#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 0.09 -3.06 2.02 0.13 -1.26 -4.80 119.36 112.48 2kss n ILE 22 Ca 0.00 -0.49 -0.44 0.00 -1.10 0.00 0.00 62.75 60.71 2kss n ILE 22 Cb 0.00 -0.04 -0.00 0.00 -0.84 0.00 0.00 39.64 38.76 2kss n ILE 22 CO 0.00 0.00 0.00 -1.58 2.80 0.00 0.00 176.55 177.77 2kss s GLN 23 N -1.54 4.12 0.08 9.51 2.00 -1.26 -5.00 119.66 127.57 2kss s GLN 23 Ca 0.50 -2.76 -0.20 0.00 -2.00 0.00 0.00 55.36 50.89 2kss s GLN 23 Cb -0.35 -4.92 -0.07 0.00 0.80 0.00 0.00 33.01 28.47 2kss s GLN 23 CO 0.73 -1.62 0.60 0.34 -0.50 0.00 0.00 175.29 174.84 2kss s ASP 24 N 2.41 7.11 -0.42 6.67 2.15 -1.26 -5.01 116.67 128.30 2kss s ASP 24 Ca 0.39 1.31 -0.29 0.00 0.43 0.00 0.00 52.55 54.40 2kss s ASP 24 Cb -0.05 -2.38 0.01 0.00 -0.30 0.00 0.00 42.92 40.20 2kss s ASP 24 CO -0.02 0.25 1.42 -2.16 -0.17 0.00 0.00 175.17 174.49 2kss s PRO 25 N -1.04 3.54 0.27 4.34 0.04 -1.26 -4.88 135.00 136.01 2kss s PRO 25 Ca 0.30 0.90 -0.00 0.00 0.04 0.00 0.00 61.00 62.24 2kss s PRO 25 Cb -0.20 -4.04 0.55 0.00 0.04 0.00 0.00 34.50 30.85 2kss s PRO 25 CO 0.20 -1.61 1.76 0.66 0.04 0.00 0.00 177.00 178.05 2kss h SER 26 N 10.80 0.53 -1.38 6.66 4.64 -2.02 -3.42 113.55 129.35 2kss h SER 26 Ca -0.28 0.10 -0.65 0.00 -0.47 0.00 0.00 61.79 60.49 2kss h SER 26 Cb 1.11 0.01 0.13 0.00 -0.31 0.00 0.00 62.40 63.34 2kss h SER 26 CO 1.09 0.21 -0.64 -0.11 -0.87 0.00 0.00 176.83 176.52 2kss n LEU 27 N -4.88 -1.60 -4.86 5.97 0.00 -1.26 -4.93 117.00 105.44 2kss n LEU 27 Ca 0.18 1.01 -0.32 0.00 0.00 0.00 0.00 56.01 56.88 2kss n LEU 27 Cb 0.45 -0.95 -0.05 0.00 0.00 0.00 0.00 43.42 42.87 2kss n LEU 27 CO 0.21 -3.33 -0.19 0.27 0.00 0.00 0.00 177.39 174.34 2kss s ILE 28 N -1.26 5.11 -0.02 1.96 -5.25 -1.26 -5.11 121.20 115.37 2kss s ILE 28 Ca 0.62 -0.43 0.03 0.00 -0.99 0.00 0.00 60.65 59.88 2kss s ILE 28 Cb -0.80 -3.44 -0.00 0.00 2.95 0.00 0.00 42.46 41.16 2kss s ILE 28 CO 0.59 0.20 -0.10 -0.63 -1.79 0.00 0.00 174.94 173.21 2kss s ILE 29 N -1.40 0.83 -0.19 8.37 1.09 -1.26 -5.13 121.20 123.52 2kss s ILE 29 Ca 0.30 -0.41 0.00 0.00 -1.10 0.00 0.00 60.65 59.44 2kss s ILE 29 Cb -0.13 -0.72 0.02 0.00 -1.06 0.00 0.00 42.46 40.57 2kss s ILE 29 CO 0.23 0.25 -0.18 0.00 -0.10 0.00 0.00 174.94 175.14 2kss s HIS 31 N 1.30 -0.10 -0.23 0.00 3.76 -1.26 -5.15 115.29 113.62 2kss s HIS 31 Ca 0.05 -0.34 -0.09 0.00 -0.15 0.00 0.00 55.06 54.52 2kss s HIS 31 Cb -0.13 0.71 -0.04 0.00 1.11 0.00 0.00 32.58 34.22 2kss s HIS 31 CO -0.11 -1.14 0.13 0.34 -0.85 0.00 0.00 174.74 173.11 2kss s ASP 32 N -2.99 5.85 0.08 1.40 2.15 -1.26 -5.06 116.67 116.84 2kss s ASP 32 Ca 0.13 0.05 -0.19 0.00 0.43 0.00 0.00 52.55 52.96 2kss s ASP 32 Cb -0.04 -2.05 -0.07 