#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 2.85 -0.05 2.12 1.81 -1.26 -2.70 118.95 121.73 2ka0 s ARG 2 Ca 0.00 0.56 -0.12 0.00 -1.72 0.00 0.00 55.73 54.46 2ka0 s ARG 2 Cb 0.00 -2.01 0.02 0.00 -0.45 0.00 0.00 34.95 32.51 2ka0 s ARG 2 CO 0.00 -1.06 0.27 0.08 -0.68 0.00 0.00 175.30 173.90 2ka0 s VAL 3 N -3.28 0.04 -0.08 3.52 1.01 -0.64 -4.40 120.40 116.56 2ka0 s VAL 3 Ca 0.58 -0.34 0.04 0.00 0.00 0.00 0.00 61.98 62.26 2ka0 s VAL 3 Cb -0.12 -0.50 -0.00 0.00 0.00 0.00 0.00 36.38 35.76 2ka0 s VAL 3 CO 0.53 -0.19 -0.23 -0.70 0.00 0.00 0.00 175.10 174.51 2ka0 s GLU 4 N -0.79 2.79 -0.23 2.72 2.12 0.21 -1.07 118.70 124.45 2ka0 s GLU 4 Ca -0.09 -0.85 -0.06 0.00 0.36 0.00 0.00 54.97 54.34 2ka0 s GLU 4 Cb -0.05 -2.18 -0.02 0.00 0.26 0.00 0.00 34.13 32.14 2ka0 s GLU 4 CO 0.02 0.23 0.01 -0.51 -0.54 0.00 0.00 175.26 174.47 2ka0 s LEU 5 N 0.21 3.21 0.01 2.70 1.43 -0.39 -0.76 118.68 125.09 2ka0 s LEU 5 Ca -0.14 -0.27 0.07 0.00 -1.03 0.00 0.00 54.13 52.76 2ka0 s LEU 5 Cb -0.16 -1.84 -0.02 0.00 0.03 0.00 0.00 46.19 44.20 2ka0 s LEU 5 CO 0.07 -0.00 -0.22 -0.22 0.23 0.00 0.00 176.35 176.21 2ka0 s LEU 6 N 1.40 2.10 0.29 1.79 0.20 -0.12 -0.37 118.68 123.96 2ka0 s LEU 6 Ca 0.05 -0.45 0.02 0.00 0.69 0.00 0.00 54.13 54.44 2ka0 s LEU 6 Cb -0.15 -1.07 -0.04 0.00 -0.43 0.00 0.00 46.19 44.50 2ka0 s LEU 6 CO 0.01 0.23 0.12 -0.36 -0.29 0.00 0.00 176.35 176.05 2ka0 s PHE 7 N -0.63 1.60 0.34 5.38 0.08 0.07 0.46 117.98 125.27 2ka0 s PHE 7 Ca 0.08 -1.25 0.03 0.00 0.12 0.00 0.00 56.93 55.91 2ka0 s PHE 7 Cb -0.09 -0.92 0.60 0.00 -0.57 0.00 0.00 43.02 42.05 2ka0 s PHE 7 CO 0.00 -0.38 1.93 0.93 -0.10 0.00 0.00 175.22 177.60 2ka0 h GLU 8 N 2.27 0.69 -0.01 0.44 4.39 -1.26 -3.19 114.58 117.90 2ka0 h GLU 8 Ca -0.36 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.24 2ka0 h GLU 8 Cb 1.25 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.77 2ka0 h GLU 8 CO 0.58 0.57 -0.53 0.43 -1.16 0.00 0.00 179.01 178.90 2ka0 n SER 9 N -4.36 1.77 0.00 1.42 7.64 -1.26 -5.07 113.62 113.77 2ka0 n SER 9 Ca 0.04 -1.38 0.00 0.00 1.01 0.00 0.00 58.87 58.53 2ka0 n SER 9 Cb 0.15 0.56 0.00 0.00 -1.01 0.00 0.00 64.21 63.92 2ka0 n SER 9 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ka0 n GLY 10 N 1.37 -0.81 3.64 0.23 0.00 -1.21 -4.98 105.19 103.44 2ka0 n GLY 10 Ca 0.08 -0.79 -0.09 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.50 1.51 0.33 1.61 -2.85 -1.26 -0.75 119.74 117.83 2ka0 s LYS 11 Ca 0.00 -0.72 -0.01 0.00 -1.00 0.00 0.00 55.97 54.24 2ka0 s LYS 11 Cb 0.00 0.59 -0.00 0.00 -2.06 0.00 0.00 37.83 36.35 2ka0 s LYS 11 CO 0.00 -0.68 0.44 0.00 0.10 0.00 0.00 175.35 175.21 2ka0 s VAL 13 N -3.18 0.59 0.06 0.00 1.01 -0.60 -1.26 120.40 117.02 2ka0 s VAL 13 Ca 0.32 -0.16 0.06 0.00 0.00 0.00 0.00 61.98 62.20 2ka0 s VAL 13 Cb 0.00 -0.60 -0.03 0.00 0.00 0.00 0.00 36.38 35.75 2ka0 s VAL 13 CO 0.21 0.23 -0.17 0.27 0.00 0.00 0.00 175.10 175.64 2ka0 s ILE 14 N 0.83 1.35 -0.07 2.22 -4.36 -0.23 -2.28 121.20 118.66 2ka0 s ILE 14 Ca -0.12 -1.20 0.01 0.00 -0.26 0.00 0.00 60.65 59.08 2ka0 s ILE 14 Cb -0.14 -1.22 0.02 0.00 1.25 0.00 0.00 42.46 42.36 2ka0 s ILE 14 CO 0.01 -0.00 -0.08 -0.62 0.24 0.00 0.00 174.94 174.48 2ka0 s ASP 15 N -1.39 1.55 -0.10 4.36 2.15 -0.27 -1.62 116.67 121.35 2ka0 s ASP 15 Ca 0.03 -0.23 0.02 0.00 0.43 0.00 0.00 52.55 52.80 2ka0 s ASP 15 Cb -0.09 -0.68 0.01 0.00 -0.30 0.00 0.00 42.92 41.86 2ka0 s ASP 15 CO 0.02 -0.03 -0.16 -0.76 -0.17 0.00 0.00 175.17 174.07 2ka0 s LEU 16 N 0.98 1.77 -0.04 -1.34 2.01 -1.10 -1.79 118.68 119.17 2ka0 s LEU 16 Ca -0.09 -0.43 -0.30 0.00 0.01 0.00 0.00 54.13 53.31 2ka0 s LEU 16 Cb -0.15 -1.11 -0.05 0.00 0.01 0.00 0.00 46.19 44.90 2ka0 s LEU 16 CO 0.00 0.03 1.49 0.21 1.01 0.00 0.00 176.35 179.09 2ka0 s ASN 17 N 0.89 6.78 0.00 2.29 2.47 -1.13 -4.09 114.94 122.15 2ka0 s ASN 17 Ca -0.08 2.12 0.05 0.00 0.42 0.00 0.00 52.86 55.37 2ka0 s ASN 17 Cb -0.15 -2.55 0.32 0.00 -1.45 0.00 0.00 41.25 37.42 2ka0 s ASN 17 CO -0.00 -0.81 0.79 -0.62 -3.72 0.00 0.00 177.10 172.74 2ka0 n GLU 18 N 6.20 