#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 6.24 0.17 0.00 1.01 -1.26 -1.59 116.67 121.24 1r4p s ASP 2 Ca 0.00 -1.10 -0.13 0.00 0.71 0.00 0.00 52.55 52.03 1r4p s ASP 2 Cb 0.00 -2.43 0.08 0.00 1.01 0.00 0.00 42.92 41.57 1r4p s ASP 2 CO 0.00 -1.43 1.79 0.00 0.21 0.00 0.00 175.17 175.75 1r4p s ALA 4 N -5.90 -1.77 -0.05 0.00 0.00 -1.13 -4.98 121.76 107.93 1r4p s ALA 4 Ca -0.13 1.39 -0.02 0.00 0.00 0.00 0.00 51.96 53.20 1r4p s ALA 4 Cb 0.13 -0.12 0.04 0.00 0.00 0.00 0.00 23.12 23.16 1r4p s ALA 4 CO 0.77 -0.37 0.11 0.21 0.00 0.00 0.00 175.76 176.48 1r4p s LYS 5 N -1.03 0.06 0.00 0.00 2.20 -1.26 -0.22 119.74 119.49 1r4p s LYS 5 Ca -0.10 0.32 0.00 0.00 -0.36 0.00 0.00 55.97 55.83 1r4p s LYS 5 Cb -0.01 -0.20 0.00 0.00 -1.51 0.00 0.00 37.83 36.12 1r4p s LYS 5 CO 0.09 -0.16 0.00 0.41 -0.36 0.00 0.00 175.35 175.33 1r4p n GLY 6 N 4.18 -0.91 3.90 5.54 0.00 -0.60 -4.56 105.19 112.73 1r4p n GLY 6 Ca -0.27 -1.16 -0.29 0.00 0.00 0.00 0.00 46.02 44.30 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 -1.97 3.67 -0.15 1.61 -0.14 -1.26 -0.47 119.74 121.04 1r4p s LYS 7 Ca 0.00 0.17 -0.29 0.00 -1.36 0.00 0.00 55.97 54.49 1r4p s LYS 7 Cb 0.00 -2.53 -0.01 0.00 -1.68 0.00 0.00 37.83 33.61 1r4p s LYS 7 CO 0.00 0.09 1.09 0.42 -0.76 0.00 0.00 175.35 176.18 1r4p s ILE 8 N -2.25 4.59 0.04 2.17 1.01 -1.26 -4.19 121.20 121.31 1r4p s ILE 8 Ca 0.47 1.89 -0.08 0.00 0.00 0.00 0.00 60.65 62.93 1r4p s ILE 8 Cb -0.10 -4.22 -0.30 0.00 0.01 0.00 0.00 42.46 37.84 1r4p s ILE 8 CO 0.32 -0.08 1.01 -0.33 0.00 0.00 0.00 174.94 175.86 1r4p h GLU 9 N 7.43 0.35 -3.03 2.79 5.08 -0.67 -3.47 114.58 123.05 1r4p h GLU 9 Ca -0.27 -0.59 0.01 0.00 -1.00 0.00 0.00 59.36 57.50 1r4p h GLU 9 Cb 1.11 0.22 -0.10 0.00 0.50 0.00 0.00 28.75 30.49 1r4p h GLU 9 CO 0.92 1.26 0.20 -0.59 -1.00 0.00 0.00 179.01 179.79 1r4p s PHE 10 N -2.63 -0.39 0.21 4.33 -0.12 -1.25 -4.97 117.98 113.17 1r4p s PHE 10 Ca -0.07 0.09 0.03 0.00 -0.05 0.00 0.00 56.93 56.92 1r4p s PHE 10 Cb 0.06 0.59 -0.05 0.00 -0.63 0.00 0.00 43.02 42.99 1r4p s PHE 10 CO 0.89 -0.98 -0.00 -1.54 -0.05 0.00 0.00 175.22 173.54 1r4p s SER 11 N -2.82 1.56 -0.25 1.98 1.04 -1.26 -1.44 113.70 112.52 1r4p s SER 11 Ca 0.05 -1.20 -0.14 0.00 0.48 0.00 0.00 55.95 55.14 1r4p s SER 11 Cb -0.03 0.06 0.08 0.00 0.10 0.00 0.00 66.02 66.23 1r4p s SER 11 CO -0.06 -0.53 0.62 -0.75 0.98 0.00 0.00 173.24 173.50 1r4p s LYS 12 N -3.88 0.62 -0.08 4.02 2.20 0.97 -4.95 119.74 118.63 1r4p s LYS 12 Ca 0.26 1.14 -0.24 0.00 -0.36 0.00 0.00 55.97 56.78 1r4p