0.00 -0.30 0.00 0.00 42.92 40.46 2kss s ASP 32 CO 0.06 0.07 0.57 -0.69 -0.17 0.00 0.00 175.17 175.01 2kss s VAL 33 N 1.05 4.74 0.29 1.11 1.01 -1.26 -5.02 120.40 122.31 2kss s VAL 33 Ca 0.06 1.20 -0.30 0.00 0.00 0.00 0.00 61.98 62.94 2kss s VAL 33 Cb -0.14 -3.89 -0.11 0.00 0.00 0.00 0.00 36.38 32.25 2kss s VAL 33 CO 0.04 0.53 1.51 -1.81 0.00 0.00 0.00 175.10 175.37 2kss s ASP 34 N -1.16 6.49 0.00 3.32 -0.00 -1.26 -4.30 116.67 119.76 2kss s ASP 34 Ca 0.30 2.85 0.00 0.00 -0.00 0.00 0.00 52.55 55.69 2kss s ASP 34 Cb -0.19 -2.63 0.00 0.00 -0.00 0.00 0.00 42.92 40.09 2kss s ASP 34 CO 0.19 -0.81 0.00 0.61 -0.00 0.00 0.00 175.17 175.16 2kss n GLY 35 N 1.92 0.73 3.27 0.21 0.00 -1.26 -5.10 105.19 104.96 2kss n GLY 35 Ca 0.06 -0.70 -0.10 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.07 -0.53 -0.07 4.61 0.00 -1.26 -4.91 121.76 117.54 2kss s ALA 36 Ca 0.00 -0.38 -0.16 0.00 0.00 0.00 0.00 51.96 51.41 2kss s ALA 36 Cb 0.00 0.60 -0.12 0.00 0.00 0.00 0.00 23.12 23.60 2kss s ALA 36 CO 0.00 -0.58 0.62 -1.00 0.00 0.00 0.00 175.76 174.80 2kss h PRO 37 N 2.56 -0.20 -5.22 0.00 0.13 -1.97 -3.48 132.00 123.82 2kss h PRO 37 Ca -0.34 0.01 -0.66 0.00 -0.87 0.00 0.00 66.00 64.14 2kss h PRO 37 Cb 1.23 0.05 -0.13 0.00 0.13 0.00 0.00 31.00 32.27 2kss h PRO 37 CO 0.51 0.16 -0.52 0.14 -0.23 0.00 0.00 178.00 178.06 2kss s VAL 38 N -2.85 1.18 -0.01 1.56 -7.23 -1.26 -5.10 120.40 106.69 2kss s VAL 38 Ca -0.10 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.09 2kss s VAL 38 Cb -0.00 -2.26 -0.04 0.00 0.56 0.00 0.00 36.38 34.65 2kss s VAL 38 CO 0.35 0.00 -0.00 -0.60 -0.31 0.00 0.00 175.10 174.54 2kss s ARG 39 N -3.85 2.79 0.17 4.82 3.52 -1.26 -4.97 118.95 120.17 2kss s ARG 39 Ca 0.10 -0.60 -0.34 0.00 -0.13 0.00 0.00 55.73 54.77 2kss s ARG 39 Cb 0.02 -2.67 -0.14 0.00 -1.56 0.00 0.00 34.95 30.60 2kss s ARG 39 CO 0.05 0.63 1.47 -0.89 -0.81 0.00 0.00 175.30 175.75 2kss n ILE 40 N 1.48 0.27 -0.82 4.11 2.08 -1.26 -0.16 119.36 125.06 2kss n ILE 40 Ca -0.15 -0.07 0.00 0.00 0.56 0.00 0.00 62.75 63.09 2kss n ILE 40 Cb 0.53 -1.35 0.00 0.00 -0.75 0.00 0.00 39.64 38.07 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 2.88 0.59 3.73 7.39 0.00 -1.23 -5.02 105.19 113.52 2kss n GLY 41 Ca 0.16 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.00 3.27 -0.35 4.61 0.00 0.77 -4.86 121.76 123.20 2kss s ALA 42 Ca 0.00 0.42 -0.18 0.00 0.00 0.00 0.00 51.96 52.20 2kss s ALA 42 Cb 0.00 -3.17 -0.00 0.00 0.00 0.00 0.00 23.12 19.95 2kss s ALA 42 CO 0.00 -0.07 0.53 0.21 0.00 0.00 0.00 175.76 176.43 2kss s LYS 43 N 0.39 3.61 0.45 0.00 2.20 -1.26 -2.34 119.74 122.79 2kss s LYS 43 Ca 0.45 -0.15 0.07 0.00 -0.36 0.00 0.00 55.97 55.98 