#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 2.54 -0.06 2.12 1.81 -1.26 -2.00 118.95 122.10 2ka0 s ARG 2 Ca 0.00 1.80 -0.21 0.00 -1.72 0.00 0.00 55.73 55.61 2ka0 s ARG 2 Cb 0.00 -1.88 0.04 0.00 -0.45 0.00 0.00 34.95 32.67 2ka0 s ARG 2 CO 0.00 -1.54 0.47 0.08 -0.68 0.00 0.00 175.30 173.63 2ka0 s VAL 3 N -1.78 0.03 -0.02 3.52 1.01 -0.32 -4.42 120.40 118.41 2ka0 s VAL 3 Ca 0.76 -0.22 0.03 0.00 0.00 0.00 0.00 61.98 62.55 2ka0 s VAL 3 Cb -0.30 -0.75 -0.00 0.00 0.00 0.00 0.00 36.38 35.32 2ka0 s VAL 3 CO 0.40 -0.12 -0.10 -0.70 0.00 0.00 0.00 175.10 174.58 2ka0 s GLU 4 N -0.94 0.96 -0.40 2.72 2.12 0.31 -0.71 118.70 122.75 2ka0 s GLU 4 Ca -0.10 -0.35 -0.07 0.00 0.36 0.00 0.00 54.97 54.81 2ka0 s GLU 4 Cb -0.03 -0.90 0.08 0.00 0.26 0.00 0.00 34.13 33.54 2ka0 s GLU 4 CO 0.05 0.16 0.22 -0.51 -0.54 0.00 0.00 175.26 174.65 2ka0 s LEU 5 N 0.02 5.03 -0.47 2.70 1.43 0.11 -0.85 118.68 126.65 2ka0 s LEU 5 Ca -0.00 -1.56 -0.14 0.00 -1.03 0.00 0.00 54.13 51.39 2ka0 s LEU 5 Cb -0.07 -1.93 0.09 0.00 0.03 0.00 0.00 46.19 44.30 2ka0 s LEU 5 CO 0.00 -0.51 0.38 -0.76 0.23 0.00 0.00 176.35 175.70 2ka0 s LEU 6 N 1.36 5.63 0.75 1.79 1.43 -0.71 -1.27 118.68 127.66 2ka0 s LEU 6 Ca 0.03 -1.47 -0.06 0.00 -1.03 0.00 0.00 54.13 51.59 2ka0 s LEU 6 Cb -0.23 -2.14 0.10 0.00 0.03 0.00 0.00 46.19 43.96 2ka0 s LEU 6 CO 0.01 -0.66 1.05 -0.36 0.23 0.00 0.00 176.35 176.61 2ka0 s PHE 7 N 1.58 2.33 0.16 0.29 0.40 0.31 -0.24 117.98 122.81 2ka0 s PHE 7 Ca 0.04 0.20 -0.12 0.00 -0.60 0.00 0.00 56.93 56.45 2ka0 s PHE 7 Cb -0.25 -3.29 0.05 0.00 0.51 0.00 0.00 43.02 40.04 2ka0 s PHE 7 CO 0.05 -1.68 1.66 0.93 0.70 0.00 0.00 175.22 176.88 2ka0 h GLU 8 N -0.73 0.89 0.00 0.44 5.08 -1.13 -3.26 114.58 115.87 2ka0 h GLU 8 Ca -0.42 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 57.72 2ka0 h GLU 8 Cb 1.29 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.42 2ka0 h GLU 8 CO 0.50 0.84 -0.07 0.77 -1.00 0.00 0.00 179.01 180.06 2ka0 h SER 9 N 0.79 0.00 0.00 1.42 0.02 -1.89 -3.49 113.55 110.39 2ka0 h SER 9 Ca 0.17 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 2ka0 h SER 9 Cb 0.36 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.90 2ka0 h SER 9 CO 0.00 0.01 0.00 0.61 -1.14 0.00 0.00 176.83 176.31 2ka0 n GLY 10 N 1.22 -0.67 3.41 -3.77 0.00 -1.23 -5.01 105.19 99.14 2ka0 n GLY 10 Ca 0.05 -0.84 -0.12 0.00 0.00 0.00 0.00 46.02 45.11 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 -0.84 1.26 0.33 1.61 -2.85 -1.26 -0.53 119.74 117.46 2ka0 s LYS 11 Ca 0.00 -0.49 0.03 0.00 -1.00 0.00 0.00 55.97 54.51 2ka0 s LYS 11 Cb 0.00 0.58 -0.02 0.00 -2.06 0.00 0.00 37.83 36.33 2ka0 s LYS 11 CO 0.00 -0.54 0.34 0.00 0.10 0.00 0.00 175.35 175.25 2ka0 s VAL 13 N -3.35 0.69 0.04 0.00 1.01 -0.25 -0.71 120.40 117.82 2ka0 s VAL 13 Ca 0.37 -0.20 0.07 0.00 0.00 0.00 0.00 61.98 62.22 2ka0 s VAL 13 Cb 0.02 -0.69 -0.02 0.00 0.00 0.00 0.00 36.38 35.68 2ka0 s VAL 13 CO 0.24 0.26 -0.21 0.27 0.00 0.00 0.00 175.10 175.67 2ka0 s ILE 14 N 0.91 1.66 -0.04 2.22 -4.36 0.11 -1.76 121.20 119.95 2ka0 s ILE 14 Ca -0.11 -1.19 0.01 0.00 -0.26 0.00 0.00 60.65 59.10 2ka0 s ILE 14 Cb -0.15 -1.45 0.02 0.00 1.25 0.00 0.00 42.46 42.14 2ka0 s ILE 14 CO 0.01 0.21 -0.02 -0.62 0.24 0.00 0.00 174.94 174.76 2ka0 s ASP 15 N -1.15 0.76 -0.14 4.36 -1.08 -0.28 -1.18 116.67 117.96 2ka0 s ASP 15 Ca 0.07 -0.08 0.02 0.00 -0.52 0.00 0.00 52.55 52.04 2ka0 s ASP 15 Cb -0.09 -0.34 0.01 0.00 -1.46 0.00 0.00 42.92 41.04 2ka0 s ASP 15 CO 0.02 -0.09 -0.19 -0.76 0.52 0.00 0.00 175.17 174.67 2ka0 s LEU 16 N 1.04 1.99 0.35 -1.34 2.01 -0.85 -1.15 118.68 120.74 2ka0 s LEU 16 Ca -0.09 -0.56 -0.29 0.00 0.01 0.00 0.00 54.13 53.20 2ka0 s LEU 16 Cb -0.14 -1.35 -0.11 0.00 0.01 0.00 0.00 46.19 44.60 2ka0 s LEU 16 CO -0.01 0.04 1.53 0.21 1.01 0.00 0.00 176.35 179.13 2ka0 s ASN 17 N 1.00 6.33 -0.74 2.29 3.84 -1.14 -0.36 114.94 126.16 2ka0 s ASN 17 Ca -0.04 3.04 -0.03 0.00 0.21 0.00 0.00 52.86 56.05 2ka0 s ASN 17 Cb -0.15 -2.66 0.26 0.00 -0.55 0.00 0.00 41.25 38.16 