#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ka0 s ARG 2 N 0.00 1.82 -0.20 2.12 1.81 -1.26 -1.93 118.95 121.31 2ka0 s ARG 2 Ca 0.00 1.54 -0.19 0.00 -1.72 0.00 0.00 55.73 55.36 2ka0 s ARG 2 Cb 0.00 -1.82 0.05 0.00 -0.45 0.00 0.00 34.95 32.74 2ka0 s ARG 2 CO 0.00 -2.03 0.55 0.08 -0.68 0.00 0.00 175.30 173.21 2ka0 s VAL 3 N -2.43 0.00 -0.18 3.52 1.01 -0.55 -4.43 120.40 117.34 2ka0 s VAL 3 Ca 0.68 -0.01 0.01 0.00 0.00 0.00 0.00 61.98 62.66 2ka0 s VAL 3 Cb -0.24 -0.77 0.03 0.00 0.00 0.00 0.00 36.38 35.40 2ka0 s VAL 3 CO 0.51 -0.01 -0.14 -0.70 0.00 0.00 0.00 175.10 174.77 2ka0 s GLU 4 N 0.22 2.39 -0.45 2.72 2.12 0.51 -0.83 118.70 125.38 2ka0 s GLU 4 Ca -0.01 -0.75 -0.24 0.00 0.36 0.00 0.00 54.97 54.34 2ka0 s GLU 4 Cb -0.04 -2.35 0.03 0.00 0.26 0.00 0.00 34.13 32.03 2ka0 s GLU 4 CO 0.01 -0.30 0.85 -0.51 -0.54 0.00 0.00 175.26 174.77 2ka0 s LEU 5 N 1.39 4.14 -0.25 2.70 1.02 -0.64 -2.10 118.68 124.94 2ka0 s LEU 5 Ca 0.02 0.02 -0.14 0.00 0.02 0.00 0.00 54.13 54.06 2ka0 s LEU 5 Cb -0.14 -3.07 -0.04 0.00 0.02 0.00 0.00 46.19 42.95 2ka0 s LEU 5 CO -0.10 -0.97 0.31 -0.76 0.02 0.00 0.00 176.35 174.85 2ka0 s LEU 6 N 3.49 4.08 0.42 1.79 1.43 -0.49 -1.40 118.68 128.00 2ka0 s LEU 6 Ca 0.33 0.27 0.07 0.00 -1.03 0.00 0.00 54.13 53.77 2ka0 s LEU 6 Cb -0.11 -2.34 -0.05 0.00 0.03 0.00 0.00 46.19 43.72 2ka0 s LEU 6 CO 0.24 -0.09 0.18 -0.36 0.23 0.00 0.00 176.35 176.55 2ka0 s PHE 7 N 1.64 2.55 -0.15 0.29 0.08 -0.01 -0.43 117.98 121.95 2ka0 s PHE 7 Ca 0.13 -0.61 0.29 0.00 0.12 0.00 0.00 56.93 56.87 2ka0 s PHE 7 Cb -0.15 -1.95 1.19 0.00 -0.57 0.00 0.00 43.02 41.54 2ka0 s PHE 7 CO 0.09 0.17 1.87 0.93 -0.10 0.00 0.00 175.22 178.18 2ka0 h GLU 8 N 1.41 0.00 -0.01 0.44 4.39 -1.59 -3.22 114.58 116.00 2ka0 h GLU 8 Ca -0.43 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.27 2ka0 h GLU 8 Cb 1.26 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.91 2ka0 h GLU 8 CO 0.70 0.00 -0.02 0.43 -1.16 0.00 0.00 179.01 178.96 2ka0 n SER 9 N -2.74 1.56 0.00 1.42 7.64 -1.26 -5.10 113.62 115.14 2ka0 n SER 9 Ca 0.01 -1.28 0.00 0.00 1.01 0.00 0.00 58.87 58.62 2ka0 n SER 9 Cb 0.28 0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.54 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 0.47 -0.56 3.68 0.23 0.00 -1.22 -4.91 105.19 102.87 2ka0 n GLY 10 Ca 0.04 -0.76 -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 -0.98 1.58 0.35 1.61 -2.85 -1.26 -0.83 119.74 117.35 2ka0 s LYS 11 Ca 0.00 -0.87 0.02 0.00 -1.00 0.00 0.00 55.97 54.13 2ka0 s LYS 11 Cb 0.00 0.58 -0.01 0.00 -2.06 0.00 0.00 37.83 36.34 2ka0 s LYS 11 CO 0.00 -0.70 0.39 0.00 0.10 0.00 0.00 175.35 175.14 2ka0 s VAL 13 N -3.16 1.20 0.14 0.00 1.01 -0.79 -1.62 120.40 117.18 2ka0 s VAL 13 Ca 0.35 -0.48 0.05 0.00 0.00 0.00 0.00 61.98 61.91 2ka0 s VAL 13 Cb 0.01 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 2ka0 s VAL 13 CO 0.24 0.38 0.08 0.27 0.00 0.00 0.00 175.10 176.07 2ka0 s ILE 14 N 0.97 4.26 -0.15 2.22 -4.36 -0.01 -2.11 121.20 122.02 2ka0 s ILE 14 Ca -0.08 -1.09 0.01 0.00 -0.26 0.00 0.00 60.65 59.22 2ka0 s ILE 14 Cb -0.15 -3.13 -0.00 0.00 1.25 0.00 0.00 42.46 40.43 2ka0 s ILE 14 CO -0.00 -0.04 -0.16 -0.62 0.24 0.00 0.00 174.94 174.36 2ka0 s ASP 15 N -2.84 3.63 -0.06 4.36 2.15 -0.06 -1.49 116.67 122.37 2ka0 s ASP 15 Ca 0.29 -0.46 0.04 0.00 0.43 0.00 0.00 52.55 52.84 2ka0 s ASP 15 Cb -0.10 -1.55 0.00 0.00 -0.30 0.00 0.00 42.92 40.97 2ka0 s ASP 15 CO 0.21 0.10 -0.16 -0.76 -0.17 0.00 0.00 175.17 174.39 2ka0 s LEU 16 N 0.71 1.85 0.19 -1.34 1.43 -0.81 -1.14 118.68 119.57 2ka0 s LEU 16 Ca -0.07 -0.35 -0.30 0.00 -1.03 0.00 0.00 54.13 52.37 2ka0 s LEU 16 Cb -0.16 -0.96 -0.08 0.00 0.03 0.00 0.00 46.19 45.03 2ka0 s LEU 16 CO 0.01 0.12 0.98 0.21 0.23 0.00 0.00 176.35 177.91 2ka0 s ASN 17 N 0.26 7.51 0.50 2.29 2.47 -1.21 -0.58 114.94 126.17 2ka0 s ASN 17 Ca -0.09 1.94 0.32 0.00 0.42 0.00 0.00 52.86 55.45 2ka0 s ASN 17 Cb -0.13 -2.60 1.30 0.00 -1.45 0.00 0.00 41.25 38.36 2ka0 s ASN 17 CO 0.03 -0.00 1.93 -0.33 -3.72 0.00 