#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sb2 s ARG 3 N 0.00 4.07 0.42 -4.13 3.52 -1.26 -5.06 118.95 116.51 1sb2 s ARG 3 Ca 0.00 0.31 -0.26 0.00 -0.13 0.00 0.00 55.73 55.65 1sb2 s ARG 3 Cb 0.00 -3.65 -0.09 0.00 -1.56 0.00 0.00 34.95 29.65 1sb2 s ARG 3 CO 0.00 -0.34 1.40 0.00 -0.81 0.00 0.00 175.30 175.55 1sb2 n PRO 5 N 0.02 1.10 -1.64 0.00 -0.04 -1.26 -4.85 135.00 128.34 1sb2 n PRO 5 Ca 0.04 0.43 -0.50 0.00 -0.04 0.00 0.00 63.50 63.44 1sb2 n PRO 5 Cb 0.42 -2.51 -0.05 0.00 -0.04 0.00 0.00 33.50 31.32 1sb2 n PRO 5 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1sb2 n THR 6 N -1.90 0.05 0.00 0.52 -1.04 -1.26 -0.99 114.28 109.67 1sb2 n THR 6 Ca 0.16 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.16 1sb2 n THR 6 Cb 0.48 -1.21 0.00 0.00 -1.82 0.00 0.00 70.33 67.78 1sb2 n THR 6 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 1sb2 n THR 7 N 3.18 0.00 -3.66 12.58 5.66 -1.26 -5.04 114.28 125.74 1sb2 n THR 7 Ca 0.18 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.87 1sb2 n THR 7 Cb 0.23 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 68.97 1sb2 n THR 7 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 175.07 172.28 1sb2 s TRP 8 N -2.27 3.47 -0.12 1.09 0.52 -0.16 -4.84 118.94 116.64 1sb2 s TRP 8 Ca 0.00 0.56 -0.03 0.00 0.02 0.00 0.00 56.10 56.65 1sb2 s TRP 8 Cb 0.00 -2.01 -0.03 0.00 -1.15 0.00 0.00 33.47 30.28 1sb2 s TRP 8 CO 0.00 0.42 -0.01 -1.12 0.02 0.00 0.00 176.95 176.27 1sb2 s SER 9 N -2.46 5.12 -0.20 2.95 0.01 0.97 -4.77 113.70 115.33 1sb2 s SER 9 Ca 0.41 0.04 -0.08 0.00 1.31 0.00 0.00 55.95 57.63 1sb2 s SER 9 Cb -0.12 -1.61 -0.04 0.00 0.21 0.00 0.00 66.02 64.45 1sb2 s SER 9 CO 0.25 0.29 0.09 0.00 0.41 0.00 0.00 173.24 174.28 1sb2 s ALA 10 N -0.34 3.49 0.36 1.44 0.00 -1.26 -0.61 121.76 124.83 1sb2 s ALA 10 Ca 0.07 -0.77 0.00 0.00 0.00 0.00 0.00 51.96 51.26 1sb2 s ALA 10 Cb -0.12 -2.04 0.03 0.00 0.00 0.00 0.00 23.12 20.99 1sb2 s ALA 10 CO 0.02 0.09 0.19 -1.13 0.00 0.00 0.00 175.76 174.93 1sb2 n SER 11 N 3.69 0.31 -0.31 0.00 3.41 -0.06 -5.01 113.62 115.65 1sb2 n SER 11 Ca -0.16 -1.25 0.02 0.00 -0.26 0.00 0.00 58.87 57.22 1sb2 n SER 11 Cb 0.52 -0.12 0.16 0.00 -0.26 0.00 0.00 64.21 64.51 1sb2 n SER 11 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1sb2 h LYS 12 N 0.00 0.91 0.00 4.33 3.64 -2.02 -3.32 116.57 120.11 1sb2 h LYS 12 Ca -0.06 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1sb2 h LYS 12 Cb 0.24 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1sb2 h LYS 12 CO 0.07 0.60 -0.44 1.28 -2.27 0.00 0.00 179.45 178.70 1sb2 n LEU 13 N -4.64 0.08 -4.19 5.20 4.77 -1.26 -4.95 117.00 112.00 1sb2 n LEU 13 Ca 0.13 -0.34 -0.11 0.00 -0.03 0.00 0.00 56.01 55.66 1sb2 n LEU 13 Cb 0.22 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.21 1sb2 n LEU 13 CO 0.30 0.02 -0.39 -0.31 -1.33 0.00 0.00 177.39 175.68 1sb2 s TYR 14 N -1.53 0.96 -0.06 -1.77 1.51 -1.25 -0.51 117.35 114.70 1sb2 s TYR 14 Ca 0.00 -0.89 0.05 0.00 -1.01 0.00 0.00 57.07 55.22 1sb2 s TYR 14 Cb 0.02 -0.54 -0.02 0.00 -0.11 0.00 0.00 41.96 41.31 1sb2 s TYR 14 CO 0.10 -0.11 -0.21 0.00 -1.11 0.00 0.00 175.55 174.22 1sb2 s TYR 16 N -0.31 1.47 -0.24 0.00 1.51 0.22 -0.94 117.35 119.07 1sb2 s TYR 16 Ca 0.01 -0.42 -0.15 0.00 -1.01 0.00 0.00 57.07 55.51 1sb2 s TYR 16 Cb -0.13 -0.83 0.07 0.00 -0.11 0.00 0.00 41.96 40.96 1sb2 s TYR 16 CO 0.02 0.11 0.60 0.21 -1.11 0.00 0.00 175.55 175.38 1sb2 s LYS 17 N -1.63 0.62 0.26 -0.62 2.20 -0.47 -0.02 119.74 120.08 1sb2 s LYS 17 Ca 0.02 1.05 -0.18 0.00 -0.36 0.00 0.00 55.97 56.50 1sb2 s LYS 17 Cb -0.09 0.12 -0.08 0.00 -1.51 0.00 0.00 37.83 36.26 1sb2 s LYS 17 CO 0.03 -0.14 0.73 -1.25 -0.36 0.00 0.00 175.35 174.35 1sb2 s PRO 18 N 1.40 4.18 -0.03 4.03 0.04 -1.26 -0.84 135.00 142.51 1sb2 s PRO 18 Ca -0.09 0.81 0.04 0.00 0.04 0.00 0.00 61.00 61.81 1sb2 s PRO 18 Cb -0.06 -2.73 -0.01 0.00 0.04 0.00 0.00 34.50 31.74 1sb2 s PRO 18 CO -0.15 0.32 -0.15 -0.06 0.04 0.00 0.00 177.00 176.99 1sb2 s PHE 19 N -1.67 1.48 -0.14 0.56 0.08 0.16 -4.98 117.98 