#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ka0 s ARG 2 N 0.00 1.86 -0.19 2.12 0.52 -1.26 -2.03 118.95 119.97 2ka0 s ARG 2 Ca 0.00 0.88 -0.04 0.00 -0.52 0.00 0.00 55.73 56.05 2ka0 s ARG 2 Cb 0.00 -1.87 0.09 0.00 0.52 0.00 0.00 34.95 33.69 2ka0 s ARG 2 CO 0.00 -1.83 0.28 0.08 0.02 0.00 0.00 175.30 173.84 2ka0 s VAL 3 N -2.99 -0.43 0.08 3.52 1.01 0.51 -4.11 120.40 117.99 2ka0 s VAL 3 Ca 0.62 0.02 -0.22 0.00 0.00 0.00 0.00 61.98 62.40 2ka0 s VAL 3 Cb -0.16 -0.64 -0.07 0.00 0.00 0.00 0.00 36.38 35.51 2ka0 s VAL 3 CO 0.56 -0.08 0.67 -0.70 0.00 0.00 0.00 175.10 175.55 2ka0 s GLU 4 N 2.42 4.38 -0.42 2.72 2.12 0.26 0.24 118.70 130.41 2ka0 s GLU 4 Ca 0.06 0.91 -0.00 0.00 0.36 0.00 0.00 54.97 56.31 2ka0 s GLU 4 Cb -0.14 -3.29 0.12 0.00 0.26 0.00 0.00 34.13 31.07 2ka0 s GLU 4 CO -0.12 0.49 0.19 -0.51 -0.54 0.00 0.00 175.26 174.78 2ka0 s LEU 5 N -0.72 5.02 0.28 2.70 1.43 0.12 -0.76 118.68 126.75 2ka0 s LEU 5 Ca 0.33 -2.27 -0.16 0.00 -1.03 0.00 0.00 54.13 51.00 2ka0 s LEU 5 Cb -0.20 -1.75 -0.09 0.00 0.03 0.00 0.00 46.19 44.18 2ka0 s LEU 5 CO 0.21 -0.44 0.71 -0.76 0.23 0.00 0.00 176.35 176.30 2ka0 s LEU 6 N 0.78 4.17 0.37 1.79 1.43 -0.33 -0.58 118.68 126.31 2ka0 s LEU 6 Ca 0.11 1.29 0.06 0.00 -1.03 0.00 0.00 54.13 54.56 2ka0 s LEU 6 Cb -0.22 -3.87 -0.03 0.00 0.03 0.00 0.00 46.19 42.11 2ka0 s LEU 6 CO -0.05 -0.11 0.21 -0.36 0.23 0.00 0.00 176.35 176.27 2ka0 s PHE 7 N -1.81 1.76 -0.58 0.29 0.40 0.07 -0.18 117.98 117.93 2ka0 s PHE 7 Ca 0.50 -1.50 0.25 0.00 -0.60 0.00 0.00 56.93 55.58 2ka0 s PHE 7 Cb -0.12 -0.90 0.71 0.00 0.51 0.00 0.00 43.02 43.21 2ka0 s PHE 7 CO 0.19 -0.63 1.73 0.93 0.70 0.00 0.00 175.22 178.14 2ka0 h GLU 8 N 1.98 0.00 0.00 0.44 4.39 -1.74 -3.32 114.58 116.33 2ka0 h GLU 8 Ca -0.29 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.41 2ka0 h GLU 8 Cb 1.25 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.90 2ka0 h GLU 8 CO 0.45 0.00 0.00 0.45 -1.16 0.00 0.00 179.01 178.75 2ka0 n SER 9 N -2.56 0.83 -2.22 1.42 2.88 -1.26 -5.09 113.62 107.61 2ka0 n SER 9 Ca 0.05 -1.04 0.01 0.00 -1.33 0.00 0.00 58.87 56.56 2ka0 n SER 9 Cb 0.44 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.90 2ka0 n SER 9 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ka0 n GLY 10 N -0.02 0.44 3.54 0.46 0.00 -1.25 -4.72 105.19 103.65 2ka0 n GLY 10 Ca 0.00 -0.92 -0.15 0.00 0.00 0.00 0.00 46.02 44.94 2ka0 n GLY 10 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ka0 s LYS 11 N -2.01 0.89 0.26 1.61 -2.85 -1.26 -0.75 119.74 115.64 2ka0 s LYS 11 Ca 0.13 0.24 0.05 0.00 -1.00 0.00 0.00 55.97 55.39 2ka0 s LYS 11 Cb -0.00 0.42 -0.02 0.00 -2.06 0.00 0.00 37.83 36.17 2ka0 s LYS 11 CO -0.00 -0.27 0.18 0.00 0.10 0.00 0.00 175.35 175.35 2ka0 s VAL 13 N -2.92 0.46 -0.06 0.00 0.11 -0.38 0.11 120.40 117.71 2ka0 s VAL 13 Ca 0.26 -1.95 -0.01 0.00 -2.93 0.00 0.00 61.98 57.34 2ka0 s VAL 13 Cb 0.01 -2.10 0.03 0.00 -1.53 0.00 0.00 36.38 32.78 2ka0 s VAL 13 CO 0.18 -0.46 0.00 0.27 -3.33 0.00 0.00 175.10 171.76 2ka0 s ILE 14 N -3.81 0.34 -0.31 7.04 -4.36 0.14 -3.73 121.20 116.51 2ka0 s ILE 14 Ca 0.24 0.13 -0.23 0.00 -0.26 0.00 0.00 60.65 60.53 2ka0 s ILE 14 Cb 0.07 -0.49 -0.00 0.00 1.25 0.00 0.00 42.46 43.29 2ka0 s ILE 14 CO 0.03 0.24 0.77 -0.62 0.24 0.00 0.00 174.94 175.61 2ka0 s ASP 15 N 1.85 6.65 0.03 4.36 2.15 -0.12 -0.36 116.67 131.23 2ka0 s ASP 15 Ca 0.03 0.64 0.09 0.00 0.43 0.00 0.00 52.55 53.73 2ka0 s ASP 15 Cb -0.12 -2.40 -0.03 0.00 -0.30 0.00 0.00 42.92 40.07 2ka0 s ASP 15 CO -0.04 -0.61 -0.25 -0.76 -0.17 0.00 0.00 175.17 173.34 2ka0 s LEU 16 N 2.93 2.14 0.08 -1.34 1.43 -0.86 -1.96 118.68 121.10 2ka0 s LEU 16 Ca 0.32 -0.54 -0.18 0.00 -1.03 0.00 0.00 54.13 52.69 2ka0 s LEU 16 Cb -0.14 -1.23 -0.07 0.00 0.03 0.00 0.00 46.19 44.78 2ka0 s LEU 16 CO 0.13 0.25 0.56 0.21 0.23 0.00 0.00 176.35 177.73 2ka0 s ASN 17 N -1.06 7.02 0.00 2.29 3.84 -1.21 -0.40 114.94 125.41 2ka0 s ASN 17 Ca 0.10 1.22 0.03 0.00 0.21 0.00 0.00 52.86 54.43 2ka0 s ASN 17 Cb -0.10 -2.34 0.20 0.00 -0.55 0.00 0.00 41.25 38.46 2ka0 s ASN 17 CO 0.01 0.25 0.96 -0.62 -2.79 0.00 0.00 177.10 174.91 