#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 3.37 -0.71 2.02 1.10 -1.26 -4.96 121.20 120.76 2kss s ILE 22 Ca 0.00 1.16 -0.25 0.00 -0.51 0.00 0.00 60.65 61.05 2kss s ILE 22 Cb 0.00 -3.66 0.05 0.00 0.15 0.00 0.00 42.46 39.01 2kss s ILE 22 CO 0.00 0.12 1.13 -1.58 -2.11 0.00 0.00 174.94 172.50 2kss s GLN 23 N -2.19 3.17 -0.02 3.50 2.00 -1.26 -5.01 119.66 119.85 2kss s GLN 23 Ca 0.55 -0.57 -0.01 0.00 -2.00 0.00 0.00 55.36 53.33 2kss s GLN 23 Cb -0.29 -4.24 -0.04 0.00 0.80 0.00 0.00 33.01 29.25 2kss s GLN 23 CO 0.36 -1.99 0.08 0.16 -0.50 0.00 0.00 175.29 173.41 2kss s ASP 24 N 3.74 5.72 -0.96 6.67 -4.77 -1.26 -5.03 116.67 120.78 2kss s ASP 24 Ca 0.29 0.17 -0.24 0.00 -3.30 0.00 0.00 52.55 49.48 2kss s ASP 24 Cb -0.12 -1.66 0.00 0.00 -1.09 0.00 0.00 42.92 40.05 2kss s ASP 24 CO 0.12 0.29 1.70 -2.16 0.70 0.00 0.00 175.17 175.81 2kss s PRO 25 N -1.64 3.08 0.32 2.11 0.04 -1.26 -4.75 135.00 132.90 2kss s PRO 25 Ca 0.22 -0.71 0.17 0.00 0.04 0.00 0.00 61.00 60.72 2kss s PRO 25 Cb -0.12 -5.21 0.29 0.00 0.04 0.00 0.00 34.50 29.50 2kss s PRO 25 CO 0.13 -2.79 1.55 0.66 0.04 0.00 0.00 177.00 176.59 2kss h SER 26 N 10.54 0.00 -4.00 6.66 4.64 -2.01 -3.44 113.55 125.94 2kss h SER 26 Ca 0.15 0.00 -0.69 0.00 -0.47 0.00 0.00 61.79 60.78 2kss h SER 26 Cb 1.01 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 62.87 2kss h SER 26 CO 1.32 0.42 -0.79 -0.22 -0.87 0.00 0.00 176.83 176.70 2kss s LEU 27 N -6.58 2.68 -0.11 5.97 2.96 -1.26 -5.12 118.68 117.21 2kss s LEU 27 Ca 0.03 -0.30 0.02 0.00 -0.22 0.00 0.00 54.13 53.66 2kss s LEU 27 Cb 0.08 -1.55 -0.01 0.00 0.50 0.00 0.00 46.19 45.21 2kss s LEU 27 CO 0.72 0.30 -0.19 -0.63 -1.32 0.00 0.00 176.35 175.23 2kss s ILE 28 N -0.83 2.53 0.28 6.68 1.01 -1.26 -5.11 121.20 124.50 2kss s ILE 28 Ca 0.13 -0.85 -0.28 0.00 0.00 0.00 0.00 60.65 59.65 2kss s ILE 28 Cb -0.11 -2.02 -0.09 0.00 0.01 0.00 0.00 42.46 40.25 2kss s ILE 28 CO 0.03 0.54 0.94 -0.63 0.00 0.00 0.00 174.94 175.83 2kss s ILE 29 N 0.33 4.13 0.37 2.92 1.09 -1.26 -5.06 121.20 123.72 2kss s ILE 29 Ca -0.15 1.96 0.08 0.00 -1.10 0.00 0.00 60.65 61.44 2kss s ILE 29 Cb -0.17 -4.17 -0.07 0.00 -1.06 0.00 0.00 42.46 36.99 2kss s ILE 29 CO 0.07 0.32 -0.01 0.00 -0.10 0.00 0.00 174.94 175.23 2kss s HIS 31 N -2.62 -0.48 -0.07 0.00 3.76 -1.26 -4.87 115.29 109.75 2kss s HIS 31 Ca 0.35 0.47 -0.30 0.00 -0.15 0.00 0.00 55.06 55.43 2kss s HIS 31 Cb 0.04 -3.11 -0.05 0.00 1.11 0.00 0.00 32.58 30.57 2kss s HIS 31 CO 0.18 -4.73 1.71 0.34 -0.85 0.00 0.00 174.74 171.39 2kss s ASP 32 N -3.51 6.56 0.04 1.40 -1.08 -1.26 -4.96 116.67 113.87 2kss s ASP 32 Ca 0.70 2.19 -0.29 0.00 -0.52 0.00 0.00 52.55 54.63 2kss s ASP 32 Cb -0.10 -2.53 -0.04 0.00 -1.46 0.00 0.00 42.92 38.78 2kss s ASP 32 CO 0.57 -1.02 0.92 -0.69 0.52 0.00 0.00 175.17 175.46 2kss s VAL 33 N 4.41 4.72 0.17 1.11 1.01 -1.26 -4.97 120.40 125.58 2kss s VAL 33 Ca 0.76 1.95 -0.34 0.00 0.00 0.00 0.00 61.98 64.35 2kss s VAL 33 Cb -0.33 -4.27 -0.15 0.00 0.00 0.00 0.00 36.38 31.63 2kss s VAL 33 CO 0.31 0.26 1.40 -0.67 0.00 0.00 0.00 175.10 176.40 2kss n ASP 34 N 3.30 2.35 -0.21 3.32 -0.08 -1.26 -3.83 116.55 120.14 2kss n ASP 34 Ca 0.03 1.12 0.00 0.00 -1.51 0.00 0.00 54.79 54.42 2kss n ASP 34 Cb 0.50 -1.33 0.00 0.00 2.34 0.00 0.00 41.12 42.63 2kss n ASP 34 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2kss n GLY 35 N 2.63 0.87 3.16 0.27 0.00 -1.26 -5.14 105.19 105.72 2kss n GLY 35 Ca 0.16 -0.69 -0.10 0.00 0.00 0.00 0.00 46.02 45.39 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 0.89 -0.07 4.61 0.00 -1.25 -4.99 121.76 118.88 2kss s ALA 36 Ca 0.00 -1.40 -0.19 0.00 0.00 0.00 0.00 51.96 50.37 2kss s ALA 36 Cb 0.00 0.50 -0.15 0.00 0.00 0.00 0.00 23.12 23.48 2kss s ALA 36 CO 0.00 -0.37 0.72 -1.00 0.00 0.00 0.00 175.76 175.10 2kss h PRO 37 N 2.93 -0.16 -4.99 0.00 0.13 -1.95 -3.48 132.00 124.47 2kss h PRO 37 Ca -0.35 0.01 -0.52 0.00 -0.87 0.00 0.00 66.00 64.27 2kss h PRO 37 Cb 1.18 0.04 -0.13 0.00 0.13 0.00 0.00 31.00 32.21 2kss h PRO 37 CO 0.63 0.27 -0.52 0.14 -0.23 0.00 0.00 178.00 178.29 2kss s VAL 38 N -2.96 0.46 0.12 1.56 -7.23 -1.26 -4.96 120.40 106.13 2kss s VAL 38 Ca -0.11 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.09 2kss s VAL 38 Cb -0.00 -2.41 -0.04 0.00 0.56 0.00 0.00 36.38 34.49 2kss s VAL 38 CO 0.42 0.00 0.16 -0.60 -0.31 0.00 0.00 175.10 174.77 2kss s ARG 39 N -3.68 3.08 0.33 4.82 3.52 -1.26 -4.98 118.95 120.77 2kss s ARG 39 Ca 0.29 -0.69 -0.29 0.00 -0.13 0.00 0.00 55.73 54.90 2kss s ARG 39 Cb 0.03 -2.79 -0.11 0.00 -1.56 0.00 0.00 34.95 30.52 2kss s ARG 39 CO 0.17 0.54 1.43 0.42 -0.81 0.00 0.00 175.30 177.05 2kss s ILE 40 N -1.59 2.39 0.00 4.11 -1.09 -1.26 -1.56 121.20 122.20 2kss s ILE 40 Ca 0.32 0.37 0.00 0.00 -2.23 0.00 0.00 60.65 59.11 2kss s ILE 40 Cb -0.11 -3.23 0.00 0.00 -1.58 0.00 0.00 42.46 37.53 2kss s ILE 40 CO 0.25 0.08 0.00 0.61 -1.23 0.00 0.00 174.94 174.64 2kss n GLY 41 N 1.12 0.67 3.77 6.18 0.00 -1.24 -5.01 105.19 110.68 2kss n GLY 41 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.70 3.44 -0.27 4.61 0.00 -0.60 -4.88 121.76 121.36 2kss s ALA 42 Ca 0.00 0.25 -0.16 0.00 0.00 0.00 0.00 51.96 52.05 2kss s ALA 42 Cb 0.00 -2.91 -0.03 0.00 0.00 0.00 0.00 23.12 20.18 2kss s ALA 42 CO 0.00 0.20 0.44 0.21 0.00 0.00 0.00 175.76 176.61 2kss s LYS 43 N -0.61 4.03 0.44 0.00 2.20 -1.26 -1.76 119.74 122.78 2kss s LYS 43 Ca 0.35 0.15 0.07 0.00 -0.36 0.00 