#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 5.17 0.00 2.02 1.10 -1.26 -4.76 121.20 123.47 2kss s ILE 22 Ca 0.00 -0.23 0.00 0.00 -0.51 0.00 0.00 60.65 59.91 2kss s ILE 22 Cb 0.00 -3.71 0.00 0.00 0.15 0.00 0.00 42.46 38.90 2kss s ILE 22 CO 0.00 -0.15 0.00 1.67 -2.11 0.00 0.00 174.94 174.35 2kss n GLN 23 N -0.56 0.00 -4.27 3.50 -0.06 -1.26 -4.81 117.38 109.92 2kss n GLN 23 Ca -0.04 0.00 -0.26 0.00 -2.00 0.00 0.00 57.00 54.70 2kss n GLN 23 Cb 0.53 0.00 -0.09 0.00 -4.06 0.00 0.00 30.24 26.63 2kss n GLN 23 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 2kss s ASP 24 N 0.00 4.41 0.08 1.69 1.01 -1.26 -5.01 116.67 117.60 2kss s ASP 24 Ca 0.00 -0.54 0.23 0.00 0.71 0.00 0.00 52.55 52.94 2kss s ASP 24 Cb 0.00 -0.81 0.92 0.00 1.01 0.00 0.00 42.92 44.05 2kss s ASP 24 CO 0.00 0.09 1.72 -0.81 0.21 0.00 0.00 175.17 176.37 2kss n PRO 25 N -0.12 0.08 -0.13 8.23 -0.04 -1.26 -3.18 135.00 138.58 2kss n PRO 25 Ca -0.10 0.19 0.25 0.00 -0.04 0.00 0.00 63.50 63.81 2kss n PRO 25 Cb 0.56 -1.62 0.69 0.00 -0.04 0.00 0.00 33.50 33.09 2kss n PRO 25 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2kss h SER 26 N 0.00 0.04 0.00 3.54 4.64 -1.96 -3.41 113.55 116.40 2kss h SER 26 Ca 0.00 0.00 -0.69 0.00 -0.47 0.00 0.00 61.79 60.64 2kss h SER 26 Cb 0.44 -0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.47 2kss h SER 26 CO 0.00 0.02 1.45 0.18 -0.87 0.00 0.00 176.83 177.61 2kss n LEU 27 N -4.32 0.61 -4.73 5.97 4.32 -1.19 -4.82 117.00 112.83 2kss n LEU 27 Ca 0.16 0.53 -0.41 0.00 -0.02 0.00 0.00 56.01 56.26 2kss n LEU 27 Cb 0.83 -0.91 -0.04 0.00 -1.62 0.00 0.00 43.42 41.68 2kss n LEU 27 CO 0.38 -0.75 0.73 0.27 -1.22 0.00 0.00 177.39 176.79 2kss s ILE 28 N 6.92 4.30 -0.03 -0.08 -4.36 -1.26 -5.04 121.20 121.64 2kss s ILE 28 Ca 1.25 1.86 0.04 0.00 -0.26 0.00 0.00 60.65 63.54 2kss s ILE 28 Cb -1.42 -4.19 -0.01 0.00 1.25 0.00 0.00 42.46 38.09 2kss s ILE 28 CO 0.61 0.26 -0.16 -0.51 0.24 0.00 0.00 174.94 175.37 2kss s ILE 29 N 0.18 1.34 -0.09 8.37 2.07 -1.26 -5.13 121.20 126.68 2kss s ILE 29 Ca 0.50 -0.69 -0.01 0.00 -1.41 0.00 0.00 60.65 59.04 2kss s ILE 29 Cb -0.26 -1.14 -0.03 0.00 0.13 0.00 0.00 42.46 41.16 2kss s ILE 29 CO 0.31 0.39 -0.03 0.00 -1.91 0.00 0.00 174.94 173.70 2kss s HIS 31 N -0.73 0.36 0.28 0.00 3.76 -1.26 -4.96 115.29 112.74 2kss s HIS 31 Ca 0.11 0.36 -0.29 0.00 -0.15 0.00 0.00 55.06 55.09 2kss s HIS 31 Cb -0.11 -3.64 -0.10 0.00 1.11 0.00 0.00 32.58 29.84 2kss s HIS 31 CO 0.02 -3.85 1.34 0.34 -0.85 0.00 0.00 174.74 171.74 2kss s ASP 32 N -4.18 6.77 -0.06 1.40 2.15 -1.26 -5.01 116.67 116.48 2kss s ASP 32 Ca 0.73 2.62 -0.01 0.00 0.43 0.00 0.00 52.55 56.32 2kss s ASP 32 Cb -0.07 -2.63 -0.03 0.00 -0.30 0.00 0.00 42.92 39.89 