#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i56 n SER 2 N 0.00 0.24 -3.64 2.55 3.41 -1.26 -4.84 113.62 110.08 3i56 n SER 2 Ca 0.00 0.11 -0.15 0.00 -0.26 0.00 0.00 58.87 58.58 3i56 n SER 2 Cb 0.00 -0.17 -0.08 0.00 -0.26 0.00 0.00 64.21 63.71 3i56 n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3i56 s SER 3 N -2.96 -0.59 -0.59 4.04 1.04 -1.26 -5.07 113.70 108.31 3i56 s SER 3 Ca 0.14 0.96 0.00 0.00 0.48 0.00 0.00 55.95 57.53 3i56 s SER 3 Cb 0.18 0.95 0.49 0.00 0.10 0.00 0.00 66.02 67.75 3i56 s SER 3 CO 0.59 -0.34 1.94 -3.20 0.98 0.00 0.00 173.24 173.22 3i56 n ASN 4 N 2.13 6.66 -4.89 7.02 5.15 -1.26 -4.88 115.26 125.18 3i56 n ASN 4 Ca -0.16 -3.76 -0.29 0.00 -0.60 0.00 0.00 54.58 49.77 3i56 n ASN 4 Cb 0.56 -0.90 0.08 0.00 -0.53 0.00 0.00 39.78 39.00 3i56 n ASN 4 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 3i56 s GLY 5 N -1.89 1.60 0.28 8.20 0.00 -1.26 -5.00 107.32 109.25 3i56 s GLY 5 Ca 0.62 -0.60 0.00 0.00 0.00 0.00 0.00 44.72 44.74 3i56 s GLY 5 CO 0.01 -0.12 1.79 -2.55 0.00 0.00 0.00 173.10 172.23 3i56 h PRO 6 N -1.01 0.71 -0.84 2.90 0.11 -2.05 -3.17 132.00 128.65 3i56 h PRO 6 Ca -0.46 -0.18 -0.22 0.00 0.11 0.00 0.00 66.00 65.25 3i56 h PRO 6 Cb 1.32 -0.09 -0.13 0.00 0.11 0.00 0.00 31.00 32.21 3i56 h PRO 6 CO 0.66 0.72 0.28 1.28 -0.21 0.00 0.00 178.00 180.73 3i56 n LEU 7 N -4.23 5.46 -4.70 2.35 4.77 -1.26 -4.65 117.00 114.75 3i56 n LEU 7 Ca 0.02 -2.85 -0.42 0.00 -0.03 0.00 0.00 56.01 52.73 3i56 n LEU 7 Cb 0.28 -0.72 -0.03 0.00 -2.33 0.00 0.00 43.42 40.63 3i56 n LEU 7 CO 0.41 0.76 0.99 -0.70 -1.33 0.00 0.00 177.39 177.52 3i56 s GLU 8 N -2.55 4.35 -1.47 3.23 -6.30 -1.20 -3.09 118.70 111.68 3i56 s GLU 8 Ca 0.45 1.82 0.00 0.00 -2.50 0.00 0.00 54.97 54.74 3i56 s GLU 8 Cb 0.36 -3.48 0.00 0.00 0.00 0.00 0.00 34.13 31.02 3i56 s GLU 8 CO 0.11 -0.43 0.00 0.41 0.02 0.00 0.00 175.26 175.37 3i56 n GLY 9 N 3.42 0.23 2.17 -1.50 0.00 -1.26 -4.93 105.19 103.31 3i56 n GLY 9 Ca 0.11 -0.22 -0.29 0.00 0.00 0.00 0.00 46.02 45.62 3i56 n GLY 9 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i56 n THR 10 N -3.61 3.01 -0.04 2.61 -2.24 -1.18 -4.65 114.28 108.19 3i56 n THR 10 Ca -0.18 -3.68 -0.15 0.00 -2.27 0.00 0.00 64.05 57.76 3i56 n THR 10 Cb 0.61 -1.15 -0.08 0.00 -2.10 0.00 0.00 70.33 67.61 3i56 n THR 10 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 3i56 h ARG 11 N 2.12 0.41 0.49 -0.78 2.43 -1.92 -3.18 114.38 113.95 3i56 h ARG 11 Ca 0.47 -0.31 -0.02 0.00 -0.81 0.00 0.00 59.98 59.31 3i56 h ARG 11 Cb 1.21 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.82 3i56 h ARG 11 CO 1.12 0.93 -0.24 0.78 -1.51 0.00 0.00 179.97 181.06 3i56 h GLY 12 N -0.03 -0.69 2.00 2.80 0.00 -1.94 -3.30 103.07 101.92 3i56 h GLY 12 Ca -0.01 0.25 -0.04 0.00 0.00 0.00 0.00 47.33 47.53 3i56 h GLY 12 CO 0.07 -0.25 -0.21 0.07 0.00 0.00 0.00 176.54 176.23 3i56 h LYS 13 N -1.12 0.00 -0.80 4.80 2.10 -1.88 -3.05 116.57 116.61 3i56 h LYS 13 Ca -0.07 0.00 -0.49 0.00 -2.00 0.00 0.00 60.65 58.09 3i56 h LYS 13 Cb 0.55 0.00 -0.27 0.00 -0.90 0.00 0.00 32.23 31.61 3i56 h LYS 13 CO 0.11 0.21 0.34 1.28 -2.00 0.00 0.00 179.45 