26 -5.00 105.19 101.22 1r4p n GLY 25 Ca -0.07 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.58 1.40 -0.04 1.61 1.02 -0.43 -4.99 119.74 117.73 1r4p s LYS 26 Ca 0.00 -0.85 -0.13 0.00 0.02 0.00 0.00 55.97 55.01 1r4p s LYS 26 Cb 0.00 -1.46 -0.05 0.00 -0.52 0.00 0.00 37.83 35.80 1r4p s LYS 26 CO 0.00 0.38 0.35 -1.21 -0.92 0.00 0.00 175.35 173.95 1r4p s GLU 27 N -0.95 3.86 0.01 1.68 2.02 -1.26 -0.32 118.70 123.74 1r4p s GLU 27 Ca 0.07 0.29 0.01 0.00 0.02 0.00 0.00 54.97 55.36 1r4p s GLU 27 Cb -0.08 -3.24 -0.01 0.00 0.10 0.00 0.00 34.13 30.90 1r4p s GLU 27 CO 0.01 0.66 -0.04 0.71 0.02 0.00 0.00 175.26 176.62 1r4p s TYR 28 N -0.90 0.39 0.16 1.61 2.02 0.60 0.64 117.35 121.86 1r4p s TYR 28 Ca 0.22 -0.24 0.10 0.00 -0.37 0.00 0.00 57.07 56.78 1r4p s TYR 28 Cb -0.15 -0.25 -0.04 0.00 -0.40 0.00 0.00 41.96 41.12 1r4p s TYR 28 CO 0.11 -0.05 -0.24 1.67 -1.57 0.00 0.00 175.55 175.47 1r4p s TRP 29 N -0.62 2.17 0.02 2.71 1.48 -0.43 -0.38 118.94 123.89 1r4p s TRP 29 Ca -0.04 -0.39 0.02 0.00 -1.06 0.00 0.00 56.10 54.63 1r4p s TRP 29 Cb -0.05 -1.12 -0.02 0.00 -1.16 0.00 0.00 33.47 31.12 1r4p s TRP 29 CO -0.00 0.38 -0.06 -0.08 -4.06 0.00 0.00 176.95 173.13 1r4p s THR 30 N -1.45 0.40 -2.20 0.66 -1.32 0.73 -0.40 115.64 112.07 1r4p s THR 30 Ca 0.16 -0.77 0.22 0.00 -1.21 0.00 0.00 61.69 60.09 1r4p s THR 30 Cb -0.09 -0.45 0.50 0.00 -1.51 0.00 0.00 72.50 70.95 1r4p s THR 30 CO 0.07 -0.26 1.44 -1.54 -2.21 0.00 0.00 174.62 172.13 1r4p n SER 31 N 1.95 3.62 -4.59 8.08 3.41 -1.26 -1.05 113.62 123.78 1r4p n SER 31 Ca -0.20 -1.99 -0.42 0.00 -0.26 0.00 0.00 58.87 56.00 1r4p n SER 31 Cb 0.56 -0.34 -0.02 0.00 -0.26 0.00 0.00 64.21 64.15 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 -1.27 3.50 0.26 4.33 1.81 -1.26 -4.86 118.95 121.46 1r4p s ARG 32 Ca 0.42 0.65 -0.02 0.00 -1.72 0.00 0.00 55.73 55.05 1r4p s ARG 32 Cb 0.23 -4.04 0.43 0.00 -0.45 0.00 0.00 34.95 31.12 1r4p s ARG 32 CO 0.31 -1.67 1.86 -1.49 -0.68 0.00 0.00 175.30 173.63 1r4p h TRP 33 N 10.48 1.12 0.00 -0.53 4.06 -1.91 -1.19 115.95 127.99 1r4p h TRP 33 Ca -0.26 0.03 -0.01 0.00 2.06 0.00 0.00 58.89 60.70 1r4p h TRP 33 Cb 1.09 -0.36 -0.00 0.00 -1.00 0.00 0.00 29.16 28.89 1r4p h TRP 33 CO 1.00 0.53 -0.07 -0.91 -3.56 0.00 0.00 178.44 175.44 1r4p h ASN 34 N 1.06 0.00 0.83 -3.49 4.21 -2.00 -2.22 115.58 113.97 1r4p h ASN 34 Ca 0.43 