#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 0.03 0.00 1.01 -1.26 -1.27 116.67 121.60 1r4p s ASP 2 Ca 0.00 -0.08 -0.10 0.00 0.71 0.00 0.00 52.55 53.08 1r4p s ASP 2 Cb 0.00 -2.40 -0.32 0.00 1.01 0.00 0.00 42.92 41.21 1r4p s ASP 2 CO 0.00 -0.95 0.97 0.00 0.21 0.00 0.00 175.17 175.40 1r4p s ALA 4 N -2.61 -1.47 -0.08 0.00 0.00 -1.15 -4.99 121.76 111.46 1r4p s ALA 4 Ca -0.09 1.24 -0.03 0.00 0.00 0.00 0.00 51.96 53.09 1r4p s ALA 4 Cb 0.05 -0.32 0.04 0.00 0.00 0.00 0.00 23.12 22.89 1r4p s ALA 4 CO 0.90 -0.32 0.15 0.21 0.00 0.00 0.00 175.76 176.71 1r4p s LYS 5 N -0.70 0.05 0.00 0.00 2.20 -1.26 -0.58 119.74 119.46 1r4p s LYS 5 Ca -0.08 0.48 0.00 0.00 -0.36 0.00 0.00 55.97 56.02 1r4p s LYS 5 Cb -0.03 -0.24 0.00 0.00 -1.51 0.00 0.00 37.83 36.06 1r4p s LYS 5 CO 0.06 -0.25 0.00 0.41 -0.36 0.00 0.00 175.35 175.21 1r4p n GLY 6 N 4.88 -1.69 3.87 5.54 0.00 -0.33 -4.70 105.19 112.75 1r4p n GLY 6 Ca -0.13 -1.12 -0.31 0.00 0.00 0.00 0.00 46.02 44.45 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 -1.54 3.83 -0.19 1.61 1.02 -1.26 -0.27 119.74 122.94 1r4p s LYS 7 Ca 0.00 0.51 -0.29 0.00 0.02 0.00 0.00 55.97 56.21 1r4p s LYS 7 Cb 0.00 -2.40 -0.01 0.00 -0.52 0.00 0.00 37.83 34.89 1r4p s LYS 7 CO 0.00 0.01 1.32 0.42 -0.92 0.00 0.00 175.35 176.18 1r4p s ILE 8 N -2.27 4.17 0.08 2.17 1.01 -1.26 -4.38 121.20 120.72 1r4p s ILE 8 Ca 0.52 1.40 -0.01 0.00 0.00 0.00 0.00 60.65 62.55 1r4p s ILE 8 Cb -0.10 -3.98 -0.26 0.00 0.01 0.00 0.00 42.46 38.12 1r4p s ILE 8 CO 0.28 -0.22 1.14 -0.33 0.00 0.00 0.00 174.94 175.81 1r4p h GLU 9 N 8.67 0.20 -2.90 2.79 5.08 -0.92 -3.46 114.58 124.04 1r4p h GLU 9 Ca -0.28 -0.34 -0.00 0.00 -1.00 0.00 0.00 59.36 57.74 1r4p h GLU 9 Cb 1.11 0.13 -0.12 0.00 0.50 0.00 0.00 28.75 30.36 1r4p h GLU 9 CO 0.99 1.14 0.25 -0.59 -1.00 0.00 0.00 179.01 179.80 1r4p s PHE 10 N -2.66 -0.51 0.22 4.33 -0.12 -1.25 -4.97 117.98 113.01 1r4p s PHE 10 Ca -0.03 0.31 0.07 0.00 -0.05 0.00 0.00 56.93 57.23 1r4p s PHE 10 Cb 0.08 0.56 -0.05 0.00 -0.63 0.00 0.00 43.02 42.98 1r4p s PHE 10 CO 0.86 -0.81 -0.12 -1.54 -0.05 0.00 0.00 175.22 173.56 1r4p s SER 11 N -2.71 2.54 -0.16 1.98 1.04 -1.26 -1.37 113.70 113.75 1r4p s SER 11 Ca 0.02 -1.06 -0.11 0.00 0.48 0.00 0.00 55.95 55.27 1r4p s SER 11 Cb -0.01 -0.13 0.05 0.00 0.10 0.00 0.00 66.02 66.03 1r4p s SER 11 CO -0.12 -0.23 0.41 -0.75 0.98 0.00 0.00 173.24 173.53 1r4p s LYS 12 N -3.68 0.42 -0.16 4.02 2.20 0.58 -4.96 119.74 118.17 1r4p s LYS 12 Ca 0.24 0.71 -0.19 0.00 -0.36 0.00 0.00 55.97 56.37 