0.00 55.97 56.19 2kss s LYS 43 Cb -0.21 -3.66 -0.03 0.00 -1.51 0.00 0.00 37.83 32.42 2kss s LYS 43 CO 0.23 -0.32 0.26 0.14 -0.36 0.00 0.00 175.35 175.30 2kss s VAL 44 N 2.18 2.21 -0.17 4.02 -7.23 0.03 -3.68 120.40 117.77 2kss s VAL 44 Ca 0.18 -1.60 0.01 0.00 -1.81 0.00 0.00 61.98 58.76 2kss s VAL 44 Cb -0.16 -2.80 0.02 0.00 0.56 0.00 0.00 36.38 34.00 2kss s VAL 44 CO 0.10 0.00 -0.20 -0.75 -0.31 0.00 0.00 175.10 173.93 2kss s LYS 45 N -4.02 2.97 -0.19 4.82 2.20 -1.20 -2.49 119.74 121.83 2kss s LYS 45 Ca 0.40 -0.83 -0.29 0.00 -0.36 0.00 0.00 55.97 54.89 2kss s LYS 45 Cb 0.01 -2.51 -0.04 0.00 -1.51 0.00 0.00 37.83 33.78 2kss s LYS 45 CO 0.23 -0.15 1.81 0.08 -0.36 0.00 0.00 175.35 176.96 2kss s VAL 46 N 1.15 3.42 0.40 4.02 1.01 -1.14 -3.97 120.40 125.29 2kss s VAL 46 Ca 0.01 0.47 -0.27 0.00 0.00 0.00 0.00 61.98 62.19 2kss s VAL 46 Cb -0.14 -3.45 -0.10 0.00 0.00 0.00 0.00 36.38 32.69 2kss s VAL 46 CO -0.10 -0.20 1.48 0.54 0.00 0.00 0.00 175.10 176.83 2kss s VAL 47 N 5.87 2.00 -0.08 2.92 0.11 -1.26 -3.97 120.40 125.99 2kss s VAL 47 Ca 0.81 0.00 -0.27 0.00 -2.93 0.00 0.00 61.98 59.59 2kss s VAL 47 Cb -0.29 -3.00 -0.23 0.00 -1.53 0.00 0.00 36.38 31.32 2kss s VAL 47 CO 0.33 0.00 1.02 1.55 -3.33 0.00 0.00 175.10 174.67 2kss h PRO 48 N 2.80 0.02 -7.06 1.54 0.13 -1.93 -3.44 132.00 124.05 2kss h PRO 48 Ca -0.51 -0.02 -0.46 0.00 -0.87 0.00 0.00 66.00 64.14 2kss h PRO 48 Cb 1.25 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.40 2kss h PRO 48 CO 0.63 0.76 0.38 -1.58 -0.23 0.00 0.00 178.00 177.96 2kss s HIS 49 N -3.23 3.10 0.04 1.56 2.46 -1.26 -4.98 115.29 112.99 2kss s HIS 49 Ca -0.17 1.59 -0.14 0.00 0.47 0.00 0.00 55.06 56.81 2kss s HIS 49 Cb -0.01 -3.02 -0.06 0.00 -0.13 0.00 0.00 32.58 29.37 2kss s HIS 49 CO 0.69 -0.63 0.44 0.45 -2.47 0.00 0.00 174.74 173.21 2kss s SER 50 N -1.98 6.79 -0.21 9.88 0.15 -1.26 -4.99 113.70 122.08 2kss s SER 50 Ca 0.65 0.96 -0.00 0.00 0.70 0.00 0.00 55.95 58.26 2kss s SER 50 Cb -0.15 -2.25 -0.13 0.00 -1.71 0.00 0.00 66.02 61.78 2kss s SER 50 CO 0.19 0.26 -0.20 -0.62 1.20 0.00 0.00 173.24 174.07 2kss n GLU 51 N 1.47 0.52 -0.07 5.44 4.71 -1.26 -4.77 120.64 126.68 2kss n GLU 51 Ca -0.11 0.13 -0.06 0.00 -0.01 0.00 0.00 57.16 57.12 2kss n GLU 51 Cb 0.52 -1.40 -0.02 0.00 -1.01 0.00 0.00 31.44 29.53 2kss n GLU 51 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 2kss n ASP 52 N -3.24 1.81 0.00 1.62 4.64 -1.26 -5.04 116.55 115.08 2kss n ASP 52 Ca -0.38 0.62 0.00 0.00 -1.38 0.00 0.00 54.79 53.65 2kss n ASP 52 Cb 0.89 -0.87 0.00 0.00 -1.04 0.00 0.00 41.12 40.09 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 1.60 1.32 3.74 0.27 0.00 -1.26 -5.13 105.19 105.73 2kss n GLY 53 Ca -0.09 -0.10 -0.39 0.00 0.00 0.00 0.00 46.02 45.44 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 4.99 0.15 2.61 -1.32 -1.26 -4.97 115.64 115.84 2kss s THR 54 Ca 0.00 1.29 -0.14 0.00 -1.21 0.00 0.00 61.69 61.64 2kss s THR 54 Cb 0.00 -3.96 0.02 0.00 -1.51 0.00 0.00 72.50 67.04 2kss s THR 54 CO 0.00 0.34 0.39 -0.63 -2.21 0.00 0.00 174.62 172.51 2kss s ILE 55 N 0.28 0.06 -0.28 5.08 -1.09 -1.26 -4.84 121.20 119.15 2kss s ILE 55 Ca 0.33 -0.93 -0.09 0.00 -2.23 0.00 0.00 60.65 57.73 2kss s ILE 55 Cb -0.18 -1.50 -0.02 0.00 -1.58 0.00 0.00 42.46 39.18 2kss s ILE 55 CO 0.17 -0.28 0.12 -0.55 -1.23 0.00 0.00 174.94 173.16 2kss s SER 56 N -2.88 5.42 0.30 3.58 0.15 -1.26 -4.95 113.70 114.06 2kss s SER 56 Ca 0.09 -0.33 0.13 0.00 0.70 0.00 0.00 55.95 56.54 2kss s SER 56 Cb 0.02 -1.98 0.45 0.00 -1.71 0.00 0.00 66.02 62.80 2kss s SER 56 CO -0.06 -0.11 1.65 -0.61 1.20 0.00 0.00 173.24 175.31 2kss h GLN 57 N 8.30 0.00 -0.03 5.44 4.15 -1.97 0.24 115.11 131.24 2kss h GLN 57 Ca -0.35 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.06 2kss h GLN 57 Cb 1.16 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.85 2kss h GLN 57 CO 0.59 0.55 -0.02 -0.09 -1.93 0.00 0.00 178.83 177.93 2kss h ARG 58 N 0.00 0.07 0.00 1.69 2.43 -2.03 -3.11 114.38 113.43 2kss h ARG 58 Ca -0.01 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2kss h ARG 58 Cb 1.04 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.58 2kss h ARG 58 CO 0.07 0.50 0.00 0.74 -1.51 0.00 0.00 179.97 179.77 2kss h PHE 59 N -0.36 0.00 -0.37 2.20 0.04 -1.98 -3.44 116.94 113.03 2kss h PHE 59 Ca 0.01 0.00 -0.27 0.00 2.80 0.00 0.00 57.97 60.51 2kss h PHE 59 Cb 0.48 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.58 2kss h PHE 59 CO 0.08 0.00 1.21 -0.11 -0.60 0.00 0.00 178.31 178.89 2kss n LEU 60 N -3.05 0.54 0.00 1.54 0.00 0.82 0.05 117.00 116.90 2kss n LEU 60 Ca 0.03 -0.77 0.00 0.00 0.00 0.00 0.00 56.01 55.27 2kss n LEU 60 Cb 0.49 -1.16 0.00 0.00 0.00 0.00 0.00 43.42 42.75 2kss n LEU 60 CO 0.33 -1.78 0.00 0.61 0.00 0.00 0.00 177.39 176.54 2kss n GLY 61 N 6.20 0.98 2.54 -3.96 0.00 -1.25 -4.98 105.19 104.71 2kss n GLY 61 Ca 0.55 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.40 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 0.00 0.54 -3.54 1.61 3.00 0.11 -5.07 117.38 114.02 2kss n GLN 62 Ca 0.00 -2.62 -0.12 0.00 -0.01 0.00 0.00 57.00 54.25 2kss n GLN 62 Cb 0.00 1.67 -0.11 0.00 0.00 0.00 0.00 30.24 31.81 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 -2.84 -0.52 0.28 5.09 2.01 -1.26 -2.89 115.64 115.51 2kss s THR 63 Ca 0.21 0.08 0.02 0.00 0.31 0.00 0.00 61.69 62.31 2kss s THR 63 Cb 0.01 -0.65 -0.01 0.00 0.01 0.00 0.00 72.50 71.87 2kss