#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kss s ILE 22 N 0.00 3.26 0.25 1.12 1.10 -1.26 -5.11 121.20 120.56 2kss s ILE 22 Ca 0.00 -0.63 -0.17 0.00 -0.51 0.00 0.00 60.65 59.34 2kss s ILE 22 Cb 0.00 -2.32 -0.08 0.00 0.15 0.00 0.00 42.46 40.20 2kss s ILE 22 CO 0.00 0.57 0.71 -1.10 -2.11 0.00 0.00 174.94 173.01 2kss s GLN 23 N -0.40 4.13 -0.14 3.50 -1.52 -1.26 -5.05 119.66 118.92 2kss s GLN 23 Ca 0.05 0.75 -0.19 0.00 -1.95 0.00 0.00 55.36 54.02 2kss s GLN 23 Cb -0.12 -2.72 -0.04 0.00 -0.22 0.00 0.00 33.01 29.91 2kss s GLN 23 CO 0.02 0.32 0.53 0.34 -0.25 0.00 0.00 175.29 176.25 2kss s ASP 24 N -1.89 6.69 -0.10 5.90 -1.08 -1.26 -5.03 116.67 119.91 2kss s ASP 24 Ca 0.46 0.83 -0.30 0.00 -0.52 0.00 0.00 52.55 53.03 2kss s ASP 24 Cb -0.14 -2.31 -0.03 0.00 -1.46 0.00 0.00 42.92 38.98 2kss s ASP 24 CO 0.20 -0.09 1.24 -2.16 0.52 0.00 0.00 175.17 174.88 2kss s PRO 25 N 1.02 4.30 -0.18 4.34 0.04 -1.26 -4.91 135.00 138.34 2kss s PRO 25 Ca 0.27 1.69 -0.09 0.00 0.04 0.00 0.00 61.00 62.91 2kss s PRO 25 Cb -0.16 -3.65 -0.21 0.00 0.04 0.00 0.00 34.50 30.52 2kss s PRO 25 CO 0.11 -0.56 0.15 0.45 0.04 0.00 0.00 177.00 177.19 2kss n SER 26 N 5.79 2.02 0.00 6.66 2.88 -1.26 -4.55 113.62 125.17 2kss n SER 26 Ca 0.12 0.21 0.00 0.00 -1.33 0.00 0.00 58.87 57.87 2kss n SER 26 Cb 0.45 -0.80 0.00 0.00 -0.75 0.00 0.00 64.21 63.11 2kss n SER 26 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 2kss n LEU 27 N -3.75 0.00 -4.57 2.46 0.00 -1.26 -4.25 117.00 105.63 2kss n LEU 27 Ca -0.37 0.42 -0.37 0.00 0.00 0.00 0.00 56.01 55.70 2kss n LEU 27 Cb 0.93 0.00 -0.11 0.00 0.00 0.00 0.00 43.42 44.24 2kss n LEU 27 CO 0.30 0.00 -0.21 -0.63 0.00 0.00 0.00 177.39 176.85 2kss s ILE 28 N -0.85 4.95 0.23 1.96 1.01 -1.26 -5.07 121.20 122.16 2kss s ILE 28 Ca 0.00 0.04 -0.30 0.00 0.00 0.00 0.00 60.65 60.40 2kss s ILE 28 Cb 0.00 -3.32 -0.09 0.00 0.01 0.00 0.00 42.46 39.06 2kss s ILE 28 CO 0.00 0.32 0.93 0.27 0.00 0.00 0.00 174.94 176.46 2kss s ILE 29 N 1.40 4.12 0.07 2.92 -5.25 -1.26 -4.82 121.20 118.39 2kss s ILE 29 Ca 0.06 2.05 0.03 0.00 -0.99 0.00 0.00 60.65 61.80 2kss s ILE 29 Cb -0.15 -4.31 -0.04 0.00 2.95 0.00 0.00 42.46 40.91 2kss s ILE 29 CO 0.06 0.49 0.09 0.00 -1.79 0.00 0.00 174.94 173.79 2kss s HIS 31 N -1.39 1.68 0.30 0.00 0.09 -1.26 -5.07 115.29 109.64 2kss s HIS 31 Ca 0.29 -0.74 -0.29 0.00 -0.00 0.00 0.00 55.06 54.32 2kss s HIS 31 Cb -0.12 -2.08 -0.10 0.00 -0.00 0.00 0.00 32.58 30.27 2kss s HIS 31 CO 0.22 -0.74 1.36 0.34 -0.00 0.00 0.00 174.74 175.93 2kss s ASP 32 N -4.44 6.71 0.38 1.40 -1.08 -1.26 -4.98 116.67 113.40 2kss s ASP 32 Ca 0.48 2.69 -0.24 0.00 -0.52 0.00 0.00 52.55 54.97 2kss s ASP 32 Cb -0.04 -2.64 -0.10 0.00 -1.46 0.00 0.00 42.92 38.68 2kss s ASP 32 CO 0.30 -0.62 0.98 -0.69 0.52 0.00 0.00 175.17 175.67 2kss