#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kss n ILE 22 N 0.00 0.00 -3.11 2.02 0.13 -1.26 -4.08 119.36 113.07 2kss n ILE 22 Ca 0.00 0.00 -0.25 0.00 -1.10 0.00 0.00 62.75 61.40 2kss n ILE 22 Cb 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 39.64 38.79 2kss n ILE 22 CO 0.00 0.00 0.00 -1.10 2.80 0.00 0.00 176.55 178.25 2kss s GLN 23 N 0.00 3.50 0.34 9.51 -0.21 -1.26 -5.07 119.66 126.47 2kss s GLN 23 Ca 0.00 -0.15 -0.25 0.00 0.02 0.00 0.00 55.36 54.99 2kss s GLN 23 Cb 0.00 -2.56 -0.10 0.00 1.00 0.00 0.00 33.01 31.35 2kss s GLN 23 CO 0.00 0.01 0.94 0.16 -2.12 0.00 0.00 175.29 174.29 2kss s ASP 24 N -4.06 7.26 -0.67 5.90 1.47 -1.26 -4.97 116.67 120.33 2kss s ASP 24 Ca 0.43 1.80 -0.27 0.00 1.18 0.00 0.00 52.55 55.69 2kss s ASP 24 Cb -0.10 -2.57 0.01 0.00 -0.34 0.00 0.00 42.92 39.92 2kss s ASP 24 CO 0.39 -0.12 1.55 -2.16 0.68 0.00 0.00 175.17 175.51 2kss s PRO 25 N -2.27 2.94 0.02 2.11 0.04 -1.26 -4.83 135.00 131.75 2kss s PRO 25 Ca 0.52 0.19 -0.19 0.00 0.04 0.00 0.00 61.00 61.57 2kss s PRO 25 Cb -0.17 -4.27 -0.21 0.00 0.04 0.00 0.00 34.50 29.89 2kss s PRO 25 CO 0.22 -2.40 1.15 0.66 0.04 0.00 0.00 177.00 176.67 2kss h SER 26 N 12.33 0.56 -2.71 6.66 4.64 -2.04 -3.43 113.55 129.55 2kss h SER 26 Ca -0.27 -0.71 -0.55 0.00 -0.47 0.00 0.00 61.79 59.79 2kss h SER 26 Cb 1.10 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 63.01 2kss h SER 26 CO 1.24 1.18 1.02 -0.22 -0.87 0.00 0.00 176.83 179.19 2kss s LEU 27 N -8.46 4.29 0.22 5.97 0.20 -1.26 -4.99 118.68 114.64 2kss s LEU 27 Ca -0.13 2.10 -0.01 0.00 0.69 0.00 0.00 54.13 56.77 2kss s LEU 27 Cb 0.04 -3.54 -0.04 0.00 -0.43 0.00 0.00 46.19 42.22 2kss s LEU 27 CO 0.82 -0.87 0.42 0.27 -0.29 0.00 0.00 176.35 176.70 2kss s ILE 28 N 3.74 5.18 -0.07 6.68 -4.36 -1.26 -5.10 121.20 126.00 2kss s ILE 28 Ca 0.68 -0.29 -0.00 0.00 -0.26 0.00 0.00 60.65 60.77 2kss s ILE 28 Cb -0.30 -3.73 0.03 0.00 1.25 0.00 0.00 42.46 39.70 2kss s ILE 28 CO 0.26 -0.20 -0.03 -0.63 0.24 0.00 0.00 174.94 174.58 2kss s ILE 29 N -1.90 0.60 0.13 8.37 1.01 -1.26 -5.14 121.20 123.01 2kss s ILE 29 Ca 0.39 -0.06 0.10 0.00 0.00 0.00 0.00 60.65 61.09 2kss s ILE 29 Cb -0.11 -0.68 -0.04 0.00 0.01 0.00 0.00 42.46 41.64 2kss s ILE 29 CO 0.29 0.28 -0.23 0.00 0.00 0.00 0.00 174.94 175.29 2kss n HIS 31 N 0.78 -2.07 -3.65 0.00 -0.00 -1.26 -5.14 115.22 103.88 2kss n HIS 31 Ca -0.16 -2.00 -0.37 0.00 0.46 0.00 0.00 57.72 55.65 2kss n HIS 31 Cb 0.53 0.80 -0.09 0.00 -0.12 0.00 0.00 29.99 31.11 2kss n HIS 31 CO 0.00 0.00 0.00 0.34 0.46 0.00 0.00 176.34 177.14 2kss s ASP 32 N -3.08 6.13 0.00 0.26 2.15 -1.26 -5.06 116.67 115.81 2kss s ASP 32 Ca 0.20 0.12 -0.00 0.00 0.43 0.00 0.00 52.55 53.30 2kss s ASP 32 Cb -0.04 -2.11 -0.04 0.00 -0.30 0.00 0.00 42.92 40.44 2kss s ASP 32 CO 0.15 0.06 0.08 -0.69 -0.17 0.00 0.00 175.17 174.59 2kss s VAL 33 N 1.09 4.70 0.15 1.11 1.01 -1.26 -5.08 120.40 122.13 2kss s VAL 33 Ca 0.08 -0.45 -0.30 0.00 0.00 0.00 0.00 61.98 61.31 2kss s VAL 33 Cb -0.14 -3.16 -0.07 0.00 0.00 0.00 0.00 36.38 33.01 2kss s VAL 33 CO 0.05 0.33 1.20 -1.81 0.00 0.00 0.00 175.10 174.87 2kss s ASP 34 N -1.80 7.08 0.00 3.32 -0.00 -1.26 -4.12 116.67 119.89 2kss s ASP 34 Ca 0.23 2.18 0.00 0.00 -0.00 0.00 0.00 52.55 54.97 2kss s ASP 34 Cb -0.12 -2.60 0.00 0.00 -0.00 0.00 0.00 42.92 40.20 2kss s ASP 34 CO 0.15 -0.40 0.00 0.61 -0.00 0.00 0.00 175.17 175.53 2kss n GLY 35 N 2.46 0.62 3.33 0.21 0.00 -1.26 -5.14 105.19 105.41 2kss n GLY 35 Ca 0.06 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.92 1.86 -0.07 4.61 0.00 -1.26 -5.00 121.76 120.99 2kss s ALA 36 Ca 0.00 -1.70 -0.16 0.00 0.00 0.00 0.00 51.96 50.09 2kss s ALA 36 Cb 0.00 0.21 -0.12 0.00 0.00 0.00 0.00 23.12 23.21 2kss s ALA 36 CO 0.00 -0.12 0.62 -1.00 0.00 0.00 0.00 175.76 175.26 2kss h PRO 37 N 2.53 -0.20 -5.13 0.00 0.13 -1.96 -3.48 132.00 123.89 2kss h PRO 37 Ca -0.38 0.01 -0.60 0.00 -0.87 0.00 0.00 66.00 64.16 2kss h PRO 37 Cb 1.22 0.05 -0.13 0.00 0.13 0.00 0.00 31.00 32.26 2kss h PRO 37 CO 0.64 0.15 -0.52 0.14 -0.23 0.00 0.00 178.00 178.18 2kss s VAL 38 N -2.84 0.88 0.16 1.56 -7.23 -1.26 -5.04 120.40 106.63 2kss s VAL 38 Ca -0.10 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.13 2kss s VAL 38 Cb -0.00 -2.33 -0.04 0.00 0.56 0.00 0.00 36.38 34.57 2kss s VAL 38 CO 0.35 0.00 0.05 -0.60 -0.31 0.00 0.00 175.10 174.59 2kss s ARG 39 N -3.78 2.62 0.29 4.82 3.52 -1.26 -4.96 118.95 120.20 2kss s ARG 39 Ca 0.19 -0.98 -0.30 0.00 -0.13 0.00 0.00 55.73 54.50 2kss s ARG 39 Cb 0.03 -2.49 -0.11 0.00 -1.56 0.00 0.00 34.95 30.82 2kss s ARG 39 CO 0.11 0.48 1.56 0.42 -0.81 0.00 0.00 175.30 177.05 2kss s ILE 40 N -1.69 2.18 -0.12 4.11 -1.09 -1.26 -1.14 121.20 122.19 2kss s ILE 40 Ca 0.29 0.16 0.00 0.00 -2.23 0.00 0.00 60.65 58.86 2kss s ILE 40 Cb -0.10 -3.10 0.00 0.00 -1.58 0.00 0.00 42.46 37.68 2kss s ILE 40 CO 0.20 0.03 0.00 0.61 -1.23 0.00 0.00 174.94 174.55 2kss n GLY 41 N 2.12 0.48 3.75 6.18 0.00 -1.23 -5.00 105.19 111.49 2kss n GLY 41 Ca 0.08 -0.21 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.88 3.34 -0.27 4.61 0.00 -0.29 -4.89 121.76 122.38 2kss s ALA 42 Ca 0.00 0.48 -0.17 0.00 0.00 0.00 0.00 51.96 52.27 2kss s ALA 42 Cb 0.00 -3.13 -0.03 0.00 0.00 0.00 0.00 23.12 19.96 2kss s ALA 42 CO 0.00 0.12 0.47 0.15 0.00 0.00 0.00 175.76 176.50 2kss s LYS 43 N -0.54 4.03 0.43 0.00 1.02 -1.26 -2.64 119.74 120.77 2kss s LYS 43 Ca 0.41 0.21 0.06 0.00 0.02 0.00 0.00 55.97 56.67 2kss s