0.00 177.10 175.01 2ka0 h GLU 18 N 4.78 0.00 0.00 0.43 5.08 -1.94 -3.31 114.58 119.62 2ka0 h GLU 18 Ca -0.44 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 2ka0 h GLU 18 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2ka0 h GLU 18 CO 0.70 0.00 0.00 0.93 -1.00 0.00 0.00 179.01 179.64 2ka0 h GLU 19 N 0.00 0.00 -5.60 2.33 4.39 -1.99 -3.40 114.58 110.31 2ka0 h GLU 19 Ca 0.00 0.00 -0.59 0.00 0.34 0.00 0.00 59.36 59.11 2ka0 h GLU 19 Cb 0.48 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 29.04 2ka0 h GLU 19 CO 0.00 0.00 -0.12 0.71 -1.16 0.00 0.00 179.01 178.44 2ka0 s TYR 20 N -4.06 3.43 0.18 4.33 2.02 -1.25 -5.00 117.35 117.01 2ka0 s TYR 20 Ca -0.04 0.79 -0.22 0.00 -0.37 0.00 0.00 57.07 57.22 2ka0 s TYR 20 Cb 0.12 -2.59 0.09 0.00 -0.40 0.00 0.00 41.96 39.19 2ka0 s TYR 20 CO 0.40 0.04 1.58 1.49 -1.57 0.00 0.00 175.55 177.49 2ka0 h GLU 21 N 7.11 -0.19 -0.65 -0.62 4.57 -1.94 0.39 114.58 123.25 2ka0 h GLU 21 Ca -0.37 0.01 0.14 0.00 -1.18 0.00 0.00 59.36 57.96 2ka0 h GLU 21 Cb 1.17 0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 29.76 2ka0 h GLU 21 CO 0.74 -0.12 0.44 -0.24 -1.18 0.00 0.00 179.01 178.65 2ka0 h VAL 22 N -0.19 0.81 -0.36 0.32 3.04 -1.94 -0.04 116.25 117.88 2ka0 h VAL 22 Ca 0.21 -0.10 -0.15 0.00 -1.01 0.00 0.00 66.70 65.65 2ka0 h VAL 22 Cb 0.55 0.48 -0.01 0.00 -2.01 0.00 0.00 31.29 30.30 2ka0 h VAL 22 CO -0.66 0.06 -0.36 0.58 -1.01 0.00 0.00 177.57 176.17 2ka0 h VAL 23 N 0.30 1.28 -0.58 1.51 2.07 -1.25 0.86 116.25 120.44 2ka0 h VAL 23 Ca 0.31 -1.53 -0.04 0.00 0.82 0.00 0.00 66.70 66.27 2ka0 h VAL 23 Cb 0.81 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.94 2ka0 h VAL 23 CO -0.08 0.51 0.22 0.11 0.02 0.00 0.00 177.57 178.35 2ka0 h LYS 24 N 0.70 0.87 -0.36 1.57 1.57 -0.87 -2.72 116.57 117.33 2ka0 h LYS 24 Ca 0.06 -0.17 -0.06 0.00 -1.87 0.00 0.00 60.65 58.62 2ka0 h LYS 24 Cb 0.93 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.09 2ka0 h LYS 24 CO 0.09 0.76 -0.01 -0.07 -0.57 0.00 0.00 179.45 179.64 2ka0 h LEU 25 N 0.80 0.64 -2.03 2.94 -0.00 -0.84 -2.26 115.31 114.56 2ka0 h LEU 25 Ca 0.19 -0.32 0.13 0.00 -0.00 0.00 0.00 57.88 57.89 2ka0 h LEU 25 Cb 0.22 -0.17 -0.02 0.00 -0.00 0.00 0.00 40.66 40.69 2ka0 h LEU 25 CO -0.01 0.80 0.39 -0.07 -0.00 0.00 0.00 178.44 179.55 2ka0 h LEU 26 N 0.46 0.00 -1.67 1.67 3.38 -0.76 -1.87 115.31 116.52 2ka0 h LEU 26 Ca 0.10 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 2ka0 h LEU 26 Cb 0.48 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 2ka0 h LEU 26 CO 0.02 0.00 -0.19 0.50 0.09 0.00 0.00 178.44 178.86 2ka0 h LYS 27 N 0.00 0.00 0.00 1.13 3.64 -1.08 0.12 116.57 120.38 2ka0 h LYS 27 Ca 0.22 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.59 2ka0 h LYS 27 Cb 0.99 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.81 2ka0 h LYS 27 CO -0.00 0.19 -0.03 0.93 -2.27 0.00 0.00 179.45 178.27 2ka0 h GLU 28 N 0.00 0.00 -0.05 1.90 4.39 -1.47 -3.27 114.58 116.08 2ka0 h GLU 28 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2ka0 h GLU 28 Cb 0.41 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 2ka0 h GLU 28 CO 0.02 0.03 0.00 1.63 -1.16 0.00 0.00 179.01 179.53 2ka0 n LYS 29 N -3.14 1.82 -5.22 2.33 4.76 0.36 -4.98 118.16 114.09 2ka0 n LYS 29 Ca 0.00 -2.46 -0.30 0.00 -2.87 0.00 0.00 58.31 52.69 2ka0 n LYS 29 Cb 0.31 -1.48 -0.16 0.00 -1.84 0.00 0.00 35.03 31.86 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 -2.56 1.92 0.74 -0.18 1.01 -0.86 -3.52 121.20 117.76 2ka0 s ILE 30 Ca 0.29 -1.04 -0.13 0.00 0.00 0.00 0.00 60.65 59.77 2ka0 s ILE 30 Cb 0.25 -1.59 0.05 0.00 0.01 0.00 0.00 42.46 41.17 2ka0 s ILE 30 CO 0.04 0.54 1.13 -2.16 0.00 0.00 0.00 174.94 174.49 2ka0 s PRO 31 N -0.57 2.24 0.15 2.79 0.04 -1.26 -4.99 135.00 133.40 2ka0 s PRO 31 Ca 0.09 1.43 -0.05 0.00 0.04 0.00 0.00 61.00 62.51 2ka0 s PRO 31 Cb -0.09 -1.88 -0.02 0.00 0.04 0.00 0.00 34.50 32.54 2ka0 s PRO 31 CO -0.01 -1.69 0.17 -0.59 0.04 0.00 0.00 177.00 174.92 2ka0 s PHE 32 N -2.47 0.63 0.16 0.56 -0.71 -1.00 -5.01 117.98 110.13 2ka0 s PHE 32 Ca 0.67 -1.00 0.08 0.00 -1.04 0.00 0.00 56.93 55.64 2ka0 s PHE 32 Cb -0.22 -0.27 -0.04 0.00 -1.21 0.00 0.00 43.02 41.28 2ka0 s PHE 32 CO 0.49 -0.61 -0.17 -1.21 -1.34 0.00 0.00 175.22 172.37 2ka0 s GLU 33 N -4.01 1.23 0.19 1.99 8.01 -1.26 -0.31 118.70 124.55 2ka0 s GLU 33 Ca 0.20 -1.38 -0.23 0.00 0.01 0.00 0.00 54.97 53.57 2ka0 s GLU 33 Cb 0.05 -1.24 0.05 0.00 -4.31 0.00 0.00 34.13 28.69 2ka0 s GLU 33 CO 0.01 0.25 0.75 0.45 0.01 0.00 0.00 175.26 176.73 2ka0 s SER 34 N -2.65 -0.34 0.00 -0.19 0.15 -1.11 -5.01 113.70 104.55 2ka0 s SER 34 Ca 0.15 -0.34 -0.30 0.00 0.70 0.00 0.00 55.95 56.15 2ka0 s SER 34 Cb -0.05 0.61 -0.04 0.00 -1.71 0.00 0.00 66.02 64.83 2ka0 s SER 34 CO 0.06 -1.09 1.17 -0.69 1.20 0.00 0.00 173.24 173.89 2ka0 s VAL 35 N -3.67 4.25 -0.78 4.45 1.01 -1.26 -2.44 120.40 121.96 2ka0 s VAL 35 Ca 0.08 1.60 -0.26 0.00 0.00 0.00 0.00 61.98 63.40 2ka0 s VAL 35 Cb -0.03 -4.03 0.04 0.00 0.00 0.00 0.00 36.38 32.36 2ka0 s VAL 35 CO -0.01 0.07 1.29 -0.69 0.00 0.00 0.00 175.10 175.76 2ka0 s VAL 36 N 1.54 3.78 0.34 2.92 1.01 -1.26 -4.20 120.40 124.53 2ka0 s VAL 36 Ca 0.56 0.20 -0.05 0.00 0.00 0.00 0.00 61.98 62.70 2ka0 s VAL 36 Cb -0.26 -4.93 -0.05 0.00 0.00 0.00 0.00 36.38 31.14 2ka0 s VAL 36 CO 0.26 -1.85 0.62 0.20 0.00 0.00 0.00 175.10 174.33 2ka0 s ASN 37 N 3.91 6.42 0.00 3.32 0.01 -0.49 -1.07 114.94 127.04 2ka0 s ASN 37 Ca 0.36 0.79 -0.07 0.00 -0.71 0.00 0.00 52.86 53.23 2ka0 s ASN 37 Cb -0.07 -2.18 0.00 0.00 0.41 0.00 0.00 41.25 39.41 2ka0 s ASN 37 CO 0.11 -0.30 0.13 0.42 -1.51 0.00 0.00 177.10 175.96 2ka0 s THR 38 N -2.25 0.08 -0.43 1.60 -4.23 -1.26 -0.81 115.64 108.33 2ka0 s THR 38 Ca 0.45 -0.67 0.04 0.00 -1.18 0.00 0.00 61.69 60.34 2ka0 s THR 38 Cb -0.10 -0.41 0.17 0.00 1.34 0.00 0.00 72.50 73.49 2ka0 s THR 38 CO 0.33 -0.37 0.44 0.86 -0.54 0.00 0.00 174.62 175.34 2ka0 s TRP 39 N -1.32 0.12 0.00 3.99 -0.00 -1.20 -4.99 118.94 115.55 2ka0 s TRP 39 Ca -0.14 -1.58 0.00 0.00 -0.00 0.00 0.00 56.10 54.38 2ka0 s TRP 39 Cb -0.07 -0.50 0.00 0.00 -0.00 0.00 0.00 33.47 32.89 2ka0 s TRP 39 CO 0.01 -0.97 0.00 0.41 -0.00 0.00 0.00 176.95 176.40 2ka0 n GLY 40 N 3.16 2.27 2.63 5.86 0.00 -1.26 -3.59 105.19 114.27 2ka0 n GLY 40 Ca 0.23 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 0.00 1.46 -4.20 1.61 1.02 -1.26 -5.01 120.64 114.27 2ka0 n GLU 41 Ca 0.00 -3.09 -0.12 0.00 -0.02 0.00 0.00 57.16 53.94 2ka0 n GLU 41 Cb 0.00 -1.20 -0.10 0.00 -0.02 0.00 0.00 31.44 30.12 2ka0 n GLU 41 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 2ka0 s GLU 42 N -2.94 1.03 -0.08 3.49 -1.05 -1.24 -2.16 118.70 115.75 2ka0 s GLU 42 Ca 0.26 -1.50 -0.00 0.00 -0.15 0.00 0.00 54.97 53.58 2ka0 s GLU 42 Cb 0.34 0.02 0.02 0.00 -0.44 0.00 0.00 34.13 34.07 2ka0 s GLU 42 CO -0.06 -0.21 -0.06 0.42 0.95 0.00 0.00 175.26 176.30 2ka0 s ILE 43 N -3.88 0.77 0.47 1.83 1.01 -1.24 -3.21 121.20 116.96 2ka0 s ILE 43 Ca 0.25 -0.17 0.03 0.00 0.00 0.00 0.00 60.65 60.76 2ka0 s ILE 43 Cb 0.07 -0.81 -0.03 0.00 0.01 0.00 0.00 42.46 41.70 2ka0 s ILE 43 CO 0.03 0.31 0.02 -0.72 0.00 0.00 0.00 174.94 174.58 2ka0 s TYR 44 N 1.49 2.00 0.16 3.97 1.13 0.01 -2.40 117.35 123.70 2ka0 s TYR 44 Ca -0.01 -0.93 -0.20 0.00 -1.41 0.00 0.00 57.07 54.53 2ka0 s TYR 44 Cb -0.13 -1.60 0.05 0.00 -1.10 0.00 0.00 41.96 39.18 2ka0 s TYR 44 CO -0.04 0.22 0.53 -0.59 -2.51 0.00 0.00 175.55 173.16 2ka0 s PHE 45 N -2.89 -0.36 -1.01 -3.49 -0.71 -1.26 -1.39 117.98 106.87 2ka0 s PHE 45 Ca 0.14 0.09 -0.14 0.00 -1.04 0.00 0.00 56.93 55.98 2ka0 s PHE 45 Cb 0.04 0.45 0.20 0.00 -1.21 0.00 0.00 43.02 42.49 2ka0 s PHE 45 CO 0.08 -0.83 1.11 -1.54 -1.34 0.00 0.00 175.22 172.69 2ka0 s SER 46 N -2.79 6.93 0.65 1.98 1.04 -1.26 -2.40 113.70 117.85 2ka0 s SER 46 Ca 0.03 -2.79 -0.18 0.00 0.48 0.00 0.00 55.95 53.49 2ka0 s SER 46 Cb -0.00 -2.31 -0.01 0.00 0.10 0.00 0.00 66.02 63.79 2ka0 s SER 46 CO -0.10 -0.69 1.23 0.35 0.98 0.00 0.00 173.24 175.02 2ka0 n THR 47 N 4.26 4.68 0.24 2.02 -2.24 -1.26 -4.89 114.28 