s VAL 33 N -0.69 4.09 0.17 1.11 1.01 -1.26 -4.99 120.40 119.84 2kss s VAL 33 Ca 0.53 1.55 -0.31 0.00 0.00 0.00 0.00 61.98 63.75 2kss s VAL 33 Cb -0.41 -3.77 -0.09 0.00 0.00 0.00 0.00 36.38 32.11 2kss s VAL 33 CO 0.50 -0.04 1.47 -1.81 0.00 0.00 0.00 175.10 175.21 2kss s ASP 34 N -1.77 6.70 0.00 3.32 1.11 -1.26 -4.46 116.67 120.30 2kss s ASP 34 Ca 0.57 2.52 0.00 0.00 0.18 0.00 0.00 52.55 55.81 2kss s ASP 34 Cb -0.17 -2.60 0.00 0.00 1.07 0.00 0.00 42.92 41.22 2kss s ASP 34 CO 0.22 -0.72 0.00 0.61 1.18 0.00 0.00 175.17 176.45 2kss n GLY 35 N 3.26 -0.79 3.55 0.21 0.00 -1.26 -5.15 105.19 105.00 2kss n GLY 35 Ca 0.11 -0.63 -0.08 0.00 0.00 0.00 0.00 46.02 45.42 2kss n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kss s ALA 36 N 0.00 -1.76 -0.02 4.61 0.00 -1.26 -4.97 121.76 118.37 2kss s ALA 36 Ca 0.00 0.75 -0.22 0.00 0.00 0.00 0.00 51.96 52.49 2kss s ALA 36 Cb 0.00 0.52 -0.22 0.00 0.00 0.00 0.00 23.12 23.42 2kss s ALA 36 CO 0.00 -0.78 1.10 -1.00 0.00 0.00 0.00 175.76 175.08 2kss h PRO 37 N 2.00 0.30 -5.05 0.00 0.13 -1.96 -3.47 132.00 123.95 2kss h PRO 37 Ca -0.24 -0.30 -0.55 0.00 -0.87 0.00 0.00 66.00 64.05 2kss h PRO 37 Cb 1.25 0.08 -0.13 0.00 0.13 0.00 0.00 31.00 32.32 2kss h PRO 37 CO 0.30 0.98 -0.52 0.14 -0.23 0.00 0.00 178.00 178.67 2kss s VAL 38 N -3.31 0.63 -0.05 1.56 -7.23 -1.26 -4.95 120.40 105.79 2kss s VAL 38 Ca -0.14 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.03 2kss s VAL 38 Cb 0.03 -2.39 -0.03 0.00 0.56 0.00 0.00 36.38 34.55 2kss s VAL 38 CO 0.78 0.00 -0.05 -0.60 -0.31 0.00 0.00 175.10 174.92 2kss s ARG 39 N -3.73 2.76 0.21 4.82 3.00 -1.26 -5.01 118.95 119.74 2kss s ARG 39 Ca 0.25 -0.56 -0.32 0.00 -1.00 0.00 0.00 55.73 54.10 2kss s ARG 39 Cb 0.03 -2.61 -0.13 0.00 0.00 0.00 0.00 34.95 32.23 2kss s ARG 39 CO 0.15 0.66 1.51 -0.89 0.00 0.00 0.00 175.30 176.72 2kss n ILE 40 N 2.04 0.51 -1.08 4.11 2.08 -1.26 -0.51 119.36 125.25 2kss n ILE 40 Ca -0.17 -0.13 -0.03 0.00 0.56 0.00 0.00 62.75 62.98 2kss n ILE 40 Cb 0.53 -1.56 -0.01 0.00 -0.75 0.00 0.00 39.64 37.84 2kss n ILE 40 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2kss n GLY 41 N 2.76 0.60 3.85 7.39 0.00 -1.22 -5.02 105.19 113.57 2kss n GLY 41 Ca 0.14 -0.72 -0.36 0.00 0.00 0.00 0.00 46.02 45.08 2kss n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kss s ALA 42 N -2.07 3.67 -0.33 4.61 0.00 0.33 -4.91 121.76 123.06 2kss s ALA 42 Ca 0.00 -0.26 -0.18 0.00 0.00 0.00 0.00 51.96 51.52 2kss s ALA 42 Cb 0.00 -2.38 -0.01 0.00 0.00 0.00 0.00 23.12 20.73 2kss s ALA 42 CO 0.00 0.51 0.51 0.21 0.00 0.00 0.00 175.76 176.99 2kss s LYS 43 N -1.74 3.72 0.44 0.00 2.20 -1.26 -2.55 119.74 120.54 2kss s LYS 43 Ca 0.33 -0.07 0.06 0.00 -0.36 0.00 0.00 55.97 55.93 2kss s LYS 43 Cb -0.15 -3.77 -0.04 0.00 -1.51 0.00 0.00 37.83 32.35 2kss s