LYS 43 Cb -0.23 -3.66 -0.06 0.00 -0.52 0.00 0.00 37.83 33.35 2kss s LYS 43 CO 0.28 -0.35 0.01 0.14 -0.92 0.00 0.00 175.35 174.51 2kss s VAL 44 N 2.25 1.76 -0.19 3.17 -7.23 -0.57 -3.38 120.40 116.21 2kss s VAL 44 Ca 0.19 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.37 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 0.10 0.00 -0.12 -0.75 -0.31 0.00 0.00 175.10 174.01 2kss s LYS 45 N -3.75 2.22 -0.22 4.82 2.20 -1.23 -2.53 119.74 121.24 2kss s LYS 45 Ca 0.29 -0.81 -0.29 0.00 -0.36 0.00 0.00 55.97 54.80 2kss s LYS 45 Cb 0.08 -2.40 -0.03 0.00 -1.51 0.00 0.00 37.83 33.97 2kss s LYS 45 CO 0.15 -0.37 1.74 0.08 -0.36 0.00 0.00 175.35 176.59 2kss s VAL 46 N 1.38 3.53 0.96 4.02 1.01 -1.02 -4.12 120.40 126.17 2kss s VAL 46 Ca 0.00 0.58 -0.12 0.00 0.00 0.00 0.00 61.98 62.44 2kss s VAL 46 Cb -0.15 -3.57 0.09 0.00 0.00 0.00 0.00 36.38 32.75 2kss s VAL 46 CO -0.09 -0.27 0.65 1.33 0.00 0.00 0.00 175.10 176.73 2kss n VAL 47 N 6.69 0.00 0.04 2.92 0.24 -1.26 -3.38 118.33 123.57 2kss n VAL 47 Ca 0.21 -0.15 -0.09 0.00 -2.04 0.00 0.00 64.34 62.27 2kss n VAL 47 Cb 0.45 -0.76 -0.06 0.00 -1.47 0.00 0.00 33.84 32.00 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 -1.78 -0.19 -6.30 7.34 0.13 -1.92 -3.40 132.00 125.88 2kss h PRO 48 Ca -0.45 0.01 -0.61 0.00 -0.87 0.00 0.00 66.00 64.08 2kss h PRO 48 Cb 1.29 0.04 -0.14 0.00 0.13 0.00 0.00 31.00 32.32 2kss h PRO 48 CO 0.38 0.18 -0.76 -1.01 -0.23 0.00 0.00 178.00 176.56 2kss s HIS 49 N -2.88 2.35 0.40 1.56 3.76 -1.26 -4.69 115.29 114.53 2kss s HIS 49 Ca -0.10 -0.32 0.08 0.00 -0.15 0.00 0.00 55.06 54.57 2kss s HIS 49 Cb -0.00 -1.06 -0.06 0.00 1.11 0.00 0.00 32.58 32.57 2kss s HIS 49 CO 0.37 0.66 0.11 0.45 -0.85 0.00 0.00 174.74 175.47 2kss s SER 50 N -3.33 4.24 0.02 1.40 0.15 -1.26 -5.04 113.70 109.88 2kss s SER 50 Ca 0.28 -1.14 0.17 0.00 0.70 0.00 0.00 55.95 55.96 2kss s SER 50 Cb -0.06 -0.47 -0.17 0.00 -1.71 0.00 0.00 66.02 63.61 2kss s SER 50 CO 0.15 -0.46 0.72 1.21 1.20 0.00 0.00 173.24 176.05 2kss n GLU 51 N -1.12 0.63 0.00 5.44 0.00 -1.26 -4.63 120.64 119.70 2kss n GLU 51 Ca -0.03 0.19 0.00 0.00 0.00 0.00 0.00 57.16 57.32 2kss n GLU 51 Cb 0.65 -1.77 0.00 0.00 0.00 0.00 0.00 31.44 30.32 2kss n GLU 51 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 2kss n ASP 52 N -2.86 0.00 0.03 4.31 2.03 -1.26 -5.05 116.55 113.74 2kss n ASP 52 Ca -0.12 0.05 0.00 0.00 0.52 0.00 0.00 54.79 55.24 2kss n ASP 52 Cb 0.88 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.28 2kss n ASP 52 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kss n GLY 53 N 2.12 -0.68 3.74 0.27 0.00 -1.26 -5.13 105.19 104.25 2kss n GLY 53 Ca 0.00 0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.49 0.88 -3.66 2.61 5.66 -1.26 -4.84 114.28 111.17 2kss n THR 54 Ca 0.00 -0.22 -0.10 0.00 -3.05 0.00 0.00 64.05 60.68 2kss n THR 54 Cb 0.00 -1.92 -0.03 0.00 -1.55 0.00 0.00 70.33 66.82 2kss n THR 54 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 2kss s ILE 55 N 0.15 0.02 -0.18 1.09 -1.09 -1.26 -4.64 121.20 115.29 2kss s ILE 55 Ca 0.66 -0.58 -0.00 0.00 -2.23 0.00 0.00 60.65 58.49 2kss s ILE 55 Cb -0.51 -1.43 0.01 0.00 -1.58 0.00 0.00 42.46 38.95 2kss s ILE 55 CO 0.46 -0.10 -0.15 -0.94 -1.23 0.00 0.00 174.94 172.98 2kss s SER 56 N -2.84 3.57 0.25 3.58 1.04 -1.26 -4.97 113.70 113.06 2kss s SER 56 Ca 0.07 -0.52 0.23 0.00 0.48 0.00 0.00 55.95 56.20 2kss s SER 56 Cb -0.01 -1.56 0.09 0.00 0.10 0.00 0.00 66.02 64.64 2kss s SER 56 CO -0.06 0.03 1.18 -0.61 0.98 0.00 0.00 173.24 174.77 2kss h GLN 57 N 7.68 0.00 0.00 4.02 4.15 -1.97 -3.07 115.11 125.92 2kss h GLN 57 Ca -0.39 0.00 -0.14 0.00 0.77 0.00 0.00 58.65 58.90 2kss h GLN 57 Cb 1.17 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.84 2kss h GLN 57 CO 0.60 0.00 -0.64 -0.09 -1.93 0.00 0.00 178.83 176.77 2kss h ARG 58 N 0.00 0.00 -0.32 1.69 2.43 -2.00 -3.09 114.38 113.09 2kss h ARG 58 Ca 0.00 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 2kss h ARG 58 Cb 0.99 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.51 2kss h ARG 58 CO 0.00 0.64 0.01 1.19 -1.51 0.00 0.00 179.97 180.30 2kss n PHE 59 N -3.57 1.09 -1.57 2.20 3.72 -1.24 -4.91 117.46 113.19 2kss n PHE 59 Ca -0.00 -1.03 -0.29 0.00 -0.05 0.00 0.00 57.45 56.07 2kss n PHE 59 Cb 0.68 -0.38 -0.04 0.00 -0.94 0.00 0.00 39.48 38.80 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 -2.92 3.25 0.00 4.37 2.96 -1.16 -0.08 118.68 125.09 2kss s LEU 60 Ca 0.44 0.77 0.00 0.00 -0.22 0.00 0.00 54.13 55.12 2kss s LEU 60 Cb 0.36 -2.52 0.00 0.00 0.50 0.00 0.00 46.19 44.54 2kss s LEU 60 CO 0.08 -3.18 0.00 0.61 -1.32 0.00 0.00 176.35 172.53 2kss n GLY 61 N 6.24 0.69 4.01 7.98 0.00 -1.22 -4.98 105.19 117.91 2kss n GLY 61 Ca 0.40 -0.73 -0.22 0.00 0.00 0.00 0.00 46.02 45.47 2kss n GLY 61 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kss s GLN 62 N -2.78 1.97 -0.11 1.61 1.11 0.89 -4.97 119.66 117.38 2kss s GLN 62 Ca 0.00 -1.29 -0.05 0.00 0.01 0.00 0.00 55.36 54.03 2kss s GLN 62 Cb 0.00 -2.46 0.05 0.00 -1.01 0.00 0.00 33.01 29.59 2kss s GLN 62 CO 0.00 -1.17 0.23 0.99 0.01 0.00 0.00 175.29 175.35 2kss s THR 63 N -2.93 -0.25 0.09 -0.19 2.01 -1.26 -2.43 115.64 110.68 2kss s THR 63 Ca 0.64 0.25 0.02 0.00 0.31 0.00 0.00 61.69 62.91 2kss s THR 63 Cb -0.06 -0.39 -0.01 0.00 0.01 0.00 0.00 72.50 72.06 2kss s THR 63 CO 0.42 0.10 0.08 0.61 -0.69 0.00 0.00 174.62 175.14 2kss n GLY 64 N 4.93 3.67 3.49 4.40 0.00 -1.05 -4.62 105.19 