2ka0 s ASN 17 CO -0.05 -0.90 2.25 -0.62 -2.79 0.00 0.00 177.10 174.99 2ka0 n GLU 18 N 0.94 2.71 -0.29 0.43 1.02 -1.26 -3.91 120.64 120.28 2ka0 n GLU 18 Ca 0.03 -3.20 0.02 0.00 -0.02 0.00 0.00 57.16 54.00 2ka0 n GLU 18 Cb 0.39 -2.24 0.03 0.00 -0.02 0.00 0.00 31.44 29.60 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 -0.10 0.47 -4.65 3.49 1.02 -1.26 -5.07 120.64 114.54 2ka0 n GLU 19 Ca 0.52 -1.30 -0.25 0.00 -0.02 0.00 0.00 57.16 56.11 2ka0 n GLU 19 Cb 0.32 -0.75 -0.14 0.00 -0.02 0.00 0.00 31.44 30.85 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 -0.69 1.81 0.15 -0.32 2.02 -1.25 -5.06 117.35 114.00 2ka0 s TYR 20 Ca 0.07 -0.37 -0.19 0.00 -0.37 0.00 0.00 57.07 56.21 2ka0 s TYR 20 Cb 0.06 -1.08 0.04 0.00 -0.40 0.00 0.00 41.96 40.59 2ka0 s TYR 20 CO 0.01 0.09 1.67 1.49 -1.57 0.00 0.00 175.55 177.24 2ka0 h GLU 21 N 4.89 -0.05 -0.60 -0.62 4.57 -1.94 -2.10 114.58 118.73 2ka0 h GLU 21 Ca -0.42 0.00 0.05 0.00 -1.18 0.00 0.00 59.36 57.81 2ka0 h GLU 21 Cb 1.16 0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 29.71 2ka0 h GLU 21 CO 0.44 -0.03 0.33 0.28 -1.18 0.00 0.00 179.01 178.84 2ka0 h VAL 22 N -0.05 0.98 -0.24 0.32 2.07 -1.97 -0.55 116.25 116.81 2ka0 h VAL 22 Ca 0.15 -0.21 -0.09 0.00 0.82 0.00 0.00 66.70 67.37 2ka0 h VAL 22 Cb 0.28 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 2ka0 h VAL 22 CO -0.34 0.11 -0.24 0.58 0.02 0.00 0.00 177.57 177.71 2ka0 h VAL 23 N 0.62 1.26 -0.06 2.57 2.07 -1.69 0.25 116.25 121.26 2ka0 h VAL 23 Ca 0.26 -1.22 -0.01 0.00 0.82 0.00 0.00 66.70 66.55 2ka0 h VAL 23 Cb 0.14 1.34 -0.00 0.00 -1.52 0.00 0.00 31.29 31.25 2ka0 h VAL 23 CO -0.16 0.39 -0.00 0.11 0.02 0.00 0.00 177.57 177.92 2ka0 h LYS 24 N 0.39 0.11 0.00 1.57 1.57 -1.16 -2.82 116.57 116.24 2ka0 h LYS 24 Ca 0.06 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 2ka0 h LYS 24 Cb 0.64 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.93 2ka0 h LYS 24 CO 0.05 0.40 -0.10 -0.07 -0.57 0.00 0.00 179.45 179.16 2ka0 h LEU 25 N -0.19 0.00 -0.39 2.94 3.38 -0.26 -1.26 115.31 119.53 2ka0 h LEU 25 Ca 0.02 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 2ka0 h LEU 25 Cb 0.36 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2ka0 h LEU 25 CO 0.00 0.10 -0.17 -0.07 0.09 0.00 0.00 178.44 178.39 2ka0 h LEU 26 N 0.00 0.83 -1.33 1.67 3.38 -0.55 -3.31 115.31 115.99 2ka0 h LEU 26 Ca -0.00 -0.40 0.10 0.00 0.09 0.00 0.00 57.88 57.67 2ka0 h LEU 26 Cb 0.62 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 41.09 2ka0 h LEU 26 CO 0.01 1.05 0.53 0.50 0.09 0.00 0.00 178.44 180.62 2ka0 h LYS 27 N 0.62 0.71 0.00 1.13 3.64 -0.95 0.01 116.57 121.73 2ka0 h LYS 27 Ca 0.09 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.40 2ka0 h LYS 27 Cb 0.72 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.38 2ka0 h LYS 27 CO 0.05 0.47 -0.14 0.93 -2.27 0.00 0.00 179.45 178.50 2ka0 h GLU 28 N 0.74 0.00 -0.11 1.90 4.39 -1.65 -3.13 114.58 116.72 2ka0 h GLU 28 Ca 0.38 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.08 2ka0 h GLU 28 Cb 0.47 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 2ka0 h GLU 28 CO -0.15 0.14 0.00 1.63 -1.16 0.00 0.00 179.01 179.47 2ka0 n LYS 29 N -4.31 1.36 -3.78 2.33 4.76 -0.04 -4.97 118.16 113.51 2ka0 n LYS 29 Ca -0.03 -1.52 -0.36 0.00 -2.87 0.00 0.00 58.31 53.53 2ka0 n LYS 29 Cb 0.21 -1.28 -0.06 0.00 -1.84 0.00 0.00 35.03 32.06 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 -1.13 5.36 0.81 -0.18 1.01 -1.03 -3.69 121.20 122.35 2ka0 s ILE 30 Ca 0.19 0.26 -0.11 0.00 0.00 0.00 0.00 60.65 60.99 2ka0 s ILE 30 Cb 0.12 -3.52 0.08 0.00 0.01 0.00 0.00 42.46 39.15 2ka0 s ILE 30 CO 0.18 0.50 1.10 -2.16 0.00 0.00 0.00 174.94 174.56 2ka0 s PRO 31 N -1.38 1.96 0.32 2.79 0.05 -1.26 -5.01 135.00 132.48 2ka0 s PRO 31 Ca 0.22 1.20 -0.10 0.00 0.05 0.00 0.00 61.00 62.37 2ka0 s PRO 31 Cb -0.13 -1.86 0.01 0.00 0.05 0.00 0.00 34.50 32.57 2ka0 s PRO 31 CO 0.11 -1.86 0.57 -0.59 0.05 0.00 0.00 177.00 175.28 2ka0 s PHE 32 N -2.86 0.54 0.31 0.56 -0.71 -0.97 -5.03 117.98 109.81 2ka0 s PHE 32 Ca 0.62 -0.94 0.05 0.00 -1.04 0.00 0.00 56.93 55.63 2ka0 s PHE 32 Cb -0.18 0.28 -0.03 0.00 -1.21 0.00 0.00 43.02 41.87 2ka0 s PHE 32 CO 0.56 -1.21 0.26 -1.83 -1.34 0.00 0.00 175.22 171.66 2ka0 s GLU 33 N -3.22 1.66 0.00 1.99 4.04 -1.26 -0.22 118.70 121.69 2ka0 s GLU 33 Ca 0.23 -1.94 0.00 0.00 0.04 0.00 0.00 54.97 53.31 2ka0 s GLU 33 Cb -0.02 0.32 0.00 0.00 0.02 0.00 0.00 34.13 34.45 2ka0 s GLU 33 CO 0.14 -0.61 0.00 0.45 -1.84 0.00 0.00 175.26 173.40 2ka0 n SER 34 N -1.30 0.00 -4.25 0.83 2.88 -1.20 -4.93 113.62 105.66 2ka0 n SER 34 Ca 0.06 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.29 2ka0 n SER 34 Cb 0.63 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.92 2ka0 n SER 34 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2ka0 s VAL 35 N -1.88 2.02 -1.25 2.46 1.01 -1.26 -4.25 120.40 117.24 2ka0 s VAL 35 Ca 0.00 -1.03 -0.13 0.00 0.00 0.00 0.00 61.98 60.81 2ka0 s VAL 35 Cb 0.00 -1.71 0.15 0.00 0.00 0.00 0.00 36.38 34.82 2ka0 s VAL 35 CO 0.00 0.56 1.62 0.52 0.00 0.00 0.00 175.10 177.80 2ka0 n VAL 36 N 3.08 4.21 -1.72 2.92 0.31 -1.26 -4.44 118.33 121.42 2ka0 n VAL 36 Ca -0.18 -4.50 -0.36 0.00 -0.01 0.00 0.00 64.34 59.29 2ka0 n VAL 36 Cb 0.52 -2.43 0.07 0.00 -0.91 0.00 0.00 33.84 31.09 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 2.49 4.61 0.01 4.52 0.01 -1.11 -2.87 114.94 122.60 2ka0 s ASN 37 Ca 0.43 2.52 0.07 0.00 -0.71 0.00 0.00 52.86 55.18 2ka0 s ASN 37 Cb 0.02 -2.61 -0.02 0.00 0.41 0.00 0.00 41.25 39.05 2ka0 s ASN 37 CO 0.01 -1.99 -0.20 0.42 -1.51 0.00 0.00 177.10 173.82 2ka0 s THR 38 N -1.56 1.62 -0.27 1.60 -4.23 -1.26 -2.50 115.64 109.04 2ka0 s THR 38 Ca 0.80 -1.03 -0.01 0.00 -1.18 0.00 0.00 61.69 60.27 2ka0 s THR 38 Cb -0.34 -1.38 0.15 0.00 1.34 0.00 0.00 72.50 72.27 2ka0 s THR 38 CO 0.40 0.32 0.43 0.86 -0.54 0.00 0.00 174.62 176.09 2ka0 s TRP 39 N -0.64 -1.05 -1.51 3.99 -0.00 -0.23 -4.98 118.94 114.51 2ka0 s TRP 39 Ca 0.07 0.88 0.00 0.00 -0.00 0.00 0.00 56.10 57.05 2ka0 s TRP 39 Cb -0.08 0.09 0.00 0.00 -0.00 0.00 0.00 33.47 33.47 2ka0 s TRP 39 CO 0.01 -0.82 0.00 0.41 -0.00 0.00 0.00 176.95 176.54 2ka0 n GLY 40 N 5.38 1.15 2.10 5.86 0.00 -1.26 -0.74 105.19 117.67 2ka0 n GLY 40 Ca -0.02 -0.31 -0.05 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.54 -0.37 -4.31 1.61 1.02 -1.26 -3.20 120.64 111.60 2ka0 n GLU 41 Ca -0.15 0.30 -0.27 0.00 -0.02 0.00 0.00 57.16 57.01 2ka0 n GLU 41 Cb 0.52 -4.05 -0.10 0.00 -0.02 0.00 0.00 31.44 27.79 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 -3.94 1.93 -0.12 3.49 2.12 0.08 -3.22 118.70 119.04 2ka0 s GLU 42 Ca 0.00 -1.27 0.01 0.00 0.36 0.00 0.00 54.97 54.07 2ka0 s GLU 42 Cb 0.00 -2.11 0.02 0.00 0.26 0.00 0.00 34.13 32.29 2ka0 s GLU 42 CO 0.00 0.44 -0.16 0.42 -0.54 0.00 0.00 175.26 175.43 2ka0 s ILE 43 N -1.56 1.58 -0.02 -3.70 1.01 -1.17 -1.07 121.20 116.26 2ka0 s ILE 43 Ca 0.23 -0.68 0.00 0.00 0.00 0.00 0.00 60.65 60.21 2ka0 s ILE 43 Cb -0.09 -1.45 0.02 0.00 0.01 0.00 0.00 42.46 40.95 2ka0 s ILE 43 CO 0.13 0.46 -0.00 -0.72 0.00 0.00 0.00 174.94 174.81 2ka0 s TYR 44 N 1.10 0.24 0.07 3.97 1.13 -1.04 -1.49 117.35 121.32 2ka0 s TYR 44 Ca -0.04 0.01 0.01 0.00 -1.41 0.00 0.00 57.07 55.65 2ka0 s TYR 44 Cb -0.14 -0.31 -0.04 0.00 -1.10 0.00 0.00 41.96 40.37 2ka0 s TYR 44 CO -0.04 -0.09 -0.06 -0.59 -2.51 0.00 0.00 175.55 172.26 2ka0 s PHE 45 N 0.76 0.73 -0.17 -3.49 -0.12 -1.26 -2.77 117.98 111.66 2ka0 s PHE 45 Ca -0.07 -0.81 -0.29 0.00 -0.05 0.00 0.00 56.93 55.71 2ka0 s PHE 45 Cb -0.10 -0.45 -0.04 0.00 -0.63 0.00 0.00 43.02 41.80 2ka0 s PHE 45 CO -0.02 -0.17 1.70 0.45 -0.05 0.00 0.00 175.22 177.13 2ka0 s SER 46 N -2.55 6.35 0.48 1.98 0.15 -1.26 -2.28 113.70 116.57 2ka0 s SER 46 Ca 0.04 1.83 -0.17 0.00 0.70 0.00 0.00 55.95 58.34 2ka0 s SER 46 Cb 0.01 -2.53 -0.08 0.00 -1.71 0.00 0.00 66.02 61.70 2ka0 s SER 46 CO -0.04 -1.25 0.95 0.42 1.20 0.00 0.00 173.24 174.52 2ka0 s THR 47 N 5.21 4.53 -1.92 6.45 -4.23 -0.53 -4.72 115.64 120.43 2ka0 s THR 47 Ca 0.75 