#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 3.95 -0.25 2.02 1.10 -1.26 -4.90 121.20 121.86 2kss s ILE 22 Ca 0.00 1.26 -0.17 0.00 -0.51 0.00 0.00 60.65 61.23 2kss s ILE 22 Cb 0.00 -3.81 -0.15 0.00 0.15 0.00 0.00 42.46 38.65 2kss s ILE 22 CO 0.00 -0.05 -0.13 0.00 -2.11 0.00 0.00 174.94 172.65 2kss n GLN 23 N 5.91 0.58 -3.63 3.50 6.02 -1.26 -4.96 117.38 123.55 2kss n GLN 23 Ca 0.13 0.38 -0.33 0.00 -0.01 0.00 0.00 57.00 57.18 2kss n GLN 23 Cb 0.44 -1.59 -0.05 0.00 1.02 0.00 0.00 30.24 30.06 2kss n GLN 23 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2kss s ASP 24 N -7.25 6.56 0.42 1.08 -0.00 -1.26 -5.07 116.67 111.15 2kss s ASP 24 Ca -0.35 0.69 -0.23 0.00 -0.00 0.00 0.00 52.55 52.66 2kss s ASP 24 Cb 0.11 -2.13 -0.09 0.00 -0.00 0.00 0.00 42.92 40.81 2kss s ASP 24 CO 0.53 0.11 1.05 -2.16 -0.00 0.00 0.00 175.17 174.71 2kss s PRO 25 N -2.27 4.07 -0.10 8.23 0.04 -1.26 -4.98 135.00 138.73 2kss s PRO 25 Ca 0.37 1.49 -0.22 0.00 0.04 0.00 0.00 61.00 62.68 2kss s PRO 25 Cb -0.13 -2.44 -0.28 0.00 0.04 0.00 0.00 34.50 31.70 2kss s PRO 25 CO 0.21 -0.22 0.70 0.77 0.04 0.00 0.00 177.00 178.50 2kss h SER 26 N 2.28 0.28 -2.92 6.66 0.02 -2.01 -3.42 113.55 114.44 2kss h SER 26 Ca -0.49 -0.89 -0.57 0.00 -0.84 0.00 0.00 61.79 59.00 2kss h SER 26 Cb 1.22 -0.09 -0.10 0.00 0.14 0.00 0.00 62.40 63.57 2kss h SER 26 CO 0.61 1.37 0.83 -0.76 -1.14 0.00 0.00 176.83 177.74 2kss s LEU 27 N -7.87 3.67 -0.01 5.07 1.02 -1.26 -4.99 118.68 114.32 2kss s LEU 27 Ca -0.18 -0.30 0.05 0.00 0.02 0.00 0.00 54.13 53.72 2kss s LEU 27 Cb 0.01 -2.83 -0.01 0.00 0.02 0.00 0.00 46.19 43.38 2kss s LEU 27 CO 0.75 -1.50 -0.15 0.27 0.02 0.00 0.00 176.35 175.74 2kss s ILE 28 N 4.76 1.21 -0.05 -0.59 -4.36 -1.26 -5.13 121.20 115.78 2kss s ILE 28 Ca 0.35 -0.69 -0.00 0.00 -0.26 0.00 0.00 60.65 60.05 2kss s ILE 28 Cb -0.10 -1.01 0.03 0.00 1.25 0.00 0.00 42.46 42.62 2kss s ILE 28 CO 0.19 0.32 0.00 -0.63 0.24 0.00 0.00 174.94 175.06 2kss s ILE 29 N -0.40 0.26 0.10 8.37 1.09 -1.26 -5.14 121.20 124.22 2kss s ILE 29 Ca 0.06 0.10 0.06 0.00 -1.10 0.00 0.00 60.65 59.77 2kss s ILE 29 Cb -0.06 -0.38 -0.04 0.00 -1.06 0.00 0.00 42.46 40.92 2kss s ILE 29 CO -0.00 0.20 -0.07 0.00 -0.10 0.00 0.00 174.94 174.96 2kss s HIS 31 N -1.24 2.46 -0.27 0.00 3.76 -1.26 -5.04 115.29 113.69 2kss s HIS 31 Ca 0.23 -0.63 -0.10 0.00 -0.15 0.00 0.00 55.06 54.40 2kss s HIS 31 Cb -0.11 -1.95 -0.04 0.00 1.11 0.00 0.00 32.58 31.59 2kss s HIS 31 CO 0.15 0.10 0.15 0.34 -0.85 0.00 0.00 174.74 174.63 2kss s ASP 32 N -3.96 5.73 0.06 1.40 2.15 -1.26 -4.87 116.67 115.93 2kss s ASP 32 Ca 0.38 -0.11 -0.05 0.00 0.43 0.00 0.00 52.55 53.21 2kss s ASP 32 Cb 0.03 -2.06 -0.05 0.00 -0.30 0.00 0.00 42.92 40.54 2kss s ASP 32 CO 