2kss s ASP 32 CO 0.55 -0.57 0.02 -0.69 -0.17 0.00 0.00 175.17 174.31 2kss s VAL 33 N -0.60 4.39 -0.04 1.11 1.01 -1.26 -5.05 120.40 119.96 2kss s VAL 33 Ca 0.53 -0.30 -0.30 0.00 0.00 0.00 0.00 61.98 61.91 2kss s VAL 33 Cb -0.40 -2.88 -0.07 0.00 0.00 0.00 0.00 36.38 33.03 2kss s VAL 33 CO 0.47 0.54 1.79 -1.81 0.00 0.00 0.00 175.10 176.09 2kss s ASP 34 N -1.10 6.51 0.00 3.32 1.01 -1.26 -4.12 116.67 121.04 2kss s ASP 34 Ca 0.15 2.33 0.00 0.00 0.71 0.00 0.00 52.55 55.75 2kss s ASP 34 Cb -0.11 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.28 2kss s ASP 34 CO 0.05 -1.04 0.00 0.61 0.21 0.00 0.00 175.17 175.00 2kss n GLY 35 N 4.39 0.61 3.16 0.21 0.00 -1.26 -5.14 105.19 107.15 2kss n GLY 35 Ca 0.19 -0.75 -0.08 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.56 0.14 -0.07 4.61 0.00 -1.26 -4.91 121.76 119.71 2kss s ALA 36 Ca 0.00 -0.91 -0.15 0.00 0.00 0.00 0.00 51.96 50.89 2kss s ALA 36 Cb 0.00 0.42 -0.11 0.00 0.00 0.00 0.00 23.12 23.43 2kss s ALA 36 CO 0.00 -0.45 0.58 -1.00 0.00 0.00 0.00 175.76 174.89 2kss h PRO 37 N 2.92 -0.22 -4.96 0.00 0.13 -1.95 -3.48 132.00 124.44 2kss h PRO 37 Ca -0.34 0.02 -0.46 0.00 -0.87 0.00 0.00 66.00 64.34 2kss h PRO 37 Cb 1.17 0.05 -0.14 0.00 0.13 0.00 0.00 31.00 32.22 2kss h PRO 37 CO 0.60 0.09 -0.55 0.14 -0.23 0.00 0.00 178.00 178.05 2kss s VAL 38 N -2.82 0.46 0.52 1.56 -7.23 -1.26 -4.90 120.40 106.72 2kss s VAL 38 Ca -0.09 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.10 2kss s VAL 38 Cb 0.00 -2.49 0.02 0.00 0.56 0.00 0.00 36.38 34.47 2kss s VAL 38 CO 0.32 0.00 0.74 -0.60 -0.31 0.00 0.00 175.10 175.25 2kss s ARG 39 N -3.77 2.67 0.30 4.82 3.52 -1.26 -4.95 118.95 120.27 2kss s ARG 39 Ca 0.33 -0.75 -0.28 0.00 -0.13 0.00 0.00 55.73 54.89 2kss s ARG 39 Cb 0.04 -2.52 -0.09 0.00 -1.56 0.00 0.00 34.95 30.82 2kss s ARG 39 CO 0.17 -0.59 1.07 0.42 -0.81 0.00 0.00 175.30 175.56 2kss s ILE 40 N -2.69 3.60 0.00 4.11 -1.09 -1.26 -2.68 121.20 121.18 2kss s ILE 40 Ca 0.55 1.53 0.00 0.00 -2.23 0.00 0.00 60.65 60.51 2kss s ILE 40 Cb -0.10 -3.95 0.00 0.00 -1.58 0.00 0.00 42.46 36.83 2kss s ILE 40 CO 0.38 0.31 0.00 0.61 -1.23 0.00 0.00 174.94 175.01 2kss n GLY 41 N 1.07 0.29 3.76 6.18 0.00 -1.16 -4.96 105.19 110.36 2kss n GLY 41 Ca -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.72 3.39 -0.31 4.61 0.00 -1.09 -4.81 121.76 121.83 2kss s ALA 42 Ca 0.00 0.85 -0.18 0.00 0.00 0.00 0.00 51.96 52.63 2kss s ALA 42 Cb 0.00 -3.31 -0.01 0.00 0.00 0.00 0.00 23.12 19.80 2kss s ALA 42 CO 0.00 -0.09 0.50 0.21 0.00 0.00 0.00 175.76 176.37 2kss s LYS 43 N -1.36 3.80 0.43 0.00 2.20 -1.26 -2.63 119.74 120.92 2kss s LYS 43 Ca 0.44 0.01 0.06 0.00 -0.36 0.00 0.00 55.97 56.12 2kss s LYS 43 Cb -0.31 -3.74 -0.05 