#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 0.00 -0.27 3.17 1.10 -1.26 -5.16 121.20 118.78 2kss s ILE 22 Ca 0.00 0.00 -0.11 0.00 -0.51 0.00 0.00 60.65 60.03 2kss s ILE 22 Cb 0.00 -1.00 0.11 0.00 0.15 0.00 0.00 42.46 41.72 2kss s ILE 22 CO 0.00 0.00 0.60 -1.58 -2.11 0.00 0.00 174.94 171.85 2kss s GLN 23 N 0.86 0.55 0.00 3.50 0.74 -1.26 -5.16 119.66 118.89 2kss s GLN 23 Ca -0.04 1.31 0.05 0.00 0.05 0.00 0.00 55.36 56.73 2kss s GLN 23 Cb -0.05 0.60 -0.01 0.00 1.10 0.00 0.00 33.01 34.65 2kss s GLN 23 CO -0.09 -0.20 -0.15 -0.51 -0.55 0.00 0.00 175.29 173.79 2kss s ASP 24 N 2.54 1.80 0.73 6.67 1.11 -1.26 -5.14 116.67 123.11 2kss s ASP 24 Ca -0.06 -0.33 -0.11 0.00 0.18 0.00 0.00 52.55 52.23 2kss s ASP 24 Cb -0.11 -0.18 0.03 0.00 1.07 0.00 0.00 42.92 43.73 2kss s ASP 24 CO -0.18 0.16 1.07 -2.16 1.18 0.00 0.00 175.17 175.24 2kss s PRO 25 N -0.56 2.65 0.00 8.23 0.04 -1.26 -5.01 135.00 139.09 2kss s PRO 25 Ca 0.05 0.85 0.00 0.00 0.04 0.00 0.00 61.00 61.94 2kss s PRO 25 Cb -0.06 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.51 2kss s PRO 25 CO -0.00 -1.28 0.00 0.45 0.04 0.00 0.00 177.00 176.21 2kss n SER 26 N -3.23 2.19 -3.60 6.66 2.88 -1.26 -5.09 113.62 112.17 2kss n SER 26 Ca 0.07 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.46 2kss n SER 26 Cb 0.54 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.94 2kss n SER 26 CO 0.00 0.00 0.00 -1.48 -1.23 0.00 0.00 175.04 172.33 2kss s LEU 27 N -5.07 -0.68 -0.02 2.46 0.05 -1.26 -5.17 118.68 108.99 2kss s LEU 27 Ca 0.00 1.19 0.03 0.00 0.05 0.00 0.00 54.13 55.40 2kss s LEU 27 Cb 0.00 2.46 -0.00 0.00 -2.05 0.00 0.00 46.19 46.60 2kss s LEU 27 CO 0.00 -0.36 -0.11 -0.63 -0.55 0.00 0.00 176.35 174.69 2kss s ILE 28 N -0.14 0.94 -0.13 1.48 1.09 -1.26 -5.14 121.20 118.04 2kss s ILE 28 Ca -0.04 -0.47 -0.05 0.00 -1.10 0.00 0.00 60.65 58.99 2kss s ILE 28 Cb -0.03 -0.81 -0.04 0.00 -1.06 0.00 0.00 42.46 40.52 2kss s ILE 28 CO 0.04 0.28 0.07 -0.51 -0.10 0.00 0.00 174.94 174.71 2kss s ILE 29 N -0.01 4.87 -0.04 2.92 1.10 -1.26 -5.10 121.20 123.68 2kss s ILE 29 Ca -0.00 -0.02 0.04 0.00 -0.51 0.00 0.00 60.65 60.16 2kss s ILE 29 Cb -0.07 -3.13 -0.03 0.00 0.15 0.00 0.00 42.46 39.39 2kss s ILE 29 CO 0.00 0.56 -0.16 0.00 -2.11 0.00 0.00 174.94 173.23 2kss s HIS 31 N -0.72 2.02 0.28 0.00 0.09 -1.26 -5.10 115.29 110.60 2kss s HIS 31 Ca 0.11 -0.88 -0.29 0.00 -0.00 0.00 0.00 55.06 54.00 2kss s HIS 31 Cb -0.11 -1.67 -0.10 0.00 -0.00 0.00 0.00 32.58 30.70 2kss s HIS 31 CO 0.00 0.24 1.30 0.16 -0.00 0.00 0.00 174.74 176.45 2kss s ASP 32 N -3.86 6.85 -0.14 1.40 3.84 -1.26 -5.01 116.67 118.49 2kss s ASP 32 Ca 0.15 2.56 -0.03 0.00 -0.00 0.00 0.00 52.55 55.23 2kss s ASP 