179.39 3i56 n LEU 14 N -3.88 6.16 -3.93 7.07 4.77 -1.20 -4.87 117.00 121.12 3i56 n LEU 14 Ca -0.02 -4.04 -0.14 0.00 -0.03 0.00 0.00 56.01 51.78 3i56 n LEU 14 Cb 0.30 -0.77 -0.14 0.00 -2.33 0.00 0.00 43.42 40.48 3i56 n LEU 14 CO 0.34 1.39 -0.39 -0.75 -1.33 0.00 0.00 177.39 176.65 3i56 s LYS 15 N -3.50 0.28 0.33 3.23 2.20 -1.15 -4.82 119.74 116.31 3i56 s LYS 15 Ca 0.56 -0.15 -0.05 0.00 -0.36 0.00 0.00 55.97 55.96 3i56 s LYS 15 Cb 0.46 -0.25 -0.05 0.00 -1.51 0.00 0.00 37.83 36.48 3i56 s LYS 15 CO 0.03 0.07 0.61 -0.80 -0.36 0.00 0.00 175.35 174.90 3i56 s ASN 16 N -0.16 6.43 0.17 1.43 0.02 -1.26 -4.95 114.94 116.61 3i56 s ASN 16 Ca 0.00 0.79 -0.30 0.00 -1.02 0.00 0.00 52.86 52.33 3i56 s ASN 16 Cb -0.02 -2.18 -0.07 0.00 0.02 0.00 0.00 41.25 39.00 3i56 s ASN 16 CO -0.00 -0.28 1.01 -0.54 0.02 0.00 0.00 177.10 177.31 3i56 s LYS 17 N -3.78 4.69 0.26 -0.60 3.01 -1.26 -4.93 119.74 117.13 3i56 s LYS 17 Ca 0.45 1.57 0.17 0.00 -1.01 0.00 0.00 55.97 57.15 3i56 s LYS 17 Cb -0.10 -3.31 0.89 0.00 -1.01 0.00 0.00 37.83 34.29 3i56 s LYS 17 CO 0.32 0.22 0.96 -2.30 0.51 0.00 0.00 175.35 175.07 3i56 n PRO 18 N 2.32 -0.03 0.11 -1.68 -0.02 -1.26 0.13 135.00 134.57 3i56 n PRO 18 Ca 0.01 0.80 0.13 0.00 -2.02 0.00 0.00 63.50 62.42 3i56 n PRO 18 Cb 0.47 -1.52 0.42 0.00 -0.02 0.00 0.00 33.50 32.85 3i56 n PRO 18 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3i56 n ARG 19 N -4.08 0.25 -0.74 -0.52 1.74 -1.26 -3.03 116.66 109.02 3i56 n ARG 19 Ca 0.24 0.25 0.06 0.00 -0.77 0.00 0.00 57.85 57.63 3i56 n ARG 19 Cb 0.90 -1.82 0.33 0.00 -1.02 0.00 0.00 32.46 30.86 3i56 n ARG 19 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3i56 n ASP 20 N -2.27 4.84 -4.38 0.55 8.00 0.12 -5.00 116.55 118.41 3i56 n ASP 20 Ca 0.05 -3.03 -0.29 0.00 0.71 0.00 0.00 54.79 52.23 3i56 n ASP 20 Cb 0.40 -0.64 0.20 0.00 -0.02 0.00 0.00 41.12 41.06 3i56 n ASP 20 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3i56 s ARG 21 N -2.84 -0.18 0.24 -1.24 3.52 -1.17 -4.80 118.95 112.47 3i56 s ARG 21 Ca 0.50 0.28 0.00 0.00 -0.13 0.00 0.00 55.73 56.38 3i56 s ARG 21 Cb 0.39 -1.69 0.00 0.00 -1.56 0.00 0.00 34.95 32.10 3i56 s ARG 21 CO 0.12 -3.09 0.00 0.41 -0.81 0.00 0.00 175.30 171.93 3i56 n GLY 22 N -1.08 -1.94 3.59 8.12 0.00 -1.26 -4.87 105.19 107.75 3i56 n GLY 22 Ca 0.08 -1.28 -0.50 0.00 0.00 0.00 0.00 46.02 44.31 3i56 n GLY 22 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3i56 n THR 23 N -3.25 0.39 -2.59 2.61 -1.04 -1.26 -4.81 114.28 104.33 3i56 n THR 23 Ca -0.01 -0.10 -0.32 0.00 -2.04 0.00 0.00 64.05 61.58 3i56 n THR 23 Cb 0.41 -0.89 -0.05 0.00 -1.82 0.00 0.00 70.33 67.98 3i56 n THR 23 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 3i56 s SER 24 N 0.30 6.73 0.15 8.00 0.01 -1.26 -5.02 113.70 122.61 3i56 s SER 24 Ca 0.79 1.57 -0.31 0.00 1.31 0.00 0.00 55.95 59.31 3i56 s SER 24 Cb -0.89 -2.50 -0.09 0.00 0.21 0.00 0.00 66.02 62.75 3i56 s SER 24 CO 0.49 -0.49 1.50 -2.84 0.41 0.00 0.00 173.24 172.31 3i56 s PRO 25 N -3.73 4.25 0.53 12.44 0.02 -1.26 -4.96 135.00 142.30 3i56 s PRO 25 Ca 0.59 2.26 0.21 0.00 0.02 0.00 0.00 61.00 64.08 3i56 s PRO 25 