2kss s LYS 43 Cb -0.21 -3.81 -0.01 0.00 -1.51 0.00 0.00 37.83 32.29 2kss s LYS 43 CO 0.26 -0.66 0.36 0.14 -0.36 0.00 0.00 175.35 175.09 2kss s VAL 44 N 2.43 2.37 -0.23 4.02 -7.23 -0.32 -3.62 120.40 117.82 2kss s VAL 44 Ca 0.19 -1.42 0.02 0.00 -1.81 0.00 0.00 61.98 58.96 2kss s VAL 44 Cb -0.15 -2.79 0.04 0.00 0.56 0.00 0.00 36.38 34.04 2kss s VAL 44 CO 0.14 0.00 -0.13 -0.75 -0.31 0.00 0.00 175.10 174.04 2kss s LYS 45 N -4.14 2.57 0.07 4.82 2.20 -1.13 -2.57 119.74 121.56 2kss s LYS 45 Ca 0.44 -1.13 -0.31 0.00 -0.36 0.00 0.00 55.97 54.62 2kss s LYS 45 Cb -0.02 -2.80 -0.08 0.00 -1.51 0.00 0.00 37.83 33.43 2kss s LYS 45 CO 0.26 -0.43 1.56 0.08 -0.36 0.00 0.00 175.35 176.47 2kss s VAL 46 N 1.20 3.17 0.96 4.02 1.01 -1.02 -3.94 120.40 125.80 2kss s VAL 46 Ca -0.03 0.66 -0.12 0.00 0.00 0.00 0.00 61.98 62.49 2kss s VAL 46 Cb -0.17 -3.42 0.09 0.00 0.00 0.00 0.00 36.38 32.88 2kss s VAL 46 CO -0.08 0.01 0.68 1.33 0.00 0.00 0.00 175.10 177.04 2kss n VAL 47 N 4.56 0.00 0.04 2.92 0.24 -1.26 -3.59 118.33 121.25 2kss n VAL 47 Ca 0.15 -0.14 -0.08 0.00 -2.04 0.00 0.00 64.34 62.22 2kss n VAL 47 Cb 0.41 -0.77 -0.06 0.00 -1.47 0.00 0.00 33.84 31.95 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 -0.20 -6.06 7.34 0.13 -1.91 -3.33 132.00 126.18 2kss h PRO 48 Ca -0.45 0.01 -0.53 0.00 -0.87 0.00 0.00 66.00 64.17 2kss h PRO 48 Cb 1.29 0.05 -0.05 0.00 0.13 0.00 0.00 31.00 32.41 2kss h PRO 48 CO 0.38 0.15 -0.39 -3.38 -0.23 0.00 0.00 178.00 174.53 2kss s HIS 49 N -2.86 2.45 0.33 1.56 -3.43 -1.26 -4.64 115.29 107.44 2kss s HIS 49 Ca -0.10 -0.59 -0.29 0.00 -0.80 0.00 0.00 55.06 53.29 2kss s HIS 49 Cb 0.00 -2.07 -0.11 0.00 -1.43 0.00 0.00 32.58 28.97 2kss s HIS 49 CO 0.35 -0.13 1.44 0.45 -2.00 0.00 0.00 174.74 174.86 2kss s SER 50 N -4.11 6.51 -0.20 7.38 0.15 -1.26 -4.93 113.70 117.25 2kss s SER 50 Ca 0.44 2.88 0.07 0.00 0.70 0.00 0.00 55.95 60.04 2kss s SER 50 Cb -0.01 -2.65 -0.17 0.00 -1.71 0.00 0.00 66.02 61.48 2kss s SER 50 CO 0.25 -0.76 -0.09 1.21 1.20 0.00 0.00 173.24 175.06 2kss n GLU 51 N 1.06 0.83 0.05 5.44 4.07 -1.26 -4.88 120.64 125.95 2kss n GLU 51 Ca 0.03 0.07 0.00 0.00 -0.06 0.00 0.00 57.16 57.20 2kss n GLU 51 Cb 0.40 -1.44 0.00 0.00 -0.06 0.00 0.00 31.44 30.34 2kss n GLU 51 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 2kss n ASP 52 N -2.93 0.47 0.04 4.31 4.64 -1.26 -5.04 116.55 116.79 2kss n ASP 52 Ca -0.34 0.17 0.00 0.00 -1.38 0.00 0.00 54.79 53.24 2kss n ASP 52 Cb 0.97 -0.06 0.00 0.00 -1.04 0.00 0.00 41.12 40.99 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 2.75 -1.85 3.74 0.27 0.00 -1.26 -5.12 105.19 103.73 2kss n GLY 53 Ca 0.00 0.46 -0.42 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.18 