#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m90 n SER 2 N 0.00 0.58 -4.00 2.55 3.41 -1.26 -4.90 113.62 110.01 1m90 n SER 2 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.52 1m90 n SER 2 Cb 0.00 0.17 -0.07 0.00 -0.26 0.00 0.00 64.21 64.04 1m90 n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1m90 s SER 3 N -3.70 0.04 -0.19 4.04 1.04 -1.26 -5.10 113.70 108.57 1m90 s SER 3 Ca 0.08 -0.95 0.17 0.00 0.48 0.00 0.00 55.95 55.73 1m90 s SER 3 Cb 0.15 0.45 0.46 0.00 0.10 0.00 0.00 66.02 67.18 1m90 s SER 3 CO 0.70 -0.93 1.17 -3.20 0.98 0.00 0.00 173.24 171.97 1m90 n ASN 4 N -0.25 2.24 -4.85 7.02 5.15 -1.26 -4.94 115.26 118.37 1m90 n ASN 4 Ca -0.05 -2.88 -0.29 0.00 -0.60 0.00 0.00 54.58 50.76 1m90 n ASN 4 Cb 0.63 -0.41 0.10 0.00 -0.53 0.00 0.00 39.78 39.57 1m90 n ASN 4 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1m90 s GLY 5 N -3.14 1.59 0.36 8.20 0.00 -1.26 -4.96 107.32 108.11 1m90 s GLY 5 Ca 0.37 -0.55 0.05 0.00 0.00 0.00 0.00 44.72 44.59 1m90 s GLY 5 CO -0.06 -0.05 1.98 -2.55 0.00 0.00 0.00 173.10 172.42 1m90 h PRO 6 N -1.18 0.73 -0.39 2.90 0.11 -2.05 -2.56 132.00 129.58 1m90 h PRO 6 Ca -0.48 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1m90 h PRO 6 Cb 1.32 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1m90 h PRO 6 CO 0.64 0.49 0.00 1.28 -0.21 0.00 0.00 178.00 180.20 1m90 n LEU 7 N -4.47 1.82 -4.69 2.35 4.77 -1.26 -4.65 117.00 110.87 1m90 n LEU 7 Ca 0.09 -0.91 -0.42 0.00 -0.03 0.00 0.00 56.01 54.74 1m90 n LEU 7 Cb 0.17 -0.26 -0.03 0.00 -2.33 0.00 0.00 43.42 40.97 1m90 n LEU 7 CO 0.34 0.40 1.35 -0.70 -1.33 0.00 0.00 177.39 177.46 1m90 s GLU 8 N -1.62 4.19 -1.13 3.23 -6.30 -0.97 -2.31 118.70 113.80 1m90 s GLU 8 Ca 0.20 2.37 0.00 0.00 -2.50 0.00 0.00 54.97 55.05 1m90 s GLU 8 Cb 0.12 -3.59 0.00 0.00 0.00 0.00 0.00 34.13 30.65 1m90 s GLU 8 CO 0.13 -0.75 0.00 0.41 0.02 0.00 0.00 175.26 175.07 1m90 n GLY 9 N 4.03 0.10 0.97 -1.50 0.00 -1.26 -4.91 105.19 102.62 1m90 n GLY 9 Ca 0.16 -0.37 0.08 0.00 0.00 0.00 0.00 46.02 45.89 1m90 n GLY 9 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1m90 n THR 10 N -3.78 1.91 -0.32 2.61 -2.24 -0.98 -4.66 114.28 106.83 1m90 n THR 10 Ca -0.15 -1.52 -0.00 0.00 -2.27 0.00 0.00 64.05 60.11 1m90 n THR 10 Cb 0.58 0.00 0.13 0.00 -2.10 0.00 0.00 70.33 68.94 1m90 n THR 10 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1m90 h ARG 11 N 2.29 1.00 0.07 -0.78 2.43 -1.91 -2.20 114.38 115.28 1m90 h ARG 11 Ca 0.00 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1m90 h ARG 11 Cb 1.28 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 1m90 h ARG 11 CO 0.18 0.66 -0.03 0.78 -1.51 0.00 0.00 179.97 180.05 1m90 h GLY 12 N 1.03 -0.10 2.00 2.80 0.00 -1.94 -3.32 103.07 103.54 1m90 h GLY 12 Ca 0.37 0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.73 1m90 h GLY 12 CO -0.15 -0.03 0.00 0.07 0.00 0.00 0.00 176.54 176.43 1m90 h LYS 13 N -0.99 0.00 -0.26 4.80 2.10 -1.87 -2.72 116.57 117.63 1m90 h LYS 13 Ca -0.01 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.53 1m90 h LYS 13 Cb 0.36 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 31.63 