Cb -0.10 -3.19 1.37 0.00 0.02 0.00 0.00 34.50 32.61 3i56 s PRO 25 CO 0.25 -0.54 2.09 -1.35 -0.33 0.00 0.00 177.00 177.12 3i56 h PRO 26 N 6.73 0.00 -0.90 5.54 0.11 -2.00 -3.28 132.00 138.21 3i56 h PRO 26 Ca -0.43 0.00 0.21 0.00 0.11 0.00 0.00 66.00 65.89 3i56 h PRO 26 Cb 1.21 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.20 3i56 h PRO 26 CO 0.89 0.00 0.42 0.37 -0.21 0.00 0.00 178.00 179.47 3i56 h GLN 27 N 0.00 0.45 0.00 1.05 5.75 -1.98 -0.39 115.11 119.98 3i56 h GLN 27 Ca 0.10 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.57 3i56 h GLN 27 Cb 0.42 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 28.86 3i56 h GLN 27 CO -0.00 0.30 -0.24 0.07 -2.65 0.00 0.00 178.83 176.31 3i56 h ARG 28 N 0.46 0.00 0.00 1.69 0.11 -1.96 -3.14 114.38 111.55 3i56 h ARG 28 Ca 0.55 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.63 3i56 h ARG 28 Cb 0.99 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.07 3i56 h ARG 28 CO -0.49 0.00 0.00 0.00 0.10 0.00 0.00 179.97 179.58 3i56 h ALA 29 N 2.05 1.00 -0.10 0.08 0.00 -1.24 -3.23 119.26 117.82 3i56 h ALA 29 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i56 h ALA 29 Cb 0.97 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3i56 h ALA 29 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 179.25 179.53 3i56 n VAL 30 N -2.58 1.28 -1.74 0.00 0.31 -1.00 -4.29 118.33 110.31 3i56 n VAL 30 Ca 0.05 -1.31 -0.42 0.00 -0.01 0.00 0.00 64.34 62.65 3i56 n VAL 30 Cb 0.46 0.30 -0.02 0.00 -0.91 0.00 0.00 33.84 33.67 3i56 n VAL 30 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3i56 n GLU 31 N -0.45 2.68 -3.60 5.55 4.07 -1.19 -4.98 120.64 122.73 3i56 n GLU 31 Ca 0.07 0.95 -0.39 0.00 -0.06 0.00 0.00 57.16 57.74 3i56 n GLU 31 Cb 0.42 -2.73 -0.11 0.00 -0.06 0.00 0.00 31.44 28.95 3i56 n GLU 31 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 3i56 s GLU 32 N -0.55 3.73 0.02 5.31 0.41 -1.26 -4.84 118.70 121.52 3i56 s GLU 32 Ca 0.64 -0.47 0.02 0.00 -0.41 0.00 0.00 54.97 54.75 3i56 s GLU 32 Cb -0.50 -3.66 -0.04 0.00 -1.78 0.00 0.00 34.13 28.16 3i56 s GLU 32 CO 0.49 -0.28 0.03 -0.06 -0.49 0.00 0.00 175.26 174.95 3i56 s PHE 33 N 1.72 3.11 0.30 1.61 0.40 -1.26 -5.13 117.98 118.74 3i56 s PHE 33 Ca 0.06 0.08 0.07 0.00 -0.60 0.00 0.00 56.93 56.54 3i56 s PHE 33 Cb -0.16 -1.65 -0.02 0.00 0.51 0.00 0.00 43.02 41.69 3i56 s PHE 33 CO 0.10 0.49 0.36 -0.51 0.70 0.00 0.00 175.22 176.35 3i56 s ASP 34 N -1.83 5.81 0.70 1.36 1.01 -1.26 -5.08 116.67 117.38 3i56 s ASP 34 Ca 0.22 -0.22 -0.16 0.00 0.71 0.00 0.00 52.55 53.11 3i56 s ASP 34 Cb -0.12 -1.33 0.02 0.00 1.01 0.00 0.00 42.92 42.50 3i56 s ASP 34 CO 0.14 -0.27 1.24 -1.81 0.21 0.00 0.00 175.17 174.68 3i56 s ASP 35 N -4.03 4.35 0.00 0.27 1.11 -1.26 -2.86 116.67 114.24 3i56 s ASP 35 Ca 0.40 2.47 0.00 0.00 0.18 0.00 0.00 52.55 55.59 3i56 s ASP 35 Cb -0.08 -2.60 0.00 0.00 1.07 0.00 0.00 42.92 41.31 3i56 s ASP 35 CO 0.29 -2.17 0.00 0.61 1.18 0.00 0.00 175.17 175.08 3i56 n GLY 36 N 0.62 2.68 3.72 0.21 0.00 0.14 -4.96 105.19 107.60 3i56 n GLY 36 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3i56 n GLY 36 