2.09 0.07 2.61 -1.32 -1.26 -4.87 115.64 111.78 2kss s THR 54 Ca 0.00 0.08 -0.27 0.00 -1.21 0.00 0.00 61.69 60.29 2kss s THR 54 Cb 0.00 -3.05 0.09 0.00 -1.51 0.00 0.00 72.50 68.03 2kss s THR 54 CO 0.00 0.01 0.83 -0.51 -2.21 0.00 0.00 174.62 172.75 2kss s ILE 55 N 0.28 0.00 -0.03 5.08 1.10 -1.26 -4.56 121.20 121.81 2kss s ILE 55 Ca 0.66 -0.16 -0.01 0.00 -0.51 0.00 0.00 60.65 60.63 2kss s ILE 55 Cb -0.48 -1.22 0.03 0.00 0.15 0.00 0.00 42.46 40.94 2kss s ILE 55 CO 0.44 0.00 0.07 -0.44 -2.11 0.00 0.00 174.94 172.90 2kss s SER 56 N -2.63 -0.00 0.49 4.50 0.01 -1.26 -5.01 113.70 109.79 2kss s SER 56 Ca 0.06 0.13 0.29 0.00 1.31 0.00 0.00 55.95 57.74 2kss s SER 56 Cb -0.01 0.03 0.93 0.00 0.21 0.00 0.00 66.02 67.19 2kss s SER 56 CO -0.07 -0.12 1.82 -0.61 0.41 0.00 0.00 173.24 174.67 2kss h GLN 57 N 7.12 0.00 -0.06 12.44 5.75 -1.97 -3.02 115.11 135.36 2kss h GLN 57 Ca -0.42 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.06 2kss h GLN 57 Cb 1.14 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.69 2kss h GLN 57 CO 0.46 0.00 -0.02 0.00 -2.65 0.00 0.00 178.83 176.62 2kss h ARG 58 N 0.00 0.13 -0.84 1.69 3.08 -1.97 -2.86 114.38 113.61 2kss h ARG 58 Ca 0.00 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 59.95 2kss h ARG 58 Cb 0.71 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.72 2kss h ARG 58 CO 0.00 0.48 0.06 1.19 -1.07 0.00 0.00 179.97 180.63 2kss n PHE 59 N -4.80 1.09 -1.89 3.04 3.72 -1.20 -4.83 117.46 112.58 2kss n PHE 59 Ca -0.07 -0.49 -0.24 0.00 -0.05 0.00 0.00 57.45 56.60 2kss n PHE 59 Cb 0.24 -0.35 -0.05 0.00 -0.94 0.00 0.00 39.48 38.37 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 -1.37 3.09 0.00 4.37 0.20 -1.08 -1.67 118.68 122.22 2kss s LEU 60 Ca 0.26 -0.34 0.00 0.00 0.69 0.00 0.00 54.13 54.75 2kss s LEU 60 Cb 0.21 -2.55 0.00 0.00 -0.43 0.00 0.00 46.19 43.41 2kss s LEU 60 CO 0.07 -3.05 0.00 0.61 -0.29 0.00 0.00 176.35 173.69 2kss n GLY 61 N 6.73 1.03 2.45 7.98 0.00 -1.24 -4.92 105.19 117.23 2kss n GLY 61 Ca 0.41 -0.39 -0.17 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.49 0.99 -3.68 1.61 -0.06 -0.67 -5.01 117.38 110.07 2kss n GLN 62 Ca 0.00 -2.24 -0.12 0.00 -2.00 0.00 0.00 57.00 52.63 2kss n GLN 62 Cb 0.26 0.28 -0.12 0.00 -4.06 0.00 0.00 30.24 26.60 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 -1.81 -0.34 0.29 1.69 2.01 -1.26 -2.42 115.64 113.80 2kss s THR 63 Ca 0.18 0.22 0.05 0.00 0.31 0.00 0.00 61.69 62.46 2kss s THR 63 Cb -0.01 -0.47 -0.02 0.00 0.01 0.00 0.00 72.50 72.00 2kss s THR 63 CO 0.12 0.09 0.19 0.61 -0.69 0.00 0.00 174.62 174.94 2kss n GLY 64 N 5.04 3.22 3.57 4.40 0.00 -1.06 -4.55 105.19 115.81 2kss n