2ka0 n GLU 18 N 1.56 0.82 -0.22 0.43 1.02 -1.26 -3.96 120.64 119.02 2ka0 n GLU 18 Ca -0.10 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.11 2ka0 n GLU 18 Cb 0.51 -1.07 0.19 0.00 -0.02 0.00 0.00 31.44 31.06 2ka0 n GLU 18 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2ka0 n GLU 19 N -0.57 2.01 -5.16 3.49 1.02 -1.26 -4.71 120.64 115.46 2ka0 n GLU 19 Ca 0.03 -1.57 -0.31 0.00 -0.02 0.00 0.00 57.16 55.29 2ka0 n GLU 19 Cb 0.01 -1.34 -0.17 0.00 -0.02 0.00 0.00 31.44 29.93 2ka0 n GLU 19 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2ka0 s TYR 20 N -1.42 2.33 0.20 -0.32 2.02 -1.25 -5.03 117.35 113.88 2ka0 s TYR 20 Ca 0.29 -0.79 -0.14 0.00 -0.37 0.00 0.00 57.07 56.06 2ka0 s TYR 20 Cb 0.15 -1.55 0.21 0.00 -0.40 0.00 0.00 41.96 40.37 2ka0 s TYR 20 CO 0.20 -0.28 1.64 1.49 -1.57 0.00 0.00 175.55 177.03 2ka0 h GLU 21 N 6.34 0.01 -0.82 -0.62 4.57 -1.90 -0.57 114.58 121.59 2ka0 h GLU 21 Ca -0.28 -0.00 0.08 0.00 -1.18 0.00 0.00 59.36 57.98 2ka0 h GLU 21 Cb 1.20 -0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.73 2ka0 h GLU 21 CO 0.47 0.01 0.53 -0.24 -1.18 0.00 0.00 179.01 178.60 2ka0 h VAL 22 N 0.01 1.00 -0.15 0.32 3.04 -1.96 0.11 116.25 118.63 2ka0 h VAL 22 Ca 0.28 -0.29 -0.13 0.00 -1.01 0.00 0.00 66.70 65.56 2ka0 h VAL 22 Cb 0.43 0.09 0.00 0.00 -2.01 0.00 0.00 31.29 29.80 2ka0 h VAL 22 CO -0.59 0.15 -0.40 0.58 -1.01 0.00 0.00 177.57 176.31 2ka0 h VAL 23 N 0.84 1.35 -0.33 1.51 2.07 -1.43 0.19 116.25 120.45 2ka0 h VAL 23 Ca 0.36 -1.67 0.01 0.00 0.82 0.00 0.00 66.70 66.23 2ka0 h VAL 23 Cb 0.32 2.02 -0.02 0.00 -1.52 0.00 0.00 31.29 32.09 2ka0 h VAL 23 CO -0.14 0.51 0.22 0.11 0.02 0.00 0.00 177.57 178.29 2ka0 h LYS 24 N 0.17 0.41 0.14 1.57 1.57 -0.77 -1.02 116.57 118.64 2ka0 h LYS 24 Ca -0.01 -0.02 -0.32 0.00 -1.87 0.00 0.00 60.65 58.43 2ka0 h LYS 24 Cb 1.01 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.23 2ka0 h LYS 24 CO 0.09 0.27 -1.62 -0.07 -0.57 0.00 0.00 179.45 177.54 2ka0 h LEU 25 N 0.42 0.47 -1.44 2.94 3.38 -0.89 -3.28 115.31 116.91 2ka0 h LEU 25 Ca 0.13 -0.68 0.08 0.00 0.09 0.00 0.00 57.88 57.50 2ka0 h LEU 25 Cb -0.00 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 2ka0 h LEU 25 CO -0.03 1.57 0.46 -0.07 0.09 0.00 0.00 178.44 180.46 2ka0 h LEU 26 N 0.08 0.58 -1.92 1.67 3.38 -0.21 -2.00 115.31 116.89 2ka0 h LEU 26 Ca -0.28 0.01 0.04 0.00 0.09 0.00 0.00 57.88 57.74 2ka0 h LEU 26 Cb 2.05 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 42.67 2ka0 h LEU 26 CO 0.17 0.37 0.15 0.50 0.09 0.00 0.00 178.44 179.72 2ka0 h LYS 27 N 0.66 0.10 0.00 1.13 3.64 -1.25 0.14 116.57 120.98 2ka0 h LYS 27 Ca 0.31 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.68 2ka0 h LYS 27 Cb 0.36 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 2ka0 h LYS 27 CO -0.10 0.07 0.00 0.39 -2.27 0.00 0.00 179.45 177.53 2ka0 n GLU 28 N -4.49 0.15 -0.82 1.90 -0.58 -0.76 -3.79 120.64 112.26 2ka0 n GLU 28 Ca 0.02 0.14 0.05 0.00 -0.42 0.00 0.00 57.16 56.95 2ka0 n GLU 28 Cb 0.23 -1.68 0.09 0.00 -0.57 0.00 0.00 31.44 29.50 2ka0 n GLU 28 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2ka0 n LYS 29 N -1.94 0.62 -4.46 3.49 4.76 -0.04 -5.03 118.16 115.56 2ka0 n LYS 29 Ca 0.06 -2.22 -0.23 0.00 -2.87 0.00 0.00 58.31 53.04 2ka0 n LYS 29 Cb 0.37 -0.78 -0.13 0.00 -1.84 0.00 0.00 35.03 32.65 2ka0 n LYS 29 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2ka0 s ILE 30 N -1.32 1.51 0.86 -0.18 1.01 -0.73 -3.99 121.20 118.36 2ka0 s ILE 30 Ca 0.27 -1.24 -0.12 0.00 0.00 0.00 0.00 60.65 59.57 2ka0 s ILE 30 Cb 0.28 -1.34 0.11 0.00 0.01 0.00 0.00 42.46 41.52 2ka0 s ILE 30 CO -0.07 0.07 1.14 -0.81 0.00 0.00 0.00 174.94 175.26 2ka0 n PRO 31 N 1.65 -0.11 -3.78 2.79 -0.04 -1.26 -4.97 135.00 129.28 2ka0 n PRO 31 Ca -0.18 0.04 -0.13 0.00 -0.04 0.00 0.00 63.50 63.19 2ka0 n PRO 31 Cb 0.54 -2.38 -0.09 0.00 -0.04 0.00 0.00 33.50 31.53 2ka0 n PRO 31 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2ka0 s PHE 32 N -2.35 -0.14 0.19 0.54 -0.71 -0.64 -4.99 117.98 109.88 2ka0 s PHE 32 Ca 0.70 0.18 0.05 0.00 -1.04 0.00 0.00 56.93 56.83 2ka0 s PHE 32 Cb -0.26 