116.01 2kss n GLY 64 Ca -0.13 -1.70 -0.26 0.00 0.00 0.00 0.00 46.02 43.93 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 -2.37 2.72 -0.41 -0.61 1.01 -1.07 -1.51 121.20 118.96 2kss s ILE 65 Ca 0.10 -1.96 -0.25 0.00 0.00 0.00 0.00 60.65 58.55 2kss s ILE 65 Cb 0.00 -2.35 0.02 0.00 0.01 0.00 0.00 42.46 40.15 2kss s ILE 65 CO 0.07 -0.17 0.88 -0.69 0.00 0.00 0.00 174.94 175.03 2kss s VAL 66 N -1.85 4.59 0.16 2.92 1.01 -1.08 -2.15 120.40 123.99 2kss s VAL 66 Ca 0.24 0.88 0.05 0.00 0.00 0.00 0.00 61.98 63.16 2kss s VAL 66 Cb -0.08 -4.34 -0.16 0.00 0.00 0.00 0.00 36.38 31.80 2kss s VAL 66 CO 0.13 -0.64 1.36 0.58 0.00 0.00 0.00 175.10 176.54 2kss h VAL 67 N 5.91 1.58 -3.95 2.92 2.07 -1.68 -3.25 116.25 119.85 2kss h VAL 67 Ca -0.24 -2.89 -0.32 0.00 0.82 0.00 0.00 66.70 64.07 2kss h VAL 67 Cb 1.08 2.60 -0.25 0.00 -1.52 0.00 0.00 31.29 33.20 2kss h VAL 67 CO 0.98 0.83 -0.75 -0.83 0.02 0.00 0.00 177.57 177.82 2kss s GLY 68 N -4.59 0.41 0.22 2.17 0.00 -1.26 -4.96 107.32 99.31 2kss s GLY 68 Ca -0.01 -0.49 0.06 0.00 0.00 0.00 0.00 44.72 44.28 2kss s GLY 68 CO 0.82 -0.49 0.17 -2.27 0.00 0.00 0.00 173.10 171.33 2kss s LEU 69 N -0.77 3.79 -0.55 0.66 0.20 -1.26 -3.29 118.68 117.46 2kss s LEU 69 Ca -0.02 -0.22 -0.22 0.00 0.69 0.00 0.00 54.13 54.35 2kss s LEU 69 Cb -0.06 -2.35 0.05 0.00 -0.43 0.00 0.00 46.19 43.41 2kss s LEU 69 CO 0.00 -0.00 0.83 0.68 -0.29 0.00 0.00 176.35 177.57 2kss s VAL 70 N -2.01 4.56 0.24 1.68 -7.23 -1.26 -4.42 120.40 111.96 2kss s VAL 70 Ca 0.32 -0.11 0.01 0.00 -1.81 0.00 0.00 61.98 60.39 2kss s VAL 70 Cb -0.09 -4.47 -0.05 0.00 0.56 0.00 0.00 36.38 32.33 2kss s VAL 70 CO 0.24 -1.05 0.09 -0.36 -0.31 0.00 0.00 175.10 173.71 2kss s PHE 71 N 3.46 1.48 -0.63 2.82 0.08 -1.26 -4.78 117.98 119.16 2kss s PHE 71 Ca 0.23 -1.17 -0.38 0.00 0.12 0.00 0.00 56.93 55.73 2kss s PHE 71 Cb -0.16 -0.86 -0.18 0.00 -0.57 0.00 0.00 43.02 41.25 2kss s PHE 71 CO 0.15 -0.33 2.33 -0.25 -0.10 0.00 0.00 175.22 177.01 2kss n ASP 72 N -0.43 0.88 -4.62 1.36 10.43 -1.26 -4.83 116.55 118.07 2kss n ASP 72 Ca -0.01 0.44 -0.42 0.00 2.57 0.00 0.00 54.79 57.38 2kss n ASP 72 Cb 0.66 -0.99 -0.04 0.00 1.84 0.00 0.00 41.12 42.59 2kss n ASP 72 CO 0.00 0.00 0.00 1.51 -1.07 0.00 0.00 177.20 177.64 2kss s ASP 73 N 7.35 6.73 0.24 -2.24 -4.77 -1.26 -4.70 116.67 118.01 2kss s ASP 73 Ca 1.22 0.80 0.00 0.00 -3.30 0.00 0.00 52.55 51.27 2kss s ASP 73 Cb -1.28 -2.43 0.00 0.00 -1.09 0.00 0.00 42.92 38.12 2kss s ASP 73 CO 0.57 -0.61 0.00 -0.81 0.70 0.00 0.00 175.17 175.01 2kss n PRO 74 N 6.22 0.65 0.00 2.11 -0.04 -1.26 -4.74 135.00 137.93 2kss n PRO 74 Ca 0.05 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.63 2kss n PRO 74 Cb 0.48 0.00 0.67 0.00 -0.04 0.00 0.00 