s LYS 12 Cb 0.06 0.15 -0.03 0.00 -1.51 0.00 0.00 37.83 36.50 1r4p s LYS 12 CO 0.07 -0.16 0.71 -0.47 -0.36 0.00 0.00 175.35 175.14 1r4p s TYR 13 N 1.69 3.56 0.23 4.03 6.14 -1.26 0.25 117.35 131.98 1r4p s TYR 13 Ca -0.09 1.25 0.06 0.00 0.64 0.00 0.00 57.07 58.92 1r4p s TYR 13 Cb -0.06 -2.82 -0.04 0.00 0.42 0.00 0.00 41.96 39.46 1r4p s TYR 13 CO -0.18 0.06 0.21 -0.80 0.64 0.00 0.00 175.55 175.48 1r4p s ASN 14 N 0.84 5.69 0.64 4.32 0.01 -0.19 -4.97 114.94 121.28 1r4p s ASN 14 Ca 0.38 -0.15 0.40 0.00 -0.71 0.00 0.00 52.86 52.77 1r4p s ASN 14 Cb -0.18 -1.51 2.21 0.00 0.41 0.00 0.00 41.25 42.18 1r4p s ASN 14 CO 0.18 -0.02 2.32 -0.33 -1.51 0.00 0.00 177.10 177.74 1r4p h GLU 15 N 1.67 0.00 -0.58 -0.60 5.08 -1.97 0.64 114.58 118.82 1r4p h GLU 15 Ca -0.49 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 1r4p h GLU 15 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1r4p h GLU 15 CO 0.62 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.23 1r4p n ASP 16 N -3.31 3.17 -0.58 1.42 5.75 -1.26 -4.89 116.55 116.84 1r4p n ASP 16 Ca -0.03 -2.24 -0.08 0.00 -0.01 0.00 0.00 54.79 52.44 1r4p n ASP 16 Cb 0.09 -0.44 -0.03 0.00 -1.03 0.00 0.00 41.12 39.70 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 0.71 -4.59 -4.68 -1.12 8.00 0.22 -5.01 116.55 110.07 1r4p n ASP 17 Ca 0.17 0.19 -0.23 0.00 0.71 0.00 0.00 54.79 55.62 1r4p n ASP 17 Cb 0.59 -2.76 0.11 0.00 -0.02 0.00 0.00 41.12 39.04 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 -2.06 2.05 -0.02 -3.53 -4.23 -1.26 -4.86 115.64 101.74 1r4p s THR 18 Ca 0.00 -0.66 0.00 0.00 -1.18 0.00 0.00 61.69 59.86 1r4p s THR 18 Cb 0.00 -2.39 0.02 0.00 1.34 0.00 0.00 72.50 71.47 1r4p s THR 18 CO 0.00 0.00 0.02 0.12 -0.54 0.00 0.00 174.62 174.22 1r4p s PHE 19 N -3.12 0.07 0.01 3.99 5.36 0.11 -1.02 117.98 123.38 1r4p s PHE 19 Ca 0.67 0.09 0.03 0.00 -0.96 0.00 0.00 56.93 56.76 1r4p s PHE 19 Cb -0.04 -0.23 -0.03 0.00 -0.34 0.00 0.00 43.02 42.37 1r4p s PHE 19 CO 0.44 -0.08 -0.06 0.99 -1.46 0.00 0.00 175.22 175.05 1r4p s THR 20 N 0.89 3.68 0.03 0.12 2.01 0.14 -0.31 115.64 122.19 1r4p s THR 20 Ca -0.08 -0.78 0.03 0.00 0.31 0.00 0.00 61.69 61.18 1r4p s THR 20 Cb -0.11 -2.61 -0.02 0.00 0.01 0.00 0.00 72.50 69.78 1r4p s THR 20 CO -0.02 0.38 -0.10 0.68 -0.69 0.00 0.00 174.62 174.87 1r4p s VAL 21 N -1.01 0.76 -0.20 3.82 -7.23 -0.02 -0.02 120.40 116.50 1r4p s VAL 21 Ca 0.17 -0.89 -0.04 0.00 -1.81 0.00 0.00 61.98 59.42 1r4p s VAL 21 Cb -0.11 -0.73 -0.02 0.00 0.56 0.00 0.00 36.38 36.08 1r4p s VAL 21 CO 0.08 -0.12 -0.03 -0.75 -0.31 0.00 0.00 175.10 173.97 1r4p s LYS 22 N -1.12 3.50 -0.04 4.82 2.20 -0.52 -1.10 119.74 127.48 1r4p s LYS 22 Ca -0.03 -0.58 0.02 0.00 -0.36 0.00 0.00 55.97 55.02 1r4p s LYS 22 Cb -0.08 -3.01 0.01 0.00 -1.51 0.00 0.00 37.83 33.24 1r4p s LYS 22 CO 0.01 -0.06 -0.08 0.08 -0.36 0.00 0.00 175.35 174.94 1r4p s VAL 23 N 1.14 0.78 -1.59 4.02 1.01 0.90 0.18 120.40 126.85 1r4p s VAL 23 Ca 0.02 -0.30 -0.11 0.00 0.00 0.00 0.00 61.98 61.59 1r4p s VAL 23 Cb -0.15 -0.74 0.09 0.00 0.00 0.00 0.00 36.38 35.59 1r4p s VAL 23 CO 0.00 0.27 0.65 -0.67 0.00 0.00 0.00 175.10 175.35 1r4p n ASP 24 N 3.73 -2.23 0.00 3.32 2.03 -1.26 -0.86 116.55 121.28 1r4p n ASP 24 Ca -0.23 -1.01 0.00 0.00 0.52 0.00 0.00 54.79 54.08 1r4p n ASP 24 Cb 0.52 -2.89 0.00 0.00 -0.72 0.00 0.00 41.12 38.03 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 0.70 3.30 0.27 0.00 -1.26 -5.01 105.19 101.53 1r4p n GLY 25 Ca -0.07 0.00 -0.27 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 -0.20 1.41 -0.11 1.61 1.02 -0.04 -5.11 119.74 118.32 1r4p s LYS 26 Ca 0.00 -1.08 -0.05 0.00 0.02 0.00 0.00 55.97 54.86 1r4p s LYS 26 Cb 0.00 -1.62 -0.04 0.00 -0.52 0.00 0.00 37.83 35.65 1r4p s LYS 26 CO 0.00 0.40 0.10 -1.21 -0.92 0.00 0.00 175.35 173.72 1r4p s GLU 27 N -1.48 3.30 0.06 1.68 2.02 -1.26 -0.07 118.70 122.96 1r4p s GLU 27 Ca 0.09 -0.22 0.00 0.00 0.02 0.00 0.00 54.97 54.87 1r4p s GLU 27 Cb -0.09 -3.07 -0.03 0.00 0.10 0.00 0.00 34.13 31.03 1r4p s GLU 27 CO 0.03 0.75 -0.05 0.71 0.02 0.00 0.00 175.26 176.72 1r4p s TYR 28 N -0.97 0.60 0.11 1.61 2.02 -0.26 0.87 117.35 121.33 1r4p s TYR 28 Ca 0.14 -0.83 0.04 0.00 -0.37 0.00 0.00 57.07 56.06 1r4p s TYR 28 Cb -0.12 -0.39 -0.04 0.00 -0.40 0.00 0.00 41.96 41.02 1r4p s TYR 28 CO 0.03 -0.23 -0.10 1.67 -1.57 0.00 0.00 175.55 175.35 1r4p s TRP 29 N -2.93 1.14 0.02 2.71 1.48 -0.63 -0.84 118.94 119.88 1r4p s TRP 29 Ca 0.01 -0.68 0.02 0.00 -1.06 0.00 0.00 56.10 54.39 1r4p s TRP 29 Cb 0.01 -0.61 -0.02 0.00 -1.16 0.00 0.00 33.47 31.69 1r4p s TRP 29 CO -0.05 0.03 -0.07 -0.08 -4.06 0.00 0.00 176.95 172.72 1r4p s THR 30 N -2.69 0.51 -2.73 0.66 -1.32 0.57 -1.10 115.64 109.54 1r4p s THR 30 Ca 0.09 -0.70 0.24 0.00 -1.21 0.00 0.00 61.69 60.10 1r4p s THR 30 Cb -0.01 -0.51 0.33 0.00 -1.51 0.00 0.00 72.50 70.79 1r4p s THR 30 CO 0.00 -0.15 1.39 -1.54 -2.21 0.00 0.00 174.62 172.11 1r4p n SER 31 N 2.13 2.81 -4.61 8.08 3.41 -1.26 -0.71 113.62 123.46 1r4p n SER 31 Ca -0.18 -1.90 -0.43 0.00 -0.26 0.00 0.00 58.87 56.09 1r4p n SER 31 Cb 0.56 -0.08 -0.02 