0.21 -0.06 0.29 -0.69 -0.17 0.00 0.00 175.17 174.76 2kss s VAL 33 N 1.71 5.27 0.23 1.11 1.01 -1.26 -5.04 120.40 123.42 2kss s VAL 33 Ca 0.07 0.03 -0.31 0.00 0.00 0.00 0.00 61.98 61.77 2kss s VAL 33 Cb -0.16 -3.60 -0.11 0.00 0.00 0.00 0.00 36.38 32.52 2kss s VAL 33 CO 0.09 0.22 1.58 -0.62 0.00 0.00 0.00 175.10 176.37 2kss s ASP 34 N -2.07 6.50 0.00 3.32 -1.08 -1.26 -4.37 116.67 117.70 2kss s ASP 34 Ca 0.33 2.77 0.00 0.00 -0.52 0.00 0.00 52.55 55.13 2kss s ASP 34 Cb -0.13 -2.61 0.00 0.00 -1.46 0.00 0.00 42.92 38.72 2kss s ASP 34 CO 0.21 -0.85 0.00 0.61 0.52 0.00 0.00 175.17 175.65 2kss n GLY 35 N 3.05 -1.41 3.50 2.66 0.00 -1.26 -5.14 105.19 106.58 2kss n GLY 35 Ca 0.11 -0.50 -0.09 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.02 -1.79 -0.04 4.61 0.00 -1.26 -4.95 121.76 118.31 2kss s ALA 36 Ca 0.00 0.98 -0.24 0.00 0.00 0.00 0.00 51.96 52.70 2kss s ALA 36 Cb 0.00 0.40 -0.22 0.00 0.00 0.00 0.00 23.12 23.30 2kss s ALA 36 CO 0.00 -0.67 1.07 -1.00 0.00 0.00 0.00 175.76 175.17 2kss h PRO 37 N 2.07 0.20 -5.08 0.00 0.13 -1.97 -3.47 132.00 123.88 2kss h PRO 37 Ca -0.24 -0.20 -0.56 0.00 -0.87 0.00 0.00 66.00 64.13 2kss h PRO 37 Cb 1.24 0.05 -0.13 0.00 0.13 0.00 0.00 31.00 32.29 2kss h PRO 37 CO 0.32 0.90 -0.53 0.14 -0.23 0.00 0.00 178.00 178.61 2kss s VAL 38 N -3.29 0.74 0.21 1.56 -7.23 -1.26 -4.97 120.40 106.16 2kss s VAL 38 Ca -0.15 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.08 2kss s VAL 38 Cb 0.01 -2.38 -0.04 0.00 0.56 0.00 0.00 36.38 34.53 2kss s VAL 38 CO 0.75 0.00 0.12 -0.60 -0.31 0.00 0.00 175.10 175.06 2kss s ARG 39 N -3.75 2.76 0.17 4.82 6.06 -1.26 -5.04 118.95 122.70 2kss s ARG 39 Ca 0.23 -1.04 -0.31 0.00 -2.50 0.00 0.00 55.73 52.11 2kss s ARG 39 Cb 0.03 -2.51 -0.10 0.00 0.06 0.00 0.00 34.95 32.43 2kss s ARG 39 CO 0.13 0.44 1.53 0.42 -2.50 0.00 0.00 175.30 175.32 2kss s ILE 40 N -1.95 2.69 0.00 4.11 -1.09 -1.26 -1.41 121.20 122.29 2kss s ILE 40 Ca 0.31 0.51 0.00 0.00 -2.23 0.00 0.00 60.65 59.24 2kss s ILE 40 Cb -0.09 -3.33 0.00 0.00 -1.58 0.00 0.00 42.46 37.47 2kss s ILE 40 CO 0.23 0.04 0.00 0.61 -1.23 0.00 0.00 174.94 174.59 2kss n GLY 41 N 3.53 0.54 3.75 6.18 0.00 -1.22 -5.02 105.19 112.94 2kss n GLY 41 Ca 0.13 -0.10 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 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 3.32 -0.37 4.61 0.00 -0.50 -4.88 121.76 121.95 2kss s ALA 42 Ca 0.00 0.62 -0.18 0.00 0.00 0.00 0.00 51.96 52.40 2kss s ALA 42 Cb 0.00 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.89 2kss s ALA 42 CO 0.00 0.14 0.49 0.21 0.00 0.00 0.00 175.76 176.60 2kss s LYS 43 N -0.92 3.51 0.44 0.00 2.20 -1.26 -2.82 119.74 120.89 2kss s LYS 43 Ca 0.42 -0.31 0.07 0.00 -0.36 0.00 0.00 55.97 55.79 2kss