0.50 0.00 0.43 1.02 -1.26 -3.31 120.64 124.21 2ka0 n GLU 18 Ca 0.15 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.43 2ka0 n GLU 18 Cb 0.43 -1.17 0.53 0.00 -0.02 0.00 0.00 31.44 31.21 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 -0.67 0.58 -4.19 3.49 1.02 -1.26 -4.77 120.64 114.85 2ka0 n GLU 19 Ca 0.04 -0.24 -0.34 0.00 -0.02 0.00 0.00 57.16 56.60 2ka0 n GLU 19 Cb 0.02 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 29.86 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 -2.58 3.25 0.14 -0.32 2.02 -1.21 -5.02 117.35 113.63 2ka0 s TYR 20 Ca 0.25 0.22 -0.30 0.00 -0.37 0.00 0.00 57.07 56.86 2ka0 s TYR 20 Cb 0.19 -1.76 -0.06 0.00 -0.40 0.00 0.00 41.96 39.93 2ka0 s TYR 20 CO 0.51 0.53 1.55 1.49 -1.57 0.00 0.00 175.55 178.07 2ka0 h GLU 21 N 4.54 -0.31 -0.52 -0.62 4.57 -1.89 -2.57 114.58 117.77 2ka0 h GLU 21 Ca -0.50 0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 57.68 2ka0 h GLU 21 Cb 1.19 0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.82 2ka0 h GLU 21 CO 0.59 -0.21 0.23 -0.24 -1.18 0.00 0.00 179.01 178.20 2ka0 h VAL 22 N -0.32 1.18 -0.56 0.32 3.04 -1.96 -0.93 116.25 117.03 2ka0 h VAL 22 Ca 0.11 -0.54 -0.03 0.00 -1.01 0.00 0.00 66.70 65.23 2ka0 h VAL 22 Cb 0.58 0.54 -0.02 0.00 -2.01 0.00 0.00 31.29 30.37 2ka0 h VAL 22 CO -0.64 0.22 0.21 0.58 -1.01 0.00 0.00 177.57 176.93 2ka0 h VAL 23 N 0.74 1.23 -0.52 1.51 2.07 -1.78 0.20 116.25 119.70 2ka0 h VAL 23 Ca 0.18 -0.72 -0.01 0.00 0.82 0.00 0.00 66.70 66.98 2ka0 h VAL 23 Cb 0.11 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 2ka0 h VAL 23 CO -0.02 0.27 0.29 0.11 0.02 0.00 0.00 177.57 178.24 2ka0 h LYS 24 N 0.76 0.72 -0.33 1.57 1.57 -1.10 -3.15 116.57 116.62 2ka0 h LYS 24 Ca 0.18 -0.08 -0.14 0.00 -1.87 0.00 0.00 60.65 58.74 2ka0 h LYS 24 Cb 0.22 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 2ka0 h LYS 24 CO -0.01 0.56 -0.35 -0.07 -0.57 0.00 0.00 179.45 179.00 2ka0 h LEU 25 N 0.69 0.78 -1.02 2.94 -0.00 -0.69 -2.78 115.31 115.23 2ka0 h LEU 25 Ca 0.18 -0.33 0.14 0.00 -0.00 0.00 0.00 57.88 57.87 2ka0 h LEU 25 Cb 0.04 -0.22 -0.09 0.00 -0.00 0.00 0.00 40.66 40.40 2ka0 h LEU 25 CO -0.03 1.05 0.63 -0.07 -0.00 0.00 0.00 178.44 180.02 2ka0 h LEU 26 N 0.62 0.88 -1.60 1.67 3.38 -0.95 -2.51 115.31 116.80 2ka0 h LEU 26 Ca 0.06 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 2ka0 h LEU 26 Cb 0.89 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 2ka0 h LEU 26 CO 0.08 0.43 -0.03 0.50 0.09 0.00 0.00 178.44 179.51 2ka0 h LYS 27 N 0.93 0.22 0.00 1.13 3.64 -1.45 0.29 116.57 121.32 2ka0 h LYS 27 Ca 0.52 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.86 2ka0 h LYS 27 Cb 0.60 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 2ka0 h LYS 27 CO -0.29 0.27 0.00 0.39 -2.27 0.00 0.00 179.45 177.55 2ka0 n GLU 28 N -4.38 0.07 -1.13 1.90 -0.58 -0.95 -3.30 120.64 112.27 2ka0 n GLU 28 Ca -0.01 0.17 0.04 0.00 -0.42 0.00 0.00 57.16 56.95 2ka0 n GLU 28 Cb 0.18 -1.50 0.10 0.00 -0.57 0.00 0.00 31.44 29.66 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 -1.45 0.76 -4.45 3.49 4.76 0.06 -5.03 118.16 116.30 2ka0 n LYS 29 Ca 0.05 -2.62 -0.21 0.00 -2.87 0.00 0.00 58.31 52.67 2ka0 n LYS 29 Cb 0.19 -0.75 -0.14 0.00 -1.84 0.00 0.00 35.03 32.49 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 -1.52 1.15 0.84 -0.18 1.01 -1.02 -4.11 121.20 117.37 2ka0 s ILE 30 Ca 0.36 -0.92 -0.11 0.00 0.00 0.00 0.00 60.65 59.98 2ka0 s ILE 30 Cb 0.38 -1.02 0.10 0.00 0.01 0.00 0.00 42.46 41.93 2ka0 s ILE 30 CO -0.12 0.10 1.14 -2.16 0.00 0.00 0.00 174.94 173.89 2ka0 s PRO 31 N -0.94 1.61 0.12 2.79 0.04 -1.26 -4.98 135.00 132.38 2ka0 s PRO 31 Ca 0.03 1.46 -0.12 0.00 0.04 0.00 0.00 61.00 62.41 2ka0 s PRO 31 Cb -0.07 -1.80 0.01 0.00 0.04 0.00 0.00 34.50 32.68 2ka0 s PRO 31 CO 0.01 -2.18 0.30 -0.59 0.04 0.00 0.00 177.00 174.58 2ka0 s PHE 32 N -2.62 0.02 0.27 0.56 -0.71 -0.53 -5.00 117.98 109.97 2ka0 s PHE 32 Ca 0.66 -0.40 0.10 0.00 -1.04 0.00 0.00 56.93 56.25 2ka0 s PHE 32 Cb -0.22 0.09 -0.04 0.00 -1.21 0.00 0.00 43.02 41.64 2ka0 