LYS 43 CO 0.18 -0.58 0.16 0.14 -0.36 0.00 0.00 175.35 174.89 2kss s VAL 44 N 2.36 2.07 -0.18 4.02 -7.23 -0.54 -2.92 120.40 117.98 2kss s VAL 44 Ca 0.19 -1.74 0.01 0.00 -1.81 0.00 0.00 61.98 58.63 2kss s VAL 44 Cb -0.15 -2.82 0.02 0.00 0.56 0.00 0.00 36.38 33.99 2kss s VAL 44 CO 0.12 0.00 -0.19 -0.75 -0.31 0.00 0.00 175.10 173.98 2kss s LYS 45 N -3.92 2.85 -0.13 4.82 2.20 -1.12 -2.45 119.74 121.99 2kss s LYS 45 Ca 0.36 -0.81 -0.29 0.00 -0.36 0.00 0.00 55.97 54.87 2kss s LYS 45 Cb 0.04 -2.51 -0.05 0.00 -1.51 0.00 0.00 37.83 33.80 2kss s LYS 45 CO 0.20 -0.23 1.70 0.08 -0.36 0.00 0.00 175.35 176.74 2kss s VAL 46 N 1.32 3.55 0.13 4.02 1.01 -1.15 -3.82 120.40 125.47 2kss s VAL 46 Ca 0.04 0.64 -0.34 0.00 0.00 0.00 0.00 61.98 62.33 2kss s VAL 46 Cb -0.13 -3.50 -0.14 0.00 0.00 0.00 0.00 36.38 32.61 2kss s VAL 46 CO -0.12 -0.15 1.61 0.55 0.00 0.00 0.00 175.10 176.99 2kss n VAL 47 N 6.03 0.07 -0.02 2.92 3.14 -1.26 -3.52 118.33 125.69 2kss n VAL 47 Ca 0.19 -0.01 -0.16 0.00 -2.96 0.00 0.00 64.34 61.40 2kss n VAL 47 Cb 0.44 -1.58 -0.11 0.00 -1.06 0.00 0.00 33.84 31.53 2kss n VAL 47 CO 0.00 0.00 0.00 1.55 -6.46 0.00 0.00 176.83 171.92 2kss h PRO 48 N 6.32 0.27 -6.81 1.45 0.13 -1.91 -3.43 132.00 128.03 2kss h PRO 48 Ca -0.45 -0.27 -0.57 0.00 -0.87 0.00 0.00 66.00 63.84 2kss h PRO 48 Cb 1.26 0.07 0.13 0.00 0.13 0.00 0.00 31.00 32.59 2kss h PRO 48 CO 0.90 0.95 0.39 1.58 -0.23 0.00 0.00 178.00 181.59 2kss n HIS 49 N -4.42 1.80 -3.70 1.56 -0.00 -1.26 -4.83 115.22 104.37 2kss n HIS 49 Ca -0.09 0.50 -0.37 0.00 0.46 0.00 0.00 57.72 58.22 2kss n HIS 49 Cb 0.54 -2.32 -0.09 0.00 -0.12 0.00 0.00 29.99 28.00 2kss n HIS 49 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 2kss s SER 50 N -0.70 5.29 -0.26 0.26 0.15 -1.26 -4.85 113.70 112.33 2kss s SER 50 Ca 0.64 -2.87 -0.02 0.00 0.70 0.00 0.00 55.95 54.40 2kss s SER 50 Cb -0.50 -1.87 -0.16 0.00 -1.71 0.00 0.00 66.02 61.79 2kss s SER 50 CO 0.55 -0.37 -0.24 -0.62 1.20 0.00 0.00 173.24 173.76 2kss n GLU 51 N 3.47 0.64 -1.39 5.44 -0.58 -1.26 -4.99 120.64 121.96 2kss n GLU 51 Ca 0.08 0.18 -0.19 0.00 -0.42 0.00 0.00 57.16 56.81 2kss n GLU 51 Cb 0.38 -1.52 0.13 0.00 -0.57 0.00 0.00 31.44 29.86 2kss n GLU 51 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2kss n ASP 52 N -3.50 0.21 0.04 1.62 8.00 -1.26 -5.04 116.55 116.62 2kss n ASP 52 Ca -0.48 -1.40 -0.02 0.00 0.71 0.00 0.00 54.79 53.61 2kss n ASP 52 Cb 0.97 -0.64 -0.01 0.00 -0.02 0.00 0.00 41.12 41.41 2kss n ASP 52 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 2kss h GLY 53 N -1.05 -0.12 -3.50 0.44 0.00 -2.02 -3.45 103.07 93.37 2kss h GLY 53 Ca -0.28 0.04 -0.55 0.00 0.00 0.00 0.00 47.33 46.55 2kss h GLY 53 CO 0.21 -0.04 0.71 -0.37 0.00 0.00 0.00 176.54 177.05 2kss n THR 54 N -2.67 2.73 -3.68 4.70 5.66 -1.26 -5.00 