0.07 -0.04 0.00 -1.21 0.00 0.00 43.02 41.58 2ka0 s PHE 32 CO 0.55 -0.38 0.18 -1.21 -1.34 0.00 0.00 175.22 173.01 2ka0 s GLU 33 N -1.40 2.97 0.31 1.99 8.01 -1.26 -0.12 118.70 129.20 2ka0 s GLU 33 Ca -0.13 -0.90 -0.05 0.00 0.01 0.00 0.00 54.97 53.90 2ka0 s GLU 33 Cb -0.05 -2.66 -0.00 0.00 -4.31 0.00 0.00 34.13 27.11 2ka0 s GLU 33 CO 0.03 0.46 0.45 0.45 0.01 0.00 0.00 175.26 176.66 2ka0 s SER 34 N -3.37 0.58 1.07 -0.19 0.15 -0.43 -4.95 113.70 106.57 2ka0 s SER 34 Ca 0.32 -1.34 -0.15 0.00 0.70 0.00 0.00 55.95 55.49 2ka0 s SER 34 Cb -0.09 0.62 0.14 0.00 -1.71 0.00 0.00 66.02 64.98 2ka0 s SER 34 CO 0.24 -1.22 0.49 0.55 1.20 0.00 0.00 173.24 174.51 2ka0 n VAL 35 N -0.49 0.00 -4.44 4.45 3.14 -1.26 -0.98 118.33 118.75 2ka0 n VAL 35 Ca 0.00 -0.27 -0.33 0.00 -2.96 0.00 0.00 64.34 60.78 2ka0 n VAL 35 Cb 0.62 -0.75 -0.16 0.00 -1.06 0.00 0.00 33.84 32.49 2ka0 n VAL 35 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 2ka0 s VAL 36 N -2.37 2.47 0.33 1.55 1.01 -1.26 -3.82 120.40 118.31 2ka0 s VAL 36 Ca 0.61 -0.83 0.07 0.00 0.00 0.00 0.00 61.98 61.83 2ka0 s VAL 36 Cb -0.19 -2.04 -0.03 0.00 0.00 0.00 0.00 36.38 34.13 2ka0 s VAL 36 CO 0.65 0.52 0.29 0.20 0.00 0.00 0.00 175.10 176.76 2ka0 s ASN 37 N 0.96 5.31 0.05 3.32 0.01 -0.23 -1.56 114.94 122.80 2ka0 s ASN 37 Ca -0.03 -0.47 0.02 0.00 -0.71 0.00 0.00 52.86 51.67 2ka0 s ASN 37 Cb -0.15 -1.01 -0.03 0.00 0.41 0.00 0.00 41.25 40.48 2ka0 s ASN 37 CO -0.03 -0.33 -0.07 0.42 -1.51 0.00 0.00 177.10 175.57 2ka0 s THR 38 N -2.29 0.53 -0.43 1.60 -4.23 -1.26 -1.25 115.64 108.31 2ka0 s THR 38 Ca 0.40 -1.17 0.05 0.00 -1.18 0.00 0.00 61.69 59.79 2ka0 s THR 38 Cb -0.06 -0.71 0.17 0.00 1.34 0.00 0.00 72.50 73.24 2ka0 s THR 38 CO 0.26 -0.45 0.49 0.86 -0.54 0.00 0.00 174.62 175.25 2ka0 s TRP 39 N -1.65 -0.36 -0.77 3.99 -0.00 -0.41 -4.93 118.94 114.82 2ka0 s TRP 39 Ca -0.08 -1.16 -0.00 0.00 -0.00 0.00 0.00 56.10 54.86 2ka0 s TRP 39 Cb -0.08 -0.29 -0.00 0.00 -0.00 0.00 0.00 33.47 33.09 2ka0 s TRP 39 CO -0.00 -1.04 0.70 0.41 -0.00 0.00 0.00 176.95 177.02 2ka0 n GLY 40 N 3.39 -1.24 2.67 5.86 0.00 -1.26 -3.24 105.19 111.37 2ka0 n GLY 40 Ca 0.19 0.49 -0.16 0.00 0.00 0.00 0.00 46.02 46.54 2ka0 n GLY 40 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ka0 n GLU 41 N -1.94 -3.68 -4.01 1.61 1.02 -1.26 -3.95 120.64 108.43 2ka0 n GLU 41 Ca -0.04 0.64 -0.09 0.00 -0.02 0.00 0.00 57.16 57.66 2ka0 n GLU 41 Cb 0.53 -4.95 -0.11 0.00 -0.02 0.00 0.00 31.44 26.89 2ka0 n GLU 41 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2ka0 s GLU 42 N -5.41 0.39 -0.05 3.49 2.56 -1.20 -3.40 118.70 115.08 2ka0 s GLU 42 Ca 0.23 -0.77 0.03 0.00 0.00 0.00 0.00 54.97 54.47 2ka0 s GLU 42 Cb -0.10 0.12 -0.03 0.00 2.00 0.00 0.00 34.13 36.12 2ka0 s GLU 42 CO 0.29 -0.06 -0.14 0.42 -0.56 0.00 0.00 175.26 175.21 2ka0 s ILE 43 N -2.06 3.12 0.10 -3.70 1.01 -1.20 -1.29 121.20 117.17 2ka0 s ILE 43 Ca -0.10 -0.70 0.02 0.00 0.00 0.00 0.00 60.65 59.86 2ka0 s ILE 43 Cb -0.06 -2.23 -0.04 0.00 0.01 0.00 0.00 42.46 40.15 2ka0 s ILE 43 CO -0.03 0.59 -0.06 -0.72 0.00 0.00 0.00 174.94 174.72 2ka0 s TYR 44 N -0.70 0.88 0.08 3.97 1.13 -0.38 -2.20 117.35 120.13 2ka0 s TYR 44 Ca 0.11 -0.93 -0.14 0.00 -1.41 0.00 0.00 57.07 54.69 2ka0 s TYR 44 Cb -0.11 -0.51 0.02 0.00 -1.10 0.00 0.00 41.96 40.26 2ka0 s TYR 44 CO 0.01 -0.17 0.34 -0.59 -2.51 0.00 0.00 175.55 172.62 2ka0 s PHE 45 N -3.65 -0.12 -0.81 -3.49 -0.71 -1.26 -1.07 117.98 106.87 2ka0 s PHE 45 Ca 0.12 -0.13 -0.21 0.00 -1.04 0.00 0.00 56.93 55.67 2ka0 s PHE 45 Cb 0.05 0.15 0.09 0.00 -1.21 0.00 0.00 43.02 42.11 2ka0 s PHE 45 CO -0.05 -0.60 1.08 0.45 -1.34 0.00 0.00 175.22 174.77 2ka0 s SER 46 N -2.50 6.40 0.65 1.98 0.15 -1.26 -1.90 113.70 117.22 2ka0 s SER 46 Ca -0.00 -1.49 -0.17 0.00 0.70 0.00 0.00 55.95 54.99 2ka0 s SER 46 Cb 0.01 -2.42 -0.01 0.00 -1.71 0.00 0.00 66.02 61.89 2ka0 s SER 46 CO -0.08 -1.29 1.23 0.42 1.20 0.00 0.00 173.24 174.72 2ka0 s THR 47 N 3.56 2.38 0.06 6.45 -4.23 -1.25 -4.89 115.64 117.71 2ka0 s THR 47 Ca 0.29 0.22 0.15 0.00 -1.18 0.00 0.00 61.69 61.17 2ka0 s THR 47 Cb -0.10 -2.99 0.05 0.00 1.34 0.00 