#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 0.39 -2.03 1.12 0.13 -1.26 -4.96 119.36 112.75 2kss n ILE 22 Ca 0.00 -1.83 -0.32 0.00 -1.10 0.00 0.00 62.75 59.50 2kss n ILE 22 Cb 0.00 1.00 0.03 0.00 -0.84 0.00 0.00 39.64 39.83 2kss n ILE 22 CO 0.00 0.00 0.00 1.67 2.80 0.00 0.00 176.55 181.02 2kss n GLN 23 N -0.85 3.11 -2.12 9.51 -0.06 -1.26 -5.04 117.38 120.67 2kss n GLN 23 Ca -0.05 -3.92 -0.38 0.00 -2.00 0.00 0.00 57.00 50.65 2kss n GLN 23 Cb 0.85 -2.27 -0.00 0.00 -4.06 0.00 0.00 30.24 24.76 2kss n GLN 23 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 2kss s ASP 24 N -2.43 6.12 -0.44 1.69 2.15 -1.26 -4.93 116.67 117.57 2kss s ASP 24 Ca 0.53 2.50 -0.29 0.00 0.43 0.00 0.00 52.55 55.72 2kss s ASP 24 Cb 0.43 -2.62 0.01 0.00 -0.30 0.00 0.00 42.92 40.44 2kss s ASP 24 CO -0.20 -0.97 1.43 -2.16 -0.17 0.00 0.00 175.17 173.10 2kss s PRO 25 N -2.52 3.51 -0.21 4.34 0.04 -1.26 -4.82 135.00 134.08 2kss s PRO 25 Ca 0.62 0.87 -0.03 0.00 0.04 0.00 0.00 61.00 62.50 2kss s PRO 25 Cb -0.34 -4.05 -0.12 0.00 0.04 0.00 0.00 34.50 30.03 2kss s PRO 25 CO 0.42 -1.65 -0.22 0.43 0.04 0.00 0.00 177.00 176.02 2kss n SER 26 N 9.05 2.11 -4.72 6.66 7.64 -1.26 -4.95 113.62 128.14 2kss n SER 26 Ca 0.16 0.02 -0.42 0.00 1.01 0.00 0.00 58.87 59.64 2kss n SER 26 Cb 0.48 -0.44 -0.03 0.00 -1.01 0.00 0.00 64.21 63.21 2kss n SER 26 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2kss s LEU 27 N -6.55 4.39 -0.33 -3.43 1.02 -1.26 -5.00 118.68 107.52 2kss s LEU 27 Ca -0.29 2.12 -0.09 0.00 0.02 0.00 0.00 54.13 55.89 2kss s LEU 27 Cb 0.09 -3.59 0.01 0.00 0.02 0.00 0.00 46.19 42.73 2kss s LEU 27 CO 0.45 -0.47 0.14 -0.63 0.02 0.00 0.00 176.35 175.86 2kss s ILE 28 N 0.78 4.30 -0.09 -0.59 -1.09 -1.26 -5.05 121.20 118.21 2kss s ILE 28 Ca 0.58 -0.74 -0.04 0.00 -2.23 0.00 0.00 60.65 58.23 2kss s ILE 28 Cb -0.31 -3.30 0.05 0.00 -1.58 0.00 0.00 42.46 37.31 2kss s ILE 28 CO 0.31 -0.06 0.18 -0.63 -1.23 0.00 0.00 174.94 173.51 2kss s ILE 29 N 1.53 -0.25 0.13 2.92 1.09 -1.26 -5.15 121.20 120.21 2kss s ILE 29 Ca 0.02 0.31 0.05 0.00 -1.10 0.00 0.00 60.65 59.93 2kss s ILE 29 Cb -0.18 -0.32 -0.04 0.00 -1.06 0.00 0.00 42.46 40.86 2kss s ILE 29 CO 0.05 0.13 -0.12 0.00 -0.10 0.00 0.00 174.94 174.90 2kss s HIS 31 N -2.50 1.06 0.49 0.00 3.76 -1.26 -5.14 115.29 111.71 2kss s HIS 31 Ca 0.10 -1.28 -0.23 0.00 -0.15 0.00 0.00 55.06 53.50 2kss s HIS 31 Cb -0.03 -0.42 -0.06 0.00 1.11 0.00 0.00 32.58 33.18 2kss s HIS 31 CO 0.02 -0.74 1.31 0.16 -0.85 0.00 0.00 174.74 174.65 2kss s ASP 32 N -3.15 5.70 -0.07 1.40 3.84 -1.26 -5.02 116.67 118.11 2kss s ASP 32 Ca 0.36 2.66 0.05 0.00 -0.00 0.00 0.00 52.55 55.62 2kss s ASP 32 Cb 0.05 -2.63 -0.01 0.00 -1.38 0.00 0.00 42.92 38.95 2kss s