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.94 1r4p h ASN 34 Cb 0.26 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.46 1r4p h ASN 34 CO -0.20 0.07 0.00 0.18 -1.29 0.00 0.00 177.43 176.19 1r4p n LEU 35 N -3.75 0.54 0.35 1.61 4.77 -0.45 -3.80 117.00 116.27 1r4p n LEU 35 Ca -0.02 0.61 -0.16 0.00 -0.03 0.00 0.00 56.01 56.41 1r4p n LEU 35 Cb 0.17 -0.52 -0.08 0.00 -2.33 0.00 0.00 43.42 40.66 1r4p n LEU 35 CO 0.29 -0.41 0.53 1.56 -1.33 0.00 0.00 177.39 178.03 1r4p h GLN 36 N 0.00 -0.85 0.00 3.23 4.20 -1.51 0.22 115.11 120.41 1r4p h GLN 36 Ca 0.00 0.06 -0.08 0.00 0.06 0.00 0.00 58.65 58.68 1r4p h GLN 36 Cb 0.41 0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.38 1r4p h GLN 36 CO 0.00 -0.53 -0.39 -1.00 -0.67 0.00 0.00 178.83 176.24 1r4p h PRO 37 N -1.04 0.00 -0.55 1.46 0.13 -1.79 -0.66 132.00 129.56 1r4p h PRO 37 Ca -0.09 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.93 1r4p h PRO 37 Cb 0.71 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.82 1r4p h PRO 37 CO 0.15 0.39 -0.11 -0.07 -0.23 0.00 0.00 178.00 178.14 1r4p h LEU 38 N 0.00 1.05 -0.36 1.56 3.38 -1.61 -0.34 115.31 118.99 1r4p h LEU 38 Ca -0.00 -0.35 -0.16 0.00 0.09 0.00 0.00 57.88 57.45 1r4p h LEU 38 Cb 0.77 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 1r4p h LEU 38 CO 0.05 1.15 -0.42 -0.07 0.09 0.00 0.00 178.44 179.24 1r4p h LEU 39 N 0.92 0.99 -0.83 1.67 3.38 -0.29 -1.37 115.31 119.77 1r4p h LEU 39 Ca 0.14 -0.48 -0.06 0.00 0.09 0.00 0.00 57.88 57.57 1r4p h LEU 39 Cb 0.68 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 1r4p h LEU 39 CO 0.05 1.27 0.17 -0.61 0.09 0.00 0.00 178.44 179.42 1r4p h GLN 40 N 0.72 1.05 -0.39 1.13 4.15 -0.91 0.23 115.11 121.09 1r4p h GLN 40 Ca 0.05 -0.23 -0.12 0.00 0.77 0.00 0.00 58.65 59.11 1r4p h GLN 40 Cb 1.02 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 28.55 1r4p h GLN 40 CO 0.10 0.92 -0.26 0.66 -1.93 0.00 0.00 178.83 178.32 1r4p h SER 41 N 1.00 0.84 -0.70 -0.69 4.64 -0.99 0.13 113.55 117.78 1r4p h SER 41 Ca 0.21 -0.32 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 1r4p h SER 41 Cb 0.33 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 62.16 1r4p h SER 41 CO -0.00 1.05 0.45 0.00 -0.87 0.00 0.00 176.83 177.46 1r4p h ALA 42 N 1.01 0.89 -0.07 5.18 0.00 -0.62 -2.41 119.26 123.23 1r4p h ALA 42 Ca 0.09 