s PHE 32 CO 0.55 -0.65 -0.04 -1.21 -1.34 0.00 0.00 175.22 172.53 2ka0 s GLU 33 N -3.85 2.17 0.18 1.99 2.02 -1.26 0.16 118.70 120.11 2ka0 s GLU 33 Ca 0.06 -1.50 -0.24 0.00 0.02 0.00 0.00 54.97 53.31 2ka0 s GLU 33 Cb 0.03 -2.08 0.07 0.00 0.10 0.00 0.00 34.13 32.25 2ka0 s GLU 33 CO -0.10 0.35 0.97 0.45 0.02 0.00 0.00 175.26 176.95 2ka0 s SER 34 N -3.65 -0.12 -0.09 -0.19 0.15 -1.17 -4.96 113.70 103.67 2ka0 s SER 34 Ca 0.31 -0.51 -0.30 0.00 0.70 0.00 0.00 55.95 56.15 2ka0 s SER 34 Cb -0.06 0.51 -0.02 0.00 -1.71 0.00 0.00 66.02 64.74 2ka0 s SER 34 CO 0.19 -0.97 1.18 -0.69 1.20 0.00 0.00 173.24 174.15 2ka0 s VAL 35 N -2.98 4.34 -1.36 4.45 1.01 -1.26 -0.67 120.40 123.93 2ka0 s VAL 35 Ca 0.15 1.65 -0.15 0.00 0.00 0.00 0.00 61.98 63.62 2ka0 s VAL 35 Cb -0.02 -4.06 0.07 0.00 0.00 0.00 0.00 36.38 32.37 2ka0 s VAL 35 CO 0.04 -0.03 1.93 0.52 0.00 0.00 0.00 175.10 177.55 2ka0 n VAL 36 N 4.78 3.80 -1.11 2.92 0.31 -1.26 -4.25 118.33 123.53 2ka0 n VAL 36 Ca 0.11 -3.72 -0.30 0.00 -0.01 0.00 0.00 64.34 60.42 2ka0 n VAL 36 Cb 0.46 -2.47 0.14 0.00 -0.91 0.00 0.00 33.84 31.06 2ka0 n VAL 36 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 2ka0 s ASN 37 N 3.40 3.40 0.06 4.52 0.01 0.19 -3.16 114.94 123.36 2ka0 s ASN 37 Ca 0.49 1.62 0.01 0.00 -0.71 0.00 0.00 52.86 54.27 2ka0 s ASN 37 Cb 0.08 -2.28 -0.03 0.00 0.41 0.00 0.00 41.25 39.42 2ka0 s ASN 37 CO -0.00 -2.71 -0.05 0.42 -1.51 0.00 0.00 177.10 173.24 2ka0 s THR 38 N -2.86 0.45 -0.30 1.60 -4.23 -1.26 -1.77 115.64 107.27 2ka0 s THR 38 Ca 0.64 -1.51 0.04 0.00 -1.18 0.00 0.00 61.69 59.68 2ka0 s THR 38 Cb -0.19 -1.12 0.18 0.00 1.34 0.00 0.00 72.50 72.71 2ka0 s THR 38 CO 0.57 -0.71 0.49 0.86 -0.54 0.00 0.00 174.62 175.30 2ka0 s TRP 39 N -2.73 -1.37 0.00 3.99 -0.00 -0.87 -4.95 118.94 113.01 2ka0 s TRP 39 Ca 0.00 0.59 0.00 0.00 -0.00 0.00 0.00 56.10 56.69 2ka0 s TRP 39 Cb -0.01 0.05 0.00 0.00 -0.00 0.00 0.00 33.47 33.51 2ka0 s TRP 39 CO -0.04 -1.04 0.00 0.41 -0.00 0.00 0.00 176.95 176.28 2ka0 n GLY 40 N 5.30 1.28 2.19 5.86 0.00 -1.26 -2.64 105.19 115.91 2ka0 n GLY 40 Ca 0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 46.02 46.02 2ka0 n GLY 40 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2ka0 n GLU 41 N 0.00 0.77 -3.82 1.61 2.13 -1.26 -4.94 120.64 115.12 2ka0 n GLU 41 Ca 0.00 -0.71 -0.09 0.00 0.66 0.00 0.00 57.16 57.02 2ka0 n GLU 41 Cb 0.00 0.23 -0.04 0.00 0.27 0.00 0.00 31.44 31.90 2ka0 n GLU 41 CO 0.00 0.00 0.00 -1.83 -0.41 0.00 0.00 177.13 174.89 2ka0 s GLU 42 N 0.08 1.51 -0.03 5.31 4.04 -1.08 -2.94 118.70 125.59 2ka0 s GLU 42 Ca 0.05 -0.98 0.01 0.00 0.04 0.00 0.00 54.97 54.10 2ka0 s GLU 42 Cb 0.25 0.53 0.01 0.00 0.02 0.00 0.00 34.13 34.94 2ka0 s GLU 42 CO -0.07 -0.65 -0.04 0.42 -1.84 0.00 0.00 175.26 173.07 2ka0 s ILE 43 N -3.92 0.44 0.16 1.83 1.01 -1.12 -2.06 121.20 117.55 2ka0 s ILE 43 Ca 0.13 -0.13 0.06 0.00 0.00 0.00 0.00 60.65 60.70 2ka0 s ILE 43 Cb -0.02 -0.45 -0.04 0.00 0.01 0.00 0.00 42.46 41.96 2ka0 s ILE 43 CO 0.02 0.18 -0.12 -0.72 0.00 0.00 0.00 174.94 174.30 2ka0 s TYR 44 N 0.54 1.40 0.06 3.97 -0.85 -0.73 -1.72 117.35 120.02 2ka0 s TYR 44 Ca -0.06 -0.68 -0.07 0.00 -0.52 0.00 0.00 57.07 55.73 2ka0 s TYR 44 Cb -0.10 -0.69 -0.01 0.00 0.38 0.00 0.00 41.96 41.54 2ka0 s TYR 44 CO -0.00 0.17 0.14 -0.59 -1.52 0.00 0.00 175.55 173.74 2ka0 s PHE 45 N -3.07 0.19 -0.75 -3.49 -0.12 -1.26 -0.64 117.98 108.85 2ka0 s PHE 45 Ca 0.17 -0.56 -0.26 0.00 -0.05 0.00 0.00 56.93 56.23 2ka0 s PHE 45 Cb 0.01 -0.12 0.01 0.00 -0.63 0.00 0.00 43.02 42.29 2ka0 s PHE 45 CO 0.03 -0.46 1.52 -1.54 -0.05 0.00 0.00 175.22 174.72 2ka0 s SER 46 N -2.54 5.87 0.43 1.98 1.04 -1.26 -2.52 113.70 116.70 2ka0 s SER 46 Ca 0.01 -0.37 -0.24 0.00 0.48 0.00 0.00 55.95 55.83 2ka0 s SER 46 Cb 0.03 -2.55 -0.08 0.00 0.10 0.00 0.00 66.02 63.52 2ka0 s SER 46 CO -0.08 -2.02 1.20 0.42 0.98 0.00 0.00 173.24 173.74 2ka0 s THR 47 N 6.93 2.99 0.16 2.02 -4.23 -0.85 -4.89 115.64 117.77 2ka0 s THR 47 Ca 0.48 0.80 0.11 0.00 -1.18 0.00 0.00 61.69 61.91 2ka0 s THR 47 Cb -0.08 -3.44 -0.06 