#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y00 s LEU 2 N 0.00 3.03 -0.40 4.03 1.02 -1.26 -5.09 118.68 120.02 1y00 s LEU 2 Ca 0.00 -1.16 -0.11 0.00 0.02 0.00 0.00 54.13 52.88 1y00 s LEU 2 Cb 0.00 -1.53 0.05 0.00 0.02 0.00 0.00 46.19 44.73 1y00 s LEU 2 CO 0.00 -0.13 0.24 -0.51 0.02 0.00 0.00 176.35 175.97 1y00 s ILE 3 N 1.16 4.48 -0.11 -0.59 2.07 -1.26 -5.06 121.20 121.89 1y00 s ILE 3 Ca -0.05 -1.08 0.02 0.00 -1.41 0.00 0.00 60.65 58.14 1y00 s ILE 3 Cb -0.18 -3.60 0.01 0.00 0.13 0.00 0.00 42.46 38.82 1y00 s ILE 3 CO -0.08 -0.36 -0.17 -0.76 -1.91 0.00 0.00 174.94 171.66 1y00 s LEU 4 N 1.51 1.82 0.52 8.50 2.01 -1.26 -5.11 118.68 126.66 1y00 s LEU 4 Ca 0.02 -0.46 -0.23 0.00 0.01 0.00 0.00 54.13 53.47 1y00 s LEU 4 Cb -0.21 -1.16 -0.06 0.00 0.01 0.00 0.00 46.19 44.77 1y00 s LEU 4 CO 0.05 0.04 1.38 0.41 1.01 0.00 0.00 176.35 179.24 1y00 n THR 5 N 4.10 3.53 -3.64 5.49 -1.04 -1.26 -5.02 114.28 116.44 1y00 n THR 5 Ca -0.19 -0.50 -0.15 0.00 -2.04 0.00 0.00 64.05 61.16 1y00 n THR 5 Cb 0.51 -1.72 -0.08 0.00 -1.82 0.00 0.00 70.33 67.23 1y00 n THR 5 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 1y00 s ARG 6 N -2.75 0.82 0.00 -2.82 3.00 -1.26 -5.09 118.95 110.84 1y00 s ARG 6 Ca 0.68 0.35 0.00 0.00 -1.00 0.00 0.00 55.73 55.76 1y00 s ARG 6 Cb -0.43 0.38 0.00 0.00 0.00 0.00 0.00 34.95 34.91 1y00 s ARG 6 CO 0.52 -0.20 0.00 -2.13 0.00 0.00 0.00 175.30 173.49 1y00 n ARG 7 N 1.69 0.00 0.00 5.12 0.63 -1.26 -4.78 116.66 118.06 1y00 n ARG 7 Ca -0.18 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.75 1y00 n ARG 7 Cb 0.56 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.47 1y00 n ARG 7 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 1y00 n VAL 8 N 0.00 0.00 0.00 5.15 0.24 0.13 -4.65 118.33 119.20 1y00 n VAL 8 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1y00 n VAL 8 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 1y00 n VAL 8 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1y00 n GLY 9 N 0.00 -1.88 0.00 7.63 0.00 -1.24 -4.79 105.19 104.91 1y00 n GLY 9 Ca 0.00 0.96 0.00 0.00 0.00 0.00 0.00 46.02 46.98 1y00 n GLY 9 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1y00 n GLU 10 N 0.00 0.66 0.00 1.61 2.13 -1.26 -4.97 120.64 118.81 1y00 n GLU 10 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1y00 n GLU 10 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1y00 n GLU 10 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 1y00 n THR 11 N -0.77 0.00 -4.18 6.31 5.66 -1.25 -4.61 114.28 115.43 1y00 n THR 11 Ca 0.00 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.72 1y00 n THR 11 Cb 0.00 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 68.70 