117.10 2ka0 n THR 47 Ca 0.24 -0.49 0.11 0.00 -2.27 0.00 0.00 64.05 61.64 2ka0 n THR 47 Cb 0.45 -1.42 0.61 0.00 -2.10 0.00 0.00 70.33 67.87 2ka0 n THR 47 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2ka0 h PRO 48 N 0.46 0.00 -6.42 -0.78 0.13 -1.94 -3.42 132.00 120.02 2ka0 h PRO 48 Ca -0.50 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.08 2ka0 h PRO 48 Cb 1.34 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.44 2ka0 h PRO 48 CO 0.52 0.18 0.02 0.54 -0.23 0.00 0.00 178.00 179.03 2ka0 s VAL 49 N -4.05 4.69 -0.28 1.56 0.11 -1.26 -5.07 120.40 116.10 2ka0 s VAL 49 Ca -0.02 1.12 -0.04 0.00 -2.93 0.00 0.00 61.98 60.11 2ka0 s VAL 49 Cb 0.12 -3.83 0.10 0.00 -1.53 0.00 0.00 36.38 31.24 2ka0 s VAL 49 CO 0.61 0.29 0.12 0.21 -3.33 0.00 0.00 175.10 173.00 2ka0 s ASN 50 N -1.57 3.48 0.28 3.54 2.47 -1.26 -4.95 114.94 116.92 2ka0 s ASN 50 Ca 0.39 -1.26 0.11 0.00 0.42 0.00 0.00 52.86 52.52 2ka0 s ASN 50 Cb -0.17 -0.41 -0.05 0.00 -1.45 0.00 0.00 41.25 39.17 2ka0 s ASN 50 CO 0.20 -0.43 -0.16 0.68 -3.72 0.00 0.00 177.10 173.67 2ka0 s VAL 51 N 2.04 2.64 0.00 -5.21 -7.23 -1.26 -5.07 120.40 106.30 2ka0 s VAL 51 Ca 0.08 -2.32 0.00 0.00 -1.81 0.00 0.00 61.98 57.93 2ka0 s VAL 51 Cb -0.16 -2.40 0.00 0.00 0.56 0.00 0.00 36.38 34.37 2ka0 s VAL 51 CO -0.32 -0.39 0.55 0.00 -0.31 0.00 0.00 175.10 174.63 2ka0 n GLN 52 N -0.67 0.05 -1.59 4.82 6.02 -1.26 -4.76 117.38 119.99 2ka0 n GLN 52 Ca -0.05 -0.66 -0.32 0.00 -0.01 0.00 0.00 57.00 55.96 2ka0 n GLN 52 Cb 0.60 -0.92 0.06 0.00 1.02 0.00 0.00 30.24 31.00 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 -0.22 2.74 0.08 -1.09 2.20 -1.26 -5.05 119.74 117.13 2ka0 s LYS 53 Ca 0.00 1.17 -0.10 0.00 -0.36 0.00 0.00 55.97 56.68 2ka0 s LYS 53 Cb 0.00 -1.96 0.00 0.00 -1.51 0.00 0.00 37.83 34.37 2ka0 s LYS 53 CO 0.00 -1.27 0.21 -1.64 -0.36 0.00 0.00 175.35 172.30 2ka0 s MET 54 N -4.62 0.82 0.03 4.03 -1.94 -1.26 -4.99 119.30 111.37 2ka0 s MET 54 Ca 0.62 -0.83 0.00 0.00 -1.71 0.00 0.00 55.69 53.77 2ka0 s MET 54 Cb -0.17 0.34 0.00 0.00 2.01 0.00 0.00 34.83 37.01 2ka0 s MET 54 CO 0.49 -0.26 0.00 0.39 -0.01 0.00 0.00 175.02 175.63 2ka0 n GLU 55 N 0.15 0.00 -2.72 2.03 -0.58 -1.26 -4.90 120.64 113.36 2ka0 n GLU 55 Ca -0.16 0.00 -0.24 0.00 -0.42 0.00 0.00 57.16 56.33 2ka0 n GLU 55 Cb 0.61 -0.33 -0.01 0.00 -0.57 0.00 0.00 31.44 31.14 2ka0 n GLU 55 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 2ka0 n ASN 56 N -2.95 3.95 -4.74 1.62 6.94 -1.26 -5.08 115.26 113.74 2ka0 n ASN 56 Ca 0.00 -3.54 -0.41 0.00 -0.02 0.00 0.00 54.58 50.61 2ka0 n ASN 56 Cb 0.28 -0.52 -0.03 0.00 -2.36 0.00 0.00 39.78 37.15 2ka0 n ASN 56 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 2ka0 s PRO 57 N -3.38 4.39 0.07 -0.53 0.04 -1.26 -2.32 135.00 132.02 2ka0 s PRO 57 Ca 0.45 2.04 0.06 0.00 0.04 0.00 0.00 61.00 63.60 2ka0 s PRO 57 Cb 0.36 -3.20 -0.03 0.00 0.04 0.00 0.00 34.50 31.67 2ka0 s PRO 57 CO -0.14 -0.25 -0.17 1.03 0.04 0.00 0.00 177.00 177.51 2ka0 s ARG 58 N -0.11 1.01 0.00 4.56 0.52 -0.40 -4.76 118.95 119.78 2ka0 s ARG 58 Ca 0.57 -0.99 0.20 0.00 -0.52 0.00 0.00 55.73 54.99 2ka0 s ARG 58 Cb -0.36 -1.12 0.59 0.00 0.52 0.00 0.00 34.95 34.57 2ka0 s ARG 58 CO 0.38 0.26 1.46 0.39 0.02 0.00 0.00 175.30 177.82 2ka0 n GLU 59 N 1.39 2.01 -3.79 3.54 1.02 -1.26 -1.75 120.64 121.80 2ka0 n GLU 59 Ca -0.20 -1.53 -0.12 0.00 -0.02 0.00 0.00 57.16 55.30 2ka0 n GLU 59 Cb 0.54 -1.42 -0.08 0.00 -0.02 0.00 0.00 31.44 30.46 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 -1.63 0.09 0.31 2.62 1.01 -1.26 -4.08 120.40 117.46 2ka0 s VAL 60 Ca 0.33 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.62 2ka0 s VAL 60 Cb 0.18 -0.82 -0.00 0.00 0.00 0.00 0.00 36.38 35.74 2ka0 s VAL 60 CO 0.26 -0.39 0.39 1.33 0.00 0.00 0.00 175.10 176.70 2ka0 n VAL 61 N 0.83 0.00 -4.53 2.92 0.24 -1.20 -4.92 118.33 111.66 2ka0 n VAL 61 Ca -0.20 -1.78 -0.28 0.00 -2.04 0.00 0.00 64.34 60.04 2ka0 n VAL 61 Cb 0.58 1.02 -0.09 0.00 -1.47 0.00 0.00 33.84 33.88 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 -2.86 2.07 -0.92 7.34 2.02 -1.26 -4.55 118.70 120.54 2ka0 s GLU 62 Ca 0.29 -2.12 -0.21 0.00 0.02 0.00 0.00 54.97 52.95 2ka0 s GLU 62 Cb -0.00 -1.70 -0.12 0.00 0.10 0.00 0.00 34.13 32.41 2ka0 s GLU 62 CO 0.21 -0.15 1.97 -0.89 0.02 0.00 0.00 175.26 176.41 2ka0 n ILE 63 N -1.11 2.13 0.00 -1.63 5.41 -1.26 -2.31 119.36 120.58 2ka0 n ILE 63 Ca -0.07 -1.90 0.00 0.00 1.00 0.00 0.00 62.75 61.78 2ka0 n ILE 63 Cb 0.66 -2.35 0.00 0.00 -0.71 0.00 0.00 39.64 37.24 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 4.59 -0.51 3.08 7.39 0.00 -0.96 -4.94 105.19 113.84 2ka0 n GLY 64 Ca 0.50 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.33 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 2.05 -4.13 1.61 8.00 -0.98 -1.17 116.55 121.94 2ka0 n ASP 65 Ca 0.00 -2.37 -0.18 0.00 0.71 0.00 0.00 54.79 52.95 2ka0 n ASP 65 Cb 0.00 -0.18 -0.12 0.00 -0.02 0.00 0.00 41.12 40.80 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 -2.03 0.98 0.05 2.53 1.01 -0.93 -3.61 120.40 118.41 2ka0 s VAL 66 Ca 0.36 -1.13 0.03 0.00 0.00 0.00 0.00 61.98 61.24 2ka0 s VAL 66 Cb -0.03 -0.94 -0.03 0.00 0.00 0.00 0.00 36.38 35.38 2ka0 s VAL 66 CO 0.23 -0.17 -0.10 -0.83 0.00 0.00 0.00 175.10 174.23 2ka0 s GLY 67 N -1.47 0.63 -0.17 4.51 0.00 -1.15 -4.02 107.32 105.64 2ka0 s GLY 67 Ca -0.02 -0.84 0.01 0.00 0.00 0.00 0.00 44.72 43.86 2ka0 s GLY 67 CO 0.02 -0.89 -0.20 -0.19 0.00 0.00 0.00 173.10 171.84 2ka0 s TYR 68 N -1.33 2.74 -0.81 1.90 1.51 -1.21 -1.17 117.35 118.98 2ka0 s TYR 68 Ca -0.07 -1.60 -0.09 0.00 -1.01 0.00 0.00 57.07 54.31 2ka0 s TYR 68 Cb -0.10 -1.89 0.21 0.00 -0.11 0.00 0.00 41.96 40.07 2ka0 s TYR 68 CO 0.01 -0.78 0.71 -0.46 -1.11 0.00 0.00 175.55 173.91 2ka0 s TRP 69 N 1.25 3.72 0.18 2.71 -0.00 -0.09 -3.49 118.94 123.23 2ka0 s TRP 69 Ca 0.04 -2.41 -0.19 0.00 -0.00 0.00 0.00 56.10 53.54 2ka0 s TRP 69 Cb -0.13 -3.56 0.12 0.00 -0.00 0.00 0.00 33.47 29.89 2ka0 s TRP 69 CO -0.12 -0.91 1.62 -1.35 -0.00 0.00 0.00 176.95 176.20 2ka0 h PRO 70 N 7.22 -0.12 0.00 5.86 0.11 -1.86 -2.33 132.00 140.88 2ka0 h PRO 70 Ca 0.08 0.01 -0.14 0.00 0.11 0.00 0.00 66.00 66.06 2ka0 h PRO 70 Cb 0.97 0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.09 2ka0 h PRO 70 CO 0.78 -0.08 -0.67 -1.00 -0.21 0.00 0.00 178.00 176.81 2ka0 h PRO 71 N -0.12 0.00 -0.00 1.05 0.13 -1.94 -1.08 132.00 130.04 2ka0 h PRO 71 Ca 0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.34 2ka0 h PRO 71 Cb 0.46 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.59 2ka0 h PRO 71 CO -0.53 0.67 -0.01 0.41 -0.23 0.00 0.00 178.00 178.31 2ka0 n GLY 72 N 0.71 -1.42 3.60 1.56 0.00 -1.23 -4.95 105.19 103.46 2ka0 n GLY 72 Ca -0.00 -0.12 -0.21 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.43 -1.34 -4.00 1.61 4.01 -0.41 -5.04 118.16 111.57 2ka0 n LYS 73 Ca 0.09 0.86 -0.08 0.00 -0.51 0.00 0.00 58.31 58.67 2ka0 n LYS 73 Cb 0.31 -3.54 -0.10 0.00 -0.51 0.00 0.00 35.03 31.20 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 -3.11 0.20 0.98 7.82 0.00 -0.89 -4.03 121.76 122.74 2ka0 s ALA 74 Ca 0.12 -0.86 -0.09 0.00 0.00 0.00 0.00 51.96 51.12 2ka0 s ALA 74 Cb -0.05 0.28 0.13 0.00 0.00 0.00 0.00 23.12 23.48 2ka0 s ALA 74 CO 0.86 -0.35 0.76 -0.11 0.00 0.00 0.00 175.76 176.92 2ka0 n LEU 75 N 0.47 0.00 -3.51 0.00 -0.00 -1.01 -0.91 117.00 112.05 2ka0 n LEU 75 Ca -0.17 -0.85 -0.12 0.00 -0.00 0.00 0.00 56.01 54.86 2ka0 n LEU 75 Cb 0.60 -0.58 -0.04 0.00 -0.00 0.00 0.00 43.42 43.40 2ka0 n LEU 75 CO 0.25 -1.03 0.58 0.00 -0.00 0.00 0.00 177.39 177.18 2ka0 s LEU 77 N -1.81 2.06 -0.29 0.00 1.43 -1.01 -2.96 118.68 116.12 2ka0 s LEU 77 Ca -0.02 -0.19 0.03 0.00 -1.03 0.00 0.00 54.13 52.92 2ka0 s LEU 77 Cb -0.01 -0.24 0.07 0.00 0.03 0.00 0.00 46.19 46.05 2ka0 s LEU 77 CO -0.02 0.01 -0.05 -0.36 0.23 0.00 0.00 176.35 176.16 2ka0 s PHE 78 N -0.39 3.34 -0.35 0.29 0.08 -1.24 -3.66 117.98 116.06 2ka0 s PHE 78 Ca -0.01 -2.51 0.15 0.00 0.12 0.00 0.00 56.93 54.68 2ka0 s PHE 78 Cb -0.04 -2.24 0.43 0.00 -0.57 0.00 0.00 43.02 40.60 