#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 2.39 -0.10 2.12 1.81 -1.26 -1.23 118.95 122.68 2ka0 s ARG 2 Ca 0.00 1.09 -0.13 0.00 -1.72 0.00 0.00 55.73 54.97 2ka0 s ARG 2 Cb 0.00 -1.92 0.03 0.00 -0.45 0.00 0.00 34.95 32.61 2ka0 s ARG 2 CO 0.00 -1.53 0.34 0.08 -0.68 0.00 0.00 175.30 173.51 2ka0 s VAL 3 N -2.95 0.02 -0.06 3.52 1.01 -0.24 -4.35 120.40 117.35 2ka0 s VAL 3 Ca 0.60 -0.13 0.03 0.00 0.00 0.00 0.00 61.98 62.48 2ka0 s VAL 3 Cb -0.16 -0.53 0.01 0.00 0.00 0.00 0.00 36.38 35.69 2ka0 s VAL 3 CO 0.56 -0.07 -0.15 -0.70 0.00 0.00 0.00 175.10 174.73 2ka0 s GLU 4 N -0.24 1.91 -0.22 2.72 2.12 0.44 -0.28 118.70 125.14 2ka0 s GLU 4 Ca -0.04 -0.53 -0.05 0.00 0.36 0.00 0.00 54.97 54.72 2ka0 s GLU 4 Cb -0.03 -1.56 -0.01 0.00 0.26 0.00 0.00 34.13 32.78 2ka0 s GLU 4 CO 0.02 0.10 -0.02 -0.51 -0.54 0.00 0.00 175.26 174.31 2ka0 s LEU 5 N 0.45 3.02 -0.09 2.70 1.02 0.45 -0.30 118.68 125.93 2ka0 s LEU 5 Ca -0.12 -0.34 -0.01 0.00 0.02 0.00 0.00 54.13 53.68 2ka0 s LEU 5 Cb -0.15 -1.78 -0.03 0.00 0.02 0.00 0.00 46.19 44.25 2ka0 s LEU 5 CO 0.04 -0.02 -0.06 -0.76 0.02 0.00 0.00 176.35 175.57 2ka0 s LEU 6 N 1.48 3.20 0.00 1.79 1.43 -0.54 -0.27 118.68 125.77 2ka0 s LEU 6 Ca 0.06 -0.05 0.03 0.00 -1.03 0.00 0.00 54.13 53.14 2ka0 s LEU 6 Cb -0.14 -1.72 -0.01 0.00 0.03 0.00 0.00 46.19 44.35 2ka0 s LEU 6 CO -0.02 0.31 0.10 0.49 0.23 0.00 0.00 176.35 177.46 2ka0 n PHE 7 N 2.59 0.12 0.09 0.29 3.01 0.11 -0.70 117.46 122.96 2ka0 n PHE 7 Ca -0.18 -1.83 -0.22 0.00 1.01 0.00 0.00 57.45 56.24 2ka0 n PHE 7 Cb 0.53 -0.01 -0.13 0.00 -0.01 0.00 0.00 39.48 39.86 2ka0 n PHE 7 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 2ka0 h GLU 8 N 0.00 0.62 0.00 -1.08 4.39 -1.72 -3.35 114.58 113.44 2ka0 h GLU 8 Ca -0.22 -0.82 0.00 0.00 0.34 0.00 0.00 59.36 58.66 2ka0 h GLU 8 Cb 0.85 0.27 0.00 0.00 -0.10 0.00 0.00 28.75 29.77 2ka0 h GLU 8 CO 0.36 1.37 -1.08 0.43 -1.16 0.00 0.00 179.01 178.93 2ka0 n SER 9 N -3.79 0.61 -0.34 1.42 7.64 -1.26 -5.04 113.62 112.86 2ka0 n SER 9 Ca -0.13 -0.06 0.00 0.00 1.01 0.00 0.00 58.87 59.69 2ka0 n SER 9 Cb 0.98 0.78 0.00 0.00 -1.01 0.00 0.00 64.21 64.96 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 1.32 1.27 3.56 0.23 0.00 -1.26 -4.98 105.19 105.33 2ka0 n GLY 10 Ca 0.01 -0.72 -0.16 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.02 0.94 0.29 1.61 -2.85 -1.26 -0.71 119.74 117.74 2ka0 s LYS 11 Ca 0.00 0.51 -0.04 0.00 -1.00 0.00 0.00 55.97 55.44 2ka0 s LYS 11 Cb 0.00 0.45 -0.01 0.00 -2.06 0.00 0.00 37.83 36.21 2ka0 s LYS 11 CO 0.00 -0.23 0.40 0.00 0.10 0.00 0.00 175.35 175.61 2ka0 s VAL 13 N -3.52 -0.03 0.01 0.00 1.01 -0.82 -0.41 120.40 116.64 2ka0 s VAL 13 Ca 0.31 0.11 0.04 0.00 0.00 0.00 0.00 61.98 62.44 2ka0 s VAL 13 Cb 0.01 -0.44 -0.01 0.00 0.00 0.00 0.00 36.38 35.94 2ka0 s VAL 13 CO 0.17 0.05 -0.13 0.27 0.00 0.00 0.00 175.10 175.45 2ka0 s ILE 14 N 1.14 1.01 -0.26 2.22 -4.36 0.62 -2.32 121.20 119.24 2ka0 s ILE 14 Ca -0.08 -0.69 -0.09 0.00 -0.26 0.00 0.00 60.65 59.53 2ka0 s ILE 14 Cb -0.09 -0.87 -0.03 0.00 1.25 0.00 0.00 42.46 42.72 2ka0 s ILE 14 CO -0.08 0.17 0.11 -0.62 0.24 0.00 0.00 174.94 174.76 2ka0 s ASP 15 N -0.59 5.44 -0.09 4.36 2.15 -0.49 -1.07 116.67 126.37 2ka0 s ASP 15 Ca 0.03 -0.18 0.04 0.00 0.43 0.00 0.00 52.55 52.88 2ka0 s ASP 15 Cb -0.06 -1.99 -0.01 0.00 -0.30 0.00 0.00 42.92 40.57 2ka0 s ASP 15 CO 0.00 -0.06 -0.23 -0.76 -0.17 0.00 0.00 175.17 173.95 2ka0 s LEU 16 N 1.66 2.16 -0.14 -1.34 1.43 -0.37 -1.25 118.68 120.83 2ka0 s LEU 16 Ca 0.06 -0.51 -0.22 0.00 -1.03 0.00 0.00 54.13 52.43 2ka0 s LEU 16 Cb -0.16 -1.42 -0.03 0.00 0.03 0.00 0.00 46.19 44.62 2ka0 s LEU 16 CO 0.06 0.20 0.66 0.21 0.23 0.00 0.00 176.35 177.71 2ka0 s ASN 17 N 0.13 6.81 0.00 2.29 2.47 -0.92 -0.26 114.94 125.46 2ka0 s ASN 17 Ca -0.12 0.98 0.00 0.00 0.42 0.00 0.00 52.86 54.14 2ka0 s ASN 17 Cb -0.16 -2.37 0.00 0.00 -1.45 0.00 0.00 41.25 37.27 2ka0 s ASN 17 CO 0.07 -0.21 1.12 -0.62 -3.72 0.00 0.00 177.10 173.74 