1y00 n THR 11 CO 0.00 0.00 0.00 -1.48 -3.05 0.00 0.00 175.07 170.54 1y00 s LEU 12 N 0.00 3.31 -0.30 1.09 2.34 -1.08 -4.91 118.68 119.13 1y00 s LEU 12 Ca 0.00 -0.32 -0.01 0.00 0.06 0.00 0.00 54.13 53.85 1y00 s LEU 12 Cb 0.00 -2.02 0.10 0.00 -0.56 0.00 0.00 46.19 43.71 1y00 s LEU 12 CO 0.00 0.13 0.10 -0.32 -1.06 0.00 0.00 176.35 175.20 1y00 s MET 13 N -2.61 0.65 -0.17 1.48 -2.45 -1.26 -1.72 119.30 113.21 1y00 s MET 13 Ca 0.26 -0.99 -0.03 0.00 -1.25 0.00 0.00 55.69 53.68 1y00 s MET 13 Cb -0.10 -1.89 -0.02 0.00 1.25 0.00 0.00 34.83 34.07 1y00 s MET 13 CO 0.18 -0.98 -0.07 -1.50 1.05 0.00 0.00 175.02 173.70 1y00 s ILE 14 N 1.68 3.50 0.00 10.11 -1.16 -1.26 -4.88 121.20 129.19 1y00 s ILE 14 Ca 0.09 -0.49 0.00 0.00 -0.51 0.00 0.00 60.65 59.75 1y00 s ILE 14 Cb -0.17 -2.53 0.00 0.00 0.61 0.00 0.00 42.46 40.37 1y00 s ILE 14 CO -0.26 0.48 0.00 0.61 -2.81 0.00 0.00 174.94 172.96 1y00 n GLY 15 N 3.90 1.30 0.26 1.50 0.00 -1.26 -4.64 105.19 106.25 1y00 n GLY 15 Ca -0.18 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.13 1y00 n GLY 15 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1y00 n ASP 16 N 0.00 0.00 0.00 1.61 8.00 -1.26 -5.02 116.55 119.87 1y00 n ASP 16 Ca 0.00 -0.71 0.00 0.00 0.71 0.00 0.00 54.79 54.79 1y00 n ASP 16 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1y00 n ASP 16 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1y00 n GLU 17 N 0.00 0.00 0.00 -1.24 0.28 -1.26 -5.18 120.64 113.24 1y00 n GLU 17 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1y00 n GLU 17 Cb 0.36 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.23 1y00 n GLU 17 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 177.13 178.30 1y00 n VAL 18 N 0.00 0.00 0.00 3.84 0.24 -1.26 -4.34 118.33 116.80 1y00 n VAL 18 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1y00 n VAL 18 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 1y00 n VAL 18 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1y00 n THR 19 N 0.00 0.00 -4.03 3.34 -2.24 0.55 -4.84 114.28 107.07 1y00 n THR 19 Ca 0.00 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.47 1y00 n THR 19 Cb 0.00 0.00 -0.16 0.00 -2.10 0.00 0.00 70.33 68.07 1y00 n THR 19 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1y00 s VAL 20 N 0.00 1.80 -0.28 2.28 1.01 -0.70 -0.40 120.40 124.11 1y00 s VAL 20 Ca 0.00 -1.13 -0.09 0.00 0.00 0.00 0.00 61.98 60.76 1y00 s VAL 20 Cb 0.00 -1.85 -0.02 0.00 0.00 0.00 0.00 36.38 34.51 1y00 s VAL 20 CO 0.00 0.17 0.12 0.28 0.00 0.00 0.00 175.10 175.67 1y00 s THR 21 N 1.32 4.59 -1.26 3.92 -1.32 -0.26 -2.63 115.64 120.01 1y00 s THR 21 Ca -0.02 -0.20 -0.06 0.00 -1.21 0.00 0.00 61.69 60.20 1y00 s THR 21 Cb -0.17 -3.23 0.17 0.00 -1.51 0.00 0.00 72.50 67.77 1y00 s THR 21 CO -0.08 0.22 2.10 1.33 -2.21 0.00 0.00 174.62 175.98 1y00 n VAL 22 N 4.97 5.08 0.00 5.08 0.24 -1.26 -1.89 118.33 130.54 1y00 n VAL 22 Ca -0.15 -4.66 0.00 0.00 -2.04 0.00 0.00 64.34 57.49 1y00 n VAL 22 Cb 0.51 -2.11 0.00 0.00 -1.47 0.00 0.00 33.84 30.77 1y00 n VAL 22 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 1y00 n LEU 23 N 2.14 0.00 0.00 1.34 -0.00 -1.26 -4.59 117.00 114.63 1y00 n LEU 23 Ca 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.52 1y00 n LEU 23 Cb 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.71 1y00 n LEU 23 CO 0.71 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.71 1y00 n GLY 24 N -0.64 2.20 3.77 -3.96 0.00 -1.26 0.17 105.19 105.47 1y00 n GLY 24 Ca 0.00 -0.43 -0.39 0.00 0.00 0.00 0.00 46.02 45.19 1y00 n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1y00 s VAL 25 N -0.25 4.60 0.00 1.61 1.01 -1.26 -4.87 120.40 121.24 1y00 s VAL 25 Ca 0.00 1.59 0.00 0.00 0.00 0.00 0.00 61.98 63.57 1y00 s VAL 25 Cb 0.00 -4.09 0.00 0.00 0.00 0.00 0.00 36.38 32.29 1y00 s VAL 25 CO 0.00 0.45 0.00 1.17 0.00 0.00 0.00 175.10 176.72 1y00 n LYS 26 N 2.20 0.00 0.00 2.72 3.00 -1.26 -4.62 118.16 120.19 1y00 n LYS 26 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.26 1y00 n LYS 26 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.53 1y00 n LYS 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1y00 n GLY 27 N -0.27 -1.61 0.13 3.14 0.00 -1.26 -4.73 105.19 100.60 1y00 n GLY 27 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1y00 n GLY 27 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1y00 n ASN 28 N 0.00 2.09 -4.68 1.61 3.02 -1.26 -4.88 115.26 111.16 1y00 n ASN 28 Ca 0.00 0.24 -0.35 0.00 -0.03 0.00 0.00 54.58 54.44 1y00 n ASN 28 Cb 0.00 -0.88 -0.09 0.00 -0.61 0.00 0.00 39.78 38.20 1y00 n ASN 28 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1y00 s GLN 29 N -2.53 3.35 -0.36 3.52 2.00 -1.26 -5.08 119.66 119.29 1y00 s GLN 29 Ca -0.23 -0.37 -0.19 0.00 -2.00 0.00 0.00 55.36 52.57 1y00 s GLN 29 Cb 0.07 -2.95 0.00 0.00 0.80 0.00 0.00 33.01 30.92 1y00 s GLN 29 CO 0.74 0.56 0.54 0.08 -0.50 0.00 0.00 175.29 176.72 1y00 s VAL 30 N -0.47 4.98 -0.67 1.34 1.01 -1.26 -4.69 120.40 120.63 1y00 s VAL 30 Ca 0.09 0.32 -0.27 0.00 0.00 0.00 0.00 61.98 62.12 1y00 s VAL 30 Cb -0.12 -4.01 0.01 0.00 0.00 0.00 0.00 36.38 32.26 1y00 s VAL 30 CO 0.02 -0.28 1.51 -0.60 0.00 0.00 0.00 175.10 175.75 1y00 s ARG 31 N 2.47 3.00 -0.04 2.72 6.06 -1.26 -4.94 118.95 126.97 1y00 s ARG 31 Ca 0.20 0.15 -0.23 0.00 -2.50 0.00 0.00 55.73 53.35 1y00 s ARG 31 Cb -0.15 -4.25 -0.04 0.00 0.06 0.00 0.00 34.95 30.57 1y00 s