GLY 64 Ca -0.12 -1.93 -0.25 0.00 0.00 0.00 0.00 46.02 43.72 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 -2.99 3.13 -0.56 -0.61 1.01 -0.97 -1.17 121.20 119.03 2kss s ILE 65 Ca 0.27 -1.87 -0.23 0.00 0.00 0.00 0.00 60.65 58.81 2kss s ILE 65 Cb 0.01 -2.61 0.05 0.00 0.01 0.00 0.00 42.46 39.92 2kss s ILE 65 CO 0.19 -0.24 0.92 -0.69 0.00 0.00 0.00 174.94 175.12 2kss s VAL 66 N -2.02 4.42 0.25 2.92 1.01 -0.99 -1.63 120.40 124.37 2kss s VAL 66 Ca 0.28 0.14 0.09 0.00 0.00 0.00 0.00 61.98 62.48 2kss s VAL 66 Cb -0.07 -4.54 -0.05 0.00 0.00 0.00 0.00 36.38 31.73 2kss s VAL 66 CO 0.16 -1.13 1.57 0.58 0.00 0.00 0.00 175.10 176.29 2kss h VAL 67 N 6.00 1.46 -3.80 2.92 2.07 -1.82 -3.26 116.25 119.81 2kss h VAL 67 Ca -0.27 -2.21 -0.36 0.00 0.82 0.00 0.00 66.70 64.69 2kss h VAL 67 Cb 1.07 2.18 -0.30 0.00 -1.52 0.00 0.00 31.29 32.73 2kss h VAL 67 CO 1.09 0.63 -0.76 -0.83 0.02 0.00 0.00 177.57 177.72 2kss s GLY 68 N -4.47 0.35 0.28 2.17 0.00 -1.26 -4.90 107.32 99.48 2kss s GLY 68 Ca -0.02 -0.19 0.06 0.00 0.00 0.00 0.00 44.72 44.57 2kss s GLY 68 CO 0.77 -0.02 0.37 -2.27 0.00 0.00 0.00 173.10 171.96 2kss s LEU 69 N 0.18 4.12 -0.56 0.66 0.20 -1.26 -3.29 118.68 118.73 2kss s LEU 69 Ca -0.02 -0.07 -0.21 0.00 0.69 0.00 0.00 54.13 54.52 2kss s LEU 69 Cb -0.06 -2.74 0.06 0.00 -0.43 0.00 0.00 46.19 43.02 2kss s LEU 69 CO -0.00 -0.19 0.79 0.68 -0.29 0.00 0.00 176.35 177.34 2kss s VAL 70 N -2.07 4.62 0.23 1.68 -7.23 -1.26 -4.39 120.40 111.98 2kss s VAL 70 Ca 0.38 -0.30 0.01 0.00 -1.81 0.00 0.00 61.98 60.25 2kss s VAL 70 Cb -0.09 -4.46 -0.05 0.00 0.56 0.00 0.00 36.38 32.34 2kss s VAL 70 CO 0.29 -1.06 0.09 -0.36 -0.31 0.00 0.00 175.10 173.75 2kss s PHE 71 N 3.29 1.40 -0.63 2.82 0.08 -1.26 -4.80 117.98 118.87 2kss s PHE 71 Ca 0.20 -1.20 -0.38 0.00 0.12 0.00 0.00 56.93 55.68 2kss s PHE 71 Cb -0.17 -0.79 -0.18 0.00 -0.57 0.00 0.00 43.02 41.30 2kss s PHE 71 CO 0.13 -0.38 2.33 -3.47 -0.10 0.00 0.00 175.22 173.73 2kss n ASP 72 N -0.38 0.88 -4.66 1.36 -0.08 -1.26 -4.81 116.55 107.59 2kss n ASP 72 Ca -0.01 0.43 -0.43 0.00 -1.51 0.00 0.00 54.79 53.28 2kss n ASP 72 Cb 0.66 -0.99 -0.02 0.00 2.34 0.00 0.00 41.12 43.10 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 7.40 6.92 0.48 1.67 1.11 -1.26 -4.82 116.67 128.18 2kss s ASP 73 Ca 1.22 1.76 0.00 0.00 0.18 0.00 0.00 52.55 55.71 2kss s ASP 73 Cb -1.27 -2.54 0.00 0.00 1.07 0.00 0.00 42.92 40.18 2kss s ASP 73 CO 0.56 -0.77 0.00 -0.81 1.18 0.00 0.00 175.17 175.34 2kss n PRO 74 N 6.58 0.28 0.00 8.23 -0.04 -1.26 -4.81 135.00 143.97 2kss n PRO 74 Ca 0.14 0.00 0.16 0.00 -0.04 0.00 0.00 63.50 63.76 2kss n PRO 74 Cb 0.45 0.00 0.93 0.00 -0.04 0.00 0.00 33.50 34.84 