ASP 32 CO 0.13 -1.27 -0.22 -0.69 -0.00 0.00 0.00 175.17 173.12 2kss s VAL 33 N -1.34 2.34 0.11 2.11 1.01 -1.26 -5.08 120.40 118.28 2kss s VAL 33 Ca 0.66 -0.96 -0.32 0.00 0.00 0.00 0.00 61.98 61.36 2kss s VAL 33 Cb -0.38 -1.88 -0.11 0.00 0.00 0.00 0.00 36.38 34.01 2kss s VAL 33 CO 0.46 0.57 1.82 0.47 0.00 0.00 0.00 175.10 178.42 2kss n ASP 34 N 2.92 3.91 0.00 3.32 8.00 -1.26 -4.09 116.55 129.35 2kss n ASP 34 Ca -0.17 1.00 0.00 0.00 0.71 0.00 0.00 54.79 56.32 2kss n ASP 34 Cb 0.52 -1.52 0.00 0.00 -0.02 0.00 0.00 41.12 40.10 2kss n ASP 34 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kss n GLY 35 N 4.17 0.72 3.21 0.44 0.00 -1.26 -5.12 105.19 107.35 2kss n GLY 35 Ca 0.18 -0.77 -0.09 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.22 -0.29 -0.08 4.61 0.00 -1.26 -4.91 121.76 118.62 2kss s ALA 36 Ca 0.00 -0.54 -0.26 0.00 0.00 0.00 0.00 51.96 51.16 2kss s ALA 36 Cb 0.00 0.47 -0.21 0.00 0.00 0.00 0.00 23.12 23.38 2kss s ALA 36 CO 0.00 -0.50 0.95 -1.00 0.00 0.00 0.00 175.76 175.21 2kss h PRO 37 N 2.82 -0.03 -5.01 0.00 0.13 -1.96 -3.48 132.00 124.47 2kss h PRO 37 Ca -0.34 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.26 2kss h PRO 37 Cb 1.20 0.01 -0.13 0.00 0.13 0.00 0.00 31.00 32.21 2kss h PRO 37 CO 0.55 0.65 -0.52 0.14 -0.23 0.00 0.00 178.00 178.59 2kss s VAL 38 N -3.15 0.49 0.04 1.56 -7.23 -1.26 -4.97 120.40 105.88 2kss s VAL 38 Ca -0.16 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 57.99 2kss s VAL 38 Cb -0.01 -2.39 -0.04 0.00 0.56 0.00 0.00 36.38 34.50 2kss s VAL 38 CO 0.63 0.00 0.22 -0.60 -0.31 0.00 0.00 175.10 175.04 2kss s ARG 39 N -3.69 3.47 0.34 4.82 3.52 -1.26 -4.98 118.95 121.17 2kss s ARG 39 Ca 0.27 -0.34 -0.29 0.00 -0.13 0.00 0.00 55.73 55.24 2kss s ARG 39 Cb 0.03 -3.04 -0.11 0.00 -1.56 0.00 0.00 34.95 30.26 2kss s ARG 39 CO 0.17 0.62 1.52 -0.89 -0.81 0.00 0.00 175.30 175.90 2kss n ILE 40 N 0.53 1.60 -1.21 4.11 2.08 -1.26 -1.07 119.36 124.14 2kss n ILE 40 Ca -0.07 -0.40 -0.07 0.00 0.56 0.00 0.00 62.75 62.77 2kss n ILE 40 Cb 0.52 -1.94 -0.03 0.00 -0.75 0.00 0.00 39.64 37.44 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 1.17 0.90 3.80 7.39 0.00 -1.04 -4.98 105.19 112.43 2kss n GLY 41 Ca 0.04 -0.39 -0.36 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.12 3.26 -0.44 4.61 0.00 -0.23 -4.82 121.76 122.01 2kss s ALA 42 Ca 0.00 0.39 -0.20 0.00 0.00 0.00 0.00 51.96 52.16 2kss s ALA 42 Cb 0.00 -3.06 0.03 0.00 0.00 0.00 0.00 23.12 20.09 2kss s ALA 42 CO 0.00 0.22 0.59 0.21 0.00 0.00 0.00 175.76 176.78 2kss s LYS 43 N -2.16 3.21 0.44 0.00 2.20 -1.26 -2.39 119.74 119.78 2kss s LYS 43 Ca 0.49 -0.54 0.07 0.00 -0.36 0.00 0.00 55.97 55.63 2kss s LYS 43 Cb -0.17 -3.97 -0.02 0.00 -1.51 0.00 0.00 