#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 2.68 -0.05 2.12 1.81 -1.26 -0.57 118.95 123.68 2ka0 s ARG 2 Ca 0.00 1.53 -0.16 0.00 -1.72 0.00 0.00 55.73 55.38 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 -1.37 0.37 0.08 -0.68 0.00 0.00 175.30 173.70 2ka0 s VAL 3 N -2.16 0.04 -0.02 3.52 1.01 -0.47 -4.38 120.40 117.94 2ka0 s VAL 3 Ca 0.70 -0.31 0.06 0.00 0.00 0.00 0.00 61.98 62.43 2ka0 s VAL 3 Cb -0.23 -0.64 -0.02 0.00 0.00 0.00 0.00 36.38 35.49 2ka0 s VAL 3 CO 0.41 -0.17 -0.21 -0.70 0.00 0.00 0.00 175.10 174.42 2ka0 s GLU 4 N -0.93 1.73 -0.38 2.72 2.12 0.25 -0.37 118.70 123.82 2ka0 s GLU 4 Ca -0.10 -0.76 0.03 0.00 0.36 0.00 0.00 54.97 54.50 2ka0 s GLU 4 Cb -0.04 -1.67 0.11 0.00 0.26 0.00 0.00 34.13 32.79 2ka0 s GLU 4 CO 0.04 0.45 0.11 -0.51 -0.54 0.00 0.00 175.26 174.82 2ka0 s LEU 5 N -0.49 4.82 0.08 2.70 1.02 -0.48 -0.12 118.68 126.20 2ka0 s LEU 5 Ca 0.08 -2.26 -0.24 0.00 0.02 0.00 0.00 54.13 51.73 2ka0 s LEU 5 Cb -0.08 -1.67 -0.06 0.00 0.02 0.00 0.00 46.19 44.39 2ka0 s LEU 5 CO -0.01 -0.39 0.74 -0.76 0.02 0.00 0.00 176.35 175.95 2ka0 s LEU 6 N 0.77 4.50 0.40 1.79 1.43 -0.27 -0.81 118.68 126.49 2ka0 s LEU 6 Ca 0.11 1.48 0.04 0.00 -1.03 0.00 0.00 54.13 54.73 2ka0 s LEU 6 Cb -0.21 -3.20 -0.05 0.00 0.03 0.00 0.00 46.19 42.77 2ka0 s LEU 6 CO -0.06 0.10 0.06 -0.36 0.23 0.00 0.00 176.35 176.32 2ka0 s PHE 7 N -0.49 2.00 0.38 0.29 0.40 0.50 0.02 117.98 121.09 2ka0 s PHE 7 Ca 0.36 -0.99 0.12 0.00 -0.60 0.00 0.00 56.93 55.83 2ka0 s PHE 7 Cb -0.21 -1.41 0.77 0.00 0.51 0.00 0.00 43.02 42.67 2ka0 s PHE 7 CO 0.23 0.06 1.86 0.93 0.70 0.00 0.00 175.22 179.00 2ka0 h GLU 8 N 1.80 0.04 0.00 0.44 4.39 -1.17 -3.19 114.58 116.89 2ka0 h GLU 8 Ca -0.41 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.28 2ka0 h GLU 8 Cb 1.27 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.91 2ka0 h GLU 8 CO 0.69 0.35 -0.87 0.43 -1.16 0.00 0.00 179.01 178.45 2ka0 n SER 9 N -4.16 0.63 0.00 1.42 7.64 -1.26 -5.07 113.62 112.82 2ka0 n SER 9 Ca -0.02 -0.25 0.00 0.00 1.01 0.00 0.00 58.87 59.61 2ka0 n SER 9 Cb 0.36 0.63 0.00 0.00 -1.01 0.00 0.00 64.21 64.19 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 1.40 -0.51 3.60 0.23 0.00 -1.21 -4.99 105.19 103.72 2ka0 n GLY 10 Ca 0.03 -0.98 -0.09 0.00 0.00 0.00 0.00 46.02 44.97 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 -1.49 1.48 0.35 1.61 -2.85 -1.26 -0.37 119.74 117.21 2ka0 s LYS 11 Ca 0.00 -0.80 0.05 0.00 -1.00 0.00 0.00 55.97 54.23 2ka0 s LYS 11 Cb 0.00 0.57 -0.03 0.00 -2.06 0.00 0.00 37.83 36.31 2ka0 s LYS 11 CO 0.00 -0.65 0.22 0.00 0.10 0.00 0.00 175.35 175.02 2ka0 s VAL 13 N -3.43 0.31 0.30 0.00 1.01 -0.66 -1.39 120.40 116.55 2ka0 s VAL 13 Ca 0.35 0.04 0.10 0.00 0.00 0.00 0.00 61.98 62.47 2ka0 s VAL 13 Cb 0.03 -0.40 -0.05 0.00 0.00 0.00 0.00 36.38 35.96 2ka0 s VAL 13 CO 0.22 0.19 -0.05 0.27 0.00 0.00 0.00 175.10 175.73 2ka0 s ILE 14 N 1.15 2.84 -0.09 2.22 -4.36 0.50 -1.58 121.20 121.87 2ka0 s ILE 14 Ca -0.08 -2.06 0.04 0.00 -0.26 0.00 0.00 60.65 58.29 2ka0 s ILE 14 Cb -0.14 -2.69 0.00 0.00 1.25 0.00 0.00 42.46 40.89 2ka0 s ILE 14 CO -0.02 -0.30 -0.23 -0.62 0.24 0.00 0.00 174.94 174.01 2ka0 s ASP 15 N -3.65 2.96 -0.04 4.36 2.15 -0.03 -1.37 116.67 121.05 2ka0 s ASP 15 Ca 0.33 -0.53 0.05 0.00 0.43 0.00 0.00 52.55 52.82 2ka0 s ASP 15 Cb -0.03 -1.32 -0.01 0.00 -0.30 0.00 0.00 42.92 41.26 2ka0 s ASP 15 CO 0.18 0.15 -0.19 -0.76 -0.17 0.00 0.00 175.17 174.39 2ka0 s LEU 16 N 0.34 1.95 0.18 -1.34 1.43 0.26 -0.72 118.68 120.79 2ka0 s LEU 16 Ca -0.18 -0.38 -0.30 0.00 -1.03 0.00 0.00 54.13 52.24 2ka0 s LEU 16 Cb -0.17 -1.05 -0.08 0.00 0.03 0.00 0.00 46.19 44.92 2ka0 s LEU 16 CO 0.08 0.18 1.06 0.21 0.23 0.00 0.00 176.35 178.11 2ka0 s ASN 17 N -0.04 7.34 -0.47 2.29 2.47 -0.84 -0.81 114.94 124.88 2ka0 s ASN 17 Ca -0.03 2.05 -0.00 0.00 0.42 0.00 0.00 52.86 55.30 2ka0 s ASN 17 Cb -0.12 -2.60 0.39 0.00 -1.45 0.00 0.00 41.25 37.47 2ka0 s ASN 17 CO 0.02 -0.15 1.94 -0.62 -3.72 0.00 0.00 177.10 174.57 2ka0 