s LYS 43 Cb -0.26 -3.84 -0.03 0.00 -1.51 0.00 0.00 37.83 32.19 2kss s LYS 43 CO 0.32 -0.68 0.23 0.14 -0.36 0.00 0.00 175.35 175.00 2kss s VAL 44 N 2.32 2.15 -0.13 4.02 -7.23 -0.89 -3.55 120.40 117.10 2kss s VAL 44 Ca 0.17 -1.63 0.02 0.00 -1.81 0.00 0.00 61.98 58.72 2kss s VAL 44 Cb -0.16 -2.79 0.01 0.00 0.56 0.00 0.00 36.38 34.01 2kss s VAL 44 CO 0.13 0.00 -0.19 -0.75 -0.31 0.00 0.00 175.10 173.99 2kss s LYS 45 N -4.00 2.64 0.04 4.82 2.20 -1.22 -2.78 119.74 121.44 2kss s LYS 45 Ca 0.38 -0.71 -0.30 0.00 -0.36 0.00 0.00 55.97 54.98 2kss s LYS 45 Cb 0.02 -2.18 -0.07 0.00 -1.51 0.00 0.00 37.83 34.08 2kss s LYS 45 CO 0.22 -0.05 1.62 0.08 -0.36 0.00 0.00 175.35 176.85 2kss s VAL 46 N 0.92 3.24 -0.16 4.02 1.01 -0.82 -3.94 120.40 124.67 2kss s VAL 46 Ca -0.06 0.62 -0.29 0.00 0.00 0.00 0.00 61.98 62.24 2kss s VAL 46 Cb -0.15 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 2kss s VAL 46 CO -0.02 -0.01 1.80 0.54 0.00 0.00 0.00 175.10 177.41 2kss s VAL 47 N 2.84 3.42 -0.39 2.92 0.11 -1.26 -3.78 120.40 124.26 2kss s VAL 47 Ca 0.72 0.48 0.27 0.00 -2.93 0.00 0.00 61.98 60.52 2kss s VAL 47 Cb -0.37 -3.42 0.32 0.00 -1.53 0.00 0.00 36.38 31.37 2kss s VAL 47 CO 0.31 -0.17 1.77 1.55 -3.33 0.00 0.00 175.10 175.24 2kss h PRO 48 N 11.48 0.00 -6.76 1.54 0.13 -1.91 -3.43 132.00 133.05 2kss h PRO 48 Ca -0.39 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.26 2kss h PRO 48 Cb 1.19 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 2kss h PRO 48 CO 0.98 0.00 0.19 -1.58 -0.23 0.00 0.00 178.00 177.35 2kss s HIS 49 N -3.32 3.51 -0.36 1.56 2.46 -1.26 -4.82 115.29 113.05 2kss s HIS 49 Ca 0.06 1.44 -0.00 0.00 0.47 0.00 0.00 55.06 57.03 2kss s HIS 49 Cb 0.09 -2.68 0.09 0.00 -0.13 0.00 0.00 32.58 29.95 2kss s HIS 49 CO 0.55 0.16 0.10 0.45 -2.47 0.00 0.00 174.74 173.53 2kss s SER 50 N -1.93 5.00 -0.08 9.88 0.15 -1.26 -4.88 113.70 120.58 2kss s SER 50 Ca 0.51 -1.89 0.03 0.00 0.70 0.00 0.00 55.95 55.30 2kss s SER 50 Cb -0.14 -1.73 -0.07 0.00 -1.71 0.00 0.00 66.02 62.37 2kss s SER 50 CO 0.19 -0.42 -0.04 1.21 1.20 0.00 0.00 173.24 175.38 2kss n GLU 51 N 4.49 1.20 0.10 5.44 2.13 -1.26 -4.71 120.64 128.02 2kss n GLU 51 Ca -0.03 0.03 -0.12 0.00 0.66 0.00 0.00 57.16 57.70 2kss n GLU 51 Cb 0.42 -1.18 -0.08 0.00 0.27 0.00 0.00 31.44 30.87 2kss n GLU 51 CO 0.00 0.00 0.00 0.22 -0.41 0.00 0.00 177.13 176.94 2kss h ASP 52 N 0.00 -0.25 0.00 4.31 1.82 -1.96 -3.49 116.42 116.85 2kss h ASP 52 Ca -0.20 -0.27 0.00 0.00 -0.39 0.00 0.00 57.03 56.17 2kss h ASP 52 Cb 1.36 0.07 0.00 0.00 0.68 0.00 0.00 39.33 41.44 2kss h ASP 52 CO -0.02 0.21 0.00 0.61 -1.61 0.00 0.00 179.24 178.43 2kss n GLY 53 N 0.15 0.06 3.73 -0.78 0.00 -1.26 -5.11 105.19 101.98 2kss n GLY 53 Ca -0.09 0.17 