#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 0.05 -0.14 2.02 1.10 -1.26 -5.15 121.20 117.83 2kss s ILE 22 Ca 0.00 -0.42 -0.01 0.00 -0.51 0.00 0.00 60.65 59.71 2kss s ILE 22 Cb 0.00 -0.49 0.04 0.00 0.15 0.00 0.00 42.46 42.16 2kss s ILE 22 CO 0.00 -0.23 -0.02 -1.58 -2.11 0.00 0.00 174.94 171.00 2kss s GLN 23 N -0.94 1.03 -0.65 3.50 2.00 -1.26 -5.07 119.66 118.27 2kss s GLN 23 Ca -0.10 -0.29 0.05 0.00 -2.00 0.00 0.00 55.36 53.02 2kss s GLN 23 Cb -0.05 -1.69 0.16 0.00 0.80 0.00 0.00 33.01 32.23 2kss s GLN 23 CO 0.02 -0.43 0.44 -0.51 -0.50 0.00 0.00 175.29 174.31 2kss s ASP 24 N 1.79 4.50 0.44 6.67 1.01 -1.26 -5.09 116.67 124.74 2kss s ASP 24 Ca 0.02 -3.62 -0.22 0.00 0.71 0.00 0.00 52.55 49.44 2kss s ASP 24 Cb -0.14 -1.55 -0.09 0.00 1.01 0.00 0.00 42.92 42.15 2kss s ASP 24 CO -0.07 -0.12 1.05 -2.16 0.21 0.00 0.00 175.17 174.07 2kss s PRO 25 N -1.11 3.97 -0.11 8.23 0.04 -1.26 -4.99 135.00 139.78 2kss s PRO 25 Ca 0.24 1.44 -0.06 0.00 0.04 0.00 0.00 61.00 62.65 2kss s PRO 25 Cb -0.08 -2.31 -0.05 0.00 0.04 0.00 0.00 34.50 32.10 2kss s PRO 25 CO -0.13 -0.30 -0.16 0.45 0.04 0.00 0.00 177.00 176.90 2kss n SER 26 N -0.53 0.96 -4.51 6.66 2.88 -1.26 -4.95 113.62 112.87 2kss n SER 26 Ca 0.07 0.16 -0.41 0.00 -1.33 0.00 0.00 58.87 57.37 2kss n SER 26 Cb 0.51 -0.38 -0.11 0.00 -0.75 0.00 0.00 64.21 63.48 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 -6.78 4.59 0.40 2.46 1.43 -1.26 -5.07 118.68 114.46 2kss s LEU 27 Ca -0.16 -0.52 -0.21 0.00 -1.03 0.00 0.00 54.13 52.20 2kss s LEU 27 Cb 0.06 -2.13 -0.11 0.00 0.03 0.00 0.00 46.19 44.04 2kss s LEU 27 CO 0.21 -0.27 0.93 -0.51 0.23 0.00 0.00 176.35 176.94 2kss s ILE 28 N 1.70 4.39 0.05 -0.59 1.10 -1.26 -5.07 121.20 121.52 2kss s ILE 28 Ca 0.06 1.50 -0.02 0.00 -0.51 0.00 0.00 60.65 61.68 2kss s ILE 28 Cb -0.18 -3.68 -0.04 0.00 0.15 0.00 0.00 42.46 38.72 2kss s ILE 28 CO 0.10 -0.21 -0.01 0.27 -2.11 0.00 0.00 174.94 172.98 2kss s ILE 29 N -2.05 0.21 0.29 2.00 -5.25 -1.26 -5.17 121.20 109.97 2kss s ILE 29 Ca 0.59 -1.71 0.02 0.00 -0.99 0.00 0.00 60.65 58.56 2kss s ILE 29 Cb -0.11 -1.45 -0.04 0.00 2.95 0.00 0.00 42.46 43.81 2kss s ILE 29 CO 0.15 -0.95 0.14 0.00 -1.79 0.00 0.00 174.94 172.49 2kss s HIS 31 N -3.66 1.22 -0.07 0.00 3.76 -1.26 -5.15 115.29 110.14 2kss s HIS 31 Ca 0.36 -1.37 -0.13 0.00 -0.15 0.00 0.00 55.06 53.78 2kss s HIS 31 Cb 0.06 -0.36 -0.05 0.00 1.11 0.00 0.00 32.58 33.34 2kss s HIS 31 CO 0.16 -0.92 0.32 0.34 -0.85 0.00 0.00 174.74 173.78 2kss s ASP 32 N -3.24 6.62 -0.13 1.40 -1.08 -1.26 -5.08 116.67 113.91 2kss s ASP 32 Ca 0.35 0.74 -0.03 0.00 -0.52 0.00 0.00 52.55 53.08 2kss s ASP 32 Cb 0.02 -2.19 -0.03 0.00 -1.46 0.00 0.00 42.92 39.26 2kss s ASP 32 CO 0.19 0.29 -0.00 -0.69 0.52 0.00 0.00 175.17 175.48 2kss s VAL 33 N -0.70 4.24 0.15 1.11 1.01 -1.26 -5.07 120.40 119.88 2kss s VAL 33 Ca 0.20 -0.25 -0.31 0.00 0.00 0.00 0.00 61.98 61.61 2kss s VAL 33 Cb -0.15 -2.83 -0.09 0.00 0.00 0.00 0.00 36.38 33.31 2kss s VAL 33 CO 0.09 0.54 1.50 -1.81 0.00 0.00 0.00 175.10 175.42 2kss s ASP 34 N -0.24 6.68 0.00 3.32 1.01 -1.26 -3.06 116.67 123.12 2kss s ASP 34 Ca 0.05 2.51 0.00 0.00 0.71 0.00 0.00 52.55 55.82 2kss s ASP 34 Cb -0.12 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.21 2kss s ASP 34 CO 0.02 -0.76 0.00 0.61 0.21 0.00 0.00 175.17 175.25 2kss n GLY 35 N 3.62 1.69 3.26 0.21 0.00 -1.26 -5.11 105.19 107.60 2kss n GLY 35 Ca 0.13 -0.31 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 2kss n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kss n ALA 36 N 0.00 -3.78 -0.03 4.61 0.00 -1.17 -4.93 120.51 115.21 2kss n ALA 36 Ca 0.00 -0.78 -0.13 0.00 0.00 0.00 0.00 53.44 52.54 2kss n ALA 36 Cb 0.00 -1.53 -0.10 0.00 0.00 0.00 0.00 19.45 17.82 2kss n ALA 36 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2kss h PRO 37 N -1.46 -0.04 -5.00 0.00 0.13 -1.93 -3.48 132.00 120.22 2kss h PRO 37 Ca -0.45 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.16 2kss h PRO 37 Cb 1.31 0.01 -0.13 0.00 0.13 0.00 0.00 31.00 32.31 2kss h PRO 37 CO 0.31 0.64 -0.52 0.14 -0.23 0.00 0.00 178.00 178.35 2kss s VAL 38 N -3.12 0.47 0.22 1.56 -7.23 -1.26 -4.98 120.40 106.06 2kss s VAL 38 Ca -0.16 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.06 2kss s VAL 38 Cb -0.01 -2.40 -0.03 0.00 0.56 0.00 0.00 36.38 34.50 2kss s VAL 38 CO 0.62 0.00 0.27 -0.60 -0.31 0.00 0.00 175.10 175.08 2kss s ARG 39 N -3.69 3.19 0.34 4.82 3.52 -1.26 -4.97 118.95 120.91 2kss s ARG 39 Ca 0.28 -0.86 -0.29 0.00 -0.13 0.00 0.00 55.73 54.74 2kss s ARG 39 Cb 0.03 -2.75 -0.11 0.00 -1.56 0.00 0.00 34.95 30.56 2kss s ARG 39 CO 0.17 0.44 1.39 0.42 -0.81 0.00 0.00 175.30 176.91 2kss s ILE 40 N -1.98 2.45 -0.15 4.11 -1.09 -1.26 -1.54 121.20 121.73 2kss s ILE 40 Ca 0.33 0.44 0.00 0.00 -2.23 0.00 0.00 60.65 59.20 2kss s ILE 40 Cb -0.09 -3.28 0.00 0.00 -1.58 0.00 0.00 42.46 37.51 2kss s ILE 40 CO 0.27 0.10 0.00 0.61 -1.23 0.00 0.00 174.94 174.69 2kss n GLY 41 N 0.77 0.38 3.73 6.18 0.00 -1.22 -4.96 105.19 110.07 2kss n GLY 41 Ca 0.01 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.62 3.32 -0.48 4.61 0.00 -0.59 -4.83 121.76 122.17 2kss s ALA 42 Ca 0.00 0.72 -0.20 0.00 0.00 0.00 0.00 51.96 52.48 2kss s ALA 42 Cb 0.00 -3.34 0.04 0.00 0.00 0.00 0.00 23.12 19.82 2kss s ALA 42 CO 0.00 -0.18 0.63 0.21 0.00 0.00 0.00 175.76 176.42 2kss s LYS 43 N 0.04 3.17 0.44 0.00 2.20 -1.26 -2.54 119.74 121.80 2kss s LYS 43 Ca 0.50 -0.70 0.08 0.00 -0.36 0.00 0.00 