32 Cb 0.03 -2.63 -0.03 0.00 -1.38 0.00 0.00 42.92 38.91 2kss s ASP 32 CO 0.08 -0.51 -0.05 -0.69 -0.00 0.00 0.00 175.17 174.00 2kss s VAL 33 N -0.65 3.82 0.15 2.11 1.01 -1.26 -5.04 120.40 120.53 2kss s VAL 33 Ca 0.52 -0.39 -0.34 0.00 0.00 0.00 0.00 61.98 61.76 2kss s VAL 33 Cb -0.38 -2.65 -0.15 0.00 0.00 0.00 0.00 36.38 33.19 2kss s VAL 33 CO 0.46 0.51 1.34 0.47 0.00 0.00 0.00 175.10 177.89 2kss n ASP 34 N 3.31 1.98 -0.16 3.32 10.43 -1.26 -4.24 116.55 129.92 2kss n ASP 34 Ca -0.18 1.12 0.00 0.00 2.57 0.00 0.00 54.79 58.31 2kss n ASP 34 Cb 0.53 -1.27 0.00 0.00 1.84 0.00 0.00 41.12 42.21 2kss n ASP 34 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2kss n GLY 35 N 2.50 0.57 3.44 0.44 0.00 -1.26 -5.15 105.19 105.72 2kss n GLY 35 Ca 0.16 -0.60 -0.12 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.27 -1.65 0.17 4.61 0.00 -1.26 -4.99 121.76 118.37 2kss s ALA 36 Ca 0.00 0.64 0.02 0.00 0.00 0.00 0.00 51.96 52.62 2kss s ALA 36 Cb 0.00 0.74 0.04 0.00 0.00 0.00 0.00 23.12 23.90 2kss s ALA 36 CO 0.00 -0.73 1.41 -1.00 0.00 0.00 0.00 175.76 175.44 2kss h PRO 37 N 2.05 0.25 -5.10 0.00 0.13 -1.97 -3.46 132.00 123.90 2kss h PRO 37 Ca -0.31 -0.24 -0.60 0.00 -0.87 0.00 0.00 66.00 63.98 2kss h PRO 37 Cb 1.29 0.06 -0.13 0.00 0.13 0.00 0.00 31.00 32.35 2kss h PRO 37 CO 0.37 0.94 -0.52 0.14 -0.23 0.00 0.00 178.00 178.70 2kss s VAL 38 N -3.36 0.79 0.05 1.56 -7.23 -1.26 -4.96 120.40 106.00 2kss s VAL 38 Ca -0.04 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.23 2kss s VAL 38 Cb 0.10 -2.30 -0.03 0.00 0.56 0.00 0.00 36.38 34.71 2kss s VAL 38 CO 0.83 0.00 -0.26 -0.60 -0.31 0.00 0.00 175.10 174.76 2kss s ARG 39 N -3.76 1.79 0.11 4.82 3.52 -1.26 -5.03 118.95 119.15 2kss s ARG 39 Ca 0.18 -1.12 -0.33 0.00 -0.13 0.00 0.00 55.73 54.33 2kss s ARG 39 Cb 0.02 -1.99 -0.12 0.00 -1.56 0.00 0.00 34.95 31.30 2kss s ARG 39 CO 0.11 0.51 1.71 -0.89 -0.81 0.00 0.00 175.30 175.93 2kss n ILE 40 N 1.68 0.19 -1.01 4.11 2.08 -1.26 0.21 119.36 125.36 2kss n ILE 40 Ca -0.17 -0.03 -0.00 0.00 0.56 0.00 0.00 62.75 63.10 2kss n ILE 40 Cb 0.52 -1.80 -0.00 0.00 -0.75 0.00 0.00 39.64 37.61 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 3.86 0.46 3.76 7.39 0.00 -1.01 -4.96 105.19 114.68 2kss n GLY 41 Ca 0.18 -0.13 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.90 3.31 -0.33 4.61 0.00 0.13 -4.81 121.76 122.77 2kss s ALA 42 Ca 0.00 0.72 -0.17 0.00 0.00 0.00 0.00 51.96 52.50 2kss s ALA 42 Cb 0.00 -3.26 -0.01 0.00 0.00 0.00 0.00 23.12 19.85 2kss s ALA 42 CO 0.00 0.01 0.49 0.21 0.00 0.00 0.00 175.76 176.46 2kss s LYS 43 N -1.61 3.73 0.44 0.00 2.20 -1.26 -2.50 119.74 120.74 2kss s LYS 43 Ca 0.46 -0.08 0.06 0.00 -0.36 0.00 0.00 55.97 