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i56 s GLU 37 N 0.00 4.41 -0.09 1.61 2.02 -1.13 -4.68 118.70 120.83 3i56 s GLU 37 Ca 0.00 1.91 -0.28 0.00 0.02 0.00 0.00 54.97 56.63 3i56 s GLU 37 Cb 0.00 -3.28 -0.02 0.00 0.10 0.00 0.00 34.13 30.93 3i56 s GLU 37 CO 0.00 -0.27 0.91 0.15 0.02 0.00 0.00 175.26 176.07 3i56 s LYS 38 N 0.65 4.42 0.06 1.61 -0.14 -1.26 -0.81 119.74 124.27 3i56 s LYS 38 Ca 0.59 1.23 0.05 0.00 -1.36 0.00 0.00 55.97 56.48 3i56 s LYS 38 Cb -0.33 -3.52 -0.03 0.00 -1.68 0.00 0.00 37.83 32.27 3i56 s LYS 38 CO 0.32 -0.21 -0.15 0.14 -0.76 0.00 0.00 175.35 174.70 3i56 s VAL 39 N 1.65 1.18 -0.25 3.17 -7.23 -0.05 -2.27 120.40 116.60 3i56 s VAL 39 Ca 0.45 -1.21 -0.17 0.00 -1.81 0.00 0.00 61.98 59.24 3i56 s VAL 39 Cb -0.18 -1.10 -0.03 0.00 0.56 0.00 0.00 36.38 35.62 3i56 s VAL 39 CO 0.19 -0.11 0.49 -1.00 -0.31 0.00 0.00 175.10 174.35 3i56 s HIS 40 N -1.09 3.29 -0.32 2.82 3.76 0.16 -1.22 115.29 122.69 3i56 s HIS 40 Ca 0.00 0.63 -0.23 0.00 -0.15 0.00 0.00 55.06 55.31 3i56 s HIS 40 Cb -0.09 -2.68 0.00 0.00 1.11 0.00 0.00 32.58 30.92 3i56 s HIS 40 CO 0.02 -0.22 0.77 -0.51 -0.85 0.00 0.00 174.74 173.95 3i56 s LEU 41 N 2.08 4.10 -0.23 0.89 1.02 0.15 -2.35 118.68 124.34 3i56 s LEU 41 Ca 0.21 0.58 -0.08 0.00 0.02 0.00 0.00 54.13 54.85 3i56 s LEU 41 Cb -0.16 -3.04 0.10 0.00 0.02 0.00 0.00 46.19 43.11 3i56 s LEU 41 CO 0.09 -0.63 0.49 -0.75 0.02 0.00 0.00 176.35 175.58 3i56 s LYS 42 N 2.95 0.41 0.20 1.70 2.47 -0.90 -0.26 119.74 126.32 3i56 s LYS 42 Ca 0.31 1.13 -0.30 0.00 -1.56 0.00 0.00 55.97 55.56 3i56 s LYS 42 Cb -0.14 0.43 -0.08 0.00 -1.46 0.00 0.00 37.83 36.58 3i56 s LYS 42 CO 0.13 -0.22 1.15 0.42 0.16 0.00 0.00 175.35 176.99 3i56 s ILE 43 N 2.53 3.62 -0.26 5.43 1.01 -1.26 -4.38 121.20 127.88 3i56 s ILE 43 Ca -0.04 1.43 -0.19 0.00 0.00 0.00 0.00 60.65 61.85 3i56 s ILE 43 Cb -0.11 -3.91 -0.02 0.00 0.01 0.00 0.00 42.46 38.43 3i56 s ILE 43 CO -0.15 0.26 0.57 -0.62 0.00 0.00 0.00 174.94 175.00 3i56 s ASP 44 N -0.14 6.49 0.58 3.58 -1.08 -1.26 -4.96 116.67 119.88 3i56 s ASP 44 Ca 0.50 0.58 0.33 0.00 -0.52 0.00 0.00 52.55 53.44 3i56 s ASP 44 Cb -0.32 -2.31 1.78 0.00 -1.46 0.00 0.00 42.92 40.62 3i56 s ASP 44 CO 0.37 -0.34 2.18 -0.65 0.52 0.00 0.00 175.17 177.25 3i56 h PRO 45 N 7.99 0.00 0.00 4.34 0.11 -1.89 -2.83 132.00 139.72 3i56 h PRO 45 Ca -0.28 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.76 3i56 h PRO 45 Cb 1.13 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 3i56 h PRO 45 CO 0.75 0.05 -0.43 0.77 -0.21 0.00 0.00 178.00 178.92 3i56 h SER 46 N 0.00 0.00 -3.63 -2.05 0.02 -1.92 -3.43 113.55 102.54 3i56 h SER 46 Ca -0.00 0.00 -0.66 0.00 -0.84 0.00 0.00 61.79 60.29 3i56 h SER 46 Cb 0.20 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 62.58 3i56 h SER 46 CO 0.01 0.31 -0.19 -0.69 -1.14 0.00 0.00 176.83 175.12 3i56 s VAL 47 N -3.07 5.10 -0.08 2.27 1.01 -1.07 -4.80 120.40 119.77 3i56 s VAL 47 Ca 0.04 0.10 -0.27 0.00 0.00 0.00 0.00 61.98 61.85 3i56 s VAL 47 Cb 0.07 -3.90 -0.23 0.00 0.00 0.00 0.00 36.38 32.31 3i56 s VAL 47 CO 0.73 -0.18 1.01 -0.65 0.00 0.00 0.00 175.10 176.00 3i56 h PRO 48 N 