37.83 32.16 2kss s LYS 43 CO 0.22 -1.00 0.32 0.14 -0.36 0.00 0.00 175.35 174.67 2kss s VAL 44 N 2.62 2.32 -0.14 4.02 -7.23 -0.56 -3.11 120.40 118.32 2kss s VAL 44 Ca 0.19 -1.49 0.00 0.00 -1.81 0.00 0.00 61.98 58.87 2kss s VAL 44 Cb -0.15 -2.81 0.02 0.00 0.56 0.00 0.00 36.38 34.00 2kss s VAL 44 CO 0.17 0.00 -0.11 -0.75 -0.31 0.00 0.00 175.10 174.09 2kss s LYS 45 N -4.09 1.99 0.21 4.82 2.20 -1.19 -2.62 119.74 121.07 2kss s LYS 45 Ca 0.43 -0.45 -0.30 0.00 -0.36 0.00 0.00 55.97 55.28 2kss s LYS 45 Cb -0.01 -1.92 -0.10 0.00 -1.51 0.00 0.00 37.83 34.29 2kss s LYS 45 CO 0.25 -0.26 1.45 0.08 -0.36 0.00 0.00 175.35 176.51 2kss s VAL 46 N 1.57 2.77 0.23 4.02 1.01 -0.80 -3.79 120.40 125.42 2kss s VAL 46 Ca 0.05 0.62 -0.30 0.00 0.00 0.00 0.00 61.98 62.35 2kss s VAL 46 Cb -0.13 -3.40 -0.09 0.00 0.00 0.00 0.00 36.38 32.77 2kss s VAL 46 CO -0.10 0.08 1.26 0.54 0.00 0.00 0.00 175.10 176.89 2kss s VAL 47 N 0.34 3.23 0.13 2.92 0.11 -1.26 -3.91 120.40 121.95 2kss s VAL 47 Ca 0.62 1.08 -0.07 0.00 -2.93 0.00 0.00 61.98 60.68 2kss s VAL 47 Cb -0.41 -3.69 -0.17 0.00 -1.53 0.00 0.00 36.38 30.58 2kss s VAL 47 CO 0.39 0.19 1.31 1.55 -3.33 0.00 0.00 175.10 175.22 2kss h PRO 48 N 4.79 0.52 -6.66 1.54 0.13 -1.92 -3.42 132.00 126.97 2kss h PRO 48 Ca -0.46 -0.50 -0.49 0.00 -0.87 0.00 0.00 66.00 63.68 2kss h PRO 48 Cb 1.22 0.13 0.01 0.00 0.13 0.00 0.00 31.00 32.49 2kss h PRO 48 CO 0.73 1.14 -0.07 -1.01 -0.23 0.00 0.00 178.00 178.56 2kss s HIS 49 N -3.43 3.51 -0.15 1.56 3.76 -1.26 -4.88 115.29 114.41 2kss s HIS 49 Ca -0.07 0.61 0.01 0.00 -0.15 0.00 0.00 55.06 55.46 2kss s HIS 49 Cb 0.09 -2.11 0.00 0.00 1.11 0.00 0.00 32.58 31.67 2kss s HIS 49 CO 0.88 -0.01 -0.17 0.45 -0.85 0.00 0.00 174.74 175.04 2kss s SER 50 N -3.79 3.52 -0.11 1.40 0.15 -1.26 -4.98 113.70 108.63 2kss s SER 50 Ca 0.44 -0.50 -0.03 0.00 0.70 0.00 0.00 55.95 56.56 2kss s SER 50 Cb -0.10 -1.53 -0.06 0.00 -1.71 0.00 0.00 66.02 62.62 2kss s SER 50 CO 0.37 0.09 -0.12 -0.62 1.20 0.00 0.00 173.24 174.15 2kss n GLU 51 N 4.04 0.25 0.00 5.44 1.02 -1.26 -4.92 120.64 125.21 2kss n GLU 51 Ca -0.19 0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.03 2kss n GLU 51 Cb 0.52 -1.04 0.00 0.00 -0.02 0.00 0.00 31.44 30.90 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 -3.19 0.00 -1.04 1.62 4.64 -1.26 -4.98 116.55 112.34 2kss n ASP 52 Ca -0.21 0.00 -0.01 0.00 -1.38 0.00 0.00 54.79 53.19 2kss n ASP 52 Cb 0.68 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.76 2kss n ASP 52 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2kss n GLY 53 N 1.83 -0.32 3.22 0.27 0.00 -1.26 -5.14 105.19 103.79 2kss n GLY 53 Ca 0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 2kss n GLY 53 