n GLU 18 N 2.22 2.20 -0.26 0.43 1.02 -1.26 -4.04 120.64 120.95 2ka0 n GLU 18 Ca 0.02 -2.46 0.08 0.00 -0.02 0.00 0.00 57.16 54.78 2ka0 n GLU 18 Cb 0.47 -1.96 0.17 0.00 -0.02 0.00 0.00 31.44 30.09 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 -0.47 1.50 -4.45 3.49 1.02 -1.26 -5.00 120.64 115.47 2ka0 n GLU 19 Ca 0.48 -2.81 -0.22 0.00 -0.02 0.00 0.00 57.16 54.59 2ka0 n GLU 19 Cb 0.85 -1.57 -0.16 0.00 -0.02 0.00 0.00 31.44 30.54 2ka0 n GLU 19 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2ka0 s TYR 20 N -2.98 1.12 0.18 -0.32 2.02 -1.26 -5.04 117.35 111.07 2ka0 s TYR 20 Ca 0.35 -0.33 -0.23 0.00 -0.37 0.00 0.00 57.07 56.49 2ka0 s TYR 20 Cb 0.31 -0.82 0.10 0.00 -0.40 0.00 0.00 41.96 41.14 2ka0 s TYR 20 CO 0.01 -0.17 1.57 1.49 -1.57 0.00 0.00 175.55 176.88 2ka0 h GLU 21 N 6.67 -0.16 -0.99 -0.62 4.57 -1.95 -1.45 114.58 120.66 2ka0 h GLU 21 Ca -0.34 0.01 0.04 0.00 -1.18 0.00 0.00 59.36 57.89 2ka0 h GLU 21 Cb 1.17 0.04 -0.06 0.00 -0.16 0.00 0.00 28.75 29.74 2ka0 h GLU 21 CO 0.48 -0.11 0.65 -0.24 -1.18 0.00 0.00 179.01 178.61 2ka0 h VAL 22 N -0.17 1.17 -0.05 0.32 3.04 -1.97 -0.49 116.25 118.10 2ka0 h VAL 22 Ca 0.22 -0.43 -0.07 0.00 -1.01 0.00 0.00 66.70 65.42 2ka0 h VAL 22 Cb 0.56 -0.19 -0.01 0.00 -2.01 0.00 0.00 31.29 29.64 2ka0 h VAL 22 CO -0.73 0.23 -0.28 0.58 -1.01 0.00 0.00 177.57 176.36 2ka0 h VAL 23 N 1.25 1.22 -0.20 1.51 2.07 -1.58 0.20 116.25 120.72 2ka0 h VAL 23 Ca 0.39 -1.05 -0.02 0.00 0.82 0.00 0.00 66.70 66.84 2ka0 h VAL 23 Cb 0.00 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 2ka0 h VAL 23 CO -0.12 0.31 0.04 0.11 0.02 0.00 0.00 177.57 177.92 2ka0 h LYS 24 N 0.08 0.32 -0.22 1.57 1.57 -0.87 -2.61 116.57 116.41 2ka0 h LYS 24 Ca 0.01 -0.08 -0.16 0.00 -1.87 0.00 0.00 60.65 58.56 2ka0 h LYS 24 Cb 0.54 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 2ka0 h LYS 24 CO 0.04 0.46 -0.50 -0.07 -0.57 0.00 0.00 179.45 178.80 2ka0 h LEU 25 N 0.12 0.67 -1.19 2.94 -0.00 -0.41 -2.43 115.31 115.01 2ka0 h LEU 25 Ca 0.06 -0.34 0.10 0.00 -0.00 0.00 0.00 57.88 57.70 2ka0 h LEU 25 Cb 0.29 -0.19 -0.07 0.00 -0.00 0.00 0.00 40.66 40.69 2ka0 h LEU 25 CO 0.00 1.06 0.58 -0.07 -0.00 0.00 0.00 178.44 180.01 2ka0 h LEU 26 N 0.48 0.80 -2.13 1.67 -0.00 -0.66 -0.85 115.31 114.62 2ka0 h LEU 26 Ca 0.02 0.02 0.02 0.00 -0.00 0.00 0.00 57.88 57.94 2ka0 h LEU 26 Cb 1.05 -0.14 -0.00 0.00 -0.00 0.00 0.00 40.66 41.56 2ka0 h LEU 26 CO 0.10 0.47 0.05 0.50 -0.00 0.00 0.00 178.44 179.56 2ka0 h LYS 27 N 0.88 0.00 -0.19 1.13 3.11 -1.03 0.15 116.57 120.63 2ka0 h LYS 27 Ca 0.42 0.00 -0.12 0.00 -2.81 0.00 0.00 60.65 58.14 2ka0 h LYS 27 Cb 0.42 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.64 2ka0 h LYS 27 CO -0.18 0.00 -0.39 0.93 -2.81 0.00 0.00 179.45 177.00 2ka0 h GLU 28 N 0.00 0.43 -0.72 1.90 5.08 -1.22 -3.32 114.58 116.72 2ka0 h GLU 28 Ca 0.03 -0.20 -0.43 0.00 -1.00 0.00 0.00 59.36 57.76 2ka0 h GLU 28 Cb 0.14 -0.00 -0.25 0.00 0.50 0.00 0.00 28.75 29.14 2ka0 h GLU 28 CO -0.00 0.75 0.23 1.63 -1.00 0.00 0.00 179.01 180.62 2ka0 n LYS 29 N -4.04 2.37 -4.46 2.33 4.76 0.49 -4.92 118.16 114.68 2ka0 n LYS 29 Ca -0.01 -3.30 -0.21 0.00 -2.87 0.00 0.00 58.31 51.91 2ka0 n LYS 29 Cb 0.49 -2.08 -0.14 0.00 -1.84 0.00 0.00 35.03 31.46 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 -3.80 1.18 0.88 -0.18 1.01 -0.92 -4.01 121.20 115.37 2ka0 s ILE 30 Ca 0.53 -0.93 -0.11 0.00 0.00 0.00 0.00 60.65 60.15 2ka0 s ILE 30 Cb 0.45 -1.04 0.12 0.00 0.01 0.00 0.00 42.46 42.00 2ka0 s ILE 30 CO 0.03 0.11 1.16 -2.16 0.00 0.00 0.00 174.94 174.08 2ka0 s PRO 31 N -0.94 1.25 0.17 2.79 0.04 -1.26 -5.00 135.00 132.05 2ka0 s PRO 31 Ca 0.03 1.58 -0.19 0.00 0.04 0.00 0.00 61.00 62.46 2ka0 s PRO 31 Cb -0.07 -1.75 0.04 0.00 0.04 0.00 0.00 34.50 32.76 2ka0 s PRO 31 CO 0.01 -2.47 0.52 -0.59 0.04 0.00 0.00 177.00 174.51 2ka0 s PHE 32 N -2.54 -0.26 0.21 0.56 -0.71 -0.73 -5.00 117.98 109.51 2ka0 s PHE 32 Ca 0.68 -0.05 0.11 0.00 -1.04 0.00 0.00 56.93 56.63 2ka0 s PHE 32 Cb -0.24 0.42 -0.04 0.00 -1.21 0.00 0.00 43.02 41.94 2ka0 s PHE 32 CO 0.56 -0.86 -0.22 -1.21 -1.34 0.00 0.00 175.22 172.15 2ka0 s GLU 33 N -3.82 1.51 0.21 1.99 2.02 -1.26 -0.24 118.70 119.09 2ka0 s GLU 33 Ca 0.05 -1.55 -0.23 0.00 0.02 0.00 0.00 54.97 53.26 2ka0 s GLU 33 Cb -0.00 -1.74 0.06 0.00 0.10 0.00 0.00 34.13 32.55 2ka0 s GLU 33 CO -0.08 0.36 0.92 0.45 0.02 0.00 0.00 175.26 176.93 2ka0 s SER 34 N -2.84 -0.14 0.08 -0.19 0.15 -1.06 -5.00 113.70 104.70 2ka0 s SER 34 Ca 0.22 -0.57 -0.18 0.00 0.70 0.00 0.00 55.95 56.11 2ka0 s SER 34 Cb -0.07 0.57 -0.07 0.00 -1.71 0.00 0.00 66.02 64.75 2ka0 s SER 34 CO 0.10 -1.08 0.55 -0.69 1.20 0.00 0.00 173.24 173.32 2ka0 s VAL 35 N -3.08 4.78 -1.15 4.45 1.01 -1.26 -1.36 120.40 123.79 2ka0 s VAL 35 Ca 0.14 1.14 -0.05 0.00 0.00 0.00 0.00 61.98 63.21 2ka0 s VAL 35 Cb -0.03 -3.86 0.25 0.00 0.00 0.00 0.00 36.38 32.74 2ka0 s VAL 35 CO 0.05 0.52 1.76 0.52 0.00 0.00 0.00 175.10 177.94 2ka0 n VAL 36 N 1.62 5.23 -1.74 2.92 0.31 -1.23 -4.27 118.33 121.16 2ka0 n VAL 36 Ca -0.10 -5.37 -0.42 0.00 -0.01 0.00 0.00 64.34 58.44 2ka0 n VAL 36 Cb 0.51 -2.05 -0.01 0.00 -0.91 0.00 0.00 33.84 31.38 2ka0 n VAL 36 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2ka0 n ASN 37 N 1.75 3.47 -4.49 4.52 3.02 -0.84 -3.89 115.26 118.80 2ka0 n ASN 37 Ca 0.38 1.20 -0.29 0.00 -0.03 0.00 0.00 54.58 55.84 2ka0 n ASN 37 Cb 0.32 -1.56 -0.11 0.00 -0.61 0.00 0.00 39.78 37.81 2ka0 n ASN 37 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2ka0 s THR 38 N -0.74 2.82 -0.28 3.41 -4.23 -1.26 -1.33 115.64 114.04 2ka0 s THR 38 Ca 0.58 -1.60 -0.06 0.00 -1.18 0.00 0.00 61.69 59.43 2ka0 s THR 38 Cb -0.52 -2.32 0.14 0.00 1.34 0.00 0.00 72.50 71.15 2ka0 s THR 38 CO 0.58 0.04 0.57 0.86 -0.54 0.00 0.00 174.62 176.13 2ka0 s TRP 39 N -1.29 -1.28 0.00 3.99 -0.00 -0.88 -5.00 118.94 114.49 2ka0 s TRP 39 Ca 0.19 1.85 0.00 0.00 -0.00 0.00 0.00 56.10 58.14 2ka0 s TRP 39 Cb -0.10 0.57 0.00 0.00 -0.00 0.00 0.00 33.47 33.94 2ka0 s TRP 39 CO 0.11 -0.71 0.00 0.41 -0.00 0.00 0.00 176.95 176.76 2ka0 n GLY 40 N 5.42 0.57 2.22 5.86 0.00 -1.26 -1.53 105.19 116.47 2ka0 n GLY 40 Ca -0.07 0.59 -0.00 0.00 0.00 0.00 0.00 46.02 46.53 2ka0 n GLY 40 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2ka0 n GLU 41 N 0.00 1.30 -4.50 1.61 2.13 -1.25 -5.06 120.64 114.88 2ka0 n GLU 41 Ca 0.00 -3.05 -0.24 0.00 0.66 0.00 0.00 57.16 54.53 2ka0 n GLU 41 Cb 0.00 -1.13 -0.10 0.00 0.27 0.00 0.00 31.44 30.47 2ka0 n GLU 41 CO 0.00 0.00 0.00 -1.83 -0.41 0.00 0.00 177.13 174.89 2ka0 s GLU 42 N -2.50 1.72 0.08 5.31 -1.05 -0.58 -3.93 118.70 117.74 2ka0 s GLU 42 Ca 0.32 -1.89 0.09 0.00 -0.15 0.00 0.00 54.97 53.33 2ka0 s GLU 42 Cb 0.35 -1.43 -0.03 0.00 -0.44 0.00 0.00 34.13 32.58 2ka0 s GLU 42 CO -0.08 0.06 -0.24 0.42 0.95 0.00 0.00 175.26 176.38 2ka0 s ILE 43 N -2.82 1.94 0.28 1.83 1.01 -1.07 -2.07 121.20 120.30 2ka0 s ILE 43 Ca 0.32 -1.48 0.04 0.00 0.00 0.00 0.00 60.65 59.53 2ka0 s ILE 43 Cb 0.04 -1.71 -0.03 0.00 0.01 0.00 0.00 42.46 40.77 2ka0 s ILE 43 CO 0.15 0.14 0.21 -0.72 0.00 0.00 0.00 174.94 174.72 2ka0 s TYR 44 N -0.96 1.52 0.05 3.97 -0.85 -0.44 -1.01 117.35 119.63 2ka0 s TYR 44 Ca 0.10 -1.53 -0.09 0.00 -0.52 0.00 0.00 57.07 55.02 2ka0 s TYR 44 Cb -0.10 -0.67 0.00 0.00 0.38 0.00 0.00 41.96 41.58 2ka0 s TYR 44 CO 0.04 -0.75 0.20 -0.59 -1.52 0.00 0.00 175.55 172.92 2ka0 s PHE 45 N -3.73 0.08 -0.82 -3.49 -0.71 -1.26 -1.99 117.98 106.06 2ka0 s PHE 45 Ca 0.40 -0.36 -0.25 0.00 -1.04 0.00 0.00 56.93 55.67 2ka0 s PHE 45 Cb 0.04 -0.04 0.04 0.00 -1.21 0.00 0.00 43.02 41.86 2ka0 s PHE 45 CO 0.21 -0.47 1.32 -1.12 -1.34 0.00 0.00 175.22 173.82 2ka0 s SER 46 N -2.32 6.27 0.54 1.98 0.01 -1.26 -1.92 113.70 117.00 2ka0 s SER 46 Ca -0.02 -0.80 -0.21 0.00 1.31 0.00 0.00 55.95 56.22 2ka0 s SER 46 Cb 0.01 -2.55 -0.05 0.00 0.21 0.00 0.00 66.02 63.63 2ka0 s SER 46 CO -0.06 -1.71 1.27 0.42 0.41 0.00 0.00 173.24 173.57 2ka0 s THR 47 N 5.39 2.48 0.19 1.44 -4.23 -0.65 -4.92 115.64 115.34 2ka0 s THR 47 Ca 0.38 0.35 -0.07 0.00 -1.18 0.00 0.00 61.69 61.16 2ka0 s THR 47 Cb -0.06 -3.17 0.05 0.00 1.34 0.00 0.00 72.50 70.67 2ka0 s THR 47 CO 0.07 -0.02 1.64 1.55 -0.54 0.00 0.00 174.62 177.31 2ka0 h PRO 48 N 1.47 0.97 -7.35 3.99 0.13 -1.95 -3.44 132.00 125.82 2ka0 h PRO 48 Ca -0.50 -0.34 -0.49 0.00 -0.87 0.00 0.00 66.00 63.79 2ka0 h PRO 48 Cb 1.29 -0.07 0.13 0.00 0.13 0.00 0.00 31.00 32.47 2ka0 h PRO 48 CO 0.57 1.01 0.30 0.54 -0.23 0.00 0.00 178.00 180.19 2ka0 s VAL 49 N -4.87 3.01 -0.22 1.56 0.11 -1.26 -5.04 120.40 113.69 2ka0 s VAL 49 Ca -0.11 0.33 0.23 0.00 -2.93 0.00 0.00 61.98 59.50 2ka0 s VAL 49 Cb 0.13 -2.91 0.48 0.00 -1.53 0.00 0.00 36.38 32.56 2ka0 s VAL 49 CO 0.85 -0.43 1.15 -0.46 -3.33 0.00 0.00 175.10 172.88 2ka0 n ASN 50 N -3.62 1.25 -4.71 3.54 0.23 -1.26 -4.92 115.26 105.76 2ka0 n ASN 50 Ca 0.07 -2.03 -0.35 0.00 -0.53 0.00 0.00 54.58 51.75 2ka0 n ASN 50 Cb 0.55 -0.37 0.10 0.00 -2.08 0.00 0.00 39.78 37.99 2ka0 n ASN 50 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 2ka0 s VAL 51 N -2.92 2.10 0.00 3.53 1.01 -1.26 -4.97 120.40 117.88 2ka0 s VAL 51 Ca 0.27 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.30 2ka0 s VAL 51 Cb 0.33 -2.66 0.00 0.00 0.00 0.00 0.00 36.38 34.06 2ka0 s VAL 51 CO -0.07 -0.03 0.04 0.00 0.00 0.00 0.00 175.10 175.05 2ka0 n GLN 52 N -2.78 3.11 -2.35 2.72 6.02 -1.26 -4.68 117.38 118.15 2ka0 n GLN 52 Ca 0.14 -0.04 -0.42 0.00 -0.01 0.00 0.00 57.00 56.67 2ka0 n GLN 52 Cb 0.50 -0.35 -0.03 0.00 1.02 0.00 0.00 30.24 31.38 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 -0.46 4.34 -0.08 -1.09 2.47 -1.26 -5.03 119.74 118.63 2ka0 s LYS 53 Ca 0.00 1.82 0.01 0.00 -1.56 0.00 0.00 55.97 56.24 2ka0 s LYS 53 Cb 0.00 -3.51 0.02 0.00 -1.46 0.00 0.00 37.83 32.88 2ka0 s LYS 53 CO 0.00 -0.46 -0.09 0.00 0.16 0.00 0.00 175.35 174.96 2ka0 s MET 54 N 2.02 1.44 -0.08 4.03 0.23 -1.26 -4.74 119.30 120.95 2ka0 s MET 54 Ca 0.60 -0.28 0.06 0.00 -1.03 0.00 0.00 55.69 55.04 2ka0 s MET 54 Cb -0.29 -1.36 -0.24 0.00 -1.53 0.00 0.00 34.83 31.41 2ka0 s MET 54 CO 0.25 -0.12 0.53 0.39 -2.03 0.00 0.00 175.02 174.05 2ka0 n GLU 55 N 4.35 0.68 -3.05 3.16 -0.58 -1.26 -4.71 120.64 119.23 2ka0 n GLU 55 Ca -0.18 0.27 -0.25 0.00 -0.42 0.00 0.00 57.16 56.57 2ka0 n GLU 55 Cb 0.51 -1.75 -0.04 0.00 -0.57 0.00 0.00 31.44 29.58 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 -3.18 3.68 -4.68 1.62 5.15 -1.26 -5.07 115.26 111.52 2ka0 n ASN 56 Ca -0.23 -3.52 -0.42 0.00 -0.60 0.00 0.00 54.58 49.81 2ka0 n ASN 56 Cb 1.05 -0.59 -0.03 0.00 -0.53 0.00 0.00 39.78 39.69 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 -3.12 4.21 0.08 1.20 0.04 -1.26 -1.97 135.00 134.18 2ka0 s PRO 57 Ca 0.46 2.22 0.06 0.00 0.04 0.00 0.00 61.00 63.78 2ka0 s PRO 57 Cb 0.27 -3.66 -0.03 0.00 0.04 0.00 0.00 34.50 31.12 2ka0 s PRO 57 CO -0.11 -0.72 -0.16 1.03 0.04 0.00 0.00 177.00 177.08 2ka0 s ARG 58 N 2.83 0.93 -0.00 4.56 0.52 -0.46 -4.95 118.95 122.38 2ka0 s ARG 58 Ca 0.72 -0.99 0.09 0.00 -0.52 0.00 0.00 55.73 55.03 2ka0 s ARG 58 Cb -0.37 -1.02 -0.11 0.00 0.52 0.00 0.00 34.95 33.98 2ka0 s ARG 58 CO 0.30 0.23 0.38 0.39 0.02 0.00 0.00 175.30 176.63 2ka0 n GLU 59 N 1.32 3.53 -4.66 3.54 1.02 -1.26 -3.85 120.64 120.28 2ka0 n GLU 59 Ca -0.20 -0.01 -0.24 0.00 -0.02 0.00 0.00 57.16 56.69 2ka0 n GLU 59 Cb 0.54 -0.97 -0.16 0.00 -0.02 0.00 0.00 31.44 30.83 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 -1.96 1.18 0.00 2.62 1.01 -1.26 -4.03 120.40 117.95 2ka0 s VAL 60 Ca 0.03 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.43 2ka0 s VAL 60 Cb 0.07 -1.03 0.00 0.00 0.00 0.00 0.00 36.38 35.42 2ka0 s VAL 60 CO 0.39 0.35 0.00 1.33 0.00 0.00 0.00 175.10 177.17 2ka0 n VAL 61 N 3.24 0.00 -4.18 2.92 0.24 -0.47 -5.01 118.33 115.07 2ka0 n VAL 61 Ca -0.18 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 61.96 2ka0 n VAL 61 Cb 0.53 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.83 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 -0.20 1.70 -0.01 7.34 2.02 -1.26 -4.70 