55.97 55.49 2kss s LYS 43 Cb -0.27 -4.04 -0.00 0.00 -1.51 0.00 0.00 37.83 32.01 2kss s LYS 43 CO 0.32 -1.14 0.42 0.14 -0.36 0.00 0.00 175.35 174.73 2kss s VAL 44 N 2.70 2.50 -0.18 4.02 -7.23 -0.54 -3.88 120.40 117.79 2kss s VAL 44 Ca 0.18 -1.32 0.01 0.00 -1.81 0.00 0.00 61.98 59.03 2kss s VAL 44 Cb -0.17 -2.82 0.02 0.00 0.56 0.00 0.00 36.38 33.96 2kss s VAL 44 CO 0.14 0.00 -0.19 -0.75 -0.31 0.00 0.00 175.10 174.00 2kss s LYS 45 N -4.20 3.01 0.01 4.82 2.20 -1.19 -2.56 119.74 121.83 2kss s LYS 45 Ca 0.47 -0.82 -0.30 0.00 -0.36 0.00 0.00 55.97 54.96 2kss s LYS 45 Cb -0.03 -2.61 -0.07 0.00 -1.51 0.00 0.00 37.83 33.60 2kss s LYS 45 CO 0.28 -0.22 1.65 0.08 -0.36 0.00 0.00 175.35 176.78 2kss s VAL 46 N 1.30 3.31 0.17 4.02 1.01 -1.15 -3.94 120.40 125.13 2kss s VAL 46 Ca 0.05 0.60 -0.32 0.00 0.00 0.00 0.00 61.98 62.31 2kss s VAL 46 Cb -0.13 -3.39 -0.11 0.00 0.00 0.00 0.00 36.38 32.75 2kss s VAL 46 CO -0.12 -0.02 1.73 0.54 0.00 0.00 0.00 175.10 177.23 2kss s VAL 47 N 3.27 2.27 -0.03 2.92 0.11 -1.26 -3.84 120.40 123.83 2kss s VAL 47 Ca 0.74 0.09 0.22 0.00 -2.93 0.00 0.00 61.98 60.10 2kss s VAL 47 Cb -0.37 -3.06 0.21 0.00 -1.53 0.00 0.00 36.38 31.63 2kss s VAL 47 CO 0.31 0.00 1.70 1.55 -3.33 0.00 0.00 175.10 175.33 2kss h PRO 48 N 7.35 0.00 0.00 1.54 0.13 -1.91 -3.43 132.00 135.67 2kss h PRO 48 Ca -0.44 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.34 2kss h PRO 48 Cb 1.21 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.37 2kss h PRO 48 CO 0.95 0.26 0.01 1.58 -0.23 0.00 0.00 178.00 180.56 2kss n HIS 49 N -3.28 -2.71 -3.95 1.56 -0.00 -1.26 -4.84 115.22 100.73 2kss n HIS 49 Ca 0.01 -1.47 -0.34 0.00 0.46 0.00 0.00 57.72 56.38 2kss n HIS 49 Cb 0.52 -0.47 -0.14 0.00 -0.12 0.00 0.00 29.99 29.79 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 -3.83 4.58 -0.25 0.26 0.15 -1.26 -4.95 113.70 108.40 2kss s SER 50 Ca 0.47 -1.13 -0.04 0.00 0.70 0.00 0.00 55.95 55.95 2kss s SER 50 Cb -0.03 -1.67 -0.14 0.00 -1.71 0.00 0.00 66.02 62.47 2kss s SER 50 CO 0.31 -0.20 -0.27 -0.62 1.20 0.00 0.00 173.24 173.66 2kss n GLU 51 N 4.61 0.59 -0.04 5.44 1.02 -1.26 -4.81 120.64 126.20 2kss n GLU 51 Ca -0.15 0.18 -0.03 0.00 -0.02 0.00 0.00 57.16 57.15 2kss n GLU 51 Cb 0.45 -1.47 -0.01 0.00 -0.02 0.00 0.00 31.44 30.39 2kss n GLU 51 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2kss n ASP 52 N -3.59 0.87 0.00 1.62 -0.08 -1.26 -5.06 116.55 109.05 2kss n ASP 52 Ca -0.47 0.34 0.00 0.00 -1.51 0.00 0.00 54.79 53.15 2kss n ASP 52 Cb 0.93 -0.66 0.00 0.00 2.34 0.00 0.00 41.12 43.73 2kss n ASP 52 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2kss n GLY 53 N 1.62 -1.93 3.71 0.27 0.00 -1.26 -5.14 105.19 102.46 2kss n GLY 53 Ca -0.04 0.64 -0.37 