56.05 2kss s LYS 43 Cb -0.26 -3.77 -0.04 0.00 -1.51 0.00 0.00 37.83 32.25 2kss s LYS 43 CO 0.33 -0.55 0.15 0.14 -0.36 0.00 0.00 175.35 175.07 2kss s VAL 44 N 2.32 2.03 -0.13 4.02 -7.23 -0.58 -3.62 120.40 117.20 2kss s VAL 44 Ca 0.18 -1.77 0.01 0.00 -1.81 0.00 0.00 61.98 58.59 2kss s VAL 44 Cb -0.16 -2.79 0.02 0.00 0.56 0.00 0.00 36.38 34.01 2kss s VAL 44 CO 0.12 0.00 -0.14 -0.75 -0.31 0.00 0.00 175.10 174.02 2kss s LYS 45 N -3.91 2.18 -0.29 4.82 2.20 -1.21 -2.73 119.74 120.80 2kss s LYS 45 Ca 0.34 -0.53 -0.29 0.00 -0.36 0.00 0.00 55.97 55.14 2kss s LYS 45 Cb 0.04 -1.95 -0.01 0.00 -1.51 0.00 0.00 37.83 34.40 2kss s LYS 45 CO 0.19 -0.16 1.46 0.08 -0.36 0.00 0.00 175.35 176.56 2kss s VAL 46 N 1.28 3.90 0.96 4.02 1.01 -1.23 -3.97 120.40 126.36 2kss s VAL 46 Ca -0.00 1.00 -0.12 0.00 0.00 0.00 0.00 61.98 62.85 2kss s VAL 46 Cb -0.14 -3.98 0.09 0.00 0.00 0.00 0.00 36.38 32.36 2kss s VAL 46 CO -0.06 -0.46 0.67 1.33 0.00 0.00 0.00 175.10 176.57 2kss n VAL 47 N 6.51 0.00 -0.02 2.92 0.24 -1.26 -3.84 118.33 122.88 2kss n VAL 47 Ca 0.17 -0.14 -0.12 0.00 -2.04 0.00 0.00 64.34 62.21 2kss n VAL 47 Cb 0.46 -0.77 -0.10 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 -1.76 -0.06 -5.03 7.34 0.13 -1.94 -3.43 132.00 127.25 2kss h PRO 48 Ca -0.45 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.02 2kss h PRO 48 Cb 1.28 0.01 -0.32 0.00 0.13 0.00 0.00 31.00 32.10 2kss h PRO 48 CO 0.37 0.57 -0.81 -1.01 -0.23 0.00 0.00 178.00 176.90 2kss s HIS 49 N -3.11 2.86 1.13 1.56 3.76 -1.26 -4.88 115.29 115.34 2kss s HIS 49 Ca -0.15 -1.42 -0.16 0.00 -0.15 0.00 0.00 55.06 53.18 2kss s HIS 49 Cb -0.01 -1.99 0.25 0.00 1.11 0.00 0.00 32.58 31.95 2kss s HIS 49 CO 0.58 -0.72 1.09 0.45 -0.85 0.00 0.00 174.74 175.30 2kss s SER 50 N 1.35 1.55 -0.09 1.40 0.15 -1.26 -4.99 113.70 111.81 2kss s SER 50 Ca 0.05 0.89 0.17 0.00 0.70 0.00 0.00 55.95 57.76 2kss s SER 50 Cb -0.14 -1.34 -0.25 0.00 -1.71 0.00 0.00 66.02 62.59 2kss s SER 50 CO -0.09 -3.76 0.24 -0.62 1.20 0.00 0.00 173.24 170.21 2kss n GLU 51 N -4.55 0.87 0.00 5.44 1.02 -1.26 -4.74 120.64 117.42 2kss n GLU 51 Ca 0.09 -0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2kss n GLU 51 Cb 0.58 -1.43 0.00 0.00 -0.02 0.00 0.00 31.44 30.58 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 -2.34 0.00 0.00 1.62 9.92 -1.26 -5.05 116.55 119.43 2kss n ASP 52 Ca -0.14 0.21 0.00 0.00 -0.53 0.00 0.00 54.79 54.33 2kss n ASP 52 Cb 0.72 -0.32 0.00 0.00 -0.64 0.00 0.00 41.12 40.88 2kss n ASP 52 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2kss n GLY 53 N 2.07 -0.26 3.74 0.44 0.00 -1.26 -5.13 105.19 104.78 2kss n GLY 53 Ca 0.00 -0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 