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2kss s THR 54 N 0.01 -0.02 -0.12 2.61 -1.32 -1.26 -5.16 115.64 110.38 2kss s THR 54 Ca 0.01 0.06 -0.32 0.00 -1.21 0.00 0.00 61.69 60.23 2kss s THR 54 Cb 0.04 -0.52 0.13 0.00 -1.51 0.00 0.00 72.50 70.63 2kss s THR 54 CO -0.01 0.03 1.07 -0.51 -2.21 0.00 0.00 174.62 172.99 2kss s ILE 55 N 0.86 0.00 -0.08 5.08 1.10 -1.26 -4.80 121.20 122.10 2kss s ILE 55 Ca -0.05 0.00 -0.02 0.00 -0.51 0.00 0.00 60.65 60.07 2kss s ILE 55 Cb -0.06 -1.00 0.03 0.00 0.15 0.00 0.00 42.46 41.58 2kss s ILE 55 CO -0.06 0.00 0.03 -0.55 -2.11 0.00 0.00 174.94 172.24 2kss s SER 56 N -2.15 1.65 0.45 4.50 0.15 -1.26 -5.01 113.70 112.03 2kss s SER 56 Ca 0.07 -0.15 0.11 0.00 0.70 0.00 0.00 55.95 56.68 2kss s SER 56 Cb -0.01 -0.36 0.99 0.00 -1.71 0.00 0.00 66.02 64.93 2kss s SER 56 CO -0.06 -0.23 2.07 -0.61 1.20 0.00 0.00 173.24 175.61 2kss h GLN 57 N 8.36 0.30 -0.52 5.44 5.75 -1.97 -0.81 115.11 131.65 2kss h GLN 57 Ca -0.17 -0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 58.28 2kss h GLN 57 Cb 1.12 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 29.58 2kss h GLN 57 CO 0.24 0.23 0.22 -0.09 -2.65 0.00 0.00 178.83 176.79 2kss h ARG 58 N 0.31 0.74 -0.56 1.69 2.43 -2.03 -1.37 114.38 115.58 2kss h ARG 58 Ca 0.08 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2kss h ARG 58 Cb 0.03 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.44 2kss h ARG 58 CO -0.01 0.59 0.00 1.19 -1.51 0.00 0.00 179.97 180.23 2kss n PHE 59 N -4.36 1.84 -1.60 2.20 3.72 -0.42 -4.88 117.46 113.96 2kss n PHE 59 Ca 0.04 -0.72 -0.43 0.00 -0.05 0.00 0.00 57.45 56.30 2kss n PHE 59 Cb 0.14 -0.43 -0.03 0.00 -0.94 0.00 0.00 39.48 38.22 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 -2.55 3.44 -1.13 4.37 2.96 -0.52 -0.52 118.68 124.72 2kss s LEU 60 Ca 0.53 1.89 0.00 0.00 -0.22 0.00 0.00 54.13 56.33 2kss s LEU 60 Cb 0.39 -3.51 0.00 0.00 0.50 0.00 0.00 46.19 43.57 2kss s LEU 60 CO 0.17 -1.97 0.00 0.61 -1.32 0.00 0.00 176.35 173.85 2kss n GLY 61 N 5.76 0.09 3.97 7.98 0.00 -1.25 -4.99 105.19 116.75 2kss n GLY 61 Ca 0.30 -0.36 -0.23 0.00 0.00 0.00 0.00 46.02 45.73 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 -4.39 2.22 -0.11 1.61 2.00 0.32 -4.94 119.66 116.37 2kss s GLN 62 Ca 0.00 -0.81 -0.04 0.00 -2.00 0.00 0.00 55.36 52.52 2kss s GLN 62 Cb 0.00 -2.39 0.05 0.00 0.80 0.00 0.00 33.01 31.47 2kss s GLN 62 CO 0.00 -1.02 0.10 0.99 -0.50 0.00 0.00 175.29 174.86 2kss s THR 63 N -2.95 -0.15 0.40 -0.34 2.01 -1.26 -1.90 115.64 111.45 2kss s THR 63 Ca 0.61 0.13 0.04 0.00 0.31 0.00 0.00 61.69 62.78 2kss s THR 63 Cb -0.09 -0.39 -0.02 0.00 0.01 0.00 0.00 72.50 72.02 2kss s THR 63 CO 0.41 -0.05 0.15 0.61 -0.69 0.00 0.00 174.62 175.05 2kss n GLY 64 N 5.30 