8.50 0.01 -7.08 2.72 0.11 -1.84 -3.45 132.00 130.97 3i56 h PRO 48 Ca -0.29 -0.01 -0.45 0.00 0.11 0.00 0.00 66.00 65.36 3i56 h PRO 48 Cb 1.13 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 3i56 h PRO 48 CO 0.73 0.77 0.36 -0.80 -0.21 0.00 0.00 178.00 178.85 3i56 s ASN 49 N -6.00 6.69 -0.32 -2.05 0.01 -1.26 -4.32 114.94 107.70 3i56 s ASN 49 Ca -0.17 1.75 0.00 0.00 -0.71 0.00 0.00 52.86 53.72 3i56 s ASN 49 Cb -0.01 -2.54 0.00 0.00 0.41 0.00 0.00 41.25 39.11 3i56 s ASN 49 CO 0.69 -0.53 0.00 0.61 -1.51 0.00 0.00 177.10 176.35 3i56 n GLY 50 N -0.65 0.48 2.19 0.66 0.00 -1.26 -4.92 105.19 101.68 3i56 n GLY 50 Ca 0.08 -0.86 -0.16 0.00 0.00 0.00 0.00 46.02 45.07 3i56 n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i56 n ARG 51 N -2.31 -0.69 -4.07 1.61 1.74 -1.26 -2.61 116.66 109.07 3i56 n ARG 51 Ca -0.03 -1.18 -0.19 0.00 -0.77 0.00 0.00 57.85 55.67 3i56 n ARG 51 Cb 0.27 -0.76 -0.07 0.00 -1.02 0.00 0.00 32.46 30.88 3i56 n ARG 51 CO 0.00 0.00 0.00 1.97 -1.52 0.00 0.00 177.63 178.08 3i56 n PHE 52 N -3.00 -0.48 -2.35 -1.55 1.16 -1.26 -4.72 117.46 105.26 3i56 n PHE 52 Ca 0.09 -2.49 -0.43 0.00 -1.87 0.00 0.00 57.45 52.75 3i56 n PHE 52 Cb 0.33 0.19 -0.02 0.00 -1.61 0.00 0.00 39.48 38.36 3i56 n PHE 52 CO 0.00 0.00 0.00 -1.58 -1.87 0.00 0.00 176.76 173.31 3i56 s HIS 53 N -3.15 2.76 0.30 2.97 5.65 -1.26 -4.87 115.29 117.69 3i56 s HIS 53 Ca 0.31 0.89 0.06 0.00 0.25 0.00 0.00 55.06 56.58 3i56 s HIS 53 Cb 0.02 -3.57 0.34 0.00 -1.18 0.00 0.00 32.58 28.19 3i56 s HIS 53 CO 0.22 -2.04 1.04 -1.35 -0.65 0.00 0.00 174.74 171.96 3i56 h PRO 54 N 8.29 0.00 0.00 2.88 0.11 -2.00 -0.36 132.00 140.92 3i56 h PRO 54 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 3i56 h PRO 54 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3i56 h PRO 54 CO 0.95 0.00 0.00 -0.09 -0.21 0.00 0.00 178.00 178.65 3i56 h ARG 55 N 0.00 0.00 -0.38 1.05 2.43 -1.89 -2.77 114.38 112.81 3i56 h ARG 55 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3i56 h ARG 55 Cb 1.22 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.77 3i56 h ARG 55 CO 0.00 0.00 0.00 1.19 -1.51 0.00 0.00 179.97 179.65 3i56 n PHE 56 N -2.80 0.49 -1.91 2.20 3.72 -0.15 -4.93 117.46 114.09 3i56 n PHE 56 Ca 0.01 -0.25 -0.42 0.00 -0.05 0.00 0.00 57.45 56.75 3i56 n PHE 56 Cb 0.30 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.81 3i56 n PHE 56 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3i56 s ASP 57 N -1.47 6.61 0.00 4.37 2.15 -1.05 -2.26 116.67 125.02 3i56 s ASP 57 Ca 0.38 2.37 0.00 0.00 0.43 0.00 0.00 52.55 55.74 3i56 s ASP 57 Cb 0.22 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.31 3i56 s ASP 57 CO 0.31 -0.95 0.00 0.61 -0.17 0.00 0.00 175.17 174.97 3i56 n GLY 58 N 4.22 0.70 3.82 2.66 0.00 0.64 -5.01 105.19 112.22 3i56 n GLY 58 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 3i56 n GLY 58 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i56 s GLN 59 N -0.55 3.32 -0.39 1.61 -1.52 -0.96 -4.83 119.66 116.34 3i56 s GLN 59 Ca 0.00 1.01 0.02 0.00 -1.95 0.00 0.00 55.36 54.44 3i56 s GLN 59 Cb 0.00 -2.04 0.12 0.00 -0.22 0.00 0.00 33.01 30.86 