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1r4p h ALA 42 Cb 0.79 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1r4p h ALA 42 CO 0.07 0.33 0.05 0.37 0.00 0.00 0.00 179.25 180.06 1r4p h GLN 43 N 0.95 0.09 0.00 0.00 4.15 0.14 0.11 115.11 120.55 1r4p h GLN 43 Ca 0.25 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.66 1r4p h GLN 43 Cb -0.09 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 27.58 1r4p h GLN 43 CO -0.05 0.06 -0.03 -0.07 -1.93 0.00 0.00 178.83 176.81 1r4p h LEU 44 N 0.10 0.00 -1.93 -2.39 3.38 -0.42 -2.23 115.31 111.82 1r4p h LEU 44 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1r4p h LEU 44 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1r4p h LEU 44 CO -0.01 0.03 0.00 0.35 0.09 0.00 0.00 178.44 178.90 1r4p n THR 45 N -4.13 0.09 -1.82 0.22 -2.24 -0.94 -4.96 114.28 100.50 1r4p n THR 45 Ca -0.03 -0.55 -0.06 0.00 -2.27 0.00 0.00 64.05 61.15 1r4p n THR 45 Cb 0.11 1.37 -0.01 0.00 -2.10 0.00 0.00 70.33 69.70 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 1.25 0.34 3.75 3.38 0.00 -0.62 -4.98 105.19 108.31 1r4p n GLY 46 Ca 0.14 -0.68 -0.41 0.00 0.00 0.00 0.00 46.02 45.06 1r4p n GLY 46 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1r4p s MET 47 N -3.74 4.51 0.05 1.61 0.00 -0.07 -4.85 119.30 116.80 1r4p s MET 47 Ca 0.00 1.89 -0.30 0.00 0.00 0.00 0.00 55.69 57.28 1r4p s MET 47 Cb 0.00 -3.21 -0.05 0.00 0.00 0.00 0.00 34.83 31.57 1r4p s MET 47 CO 0.00 -0.03 1.07 0.99 0.00 0.00 0.00 175.02 177.05 1r4p s THR 48 N -0.41 4.43 0.23 10.11 2.01 -1.26 -4.35 115.64 126.40 1r4p s THR 48 Ca 0.51 1.80 0.12 0.00 0.31 0.00 0.00 61.69 64.42 1r4p s THR 48 Cb -0.33 -4.15 -0.05 0.00 0.01 0.00 0.00 72.50 67.98 1r4p s THR 48 CO 0.39 0.17 -0.22 0.68 -0.69 0.00 0.00 174.62 174.95 1r4p s VAL 49 N 0.81 2.38 -0.23 3.82 -7.23 -0.08 -0.44 120.40 119.44 1r4p s VAL 49 Ca 0.54 -2.20 0.02 0.00 -1.81 0.00 0.00 61.98 58.53 1r4p s VAL 49 Cb -0.25 -2.19 0.05 0.00 0.56 0.00 0.00 36.38 34.54 1r4p s VAL 49 CO 0.29 -0.26 -0.13 -0.89 -0.31 0.00 0.00 175.10 173.80 1r4p s THR 50 N -2.07 2.05 -0.08 5.32 2.01 0.09 -1.00 115.64 121.95 1r4p s THR 50 Ca 0.25 -1.34 -0.27 0.00 0.31 0.00 0.00 61.69 60.63 1r4p s THR 50 Cb -0.06 -2.07 -0.02 0.00 0.01 0.00 0.00 72.50 70.35 1r4p s THR 50 CO 0.12 0.16 0.88 -0.63 -0.69 0.00 0.00 174.62 174.46 1r4p s ILE 51 N 1.20 4.90 -0.11 1.82 -1.09 