1m90 h LYS 13 CO 0.02 0.00 -0.11 1.28 -2.00 0.00 0.00 179.45 178.64 1m90 n LEU 14 N -2.96 3.74 -4.15 7.07 4.77 -0.83 -4.87 117.00 119.77 1m90 n LEU 14 Ca -0.02 -3.58 -0.24 0.00 -0.03 0.00 0.00 56.01 52.13 1m90 n LEU 14 Cb 0.10 -0.59 -0.15 0.00 -2.33 0.00 0.00 43.42 40.45 1m90 n LEU 14 CO 0.20 1.11 -0.50 -0.75 -1.33 0.00 0.00 177.39 176.12 1m90 s LYS 15 N -3.13 1.38 0.23 3.23 2.20 -1.03 -4.77 119.74 117.85 1m90 s LYS 15 Ca 0.42 -0.60 -0.11 0.00 -0.36 0.00 0.00 55.97 55.32 1m90 s LYS 15 Cb 0.38 -1.33 -0.07 0.00 -1.51 0.00 0.00 37.83 35.30 1m90 s LYS 15 CO 0.01 0.36 0.56 -0.80 -0.36 0.00 0.00 175.35 175.12 1m90 s ASN 16 N -0.38 6.66 0.38 1.43 0.02 -1.26 -4.96 114.94 116.83 1m90 s ASN 16 Ca 0.06 0.97 -0.27 0.00 -1.02 0.00 0.00 52.86 52.61 1m90 s ASN 16 Cb -0.07 -2.25 -0.09 0.00 0.02 0.00 0.00 41.25 38.87 1m90 s ASN 16 CO -0.01 -0.06 1.23 -0.54 0.02 0.00 0.00 177.10 177.75 1m90 s LYS 17 N -2.72 4.13 0.43 -0.60 3.01 -1.26 -4.86 119.74 117.87 1m90 s LYS 17 Ca 0.47 2.01 0.32 0.00 -1.01 0.00 0.00 55.97 57.75 1m90 s LYS 17 Cb -0.12 -2.82 1.46 0.00 -1.01 0.00 0.00 37.83 35.34 1m90 s LYS 17 CO 0.21 -0.31 1.53 -2.30 0.51 0.00 0.00 175.35 174.99 1m90 n PRO 18 N 0.33 -0.04 0.20 -1.68 -0.02 -1.26 -0.80 135.00 131.73 1m90 n PRO 18 Ca 0.03 1.23 0.09 0.00 -2.02 0.00 0.00 63.50 62.83 1m90 n PRO 18 Cb 0.44 -2.42 0.13 0.00 -0.02 0.00 0.00 33.50 31.63 1m90 n PRO 18 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1m90 h ARG 19 N 0.00 0.00 -0.25 -0.52 3.08 -2.05 -3.06 114.38 111.58 1m90 h ARG 19 Ca 0.86 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.91 1m90 h ARG 19 Cb 2.76 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.81 1m90 h ARG 19 CO -0.46 0.14 0.00 -0.25 -1.07 0.00 0.00 179.97 178.33 1m90 n ASP 20 N -3.13 2.13 -4.71 7.04 8.00 0.02 -4.94 116.55 120.96 1m90 n ASP 20 Ca 0.03 -1.81 -0.35 0.00 0.71 0.00 0.00 54.79 53.37 1m90 n ASP 20 Cb 0.59 -0.16 0.10 0.00 -0.02 0.00 0.00 41.12 41.63 1m90 n ASP 20 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1m90 s ARG 21 N -1.68 2.09 0.00 -1.24 3.52 -1.15 -4.88 118.95 115.62 1m90 s ARG 21 Ca 0.33 1.91 0.00 0.00 -0.13 0.00 0.00 55.73 57.84 1m90 s ARG 21 Cb 0.18 -1.81 0.00 0.00 -1.56 0.00 0.00 34.95 31.76 1m90 s ARG 21 CO 0.26 -1.91 0.00 0.41 -0.81 0.00 0.00 175.30 173.25 1m90 n GLY 22 N 0.69 -0.71 2.61 8.12 0.00 -1.26 -4.97 105.19 109.68 1m90 n GLY 22 Ca 0.15 -1.64 -0.41 0.00 0.00 0.00 0.00 46.02 44.11 1m90 n GLY 22 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1m90 n THR 23 N -0.52 0.56 -2.69 2.61 -1.04 -1.26 -4.86 114.28 107.08 1m90 n THR 23 Ca 0.00 -0.14 -0.28 0.00 -2.04 0.00 0.00 64.05 61.59 1m90 n THR 23 Cb 0.00 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.50 1m90 n THR 23 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1m90 s SER 24 N -0.28 6.30 0.34 8.00 0.01 -1.26 -5.03 113.70 121.77 1m90 s SER 24 Ca 0.61 0.94 -0.29 0.00 1.31 0.00 0.00 55.95 58.52 1m90 s SER 24 Cb -0.86 -2.25 -0.10 0.00 0.21 0.00 0.00 66.02 63.01 1m90 s SER 24 CO 0.43 -0.54 1.37 -2.84 0.41 0.00 0.00 173.24 172.07 1m90 s PRO 25 N -4.61 4.27 0.47 12.44 0.02 -1.26 -4.92 