#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 -0.16 -0.19 2.02 -1.16 -1.26 -5.15 121.20 115.31 2kss s ILE 22 Ca 0.00 0.00 -0.04 0.00 -0.51 0.00 0.00 60.65 60.10 2kss s ILE 22 Cb 0.00 -1.00 0.09 0.00 0.61 0.00 0.00 42.46 42.16 2kss s ILE 22 CO 0.00 0.00 0.27 -1.10 -2.81 0.00 0.00 174.94 171.30 2kss s GLN 23 N 1.80 0.21 -0.21 3.50 -1.52 -1.26 -5.13 119.66 117.04 2kss s GLN 23 Ca -0.04 0.48 -0.21 0.00 -1.95 0.00 0.00 55.36 53.64 2kss s GLN 23 Cb -0.03 -0.61 -0.02 0.00 -0.22 0.00 0.00 33.01 32.12 2kss s GLN 23 CO -0.15 -0.51 0.63 0.34 -0.25 0.00 0.00 175.29 175.35 2kss s ASP 24 N 2.41 6.65 -0.57 5.90 3.68 -1.26 -5.00 116.67 128.49 2kss s ASP 24 Ca 0.06 0.80 -0.28 0.00 2.13 0.00 0.00 52.55 55.26 2kss s ASP 24 Cb -0.14 -2.35 0.01 0.00 -1.45 0.00 0.00 42.92 38.99 2kss s ASP 24 CO -0.12 -0.30 1.51 -2.16 0.13 0.00 0.00 175.17 174.23 2kss s PRO 25 N 2.09 3.18 -0.10 4.34 0.04 -1.26 -4.74 135.00 138.55 2kss s PRO 25 Ca 0.28 0.50 -0.02 0.00 0.04 0.00 0.00 61.00 61.80 2kss s PRO 25 Cb -0.16 -4.18 -0.06 0.00 0.04 0.00 0.00 34.50 30.15 2kss s PRO 25 CO 0.10 -2.08 -0.11 0.45 0.04 0.00 0.00 177.00 175.39 2kss n SER 26 N 10.16 2.20 -4.62 6.66 2.88 -1.26 -4.94 113.62 124.70 2kss n SER 26 Ca 0.14 0.02 -0.43 0.00 -1.33 0.00 0.00 58.87 57.27 2kss n SER 26 Cb 0.49 -0.22 -0.02 0.00 -0.75 0.00 0.00 64.21 63.71 2kss n SER 26 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2kss s LEU 27 N -6.00 3.76 -0.20 2.46 1.43 -1.26 -4.98 118.68 113.88 2kss s LEU 27 Ca -0.14 1.18 -0.09 0.00 -1.03 0.00 0.00 54.13 54.06 2kss s LEU 27 Cb 0.04 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.68 2kss s LEU 27 CO 0.21 -1.29 0.10 0.27 0.23 0.00 0.00 176.35 175.87 2kss s ILE 28 N 5.11 5.01 -0.17 -0.59 -5.25 -1.26 -5.08 121.20 118.97 2kss s ILE 28 Ca 0.63 0.05 -0.06 0.00 -0.99 0.00 0.00 60.65 60.29 2kss s ILE 28 Cb -0.18 -3.29 -0.03 0.00 2.95 0.00 0.00 42.46 41.91 2kss s ILE 28 CO 0.28 0.42 0.02 -0.63 -1.79 0.00 0.00 174.94 173.24 2kss s ILE 29 N 0.62 4.39 -0.12 8.37 1.09 -1.26 -5.09 121.20 129.19 2kss s ILE 29 Ca 0.05 -0.18 -0.01 0.00 -1.10 0.00 0.00 60.65 59.41 2kss s ILE 29 Cb -0.13 -2.95 -0.02 0.00 -1.06 0.00 0.00 42.46 38.30 2kss s ILE 29 CO 0.01 0.48 -0.09 0.00 -0.10 0.00 0.00 174.94 175.24 2kss s HIS 31 N 0.09 2.00 0.11 0.00 3.76 -1.26 -5.07 115.29 114.91 2kss s HIS 31 Ca -0.03 -0.38 0.02 0.00 -0.15 0.00 0.00 55.06 54.52 2kss s HIS 31 Cb -0.14 -2.60 -0.04 0.00 1.11 0.00 0.00 32.58 30.91 2kss s HIS 31 CO 0.04 -1.15 0.22 -0.51 -0.85 0.00 0.00 174.74 172.48 2kss s ASP 32 N -4.59 6.18 0.02 1.40 1.01 -1.26 -5.01 116.67 114.42 2kss s ASP 32 Ca 0.61 0.16 0.05 0.00 0.71 0.00 0.00 52.55 54.08 2kss s ASP 32 Cb -0.07 -1.84 -0.02 0.00 1.01 0.00 0.00 42.92 42.00 2kss s ASP 32 CO 0.40 0.11 -0.14 -0.69 0.21 0.00 0.00 175.17 175.05 2kss s VAL 33 N -1.62 1.14 -0.21 -1.27 1.01 -1.26 -5.10 120.40 113.09 2kss s VAL 33 Ca 0.34 -0.86 -0.29 0.00 0.00 0.00 0.00 61.98 61.17 2kss s VAL 33 Cb -0.12 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.24 2kss s VAL 33 CO 0.27 0.13 1.60 -1.81 0.00 0.00 0.00 175.10 175.29 2kss s ASP 34 N -0.84 6.41 0.00 3.32 1.01 -1.26 -4.14 116.67 121.18 2kss s ASP 34 Ca 0.03 1.64 0.00 0.00 0.71 0.00 0.00 52.55 54.94 2kss s ASP 34 Cb -0.07 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.33 2kss s ASP 34 CO 0.01 -1.22 0.00 0.61 0.21 0.00 0.00 175.17 174.77 2kss n GLY 35 N 4.60 0.52 3.17 0.21 0.00 -1.26 -5.17 105.19 107.26 2kss n GLY 35 Ca 0.18 -0.76 -0.09 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.22 -0.09 -0.08 4.61 0.00 -1.26 -4.95 121.76 119.77 2kss s ALA 36 Ca 0.00 -0.68 -0.25 0.00 0.00 0.00 0.00 51.96 51.03 2kss s ALA 36 Cb 0.00 0.40 -0.21 0.00 0.00 0.00 0.00 23.12 23.31 2kss s ALA 36 CO 0.00 -0.45 0.92 -1.00 0.00 0.00 0.00 175.76 175.23 2kss h PRO 37 N 2.99 -0.05 -5.13 0.00 0.13 -1.96 -3.47 132.00 124.50 2kss h PRO 37 Ca -0.34 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.19 2kss h PRO 37 Cb 1.19 0.01 -0.13 0.00 0.13 0.00 0.00 31.00 32.20 2kss h PRO 37 CO 0.57 0.61 -0.52 0.14 -0.23 0.00 0.00 178.00 178.56 2kss s VAL 38 N -3.13 0.89 0.21 1.56 -7.23 -1.26 -5.01 120.40 106.42 2kss s VAL 38 Ca -0.16 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.07 2kss s VAL 38 Cb -0.01 -2.32 -0.04 0.00 0.56 0.00 0.00 36.38 34.58 2kss s VAL 38 CO 0.61 0.00 0.17 -0.60 -0.31 0.00 0.00 175.10 174.96 2kss s ARG 39 N -3.78 2.92 0.22 4.82 3.00 -1.26 -5.04 118.95 119.83 2kss s ARG 39 Ca 0.18 -0.95 -0.31 0.00 -1.00 0.00 0.00 55.73 53.64 2kss s ARG 39 Cb 0.03 -2.61 -0.10 0.00 0.00 0.00 0.00 34.95 32.26 2kss s ARG 39 CO 0.10 0.44 1.54 0.42 0.00 0.00 0.00 175.30 177.81 2kss s ILE 40 N -1.93 2.50 0.00 4.11 -1.09 -1.26 -1.01 121.20 122.51 2kss s ILE 40 Ca 0.32 0.38 0.00 0.00 -2.23 0.00 0.00 60.65 59.12 2kss s ILE 40 Cb -0.09 -3.25 0.00 0.00 -1.58 0.00 0.00 42.46 37.54 2kss s ILE 40 CO 0.24 0.05 0.00 0.61 -1.23 0.00 0.00 174.94 174.61 2kss n GLY 41 N 3.00 0.74 3.77 6.18 0.00 -1.24 -4.99 105.19 112.65 2kss n GLY 41 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.10 3.35 -0.26 4.61 0.00 -0.18 -4.79 121.76 121.39 2kss s ALA 42 Ca 0.00 1.17 -0.17 0.00 0.00 0.00 0.00 51.96 52.95 2kss s ALA 42 Cb 0.00 -3.45 -0.03 0.00 0.00 0.00 0.00 23.12 19.64 2kss s ALA 42 CO 0.00 -0.63 0.48 0.21 0.00 0.00 0.00 175.76 175.81 2kss s LYS 43 N -1.99 4.07 0.44 0.00 2.20 -1.26 -2.87 119.74 120.32 2kss s LYS 43 Ca 0.52 0.25 0.06 0.00 -0.36 0.00 0.00 55.97 56.45 2kss s LYS 43 Cb -0.37 -3.64 -0.05 0.00 -1.51 0.00 0.00 37.83 32.26 2kss s LYS 43 