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 2.68 -0.63 0.55 0.00 -1.26 -2.77 120.51 116.08 2kss n ALA 75 Ca 0.00 -0.20 0.01 0.00 0.00 0.00 0.00 53.44 53.25 2kss n ALA 75 Cb 0.00 -1.51 0.01 0.00 0.00 0.00 0.00 19.45 17.95 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 -1.00 0.54 -1.60 0.00 5.66 -1.26 -5.12 114.28 111.50 2kss n THR 76 Ca 0.23 -0.56 0.01 0.00 -3.05 0.00 0.00 64.05 60.69 2kss n THR 76 Cb 0.12 0.69 -0.01 0.00 -1.55 0.00 0.00 70.33 69.58 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 -0.30 -4.09 -3.51 1.09 6.02 -1.11 -5.05 117.38 110.43 2kss n GLN 77 Ca 0.01 3.19 -0.11 0.00 -0.01 0.00 0.00 57.00 60.07 2kss n GLN 77 Cb 0.41 -4.04 -0.03 0.00 1.02 0.00 0.00 30.24 27.59 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 -5.35 -0.45 -0.07 1.08 6.14 -1.26 -4.70 117.35 112.74 2kss s TYR 78 Ca 0.00 0.51 -0.15 0.00 0.64 0.00 0.00 57.07 58.08 2kss s TYR 78 Cb 0.00 0.50 -0.10 0.00 0.42 0.00 0.00 41.96 42.77 2kss s TYR 78 CO 0.00 -0.57 0.57 -1.00 0.64 0.00 0.00 175.55 175.19 2kss h PRO 79 N 2.32 -0.24 0.00 4.97 0.13 -1.92 -3.41 132.00 133.85 2kss h PRO 79 Ca -0.25 0.02 -0.09 0.00 -0.87 0.00 0.00 66.00 64.81 2kss h PRO 79 Cb 1.22 0.05 -0.02 0.00 0.13 0.00 0.00 31.00 32.38 2kss h PRO 79 CO 0.34 0.05 -1.41 -0.25 -0.23 0.00 0.00 178.00 176.50 2kss n ASP 80 N -4.93 3.41 -4.32 1.44 9.92 -1.26 -5.05 116.55 115.76 2kss n ASP 80 Ca -0.06 0.00 -0.17 0.00 -0.53 0.00 0.00 54.79 54.04 2kss n ASP 80 Cb 0.20 0.81 -0.10 0.00 -0.64 0.00 0.00 41.12 41.39 2kss n ASP 80 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 2kss s ASP 81 N -3.56 1.58 -0.06 -2.24 1.01 -1.26 -5.07 116.67 107.06 2kss s ASP 81 Ca -0.03 -1.27 -0.26 0.00 0.71 0.00 0.00 52.55 51.70 2kss s ASP 81 Cb 0.02 0.06 -0.23 0.00 1.01 0.00 0.00 42.92 43.79 2kss s ASP 81 CO 0.27 -0.59 1.04 1.55 0.21 0.00 0.00 175.17 177.65 2kss h PRO 82 N 2.46 0.09 -6.26 8.23 0.13 -1.92 -3.37 132.00 131.36 2kss h PRO 82 Ca -0.38 -0.09 -0.52 0.00 -0.87 0.00 0.00 66.00 64.14 2kss h PRO 82 Cb 1.23 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 2kss h PRO 82 CO 0.64 0.82 -0.24 -1.17 -0.23 0.00 0.00 178.00 177.81 2kss s LEU 83 N -8.65 3.03 0.38 1.56 2.96 -1.26 -4.52 118.68 112.17 2kss s LEU 83 Ca -0.17 -0.96 -0.25 0.00 -0.22 0.00 0.00 54.13 52.53 2kss s LEU 83 Cb 0.00 -1.60 -0.09 0.00 0.50 0.00 0.00 46.19 45.00 2kss s LEU 83 CO 0.71 -1.08 1.07 0.27 -1.32 0.00 0.00 176.35 176.00 2kss s ILE 84 N -2.65 3.62 -0.04 6.68 -4.36 -1.26 -4.73 121.20 118.46 2kss s ILE 84 Ca 0.48 1.32 0.00 0.00 -0.26 0.00 0.00 60.65 62.19 2kss s ILE 84 Cb -0.04 -3.72 0.03 0.00 1.25 0.00 0.00 42.46 39.98 2kss s ILE 84 CO 0.29 0.08 -0.00 0.00 0.24 0.00 0.00 174.94 