0.00 2.26 0.15 2.61 -1.32 -1.26 -4.87 115.64 113.22 2kss s THR 54 Ca 0.00 0.21 -0.23 0.00 -1.21 0.00 0.00 61.69 60.47 2kss s THR 54 Cb 0.00 -3.14 0.07 0.00 -1.51 0.00 0.00 72.50 67.92 2kss s THR 54 CO 0.00 0.03 0.59 -0.51 -2.21 0.00 0.00 174.62 172.52 2kss s ILE 55 N 0.20 0.00 -0.22 5.08 -1.16 -1.26 -4.61 121.20 119.23 2kss s ILE 55 Ca 0.64 -0.04 0.00 0.00 -0.51 0.00 0.00 60.65 60.74 2kss s ILE 55 Cb -0.46 -1.01 0.06 0.00 0.61 0.00 0.00 42.46 41.66 2kss s ILE 55 CO 0.44 -0.02 -0.04 -0.55 -2.81 0.00 0.00 174.94 171.96 2kss s SER 56 N -2.70 3.61 0.46 4.50 0.15 -1.26 -4.98 113.70 113.49 2kss s SER 56 Ca 0.01 -1.08 0.20 0.00 0.70 0.00 0.00 55.95 55.78 2kss s SER 56 Cb -0.01 -1.06 1.13 0.00 -1.71 0.00 0.00 66.02 64.37 2kss s SER 56 CO -0.12 -0.24 1.98 -0.61 1.20 0.00 0.00 173.24 175.45 2kss h GLN 57 N 8.02 0.00 -0.63 5.44 5.75 -1.93 0.55 115.11 132.30 2kss h GLN 57 Ca -0.18 0.00 -0.09 0.00 -0.15 0.00 0.00 58.65 58.23 2kss h GLN 57 Cb 1.08 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.61 2kss h GLN 57 CO 0.40 0.20 0.06 -0.09 -2.65 0.00 0.00 178.83 176.75 2kss h ARG 58 N 0.00 1.07 0.00 1.69 2.43 -2.02 -2.91 114.38 114.64 2kss h ARG 58 Ca -0.00 -0.30 0.00 0.00 -0.81 0.00 0.00 59.98 58.86 2kss h ARG 58 Cb 0.42 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 2kss h ARG 58 CO 0.03 1.00 -1.11 1.19 -1.51 0.00 0.00 179.97 179.57 2kss n PHE 59 N -4.20 0.81 -1.53 2.20 3.72 -0.87 -4.83 117.46 112.76 2kss n PHE 59 Ca 0.04 0.23 -0.26 0.00 -0.05 0.00 0.00 57.45 57.41 2kss n PHE 59 Cb 0.31 -0.87 -0.13 0.00 -0.94 0.00 0.00 39.48 37.85 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 -2.57 0.53 0.00 4.37 0.00 0.19 0.63 117.00 120.14 2kss n LEU 60 Ca -0.00 -0.64 0.00 0.00 0.00 0.00 0.00 56.01 55.37 2kss n LEU 60 Cb 0.54 -1.13 0.00 0.00 0.00 0.00 0.00 43.42 42.84 2kss n LEU 60 CO 0.41 -1.64 0.00 0.61 0.00 0.00 0.00 177.39 176.77 2kss n GLY 61 N 6.18 1.33 0.00 -3.96 0.00 -1.25 -4.97 105.19 102.51 2kss n GLY 61 Ca 0.56 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.58 2kss n GLY 61 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2kss n GLN 62 N -0.22 0.92 -3.35 1.61 3.00 0.20 -5.08 117.38 114.47 2kss n GLN 62 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 56.98 2kss n GLN 62 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 30.24 30.20 2kss n GLN 62 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 2kss s THR 63 N -1.40 -0.87 0.40 5.09 2.01 -1.26 -3.53 115.64 116.07 2kss s THR 63 Ca 0.00 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.01 2kss s THR 63 Cb 0.00 -0.92 0.00 0.00 0.01 0.00 0.00 72.50 71.59 2kss s THR 63 CO 0.00 -0.02 0.04 0.61 -0.69 0.00 0.00 174.62 174.56 