2ka0 s PHE 78 CO -0.00 -0.90 0.92 1.97 -0.10 0.00 0.00 175.22 177.11 2ka0 n PHE 79 N 4.39 1.27 0.00 0.36 -1.74 -0.92 -2.27 117.46 118.57 2ka0 n PHE 79 Ca -0.07 -3.09 0.00 0.00 -0.56 0.00 0.00 57.45 53.73 2ka0 n PHE 79 Cb 0.42 -0.36 0.00 0.00 1.52 0.00 0.00 39.48 41.06 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 -0.04 -1.62 0.00 4.97 0.00 -1.26 -4.90 105.19 102.35 2ka0 n GLY 80 Ca 0.16 0.71 0.00 0.00 0.00 0.00 0.00 46.02 46.89 2ka0 n GLY 80 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2ka0 n LYS 81 N 0.00 3.23 -1.27 1.61 4.81 -1.26 -4.83 118.16 120.44 2ka0 n LYS 81 Ca 0.00 0.00 0.15 0.00 -0.87 0.00 0.00 58.31 57.59 2ka0 n LYS 81 Cb 0.00 -0.39 -0.07 0.00 0.02 0.00 0.00 35.03 34.59 2ka0 n LYS 81 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 2ka0 n THR 82 N -0.31 -0.34 1.26 3.15 -2.24 -1.26 -4.36 114.28 110.18 2ka0 n THR 82 Ca 0.00 0.56 0.05 0.00 -2.27 0.00 0.00 64.05 62.39 2ka0 n THR 82 Cb 0.00 -0.96 0.27 0.00 -2.10 0.00 0.00 70.33 67.55 2ka0 n THR 82 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2ka0 n PRO 83 N -3.97 0.63 -3.64 -0.78 -0.04 -1.26 -4.34 135.00 121.60 2ka0 n PRO 83 Ca -0.05 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.12 2ka0 n PRO 83 Cb 0.61 -1.23 -0.12 0.00 -0.04 0.00 0.00 33.50 32.72 2ka0 n PRO 83 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 2ka0 s MET 84 N -2.00 1.17 0.00 0.54 0.00 -1.26 -5.04 119.30 112.71 2ka0 s MET 84 Ca 0.14 -1.97 0.00 0.00 0.00 0.00 0.00 55.69 53.86 2ka0 s MET 84 Cb 0.06 -2.10 0.00 0.00 0.00 0.00 0.00 34.83 32.79 2ka0 s MET 84 CO 0.11 -1.20 0.00 -1.13 0.00 0.00 0.00 175.02 172.79 2ka0 n SER 85 N 3.47 0.00 0.00 1.11 3.41 -1.26 -3.77 113.62 116.58 2ka0 n SER 85 Ca 0.12 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 2ka0 n SER 85 Cb 0.36 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.31 2ka0 n SER 85 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2ka0 n ASP 86 N 0.00 0.00 -0.02 4.04 -0.08 -1.26 -4.96 116.55 114.27 2ka0 n ASP 86 Ca 0.00 0.00 -0.10 0.00 -1.51 0.00 0.00 54.79 53.18 2ka0 n ASP 86 Cb 0.00 0.13 -0.08 0.00 2.34 0.00 0.00 41.12 43.50 2ka0 n ASP 86 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 2ka0 h ASP 87 N 0.00 -0.06 -5.02 1.67 5.19 -2.01 -3.48 116.42 112.71 2ka0 h ASP 87 Ca 0.00 -0.55 -0.11 0.00 -0.62 0.00 0.00 57.03 55.76 2ka0 h ASP 87 Cb 0.00 0.02 -0.19 0.00 0.18 0.00 0.00 39.33 39.34 2ka0 h ASP 87 CO 0.00 0.65 -0.26 -1.59 -3.12 0.00 0.00 179.24 174.92 2ka0 s LYS 88 N -2.64 0.73 -0.05 3.56 -2.85 -1.26 -5.12 119.74 112.11 2ka0 s LYS 88 Ca -0.13 -0.32 -0.35 0.00 -1.00 0.00 0.00 55.97 54.18 2ka0 s LYS 88 Cb -0.01 0.32 -0.13 0.00 -2.06 0.00 0.00 37.83 35.96 2ka0 s LYS 88 CO 0.48 -0.22 1.80 -0.89 0.10 0.00 0.00 175.35 176.63 2ka0 n ILE 89 N 0.98 0.44 -3.97 3.79 -0.00 -1.26 -4.67 119.36 114.66 2ka0 n ILE 89 Ca -0.20 -0.08 -0.12 0.00 -0.00 0.00 0.00 62.75 62.35 2ka0 n ILE 89 Cb 0.57 -1.74 -0.13 0.00 -0.00 0.00 0.00 39.64 38.34 2ka0 n ILE 89 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2ka0 s GLN 90 N 3.37 0.20 0.78 0.38 -2.07 -1.25 -3.26 119.66 117.82 2ka0 s GLN 90 Ca 0.90 -0.26 -0.10 0.00 -1.82 0.00 0.00 55.36 54.09 2ka0 s GLN 90 Cb -0.72 -0.07 0.09 0.00 -1.09 0.00 0.00 33.01 31.21 2ka0 s GLN 90 CO 0.50 0.01 1.13 -1.25 -1.32 0.00 0.00 175.29 174.36 2ka0 s PRO 91 N -0.53 1.86 0.00 9.60 0.04 -1.26 -4.63 135.00 140.08 2ka0 s PRO 91 Ca -0.05 -0.16 0.14 0.00 0.04 0.00 0.00 61.00 60.97 2ka0 s PRO 91 Cb -0.04 -2.04 0.61 0.00 0.04 0.00 0.00 34.50 33.08 2ka0 s PRO 91 CO -0.00 -1.56 1.43 0.00 0.04 0.00 0.00 177.00 176.90 2ka0 n ALA 92 N -3.20 1.67 -3.52 8.56 0.00 -1.26 -4.78 120.51 117.99 2ka0 n ALA 92 Ca 0.09 -0.05 0.07 0.00 0.00 0.00 0.00 53.44 53.55 2ka0 n ALA 92 Cb 0.61 -1.22 0.01 0.00 0.00 0.00 0.00 19.45 18.84 2ka0 n ALA 92 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2ka0 n SER 93 N -1.46 -0.78 -4.57 0.00 7.64 -1.26 -5.09 113.62 108.10 2ka0 n SER 93 Ca 0.04 -1.30 -0.40 0.00 1.01 0.00 0.00 58.87 58.22 2ka0 n SER 