3.25 3.65 4.40 0.00 -1.08 -4.54 105.19 116.16 2kss n GLY 64 Ca -0.05 -2.11 -0.27 0.00 0.00 0.00 0.00 46.02 43.59 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 -3.06 3.63 -0.54 -0.61 1.01 -1.04 -1.50 121.20 119.10 2kss s ILE 65 Ca 0.21 -1.46 -0.22 0.00 0.00 0.00 0.00 60.65 59.18 2kss s ILE 65 Cb 0.01 -2.81 0.05 0.00 0.01 0.00 0.00 42.46 39.71 2kss s ILE 65 CO 0.15 -0.10 0.82 -0.69 0.00 0.00 0.00 174.94 175.11 2kss s VAL 66 N -1.71 4.57 -0.15 2.92 1.01 -1.01 -1.55 120.40 124.49 2kss s VAL 66 Ca 0.27 -0.04 0.20 0.00 0.00 0.00 0.00 61.98 62.41 2kss s VAL 66 Cb -0.09 -4.45 0.19 0.00 0.00 0.00 0.00 36.38 32.03 2kss s VAL 66 CO 0.18 -1.01 1.61 1.62 0.00 0.00 0.00 175.10 177.50 2kss h VAL 67 N 5.96 0.52 -3.70 2.92 3.04 -1.84 -2.75 116.25 120.40 2kss h VAL 67 Ca -0.27 -1.54 -0.35 0.00 -1.01 0.00 0.00 66.70 63.53 2kss h VAL 67 Cb 1.08 2.11 -0.31 0.00 -2.01 0.00 0.00 31.29 32.16 2kss h VAL 67 CO 1.05 0.27 -0.76 -0.83 -1.01 0.00 0.00 177.57 176.29 2kss s GLY 68 N -4.34 0.31 0.23 3.17 0.00 -1.26 -4.89 107.32 100.54 2kss s GLY 68 Ca 0.04 -0.10 0.07 0.00 0.00 0.00 0.00 44.72 44.73 2kss s GLY 68 CO 0.69 0.14 0.13 -2.27 0.00 0.00 0.00 173.10 171.79 2kss s LEU 69 N 0.40 3.67 -0.55 0.66 0.20 -1.26 -2.92 118.68 118.88 2kss s LEU 69 Ca -0.05 -0.30 -0.23 0.00 0.69 0.00 0.00 54.13 54.25 2kss s LEU 69 Cb -0.08 -2.23 0.05 0.00 -0.43 0.00 0.00 46.19 43.50 2kss s LEU 69 CO -0.00 0.01 0.86 0.68 -0.29 0.00 0.00 176.35 177.60 2kss s VAL 70 N -2.03 4.52 0.24 1.68 -7.23 -1.26 -4.37 120.40 111.95 2kss s VAL 70 Ca 0.32 -0.01 0.01 0.00 -1.81 0.00 0.00 61.98 60.49 2kss s VAL 70 Cb -0.08 -4.49 -0.05 0.00 0.56 0.00 0.00 36.38 32.32 2kss s VAL 70 CO 0.23 -1.07 0.08 -0.36 -0.31 0.00 0.00 175.10 173.67 2kss s PHE 71 N 3.60 1.48 -0.64 2.82 0.08 -1.26 -4.80 117.98 119.25 2kss s PHE 71 Ca 0.25 -1.16 -0.38 0.00 0.12 0.00 0.00 56.93 55.76 2kss s PHE 71 Cb -0.15 -0.86 -0.18 0.00 -0.57 0.00 0.00 43.02 41.26 2kss s PHE 71 CO 0.16 -0.33 2.34 -3.47 -0.10 0.00 0.00 175.22 173.82 2kss n ASP 72 N -0.43 0.86 -4.64 1.36 -0.08 -1.26 -4.80 116.55 107.56 2kss n ASP 72 Ca -0.01 0.43 -0.43 0.00 -1.51 0.00 0.00 54.79 53.27 2kss n ASP 72 Cb 0.66 -0.99 -0.02 0.00 2.34 0.00 0.00 41.12 43.11 2kss n ASP 72 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 2kss s ASP 73 N 7.42 6.73 0.39 1.67 1.01 -1.26 -4.76 116.67 127.87 2kss s ASP 73 Ca 1.23 1.41 0.00 0.00 0.71 0.00 0.00 52.55 55.90 2kss s ASP 73 Cb -1.28 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 40.11 2kss s ASP 73 CO 0.56 -0.99 0.00 -0.81 0.21 0.00 0.00 175.17 174.14 2kss n PRO 74 N 7.12 0.41 0.00 8.23 -0.04 -1.26 -4.82 135.00 144.64 2kss n PRO 74 Ca 0.15 0.00 0.15 0.00 -0.04 0.00 0.00 63.50 63.75 2kss n PRO 