113.48 1sb2 s PHE 19 Ca 0.47 -0.37 0.18 0.00 0.12 0.00 0.00 56.93 57.32 1sb2 s PHE 19 Cb -0.15 -0.99 -0.12 0.00 -0.57 0.00 0.00 43.02 41.19 1sb2 s PHE 19 CO 0.20 -0.11 0.83 1.63 -0.10 0.00 0.00 175.22 177.68 1sb2 n LYS 20 N 3.02 0.62 -1.82 0.44 4.76 -1.26 -1.40 118.16 122.51 1sb2 n LYS 20 Ca -0.17 0.20 -0.42 0.00 -2.87 0.00 0.00 58.31 55.05 1sb2 n LYS 20 Cb 0.54 -1.80 -0.03 0.00 -1.84 0.00 0.00 35.03 31.90 1sb2 n LYS 20 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 1sb2 s GLU 21 N -2.99 4.17 -0.04 1.97 1.03 -1.26 -4.38 118.70 117.20 1sb2 s GLU 21 Ca -0.03 2.49 -0.27 0.00 0.03 0.00 0.00 54.97 57.20 1sb2 s GLU 21 Cb 0.09 -3.20 -0.03 0.00 -0.80 0.00 0.00 34.13 30.18 1sb2 s GLU 21 CO 0.81 -0.71 0.83 0.15 -1.33 0.00 0.00 175.26 175.02 1sb2 s LYS 22 N 1.44 4.49 0.03 -4.83 1.02 -1.26 -4.30 119.74 116.34 1sb2 s LYS 22 Ca 0.74 1.14 -0.03 0.00 0.02 0.00 0.00 55.97 57.83 1sb2 s LYS 22 Cb -0.46 -3.45 -0.02 0.00 -0.52 0.00 0.00 37.83 33.37 1sb2 s LYS 22 CO 0.32 0.01 0.04 0.15 -0.92 0.00 0.00 175.35 174.95 1sb2 s LYS 23 N 0.91 0.51 0.94 1.68 1.02 -0.07 -4.70 119.74 120.03 1sb2 s LYS 23 Ca 0.44 -0.79 -0.11 0.00 0.02 0.00 0.00 55.97 55.54 1sb2 s LYS 23 Cb -0.19 0.19 0.16 0.00 -0.52 0.00 0.00 37.83 37.46 1sb2 s LYS 23 CO 0.23 -0.11 1.12 0.95 -0.92 0.00 0.00 175.35 176.61 1sb2 s THR 24 N -2.48 2.27 0.19 2.17 -4.23 -1.26 -1.12 115.64 111.18 1sb2 s THR 24 Ca -0.06 0.09 -0.12 0.00 -1.18 0.00 0.00 61.69 60.41 1sb2 s THR 24 Cb -0.02 -2.21 0.12 0.00 1.34 0.00 0.00 72.50 71.73 1sb2 s THR 24 CO -0.04 -0.11 1.72 -0.25 -0.54 0.00 0.00 174.62 175.39 1sb2 h TRP 25 N -1.88 0.17 -0.14 3.99 7.01 -1.46 -1.41 115.95 122.23 1sb2 h TRP 25 Ca -0.47 0.03 -0.17 0.00 2.11 0.00 0.00 58.89 60.40 1sb2 h TRP 25 Cb 1.28 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 28.33 1sb2 h TRP 25 CO 0.47 -0.00 -0.62 0.97 -2.79 0.00 0.00 178.44 176.47 1sb2 h ILE 26 N 0.25 1.34 0.00 2.65 6.09 -1.92 -0.71 117.51 125.21 1sb2 h ILE 26 Ca 0.26 -1.92 -0.08 0.00 -1.37 0.00 0.00 64.86 61.75 1sb2 h ILE 26 Cb 0.35 1.90 -0.01 0.00 0.47 0.00 0.00 36.82 39.53 1sb2 h ILE 26 CO -0.33 0.59 -0.38 1.05 -3.07 0.00 0.00 178.15 176.01 1sb2 h GLU 27 N 0.36 0.00 -0.02 2.19 4.11 -1.89 -0.09 114.58 119.24 1sb2 h GLU 27 Ca -0.01 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.42 1sb2 h GLU 27 Cb 1.16 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.41 1sb2 h GLU 27 CO 0.11 0.38 -0.01 0.00 0.07 0.00 0.00 179.01 179.56 1sb2 h ALA 28 N 1.62 0.03 -0.62 1.06 0.00 -1.01 0.28 119.26 120.62 1sb2 h ALA 28 Ca -0.00 -0.20 0.08 0.00 0.00 0.00 0.00 54.91 54.78 1sb2 h ALA 28 Cb 1.15 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.87 1sb2 h ALA 28 CO 0.05 -0.27 0.29 1.49 0.00 0.00 0.00 179.25 180.81 1sb2 h GLU 29 N -0.35 0.51 -0.48 0.00 4.57 -1.02 -0.40 114.58 117.40 1sb2 h GLU 29 Ca 0.00 -0.03 -0.12 0.00 -1.18 0.00 0.00 59.36 58.03 1sb2 h GLU 29 Cb 0.41 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.87 1sb2 h GLU 29 CO 0.00 0.34 -0.18 0.00 -1.18 0.00 0.00 179.01 177.99 1sb2 h ARG 30 N 0.52 0.96 -0.53 1.92 -0.00 -0.94 -1.44 114.38 114.87 1sb2 h ARG 30 Ca 0.29 -0.39 0.05 0.00 -0.50 0.00 0.00 59.98 59.44 1sb2 h ARG 30 Cb 0.28 -0.04 -0.05 0.00 0.00 0.00 0.00 29.97 30.16 1sb2 h ARG 30 CO -0.24 1.05 0.26 0.35 0.00 0.00 0.00 179.97 181.39 1sb2 h PHE 31 N 0.84 0.47 -0.66 3.04 3.57 -0.54 -2.60 116.94 121.05 1sb2 h PHE 31 Ca 0.12 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.61 1sb2 h PHE 31 Cb 0.74 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.32 1sb2 h PHE 31 CO 0.05 0.21 0.28 0.00 -2.23 0.00 0.00 178.31 176.62 1sb2 h ALA 33 N 1.36 1.09 0.00 0.00 0.00 -0.97 -2.20 119.26 118.54 1sb2 h ALA 33 Ca 0.23 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 1sb2 h ALA 33 Cb 0.15 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1sb2 h ALA 33 CO -0.02 0.35 -0.45 0.87 0.00 0.00 0.00 179.25 179.99 1sb2 h LYS 34 N 0.00 0.00 0.00 0.00 1.57 -1.14 -3.32 116.57 113.69 1sb2 h LYS 34 Ca -0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 