0.00 -0.26 0.00 0.00 64.21 64.41 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 -1.85 3.85 0.32 4.33 1.81 -1.26 -4.90 118.95 121.26 1r4p s ARG 32 Ca 0.33 0.71 0.01 0.00 -1.72 0.00 0.00 55.73 55.06 1r4p s ARG 32 Cb 0.21 -3.83 0.54 0.00 -0.45 0.00 0.00 34.95 31.41 1r4p s ARG 32 CO 0.31 -1.13 1.96 -1.49 -0.68 0.00 0.00 175.30 174.26 1r4p h TRP 33 N 8.69 0.86 0.00 -0.53 6.55 -1.89 -1.83 115.95 127.80 1r4p h TRP 33 Ca -0.22 -0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.61 1r4p h TRP 33 Cb 1.06 -0.28 0.00 0.00 -0.86 0.00 0.00 29.16 29.08 1r4p h TRP 33 CO 0.89 0.59 0.00 -0.91 -1.05 0.00 0.00 178.44 177.96 1r4p h ASN 34 N 0.90 0.00 1.11 -3.49 4.21 -2.00 -0.78 115.58 115.52 1r4p h ASN 34 Ca 0.23 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.74 1r4p h ASN 34 Cb -0.01 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.19 1r4p h ASN 34 CO -0.04 0.00 0.00 -0.07 -1.29 0.00 0.00 177.43 176.03 1r4p h LEU 35 N 0.00 0.00 0.69 1.61 3.38 -1.74 -3.18 115.31 116.07 1r4p h LEU 35 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1r4p h LEU 35 Cb 0.32 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.07 1r4p h LEU 35 CO 0.00 0.00 -0.33 1.56 0.09 0.00 0.00 178.44 179.76 1r4p h GLN 36 N 0.00 -0.89 -0.23 1.13 4.20 -1.23 0.46 115.11 118.55 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 0.56 0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.52 1r4p h GLN 36 CO 0.00 -0.58 -0.20 -1.00 -0.67 0.00 0.00 178.83 176.38 1r4p h PRO 37 N -0.97 0.41 -0.51 1.46 0.13 -1.74 0.60 132.00 131.37 1r4p h PRO 37 Ca -0.09 -0.13 -0.02 0.00 -0.87 0.00 0.00 66.00 64.88 1r4p h PRO 37 Cb 0.72 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 31.79 1r4p h PRO 37 CO 0.16 0.60 0.23 -0.07 -0.23 0.00 0.00 178.00 178.68 1r4p h LEU 38 N 0.37 0.69 -0.25 1.56 3.38 -1.48 0.18 115.31 119.76 1r4p h LEU 38 Ca 0.06 -0.14 -0.15 0.00 0.09 0.00 0.00 57.88 57.73 1r4p h LEU 38 Cb 0.57 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1r4p h LEU 38 CO 0.04 0.64 -0.44 -0.07 0.09 0.00 0.00 178.44 178.70 1r4p h LEU 39 N 0.69 0.82 -0.83 1.67 3.38 0.20 -1.29 115.31 119.95 1r4p h LEU 39 Ca 0.17 -0.53 -0.05 0.00 0.09 0.00 0.00 57.88 57.56 1r4p h LEU 39 Cb 0.15 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1r4p h LEU 39 CO -0.02 1.20 0.24 -0.61 0.09 0.00 0.00 178.44 179.34 1r4p h GLN 40 N 0.47 1.11 -0.48 1.13 4.15 -0.68 0.14 115.11 120.95 1r4p h GLN 40 Ca 0.02 -0.22 0.00 0.00 0.77 0.00 0.00 58.65 59.21 1r4p h GLN 40 Cb 1.04 