0.00 1.34 0.00 0.00 72.50 70.26 2ka0 s THR 47 CO 0.12 0.05 1.50 1.55 -0.54 0.00 0.00 174.62 177.30 2ka0 h PRO 48 N 2.37 0.00 -6.88 3.99 0.13 -1.92 -3.43 132.00 126.25 2ka0 h PRO 48 Ca -0.49 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.12 2ka0 h PRO 48 Cb 1.24 0.00 0.06 0.00 0.13 0.00 0.00 31.00 32.44 2ka0 h PRO 48 CO 0.61 0.70 0.63 0.54 -0.23 0.00 0.00 178.00 180.25 2ka0 s VAL 49 N -3.24 2.75 -0.21 1.56 0.11 -1.26 -5.03 120.40 115.08 2ka0 s VAL 49 Ca 0.00 0.75 0.02 0.00 -2.93 0.00 0.00 61.98 59.82 2ka0 s VAL 49 Cb 0.11 -3.48 0.04 0.00 -1.53 0.00 0.00 36.38 31.52 2ka0 s VAL 49 CO 0.77 0.17 -0.14 0.20 -3.33 0.00 0.00 175.10 172.78 2ka0 s ASN 50 N -0.53 3.62 0.10 3.54 0.01 -1.26 -4.88 114.94 115.54 2ka0 s ASN 50 Ca 0.49 -0.96 0.04 0.00 -0.71 0.00 0.00 52.86 51.72 2ka0 s ASN 50 Cb -0.39 -1.41 -0.03 0.00 0.41 0.00 0.00 41.25 39.83 2ka0 s ASN 50 CO 0.52 -0.11 -0.11 -0.69 -1.51 0.00 0.00 177.10 175.19 2ka0 s VAL 51 N 1.27 1.04 -0.04 1.60 1.01 -1.26 -5.07 120.40 118.96 2ka0 s VAL 51 Ca -0.02 -1.59 0.07 0.00 0.00 0.00 0.00 61.98 60.45 2ka0 s VAL 51 Cb -0.16 -1.33 0.12 0.00 0.00 0.00 0.00 36.38 35.02 2ka0 s VAL 51 CO -0.09 -0.47 1.06 0.00 0.00 0.00 0.00 175.10 175.60 2ka0 n GLN 52 N 0.69 0.35 -3.33 2.72 6.02 -1.26 -4.60 117.38 117.98 2ka0 n GLN 52 Ca -0.17 -1.54 -0.40 0.00 -0.01 0.00 0.00 57.00 54.88 2ka0 n GLN 52 Cb 0.57 -0.72 -0.08 0.00 1.02 0.00 0.00 30.24 31.03 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 -0.77 4.00 -0.19 -1.09 2.20 -1.26 -5.07 119.74 117.56 2ka0 s LYS 53 Ca 0.12 0.12 -0.01 0.00 -0.36 0.00 0.00 55.97 55.84 2ka0 s LYS 53 Cb 0.12 -3.67 0.05 0.00 -1.51 0.00 0.00 37.83 32.82 2ka0 s LYS 53 CO -0.01 -0.33 -0.03 0.00 -0.36 0.00 0.00 175.35 174.62 2ka0 s MET 54 N 2.17 1.26 0.23 4.03 0.23 -1.26 -4.73 119.30 121.23 2ka0 s MET 54 Ca 0.17 -0.59 0.14 0.00 -1.03 0.00 0.00 55.69 54.38 2ka0 s MET 54 Cb -0.16 -2.14 -0.00 0.00 -1.53 0.00 0.00 34.83 31.00 2ka0 s MET 54 CO 0.10 -0.52 1.35 0.93 -2.03 0.00 0.00 175.02 174.85 2ka0 h GLU 55 N 8.12 0.00 -2.09 3.16 4.39 -1.99 -3.40 114.58 122.77 2ka0 h GLU 55 Ca -0.21 0.00 -0.52 0.00 0.34 0.00 0.00 59.36 58.98 2ka0 h GLU 55 Cb 1.10 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 29.35 2ka0 h GLU 55 CO 0.38 0.56 -1.03 -1.71 -1.16 0.00 0.00 179.01 176.06 2ka0 n ASN 56 N -3.21 1.90 -4.55 1.42 5.15 -1.26 -5.05 115.26 109.66 2ka0 n ASN 56 Ca 0.00 -3.20 -0.33 0.00 -0.60 0.00 0.00 54.58 50.45 2ka0 n ASN 56 Cb 0.78 -0.60 -0.04 0.00 -0.53 0.00 0.00 39.78 39.39 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 -2.68 2.64 0.69 1.20 0.04 -1.26 -3.30 135.00 132.33 2ka0 s PRO 57 Ca 0.42 0.14 -0.07 0.00 0.04 0.00 0.00 61.00 61.54 2ka0 s PRO 57 Cb 0.32 -4.70 0.05 0.00 0.04 0.00 0.00 34.50 30.21 2ka0 s PRO 57 CO -0.10 -2.98 1.01 1.03 0.04 0.00 0.00 177.00 176.00 2ka0 s ARG 58 N 6.93 2.29 0.00 4.56 0.52 -0.87 -4.89 118.95 127.49 2ka0 s ARG 58 Ca 0.67 -0.21 0.00 0.00 -0.52 0.00 0.00 55.73 55.67 2ka0 s ARG 58 Cb -0.10 -2.18 0.00 0.00 0.52 0.00 0.00 34.95 33.20 2ka0 s ARG 58 CO 0.10 -1.18 0.64 0.39 0.02 0.00 0.00 175.30 175.27 2ka0 n GLU 59 N -2.89 0.71 -4.00 3.54 1.02 -1.26 -3.09 120.64 114.67 2ka0 n GLU 59 Ca 0.08 -0.83 -0.09 0.00 -0.02 0.00 0.00 57.16 56.30 2ka0 n GLU 59 Cb 0.60 -0.90 -0.11 0.00 -0.02 0.00 0.00 31.44 31.01 2ka0 n GLU 59 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2ka0 s VAL 60 N -0.38 0.13 0.18 2.62 1.01 -1.26 -4.50 120.40 118.21 2ka0 s VAL 60 Ca 0.00 -1.04 0.03 0.00 0.00 0.00 0.00 61.98 60.97 2ka0 s VAL 60 Cb 0.00 -0.44 -0.01 0.00 0.00 0.00 0.00 36.38 35.93 2ka0 s VAL 60 CO 0.00 -0.57 0.19 1.33 0.00 0.00 0.00 175.10 176.05 2ka0 n VAL 61 N 1.39 0.00 -4.31 2.92 0.24 -1.25 -5.06 118.33 112.26 2ka0 n VAL 61 Ca -0.23 -1.22 -0.28 0.00 -2.04 0.00 0.00 64.34 60.57 2ka0 n VAL 61 Cb 0.56 0.64 -0.03 0.00 -1.47 0.00 0.00 33.84 33.54 2ka0 n VAL 61 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2ka0 n GLU 62 N -0.34 0.76 0.00 7.34 1.02 -1.26 -4.78 120.64 123.39 2ka0 n GLU 62 Ca 0.03 -3.44 0.00 0.00 -0.02 0.00 0.00 