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 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 4.92 0.10 2.61 -1.32 -1.26 -5.00 115.64 115.69 2kss s THR 54 Ca 0.00 1.48 -0.08 0.00 -1.21 0.00 0.00 61.69 61.89 2kss s THR 54 Cb 0.00 -4.05 -0.01 0.00 -1.51 0.00 0.00 72.50 66.93 2kss s THR 54 CO 0.00 0.31 0.17 -0.63 -2.21 0.00 0.00 174.62 172.26 2kss s ILE 55 N 0.38 0.14 0.11 5.08 -1.09 -1.26 -4.98 121.20 119.57 2kss s ILE 55 Ca 0.37 -1.31 -0.24 0.00 -2.23 0.00 0.00 60.65 57.25 2kss s ILE 55 Cb -0.19 -1.45 -0.07 0.00 -1.58 0.00 0.00 42.46 39.17 2kss s ILE 55 CO 0.20 -0.64 0.72 -0.94 -1.23 0.00 0.00 174.94 173.05 2kss s SER 56 N -2.89 7.26 -0.09 3.58 1.04 -1.26 -4.96 113.70 116.38 2kss s SER 56 Ca 0.07 1.49 0.14 0.00 0.48 0.00 0.00 55.95 58.14 2kss s SER 56 Cb 0.05 -2.46 -0.23 0.00 0.10 0.00 0.00 66.02 63.48 2kss s SER 56 CO -0.09 0.17 0.49 1.67 0.98 0.00 0.00 173.24 176.46 2kss n GLN 57 N 1.96 0.65 -0.05 4.02 -0.06 -1.26 -3.08 117.38 119.56 2kss n GLN 57 Ca -0.06 0.20 -0.13 0.00 -2.00 0.00 0.00 57.00 55.02 2kss n GLN 57 Cb 0.50 -1.71 -0.11 0.00 -4.06 0.00 0.00 30.24 24.85 2kss n GLN 57 CO 0.00 0.00 0.00 -0.09 -0.20 0.00 0.00 177.06 176.77 2kss h ARG 58 N 0.00 -0.02 -0.05 3.69 2.43 -2.05 -3.22 114.38 115.17 2kss h ARG 58 Ca -0.36 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.81 2kss h ARG 58 Cb 2.07 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.62 2kss h ARG 58 CO 0.06 0.78 0.00 1.19 -1.51 0.00 0.00 179.97 180.49 2kss n PHE 59 N -4.70 0.07 -1.53 2.20 3.72 -1.26 -4.82 117.46 111.14 2kss n PHE 59 Ca -0.09 -0.04 -0.30 0.00 -0.05 0.00 0.00 57.45 56.97 2kss n PHE 59 Cb 0.39 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.83 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 -0.42 1.19 -0.79 4.37 0.00 -1.18 0.09 117.00 120.27 2kss n LEU 60 Ca 0.08 -0.58 0.00 0.00 0.00 0.00 0.00 56.01 55.51 2kss n LEU 60 Cb 0.09 -1.30 0.00 0.00 0.00 0.00 0.00 43.42 42.21 2kss n LEU 60 CO 0.06 -1.60 0.00 0.61 0.00 0.00 0.00 177.39 176.46 2kss n GLY 61 N 6.24 0.62 0.86 -3.96 0.00 -1.25 -4.93 105.19 102.78 2kss n GLY 61 Ca 0.51 -0.52 -0.07 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.79 1.49 -3.70 1.61 3.00 0.11 -4.98 117.38 114.13 2kss n GLN 62 Ca 0.00 -0.82 -0.11 0.00 -0.01 0.00 0.00 57.00 56.06 2kss n GLN 62 Cb 0.47 0.15 -0.12 0.00 0.00 0.00 0.00 30.24 30.75 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 -0.98 -0.10 0.00 5.09 2.01 -1.26 -1.95 115.64 118.45 2kss s THR 63 Ca 0.04 0.13 0.00 0.00 0.31 0.00 0.00 61.69 62.17 2kss s THR 63 Cb -0.00 -0.52 0.00 0.00 0.01 0.00 0.00 72.50 71.98 2kss s THR 63 CO 0.02 0.05 0.00 0.61 -0.69 0.00 0.00 174.62 174.62 2kss n GLY 64 N 4.40 4.31 3.19 4.40 0.00 -1.12 -4.49 105.19 