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 28.54 1r4p h GLN 40 CO 0.10 0.93 0.30 1.03 -1.93 0.00 0.00 178.83 179.26 1r4p h SER 41 N 1.07 0.57 -0.71 -0.69 0.87 -0.55 0.55 113.55 114.66 1r4p h SER 41 Ca 0.24 -0.04 0.03 0.00 -1.23 0.00 0.00 61.79 60.78 1r4p h SER 41 Cb 0.28 -0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 62.05 1r4p h SER 41 CO -0.01 0.44 0.45 0.00 -0.53 0.00 0.00 176.83 177.18 1r4p h ALA 42 N 1.15 0.93 -0.33 6.23 0.00 -0.64 0.13 119.26 126.74 1r4p h ALA 42 Ca 0.17 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1r4p h ALA 42 Cb -0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1r4p h ALA 42 CO -0.03 0.23 0.14 0.37 0.00 0.00 0.00 179.25 179.96 1r4p h GLN 43 N 0.87 0.48 -0.46 0.00 4.15 -0.25 0.80 115.11 120.70 1r4p h GLN 43 Ca 0.28 -0.08 -0.08 0.00 0.77 0.00 0.00 58.65 59.55 1r4p h GLN 43 Cb 0.01 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.60 1r4p h GLN 43 CO -0.11 0.46 -0.03 -0.07 -1.93 0.00 0.00 178.83 177.15 1r4p h LEU 44 N 0.39 0.76 -1.69 -2.39 3.38 -0.30 -2.87 115.31 112.58 1r4p h LEU 44 Ca 0.11 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1r4p h LEU 44 Cb 0.15 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1r4p h LEU 44 CO -0.01 0.85 0.00 0.35 0.09 0.00 0.00 178.44 179.72 1r4p n THR 45 N -4.20 0.37 -2.16 0.22 -2.24 -0.02 -4.93 114.28 101.32 1r4p n THR 45 Ca 0.02 -0.55 -0.08 0.00 -2.27 0.00 0.00 64.05 61.17 1r4p n THR 45 Cb 0.32 0.63 -0.00 0.00 -2.10 0.00 0.00 70.33 69.18 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 1.30 0.02 3.78 3.38 0.00 -0.51 -5.00 105.19 108.17 1r4p n GLY 46 Ca 0.17 -0.53 -0.34 0.00 0.00 0.00 0.00 46.02 45.32 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 -4.42 3.38 -0.09 1.61 -1.94 0.16 -4.84 119.30 113.17 1r4p s MET 47 Ca 0.00 1.46 -0.24 0.00 -1.71 0.00 0.00 55.69 55.19 1r4p s MET 47 Cb 0.00 -2.02 -0.03 0.00 2.01 0.00 0.00 34.83 34.79 1r4p s MET 47 CO 0.00 -0.79 0.76 0.99 -0.01 0.00 0.00 175.02 175.96 1r4p s THR 48 N -2.01 4.99 0.01 2.05 2.01 0.99 -4.40 115.64 119.28 1r4p s THR 48 Ca 0.69 1.54 0.04 0.00 0.31 0.00 0.00 61.69 64.27 1r4p s THR 48 Cb -0.20 -4.09 -0.03 0.00 0.01 0.00 0.00 72.50 68.19 1r4p s THR 48 CO 0.29 0.18 -0.10 0.68 -0.69 0.00 0.00 174.62 174.97 1r4p s VAL 49 N 1.20 3.37 -0.26 3.82 -7.23 0.38 -1.00 120.40 120.68 1r4p s VAL 49 Ca 0.39 -0.90 0.03 0.00 -1.81 0.00 0.00 61.98 59.69 1r4p s VAL 49 Cb -0.18 -2.45 0.06 0.00 0.56 0.00 0.00 36.38 34.38 1r4p s VAL 49 CO 0.17 0.38 -0.10 -0.89 -0.31 0.00 0.00 175.10 174.36 1r4p s THR 50 N -0.97 2.15 -0.06 5.32 2.01 0.04 -1.56 115.64 122.57 1r4p s THR 50 Ca 0.16 -1.67 -0.29 0.00 0.31 0.00 0.00 61.69 60.20 1r4p s THR 50 Cb -0.11 -2.28 -0.02 0.00 0.01 0.00 0.00 72.50 70.10 1r4p s THR 50 CO 0.07 -0.07 0.98 -0.63 -0.69 0.00 0.00 174.62 174.28 1r4p s ILE 51 N 1.10 4.83 0.02 1.82 -1.09 0.69 -0.56 121.20 128.01 1r4p s ILE 51 Ca -0.08 2.02 0.07 0.00 -2.23 0.00 0.00 60.65 60.43 1r4p s ILE 51 Cb -0.20 -4.30 -0.02 0.00 -1.58 0.00 0.00 42.46 36.36 1r4p s ILE 51 CO -0.05 0.08 -0.22 -0.54 -1.23 0.00 0.00 174.94 172.98 1r4p s LYS 52 N 1.56 1.56 -0.15 2.79 1.02 -0.11 0.06 119.74 126.46 1r4p s LYS 52 Ca 0.49 -0.90 -0.33 0.00 0.02 0.00 0.00 55.97 55.25 1r4p s LYS 52 Cb -0.19 -1.62 0.13 0.00 -0.52 0.00 0.00 37.83 35.63 1r4p s LYS 52 CO 0.22 0.43 1.13 0.45 -0.92 0.00 0.00 175.35 176.66 1r4p s SER 53 N -0.95 -0.19 0.11 2.83 0.15 -0.62 -3.78 113.70 111.24 1r4p s SER 53 Ca 0.08 0.02 -0.23 0.00 0.70 0.00 0.00 55.95 56.52 1r4p s SER 53 Cb -0.09 0.20 -0.08 0.00 -1.71 0.00 0.00 66.02 64.34 1r4p s SER 53 CO 0.01 -0.32 1.69 0.28 1.20 0.00 0.00 173.24 176.10 1r4p h SER 54 N 2.02 -0.31 -4.03 5.45 0.02 -1.91 -2.03 113.55 112.76 1r4p h SER 54 Ca -0.12 0.05 -0.69 0.00 -0.84 0.00 0.00 61.79 60.19 1r4p h SER 54 Cb 1.18 0.13 -0.23 0.00 0.14 0.00 0.00 62.40 63.63 1r4p h SER 54 CO 0.25 -0.15 -0.85 0.42 -1.14 0.00 0.00 176.83 175.36 1r4p s THR 55 N -6.16 2.45 -0.09 -2.27 -4.23 -1.26 -4.62 115.64 99.46 1r4p s THR 55 Ca -0.14 -1.44 0.14 0.00 -1.18 0.00 0.00 61.69 59.07 1r4p s THR 55 Cb 0.08 -2.04 0.21 0.00 1.34 0.00 0.00 72.50 72.09 1r4p s THR 55 CO 0.67 0.25 1.10 0.00 -0.54 0.00 0.00 174.62 176.10 1r4p s GLU 57 N -2.12 4.22 0.23 0.00 2.56 -1.26 -4.92 118.70 117.40 1r4p s GLU 57 Ca 0.23 2.10 -0.31 0.00 0.00 0.00 0.00 54.97 56.98 1r4p s GLU 57 Cb 0.20 -2.93 -0.14 0.00 2.00 0.00 0.00 34.13 33.26 1r4p s GLU 57 CO 0.02 -0.26 1.27 0.45 -0.56 0.00 0.00 175.26 176.19 1r4p n SER 58 N 0.52 2.11 0.00 -1.70 2.88 -1.26 -1.19 113.62 114.97 1r4p n SER 58 Ca 0.02 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.71 1r4p n SER 58 Cb 0.43 -1.34 0.00 0.00 -0.75 0.00 0.00 64.21 62.55 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 1.93 0.73 3.92 0.46 0.00 0.25 -4.94 105.19 107.55 1r4p n GLY 59 Ca 0.12 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.88 1r4p n GLY 59 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1r4p s SER 60 N -2.12 6.34 0.50 1.61 0.15 -0.34 -4.79 113.70 115.06 1r4p s SER 60 Ca 0.00 0.61 -0.07 0.00 0.70 0.00 0.00 55.95 57.19 1r4p s SER 