74 Cb 0.46 0.00 0.71 0.00 -0.04 0.00 0.00 33.50 34.63 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 2.43 -0.40 0.55 0.00 -1.26 -2.83 120.51 116.00 2kss n ALA 75 Ca 0.00 -0.13 0.02 0.00 0.00 0.00 0.00 53.44 53.33 2kss n ALA 75 Cb 0.00 -1.48 0.02 0.00 0.00 0.00 0.00 19.45 17.99 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 -1.36 0.98 -1.63 0.00 -1.04 -1.26 -5.11 114.28 104.86 2kss n THR 76 Ca 0.12 -1.05 0.00 0.00 -2.04 0.00 0.00 64.05 61.08 2kss n THR 76 Cb 0.28 0.44 0.00 0.00 -1.82 0.00 0.00 70.33 69.22 2kss n THR 76 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2kss n GLN 77 N -0.58 -4.28 -3.51 -2.82 6.02 -1.13 -5.05 117.38 106.03 2kss n GLN 77 Ca 0.03 3.31 -0.12 0.00 -0.01 0.00 0.00 57.00 60.21 2kss n GLN 77 Cb 0.37 -4.10 -0.04 0.00 1.02 0.00 0.00 30.24 27.49 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 -5.27 -0.46 -0.06 1.08 6.14 -1.26 -4.70 117.35 112.82 2kss s TYR 78 Ca 0.00 0.57 -0.13 0.00 0.64 0.00 0.00 57.07 58.16 2kss s TYR 78 Cb 0.00 0.49 -0.08 0.00 0.42 0.00 0.00 41.96 42.78 2kss s TYR 78 CO 0.00 -0.55 0.50 -1.00 0.64 0.00 0.00 175.55 175.14 2kss h PRO 79 N 2.40 -0.27 0.00 4.97 0.13 -1.92 -3.41 132.00 133.89 2kss h PRO 79 Ca -0.24 0.02 -0.06 0.00 -0.87 0.00 0.00 66.00 64.85 2kss h PRO 79 Cb 1.21 0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 2kss h PRO 79 CO 0.34 -0.05 -1.27 -0.40 -0.23 0.00 0.00 178.00 176.40 2kss n ASP 80 N -4.96 3.99 -4.28 1.44 5.75 -1.26 -5.06 116.55 112.17 2kss n ASP 80 Ca -0.05 0.00 -0.15 0.00 -0.01 0.00 0.00 54.79 54.58 2kss n ASP 80 Cb 0.18 0.72 -0.10 0.00 -1.03 0.00 0.00 41.12 40.89 2kss n ASP 80 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 2kss s ASP 81 N -3.31 1.62 -0.08 -1.12 1.11 -1.26 -5.08 116.67 108.55 2kss s ASP 81 Ca -0.02 -1.16 -0.21 0.00 0.18 0.00 0.00 52.55 51.34 2kss s ASP 81 Cb 0.02 0.04 -0.17 0.00 1.07 0.00 0.00 42.92 43.88 2kss s ASP 81 CO 0.17 -0.49 0.79 1.55 1.18 0.00 0.00 175.17 178.37 2kss h PRO 82 N 2.61 -0.11 -6.55 8.23 0.13 -1.90 -3.39 132.00 131.02 2kss h PRO 82 Ca -0.37 0.01 -0.47 0.00 -0.87 0.00 0.00 66.00 64.29 2kss h PRO 82 Cb 1.21 0.03 0.02 0.00 0.13 0.00 0.00 31.00 32.39 2kss h PRO 82 CO 0.64 0.41 -0.16 -0.48 -0.23 0.00 0.00 178.00 178.18 2kss s LEU 83 N -8.78 3.25 0.37 1.56 2.34 -1.26 -4.39 118.68 111.77 2kss s LEU 83 Ca -0.13 -0.74 -0.25 0.00 0.06 0.00 0.00 54.13 53.07 2kss s LEU 83 Cb -0.00 -1.92 -0.09 0.00 -0.56 0.00 0.00 46.19 43.62 2kss s LEU 83 CO 0.50 -1.15 1.05 0.27 -1.06 0.00 0.00 176.35 175.96 2kss s ILE 84 N -2.58 3.69 -0.03 1.48 -4.36 -1.26 -4.64 121.20 113.51 2kss s ILE 84 Ca 0.58 1.39 0.01 0.00 -0.26 0.00 0.00 60.65 62.37 2kss s ILE 84 Cb -0.07 -3.76 0.03 0.00 1.25 0.00 0.00 42.46 39.91 2kss s