114.28 114.76 2kss n THR 54 Ca -0.01 -0.50 -0.06 0.00 -3.05 0.00 0.00 64.05 60.43 2kss n THR 54 Cb 0.05 -1.86 -0.02 0.00 -1.55 0.00 0.00 70.33 66.95 2kss n THR 54 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 175.07 171.51 2kss s ILE 55 N -1.18 0.00 -0.16 1.09 1.10 -1.26 -4.92 121.20 115.86 2kss s ILE 55 Ca 0.60 -0.49 -0.04 0.00 -0.51 0.00 0.00 60.65 60.21 2kss s ILE 55 Cb -0.45 -1.68 0.08 0.00 0.15 0.00 0.00 42.46 40.56 2kss s ILE 55 CO 0.58 0.00 0.23 -0.55 -2.11 0.00 0.00 174.94 173.10 2kss s SER 56 N -2.81 0.87 0.18 4.50 0.15 -1.26 -5.00 113.70 110.33 2kss s SER 56 Ca 0.10 0.16 0.25 0.00 0.70 0.00 0.00 55.95 57.16 2kss s SER 56 Cb -0.02 0.51 0.91 0.00 -1.71 0.00 0.00 66.02 65.71 2kss s SER 56 CO -0.01 -0.28 1.75 1.67 1.20 0.00 0.00 173.24 177.57 2kss n GLN 57 N 5.33 0.18 0.05 5.44 7.27 -1.26 -2.30 117.38 132.10 2kss n GLN 57 Ca -0.05 0.26 -0.07 0.00 0.07 0.00 0.00 57.00 57.20 2kss n GLN 57 Cb 0.50 -1.76 -0.12 0.00 2.41 0.00 0.00 30.24 31.26 2kss n GLN 57 CO 0.00 0.00 0.00 -0.09 0.07 0.00 0.00 177.06 177.04 2kss h ARG 58 N 0.00 0.00 -0.57 3.69 2.43 -2.02 -3.24 114.38 114.67 2kss h ARG 58 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2kss h ARG 58 Cb 0.55 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 2kss h ARG 58 CO 0.00 0.92 0.00 1.19 -1.51 0.00 0.00 179.97 180.57 2kss n PHE 59 N -3.30 1.13 -1.64 2.20 3.72 -1.10 -4.89 117.46 113.57 2kss n PHE 59 Ca -0.03 -0.59 -0.42 0.00 -0.05 0.00 0.00 57.45 56.36 2kss n PHE 59 Cb 0.96 -0.16 -0.03 0.00 -0.94 0.00 0.00 39.48 39.31 2kss n PHE 59 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 2kss s LEU 60 N -1.60 4.05 -1.35 4.37 2.96 -0.97 -0.79 118.68 125.35 2kss s LEU 60 Ca 0.44 2.38 -0.02 0.00 -0.22 0.00 0.00 54.13 56.71 2kss s LEU 60 Cb 0.27 -3.52 0.00 0.00 0.50 0.00 0.00 46.19 43.44 2kss s LEU 60 CO 0.23 -1.42 0.22 0.61 -1.32 0.00 0.00 176.35 174.68 2kss n GLY 61 N 5.03 -0.30 0.60 7.98 0.00 -1.23 -4.96 105.19 112.31 2kss n GLY 61 Ca 0.24 -0.12 -0.03 0.00 0.00 0.00 0.00 46.02 46.11 2kss n GLY 61 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2kss n GLN 62 N -2.96 0.92 -3.65 1.61 -0.06 0.03 -4.99 117.38 108.28 2kss n GLN 62 Ca -0.15 -0.48 -0.04 0.00 -2.00 0.00 0.00 57.00 54.33 2kss n GLN 62 Cb 0.63 -0.04 -0.06 0.00 -4.06 0.00 0.00 30.24 26.70 2kss n GLN 62 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 2kss s THR 63 N 0.41 -0.84 0.00 1.69 2.01 -1.26 -2.91 115.64 114.74 2kss s THR 63 Ca 0.09 0.07 0.00 0.00 0.31 0.00 0.00 61.69 62.17 2kss s THR 63 Cb -0.01 -0.85 0.00 0.00 0.01 0.00 0.00 72.50 71.65 2kss s THR 63 CO 0.06 0.03 0.00 0.61 -0.69 0.00 0.00 174.62 174.63 2kss n GLY 64 N 5.41 4.83 3.31 4.40 0.00 -1.03 -4.57 105.19 117.54 2kss n GLY 64 Ca -0.11 -1.67 -0.24 0.00 0.00 0.00 0.00 46.02 44.00 2kss n GLY 64 