33.50 34.61 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 2.32 -0.30 0.55 0.00 -1.26 -2.21 120.51 116.61 2kss n ALA 75 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2kss n ALA 75 Cb 0.00 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.06 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 -1.14 0.49 -1.52 0.00 5.66 -1.26 -5.12 114.28 111.39 2kss n THR 76 Ca 0.15 -0.59 0.08 0.00 -3.05 0.00 0.00 64.05 60.64 2kss n THR 76 Cb 0.13 0.85 -0.04 0.00 -1.55 0.00 0.00 70.33 69.72 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 -0.24 -3.68 -3.50 1.09 6.02 -0.94 -5.04 117.38 111.09 2kss n GLN 77 Ca 0.00 2.93 -0.12 0.00 -0.01 0.00 0.00 57.00 59.80 2kss n GLN 77 Cb 0.25 -3.90 -0.03 0.00 1.02 0.00 0.00 30.24 27.58 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 -4.95 -0.45 -0.07 1.08 6.14 -1.26 -4.65 117.35 113.20 2kss s TYR 78 Ca 0.00 0.51 -0.14 0.00 0.64 0.00 0.00 57.07 58.08 2kss s TYR 78 Cb 0.00 0.50 -0.09 0.00 0.42 0.00 0.00 41.96 42.78 2kss s TYR 78 CO 0.00 -0.58 0.54 -1.00 0.64 0.00 0.00 175.55 175.15 2kss h PRO 79 N 2.32 -0.25 0.00 4.97 0.13 -1.92 -3.41 132.00 133.83 2kss h PRO 79 Ca -0.25 0.02 -0.07 0.00 -0.87 0.00 0.00 66.00 64.83 2kss h PRO 79 Cb 1.22 0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 2kss h PRO 79 CO 0.34 0.01 -1.33 -3.47 -0.23 0.00 0.00 178.00 173.31 2kss n ASP 80 N -4.94 3.72 -4.27 1.44 2.03 -1.26 -5.05 116.55 108.22 2kss n ASP 80 Ca -0.05 0.00 -0.15 0.00 0.52 0.00 0.00 54.79 55.11 2kss n ASP 80 Cb 0.19 0.78 -0.10 0.00 -0.72 0.00 0.00 41.12 41.27 2kss n ASP 80 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 2kss s ASP 81 N -3.40 1.89 -0.07 1.67 1.11 -1.26 -5.07 116.67 111.53 2kss s ASP 81 Ca -0.02 -1.03 -0.27 0.00 0.18 0.00 0.00 52.55 51.41 2kss s ASP 81 Cb 0.02 -0.02 -0.23 0.00 1.07 0.00 0.00 42.92 43.76 2kss s ASP 81 CO 0.22 -0.32 1.03 1.55 1.18 0.00 0.00 175.17 178.82 2kss h PRO 82 N 2.73 0.05 -6.20 8.23 0.13 -1.90 -3.38 132.00 131.66 2kss h PRO 82 Ca -0.37 -0.05 -0.53 0.00 -0.87 0.00 0.00 66.00 64.18 2kss h PRO 82 Cb 1.20 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 2kss h PRO 82 CO 0.63 0.79 -0.27 -0.48 -0.23 0.00 0.00 178.00 178.44 2kss s LEU 83 N -8.68 3.03 0.38 1.56 2.34 -1.26 -4.36 118.68 111.68 2kss s LEU 83 Ca -0.17 -0.97 -0.25 0.00 0.06 0.00 0.00 54.13 52.80 2kss s LEU 83 Cb -0.00 -1.60 -0.09 0.00 -0.56 0.00 0.00 46.19 43.94 2kss s LEU 83 CO 0.70 -1.03 1.05 0.27 -1.06 0.00 0.00 176.35 176.28 2kss s ILE 84 N -2.65 3.72 -0.04 1.48 -4.36 -1.26 -4.66 121.20 113.44 2kss s ILE 84 Ca 0.46 1.38 0.01 0.00 -0.26 0.00 0.00 60.65 62.24 2kss s ILE 84 Cb -0.04 -3.74 0.02 0.00 1.25 0.00 0.00 42.46 39.95 2kss s ILE 84 CO 0.28 0.07 -0.06 0.00 0.24 