0.00 72.50 70.80 2ka0 s THR 47 CO -0.00 -0.07 1.56 1.55 -0.54 0.00 0.00 174.62 177.12 2ka0 h PRO 48 N 0.42 0.00 -6.76 3.99 0.13 -1.94 -3.43 132.00 124.40 2ka0 h PRO 48 Ca -0.50 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.15 2ka0 h PRO 48 Cb 1.31 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.41 2ka0 h PRO 48 CO 0.53 0.53 0.21 0.54 -0.23 0.00 0.00 178.00 179.58 2ka0 s VAL 49 N -3.26 4.45 -0.03 1.56 0.11 -1.26 -5.09 120.40 116.88 2ka0 s VAL 49 Ca 0.01 1.42 0.02 0.00 -2.93 0.00 0.00 61.98 60.50 2ka0 s VAL 49 Cb 0.10 -3.82 0.01 0.00 -1.53 0.00 0.00 36.38 31.14 2ka0 s VAL 49 CO 0.73 0.04 -0.07 0.20 -3.33 0.00 0.00 175.10 172.67 2ka0 s ASN 50 N -1.83 1.09 0.33 3.54 0.01 -1.26 -4.93 114.94 111.90 2ka0 s ASN 50 Ca 0.50 -0.17 0.06 0.00 -0.71 0.00 0.00 52.86 52.54 2ka0 s ASN 50 Cb -0.15 -0.39 -0.03 0.00 0.41 0.00 0.00 41.25 41.10 2ka0 s ASN 50 CO 0.20 0.02 0.31 0.68 -1.51 0.00 0.00 177.10 176.80 2ka0 s VAL 51 N 0.45 0.00 -0.01 1.60 -7.23 -1.26 -5.09 120.40 108.86 2ka0 s VAL 51 Ca -0.07 -1.93 0.02 0.00 -1.81 0.00 0.00 61.98 58.19 2ka0 s VAL 51 Cb -0.11 -2.53 0.03 0.00 0.56 0.00 0.00 36.38 34.33 2ka0 s VAL 51 CO 0.01 0.00 0.79 0.00 -0.31 0.00 0.00 175.10 175.58 2ka0 n GLN 52 N -0.61 0.61 -3.35 4.82 6.02 -1.26 -4.57 117.38 119.04 2ka0 n GLN 52 Ca 0.06 -1.01 -0.38 0.00 -0.01 0.00 0.00 57.00 55.67 2ka0 n GLN 52 Cb 0.62 -0.68 -0.06 0.00 1.02 0.00 0.00 30.24 31.14 2ka0 n GLN 52 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 2ka0 s LYS 53 N -0.44 4.29 -0.24 -1.09 2.20 -1.26 -5.04 119.74 118.15 2ka0 s LYS 53 Ca 0.03 0.36 -0.02 0.00 -0.36 0.00 0.00 55.97 55.98 2ka0 s LYS 53 Cb 0.03 -3.46 0.08 0.00 -1.51 0.00 0.00 37.83 32.96 2ka0 s LYS 53 CO 0.00 0.10 0.06 0.00 -0.36 0.00 0.00 175.35 175.15 2ka0 s MET 54 N 0.83 0.66 0.17 4.03 0.23 -1.26 -4.84 119.30 119.12 2ka0 s MET 54 Ca 0.23 -0.64 0.27 0.00 -1.03 0.00 0.00 55.69 54.52 2ka0 s MET 54 Cb -0.15 -2.01 0.89 0.00 -1.53 0.00 0.00 34.83 32.03 2ka0 s MET 54 CO 0.09 -0.78 1.80 0.39 -2.03 0.00 0.00 175.02 174.50 2ka0 n GLU 55 N 5.00 0.22 -3.20 3.16 -0.58 -1.26 -4.31 120.64 119.67 2ka0 n GLU 55 Ca -0.07 0.18 -0.23 0.00 -0.42 0.00 0.00 57.16 56.62 2ka0 n GLU 55 Cb 0.45 -1.75 -0.06 0.00 -0.57 0.00 0.00 31.44 29.50 2ka0 n GLU 55 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 2ka0 n ASN 56 N -2.13 0.40 -4.59 1.62 5.15 -1.26 -5.09 115.26 109.35 2ka0 n ASN 56 Ca 0.06 -2.77 -0.42 0.00 -0.60 0.00 0.00 54.58 50.85 2ka0 n ASN 56 Cb 0.41 -0.64 -0.02 0.00 -0.53 0.00 0.00 39.78 39.00 2ka0 n ASN 56 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2ka0 s PRO 57 N -1.42 3.36 -0.04 1.20 0.04 -1.26 -3.57 135.00 133.30 2ka0 s PRO 57 Ca 0.36 0.94 0.03 0.00 0.04 0.00 0.00 61.00 62.37 2ka0 s PRO 57 Cb 0.20 -4.13 -0.03 0.00 0.04 0.00 0.00 34.50 30.58 2ka0 s PRO 57 CO -0.10 -1.84 -0.12 1.03 0.04 0.00 0.00 177.00 176.01 2ka0 s ARG 58 N 5.47 2.55 0.00 4.56 1.81 -1.03 -5.00 118.95 127.29 2ka0 s ARG 58 Ca 0.65 -0.68 0.13 0.00 -1.72 0.00 0.00 55.73 54.11 2ka0 s ARG 58 Cb -0.15 -2.43 0.38 0.00 -0.45 0.00 0.00 34.95 32.29 2ka0 s ARG 58 CO 0.30 0.63 1.31 0.39 -0.68 0.00 0.00 175.30 177.25 2ka0 n GLU 59 N 2.17 1.85 -3.52 3.54 1.02 -1.26 -3.23 120.64 121.21 2ka0 n GLU 59 Ca -0.17 -1.32 -0.15 0.00 -0.02 0.00 0.00 57.16 55.50 2ka0 n GLU 59 Cb 0.52 -1.30 -0.05 0.00 -0.02 0.00 0.00 31.44 30.59 2ka0 n GLU 59 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2ka0 s VAL 60 N -1.54 0.01 0.19 2.62 0.11 -1.26 -4.03 120.40 116.51 2ka0 s VAL 60 Ca 0.26 -0.09 0.02 0.00 -2.93 0.00 0.00 61.98 59.24 2ka0 s VAL 60 Cb 0.14 -0.98 -0.01 0.00 -1.53 0.00 0.00 36.38 33.99 2ka0 s VAL 60 CO 0.18 -0.05 0.21 1.33 -3.33 0.00 0.00 175.10 173.44 2ka0 n VAL 61 N 0.42 0.00 -3.52 2.04 0.24 -0.58 -4.98 118.33 111.95 2ka0 n VAL 61 Ca -0.18 -1.25 -0.22 0.00 -2.04 0.00 0.00 64.34 60.65 2ka0 n VAL 61 Cb 0.60 0.67 -0.01 0.00 -1.47 0.00 0.00 33.84 33.64 2ka0 n VAL 61 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2ka0 s GLU 62 N -2.65 2.45 0.00 7.34 0.41 -1.26 -4.39 118.70 120.60 2ka0 s GLU 62 Ca 0.20 -1.65 0.00 0.00 -0.41 0.00 0.00 54.97 