135.00 141.42 1m90 s PRO 25 Ca 0.48 2.33 0.30 0.00 0.02 0.00 0.00 61.00 64.13 1m90 s PRO 25 Cb -0.10 -3.04 1.11 0.00 0.02 0.00 0.00 34.50 32.48 1m90 s PRO 25 CO 0.43 -0.31 1.87 -1.35 -0.33 0.00 0.00 177.00 177.31 1m90 h PRO 26 N 3.44 0.00 -0.62 5.54 0.11 -2.00 -3.32 132.00 135.15 1m90 h PRO 26 Ca -0.49 0.00 0.13 0.00 0.11 0.00 0.00 66.00 65.75 1m90 h PRO 26 Cb 1.23 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.23 1m90 h PRO 26 CO 0.66 0.00 -0.04 0.37 -0.21 0.00 0.00 178.00 178.79 1m90 h GLN 27 N 0.00 0.08 -0.00 1.05 5.75 -2.00 -0.33 115.11 119.66 1m90 h GLN 27 Ca 0.00 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1m90 h GLN 27 Cb 0.59 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.12 1m90 h GLN 27 CO 0.00 0.05 -0.04 2.89 -2.65 0.00 0.00 178.83 179.08 1m90 n ARG 28 N -5.32 0.63 0.02 1.69 1.85 -1.25 -2.81 116.66 111.48 1m90 n ARG 28 Ca 0.09 -0.10 0.12 0.00 -1.00 0.00 0.00 57.85 56.96 1m90 n ARG 28 Cb 0.35 -1.50 0.20 0.00 -1.05 0.00 0.00 32.46 30.47 1m90 n ARG 28 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1m90 n ALA 29 N -1.09 3.30 0.31 2.89 0.00 -0.16 -3.15 120.51 122.61 1m90 n ALA 29 Ca 0.16 -0.32 0.03 0.00 0.00 0.00 0.00 53.44 53.32 1m90 n ALA 29 Cb 0.24 -1.13 -0.01 0.00 0.00 0.00 0.00 19.45 18.55 1m90 n ALA 29 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1m90 n VAL 30 N -1.77 0.00 -1.46 0.00 0.31 -1.07 -4.32 118.33 110.02 1m90 n VAL 30 Ca 0.04 -0.41 -0.42 0.00 -0.01 0.00 0.00 64.34 63.55 1m90 n VAL 30 Cb 0.38 1.06 0.01 0.00 -0.91 0.00 0.00 33.84 34.38 1m90 n VAL 30 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1m90 n GLU 31 N -0.51 0.61 -4.89 5.55 4.07 -1.12 -4.97 120.64 119.38 1m90 n GLU 31 Ca 0.03 0.22 -0.33 0.00 -0.06 0.00 0.00 57.16 57.02 1m90 n GLU 31 Cb 0.14 -1.53 -0.13 0.00 -0.06 0.00 0.00 31.44 29.86 1m90 n GLU 31 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 1m90 s GLU 32 N -1.59 2.54 0.20 5.31 0.41 -1.26 -4.83 118.70 119.48 1m90 s GLU 32 Ca 0.63 -0.70 0.10 0.00 -0.41 0.00 0.00 54.97 54.59 1m90 s GLU 32 Cb -0.61 -2.39 -0.04 0.00 -1.78 0.00 0.00 34.13 29.31 1m90 s GLU 32 CO 0.58 0.60 -0.20 -0.06 -0.49 0.00 0.00 175.26 175.70 1m90 s PHE 33 N -0.68 2.01 0.05 1.61 0.40 -1.26 -5.14 117.98 114.96 1m90 s PHE 33 Ca 0.10 -0.43 0.04 0.00 -0.60 0.00 0.00 56.93 56.05 1m90 s PHE 33 Cb -0.11 -0.97 -0.04 0.00 0.51 0.00 0.00 43.02 42.42 1m90 s PHE 33 CO 0.01 0.44 -0.06 -0.51 0.70 0.00 0.00 175.22 175.80 1m90 s ASP 34 N -2.88 4.68 0.18 1.36 1.01 -1.26 -5.04 116.67 114.71 1m90 s ASP 34 Ca 0.20 -0.20 -0.33 0.00 0.71 0.00 0.00 52.55 52.93 1m90 s ASP 34 Cb -0.06 -1.06 -0.15 0.00 1.01 0.00 0.00 42.92 42.66 1m90 s ASP 34 CO 0.09 0.23 1.23 0.47 0.21 0.00 0.00 175.17 177.40 1m90 n ASP 35 N 1.13 1.63 0.00 0.27 8.00 -1.26 -0.35 116.55 125.97 1m90 n ASP 35 Ca -0.14 1.14 0.00 0.00 0.71 0.00 0.00 54.79 56.50 1m90 n ASP 35 Cb 0.52 -1.25 0.00 0.00 -0.02 0.00 0.00 41.12 40.37 1m90 n ASP 35 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1m90 n GLY 36 N 2.11 3.35 3.77 0.44 0.00 0.14 -4.98 105.19 110.02 1m90 n GLY 36 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 