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kss s ILE 65 N -1.24 1.83 -0.38 -0.61 1.01 -1.12 -1.47 121.20 119.21 2kss s ILE 65 Ca 0.00 -1.65 -0.28 0.00 0.00 0.00 0.00 60.65 58.71 2kss s ILE 65 Cb 0.00 -1.68 0.02 0.00 0.01 0.00 0.00 42.46 40.81 2kss s ILE 65 CO 0.00 -0.08 1.07 -0.69 0.00 0.00 0.00 174.94 175.24 2kss s VAL 66 N -1.31 4.42 0.10 2.92 1.01 -1.06 -2.44 120.40 124.04 2kss s VAL 66 Ca 0.09 1.47 -0.12 0.00 0.00 0.00 0.00 61.98 63.43 2kss s VAL 66 Cb -0.09 -4.47 -0.18 0.00 0.00 0.00 0.00 36.38 31.63 2kss s VAL 66 CO 0.05 -0.67 1.27 0.58 0.00 0.00 0.00 175.10 176.33 2kss h VAL 67 N 5.92 1.29 -3.97 2.92 2.07 -1.70 -3.22 116.25 119.56 2kss h VAL 67 Ca -0.22 -2.12 -0.23 0.00 0.82 0.00 0.00 66.70 64.95 2kss h VAL 67 Cb 1.06 2.17 -0.20 0.00 -1.52 0.00 0.00 31.29 32.80 2kss h VAL 67 CO 1.06 0.66 -0.72 -0.83 0.02 0.00 0.00 177.57 177.76 2kss s GLY 68 N -4.22 0.45 0.56 2.17 0.00 -1.26 -4.90 107.32 100.12 2kss s GLY 68 Ca -0.09 -0.78 0.08 0.00 0.00 0.00 0.00 44.72 43.92 2kss s GLY 68 CO 0.91 -0.85 0.77 -2.27 0.00 0.00 0.00 173.10 171.66 2kss s LEU 69 N -1.72 3.21 -0.34 0.66 0.20 -1.26 -3.61 118.68 115.81 2kss s LEU 69 Ca -0.09 -0.68 -0.00 0.00 0.69 0.00 0.00 54.13 54.05 2kss s LEU 69 Cb -0.08 -1.92 0.08 0.00 -0.43 0.00 0.00 46.19 43.84 2kss s LEU 69 CO -0.01 -1.28 0.06 0.68 -0.29 0.00 0.00 176.35 175.51 2kss s VAL 70 N -2.66 2.84 0.25 1.68 -7.23 -1.26 -4.27 120.40 109.74 2kss s VAL 70 Ca 0.61 -1.82 0.01 0.00 -1.81 0.00 0.00 61.98 58.97 2kss s VAL 70 Cb -0.07 -2.83 -0.05 0.00 0.56 0.00 0.00 36.38 34.00 2kss s VAL 70 CO 0.38 -0.38 0.10 -0.36 -0.31 0.00 0.00 175.10 174.53 2kss s PHE 71 N 1.13 1.47 -0.65 2.82 0.08 -1.26 -4.86 117.98 116.70 2kss s PHE 71 Ca 0.02 -1.20 -0.38 0.00 0.12 0.00 0.00 56.93 55.49 2kss s PHE 71 Cb -0.21 -0.85 -0.19 0.00 -0.57 0.00 0.00 43.02 41.21 2kss s PHE 71 CO -0.04 -0.37 2.34 -3.47 -0.10 0.00 0.00 175.22 173.59 2kss n ASP 72 N -0.43 0.80 -4.64 1.36 4.64 -1.26 -4.80 116.55 112.21 2kss n ASP 72 Ca -0.00 0.44 -0.43 0.00 -1.38 0.00 0.00 54.79 53.42 2kss n ASP 72 Cb 0.66 -0.97 -0.02 0.00 -1.04 0.00 0.00 41.12 39.75 2kss n ASP 72 CO 0.00 0.00 0.00 -1.81 -0.82 0.00 0.00 177.20 174.57 2kss s ASP 73 N 7.38 6.80 0.20 1.67 -0.00 -1.26 -4.74 116.67 126.72 2kss s ASP 73 Ca 1.24 1.32 0.00 0.00 -0.00 0.00 0.00 52.55 55.10 2kss s ASP 73 Cb -1.30 -2.54 0.00 0.00 -0.00 0.00 0.00 42.92 39.08 2kss s ASP 73 CO 0.57 -0.95 0.00 -0.81 -0.00 0.00 0.00 175.17 173.98 2kss n PRO 74 N 7.02 0.70 0.00 8.23 -0.04 -1.26 -4.74 135.00 144.90 2kss n PRO 74 Ca 0.14 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.73 2kss n PRO 74 Cb 0.46 0.00 0.72 0.00 -0.04 0.00 0.00 33.50 34.65 2kss n PRO 74 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kss n ALA 75 N -3.00 2.40 -0.42 0.55 0.00 -1.26 -2.31 120.51 