ARG 31 CO 0.14 -2.33 0.67 0.42 -2.50 0.00 0.00 175.30 171.70 1y00 s ILE 32 N 6.98 4.98 -0.24 4.11 -1.09 -1.26 -4.44 121.20 130.24 1y00 s ILE 32 Ca 0.49 1.40 -0.06 0.00 -2.23 0.00 0.00 60.65 60.24 1y00 s ILE 32 Cb -0.10 -4.01 -0.02 0.00 -1.58 0.00 0.00 42.46 36.74 1y00 s ILE 32 CO 0.18 0.31 0.04 -0.83 -1.23 0.00 0.00 174.94 173.41 1y00 s GLY 33 N 0.44 1.73 -0.33 6.18 0.00 -0.79 -4.99 107.32 109.56 1y00 s GLY 33 Ca 0.36 -1.11 0.02 0.00 0.00 0.00 0.00 44.72 43.98 1y00 s GLY 33 CO 0.18 0.47 0.03 0.14 0.00 0.00 0.00 173.10 173.92 1y00 s VAL 34 N 1.49 2.51 -0.45 1.40 1.01 -1.26 -1.10 120.40 124.01 1y00 s VAL 34 Ca 0.06 -2.01 -0.16 0.00 0.00 0.00 0.00 61.98 59.87 1y00 s VAL 34 Cb -0.15 -2.69 0.05 0.00 0.00 0.00 0.00 36.38 33.59 1y00 s VAL 34 CO 0.02 -0.41 0.37 0.21 0.00 0.00 0.00 175.10 175.29 1y00 s ASN 35 N 1.15 6.14 -0.02 3.32 3.84 0.47 -4.98 114.94 124.86 1y00 s ASN 35 Ca 0.04 -1.09 -0.04 0.00 0.21 0.00 0.00 52.86 51.98 1y00 s ASN 35 Cb -0.20 -2.18 0.00 0.00 -0.55 0.00 0.00 41.25 38.32 1y00 s ASN 35 CO -0.06 -0.58 0.08 0.00 -2.79 0.00 0.00 177.10 173.76 1y00 s ALA 36 N 1.74 -0.19 0.55 1.71 0.00 -1.26 -0.33 121.76 123.97 1y00 s ALA 36 Ca 0.06 0.02 -0.14 0.00 0.00 0.00 0.00 51.96 51.89 1y00 s ALA 36 Cb -0.21 -0.04 -0.06 0.00 0.00 0.00 0.00 23.12 22.80 1y00 s ALA 36 CO 0.09 -0.10 0.99 -1.25 0.00 0.00 0.00 175.76 175.48 1y00 s PRO 37 N -0.56 3.82 -0.37 0.00 0.04 -1.26 -4.97 135.00 131.70 1y00 s PRO 37 Ca -0.06 0.86 0.01 0.00 0.04 0.00 0.00 61.00 61.85 1y00 s PRO 37 Cb -0.04 -2.13 0.38 0.00 0.04 0.00 0.00 34.50 32.75 1y00 s PRO 37 CO 0.00 -0.36 1.80 1.63 0.04 0.00 0.00 177.00 180.11 1y00 n LYS 38 N -1.97 1.96 -0.13 4.56 5.02 -1.26 -4.20 118.16 122.15 1y00 n LYS 38 Ca 0.06 -2.08 -0.22 0.00 -2.02 0.00 0.00 58.31 54.05 1y00 n LYS 38 Cb 0.54 -1.82 -0.11 0.00 -0.02 0.00 0.00 35.03 33.63 1y00 n LYS 38 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1y00 n GLU 39 N -0.37 0.61 -2.94 1.97 2.13 -1.26 -4.99 120.64 115.79 1y00 n GLU 39 Ca 0.41 0.19 -0.27 0.00 0.66 0.00 0.00 57.16 58.14 1y00 n GLU 39 Cb 0.97 -1.49 -0.01 0.00 0.27 0.00 0.00 31.44 31.17 1y00 n GLU 39 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1y00 s VAL 40 N -2.51 4.95 -0.56 6.31 1.01 -1.26 -4.96 120.40 123.38 1y00 s VAL 40 Ca -0.36 0.12 -0.26 0.00 0.00 0.00 0.00 61.98 61.49 1y00 s VAL 40 Cb 0.11 -3.82 -0.09 0.00 0.00 0.00 0.00 36.38 32.59 1y00 s VAL 40 CO 0.54 -0.64 2.42 -0.24 0.00 0.00 0.00 175.10 177.19 1y00 n SER 41 N -1.75 2.17 -4.07 3.32 2.88 -1.26 -4.91 113.62 109.99 1y00 n SER 41 Ca -0.01 -0.72 -0.31 0.00 -1.33 0.00 0.00 58.87 56.50 1y00 n SER 41 Cb 0.55 -1.59 -0.16 0.00 -0.75 0.00 0.00 64.21 62.25 1y00 n SER 41 