CO 0.48 -0.31 0.14 0.14 -0.36 0.00 0.00 175.35 175.44 2kss s VAL 44 N 2.18 2.03 -0.16 4.02 -7.23 -0.77 -3.22 120.40 117.25 2kss s VAL 44 Ca 0.20 -1.78 -0.00 0.00 -1.81 0.00 0.00 61.98 58.58 2kss s VAL 44 Cb -0.16 -2.81 0.04 0.00 0.56 0.00 0.00 36.38 34.01 2kss s VAL 44 CO 0.09 0.00 -0.06 -0.75 -0.31 0.00 0.00 175.10 174.07 2kss s LYS 45 N -3.89 1.52 0.08 4.82 2.20 -1.19 -2.28 119.74 120.99 2kss s LYS 45 Ca 0.35 -0.49 -0.31 0.00 -0.36 0.00 0.00 55.97 55.15 2kss s LYS 45 Cb 0.04 -1.96 -0.08 0.00 -1.51 0.00 0.00 37.83 34.32 2kss s LYS 45 CO 0.19 -0.40 1.48 0.08 -0.36 0.00 0.00 175.35 176.34 2kss s VAL 46 N 1.63 3.26 0.95 4.02 1.01 0.11 -3.96 120.40 127.41 2kss s VAL 46 Ca 0.01 0.80 -0.12 0.00 0.00 0.00 0.00 61.98 62.68 2kss s VAL 46 Cb -0.15 -3.52 0.08 0.00 0.00 0.00 0.00 36.38 32.80 2kss s VAL 46 CO -0.08 0.03 0.69 1.33 0.00 0.00 0.00 175.10 177.07 2kss n VAL 47 N 4.33 0.00 0.05 2.92 0.24 -1.26 -2.65 118.33 121.96 2kss n VAL 47 Ca 0.13 -0.13 -0.08 0.00 -2.04 0.00 0.00 64.34 62.23 2kss n VAL 47 Cb 0.42 -0.77 -0.05 0.00 -1.47 0.00 0.00 33.84 31.97 2kss n VAL 47 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 2kss h PRO 48 N -1.72 -0.22 -6.50 7.34 0.13 -1.90 -3.16 132.00 125.96 2kss h PRO 48 Ca -0.44 0.02 -0.67 0.00 -0.87 0.00 0.00 66.00 64.04 2kss h PRO 48 Cb 1.28 0.05 -0.17 0.00 0.13 0.00 0.00 31.00 32.29 2kss h PRO 48 CO 0.37 0.08 -0.74 -1.58 -0.23 0.00 0.00 178.00 175.90 2kss s HIS 49 N -2.79 2.75 0.46 1.56 2.46 -1.26 -4.55 115.29 113.91 2kss s HIS 49 Ca -0.09 -0.14 -0.21 0.00 0.47 0.00 0.00 55.06 55.09 2kss s HIS 49 Cb 0.00 -1.47 -0.11 0.00 -0.13 0.00 0.00 32.58 30.86 2kss s HIS 49 CO 0.31 0.40 0.59 0.45 -2.47 0.00 0.00 174.74 174.01 2kss n SER 50 N 0.97 -0.69 -0.02 9.88 2.88 -1.26 -4.91 113.62 120.46 2kss n SER 50 Ca -0.14 0.88 -0.01 0.00 -1.33 0.00 0.00 58.87 58.27 2kss n SER 50 Cb 0.52 -1.15 -0.06 0.00 -0.75 0.00 0.00 64.21 62.77 2kss n SER 50 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2kss n GLU 51 N 0.39 1.89 0.00 -1.46 1.02 -1.26 -4.87 120.64 116.36 2kss n GLU 51 Ca 0.11 -0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 2kss n GLU 51 Cb 0.42 -1.19 0.00 0.00 -0.02 0.00 0.00 31.44 30.65 2kss n GLU 51 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2kss n ASP 52 N -2.09 0.17 0.03 1.62 8.00 -1.26 -5.09 116.55 117.94 2kss n ASP 52 Ca -0.08 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.42 2kss n ASP 52 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.65 2kss n ASP 52 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kss n GLY 53 N 2.24 -1.80 3.73 0.44 0.00 -1.26 -5.13 105.19 103.41 2kss n GLY 53 Ca 0.00 0.60 -0.42 0.00 0.00 0.00 0.00 46.02 46.20 2kss n GLY 53 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2kss