116.47 2kss n ALA 75 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2kss n ALA 75 Cb 0.00 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.03 2kss n ALA 75 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2kss n THR 76 N -1.09 0.44 -1.51 0.00 5.66 -1.26 -5.13 114.28 111.40 2kss n THR 76 Ca 0.17 -0.51 0.08 0.00 -3.05 0.00 0.00 64.05 60.74 2kss n THR 76 Cb 0.12 0.89 -0.04 0.00 -1.55 0.00 0.00 70.33 69.74 2kss n THR 76 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2kss n GLN 77 N -0.22 -3.62 -3.52 1.09 6.02 -0.98 -4.99 117.38 111.16 2kss n GLN 77 Ca 0.00 2.88 -0.13 0.00 -0.01 0.00 0.00 57.00 59.75 2kss n GLN 77 Cb 0.29 -3.85 -0.04 0.00 1.02 0.00 0.00 30.24 27.65 2kss n GLN 77 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 2kss s TYR 78 N -4.92 -0.48 -0.06 1.08 6.14 -1.26 -4.65 117.35 113.20 2kss s TYR 78 Ca 0.00 0.65 -0.10 0.00 0.64 0.00 0.00 57.07 58.26 2kss s TYR 78 Cb 0.00 0.47 -0.05 0.00 0.42 0.00 0.00 41.96 42.80 2kss s TYR 78 CO 0.00 -0.54 0.40 -1.00 0.64 0.00 0.00 175.55 175.05 2kss h PRO 79 N 2.49 -0.33 0.00 4.97 0.13 -1.91 -3.39 132.00 133.95 2kss h PRO 79 Ca -0.24 0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.90 2kss h PRO 79 Cb 1.19 0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.40 2kss h PRO 79 CO 0.34 -0.22 -1.04 -0.25 -0.23 0.00 0.00 178.00 176.61 2kss n ASP 80 N -5.01 4.86 -4.44 1.44 8.00 -1.26 -4.85 116.55 115.29 2kss n ASP 80 Ca -0.04 0.00 -0.23 0.00 0.71 0.00 0.00 54.79 55.23 2kss n ASP 80 Cb 0.14 0.57 -0.10 0.00 -0.02 0.00 0.00 41.12 41.70 2kss n ASP 80 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 2kss s ASP 81 N -2.97 3.33 0.19 -2.24 3.84 -1.26 -5.01 116.67 112.55 2kss s ASP 81 Ca -0.00 -1.04 0.05 0.00 -0.00 0.00 0.00 52.55 51.56 2kss s ASP 81 Cb 0.00 -0.26 0.09 0.00 -1.38 0.00 0.00 42.92 41.37 2kss s ASP 81 CO 0.02 -0.03 1.44 1.55 -0.00 0.00 0.00 175.17 178.16 2kss h PRO 82 N 2.33 0.15 -5.07 2.11 0.13 -1.88 -3.40 132.00 126.38 2kss h PRO 82 Ca -0.40 -0.15 -0.52 0.00 -0.87 0.00 0.00 66.00 64.06 2kss h PRO 82 Cb 1.25 0.04 -0.13 0.00 0.13 0.00 0.00 31.00 32.28 2kss h PRO 82 CO 0.61 0.86 -0.54 -1.17 -0.23 0.00 0.00 178.00 177.53 2kss s LEU 83 N -7.49 2.00 0.36 1.56 2.96 -1.26 -4.66 118.68 112.14 2kss s LEU 83 Ca -0.02 -1.59 -0.26 0.00 -0.22 0.00 0.00 54.13 52.04 2kss s LEU 83 Cb 0.11 -0.15 -0.09 0.00 0.50 0.00 0.00 46.19 46.55 2kss s LEU 83 CO 0.81 -0.84 1.05 0.27 -1.32 0.00 0.00 176.35 176.32 2kss s ILE 84 N -3.28 3.71 -0.03 6.68 -4.36 -1.26 -4.69 121.20 117.97 2kss s ILE 84 Ca 0.28 1.43 0.02 0.00 -0.26 0.00 0.00 60.65 62.12 2kss s ILE 84 Cb 0.04 -3.80 0.01 0.00 1.25 0.00 0.00 42.46 39.97 2kss s ILE 84 CO 0.15 0.12 -0.08 0.00 0.24 0.00 0.00 174.94 175.38 2kss s GLN 85 N -2.15 0.96 -0.13 0.37 -2.07 -1.24 -1.94 119.66 113.47 