1.22 0.31 0.00 -1.18 0.00 0.00 61.69 62.79 2ka0 s THR 47 Cb -0.28 -3.69 0.85 0.00 1.34 0.00 0.00 72.50 70.71 2ka0 s THR 47 CO 0.31 -0.58 2.18 -0.81 -0.54 0.00 0.00 174.62 175.18 2ka0 n PRO 48 N -1.31 0.91 -1.95 3.99 -0.04 -1.26 -4.86 135.00 130.49 2ka0 n PRO 48 Ca 0.06 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.22 2ka0 n PRO 48 Cb 0.54 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.54 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 -2.08 3.67 0.00 0.52 1.01 -1.26 -5.03 120.40 117.23 2ka0 s VAL 49 Ca 0.45 0.47 0.04 0.00 0.00 0.00 0.00 61.98 62.94 2ka0 s VAL 49 Cb 0.21 -3.53 0.07 0.00 0.00 0.00 0.00 36.38 33.14 2ka0 s VAL 49 CO 0.38 -0.68 0.97 -3.20 0.00 0.00 0.00 175.10 172.57 2ka0 n ASN 50 N -2.92 0.13 -4.70 3.32 2.85 -1.26 -4.91 115.26 107.77 2ka0 n ASN 50 Ca 0.06 -1.88 -0.34 0.00 -0.11 0.00 0.00 54.58 52.32 2ka0 n ASN 50 Cb 0.57 -0.18 0.12 0.00 1.24 0.00 0.00 39.78 41.53 2ka0 n ASN 50 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2ka0 s VAL 51 N 0.00 2.11 0.00 3.44 0.11 -1.26 -4.98 120.40 119.82 2ka0 s VAL 51 Ca 0.06 0.05 0.00 0.00 -2.93 0.00 0.00 61.98 59.15 2ka0 s VAL 51 Cb 0.06 -2.48 0.00 0.00 -1.53 0.00 0.00 36.38 32.43 2ka0 s VAL 51 CO -0.03 -0.03 0.06 0.00 -3.33 0.00 0.00 175.10 171.77 2ka0 n GLN 52 N -3.20 0.71 -2.29 1.54 6.02 -1.26 -4.77 117.38 114.13 2ka0 n GLN 52 Ca 0.13 -0.06 -0.40 0.00 -0.01 0.00 0.00 57.00 56.66 2ka0 n GLN 52 Cb 0.50 -0.38 -0.03 0.00 1.02 0.00 0.00 30.24 31.36 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 -0.12 4.44 -0.06 -1.09 2.20 -1.26 -5.00 119.74 118.85 2ka0 s LYS 53 Ca 0.00 2.00 0.02 0.00 -0.36 0.00 0.00 55.97 57.63 2ka0 s LYS 53 Cb 0.00 -3.07 0.01 0.00 -1.51 0.00 0.00 37.83 33.26 2ka0 s LYS 53 CO 0.00 -0.04 -0.12 0.00 -0.36 0.00 0.00 175.35 174.83 2ka0 s MET 54 N -1.72 1.57 -0.06 4.03 0.23 -1.26 -4.76 119.30 117.33 2ka0 s MET 54 Ca 0.48 -0.40 -0.05 0.00 -1.03 0.00 0.00 55.69 54.69 2ka0 s MET 54 Cb -0.35 -1.33 -0.28 0.00 -1.53 0.00 0.00 34.83 31.34 2ka0 s MET 54 CO 0.46 0.05 0.60 0.93 -2.03 0.00 0.00 175.02 175.03 2ka0 h GLU 55 N 6.86 0.28 -2.25 3.16 4.39 -1.97 -3.44 114.58 121.61 2ka0 h GLU 55 Ca -0.32 -0.48 -0.58 0.00 0.34 0.00 0.00 59.36 58.32 2ka0 h GLU 55 Cb 1.18 0.18 -0.42 0.00 -0.10 0.00 0.00 28.75 29.59 2ka0 h GLU 55 CO 0.48 1.16 -0.68 -1.71 -1.16 0.00 0.00 179.01 177.10 2ka0 n ASN 56 N -3.47 4.05 -4.69 1.42 4.05 -1.26 -5.06 115.26 110.31 2ka0 n ASN 56 Ca -0.25 -3.58 -0.42 0.00 0.45 0.00 0.00 54.58 50.78 2ka0 n ASN 56 Cb 1.06 -0.59 -0.03 0.00 1.23 0.00 0.00 39.78 41.45 2ka0 n ASN 56 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 2ka0 s PRO 57 N -3.19 4.20 0.06 1.20 0.04 -1.26 -2.66 135.00 133.39 2ka0 s PRO 57 Ca 0.47 2.32 0.08 0.00 0.04 0.00 0.00 61.00 63.91 2ka0 s PRO 57 Cb 0.26 -3.54 -0.03 0.00 0.04 0.00 0.00 34.50 31.23 2ka0 s PRO 57 CO -0.11 -0.71 -0.20 1.03 0.04 0.00 0.00 177.00 177.04 2ka0 s ARG 58 N 2.42 1.94 0.00 4.56 0.52 -0.07 -4.93 118.95 123.40 2ka0 s ARG 58 Ca 0.73 -1.05 0.19 0.00 -0.52 0.00 0.00 55.73 55.08 2ka0 s ARG 58 Cb -0.40 -2.12 0.10 0.00 0.52 0.00 0.00 34.95 33.05 2ka0 s ARG 58 CO 0.32 0.52 1.05 0.39 0.02 0.00 0.00 175.30 177.61 2ka0 n GLU 59 N 1.48 1.64 -3.57 3.54 1.02 -1.26 -2.31 120.64 121.18 2ka0 n GLU 59 Ca -0.16 -1.39 -0.15 0.00 -0.02 0.00 0.00 57.16 55.44 2ka0 n GLU 59 Cb 0.52 -1.36 -0.06 0.00 -0.02 0.00 0.00 31.44 30.52 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 -1.79 0.00 0.11 2.62 0.11 -1.26 -4.09 120.40 116.10 2ka0 s VAL 60 Ca 0.20 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.27 2ka0 s VAL 60 Cb 0.16 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 34.00 2ka0 s VAL 60 CO 0.32 0.00 0.08 1.33 -3.33 0.00 0.00 175.10 173.50 2ka0 n VAL 61 N 1.37 0.00 -4.10 2.04 0.24 -0.90 -4.98 118.33 111.99 2ka0 n VAL 61 Ca -0.15 -0.75 -0.23 0.00 -2.04 0.00 0.00 64.34 61.17 2ka0 n VAL 61 Cb 0.57 0.35 -0.04 0.00 -1.47 0.00 0.00 33.84 33.24 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 -2.43 2.95 -1.18 7.34 0.41 -1.26 -4.68 118.70 119.85 2ka0 s GLU 62 Ca 0.11 -1.00 -0.21 0.00 -0.41 0.00 0.00 54.97 53.45 2ka0 s GLU 62 Cb 0.01 -2.60 -0.03 0.00 -1.78 0.00 0.00 34.13 29.73 2ka0 s GLU 62 CO 0.08 0.42 1.85 0.42 -0.49 0.00 0.00 175.26 177.54 2ka0 s ILE 63 N -2.06 3.73 0.00 -1.63 1.01 -1.26 -2.07 121.20 118.92 2ka0 s ILE 63 Ca 0.33 -1.16 0.00 0.00 0.00 0.00 0.00 60.65 59.82 2ka0 s ILE 63 Cb -0.08 -4.73 0.00 0.00 0.01 0.00 0.00 42.46 37.65 2ka0 s ILE 63 CO 0.25 -1.35 0.00 0.61 0.00 0.00 0.00 174.94 174.45 2ka0 n GLY 64 N 5.84 -0.58 4.02 6.18 0.00 -0.89 -4.94 105.19 114.82 2ka0 n GLY 64 Ca 0.45 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.28 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 0.00 5.27 -0.02 1.61 1.01 -0.88 -0.78 116.67 122.88 2ka0 s ASP 65 Ca 0.00 -0.72 0.01 0.00 0.71 0.00 0.00 52.55 52.55 2ka0 s ASP 65 Cb 0.00 -0.03 0.01 0.00 1.01 0.00 0.00 42.92 43.91 2ka0 s ASP 65 CO 0.00 -1.13 -0.03 -0.69 0.21 0.00 0.00 175.17 173.53 2ka0 s VAL 66 N -2.56 0.36 0.14 -1.27 1.01 -0.05 -3.28 120.40 114.74 2ka0 s VAL 66 Ca 0.58 -0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.49 2ka0 s VAL 66 Cb -0.07 -0.37 0.02 0.00 0.00 0.00 0.00 36.38 35.96 2ka0 s VAL 66 CO 0.36 0.15 0.20 0.61 0.00 0.00 0.00 175.10 176.42 2ka0 n GLY 67 N 3.62 1.74 3.17 4.51 0.00 -0.63 -1.73 105.19 115.87 2ka0 n GLY 67 Ca -0.21 -2.12 -0.13 0.00 0.00 0.00 0.00 46.02 43.55 2ka0 n GLY 67 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2ka0 s TYR 68 N 0.05 1.01 -0.57 1.61 1.13 -0.97 -3.65 117.35 115.96 2ka0 s TYR 68 Ca 0.14 -0.71 0.04 0.00 -1.41 0.00 0.00 57.07 55.14 2ka0 s TYR 68 Cb -0.01 -0.56 0.14 0.00 -1.10 0.00 0.00 41.96 40.44 2ka0 s TYR 68 CO 0.09 -0.03 0.33 -0.46 -2.51 0.00 0.00 175.55 172.97 2ka0 s TRP 69 N -2.70 3.19 0.18 -3.49 -0.00 -0.41 -3.44 118.94 112.26 2ka0 s TRP 69 Ca 0.07 -3.17 -0.13 0.00 -0.00 0.00 0.00 56.10 52.87 2ka0 s TRP 69 Cb -0.01 -2.69 0.16 0.00 -0.00 0.00 0.00 33.47 30.93 2ka0 s TRP 69 CO -0.01 -0.68 1.76 -1.35 -0.00 0.00 0.00 176.95 176.67 2ka0 h PRO 70 N 6.15 0.38 0.00 5.86 0.11 -1.86 -2.24 132.00 140.40 2ka0 h PRO 70 Ca 0.00 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.06 2ka0 h PRO 70 Cb 0.85 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 31.87 2ka0 h PRO 70 CO 0.68 0.25 -0.13 -1.00 -0.21 0.00 0.00 178.00 177.59 2ka0 h PRO 71 N 0.39 0.00 -0.51 1.05 0.13 -1.96 -0.13 132.00 130.97 2ka0 h PRO 71 Ca 0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.36 2ka0 h PRO 71 Cb 0.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.35 2ka0 h PRO 71 CO -0.22 0.13 0.00 0.41 -0.23 0.00 0.00 178.00 178.09 2ka0 n GLY 72 N -0.39 2.84 4.16 1.56 0.00 -1.19 -4.99 105.19 107.18 2ka0 n GLY 72 Ca -0.01 -0.68 -0.30 0.00 0.00 0.00 0.00 46.02 45.03 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 0.85 -2.23 -4.41 1.61 4.01 -0.06 -4.88 118.16 113.05 2ka0 n LYS 73 Ca 0.20 0.27 -0.25 0.00 -0.51 0.00 0.00 58.31 58.01 2ka0 n LYS 73 Cb 0.64 -4.26 -0.10 0.00 -0.51 0.00 0.00 35.03 30.80 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 -3.99 2.74 0.79 7.82 0.00 -0.86 -1.45 121.76 126.81 2ka0 s ALA 74 Ca 0.15 -1.71 -0.09 0.00 0.00 0.00 0.00 51.96 50.31 2ka0 s ALA 74 Cb -0.08 -0.41 0.10 0.00 0.00 0.00 0.00 23.12 22.73 2ka0 s ALA 74 CO 0.94 0.36 1.12 -1.17 0.00 0.00 0.00 175.76 177.02 2ka0 s LEU 75 N -3.12 2.73 -0.26 0.00 2.96 -0.97 -1.29 118.68 118.73 2ka0 s LEU 75 Ca 0.26 0.41 -0.01 0.00 -0.22 0.00 0.00 54.13 54.57 2ka0 s LEU 75 Cb -0.07 -2.86 0.14 0.00 0.50 0.00 0.00 46.19 43.91 2ka0 s LEU 75 CO 0.14 -1.95 0.37 0.00 -1.32 0.00 0.00 176.35 173.58 2ka0 s LEU 77 N 2.50 4.08 -0.42 0.00 1.43 -0.56 -1.61 118.68 124.11 2ka0 s LEU 77 Ca 0.11 0.93 -0.10 0.00 -1.03 0.00 0.00 54.13 54.04 2ka0 s LEU 77 Cb -0.14 -3.07 0.07 0.00 0.03 0.00 0.00 46.19 43.07 2ka0 s LEU 77 CO -0.23 -0.46 0.27 -0.36 0.23 0.00 0.00 176.35 175.80 2ka0 s PHE 78 N 2.67 3.31 0.00 0.29 0.08 -1.21 -3.07 117.98 120.06 2ka0 s PHE 78 Ca 0.32 -1.36 0.00 0.00 0.12 0.00 0.00 56.93 56.01 2ka0 s PHE 