2ka0 n GLU 18 N 4.52 0.77 0.00 0.43 1.02 -1.26 -3.43 120.64 122.68 2ka0 n GLU 18 Ca -0.01 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.20 2ka0 n GLU 18 Cb 0.50 -1.12 -0.08 0.00 -0.02 0.00 0.00 31.44 30.73 2ka0 n GLU 18 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 2ka0 n GLU 19 N 1.08 1.89 -4.27 3.49 0.28 -1.26 -4.97 120.64 116.88 2ka0 n GLU 19 Ca 0.00 -0.08 -0.33 0.00 -0.16 0.00 0.00 57.16 56.59 2ka0 n GLU 19 Cb 0.38 -1.23 -0.09 0.00 1.43 0.00 0.00 31.44 31.94 2ka0 n GLU 19 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 2ka0 s TYR 20 N -2.40 3.11 0.10 -1.84 2.02 -1.22 -5.04 117.35 112.07 2ka0 s TYR 20 Ca 0.07 0.11 -0.30 0.00 -0.37 0.00 0.00 57.07 56.58 2ka0 s TYR 20 Cb 0.12 -1.69 -0.13 0.00 -0.40 0.00 0.00 41.96 39.86 2ka0 s TYR 20 CO 0.61 0.47 1.63 1.49 -1.57 0.00 0.00 175.55 178.18 2ka0 h GLU 21 N 4.41 -0.63 -1.00 -0.62 4.57 -1.93 -2.06 114.58 117.32 2ka0 h GLU 21 Ca -0.49 0.04 0.32 0.00 -1.18 0.00 0.00 59.36 58.05 2ka0 h GLU 21 Cb 1.18 0.14 -0.15 0.00 -0.16 0.00 0.00 28.75 29.76 2ka0 h GLU 21 CO 0.58 -0.42 0.55 -0.24 -1.18 0.00 0.00 179.01 178.29 2ka0 h VAL 22 N -0.66 0.29 -0.18 0.32 3.04 -1.96 0.85 116.25 117.94 2ka0 h VAL 22 Ca -0.02 -0.10 -0.11 0.00 -1.01 0.00 0.00 66.70 65.46 2ka0 h VAL 22 Cb 0.60 -0.04 -0.00 0.00 -2.01 0.00 0.00 31.29 29.83 2ka0 h VAL 22 CO -0.05 0.06 -0.30 0.58 -1.01 0.00 0.00 177.57 176.85 2ka0 h VAL 23 N 0.30 1.34 -0.85 1.51 2.07 -1.69 -0.02 116.25 118.92 2ka0 h VAL 23 Ca 0.73 -1.52 0.02 0.00 0.82 0.00 0.00 66.70 66.75 2ka0 h VAL 23 Cb 1.67 1.88 -0.04 0.00 -1.52 0.00 0.00 31.29 33.27 2ka0 h VAL 23 CO -0.62 0.46 0.56 0.11 0.02 0.00 0.00 177.57 178.11 2ka0 h LYS 24 N 0.18 1.09 -0.19 1.57 1.57 -0.87 -1.74 116.57 118.19 2ka0 h LYS 24 Ca 0.01 -0.07 -0.19 0.00 -1.87 0.00 0.00 60.65 58.54 2ka0 h LYS 24 Cb 0.88 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 32.94 2ka0 h LYS 24 CO 0.07 0.72 -0.63 -0.07 -0.57 0.00 0.00 179.45 178.97 2ka0 h LEU 25 N 1.13 0.77 -1.13 2.94 3.38 -0.75 -3.16 115.31 118.48 2ka0 h LEU 25 Ca 0.32 -0.45 -0.08 0.00 0.09 0.00 0.00 57.88 57.76 2ka0 h LEU 25 Cb -0.09 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 2ka0 h LEU 25 CO -0.08 1.21 -0.27 -0.07 0.09 0.00 0.00 178.44 179.32 2ka0 h LEU 26 N 0.50 0.27 -1.71 1.67 3.38 -0.52 -2.90 115.31 115.99 2ka0 h LEU 26 Ca -0.01 -0.08 0.11 0.00 0.09 0.00 0.00 57.88 57.98 2ka0 h LEU 26 Cb 1.22 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.86 2ka0 h LEU 26 CO 0.13 0.54 0.39 0.50 0.09 0.00 0.00 178.44 180.09 2ka0 h LYS 27 N 0.24 0.32 0.00 1.13 3.11 -1.29 0.53 116.57 120.60 2ka0 h LYS 27 Ca 0.04 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.86 2ka0 h LYS 27 Cb 0.61 -0.07 0.00 0.00 -1.00 0.00 0.00 32.23 31.77 2ka0 h LYS 27 CO 0.04 0.21 0.00 0.39 -2.81 0.00 0.00 179.45 177.28 2ka0 n GLU 28 N -4.46 0.16 -0.57 1.90 -0.58 -1.09 -3.11 120.64 112.89 2ka0 n GLU 28 Ca 0.10 0.36 0.06 0.00 -0.42 0.00 0.00 57.16 57.26 2ka0 n GLU 28 Cb 0.41 -1.79 0.15 0.00 -0.57 0.00 0.00 31.44 29.63 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 -2.10 1.18 -4.94 3.49 4.76 0.16 -5.02 118.16 115.69 2ka0 n LYS 29 Ca 0.03 -2.77 -0.26 0.00 -2.87 0.00 0.00 58.31 52.44 2ka0 n LYS 29 Cb 0.24 -1.29 -0.16 0.00 -1.84 0.00 0.00 35.03 31.99 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 -2.47 1.53 0.91 -0.18 1.01 -1.09 -3.89 121.20 117.02 2ka0 s ILE 30 Ca 0.33 -0.82 -0.11 0.00 0.00 0.00 0.00 60.65 60.05 2ka0 s ILE 30 Cb 0.32 -1.28 0.14 0.00 0.01 0.00 0.00 42.46 41.66 2ka0 s ILE 30 CO -0.05 0.43 1.10 -2.16 0.00 0.00 0.00 174.94 174.26 2ka0 s PRO 31 N -0.41 1.08 0.23 2.79 0.04 -1.26 -4.97 135.00 132.50 2ka0 s PRO 31 Ca 0.06 1.08 -0.11 0.00 0.04 0.00 0.00 61.00 62.08 2ka0 s PRO 31 Cb -0.08 -1.77 -0.01 0.00 0.04 0.00 0.00 34.50 32.68 2ka0 s PRO 31 CO -0.00 -2.44 0.41 -0.59 0.04 0.00 0.00 177.00 174.42 2ka0 s PHE 32 N -2.79 0.47 0.18 0.56 -0.71 -0.35 -5.00 117.98 110.34 2ka0 s PHE 32 Ca 0.65 -0.81 0.09 