0.37 -1.02 121.20 127.28 1r4p s ILE 51 Ca -0.04 1.81 0.04 0.00 -2.23 0.00 0.00 60.65 60.23 1r4p s ILE 51 Cb -0.17 -4.21 0.00 0.00 -1.58 0.00 0.00 42.46 36.50 1r4p s ILE 51 CO -0.08 0.12 -0.23 -0.54 -1.23 0.00 0.00 174.94 172.98 1r4p s LYS 52 N 1.45 3.06 0.27 2.79 1.02 -0.73 -0.45 119.74 127.15 1r4p s LYS 52 Ca 0.44 -0.87 -0.21 0.00 0.02 0.00 0.00 55.97 55.36 1r4p s LYS 52 Cb -0.19 -2.33 0.02 0.00 -0.52 0.00 0.00 37.83 34.81 1r4p s LYS 52 CO 0.20 0.15 0.70 0.45 -0.92 0.00 0.00 175.35 175.93 1r4p s SER 53 N 0.41 -0.26 0.28 2.83 0.15 -0.16 -4.02 113.70 112.92 1r4p s SER 53 Ca -0.17 -0.60 0.08 0.00 0.70 0.00 0.00 55.95 55.96 1r4p s SER 53 Cb -0.18 0.71 0.39 0.00 -1.71 0.00 0.00 66.02 65.24 1r4p s SER 53 CO 0.07 -1.32 1.64 0.28 1.20 0.00 0.00 173.24 175.12 1r4p h SER 54 N 2.02 0.13 -4.26 5.45 0.02 -1.85 0.23 113.55 115.29 1r4p h SER 54 Ca -0.20 -0.07 -0.42 0.00 -0.84 0.00 0.00 61.79 60.26 1r4p h SER 54 Cb 1.25 -0.04 -0.26 0.00 0.14 0.00 0.00 62.40 63.49 1r4p h SER 54 CO 0.24 0.65 -0.79 0.42 -1.14 0.00 0.00 176.83 176.21 1r4p s THR 55 N -3.84 0.94 -1.08 -2.27 -4.23 -1.26 -4.78 115.64 99.12 1r4p s THR 55 Ca -0.03 -0.77 0.11 0.00 -1.18 0.00 0.00 61.69 59.81 1r4p s THR 55 Cb 0.13 -0.84 0.03 0.00 1.34 0.00 0.00 72.50 73.15 1r4p s THR 55 CO 0.77 0.07 0.71 0.00 -0.54 0.00 0.00 174.62 175.63 1r4p s GLU 57 N -1.23 2.64 0.30 0.00 8.01 -1.26 -4.87 118.70 122.29 1r4p s GLU 57 Ca 0.10 2.08 -0.29 0.00 0.01 0.00 0.00 54.97 56.87 1r4p s GLU 57 Cb 0.09 -1.90 -0.13 0.00 -4.31 0.00 0.00 34.13 27.88 1r4p s GLU 57 CO 0.22 -1.53 1.34 0.45 0.01 0.00 0.00 175.26 175.74 1r4p n SER 58 N -1.78 2.78 0.00 -0.19 2.88 -1.26 -1.35 113.62 114.70 1r4p n SER 58 Ca 0.15 1.18 0.00 0.00 -1.33 0.00 0.00 58.87 58.87 1r4p n SER 58 Cb 0.48 -1.47 0.00 0.00 -0.75 0.00 0.00 64.21 62.47 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 1.32 0.29 3.82 0.46 0.00 0.21 -4.87 105.19 106.43 1r4p n GLY 59 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 1r4p n GLY 59 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1r4p s SER 60 N -2.51 5.69 0.38 1.61 0.01 -0.45 -4.77 113.70 113.66 1r4p s SER 60 Ca 0.00 1.63 0.03 0.00 1.31 0.00 0.00 55.95 58.92 1r4p s SER 60 Cb 0.00 -2.50 -0.01 0.00 0.21 0.00 0.00 66.02 63.72 1r4p s SER 60 CO 0.00 -1.23 0.56 -0.83 0.41 0.00 0.00 173.24 172.15 1r4p s GLY 61 N -3.57 1.55 