115.88 2kss n GLY 64 Ca -0.22 -1.34 -0.18 0.00 0.00 0.00 0.00 46.02 44.27 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 -1.72 1.18 -0.18 -0.61 1.01 -1.16 -2.09 121.20 117.63 2kss s ILE 65 Ca 0.00 -1.40 -0.28 0.00 0.00 0.00 0.00 60.65 58.98 2kss s ILE 65 Cb 0.00 -1.19 -0.01 0.00 0.01 0.00 0.00 42.46 41.28 2kss s ILE 65 CO 0.00 -0.26 0.95 -0.69 0.00 0.00 0.00 174.94 174.94 2kss s VAL 66 N -1.44 4.78 -0.08 2.92 1.01 -1.13 -2.67 120.40 123.79 2kss s VAL 66 Ca 0.01 1.87 -0.24 0.00 0.00 0.00 0.00 61.98 63.62 2kss s VAL 66 Cb -0.09 -4.24 -0.20 0.00 0.00 0.00 0.00 36.38 31.85 2kss s VAL 66 CO 0.02 -0.06 0.86 0.58 0.00 0.00 0.00 175.10 176.51 2kss h VAL 67 N 5.27 1.31 0.00 2.92 2.07 -1.84 -3.23 116.25 122.75 2kss h VAL 67 Ca -0.26 -1.63 0.00 0.00 0.82 0.00 0.00 66.70 65.63 2kss h VAL 67 Cb 1.11 2.32 0.00 0.00 -1.52 0.00 0.00 31.29 33.20 2kss h VAL 67 CO 0.89 0.38 0.00 0.61 0.02 0.00 0.00 177.57 179.48 2kss n GLY 68 N 1.02 2.61 3.87 2.17 0.00 -1.26 -4.84 105.19 108.75 2kss n GLY 68 Ca -0.08 -0.57 -0.02 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.02 -0.39 0.99 0.20 -1.26 -4.79 118.68 113.41 2kss s LEU 69 Ca 0.00 -0.54 -0.05 0.00 0.69 0.00 0.00 54.13 54.24 2kss s LEU 69 Cb 0.00 1.93 0.09 0.00 -0.43 0.00 0.00 46.19 47.78 2kss s LEU 69 CO 0.00 -0.83 0.19 0.68 -0.29 0.00 0.00 176.35 176.10 2kss s VAL 70 N -2.29 3.56 0.21 1.68 -7.23 -1.26 -4.22 120.40 110.84 2kss s VAL 70 Ca 0.21 -1.72 0.00 0.00 -1.81 0.00 0.00 61.98 58.67 2kss s VAL 70 Cb -0.02 -3.28 -0.05 0.00 0.56 0.00 0.00 36.38 33.60 2kss s VAL 70 CO 0.03 -0.53 0.08 -0.36 -0.31 0.00 0.00 175.10 174.02 2kss s PHE 71 N 1.26 1.26 0.27 2.82 0.08 -1.26 -4.89 117.98 117.52 2kss s PHE 71 Ca 0.04 -1.22 -0.29 0.00 0.12 0.00 0.00 56.93 55.58 2kss s PHE 71 Cb -0.22 -0.70 -0.14 0.00 -0.57 0.00 0.00 43.02 41.39 2kss s PHE 71 CO -0.02 -0.43 1.09 -0.25 -0.10 0.00 0.00 175.22 175.51 2kss n ASP 72 N -0.31 1.56 -4.47 1.36 9.92 -1.26 -4.59 116.55 118.76 2kss n ASP 72 Ca -0.01 1.17 -0.42 0.00 -0.53 0.00 0.00 54.79 54.99 2kss n ASP 72 Cb 0.65 -1.31 -0.10 0.00 -0.64 0.00 0.00 41.12 39.73 2kss n ASP 72 CO 0.00 0.00 0.00 1.51 0.13 0.00 0.00 177.20 178.84 2kss s ASP 73 N -0.37 6.10 -0.04 -2.24 1.47 -1.26 -4.53 116.67 115.79 2kss s ASP 73 Ca 0.62 -0.80 -0.06 0.00 1.18 0.00 0.00 52.55 53.49 2kss s ASP 73 Cb -0.71 -2.15 -0.04 0.00 -0.34 0.00 0.00 42.92 39.68 2kss s ASP 73 CO 0.58 -0.40 0.35 1.55 0.68 0.00 0.00 175.17 177.92 2kss h PRO 74 N 8.60 -0.22 0.00 2.11 0.13 -1.91 -3.43 132.00 137.27 2kss h PRO 74 Ca -0.28 0.02 -0.06 0.00 -0.87 0.00 0.00 66.00 64.81 2kss h PRO 74 Cb 1.13 0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 2kss h PRO 74 CO 0.71 -0.15 -0.86 0.00 -0.23 0.00 0.00 178.00 177.47 