2kss s GLN 85 Ca 0.53 -0.24 -0.05 0.00 -1.82 0.00 0.00 55.36 53.78 2kss s GLN 85 Cb -0.24 -0.90 -0.04 0.00 -1.09 0.00 0.00 33.01 30.74 2kss s GLN 85 CO 0.31 0.04 0.06 0.08 -1.32 0.00 0.00 175.29 174.46 2kss s VAL 86 N 0.47 4.83 -0.13 3.63 1.01 0.54 -1.68 120.40 129.06 2kss s VAL 86 Ca -0.07 -0.04 0.01 0.00 0.00 0.00 0.00 61.98 61.88 2kss s VAL 86 Cb -0.11 -3.11 0.02 0.00 0.00 0.00 0.00 36.38 33.18 2kss s VAL 86 CO 0.01 0.55 -0.16 -0.22 0.00 0.00 0.00 175.10 175.28 2kss s LEU 87 N -0.44 1.78 0.19 3.92 0.20 -1.02 -1.87 118.68 121.43 2kss s LEU 87 Ca 0.10 -0.49 -0.05 0.00 0.69 0.00 0.00 54.13 54.38 2kss s LEU 87 Cb -0.12 -1.20 -0.05 0.00 -0.43 0.00 0.00 46.19 44.39 2kss s LEU 87 CO 0.02 -0.01 0.43 -0.69 -0.29 0.00 0.00 176.35 175.81 2kss s VAL 88 N 1.21 5.12 0.05 1.68 1.01 -1.08 -2.81 120.40 125.58 2kss s VAL 88 Ca -0.01 0.03 -0.31 0.00 0.00 0.00 0.00 61.98 61.69 2kss s VAL 88 Cb -0.14 -3.66 -0.07 0.00 0.00 0.00 0.00 36.38 32.51 2kss s VAL 88 CO -0.06 -0.06 1.48 -0.70 0.00 0.00 0.00 175.10 175.75 2kss s GLU 89 N -2.92 4.26 0.00 2.72 -6.30 -1.26 -1.66 118.70 113.54 2kss s GLU 89 Ca 0.42 2.11 0.00 0.00 -2.50 0.00 0.00 54.97 55.00 2kss s GLU 89 Cb -0.12 -3.50 0.00 0.00 0.00 0.00 0.00 34.13 30.52 2kss s GLU 89 CO 0.26 -0.59 0.00 0.41 0.02 0.00 0.00 175.26 175.35 2kss n GLY 90 N 3.72 1.07 0.00 -1.50 0.00 -1.26 -4.97 105.19 102.26 2kss n GLY 90 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2kss n GLY 90 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2kss n LEU 91 N 0.00 0.00 0.00 0.99 4.32 -0.66 -5.16 117.00 116.49 2kss n LEU 91 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 2kss n LEU 91 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 2kss n LEU 91 CO 0.00 -0.14 0.00 0.61 -1.22 0.00 0.00 177.39 176.64 2kss n GLY 92 N 5.00 1.79 3.00 -0.72 0.00 -1.26 -4.66 105.19 108.35 2kss n GLY 92 Ca 0.00 -1.85 -0.12 0.00 0.00 0.00 0.00 46.02 44.05 2kss n GLY 92 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2kss s GLU 93 N 3.54 0.21 0.14 1.61 -1.05 -1.26 -2.64 118.70 119.25 2kss s GLU 93 Ca 0.00 -0.06 -0.03 0.00 -0.15 0.00 0.00 54.97 54.72 2kss s GLU 93 Cb 0.00 0.09 -0.03 0.00 -0.44 0.00 0.00 34.13 33.75 2kss s GLU 93 CO 0.00 -0.04 0.12 0.34 0.95 0.00 0.00 175.26 176.63 2kss s ASP 94 N -0.42 0.23 -0.16 0.83 -1.08 -0.78 -4.97 116.67 110.31 2kss s ASP 94 Ca -0.05 -1.12 -0.07 0.00 -0.52 0.00 0.00 52.55 50.79 2kss s ASP 94 Cb -0.03 0.34 -0.04 0.00 -1.46 0.00 0.00 42.92 41.72 2kss s ASP 94 CO 0.00 -0.78 0.06 -0.76 0.52 0.00 0.00 175.17 174.22 2kss s LEU 95 N -3.03 3.86 0.34 -1.34 1.43 -1.26 -0.34 118.68 118.34 2kss s LEU 95 Ca 0.23 0.14 0.04 0.00 -1.03 0.00 0.00 54.13 53.51 2kss s LEU 95 Cb 0.06 -1.96 -0.07 0.00 0.03 0.00 0.00 46.19 44.26 2kss s LEU 95 CO 0.02 0.23 0.05 -0.36 0.23 0.00 0.00 