0.00 0.00 0.00 0.00 46.02 46.24 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 0.00 4.75 -3.61 2.61 5.66 -1.26 -4.95 114.28 117.48 2kss n THR 54 Ca 0.00 -0.50 -0.07 0.00 -3.05 0.00 0.00 64.05 60.43 2kss n THR 54 Cb 0.00 -1.45 -0.02 0.00 -1.55 0.00 0.00 70.33 67.31 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 -1.40 0.00 -0.17 1.09 1.10 -1.26 -4.81 121.20 115.75 2kss s ILE 55 Ca 0.81 -0.30 -0.04 0.00 -0.51 0.00 0.00 60.65 60.61 2kss s ILE 55 Cb -0.39 -1.44 0.08 0.00 0.15 0.00 0.00 42.46 40.87 2kss s ILE 55 CO 0.41 0.00 0.19 -0.44 -2.11 0.00 0.00 174.94 172.99 2kss s SER 56 N -2.71 1.41 0.46 4.50 0.01 -1.26 -5.01 113.70 111.11 2kss s SER 56 Ca 0.08 -0.17 0.12 0.00 1.31 0.00 0.00 55.95 57.29 2kss s SER 56 Cb -0.01 0.25 1.06 0.00 0.21 0.00 0.00 66.02 67.53 2kss s SER 56 CO -0.04 -0.31 2.09 -0.61 0.41 0.00 0.00 173.24 174.78 2kss h GLN 57 N 8.34 0.24 -0.77 12.44 5.75 -1.97 -1.41 115.11 137.73 2kss h GLN 57 Ca -0.16 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.33 2kss h GLN 57 Cb 1.14 -0.05 -0.04 0.00 1.07 0.00 0.00 27.48 29.60 2kss h GLN 57 CO 0.25 0.18 0.49 -0.09 -2.65 0.00 0.00 178.83 177.01 2kss h ARG 58 N 0.24 1.03 -0.69 1.69 2.43 -2.02 -1.24 114.38 115.82 2kss h ARG 58 Ca 0.06 -0.08 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2kss h ARG 58 Cb 0.01 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 29.34 2kss h ARG 58 CO -0.01 0.70 0.00 1.19 -1.51 0.00 0.00 179.97 180.34 2kss n PHE 59 N -4.52 1.59 -1.74 2.20 3.72 -0.61 -4.89 117.46 113.21 2kss n PHE 59 Ca 0.07 -0.55 -0.43 0.00 -0.05 0.00 0.00 57.45 56.49 2kss n PHE 59 Cb 0.03 -0.42 -0.03 0.00 -0.94 0.00 0.00 39.48 38.13 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 -2.09 3.69 -1.06 4.37 0.20 -0.47 -1.32 118.68 122.00 2kss s LEU 60 Ca 0.41 1.92 -0.04 0.00 0.69 0.00 0.00 54.13 57.11 2kss s LEU 60 Cb 0.32 -3.52 0.00 0.00 -0.43 0.00 0.00 46.19 42.56 2kss s LEU 60 CO 0.12 -1.67 0.54 0.61 -0.29 0.00 0.00 176.35 175.66 2kss n GLY 61 N 5.35 -0.14 1.36 7.98 0.00 -1.25 -4.98 105.19 113.50 2kss n GLY 61 Ca 0.26 -0.11 -0.07 0.00 0.00 0.00 0.00 46.02 46.09 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 -3.22 0.75 -3.63 1.61 -0.06 -0.44 -4.99 117.38 107.41 2kss n GLN 62 Ca -0.06 -1.06 -0.04 0.00 -2.00 0.00 0.00 57.00 53.85 2kss n GLN 62 Cb 0.57 -0.12 -0.06 0.00 -4.06 0.00 0.00 30.24 26.58 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 -0.40 -0.87 0.11 1.69 2.01 -1.26 -2.93 115.64 113.99 2kss s THR 63 Ca 0.22 0.06 0.02 0.00 0.31 0.00 0.00 61.69 62.30 2kss s THR 63 Cb -0.02 -0.88 -0.01 0.00 0.01 0.00 0.00 72.50 71.60 2kss s THR 63 CO 0.14 0.02 0.09 0.61 -0.69 0.00 0.00 174.62 174.79 2kss n GLY 64 N 5.43 3.69 3.53 4.40 0.00 -1.06 -4.52 