0.00 -1.51 0.00 0.00 37.83 32.22 2kss s LYS 43 CO 0.39 -0.52 0.12 0.14 -0.36 0.00 0.00 175.35 175.13 2kss s VAL 44 N 2.34 2.01 -0.17 4.02 -7.23 -0.24 -3.66 120.40 117.47 2kss s VAL 44 Ca 0.19 -1.81 0.00 0.00 -1.81 0.00 0.00 61.98 58.55 2kss s VAL 44 Cb -0.16 -2.83 0.01 0.00 0.56 0.00 0.00 36.38 33.97 2kss s VAL 44 CO 0.12 0.00 -0.17 -0.75 -0.31 0.00 0.00 175.10 173.98 2kss s LYS 45 N -3.87 3.10 0.01 4.82 2.20 -1.21 -2.08 119.74 122.70 2kss s LYS 45 Ca 0.34 -0.79 -0.30 0.00 -0.36 0.00 0.00 55.97 54.86 2kss s LYS 45 Cb 0.05 -2.61 -0.07 0.00 -1.51 0.00 0.00 37.83 33.69 2kss s LYS 45 CO 0.19 -0.12 1.62 0.08 -0.36 0.00 0.00 175.35 176.75 2kss s VAL 46 N 1.12 3.36 0.12 4.02 1.01 -0.38 -3.91 120.40 125.73 2kss s VAL 46 Ca 0.00 0.66 -0.31 0.00 0.00 0.00 0.00 61.98 62.33 2kss s VAL 46 Cb -0.14 -3.43 -0.11 0.00 0.00 0.00 0.00 36.38 32.70 2kss s VAL 46 CO -0.07 -0.02 1.83 0.55 0.00 0.00 0.00 175.10 177.38 2kss n VAL 47 N 5.02 0.34 0.00 2.92 3.14 -1.26 -3.88 118.33 124.60 2kss n VAL 47 Ca 0.16 -0.06 -0.18 0.00 -2.96 0.00 0.00 64.34 61.30 2kss n VAL 47 Cb 0.42 -2.09 -0.10 0.00 -1.06 0.00 0.00 33.84 31.01 2kss n VAL 47 CO 0.00 0.00 0.00 1.55 -6.46 0.00 0.00 176.83 171.92 2kss h PRO 48 N 8.38 0.54 -7.07 1.45 0.13 -1.91 -3.43 132.00 130.08 2kss h PRO 48 Ca -0.46 -0.52 -0.52 0.00 -0.87 0.00 0.00 66.00 63.63 2kss h PRO 48 Cb 1.22 0.14 0.09 0.00 0.13 0.00 0.00 31.00 32.58 2kss h PRO 48 CO 0.95 1.15 0.47 -1.58 -0.23 0.00 0.00 178.00 178.76 2kss s HIS 49 N -3.40 2.55 -0.57 1.56 2.46 -1.26 -4.84 115.29 111.78 2kss s HIS 49 Ca -0.12 1.52 -0.04 0.00 0.47 0.00 0.00 55.06 56.88 2kss s HIS 49 Cb 0.05 -3.43 0.15 0.00 -0.13 0.00 0.00 32.58 29.22 2kss s HIS 49 CO 0.85 -1.95 0.39 0.45 -2.47 0.00 0.00 174.74 172.01 2kss s SER 50 N -1.56 5.40 -0.23 9.88 0.15 -1.26 -4.85 113.70 121.22 2kss s SER 50 Ca 0.73 -2.53 -0.04 0.00 0.70 0.00 0.00 55.95 54.80 2kss s SER 50 Cb -0.29 -1.89 -0.13 0.00 -1.71 0.00 0.00 66.02 62.01 2kss s SER 50 CO 0.32 -0.46 -0.25 -0.62 1.20 0.00 0.00 173.24 173.43 2kss n GLU 51 N 3.95 0.53 0.22 5.44 1.02 -1.26 -4.69 120.64 125.86 2kss n GLU 51 Ca 0.04 0.17 -0.09 0.00 -0.02 0.00 0.00 57.16 57.26 2kss n GLU 51 Cb 0.40 -1.40 -0.04 0.00 -0.02 0.00 0.00 31.44 30.37 2kss n GLU 51 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 2kss h ASP 52 N -0.38 -0.49 0.00 1.62 -0.00 -1.96 -3.49 116.42 111.72 2kss h ASP 52 Ca -0.55 0.02 0.00 0.00 -0.00 0.00 0.00 57.03 56.50 2kss h ASP 52 Cb 1.66 0.13 0.00 0.00 -0.00 0.00 0.00 39.33 41.12 2kss h ASP 52 CO -0.21 -0.32 0.00 0.61 -0.00 0.00 0.00 179.24 179.32 2kss n GLY 53 N -0.99 -1.75 3.73 -0.78 0.00 -1.26 -5.12 105.19 99.02 2kss n GLY 53 Ca -0.07 0.59 -0.42 0.00 0.00 0.00 0.00 46.02 46.12 