1r4p s LYS 12 Cb 0.01 0.06 -0.03 0.00 -1.51 0.00 0.00 37.83 36.36 1r4p s LYS 12 CO 0.08 -0.12 0.54 -0.47 -0.36 0.00 0.00 175.35 175.02 1r4p s TYR 13 N 1.00 3.43 0.34 4.03 6.14 -1.26 -0.04 117.35 130.99 1r4p s TYR 13 Ca -0.06 0.88 0.02 0.00 0.64 0.00 0.00 57.07 58.55 1r4p s TYR 13 Cb -0.07 -2.67 -0.02 0.00 0.42 0.00 0.00 41.96 39.62 1r4p s TYR 13 CO -0.08 -0.02 0.51 -0.80 0.64 0.00 0.00 175.55 175.81 1r4p s ASN 14 N 0.97 6.19 0.50 4.32 0.01 0.13 -4.98 114.94 122.07 1r4p s ASN 14 Ca 0.27 0.26 0.18 0.00 -0.71 0.00 0.00 52.86 52.86 1r4p s ASN 14 Cb -0.16 -1.81 1.25 0.00 0.41 0.00 0.00 41.25 40.94 1r4p s ASN 14 CO 0.11 -0.33 2.09 -0.08 -1.51 0.00 0.00 177.10 177.39 1r4p h GLU 15 N 0.81 0.00 -0.52 -0.60 4.81 -1.97 0.11 114.58 117.22 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 1.23 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.61 1r4p h GLU 15 CO 0.60 0.08 0.00 -0.40 -0.73 0.00 0.00 179.01 178.56 1r4p n ASP 16 N -4.29 2.22 0.00 1.04 5.75 -1.26 -4.88 116.55 115.13 1r4p n ASP 16 Ca -0.03 -2.16 0.00 0.00 -0.01 0.00 0.00 54.79 52.59 1r4p n ASP 16 Cb 0.16 -0.36 0.00 0.00 -1.03 0.00 0.00 41.12 39.89 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 0.36 -1.72 -4.40 -1.12 8.00 0.37 -5.01 116.55 113.03 1r4p n ASP 17 Ca 0.11 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.33 1r4p n ASP 17 Cb 0.42 -1.13 0.15 0.00 -0.02 0.00 0.00 41.12 40.55 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 -2.42 2.05 -0.02 -3.53 -4.23 -1.26 -4.79 115.64 101.43 1r4p s THR 18 Ca 0.00 -0.12 0.01 0.00 -1.18 0.00 0.00 61.69 60.40 1r4p s THR 18 Cb 0.00 -2.92 0.01 0.00 1.34 0.00 0.00 72.50 70.93 1r4p s THR 18 CO 0.00 0.00 -0.04 0.12 -0.54 0.00 0.00 174.62 174.16 1r4p s PHE 19 N -3.67 0.54 -0.01 3.99 5.36 0.14 -0.69 117.98 123.64 1r4p s PHE 19 Ca 0.70 -0.11 0.06 0.00 -0.96 0.00 0.00 56.93 56.61 1r4p s PHE 19 Cb -0.06 -0.46 -0.03 0.00 -0.34 0.00 0.00 43.02 42.14 1r4p s PHE 19 CO 0.50 -0.10 -0.17 0.99 -1.46 0.00 0.00 175.22 174.98 1r4p s THR 20 N 0.47 2.80 0.09 0.12 2.01 0.95 -0.39 115.64 121.70 1r4p s THR 20 Ca -0.05 -0.97 0.08 0.00 0.31 0.00 0.00 61.69 61.06 1r4p s THR 20 Cb -0.09 -2.12 -0.03 0.00 0.01 0.00 0.00 72.50 70.27 1r4p s THR 20 CO -0.00 0.49 -0.20 0.68 -0.69 0.00 0.00 174.62 174.89 1r4p s VAL 21 N -0.79 1.66 -0.23 3.82 -7.23 0.09 -0.31 120.40 117.42 1r4p s VAL 21 Ca 0.13 -1.48 -0.07 0.00 -1.81 0.00 0.00 61.98 58.74 1r4p s VAL 21 Cb -0.10 -1.51 -0.03 0.00 0.56 0.00 0.00 36.38 35.30 1r4p s VAL 21 CO 0.02 -0.04 0.06 -0.75 -0.31 0.00 0.00 175.10 174.08 1r4p s LYS 22 N -1.80 3.70 -0.03 4.82 2.20 -0.47 -0.83 119.74 127.33 1r4p s LYS 22 Ca 0.06 -0.46 0.01 0.00 -0.36 0.00 0.00 55.97 55.21 1r4p s LYS 22 Cb -0.10 -3.26 0.02 0.00 -1.51 0.00 0.00 37.83 32.99 1r4p s LYS 22 CO 0.04 -0.07 -0.02 0.08 -0.36 0.00 0.00 175.35 175.02 1r4p s VAL 23 N 1.28 0.33 -1.49 4.02 1.01 0.25 -0.14 120.40 125.67 1r4p s VAL 23 Ca 0.05 -0.01 -0.09 0.00 0.00 0.00 0.00 61.98 61.92 1r4p s VAL 23 Cb -0.15 -0.39 0.06 0.00 0.00 0.00 0.00 36.38 35.91 1r4p s VAL 23 CO 0.03 0.17 0.81 -0.67 0.00 0.00 0.00 175.10 175.45 1r4p n ASP 24 N 4.03 -3.11 0.00 3.32 2.03 -1.26 -1.60 116.55 119.95 1r4p n ASP 24 Ca -0.26 -0.85 0.00 0.00 0.52 0.00 0.00 54.79 54.20 1r4p n ASP 24 Cb 0.51 -3.66 0.00 0.00 -0.72 0.00 0.00 41.12 37.25 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 -1.67 0.45 3.25 0.27 0.00 -1.26 -4.99 105.19 101.24 1r4p n GLY 25 Ca -0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.56 1.36 -0.12 1.61 1.02 -0.63 -5.03 119.74 117.39 1r4p s LYS 26 Ca 0.00 -0.96 -0.09 0.00 0.02 0.00 0.00 55.97 54.94 1r4p s LYS 26 Cb 0.00 -1.49 -0.04 0.00 -0.52 0.00 0.00 37.83 35.78 1r4p s LYS 26 CO 0.00 0.38 0.18 -1.21 -0.92 0.00 0.00 175.35 173.77 1r4p s GLU 27 N -1.26 3.66 0.00 1.68 2.02 -1.26 -0.58 118.70 122.97 1r4p s GLU 27 Ca 0.07 -0.07 0.02 0.00 0.02 0.00 0.00 54.97 55.01 1r4p s GLU 27 Cb -0.09 -3.24 -0.01 0.00 0.10 0.00 0.00 34.13 30.89 1r4p s GLU 27 CO 0.02 0.66 -0.08 0.71 0.02 0.00 0.00 175.26 176.60 1r4p s TYR 28 N -0.73 0.67 0.20 1.61 2.02 -0.01 0.47 117.35 121.58 1r4p s TYR 28 Ca 0.15 -0.18 0.10 0.00 -0.37 0.00 0.00 57.07 56.77 1r4p s TYR 28 Cb -0.12 -0.42 -0.04 0.00 -0.40 0.00 0.00 41.96 40.97 1r4p s TYR 28 CO 0.04 -0.02 -0.17 1.67 -1.57 0.00 0.00 175.55 175.50 1r4p s TRP 29 N -0.36 2.44 -0.00 2.71 1.48 -0.64 -0.73 118.94 123.85 1r4p s TRP 29 Ca 0.01 -0.30 0.01 0.00 -1.06 0.00 0.00 56.10 54.76 1r4p s TRP 29 Cb -0.04 -1.18 -0.00 0.00 -1.16 0.00 0.00 33.47 31.08 1r4p s TRP 29 CO -0.00 0.53 -0.02 -0.08 -4.06 0.00 0.00 176.95 173.32 1r4p s THR 30 N -1.79 0.16 -2.64 0.66 -1.32 0.48 -0.26 115.64 110.92 1r4p s THR 30 Ca 0.24 -0.10 0.24 0.00 -1.21 0.00 0.00 61.69 60.85 1r4p s THR 30 Cb -0.08 -0.14 0.36 0.00 -1.51 0.00 0.00 72.50 71.13 1r4p s THR 30 CO 0.13 0.03 1.41 -1.54 -2.21 0.00 0.00 174.62 172.44 1r4p n SER 31 N 3.01 2.87 -4.61 8.08 3.41 -1.26 -0.69 113.62 124.43 1r4p n SER 31 Ca -0.13 -1.91 -0.43 0.00 -0.26 0.00 0.00 58.87 56.14 1r4p n SER 31 Cb 0.59 -0.12 -0.02 0.00 -0.26 0.00 0.00 64.21 64.40 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 -1.76 3.59 0.43 4.33 1.81 -1.26 -4.85 118.95 121.24 1r4p s ARG 32 Ca 0.34 1.23 0.09 0.00 -1.72 0.00 0.00 55.73 55.67 1r4p s ARG 32 Cb 0.21 -4.05 0.96 0.00 -0.45 0.00 0.00 34.95 31.61 1r4p s ARG 32 CO 0.31 -1.54 2.07 -1.49 -0.68 0.00 0.00 175.30 173.96 1r4p h TRP 33 N 11.10 0.41 0.00 -0.53 4.06 -1.94 -2.26 115.95 126.79 1r4p h TRP 33 Ca -0.30 0.01 -0.03 0.00 2.06 0.00 0.00 58.89 60.63 1r4p h TRP 33 Cb 1.13 -0.14 -0.00 0.00 -1.00 0.00 0.00 29.16 29.15 1r4p h TRP 33 CO 0.95 0.25 -0.13 -2.95 -3.56 0.00 0.00 178.44 172.99 1r4p h ASN 34 N 0.43 0.00 1.43 -3.49 -1.07 -2.01 -2.96 115.58 107.92 1r4p h ASN 34 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.50 1r4p h ASN 34 Cb 0.01 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.26 1r4p h ASN 34 CO -0.03 0.13 0.00 -0.07 0.07 0.00 0.00 177.43 177.53 1r4p h LEU 35 N 0.00 0.00 0.54 6.14 3.38 -1.80 -3.37 115.31 120.20 1r4p h LEU 35 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1r4p h LEU 35 Cb 0.28 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 1r4p h LEU 35 CO 0.02 0.00 -0.30 1.56 0.09 0.00 0.00 178.44 179.81 1r4p h GLN 36 N 0.00 -0.76 -0.24 1.13 4.20 -1.64 0.33 115.11 118.13 1r4p h GLN 36 Ca 0.00 0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.70 1r4p h GLN 36 Cb 0.72 0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.65 1r4p h GLN 36 CO 0.00 -0.50 -0.12 -1.00 -0.67 0.00 0.00 178.83 176.54 1r4p h PRO 37 N -0.79 0.39 -0.56 1.46 0.13 -1.81 -1.03 132.00 129.79 1r4p h PRO 37 Ca -0.07 -0.10 -0.07 0.00 -0.87 0.00 0.00 66.00 64.89 1r4p h PRO 37 Cb 0.63 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 31.69 1r4p h PRO 37 CO 0.09 0.52 0.07 -0.07 -0.23 0.00 0.00 178.00 178.38 1r4p h LEU 38 N 0.37 0.91 -0.47 1.56 3.38 -1.60 0.15 115.31 119.61 1r4p h LEU 38 Ca 0.07 -0.27 -0.16 0.00 0.09 0.00 0.00 57.88 57.62 1r4p h LEU 38 Cb 0.44 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1r4p h LEU 38 CO 0.02 0.95 -0.42 -0.07 0.09 0.00 0.00 178.44 179.01 1r4p h LEU 39 N 0.83 0.86 -0.89 1.67 3.38 -0.05 -0.41 115.31 120.70 1r4p h LEU 39 Ca 0.17 -0.40 -0.08 0.00 0.09 0.00 0.00 57.88 57.65 1r4p h LEU 39 Cb 0.44 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1r4p h LEU 39 CO 0.01 1.16 -0.07 -0.61 0.09 0.00 0.00 178.44 179.03 1r4p h GLN 40 N 0.64 0.74 -0.69 1.13 4.15 -0.83 -0.20 115.11 120.06 1r4p h GLN 40 Ca 0.05 -0.22 -0.06 0.00 0.77 0.00 0.00 58.65 59.19 1r4p h GLN 40 Cb 0.99 