105.19 116.66 2kss n GLY 64 Ca -0.10 -1.78 -0.24 0.00 0.00 0.00 0.00 46.02 43.89 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 -2.38 2.85 -0.44 -0.61 1.01 -1.14 -1.47 121.20 119.02 2kss s ILE 65 Ca 0.12 -2.13 -0.23 0.00 0.00 0.00 0.00 60.65 58.41 2kss s ILE 65 Cb 0.01 -2.48 0.02 0.00 0.01 0.00 0.00 42.46 40.02 2kss s ILE 65 CO 0.09 -0.33 0.75 -0.69 0.00 0.00 0.00 174.94 174.76 2kss s VAL 66 N -2.27 4.70 0.11 2.92 1.01 -1.05 -2.40 120.40 123.40 2kss s VAL 66 Ca 0.29 0.42 -0.22 0.00 0.00 0.00 0.00 61.98 62.47 2kss s VAL 66 Cb -0.06 -4.28 -0.10 0.00 0.00 0.00 0.00 36.38 31.94 2kss s VAL 66 CO 0.16 -0.65 1.73 0.58 0.00 0.00 0.00 175.10 176.91 2kss h VAL 67 N 5.93 0.92 0.00 2.92 2.07 -1.86 -3.22 116.25 123.00 2kss h VAL 67 Ca -0.25 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.27 2kss h VAL 67 Cb 1.09 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 31.77 2kss h VAL 67 CO 0.94 0.00 0.00 0.61 0.02 0.00 0.00 177.57 179.14 2kss n GLY 68 N -1.13 2.81 3.62 2.17 0.00 -1.26 -4.81 105.19 106.58 2kss n GLY 68 Ca -0.05 -0.46 -0.02 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.11 -0.50 0.99 0.20 -1.26 -4.72 118.68 113.27 2kss s LEU 69 Ca 0.00 -0.10 -0.17 0.00 0.69 0.00 0.00 54.13 54.55 2kss s LEU 69 Cb 0.00 1.48 0.08 0.00 -0.43 0.00 0.00 46.19 47.32 2kss s LEU 69 CO 0.00 -0.34 0.50 0.68 -0.29 0.00 0.00 176.35 176.90 2kss s VAL 70 N -2.53 5.09 0.23 1.68 -7.23 -1.26 -4.45 120.40 111.93 2kss s VAL 70 Ca 0.12 -0.95 0.01 0.00 -1.81 0.00 0.00 61.98 59.35 2kss s VAL 70 Cb 0.02 -4.23 -0.05 0.00 0.56 0.00 0.00 36.38 32.68 2kss s VAL 70 CO -0.04 -0.73 0.08 -0.36 -0.31 0.00 0.00 175.10 173.75 2kss s PHE 71 N 2.01 1.40 -0.64 2.82 0.08 -1.26 -4.76 117.98 117.63 2kss s PHE 71 Ca 0.08 -1.18 -0.38 0.00 0.12 0.00 0.00 56.93 55.57 2kss s PHE 71 Cb -0.24 -0.80 -0.18 0.00 -0.57 0.00 0.00 43.02 41.23 2kss s PHE 71 CO 0.08 -0.36 2.34 -3.47 -0.10 0.00 0.00 175.22 173.71 2kss n ASP 72 N -0.38 0.89 -4.62 1.36 2.03 -1.26 -4.80 116.55 109.76 2kss n ASP 72 Ca -0.01 0.42 -0.43 0.00 0.52 0.00 0.00 54.79 55.29 2kss n ASP 72 Cb 0.66 -1.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.04 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 7.48 6.61 0.52 1.67 -4.77 -1.26 -4.72 116.67 122.20 2kss s ASP 73 Ca 1.23 1.11 0.00 0.00 -3.30 0.00 0.00 52.55 51.58 2kss s ASP 73 Cb -1.26 -2.54 0.00 0.00 -1.09 0.00 0.00 42.92 38.03 2kss s ASP 73 CO 0.56 -1.15 0.00 -0.81 0.70 0.00 0.00 175.17 174.47 2kss n PRO 74 N 7.47 0.21 0.00 2.11 -0.04 -1.26 -4.81 135.00 138.67 2kss n PRO 74 Ca 0.15 0.00 0.15 0.00 -0.04 0.00 0.00 63.50 63.76 2kss n PRO 74 Cb 0.47 0.00 0.82 0.00 -0.04 0.00 0.00 33.50 34.75 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 