s THR 63 CO 0.15 -0.02 0.07 0.61 -0.69 0.00 0.00 174.62 174.74 2kss n GLY 64 N 5.36 3.61 3.57 4.40 0.00 -1.04 -4.48 105.19 116.61 2kss n GLY 64 Ca -0.06 -2.12 -0.29 0.00 0.00 0.00 0.00 46.02 43.55 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 -2.44 3.28 -0.44 -0.61 1.01 -1.10 -0.79 121.20 120.11 2kss s ILE 65 Ca 0.10 -1.36 -0.29 0.00 0.00 0.00 0.00 60.65 59.10 2kss s ILE 65 Cb 0.00 -2.54 0.02 0.00 0.01 0.00 0.00 42.46 39.95 2kss s ILE 65 CO 0.07 0.08 1.27 -0.69 0.00 0.00 0.00 174.94 175.67 2kss s VAL 66 N -1.28 4.07 0.10 2.92 1.01 -0.72 -2.11 120.40 124.39 2kss s VAL 66 Ca 0.21 1.10 -0.05 0.00 0.00 0.00 0.00 61.98 63.24 2kss s VAL 66 Cb -0.11 -4.40 -0.24 0.00 0.00 0.00 0.00 36.38 31.64 2kss s VAL 66 CO 0.14 -0.86 1.21 0.58 0.00 0.00 0.00 175.10 176.17 2kss h VAL 67 N 6.32 1.43 -4.02 2.92 2.07 -1.62 -3.29 116.25 120.07 2kss h VAL 67 Ca -0.25 -2.71 -0.42 0.00 0.82 0.00 0.00 66.70 64.14 2kss h VAL 67 Cb 1.08 2.67 -0.24 0.00 -1.52 0.00 0.00 31.29 33.28 2kss h VAL 67 CO 1.10 0.80 -0.79 -0.83 0.02 0.00 0.00 177.57 177.88 2kss s GLY 68 N -4.52 0.74 0.15 2.17 0.00 -1.26 -4.91 107.32 99.69 2kss s GLY 68 Ca -0.05 -0.80 0.07 0.00 0.00 0.00 0.00 44.72 43.94 2kss s GLY 68 CO 0.88 -0.78 -0.03 -2.27 0.00 0.00 0.00 173.10 170.90 2kss s LEU 69 N -1.15 3.25 -0.59 0.66 0.20 -1.26 -3.17 118.68 116.62 2kss s LEU 69 Ca 0.00 -0.38 -0.26 0.00 0.69 0.00 0.00 54.13 54.18 2kss s LEU 69 Cb -0.08 -1.95 0.04 0.00 -0.43 0.00 0.00 46.19 43.77 2kss s LEU 69 CO 0.01 0.12 1.10 0.68 -0.29 0.00 0.00 176.35 177.97 2kss s VAL 70 N -1.57 4.13 0.24 1.68 -7.23 -1.26 -4.25 120.40 112.14 2kss s VAL 70 Ca 0.26 0.57 0.01 0.00 -1.81 0.00 0.00 61.98 61.01 2kss s VAL 70 Cb -0.10 -4.68 -0.05 0.00 0.56 0.00 0.00 36.38 32.11 2kss s VAL 70 CO 0.17 -1.32 0.08 -0.36 -0.31 0.00 0.00 175.10 173.36 2kss s PHE 71 N 4.64 1.48 -0.64 2.82 0.08 -1.26 -4.83 117.98 120.27 2kss s PHE 71 Ca 0.37 -1.16 -0.38 0.00 0.12 0.00 0.00 56.93 55.88 2kss s PHE 71 Cb -0.10 -0.86 -0.18 0.00 -0.57 0.00 0.00 43.02 41.31 2kss s PHE 71 CO 0.21 -0.32 2.34 -0.25 -0.10 0.00 0.00 175.22 177.10 2kss n ASP 72 N -0.42 0.88 -4.63 1.36 9.92 -1.26 -4.80 116.55 117.60 2kss n ASP 72 Ca -0.01 0.43 -0.43 0.00 -0.53 0.00 0.00 54.79 54.25 2kss n ASP 72 Cb 0.66 -0.99 -0.02 0.00 -0.64 0.00 0.00 41.12 40.12 2kss n ASP 72 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 2kss s ASP 73 N 7.43 6.60 0.35 -2.24 -0.00 -1.26 -4.71 116.67 122.84 2kss s ASP 73 Ca 1.23 1.16 0.00 0.00 -0.00 0.00 0.00 52.55 54.94 2kss s ASP 73 Cb -1.27 -2.54 0.00 0.00 -0.00 0.00 0.00 42.92 39.11 2kss s ASP 73 CO 0.56 -1.15 0.00 -0.81 -0.00 0.00 0.00 175.17 173.78 2kss n PRO 74 N 7.46 0.46 0.00 8.23 -0.04 -1.26 -4.81 