n THR 54 N -2.45 0.72 -3.62 2.61 5.66 -1.26 -4.86 114.28 111.09 2kss n THR 54 Ca 0.00 -0.18 -0.03 0.00 -3.05 0.00 0.00 64.05 60.79 2kss n THR 54 Cb 0.00 -1.92 -0.01 0.00 -1.55 0.00 0.00 70.33 66.84 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 0.32 0.00 -0.06 1.09 1.10 -1.26 -4.55 121.20 117.84 2kss s ILE 55 Ca 0.68 -0.20 -0.02 0.00 -0.51 0.00 0.00 60.65 60.59 2kss s ILE 55 Cb -0.51 -1.49 0.03 0.00 0.15 0.00 0.00 42.46 40.64 2kss s ILE 55 CO 0.44 0.00 0.06 -0.44 -2.11 0.00 0.00 174.94 172.89 2kss s SER 56 N -2.63 1.36 0.35 4.50 0.01 -1.26 -4.99 113.70 111.03 2kss s SER 56 Ca 0.10 -0.04 0.26 0.00 1.31 0.00 0.00 55.95 57.59 2kss s SER 56 Cb 0.01 -0.19 1.21 0.00 0.21 0.00 0.00 66.02 67.26 2kss s SER 56 CO -0.04 -0.26 1.79 -0.61 0.41 0.00 0.00 173.24 174.53 2kss h GLN 57 N 8.42 0.00 0.22 12.44 4.15 -1.97 -1.97 115.11 136.41 2kss h GLN 57 Ca -0.13 0.00 -0.32 0.00 0.77 0.00 0.00 58.65 58.97 2kss h GLN 57 Cb 1.12 0.00 0.04 0.00 0.21 0.00 0.00 27.48 28.85 2kss h GLN 57 CO 0.18 0.00 -1.40 -0.09 -1.93 0.00 0.00 178.83 175.59 2kss h ARG 58 N 0.00 0.55 -0.66 1.69 2.43 -1.97 -3.23 114.38 113.19 2kss h ARG 58 Ca 0.00 -0.89 0.00 0.00 -0.81 0.00 0.00 59.98 58.28 2kss h ARG 58 Cb 0.25 0.33 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 2kss h ARG 58 CO 0.00 1.42 0.00 1.19 -1.51 0.00 0.00 179.97 181.07 2kss n PHE 59 N -3.76 1.29 -1.53 2.20 3.72 -0.83 -4.88 117.46 113.67 2kss n PHE 59 Ca -0.16 -0.47 -0.40 0.00 -0.05 0.00 0.00 57.45 56.36 2kss n PHE 59 Cb 1.07 -0.30 -0.06 0.00 -0.94 0.00 0.00 39.48 39.25 2kss n PHE 59 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 2kss n LEU 60 N 0.58 2.02 -1.51 4.37 0.00 -0.80 0.25 117.00 121.91 2kss n LEU 60 Ca 0.19 -0.14 -0.09 0.00 0.00 0.00 0.00 56.01 55.97 2kss n LEU 60 Cb 0.81 -1.40 0.02 0.00 0.00 0.00 0.00 43.42 42.85 2kss n LEU 60 CO 0.20 -1.17 0.03 0.61 0.00 0.00 0.00 177.39 177.07 2kss n GLY 61 N 6.17 0.24 3.96 -3.96 0.00 -1.09 -4.89 105.19 105.62 2kss n GLY 61 Ca 0.42 -0.37 -0.20 0.00 0.00 0.00 0.00 46.02 45.87 2kss n GLY 61 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2kss s GLN 62 N -5.18 3.20 -0.09 1.61 2.00 0.14 -4.91 119.66 116.43 2kss s GLN 62 Ca 0.16 -0.94 0.01 0.00 -2.00 0.00 0.00 55.36 52.60 2kss s GLN 62 Cb -0.07 -2.80 0.02 0.00 0.80 0.00 0.00 33.01 30.96 2kss s GLN 62 CO 0.20 0.25 -0.12 0.99 -0.50 0.00 0.00 175.29 176.11 2kss s THR 63 N -2.10 1.23 0.00 -0.34 2.01 -1.26 0.08 115.64 115.26 2kss s THR 63 Ca 0.39 -0.49 0.00 0.00 0.31 0.00 0.00 61.69 61.90 2kss s THR 63 Cb -0.09 -1.15 0.00 0.00 0.01 0.00 0.00 72.50 71.27 2kss s THR 63 CO 0.29 0.39 0.00 0.61 -0.69 0.00 0.00 174.62 175.22 2kss n GLY 64 N 4.20 5.26 3.11 4.40 0.00 -0.97 -4.53 105.19 116.66 2kss n GLY 64 Ca -0.19 -1.40 -0.13 0.00 