0.00 -1.04 0.00 0.00 56.93 55.81 2ka0 s PHE 32 Cb -0.20 0.06 -0.04 0.00 -1.21 0.00 0.00 43.02 41.63 2ka0 s PHE 32 CO 0.58 -0.92 -0.19 -1.21 -1.34 0.00 0.00 175.22 172.14 2ka0 s GLU 33 N -4.03 1.34 0.23 1.99 2.02 -1.26 -0.29 118.70 118.70 2ka0 s GLU 33 Ca 0.24 -1.46 -0.23 0.00 0.02 0.00 0.00 54.97 53.54 2ka0 s GLU 33 Cb 0.01 -1.43 0.04 0.00 0.10 0.00 0.00 34.13 32.85 2ka0 s GLU 33 CO 0.08 0.29 0.83 0.45 0.02 0.00 0.00 175.26 176.93 2ka0 s SER 34 N -2.77 -0.22 0.01 -0.19 0.15 -0.33 -4.99 113.70 105.36 2ka0 s SER 34 Ca 0.18 -0.53 -0.30 0.00 0.70 0.00 0.00 55.95 56.00 2ka0 s SER 34 Cb -0.06 0.63 -0.03 0.00 -1.71 0.00 0.00 66.02 64.84 2ka0 s SER 34 CO 0.08 -1.16 1.02 -0.69 1.20 0.00 0.00 173.24 173.69 2ka0 s VAL 35 N -3.63 4.72 -1.32 4.45 1.01 -1.26 -1.54 120.40 122.83 2ka0 s VAL 35 Ca 0.12 1.95 -0.15 0.00 0.00 0.00 0.00 61.98 63.90 2ka0 s VAL 35 Cb -0.04 -4.25 0.10 0.00 0.00 0.00 0.00 36.38 32.19 2ka0 s VAL 35 CO 0.05 0.15 1.82 0.52 0.00 0.00 0.00 175.10 177.64 2ka0 n VAL 36 N 3.92 3.94 -1.27 2.92 0.31 -1.26 -4.16 118.33 122.73 2ka0 n VAL 36 Ca 0.07 -4.00 -0.31 0.00 -0.01 0.00 0.00 64.34 60.08 2ka0 n VAL 36 Cb 0.50 -2.44 0.09 0.00 -0.91 0.00 0.00 33.84 31.08 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 3.20 4.44 0.10 4.52 0.01 -0.56 -1.61 114.94 125.04 2ka0 s ASN 37 Ca 0.48 1.88 -0.01 0.00 -0.71 0.00 0.00 52.86 54.50 2ka0 s ASN 37 Cb 0.06 -2.53 -0.04 0.00 0.41 0.00 0.00 41.25 39.15 2ka0 s ASN 37 CO 0.01 -2.08 0.03 0.42 -1.51 0.00 0.00 177.10 173.96 2ka0 s THR 38 N -2.81 0.14 -0.29 1.60 -4.23 -1.26 -1.20 115.64 107.59 2ka0 s THR 38 Ca 0.62 -1.88 -0.00 0.00 -1.18 0.00 0.00 61.69 59.26 2ka0 s THR 38 Cb -0.18 -1.86 0.19 0.00 1.34 0.00 0.00 72.50 71.99 2ka0 s THR 38 CO 0.54 -0.65 0.73 0.86 -0.54 0.00 0.00 174.62 175.56 2ka0 s TRP 39 N -4.00 -1.43 -1.06 3.99 -0.00 -1.02 -4.94 118.94 110.48 2ka0 s TRP 39 Ca 0.18 0.95 -0.18 0.00 -0.00 0.00 0.00 56.10 57.05 2ka0 s TRP 39 Cb 0.08 0.29 0.00 0.00 -0.00 0.00 0.00 33.47 33.84 2ka0 s TRP 39 CO -0.02 -0.82 0.73 0.41 -0.00 0.00 0.00 176.95 177.24 2ka0 n GLY 40 N 5.35 -1.05 3.14 5.86 0.00 -1.26 -1.77 105.19 115.46 2ka0 n GLY 40 Ca 0.05 0.46 -0.20 0.00 0.00 0.00 0.00 46.02 46.33 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 -3.84 -2.12 -3.53 1.61 0.00 -1.26 -3.89 120.64 107.61 2ka0 n GLU 41 Ca -0.13 1.78 -0.16 0.00 0.00 0.00 0.00 57.16 58.65 2ka0 n GLU 41 Cb 0.59 -4.23 -0.05 0.00 0.00 0.00 0.00 31.44 27.75 2ka0 n GLU 41 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 2ka0 s GLU 42 N -2.68 0.96 -0.12 5.31 2.12 -0.73 -4.66 118.70 118.89 2ka0 s GLU 42 Ca 0.27 0.18 0.00 0.00 0.36 0.00 0.00 54.97 55.78 2ka0 s GLU 42 Cb -0.05 0.45 0.02 0.00 0.26 0.00 0.00 34.13 34.81 2ka0 s GLU 42 CO 0.81 -0.31 -0.11 0.42 -0.54 0.00 0.00 175.26 175.54 2ka0 s ILE 43 N -1.37 1.25 0.07 -3.70 1.01 -1.25 -2.44 121.20 114.77 2ka0 s ILE 43 Ca -0.08 -0.44 0.04 0.00 0.00 0.00 0.00 60.65 60.17 2ka0 s ILE 43 Cb -0.00 -1.21 -0.03 0.00 0.01 0.00 0.00 42.46 41.23 2ka0 s ILE 43 CO 0.06 0.40 -0.11 -0.72 0.00 0.00 0.00 174.94 174.58 2ka0 s TYR 44 N 1.50 0.99 0.06 3.97 1.13 -0.34 -2.01 117.35 122.65 2ka0 s TYR 44 Ca 0.03 -0.52 0.04 0.00 -1.41 0.00 0.00 57.07 55.20 2ka0 s TYR 44 Cb -0.13 -0.56 -0.03 0.00 -1.10 0.00 0.00 41.96 40.14 2ka0 s TYR 44 CO -0.08 -0.01 -0.12 -0.59 -2.51 0.00 0.00 175.55 172.25 2ka0 s PHE 45 N -1.61 1.02 -0.86 -3.49 -0.71 -1.26 -1.50 117.98 109.57 2ka0 s PHE 45 Ca -0.03 -0.49 -0.25 0.00 -1.04 0.00 0.00 56.93 55.12 2ka0 s PHE 45 Cb -0.08 -0.58 -0.03 0.00 -1.21 0.00 0.00 43.02 41.12 2ka0 s PHE 45 CO 0.01 0.00 1.88 -1.54 -1.34 0.00 0.00 175.22 174.23 2ka0 s SER 46 N -1.76 5.30 0.54 1.98 1.04 -1.26 -1.52 113.70 118.01 2ka0 s SER 46 Ca -0.04 -0.56 -0.22 0.00 0.48 0.00 0.00 55.95 55.61 2ka0 s SER 46 Cb -0.09 -2.56 -0.05 0.00 0.10 0.00 0.00 66.02 63.42 2ka0 s SER 46 CO 0.01 -2.56 1.32 0.42 0.98 0.00 0.00 173.24 173.41 2ka0 s THR 47 N 9.38 2.27 -1.62 2.02 -4.23 -0.36 -4.91 