0.00 0.00 174.94 175.47 2kss s GLN 85 N -2.32 0.84 0.03 0.37 -2.07 -1.21 -1.58 119.66 113.72 2kss s GLN 85 Ca 0.55 -0.16 0.00 0.00 -1.82 0.00 0.00 55.36 53.94 2kss s GLN 85 Cb -0.23 -0.81 -0.04 0.00 -1.09 0.00 0.00 33.01 30.83 2kss s GLN 85 CO 0.29 -0.02 0.13 0.08 -1.32 0.00 0.00 175.29 174.45 2kss s VAL 86 N 0.66 4.96 -0.04 3.63 1.01 -0.05 -1.61 120.40 128.96 2kss s VAL 86 Ca -0.09 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.46 2kss s VAL 86 Cb -0.12 -3.34 0.02 0.00 0.00 0.00 0.00 36.38 32.93 2kss s VAL 86 CO 0.00 0.25 -0.05 -0.22 0.00 0.00 0.00 175.10 175.08 2kss s LEU 87 N -2.10 1.49 0.11 3.92 0.20 -0.91 -1.84 118.68 119.55 2kss s LEU 87 Ca 0.28 -0.13 0.03 0.00 0.69 0.00 0.00 54.13 55.00 2kss s LEU 87 Cb -0.12 -0.43 -0.04 0.00 -0.43 0.00 0.00 46.19 45.17 2kss s LEU 87 CO 0.20 -0.02 0.18 -0.69 -0.29 0.00 0.00 176.35 175.73 2kss s VAL 88 N 0.67 4.94 0.01 1.68 1.01 -1.06 -2.58 120.40 125.06 2kss s VAL 88 Ca -0.09 -0.73 -0.30 0.00 0.00 0.00 0.00 61.98 60.86 2kss s VAL 88 Cb -0.12 -3.46 -0.05 0.00 0.00 0.00 0.00 36.38 32.74 2kss s VAL 88 CO 0.00 0.02 1.34 -1.61 0.00 0.00 0.00 175.10 174.84 2kss s GLU 89 N -2.81 4.32 0.00 2.72 2.02 -1.26 -2.09 118.70 121.59 2kss s GLU 89 Ca 0.32 1.90 0.00 0.00 0.02 0.00 0.00 54.97 57.21 2kss s GLU 89 Cb -0.12 -3.50 0.00 0.00 0.10 0.00 0.00 34.13 30.61 2kss s GLU 89 CO 0.25 -0.50 0.00 0.41 0.02 0.00 0.00 175.26 175.45 2kss n GLY 90 N 3.52 0.59 0.00 -1.39 0.00 -1.26 -4.97 105.19 101.68 2kss n GLY 90 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.89 -5.17 117.00 116.25 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 0.05 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.85 2kss n LEU 91 CO 0.00 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 176.78 2kss n GLY 92 N 4.71 1.72 2.91 -0.72 0.00 -1.26 -4.69 105.19 107.86 2kss n GLY 92 Ca 0.00 -1.97 -0.13 0.00 0.00 0.00 0.00 46.02 43.92 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 2.98 0.06 0.23 1.61 -1.05 -1.26 -2.58 118.70 118.69 2kss s GLU 93 Ca 0.00 0.18 0.03 0.00 -0.15 0.00 0.00 54.97 55.03 2kss s GLU 93 Cb 0.00 -0.06 -0.05 0.00 -0.44 0.00 0.00 34.13 33.57 2kss s GLU 93 CO 0.00 -0.08 0.03 0.34 0.95 0.00 0.00 175.26 176.50 2kss s ASP 94 N 0.50 1.59 -0.17 0.83 2.15 -0.76 -4.98 116.67 115.83 2kss s ASP 94 Ca -0.04 -1.26 -0.08 0.00 0.43 0.00 0.00 52.55 51.60 2kss s ASP 94 Cb -0.05 0.06 -0.04 0.00 -0.30 0.00 0.00 42.92 42.58 2kss s ASP 94 CO -0.02 -0.58 0.10 -0.76 -0.17 0.00 0.00 175.17 173.74 2kss s LEU 95 N -3.29 4.09 0.34 -1.34 1.43 -1.26 -0.88 118.68 117.77 2kss s LEU 95 Ca 0.30 0.23 0.04 0.00 -1.03 0.00 0.00 54.13 53.67 2kss s LEU 95 Cb 0.06 -2.03 -0.06 0.00 0.03 0.00 0.00 46.19 44.19 2kss s LEU 95 