0.00 0.00 0.00 46.02 44.30 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 -0.71 0.64 0.21 -0.61 1.01 -1.15 -1.85 121.20 118.74 2kss s ILE 65 Ca 0.00 -1.38 -0.27 0.00 0.00 0.00 0.00 60.65 59.00 2kss s ILE 65 Cb 0.00 -1.00 -0.08 0.00 0.01 0.00 0.00 42.46 41.39 2kss s ILE 65 CO 0.00 -0.53 0.84 -0.69 0.00 0.00 0.00 174.94 174.57 2kss s VAL 66 N -2.10 4.26 -0.18 2.92 1.01 -1.14 -2.44 120.40 122.73 2kss s VAL 66 Ca -0.02 1.83 -0.19 0.00 0.00 0.00 0.00 61.98 63.60 2kss s VAL 66 Cb -0.05 -4.19 -0.22 0.00 0.00 0.00 0.00 36.38 31.92 2kss s VAL 66 CO -0.01 0.48 0.32 0.58 0.00 0.00 0.00 175.10 176.46 2kss h VAL 67 N 3.18 0.94 0.00 2.92 2.07 -1.87 -3.29 116.25 120.21 2kss h VAL 67 Ca -0.46 -2.24 0.00 0.00 0.82 0.00 0.00 66.70 64.81 2kss h VAL 67 Cb 1.20 2.40 0.00 0.00 -1.52 0.00 0.00 31.29 33.37 2kss h VAL 67 CO 0.67 0.47 0.00 0.61 0.02 0.00 0.00 177.57 179.34 2kss n GLY 68 N 1.57 3.71 3.59 2.17 0.00 -1.26 -4.86 105.19 110.10 2kss n GLY 68 Ca -0.30 -0.64 -0.06 0.00 0.00 0.00 0.00 46.02 45.02 2kss n GLY 68 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2kss s LEU 69 N 0.00 -0.28 -0.51 0.99 0.20 -1.26 -4.78 118.68 113.03 2kss s LEU 69 Ca 0.00 -0.12 -0.16 0.00 0.69 0.00 0.00 54.13 54.54 2kss s LEU 69 Cb 0.00 1.99 0.11 0.00 -0.43 0.00 0.00 46.19 47.86 2kss s LEU 69 CO 0.00 -0.66 0.46 0.68 -0.29 0.00 0.00 176.35 176.54 2kss s VAL 70 N -3.09 5.22 0.22 1.68 -7.23 -1.26 -4.13 120.40 111.81 2kss s VAL 70 Ca 0.08 -1.32 -0.00 0.00 -1.81 0.00 0.00 61.98 58.93 2kss s VAL 70 Cb -0.01 -4.25 -0.04 0.00 0.56 0.00 0.00 36.38 32.64 2kss s VAL 70 CO -0.05 -0.75 0.12 -0.36 -0.31 0.00 0.00 175.10 173.74 2kss s PHE 71 N 1.62 1.31 -0.65 2.82 0.08 -1.26 -4.88 117.98 117.03 2kss s PHE 71 Ca 0.03 -1.30 -0.38 0.00 0.12 0.00 0.00 56.93 55.41 2kss s PHE 71 Cb -0.28 -0.70 -0.19 0.00 -0.57 0.00 0.00 43.02 41.29 2kss s PHE 71 CO 0.05 -0.51 2.34 -3.47 -0.10 0.00 0.00 175.22 173.52 2kss n ASP 72 N -0.35 0.79 -4.63 1.36 2.03 -1.26 -4.77 116.55 109.73 2kss n ASP 72 Ca 0.01 0.45 -0.43 0.00 0.52 0.00 0.00 54.79 55.35 2kss n ASP 72 Cb 0.66 -0.97 -0.03 0.00 -0.72 0.00 0.00 41.12 40.07 2kss n ASP 72 CO 0.00 0.00 0.00 1.51 -1.92 0.00 0.00 177.20 176.79 2kss s ASP 73 N 7.32 6.25 0.42 1.67 1.47 -1.26 -4.80 116.67 127.73 2kss s ASP 73 Ca 1.23 1.80 0.00 0.00 1.18 0.00 0.00 52.55 56.76 2kss s ASP 73 Cb -1.31 -2.53 0.00 0.00 -0.34 0.00 0.00 42.92 38.74 2kss s ASP 73 CO 0.57 -1.34 0.00 -0.81 0.68 0.00 0.00 175.17 174.28 2kss n PRO 74 N 7.81 0.37 0.00 2.11 -0.04 -1.26 -4.87 135.00 139.12 2kss n PRO 74 Ca 0.21 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.81 2kss n PRO 74 Cb 0.45 0.00 0.60 0.00 -0.04 0.00 0.00 33.50 34.51 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 2.76 -0.86 0.55 0.00 -1.26 -3.26 120.51 115.44 2kss n ALA 75 Ca 0.00 -0.26 0.03 0.00 0.00 0.00 0.00 53.44 53.21 2kss n ALA 75 Cb 0.00 -1.34 0.04 0.00 0.00 0.00 0.00 19.45 18.16 2kss n ALA 75 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2kss n THR 76 N -1.00 0.91 -1.65 0.00 -1.04 -1.26 -5.12 114.28 105.13 2kss n THR 76 Ca 0.14 -1.