2kss n GLY 64 N 5.42 3.61 3.44 4.40 0.00 -1.10 -4.54 105.19 116.41 2kss n GLY 64 Ca -0.05 -2.33 -0.29 0.00 0.00 0.00 0.00 46.02 43.36 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 2.54 -0.32 -0.61 1.01 -0.57 -1.53 121.20 119.34 2kss s ILE 65 Ca 0.03 -1.67 -0.25 0.00 0.00 0.00 0.00 60.65 58.76 2kss s ILE 65 Cb -0.00 -2.16 0.01 0.00 0.01 0.00 0.00 42.46 40.32 2kss s ILE 65 CO 0.02 0.07 0.88 -0.69 0.00 0.00 0.00 174.94 175.22 2kss s VAL 66 N -1.17 4.69 0.09 2.92 1.01 -1.04 -1.79 120.40 125.12 2kss s VAL 66 Ca 0.17 1.29 -0.01 0.00 0.00 0.00 0.00 61.98 63.42 2kss s VAL 66 Cb -0.10 -4.24 -0.26 0.00 0.00 0.00 0.00 36.38 31.78 2kss s VAL 66 CO 0.08 -0.36 1.19 1.62 0.00 0.00 0.00 175.10 177.63 2kss h VAL 67 N 5.67 1.55 -0.47 2.92 3.04 -1.92 -2.69 116.25 124.35 2kss h VAL 67 Ca -0.23 -3.13 0.00 0.00 -1.01 0.00 0.00 66.70 62.33 2kss h VAL 67 Cb 1.08 2.90 0.00 0.00 -2.01 0.00 0.00 31.29 33.26 2kss h VAL 67 CO 0.94 0.91 0.00 0.61 -1.01 0.00 0.00 177.57 179.01 2kss n GLY 68 N 1.46 5.16 3.81 3.17 0.00 -1.26 -4.87 105.19 112.65 2kss n GLY 68 Ca -0.06 -1.66 0.01 0.00 0.00 0.00 0.00 46.02 44.31 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 -0.03 -0.44 0.99 0.20 -1.26 -4.77 118.68 113.37 2kss s LEU 69 Ca 0.00 -0.24 -0.10 0.00 0.69 0.00 0.00 54.13 54.48 2kss s LEU 69 Cb 0.00 1.48 0.09 0.00 -0.43 0.00 0.00 46.19 47.33 2kss s LEU 69 CO 0.00 -0.41 0.30 0.68 -0.29 0.00 0.00 176.35 176.63 2kss s VAL 70 N -2.27 4.33 0.23 1.68 -7.23 -1.26 -4.20 120.40 111.68 2kss s VAL 70 Ca 0.21 -1.48 0.00 0.00 -1.81 0.00 0.00 61.98 58.91 2kss s VAL 70 Cb 0.01 -3.70 -0.05 0.00 0.56 0.00 0.00 36.38 33.20 2kss s VAL 70 CO -0.01 -0.60 0.10 0.12 -0.31 0.00 0.00 175.10 174.40 2kss s PHE 71 N 1.43 1.36 -0.65 2.82 5.36 -1.26 -4.90 117.98 122.13 2kss s PHE 71 Ca 0.04 -1.23 -0.38 0.00 -0.96 0.00 0.00 56.93 54.40 2kss s PHE 71 Cb -0.24 -0.75 -0.18 0.00 -0.34 0.00 0.00 43.02 41.50 2kss s PHE 71 CO 0.02 -0.43 2.35 -0.25 -1.46 0.00 0.00 175.22 175.45 2kss n ASP 72 N -0.36 0.84 -4.62 6.13 10.43 -1.26 -4.79 116.55 122.92 2kss n ASP 72 Ca -0.00 0.42 -0.43 0.00 2.57 0.00 0.00 54.79 57.35 2kss n ASP 72 Cb 0.66 -0.98 -0.03 0.00 1.84 0.00 0.00 41.12 42.61 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 7.46 6.82 0.17 -2.24 1.47 -1.26 -4.67 116.67 124.42 2kss s ASP 73 Ca 1.23 0.86 0.00 0.00 1.18 0.00 0.00 52.55 55.82 2kss s ASP 73 Cb -1.28 -2.51 0.00 0.00 -0.34 0.00 0.00 42.92 38.79 2kss s ASP 73 CO 0.56 -0.86 0.00 -0.81 0.68 0.00 0.00 175.17 174.74 2kss n PRO 74 N 6.82 0.74 0.00 2.11 -0.04 -1.26 -4.70 135.00 138.67 2kss n PRO 74 Ca 0.10 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.66 2kss n PRO 74 Cb 0.48 0.00 0.53 0.00 -0.04 