2.54 -0.56 0.55 0.00 -1.26 -2.70 120.51 116.08 2kss n ALA 75 Ca 0.00 -0.16 0.01 0.00 0.00 0.00 0.00 53.44 53.29 2kss n ALA 75 Cb 0.00 -1.49 0.01 0.00 0.00 0.00 0.00 19.45 17.98 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 -1.15 0.69 -1.62 0.00 5.66 -1.26 -5.12 114.28 111.49 2kss n THR 76 Ca 0.18 -0.73 0.00 0.00 -3.05 0.00 0.00 64.05 60.45 2kss n THR 76 Cb 0.17 0.59 0.00 0.00 -1.55 0.00 0.00 70.33 69.55 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 -0.40 -4.28 -3.51 1.09 6.02 -1.10 -5.05 117.38 110.16 2kss n GLN 77 Ca 0.02 3.31 -0.12 0.00 -0.01 0.00 0.00 57.00 60.19 2kss n GLN 77 Cb 0.40 -4.11 -0.04 0.00 1.02 0.00 0.00 30.24 27.51 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 -5.32 -0.48 -0.06 1.08 6.14 -1.26 -4.69 117.35 112.75 2kss s TYR 78 Ca 0.00 0.61 -0.11 0.00 0.64 0.00 0.00 57.07 58.21 2kss s TYR 78 Cb 0.00 0.48 -0.07 0.00 0.42 0.00 0.00 41.96 42.79 2kss s TYR 78 CO 0.00 -0.57 0.44 -1.00 0.64 0.00 0.00 175.55 175.06 2kss h PRO 79 N 2.44 -0.30 0.00 4.97 0.13 -1.92 -3.41 132.00 133.91 2kss h PRO 79 Ca -0.25 0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.88 2kss h PRO 79 Cb 1.20 0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.40 2kss h PRO 79 CO 0.35 -0.13 -1.08 -0.25 -0.23 0.00 0.00 178.00 176.66 2kss n ASP 80 N -4.98 4.71 -4.43 1.44 9.92 -1.26 -5.05 116.55 116.90 2kss n ASP 80 Ca -0.05 0.00 -0.26 0.00 -0.53 0.00 0.00 54.79 53.95 2kss n ASP 80 Cb 0.15 0.60 -0.11 0.00 -0.64 0.00 0.00 41.12 41.12 2kss n ASP 80 CO 0.00 0.00 0.00 1.51 0.13 0.00 0.00 177.20 178.84 2kss s ASP 81 N -3.02 3.45 0.11 -2.24 3.84 -1.26 -5.05 116.67 112.51 2kss s ASP 81 Ca -0.01 -0.91 -0.09 0.00 -0.00 0.00 0.00 52.55 51.54 2kss s ASP 81 Cb 0.00 -0.26 -0.14 0.00 -1.38 0.00 0.00 42.92 41.14 2kss s ASP 81 CO 0.05 0.10 1.28 1.55 -0.00 0.00 0.00 175.17 178.14 2kss h PRO 82 N 2.97 0.61 -5.15 2.11 0.13 -1.88 -3.39 132.00 127.40 2kss h PRO 82 Ca -0.45 -0.60 -0.57 0.00 -0.87 0.00 0.00 66.00 63.52 2kss h PRO 82 Cb 1.22 0.16 -0.13 0.00 0.13 0.00 0.00 31.00 32.37 2kss h PRO 82 CO 0.51 1.21 -0.54 -1.17 -0.23 0.00 0.00 178.00 177.78 2kss s LEU 83 N -8.06 2.15 0.37 1.56 2.96 -1.26 -4.63 118.68 111.76 2kss s LEU 83 Ca -0.08 -1.59 -0.25 0.00 -0.22 0.00 0.00 54.13 51.98 2kss s LEU 83 Cb 0.08 -0.34 -0.09 0.00 0.50 0.00 0.00 46.19 46.34 2kss s LEU 83 CO 0.89 -0.82 1.06 0.27 -1.32 0.00 0.00 176.35 176.44 2kss s ILE 84 N -3.13 3.65 -0.01 6.68 -4.36 -1.26 -4.54 121.20 118.23 2kss s ILE 84 Ca 0.23 1.37 0.01 0.00 -0.26 0.00 0.00 60.65 62.00 2kss s ILE 84 Cb 0.04 -3.76 0.01 0.00 1.25 0.00 0.00 42.46 40.00 2kss s ILE 84 CO 0.12 0.11 -0.02 0.00 0.24 0.00 0.00 174.94 175.39 2kss s GLN 85 N -2.21 0.25 -0.12 0.37 -2.07 -1.26 -2.44 119.66 