57.16 53.73 2ka0 n GLU 62 Cb 0.33 0.66 0.00 0.00 -0.02 0.00 0.00 31.44 32.41 2ka0 n GLU 62 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2ka0 n ILE 63 N -1.48 0.00 -2.50 -3.67 5.41 -1.26 -3.60 119.36 112.26 2ka0 n ILE 63 Ca -0.11 0.00 0.02 0.00 1.00 0.00 0.00 62.75 63.65 2ka0 n ILE 63 Cb 0.61 -0.08 0.02 0.00 -0.71 0.00 0.00 39.64 39.48 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 0.35 1.12 3.54 7.39 0.00 -1.17 -4.04 105.19 112.39 2ka0 n GLY 64 Ca 0.00 -0.75 -0.25 0.00 0.00 0.00 0.00 46.02 45.02 2ka0 n GLY 64 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ka0 s ASP 65 N -2.18 3.22 -0.11 1.61 1.11 -1.24 -1.37 116.67 117.73 2ka0 s ASP 65 Ca 0.27 -1.36 -0.04 0.00 0.18 0.00 0.00 52.55 51.60 2ka0 s ASP 65 Cb 0.33 -0.26 0.05 0.00 1.07 0.00 0.00 42.92 44.10 2ka0 s ASP 65 CO -0.12 -0.51 0.07 -0.69 1.18 0.00 0.00 175.17 175.11 2ka0 s VAL 66 N -2.96 -0.09 0.64 -1.27 1.01 -0.44 -1.83 120.40 115.47 2ka0 s VAL 66 Ca 0.35 0.11 -0.05 0.00 0.00 0.00 0.00 61.98 62.40 2ka0 s VAL 66 Cb 0.09 -0.38 0.14 0.00 0.00 0.00 0.00 36.38 36.23 2ka0 s VAL 66 CO 0.17 -0.06 0.87 0.61 0.00 0.00 0.00 175.10 176.69 2ka0 n GLY 67 N 5.29 -0.19 3.05 4.51 0.00 -0.84 -1.71 105.19 115.30 2ka0 n GLY 67 Ca -0.05 -1.88 -0.21 0.00 0.00 0.00 0.00 46.02 43.88 2ka0 n GLY 67 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2ka0 s TYR 68 N -2.69 1.05 -0.73 1.61 5.04 -0.96 -3.08 117.35 117.60 2ka0 s TYR 68 Ca 0.54 -0.22 0.02 0.00 -2.44 0.00 0.00 57.07 54.97 2ka0 s TYR 68 Cb -0.02 -0.70 0.18 0.00 0.35 0.00 0.00 41.96 41.77 2ka0 s TYR 68 CO 0.36 -0.05 0.54 -0.46 -1.34 0.00 0.00 175.55 174.61 2ka0 s TRP 69 N -0.14 3.60 0.15 4.97 -0.00 -0.38 -4.02 118.94 123.13 2ka0 s TRP 69 Ca 0.02 -3.17 -0.16 0.00 -0.00 0.00 0.00 56.10 52.79 2ka0 s TRP 69 Cb -0.06 -2.93 0.05 0.00 -0.00 0.00 0.00 33.47 30.53 2ka0 s TRP 69 CO -0.00 -0.66 1.76 -1.35 -0.00 0.00 0.00 176.95 176.71 2ka0 h PRO 70 N 5.89 0.32 0.00 5.86 0.11 -1.81 -0.84 132.00 141.53 2ka0 h PRO 70 Ca 0.10 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.17 2ka0 h PRO 70 Cb 0.81 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.84 2ka0 h PRO 70 CO 0.75 0.21 -0.10 -1.00 -0.21 0.00 0.00 178.00 177.66 2ka0 h PRO 71 N 0.33 0.00 0.00 1.05 0.13 -1.94 -1.81 132.00 129.77 2ka0 h PRO 71 Ca 0.16 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.28 2ka0 h PRO 71 Cb 0.10 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.20 2ka0 h PRO 71 CO -0.14 0.10 -0.39 0.41 -0.23 0.00 0.00 178.00 177.76 2ka0 n GLY 72 N -0.22 4.52 4.02 1.56 0.00 -1.22 -5.03 105.19 108.82 2ka0 n GLY 72 Ca -0.01 -1.16 -0.28 0.00 0.00 0.00 0.00 46.02 44.58 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 -1.04 -2.54 -3.92 1.61 5.02 -0.64 -4.94 118.16 111.70 2ka0 n LYS 73 Ca 0.16 0.33 -0.19 0.00 -2.02 0.00 0.00 58.31 56.58 2ka0 n LYS 73 Cb 0.71 -4.22 -0.06 0.00 -0.02 0.00 0.00 35.03 31.44 2ka0 n LYS 73 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ka0 n ALA 74 N -4.45 0.51 -3.26 7.82 0.00 -0.42 -2.01 120.51 118.70 2ka0 n ALA 74 Ca -0.30 -1.67 -0.03 0.00 0.00 0.00 0.00 53.44 51.45 2ka0 n ALA 74 Cb 0.68 1.19 0.00 0.00 0.00 0.00 0.00 19.45 21.33 2ka0 n ALA 74 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2ka0 n LEU 75 N 0.00 0.00 -3.59 0.00 7.94 -1.05 -1.24 117.00 119.06 2ka0 n LEU 75 Ca -0.01 -0.27 -0.15 0.00 -1.11 0.00 0.00 56.01 54.48 2ka0 n LEU 75 Cb 0.50 -0.02 -0.06 0.00 0.53 0.00 0.00 43.42 44.37 2ka0 n LEU 75 CO 0.26 -0.41 0.28 0.00 -1.11 0.00 0.00 177.39 176.42 2ka0 s LEU 77 N -1.72 0.78 -0.33 0.00 1.43 -0.70 -1.98 118.68 116.16 2ka0 s LEU 77 Ca -0.08 -1.19 -0.20 0.00 -1.03 0.00 0.00 54.13 51.64 2ka0 s LEU 77 Cb -0.01 -0.42 -0.00 0.00 0.03 0.00 0.00 46.19 45.79 2ka0 s LEU 77 CO 0.02 -0.41 0.61 -0.36 0.23 0.00 0.00 176.35 176.43 2ka0 s PHE 78 N 2.03 3.19 0.00 0.29 0.08 -0.76 -2.80 117.98 120.01 2ka0 s PHE 78 Ca 0.07 0.44 0.00 0.00 0.12 0.00 0.00 56.93 57.56 2ka0 s PHE 78 Cb -0.16 -3.03 0.00 0.00 -0.57 0.00 0.00 43.02 39.26 2ka0 s PHE 78 CO -0.29 -0.53 0.71 1.97 -0.10 0.00 