0.00 0.00 33.50 34.47 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 2.11 -0.22 0.55 0.00 -1.26 -1.95 120.51 116.74 2kss n ALA 75 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2kss n ALA 75 Cb 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.12 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 -1.22 0.24 -1.58 0.00 5.66 -1.26 -5.12 114.28 111.00 2kss n THR 76 Ca 0.11 -0.51 0.03 0.00 -3.05 0.00 0.00 64.05 60.62 2kss n THR 76 Cb 0.14 1.03 -0.01 0.00 -1.55 0.00 0.00 70.33 69.93 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 -0.12 -4.00 -3.51 1.09 6.02 -0.82 -5.02 117.38 111.02 2kss n GLN 77 Ca 0.00 3.13 -0.15 0.00 -0.01 0.00 0.00 57.00 59.97 2kss n GLN 77 Cb 0.13 -4.00 -0.05 0.00 1.02 0.00 0.00 30.24 27.35 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 -0.54 -0.06 1.08 6.14 -1.26 -4.67 117.35 112.77 2kss s TYR 78 Ca 0.00 0.66 -0.12 0.00 0.64 0.00 0.00 57.07 58.26 2kss s TYR 78 Cb 0.00 0.43 -0.07 0.00 0.42 0.00 0.00 41.96 42.74 2kss s TYR 78 CO 0.00 -0.69 0.47 -1.00 0.64 0.00 0.00 175.55 174.96 2kss h PRO 79 N 2.62 -0.29 0.00 4.97 0.13 -1.91 -3.39 132.00 134.13 2kss h PRO 79 Ca -0.30 0.02 -0.05 0.00 -0.87 0.00 0.00 66.00 64.80 2kss h PRO 79 Cb 1.22 0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 2kss h PRO 79 CO 0.39 -0.11 -1.21 -0.40 -0.23 0.00 0.00 178.00 176.45 2kss n ASP 80 N -4.97 4.19 -4.31 1.44 5.75 -1.26 -5.05 116.55 112.33 2kss n ASP 80 Ca -0.05 0.00 -0.17 0.00 -0.01 0.00 0.00 54.79 54.56 2kss n ASP 80 Cb 0.16 0.70 -0.10 0.00 -1.03 0.00 0.00 41.12 40.85 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 -3.20 2.10 0.17 -1.12 1.11 -1.26 -5.05 116.67 109.42 2kss s ASP 81 Ca -0.02 -1.08 0.00 0.00 0.18 0.00 0.00 52.55 51.63 2kss s ASP 81 Cb 0.01 -0.05 0.02 0.00 1.07 0.00 0.00 42.92 43.97 2kss s ASP 81 CO 0.14 -0.34 1.40 1.55 1.18 0.00 0.00 175.17 179.10 2kss h PRO 82 N 2.59 0.30 -5.58 8.23 0.13 -1.87 -3.40 132.00 132.41 2kss h PRO 82 Ca -0.38 -0.29 -0.63 0.00 -0.87 0.00 0.00 66.00 63.84 2kss h PRO 82 Cb 1.21 0.07 -0.10 0.00 0.13 0.00 0.00 31.00 32.32 2kss h PRO 82 CO 0.64 0.97 -0.46 -0.48 -0.23 0.00 0.00 178.00 178.43 2kss s LEU 83 N -7.69 2.63 0.38 1.56 2.34 -1.26 -4.51 118.68 112.13 2kss s LEU 83 Ca -0.04 -1.40 -0.25 0.00 0.06 0.00 0.00 54.13 52.50 2kss s LEU 83 Cb 0.10 -1.01 -0.09 0.00 -0.56 0.00 0.00 46.19 44.63 2kss s LEU 83 CO 0.84 -0.82 1.06 0.27 -1.06 0.00 0.00 176.35 176.64 2kss s ILE 84 N -2.78 3.66 -0.01 1.48 -4.36 -1.26 -4.54 121.20 113.40 2kss s ILE 84 Ca 0.23 1.33 0.04 0.00 -0.26 0.00 0.00 60.65 61.99 2kss s ILE 84 Cb 0.02 -3.71 -0.01 0.00 1.25 0.00 0.00 42.46 40.01 2kss s ILE 84 CO 0.13 0.06 -0.12 0.00 0.24 0.00 0.00 174.94 175.25 2kss