3i56 s GLN 59 CO 0.00 -0.79 0.15 0.99 -0.25 0.00 0.00 175.29 175.39 3i56 s THR 60 N -2.79 1.64 0.50 -0.19 2.01 -1.26 -0.67 115.64 114.87 3i56 s THR 60 Ca 0.60 -2.28 0.01 0.00 0.31 0.00 0.00 61.69 60.33 3i56 s THR 60 Cb -0.14 -2.18 0.10 0.00 0.01 0.00 0.00 72.50 70.29 3i56 s THR 60 CO 0.45 -0.74 0.68 0.61 -0.69 0.00 0.00 174.62 174.93 3i56 n GLY 61 N 4.03 0.93 3.10 4.40 0.00 -0.35 -4.83 105.19 112.46 3i56 n GLY 61 Ca 0.04 -2.05 -0.32 0.00 0.00 0.00 0.00 46.02 43.69 3i56 n GLY 61 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i56 s THR 62 N -2.02 1.91 0.06 2.61 2.01 -0.28 -0.88 115.64 119.04 3i56 s THR 62 Ca 0.46 -0.85 -0.31 0.00 0.31 0.00 0.00 61.69 61.31 3i56 s THR 62 Cb -0.03 -1.73 -0.08 0.00 0.01 0.00 0.00 72.50 70.67 3i56 s THR 62 CO 0.31 0.52 1.62 -0.69 -0.69 0.00 0.00 174.62 175.68 3i56 s VAL 63 N 1.25 3.15 -0.14 3.82 1.01 0.01 -0.76 120.40 128.74 3i56 s VAL 63 Ca 0.03 0.57 0.16 0.00 0.00 0.00 0.00 61.98 62.74 3i56 s VAL 63 Cb -0.13 -3.37 0.41 0.00 0.00 0.00 0.00 36.38 33.29 3i56 s VAL 63 CO -0.10 -0.00 1.20 -0.62 0.00 0.00 0.00 175.10 175.57 3i56 n GLU 64 N 5.63 1.06 0.00 2.72 -0.58 -0.64 0.26 120.64 129.10 3i56 n GLU 64 Ca 0.16 -2.83 0.00 0.00 -0.42 0.00 0.00 57.16 54.06 3i56 n GLU 64 Cb 0.41 -1.09 0.00 0.00 -0.57 0.00 0.00 31.44 30.19 3i56 n GLU 64 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3i56 n GLY 65 N -0.61 2.30 3.22 0.62 0.00 -1.25 -4.95 105.19 104.53 3i56 n GLY 65 Ca 0.15 -2.03 -0.18 0.00 0.00 0.00 0.00 46.02 43.95 3i56 n GLY 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i56 s LYS 66 N -1.72 0.97 -0.48 1.61 -2.85 -1.26 -0.60 119.74 115.41 3i56 s LYS 66 Ca 0.00 -1.16 0.03 0.00 -1.00 0.00 0.00 55.97 53.85 3i56 s LYS 66 Cb 0.00 -0.90 0.13 0.00 -2.06 0.00 0.00 37.83 35.00 3i56 s LYS 66 CO 0.00 0.18 0.23 -1.14 0.10 0.00 0.00 175.35 174.72 3i56 s GLN 67 N -2.38 1.74 5.91 1.78 0.74 -0.21 -4.87 119.66 122.36 3i56 s GLN 67 Ca 0.06 -2.37 0.00 0.00 0.05 0.00 0.00 55.36 53.10 3i56 s GLN 67 Cb -0.06 -3.05 0.00 0.00 1.10 0.00 0.00 33.01 31.00 3i56 s GLN 67 CO 0.03 -1.10 0.00 0.41 -0.55 0.00 0.00 175.29 174.08 3i56 n GLY 68 N 3.37 0.31 0.12 2.59 0.00 -1.26 -3.19 105.19 107.12 3i56 n GLY 68 Ca 0.05 -0.71 0.05 0.00 0.00 0.00 0.00 46.02 45.42 3i56 n GLY 68 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3i56 h ASP 69 N 0.00 0.00 -4.21 1.61 3.32 -2.00 -3.46 116.42 111.68 3i56 h ASP 69 Ca 0.00 0.00 -0.48 0.00 0.02 0.00 0.00 57.03 56.57 3i56 h ASP 69 Cb 0.00 0.00 0.04 0.00 0.22 0.00 0.00 39.33 39.59 3i56 h ASP 69 CO 0.00 0.31 0.38 0.00 -1.72 0.00 0.00 179.24 178.21 3i56 s ALA 70 N -3.11 2.95 -0.00 3.45 0.00 -1.19 -4.73 121.76 119.12 3i56 s ALA 70 Ca -0.00 0.23 -0.02 0.00 0.00 0.00 0.00 51.96 52.17 3i56 s ALA 70 Cb 0.09 -3.16 -0.04 0.00 0.00 0.00 0.00 23.12 20.01 3i56 s ALA 70 CO 0.78 -0.49 0.17 0.71 0.00 0.00 0.00 175.76 176.94 3i56 s TYR 71 N -2.61 3.51 -0.44 0.00 1.51 0.17 -1.04 117.35 118.44 3i56 s TYR 71 Ca 0.60 0.32 -0.15 0.00 -1.01 0.00 0.00 57.07 56.83 3i56 s TYR 71 Cb -0.12 -1.81 0.05 0.00 -0.11 0.00 0.00 41.96 39.97 3i56 s TYR 71 CO 0.35 0.63 0.36 0.15 -1.11 0.00 