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.12 2kss n THR 76 Cb 0.28 0.37 0.00 0.00 -1.82 0.00 0.00 70.33 69.16 2kss n THR 76 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 2kss n GLN 77 N -0.61 -4.45 -3.52 -2.82 0.00 -1.20 -5.05 117.38 99.72 2kss n GLN 77 Ca 0.05 3.42 -0.12 0.00 -0.00 0.00 0.00 57.00 60.34 2kss n GLN 77 Cb 0.49 -4.15 -0.04 0.00 0.00 0.00 0.00 30.24 26.54 2kss n GLN 77 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.06 176.59 2kss s TYR 78 N -4.98 -0.47 -0.06 3.69 6.14 -1.26 -4.73 117.35 115.68 2kss s TYR 78 Ca 0.00 0.63 -0.11 0.00 0.64 0.00 0.00 57.07 58.23 2kss s TYR 78 Cb 0.00 0.47 -0.06 0.00 0.42 0.00 0.00 41.96 42.79 2kss s TYR 78 CO 0.00 -0.53 0.43 -1.00 0.64 0.00 0.00 175.55 175.09 2kss h PRO 79 N 2.47 -0.30 0.00 4.97 0.13 -1.93 -3.41 132.00 133.93 2kss h PRO 79 Ca -0.24 0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 64.87 2kss h PRO 79 Cb 1.19 0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 2kss h PRO 79 CO 0.34 -0.15 -1.17 -0.25 -0.23 0.00 0.00 178.00 176.54 2kss n ASP 80 N -4.98 4.34 -4.40 1.44 8.00 -1.26 -5.06 116.55 114.62 2kss n ASP 80 Ca -0.05 0.00 -0.20 0.00 0.71 0.00 0.00 54.79 55.26 2kss n ASP 80 Cb 0.15 0.67 -0.10 0.00 -0.02 0.00 0.00 41.12 41.82 2kss n ASP 80 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 2kss s ASP 81 N -3.14 2.03 0.12 -2.24 1.01 -1.26 -5.06 116.67 108.13 2kss s ASP 81 Ca -0.01 -1.35 -0.08 0.00 0.71 0.00 0.00 52.55 51.82 2kss s ASP 81 Cb 0.01 -0.02 -0.11 0.00 1.01 0.00 0.00 42.92 43.81 2kss s ASP 81 CO 0.11 -0.61 1.30 1.55 0.21 0.00 0.00 175.17 177.73 2kss h PRO 82 N 2.24 0.56 -5.01 8.23 0.13 -1.86 -3.39 132.00 132.88 2kss h PRO 82 Ca -0.40 -0.54 -0.51 0.00 -0.87 0.00 0.00 66.00 63.68 2kss h PRO 82 Cb 1.24 0.14 -0.13 0.00 0.13 0.00 0.00 31.00 32.38 2kss h PRO 82 CO 0.67 1.17 -0.53 -0.48 -0.23 0.00 0.00 178.00 178.59 2kss s LEU 83 N -8.00 1.92 0.38 1.56 2.34 -1.26 -4.55 118.68 111.08 2kss s LEU 83 Ca -0.08 -1.63 -0.25 0.00 0.06 0.00 0.00 54.13 52.24 2kss s LEU 83 Cb 0.09 -0.02 -0.09 0.00 -0.56 0.00 0.00 46.19 45.61 2kss s LEU 83 CO 0.88 -0.90 1.08 0.27 -1.06 0.00 0.00 176.35 176.62 2kss s ILE 84 N -3.32 3.58 -0.06 1.48 -4.36 -1.26 -4.50 121.20 112.77 2kss s ILE 84 Ca 0.29 1.28 0.01 0.00 -0.26 0.00 0.00 60.65 61.97 2kss s ILE 84 Cb 0.04 -3.70 0.02 0.00 1.25 0.00 0.00 42.46 40.07 2kss s ILE 84 CO 0.16 0.07 -0.06 0.00 0.24 0.00 0.00 174.94 175.36 2kss s