118.70 123.60 2ka0 s GLU 62 Ca 0.00 -1.81 0.04 0.00 0.02 0.00 0.00 54.97 53.22 2ka0 s GLU 62 Cb 0.00 0.37 0.14 0.00 0.10 0.00 0.00 34.13 34.73 2ka0 s GLU 62 CO 0.00 -0.66 1.07 -0.89 0.02 0.00 0.00 175.26 174.80 2ka0 n ILE 63 N -0.53 0.24 -1.03 -1.63 5.41 -1.26 -3.87 119.36 116.70 2ka0 n ILE 63 Ca 0.04 -0.21 0.00 0.00 1.00 0.00 0.00 62.75 63.58 2ka0 n ILE 63 Cb 0.63 0.04 0.00 0.00 -0.71 0.00 0.00 39.64 39.59 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 0.67 -2.81 2.47 7.39 0.00 -1.19 -4.48 105.19 107.24 2ka0 n GLY 64 Ca 0.05 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.89 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 0.94 -3.69 1.61 9.92 -1.23 -1.43 116.55 122.67 2ka0 n ASP 65 Ca 0.00 -2.61 -0.14 0.00 -0.53 0.00 0.00 54.79 51.51 2ka0 n ASP 65 Cb 0.50 0.82 -0.08 0.00 -0.64 0.00 0.00 41.12 41.72 2ka0 n ASP 65 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 2ka0 s VAL 66 N -2.72 0.03 0.26 2.53 -7.23 -1.26 -1.04 120.40 110.97 2ka0 s VAL 66 Ca 0.17 -0.21 0.03 0.00 -1.81 0.00 0.00 61.98 60.16 2ka0 s VAL 66 Cb 0.01 -0.71 -0.04 0.00 0.56 0.00 0.00 36.38 36.20 2ka0 s VAL 66 CO 0.12 -0.12 0.19 -0.83 -0.31 0.00 0.00 175.10 174.15 2ka0 s GLY 67 N -0.77 1.86 -0.14 2.32 0.00 -0.41 -4.45 107.32 105.73 2ka0 s GLY 67 Ca -0.08 -1.85 -0.01 0.00 0.00 0.00 0.00 44.72 42.77 2ka0 s GLY 67 CO 0.04 -1.46 -0.03 -0.47 0.00 0.00 0.00 173.10 171.18 2ka0 s TYR 68 N -3.81 1.33 -0.78 1.90 5.04 -0.72 -0.89 117.35 119.43 2ka0 s TYR 68 Ca 0.39 -0.78 -0.06 0.00 -2.44 0.00 0.00 57.07 54.18 2ka0 s TYR 68 Cb 0.05 -1.15 0.20 0.00 0.35 0.00 0.00 41.96 41.41 2ka0 s TYR 68 CO 0.19 -0.53 0.65 -0.46 -1.34 0.00 0.00 175.55 174.06 2ka0 s TRP 69 N 1.76 3.67 0.24 4.97 -0.00 0.13 -1.77 118.94 127.94 2ka0 s TRP 69 Ca 0.02 -2.62 -0.05 0.00 -0.00 0.00 0.00 56.10 53.45 2ka0 s TRP 69 Cb -0.14 -3.40 0.37 0.00 -0.00 0.00 0.00 33.47 30.30 2ka0 s TRP 69 CO -0.07 -0.86 1.79 -1.00 -0.00 0.00 0.00 176.95 176.81 2ka0 h PRO 70 N 6.92 0.68 0.00 5.86 0.13 -1.83 -2.25 132.00 141.50 2ka0 h PRO 70 Ca 0.07 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 2ka0 h PRO 70 Cb 0.93 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 31.91 2ka0 h PRO 70 CO 0.78 0.45 0.00 -1.00 -0.23 0.00 0.00 178.00 178.00 2ka0 h PRO 71 N 0.70 0.00 -0.02 1.56 0.13 -1.94 0.05 132.00 132.48 2ka0 h PRO 71 Ca 0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.51 2ka0 h PRO 71 Cb 0.38 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.51 2ka0 h PRO 71 CO -0.26 0.00 -0.01 0.41 -0.23 0.00 0.00 178.00 177.91 2ka0 n GLY 72 N 0.39 0.22 4.20 1.56 0.00 -1.06 -4.95 105.19 105.55 2ka0 n GLY 72 Ca 0.02 -0.50 -0.36 0.00 0.00 0.00 0.00 46.02 45.18 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 0.42 -3.14 -4.68 1.61 4.01 0.00 -4.93 118.16 111.46 2ka0 n LYS 73 Ca 0.18 0.37 -0.30 0.00 -0.51 0.00 0.00 58.31 58.05 2ka0 n LYS 73 Cb 0.41 -5.11 -0.13 0.00 -0.51 0.00 0.00 35.03 29.69 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 -3.26 2.43 1.21 7.82 0.00 -0.87 -1.64 121.76 127.45 2ka0 s ALA 74 Ca 0.74 -1.29 -0.19 0.00 0.00 0.00 0.00 51.96 51.23 2ka0 s ALA 74 Cb -0.41 -0.56 0.28 0.00 0.00 0.00 0.00 23.12 22.43 2ka0 s ALA 74 CO 0.91 0.55 1.03 -0.11 0.00 0.00 0.00 175.76 178.14 2ka0 n LEU 75 N 1.46 0.00 -3.89 0.00 7.94 -0.81 -0.69 117.00 121.02 2ka0 n LEU 75 Ca -0.17 -1.09 -0.09 0.00 -1.11 0.00 0.00 56.01 53.55 2ka0 n LEU 75 Cb 0.52 -0.93 -0.08 0.00 0.53 0.00 0.00 43.42 43.47 2ka0 n LEU 75 CO 0.25 -2.02 -0.14 0.00 -1.11 0.00 0.00 177.39 174.37 2ka0 s LEU 77 N -2.70 0.08 -0.20 0.00 1.43 -0.18 -1.29 118.68 115.82 2ka0 s LEU 77 Ca 0.03 0.06 -0.02 0.00 -1.03 0.00 0.00 54.13 53.17 2ka0 s LEU 77 Cb 0.04 0.02 -0.00 0.00 0.03 0.00 0.00 46.19 46.28 2ka0 s LEU 77 CO -0.09 -0.27 -0.10 -0.36 0.23 0.00 0.00 176.35 175.76 2ka0 s PHE 78 N 2.22 2.88 0.00 0.29 0.08 -0.20 -2.60 117.98 120.64 2ka0 s PHE 78 Ca 0.04 -1.13 0.00 0.00 0.12 0.00 0.00 56.93 55.96 2ka0 s PHE 78 Cb -0.13 -2.01 0.00 0.00 -0.57 0.00 0.00 