2kss n ALA 75 N -2.51 0.65 0.00 -0.56 0.00 -1.26 -4.92 120.51 111.92 2kss n ALA 75 Ca -0.03 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 52.83 2kss n ALA 75 Cb 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.50 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 -4.53 0.00 -0.01 0.00 -1.04 -1.26 -5.16 114.28 102.28 2kss n THR 76 Ca -0.15 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.86 2kss n THR 76 Cb 0.42 -0.23 0.00 0.00 -1.82 0.00 0.00 70.33 68.71 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 -1.91 -3.63 -3.49 -2.82 10.64 -1.26 -4.82 117.38 110.08 2kss n GLN 77 Ca 0.00 0.00 -0.14 0.00 -1.83 0.00 0.00 57.00 55.03 2kss n GLN 77 Cb 0.17 0.00 -0.04 0.00 -0.86 0.00 0.00 30.24 29.51 2kss n GLN 77 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.06 174.76 2kss s TYR 78 N -2.00 -0.55 -0.07 2.61 6.14 -1.23 -4.74 117.35 117.50 2kss s TYR 78 Ca 0.00 0.69 -0.20 0.00 0.64 0.00 0.00 57.07 58.20 2kss s TYR 78 Cb 0.00 0.48 -0.16 0.00 0.42 0.00 0.00 41.96 42.70 2kss s TYR 78 CO 0.00 -0.65 0.76 -1.00 0.64 0.00 0.00 175.55 175.30 2kss h PRO 79 N 2.49 -0.14 0.00 4.97 0.13 -1.93 -3.36 132.00 134.16 2kss h PRO 79 Ca -0.28 0.01 -0.10 0.00 -0.87 0.00 0.00 66.00 64.76 2kss h PRO 79 Cb 1.21 0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.35 2kss h PRO 79 CO 0.37 0.33 -1.48 -0.25 -0.23 0.00 0.00 178.00 176.74 2kss n ASP 80 N -4.85 3.14 -4.45 1.44 9.92 -1.26 -5.03 116.55 115.45 2kss n ASP 80 Ca -0.07 0.00 -0.23 0.00 -0.53 0.00 0.00 54.79 53.96 2kss n ASP 80 Cb 0.27 0.85 -0.10 0.00 -0.64 0.00 0.00 41.12 41.50 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 -3.69 3.28 0.00 -2.24 -0.00 -1.26 -5.02 116.67 107.75 2kss s ASP 81 Ca -0.04 -1.08 -0.20 0.00 -0.00 0.00 0.00 52.55 51.23 2kss s ASP 81 Cb 0.03 -0.26 -0.22 0.00 -0.00 0.00 0.00 42.92 42.48 2kss s ASP 81 CO 0.32 -0.10 1.13 1.55 -0.00 0.00 0.00 175.17 178.06 2kss h PRO 82 N 2.29 0.38 -5.75 8.23 0.13 -1.82 -3.26 132.00 132.20 2kss h PRO 82 Ca -0.40 -0.37 -0.60 0.00 -0.87 0.00 0.00 66.00 63.76 2kss h PRO 82 Cb 1.25 0.09 -0.08 0.00 0.13 0.00 0.00 31.00 32.39 2kss h PRO 82 CO 0.63 1.03 -0.40 -0.48 -0.23 0.00 0.00 178.00 178.55 2kss s LEU 83 N -8.47 2.73 0.40 1.56 2.34 -1.26 -4.11 118.68 111.86 2kss s LEU 83 Ca -0.14 -1.29 -0.24 0.00 0.06 0.00 0.00 54.13 52.52 2kss s LEU 83 Cb 0.03 -1.17 -0.09 0.00 -0.56 0.00 0.00 46.19 44.41 2kss s LEU 83 CO 0.80 -0.89 1.08 0.27 -1.06 0.00 0.00 176.35 176.54 2kss s ILE 84 N -2.75 3.59 -0.05 1.48 -4.36 -1.26 -4.43 121.20 113.43 2kss s ILE 84 Ca 0.29 1.25 0.02 0.00 -0.26 0.00 0.00 60.65 61.95 2kss s ILE 84 Cb 0.00 -3.66 0.02 0.00 1.25 0.00 0.00 42.46 40.07 2kss s ILE 84 CO 0.17 0.03 -0.08 0.00 0.24 0.00 0.00 174.94 175.30 2kss