53.11 2ka0 s GLU 62 Cb 0.00 -2.38 0.00 0.00 -1.78 0.00 0.00 34.13 29.98 2ka0 s GLU 62 CO 0.15 -0.40 0.55 -0.89 -0.49 0.00 0.00 175.26 174.17 2ka0 n ILE 63 N -1.73 0.00 -2.28 -1.63 5.41 -1.26 -2.63 119.36 115.24 2ka0 n ILE 63 Ca 0.04 0.00 -0.05 0.00 1.00 0.00 0.00 62.75 63.75 2ka0 n ILE 63 Cb 0.62 -0.22 0.01 0.00 -0.71 0.00 0.00 39.64 39.35 2ka0 n ILE 63 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2ka0 n GLY 64 N 0.10 1.15 3.11 7.39 0.00 -1.14 -4.23 105.19 111.56 2ka0 n GLY 64 Ca 0.00 -0.07 -0.21 0.00 0.00 0.00 0.00 46.02 45.74 2ka0 n GLY 64 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ka0 n ASP 65 N -0.65 2.44 -4.25 1.61 8.00 -1.08 -1.23 116.55 121.39 2ka0 n ASP 65 Ca -0.24 -2.55 -0.14 0.00 0.71 0.00 0.00 54.79 52.58 2ka0 n ASP 65 Cb 0.77 -0.03 -0.10 0.00 -0.02 0.00 0.00 41.12 41.74 2ka0 n ASP 65 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2ka0 s VAL 66 N -2.23 0.73 0.23 2.53 1.01 -1.10 -3.12 120.40 118.45 2ka0 s VAL 66 Ca 0.25 -1.99 -0.07 0.00 0.00 0.00 0.00 61.98 60.17 2ka0 s VAL 66 Cb -0.02 -2.16 -0.02 0.00 0.00 0.00 0.00 36.38 34.18 2ka0 s VAL 66 CO 0.16 -0.44 0.32 -0.83 0.00 0.00 0.00 175.10 174.31 2ka0 s GLY 67 N -3.19 0.99 0.03 4.51 0.00 -0.96 -4.13 107.32 104.57 2ka0 s GLY 67 Ca 0.25 -1.28 0.09 0.00 0.00 0.00 0.00 44.72 43.78 2ka0 s GLY 67 CO 0.05 -1.00 -0.26 -2.52 0.00 0.00 0.00 173.10 169.37 2ka0 s TYR 68 N -4.05 2.29 -0.58 1.90 1.13 -1.23 -1.69 117.35 115.12 2ka0 s TYR 68 Ca 0.30 -0.42 0.04 0.00 -1.41 0.00 0.00 57.07 55.59 2ka0 s TYR 68 Cb 0.03 -1.40 0.15 0.00 -1.10 0.00 0.00 41.96 39.64 2ka0 s TYR 68 CO 0.11 0.09 0.35 -0.46 -2.51 0.00 0.00 175.55 173.13 2ka0 s TRP 69 N -0.76 3.19 0.37 -3.49 -0.00 0.45 -4.12 118.94 114.58 2ka0 s TRP 69 Ca 0.11 -3.17 0.04 0.00 -0.00 0.00 0.00 56.10 53.09 2ka0 s TRP 69 Cb -0.10 -2.66 0.70 0.00 -0.00 0.00 0.00 33.47 31.41 2ka0 s TRP 69 CO 0.01 -0.67 2.00 -1.00 -0.00 0.00 0.00 176.95 177.30 2ka0 h PRO 70 N 6.05 0.70 -0.06 5.86 0.13 -1.80 -1.11 132.00 141.77 2ka0 h PRO 70 Ca 0.02 -0.06 -0.15 0.00 -0.87 0.00 0.00 66.00 64.94 2ka0 h PRO 70 Cb 0.84 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 31.81 2ka0 h PRO 70 CO 0.68 0.49 -0.65 -1.00 -0.23 0.00 0.00 178.00 177.29 2ka0 h PRO 71 N 0.71 0.24 -0.28 1.56 0.13 -1.94 -2.95 132.00 129.48 2ka0 h PRO 71 Ca 0.19 -0.18 -0.06 0.00 -0.87 0.00 0.00 66.00 65.07 2ka0 h PRO 71 Cb -0.02 0.03 -0.04 0.00 0.13 0.00 0.00 31.00 31.10 2ka0 h PRO 71 CO -0.03 0.81 -0.01 0.41 -0.23 0.00 0.00 178.00 178.94 2ka0 n GLY 72 N 0.36 4.38 3.80 1.56 0.00 -1.23 -5.02 105.19 109.04 2ka0 n GLY 72 Ca -0.03 -1.11 -0.32 0.00 0.00 0.00 0.00 46.02 44.57 2ka0 n GLY 72 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ka0 n LYS 73 N -0.78 -0.99 -3.92 1.61 5.02 -0.67 -4.97 118.16 113.45 2ka0 n LYS 73 Ca 0.25 0.51 -0.09 0.00 -2.02 0.00 0.00 58.31 56.96 2ka0 n LYS 73 Cb 0.93 -3.15 -0.09 0.00 -0.02 0.00 0.00 35.03 32.70 2ka0 n LYS 73 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ka0 s ALA 74 N -3.30 -0.08 0.97 7.82 0.00 -0.51 -3.97 121.76 122.70 2ka0 s ALA 74 Ca 0.30 -0.63 -0.16 0.00 0.00 0.00 0.00 51.96 51.47 2ka0 s ALA 74 Cb -0.14 0.33 0.20 0.00 0.00 0.00 0.00 23.12 23.51 2ka0 s ALA 74 CO 0.90 -0.39 1.30 -1.17 0.00 0.00 0.00 175.76 176.40 2ka0 s LEU 75 N -2.46 2.55 0.06 0.00 2.96 -0.80 -0.41 118.68 120.58 2ka0 s LEU 75 Ca -0.00 0.33 -0.14 0.00 -0.22 0.00 0.00 54.13 54.11 2ka0 s LEU 75 Cb 0.02 -2.39 0.02 0.00 0.50 0.00 0.00 46.19 44.35 2ka0 s LEU 75 CO -0.07 -2.78 0.31 0.00 -1.32 0.00 0.00 176.35 172.49 2ka0 s LEU 77 N -2.21 -0.17 -0.37 0.00 1.43 -0.94 -2.26 118.68 114.17 2ka0 s LEU 77 Ca -0.03 -0.26 -0.14 0.00 -1.03 0.00 0.00 54.13 52.66 2ka0 s LEU 77 Cb -0.00 0.46 0.00 0.00 0.03 0.00 0.00 46.19 46.68 2ka0 s LEU 77 CO -0.05 -0.33 0.29 -0.36 0.23 0.00 0.00 176.35 176.13 2ka0 s PHE 78 N 2.35 3.23 -0.01 0.29 0.08 -1.18 -3.27 117.98 119.46 2ka0 s PHE 78 Ca 0.08 -0.34 0.22 0.00 0.12 0.00 0.00 56.93 57.01 2ka0 s PHE 78 Cb -0.15 -2.58 0.38 0.00 -0.57 0.00 0.00 43.02 40.10 2ka0 s PHE 78 CO -0.16 -0.48 1.15 1.97 -0.10 0.00 0.00 175.22 177.61 2ka0 n PHE 79 N 5.20 