43.02 40.31 2ka0 s PHE 78 CO -0.05 -0.59 0.22 1.97 -0.10 0.00 0.00 175.22 176.66 2ka0 n PHE 79 N 4.58 0.00 0.00 0.36 -1.74 -1.26 -3.19 117.46 116.21 2ka0 n PHE 79 Ca -0.19 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.70 2ka0 n PHE 79 Cb 0.51 0.06 0.00 0.00 1.52 0.00 0.00 39.48 41.57 2ka0 n PHE 79 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 2ka0 n GLY 80 N 0.00 1.83 3.33 4.97 0.00 -1.25 -4.92 105.19 109.14 2ka0 n GLY 80 Ca 0.00 0.21 -0.14 0.00 0.00 0.00 0.00 46.02 46.08 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 2.41 0.73 0.14 1.61 2.36 -1.26 -4.87 119.74 120.86 2ka0 s LYS 81 Ca 0.00 0.07 0.01 0.00 -2.55 0.00 0.00 55.97 53.51 2ka0 s LYS 81 Cb 0.00 0.34 -0.04 0.00 -1.05 0.00 0.00 37.83 37.07 2ka0 s LYS 81 CO 0.00 -0.19 -0.02 0.95 1.55 0.00 0.00 175.35 177.64 2ka0 s THR 82 N -0.99 0.61 -1.93 3.43 -4.23 -1.26 -3.75 115.64 107.52 2ka0 s THR 82 Ca -0.10 -1.95 0.28 0.00 -1.18 0.00 0.00 61.69 58.74 2ka0 s THR 82 Cb -0.04 -1.93 0.48 0.00 1.34 0.00 0.00 72.50 72.35 2ka0 s THR 82 CO 0.05 -0.64 1.80 -0.81 -0.54 0.00 0.00 174.62 174.48 2ka0 n PRO 83 N -0.14 1.01 -0.55 3.99 -0.04 -1.26 -2.31 135.00 135.70 2ka0 n PRO 83 Ca -0.09 -0.46 0.06 0.00 -0.04 0.00 0.00 63.50 62.97 2ka0 n PRO 83 Cb 0.62 -1.49 0.29 0.00 -0.04 0.00 0.00 33.50 32.88 2ka0 n PRO 83 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 2ka0 n MET 84 N -0.59 3.43 -4.53 0.54 2.81 -1.26 -4.83 117.12 112.69 2ka0 n MET 84 Ca 0.16 -2.25 -0.26 0.00 -1.81 0.00 0.00 57.70 53.54 2ka0 n MET 84 Cb 0.30 -1.88 -0.08 0.00 -0.71 0.00 0.00 33.22 30.85 2ka0 n MET 84 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2ka0 s SER 85 N -0.71 2.91 0.00 7.83 0.15 -0.98 -4.65 113.70 118.25 2ka0 s SER 85 Ca 0.40 -1.71 0.00 0.00 0.70 0.00 0.00 55.95 55.34 2ka0 s SER 85 Cb 0.28 0.57 0.00 0.00 -1.71 0.00 0.00 66.02 65.15 2ka0 s SER 85 CO 0.16 -0.97 0.00 -0.67 1.20 0.00 0.00 173.24 172.96 2ka0 n ASP 86 N -1.40 0.00 -0.08 5.45 -0.08 -1.26 -4.84 116.55 114.34 2ka0 n ASP 86 Ca -0.07 0.00 -0.15 0.00 -1.51 0.00 0.00 54.79 53.07 2ka0 n ASP 86 Cb 0.65 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 44.01 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 0.00 -1.21 1.67 5.19 -1.97 -3.51 116.42 116.59 2ka0 h ASP 87 Ca 0.00 -0.57 0.00 0.00 -0.62 0.00 0.00 57.03 55.84 2ka0 h ASP 87 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 2ka0 h ASP 87 CO 0.00 1.12 0.00 2.29 -3.12 0.00 0.00 179.24 179.53 2ka0 n LYS 88 N -4.56 1.45 -3.45 3.56 2.85 -1.26 -5.08 118.16 111.67 2ka0 n LYS 88 Ca -0.18 0.00 -0.43 0.00 -1.05 0.00 0.00 58.31 56.65 2ka0 n LYS 88 Cb 0.49 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.82 2ka0 n LYS 88 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 2ka0 s ILE 89 N -0.66 4.92 -0.00 0.58 1.01 -1.26 -4.65 121.20 121.14 2ka0 s ILE 89 Ca 0.00 -2.40 -0.02 0.00 0.00 0.00 0.00 60.65 58.23 2ka0 s ILE 89 Cb 0.00 -4.11 -0.04 0.00 0.01 0.00 0.00 42.46 38.33 2ka0 s ILE 89 CO 0.00 -0.94 0.17 -1.10 0.00 0.00 0.00 174.94 173.07 2ka0 s GLN 90 N 0.42 3.39 1.02 2.79 -0.21 -1.26 -1.36 119.66 124.44 2ka0 s GLN 90 Ca 0.14 -0.35 -0.17 0.00 0.02 0.00 0.00 55.36 55.00 2ka0 s GLN 90 Cb -0.17 -3.06 0.24 0.00 1.00 0.00 0.00 33.01 31.02 2ka0 s GLN 90 CO -0.05 0.67 1.21 -0.35 -2.12 0.00 0.00 175.29 174.64 2ka0 n PRO 91 N 0.93 -1.86 0.32 2.91 -0.04 -1.26 -3.99 135.00 132.01 2ka0 n PRO 91 Ca -0.11 -1.88 0.21 0.00 -0.04 0.00 0.00 63.50 61.68 2ka0 n PRO 91 Cb 0.52 -1.40 1.08 0.00 -0.04 0.00 0.00 33.50 33.66 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 -2.11 1.05 -2.31 0.55 0.00 -1.96 -3.45 119.26 111.04 2ka0 h ALA 92 Ca -0.41 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 2ka0 h ALA 92 Cb 1.16 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 2ka0 h ALA 92 CO 0.28 0.01 0.04 0.45 0.00 0.00 0.00 179.25 180.03 2ka0 n SER 93 N -3.17 -0.40 -4.52 0.00 2.88 -1.26 -5.02 113.62 102.12 2ka0 n SER 93 Ca -0.02 -1.31 -0.43 0.00 -1.33 0.00 0.00 58.87 55.78 2ka0 n SER 93 Cb 