0.00 175.22 176.98 2ka0 n PHE 79 N 5.91 0.00 -0.64 0.36 -1.74 -1.22 -3.03 117.46 117.10 2ka0 n PHE 79 Ca -0.02 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.87 2ka0 n PHE 79 Cb 0.49 -0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.48 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 0.00 3.38 2.90 4.97 0.00 -1.15 -5.01 105.19 110.28 2ka0 n GLY 80 Ca 0.00 -0.33 -0.30 0.00 0.00 0.00 0.00 46.02 45.39 2ka0 n GLY 80 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2ka0 s LYS 81 N 3.17 1.30 0.93 1.61 2.36 -1.26 -4.83 119.74 123.02 2ka0 s LYS 81 Ca 0.00 -1.22 -0.12 0.00 -2.55 0.00 0.00 55.97 52.09 2ka0 s LYS 81 Cb 0.00 -2.56 0.15 0.00 -1.05 0.00 0.00 37.83 34.37 2ka0 s LYS 81 CO 0.00 -0.79 1.09 0.95 1.55 0.00 0.00 175.35 178.15 2ka0 s THR 82 N 1.35 2.47 -2.00 3.43 -4.23 -1.26 -4.74 115.64 110.65 2ka0 s THR 82 Ca 0.03 0.15 0.05 0.00 -1.18 0.00 0.00 61.69 60.74 2ka0 s THR 82 Cb -0.18 -2.61 0.14 0.00 1.34 0.00 0.00 72.50 71.18 2ka0 s THR 82 CO -0.12 -0.20 0.74 -0.81 -0.54 0.00 0.00 174.62 173.69 2ka0 n PRO 83 N -4.01 0.45 -4.91 3.99 -0.04 -1.26 -4.65 135.00 124.58 2ka0 n PRO 83 Ca 0.06 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.20 2ka0 n PRO 83 Cb 0.56 -1.17 -0.14 0.00 -0.04 0.00 0.00 33.50 32.70 2ka0 n PRO 83 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 2ka0 s MET 84 N -2.00 2.77 0.13 0.54 -1.94 -1.26 -5.01 119.30 112.53 2ka0 s MET 84 Ca 0.08 -0.72 0.00 0.00 -1.71 0.00 0.00 55.69 53.33 2ka0 s MET 84 Cb 0.03 -2.43 0.00 0.00 2.01 0.00 0.00 34.83 34.45 2ka0 s MET 84 CO 0.06 0.47 0.00 0.45 -0.01 0.00 0.00 175.02 175.99 2ka0 n SER 85 N 2.76 -1.79 0.00 3.03 2.88 -1.26 -3.79 113.62 115.44 2ka0 n SER 85 Ca -0.17 0.29 0.00 0.00 -1.33 0.00 0.00 58.87 57.66 2ka0 n SER 85 Cb 0.52 -1.07 0.00 0.00 -0.75 0.00 0.00 64.21 62.91 2ka0 n SER 85 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2ka0 n ASP 86 N -2.65 2.90 0.00 -3.46 -0.08 -1.26 -4.92 116.55 107.07 2ka0 n ASP 86 Ca -0.02 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.26 2ka0 n ASP 86 Cb 0.15 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.61 2ka0 n ASP 86 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2ka0 n ASP 87 N -2.60 0.00 -4.93 1.67 9.92 -1.26 -4.93 116.55 114.42 2ka0 n ASP 87 Ca 0.00 0.04 -0.27 0.00 -0.53 0.00 0.00 54.79 54.03 2ka0 n ASP 87 Cb 0.48 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.93 2ka0 n ASP 87 CO 0.00 0.00 0.00 -1.59 0.13 0.00 0.00 177.20 175.74 2ka0 s LYS 88 N -0.09 3.47 0.11 -1.24 -2.85 -1.26 -5.06 119.74 112.82 2ka0 s LYS 88 Ca 0.00 -0.48 -0.33 0.00 -1.00 0.00 0.00 55.97 54.16 2ka0 s LYS 88 Cb 0.00 -2.94 -0.12 0.00 -2.06 0.00 0.00 37.83 32.71 2ka0 s LYS 88 CO 0.00 0.50 1.72 -0.89 0.10 0.00 0.00 175.35 176.78 2ka0 n ILE 89 N -0.42 0.21 -4.25 3.79 5.41 -1.26 -4.73 119.36 118.10 2ka0 n ILE 89 Ca -0.06 -0.04 -0.22 0.00 1.00 0.00 0.00 62.75 63.44 2ka0 n ILE 89 Cb 0.53 -1.80 -0.12 0.00 -0.71 0.00 0.00 39.64 37.54 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 2.03 1.03 0.43 0.38 -0.21 -1.25 -3.89 119.66 118.19 2ka0 s GLN 90 Ca 0.82 -1.11 -0.07 0.00 0.02 0.00 0.00 55.36 55.02 2ka0 s GLN 90 Cb -0.61 -1.20 0.10 0.00 1.00 0.00 0.00 33.01 32.30 2ka0 s GLN 90 CO 0.40 0.27 0.59 -0.35 -2.12 0.00 0.00 175.29 174.08 2ka0 n PRO 91 N 1.09 -0.50 0.00 2.91 -0.04 -1.26 -4.56 135.00 132.64 2ka0 n PRO 91 Ca -0.20 -0.96 0.13 0.00 -0.04 0.00 0.00 63.50 62.43 2ka0 n PRO 91 Cb 0.54 -0.59 0.59 0.00 -0.04 0.00 0.00 33.50 34.00 2ka0 n PRO 91 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ka0 n ALA 92 N -3.34 2.26 -3.63 0.55 0.00 -1.26 -4.91 120.51 110.17 2ka0 n ALA 92 Ca -0.10 -0.09 0.09 0.00 0.00 0.00 0.00 53.44 53.34 2ka0 n ALA 92 Cb 0.26 -1.45 0.01 0.00 0.00 0.00 0.00 19.45 18.28 2ka0 n ALA 92 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2ka0 n SER 93 N -1.52 -0.92 -3.98 0.00 2.88 -1.26 -5.06 113.62 103.76 2ka0 n SER 93 Ca 0.07 -1.32 -0.38 0.00 -1.33 0.00 0.00 58.87 55.90 2ka0 n SER 93 Cb 0.33 1.46 -0.06 0.00 -0.75 0.00 0.00 64.21 65.18 