0.00 0.00 0.36 -1.74 -1.22 -2.87 117.46 117.20 2ka0 n PHE 79 Ca -0.11 -0.50 0.00 0.00 -0.56 0.00 0.00 57.45 56.27 2ka0 n PHE 79 Cb 0.48 -0.14 0.00 0.00 1.52 0.00 0.00 39.48 41.34 2ka0 n PHE 79 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 2ka0 n GLY 80 N 0.34 -0.37 0.62 4.97 0.00 -1.25 -5.01 105.19 104.49 2ka0 n GLY 80 Ca 0.06 0.13 0.08 0.00 0.00 0.00 0.00 46.02 46.29 2ka0 n GLY 80 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2ka0 n LYS 81 N 0.00 -1.29 -3.65 1.61 4.81 -1.26 -4.92 118.16 113.46 2ka0 n LYS 81 Ca 0.00 0.89 -0.11 0.00 -0.87 0.00 0.00 58.31 58.23 2ka0 n LYS 81 Cb 0.00 -1.55 -0.05 0.00 0.02 0.00 0.00 35.03 33.45 2ka0 n LYS 81 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 2ka0 s THR 82 N -1.93 0.07 -2.00 3.15 -4.23 -1.26 -4.35 115.64 105.09 2ka0 s THR 82 Ca 0.00 -0.59 0.07 0.00 -1.18 0.00 0.00 61.69 59.99 2ka0 s THR 82 Cb 0.00 -1.15 0.20 0.00 1.34 0.00 0.00 72.50 72.89 2ka0 s THR 82 CO 0.00 -0.32 0.96 -0.81 -0.54 0.00 0.00 174.62 173.91 2ka0 n PRO 83 N -0.12 0.63 -2.33 3.99 -0.04 -1.25 -3.48 135.00 132.39 2ka0 n PRO 83 Ca -0.16 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.08 2ka0 n PRO 83 Cb 0.63 -1.17 0.02 0.00 -0.04 0.00 0.00 33.50 32.93 2ka0 n PRO 83 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 2ka0 n MET 84 N -0.67 3.17 -3.70 0.54 1.56 -1.26 -5.01 117.12 111.75 2ka0 n MET 84 Ca 0.05 -4.17 -0.07 0.00 -0.27 0.00 0.00 57.70 53.24 2ka0 n MET 84 Cb 0.02 -2.12 0.03 0.00 2.15 0.00 0.00 33.22 33.30 2ka0 n MET 84 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 2ka0 n SER 85 N -0.55 -2.05 0.00 6.12 2.88 -1.23 -4.33 113.62 114.46 2ka0 n SER 85 Ca 0.36 -2.33 0.00 0.00 -1.33 0.00 0.00 58.87 55.57 2ka0 n SER 85 Cb 0.82 3.39 0.00 0.00 -0.75 0.00 0.00 64.21 67.67 2ka0 n SER 85 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2ka0 n ASP 86 N -1.44 0.00 0.02 -3.46 8.00 -1.26 -4.98 116.55 113.42 2ka0 n ASP 86 Ca -0.07 0.00 -0.20 0.00 0.71 0.00 0.00 54.79 55.23 2ka0 n ASP 86 Cb 0.57 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 41.53 2ka0 n ASP 86 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 2ka0 h ASP 87 N 0.00 0.40 -0.75 -2.24 3.32 -1.99 -3.49 116.42 111.67 2ka0 h ASP 87 Ca 0.00 -0.83 0.00 0.00 0.02 0.00 0.00 57.03 56.22 2ka0 h ASP 87 Cb 0.00 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.42 2ka0 h ASP 87 CO 0.00 1.73 0.00 2.29 -1.72 0.00 0.00 179.24 181.54 2ka0 n LYS 88 N -3.45 0.00 -3.26 3.56 2.85 -1.26 -5.08 118.16 111.52 2ka0 n LYS 88 Ca -0.28 0.00 -0.41 0.00 -1.05 0.00 0.00 58.31 56.57 2ka0 n LYS 88 Cb 1.05 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 35.42 2ka0 n LYS 88 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 2ka0 n ILE 89 N 0.00 4.39 -2.72 0.58 5.41 -1.26 -4.82 119.36 120.94 2ka0 n ILE 89 Ca 0.00 -5.56 -0.38 0.00 1.00 0.00 0.00 62.75 57.82 2ka0 n ILE 89 Cb 0.00 -2.28 -0.06 0.00 -0.71 0.00 0.00 39.64 36.59 2ka0 n ILE 89 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 2ka0 s GLN 90 N -2.08 4.58 0.74 0.38 -0.21 -1.26 -1.52 119.66 120.29 2ka0 s GLN 90 Ca 0.31 1.42 -0.04 0.00 0.02 0.00 0.00 55.36 57.08 2ka0 s GLN 90 Cb -0.01 -2.88 0.12 0.00 1.00 0.00 0.00 33.01 31.24 2ka0 s GLN 90 CO -0.00 0.26 1.02 -1.25 -2.12 0.00 0.00 175.29 173.20 2ka0 s PRO 91 N -1.91 1.68 0.43 2.91 0.04 -1.26 -4.37 135.00 132.53 2ka0 s PRO 91 Ca 0.49 -0.85 0.30 0.00 0.04 0.00 0.00 61.00 60.98 2ka0 s PRO 91 Cb -0.21 -2.25 1.48 0.00 0.04 0.00 0.00 34.50 33.56 2ka0 s PRO 91 CO 0.27 -1.49 1.90 0.00 0.04 0.00 0.00 177.00 177.72 2ka0 h ALA 92 N -0.64 1.00 0.00 8.56 0.00 -1.97 -3.39 119.26 122.81 2ka0 h ALA 92 Ca -0.39 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2ka0 h ALA 92 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2ka0 h ALA 92 CO 0.44 0.00 0.00 0.45 0.00 0.00 0.00 179.25 180.14 2ka0 n SER 93 N -2.59 0.00 -2.22 0.00 2.88 -1.26 -5.07 113.62 105.36 2ka0 n SER 93 Ca -0.01 -0.55 -0.03 0.00 -1.33 0.00 0.00 58.87 56.95 2ka0 n SER 93 Cb 0.13 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.59 2ka0 n SER 93 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2ka0 