175.55 2kss s GLN 85 N -2.28 0.41 -0.05 0.37 -2.07 -1.21 -2.07 119.66 112.76 2kss s GLN 85 Ca 0.55 0.06 -0.11 0.00 -1.82 0.00 0.00 55.36 54.04 2kss s GLN 85 Cb -0.25 -0.60 -0.05 0.00 -1.09 0.00 0.00 33.01 31.02 2kss s GLN 85 CO 0.31 -0.15 0.29 0.08 -1.32 0.00 0.00 175.29 174.50 2kss s VAL 86 N 1.15 5.24 -0.10 3.63 1.01 0.17 -2.27 120.40 129.23 2kss s VAL 86 Ca -0.08 0.57 0.02 0.00 0.00 0.00 0.00 61.98 62.49 2kss s VAL 86 Cb -0.13 -3.58 0.01 0.00 0.00 0.00 0.00 36.38 32.68 2kss s VAL 86 CO -0.02 0.59 -0.16 -0.22 0.00 0.00 0.00 175.10 175.30 2kss s LEU 87 N -1.03 1.76 0.18 3.92 0.20 -0.64 -1.92 118.68 121.15 2kss s LEU 87 Ca 0.20 -0.42 -0.02 0.00 0.69 0.00 0.00 54.13 54.58 2kss s LEU 87 Cb -0.15 -1.08 -0.05 0.00 -0.43 0.00 0.00 46.19 44.48 2kss s LEU 87 CO 0.09 0.04 0.38 -0.69 -0.29 0.00 0.00 176.35 175.89 2kss s VAL 88 N 0.82 5.19 -0.04 1.68 1.01 -1.02 -2.29 120.40 125.75 2kss s VAL 88 Ca -0.10 -0.23 -0.30 0.00 0.00 0.00 0.00 61.98 61.35 2kss s VAL 88 Cb -0.16 -3.69 -0.05 0.00 0.00 0.00 0.00 36.38 32.48 2kss s VAL 88 CO 0.01 -0.10 1.52 -1.61 0.00 0.00 0.00 175.10 174.92 2kss s GLU 89 N -3.09 4.22 0.00 2.72 2.02 -1.26 -1.68 118.70 121.62 2kss s GLU 89 Ca 0.39 2.06 0.00 0.00 0.02 0.00 0.00 54.97 57.44 2kss s GLU 89 Cb -0.11 -3.79 0.00 0.00 0.10 0.00 0.00 34.13 30.32 2kss s GLU 89 CO 0.28 -0.74 0.00 0.41 0.02 0.00 0.00 175.26 175.23 2kss n GLY 90 N 3.90 0.56 0.00 -1.39 0.00 -1.26 -4.97 105.19 102.03 2kss n GLY 90 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.68 -5.16 117.00 116.47 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 0.06 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.86 2kss n LEU 91 CO 0.00 -0.07 0.00 0.61 -1.22 0.00 0.00 177.39 176.71 2kss n GLY 92 N 5.00 1.61 2.86 -0.72 0.00 -1.26 -4.64 105.19 108.03 2kss n GLY 92 Ca 0.00 -1.97 -0.14 0.00 0.00 0.00 0.00 46.02 43.91 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 2.73 0.02 0.25 1.61 -1.05 -1.26 -2.43 118.70 118.58 2kss s GLU 93 Ca 0.00 0.19 0.04 0.00 -0.15 0.00 0.00 54.97 55.05 2kss s GLU 93 Cb 0.00 -0.14 -0.05 0.00 -0.44 0.00 0.00 34.13 33.49 2kss s GLU 93 CO 0.00 -0.12 0.01 0.34 0.95 0.00 0.00 175.26 176.44 2kss s ASP 94 N 0.76 2.00 -0.21 0.83 2.15 -0.81 -4.95 116.67 116.44 2kss s ASP 94 Ca -0.06 -1.25 -0.09 0.00 0.43 0.00 0.00 52.55 51.58 2kss s ASP 94 Cb -0.09 -0.02 -0.05 0.00 -0.30 0.00 0.00 42.92 42.47 2kss s ASP 94 CO -0.03 -0.52 0.11 -0.76 -0.17 0.00 0.00 175.17 173.80 2kss s LEU 95 N -3.35 4.00 0.35 -1.34 1.43 -1.26 -0.66 118.68 117.85 2kss s LEU 95 Ca 0.30 0.12 0.05 0.00 -1.03 0.00 0.00 54.13 53.57 2kss s LEU 95 Cb 0.06 -2.04 -0.07 0.00 0.03 0.00 0.00 46.19 44.17 2kss s LEU 95 CO 0.11 