s GLN 85 N -2.44 1.21 -0.14 0.37 -2.07 -1.26 -1.81 119.66 113.52 2kss s GLN 85 Ca 0.58 -0.27 -0.06 0.00 -1.82 0.00 0.00 55.36 53.79 2kss s GLN 85 Cb -0.24 -1.08 -0.04 0.00 -1.09 0.00 0.00 33.01 30.57 2kss s GLN 85 CO 0.30 -0.00 0.05 0.08 -1.32 0.00 0.00 175.29 174.41 2kss s VAL 86 N 0.67 4.75 -0.13 3.63 1.01 0.05 -2.30 120.40 128.08 2kss s VAL 86 Ca -0.11 -0.06 0.01 0.00 0.00 0.00 0.00 61.98 61.81 2kss s VAL 86 Cb -0.14 -3.08 0.02 0.00 0.00 0.00 0.00 36.38 33.17 2kss s VAL 86 CO 0.02 0.53 -0.15 -0.22 0.00 0.00 0.00 175.10 175.28 2kss s LEU 87 N -0.25 1.75 0.25 3.92 0.20 -1.09 -1.87 118.68 121.59 2kss s LEU 87 Ca 0.08 -0.47 -0.09 0.00 0.69 0.00 0.00 54.13 54.33 2kss s LEU 87 Cb -0.12 -1.17 -0.07 0.00 -0.43 0.00 0.00 46.19 44.40 2kss s LEU 87 CO 0.02 -0.01 0.57 -0.69 -0.29 0.00 0.00 176.35 175.94 2kss s VAL 88 N 1.20 4.93 -0.12 1.68 1.01 -1.02 -2.99 120.40 125.09 2kss s VAL 88 Ca -0.01 0.44 -0.29 0.00 0.00 0.00 0.00 61.98 62.12 2kss s VAL 88 Cb -0.14 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 2kss s VAL 88 CO -0.06 -0.12 1.45 -1.61 0.00 0.00 0.00 175.10 174.76 2kss s GLU 89 N -2.96 4.20 0.00 2.72 2.02 -1.26 -2.03 118.70 121.39 2kss s GLU 89 Ca 0.47 1.91 0.00 0.00 0.02 0.00 0.00 54.97 57.37 2kss s GLU 89 Cb -0.11 -3.87 0.00 0.00 0.10 0.00 0.00 34.13 30.25 2kss s GLU 89 CO 0.23 -0.79 0.00 0.41 0.02 0.00 0.00 175.26 175.13 2kss n GLY 90 N 3.88 2.34 0.00 -1.39 0.00 -1.26 -4.99 105.19 103.77 2kss n GLY 90 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.86 -5.15 117.00 116.30 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 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 2kss n LEU 91 CO 0.00 -0.23 0.00 0.61 -1.22 0.00 0.00 177.39 176.55 2kss n GLY 92 N 5.00 1.46 2.91 -0.72 0.00 -1.26 -4.66 105.19 107.92 2kss n GLY 92 Ca 0.00 -1.89 -0.13 0.00 0.00 0.00 0.00 46.02 44.00 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 2.64 0.08 0.24 1.61 -1.05 -1.26 -2.43 118.70 118.52 2kss s GLU 93 Ca 0.00 0.28 0.03 0.00 -0.15 0.00 0.00 54.97 55.13 2kss s GLU 93 Cb 0.00 -0.13 -0.05 0.00 -0.44 0.00 0.00 34.13 33.51 2kss s GLU 93 CO 0.00 -0.13 0.01 0.34 0.95 0.00 0.00 175.26 176.43 2kss s ASP 94 N 0.86 1.79 -0.22 0.83 2.15 -0.78 -4.98 116.67 116.32 2kss s ASP 94 Ca -0.07 -1.24 -0.09 0.00 0.43 0.00 0.00 52.55 51.58 2kss s ASP 94 Cb -0.09 0.02 -0.04 0.00 -0.30 0.00 0.00 42.92 42.51 2kss s ASP 94 CO -0.04 -0.54 0.11 -0.76 -0.17 0.00 0.00 175.17 173.77 2kss s LEU 95 N -3.31 3.90 0.41 -1.34 1.43 -1.26 -0.77 118.68 117.74 2kss s LEU 95 Ca 0.30 0.06 0.07 0.00 -1.03 0.00 0.00 54.13 53.53 2kss s LEU 95 Cb 0.06 -2.02 -0.07 0.00 0.03 0.00 0.00 46.19 44.19 2kss s LEU 95 CO 0.09 0.10 0.06 -0.36 0.23 0.00 0.00 176.35 176.48 2kss s PHE 