1m90 n GLY 36 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1m90 s GLU 37 N -0.71 4.03 -0.13 1.61 2.02 0.52 -4.71 118.70 121.33 1m90 s GLU 37 Ca 0.00 2.07 -0.19 0.00 0.02 0.00 0.00 54.97 56.87 1m90 s GLU 37 Cb 0.00 -2.77 -0.04 0.00 0.10 0.00 0.00 34.13 31.43 1m90 s GLU 37 CO 0.00 -0.42 0.52 0.15 0.02 0.00 0.00 175.26 175.53 1m90 s LYS 38 N -2.21 4.32 0.00 1.61 -0.14 -1.26 -1.08 119.74 120.98 1m90 s LYS 38 Ca 0.56 0.51 0.04 0.00 -1.36 0.00 0.00 55.97 55.72 1m90 s LYS 38 Cb -0.36 -3.46 -0.01 0.00 -1.68 0.00 0.00 37.83 32.31 1m90 s LYS 38 CO 0.46 0.08 -0.12 0.14 -0.76 0.00 0.00 175.35 175.15 1m90 s VAL 39 N 0.87 0.93 0.05 3.17 -7.23 -0.43 -1.30 120.40 116.46 1m90 s VAL 39 Ca 0.27 -0.62 -0.23 0.00 -1.81 0.00 0.00 61.98 59.60 1m90 s VAL 39 Cb -0.16 -0.80 -0.06 0.00 0.56 0.00 0.00 36.38 35.92 1m90 s VAL 39 CO 0.11 0.18 0.69 -1.00 -0.31 0.00 0.00 175.10 174.77 1m90 s HIS 40 N -0.43 3.75 -0.17 2.82 3.76 0.67 -1.22 115.29 124.48 1m90 s HIS 40 Ca 0.03 1.38 -0.13 0.00 -0.15 0.00 0.00 55.06 56.19 1m90 s HIS 40 Cb -0.05 -2.70 -0.05 0.00 1.11 0.00 0.00 32.58 30.89 1m90 s HIS 40 CO -0.00 0.37 0.25 -0.51 -0.85 0.00 0.00 174.74 174.00 1m90 s LEU 41 N -0.38 4.23 -0.30 0.89 1.02 0.13 -2.36 118.68 121.91 1m90 s LEU 41 Ca 0.34 0.43 -0.08 0.00 0.02 0.00 0.00 54.13 54.85 1m90 s LEU 41 Cb -0.20 -2.30 0.16 0.00 0.02 0.00 0.00 46.19 43.88 1m90 s LEU 41 CO 0.21 0.12 0.74 -0.75 0.02 0.00 0.00 176.35 176.70 1m90 s LYS 42 N 0.43 0.47 0.21 1.70 2.47 -0.77 -0.92 119.74 123.33 1m90 s LYS 42 Ca 0.14 1.02 -0.30 0.00 -1.56 0.00 0.00 55.97 55.26 1m90 s LYS 42 Cb -0.12 0.59 -0.10 0.00 -1.46 0.00 0.00 37.83 36.74 1m90 s LYS 42 CO 0.02 -0.34 1.44 0.42 0.16 0.00 0.00 175.35 177.05 1m90 s ILE 43 N 2.81 2.82 -0.43 5.43 1.01 -1.26 -4.48 121.20 127.10 1m90 s ILE 43 Ca 0.05 0.65 -0.22 0.00 0.00 0.00 0.00 60.65 61.13 1m90 s ILE 43 Cb -0.12 -3.42 0.02 0.00 0.01 0.00 0.00 42.46 38.96 1m90 s ILE 43 CO -0.18 0.09 0.73 -0.62 0.00 0.00 0.00 174.94 174.95 1m90 s ASP 44 N 0.62 6.39 0.50 3.58 -1.08 -1.26 -4.93 116.67 120.49 1m90 s ASP 44 Ca 0.62 -0.14 0.33 0.00 -0.52 0.00 0.00 52.55 52.84 1m90 s ASP 44 Cb -0.41 -2.36 1.45 0.00 -1.46 0.00 0.00 42.92 40.14 1m90 s ASP 44 CO 0.38 -0.84 1.77 -0.65 0.52 0.00 0.00 175.17 176.35 1m90 h PRO 45 N 8.88 0.10 0.00 4.34 0.11 -1.89 -0.07 132.00 143.47 1m90 h PRO 45 Ca -0.25 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.78 1m90 h PRO 45 Cb 1.09 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1m90 h PRO 45 CO 0.93 0.06 -0.35 0.77 -0.21 0.00 0.00 178.00 179.20 1m90 h SER 46 N 0.10 0.00 -3.41 -2.05 0.02 -1.91 -3.43 113.55 102.87 1m90 h SER 46 Ca 0.61 0.00 -0.72 0.00 -0.84 0.00 0.00 61.79 60.84 1m90 h SER 46 Cb 2.18 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 64.51 1m90 h SER 46 CO -0.10 0.35 -0.32 -0.69 -1.14 0.00 0.00 176.83 174.92 1m90 s VAL 47 N -3.17 5.20 0.08 2.27 1.01 -0.04 -4.84 120.40 120.91 1m90 s VAL 47 Ca 0.04 -0.77 -0.26 0.00 0.00 0.00 0.00 61.98 60.99 1m90 s VAL 47 Cb 0.08 -4.05 -0.16 0.00 0.00 0.00 0.00 36.38 32.24 1m90 s VAL 47 CO 0.71 -0.47 1.71 -0.65 0.00 0.00 0.00 175.10 