135.00 145.04 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 0.83 0.00 -0.04 0.00 0.00 33.50 34.76 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 2.56 -0.47 0.55 0.00 -1.26 -2.77 120.51 116.12 2kss n ALA 75 Ca 0.00 -0.16 0.01 0.00 0.00 0.00 0.00 53.44 53.28 2kss n ALA 75 Cb 0.00 -1.50 0.01 0.00 0.00 0.00 0.00 19.45 17.96 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 -1.17 0.70 -1.64 0.00 5.66 -1.26 -5.12 114.28 111.45 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 0.19 0.61 0.00 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 -0.38 -4.34 -3.51 1.09 6.02 -1.11 -5.05 117.38 110.09 2kss n GLN 77 Ca 0.01 3.35 -0.13 0.00 -0.01 0.00 0.00 57.00 60.23 2kss n GLN 77 Cb 0.37 -4.14 -0.04 0.00 1.02 0.00 0.00 30.24 27.45 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 -5.24 -0.49 -0.06 1.08 6.14 -1.26 -4.69 117.35 112.82 2kss s TYR 78 Ca 0.00 0.64 -0.14 0.00 0.64 0.00 0.00 57.07 58.21 2kss s TYR 78 Cb 0.00 0.48 -0.09 0.00 0.42 0.00 0.00 41.96 42.76 2kss s TYR 78 CO 0.00 -0.56 0.54 -1.00 0.64 0.00 0.00 175.55 175.16 2kss h PRO 79 N 2.47 -0.27 0.00 4.97 0.13 -1.92 -3.40 132.00 133.99 2kss h PRO 79 Ca -0.25 0.02 -0.07 0.00 -0.87 0.00 0.00 66.00 64.83 2kss h PRO 79 Cb 1.20 0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 2kss h PRO 79 CO 0.35 -0.02 -1.31 -0.25 -0.23 0.00 0.00 178.00 176.55 2kss n ASP 80 N -4.95 3.84 -4.23 1.44 8.00 -1.26 -5.05 116.55 114.33 2kss n ASP 80 Ca -0.05 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.31 2kss n ASP 80 Cb 0.19 0.73 -0.10 0.00 -0.02 0.00 0.00 41.12 41.92 2kss n ASP 80 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 2kss s ASP 81 N -3.39 1.66 0.22 -2.24 1.11 -1.26 -5.05 116.67 107.73 2kss s ASP 81 Ca -0.02 -1.01 0.09 0.00 0.18 0.00 0.00 52.55 51.78 2kss s ASP 81 Cb 0.02 0.01 0.16 0.00 1.07 0.00 0.00 42.92 44.18 2kss s ASP 81 CO 0.20 -0.36 1.50 1.55 1.18 0.00 0.00 175.17 179.23 2kss h PRO 82 N 2.81 0.00 -5.24 8.23 0.13 -1.91 -3.39 132.00 132.64 2kss h PRO 82 Ca -0.36 -0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.14 2kss h PRO 82 Cb 1.19 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.19 2kss h PRO 82 CO 0.64 0.75 -0.54 -0.48 -0.23 0.00 0.00 178.00 178.14 2kss s LEU 83 N -7.31 2.30 0.38 1.56 2.34 -1.26 -4.50 118.68 112.18 2kss s LEU 83 Ca -0.01 -1.58 -0.25 0.00 0.06 0.00 0.00 54.13 52.35 2kss s LEU 83 Cb 0.12 -0.56 -0.09 0.00 -0.56 0.00 0.00 46.19 45.09 2kss s LEU 83 CO 0.78 -0.78 1.06 0.27 -1.06 0.00 0.00 176.35 176.62 2kss s ILE 84 N -2.98 3.68 -0.02 1.48 -4.36 -1.26 -4.58 121.20 113.17 2kss s ILE 84 Ca 0.18 1.36 0.01 0.00 -0.26 0.00 0.00 60.65 61.94 2kss s ILE 84 Cb 0.04 -3.74 0.01 0.00 1.25 0.00 0.00 