112.18 2kss s GLN 85 Ca 0.54 -0.04 -0.03 0.00 -1.82 0.00 0.00 55.36 54.02 2kss s GLN 85 Cb -0.25 -0.31 -0.03 0.00 -1.09 0.00 0.00 33.01 31.33 2kss s GLN 85 CO 0.31 -0.01 -0.01 0.08 -1.32 0.00 0.00 175.29 174.34 2kss s VAL 86 N 0.33 4.13 -0.13 3.63 1.01 0.10 -2.50 120.40 126.98 2kss s VAL 86 Ca -0.03 -0.29 0.02 0.00 0.00 0.00 0.00 61.98 61.68 2kss s VAL 86 Cb -0.06 -2.78 0.01 0.00 0.00 0.00 0.00 36.38 33.56 2kss s VAL 86 CO -0.01 0.54 -0.19 -0.22 0.00 0.00 0.00 175.10 175.23 2kss s LEU 87 N -0.22 1.94 0.19 3.92 0.20 -1.01 -2.06 118.68 121.64 2kss s LEU 87 Ca 0.05 -0.53 -0.04 0.00 0.69 0.00 0.00 54.13 54.30 2kss s LEU 87 Cb -0.13 -1.29 -0.05 0.00 -0.43 0.00 0.00 46.19 44.29 2kss s LEU 87 CO 0.02 0.05 0.42 -0.69 -0.29 0.00 0.00 176.35 175.86 2kss s VAL 88 N 0.90 5.14 0.05 1.68 1.01 -1.12 -2.89 120.40 125.17 2kss s VAL 88 Ca -0.07 -0.04 -0.31 0.00 0.00 0.00 0.00 61.98 61.56 2kss s VAL 88 Cb -0.15 -3.67 -0.07 0.00 0.00 0.00 0.00 36.38 32.49 2kss s VAL 88 CO -0.02 -0.09 1.44 -1.61 0.00 0.00 0.00 175.10 174.82 2kss s GLU 89 N -3.00 4.28 -0.47 2.72 2.02 -1.26 -1.89 118.70 121.10 2kss s GLU 89 Ca 0.41 2.06 0.00 0.00 0.02 0.00 0.00 54.97 57.46 2kss s GLU 89 Cb -0.12 -3.46 0.00 0.00 0.10 0.00 0.00 34.13 30.65 2kss s GLU 89 CO 0.26 -0.55 0.00 0.41 0.02 0.00 0.00 175.26 175.40 2kss n GLY 90 N 3.65 0.69 0.00 -1.39 0.00 -1.26 -4.97 105.19 101.91 2kss n GLY 90 Ca 0.13 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.51 0.00 0.00 0.99 4.32 -0.79 -5.18 117.00 115.83 2kss n LEU 91 Ca -0.04 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.95 2kss n LEU 91 Cb 0.23 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.03 2kss n LEU 91 CO 0.07 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 176.85 2kss n GLY 92 N 2.62 1.92 3.02 -0.72 0.00 -1.26 -4.70 105.19 106.07 2kss n GLY 92 Ca 0.00 -2.09 -0.22 0.00 0.00 0.00 0.00 46.02 43.72 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 0.42 1.18 0.21 1.61 -1.05 -1.26 -2.79 118.70 117.02 2kss s GLU 93 Ca 0.00 -0.35 0.02 0.00 -0.15 0.00 0.00 54.97 54.49 2kss s GLU 93 Cb 0.00 -1.07 -0.05 0.00 -0.44 0.00 0.00 34.13 32.57 2kss s GLU 93 CO 0.00 0.11 0.02 0.34 0.95 0.00 0.00 175.26 176.67 2kss s ASP 94 N 0.30 1.47 -0.14 0.83 -1.08 -0.87 -4.97 116.67 112.19 2kss s ASP 94 Ca -0.06 -1.23 -0.07 0.00 -0.52 0.00 0.00 52.55 50.67 2kss s ASP 94 Cb -0.11 0.08 -0.04 0.00 -1.46 0.00 0.00 42.92 41.39 2kss s ASP 94 CO 0.01 -0.58 0.10 -0.76 0.52 0.00 0.00 175.17 174.47 2kss s LEU 95 N -3.26 4.12 0.29 -1.34 1.02 -1.26 -0.72 118.68 117.54 2kss s LEU 95 Ca 0.28 0.30 0.03 0.00 0.02 0.00 0.00 54.13 54.76 2kss s LEU 95 Cb 0.06 -2.02 -0.06 0.00 0.02 0.00 0.00 46.19 44.20 2kss s LEU 95 CO 0.08 0.31 0.05 -0.36 0.02 