176.35 176.51 2kss s PHE 96 N 0.06 2.08 0.33 0.29 0.08 -0.82 -4.92 117.98 115.08 2kss s PHE 96 Ca 0.06 -0.90 -0.02 0.00 0.12 0.00 0.00 56.93 56.19 2kss s PHE 96 Cb -0.12 -1.38 -0.04 0.00 -0.57 0.00 0.00 43.02 40.91 2kss s PHE 96 CO 0.01 0.10 0.55 -0.06 -0.10 0.00 0.00 175.22 175.72 2kss s PHE 97 N -3.18 3.50 -0.13 0.36 0.40 -1.26 -4.28 117.98 113.39 2kss s PHE 97 Ca 0.36 0.48 0.27 0.00 -0.60 0.00 0.00 56.93 57.43 2kss s PHE 97 Cb 0.09 -1.99 0.80 0.00 0.51 0.00 0.00 43.02 42.43 2kss s PHE 97 CO 0.16 0.13 1.77 -1.00 0.70 0.00 0.00 175.22 176.98 2kss h PRO 98 N 1.12 0.00 -0.41 0.24 0.13 -1.98 -2.68 132.00 128.41 2kss h PRO 98 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2kss h PRO 98 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2kss h PRO 98 CO 0.63 0.07 0.00 -0.85 -0.23 0.00 0.00 178.00 177.62 2kss n GLU 99 N -3.15 2.48 -0.07 0.86 0.28 -1.26 -4.44 120.64 115.34 2kss n GLU 99 Ca 0.02 -2.24 -0.07 0.00 -0.16 0.00 0.00 57.16 54.71 2kss n GLU 99 Cb 0.44 -1.51 -0.02 0.00 1.43 0.00 0.00 31.44 31.78 2kss n GLU 99 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2kss n GLU 100 N 1.44 0.43 -3.15 3.44 -0.58 -1.02 -5.01 120.64 116.19 2kss n GLU 100 Ca 0.20 0.28 -0.20 0.00 -0.42 0.00 0.00 57.16 57.02 2kss n GLU 100 Cb 0.59 -1.39 0.01 0.00 -0.57 0.00 0.00 31.44 30.08 2kss n GLU 100 CO 0.00 0.00 0.00 -0.48 -0.48 0.00 0.00 177.13 176.17 2kss s LEU 101 N -7.58 3.74 0.29 -4.62 0.05 -1.16 -4.58 118.68 104.82 2kss s LEU 101 Ca -0.21 -0.06 0.04 0.00 0.05 0.00 0.00 54.13 53.95 2kss s LEU 101 Cb 0.03 -2.87 -0.06 0.00 -2.05 0.00 0.00 46.19 41.24 2kss s LEU 101 CO 0.31 -0.66 0.03 -1.83 -0.55 0.00 0.00 176.35 173.66 2kss s GLU 102 N -4.39 1.55 0.07 1.48 -1.05 -1.25 -4.81 118.70 110.29 2kss s GLU 102 Ca 0.49 -1.83 -0.30 0.00 -0.15 0.00 0.00 54.97 53.18 2kss s GLU 102 Cb -0.10 -0.80 -0.05 0.00 -0.44 0.00 0.00 34.13 32.74 2kss s GLU 102 CO 0.34 -0.15 1.06 -1.17 0.95 0.00 0.00 175.26 176.30 2kss s LEU 103 N -3.43 4.41 0.56 1.83 2.96 -1.26 -2.81 118.68 120.95 2kss s LEU 103 Ca 0.34 1.86 -0.18 0.00 -0.22 0.00 0.00 54.13 55.94 2kss s LEU 103 Cb 0.07 -3.58 -0.05 0.00 0.50 0.00 0.00 46.19 43.13 2kss s LEU 103 CO 0.13 -0.28 1.07 0.00 -1.32 0.00 0.00 176.35 175.95 2kss s ALA 104 N 0.64 2.73 -0.07 5.97 0.00 -1.15 -4.91 121.76 124.98 2kss s ALA 104 Ca 0.53 0.55 -0.19 0.00 0.00 0.00 0.00 51.96 52.85 2kss s ALA 104 Cb -0.25 -3.27 -0.15 0.00 0.00 0.00 0.00 23.12 19.44 2kss s ALA 104 CO 0.30 -0.73 0.72 -1.00 0.00 0.00 0.00 175.76 175.06 2kss h PRO 105 N 0.83 -0.15 0.00 0.00 0.13 -1.95 -3.49 132.00 127.38 2kss h PRO 105 Ca -0.48 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2kss h PRO 105 Cb 1.23 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2kss h PRO 105 CO 0.57 0.31 0.00 -1.91 -0.23 0.00 0.00 178.00 176.74