42.46 40.03 2kss s ILE 84 CO 0.10 0.07 -0.03 0.00 0.24 0.00 0.00 174.94 175.33 2kss s GLN 85 N -2.30 0.41 -0.15 0.37 -2.07 -1.19 -2.15 119.66 112.58 2kss s GLN 85 Ca 0.55 -0.05 -0.05 0.00 -1.82 0.00 0.00 55.36 53.99 2kss s GLN 85 Cb -0.24 -0.47 -0.04 0.00 -1.09 0.00 0.00 33.01 31.18 2kss s GLN 85 CO 0.30 -0.03 0.03 0.08 -1.32 0.00 0.00 175.29 174.35 2kss s VAL 86 N 0.50 4.50 -0.19 3.63 1.01 -0.61 -1.48 120.40 127.76 2kss s VAL 86 Ca -0.05 -0.15 -0.00 0.00 0.00 0.00 0.00 61.98 61.77 2kss s VAL 86 Cb -0.08 -2.98 0.01 0.00 0.00 0.00 0.00 36.38 33.33 2kss s VAL 86 CO -0.01 0.52 -0.15 -0.22 0.00 0.00 0.00 175.10 175.24 2kss s LEU 87 N -0.05 2.38 0.45 3.92 0.20 -0.90 -2.27 118.68 122.41 2kss s LEU 87 Ca 0.05 -0.59 -0.17 0.00 0.69 0.00 0.00 54.13 54.10 2kss s LEU 87 Cb -0.12 -1.55 -0.09 0.00 -0.43 0.00 0.00 46.19 43.99 2kss s LEU 87 CO 0.02 -0.01 0.91 -0.69 -0.29 0.00 0.00 176.35 176.29 2kss s VAL 88 N 1.34 4.54 -0.19 1.68 1.01 -0.96 -2.71 120.40 125.11 2kss s VAL 88 Ca 0.05 1.19 -0.29 0.00 0.00 0.00 0.00 61.98 62.93 2kss s VAL 88 Cb -0.13 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 2kss s VAL 88 CO -0.10 -0.48 1.51 -0.70 0.00 0.00 0.00 175.10 175.33 2kss s GLU 89 N -3.60 3.98 0.00 2.72 2.56 -1.26 -2.00 118.70 121.09 2kss s GLU 89 Ca 0.58 1.71 0.00 0.00 0.00 0.00 0.00 54.97 57.26 2kss s GLU 89 Cb -0.10 -3.95 0.00 0.00 2.00 0.00 0.00 34.13 32.09 2kss s GLU 89 CO 0.23 -1.06 0.00 0.41 -0.56 0.00 0.00 175.26 174.29 2kss n GLY 90 N 4.29 2.42 0.00 -1.50 0.00 -1.26 -4.98 105.19 104.15 2kss n GLY 90 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.85 -5.14 117.00 116.32 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 -0.33 0.00 0.61 -1.22 0.00 0.00 177.39 176.45 2kss n GLY 92 N 5.00 1.15 2.96 -0.72 0.00 -1.26 -4.61 105.19 107.70 2kss n GLY 92 Ca 0.00 -1.92 -0.17 0.00 0.00 0.00 0.00 46.02 43.93 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 2.14 0.53 0.22 1.61 -1.05 -1.26 -2.27 118.70 118.62 2kss s GLU 93 Ca 0.00 -0.19 0.03 0.00 -0.15 0.00 0.00 54.97 54.66 2kss s GLU 93 Cb 0.00 -0.53 -0.05 0.00 -0.44 0.00 0.00 34.13 33.11 2kss s GLU 93 CO 0.00 0.09 0.01 0.34 0.95 0.00 0.00 175.26 176.65 2kss s ASP 94 N 0.05 1.60 -0.23 0.83 -1.08 -0.96 -4.99 116.67 111.89 2kss s ASP 94 Ca -0.00 -1.22 -0.09 0.00 -0.52 0.00 0.00 52.55 50.71 2kss s ASP 94 Cb -0.05 0.05 -0.04 0.00 -1.46 0.00 0.00 42.92 41.43 2kss s ASP 94 CO -0.00 -0.55 0.12 -0.76 0.52 0.00 0.00 175.17 174.50 2kss s LEU 95 N -3.27 3.88 0.36 -1.34 2.01 -1.26 -1.58 118.68 117.48 2kss s LEU 95 Ca 0.28 0.02 0.08 0.00 0.01 0.00 0.00 54.13 54.52 2kss s LEU 95 Cb 0.06 -2.03 -0.07 0.00 0.01 0.00 0.00 46.19 44.16 2kss s LEU 95 CO 0.08 0.06 -0.05 -0.36 