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1y00 s VAL 42 N 12.78 1.79 -0.05 2.46 0.11 -1.26 -5.12 120.40 131.12 1y00 s VAL 42 Ca 0.98 -0.78 0.06 0.00 -2.93 0.00 0.00 61.98 59.31 1y00 s VAL 42 Cb -0.18 -1.64 -0.01 0.00 -1.53 0.00 0.00 36.38 33.02 1y00 s VAL 42 CO 0.23 0.50 -0.24 -2.28 -3.33 0.00 0.00 175.10 169.97 1y00 s HIS 43 N 1.31 2.33 0.23 1.54 2.46 -1.26 -5.12 115.29 116.77 1y00 s HIS 43 Ca 0.03 -0.64 0.00 0.00 0.47 0.00 0.00 55.06 54.92 1y00 s HIS 43 Cb -0.13 -1.52 -0.00 0.00 -0.13 0.00 0.00 32.58 30.79 1y00 s HIS 43 CO -0.10 -0.18 0.29 0.54 -2.47 0.00 0.00 174.74 172.82 1y00 n ARG 44 N 2.86 0.42 -1.73 2.88 1.74 -1.26 -5.13 116.66 116.45 1y00 n ARG 44 Ca -0.17 -1.92 -0.42 0.00 -0.77 0.00 0.00 57.85 54.57 1y00 n ARG 44 Cb 0.52 1.78 -0.02 0.00 -1.02 0.00 0.00 32.46 33.71 1y00 n ARG 44 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1y00 n GLU 45 N -0.39 2.59 0.14 5.56 2.13 -1.26 -4.91 120.64 124.50 1y00 n GLU 45 Ca 0.02 0.93 -0.16 0.00 0.66 0.00 0.00 57.16 58.60 1y00 n GLU 45 Cb 0.39 -2.70 -0.10 0.00 0.27 0.00 0.00 31.44 29.30 1y00 n GLU 45 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1y00 h GLU 46 N 5.17 -0.76 -0.79 5.31 5.08 -2.00 -2.30 114.58 124.30 1y00 h GLU 46 Ca -0.46 0.05 0.09 0.00 -1.00 0.00 0.00 59.36 58.05 1y00 h GLU 46 Cb 1.23 0.17 -0.07 0.00 0.50 0.00 0.00 28.75 30.58 1y00 h GLU 46 CO 0.83 -0.50 0.44 0.97 -1.00 0.00 0.00 179.01 179.74 1y00 h ILE 47 N -0.79 0.89 -0.07 3.13 6.09 -1.96 0.13 117.51 124.94 1y00 h ILE 47 Ca -0.02 -0.25 0.01 0.00 -1.37 0.00 0.00 64.86 63.23 1y00 h ILE 47 Cb 0.77 0.09 -0.01 0.00 0.47 0.00 0.00 36.82 38.13 1y00 h ILE 47 CO -0.24 0.13 -0.11 1.88 -3.07 0.00 0.00 178.15 176.74 1y00 h TYR 48 N 0.74 -0.32 0.00 2.19 -1.99 -1.80 -1.28 116.97 114.51 1y00 h TYR 48 Ca 0.38 0.01 -0.01 0.00 2.00 0.00 0.00 58.73 61.12 1y00 h TYR 48 Cb 0.36 0.15 -0.00 0.00 2.00 0.00 0.00 36.73 39.24 1y00 h TYR 48 CO -0.07 -0.10 -0.05 -0.56 -0.00 0.00 0.00 178.16 177.37 1y00 h GLN 49 N -0.09 0.00 0.00 4.88 3.07 -1.39 -2.25 115.11 119.33 1y00 h GLN 49 Ca 0.01 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.73 1y00 h GLN 49 Cb 0.12 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.68 1y00 h GLN 49 CO -0.11 0.05 -0.09 0.00 0.09 0.00 0.00 178.83 178.78 1y00 h ARG 50 N 0.00 0.00 0.00 0.06 3.08 0.34 0.86 114.38 118.72 1y00 h ARG 50 Ca -0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 1y00 h ARG 50 Cb 0.57 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 1y00 h ARG 50 CO 0.01 0.09 -1.54 0.44 -1.07 0.00 0.00 179.97 177.90 1y00 n ILE 51 N -3.42 0.11 -0.05 2.04 -5.35 -0.61 0.02 119.36 112.11 1y00 n ILE 51 Ca -0.01 -0.28 -0.08 0.00 -0.27 0.00 0.00 62.75 62.10 1y00 n ILE 51 Cb 0.25 0.09 -0.03 0.00 -1.74 0.00 0.00 39.64 38.21 1y00 n ILE 51 CO 0.00 0.00 0.00 1.67 -1.76 0.00 0.00 176.55 176.46 1y00 n GLN 52 N -1.96 0.35 0.00 6.28 -0.06 -0.87 -4.84 117.38 116.28 1y00 n GLN 52 Ca -0.04 0.14 0.00 0.00 -2.00 0.00 0.00 57.00 55.10 1y00 n GLN 52 Cb 0.38 -1.11 0.00 0.00 -4.06 0.00 0.00 30.24 25.45 1y00 n GLN 52 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1y00 n ALA 53 N -4.06 -0.22 -3.35 1.69 0.00 0.67 -4.80 120.51 110.45 1y00 n ALA 53 Ca -0.14 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 52.97 1y00 n ALA 53 Cb 0.42 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.71 1y00 n ALA 53 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1y00 s GLU 54 N -1.77 3.21 -0.71 0.00 8.01 0.27 -5.00 118.70 122.71 1y00 s GLU 54 Ca 0.00 -0.77 -0.26 0.00 0.01 0.00 0.00 54.97 53.95 1y00 s GLU 54 Cb 0.00 -2.55 -0.10 0.00 -4.31 0.00 0.00 34.13 27.17 1y00 s GLU 54 CO 0.00 0.09 2.32 -1.59 0.01 0.00 0.00 175.26 176.08 1y00 s LYS 55 N 0.63 1.92 0.19 1.61 0.00 -1.25 -3.85 119.74 118.99 1y00 s LYS 55 Ca -0.09 0.66 -0.16 0.00 0.00 0.00 0.00 55.97 56.37 1y00 s LYS 55 Cb -0.16 -4.74 0.17 0.00 0.00 0.00 0.00 37.83 33.10 1y00 s LYS 55 CO 0.03 -3.88 1.63 1.03 0.00 0.00 0.00 175.35 174.15 1y00 h SER 56 N 14.62 -0.67 0.00 0.03 0.87 -0.72 -3.44 113.55 124.24 1y00 h SER 56 Ca -0.07 0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 1y00 h SER 56 Cb 1.09 0.40 0.00 0.00 -0.44 0.00 0.00 62.40 63.44 1y00 h SER 56 CO 1.09 -0.22 0.00 1.67 -0.53 0.00 0.00 176.83 178.83 1y00 n GLN 57 N -5.41 0.00 -3.58 2.24 7.27 -1.26 -5.15 117.38 111.49 1y00 n GLN 57 Ca 0.05 0.00 0.02 0.00 0.07 0.00 0.00 57.00 57.14 1y00 n GLN 57 Cb 0.31 0.00 -0.01 0.00 2.41 0.00 0.00 30.24 32.96 1y00 n GLN 57 CO 0.00 0.00 0.00 1.14 0.07 0.00 0.00 177.06 178.27 1y00 s GLN 58 N -0.85 0.06 0.01 3.69 -2.07 -1.26 -5.18 119.66 114.05 1y00 s GLN 58 Ca 0.00 -0.03 -0.09 0.00 -1.82 0.00 0.00 55.36 53.42 1y00 s GLN 58 Cb 0.00 0.02 0.01 0.00 -1.09 0.00 0.00 33.01 31.95 1y00 s GLN 58 CO 0.00 -0.03 0.18 -1.54 -1.32 0.00 0.00 175.29 172.59 1y00 s SER 59 N -2.72 -0.01 -0.27 12.60 1.04 -1.26 -5.14 113.70 117.95 1y00 s SER 59 Ca 0.14 -0.20 -0.13 0.00 0.48 0.00 0.00 55.95 56.24 1y00 s SER 59 Cb 0.05 0.25 -0.04 0.00 0.10 0.00 0.00 66.02 66.37 1y00 s SER 59 CO -0.05 -0.44 0.27 -0.55 0.98 0.00 0.00 173.24 173.45 1y00 s SER 60 N -1.58 6.15 0.00 7.02 0.15 -1.26 -5.28 113.70 118.90 1y00 s SER 60 Ca -0.12 0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.68 1y00 s SER 60 Cb -0.05 -2.16 0.00 0.00 -1.71 0.00 0.00 66.02 62.10 1y00 s SER 60 CO 0.01 -0.09 0.00 0.00 1.20 0.00 0.00 173.24 174.36