s GLN 85 N -2.36 1.05 -0.03 0.37 -2.07 -1.26 -1.72 119.66 113.64 2kss s GLN 85 Ca 0.56 -0.44 0.02 0.00 -1.82 0.00 0.00 55.36 53.69 2kss s GLN 85 Cb -0.24 -1.01 -0.03 0.00 -1.09 0.00 0.00 33.01 30.65 2kss s GLN 85 CO 0.30 0.25 -0.07 0.08 -1.32 0.00 0.00 175.29 174.52 2kss s VAL 86 N -0.20 3.62 -0.09 3.63 1.01 0.54 -3.20 120.40 125.72 2kss s VAL 86 Ca 0.03 -0.63 -0.00 0.00 0.00 0.00 0.00 61.98 61.38 2kss s VAL 86 Cb -0.06 -2.52 0.02 0.00 0.00 0.00 0.00 36.38 33.83 2kss s VAL 86 CO -0.00 0.51 -0.05 -0.22 0.00 0.00 0.00 175.10 175.34 2kss s LEU 87 N -1.07 0.99 0.33 3.92 0.20 -0.74 -1.14 118.68 121.17 2kss s LEU 87 Ca 0.14 -0.20 -0.10 0.00 0.69 0.00 0.00 54.13 54.67 2kss s LEU 87 Cb -0.11 -0.65 -0.07 0.00 -0.43 0.00 0.00 46.19 44.94 2kss s LEU 87 CO 0.04 -0.13 0.66 -0.69 -0.29 0.00 0.00 176.35 175.94 2kss s VAL 88 N 1.67 4.86 0.08 1.68 1.01 -0.95 -1.51 120.40 127.25 2kss s VAL 88 Ca 0.02 0.50 -0.31 0.00 0.00 0.00 0.00 61.98 62.19 2kss s VAL 88 Cb -0.13 -3.69 -0.07 0.00 0.00 0.00 0.00 36.38 32.49 2kss s VAL 88 CO -0.06 -0.32 1.43 -0.70 0.00 0.00 0.00 175.10 175.45 2kss s GLU 89 N -3.42 4.29 0.00 2.72 -6.30 -1.26 -1.79 118.70 112.94 2kss s GLU 89 Ca 0.49 2.08 0.00 0.00 -2.50 0.00 0.00 54.97 55.04 2kss s GLU 89 Cb -0.11 -3.36 0.00 0.00 0.00 0.00 0.00 34.13 30.66 2kss s GLU 89 CO 0.27 -0.51 0.00 0.41 0.02 0.00 0.00 175.26 175.45 2kss n GLY 90 N 3.59 0.36 0.03 -1.50 0.00 -1.26 -4.95 105.19 101.46 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 -0.74 -5.17 117.00 116.40 2kss n LEU 91 Ca 0.00 -0.03 0.00 0.00 -0.02 0.00 0.00 56.01 55.96 2kss n LEU 91 Cb 0.15 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.96 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 4.58 0.99 2.90 -0.72 0.00 -1.26 -4.61 105.19 107.06 2kss n GLY 92 Ca -0.00 -1.90 -0.13 0.00 0.00 0.00 0.00 46.02 43.99 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 1.72 0.04 0.23 1.61 -1.05 -1.26 -2.23 118.70 117.77 2kss s GLU 93 Ca 0.00 0.09 0.03 0.00 -0.15 0.00 0.00 54.97 54.94 2kss s GLU 93 Cb 0.00 -0.02 -0.05 0.00 -0.44 0.00 0.00 34.13 33.62 2kss s GLU 93 CO 0.00 -0.03 0.03 0.34 0.95 0.00 0.00 175.26 176.54 2kss s ASP 94 N 0.21 1.60 -0.20 0.83 2.15 -0.29 -4.95 116.67 116.02 2kss s ASP 94 Ca -0.02 -1.27 -0.09 0.00 0.43 0.00 0.00 52.55 51.61 2kss s ASP 94 Cb -0.02 0.06 -0.05 0.00 -0.30 0.00 0.00 42.92 42.61 2kss s ASP 94 CO -0.01 -0.59 0.11 -0.76 -0.17 0.00 0.00 175.17 173.76 2kss s LEU 95 N -3.30 4.03 0.30 -1.34 1.43 -1.26 -0.33 118.68 118.20 2kss s LEU 95 Ca 0.31 0.14 0.08 0.00 -1.03 0.00 0.00 54.13 53.62 2kss s LEU 95 Cb 0.07 -2.04 -0.06 0.00 0.03 0.00 0.00 46.19 44.18 2kss s LEU 95 CO 0.10 0.15 -0.07 -0.36 0.23 0.00 0.00 176.35 