1.01 0.00 0.00 176.35 177.08 2kss s PHE 96 N 1.10 2.36 0.30 0.29 0.08 -0.91 -5.00 117.98 116.20 2kss s PHE 96 Ca 0.06 -0.60 -0.00 0.00 0.12 0.00 0.00 56.93 56.51 2kss s PHE 96 Cb -0.14 -1.46 -0.04 0.00 -0.57 0.00 0.00 43.02 40.81 2kss s PHE 96 CO 0.04 0.48 0.50 -0.06 -0.10 0.00 0.00 175.22 176.09 2kss s PHE 97 N -2.72 3.49 -0.55 0.36 0.08 -1.26 -4.22 117.98 113.17 2kss s PHE 97 Ca 0.33 0.36 0.25 0.00 0.12 0.00 0.00 56.93 58.00 2kss s PHE 97 Cb 0.05 -1.89 0.90 0.00 -0.57 0.00 0.00 43.02 41.51 2kss s PHE 97 CO 0.16 0.21 1.75 -1.00 -0.10 0.00 0.00 175.22 176.24 2kss h PRO 98 N 1.19 0.00 -0.01 0.24 0.13 -1.96 -2.58 132.00 129.00 2kss h PRO 98 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 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 0.63 0.00 -0.55 -0.85 -0.23 0.00 0.00 178.00 177.01 2kss n GLU 99 N -2.36 0.98 -0.03 0.86 0.28 -1.26 -4.52 120.64 114.60 2kss n GLU 99 Ca 0.04 -0.80 -0.01 0.00 -0.16 0.00 0.00 57.16 56.22 2kss n GLU 99 Cb 0.34 -1.48 -0.00 0.00 1.43 0.00 0.00 31.44 31.72 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 1.95 0.00 -6.45 3.44 4.39 -1.86 -3.47 114.58 112.59 2kss h GLU 100 Ca 0.00 0.00 -0.45 0.00 0.34 0.00 0.00 59.36 59.25 2kss h GLU 100 Cb 0.70 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.36 2kss h GLU 100 CO 0.00 0.00 -0.26 -0.48 -1.16 0.00 0.00 179.01 177.11 2kss s LEU 101 N -6.09 3.92 0.31 1.33 0.05 -1.16 -4.57 118.68 112.48 2kss s LEU 101 Ca -0.05 0.07 0.05 0.00 0.05 0.00 0.00 54.13 54.25 2kss s LEU 101 Cb 0.01 -2.96 -0.06 0.00 -2.05 0.00 0.00 46.19 41.12 2kss s LEU 101 CO 0.07 -0.45 0.02 -1.83 -0.55 0.00 0.00 176.35 173.60 2kss s GLU 102 N -4.29 1.63 -0.18 1.48 -1.05 -1.25 -4.75 118.70 110.28 2kss s GLU 102 Ca 0.44 -1.88 -0.29 0.00 -0.15 0.00 0.00 54.97 53.09 2kss s GLU 102 Cb -0.10 -0.99 -0.01 0.00 -0.44 0.00 0.00 34.13 32.60 2kss s GLU 102 CO 0.34 -0.11 1.15 -1.17 0.95 0.00 0.00 175.26 176.42 2kss s LEU 103 N -3.48 4.16 0.63 1.83 0.20 -1.26 -3.27 118.68 117.48 2kss s LEU 103 Ca 0.34 1.56 -0.18 0.00 0.69 0.00 0.00 54.13 56.55 2kss s LEU 103 Cb 0.07 -3.54 -0.05 0.00 -0.43 0.00 0.00 46.19 42.24 2kss s LEU 103 CO 0.14 -0.69 0.72 0.00 -0.29 0.00 0.00 176.35 176.23 2kss n ALA 104 N 6.31 -0.66 0.03 5.97 0.00 -1.24 -4.94 120.51 125.97 2kss n ALA 104 Ca 0.13 -0.07 -0.09 0.00 0.00 0.00 0.00 53.44 53.40 2kss n ALA 104 Cb 0.46 -1.96 -0.07 0.00 0.00 0.00 0.00 19.45 17.88 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 0.15 -0.16 0.00 0.00 0.13 -1.94 -3.50 132.00 126.69 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 1.37 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.54 2kss h PRO 105 CO 0.47 0.28 0.00 0.39 -0.23 0.00 0.00 178.00 178.91