1sb2 h LYS 34 Cb 0.72 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.02 1sb2 h LYS 34 CO 0.04 0.45 -0.25 1.96 -0.57 0.00 0.00 179.45 181.08 1sb2 h GLN 35 N 0.00 0.00 -1.80 3.15 1.08 -1.27 -3.46 115.11 112.81 1sb2 h GLN 35 Ca -0.00 0.00 0.19 0.00 -1.45 0.00 0.00 58.65 57.39 1sb2 h GLN 35 Cb 1.01 0.00 -0.18 0.00 -0.05 0.00 0.00 27.48 28.26 1sb2 h GLN 35 CO 0.06 0.25 0.68 0.00 -0.95 0.00 0.00 178.83 178.86 1sb2 s ALA 36 N -4.05 -1.97 0.04 3.87 0.00 -1.25 -5.04 121.76 113.37 1sb2 s ALA 36 Ca -0.02 1.37 -0.34 0.00 0.00 0.00 0.00 51.96 52.97 1sb2 s ALA 36 Cb 0.13 0.07 -0.13 0.00 0.00 0.00 0.00 23.12 23.19 1sb2 s ALA 36 CO 0.65 -0.62 1.73 -1.91 0.00 0.00 0.00 175.76 175.61 1sb2 n GLU 37 N -0.12 2.21 -1.60 0.00 2.13 -1.26 -1.89 120.64 120.10 1sb2 n GLU 37 Ca -0.03 0.80 -0.14 0.00 0.66 0.00 0.00 57.16 58.45 1sb2 n GLU 37 Cb 0.60 -2.62 -0.05 0.00 0.27 0.00 0.00 31.44 29.64 1sb2 n GLU 37 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1sb2 n ASN 38 N 5.05 -4.56 -4.76 4.31 3.02 -1.26 -4.53 115.26 112.52 1sb2 n ASN 38 Ca 0.20 0.26 -0.40 0.00 -0.03 0.00 0.00 54.58 54.61 1sb2 n ASN 38 Cb 0.30 -3.38 -0.04 0.00 -0.61 0.00 0.00 39.78 36.04 1sb2 n ASN 38 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1sb2 s GLY 39 N -2.75 3.02 0.18 7.41 0.00 -0.80 -4.44 107.32 109.96 1sb2 s GLY 39 Ca 0.00 0.89 -0.17 0.00 0.00 0.00 0.00 44.72 45.44 1sb2 s GLY 39 CO 0.00 1.47 0.49 0.30 0.00 0.00 0.00 173.10 175.35 1sb2 s HIS 40 N -1.23 -0.08 0.54 1.90 3.76 -0.56 -3.45 115.29 116.17 1sb2 s HIS 40 Ca 0.47 -0.26 -0.19 0.00 -0.15 0.00 0.00 55.06 54.93 1sb2 s HIS 40 Cb -0.31 0.34 -0.10 0.00 1.11 0.00 0.00 32.58 33.62 1sb2 s HIS 40 CO 0.40 -0.88 0.51 1.28 -0.85 0.00 0.00 174.74 175.20 1sb2 n LEU 41 N -0.32 0.49 -4.77 0.89 4.77 -1.26 -1.08 117.00 115.73 1sb2 n LEU 41 Ca -0.10 0.76 -0.41 0.00 -0.03 0.00 0.00 56.01 56.23 1sb2 n LEU 41 Cb 0.63 -1.15 -0.01 0.00 -2.33 0.00 0.00 43.42 40.55 1sb2 n LEU 41 CO 0.18 -3.08 1.13 0.54 -1.33 0.00 0.00 177.39 174.83 1sb2 s VAL 42 N -1.69 2.21 0.08 4.08 0.11 -0.14 -4.31 120.40 120.73 1sb2 s VAL 42 Ca 0.67 0.20 0.04 0.00 -2.93 0.00 0.00 61.98 59.97 1sb2 s VAL 42 Cb -0.47 -3.13 -0.04 0.00 -1.53 0.00 0.00 36.38 31.21 1sb2 s VAL 42 CO 0.55 0.04 -0.01 -0.94 -3.33 0.00 0.00 175.10 171.42 1sb2 s SER 43 N -0.02 5.00 -0.24 3.54 1.04 -1.26 -0.64 113.70 121.12 1sb2 s SER 43 Ca 0.55 -0.16 0.01 0.00 0.48 0.00 0.00 55.95 56.83 1sb2 s SER 43 Cb -0.45 -1.20 0.06 0.00 0.10 0.00 0.00 66.02 64.53 1sb2 s SER 43 CO 0.57 0.19 -0.06 -0.63 0.98 0.00 0.00 173.24 174.29 1sb2 s ILE 44 N -1.27 1.61 -1.27 -1.02 1.01 -1.26 -5.01 121.20 113.99 1sb2 s ILE 44 Ca 0.24 -1.27 0.17 0.00 0.00 0.00 0.00 60.65 59.79 1sb2 s ILE 44 Cb -0.12 -1.86 -0.07 0.00 0.01 0.00 0.00 42.46 40.43 1sb2 s ILE 44 CO 0.17 -0.09 0.82 0.61 0.00 0.00 0.00 174.94 176.44 1sb2 n GLY 45 N 4.64 -0.23 3.62 6.18 0.00 -1.26 -4.99 105.19 113.15 1sb2 n GLY 45 Ca -0.12 -0.49 -0.07 0.00 0.00 0.00 0.00 46.02 45.34 1sb2 n GLY 45 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sb2 s SER 46 N -2.22 -0.31 0.26 1.61 1.04 -1.26 -5.02 113.70 107.79 1sb2 s SER 46 Ca 0.11 -0.22 -0.05 0.00 0.48 0.00 0.00 55.95 56.28 1sb2 s SER 46 Cb 0.13 0.50 0.32 0.00 0.10 0.00 0.00 66.02 67.07 1sb2 s SER 46 CO 0.53 -0.86 1.94 0.00 0.98 0.00 0.00 173.24 175.82 1sb2 h ALA 47 N 2.00 1.33 -0.60 5.32 0.00 -1.99 -0.49 119.26 124.83 1sb2 h ALA 47 Ca -0.24 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.55 1sb2 h ALA 47 Cb 1.25 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 1sb2 h ALA 47 CO 0.29 0.62 0.14 0.00 0.00 0.00 0.00 179.25 180.30 1sb2 h ALA 48 N 1.41 0.79 -0.67 0.00 0.00 -1.99 -0.12 119.26 118.67 1sb2 h ALA 48 Ca 0.36 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 1sb2 h ALA 48 Cb -0.12 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 1sb2 h ALA 48 CO -0.09 0.50 0.12 1.49 0.00 0.00 0.00 179.25 181.27 1sb2 h GLU 49 N 0.87 1.11 -0.73 0.00 4.81 -1.86 -0.23 114.58 118.55 1sb2 h GLU 49 Ca 0.19 -0.30 0.02 0.00 -0.13 0.00 