176.40 2kss s PHE 96 N 0.52 2.09 0.45 0.29 0.08 -0.70 -4.98 117.98 115.73 2kss s PHE 96 Ca 0.06 -0.63 -0.06 0.00 0.12 0.00 0.00 56.93 56.41 2kss s PHE 96 Cb -0.12 -1.19 -0.04 0.00 -0.57 0.00 0.00 43.02 41.10 2kss s PHE 96 CO 0.00 0.38 0.77 -0.06 -0.10 0.00 0.00 175.22 176.21 2kss s PHE 97 N -2.88 3.54 -0.01 0.36 0.40 -1.26 -4.07 117.98 114.05 2kss s PHE 97 Ca 0.30 0.86 0.21 0.00 -0.60 0.00 0.00 56.93 57.70 2kss s PHE 97 Cb 0.03 -2.32 0.60 0.00 0.51 0.00 0.00 43.02 41.84 2kss s PHE 97 CO 0.13 -0.21 1.69 -1.00 0.70 0.00 0.00 175.22 176.53 2kss h PRO 98 N 0.54 0.00 -0.25 0.24 0.13 -1.96 -2.81 132.00 127.90 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 0.29 0.00 -0.85 -0.23 0.00 0.00 178.00 177.83 2kss n GLU 99 N -3.31 2.40 -0.01 0.86 0.28 -1.26 -4.51 120.64 115.09 2kss n GLU 99 Ca 0.01 -2.08 -0.01 0.00 -0.16 0.00 0.00 57.16 54.93 2kss n GLU 99 Cb 0.53 -1.49 -0.00 0.00 1.43 0.00 0.00 31.44 31.91 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 4.41 0.00 -6.38 3.44 5.08 -1.89 -3.45 114.58 115.79 2kss h GLU 100 Ca 0.00 0.00 -0.47 0.00 -1.00 0.00 0.00 59.36 57.89 2kss h GLU 100 Cb 0.96 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.21 2kss h GLU 100 CO 0.00 0.00 -0.29 -0.48 -1.00 0.00 0.00 179.01 177.24 2kss s LEU 101 N -4.93 4.12 0.39 1.33 0.05 -1.20 -4.72 118.68 113.71 2kss s LEU 101 Ca -0.02 0.24 0.08 0.00 0.05 0.00 0.00 54.13 54.48 2kss s LEU 101 Cb 0.00 -3.08 -0.07 0.00 -2.05 0.00 0.00 46.19 40.99 2kss s LEU 101 CO 0.02 -0.23 -0.01 -1.83 -0.55 0.00 0.00 176.35 173.75 2kss s GLU 102 N -4.18 1.94 -0.07 1.48 -1.05 -1.26 -4.81 118.70 110.75 2kss s GLU 102 Ca 0.38 -2.03 -0.30 0.00 -0.15 0.00 0.00 54.97 52.87 2kss s GLU 102 Cb -0.09 -1.69 -0.02 0.00 -0.44 0.00 0.00 34.13 31.88 2kss s GLU 102 CO 0.33 0.01 1.10 -1.17 0.95 0.00 0.00 175.26 176.47 2kss s LEU 103 N -3.69 4.28 0.59 1.83 2.96 -1.26 -3.30 118.68 120.09 2kss s LEU 103 Ca 0.35 1.68 -0.18 0.00 -0.22 0.00 0.00 54.13 55.76 2kss s LEU 103 Cb 0.07 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 43.17 2kss s LEU 103 CO 0.18 -0.49 1.17 0.00 -1.32 0.00 0.00 176.35 175.89 2kss s ALA 104 N 1.97 2.56 -0.07 5.97 0.00 -1.24 -4.93 121.76 126.01 2kss s ALA 104 Ca 0.52 0.89 -0.19 0.00 0.00 0.00 0.00 51.96 53.18 2kss s ALA 104 Cb -0.22 -3.41 -0.15 0.00 0.00 0.00 0.00 23.12 19.35 2kss s ALA 104 CO 0.21 -1.09 0.73 -1.00 0.00 0.00 0.00 175.76 174.61 2kss h PRO 105 N 0.82 -0.15 0.00 0.00 0.13 -1.95 -3.48 132.00 127.36 2kss h PRO 105 Ca -0.50 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2kss h PRO 105 Cb 1.28 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.44 2kss h PRO 105 CO 0.55 0.30 0.00 -1.91 -0.23 0.00 0.00 178.00 176.71