115.64 118.20 2ka0 s THR 47 Ca 0.67 0.20 0.30 0.00 -1.18 0.00 0.00 61.69 61.68 2ka0 s THR 47 Cb -0.07 -3.10 0.64 0.00 1.34 0.00 0.00 72.50 71.30 2ka0 s THR 47 CO 0.02 -0.01 2.07 -0.81 -0.54 0.00 0.00 174.62 175.36 2ka0 n PRO 48 N -0.99 0.60 -1.65 3.99 -0.04 -1.26 -4.81 135.00 130.84 2ka0 n PRO 48 Ca 0.10 0.01 -0.30 0.00 -0.04 0.00 0.00 63.50 63.27 2ka0 n PRO 48 Cb 0.46 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.49 2ka0 n PRO 48 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2ka0 s VAL 49 N -2.38 3.42 -0.28 0.52 1.01 -1.26 -5.09 120.40 116.34 2ka0 s VAL 49 Ca 0.34 0.46 -0.00 0.00 0.00 0.00 0.00 61.98 62.78 2ka0 s VAL 49 Cb 0.20 -3.28 0.14 0.00 0.00 0.00 0.00 36.38 33.45 2ka0 s VAL 49 CO 0.42 -0.60 0.33 0.21 0.00 0.00 0.00 175.10 175.46 2ka0 s ASN 50 N -4.01 1.14 0.05 3.32 3.84 -1.26 -4.90 114.94 113.12 2ka0 s ASN 50 Ca 0.59 -0.52 -0.17 0.00 0.21 0.00 0.00 52.86 52.98 2ka0 s ASN 50 Cb -0.13 0.73 0.03 0.00 -0.55 0.00 0.00 41.25 41.33 2ka0 s ASN 50 CO 0.54 -0.37 0.39 0.54 -2.79 0.00 0.00 177.10 175.41 2ka0 s VAL 51 N 2.43 0.06 -0.03 -5.21 0.11 -1.26 -5.09 120.40 111.41 2ka0 s VAL 51 Ca 0.10 -0.51 0.04 0.00 -2.93 0.00 0.00 61.98 58.68 2ka0 s VAL 51 Cb -0.14 -0.95 0.06 0.00 -1.53 0.00 0.00 36.38 33.83 2ka0 s VAL 51 CO -0.29 -0.28 0.90 0.00 -3.33 0.00 0.00 175.10 172.10 2ka0 n GLN 52 N 0.51 1.30 -2.46 1.54 6.02 -1.26 -4.65 117.38 118.38 2ka0 n GLN 52 Ca -0.18 -1.38 -0.42 0.00 -0.01 0.00 0.00 57.00 55.00 2ka0 n GLN 52 Cb 0.60 -0.89 -0.03 0.00 1.02 0.00 0.00 30.24 30.94 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 -0.97 4.35 0.02 -1.09 2.20 -1.26 -5.02 119.74 117.96 2ka0 s LYS 53 Ca 0.07 1.68 0.05 0.00 -0.36 0.00 0.00 55.97 57.41 2ka0 s LYS 53 Cb 0.06 -3.56 -0.02 0.00 -1.51 0.00 0.00 37.83 32.80 2ka0 s LYS 53 CO 0.01 -0.45 -0.14 0.00 -0.36 0.00 0.00 175.35 174.40 2ka0 s MET 54 N 2.24 1.05 0.00 4.03 0.23 -1.26 -4.80 119.30 120.79 2ka0 s MET 54 Ca 0.56 -0.66 0.00 0.00 -1.03 0.00 0.00 55.69 54.56 2ka0 s MET 54 Cb -0.25 -1.04 0.00 0.00 -1.53 0.00 0.00 34.83 32.01 2ka0 s MET 54 CO 0.22 0.27 0.00 0.39 -2.03 0.00 0.00 175.02 173.87 2ka0 n GLU 55 N 2.24 1.33 -3.03 3.16 -0.58 -1.26 -4.80 120.64 117.71 2ka0 n GLU 55 Ca -0.16 0.00 -0.27 0.00 -0.42 0.00 0.00 57.16 56.31 2ka0 n GLU 55 Cb 0.55 -0.68 -0.05 0.00 -0.57 0.00 0.00 31.44 30.69 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 -1.11 4.34 -4.80 1.62 5.15 -1.26 -5.10 115.26 114.10 2ka0 n ASN 56 Ca 0.00 -3.64 -0.34 0.00 -0.60 0.00 0.00 54.58 50.00 2ka0 n ASN 56 Cb 0.18 -0.58 -0.02 0.00 -0.53 0.00 0.00 39.78 38.83 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 -3.29 3.68 0.03 1.20 0.04 -1.26 -2.68 135.00 132.71 2ka0 s PRO 57 Ca 0.47 1.34 -0.09 0.00 0.04 0.00 0.00 61.00 62.76 2ka0 s PRO 57 Cb 0.26 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.72 2ka0 s PRO 57 CO -0.12 -0.53 0.19 1.03 0.04 0.00 0.00 177.00 177.62 2ka0 s ARG 58 N -3.41 0.65 0.00 4.56 1.81 -1.24 -4.97 118.95 116.36 2ka0 s ARG 58 Ca 0.67 -0.56 0.17 0.00 -1.72 0.00 0.00 55.73 54.29 2ka0 s ARG 58 Cb -0.17 0.27 0.38 0.00 -0.45 0.00 0.00 34.95 34.98 2ka0 s ARG 58 CO 0.24 -0.18 1.30 0.39 -0.68 0.00 0.00 175.30 176.36 2ka0 n GLU 59 N 0.86 2.40 -3.51 3.54 1.02 -1.26 -3.41 120.64 120.27 2ka0 n GLU 59 Ca -0.20 -2.12 -0.16 0.00 -0.02 0.00 0.00 57.16 54.66 2ka0 n GLU 59 Cb 0.58 -1.40 -0.05 0.00 -0.02 0.00 0.00 31.44 30.55 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 -1.13 0.00 0.30 2.62 0.11 -1.26 -4.13 120.40 116.91 2ka0 s VAL 60 Ca 0.32 -0.04 -0.04 0.00 -2.93 0.00 0.00 61.98 59.29 2ka0 s VAL 60 Cb 0.18 -0.99 -0.01 0.00 -1.53 0.00 0.00 36.38 34.03 2ka0 s VAL 60 CO 0.24 -0.02 0.42 0.68 -3.33 0.00 0.00 175.10 173.09 2ka0 s VAL 61 N -1.87 0.00 0.58 2.04 -7.23 -0.65 -4.96 120.40 108.31 2ka0 s VAL 61 Ca -0.08 -1.63 -0.01 0.00 -1.81 0.00 0.00 61.98 58.46 2ka0 s VAL 61 Cb -0.00 -2.51 0.04 0.00 0.56 0.00 0.00 36.38 34.47 2ka0 s VAL 61 CO 0.04 0.00 0.83 -1.61 -0.31 0.00 