GLN 85 N -2.31 1.03 -0.14 0.37 -2.07 -1.26 -1.83 119.66 113.45 2kss s GLN 85 Ca 0.56 -0.15 -0.12 0.00 -1.82 0.00 0.00 55.36 53.82 2kss s GLN 85 Cb -0.25 -1.03 -0.05 0.00 -1.09 0.00 0.00 33.01 30.59 2kss s GLN 85 CO 0.31 -0.11 0.26 0.08 -1.32 0.00 0.00 175.29 174.52 2kss s VAL 86 N 1.07 5.32 -0.14 3.63 1.01 0.37 -2.45 120.40 129.21 2kss s VAL 86 Ca -0.08 0.48 0.01 0.00 0.00 0.00 0.00 61.98 62.39 2kss s VAL 86 Cb -0.14 -3.58 0.02 0.00 0.00 0.00 0.00 36.38 32.68 2kss s VAL 86 CO -0.01 0.46 -0.15 -0.22 0.00 0.00 0.00 175.10 175.19 2kss s LEU 87 N -0.02 1.71 0.19 3.92 0.20 -1.02 -1.65 118.68 122.01 2kss s LEU 87 Ca 0.16 -0.47 -0.07 0.00 0.69 0.00 0.00 54.13 54.44 2kss s LEU 87 Cb -0.13 -1.16 -0.06 0.00 -0.43 0.00 0.00 46.19 44.40 2kss s LEU 87 CO 0.04 -0.03 0.46 -0.69 -0.29 0.00 0.00 176.35 175.84 2kss s VAL 88 N 1.30 5.06 0.10 1.68 1.01 -1.03 -2.91 120.40 125.61 2kss s VAL 88 Ca 0.01 0.22 -0.31 0.00 0.00 0.00 0.00 61.98 61.90 2kss s VAL 88 Cb -0.14 -3.63 -0.07 0.00 0.00 0.00 0.00 36.38 32.55 2kss s VAL 88 CO -0.07 -0.02 1.32 -1.61 0.00 0.00 0.00 175.10 174.71 2kss s GLU 89 N -2.76 4.36 0.00 2.72 2.02 -1.26 -2.05 118.70 121.72 2kss s GLU 89 Ca 0.44 1.97 0.00 0.00 0.02 0.00 0.00 54.97 57.39 2kss s GLU 89 Cb -0.12 -3.28 0.00 0.00 0.10 0.00 0.00 34.13 30.84 2kss s GLU 89 CO 0.23 -0.36 0.00 0.41 0.02 0.00 0.00 175.26 175.56 2kss n GLY 90 N 3.33 0.73 0.00 -1.39 0.00 -1.26 -4.95 105.19 101.65 2kss n GLY 90 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.87 -5.17 117.00 116.27 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 0.01 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.81 2kss n LEU 91 CO 0.00 -0.02 0.00 0.61 -1.22 0.00 0.00 177.39 176.76 2kss n GLY 92 N 5.00 1.78 2.99 -0.72 0.00 -1.26 -4.69 105.19 108.28 2kss n GLY 92 Ca 0.00 -2.06 -0.18 0.00 0.00 0.00 0.00 46.02 43.78 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 0.57 0.69 0.20 1.61 -1.05 -1.26 -2.47 118.70 116.99 2kss s GLU 93 Ca 0.00 -0.26 0.01 0.00 -0.15 0.00 0.00 54.97 54.57 2kss s GLU 93 Cb 0.00 -0.67 -0.05 0.00 -0.44 0.00 0.00 34.13 32.98 2kss s GLU 93 CO 0.00 0.13 0.04 0.34 0.95 0.00 0.00 175.26 176.73 2kss s ASP 94 N -0.02 1.10 -0.21 0.83 -1.08 -0.66 -4.98 116.67 111.66 2kss s ASP 94 Ca 0.01 -1.26 -0.09 0.00 -0.52 0.00 0.00 52.55 50.68 2kss s ASP 94 Cb -0.05 0.16 -0.05 0.00 -1.46 0.00 0.00 42.92 41.52 2kss s ASP 94 CO -0.00 -0.65 0.12 -0.76 0.52 0.00 0.00 175.17 174.40 2kss s LEU 95 N -3.21 4.01 0.25 -1.34 1.43 -1.26 -0.48 118.68 118.07 2kss s LEU 95 Ca 0.30 0.12 0.09 0.00 -1.03 0.00 0.00 54.13 53.61 2kss s LEU 95 Cb 0.07 -2.05 -0.05 0.00 0.03 0.00 0.00 46.19 44.19 2kss s LEU 95 CO 0.08 0.13 -0.15 -0.36 0.23 0.00 0.00 176.35 176.27 2kss s PHE 96 N 0.66 1.98 0.45 0.29 0.40 -0.76 -4.93 117.98 116.07 2kss s PHE 96 Ca 0.06 -0.50 -0.05 0.00 -0.60 0.00 0.00 56.93 55.84 2kss s PHE 96 Cb -0.12 -0.93 -0.04 0.00 0.51 0.00 0.00 43.02 42.44 2kss s PHE 96 CO 0.01 0.49 0.75 -0.06 0.70 0.00 0.00 175.22 177.11 2kss s PHE 97 N -2.80 3.54 -0.22 0.36 0.40 -1.26 -4.18 117.98 113.83 2kss s PHE 97 Ca 0.26 0.78 0.28 0.00 -0.60 0.00 0.00 56.93 57.65 2kss s PHE 97 Cb -0.02 -2.26 0.88 0.00 0.51 0.00 0.00 43.02 42.13 2kss s PHE 97 CO 0.11 -0.20 1.80 -1.00 0.70 0.00 0.00 175.22 176.62 2kss h PRO 98 N 0.45 0.00 -0.02 0.24 0.13 -1.97 -2.71 132.00 128.12 2kss h PRO 98 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2kss h PRO 98 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2kss h PRO 98 CO 0.62 0.00 -0.17 -0.85 -0.23 0.00 0.00 178.00 177.37 2kss n GLU 99 N -2.98 1.90 -0.00 0.86 0.28 -1.26 -4.53 120.64 114.91 2kss n GLU 99 Ca 0.02 -1.56 -0.00 0.00 -0.16 0.00 0.00 57.16 55.46 2kss n GLU 99 Cb 0.40 -1.47 -0.00 0.00 1.43 0.00 0.00 31.44 31.80 2kss n GLU 99 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 2kss h GLU 100 N 3.82 0.00 -6.57 3.44 4.39 -1.87 -3.48 114.58 114.31 2kss h GLU 100 Ca 0.00 0.00 -0.43 0.00 0.34 0.00 0.00 59.36 59.27 2kss h GLU 100 Cb 0.90 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.57 2kss h GLU 100 CO 0.00 0.00 -0.19 -0.48 -1.16 0.00 0.00 179.01 177.18 2kss s LEU 101 N -4.54 3.61 0.34 1.33 0.05 -1.22 -4.77 118.68 113.49 2kss s LEU 101 Ca -0.00 -0.15 0.10 0.00 0.05 0.00 0.00 54.13 54.12 2kss s LEU 101 Cb 0.00 -2.82 -0.06 0.00 -2.05 0.00 0.00 46.19 41.26 2kss s LEU 101 CO 0.01 -0.80 -0.08 -1.83 -0.55 0.00 0.00 176.35 173.10 2kss s GLU 102 N -4.47 1.87 0.05 1.48 -1.05 -1.25 -4.82 118.70 110.50 2kss s GLU 102 Ca 0.53 -1.89 -0.30 0.00 -0.15 0.00 0.00 54.97 53.15 2kss s GLU 102 Cb -0.10 -1.75 -0.05 0.00 -0.44 0.00 0.00 34.13 31.79 2kss s GLU 102 CO 0.35 0.15 1.07 -1.17 0.95 0.00 0.00 175.26 176.60 2kss s LEU 103 N -3.63 4.40 0.19 1.83 0.20 -1.26 -3.17 118.68 117.23 2kss s LEU 103 Ca 0.33 1.84 -0.04 0.00 0.69 0.00 0.00 54.13 56.96 2kss s LEU 103 Cb 0.02 -3.58 -0.05 0.00 -0.43 0.00 0.00 46.19 42.15 2kss s LEU 103 CO 0.17 -0.31 0.42 0.00 -0.29 0.00 0.00 176.35 176.34 2kss s ALA 104 N 0.79 3.77 -0.07 5.97 0.00 -1.20 -4.93 121.76 126.10 2kss s ALA 104 Ca 0.54 -0.64 -0.19 0.00 0.00 0.00 0.00 51.96 51.66 2kss s ALA 104 Cb -0.25 -2.12 -0.15 0.00 0.00 0.00 0.00 23.12 20.60 2kss s ALA 104 CO 0.29 0.52 0.73 -1.00 0.00 0.00 0.00 175.76 176.30 2kss h PRO 105 N 2.36 -0.15 -0.03 0.00 0.13 -1.96 -3.46 132.00 128.89 2kss h PRO 105 Ca -0.47 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2kss h PRO 105 Cb 1.18 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2kss h PRO 105 CO 0.70 0.31 0.00 -1.91 -0.23 0.00 0.00 178.00 176.86