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 -1.60 2.74 -1.77 -1.46 0.00 -1.26 -4.88 120.51 112.28 2ka0 n ALA 94 Ca -0.08 -3.21 -0.40 0.00 0.00 0.00 0.00 53.44 49.75 2ka0 n ALA 94 Cb 0.38 -3.58 -0.02 0.00 0.00 0.00 0.00 19.45 16.23 2ka0 n ALA 94 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2ka0 s VAL 95 N 7.21 2.89 -0.04 0.00 -7.23 -1.18 -4.62 120.40 117.43 2ka0 s VAL 95 Ca 0.61 0.84 -0.30 0.00 -1.81 0.00 0.00 61.98 61.32 2ka0 s VAL 95 Cb 0.09 -3.51 -0.04 0.00 0.56 0.00 0.00 36.38 33.48 2ka0 s VAL 95 CO 0.13 0.16 1.23 0.21 -0.31 0.00 0.00 175.10 176.51 2ka0 s ASN 96 N -0.75 7.03 -0.17 4.85 3.84 -1.26 -2.05 114.94 126.44 2ka0 s ASN 96 Ca 0.52 1.86 -0.05 0.00 0.21 0.00 0.00 52.86 55.40 2ka0 s ASN 96 Cb -0.36 -2.56 -0.15 0.00 -0.55 0.00 0.00 41.25 37.63 2ka0 s ASN 96 CO 0.47 -0.60 3.31 0.52 -2.79 0.00 0.00 177.10 178.02 2ka0 n VAL 97 N 4.58 3.11 0.30 -5.21 0.31 -1.21 -2.27 118.33 117.95 2ka0 n VAL 97 Ca 0.11 -2.04 0.18 0.00 -0.01 0.00 0.00 64.34 62.58 2ka0 n VAL 97 Cb 0.46 -1.85 0.94 0.00 -0.91 0.00 0.00 33.84 32.47 2ka0 n VAL 97 CO 0.00 0.00 0.00 0.16 -1.32 0.00 0.00 176.83 175.67 2ka0 h ILE 98 N 2.00 0.20 -1.99 2.52 3.07 -1.87 -3.44 117.51 118.00 2ka0 h ILE 98 Ca 0.26 -0.27 -0.61 0.00 1.55 0.00 0.00 64.86 65.79 2ka0 h ILE 98 Cb 1.23 1.22 -0.13 0.00 -0.27 0.00 0.00 36.82 38.86 2ka0 h ILE 98 CO 0.47 0.03 -0.69 -0.83 -1.05 0.00 0.00 178.15 176.08 2ka0 s GLY 99 N -4.17 2.12 0.04 0.16 0.00 -0.69 -2.85 107.32 101.93 2ka0 s GLY 99 Ca -0.03 -2.04 0.05 0.00 0.00 0.00 0.00 44.72 42.71 2ka0 s GLY 99 CO 0.50 -2.00 -0.15 1.25 0.00 0.00 0.00 173.10 172.70 2ka0 s LYS 100 N -3.61 0.97 -0.65 2.90 2.47 -0.74 -1.32 119.74 119.76 2ka0 s LYS 100 Ca 0.32 -0.77 -0.27 0.00 -1.56 0.00 0.00 55.97 53.69 2ka0 s LYS 100 Cb 0.01 -0.98 0.01 0.00 -1.46 0.00 0.00 37.83 35.40 2ka0 s LYS 100 CO 0.17 0.24 1.48 0.42 0.16 0.00 0.00 175.35 177.82 2ka0 s ILE 101 N -0.84 3.64 -0.17 5.43 1.01 -0.47 -1.11 121.20 128.69 2ka0 s ILE 101 Ca 0.02 0.44 0.20 0.00 0.00 0.00 0.00 60.65 61.31 2ka0 s ILE 101 Cb -0.08 -4.50 -0.10 0.00 0.01 0.00 0.00 42.46 37.79 2ka0 s ILE 101 CO 0.01 -1.38 0.86 1.33 0.00 0.00 0.00 174.94 175.76 2ka0 n VAL 102 N 6.76 0.75 -3.57 2.92 0.24 -0.97 -4.82 118.33 119.63 2ka0 n VAL 102 Ca 0.11 -0.60 -0.11 0.00 -2.04 0.00 0.00 64.34 61.69 2ka0 n VAL 102 Cb 0.50 -0.43 -0.04 0.00 -1.47 0.00 0.00 33.84 32.40 2ka0 n VAL 102 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2ka0 s GLU 103 N -3.21 1.11 0.00 7.34 2.02 -1.08 -5.02 118.70 119.86 2ka0 s GLU 103 Ca -0.03 -0.57 0.00 0.00 0.02 0.00 0.00 54.97 54.39 2ka0 s GLU 103 Cb 0.10 0.50 0.00 0.00 0.10 0.00 0.00 34.13 34.83 2ka0 s GLU 103 CO 0.82 -0.44 0.00 0.41 0.02 0.00 0.00 175.26 176.06 2ka0 n GLY 104 N -0.15 0.67 0.20 -1.39 0.00 -1.26 -1.56 105.19 101.70 2ka0 n GLY 104 Ca -0.17 -0.07 -0.02 0.00 0.00 0.00 0.00 46.02 45.76 2ka0 n GLY 104 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2ka0 h LEU 105 N 0.00 -0.17 -1.38 0.99 5.85 -1.93 -1.58 115.31 117.09 2ka0 h LEU 105 Ca 0.00 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.84 2ka0 h LEU 105 Cb 0.00 0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.23 2ka0 h LEU 105 CO 0.00 -0.06 0.00 -0.33 -0.34 0.00 0.00 178.44 177.71 2ka0 h GLU 106 N 0.14 0.00 0.00 1.25 5.08 -1.97 -2.29 114.58 116.79 2ka0 h GLU 106 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 2ka0 h GLU 106 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 2ka0 h GLU 106 CO -0.41 0.00 0.00 -0.25 -1.00 0.00 0.00 179.01 177.35 2ka0 n ASP 107 N -2.99 0.00 0.02 1.42 9.92 -0.59 -3.75 116.55 120.58 2ka0 n ASP 107 Ca 0.01 -0.86 -0.18 0.00 -0.53 0.00 0.00 54.79 53.23 2ka0 n ASP 107 Cb 0.30 -0.03 -0.07 0.00 -0.64 0.00 0.00 41.12 40.67 2ka0 n ASP 107 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 2ka0 h LEU 108 N 0.00 0.84 -2.14 0.64 4.07 -1.49 -3.30 115.31 113.94 2ka0 h LEU 108 Ca 0.00 -0.62 -0.01 0.00 0.08 0.00 0.00 57.88 57.32 2ka0 h LEU 108 Cb 0.03 -0.25 -0.00 0.00 1.08 0.00 0.00 40.66 41.52 2ka0 h LEU 108 CO 0.00 1.42 -0.07 0.11 -1.08 0.00 0.00 178.44 178.82 2ka0 h LYS 109 N 0.42 0.00 -0.79 1.13 6.56 -1.79 -1.53 116.57 120.57 2ka0 h LYS 109 Ca -0.09 0.00 -0.11 0.00 -1.06 0.00 0.00 60.65 59.39 2ka0 h LYS 109 Cb 1.56 0.00 -0.07 0.00 -0.57 0.00 0.00 32.23 33.15 2ka0 h LYS 109 CO 0.18 0.07 0.14 0.36 -2.06 0.00 0.00 179.45 178.14 2ka0 n LYS 110 N -3.55 3.27 -3.31 3.15 2.85 -1.24 -4.87 118.16 114.46 2ka0 n LYS 110 Ca -0.02 -2.26 -0.20 0.00 -1.05 0.00 0.00 58.31 54.78 2ka0 n LYS 110 Cb 0.19 -2.00 0.00 0.00 -0.65 0.00 0.00 35.03 32.57 2ka0 n LYS 110 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 2ka0 s ILE 111 N -2.32 3.93 0.36 0.58 -1.09 -0.58 -4.82 121.20 117.27 2ka0 s ILE 111 Ca 0.40 -0.89 0.04 0.00 -2.23 0.00 0.00 60.65 57.98 2ka0 s ILE 111 Cb 0.32 -3.38 -0.06 0.00 -1.58 0.00 0.00 42.46 37.76 2ka0 s ILE 111 CO 0.10 -0.17 0.05 -0.54 -1.23 0.00 0.00 174.94 173.15 2ka0 s LYS 112 N -4.28 1.78 0.00 2.79 -0.14 -1.26 -5.04 119.74 113.58 2ka0 s LYS 112 Ca 0.47 -2.01 0.10 0.00 -1.36 0.00 0.00 55.97 53.17 2ka0 s LYS 112 Cb -0.10 -1.07 0.62 0.00 -1.68 0.00 0.00 37.83 35.60 2ka0 s LYS 112 CO 0.33 -0.19 1.04 -3.47 -0.76 0.00 0.00 175.35 172.30 2ka0 n ASP 113 N -0.84 0.00 -2.71 2.83 2.03 -1.23 -3.75 116.55 112.88 2ka0 n ASP 113 Ca -0.04 -0.48 -0.05 0.00 0.52 0.00 0.00 54.79 54.74 2ka0 n ASP 113 Cb 0.67 0.00 0.04 0.00 -0.72 0.00 0.00 41.12 41.11 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 -0.18 -1.00 0.99 0.27 0.00 -1.19 -3.62 105.19 100.46 2ka0 n GLY 114 Ca 0.08 0.73 0.05 0.00 0.00 0.00 0.00 46.02 46.88 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 2.15 0.89 -2.87 1.61 -0.58 -1.25 -4.96 120.64 115.63 2ka0 n GLU 115 Ca 0.10 -2.74 -0.01 0.00 -0.42 0.00 0.00 57.16 54.09 2ka0 n GLU 115 Cb 0.64 -0.91 -0.01 0.00 -0.57 0.00 0.00 31.44 30.59 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 -0.41 -1.68 -1.07 3.49 5.02 -1.26 -1.16 118.16 121.09 2ka0 n LYS 116 Ca 0.13 1.45 -0.29 0.00 -2.02 0.00 0.00 58.31 57.58 2ka0 n LYS 116 Cb 0.89 -1.44 0.18 0.00 -0.02 0.00 0.00 35.03 34.64 2ka0 n LYS 116 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2ka0 s VAL 117 N -0.10 2.23 -0.19 -0.18 -7.23 0.16 -3.96 120.40 111.12 2ka0 s VAL 117 Ca -0.04 0.07 -0.03 0.00 -1.81 0.00 0.00 61.98 60.17 2ka0 s VAL 117 Cb 0.00 -2.48 0.06 0.00 0.56 0.00 0.00 36.38 34.52 2ka0 s VAL 117 CO 0.11 -0.10 0.05 0.00 -0.31 0.00 0.00 175.10 174.85 2ka0 s ALA 118 N -2.87 0.91 -0.07 1.32 0.00 0.17 -3.05 121.76 118.17 2ka0 s ALA 118 Ca 0.65 -0.65 -0.30 0.00 0.00 0.00 0.00 51.96 51.67 2ka0 s ALA 118 Cb -0.19 -1.16 -0.02 0.00 0.00 0.00 0.00 23.12 21.74 2ka0 s ALA 118 CO 0.58 -1.19 1.06 0.08 0.00 0.00 0.00 175.76 176.30 2ka0 s VAL 119 N 1.90 4.62 0.39 0.00 1.01 0.12 -0.94 120.40 127.51 2ka0 s VAL 119 Ca -0.00 1.90 0.04 0.00 0.00 0.00 0.00 61.98 63.91 2ka0 s VAL 119 Cb -0.17 -4.22 -0.03 0.00 0.00 0.00 0.00 36.38 31.96 2ka0 s VAL 119 CO -0.08 0.03 0.10 -0.13 0.00 0.00 0.00 175.10 175.02 2ka0 s ARG 120 N 1.87 1.88 0.00 2.72 0.52 0.06 -1.46 118.95 124.54 2ka0 s ARG 120 Ca 0.51 -2.13 0.19 0.00 -0.52 0.00 0.00 55.73 53.78 2ka0 s ARG 120 Cb -0.21 -0.73 0.91 0.00 0.52 0.00 0.00 34.95 35.44 2ka0 s ARG 120 CO 0.21 -0.40 1.58 1.19 0.02 0.00 0.00 175.30 177.90 2ka0 n PHE 121 N -0.88 0.00 -4.56 -0.53 3.72 -1.26 -0.62 117.46 113.33 2ka0 n PHE 121 Ca -0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 2ka0 n PHE 121 Cb 0.65 -0.35 0.00 0.00 -0.94 0.00 0.00 39.48 38.85 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 -1.35 0.00 0.00 4.37 0.00 -1.26 -3.29 120.51 118.98 2ka0 n ALA 122 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2ka0 n ALA 122 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.62 2ka0 n ALA 122 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2ka0 n SER 123 N -3.09 0.00 0.00 0.00 3.41 -1.26 -4.96 113.62 107.72 2ka0 n SER 123 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2ka0 n SER 123 Cb 0.00 -1.12 0.00 0.00 -0.26 0.00 0.00 64.21 62.84 2ka0 n SER 123 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68