#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 4.61 -0.48 3.17 0.20 -1.26 -5.07 118.68 119.86 1y00 s LEU 2 Ca 0.00 -1.85 -0.17 0.00 0.69 0.00 0.00 54.13 52.80 1y00 s LEU 2 Cb 0.00 -1.71 0.07 0.00 -0.43 0.00 0.00 46.19 44.12 1y00 s LEU 2 CO 0.00 -0.39 0.47 -0.51 -0.29 0.00 0.00 176.35 175.63 1y00 s ILE 3 N 1.08 5.12 -0.13 6.68 2.07 -1.26 -5.03 121.20 129.72 1y00 s ILE 3 Ca 0.05 -0.86 0.01 0.00 -1.41 0.00 0.00 60.65 58.43 1y00 s ILE 3 Cb -0.21 -4.18 0.02 0.00 0.13 0.00 0.00 42.46 38.23 1y00 s ILE 3 CO -0.05 -0.64 -0.14 -0.22 -1.91 0.00 0.00 174.94 171.98 1y00 s LEU 4 N 1.97 1.63 0.61 8.50 2.96 -1.26 -5.12 118.68 127.97 1y00 s LEU 4 Ca 0.08 -0.45 -0.19 0.00 -0.22 0.00 0.00 54.13 53.35 1y00 s LEU 4 Cb -0.22 -1.12 -0.04 0.00 0.50 0.00 0.00 46.19 45.31 1y00 s LEU 4 CO 0.09 -0.05 1.10 0.41 -1.32 0.00 0.00 176.35 176.58 1y00 n THR 5 N 4.65 4.06 -3.65 3.68 -1.04 -1.26 -5.00 114.28 115.73 1y00 n THR 5 Ca -0.17 -0.50 -0.02 0.00 -2.04 0.00 0.00 64.05 61.32 1y00 n THR 5 Cb 0.50 -1.30 -0.06 0.00 -1.82 0.00 0.00 70.33 67.66 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 -2.93 0.02 0.00 -2.82 6.06 -1.26 -5.05 118.95 112.96 1y00 s ARG 6 Ca 0.77 0.02 0.00 0.00 -2.50 0.00 0.00 55.73 54.02 1y00 s ARG 6 Cb -0.41 0.01 0.00 0.00 0.06 0.00 0.00 34.95 34.61 1y00 s ARG 6 CO 0.45 -0.00 0.33 -2.13 -2.50 0.00 0.00 175.30 171.45 1y00 n ARG 7 N 1.21 0.00 0.03 5.12 0.63 -1.26 -5.01 116.66 117.37 1y00 n ARG 7 Ca -0.07 -0.17 0.00 0.00 -0.92 0.00 0.00 57.85 56.69 1y00 n ARG 7 Cb 0.58 0.18 0.00 0.00 0.45 0.00 0.00 32.46 33.66 1y00 n ARG 7 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1y00 n VAL 8 N 0.00 0.27 0.00 5.15 0.31 -1.26 -4.79 118.33 118.02 1y00 n VAL 8 Ca -0.05 0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 1y00 n VAL 8 Cb 0.33 -1.17 0.00 0.00 -0.91 0.00 0.00 33.84 32.09 1y00 n VAL 8 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1y00 n GLY 9 N 2.58 -0.35 0.72 2.92 0.00 -1.26 -4.83 105.19 104.97 1y00 n GLY 9 Ca 0.00 0.80 -0.04 0.00 0.00 0.00 0.00 46.02 46.78 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 0.19 -2.32 1.61 2.13 -1.26 -5.07 120.64 115.91 1y00 n GLU 10 Ca 0.00 0.08 -0.03 0.00 0.66 0.00 0.00 57.16 57.87 1y00 n GLU 10 Cb 0.00 -0.82 -0.02 0.00 0.27 0.00 0.00 31.44 30.86 1y00 n GLU 10 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1y00 n THR 11 N -3.76-10.01 -4.30 6.31 -2.24 -1.24 -5.05 114.28 93.99 1y00 n THR 11 Ca -0.07 1.84 -0.27 0.00 -2.27 0.00 0.00 64.05 63.29 1y00 n THR 11 Cb 0.26 -5.87 -0.09 0.00 -2.10 0.00 0.00 70.33 62.52 1y00 n THR 11 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 