60 Cb 0.00 -2.10 -0.04 0.00 -1.71 0.00 0.00 66.02 62.17 1r4p s SER 60 CO 0.00 -0.30 0.84 -0.83 1.20 0.00 0.00 173.24 174.15 1r4p s GLY 61 N -3.73 1.58 0.12 9.45 0.00 -1.26 -1.61 107.32 111.87 1r4p s GLY 61 Ca 0.42 -0.38 -0.16 0.00 0.00 0.00 0.00 44.72 44.60 1r4p s GLY 61 CO 0.35 -0.19 0.40 -0.11 0.00 0.00 0.00 173.10 173.55 1r4p s PHE 62 N -2.80 -0.22 0.00 1.90 -0.71 -0.26 -4.84 117.98 111.05 1r4p s PHE 62 Ca 0.49 -0.07 0.00 0.00 -1.04 0.00 0.00 56.93 56.32 1r4p s PHE 62 Cb -0.10 0.26 0.00 0.00 -1.21 0.00 0.00 43.02 41.96 1r4p s PHE 62 CO 0.45 -0.69 0.69 0.00 -1.34 0.00 0.00 175.22 174.34 1r4p n ALA 63 N -0.14 1.91 -3.66 1.99 0.00 -1.26 -4.33 120.51 115.02 1r4p n ALA 63 Ca -0.16 -0.45 -0.18 0.00 0.00 0.00 0.00 53.44 52.65 1r4p n ALA 63 Cb 0.63 -0.21 -0.16 0.00 0.00 0.00 0.00 19.45 19.71 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 0.50 -0.26 0.00 2.12 -1.25 -5.08 118.70 114.73 1r4p s GLU 64 Ca 0.00 -0.00 -0.20 0.00 0.36 0.00 0.00 54.97 55.13 1r4p s GLU 64 Cb 0.00 -0.61 0.07 0.00 0.26 0.00 0.00 34.13 33.86 1r4p s GLU 64 CO 0.00 -0.11 0.67 0.54 -0.54 0.00 0.00 175.26 175.83 1r4p s VAL 65 N 0.93 -0.00 0.01 3.70 0.11 -1.26 -0.94 120.40 122.96 1r4p s VAL 65 Ca -0.11 0.01 -0.02 0.00 -2.93 0.00 0.00 61.98 58.93 1r4p s VAL 65 Cb -0.14 -0.95 -0.04 0.00 -1.53 0.00 0.00 36.38 33.72 1r4p s VAL 65 CO -0.01 0.00 0.19 -1.58 -3.33 0.00 0.00 175.10 170.37 1r4p s GLN 66 N 0.94 3.42 -0.07 1.54 0.74 0.28 -4.91 119.66 121.59 1r4p s GLN 66 Ca -0.05 -0.37 0.03 0.00 0.05 0.00 0.00 55.36 55.03 1r4p s GLN 66 Cb -0.05 -3.07 0.00 0.00 1.10 0.00 0.00 33.01 31.00 1r4p s GLN 66 CO -0.08 0.65 -0.18 -0.06 -0.55 0.00 0.00 175.29 175.07 1r4p s PHE 67 N -1.38 1.94 -0.01 1.67 0.08 -1.26 -0.78 117.98 118.24 1r4p s PHE 67 Ca 0.29 -0.71 0.02 0.00 0.12 0.00 0.00 56.93 56.65 1r4p s PHE 67 Cb -0.13 -1.33 -0.00 0.00 -0.57 0.00 0.00 43.02 40.99 1r4p s PHE 67 CO 0.21 -0.30 -0.07 -0.80 -0.10 0.00 0.00 175.22 174.17 1r4p s ASN 68 N 0.38 0.90 0.50 1.36 -0.87 -0.17 -4.99 114.94 112.04 1r4p s ASN 68 Ca -0.13 -0.14 0.20 0.00 -1.57 0.00 0.00 52.86 51.22 1r4p s ASN 68 Cb -0.16 -0.17 1.27 0.00 -0.02 0.00 0.00 41.25 42.17 1r4p s ASN 68 CO 0.05 0.07 2.08 0.78 -2.57 0.00 0.00 177.10 177.50 1r4p h ASN 69 N 6.19 0.00 0.00 -1.22 2.35 -1.92 0.28 115.58 121.25 1r4p h ASN 69 Ca -0.31 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.44 1r4p h ASN 69 Cb 1.18 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.55 1r4p h ASN 69 CO 0.49 0.11 0.00 0.47 -1.65 0.00 0.00 177.43 176.85