176.39 1m90 h PRO 48 N 8.72 -0.24 -7.37 2.72 0.11 -1.83 -3.43 132.00 130.67 1m90 h PRO 48 Ca -0.28 0.02 -0.47 0.00 0.11 0.00 0.00 66.00 65.38 1m90 h PRO 48 Cb 1.11 0.06 0.08 0.00 0.11 0.00 0.00 31.00 32.36 1m90 h PRO 48 CO 0.82 -0.16 0.29 -0.80 -0.21 0.00 0.00 178.00 177.94 1m90 s ASN 49 N -4.97 4.98 -1.71 -2.05 0.01 -1.26 -4.38 114.94 105.56 1m90 s ASN 49 Ca -0.14 0.69 0.00 0.00 -0.71 0.00 0.00 52.86 52.70 1m90 s ASN 49 Cb 0.05 -1.39 0.00 0.00 0.41 0.00 0.00 41.25 40.33 1m90 s ASN 49 CO 0.65 -1.54 0.00 0.61 -1.51 0.00 0.00 177.10 175.31 1m90 n GLY 50 N -2.97 1.48 3.90 0.66 0.00 -1.26 -4.87 105.19 102.14 1m90 n GLY 50 Ca 0.07 -0.24 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 1m90 n GLY 50 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1m90 s ARG 51 N -3.50 1.02 0.29 1.61 0.52 -1.26 -2.11 118.95 115.52 1m90 s ARG 51 Ca 0.00 -0.20 0.02 0.00 -0.52 0.00 0.00 55.73 55.03 1m90 s ARG 51 Cb 0.00 -1.87 -0.05 0.00 0.52 0.00 0.00 34.95 33.55 1m90 s ARG 51 CO 0.00 -2.19 0.11 -0.59 0.02 0.00 0.00 175.30 172.66 1m90 s PHE 52 N -3.73 1.62 0.03 -0.53 -0.12 -1.26 -4.74 117.98 109.25 1m90 s PHE 52 Ca 0.70 -1.22 -0.30 0.00 -0.05 0.00 0.00 56.93 56.05 1m90 s PHE 52 Cb -0.07 -0.95 -0.08 0.00 -0.63 0.00 0.00 43.02 41.30 1m90 s PHE 52 CO 0.52 -0.35 1.78 -1.58 -0.05 0.00 0.00 175.22 175.53 1m90 s HIS 53 N -3.62 1.89 0.63 3.49 5.65 -1.26 -4.84 115.29 117.23 1m90 s HIS 53 Ca 0.36 -0.02 0.19 0.00 0.25 0.00 0.00 55.06 55.84 1m90 s HIS 53 Cb 0.07 -4.07 0.75 0.00 -1.18 0.00 0.00 32.58 28.15 1m90 s HIS 53 CO 0.15 -4.55 1.32 -1.35 -0.65 0.00 0.00 174.74 169.66 1m90 h PRO 54 N 9.42 0.00 0.00 2.88 0.11 -1.99 0.29 132.00 142.71 1m90 h PRO 54 Ca -0.44 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.66 1m90 h PRO 54 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1m90 h PRO 54 CO 0.94 0.00 -0.05 0.00 -0.21 0.00 0.00 178.00 178.69 1m90 h ARG 55 N 0.00 0.00 -0.01 1.05 3.08 -1.88 -2.47 114.38 114.15 1m90 h ARG 55 Ca 0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.32 1m90 h ARG 55 Cb 2.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.33 1m90 h ARG 55 CO -0.00 0.05 -0.21 1.19 -1.07 0.00 0.00 179.97 179.92 1m90 n PHE 56 N -3.44 0.00 -1.66 3.04 3.72 0.09 -4.91 117.46 114.30 1m90 n PHE 56 Ca -0.02 0.00 -0.48 0.00 -0.05 0.00 0.00 57.45 56.90 1m90 n PHE 56 Cb 0.17 -0.12 -0.05 0.00 -0.94 0.00 0.00 39.48 38.54 1m90 n PHE 56 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1m90 n ASP 57 N -0.63 2.87 0.00 4.37 9.92 -0.93 -1.32 116.55 130.83 1m90 n ASP 57 Ca 0.13 1.07 0.00 0.00 -0.53 0.00 0.00 54.79 55.47 1m90 n ASP 57 Cb 0.34 -1.37 0.00 0.00 -0.64 0.00 0.00 41.12 39.45 1m90 n ASP 57 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1m90 n GLY 58 N 3.42 0.21 3.85 0.44 0.00 -0.09 -5.01 105.19 108.01 1m90 n GLY 58 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 1m90 n GLY 58 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1m90 s GLN 59 N -1.00 3.68 -0.27 1.61 -1.52 -0.44 -4.81 119.66 116.91 1m90 s GLN 59 Ca 0.00 0.86 -0.00 0.00 -1.95 0.00 0.00 55.36 54.27 1m90 s GLN 59 Cb 0.00 -2.09 0.08 0.00 -0.22 0.00 0.00 33.01 30.78 1m90 s GLN 59 CO 0.00 -0.50 0.04 0.99 -0.25 0.00 0.00 175.29 175.56 1m90 s THR 60 N -2.92 1.13 0.23 -0.19 2.01 -1.26 0.19 115.64 114.83 1m90 s THR 60 Ca 0.57 -1.27 0.02 0.00 0.31 0.00 0.00 61.69 61.32 1m90 s THR 60 Cb -0.11 -1.68 0.02 0.00 0.01 0.00 0.00 72.50 70.75 1m90 s THR 60 CO 0.45 -0.41 0.19 0.61 -0.69 0.00 0.00 174.62 174.77 1m90 n GLY 61 N 4.78 2.83 3.17 4.40 0.00 -0.35 -4.87 105.19 115.14 1m90 n GLY 61 Ca -0.06 -2.22 -0.34 0.00 0.00 0.00 0.00 46.02 43.40 1m90 n GLY 61 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1m90 s THR 62 N -1.09 2.70 0.21 2.61 2.01 -0.43 -1.32 115.64 120.33 1m90 s THR 62 Ca 0.14 -1.16 -0.32 0.00 0.31 0.00 0.00 61.69 60.66 1m90 s THR 62 Cb -0.01 -2.40 -0.13 0.00 0.01 0.00 0.00 72.50 69.96 1m90 s THR 62 CO 0.09 0.16 1.51 0.52 -0.69 0.00 0.00 174.62 176.20 1m90 n VAL 63 N 4.62 0.52 -3.13 3.82 0.31 -0.24 -1.87 118.33 122.35 1m90 n VAL 63 Ca -0.16 -0.13 -0.20 0.00 -0.01 0.00 0.00 64.34 63.84 1m90 n VAL 63 Cb 0.46 -1.56 -0.04 0.00 -0.91 0.00 0.00 33.84 31.79 1m90 n VAL 63 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1m90 n GLU 64 N 2.69 0.78 0.00 5.55 -0.58 -0.04 0.25 120.64 129.30 1m90 n GLU 64 Ca 0.14 -3.04 0.00 0.00 -0.42 0.00 0.00 57.16 53.83 1m90 n GLU 64 Cb 0.31 -1.34 0.00 0.00 -0.57 0.00 0.00 31.44 29.84 1m90 n GLU 64 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1m90 n GLY 65 N 1.16 -0.17 3.36 0.62 0.00 -1.26 -4.74 105.19 104.16 1m90 n GLY 65 Ca 0.20 -1.90 -0.11 0.00 0.00 0.00 0.00 46.02 44.22 1m90 n GLY 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1m90 s LYS 66 N -1.12 1.34 -0.17 1.61 -2.85 -1.26 -1.55 119.74 115.74 1m90 s LYS 66 Ca 0.00 -1.47 -0.03 0.00 -1.00 0.00 0.00 55.97 53.46 1m90 s LYS 66 Cb 0.00 0.35 0.06 0.00 -2.06 0.00 0.00 37.83 36.18 1m90 s LYS 66 CO 0.00 -0.49 0.05 -1.14 0.10 0.00 0.00 175.35 173.87 1m90 s GLN 67 N -4.10 0.43 5.42 1.78 0.74 -0.11 -4.86 119.66 118.96 1m90 s GLN 67 Ca 0.32 -0.24 0.00 0.00 0.05 0.00 0.00 55.36 55.49 1m90 s GLN 67 Cb 0.04 -1.88 0.00 0.00 1.10 0.00 0.00 33.01 32.27 1m90 s GLN 67 CO 0.11 -0.61 0.00 0.41 -0.55 0.00 0.00 175.29 174.64 1m90 n GLY 68 N 5.14 2.02 0.08 2.59 0.00 -1.26 -2.00 105.19 111.75 1m90 n GLY 68 Ca -0.08 -0.56 0.12 0.00 0.00 0.00 0.00 46.02 45.50 1m90 n GLY 68 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1m90 h ASP 69 N 8.69 0.00 -4.25 1.61 3.32 -2.00 -3.46 116.42 120.33 1m90 h ASP 69 Ca 0.00 -0.17 -0.50 0.00 0.02 0.00 0.00 57.03 56.38 1m90 h ASP 69 Cb 0.00 0.00 0.08 0.00 0.22 0.00 0.00 39.33 39.63 1m90 h ASP 69 CO 0.00 0.09 0.37 0.00 -1.72 0.00 0.00 179.24 177.97 1m90 s ALA 70 N -3.22 2.64 0.20 3.45 0.00 -0.85 -4.77 121.76 119.21 1m90 s ALA 70 Ca 0.04 0.31 0.04 0.00 0.00 0.00 0.00 51.96 52.36 1m90 s ALA 70 Cb 0.12 -3.23 -0.03 0.00 0.00 0.00 0.00 23.12 19.98 1m90 s ALA 70 CO 0.75 -1.09 0.29 0.71 0.00 0.00 0.00 175.76 176.42 1m90 s TYR 71 N -2.65 3.39 -0.31 0.00 1.51 0.13 -0.94 117.35 118.48 1m90 s TYR 71 Ca 0.62 0.01 -0.04 0.00 -1.01 0.00 0.00 57.07 56.65 1m90 s TYR 71 Cb -0.16 -1.57 0.04 0.00 -0.11 0.00 0.00 41.96 40.15 1m90 s TYR 71 CO 0.45 