0.00 175.55 175.93 3i56 s LYS 72 N -1.98 2.98 -0.21 -0.62 1.02 0.23 -0.60 119.74 120.56 3i56 s LYS 72 Ca 0.28 -1.19 -0.05 0.00 0.02 0.00 0.00 55.97 55.03 3i56 s LYS 72 Cb -0.13 -4.06 -0.02 0.00 -0.52 0.00 0.00 37.83 33.10 3i56 s LYS 72 CO 0.19 -0.91 0.00 0.08 -0.92 0.00 0.00 175.35 173.80 3i56 s VAL 73 N 1.69 3.93 -0.27 3.17 1.01 0.60 -1.62 120.40 128.91 3i56 s VAL 73 Ca 0.05 -0.32 -0.25 0.00 0.00 0.00 0.00 61.98 61.46 3i56 s VAL 73 Cb -0.22 -2.78 -0.00 0.00 0.00 0.00 0.00 36.38 33.38 3i56 s VAL 73 CO 0.08 0.42 0.86 -1.81 0.00 0.00 0.00 175.10 174.65 3i56 s ASP 74 N 1.08 6.81 0.43 3.32 1.11 0.06 -0.56 116.67 128.92 3i56 s ASP 74 Ca 0.02 0.95 0.03 0.00 0.18 0.00 0.00 52.55 53.73 3i56 s ASP 74 Cb -0.14 -2.44 -0.04 0.00 1.07 0.00 0.00 42.92 41.36 3i56 s ASP 74 CO 0.01 -0.59 0.04 0.27 1.18 0.00 0.00 175.17 176.09 3i56 s ILE 75 N 2.98 1.20 -0.20 0.77 -4.36 -0.16 -1.13 121.20 120.31 3i56 s ILE 75 Ca 0.36 -2.00 -0.01 0.00 -0.26 0.00 0.00 60.65 58.74 3i56 s ILE 75 Cb -0.15 -2.48 0.05 0.00 1.25 0.00 0.00 42.46 41.13 3i56 s ILE 75 CO 0.10 0.00 -0.02 -0.69 0.24 0.00 0.00 174.94 174.57 3i56 s VAL 76 N -2.99 1.01 -0.67 8.37 1.01 -1.26 -1.22 120.40 124.64 3i56 s VAL 76 Ca 0.21 -0.77 -0.20 0.00 0.00 0.00 0.00 61.98 61.22 3i56 s VAL 76 Cb 0.05 -1.33 0.10 0.00 0.00 0.00 0.00 36.38 35.20 3i56 s VAL 76 CO 0.11 -0.06 0.86 -0.62 0.00 0.00 0.00 175.10 175.38 3i56 s ASP 77 N 1.65 6.27 0.00 3.32 -1.08 0.18 -4.77 116.67 122.25 3i56 s ASP 77 Ca -0.02 -1.43 0.00 0.00 -0.52 0.00 0.00 52.55 50.58 3i56 s ASP 77 Cb -0.17 -2.35 0.00 0.00 -1.46 0.00 0.00 42.92 38.94 3i56 s ASP 77 CO -0.07 -1.19 0.00 0.61 0.52 0.00 0.00 175.17 175.03 3i56 n GLY 78 N 5.27 1.57 0.00 2.66 0.00 -1.26 -1.25 105.19 112.19 3i56 n GLY 78 Ca -0.02 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.26 3i56 n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i56 n GLY 79 N 0.00 0.88 3.74 -0.02 0.00 -1.26 -5.06 105.19 103.47 3i56 n GLY 79 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3i56 n GLY 79 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i56 s LYS 80 N -0.26 4.23 0.12 1.61 2.20 -0.38 -5.07 119.74 122.20 3i56 s LYS 80 Ca 0.00 0.29 -0.30 0.00 -0.36 0.00 0.00 55.97 55.60 3i56 s LYS 80 Cb 0.00 -3.40 -0.06 0.00 -1.51 0.00 0.00 37.83 32.86 3i56 s LYS 80 CO 0.00 0.28 0.98 -1.21 -0.36 0.00 0.00 175.35 175.04 3i56 s GLU 81 N 0.30 4.68 0.04 4.03 2.02 -1.26 0.51 118.70 129.02 3i56 s GLU 81 Ca 0.21 1.49 0.01 0.00 0.02 0.00 0.00 54.97 56.71 3i56 s GLU 81 Cb -0.14 -3.36 -0.03 0.00 0.10 0.00 0.00 34.13 30.70 3i56 s GLU 81 CO 0.08 0.19 -0.06 0.15 0.02 0.00 0.00 175.26 175.64 3i56 s LYS 82 N -0.05 0.52 -0.23 1.61 1.02 -0.36 -4.90 119.74 117.34 3i56 s LYS 82 Ca 0.47 -0.85 -0.01 0.00 0.02 0.00 0.00 55.97 55.60 3i56 s LYS 82 Cb -0.24 -0.10 0.02 0.00 -0.52 0.00 0.00 37.83 36.99 3i56 s LYS 82 CO 0.31 -0.01 -0.09 0.99 -0.92 0.00 0.00 175.35 175.63 3i56 s THR 83 N -2.02 2.71 -0.24 2.17 2.01 -1.26 -0.98 115.64 118.03 3i56 s THR 83 Ca -0.07 -1.01 -0.08 0.00 0.31 0.00 0.00 61.69 60.84 3i56 s THR 83 Cb -0.06 -2.34 -0.04 0.00 0.01 0.00 0.00 72.50 70.07 3i56 