78 Cb -0.15 -2.91 0.00 0.00 -0.57 0.00 0.00 43.02 39.39 2ka0 s PHE 78 CO 0.08 -0.81 0.56 1.97 -0.10 0.00 0.00 175.22 176.91 2ka0 n PHE 79 N 4.97 0.00 0.00 0.36 -1.74 -1.24 -2.10 117.46 117.71 2ka0 n PHE 79 Ca -0.11 -0.09 0.00 0.00 -0.56 0.00 0.00 57.45 56.70 2ka0 n PHE 79 Cb 0.43 -0.01 0.00 0.00 1.52 0.00 0.00 39.48 41.43 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 -0.09 3.34 3.48 4.97 0.00 -1.20 -5.01 105.19 110.69 2ka0 n GLY 80 Ca 0.00 -0.16 -0.05 0.00 0.00 0.00 0.00 46.02 45.81 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 3.12 0.49 0.20 1.61 2.20 -1.26 -4.90 119.74 121.20 2ka0 s LYS 81 Ca 0.00 1.23 0.01 0.00 -0.36 0.00 0.00 55.97 56.86 2ka0 s LYS 81 Cb 0.00 0.54 -0.04 0.00 -1.51 0.00 0.00 37.83 36.82 2ka0 s LYS 81 CO 0.00 -0.21 0.36 0.95 -0.36 0.00 0.00 175.35 176.09 2ka0 s THR 82 N 2.56 5.25 -2.00 3.43 -4.23 -1.19 -4.67 115.64 114.78 2ka0 s THR 82 Ca -0.05 -0.57 0.18 0.00 -1.18 0.00 0.00 61.69 60.07 2ka0 s THR 82 Cb -0.11 -3.76 0.52 0.00 1.34 0.00 0.00 72.50 70.49 2ka0 s THR 82 CO -0.16 -0.20 1.59 -0.81 -0.54 0.00 0.00 174.62 174.50 2ka0 n PRO 83 N -0.81 0.83 0.06 3.99 -0.04 -1.26 -2.58 135.00 135.18 2ka0 n PRO 83 Ca -0.06 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.29 2ka0 n PRO 83 Cb 0.54 -1.34 -0.13 0.00 -0.04 0.00 0.00 33.50 32.53 2ka0 n PRO 83 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 2ka0 h MET 84 N 0.00 0.11 -7.12 0.54 2.86 -1.92 -3.47 114.93 105.92 2ka0 h MET 84 Ca 0.00 -0.18 -0.46 0.00 -2.06 0.00 0.00 59.70 57.00 2ka0 h MET 84 Cb 0.00 0.07 0.08 0.00 0.06 0.00 0.00 31.60 31.81 2ka0 h MET 84 CO 0.00 1.01 0.11 -1.54 1.06 0.00 0.00 176.91 177.55 2ka0 s SER 85 N -6.78 4.48 0.23 1.22 1.04 -1.07 -5.00 113.70 107.82 2ka0 s SER 85 Ca -0.03 -0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.20 2ka0 s SER 85 Cb 0.08 -0.27 0.00 0.00 0.10 0.00 0.00 66.02 65.94 2ka0 s SER 85 CO 0.84 -1.77 0.00 0.47 0.98 0.00 0.00 173.24 173.77 2ka0 n ASP 86 N -2.81 -0.50 0.18 7.02 8.00 -1.26 -4.94 116.55 122.24 2ka0 n ASP 86 Ca 0.13 0.41 0.05 0.00 0.71 0.00 0.00 54.79 56.09 2ka0 n ASP 86 Cb 0.60 0.64 0.29 0.00 -0.02 0.00 0.00 41.12 42.63 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 0.00 -4.79 -2.24 5.19 -1.99 -3.46 116.42 109.12 2ka0 h ASP 87 Ca 0.00 0.00 0.14 0.00 -0.62 0.00 0.00 57.03 56.55 2ka0 h ASP 87 Cb 0.00 0.00 -0.14 0.00 0.18 0.00 0.00 39.33 39.37 2ka0 h ASP 87 CO 0.00 0.41 0.52 -1.59 -3.12 0.00 0.00 179.24 175.47 2ka0 s LYS 88 N -3.52 0.85 -1.14 3.56 -2.85 -1.26 -5.08 119.74 110.29 2ka0 s LYS 88 Ca 0.00 -0.36 -0.21 0.00 -1.00 0.00 0.00 55.97 54.40 2ka0 s LYS 88 Cb 0.11 0.36 0.01 0.00 -2.06 0.00 0.00 37.83 36.24 2ka0 s LYS 88 CO 0.70 -0.38 1.75 0.42 0.10 0.00 0.00 175.35 177.94 2ka0 s ILE 89 N -3.08 3.82 0.36 3.79 1.01 -1.26 -4.73 121.20 121.10 2ka0 s ILE 89 Ca 0.07 -1.13 -0.26 0.00 0.00 0.00 0.00 60.65 59.34 2ka0 s ILE 89 Cb -0.01 -4.81 -0.09 0.00 0.01 0.00 0.00 42.46 37.56 2ka0 s ILE 89 CO -0.06 -1.57 1.04 -1.10 0.00 0.00 0.00 174.94 173.25 2ka0 s GLN 90 N 5.43 4.33 0.77 2.79 -0.21 -1.26 -2.12 119.66 129.39 2ka0 s GLN 90 Ca 0.58 1.55 -0.13 0.00 0.02 0.00 0.00 55.36 57.38 2ka0 s GLN 90 Cb 0.00 -2.73 0.18 0.00 1.00 0.00 0.00 33.01 31.47 2ka0 s GLN 90 CO 0.03 0.00 0.97 -0.35 -2.12 0.00 0.00 175.29 173.82 2ka0 n PRO 91 N 0.31 -1.27 -0.21 2.91 -0.04 -1.26 -4.23 135.00 131.21 2ka0 n PRO 91 Ca 0.03 -1.50 0.01 0.00 -0.04 0.00 0.00 63.50 62.00 2ka0 n PRO 91 Cb 0.49 -1.07 0.12 0.00 -0.04 0.00 0.00 33.50 33.00 2ka0 n PRO 91 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ka0 h ALA 92 N -1.97 0.80 -2.68 0.55 0.00 -1.98 -3.46 119.26 110.53 2ka0 h ALA 92 Ca -0.32 0.11 0.11 0.00 0.00 0.00 0.00 54.91 54.81 2ka0 h ALA 92 Cb 0.90 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 2ka0 h ALA 92 CO 0.22 -0.25 0.52 0.45 0.00 0.00 0.00 179.25 180.19 2ka0 s SER 93 N -5.34 0.02 -0.61 0.00 0.15 -1.26 -5.10 113.70 101.57 2ka0 s SER 93 Ca -0.13 -0.83 -0.29 0.00 0.70 0.00 0.00 55.95 55.40 2ka0 s SER 93 Cb 0.18 0.59 -0.12 0.00 -1.71 0.00 0.00 66.02 64.96 2ka0 s SER 93 CO 0.75 -1.18 2.45 0.00 1.20 0.00 0.00 173.24 176.45 2ka0 n ALA 94 N -0.68 0.73 -2.27 5.45 0.00 -1.26 -4.93 120.51 117.54 2ka0 n ALA 94 Ca -0.04 -0.54 -0.33 0.00 0.00 0.00 0.00 53.44 52.53 2ka0 n ALA 94 Cb 0.59 -2.79 -0.06 0.00 0.00 0.00 0.00 19.45 17.20 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 10.16 4.79 -0.50 0.00 -7.23 -0.98 -4.76 120.40 121.89 2ka0 s VAL 95 Ca 1.12 0.77 -0.27 0.00 -1.81 0.00 0.00 61.98 61.79 2ka0 s VAL 95 Cb -0.65 -3.64 0.03 0.00 0.56 0.00 0.00 36.38 32.68 2ka0 s VAL 95 CO 0.38 -0.07 1.07 0.21 -0.31 0.00 0.00 175.10 176.38 2ka0 s ASN 96 N -2.20 6.54 -0.02 4.85 2.47 -1.22 -0.89 114.94 124.47 2ka0 s ASN 96 Ca 0.49 0.24 0.00 0.00 0.42 0.00 0.00 52.86 54.01 2ka0 s ASN 96 Cb -0.12 -2.51 0.02 0.00 -1.45 0.00 0.00 41.25 37.19 2ka0 s ASN 96 CO 0.19 -1.23 1.33 0.55 -3.72 0.00 0.00 177.10 174.21 2ka0 n VAL 97 N 6.65 1.37 0.22 -5.21 3.14 -1.09 -2.29 118.33 121.12 2ka0 n VAL 97 Ca 0.09 -0.22 0.06 0.00 -2.96 0.00 0.00 64.34 61.32 2ka0 n VAL 97 Cb 0.49 -1.14 0.31 0.00 -1.06 0.00 0.00 33.84 32.43 2ka0 n VAL 97 CO 0.00 0.00 0.00 2.30 -6.46 0.00 0.00 176.83 172.67 2ka0 n ILE 98 N 0.75 1.33 -4.25 1.55 -5.35 -1.17 -4.56 119.36 107.67 2ka0 n ILE 98 Ca 0.02 0.46 -0.23 0.00 -0.27 0.00 0.00 62.75 62.73 2ka0 n ILE 98 Cb 0.53 -1.40 -0.07 0.00 -1.74 0.00 0.00 39.64 36.97 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 -3.24 1.60 -0.02 3.28 0.00 -0.71 -2.87 107.32 105.36 2ka0 s GLY 99 Ca 0.02 -1.59 0.06 0.00 0.00 0.00 0.00 44.72 43.21 2ka0 s GLY 99 CO 0.18 -1.64 -0.21 1.25 0.00 0.00 0.00 173.10 172.67 2ka0 s LYS 100 N -3.68 2.23 -0.80 2.90 2.20 -0.30 -0.88 119.74 121.43 2ka0 s LYS 100 Ca 0.32 -0.86 -0.25 0.00 -0.36 0.00 0.00 55.97 54.81 2ka0 s LYS 100 Cb -0.07 -2.18 -0.01 0.00 -1.51 0.00 0.00 37.83 34.06 2ka0 s LYS 100 CO 0.21 0.58 1.76 0.42 -0.36 0.00 0.00 175.35 177.96 2ka0 s ILE 101 N -0.70 3.51 0.15 5.43 1.01 0.04 -1.12 121.20 129.51 2ka0 s ILE 101 Ca 0.11 -0.12 0.03 0.00 0.00 0.00 0.00 60.65 60.67 2ka0 s ILE 101 Cb -0.10 -4.25 -0.18 0.00 0.01 0.00 0.00 42.46 37.95 2ka0 s ILE 101 CO 0.00 -1.19 1.33 -0.37 0.00 0.00 0.00 174.94 174.72 2ka0 h VAL 102 N 6.91 1.55 -3.42 2.92 -1.51 -1.61 -3.45 116.25 117.63 2ka0 h VAL 102 Ca -0.06 -2.86 -0.04 0.00 -1.23 0.00 0.00 66.70 62.51 2ka0 h VAL 102 Cb 1.07 2.61 -0.11 0.00 -2.13 0.00 0.00 31.29 32.73 2ka0 h VAL 102 CO 1.25 0.83 -0.06 -1.61 -1.23 0.00 0.00 177.57 176.75 2ka0 s GLU 103 N -3.03 1.26 -0.29 5.19 2.02 -0.95 -4.98 118.70 117.93 2ka0 s GLU 103 Ca -0.02 -0.87 -0.00 0.00 0.02 0.00 0.00 54.97 54.10 2ka0 s GLU 103 Cb 0.10 0.48 0.00 0.00 0.10 0.00 0.00 34.13 34.81 2ka0 s GLU 103 CO 0.83 -0.51 0.03 0.41 0.02 0.00 0.00 175.26 176.04 2ka0 n GLY 104 N -0.29 0.29 0.26 -1.39 0.00 -1.26 -1.09 105.19 101.71 2ka0 n GLY 104 Ca -0.11 -0.71 -0.14 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.06 -0.57 -0.36 0.99 5.85 -1.92 -2.71 115.31 116.52 2ka0 h LEU 105 Ca -0.09 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.68 2ka0 h LEU 105 Cb 1.06 0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.28 2ka0 h LEU 105 CO 0.10 -0.33 0.00 1.05 -0.34 0.00 0.00 178.44 178.92 2ka0 h GLU 106 N -0.49 0.00 0.00 1.25 4.11 -1.96 -2.53 114.58 114.96 2ka0 h GLU 106 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.42 2ka0 h GLU 106 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 2ka0 h GLU 106 CO -0.03 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 178.80 2ka0 n ASP 107 N -2.68 0.22 0.10 3.06 8.00 -1.03 -1.77 116.55 122.45 2ka0 n ASP 107 Ca 0.04 0.58 0.01 0.00 0.71 0.00 0.00 54.79 56.13 2ka0 n ASP 107 Cb 0.41 -0.62 -0.02 0.00 -0.02 0.00 0.00 41.12 40.87 2ka0 n ASP 107 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2ka0 h LEU 108 N 0.00 0.00 -1.32 0.64 3.38 -1.45 -3.33 115.31 113.23 2ka0 h LEU 108 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2ka0 h LEU 108 Cb 0.10 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 2ka0 h LEU 