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 28.58 1r4p h GLN 40 CO 0.09 0.80 0.21 0.77 -1.93 0.00 0.00 178.83 178.77 1r4p h SER 41 N 0.69 1.01 -0.50 -0.69 0.02 -0.44 0.89 113.55 114.53 1r4p h SER 41 Ca 0.13 -0.21 -0.01 0.00 -0.84 0.00 0.00 61.79 60.85 1r4p h SER 41 Cb 0.52 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 1r4p h SER 41 CO 0.03 0.95 0.26 0.00 -1.14 0.00 0.00 176.83 176.93 1r4p h ALA 42 N 1.09 0.64 -0.49 3.77 0.00 -0.51 -1.27 119.26 122.49 1r4p h ALA 42 Ca 0.22 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.05 1r4p h ALA 42 Cb 0.31 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1r4p h ALA 42 CO -0.01 0.19 0.29 0.37 0.00 0.00 0.00 179.25 180.09 1r4p h GLN 43 N 0.66 0.57 -0.58 0.00 4.15 -0.59 0.17 115.11 119.49 1r4p h GLN 43 Ca 0.17 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.55 1r4p h GLN 43 Cb 0.09 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 27.62 1r4p h GLN 43 CO -0.02 0.37 0.31 -0.07 -1.93 0.00 0.00 178.83 177.49 1r4p h LEU 44 N 0.58 0.72 -2.17 -2.39 3.38 -0.48 -2.74 115.31 112.20 1r4p h LEU 44 Ca 0.20 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1r4p h LEU 44 Cb 0.02 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.59 1r4p h LEU 44 CO -0.09 0.59 0.00 0.35 0.09 0.00 0.00 178.44 179.38 1r4p n THR 45 N -4.38 0.36 -2.30 0.22 -2.24 -0.51 -4.96 114.28 100.47 1r4p n THR 45 Ca 0.05 -0.68 -0.11 0.00 -2.27 0.00 0.00 64.05 61.04 1r4p n THR 45 Cb 0.11 1.10 -0.00 0.00 -2.10 0.00 0.00 70.33 69.44 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 1.29 -0.07 3.77 3.38 0.00 0.35 -4.96 105.19 108.95 1r4p n GLY 46 Ca 0.16 -0.39 -0.38 0.00 0.00 0.00 0.00 46.02 45.40 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 -4.67 4.13 -0.10 1.61 -1.94 0.19 -4.90 119.30 113.62 1r4p s MET 47 Ca 0.03 1.82 -0.30 0.00 -1.71 0.00 0.00 55.69 55.54 1r4p s MET 47 Cb -0.01 -2.73 -0.02 0.00 2.01 0.00 0.00 34.83 34.08 1r4p s MET 47 CO 0.04 -0.25 1.08 0.99 -0.01 0.00 0.00 175.02 176.86 1r4p s THR 48 N -1.40 4.60 0.13 2.05 2.01 -1.20 -4.31 115.64 117.53 1r4p s THR 48 Ca 0.56 1.89 0.07 0.00 0.31 0.00 0.00 61.69 64.51 1r4p s THR 48 Cb -0.30 -4.22 -0.04 0.00 0.01 0.00 0.00 72.50 67.95 1r4p s THR 48 CO 0.38 -0.02 -0.04 0.68 -0.69 0.00 0.00 174.62 174.93 1r4p s VAL 49 N 2.23 3.62 -0.23 3.82 -7.23 0.63 -0.57 120.40 122.67 1r4p s VAL 49 Ca 0.50 -1.30 -0.00 0.00 -1.81 0.00 0.00 61.98 59.37 1r4p s VAL 49 Cb -0.20 -2.76 0.03 0.00 0.56 0.00 0.00 36.38 34.01 1r4p s VAL 49 CO 0.18 0.01 -0.10 -0.89 -0.31 0.00 0.00 175.10 173.99 1r4p s THR 50 N -1.47 2.57 -0.18 5.32 2.01 0.03 -1.19 115.64 122.73 1r4p s THR 50 Ca 0.25 -1.09 -0.22 0.00 0.31 0.00 0.00 61.69 60.94 1r4p s THR 50 Cb -0.10 -2.28 -0.02 0.00 0.01 0.00 0.00 72.50 70.10 1r4p s THR 50 CO 0.17 0.25 0.66 -0.63 -0.69 0.00 0.00 174.62 174.38 1r4p s ILE 51 N 1.28 5.01 -0.11 1.82 -1.09 0.26 -1.29 121.20 127.07 1r4p s ILE 51 Ca -0.00 1.26 0.02 0.00 -2.23 0.00 0.00 60.65 59.70 1r4p s ILE 51 Cb -0.16 -3.97 -0.01 0.00 -1.58 0.00 0.00 42.46 36.74 1r4p s ILE 51 CO -0.07 0.12 -0.19 -0.54 -1.23 0.00 0.00 174.94 173.03 1r4p s LYS 52 N 1.82 3.18 0.20 2.79 1.02 -0.81 -0.00 119.74 127.93 1r4p s LYS 52 Ca 0.31 -0.80 -0.23 0.00 0.02 0.00 0.00 55.97 55.27 1r4p s LYS 52 Cb -0.16 -2.44 0.05 0.00 -0.52 0.00 0.00 37.83 34.76 1r4p s LYS 52 CO 0.11 0.20 0.71 0.45 -0.92 0.00 0.00 175.35 175.90 1r4p s SER 53 N 0.33 -0.37 0.27 2.83 0.15 -0.40 -3.94 113.70 112.57 1r4p s SER 53 Ca -0.15 -0.32 0.26 0.00 0.70 0.00 0.00 55.95 56.43 1r4p s SER 53 Cb -0.17 0.63 0.77 0.00 -1.71 0.00 0.00 66.02 65.54 1r4p s SER 53 CO 0.08 -1.12 1.75 0.77 1.20 0.00 0.00 173.24 175.92 1r4p h SER 54 N 2.00 0.00 -4.10 5.45 4.64 -1.85 -0.36 113.55 119.32 1r4p h SER 54 Ca -0.25 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.71 1r4p h SER 54 Cb 1.27 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 63.09 1r4p h SER 54 CO 0.29 0.00 -0.76 0.42 -0.87 0.00 0.00 176.83 175.91 1r4p s THR 55 N -3.17 0.60 -0.88 2.95 -4.23 -1.26 -4.84 115.64 104.81 1r4p s THR 55 Ca 0.09 -0.46 0.07 0.00 -1.18 0.00 0.00 61.69 60.21 1r4p s THR 55 Cb 0.11 -0.53 0.07 0.00 1.34 0.00 0.00 72.50 73.48 1r4p s THR 55 CO 0.58 0.08 0.76 0.00 -0.54 0.00 0.00 174.62 175.50 1r4p s GLU 57 N -0.63 3.03 0.37 0.00 8.01 -1.26 -4.88 118.70 123.35 1r4p s GLU 57 Ca 0.09 2.09 -0.27 0.00 0.01 0.00 0.00 54.97 56.89 1r4p s GLU 57 Cb 0.06 -2.13 -0.11 0.00 -4.31 0.00 0.00 34.13 27.64 1r4p s GLU 57 CO 0.09 -1.23 1.31 0.45 0.01 0.00 0.00 175.26 175.89 1r4p n SER 58 N -1.27 2.82 0.00 -0.19 2.88 -1.26 -1.56 113.62 115.05 1r4p n SER 58 Ca 0.12 1.18 0.00 0.00 -1.33 0.00 0.00 58.87 58.84 1r4p n SER 58 Cb 0.47 -1.51 0.00 0.00 -0.75 0.00 0.00 64.21 62.42 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 0.74 0.53 3.83 0.46 0.00 0.18 -4.89 105.19 106.03 1r4p n GLY 59 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.79 6.33 0.47 1.61 0.01 -0.60 -4.79 113.70 113.94 1r4p s SER 60 Ca 0.00 1.65 0.00 0.00 1.31 0.00 0.00 55.95 58.92 1r4p s SER 60 Cb 0.00 