n ALA 94 N 0.00 -3.06 -1.00 -1.46 0.00 -1.26 -5.06 120.51 108.66 2ka0 n ALA 94 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 53.44 54.01 2ka0 n ALA 94 Cb 0.27 -1.76 0.00 0.00 0.00 0.00 0.00 19.45 17.96 2ka0 n ALA 94 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2ka0 n VAL 95 N -0.24 0.00 -4.30 0.00 0.24 -1.20 -4.69 118.33 108.15 2ka0 n VAL 95 Ca 0.05 0.00 -0.26 0.00 -2.04 0.00 0.00 64.34 62.09 2ka0 n VAL 95 Cb 0.20 -1.15 -0.17 0.00 -1.47 0.00 0.00 33.84 31.25 2ka0 n VAL 95 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 2ka0 s ASN 96 N -1.43 2.05 0.00 -1.34 3.84 -1.26 -2.48 114.94 114.33 2ka0 s ASN 96 Ca 0.00 -0.33 -0.03 0.00 0.21 0.00 0.00 52.86 52.71 2ka0 s ASN 96 Cb 0.00 -0.89 -0.14 0.00 -0.55 0.00 0.00 41.25 39.67 2ka0 s ASN 96 CO 0.00 -0.03 2.70 0.52 -2.79 0.00 0.00 177.10 177.51 2ka0 n VAL 97 N 4.32 2.34 0.17 -5.21 0.31 -1.23 -3.55 118.33 115.47 2ka0 n VAL 97 Ca -0.18 -0.98 0.11 0.00 -0.01 0.00 0.00 64.34 63.27 2ka0 n VAL 97 Cb 0.51 -1.75 0.58 0.00 -0.91 0.00 0.00 33.84 32.28 2ka0 n VAL 97 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 2ka0 n ILE 98 N 2.14 0.97 -4.32 2.52 -5.35 -1.26 -4.67 119.36 109.38 2ka0 n ILE 98 Ca 0.23 0.75 -0.17 0.00 -0.27 0.00 0.00 62.75 63.29 2ka0 n ILE 98 Cb 0.68 -1.75 -0.10 0.00 -1.74 0.00 0.00 39.64 36.73 2ka0 n ILE 98 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2ka0 s GLY 99 N -3.52 1.40 -0.04 3.28 0.00 -1.26 -3.36 107.32 103.82 2ka0 s GLY 99 Ca -0.02 -1.67 0.03 0.00 0.00 0.00 0.00 44.72 43.06 2ka0 s GLY 99 CO 0.19 -1.69 -0.13 1.25 0.00 0.00 0.00 173.10 172.72 2ka0 s LYS 100 N -3.74 1.34 -1.13 2.90 2.20 -0.83 -2.69 119.74 117.79 2ka0 s LYS 100 Ca 0.23 -0.44 -0.21 0.00 -0.36 0.00 0.00 55.97 55.19 2ka0 s LYS 100 Cb 0.03 -1.20 0.03 0.00 -1.51 0.00 0.00 37.83 35.17 2ka0 s LYS 100 CO 0.06 0.16 1.68 0.42 -0.36 0.00 0.00 175.35 177.32 2ka0 s ILE 101 N 0.16 3.88 0.03 5.43 1.01 -0.36 -0.94 121.20 130.40 2ka0 s ILE 101 Ca -0.04 -1.14 -0.22 0.00 0.00 0.00 0.00 60.65 59.25 2ka0 s ILE 101 Cb -0.10 -4.90 -0.15 0.00 0.01 0.00 0.00 42.46 37.31 2ka0 s ILE 101 CO 0.01 -1.71 1.38 -0.37 0.00 0.00 0.00 174.94 174.25 2ka0 h VAL 102 N 6.34 1.32 -2.79 2.92 -1.51 -1.82 -3.46 116.25 117.25 2ka0 h VAL 102 Ca 0.28 -1.09 -0.50 0.00 -1.23 0.00 0.00 66.70 64.15 2ka0 h VAL 102 Cb 0.95 1.82 -0.15 0.00 -2.13 0.00 0.00 31.29 31.79 2ka0 h VAL 102 CO 1.38 0.31 -0.75 -1.61 -1.23 0.00 0.00 177.57 175.67 2ka0 s GLU 103 N -4.53 1.41 -0.44 5.19 2.02 -1.26 -4.91 118.70 116.17 2ka0 s GLU 103 Ca -0.15 -1.60 -0.05 0.00 0.02 0.00 0.00 54.97 53.19 2ka0 s GLU 103 Cb 0.04 -1.32 0.01 0.00 0.10 0.00 0.00 34.13 32.96 2ka0 s GLU 103 CO 0.72 0.24 0.48 0.41 0.02 0.00 0.00 175.26 177.12 2ka0 n GLY 104 N -0.31 -1.06 0.41 -1.39 0.00 -1.26 -1.25 105.19 100.33 2ka0 n GLY 104 Ca -0.08 0.55 -0.18 0.00 0.00 0.00 0.00 46.02 46.31 2ka0 n GLY 104 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2ka0 n LEU 105 N -1.04 1.46 0.01 0.99 7.94 -1.26 -4.57 117.00 120.52 2ka0 n LEU 105 Ca 0.04 0.18 0.12 0.00 -1.11 0.00 0.00 56.01 55.23 2ka0 n LEU 105 Cb 0.43 -0.52 0.23 0.00 0.53 0.00 0.00 43.42 44.08 2ka0 n LEU 105 CO 0.37 0.42 0.42 -1.84 -1.11 0.00 0.00 177.39 175.65 2ka0 n GLU 106 N -3.69 0.05 0.06 1.96 0.28 -1.26 -3.46 120.64 114.58 2ka0 n GLU 106 Ca -0.34 0.01 0.13 0.00 -0.16 0.00 0.00 57.16 56.80 2ka0 n GLU 106 Cb 0.75 -1.53 0.48 0.00 1.43 0.00 0.00 31.44 32.57 2ka0 n GLU 106 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 2ka0 n ASP 107 N -1.59 0.46 0.27 -1.84 5.75 -1.26 -4.09 116.55 114.24 2ka0 n ASP 107 Ca 0.05 0.49 0.15 0.00 -0.01 0.00 0.00 54.79 55.48 2ka0 n ASP 107 Cb 0.35 -0.59 0.67 0.00 -1.03 0.00 0.00 41.12 40.52 2ka0 n ASP 107 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 2ka0 h LEU 108 N 0.00 0.00 -0.01 -2.12 3.38 -1.82 0.12 115.31 114.87 2ka0 h LEU 108 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2ka0 h LEU 108 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2ka0 h LEU 108 CO 0.00 0.07 0.00 0.29 0.09 0.00 0.00 178.44 178.89 2ka0 n LYS 109 N -3.22 0.00 0.14 1.13 4.01 -1.26 -3.16 118.16 115.80 2ka0 n LYS 109 Ca 0.00 0.15 0.02 0.00 -0.51 0.00 0.00 58.31 57.97 2ka0 n LYS 109 Cb 0.32 -1.50 0.09 0.00 -0.51 0.00 0.00 35.03 33.42 2ka0 n LYS 109 CO 0.00 0.00 0.00 0.87 -1.11 0.00 0.00 177.40 177.16 2ka0 h LYS 110 N 0.00 0.00 -7.27 1.97 1.79 -1.02 -3.46 116.57 108.58 2ka0 h LYS 110 Ca 0.00 0.00 -0.50 0.00 -2.18 0.00 0.00 60.65 57.97 2ka0 h LYS 110 Cb 0.35 0.00 0.06 0.00 -1.58 0.00 0.00 32.23 31.06 2ka0 h LYS 110 CO 0.00 0.56 0.38 0.42 -1.08 0.00 0.00 179.45 179.74 2ka0 s ILE 111 N -3.11 4.27 0.41 1.86 -1.09 -1.19 -4.81 121.20 117.54 2ka0 s ILE 111 Ca 0.02 0.91 0.07 0.00 -2.23 0.00 0.00 60.65 59.42 2ka0 s ILE 111 Cb 0.09 -3.59 -0.06 0.00 -1.58 0.00 0.00 42.46 37.32 2ka0 s ILE 111 CO 0.74 -0.79 0.10 -0.54 -1.23 0.00 0.00 174.94 173.22 2ka0 s LYS 112 N -4.57 2.10 0.00 2.79 -0.14 -1.26 -5.04 119.74 113.62 2ka0 s LYS 112 Ca 0.59 -1.98 0.00 0.00 -1.36 0.00 0.00 55.97 53.22 2ka0 s LYS 112 Cb -0.13 -1.82 0.00 0.00 -1.68 0.00 0.00 37.83 34.21 2ka0 s LYS 112 CO 0.44 -0.09 0.97 -3.47 -0.76 0.00 0.00 175.35 172.44 2ka0 n ASP 113 N -1.12 2.80 0.00 2.83 2.03 -1.26 -3.62 116.55 118.21 2ka0 n ASP 113 Ca -0.03 -1.71 0.00 0.00 0.52 0.00 0.00 54.79 53.57 2ka0 n ASP 113 Cb 0.66 -0.51 0.00 0.00 -0.72 0.00 0.00 41.12 40.55 2ka0 n ASP 113 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2ka0 n GLY 114 N 0.83 -1.82 0.12 0.27 0.00 -0.60 -4.61 105.19 99.37 2ka0 n GLY 114 Ca 0.00 0.76 0.04 0.00 0.00 0.00 0.00 46.02 46.82 2ka0 n GLY 114 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ka0 n GLU 115 N 0.00 2.42 -1.04 1.61 -0.58 -1.24 -4.88 120.64 116.93 2ka0 n GLU 115 Ca 0.00 -1.97 0.03 0.00 -0.42 0.00 0.00 57.16 54.80 2ka0 n GLU 115 Cb 0.00 -1.23 -0.02 0.00 -0.57 0.00 0.00 31.44 29.62 2ka0 n GLU 115 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2ka0 n LYS 116 N -0.73 -1.43 -4.37 3.49 4.76 -1.26 -4.24 118.16 114.38 2ka0 n LYS 116 Ca 0.07 1.14 -0.20 0.00 -2.87 0.00 0.00 58.31 56.45 2ka0 n LYS 116 Cb 0.43 -1.83 -0.10 0.00 -1.84 0.00 0.00 35.03 31.68 2ka0 n LYS 116 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2ka0 s VAL 117 N -4.66 1.91 -0.35 -0.18 0.11 -0.15 -4.21 120.40 112.87 2ka0 s VAL 117 Ca 0.00 -2.22 0.01 0.00 -2.93 0.00 0.00 61.98 56.84 2ka0 s VAL 117 Cb 0.00 -2.08 0.11 0.00 -1.53 0.00 0.00 36.38 32.88 2ka0 s VAL 117 CO 0.00 -0.52 0.12 0.00 -3.33 0.00 0.00 175.10 171.37 2ka0 s ALA 118 N -2.77 2.06 0.09 1.54 0.00 0.75 -1.31 121.76 122.12 2ka0 s ALA 118 Ca 0.23 -2.13 -0.28 0.00 0.00 0.00 0.00 51.96 49.78 2ka0 s ALA 118 Cb -0.02 -1.78 -0.06 0.00 0.00 0.00 0.00 23.12 21.26 2ka0 s ALA 118 CO 0.09 -1.77 0.88 0.08 0.00 0.00 0.00 175.76 175.04 2ka0 s VAL 119 N 1.12 4.59 0.00 0.00 1.01 0.82 -1.18 120.40 126.76 2ka0 s VAL 119 Ca 0.12 1.89 0.00 0.00 0.00 0.00 0.00 61.98 63.99 2ka0 s VAL 119 Cb -0.19 -4.24 -0.00 0.00 0.00 0.00 0.00 36.38 31.95 2ka0 s VAL 119 CO -0.15 0.34 0.00 0.54 0.00 0.00 0.00 175.10 175.83 2ka0 n ARG 120 N 2.77 0.00 -0.19 2.72 1.74 0.06 -1.62 116.66 122.15 2ka0 n ARG 120 Ca 0.00 -0.03 0.12 0.00 -0.77 0.00 0.00 57.85 57.17 2ka0 n ARG 120 Cb 0.50 0.03 0.23 0.00 -1.02 0.00 0.00 32.46 32.20 2ka0 n ARG 120 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 2ka0 n PHE 121 N -0.01 0.49 -2.67 -1.55 3.72 -1.26 -0.57 117.46 115.61 2ka0 n PHE 121 Ca 0.00 -0.25 -0.01 0.00 -0.05 0.00 0.00 57.45 57.14 2ka0 n PHE 121 Cb 0.01 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.55 2ka0 n PHE 121 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2ka0 n ALA 122 N 1.39 -2.40 -0.84 4.37 0.00 -1.26 -2.95 120.51 118.83 2ka0 n ALA 122 Ca 0.19 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.79 2ka0 n ALA 122 Cb 0.58 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.57 2ka0 n ALA 122 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2ka0 n SER 123 N -1.38 -1.44 0.00 0.00 2.88 -1.26 -4.89 113.62 107.52 2ka0 n SER 123 Ca 0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 2ka0 n SER 123 Cb 0.48 -1.45 0.00 0.00 -0.75 0.00 0.00 64.21 62.48 2ka0 n SER 123 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61