0.00 59.36 59.15 1sb2 h GLU 49 Cb 0.36 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.56 1sb2 h GLU 49 CO 0.00 1.01 0.47 0.00 -0.73 0.00 0.00 179.01 179.77 1sb2 h ALA 50 N 1.05 0.95 -0.43 2.92 0.00 -0.69 0.16 119.26 123.23 1sb2 h ALA 50 Ca 0.21 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.94 1sb2 h ALA 50 Cb 0.44 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1sb2 h ALA 50 CO 0.01 0.28 -0.31 -0.44 0.00 0.00 0.00 179.25 178.80 1sb2 h ASP 51 N 0.93 1.01 -0.38 0.00 3.32 -0.78 -1.16 116.42 119.37 1sb2 h ASP 51 Ca 0.29 -0.43 -0.03 0.00 0.02 0.00 0.00 57.03 56.87 1sb2 h ASP 51 Cb -0.02 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.23 1sb2 h ASP 51 CO -0.09 1.23 0.11 0.15 -1.72 0.00 0.00 179.24 178.92 1sb2 h PHE 52 N 0.80 0.62 -0.97 4.55 3.57 -0.67 -1.98 116.94 122.87 1sb2 h PHE 52 Ca 0.08 -0.07 0.01 0.00 3.53 0.00 0.00 57.97 61.53 1sb2 h PHE 52 Cb 0.90 -0.18 -0.05 0.00 2.79 0.00 0.00 35.95 39.41 1sb2 h PHE 52 CO 0.06 0.59 0.63 1.25 -2.23 0.00 0.00 178.31 178.61 1sb2 h LEU 53 N 0.46 1.11 -0.98 0.59 5.85 -0.57 -1.37 115.31 120.41 1sb2 h LEU 53 Ca 0.12 -0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.86 1sb2 h LEU 53 Cb 0.27 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 40.96 1sb2 h LEU 53 CO -0.00 0.81 0.63 0.44 -0.34 0.00 0.00 178.44 179.98 1sb2 h ASP 54 N 1.31 1.03 -0.58 1.25 3.32 -0.69 -1.39 116.42 120.67 1sb2 h ASP 54 Ca 0.35 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.35 1sb2 h ASP 54 Cb -0.14 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.16 1sb2 h ASP 54 CO -0.08 0.68 0.16 -0.07 -1.72 0.00 0.00 179.24 178.21 1sb2 h LEU 55 N 1.18 0.87 -0.65 1.55 3.38 -0.63 -0.76 115.31 120.24 1sb2 h LEU 55 Ca 0.41 -0.22 0.07 0.00 0.09 0.00 0.00 57.88 58.22 1sb2 h LEU 55 Cb 0.09 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.56 1sb2 h LEU 55 CO -0.15 0.86 0.34 0.58 0.09 0.00 0.00 178.44 180.16 1sb2 h VAL 56 N 0.83 0.92 0.01 1.22 2.07 -0.68 0.11 116.25 120.74 1sb2 h VAL 56 Ca 0.18 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 1sb2 h VAL 56 Cb 0.32 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 1sb2 h VAL 56 CO -0.00 0.11 -0.01 0.40 0.02 0.00 0.00 177.57 178.09 1sb2 h ILE 57 N 0.62 1.11 -0.61 4.57 2.04 -0.94 -2.56 117.51 121.73 1sb2 h ILE 57 Ca 0.30 -0.36 -0.05 0.00 1.00 0.00 0.00 64.86 65.74 1sb2 h ILE 57 Cb 0.24 1.35 -0.03 0.00 -0.74 0.00 0.00 36.82 37.65 1sb2 h ILE 57 CO -0.21 0.09 0.17 0.58 0.00 0.00 0.00 178.15 178.78 1sb2 h VAL 58 N -0.18 1.24 -0.62 1.67 2.07 -0.62 0.33 116.25 120.14 1sb2 h VAL 58 Ca -0.00 -0.85 0.02 0.00 0.82 0.00 0.00 66.70 66.68 1sb2 h VAL 58 Cb 0.17 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 1sb2 h VAL 58 CO 0.00 0.32 0.41 0.58 0.02 0.00 0.00 177.57 178.91 1sb2 h VAL 59 N 0.91 1.13 0.06 2.57 2.07 -0.74 -3.15 116.25 119.10 1sb2 h VAL 59 Ca 0.20 -0.28 -0.32 0.00 0.82 0.00 0.00 66.70 67.13 1sb2 h VAL 59 Cb 0.30 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 30.29 1sb2 h VAL 59 CO -0.00 0.15 -1.76 0.78 0.02 0.00 0.00 177.57 176.75 1sb2 h ASN 60 N 0.80 0.21 0.00 0.57 4.21 -0.86 -3.51 115.58 116.99 1sb2 h ASN 60 Ca 0.24 -0.42 0.00 0.00 1.21 0.00 0.00 56.30 57.33 1sb2 h ASN 60 Cb -0.03 -0.07 0.00 0.00 -1.12 0.00 0.00 38.32 37.10 1sb2 h ASN 60 CO -0.06 1.37 0.00 0.49 -1.29 0.00 0.00 177.43 177.94 1sb2 n PHE 61 N -3.27 0.00 0.00 1.19 0.99 0.11 -5.10 117.46 111.38 1sb2 n PHE 61 Ca -0.21 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.24 1sb2 n PHE 61 Cb 1.05 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.53 1sb2 n PHE 61 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 176.76 179.65 1sb2 n ARG 65 N 0.00 0.00 -4.16 -1.08 -4.01 -1.26 -4.74 116.66 101.41 1sb2 n ARG 65 Ca 0.00 0.00 -0.15 0.00 -1.04 0.00 0.00 57.85 56.66 1sb2 n ARG 65 Cb 0.00 0.00 -0.11 0.00 -3.04 0.00 0.00 32.46 29.31 1sb2 n ARG 65 CO 0.00 0.00 0.00 1.52 -3.04 0.00 0.00 177.63 176.11 1sb2 s TYR 66 N 0.00 1.03 -0.18 2.89 -0.85 -1.26 -5.10 117.35 113.88 1sb2 s TYR 66 Ca 0.00 -0.60 -0.04 0.00 -0.52 0.00 0.00 57.07 55.91 1sb2 s TYR 66 Cb 0.00 -0.57 0.08 0.00 0.38 0.00 0.00 41.96 41.85 1sb2 s TYR 66 CO 0.00 -0.00 0.22 0.50 -1.52 0.00 0.00 175.55 174.74 1sb2 s ARG 67 N -2.46 0.16 -0.00 -3.49 3.52 -1.26 -4.17 118.95 111.25 1sb2 s ARG 67 Ca 0.02 0.31 0.01 0.00 -0.13 0.00 0.00 55.73 55.95 1sb2 s ARG 67 Cb -0.05 -0.95 -0.00 0.00 -1.56 0.00 0.00 34.95 32.39 1sb2 s ARG 67 CO 0.00 -0.56 -0.04 0.00 -0.81 0.00 0.00 175.30 173.89 1sb2 s ALA 68 N 2.33 0.31 0.32 6.12 0.00 -0.87 -3.64 121.76 126.33 1sb2 s ALA 68 Ca 0.06 -0.14 -0.29 0.00 0.00 0.00 0.00 51.96 51.58 1sb2 s ALA 68 Cb -0.15 -0.09 -0.11 0.00 0.00 0.00 0.00 23.12 22.77 1sb2 s ALA 68 CO -0.11 0.07 1.53 -1.58 0.00 0.00 0.00 175.76 175.67 1sb2 s TRP 69 N -0.03 2.74 0.50 0.00 0.23 0.57 -1.07 118.94 121.87 1sb2 s TRP 69 Ca 0.01 0.96 0.08 0.00 -2.03 0.00 0.00 56.10 55.12 1sb2 s TRP 69 Cb -0.02 -4.01 0.03 0.00 0.03 0.00 0.00 33.47 29.50 1sb2 s TRP 69 CO -0.00 -3.22 0.56 0.95 0.96 0.00 0.00 176.95 176.20 1sb2 s THR 70 N -0.42 2.36 -1.99 2.01 -4.23 -0.42 -2.51 115.64 110.44 1sb2 s THR 70 Ca 0.59 -1.19 0.01 0.00 -1.18 0.00 0.00 61.69 59.92 1sb2 s THR 70 Cb -0.46 -2.54 0.03 0.00 1.34 0.00 0.00 72.50 70.86 1sb2 s THR 70 CO 0.53 0.00 1.01 0.61 -0.54 0.00 0.00 174.62 176.23 1sb2 n GLY 71 N -1.89 -0.83 3.68 3.99 0.00 0.19 -4.65 105.19 105.68 1sb2 n GLY 71 Ca 0.07 -0.03 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 1sb2 n GLY 71 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1sb2 s LEU 72 N -0.99 4.19 0.19 0.99 2.96 -1.26 -4.99 118.68 119.77 1sb2 s LEU 72 Ca 0.02 0.74 -0.00 0.00 -0.22 0.00 0.00 54.13 54.67 1sb2 s LEU 72 Cb 0.01 -2.73 -0.04 0.00 0.50 0.00 0.00 46.19 43.92 1sb2 s LEU 72 CO 0.01 -0.14 0.09 0.42 -1.32 0.00 0.00 176.35 175.41 1sb2 s THR 73 N 1.37 0.22 0.28 3.68 -4.23 -1.26 -1.32 115.64 114.39 1sb2 s THR 73 Ca 0.25 -1.97 -0.17 0.00 -1.18 0.00 0.00 61.69 58.62 1sb2 s THR 73 Cb -0.15 -2.37 -0.09 0.00 1.34 0.00 0.00 72.50 71.23 1sb2 s THR 73 CO 0.10 -0.17 0.74 -1.61 -0.54 0.00 0.00 174.62 173.14 1sb2 s GLU 74 N -4.08 4.12 0.55 3.99 2.02 -0.42 -5.01 118.70 119.87 1sb2 s GLU 74 Ca 0.33 0.78 -0.10 0.00 0.02 0.00 0.00 54.97 56.00 1sb2 s GLU 74 Cb 0.07 -2.62 -0.04 0.00 0.10 0.00 0.00 34.13 31.64 1sb2 s GLU 74 CO 0.09 0.25 0.92 1.03 0.02 0.00 0.00 175.26 177.57 1sb2 s ARG 75 N -2.55 3.62 0.67 1.61 0.52 -1.26 -4.79 118.95 116.77 1sb2 s ARG 75 Ca 0.50 0.56 -0.17 0.00 -0.52 0.00 0.00 55.73 56.10 1sb2 s ARG 75 Cb -0.13 -2.21 0.01 0.00 0.52 0.00 0.00 34.95 33.14 1sb2 s ARG 75 CO 0.19 -0.38 1.22 -0.80 0.02 0.00 0.00 175.30 175.54 1sb2 s ASN 76 N -3.98 4.62 0.53 0.23 0.01 -1.26 -4.93 114.94 110.17 1sb2 s ASN 76 Ca 0.53 2.39 -0.21 0.00 -0.71 0.00 0.00 52.86 54.85 1sb2 s ASN 76 Cb -0.11 -2.59 -0.05 0.00 0.41 0.00 0.00 41.25 38.91 1sb2 s ASN 76 CO 0.47 -1.98 1.28 -0.76 -1.51 0.00 0.00 177.10 174.60 1sb2 s LEU 77 N -4.68 3.86 -0.07 0.60 1.43 -1.26 -5.03 118.68 113.52 1sb2 s LEU 77 Ca 0.76 2.57 -0.03 0.00 -1.03 0.00 0.00 54.13 56.39 1sb2 s LEU 77 Cb -0.30 -4.33 0.04 0.00 0.03 0.00 0.00 46.19 41.63 1sb2 s LEU 77 CO 0.40 -1.40 0.16 -0.75 0.23 0.00 0.00 176.35 174.99 1sb2 s LYS 78 N -2.93 0.10 0.72 1.70 2.20 -1.26 -3.46 119.74 116.81 1sb2 s LYS 78 Ca 0.71 0.42 -0.16 0.00 -0.36 0.00 0.00 55.97 56.58 1sb2 s LYS 78 Cb -0.35 -0.18 0.03 0.00 -1.51 0.00 0.00 37.83 35.82 1sb2 s LYS 78 CO 0.41 -0.18 1.24 -1.58 -0.36 0.00 0.00 175.35 174.88 1sb2 s TRP 79 N 1.32 1.96 0.53 4.03 0.52 -0.25 -4.89 118.94 122.16 1sb2 s TRP 79 Ca -0.08 1.58 0.40 0.00 0.02 0.00 0.00 56.10 58.02 1sb2 s TRP 79 Cb -0.11 -3.57 2.11 0.00 -1.15 0.00 0.00 33.47 30.74 1sb2 s TRP 79 CO -0.06 -2.84 2.27 1.79 0.02 0.00 0.00 176.95 178.12 1sb2 h THR 80 N -0.17 0.08 -0.00 2.01 1.35 -2.01 -0.11 112.91 114.06 1sb2 h THR 80 Ca -0.48 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 1sb2 h THR 80 Cb 1.31 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 68.87 1sb2 h THR 80 CO 0.50 0.01 0.00 -0.46 -0.25 0.00 0.00 175.52 175.32 1sb2 n ASN 81 N -3.18 0.02 0.00 5.36 6.94 -1.26 -4.90 115.26 118.24 1sb2 n ASN 81 Ca -0.02 -1.21 0.00 0.00 -0.02 0.00 0.00 54.58 53.33 1sb2 n ASN 81 Cb 0.13 -0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.55 1sb2 n ASN 81 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1sb2 n GLY 82 N 0.90 1.27 3.77 4.83 0.00 -0.05 -5.06 105.19 110.85 1sb2 n GLY 82 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 1sb2 n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sb2 s ALA 83 N -2.30 3.20 0.53 4.61 0.00 -1.25 -4.77 121.76 121.77 1sb2 s ALA 83 Ca 0.00 1.01 -0.22 0.00 0.00 0.00 0.00 51.96 52.75 1sb2 s ALA 83 Cb 0.00 -3.39 -0.05 0.00 0.00 0.00 0.00 23.12 19.67 1sb2 s ALA 83 CO 0.00 -0.55 1.32 -1.12 0.00 0.00 0.00 175.76 175.41 1sb2 s SER 84 N -1.04 5.46 -0.71 0.00 0.01 -1.26 -1.10 113.70 115.06 1sb2 s SER 84 Ca 0.56 2.67 -0.24 0.00 1.31 0.00 0.00 55.95 60.25 1sb2 s SER 84 Cb -0.32 -2.63 0.06 0.00 0.21 0.00 0.00 66.02 63.34 1sb2 s SER 84 CO 0.41 -1.43 1.08 -0.69 0.41 0.00 0.00 173.24 173.02 1sb2 s VAL 85 N -1.35 4.17 0.00 3.43 1.01 -1.22 -4.77 120.40 121.66 1sb2 s VAL 85 Ca 0.70 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.43 1sb2 s VAL 85 Cb -0.38 -4.77 0.00 0.00 0.00 0.00 0.00 36.38 31.23 1sb2 s VAL 85 CO 0.45 -1.59 0.00 -1.54 0.00 0.00 0.00 175.10 172.42 1sb2 n SER 86 N 8.14 0.00 -4.77 3.32 3.41 -1.26 -4.92 113.62 117.54 1sb2 n SER 86 Ca 0.01 0.09 -0.38 0.00 -0.26 0.00 0.00 58.87 58.34 1sb2 n SER 86 Cb 0.47 -0.18 -0.03 0.00 -0.26 0.00 0.00 64.21 64.21 1sb2 n SER 86 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1sb2 s TYR 87 N -0.37 3.16 0.04 7.33 6.14 -1.26 -5.06 117.35 127.33 1sb2 s TYR 87 Ca 0.00 1.58 -0.04 0.00 0.64 0.00 0.00 57.07 59.25 1sb2 s TYR 87 Cb 0.00 -3.34 -0.02 0.00 0.42 0.00 0.00 41.96 39.02 1sb2 s TYR 87 CO 0.00 -1.13 0.05 -1.83 0.64 0.00 0.00 175.55 173.29 1sb2 s GLU 88 N -2.22 0.58 -0.34 4.97 1.03 -1.26 -5.04 118.70 116.42 1sb2 s GLU 88 Ca 0.56 -0.88 0.10 0.00 0.03 0.00 0.00 54.97 54.77 1sb2 s GLU 88 Cb -0.29 0.22 0.45 0.00 -0.80 0.00 0.00 34.13 33.71 1sb2 s GLU 88 CO 0.37 -0.14 1.12 -1.71 -1.33 0.00 0.00 175.26 173.58 1sb2 n ASN 89 N 0.61 3.94 -4.77 0.83 4.05 -1.26 -5.09 115.26 113.57 1sb2 n ASN 89 Ca -0.18 -3.37 -0.41 0.00 0.45 0.00 0.00 54.58 51.08 1sb2 n ASN 89 Cb 0.59 -0.43 -0.02 0.00 1.23 0.00 0.00 39.78 41.15 1sb2 n ASN 89 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1sb2 s LEU 90 N -3.55 4.42 0.13 1.20 1.43 -1.26 -4.93 118.68 116.13 1sb2 s LEU 90 Ca 0.44 2.68 -0.14 0.00 -1.03 0.00 0.00 54.13 56.07 1sb2 s LEU 90 Cb 0.40 -3.66 0.00 0.00 0.03 0.00 0.00 46.19 42.96 1sb2 s LEU 90 CO -0.05 -0.54 1.63 0.22 0.23 0.00 0.00 176.35 177.83 1sb2 h TYR 91 N 3.35 0.75 -4.32 0.29 -0.00 -2.08 -3.43 116.97 111.54 1sb2 h TYR 91 Ca -0.49 -0.10 -0.58 0.00 -0.00 0.00 0.00 58.73 57.57 1sb2 h TYR 91 Cb 1.23 -0.21 -0.28 0.00 -0.00 0.00 0.00 36.73 37.47 1sb2 h TYR 91 CO 0.56 0.71 -0.84 -1.21 -0.00 0.00 0.00 178.16 177.37 1sb2 s GLU 92 N -5.24 1.51 0.46 1.82 2.02 -1.26 -5.13 118.70 112.88 1sb2 s GLU 92 Ca -0.13 -0.76 -0.25 0.00 0.02 0.00 0.00 54.97 53.85 1sb2 s GLU 92 Cb 0.11 -1.50 -0.08 0.00 0.10 0.00 0.00 34.13 32.76 1sb2 s GLU 92 CO 0.78 0.40 1.40 -2.14 0.02 0.00 0.00 175.26 175.73 1sb2 s PRO 93 N -0.67 3.62 -0.36 0.39 0.02 -1.26 -4.99 135.00 131.74 1sb2 s PRO 93 Ca 0.07 2.35 -0.15 0.00 0.02 0.00 0.00 61.00 63.29 1sb2 s PRO 93 Cb -0.08 -2.59 -0.01 0.00 0.02 0.00 0.00 34.50 31.84 1sb2 s PRO 93 CO 0.00 -0.85 0.36 -0.47 -0.33 0.00 0.00 177.00 175.71 1sb2 s TYR 94 N -1.23 3.21 -0.17 6.54 5.04 -1.26 -5.06 117.35 124.41 1sb2 s TYR 94 Ca 0.62 -0.12 0.01 0.00 -2.44 0.00 0.00 57.07 55.14 1sb2 s TYR 94 Cb -0.42 -2.69 0.03 0.00 0.35 0.00 0.00 41.96 39.23 1sb2 s TYR 94 CO 0.54 -0.48 -0.12 0.42 -1.34 0.00 0.00 175.55 174.57 1sb2 s ILE 95 N 2.00 1.58 0.10 3.14 1.01 -1.26 -5.08 121.20 122.70 1sb2 s ILE 95 Ca 0.11 -0.79 -0.31 0.00 0.00 0.00 0.00 60.65 59.66 1sb2 s ILE 95 Cb -0.17 -1.57 -0.08 0.00 0.01 0.00 0.00 42.46 40.65 1sb2 s ILE 95 CO 0.12 0.32 1.46 -0.13 0.00 0.00 0.00 174.94 176.71 1sb2 