108 CO 0.00 0.58 -0.04 0.11 0.09 0.00 0.00 178.44 179.17 2ka0 h LYS 109 N 0.00 0.00 -0.88 1.13 1.57 -1.52 -3.02 116.57 113.85 2ka0 h LYS 109 Ca -0.05 0.00 -0.42 0.00 -1.87 0.00 0.00 60.65 58.31 2ka0 h LYS 109 Cb 1.48 0.00 -0.25 0.00 0.08 0.00 0.00 32.23 33.54 2ka0 h LYS 109 CO 0.07 0.04 0.50 0.36 -0.57 0.00 0.00 179.45 179.85 2ka0 n LYS 110 N -3.15 2.48 -4.02 3.15 2.85 -1.25 -4.93 118.16 113.29 2ka0 n LYS 110 Ca 0.01 -3.04 -0.23 0.00 -1.05 0.00 0.00 58.31 53.99 2ka0 n LYS 110 Cb 0.34 -2.15 -0.06 0.00 -0.65 0.00 0.00 35.03 32.52 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 -3.24 2.91 0.00 0.58 -1.09 -1.14 -4.82 121.20 114.41 2ka0 s ILE 111 Ca 0.55 -1.62 0.00 0.00 -2.23 0.00 0.00 60.65 57.35 2ka0 s ILE 111 Cb 0.46 -3.00 0.00 0.00 -1.58 0.00 0.00 42.46 38.34 2ka0 s ILE 111 CO 0.10 -0.13 0.00 0.29 -1.23 0.00 0.00 174.94 173.97 2ka0 n LYS 112 N -1.23 1.33 0.00 2.79 4.76 -1.26 -5.04 118.16 119.51 2ka0 n LYS 112 Ca -0.02 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.42 2ka0 n LYS 112 Cb 0.62 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.81 2ka0 n LYS 112 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2ka0 n ASP 113 N -1.64 0.17 0.00 4.39 2.03 -1.25 -4.44 116.55 115.80 2ka0 n ASP 113 Ca 0.00 -1.84 0.00 0.00 0.52 0.00 0.00 54.79 53.47 2ka0 n ASP 113 Cb 0.00 -0.09 0.00 0.00 -0.72 0.00 0.00 41.12 40.31 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 0.35 -1.95 2.45 0.27 0.00 -1.14 -4.19 105.19 100.98 2ka0 n GLY 114 Ca 0.00 0.92 -0.11 0.00 0.00 0.00 0.00 46.02 46.83 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 2.62 -3.05 1.61 -0.58 -1.26 -4.93 120.64 115.05 2ka0 n GLU 115 Ca 0.00 -3.82 -0.01 0.00 -0.42 0.00 0.00 57.16 52.91 2ka0 n GLU 115 Cb 0.00 -1.92 -0.00 0.00 -0.57 0.00 0.00 31.44 28.94 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 -0.65 -1.41 -2.68 3.49 5.02 -1.26 -0.99 118.16 119.68 2ka0 n LYS 116 Ca 0.25 1.41 -0.43 0.00 -2.02 0.00 0.00 58.31 57.52 2ka0 n LYS 116 Cb 0.88 -1.72 -0.03 0.00 -0.02 0.00 0.00 35.03 34.14 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 -0.62 4.35 -0.55 -0.18 0.11 -1.26 -3.63 120.40 118.61 2ka0 s VAL 117 Ca -0.03 1.14 -0.18 0.00 -2.93 0.00 0.00 61.98 59.98 2ka0 s VAL 117 Cb 0.00 -4.51 0.10 0.00 -1.53 0.00 0.00 36.38 30.43 2ka0 s VAL 117 CO 0.15 -0.86 0.62 0.00 -3.33 0.00 0.00 175.10 171.68 2ka0 s ALA 118 N 4.09 3.46 -0.13 1.54 0.00 0.66 -3.21 121.76 128.17 2ka0 s ALA 118 Ca 0.44 -2.17 -0.24 0.00 0.00 0.00 0.00 51.96 49.99 2ka0 s ALA 118 Cb -0.09 -3.40 -0.03 0.00 0.00 0.00 0.00 23.12 19.61 2ka0 s ALA 118 CO 0.27 -2.16 0.74 0.08 0.00 0.00 0.00 175.76 174.70 2ka0 s VAL 119 N 2.38 4.97 0.27 0.00 1.01 0.69 -1.74 120.40 127.98 2ka0 s VAL 119 Ca 0.10 1.47 0.02 0.00 0.00 0.00 0.00 61.98 63.57 2ka0 s VAL 119 Cb -0.24 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.03 2ka0 s VAL 119 CO 0.07 0.13 0.13 -0.13 0.00 0.00 0.00 175.10 175.30 2ka0 s ARG 120 N 1.56 1.47 0.06 2.72 0.52 -0.03 -2.30 118.95 122.95 2ka0 s ARG 120 Ca 0.36 -1.81 0.19 0.00 -0.52 0.00 0.00 55.73 53.95 2ka0 s ARG 120 Cb -0.17 -0.10 0.80 0.00 0.52 0.00 0.00 34.95 36.00 2ka0 s ARG 120 CO 0.14 -0.38 1.61 1.19 0.02 0.00 0.00 175.30 177.88 2ka0 n PHE 121 N -0.49 0.20 -3.45 -0.53 3.72 -1.26 -0.53 117.46 115.11 2ka0 n PHE 121 Ca 0.01 0.07 -0.22 0.00 -0.05 0.00 0.00 57.45 57.26 2ka0 n PHE 121 Cb 0.66 -0.62 0.06 0.00 -0.94 0.00 0.00 39.48 38.64 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 -1.56 -2.46 -0.58 4.37 0.00 -1.26 -3.18 120.51 115.83 2ka0 n ALA 122 Ca 0.04 -0.03 -0.08 0.00 0.00 0.00 0.00 53.44 53.37 2ka0 n ALA 122 Cb 0.22 -4.76 -0.09 0.00 0.00 0.00 0.00 19.45 14.82 2ka0 n ALA 122 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2ka0 n SER 123 N -3.00 3.08 0.00 0.00 7.64 -1.26 -4.79 113.62 115.28 2ka0 n SER 123 Ca -0.10 -2.07 0.00 0.00 1.01 0.00 0.00 58.87 57.71 2ka0 n SER 123 Cb 0.62 -0.82 0.00 0.00 -1.01 0.00 0.00 64.21 63.00 2ka0 n SER 123 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83