0.00 0.00 176.35 176.44 2kss s PHE 96 N -0.43 1.81 0.41 0.29 0.08 -1.02 -4.97 117.98 114.15 2kss s PHE 96 Ca 0.11 -0.97 -0.03 0.00 0.12 0.00 0.00 56.93 56.16 2kss s PHE 96 Cb -0.12 -1.13 -0.04 0.00 -0.57 0.00 0.00 43.02 41.16 2kss s PHE 96 CO 0.02 -0.04 0.67 -0.06 -0.10 0.00 0.00 175.22 175.70 2kss s PHE 97 N -3.38 3.53 -0.05 0.36 0.08 -1.26 -4.43 117.98 112.83 2kss s PHE 97 Ca 0.35 0.61 0.23 0.00 0.12 0.00 0.00 56.93 58.23 2kss s PHE 97 Cb 0.08 -2.12 0.64 0.00 -0.57 0.00 0.00 43.02 41.06 2kss s PHE 97 CO 0.14 -0.07 1.71 -1.00 -0.10 0.00 0.00 175.22 175.89 2kss h PRO 98 N 0.56 0.00 0.00 0.24 0.13 -1.98 -2.88 132.00 128.07 2kss h PRO 98 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 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 0.62 0.23 -0.82 -1.91 -0.23 0.00 0.00 178.00 175.89 2kss n GLU 99 N -3.26 0.00 0.06 0.86 4.07 -1.26 -4.44 120.64 116.67 2kss n GLU 99 Ca 0.01 -0.00 -0.03 0.00 -0.06 0.00 0.00 57.16 57.08 2kss n GLU 99 Cb 0.51 -1.50 -0.01 0.00 -0.06 0.00 0.00 31.44 30.38 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 -0.20 -6.47 5.31 4.39 -1.90 -3.46 114.58 112.26 2kss h GLU 100 Ca 0.00 0.01 -0.43 0.00 0.34 0.00 0.00 59.36 59.28 2kss h GLU 100 Cb 0.50 0.04 0.02 0.00 -0.10 0.00 0.00 28.75 29.22 2kss h GLU 100 CO 0.00 -0.13 -0.25 -0.48 -1.16 0.00 0.00 179.01 176.99 2kss s LEU 101 N -6.55 3.71 0.29 1.33 0.05 -1.20 -4.60 118.68 111.71 2kss s LEU 101 Ca -0.03 -0.25 0.04 0.00 0.05 0.00 0.00 54.13 53.94 2kss s LEU 101 Cb 0.00 -2.75 -0.06 0.00 -2.05 0.00 0.00 46.19 41.34 2kss s LEU 101 CO 0.09 -0.70 0.03 -1.83 -0.55 0.00 0.00 176.35 173.40 2kss s GLU 102 N -4.36 1.52 -0.19 1.48 -1.05 -1.25 -4.81 118.70 110.04 2kss s GLU 102 Ca 0.52 -1.82 -0.29 0.00 -0.15 0.00 0.00 54.97 53.23 2kss s GLU 102 Cb -0.10 -0.75 -0.00 0.00 -0.44 0.00 0.00 34.13 32.84 2kss s GLU 102 CO 0.33 -0.15 1.15 -1.17 0.95 0.00 0.00 175.26 176.37 2kss s LEU 103 N -3.41 4.15 0.74 1.83 2.96 -1.26 -3.19 118.68 120.50 2kss s LEU 103 Ca 0.34 1.55 -0.16 0.00 -0.22 0.00 0.00 54.13 55.64 2kss s LEU 103 Cb 0.07 -3.54 -0.00 0.00 0.50 0.00 0.00 46.19 43.22 2kss s LEU 103 CO 0.13 -0.70 0.80 0.00 -1.32 0.00 0.00 176.35 175.26 2kss n ALA 104 N 6.39 -0.79 0.02 5.97 0.00 -1.25 -4.95 120.51 125.90 2kss n ALA 104 Ca 0.13 -0.24 -0.10 0.00 0.00 0.00 0.00 53.44 53.23 2kss n ALA 104 Cb 0.46 -2.02 -0.07 0.00 0.00 0.00 0.00 19.45 17.82 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 -0.41 -0.16 -0.02 0.00 0.13 -1.94 -3.50 132.00 126.11 2kss h PRO 105 Ca -0.46 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2kss h PRO 105 Cb 1.33 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.50 2kss h PRO 105 CO 0.45 0.29 0.00 0.39 -0.23 0.00 0.00 178.00 178.89