0.00 175.10 174.05 2ka0 s GLU 62 N -3.47 2.51 0.00 4.82 2.02 -1.26 -4.61 118.70 118.71 2ka0 s GLU 62 Ca 0.30 -0.61 0.00 0.00 0.02 0.00 0.00 54.97 54.68 2ka0 s GLU 62 Cb 0.01 -2.41 0.00 0.00 0.10 0.00 0.00 34.13 31.83 2ka0 s GLU 62 CO 0.17 -0.80 0.43 -0.89 0.02 0.00 0.00 175.26 174.19 2ka0 n ILE 63 N -2.47 0.21 -1.47 -1.63 5.41 -1.26 -2.83 119.36 115.32 2ka0 n ILE 63 Ca 0.07 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.82 2ka0 n ILE 63 Cb 0.60 -0.49 0.00 0.00 -0.71 0.00 0.00 39.64 39.04 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 0.33 0.62 2.90 7.39 0.00 -1.18 -4.37 105.19 110.87 2ka0 n GLY 64 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 1.10 -4.01 1.61 8.00 -1.13 -1.71 116.55 120.41 2ka0 n ASP 65 Ca 0.00 -1.90 -0.11 0.00 0.71 0.00 0.00 54.79 53.50 2ka0 n ASP 65 Cb 0.31 -0.45 -0.11 0.00 -0.02 0.00 0.00 41.12 40.84 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 -2.15 0.29 0.05 2.53 1.01 -0.69 -3.74 120.40 117.70 2ka0 s VAL 66 Ca 0.49 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 61.51 2ka0 s VAL 66 Cb -0.03 -0.40 -0.03 0.00 0.00 0.00 0.00 36.38 35.92 2ka0 s VAL 66 CO 0.32 -0.45 -0.06 -0.83 0.00 0.00 0.00 175.10 174.08 2ka0 s GLY 67 N -1.50 0.52 0.63 4.51 0.00 -1.26 -3.75 107.32 106.47 2ka0 s GLY 67 Ca -0.13 -0.91 -0.11 0.00 0.00 0.00 0.00 44.72 43.57 2ka0 s GLY 67 CO -0.00 -0.98 1.04 -2.52 0.00 0.00 0.00 173.10 170.63 2ka0 s TYR 68 N -2.11 3.52 -0.52 1.90 1.13 -1.24 -2.00 117.35 118.04 2ka0 s TYR 68 Ca -0.05 1.32 0.03 0.00 -1.41 0.00 0.00 57.07 56.97 2ka0 s TYR 68 Cb -0.05 -2.76 0.15 0.00 -1.10 0.00 0.00 41.96 38.20 2ka0 s TYR 68 CO -0.02 -0.80 0.33 -0.46 -2.51 0.00 0.00 175.55 172.09 2ka0 s TRP 69 N -3.14 2.41 0.38 -3.49 -0.00 0.40 -4.24 118.94 111.27 2ka0 s TRP 69 Ca 0.56 -2.75 0.18 0.00 -0.00 0.00 0.00 56.10 54.09 2ka0 s TRP 69 Cb -0.12 -2.06 1.00 0.00 -0.00 0.00 0.00 33.47 32.29 2ka0 s TRP 69 CO 0.54 -0.72 1.93 -1.00 -0.00 0.00 0.00 176.95 177.70 2ka0 h PRO 70 N 6.16 0.00 0.00 5.86 0.13 -1.82 0.14 132.00 142.46 2ka0 h PRO 70 Ca 0.07 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.17 2ka0 h PRO 70 Cb 0.87 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.00 2ka0 h PRO 70 CO 0.55 0.25 -0.17 -1.00 -0.23 0.00 0.00 178.00 177.41 2ka0 h PRO 71 N 0.00 0.00 0.00 1.56 0.13 -1.95 -2.49 132.00 129.26 2ka0 h PRO 71 Ca -0.00 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2ka0 h PRO 71 Cb 0.50 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.63 2ka0 h PRO 71 CO 0.03 0.17 -0.38 0.41 -0.23 0.00 0.00 178.00 178.00 2ka0 n GLY 72 N -0.12 5.05 3.68 1.56 0.00 -1.19 -5.01 105.19 109.16 2ka0 n GLY 72 Ca -0.00 -1.26 -0.27 0.00 0.00 0.00 0.00 46.02 44.48 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 -1.19 -2.99 -4.68 1.61 4.01 -0.94 -4.88 118.16 109.11 2ka0 n LYS 73 Ca 0.18 0.37 -0.30 0.00 -0.51 0.00 0.00 58.31 58.04 2ka0 n LYS 73 Cb 0.68 -5.05 -0.09 0.00 -0.51 0.00 0.00 35.03 30.06 2ka0 n LYS 73 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2ka0 s ALA 74 N -2.99 3.61 0.75 7.82 0.00 -0.01 -1.22 121.76 129.72 2ka0 s ALA 74 Ca 0.52 -1.36 -0.02 0.00 0.00 0.00 0.00 51.96 51.10 2ka0 s ALA 74 Cb -0.28 0.12 0.14 0.00 0.00 0.00 0.00 23.12 23.10 2ka0 s ALA 74 CO 0.64 -0.08 0.95 1.28 0.00 0.00 0.00 175.76 178.56 2ka0 n LEU 75 N -1.10 0.00 -3.92 0.00 7.99 -0.58 -0.45 117.00 118.94 2ka0 n LEU 75 Ca -0.12 -1.85 -0.09 0.00 -0.01 0.00 0.00 56.01 53.94 2ka0 n LEU 75 Cb 0.67 -0.64 -0.07 0.00 -0.11 0.00 0.00 43.42 43.27 2ka0 n LEU 75 CO 0.43 -1.00 -0.05 0.00 -1.51 0.00 0.00 177.39 175.26 2ka0 s LEU 77 N -2.93 0.16 -0.35 0.00 1.43 -0.85 -4.11 118.68 112.03 2ka0 s LEU 77 Ca 0.13 0.24 -0.13 0.00 -1.03 0.00 0.00 54.13 53.34 2ka0 s LEU 77 Cb 0.04 0.15 -0.01 0.00 0.03 0.00 0.00 46.19 46.40 2ka0 s LEU 77 CO -0.04 -0.23 0.24 -0.36 0.23 0.00 0.00 176.35 176.19 2ka0 s PHE 78 N 2.04 3.23 0.00 0.29 0.08 -1.25 -3.84 117.98 118.52 2ka0 s PHE 78 Ca 0.01 -0.34 0.15 0.00 0.12 