ILE 84 CO 0.36 0.09 -0.01 0.00 0.24 0.00 0.00 174.94 175.63 2kss s GLN 85 N -2.24 0.41 0.02 0.37 -2.07 -1.15 -2.35 119.66 112.66 2kss s GLN 85 Ca 0.54 0.03 -0.03 0.00 -1.82 0.00 0.00 55.36 54.08 2kss s GLN 85 Cb -0.24 -0.55 -0.04 0.00 -1.09 0.00 0.00 33.01 31.09 2kss s GLN 85 CO 0.30 -0.12 0.23 0.08 -1.32 0.00 0.00 175.29 174.46 2kss s VAL 86 N 0.96 5.37 -0.11 3.63 1.01 -0.12 -2.42 120.40 128.73 2kss s VAL 86 Ca -0.10 -0.11 -0.01 0.00 0.00 0.00 0.00 61.98 61.75 2kss s VAL 86 Cb -0.14 -3.57 0.03 0.00 0.00 0.00 0.00 36.38 32.71 2kss s VAL 86 CO -0.01 0.27 -0.01 -0.22 0.00 0.00 0.00 175.10 175.13 2kss s LEU 87 N -2.09 0.85 0.38 3.92 0.20 -0.59 -1.70 118.68 119.65 2kss s LEU 87 Ca 0.30 -0.30 -0.13 0.00 0.69 0.00 0.00 54.13 54.69 2kss s LEU 87 Cb -0.13 -0.56 -0.08 0.00 -0.43 0.00 0.00 46.19 45.00 2kss s LEU 87 CO 0.21 -0.21 0.77 -0.69 -0.29 0.00 0.00 176.35 176.14 2kss s VAL 88 N 1.89 4.72 0.19 1.68 1.01 -1.08 -2.48 120.40 126.32 2kss s VAL 88 Ca 0.04 0.81 -0.30 0.00 0.00 0.00 0.00 61.98 62.52 2kss s VAL 88 Cb -0.13 -3.68 -0.09 0.00 0.00 0.00 0.00 36.38 32.48 2kss s VAL 88 CO -0.06 -0.39 1.33 -1.61 0.00 0.00 0.00 175.10 174.37 2kss s GLU 89 N -3.48 4.37 -0.20 2.72 2.02 -1.26 -2.05 118.70 120.81 2kss s GLU 89 Ca 0.53 2.07 0.00 0.00 0.02 0.00 0.00 54.97 57.59 2kss s GLU 89 Cb -0.10 -3.20 0.00 0.00 0.10 0.00 0.00 34.13 30.93 2kss s GLU 89 CO 0.25 -0.30 0.00 0.41 0.02 0.00 0.00 175.26 175.64 2kss n GLY 90 N 2.55 0.28 0.00 -1.39 0.00 -1.26 -4.92 105.19 100.46 2kss n GLY 90 Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.22 0.00 0.00 0.99 4.32 -0.87 -5.17 117.00 116.05 2kss n LEU 91 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.97 2kss n LEU 91 Cb 0.41 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.21 2kss n LEU 91 CO 0.03 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 176.81 2kss n GLY 92 N 4.71 1.61 2.92 -0.72 0.00 -1.26 -4.72 105.19 107.73 2kss n GLY 92 Ca 0.00 -1.90 -0.13 0.00 0.00 0.00 0.00 46.02 43.98 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 2.94 0.08 0.23 1.61 -1.05 -1.26 -2.64 118.70 118.60 2kss s GLU 93 Ca 0.00 0.24 0.03 0.00 -0.15 0.00 0.00 54.97 55.09 2kss s GLU 93 Cb 0.00 -0.10 -0.05 0.00 -0.44 0.00 0.00 34.13 33.54 2kss s GLU 93 CO 0.00 -0.10 0.02 0.34 0.95 0.00 0.00 175.26 176.47 2kss s ASP 94 N 0.70 1.62 -0.19 0.83 2.15 -0.69 -4.99 116.67 116.10 2kss s ASP 94 Ca -0.05 -1.26 -0.09 0.00 0.43 0.00 0.00 52.55 51.58 2kss s ASP 94 Cb -0.07 0.06 -0.05 0.00 -0.30 0.00 0.00 42.92 42.56 2kss s ASP 94 CO -0.03 -0.58 0.10 -0.76 -0.17 0.00 0.00 175.17 173.73 2kss s LEU 95 N -3.30 4.03 0.24 -1.34 1.43 -1.26 -0.94 118.68 117.54 2kss s LEU 95 Ca 0.30 0.17 0.07 0.00 -1.03 0.00 0.00 54.13 53.64 2kss