s THR 83 CO -0.02 0.26 0.10 -0.63 -0.69 0.00 0.00 174.62 173.65 3i56 s ILE 84 N 1.31 4.72 -0.35 1.82 1.01 0.27 -4.88 121.20 125.11 3i56 s ILE 84 Ca 0.01 -0.04 -0.24 0.00 0.00 0.00 0.00 60.65 60.38 3i56 s ILE 84 Cb -0.16 -3.20 0.01 0.00 0.01 0.00 0.00 42.46 39.12 3i56 s ILE 84 CO -0.06 0.35 0.83 -0.63 0.00 0.00 0.00 174.94 175.43 3i56 s ILE 85 N 1.33 4.70 -0.09 2.92 -1.09 -1.26 -0.29 121.20 127.42 3i56 s ILE 85 Ca 0.06 1.07 -0.13 0.00 -2.23 0.00 0.00 60.65 59.41 3i56 s ILE 85 Cb -0.15 -4.23 0.03 0.00 -1.58 0.00 0.00 42.46 36.53 3i56 s ILE 85 CO 0.05 -0.41 0.34 0.54 -1.23 0.00 0.00 174.94 174.22 3i56 s VAL 86 N 3.18 0.02 0.68 2.92 0.11 0.23 -4.70 120.40 122.84 3i56 s VAL 86 Ca 0.34 -0.16 -0.11 0.00 -2.93 0.00 0.00 61.98 59.12 3i56 s VAL 86 Cb -0.13 -0.54 0.00 0.00 -1.53 0.00 0.00 36.38 34.19 3i56 s VAL 86 CO 0.16 -0.09 1.07 0.42 -3.33 0.00 0.00 175.10 173.33 3i56 s THR 87 N -0.32 3.71 0.50 5.04 -4.23 -1.07 0.41 115.64 119.67 3i56 s THR 87 Ca -0.05 0.50 0.15 0.00 -1.18 0.00 0.00 61.69 61.11 3i56 s THR 87 Cb -0.03 -3.54 0.26 0.00 1.34 0.00 0.00 72.50 70.53 3i56 s THR 87 CO 0.02 -0.70 2.12 0.00 -0.54 0.00 0.00 174.62 175.52 3i56 h ALA 88 N -0.55 1.93 -0.38 3.99 0.00 -1.85 -2.94 119.26 119.46 3i56 h ALA 88 Ca -0.45 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 54.55 3i56 h ALA 88 Cb 1.24 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 3i56 h ALA 88 CO 0.63 0.06 0.41 0.00 0.00 0.00 0.00 179.25 180.35 3i56 h ALA 89 N 1.95 2.07 -0.27 0.00 0.00 -1.74 0.12 119.26 121.39 3i56 h ALA 89 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i56 h ALA 89 Cb 0.03 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3i56 h ALA 89 CO -0.00 -0.61 0.00 0.72 0.00 0.00 0.00 179.25 179.36 3i56 n HIS 90 N -3.71 0.82 -4.56 0.00 -0.00 -1.11 -4.59 115.22 102.06 3i56 n HIS 90 Ca 0.06 -0.80 -0.23 0.00 -0.00 0.00 0.00 57.72 56.75 3i56 n HIS 90 Cb 0.58 -0.25 -0.14 0.00 -0.00 0.00 0.00 29.99 30.18 3i56 n HIS 90 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 3i56 s LEU 91 N -2.45 2.15 0.04 2.41 1.43 0.03 -2.12 118.68 120.16 3i56 s LEU 91 Ca 0.38 -0.46 0.03 0.00 -1.03 0.00 0.00 54.13 53.05 3i56 s LEU 91 Cb 0.29 -0.82 -0.02 0.00 0.03 0.00 0.00 46.19 45.67 3i56 s LEU 91 CO 0.10 0.12 -0.10 -0.13 0.23 0.00 0.00 176.35 176.57 3i56 s ARG 92 N -1.04 0.68 0.50 1.70 1.81 -0.99 -4.95 118.95 116.66 3i56 s ARG 92 Ca 0.05 -0.68 -0.20 0.00 -1.72 0.00 0.00 55.73 53.18 3i56 s ARG 92 Cb -0.08 -0.60 -0.08 0.00 -0.45 0.00 0.00 34.95 33.75 3i56 s ARG 92 CO 0.01 0.14 1.07 1.03 -0.68 0.00 0.00 175.30 176.87 3i56 s ARG 93 N -1.18 3.67 0.25 3.54 0.52 -1.26 0.36 118.95 124.85 3i56 s ARG 93 Ca -0.03 1.46 -0.20 0.00 -0.52 0.00 0.00 55.73 56.44 3i56 s ARG 93 Cb -0.08 -2.10 -0.09 0.00 0.52 0.00 0.00 34.95 33.21 3i56 s ARG 93 CO 0.01 -0.55 0.76 -1.14 0.02 0.00 0.00 175.30 174.40 3i56 s GLN 94 N -3.20 4.28 0.00 3.54 0.74 -0.96 -4.75 119.66 119.30 3i56 s GLN 94 Ca 0.68 0.93 0.00 0.00 0.05 0.00 0.00 55.36 57.02 3i56 s GLN 94 Cb -0.19 -2.81 0.00 0.00 1.10 0.00 0.00 33.01 31.11 3i56 s GLN 94 CO 0.23 0.34 0.00 0.39 -0.55 0.00 0.00 175.29 175.70