0.00 0.00 56.93 56.87 2ka0 s PHE 78 Cb -0.12 -2.48 0.25 0.00 -0.57 0.00 0.00 43.02 40.09 2ka0 s PHE 78 CO -0.05 -0.42 1.07 1.97 -0.10 0.00 0.00 175.22 177.69 2ka0 n PHE 79 N 5.10 0.00 0.00 0.36 -1.74 -1.26 -3.09 117.46 116.83 2ka0 n PHE 79 Ca -0.12 -0.38 0.00 0.00 -0.56 0.00 0.00 57.45 56.38 2ka0 n PHE 79 Cb 0.49 0.02 0.00 0.00 1.52 0.00 0.00 39.48 41.51 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 0.29 -0.17 3.64 4.97 0.00 -1.26 -5.02 105.19 107.64 2ka0 n GLY 80 Ca -0.02 0.56 -0.01 0.00 0.00 0.00 0.00 46.02 46.55 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 2.24 0.58 0.60 1.61 2.36 -1.26 -4.82 119.74 121.06 2ka0 s LYS 81 Ca 0.00 1.42 -0.06 0.00 -2.55 0.00 0.00 55.97 54.78 2ka0 s LYS 81 Cb 0.00 0.82 0.02 0.00 -1.05 0.00 0.00 37.83 37.62 2ka0 s LYS 81 CO 0.00 -0.19 0.91 0.95 1.55 0.00 0.00 175.35 178.57 2ka0 s THR 82 N 2.81 3.42 -2.00 3.43 -4.23 -1.26 -4.75 115.64 113.05 2ka0 s THR 82 Ca -0.06 -0.07 0.14 0.00 -1.18 0.00 0.00 61.69 60.52 2ka0 s THR 82 Cb -0.11 -3.37 0.40 0.00 1.34 0.00 0.00 72.50 70.76 2ka0 s THR 82 CO -0.19 -0.38 1.27 -0.81 -0.54 0.00 0.00 174.62 173.97 2ka0 n PRO 83 N -2.62 0.46 -0.06 3.99 -0.04 -1.25 -3.75 135.00 131.73 2ka0 n PRO 83 Ca 0.05 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.39 2ka0 n PRO 83 Cb 0.58 -1.48 -0.14 0.00 -0.04 0.00 0.00 33.50 32.41 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 -0.98 0.67 0.00 0.54 1.56 -1.26 -4.85 117.12 112.81 2ka0 n MET 84 Ca 0.11 0.16 0.00 0.00 -0.27 0.00 0.00 57.70 57.70 2ka0 n MET 84 Cb 0.05 -1.65 0.00 0.00 2.15 0.00 0.00 33.22 33.77 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 -3.04 -0.00 0.00 6.12 2.88 -1.25 -5.03 113.62 113.30 2ka0 n SER 85 Ca -0.29 -0.93 0.00 0.00 -1.33 0.00 0.00 58.87 56.32 2ka0 n SER 85 Cb 1.08 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.54 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 -2.79 0.00 -0.07 -3.46 -0.08 -1.26 -4.94 116.55 103.95 2ka0 n ASP 86 Ca 0.00 0.00 -0.12 0.00 -1.51 0.00 0.00 54.79 53.16 2ka0 n ASP 86 Cb 0.00 0.07 -0.12 0.00 2.34 0.00 0.00 41.12 43.42 2ka0 n ASP 86 CO 0.00 0.00 0.00 -0.78 0.12 0.00 0.00 177.20 176.54 2ka0 h ASP 87 N 0.00 -0.00 -0.98 1.67 1.82 -1.97 -3.50 116.42 113.46 2ka0 h ASP 87 Ca 0.00 -0.88 0.00 0.00 -0.39 0.00 0.00 57.03 55.76 2ka0 h ASP 87 Cb 0.00 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.01 2ka0 h ASP 87 CO 0.00 0.93 0.00 2.29 -1.61 0.00 0.00 179.24 180.85 2ka0 n LYS 88 N -4.63 0.47 -3.11 0.28 2.85 -1.26 -5.08 118.16 107.68 2ka0 n LYS 88 Ca -0.09 0.00 -0.35 0.00 -1.05 0.00 0.00 58.31 56.83 2ka0 n LYS 88 Cb 0.42 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.77 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 4.02 -2.90 0.58 5.41 -1.26 -4.68 119.36 120.53 2ka0 n ILE 89 Ca 0.00 -5.63 -0.38 0.00 1.00 0.00 0.00 62.75 57.74 2ka0 n ILE 89 Cb 0.00 -1.93 -0.06 0.00 -0.71 0.00 0.00 39.64 36.94 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 -2.97 4.57 0.94 0.38 -0.21 -1.26 -1.64 119.66 119.47 2ka0 s GLN 90 Ca 0.38 1.22 -0.15 0.00 0.02 0.00 0.00 55.36 56.82 2ka0 s GLN 90 Cb 0.14 -3.04 0.19 0.00 1.00 0.00 0.00 33.01 31.29 2ka0 s GLN 90 CO 0.00 0.43 1.30 -1.25 -2.12 0.00 0.00 175.29 173.66 2ka0 s PRO 91 N -1.61 0.79 0.52 2.91 0.04 -1.26 -4.35 135.00 132.04 2ka0 s PRO 91 Ca 0.43 -0.37 0.17 0.00 0.04 0.00 0.00 61.00 61.27 2ka0 s PRO 91 Cb -0.21 -1.86 1.31 0.00 0.04 0.00 0.00 34.50 33.78 2ka0 s PRO 91 CO 0.25 -2.32 2.15 0.00 0.04 0.00 0.00 177.00 177.12 2ka0 h ALA 92 N -1.57 1.92 -2.43 8.56 0.00 -1.98 -3.47 119.26 120.29 2ka0 h ALA 92 Ca -0.44 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 2ka0 h ALA 92 Cb 1.24 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2ka0 h ALA 92 CO 0.41 0.02 0.12 0.45 0.00 0.00 0.00 179.25 180.25 2ka0 n SER 93 N -4.44 -0.99 -4.55 0.00 2.88 -1.26 -5.07 113.62 100.19 2ka0 n SER 93 Ca -0.03 -1.69 -0.35 0.00 -1.33 0.00 0.00 58.87 55.47 2ka0 n SER 93 Cb 0.10 1.65 -0.03 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 s ALA 94 N -1.47 1.80 0.35 -1.46 0.00 -1.26 -4.76 121.76 114.97 2ka0 s ALA 94 Ca 0.07 -0.43 0.00 0.00 0.00 0.00 0.00 51.96 51.60 2ka0 s ALA 94 Cb -0.02 -4.36 0.00 0.00 0.00 0.00 0.00 23.12 18.74 2ka0 s ALA 94 CO 0.05 -4.34 0.00 1.33 0.00 0.00 0.00 175.76 172.80 2ka0 n VAL 95 N 7.70 0.00 -3.79 0.00 0.24 -1.22 -4.91 118.33 116.34 2ka0 n VAL 95 Ca 0.30 0.00 -0.18 0.00 -2.04 0.00 0.00 64.34 62.42 2ka0 n VAL 95 Cb 0.52 -1.35 -0.17 0.00 -1.47 0.00 0.00 33.84 31.37 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 -1.00 0.76 0.00 -1.34 2.47 -1.26 -3.58 114.94 110.98 2ka0 s ASN 96 Ca 0.00 0.01 -0.05 0.00 0.42 0.00 0.00 52.86 53.25 2ka0 s ASN 96 Cb 0.00 -0.20 -0.21 0.00 -1.45 0.00 0.00 41.25 39.39 2ka0 s ASN 96 CO 0.00 -0.17 3.16 0.52 -3.72 0.00 0.00 177.10 176.89 2ka0 n VAL 97 N 4.68 2.64 0.51 -5.21 0.31 -1.09 -3.59 118.33 116.57 2ka0 n VAL 97 Ca -0.16 -1.24 0.11 0.00 -0.01 0.00 0.00 64.34 63.03 2ka0 n VAL 97 Cb 0.50 -1.88 0.44 0.00 -0.91 0.00 0.00 33.84 31.99 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 2.37 0.78 -4.30 2.52 -5.35 -1.25 -4.79 119.36 109.33 2ka0 n ILE 98 Ca 0.33 0.15 -0.17 0.00 -0.27 0.00 0.00 62.75 62.79 2ka0 n ILE 98 Cb 0.79 -0.99 -0.10 0.00 -1.74 0.00 0.00 39.64 37.61 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 -3.35 1.27 0.01 3.28 0.00 -1.25 -2.17 107.32 105.11 2ka0 s GLY 99 Ca 0.07 -1.56 0.06 0.00 0.00 0.00 0.00 44.72 43.29 2ka0 s GLY 99 CO 0.39 -1.66 -0.20 1.25 0.00 0.00 0.00 173.10 172.89 2ka0 s LYS 100 N -3.55 1.52 -0.36 2.90 2.47 -0.38 -1.70 119.74 120.64 2ka0 s LYS 100 Ca 0.19 -0.79 -0.29 0.00 -1.56 0.00 0.00 55.97 53.52 2ka0 s LYS 100 Cb -0.00 -1.53 0.01 0.00 -1.46 0.00 0.00 37.83 34.85 2ka0 s LYS 100 CO 0.04 0.41 1.30 0.42 0.16 0.00 0.00 175.35 177.68 2ka0 s ILE 101 N -0.59 4.09 -0.11 5.43 1.01 -0.69 -1.40 121.20 128.95 2ka0 s ILE 101 Ca 0.07 1.19 0.10 0.00 0.00 0.00 0.00 60.65 62.01 2ka0 s ILE 101 Cb -0.08 -4.25 -0.14 0.00 0.01 0.00 0.00 42.46 38.00 2ka0 s ILE 101 CO 0.00 -0.64 0.05 0.55 0.00 0.00 0.00 174.94 174.89 2ka0 n VAL 102 N 6.56 0.73 -3.95 2.92 3.14 -1.09 -4.80 118.33 121.84 2ka0 n VAL 102 Ca 0.15 -0.46 -0.08 0.00 -2.96 0.00 0.00 64.34 60.99 2ka0 n VAL 102 Cb 0.47 -0.68 -0.08 0.00 -1.06 0.00 0.00 33.84 32.49 2ka0 n VAL 102 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 2ka0 s GLU 103 N -2.28 0.77 -0.22 1.45 2.02 -0.98 -5.00 118.70 114.46 2ka0 s GLU 103 Ca -0.05 -1.06 -0.01 0.00 0.02 0.00 0.00 54.97 53.86 2ka0 s GLU 103 Cb 0.03 0.30 -0.01 0.00 0.10 0.00 0.00 34.13 34.54 2ka0 s GLU 103 CO 0.45 -0.22 0.20 0.41 0.02 0.00 0.00 175.26 176.12 2ka0 n GLY 104 N -0.01 0.38 0.07 -1.39 0.00 -1.26 -1.95 105.19 101.04 2ka0 n GLY 104 Ca -0.14 -0.09 -0.09 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.82 2.07 0.09 0.99 7.94 -1.26 -4.66 117.00 120.35 2ka0 n LEU 105 Ca -0.01 -0.06 -0.16 0.00 -1.11 0.00 0.00 56.01 54.66 2ka0 n LEU 105 Cb 0.52 -0.29 -0.10 0.00 0.53 0.00 0.00 43.42 44.08 2ka0 n LEU 105 CO 0.13 0.63 0.03 -0.33 -1.11 0.00 0.00 177.39 176.73 2ka0 h GLU 106 N 0.00 0.39 0.00 1.96 5.08 -1.98 -3.27 114.58 116.76 2ka0 h GLU 106 Ca -0.35 -0.53 0.00 0.00 -1.00 0.00 0.00 59.36 57.48 2ka0 h GLU 106 Cb 1.61 0.18 0.00 0.00 0.50 0.00 0.00 28.75 31.04 2ka0 h GLU 106 CO -0.03 1.21 0.00 -3.47 -1.00 0.00 0.00 179.01 175.72 2ka0 n ASP 107 N -3.66 0.00 0.04 1.42 2.03 -1.26 -2.87 116.55 112.25 2ka0 n ASP 107 Ca -0.09 -1.06 -0.19 0.00 0.52 0.00 0.00 54.79 53.97 2ka0 n ASP 107 Cb 0.95 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 41.21 2ka0 n ASP 107 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2ka0 h LEU 108 N 0.00 0.41 0.00 -2.67 3.38 -1.83 -3.38 115.31 111.22 2ka0 h LEU 108 Ca 0.00 -0.68 0.00 0.00 0.09 0.00 0.00 57.88 57.29 2ka0 h LEU 108 Cb 0.00 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.62 2ka0 h LEU 108 CO 0.00 1.58 0.00 0.29 0.09 0.00 0.00 178.44 180.40 2ka0 n LYS 109 N -3.45 0.24 0.00 1.13 4.01 -1.14 -1.75 118.16 117.20 2ka0 n LYS 109 Ca -0.22 0.13 0.11 0.00 -0.51 0.00 0.00 58.31 57.82 2ka0 n LYS 109 Cb 1.05 -1.50 0.08 0.00 -0.51 0.00 0.00 35.03 34.15 2ka0 n LYS 109 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65 2ka0 n LYS 110 N -1.23 2.01 -1.91 1.97 2.85 -1.26 -5.04 118.16 115.56 2ka0 n LYS 110 Ca 0.07 -1.69 -0.30 0.00 -1.05 0.00 0.00 58.31 55.33 2ka0 n LYS 110 Cb 0.10 -1.44 0.03 0.00 -0.65 0.00 0.00 35.03 33.06 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 -2.01 4.08 0.40 0.58 -1.09 -0.72 -4.94 121.20 117.50 2ka0 s ILE 111 Ca 0.25 0.65 0.07 0.00 -2.23 0.00 0.00 60.65 59.39 2ka0 s ILE 111 Cb 0.19 -3.66 -0.07 0.00 -1.58 0.00 0.00 42.46 37.33 2ka0 s ILE 111 CO 0.34 -0.87 0.04 -0.54 -1.23 0.00 0.00 174.94 172.69 2ka0 s LYS 112 N -5.26 2.02 -0.06 2.79 -0.14 -1.26 -5.06 119.74 112.78 2ka0 s LYS 112 Ca 0.56 -2.02 0.03 0.00 -1.36 0.00 0.00 55.97 53.19 2ka0 s LYS 112 Cb -0.11 -1.74 0.19 0.00 -1.68 0.00 0.00 37.83 34.49 2ka0 s LYS 112 CO 0.52 -0.04 0.82 -3.47 -0.76 0.00 0.00 175.35 172.42 2ka0 n ASP 113 N -1.02 2.19 0.00 2.83 2.03 -1.25 -3.99 116.55 117.34 2ka0 n ASP 113 Ca -0.04 -2.23 0.00 0.00 0.52 0.00 0.00 54.79 53.04 2ka0 n ASP 113 Cb 0.66 -0.55 0.00 0.00 -0.72 0.00 0.00 41.12 40.51 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 0.15 -1.86 1.11 0.27 0.00 -0.63 -4.23 105.19 99.99 2ka0 n GLY 114 Ca 0.07 0.89 -0.04 0.00 0.00 0.00 0.00 46.02 46.94 2ka0 n GLY 114 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2ka0 n GLU 115 N 0.00 1.86 -3.24 1.61 0.28 -1.26 -4.81 120.64 115.08 2ka0 n GLU 115 Ca 0.00 -3.26 -0.17 0.00 -0.16 0.00 0.00 57.16 53.57 2ka0 n GLU 115 Cb 0.00 -1.80 0.02 0.00 1.43 0.00 0.00 31.44 31.08 2ka0 n GLU 115 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2ka0 n LYS 116 N -1.11 -1.45 -2.71 3.44 5.02 -1.26 -2.86 118.16 117.24 2ka0 n LYS 116 Ca 0.31 1.35 -0.41 0.00 -2.02 0.00 0.00 58.31 57.55 2ka0 n LYS 116 Cb 0.96 -2.26 -0.04 0.00 -0.02 0.00 0.00 35.03 33.68 2ka0 n LYS 116 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2ka0 s VAL 117 N -1.40 4.59 -0.31 -0.18 0.11 -0.59 -4.34 120.40 118.28 2ka0 s VAL 117 Ca 0.18 2.04 -0.10 0.00 -2.93 0.00 0.00 61.98 61.17 2ka0 s VAL 117 Cb -0.02 -4.30 -0.01 0.00 -1.53 0.00 0.00 36.38 30.51 2ka0 s VAL 117 CO 0.50 0.26 0.17 0.00 -3.33 0.00 0.00 175.10 172.70 2ka0 s ALA 118 N 0.35 3.33 -0.12 1.54 0.00 0.12 -1.19 121.76 125.79 2ka0 s ALA 118 Ca 0.49 -1.36 -0.22 0.00 0.00 0.00 0.00 51.96 50.88 2ka0 s ALA 118 Cb -0.23 -2.43 -0.03 0.00 0.00 0.00 0.00 23.12 20.42 2ka0 s ALA 118 CO 0.29 -0.88 0.64 0.08 0.00 0.00 0.00 175.76 175.90 2ka0 s VAL 119 N 1.64 5.06 0.38 0.00 1.01 0.60 -1.46 120.40 127.63 2ka0 s VAL 119 Ca 0.05 1.27 0.05 0.00 0.00 0.00 0.00 61.98 63.35 2ka0 s VAL 119 Cb -0.17 -3.97 -0.02 0.00 0.00 0.00 0.00 36.38 32.22 2ka0 s VAL 119 CO 0.07 0.21 0.17 0.54 0.00 0.00 0.00 175.10 176.09 2ka0 n ARG 120 N 4.23 0.55 0.00 2.72 1.74 0.59 -1.21 116.66 125.27 2ka0 n ARG 120 Ca -0.02 -3.30 0.15 0.00 -0.77 0.00 0.00 57.85 53.91 2ka0 n ARG 120 Cb 0.51 1.97 0.80 0.00 -1.02 0.00 0.00 32.46 34.72 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 -0.83 0.00 -4.68 -1.55 3.72 -1.26 -0.42 117.46 112.44 2ka0 n PHE 121 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 2ka0 n PHE 121 Cb 0.59 -0.18 0.00 0.00 -0.94 0.00 0.00 39.48 38.94 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 -1.18 0.00 -1.79 4.37 0.00 -1.26 -3.18 120.51 117.46 2ka0 n ALA 122 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.61 2ka0 n ALA 122 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.64 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 -3.06 0.00 0.00 0.00 3.41 -1.26 -4.96 113.62 107.75 2ka0 n SER 123 Ca 0.00 -1.39 0.00 0.00 -0.26 0.00 0.00 58.87 57.22 2ka0 n SER 123 Cb 0.00 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 63.87 2ka0 n SER 123 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34