0.12 0.68 -0.01 0.00 -0.75 0.00 0.00 64.21 64.25 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 -1.31 3.36 0.99 -1.46 0.00 -1.26 -4.70 121.76 117.38 2ka0 s ALA 94 Ca 0.03 -2.85 -0.17 0.00 0.00 0.00 0.00 51.96 48.97 2ka0 s ALA 94 Cb -0.01 -4.39 -0.09 0.00 0.00 0.00 0.00 23.12 18.64 2ka0 s ALA 94 CO 0.03 -3.19 -0.50 0.28 0.00 0.00 0.00 175.76 172.38 2ka0 n VAL 95 N 5.91 0.00 -3.57 0.00 0.31 -1.25 -4.66 118.33 115.07 2ka0 n VAL 95 Ca 0.38 -0.34 -0.37 0.00 -0.01 0.00 0.00 64.34 64.00 2ka0 n VAL 95 Cb 0.47 -0.22 -0.09 0.00 -0.91 0.00 0.00 33.84 33.09 2ka0 n VAL 95 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 2ka0 s ASN 96 N -1.34 6.21 -0.46 4.52 2.47 -0.73 -1.36 114.94 124.25 2ka0 s ASN 96 Ca 0.45 0.23 -0.17 0.00 0.42 0.00 0.00 52.86 53.79 2ka0 s ASN 96 Cb -0.15 -2.15 0.05 0.00 -1.45 0.00 0.00 41.25 37.55 2ka0 s ASN 96 CO 0.75 0.01 0.48 -0.69 -3.72 0.00 0.00 177.10 173.93 2ka0 s VAL 97 N 1.21 5.08 0.00 -5.21 1.01 -0.83 -1.75 120.40 119.90 2ka0 s VAL 97 Ca 0.11 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.45 2ka0 s VAL 97 Cb -0.14 -4.14 0.00 0.00 0.00 0.00 0.00 36.38 32.09 2ka0 s VAL 97 CO 0.06 -0.59 0.01 2.30 0.00 0.00 0.00 175.10 176.88 2ka0 n ILE 98 N 5.41 0.00 -4.29 2.22 -5.35 -1.26 -4.79 119.36 111.30 2ka0 n ILE 98 Ca -0.09 -0.50 -0.27 0.00 -0.27 0.00 0.00 62.75 61.63 2ka0 n ILE 98 Cb 0.46 1.00 -0.07 0.00 -1.74 0.00 0.00 39.64 39.28 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 -0.97 2.47 -0.00 3.28 0.00 -1.26 -1.99 107.32 108.84 2ka0 s GLY 99 Ca 0.00 -1.85 -0.07 0.00 0.00 0.00 0.00 44.72 42.80 2ka0 s GLY 99 CO 0.00 -1.99 0.14 1.25 0.00 0.00 0.00 173.10 172.50 2ka0 s LYS 100 N -3.90 0.45 -0.71 2.90 2.20 0.11 -4.62 119.74 116.17 2ka0 s LYS 100 Ca 0.35 -0.33 -0.26 0.00 -0.36 0.00 0.00 55.97 55.36 2ka0 s LYS 100 Cb 0.04 0.19 0.00 0.00 -1.51 0.00 0.00 37.83 36.56 2ka0 s LYS 100 CO 0.19 -0.10 1.58 0.42 -0.36 0.00 0.00 175.35 177.07 2ka0 s ILE 101 N -1.22 3.56 0.15 5.43 1.01 -0.51 -0.85 121.20 128.76 2ka0 s ILE 101 Ca -0.13 0.22 -0.05 0.00 0.00 0.00 0.00 60.65 60.69 2ka0 s ILE 101 Cb -0.07 -4.45 -0.13 0.00 0.01 0.00 0.00 42.46 37.82 2ka0 s ILE 101 CO 0.01 -1.40 1.38 -0.37 0.00 0.00 0.00 174.94 174.56 2ka0 h VAL 102 N 6.51 1.35 -3.76 2.92 -1.51 -1.73 -3.45 116.25 116.58 2ka0 h VAL 102 Ca -0.23 -2.12 -0.09 0.00 -1.23 0.00 0.00 66.70 63.03 2ka0 h VAL 102 Cb 1.10 2.11 -0.13 0.00 -2.13 0.00 0.00 31.29 32.24 2ka0 h VAL 102 CO 1.26 0.65 -0.28 -1.61 -1.23 0.00 0.00 177.57 176.36 2ka0 s GLU 103 N -3.62 1.07 -0.70 5.19 2.02 -0.62 -4.94 118.70 117.10 2ka0 s GLU 103 Ca -0.07 -1.03 -0.04 0.00 0.02 0.00 0.00 54.97 53.85 2ka0 s GLU 103 Cb 0.10 0.39 0.00 0.00 0.10 0.00 0.00 34.13 34.72 2ka0 s GLU 103 CO 0.86 -0.39 0.61 0.41 0.02 0.00 0.00 175.26 176.77 2ka0 n GLY 104 N -0.18 0.13 0.28 -1.39 0.00 -1.26 -1.65 105.19 101.12 2ka0 n GLY 104 Ca -0.11 -0.18 -0.14 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.33 -0.54 -1.61 0.99 7.12 -1.92 -3.27 115.31 114.74 2ka0 h LEU 105 Ca -0.30 -0.08 0.00 0.00 0.13 0.00 0.00 57.88 57.62 2ka0 h LEU 105 Cb 1.19 0.14 0.00 0.00 -0.53 0.00 0.00 40.66 41.46 2ka0 h LEU 105 CO 0.29 -0.19 0.00 -0.33 -0.13 0.00 0.00 178.44 178.08 2ka0 h GLU 106 N -0.93 0.00 -0.03 1.25 5.08 -1.96 -0.81 114.58 117.19 2ka0 h GLU 106 Ca -0.06 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.30 2ka0 h GLU 106 Cb 0.59 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.84 2ka0 h GLU 106 CO 0.11 0.00 0.05 -0.44 -1.00 0.00 0.00 179.01 177.73 2ka0 h ASP 107 N 0.00 0.00 -0.09 1.42 5.19 -1.86 -2.63 116.42 118.45 2ka0 h ASP 107 Ca 0.00 0.00 -0.21 0.00 -0.62 0.00 0.00 57.03 56.20 2ka0 h ASP 107 Cb 0.39 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.91 2ka0 h ASP 107 CO 0.00 0.00 -0.78 -0.07 -3.12 0.00 0.00 179.24 175.27 2ka0 h LEU 108 N 0.00 0.84 0.00 1.55 4.07 -1.29 -3.25 115.31 117.23 2ka0 h LEU 108 Ca 0.01 -0.67 0.00 0.00 0.08 0.00 0.00 57.88 57.30 2ka0 h LEU 108 Cb 0.12 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 