CO 0.09 0.24 0.05 -0.36 0.23 0.00 0.00 176.35 176.61 2kss s PHE 96 N -0.00 2.04 0.39 0.29 0.08 -0.62 -4.97 117.98 115.18 2kss s PHE 96 Ca 0.08 -0.93 -0.01 0.00 0.12 0.00 0.00 56.93 56.19 2kss s PHE 96 Cb -0.12 -1.36 -0.03 0.00 -0.57 0.00 0.00 43.02 40.94 2kss s PHE 96 CO 0.00 0.06 0.62 -0.06 -0.10 0.00 0.00 175.22 175.74 2kss s PHE 97 N -3.20 3.52 0.09 0.36 0.40 -1.26 -4.06 117.98 113.83 2kss s PHE 97 Ca 0.35 0.49 0.16 0.00 -0.60 0.00 0.00 56.93 57.33 2kss s PHE 97 Cb 0.09 -2.02 0.38 0.00 0.51 0.00 0.00 43.02 41.98 2kss s PHE 97 CO 0.16 -0.00 1.59 -1.00 0.70 0.00 0.00 175.22 176.67 2kss h PRO 98 N 0.59 0.00 0.00 0.24 0.13 -1.96 -3.01 132.00 127.99 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 0.61 0.51 -0.91 -1.91 -0.23 0.00 0.00 178.00 176.07 2kss n GLU 99 N -3.46 0.06 0.09 0.86 4.07 -1.26 -4.46 120.64 116.54 2kss n GLU 99 Ca 0.00 -0.01 -0.04 0.00 -0.06 0.00 0.00 57.16 57.06 2kss n GLU 99 Cb 0.63 -1.51 -0.02 0.00 -0.06 0.00 0.00 31.44 30.48 2kss n GLU 99 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 2kss h GLU 100 N 0.00 -0.24 -6.26 5.31 5.08 -1.92 -3.46 114.58 113.09 2kss h GLU 100 Ca 0.00 0.02 -0.51 0.00 -1.00 0.00 0.00 59.36 57.87 2kss h GLU 100 Cb 0.55 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 2kss h GLU 100 CO 0.00 -0.16 -0.34 -0.48 -1.00 0.00 0.00 179.01 177.03 2kss s LEU 101 N -5.92 4.22 0.39 1.33 0.05 -1.21 -4.75 118.68 112.79 2kss s LEU 101 Ca -0.04 0.31 0.08 0.00 0.05 0.00 0.00 54.13 54.53 2kss s LEU 101 Cb 0.00 -3.10 -0.03 0.00 -2.05 0.00 0.00 46.19 41.01 2kss s LEU 101 CO 0.11 -0.09 0.30 -1.83 -0.55 0.00 0.00 176.35 174.29 2kss s GLU 102 N -3.67 2.50 0.03 1.48 -1.05 -1.26 -4.81 118.70 111.91 2kss s GLU 102 Ca 0.37 -1.54 -0.30 0.00 -0.15 0.00 0.00 54.97 53.35 2kss s GLU 102 Cb -0.10 -2.30 -0.04 0.00 -0.44 0.00 0.00 34.13 31.24 2kss s GLU 102 CO 0.30 -0.09 1.05 -1.17 0.95 0.00 0.00 175.26 176.30 2kss s LEU 103 N -4.03 4.38 0.77 1.83 2.96 -1.26 -3.50 118.68 119.83 2kss s LEU 103 Ca 0.44 1.78 -0.15 0.00 -0.22 0.00 0.00 54.13 55.99 2kss s LEU 103 Cb -0.02 -3.57 0.04 0.00 0.50 0.00 0.00 46.19 43.13 2kss s LEU 103 CO 0.26 -0.31 1.03 0.00 -1.32 0.00 0.00 176.35 176.00 2kss n ALA 104 N 3.83 -0.30 0.02 5.97 0.00 -1.22 -4.92 120.51 123.89 2kss n ALA 104 Ca 0.07 -0.27 -0.10 0.00 0.00 0.00 0.00 53.44 53.14 2kss n ALA 104 Cb 0.49 -2.15 -0.07 0.00 0.00 0.00 0.00 19.45 17.72 2kss n ALA 104 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2kss h PRO 105 N -0.59 -0.15 -0.00 0.00 0.13 -1.94 -3.49 132.00 125.95 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 1.32 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.48 2kss h PRO 105 CO 0.46 0.31 0.00 -1.91 -0.23 0.00 0.00 178.00 176.62