s LEU 95 Cb 0.06 -2.03 -0.05 0.00 0.03 0.00 0.00 46.19 44.20 2kss s LEU 95 CO 0.09 0.19 -0.10 -0.36 0.23 0.00 0.00 176.35 176.40 2kss s PHE 96 N 0.29 1.81 0.40 0.29 0.08 -0.99 -4.97 117.98 114.89 2kss s PHE 96 Ca 0.06 -0.64 -0.02 0.00 0.12 0.00 0.00 56.93 56.45 2kss s PHE 96 Cb -0.12 -0.94 -0.04 0.00 -0.57 0.00 0.00 43.02 41.36 2kss s PHE 96 CO -0.01 0.31 0.65 -0.06 -0.10 0.00 0.00 175.22 176.01 2kss s PHE 97 N -3.01 3.53 -0.40 0.36 0.40 -1.26 -4.30 117.98 113.30 2kss s PHE 97 Ca 0.26 0.56 0.27 0.00 -0.60 0.00 0.00 56.93 57.41 2kss s PHE 97 Cb 0.01 -2.08 0.88 0.00 0.51 0.00 0.00 43.02 42.35 2kss s PHE 97 CO 0.09 -0.04 1.77 -1.00 0.70 0.00 0.00 175.22 176.74 2kss h PRO 98 N 0.57 0.00 -0.03 0.24 0.13 -1.97 -2.63 132.00 128.32 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 0.00 -0.09 -0.85 -0.23 0.00 0.00 178.00 177.44 2kss n GLU 99 N -2.65 2.10 0.00 0.86 0.28 -1.26 -4.54 120.64 115.43 2kss n GLU 99 Ca 0.03 -1.74 0.00 0.00 -0.16 0.00 0.00 57.16 55.30 2kss n GLU 99 Cb 0.37 -1.46 0.00 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 1.07 0.00 -3.13 3.44 -0.58 -0.99 -4.98 120.64 115.47 2kss n GLU 100 Ca 0.13 0.40 -0.18 0.00 -0.42 0.00 0.00 57.16 57.10 2kss n GLU 100 Cb 0.57 -0.90 0.01 0.00 -0.57 0.00 0.00 31.44 30.55 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 -4.11 3.72 0.29 -4.62 -0.00 -1.23 -4.59 118.68 108.13 2kss s LEU 101 Ca 0.00 -0.38 0.11 0.00 -0.00 0.00 0.00 54.13 53.86 2kss s LEU 101 Cb 0.00 -2.66 -0.05 0.00 -0.00 0.00 0.00 46.19 43.48 2kss s LEU 101 CO 0.00 -0.69 -0.13 -1.83 -0.00 0.00 0.00 176.35 173.70 2kss s GLU 102 N -4.30 1.87 -0.09 1.48 -1.05 -1.25 -4.82 118.70 110.54 2kss s GLU 102 Ca 0.53 -1.70 -0.29 0.00 -0.15 0.00 0.00 54.97 53.36 2kss s GLU 102 Cb -0.10 -1.87 -0.02 0.00 -0.44 0.00 0.00 34.13 31.71 2kss s GLU 102 CO 0.32 0.31 0.98 -1.17 0.95 0.00 0.00 175.26 176.65 2kss s LEU 103 N -3.57 4.27 0.43 1.83 0.20 -1.26 -3.14 118.68 117.44 2kss s LEU 103 Ca 0.31 1.52 -0.23 0.00 0.69 0.00 0.00 54.13 56.42 2kss s LEU 103 Cb -0.04 -3.52 -0.08 0.00 -0.43 0.00 0.00 46.19 42.11 2kss s LEU 103 CO 0.17 -0.39 1.07 0.00 -0.29 0.00 0.00 176.35 176.90 2kss s ALA 104 N 1.77 3.00 -0.07 5.97 0.00 -1.18 -4.98 121.76 126.27 2kss s ALA 104 Ca 0.48 0.72 -0.19 0.00 0.00 0.00 0.00 51.96 52.97 2kss s ALA 104 Cb -0.19 -3.29 -0.15 0.00 0.00 0.00 0.00 23.12 19.49 2kss s ALA 104 CO 0.20 -0.33 0.73 -1.00 0.00 0.00 0.00 175.76 175.36 2kss h PRO 105 N 2.15 -0.15 0.00 0.00 0.13 -1.95 -3.47 132.00 128.71 2kss h PRO 105 Ca -0.49 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2kss h PRO 105 Cb 1.22 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2kss h PRO 105 CO 0.61 0.32 0.00 -1.91 -0.23 0.00 0.00 178.00 176.79