0.48 0.04 0.15 -1.11 0.00 0.00 175.55 175.56 1m90 s LYS 72 N -3.62 2.62 -0.15 -0.62 1.02 -0.60 -0.94 119.74 117.44 1m90 s LYS 72 Ca 0.34 -1.16 -0.03 0.00 0.02 0.00 0.00 55.97 55.14 1m90 s LYS 72 Cb -0.10 -3.29 -0.02 0.00 -0.52 0.00 0.00 37.83 33.89 1m90 s LYS 72 CO 0.28 -0.60 -0.06 0.08 -0.92 0.00 0.00 175.35 174.13 1m90 s VAL 73 N 1.35 3.70 -0.14 3.17 1.01 0.74 -0.86 120.40 129.37 1m90 s VAL 73 Ca -0.02 -0.43 -0.17 0.00 0.00 0.00 0.00 61.98 61.36 1m90 s VAL 73 Cb -0.19 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.54 1m90 s VAL 73 CO 0.01 0.50 0.43 -1.81 0.00 0.00 0.00 175.10 174.22 1m90 s ASP 74 N 0.40 6.61 0.37 3.32 1.01 -0.78 0.03 116.67 127.62 1m90 s ASP 74 Ca -0.05 0.72 0.04 0.00 0.71 0.00 0.00 52.55 53.97 1m90 s ASP 74 Cb -0.15 -2.26 -0.03 0.00 1.01 0.00 0.00 42.92 41.50 1m90 s ASP 74 CO 0.03 0.01 0.16 0.27 0.21 0.00 0.00 175.17 175.86 1m90 s ILE 75 N 0.67 0.44 -0.22 0.77 -4.36 0.10 -1.32 121.20 117.28 1m90 s ILE 75 Ca 0.23 -2.00 -0.01 0.00 -0.26 0.00 0.00 60.65 58.61 1m90 s ILE 75 Cb -0.15 -2.42 0.06 0.00 1.25 0.00 0.00 42.46 41.21 1m90 s ILE 75 CO 0.09 0.00 0.01 -0.69 0.24 0.00 0.00 174.94 174.58 1m90 s VAL 76 N -3.34 0.97 -0.36 8.37 1.01 -1.26 -0.83 120.40 124.96 1m90 s VAL 76 Ca 0.30 -0.92 -0.27 0.00 0.00 0.00 0.00 61.98 61.10 1m90 s VAL 76 Cb 0.03 -1.41 0.02 0.00 0.00 0.00 0.00 36.38 35.02 1m90 s VAL 76 CO 0.18 -0.21 0.96 -0.62 0.00 0.00 0.00 175.10 175.41 1m90 s ASP 77 N 1.64 6.73 1.31 3.32 -1.08 0.27 -4.75 116.67 124.11 1m90 s ASP 77 Ca -0.02 0.68 0.00 0.00 -0.52 0.00 0.00 52.55 52.69 1m90 s ASP 77 Cb -0.18 -2.48 0.00 0.00 -1.46 0.00 0.00 42.92 38.80 1m90 s ASP 77 CO -0.09 -0.87 0.00 0.61 0.52 0.00 0.00 175.17 175.34 1m90 n GLY 78 N 4.29 1.02 0.31 2.66 0.00 -1.26 0.84 105.19 113.05 1m90 n GLY 78 Ca 0.08 0.54 0.04 0.00 0.00 0.00 0.00 46.02 46.67 1m90 n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1m90 n GLY 79 N 0.00 -0.03 3.84 -0.02 0.00 -1.26 -5.01 105.19 102.71 1m90 n GLY 79 Ca 0.00 -0.21 -0.36 0.00 0.00 0.00 0.00 46.02 45.44 1m90 n GLY 79 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1m90 s LYS 80 N -0.67 3.65 -0.05 1.61 2.20 0.25 -5.07 119.74 121.65 1m90 s LYS 80 Ca 0.10 -0.15 -0.29 0.00 -0.36 0.00 0.00 55.97 55.27 1m90 s LYS 80 Cb 0.06 -3.25 -0.02 0.00 -1.51 0.00 0.00 37.83 33.11 1m90 s LYS 80 CO 0.09 0.65 0.96 -1.21 -0.36 0.00 0.00 175.35 175.48 1m90 s GLU 81 N -0.66 4.49 0.04 4.03 2.02 -1.26 0.94 118.70 128.31 1m90 s GLU 81 Ca 0.13 1.35 0.00 0.00 0.02 0.00 0.00 54.97 56.48 1m90 s GLU 81 Cb -0.12 -3.49 -0.03 0.00 0.10 0.00 0.00 34.13 30.59 1m90 s GLU 81 CO 0.03 -0.15 -0.05 0.15 0.02 0.00 0.00 175.26 175.26 1m90 s LYS 82 N 1.40 0.52 -0.20 1.61 1.02 -0.01 -4.91 119.74 119.16 1m90 s LYS 82 Ca 0.49 -0.91 -0.02 0.00 0.02 0.00 0.00 55.97 55.55 1m90 s LYS 82 Cb -0.20 -0.00 -0.00 0.00 -0.52 0.00 0.00 37.83 37.11 1m90 s LYS 82 CO 0.23 -0.04 -0.10 0.99 -0.92 0.00 0.00 175.35 175.51 1m90 s THR 83 N -2.41 2.93 -0.15 2.17 2.01 -1.26 -0.72 115.64 118.20 1m90 s THR 83 Ca -0.04 -0.65 -0.05 0.00 0.31 0.00 0.00 61.69 61.26 1m90 s THR 83 Cb -0.03 -2.30 -0.03 0.00 0.01 0.00 0.00 