41.61 2ka0 h LEU 108 CO -0.00 1.39 0.00 0.29 -1.08 0.00 0.00 178.44 179.04 2ka0 n LYS 109 N -4.00 0.06 0.00 1.13 4.76 -0.99 -2.04 118.16 117.08 2ka0 n LYS 109 Ca -0.09 0.23 0.00 0.00 -2.87 0.00 0.00 58.31 55.58 2ka0 n LYS 109 Cb 0.75 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.44 2ka0 n LYS 109 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 2ka0 n LYS 110 N -1.26 1.38 -1.92 1.97 2.85 -1.23 -5.05 118.16 114.90 2ka0 n LYS 110 Ca 0.02 -1.08 -0.30 0.00 -1.05 0.00 0.00 58.31 55.90 2ka0 n LYS 110 Cb 0.03 -0.99 0.05 0.00 -0.65 0.00 0.00 35.03 33.47 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 -0.59 3.41 0.36 0.58 -1.09 -0.87 -4.91 121.20 118.10 2ka0 s ILE 111 Ca 0.00 0.42 0.07 0.00 -2.23 0.00 0.00 60.65 58.91 2ka0 s ILE 111 Cb 0.00 -3.45 -0.07 0.00 -1.58 0.00 0.00 42.46 37.36 2ka0 s ILE 111 CO 0.00 -0.58 -0.02 -0.54 -1.23 0.00 0.00 174.94 172.56 2ka0 s LYS 112 N -5.35 1.83 0.00 2.79 -0.14 -1.26 -5.05 119.74 112.57 2ka0 s LYS 112 Ca 0.58 -2.00 0.07 0.00 -1.36 0.00 0.00 55.97 53.27 2ka0 s LYS 112 Cb -0.11 -1.51 0.41 0.00 -1.68 0.00 0.00 37.83 34.94 2ka0 s LYS 112 CO 0.51 0.00 0.95 -3.47 -0.76 0.00 0.00 175.35 172.58 2ka0 n ASP 113 N -0.84 0.00 -0.40 2.83 2.03 -1.26 -2.39 116.55 116.53 2ka0 n ASP 113 Ca -0.05 -0.11 0.00 0.00 0.52 0.00 0.00 54.79 55.15 2ka0 n ASP 113 Cb 0.65 -0.08 0.00 0.00 -0.72 0.00 0.00 41.12 40.97 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 -0.59 0.32 0.69 0.27 0.00 -1.25 -3.53 105.19 101.10 2ka0 n GLY 114 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 0.60 -3.10 1.61 -0.58 -1.01 -4.72 120.64 113.45 2ka0 n GLU 115 Ca 0.00 0.00 -0.03 0.00 -0.42 0.00 0.00 57.16 56.71 2ka0 n GLU 115 Cb 0.59 -1.26 0.00 0.00 -0.57 0.00 0.00 31.44 30.20 2ka0 n GLU 115 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2ka0 n LYS 116 N 0.39 -1.12 -2.56 3.49 4.81 -1.26 -0.87 118.16 121.03 2ka0 n LYS 116 Ca 0.00 1.28 -0.42 0.00 -0.87 0.00 0.00 58.31 58.30 2ka0 n LYS 116 Cb 0.21 -2.10 -0.03 0.00 0.02 0.00 0.00 35.03 33.13 2ka0 n LYS 116 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2ka0 s VAL 117 N -1.20 3.92 -0.74 3.15 0.11 -0.46 -4.19 120.40 120.98 2ka0 s VAL 117 Ca 0.03 0.76 -0.25 0.00 -2.93 0.00 0.00 61.98 59.59 2ka0 s VAL 117 Cb -0.00 -4.77 0.05 0.00 -1.53 0.00 0.00 36.38 30.13 2ka0 s VAL 117 CO 0.25 -1.48 1.16 0.00 -3.33 0.00 0.00 175.10 171.70 2ka0 s ALA 118 N 5.24 2.92 0.21 1.54 0.00 0.10 -2.56 121.76 129.22 2ka0 s ALA 118 Ca 0.41 -1.69 -0.30 0.00 0.00 0.00 0.00 51.96 50.39 2ka0 s ALA 118 Cb -0.08 -4.11 -0.08 0.00 0.00 0.00 0.00 23.12 18.85 2ka0 s ALA 118 CO 0.22 -3.10 1.10 0.08 0.00 0.00 0.00 175.76 174.06 2ka0 s VAL 119 N 4.88 3.73 0.25 0.00 1.01 0.66 -1.11 120.40 129.83 2ka0 s VAL 119 Ca 0.31 1.58 0.06 0.00 0.00 0.00 0.00 61.98 63.92 2ka0 s VAL 119 Cb -0.11 -4.01 -0.02 0.00 0.00 0.00 0.00 36.38 32.24 2ka0 s VAL 119 CO 0.10 0.31 0.21 0.54 0.00 0.00 0.00 175.10 176.26 2ka0 n ARG 120 N 1.95 0.32 0.00 2.72 1.74 0.83 -1.77 116.66 122.44 2ka0 n ARG 120 Ca 0.01 -2.55 0.14 0.00 -0.77 0.00 0.00 57.85 54.68 2ka0 n ARG 120 Cb 0.46 2.07 0.54 0.00 -1.02 0.00 0.00 32.46 34.51 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 -0.49 0.00 -3.04 -1.55 3.72 -1.26 -0.59 117.46 114.25 2ka0 n PHE 121 Ca 0.06 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.36 2ka0 n PHE 121 Cb 0.46 -0.15 0.01 0.00 -0.94 0.00 0.00 39.48 38.86 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 -0.78 -2.77 0.85 4.37 0.00 -1.26 -3.15 120.51 117.76 2ka0 n ALA 122 Ca 0.14 0.63 -0.01 0.00 0.00 0.00 0.00 53.44 54.21 2ka0 n ALA 122 Cb 0.30 -2.72 0.02 0.00 0.00 0.00 0.00 19.45 17.05 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 -0.90 2.36 0.00 0.00 7.64 -1.26 -4.82 113.62 116.64 2ka0 n SER 123 Ca 0.03 -2.10 0.00 0.00 1.01 0.00 0.00 58.87 57.82 2ka0 n SER 123 Cb 0.51 -0.52 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 2ka0 n SER 123 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79