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 3.05 0.10 2.61 -1.32 -1.26 -4.96 115.64 113.86 2kss s THR 54 Ca 0.00 0.81 -0.08 0.00 -1.21 0.00 0.00 61.69 61.21 2kss s THR 54 Cb 0.00 -3.52 -0.01 0.00 -1.51 0.00 0.00 72.50 67.46 2kss s THR 54 CO 0.00 0.10 0.19 -0.63 -2.21 0.00 0.00 174.62 172.06 2kss s ILE 55 N 0.53 0.13 -0.24 5.08 -1.09 -1.26 -5.00 121.20 119.35 2kss s ILE 55 Ca 0.61 -1.31 -0.05 0.00 -2.23 0.00 0.00 60.65 57.67 2kss s ILE 55 Cb -0.39 -1.50 -0.01 0.00 -1.58 0.00 0.00 42.46 38.99 2kss s ILE 55 CO 0.36 -0.59 -0.01 -0.55 -1.23 0.00 0.00 174.94 172.92 2kss s SER 56 N -2.90 4.57 0.04 3.58 0.15 -1.26 -4.95 113.70 112.93 2kss s SER 56 Ca 0.09 -0.42 0.19 0.00 0.70 0.00 0.00 55.95 56.51 2kss s SER 56 Cb 0.05 -1.79 0.81 0.00 -1.71 0.00 0.00 66.02 63.38 2kss s SER 56 CO -0.08 -0.05 1.61 1.67 1.20 0.00 0.00 173.24 177.59 2kss n GLN 57 N 4.82 0.04 -0.08 5.44 7.27 -1.26 -1.89 117.38 131.72 2kss n GLN 57 Ca -0.17 0.21 -0.14 0.00 0.07 0.00 0.00 57.00 56.97 2kss n GLN 57 Cb 0.50 -1.56 -0.10 0.00 2.41 0.00 0.00 30.24 31.49 2kss n GLN 57 CO 0.00 0.00 0.00 -0.09 0.07 0.00 0.00 177.06 177.04 2kss h ARG 58 N 0.00 0.00 -0.05 3.69 2.43 -2.03 -3.32 114.38 115.10 2kss h ARG 58 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2kss h ARG 58 Cb 0.34 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 2kss h ARG 58 CO 0.00 0.81 0.00 1.19 -1.51 0.00 0.00 179.97 180.46 2kss n PHE 59 N -4.57 0.06 -1.48 2.20 3.72 -1.18 -4.84 117.46 111.37 2kss n PHE 59 Ca -0.16 -0.03 -0.48 0.00 -0.05 0.00 0.00 57.45 56.74 2kss n PHE 59 Cb 0.47 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.95 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 -0.45 2.21 -1.73 4.37 7.94 -0.79 0.64 117.00 129.19 2kss n LEU 60 Ca 0.08 0.28 -0.11 0.00 -1.11 0.00 0.00 56.01 55.15 2kss n LEU 60 Cb 0.08 -1.32 0.02 0.00 0.53 0.00 0.00 43.42 42.74 2kss n LEU 60 CO 0.06 -0.80 0.03 0.61 -1.11 0.00 0.00 177.39 176.18 2kss n GLY 61 N 6.39 0.12 3.79 -3.96 0.00 -1.25 -4.99 105.19 105.30 2kss n GLY 61 Ca 0.41 -0.30 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 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 -5.25 2.29 -0.04 1.61 2.00 0.21 -4.99 119.66 115.48 2kss s GLN 62 Ca 0.19 -1.82 0.01 0.00 -2.00 0.00 0.00 55.36 51.74 2kss s GLN 62 Cb -0.08 -2.06 0.02 0.00 0.80 0.00 0.00 33.01 31.68 2kss s GLN 62 CO 0.23 -0.21 -0.06 0.99 -0.50 0.00 0.00 175.29 175.74 2kss s THR 63 N -2.61 0.63 0.07 -0.34 2.01 -1.26 -1.25 115.64 112.90 2kss s THR 63 Ca 0.40 -0.21 0.01 0.00 0.31 0.00 0.00 61.69 62.21 2kss s THR 63 Cb 0.01 -0.62 -0.00 0.00 0.01 0.00 0.00 72.50 71.90 2kss s THR 63 CO 0.23 0.24 0.07 0.61 -0.69 0.00 0.00 174.62 175.08 2kss n GLY 64 N 3.82 3.57 3.37 4.40 0.00 -0.88 -4.52 105.19 114.94 2kss n GLY 64 Ca -0.23 -1.64 -0.26 0.00 0.00 0.00 0.00 46.02 43.88 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 -2.35 2.13 -0.27 -0.61 1.01 -1.10 -1.08 121.20 118.92 2kss s ILE 65 Ca 0.08 -1.82 -0.24 0.00 0.00 0.00 0.00 60.65 58.68 2kss s ILE 65 Cb 0.00 -1.93 -0.00 0.00 0.01 0.00 0.00 42.46 40.54 2kss s ILE 65 CO 0.06 -0.05 0.79 -0.69 0.00 0.00 0.00 174.94 175.05 2kss s VAL 66 N -1.38 4.83 0.05 2.92 1.01 -1.08 -1.98 120.40 124.77 2kss s VAL 66 Ca 0.15 1.35 -0.22 0.00 0.00 0.00 0.00 61.98 63.26 2kss s VAL 66 Cb -0.09 -4.11 -0.13 0.00 0.00 0.00 0.00 36.38 32.05 2kss s VAL 66 CO 0.07 -0.14 1.47 0.58 0.00 0.00 0.00 175.10 177.08 2kss h VAL 67 N 5.50 1.26 0.00 2.92 2.07 -1.84 -3.08 116.25 123.08 2kss h VAL 67 Ca -0.24 -0.85 0.00 0.00 0.82 0.00 0.00 66.70 66.43 2kss h VAL 67 Cb 1.10 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 32.44 2kss h VAL 67 CO 0.87 0.25 0.00 0.61 0.02 0.00 0.00 177.57 179.31 2kss n GLY 68 N -0.25 4.43 3.58 2.17 0.00 -1.26 -4.76 105.19 109.10 2kss n GLY 68 Ca -0.06 -1.31 -0.06 0.00 0.00 0.00 0.00 46.02 44.60 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 -0.24 -0.53 0.99 0.20 -1.26 -4.72 118.68 113.12 2kss s LEU 69 Ca 0.00 -0.08 -0.19 0.00 0.69 0.00 0.00 54.13 54.54 2kss s LEU 69 Cb 0.00 1.82 0.07 0.00 -0.43 0.00 0.00 46.19 47.65 2kss s LEU 69 CO 0.00 -0.54 0.66 0.68 -0.29 0.00 0.00 176.35 176.86 2kss s VAL 70 N -2.90 4.84 0.24 1.68 -7.23 -1.26 -4.45 120.40 111.32 2kss s VAL 70 Ca 0.08 -0.55 0.01 0.00 -1.81 0.00 0.00 61.98 59.72 2kss s VAL 70 Cb -0.00 -4.35 -0.05 0.00 0.56 0.00 0.00 36.38 32.54 2kss s VAL 70 CO -0.05 -0.88 0.09 -0.36 -0.31 0.00 0.00 175.10 173.58 2kss s PHE 71 N 2.72 1.46 -0.64 2.82 0.08 -1.26 -4.77 117.98 118.39 2kss s PHE 71 Ca 0.15 -1.18 -0.38 0.00 0.12 0.00 0.00 56.93 55.64 2kss s PHE 71 Cb -0.20 -0.84 -0.18 0.00 -0.57 0.00 0.00 43.02 41.23 2kss s PHE 71 CO 0.11 -0.35 2.35 -0.40 -0.10 0.00 0.00 175.22 176.82 2kss n ASP 72 N -0.42 0.88 -4.62 1.36 5.75 -1.26 -4.80 116.55 113.44 2kss n ASP 72 Ca -0.01 0.42 -0.43 0.00 -0.01 0.00 0.00 54.79 54.76 2kss n ASP 72 Cb 0.66 -0.99 -0.02 0.00 -1.03 0.00 0.00 41.12 39.73 2kss n ASP 72 CO 0.00 0.00 0.00 1.51 -0.11 0.00 0.00 177.20 178.60 2kss s ASP 73 N 7.49 6.57 0.20 -1.12 -4.77 -1.26 -4.75 116.67 119.03 2kss s ASP 73 Ca 1.23 1.17 0.00 0.00 -3.30 0.00 0.00 52.55 51.65 2kss s ASP 73 Cb -1.26 -2.54 0.00 0.00 -1.09 0.00 0.00 42.92 38.03 2kss s ASP 73 CO 0.56 -1.17 0.00 -0.81 0.70 0.00 0.00 175.17 174.45 2kss n PRO 74 N 7.51 0.70 0.09 2.11 -0.04 -1.26 -4.84 135.00 139.27 2kss n PRO 74 Ca 0.16 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.56 2kss n PRO 74 Cb 0.47 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.94 