72.50 70.15 1m90 s THR 83 CO -0.04 0.47 0.01 -0.63 -0.69 0.00 0.00 174.62 173.74 1m90 s ILE 84 N 1.31 4.34 -0.39 1.82 1.01 0.10 -4.90 121.20 124.50 1m90 s ILE 84 Ca 0.04 -0.20 -0.19 0.00 0.00 0.00 0.00 60.65 60.29 1m90 s ILE 84 Cb -0.14 -2.91 0.01 0.00 0.01 0.00 0.00 42.46 39.43 1m90 s ILE 84 CO -0.05 0.50 0.57 -0.63 0.00 0.00 0.00 174.94 175.33 1m90 s ILE 85 N 0.13 4.94 -0.05 2.92 -1.09 -1.26 -0.18 121.20 126.60 1m90 s ILE 85 Ca 0.02 0.19 -0.11 0.00 -2.23 0.00 0.00 60.65 58.52 1m90 s ILE 85 Cb -0.13 -4.08 0.02 0.00 -1.58 0.00 0.00 42.46 36.69 1m90 s ILE 85 CO 0.02 -0.40 0.26 0.54 -1.23 0.00 0.00 174.94 174.13 1m90 s VAL 86 N 2.56 0.04 0.45 2.92 0.11 -0.12 -4.58 120.40 121.77 1m90 s VAL 86 Ca 0.20 -0.30 -0.04 0.00 -2.93 0.00 0.00 61.98 58.90 1m90 s VAL 86 Cb -0.15 -0.48 -0.04 0.00 -1.53 0.00 0.00 36.38 34.18 1m90 s VAL 86 CO 0.16 -0.17 0.73 0.42 -3.33 0.00 0.00 175.10 172.91 1m90 s THR 87 N -0.68 4.95 0.31 5.04 -4.23 -0.90 0.20 115.64 120.32 1m90 s THR 87 Ca -0.08 0.08 0.04 0.00 -1.18 0.00 0.00 61.69 60.56 1m90 s THR 87 Cb -0.04 -3.86 0.30 0.00 1.34 0.00 0.00 72.50 70.24 1m90 s THR 87 CO 0.02 -0.77 1.83 0.00 -0.54 0.00 0.00 174.62 175.16 1m90 h ALA 88 N 0.39 1.64 -1.46 3.99 0.00 -1.84 -1.52 119.26 120.46 1m90 h ALA 88 Ca -0.47 0.03 0.44 0.00 0.00 0.00 0.00 54.91 54.90 1m90 h ALA 88 Cb 1.21 -0.16 -0.09 0.00 0.00 0.00 0.00 17.79 18.75 1m90 h ALA 88 CO 0.62 0.09 1.02 0.00 0.00 0.00 0.00 179.25 180.98 1m90 h ALA 89 N 1.57 3.16 -0.39 0.00 0.00 -1.73 0.55 119.26 122.42 1m90 h ALA 89 Ca 0.50 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.42 1m90 h ALA 89 Cb 0.63 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1m90 h ALA 89 CO -0.27 -1.66 0.00 0.72 0.00 0.00 0.00 179.25 178.04 1m90 n HIS 90 N -4.30 1.33 -4.33 0.00 -0.00 -0.57 -4.59 115.22 102.76 1m90 n HIS 90 Ca 0.35 -0.80 -0.20 0.00 -0.00 0.00 0.00 57.72 57.07 1m90 n HIS 90 Cb 1.51 -0.36 -0.11 0.00 -0.00 0.00 0.00 29.99 31.03 1m90 n HIS 90 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1m90 s LEU 91 N -2.67 2.48 -0.09 2.41 1.43 0.19 -1.85 118.68 120.59 1m90 s LEU 91 Ca 0.46 -0.92 -0.07 0.00 -1.03 0.00 0.00 54.13 52.57 1m90 s LEU 91 Cb 0.36 -0.75 0.03 0.00 0.03 0.00 0.00 46.19 45.85 1m90 s LEU 91 CO 0.12 -0.09 0.22 -0.13 0.23 0.00 0.00 176.35 176.70 1m90 s ARG 92 N -3.11 0.24 0.24 1.70 1.81 -1.00 -4.95 118.95 113.88 1m90 s ARG 92 Ca 0.18 0.35 -0.30 0.00 -1.72 0.00 0.00 55.73 54.24 1m90 s ARG 92 Cb -0.04 0.06 -0.10 0.00 -0.45 0.00 0.00 34.95 34.42 1m90 s ARG 92 CO 0.07 -0.07 1.45 1.03 -0.68 0.00 0.00 175.30 177.10 1m90 s ARG 93 N 0.41 4.26 0.51 3.54 0.52 -1.26 -0.24 118.95 126.70 1m90 s ARG 93 Ca -0.02 2.30 -0.20 0.00 -0.52 0.00 0.00 55.73 57.30 1m90 s ARG 93 Cb -0.04 -3.11 -0.07 0.00 0.52 0.00 0.00 34.95 32.25 1m90 s ARG 93 CO -0.02 -0.43 1.06 -1.14 0.02 0.00 0.00 175.30 174.79 1m90 s GLN 94 N -0.28 3.64 0.00 3.54 0.74 -0.42 -4.81 119.66 122.06 1m90 s GLN 94 Ca 0.60 1.41 0.00 0.00 0.05 0.00 0.00 55.36 57.41 1m90 s GLN 94 Cb -0.42 -2.07 0.00 0.00 1.10 0.00 0.00 33.01 31.63 1m90 s GLN 94 CO 0.43 -0.58 0.00 -1.91 -0.55 0.00 0.00 175.29 172.68