1y00 s LEU 12 N -0.70 2.96 -0.32 3.22 2.34 -1.10 -4.88 118.68 120.20 1y00 s LEU 12 Ca -0.15 -0.59 0.00 0.00 0.06 0.00 0.00 54.13 53.45 1y00 s LEU 12 Cb 0.01 -1.64 0.10 0.00 -0.56 0.00 0.00 46.19 44.10 1y00 s LEU 12 CO 0.58 0.10 0.09 -0.32 -1.06 0.00 0.00 176.35 175.74 1y00 s MET 13 N -2.87 0.90 -0.34 1.48 -2.45 -1.26 -0.90 119.30 113.87 1y00 s MET 13 Ca 0.25 -1.28 0.02 0.00 -1.25 0.00 0.00 55.69 53.43 1y00 s MET 13 Cb -0.09 -2.29 0.09 0.00 1.25 0.00 0.00 34.83 33.79 1y00 s MET 13 CO 0.15 -0.98 0.05 -1.50 1.05 0.00 0.00 175.02 173.79 1y00 s ILE 14 N 1.43 2.54 0.00 10.11 1.10 -1.26 -4.90 121.20 130.22 1y00 s ILE 14 Ca 0.10 -2.06 0.00 0.00 -0.51 0.00 0.00 60.65 58.18 1y00 s ILE 14 Cb -0.18 -2.74 0.00 0.00 0.15 0.00 0.00 42.46 39.70 1y00 s ILE 14 CO -0.21 -0.46 0.00 0.61 -2.11 0.00 0.00 174.94 172.77 1y00 n GLY 15 N 4.39 -0.72 0.00 1.50 0.00 -1.26 -4.84 105.19 104.26 1y00 n GLY 15 Ca -0.02 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 9.92 -1.26 -4.98 116.55 121.84 1y00 n ASP 16 Ca 0.00 -0.60 0.00 0.00 -0.53 0.00 0.00 54.79 53.66 1y00 n ASP 16 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1y00 n ASP 16 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1y00 n GLU 17 N 0.00 0.00 -0.26 -1.24 1.02 -1.26 -5.10 120.64 113.81 1y00 n GLU 17 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1y00 n GLU 17 Cb 0.15 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.57 1y00 n GLU 17 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 1y00 n VAL 18 N 0.00 0.00 0.00 2.62 0.24 -1.26 -4.22 118.33 115.70 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 -0.38 0.00 0.00 -1.47 0.00 0.00 33.84 31.99 1y00 n VAL 18 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 1y00 n THR 19 N -0.06 0.00 -3.80 3.34 5.66 0.53 -4.70 114.28 115.25 1y00 n THR 19 Ca 0.00 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.63 1y00 n THR 19 Cb 0.00 0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 68.65 1y00 n THR 19 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1y00 s VAL 20 N 0.00 3.53 -0.39 1.08 1.01 -0.08 -1.06 120.40 124.49 1y00 s VAL 20 Ca 0.00 -1.19 -0.16 0.00 0.00 0.00 0.00 61.98 60.63 1y00 s VAL 20 Cb 0.00 -3.00 0.01 0.00 0.00 0.00 0.00 36.38 33.39 1y00 s VAL 20 CO 0.00 -0.14 0.35 -0.89 0.00 0.00 0.00 175.10 174.42 1y00 s THR 21 N 1.36 5.19 -1.27 3.92 2.01 0.53 -2.71 115.64 124.67 1y00 s THR 21 Ca -0.03 -0.37 -0.15 0.00 0.31 0.00 0.00 61.69 61.45 1y00 s THR 21 Cb -0.19 -3.92 -0.03 0.00 0.01 0.00 0.00 72.50 68.36 1y00 s THR 21 CO 0.02 -0.27 2.22 1.33 -0.69 0.00 0.00 174.62 177.22 1y00 n VAL 22 N 5.26 