0.04 3.44 0.00 -1.26 -1.31 107.32 106.21 1r4p s GLY 61 Ca 0.59 -1.24 -0.10 0.00 0.00 0.00 0.00 44.72 43.97 1r4p s GLY 61 CO 0.49 -1.12 0.20 -0.11 0.00 0.00 0.00 173.10 172.56 1r4p s PHE 62 N -2.35 0.04 -0.02 1.90 -0.71 0.47 -4.68 117.98 112.62 1r4p s PHE 62 Ca 0.46 -0.24 0.03 0.00 -1.04 0.00 0.00 56.93 56.14 1r4p s PHE 62 Cb -0.10 -0.02 0.05 0.00 -1.21 0.00 0.00 43.02 41.74 1r4p s PHE 62 CO 0.34 -0.42 0.86 0.00 -1.34 0.00 0.00 175.22 174.66 1r4p n ALA 63 N 0.74 1.71 -3.37 1.99 0.00 -1.26 -4.28 120.51 116.04 1r4p n ALA 63 Ca -0.19 -1.10 -0.12 0.00 0.00 0.00 0.00 53.44 52.03 1r4p n ALA 63 Cb 0.59 -0.23 -0.12 0.00 0.00 0.00 0.00 19.45 19.69 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 -0.63 0.29 -0.25 0.00 2.12 -1.26 -5.04 118.70 113.94 1r4p s GLU 64 Ca 0.05 0.46 -0.23 0.00 0.36 0.00 0.00 54.97 55.61 1r4p s GLU 64 Cb 0.05 0.06 0.06 0.00 0.26 0.00 0.00 34.13 34.56 1r4p s GLU 64 CO 0.00 -0.08 0.66 0.54 -0.54 0.00 0.00 175.26 175.84 1r4p s VAL 65 N 0.57 0.00 -0.09 3.70 0.11 -1.26 -1.77 120.40 121.66 1r4p s VAL 65 Ca -0.03 -0.00 -0.01 0.00 -2.93 0.00 0.00 61.98 59.00 1r4p s VAL 65 Cb -0.05 -0.92 -0.03 0.00 -1.53 0.00 0.00 36.38 33.85 1r4p s VAL 65 CO -0.03 -0.00 -0.02 -1.58 -3.33 0.00 0.00 175.10 170.13 1r4p s GLN 66 N 0.34 2.98 -0.33 1.54 0.74 -0.19 -4.93 119.66 119.81 1r4p s GLN 66 Ca -0.00 -0.46 -0.09 0.00 0.05 0.00 0.00 55.36 54.85 1r4p s GLN 66 Cb -0.05 -2.74 0.01 0.00 1.10 0.00 0.00 33.01 31.33 1r4p s GLN 66 CO 0.01 0.64 0.16 -0.06 -0.55 0.00 0.00 175.29 175.49 1r4p s PHE 67 N -0.73 3.20 0.34 1.67 0.08 -1.26 -0.73 117.98 120.55 1r4p s PHE 67 Ca 0.11 -0.83 0.05 0.00 0.12 0.00 0.00 56.93 56.38 1r4p s PHE 67 Cb -0.11 -2.36 -0.01 0.00 -0.57 0.00 0.00 43.02 39.96 1r4p s PHE 67 CO 0.02 -0.56 0.50 -0.80 -0.10 0.00 0.00 175.22 174.28 1r4p s ASN 68 N 1.56 6.01 0.00 1.36 0.01 0.42 -5.02 114.94 119.28 1r4p s ASN 68 Ca 0.03 -0.03 0.20 0.00 -0.71 0.00 0.00 52.86 52.35 1r4p s ASN 68 Cb -0.18 -1.42 0.46 0.00 0.41 0.00 0.00 41.25 40.52 1r4p s ASN 68 CO 0.05 -0.43 1.39 0.59 -1.51 0.00 0.00 177.10 177.20 1r4p n ASN 69 N -1.70 3.45 0.00 -1.22 3.02 -1.26 -4.03 115.26 113.52 1r4p n ASN 69 Ca -0.01 -1.96 0.00 0.00 -0.03 0.00 0.00 54.58 52.57 1r4p n ASN 69 Cb 0.58 -0.31 0.00 0.00 -0.61 0.00 0.00 39.78 39.43 1r4p n ASN 69 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11