93 Cb 0.15 1.25 -0.03 0.00 -1.01 0.00 0.00 64.21 64.57 2ka0 n SER 93 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ka0 s ALA 94 N -1.55 2.27 -0.10 -0.43 0.00 -1.26 -4.66 121.76 116.04 2ka0 s ALA 94 Ca 0.14 0.21 -0.02 0.00 0.00 0.00 0.00 51.96 52.29 2ka0 s ALA 94 Cb -0.01 -4.20 -0.03 0.00 0.00 0.00 0.00 23.12 18.88 2ka0 s ALA 94 CO 0.01 -3.53 0.00 0.14 0.00 0.00 0.00 175.76 172.39 2ka0 s VAL 95 N 9.59 4.32 -0.39 0.00 -7.23 -0.71 -4.59 120.40 121.39 2ka0 s VAL 95 Ca 0.91 -0.24 -0.28 0.00 -1.81 0.00 0.00 61.98 60.57 2ka0 s VAL 95 Cb -0.22 -2.83 -0.03 0.00 0.56 0.00 0.00 36.38 33.86 2ka0 s VAL 95 CO 0.29 0.59 1.95 0.21 -0.31 0.00 0.00 175.10 177.83 2ka0 s ASN 96 N -0.74 5.53 -1.43 4.85 2.47 -1.23 -1.27 114.94 123.11 2ka0 s ASN 96 Ca 0.12 1.17 -0.08 0.00 0.42 0.00 0.00 52.86 54.49 2ka0 s ASN 96 Cb -0.12 -2.52 0.05 0.00 -1.45 0.00 0.00 41.25 37.21 2ka0 s ASN 96 CO 0.02 -2.02 2.54 0.52 -3.72 0.00 0.00 177.10 174.44 2ka0 n VAL 97 N 7.50 4.79 0.67 -5.21 0.31 -0.98 -3.32 118.33 122.08 2ka0 n VAL 97 Ca 0.25 -3.67 0.12 0.00 -0.01 0.00 0.00 64.34 61.03 2ka0 n VAL 97 Cb 0.48 -2.31 0.28 0.00 -0.91 0.00 0.00 33.84 31.39 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 2.63 0.34 -4.45 2.52 -5.35 -1.26 -4.90 119.36 108.89 2ka0 n ILE 98 Ca 0.66 -0.22 -0.22 0.00 -0.27 0.00 0.00 62.75 62.70 2ka0 n ILE 98 Cb 0.26 -0.23 -0.10 0.00 -1.74 0.00 0.00 39.64 37.82 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 -3.50 1.90 -0.02 3.28 0.00 -1.26 -3.33 107.32 104.39 2ka0 s GLY 99 Ca 0.09 -1.94 0.04 0.00 0.00 0.00 0.00 44.72 42.91 2ka0 s GLY 99 CO 0.67 -1.89 -0.14 1.25 0.00 0.00 0.00 173.10 173.00 2ka0 s LYS 100 N -3.69 1.26 -0.98 2.90 2.47 -0.29 -2.18 119.74 119.24 2ka0 s LYS 100 Ca 0.30 -0.48 -0.24 0.00 -1.56 0.00 0.00 55.97 53.99 2ka0 s LYS 100 Cb 0.03 -1.17 0.03 0.00 -1.46 0.00 0.00 37.83 35.26 2ka0 s LYS 100 CO 0.13 0.24 1.55 0.42 0.16 0.00 0.00 175.35 177.85 2ka0 s ILE 101 N -0.10 3.80 0.24 5.43 1.01 -0.31 -0.88 121.20 130.39 2ka0 s ILE 101 Ca 0.01 -0.61 0.09 0.00 0.00 0.00 0.00 60.65 60.14 2ka0 s ILE 101 Cb -0.08 -4.82 -0.06 0.00 0.01 0.00 0.00 42.46 37.52 2ka0 s ILE 101 CO 0.00 -1.71 1.55 -0.37 0.00 0.00 0.00 174.94 174.41 2ka0 h VAL 102 N 6.86 1.48 -3.74 2.92 -1.51 -1.68 -3.45 116.25 117.12 2ka0 h VAL 102 Ca 0.15 -2.30 -0.08 0.00 -1.23 0.00 0.00 66.70 63.23 2ka0 h VAL 102 Cb 1.01 2.24 -0.13 0.00 -2.13 0.00 0.00 31.29 32.28 2ka0 h VAL 102 CO 1.37 0.66 -0.27 -1.61 -1.23 0.00 0.00 177.57 176.50 2ka0 s GLU 103 N -3.49 1.06 -0.58 5.19 2.02 -0.97 -4.96 118.70 116.98 2ka0 s GLU 103 Ca -0.01 -1.01 0.00 0.00 0.02 0.00 0.00 54.97 53.97 2ka0 s GLU 103 Cb 0.12 0.39 0.00 0.00 0.10 0.00 0.00 34.13 34.74 2ka0 s GLU 103 CO 0.78 -0.39 0.00 0.41 0.02 0.00 0.00 175.26 176.08 2ka0 n GLY 104 N -0.18 0.44 0.28 -1.39 0.00 -1.26 -1.89 105.19 101.20 2ka0 n GLY 104 Ca -0.11 -0.70 -0.15 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 0.00 -0.63 -0.84 0.99 7.12 -1.90 -3.11 115.31 116.93 2ka0 h LEU 105 Ca -0.14 0.05 0.00 0.00 0.13 0.00 0.00 57.88 57.92 2ka0 h LEU 105 Cb 0.80 0.20 0.00 0.00 -0.53 0.00 0.00 40.66 41.13 2ka0 h LEU 105 CO 0.18 -0.38 0.00 -0.33 -0.13 0.00 0.00 178.44 177.78 2ka0 h GLU 106 N -0.58 0.00 0.00 1.25 5.08 -1.96 -0.78 114.58 117.59 2ka0 h GLU 106 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2ka0 h GLU 106 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 2ka0 h GLU 106 CO 0.00 0.00 0.00 -0.25 -1.00 0.00 0.00 179.01 177.76 2ka0 n ASP 107 N -2.83 0.44 0.11 1.42 8.00 -1.18 -3.43 116.55 119.08 2ka0 n ASP 107 Ca 0.02 0.64 -0.03 0.00 0.71 0.00 0.00 54.79 56.13 2ka0 n ASP 107 Cb 0.35 -0.72 0.04 0.00 -0.02 0.00 0.00 41.12 40.77 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 -1.22 0.64 3.38 -1.22 -3.28 115.31 113.61 2ka0 h LEU 108 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2ka0 h LEU 108 Cb 0.23 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 2ka0 h LEU 108 CO 0.00 0.76 0.26 0.11 0.09 0.00 0.00 178.44 179.66 2ka0 h LYS 109 