3.06 -0.18 3.82 0.24 -1.26 -1.76 118.33 127.50 1y00 n VAL 22 Ca -0.10 -2.50 0.00 0.00 -2.04 0.00 0.00 64.34 59.70 1y00 n VAL 22 Cb 0.48 -2.51 0.00 0.00 -1.47 0.00 0.00 33.84 30.34 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 6.09 0.00 -3.27 1.34 7.94 -1.25 -4.29 117.00 123.55 1y00 n LEU 23 Ca 0.54 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 55.35 1y00 n LEU 23 Cb 0.36 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.31 1y00 n LEU 23 CO 0.92 0.00 0.15 0.61 -1.11 0.00 0.00 177.39 177.96 1y00 n GLY 24 N 5.00 -1.23 3.54 -3.96 0.00 -0.86 -4.02 105.19 103.65 1y00 n GLY 24 Ca 0.00 0.57 -0.43 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.94 4.43 0.02 1.61 1.01 -1.26 0.11 120.40 123.38 1y00 s VAL 25 Ca 0.02 0.47 -0.06 0.00 0.00 0.00 0.00 61.98 62.41 1y00 s VAL 25 Cb -0.00 -4.49 -0.00 0.00 0.00 0.00 0.00 36.38 31.88 1y00 s VAL 25 CO 0.80 -0.99 0.11 -0.75 0.00 0.00 0.00 175.10 174.27 1y00 s LYS 26 N 3.85 0.50 0.64 2.72 2.47 -1.26 -4.95 119.74 123.70 1y00 s LYS 26 Ca 0.33 -0.54 -0.18 0.00 -1.56 0.00 0.00 55.97 54.02 1y00 s LYS 26 Cb -0.11 0.20 -0.01 0.00 -1.46 0.00 0.00 37.83 36.44 1y00 s LYS 26 CO 0.22 -0.12 1.25 0.20 0.16 0.00 0.00 175.35 177.06 1y00 s GLY 27 N -1.64 2.75 0.00 5.54 0.00 -1.26 -3.89 107.32 108.82 1y00 s GLY 27 Ca -0.12 1.10 0.00 0.00 0.00 0.00 0.00 44.72 45.70 1y00 s GLY 27 CO -0.01 1.51 0.00 0.70 0.00 0.00 0.00 173.10 175.30 1y00 n ASN 28 N -1.89 0.00 -4.19 1.64 3.02 -1.26 -4.68 115.26 107.90 1y00 n ASN 28 Ca 0.15 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.38 1y00 n ASN 28 Cb 0.49 0.00 -0.17 0.00 -0.61 0.00 0.00 39.78 39.49 1y00 n ASN 28 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1y00 s GLN 29 N 0.00 2.90 -0.04 3.52 1.11 -1.25 -5.12 119.66 120.77 1y00 s GLN 29 Ca 0.00 -0.82 -0.15 0.00 0.01 0.00 0.00 55.36 54.39 1y00 s GLN 29 Cb 0.00 -2.23 -0.05 0.00 -1.01 0.00 0.00 33.01 29.71 1y00 s GLN 29 CO 0.00 0.12 0.41 0.14 0.01 0.00 0.00 175.29 175.97 1y00 s VAL 30 N 0.49 5.08 -0.57 1.09 -7.23 -1.25 -4.32 120.40 113.70 1y00 s VAL 30 Ca -0.16 0.83 -0.28 0.00 -1.81 0.00 0.00 61.98 60.57 1y00 s VAL 30 Cb -0.17 -3.72 0.01 0.00 0.56 0.00 0.00 36.38 33.05 1y00 s VAL 30 CO 0.06 0.51 1.45 -0.13 -0.31 0.00 0.00 175.10 176.69 1y00 s ARG 31 N -0.61 3.25 -0.07 4.82 3.00 0.30 -4.96 118.95 124.68 1y00 s ARG 31 Ca 0.23 0.46 -0.23 0.00 0.00 0.00 0.00 55.73 56.20 1y00 s ARG 31 Cb -0.16 -4.15 -0.04 0.00 0.00 0.00 0.00 34.95 30.60 1y00 s ARG 31 CO 0.12 -2.00 0.66 0.42 0.00 0.00 0.00 175.30 174.50 1y00 s ILE 32 N 6.28 5.07 -0.40 1.52 -1.09 -1.26 -2.03 121.20 129.29 1y00 s ILE 32 Ca 0.53 1.36 -0.12 0.00 -2.23 0.00 0.00 60.65 60.20 1y00 s ILE 32 Cb -0.11 -4.00 0.04 0.00 -1.58 0.00 0.00 42.46 36.81 1y00 s ILE 32 CO 0.24 0.27 0.25 -0.83 -1.23 0.00 0.00 174.94 173.65 1y00 s GLY 33 N 0.74 1.96 -0.43 6.18 0.00 -0.72 -4.93 107.32 110.12 1y00 s GLY 33 Ca 0.36 -1.86 -0.09 0.00 0.00 0.00 0.00 44.72 43.13 1y00 s GLY 33 CO 0.17 0.91 0.28 0.14 0.00 0.00 0.00 173.10 174.59 1y00 s VAL 34 N 1.56 4.14 -0.47 1.40 1.01 -1.26 -0.35 120.40 126.43 1y00 s VAL 34 Ca 0.03 -1.56 -0.18 0.00 0.00 0.00 0.00 61.98 60.27 1y00 s VAL 34 Cb -0.21 -3.61 0.05 0.00 0.00 0.00 0.00 36.38 32.61 1y00 s VAL 34 CO 0.06 -0.59 0.51 0.21 0.00 0.00 0.00 175.10 175.29 1y00 s ASN 35 N 2.25 6.20 0.03 3.32 3.84 -0.23 -4.97 114.94 125.39 1y00 s ASN 35 Ca 0.04 -0.89 0.02 0.00 0.21 0.00 0.00 52.86 52.24 1y00 s ASN 35 Cb -0.24 -2.25 -0.02 0.00 -0.55 0.00 0.00 41.25 38.20 1y00 s ASN 35 CO 0.01 -0.73 -0.07 0.00 -2.79 0.00 0.00 177.10 173.52 1y00 s ALA 36 N 2.26 0.54 0.54 1.71 0.00 -1.26 -0.34 121.76 125.20 1y00 s ALA 36 Ca 0.12 -0.60 -0.14 0.00 0.00 0.00 0.00 51.96 51.34 1y00 s ALA 36 Cb -0.19 -0.01 -0.06 0.00 0.00 0.00 0.00 23.12 22.86 1y00 s ALA 36 CO 0.12 0.02 0.98 -1.25 0.00 0.00 0.00 175.76 175.63 1y00 s PRO 37 N -1.12 3.82 -0.32 0.00 0.04 -1.26 -4.97 135.00 131.19 1y00 s PRO 37 Ca -0.06 0.84 0.01 0.00 0.04 0.00 0.00 61.00 61.83 1y00 s PRO 37 Cb -0.07 -2.14 0.38 0.00 0.04 0.00 0.00 34.50 32.70 1y00 s PRO 37 CO 0.00 -0.35 1.70 1.63 0.04 0.00 0.00 177.00 180.03 1y00 n LYS 38 N -1.95 1.86 -0.03 4.56 4.01 -1.26 -4.06 118.16 121.29 1y00 n LYS 38 Ca 0.06 -1.93 -0.05 0.00 -0.51 0.00 0.00 58.31 55.89 1y00 n LYS 38 Cb 0.54 -1.76 -0.03 0.00 -0.51 0.00 0.00 35.03 33.28 1y00 n LYS 38 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 1y00 n GLU 39 N -0.38 0.15 -1.74 1.97 -0.58 -1.26 -5.05 120.64 113.75 1y00 n GLU 39 Ca 0.38 0.04 -0.31 0.00 -0.42 0.00 0.00 57.16 56.85 1y00 n GLU 39 Cb 1.05 -1.07 0.03 0.00 -0.57 0.00 0.00 31.44 30.88 1y00 n GLU 39 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1y00 s VAL 40 N -2.12 4.26 -0.40 2.62 1.01 -1.26 -4.94 120.40 119.57 1y00 s VAL 40 Ca -0.08 0.73 -0.28 0.00 0.00 0.00 0.00 61.98 62.35 1y00 s VAL 40 Cb 0.02 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.75 1y00 s VAL 40 CO 0.14 -0.96 1.92 -0.55 0.00 0.00 0.00 175.10 175.65 1y00 s SER 41 N -4.04 5.56 -0.12 3.32 0.15 -1.26 -4.96 113.70 112.35 1y00 s SER 41 Ca 0.57 1.13 0.02 0.00 0.70 0.00 0.00 55.95 58.37 1y00 s SER 41 Cb -0.12 -2.52 0.01 0.00 -1.71 0.00 0.00 66.02 61.67 1y00 s SER 41 CO 0.54 -2.00 -0.20 0.54 1.20 0.00 0.00 173.24 173.32 1y00 s VAL 42 N 8.07 1.85 -0.10 4.45 0.11 -1.26 -5.11 120.40 128.41 1y00 s VAL 42 Ca 0.81 -0.86 0.01 0.00 -2.93 0.00 0.00 61.98 59.00 1y00 s VAL 42 Cb -0.21 -1.65 0.02 0.00 -1.53 0.00 0.00 36.38 33.02 1y00 s VAL 42 CO 0.30 0.51 -0.10 -2.28 -3.33 0.00 0.00 175.10 170.20 1y00 s HIS 43 N 0.79 1.52 0.20 1.54 2.46 -1.26 -4.97 115.29 115.56 1y00 s HIS 43 Ca -0.09 -0.69 0.00 0.00 0.47 0.00 0.00 55.06 54.75 1y00 s HIS 43 Cb -0.16 -1.19 0.00 0.00 -0.13 0.00 0.00 32.58 31.10 1y00 s HIS 43 CO 0.00 -0.43 0.00 0.54 -2.47 0.00 0.00 174.74 172.38 1y00 n ARG 44 N 4.47 0.00 -3.65 2.88 1.74 -1.26 -5.15 116.66 115.70 1y00 n ARG 44 Ca -0.17 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 56.89 1y00 n ARG 44 Cb 0.51 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.88 1y00 n ARG 44 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1y00 s GLU 45 N -1.42 0.30 0.29 5.56 2.56 -1.26 -5.01 118.70 119.72 1y00 s GLU 45 Ca 0.00 0.51 -0.02 0.00 0.00 0.00 0.00 54.97 55.46 1y00 s GLU 45 Cb 0.00 0.06 0.45 0.00 2.00 0.00 0.00 34.13 36.64 1y00 s GLU 45 CO 0.00 -0.06 1.93 1.05 -0.56 0.00 0.00 175.26 177.62 1y00 h GLU 46 N 5.74 1.09 -0.12 4.30 4.11 -2.00 -2.60 114.58 125.11 1y00 h GLU 46 Ca -0.28 -0.07 -0.14 0.00 0.07 0.00 0.00 59.36 58.95 1y00 h GLU 46 Cb 1.18 -0.25 0.01 0.00 0.50 0.00 0.00 28.75 30.19 1y00 h GLU 46 CO 0.20 0.72 -0.48 0.82 0.07 0.00 0.00 179.01 180.35 1y00 h ILE 47 N 1.13 1.36 -0.65 -1.06 2.04 -1.96 -1.25 117.51 117.12 1y00 h ILE 47 Ca 0.36 -1.79 0.13 0.00 1.00 0.00 0.00 64.86 64.56 1y00 h ILE 47 Cb 0.02 2.14 -0.10 0.00 -0.74 0.00 0.00 36.82 38.14 1y00 h ILE 47 CO -0.11 0.54 0.13 1.88 0.00 0.00 0.00 178.15 180.59 1y00 h TYR 48 N 0.14 0.19 0.00 1.37 -1.99 -1.87 -0.41 116.97 114.40 1y00 h TYR 48 Ca -0.03 0.04 -0.01 0.00 2.00 0.00 0.00 58.73 60.73 1y00 h TYR 48 Cb 1.11 0.02 -0.00 0.00 2.00 0.00 0.00 36.73 39.86 1y00 h TYR 48 CO 0.11 -0.07 -0.20 0.37 -0.00 0.00 0.00 178.16 178.37 1y00 h GLN 49 N 0.24 0.00 0.00 4.88 4.15 -1.55 -2.41 115.11 120.42 1y00 h GLN 49 Ca 0.35 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.77 1y00 h GLN 49 Cb 0.56 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.25 1y00 h GLN 49 CO -0.46 0.19 0.12 0.54 -1.93 0.00 0.00 178.83 177.29 1y00 n ARG 50 N -4.70 0.00 -0.02 1.69 1.74 -0.47 0.15 116.66 115.05 1y00 n ARG 50 Ca -0.05 0.37 -0.07 0.00 -0.77 0.00 0.00 57.85 57.33 1y00 n ARG 50 Cb 0.17 -1.62 -0.02 0.00 -1.02 0.00 0.00 32.46 29.97 1y00 n ARG 50 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1y00 n ILE 51 N -1.37 0.97 0.00 0.55 2.08 -0.17 -4.10 119.36 117.33 1y00 n ILE 51 Ca 0.00 0.11 -0.10 0.00 0.56 0.00 0.00 62.75 