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.72 1r4p s SER 60 CO 0.00 -0.79 0.69 -0.83 0.41 0.00 0.00 173.24 172.72 1r4p s GLY 61 N -3.00 1.61 0.14 3.44 0.00 -1.26 -1.62 107.32 106.63 1r4p s GLY 61 Ca 0.60 -1.10 -0.12 0.00 0.00 0.00 0.00 44.72 44.11 1r4p s GLY 61 CO 0.34 -0.91 0.31 -0.11 0.00 0.00 0.00 173.10 172.73 1r4p s PHE 62 N -2.59 0.11 0.00 1.90 -0.71 0.64 -4.74 117.98 112.59 1r4p s PHE 62 Ca 0.50 -0.49 0.00 0.00 -1.04 0.00 0.00 56.93 55.90 1r4p s PHE 62 Cb -0.10 0.07 0.00 0.00 -1.21 0.00 0.00 43.02 41.78 1r4p s PHE 62 CO 0.38 -0.69 0.24 0.00 -1.34 0.00 0.00 175.22 173.81 1r4p n ALA 63 N -0.18 0.49 -3.39 1.99 0.00 -1.26 -4.31 120.51 113.84 1r4p n ALA 63 Ca -0.12 -0.24 -0.21 0.00 0.00 0.00 0.00 53.44 52.87 1r4p n ALA 63 Cb 0.63 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.92 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 1.10 -0.18 0.00 2.12 -1.25 -5.04 118.70 115.44 1r4p s GLU 64 Ca 0.00 -0.25 -0.18 0.00 0.36 0.00 0.00 54.97 54.90 1r4p s GLU 64 Cb 0.00 -1.00 0.05 0.00 0.26 0.00 0.00 34.13 33.44 1r4p s GLU 64 CO 0.00 0.01 0.51 0.54 -0.54 0.00 0.00 175.26 175.78 1r4p s VAL 65 N 0.60 0.00 -0.07 3.70 0.11 -1.26 -1.93 120.40 121.56 1r4p s VAL 65 Ca -0.10 -0.01 -0.01 0.00 -2.93 0.00 0.00 61.98 58.93 1r4p s VAL 65 Cb -0.13 -0.72 -0.03 0.00 -1.53 0.00 0.00 36.38 33.97 1r4p s VAL 65 CO 0.01 -0.01 0.00 -1.58 -3.33 0.00 0.00 175.10 170.20 1r4p s GLN 66 N 0.20 2.93 -0.32 1.54 0.74 -0.41 -4.92 119.66 119.43 1r4p s GLN 66 Ca -0.01 -0.45 -0.03 0.00 0.05 0.00 0.00 55.36 54.92 1r4p s GLN 66 Cb -0.04 -2.76 0.05 0.00 1.10 0.00 0.00 33.01 31.37 1r4p s GLN 66 CO 0.01 0.69 0.04 -0.06 -0.55 0.00 0.00 175.29 175.42 1r4p s PHE 67 N -0.93 3.29 0.39 1.67 0.08 -1.26 -0.79 117.98 120.43 1r4p s PHE 67 Ca 0.15 -1.80 0.08 0.00 0.12 0.00 0.00 56.93 55.47 1r4p s PHE 67 Cb -0.11 -2.23 -0.01 0.00 -0.57 0.00 0.00 43.02 40.09 1r4p s PHE 67 CO 0.04 -0.80 0.42 -0.80 -0.10 0.00 0.00 175.22 173.99 1r4p s ASN 68 N 1.33 5.37 0.00 1.36 -0.87 0.27 -5.00 114.94 117.40 1r4p s ASN 68 Ca -0.03 -0.54 0.25 0.00 -1.57 0.00 0.00 52.86 50.96 1r4p s ASN 68 Cb -0.20 -0.75 0.41 0.00 -0.02 0.00 0.00 41.25 40.69 1r4p s ASN 68 CO -0.00 -0.60 1.35 0.59 -2.57 0.00 0.00 177.10 175.87 1r4p n ASN 69 N -1.61 1.19 0.00 -1.22 3.02 -1.26 -3.23 115.26 112.16 1r4p n ASN 69 Ca 0.03 -0.96 0.15 0.00 -0.03 0.00 0.00 54.58 53.77 1r4p n ASN 69 Cb 0.60 0.34 0.89 0.00 -0.61 0.00 0.00 39.78 40.99 1r4p n ASN 69 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74