2kss n PRO 74 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kss h ALA 75 N -2.00 0.62 -0.64 0.55 0.00 -2.03 -3.02 119.26 112.74 2kss h ALA 75 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 54.16 2kss h ALA 75 Cb 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2kss h ALA 75 CO 0.00 1.01 0.00 2.41 0.00 0.00 0.00 179.25 182.67 2kss n THR 76 N -3.58 1.51 -1.55 0.00 -1.04 -1.26 -5.06 114.28 103.30 2kss n THR 76 Ca -0.01 -1.14 0.04 0.00 -2.04 0.00 0.00 64.05 60.90 2kss n THR 76 Cb 0.79 0.27 -0.02 0.00 -1.82 0.00 0.00 70.33 69.55 2kss n THR 76 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 2kss n GLN 77 N 1.20 -3.84 -3.52 -2.82 -0.06 -1.14 -5.04 117.38 102.15 2kss n GLN 77 Ca 0.24 3.02 -0.12 0.00 -2.00 0.00 0.00 57.00 58.14 2kss n GLN 77 Cb 0.77 -3.91 -0.04 0.00 -4.06 0.00 0.00 30.24 22.99 2kss n GLN 77 CO 0.00 0.00 0.00 -0.47 -0.20 0.00 0.00 177.06 176.39 2kss s TYR 78 N -5.16 -0.47 -0.06 3.69 6.14 -1.26 -4.70 117.35 115.54 2kss s TYR 78 Ca 0.00 0.61 -0.09 0.00 0.64 0.00 0.00 57.07 58.23 2kss s TYR 78 Cb 0.00 0.48 -0.05 0.00 0.42 0.00 0.00 41.96 42.81 2kss s TYR 78 CO 0.00 -0.54 0.39 -1.00 0.64 0.00 0.00 175.55 175.04 2kss h PRO 79 N 2.45 -0.32 0.00 4.97 0.13 -1.92 -3.42 132.00 133.88 2kss h PRO 79 Ca -0.24 0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.90 2kss h PRO 79 Cb 1.20 0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.40 2kss h PRO 79 CO 0.34 -0.21 -1.04 -3.47 -0.23 0.00 0.00 178.00 173.39 2kss n ASP 80 N -4.90 4.85 -4.45 1.44 2.03 -1.26 -5.05 116.55 109.21 2kss n ASP 80 Ca -0.04 0.00 -0.25 0.00 0.52 0.00 0.00 54.79 55.01 2kss n ASP 80 Cb 0.13 0.56 -0.11 0.00 -0.72 0.00 0.00 41.12 40.99 2kss n ASP 80 CO 0.00 0.00 0.00 1.51 -1.92 0.00 0.00 177.20 176.79 2kss s ASP 81 N -2.98 3.51 0.17 1.67 3.84 -1.26 -5.04 116.67 116.57 2kss s ASP 81 Ca -0.00 -0.95 0.00 0.00 -0.00 0.00 0.00 52.55 51.60 2kss s ASP 81 Cb 0.00 -0.28 0.01 0.00 -1.38 0.00 0.00 42.92 41.28 2kss s ASP 81 CO 0.03 0.08 1.39 1.55 -0.00 0.00 0.00 175.17 178.22 2kss h PRO 82 N 2.75 0.30 -5.06 2.11 0.13 -1.91 -3.40 132.00 126.92 2kss h PRO 82 Ca -0.43 -0.29 -0.55 0.00 -0.87 0.00 0.00 66.00 63.86 2kss h PRO 82 Cb 1.23 0.07 -0.13 0.00 0.13 0.00 0.00 31.00 32.30 2kss h PRO 82 CO 0.54 0.97 -0.53 -0.48 -0.23 0.00 0.00 178.00 178.27 2kss s LEU 83 N -7.67 2.02 0.37 1.56 2.34 -1.26 -4.70 118.68 111.33 2kss s LEU 83 Ca -0.04 -1.63 -0.26 0.00 0.06 0.00 0.00 54.13 52.26 2kss s LEU 83 Cb 0.10 -0.16 -0.09 0.00 -0.56 0.00 0.00 46.19 45.48 2kss s LEU 83 CO 0.84 -0.89 1.08 0.27 -1.06 0.00 0.00 176.35 176.59 2kss s ILE 84 N -3.22 3.57 -0.03 1.48 -4.36 -1.26 -4.63 121.20 112.75 2kss s ILE 84 Ca 0.25 1.31 0.00 0.00 -0.26 0.00 0.00 60.65 61.96 2kss s ILE 84 Cb 0.03 -3.73 0.03 0.00 1.25 0.00 0.00 42.46 40.04 2kss s ILE 84 CO 0.14 0.11 -0.01 0.00 0.24 0.00 0.00 174.94 175.43 2kss s GLN 85 N -2.19 0.39 0.07 0.37 -2.07 -1.26 -2.19 119.66 112.78 2kss s GLN 85 Ca 0.54 0.05 -0.05 0.00 -1.82 0.00 0.00 55.36 54.08 2kss s GLN 85 Cb -0.26 -0.55 -0.05 0.00 -1.09 0.00 0.00 33.01 31.06 2kss s GLN 85 CO 0.33 -0.13 0.31 0.08 -1.32 0.00 0.00 175.29 174.56 2kss s VAL 86 N 1.03 5.25 -0.10 3.63 1.01 -0.07 -2.36 120.40 128.78 2kss s VAL 86 Ca -0.10 0.07 -0.03 0.00 0.00 0.00 0.00 61.98 61.92 2kss s VAL 86 Cb -0.14 -3.60 0.04 0.00 0.00 0.00 0.00 36.38 32.68 2kss s VAL 86 CO -0.01 0.21 0.05 -0.22 0.00 0.00 0.00 175.10 175.12 2kss s LEU 87 N -2.20 0.47 0.38 3.92 0.20 -0.84 -1.71 118.68 118.90 2kss s LEU 87 Ca 0.34 -0.27 -0.15 0.00 0.69 0.00 0.00 54.13 54.74 2kss s LEU 87 Cb -0.13 -0.32 -0.09 0.00 -0.43 0.00 0.00 46.19 45.23 2kss s LEU 87 CO 0.21 -0.27 0.80 -0.69 -0.29 0.00 0.00 176.35 176.12 2kss s VAL 88 N 2.06 4.64 -0.04 1.68 1.01 -1.13 -2.71 120.40 125.90 2kss s VAL 88 Ca 0.03 0.99 -0.30 0.00 0.00 0.00 0.00 61.98 62.70 2kss s VAL 88 Cb -0.14 -3.65 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 2kss s VAL 88 CO -0.06 -0.33 1.48 -1.61 0.00 0.00 0.00 175.10 174.58 2kss s GLU 89 N -3.32 4.23 0.00 2.72 2.02 -1.26 -1.79 118.70 121.29 2kss s GLU 89 Ca 0.55 2.02 0.00 0.00 0.02 0.00 0.00 54.97 57.56 2kss s GLU 89 Cb -0.10 -3.75 0.00 0.00 0.10 0.00 0.00 34.13 30.38 2kss s GLU 89 CO 0.21 -0.70 0.00 0.41 0.02 0.00 0.00 175.26 175.20 2kss n GLY 90 N 3.83 2.09 0.00 -1.39 0.00 -1.26 -4.98 105.19 103.49 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 4.77 -0.74 -5.15 117.00 116.87 2kss n LEU 91 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2kss n LEU 91 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2kss n LEU 91 CO 0.00 -0.19 0.00 0.61 -1.33 0.00 0.00 177.39 176.48 2kss n GLY 92 N 5.00 1.68 2.93 -0.72 0.00 -1.26 -4.71 105.19 108.10 2kss n GLY 92 Ca 0.00 -1.98 -0.17 0.00 0.00 0.00 0.00 46.02 43.87 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 2.83 0.48 0.17 1.61 -1.05 -1.26 -2.85 118.70 118.63 2kss s GLU 93 Ca 0.00 -0.13 0.01 0.00 -0.15 0.00 0.00 54.97 54.70 2kss s GLU 93 Cb 0.00 -0.50 -0.04 0.00 -0.44 0.00 0.00 34.13 33.15 2kss s GLU 93 CO 0.00 0.04 0.03 0.34 0.95 0.00 0.00 175.26 176.62 2kss s ASP 94 N 0.24 0.91 -0.21 0.83 2.15 -0.69 -5.00 116.67 114.90 2kss s ASP 94 Ca -0.02 -1.21 -0.08 0.00 0.43 0.00 0.00 52.55 51.67 2kss s ASP 94 Cb -0.06 0.18 -0.04 0.00 -0.30 0.00 0.00 42.92 42.70 2kss s ASP 94 CO -0.00 -0.64 0.07 -0.76 -0.17 0.00 0.00 175.17 173.67 2kss s LEU 95 N -3.15 3.71 0.41 -1.34 1.43 -1.26 -0.89 118.68 117.59 2kss s LEU 95 