63.32 1y00 n ILE 51 Cb 0.12 -1.76 -0.08 0.00 -0.75 0.00 0.00 39.64 37.18 1y00 n ILE 51 CO 0.00 0.00 0.00 1.56 0.56 0.00 0.00 176.55 178.67 1y00 h GLN 52 N -0.36 -0.12 -0.04 0.38 7.50 -1.33 -3.17 115.11 117.98 1y00 h GLN 52 Ca -0.12 0.01 -0.22 0.00 0.50 0.00 0.00 58.65 58.82 1y00 h GLN 52 Cb 0.75 0.03 0.00 0.00 0.05 0.00 0.00 27.48 28.31 1y00 h GLN 52 CO -0.07 0.38 -0.89 0.00 -1.50 0.00 0.00 178.83 176.75 1y00 h ALA 53 N -0.35 0.37 -3.01 3.87 0.00 -1.01 -3.43 119.26 115.70 1y00 h ALA 53 Ca -0.01 -0.67 -0.64 0.00 0.00 0.00 0.00 54.91 53.59 1y00 h ALA 53 Cb 0.55 -0.02 -0.19 0.00 0.00 0.00 0.00 17.79 18.13 1y00 h ALA 53 CO 0.02 0.77 -0.58 -2.00 0.00 0.00 0.00 179.25 177.46 1y00 s GLU 54 N -3.42 3.83 -0.97 0.00 2.56 0.40 -4.98 118.70 116.12 1y00 s GLU 54 Ca -0.07 -0.39 -0.24 0.00 0.00 0.00 0.00 54.97 54.27 1y00 s GLU 54 Cb 0.09 -3.41 -0.25 0.00 2.00 0.00 0.00 34.13 32.57 1y00 s GLU 54 CO 0.87 -0.07 2.51 1.17 -0.56 0.00 0.00 175.26 179.18 1y00 n LYS 55 N 4.63 0.07 -1.12 4.30 0.00 -1.26 -3.19 118.16 121.58 1y00 n LYS 55 Ca -0.16 -0.02 -0.33 0.00 0.00 0.00 0.00 58.31 57.81 1y00 n LYS 55 Cb 0.52 -1.51 0.12 0.00 0.00 0.00 0.00 35.03 34.16 1y00 n LYS 55 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1y00 s SER 56 N 6.48 3.75 -0.20 3.14 0.15 -1.20 -4.96 113.70 120.86 1y00 s SER 56 Ca 1.32 2.21 -0.15 0.00 0.70 0.00 0.00 55.95 60.03 1y00 s SER 56 Cb -1.05 -2.57 -0.04 0.00 -1.71 0.00 0.00 66.02 60.65 1y00 s SER 56 CO 0.49 -2.56 0.37 -1.58 1.20 0.00 0.00 173.24 171.17 1y00 s GLN 57 N -4.34 4.17 0.16 5.44 0.74 -1.26 -5.04 119.66 119.53 1y00 s GLN 57 Ca 0.69 0.16 -0.31 0.00 0.05 0.00 0.00 55.36 55.95 1y00 s GLN 57 Cb -0.25 -3.53 -0.10 0.00 1.10 0.00 0.00 33.01 30.23 1y00 s GLN 57 CO 0.52 -0.01 1.57 1.14 -0.55 0.00 0.00 175.29 177.96 1y00 s GLN 58 N 1.24 4.21 0.00 1.67 -2.07 -1.26 -5.01 119.66 118.44 1y00 s GLN 58 Ca 0.18 2.36 0.00 0.00 -1.82 0.00 0.00 55.36 56.08 1y00 s GLN 58 Cb -0.15 -3.19 0.00 0.00 -1.09 0.00 0.00 33.01 28.58 1y00 s GLN 58 CO 0.07 -0.62 0.00 -1.13 -1.32 0.00 0.00 175.29 172.30 1y00 n SER 59 N 4.10 0.00 -4.63 12.60 3.41 -1.26 -5.03 113.62 122.81 1y00 n SER 59 Ca 0.14 -0.90 -0.40 0.00 -0.26 0.00 0.00 58.87 57.45 1y00 n SER 59 Cb 0.39 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.26 1y00 n SER 59 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1y00 s SER 60 N -1.00 6.48 0.00 4.04 0.15 -1.26 -5.34 113.70 116.77 1y00 s SER 60 Ca 0.00 0.58 0.22 0.00 0.70 0.00 0.00 55.95 57.45 1y00 s SER 60 Cb 0.00 -2.29 0.17 0.00 -1.71 0.00 0.00 66.02 62.20 1y00 s SER 60 CO 0.00 -0.27 1.20 0.00 1.20 0.00 0.00 173.24 175.37