96 N 0.82 2.54 0.22 0.29 0.08 -0.75 -4.98 117.98 116.20 2kss s PHE 96 Ca 0.05 -0.65 0.04 0.00 0.12 0.00 0.00 56.93 56.49 2kss s PHE 96 Cb -0.13 -1.84 -0.03 0.00 -0.57 0.00 0.00 43.02 40.45 2kss s PHE 96 CO 0.02 0.36 0.36 -0.06 -0.10 0.00 0.00 175.22 175.80 2kss s PHE 97 N -2.68 3.47 -0.54 0.36 0.08 -1.26 -4.10 117.98 113.31 2kss s PHE 97 Ca 0.37 0.07 0.25 0.00 0.12 0.00 0.00 56.93 57.74 2kss s PHE 97 Cb 0.08 -1.64 0.90 0.00 -0.57 0.00 0.00 43.02 41.78 2kss s PHE 97 CO 0.19 0.43 1.76 -1.00 -0.10 0.00 0.00 175.22 176.50 2kss h PRO 98 N 1.45 0.00 -0.01 0.24 0.13 -1.97 -2.61 132.00 129.23 2kss h PRO 98 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 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 0.64 0.00 -0.67 -0.85 -0.23 0.00 0.00 178.00 176.88 2kss n GLU 99 N -2.38 0.66 -0.02 0.86 -0.00 -1.26 -4.52 120.64 113.98 2kss n GLU 99 Ca 0.04 -0.54 -0.01 0.00 -0.00 0.00 0.00 57.16 56.65 2kss n GLU 99 Cb 0.34 -1.49 -0.00 0.00 -0.00 0.00 0.00 31.44 30.29 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 1.31 0.00 -6.54 3.44 5.08 -1.87 -3.48 114.58 112.51 2kss h GLU 100 Ca 0.00 0.00 -0.44 0.00 -1.00 0.00 0.00 59.36 57.92 2kss h GLU 100 Cb 0.63 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.91 2kss h GLU 100 CO 0.00 0.00 -0.20 -0.48 -1.00 0.00 0.00 179.01 177.33 2kss s LEU 101 N -5.74 3.66 0.30 1.33 0.05 -1.16 -4.56 118.68 112.56 2kss s LEU 101 Ca -0.03 -0.13 0.04 0.00 0.05 0.00 0.00 54.13 54.06 2kss s LEU 101 Cb 0.00 -2.82 -0.06 0.00 -2.05 0.00 0.00 46.19 41.26 2kss s LEU 101 CO 0.04 -0.74 0.02 -1.83 -0.55 0.00 0.00 176.35 173.29 2kss s GLU 102 N -4.43 1.58 0.05 1.48 -1.05 -1.25 -4.76 118.70 110.32 2kss s GLU 102 Ca 0.51 -1.85 -0.30 0.00 -0.15 0.00 0.00 54.97 53.18 2kss s GLU 102 Cb -0.10 -0.90 -0.05 0.00 -0.44 0.00 0.00 34.13 32.65 2kss s GLU 102 CO 0.35 -0.12 1.02 -1.17 0.95 0.00 0.00 175.26 176.28 2kss s LEU 103 N -3.45 4.41 0.28 1.83 2.96 -1.26 -3.37 118.68 120.08 2kss s LEU 103 Ca 0.34 1.79 -0.18 0.00 -0.22 0.00 0.00 54.13 55.86 2kss s LEU 103 Cb 0.07 -3.58 -0.09 0.00 0.50 0.00 0.00 46.19 43.10 2kss s LEU 103 CO 0.14 -0.24 0.75 0.00 -1.32 0.00 0.00 176.35 175.68 2kss s ALA 104 N 0.65 3.35 -0.07 5.97 0.00 -1.23 -4.95 121.76 125.47 2kss s ALA 104 Ca 0.52 0.15 -0.20 0.00 0.00 0.00 0.00 51.96 52.43 2kss s ALA 104 Cb -0.24 -2.84 -0.16 0.00 0.00 0.00 0.00 23.12 19.88 2kss s ALA 104 CO 0.29 0.31 0.77 -1.00 0.00 0.00 0.00 175.76 176.13 2kss h PRO 105 N 2.90 -0.13 -0.02 0.00 0.13 -1.96 -3.48 132.00 129.45 2kss h PRO 105 Ca -0.48 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2kss h PRO 105 Cb 1.19 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2kss h PRO 105 CO 0.65 0.37 0.00 -1.91 -0.23 0.00 0.00 178.00 176.88