s ARG 96 N 1.45 4.28 0.35 2.79 0.52 -1.26 -5.01 118.95 122.07 1sb2 s ARG 96 Ca 0.02 2.15 0.07 0.00 -0.52 0.00 0.00 55.73 57.45 1sb2 s ARG 96 Cb -0.14 -3.33 -0.02 0.00 0.52 0.00 0.00 34.95 31.98 1sb2 s ARG 96 CO -0.10 -0.53 0.32 0.15 0.02 0.00 0.00 175.30 175.17 1sb2 s LYS 97 N 1.51 2.71 0.39 3.54 -0.14 -1.26 -4.67 119.74 121.82 1sb2 s LYS 97 Ca 0.67 -1.32 0.07 0.00 -1.36 0.00 0.00 55.97 54.02 1sb2 s LYS 97 Cb -0.38 -2.48 -0.08 0.00 -1.68 0.00 0.00 37.83 33.22 1sb2 s LYS 97 CO 0.30 0.04 0.00 0.00 -0.76 0.00 0.00 175.35 174.93 1sb2 s PHE 99 N -2.78 2.38 0.17 0.00 0.40 -0.43 -0.09 117.98 117.63 1sb2 s PHE 99 Ca 0.35 -0.89 0.03 0.00 -0.60 0.00 0.00 56.93 55.82 1sb2 s PHE 99 Cb 0.09 -1.59 -0.03 0.00 0.51 0.00 0.00 43.02 41.99 1sb2 s PHE 99 CO 0.17 -0.34 0.28 0.14 0.70 0.00 0.00 175.22 176.17 1sb2 s VAL 100 N 0.24 5.19 -0.10 -0.44 -7.23 -0.45 -1.30 120.40 116.31 1sb2 s VAL 100 Ca -0.14 -0.81 -0.05 0.00 -1.81 0.00 0.00 61.98 59.17 1sb2 s VAL 100 Cb -0.16 -3.70 -0.04 0.00 0.56 0.00 0.00 36.38 33.04 1sb2 s VAL 100 CO 0.07 -0.14 0.11 0.54 -0.31 0.00 0.00 175.10 175.36 1sb2 s VAL 101 N -1.80 5.19 0.04 1.32 0.11 -0.23 -0.37 120.40 124.66 1sb2 s VAL 101 Ca 0.34 0.04 -0.04 0.00 -2.93 0.00 0.00 61.98 59.39 1sb2 s VAL 101 Cb -0.10 -3.26 -0.02 0.00 -1.53 0.00 0.00 36.38 31.47 1sb2 s VAL 101 CO 0.28 0.58 0.07 -1.10 -3.33 0.00 0.00 175.10 171.60 1sb2 s GLN 102 N -1.10 0.60 0.22 1.54 -0.21 -0.89 -2.05 119.66 117.76 1sb2 s GLN 102 Ca 0.16 -0.86 -0.30 0.00 0.02 0.00 0.00 55.36 54.38 1sb2 s GLN 102 Cb -0.12 0.23 -0.09 0.00 1.00 0.00 0.00 33.01 34.03 1sb2 s GLN 102 CO 0.05 -0.14 1.26 -1.25 -2.12 0.00 0.00 175.29 173.09 1sb2 s PRO 103 N -2.92 4.43 -0.13 2.91 0.04 -1.26 -1.32 135.00 136.75 1sb2 s PRO 103 Ca -0.02 2.01 -0.04 0.00 0.04 0.00 0.00 61.00 62.99 1sb2 s PRO 103 Cb 0.01 -3.19 0.06 0.00 0.04 0.00 0.00 34.50 31.42 1sb2 s PRO 103 CO -0.06 -0.16 0.14 1.67 0.04 0.00 0.00 177.00 178.62 1sb2 s TRP 104 N -0.22 -0.04 -1.30 0.56 1.48 -0.51 -4.81 118.94 114.10 1sb2 s TRP 104 Ca 0.54 0.16 -0.21 0.00 -1.06 0.00 0.00 56.10 55.52 1sb2 s TRP 104 Cb -0.36 -0.46 0.03 0.00 -1.16 0.00 0.00 33.47 31.52 1sb2 s TRP 104 CO 0.40 -0.42 0.40 -0.85 -4.06 0.00 0.00 176.95 172.42 1sb2 n GLU 105 N 5.30 -0.50 0.00 3.25 0.00 -1.26 -2.32 120.64 125.12 1sb2 n GLU 105 Ca -0.05 0.05 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1sb2 n GLU 105 Cb 0.50 -2.75 0.00 0.00 0.00 0.00 0.00 31.44 29.19 1sb2 n GLU 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1sb2 n GLY 106 N -2.25 3.05 0.00 -1.84 0.00 -1.26 -4.94 105.19 97.94 1sb2 n GLY 106 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1sb2 n GLY 106 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1sb2 n LYS 107 N -2.00 2.37 -4.42 1.61 3.00 -0.98 -5.13 118.16 112.61 1sb2 n LYS 107 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 58.31 58.10 1sb2 n LYS 107 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 35.03 34.93 1sb2 n LYS 107 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 1sb2 s SER 108 N -0.73 2.97 0.16 3.14 1.04 -1.26 -1.42 113.70 117.60 1sb2 s SER 108 Ca 0.00 -1.10 0.06 0.00 0.48 0.00 0.00 55.95 55.39 1sb2 s SER 108 Cb 0.00 -0.20 -0.04 0.00 0.10 0.00 0.00 66.02 65.87 1sb2 s SER 108 CO 0.00 -0.19 -0.13 -0.54 0.98 0.00 0.00 173.24 173.36 1sb2 s LYS 109 N -3.64 1.15 -0.22 4.02 -0.14 -0.43 -4.79 119.74 115.69 1sb2 s LYS 109 Ca 0.27 -1.42 -0.08 0.00 -1.36 0.00 0.00 55.97 53.38 1sb2 s LYS 109 Cb 0.00 -0.92 -0.04 0.00 -1.68 0.00 0.00 37.83 35.19 1sb2 s LYS 109 CO 0.11 0.16 0.10 -1.58 -0.76 0.00 0.00 175.35 173.38 1sb2 s TRP 110 N -2.73 3.23 -0.04 3.18 0.51 -1.26 -2.10 118.94 119.73 1sb2 s TRP 110 Ca 0.16 0.02 0.07 0.00 -2.12 0.00 0.00 56.10 54.23 1sb2 s TRP 110 Cb -0.02 -2.18 -0.02 0.00 -0.81 0.00 0.00 33.47 30.45 1sb2 s TRP 110 CO 0.04 0.01 -0.24 0.71 -0.51 0.00 0.00 176.95 176.96 1sb2 s TYR 111 N 0.89 2.43 0.37 -1.98 1.51 0.50 -4.96 117.35 116.11 1sb2 s TYR 111 Ca 0.05 -0.52 -0.28 0.00 -1.01 0.00 0.00 57.07 55.32 1sb2 s TYR 111 Cb -0.13 -1.56 -0.10 0.00 -0.11 0.00 0.00 41.96 40.06 1sb2 s TYR 111 CO 0.03 -0.08 1.34 0.15 -1.11 0.00 0.00 175.55 175.87 1sb2 s LYS 112 N -0.43 4.16 0.04 -0.62 1.02 -1.26 -1.34 119.74 121.31 1sb2 s LYS 112 Ca 0.05 2.26 -0.11 0.00 0.02 0.00 0.00 55.97 58.18 1sb2 s LYS 112 Cb -0.12 -2.93 0.01 0.00 -0.52 0.00 0.00 37.83 34.28 1sb2 s LYS 112 CO 0.01 -0.37 0.25 0.00 -0.92 0.00 0.00 175.35 174.32 1sb2 s ALA 113 N -1.18 -0.51 0.12 5.17 0.00 0.88 -4.89 121.76 121.35 1sb2 s ALA 113 Ca 0.53 -0.16 -0.31 0.00 0.00 0.00 0.00 51.96 52.02 1sb2 s ALA 113 Cb -0.40 0.31 -0.11 0.00 0.00 0.00 0.00 23.12 22.92 1sb2 s ALA 113 CO 0.53 -0.39 1.85 -3.47 0.00 0.00 0.00 175.76 174.28 1sb2 n ASP 114 N 0.61 4.10 0.32 0.00 -0.08 -1.26 -1.50 116.55 118.74 1sb2 n ASP 114 Ca -0.19 0.98 0.22 0.00 -1.51 0.00 0.00 54.79 54.29 1sb2 n ASP 114 Cb 0.59 -1.55 1.14 0.00 2.34 0.00 0.00 41.12 43.64 1sb2 n ASP 114 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1sb2 n GLU 116 N -3.03 0.48 -2.00 0.00 -0.58 -1.26 -1.57 120.64 112.68 1sb2 n GLU 116 Ca -0.03 -0.35 -0.41 0.00 -0.42 0.00 0.00 57.16 55.96 1sb2 n GLU 116 Cb 0.09 -1.49 -0.01 0.00 -0.57 0.00 0.00 31.44 29.45 1sb2 n GLU 116 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 1sb2 s GLU 117 N -2.76 4.27 -0.15 3.49 2.12 -0.69 -4.72 118.70 120.25 1sb2 s GLU 117 Ca 0.15 2.34 -0.21 0.00 0.36 0.00 0.00 54.97 57.62 1sb2 s GLU 117 Cb 0.18 -3.03 -0.03 0.00 0.26 0.00 0.00 34.13 31.50 1sb2 s GLU 117 CO 0.68 -0.31 0.60 0.15 -0.54 0.00 0.00 175.26 175.84 1sb2 s LYS 118 N -1.90 4.29 0.07 4.30 1.02 -1.26 -4.02 119.74 122.24 1sb2 s LYS 118 Ca 0.50 0.62 -0.01 0.00 0.02 0.00 0.00 55.97 57.11 1sb2 s LYS 118 Cb -0.42 -3.52 -0.04 0.00 -0.52 0.00 0.00 37.83 33.33 1sb2 s LYS 118 CO 0.57 -0.08 -0.02 -0.80 -0.92 0.00 0.00 175.35 174.09 1sb2 s ASN 119 N 0.98 0.58 1.09 2.83 0.01 -0.27 -4.69 114.94 115.46 1sb2 s ASN 119 Ca 0.30 -1.04 -0.15 0.00 -0.71 0.00 0.00 52.86 51.25 1sb2 s ASN 119 Cb -0.16 0.20 0.14 0.00 0.41 0.00 0.00 41.25 41.84 1sb2 s ASN 119 CO 0.12 -0.60 0.43 0.00 -1.51 0.00 0.00 177.10 175.53 1sb2 n ALA 120 N 0.04 -3.29 -3.08 0.60 0.00 -1.24 -0.89 120.51 112.66 1sb2 n ALA 120 Ca -0.12 -1.07 -0.10 0.00 0.00 0.00 0.00 53.44 52.14 1sb2 n ALA 120 Cb 0.61 -1.75 -0.04 0.00 0.00 0.00 0.00 19.45 18.27 1sb2 n ALA 120 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1sb2 s PHE 121 N -2.34 -0.18 -0.14 0.00 -0.71 -0.49 -0.32 117.98 113.80 1sb2 s PHE 121 Ca 0.60 -0.14 0.02 0.00 -1.04 0.00 0.00 56.93 56.38 1sb2 s PHE 121 Cb -0.18 0.29 0.01 0.00 -1.21 0.00 0.00 43.02 41.93 1sb2 s PHE 121 CO 0.66 -0.76 -0.21 -0.51 -1.34 0.00 0.00 175.22 173.05 1sb2 s LEU 122 N -2.82 2.08 0.06 -1.99 1.43 -1.04 -0.67 118.68 115.73 1sb2 s LEU 122 Ca 0.05 -0.59 0.02 0.00 -1.03 0.00 0.00 54.13 52.58 1sb2 s LEU 122 Cb 0.01 -1.42 -0.04 0.00 0.03 0.00 0.00 46.19 44.78 1sb2 s LEU 122 CO -0.10 0.07 0.08 0.00 0.23 0.00 0.00 176.35 176.63 1sb2 s LYS 124 N -2.27 0.44 -0.02 0.00 2.20 -0.24 -1.36 119.74 118.49 1sb2 s LYS 124 Ca 0.28 -0.52 -0.14 0.00 -0.36 0.00 0.00 55.97 55.23 1sb2 s LYS 124 Cb -0.12 -0.27 0.02 0.00 -1.51 0.00 0.00 37.83 35.95 1sb2 s LYS 124 CO 0.20 0.06 0.29 -0.59 -0.36 0.00 0.00 175.35 174.95 1sb2 s PHE 125 N -0.91 -0.18 0.25 4.03 -0.71 -0.12 -1.49 117.98 118.85 1sb2 s PHE 125 Ca -0.06 0.29 -0.30 0.00 -1.04 0.00 0.00 56.93 55.82 1sb2 s PHE 125 Cb -0.07 0.08 -0.09 0.00 -1.21 0.00 0.00 43.02 41.73 1sb2 s PHE 125 CO 0.00 -0.35 1.24 -1.25 -1.34 0.00 0.00 175.22 173.52 1sb2 s PRO 126 N -1.15 4.46 0.59 1.99 0.04 -1.26 -0.62 135.00 139.04 1sb2 s PRO 126 Ca -0.12 2.01 -0.20 0.00 0.04 0.00 0.00 61.00 62.73 1sb2 s PRO 126 Cb -0.05 -3.17 -0.03 0.00 0.04 0.00 0.00 34.50 31.29 1sb2 s PRO 126 CO 0.03 -0.09 1.28 0.15 0.04 0.00 0.00 177.00 178.41 1sb2 s LYS 127 N -0.92 2.90 0.00 4.56 1.02 0.33 -4.86 119.74 122.77 1sb2 s LYS 127 Ca 0.51 2.03 0.00 0.00 0.02 0.00 0.00 55.97 58.53 1sb2 s LYS 127 Cb -0.36 -2.01 0.00 0.00 -0.52 0.00 0.00 37.83 34.94 1sb2 s LYS 127 CO 0.43 -1.32 0.00 -2.30 -0.92 0.00 0.00 175.35 171.24