N 0.00 0.80 0.00 1.13 6.56 -1.75 -2.83 116.57 120.48 2ka0 h LYS 109 Ca -0.01 -0.10 0.00 0.00 -1.06 0.00 0.00 60.65 59.48 2ka0 h LYS 109 Cb 1.41 -0.15 0.00 0.00 -0.57 0.00 0.00 32.23 32.92 2ka0 h LYS 109 CO 0.10 0.63 0.00 0.36 -2.06 0.00 0.00 179.45 178.48 2ka0 n LYS 110 N -4.36 0.04 -1.62 3.15 2.85 -1.24 -4.81 118.16 112.18 2ka0 n LYS 110 Ca 0.05 0.36 -0.30 0.00 -1.05 0.00 0.00 58.31 57.36 2ka0 n LYS 110 Cb 0.13 -1.60 0.08 0.00 -0.65 0.00 0.00 35.03 33.00 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 -3.09 3.23 0.47 0.58 -1.09 -1.07 -4.99 121.20 115.23 2ka0 s ILE 111 Ca 0.05 0.40 0.03 0.00 -2.23 0.00 0.00 60.65 58.90 2ka0 s ILE 111 Cb 0.07 -3.19 -0.04 0.00 -1.58 0.00 0.00 42.46 37.72 2ka0 s ILE 111 CO 0.23 -0.52 0.01 -0.54 -1.23 0.00 0.00 174.94 172.89 2ka0 s LYS 112 N -5.19 2.08 0.00 2.79 -0.14 -1.26 -5.04 119.74 112.99 2ka0 s LYS 112 Ca 0.60 -2.28 -0.02 0.00 -1.36 0.00 0.00 55.97 52.91 2ka0 s LYS 112 Cb -0.14 -1.49 -0.10 0.00 -1.68 0.00 0.00 37.83 34.43 2ka0 s LYS 112 CO 0.54 -0.26 2.15 -3.47 -0.76 0.00 0.00 175.35 173.55 2ka0 n ASP 113 N -1.15 4.01 0.00 2.83 2.03 -1.26 -4.23 116.55 118.78 2ka0 n ASP 113 Ca -0.13 -2.15 0.00 0.00 0.52 0.00 0.00 54.79 53.03 2ka0 n ASP 113 Cb 0.67 -0.96 0.00 0.00 -0.72 0.00 0.00 41.12 40.11 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 2.09 -0.25 1.14 0.27 0.00 -0.23 -4.73 105.19 103.47 2ka0 n GLY 114 Ca 0.15 0.29 0.03 0.00 0.00 0.00 0.00 46.02 46.49 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 1.13 -3.03 1.61 1.02 -1.26 -4.92 120.64 115.18 2ka0 n GLU 115 Ca 0.00 -2.88 -0.02 0.00 -0.02 0.00 0.00 57.16 54.24 2ka0 n GLU 115 Cb 0.00 -1.05 0.00 0.00 -0.02 0.00 0.00 31.44 30.37 2ka0 n GLU 115 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2ka0 n LYS 116 N -0.46 -1.50 -2.40 3.49 5.02 -1.26 -2.09 118.16 118.97 2ka0 n LYS 116 Ca 0.15 1.53 -0.33 0.00 -2.02 0.00 0.00 58.31 57.64 2ka0 n LYS 116 Cb 0.89 -2.65 -0.03 0.00 -0.02 0.00 0.00 35.03 33.22 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 -1.27 4.18 -0.19 -0.18 0.11 -1.02 -4.23 120.40 117.79 2ka0 s VAL 117 Ca 0.02 1.15 0.00 0.00 -2.93 0.00 0.00 61.98 60.22 2ka0 s VAL 117 Cb -0.00 -3.56 0.02 0.00 -1.53 0.00 0.00 36.38 31.31 2ka0 s VAL 117 CO 0.32 -0.50 -0.16 0.00 -3.33 0.00 0.00 175.10 171.43 2ka0 s ALA 118 N -2.39 2.44 -0.56 1.54 0.00 0.42 -2.76 121.76 120.45 2ka0 s ALA 118 Ca 0.62 -1.26 -0.17 0.00 0.00 0.00 0.00 51.96 51.16 2ka0 s ALA 118 Cb -0.13 -1.31 0.12 0.00 0.00 0.00 0.00 23.12 21.81 2ka0 s ALA 118 CO 0.28 -0.44 0.57 0.08 0.00 0.00 0.00 175.76 176.24 2ka0 s VAL 119 N 1.31 5.11 0.20 0.00 1.01 0.58 -1.40 120.40 127.21 2ka0 s VAL 119 Ca 0.04 -1.38 0.04 0.00 0.00 0.00 0.00 61.98 60.68 2ka0 s VAL 119 Cb -0.14 -4.39 -0.05 0.00 0.00 0.00 0.00 36.38 31.81 2ka0 s VAL 119 CO -0.11 -0.95 -0.05 -0.13 0.00 0.00 0.00 175.10 173.87 2ka0 s ARG 120 N 1.88 1.24 0.46 2.72 0.52 -0.89 -2.36 118.95 122.51 2ka0 s ARG 120 Ca 0.06 -1.59 0.31 0.00 -0.52 0.00 0.00 55.73 53.99 2ka0 s ARG 120 Cb -0.28 -0.65 1.33 0.00 0.52 0.00 0.00 34.95 35.87 2ka0 s ARG 120 CO 0.04 -0.01 1.92 0.74 0.02 0.00 0.00 175.30 178.00 2ka0 h PHE 121 N 2.59 0.00 0.00 -0.53 0.04 -1.84 0.15 116.94 117.34 2ka0 h PHE 121 Ca -0.38 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.39 2ka0 h PHE 121 Cb 1.21 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.36 2ka0 h PHE 121 CO 0.61 0.00 0.00 0.00 -0.60 0.00 0.00 178.31 178.32 2ka0 n ALA 122 N -1.98 0.00 -2.78 2.45 0.00 -1.26 -2.68 120.51 114.25 2ka0 n ALA 122 Ca 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 2ka0 n ALA 122 Cb 0.25 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.76 2ka0 n ALA 122 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2ka0 n SER 123 N 1.00 1.09 -0.88 0.00 2.88 -1.26 -4.76 113.62 111.69 2ka0 n SER 123 Ca 0.00 -2.19 0.11 0.00 -1.33 0.00 0.00 58.87 55.46 2ka0 n SER 123 Cb 0.00 -0.31 0.09 0.00 -0.75 0.00 0.00 64.21 63.24 2ka0 n SER 123 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57