Ca 0.26 -0.02 0.06 0.00 -1.03 0.00 0.00 54.13 53.40 2kss s LEU 95 Cb 0.07 -1.96 -0.08 0.00 0.03 0.00 0.00 46.19 44.25 2kss s LEU 95 CO 0.04 0.09 0.01 -0.36 0.23 0.00 0.00 176.35 176.37 2kss s PHE 96 N 0.87 2.45 0.30 0.29 0.08 -0.93 -4.98 117.98 116.05 2kss s PHE 96 Ca 0.04 -0.71 0.00 0.00 0.12 0.00 0.00 56.93 56.39 2kss s PHE 96 Cb -0.14 -1.73 -0.04 0.00 -0.57 0.00 0.00 43.02 40.55 2kss s PHE 96 CO 0.03 0.40 0.49 -0.06 -0.10 0.00 0.00 175.22 175.98 2kss s PHE 97 N -2.77 3.49 -0.43 0.36 0.40 -1.26 -4.27 117.98 113.50 2kss s PHE 97 Ca 0.34 0.32 0.26 0.00 -0.60 0.00 0.00 56.93 57.25 2kss s PHE 97 Cb 0.10 -1.86 0.89 0.00 0.51 0.00 0.00 43.02 42.66 2kss s PHE 97 CO 0.17 0.23 1.77 -1.00 0.70 0.00 0.00 175.22 177.09 2kss h PRO 98 N 1.17 0.00 -0.00 0.24 0.13 -1.96 -2.70 132.00 128.87 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 -0.88 0.39 -0.23 0.00 0.00 178.00 177.91 2kss n GLU 99 N -2.58 0.20 -0.02 0.86 1.02 -1.26 -4.51 120.64 114.33 2kss n GLU 99 Ca 0.03 -0.16 -0.00 0.00 -0.02 0.00 0.00 57.16 57.01 2kss n GLU 99 Cb 0.36 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.29 2kss n GLU 99 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2kss h GLU 100 N 0.39 0.00 -6.39 3.49 5.08 -1.88 -3.47 114.58 111.80 2kss h GLU 100 Ca 0.00 0.00 -0.46 0.00 -1.00 0.00 0.00 59.36 57.90 2kss h GLU 100 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 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 -6.11 4.10 0.35 1.33 0.05 -1.17 -4.49 118.68 112.73 2kss s LEU 101 Ca -0.01 0.24 0.06 0.00 0.05 0.00 0.00 54.13 54.47 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 0.01 -0.25 0.00 -1.83 -0.55 0.00 0.00 176.35 173.73 2kss s GLU 102 N -4.19 1.76 0.12 1.48 -1.05 -1.25 -4.77 118.70 110.79 2kss s GLU 102 Ca 0.39 -1.96 -0.30 0.00 -0.15 0.00 0.00 54.97 52.95 2kss s GLU 102 Cb -0.09 -1.28 -0.06 0.00 -0.44 0.00 0.00 34.13 32.25 2kss s GLU 102 CO 0.33 -0.06 1.06 -1.17 0.95 0.00 0.00 175.26 176.37 2kss s LEU 103 N -3.57 4.46 0.45 1.83 2.96 -1.26 -3.34 118.68 120.21 2kss s LEU 103 Ca 0.34 1.93 -0.22 0.00 -0.22 0.00 0.00 54.13 55.97 2kss s LEU 103 Cb 0.08 -3.59 -0.09 0.00 0.50 0.00 0.00 46.19 43.09 2kss s LEU 103 CO 0.16 -0.22 1.04 0.00 -1.32 0.00 0.00 176.35 176.01 2kss s ALA 104 N 0.20 2.95 -0.07 5.97 0.00 -1.24 -4.94 121.76 124.63 2kss s ALA 104 Ca 0.50 0.62 -0.19 0.00 0.00 0.00 0.00 51.96 52.89 2kss s ALA 104 Cb -0.26 -3.25 -0.15 0.00 0.00 0.00 0.00 23.12 19.45 2kss s ALA 104 CO 0.31 -0.25 0.73 -1.00 0.00 0.00 0.00 175.76 175.56 2kss h PRO 105 N 1.89 -0.15 -0.01 0.00 0.13 -1.95 -3.49 132.00 128.42 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 32.38 2kss h PRO 105 CO 0.60 0.31 0.00 -1.91 -0.23 0.00 0.00 178.00 176.77