0.14 0.05 -0.36 0.23 0.00 0.00 176.35 176.51 2kss s PHE 96 N 0.60 2.10 0.25 0.29 0.08 -0.88 -4.89 117.98 115.54 2kss s PHE 96 Ca 0.06 -0.89 0.03 0.00 0.12 0.00 0.00 56.93 56.25 2kss s PHE 96 Cb -0.12 -1.41 -0.03 0.00 -0.57 0.00 0.00 43.02 40.88 2kss s PHE 96 CO 0.01 0.12 0.41 -0.06 -0.10 0.00 0.00 175.22 175.59 2kss s PHE 97 N -3.14 3.47 -0.42 0.36 0.40 -1.26 -4.33 117.98 113.06 2kss s PHE 97 Ca 0.36 0.14 0.26 0.00 -0.60 0.00 0.00 56.93 57.09 2kss s PHE 97 Cb 0.09 -1.70 0.88 0.00 0.51 0.00 0.00 43.02 42.80 2kss s PHE 97 CO 0.16 0.36 1.77 -1.00 0.70 0.00 0.00 175.22 177.21 2kss h PRO 98 N 1.28 0.00 -0.00 0.24 0.13 -1.98 -2.70 132.00 128.96 2kss h PRO 98 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2kss h PRO 98 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2kss h PRO 98 CO 0.63 0.00 -0.84 -0.85 -0.23 0.00 0.00 178.00 176.71 2kss n GLU 99 N -2.62 0.33 -0.02 0.86 -0.00 -1.26 -4.53 120.64 113.40 2kss n GLU 99 Ca 0.03 -0.27 -0.00 0.00 -0.00 0.00 0.00 57.16 56.92 2kss n GLU 99 Cb 0.37 -1.49 -0.00 0.00 -0.00 0.00 0.00 31.44 30.31 2kss n GLU 99 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 2kss h GLU 100 N 0.66 0.00 -6.21 3.44 4.39 -1.88 -3.48 114.58 111.50 2kss h GLU 100 Ca 0.00 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.17 2kss h GLU 100 Cb 0.57 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.20 2kss h GLU 100 CO 0.00 0.00 -0.34 -0.48 -1.16 0.00 0.00 179.01 177.03 2kss s LEU 101 N -5.86 4.23 0.39 1.33 0.05 -1.16 -4.75 118.68 112.90 2kss s LEU 101 Ca -0.01 0.38 0.08 0.00 0.05 0.00 0.00 54.13 54.63 2kss s LEU 101 Cb 0.00 -3.15 -0.04 0.00 -2.05 0.00 0.00 46.19 40.96 2kss s LEU 101 CO 0.02 -0.04 0.25 -1.83 -0.55 0.00 0.00 176.35 174.20 2kss s GLU 102 N -3.34 2.43 -0.14 1.48 -1.05 -1.25 -4.76 118.70 112.06 2kss s GLU 102 Ca 0.38 -1.60 -0.27 0.00 -0.15 0.00 0.00 54.97 53.33 2kss s GLU 102 Cb -0.11 -2.22 -0.01 0.00 -0.44 0.00 0.00 34.13 31.34 2kss s GLU 102 CO 0.29 -0.06 0.91 -1.17 0.95 0.00 0.00 175.26 176.18 2kss s LEU 103 N -3.98 4.21 0.77 1.83 0.20 -1.26 -2.85 118.68 117.60 2kss s LEU 103 Ca 0.43 1.33 -0.15 0.00 0.69 0.00 0.00 54.13 56.43 2kss s LEU 103 Cb -0.01 -3.38 0.04 0.00 -0.43 0.00 0.00 46.19 42.41 2kss s LEU 103 CO 0.25 -0.42 1.03 0.00 -0.29 0.00 0.00 176.35 176.92 2kss n ALA 104 N 5.14 -0.28 0.03 5.97 0.00 -1.24 -4.92 120.51 125.20 2kss n ALA 104 Ca 0.06 -0.27 -0.09 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 -0.17 -0.01 0.00 0.13 -1.95 -3.49 132.00 125.91 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 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.49 2kss h PRO 105 CO 0.46 0.24 0.00 0.39 -0.23 0.00 0.00 178.00 178.86