#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 3.05 -0.14 2.12 0.52 -1.26 -1.91 118.95 121.33 2ka0 s ARG 2 Ca 0.00 -0.62 -0.08 0.00 -0.52 0.00 0.00 55.73 54.51 2ka0 s ARG 2 Cb 0.00 -2.61 0.05 0.00 0.52 0.00 0.00 34.95 32.91 2ka0 s ARG 2 CO 0.00 -0.22 0.34 0.08 0.02 0.00 0.00 175.30 175.51 2ka0 s VAL 3 N -2.48 -0.02 -0.04 3.52 1.01 -0.07 -4.29 120.40 118.02 2ka0 s VAL 3 Ca 0.48 0.09 0.03 0.00 0.00 0.00 0.00 61.98 62.58 2ka0 s VAL 3 Cb -0.10 -0.50 -0.03 0.00 0.00 0.00 0.00 36.38 35.76 2ka0 s VAL 3 CO 0.36 0.04 -0.12 -0.70 0.00 0.00 0.00 175.10 174.68 2ka0 s GLU 4 N 1.05 2.53 -0.40 2.72 2.12 -0.15 -0.31 118.70 126.27 2ka0 s GLU 4 Ca -0.07 -0.68 -0.02 0.00 0.36 0.00 0.00 54.97 54.56 2ka0 s GLU 4 Cb -0.08 -2.43 0.11 0.00 0.26 0.00 0.00 34.13 32.00 2ka0 s GLU 4 CO -0.08 0.63 0.18 -0.51 -0.54 0.00 0.00 175.26 174.94 2ka0 s LEU 5 N -0.87 5.18 0.26 2.70 1.02 0.22 -0.21 118.68 126.98 2ka0 s LEU 5 Ca 0.12 -2.05 -0.26 0.00 0.02 0.00 0.00 54.13 51.96 2ka0 s LEU 5 Cb -0.11 -1.80 -0.09 0.00 0.02 0.00 0.00 46.19 44.21 2ka0 s LEU 5 CO 0.02 -0.52 0.89 -0.76 0.02 0.00 0.00 176.35 176.00 2ka0 s LEU 6 N 1.10 4.47 0.20 1.79 1.43 -0.38 -1.01 118.68 126.29 2ka0 s LEU 6 Ca 0.09 1.79 0.02 0.00 -1.03 0.00 0.00 54.13 54.99 2ka0 s LEU 6 Cb -0.22 -3.73 -0.05 0.00 0.03 0.00 0.00 46.19 42.22 2ka0 s LEU 6 CO -0.05 0.06 0.02 -0.36 0.23 0.00 0.00 176.35 176.25 2ka0 s PHE 7 N -1.40 1.36 0.02 0.29 0.40 -0.00 -0.76 117.98 117.88 2ka0 s PHE 7 Ca 0.44 -1.04 0.31 0.00 -0.60 0.00 0.00 56.93 56.04 2ka0 s PHE 7 Cb -0.21 -0.78 1.50 0.00 0.51 0.00 0.00 43.02 44.03 2ka0 s PHE 7 CO 0.26 -0.20 1.93 0.93 0.70 0.00 0.00 175.22 178.83 2ka0 h GLU 8 N 2.58 0.00 -0.00 0.44 4.39 -1.23 -3.07 114.58 117.68 2ka0 h GLU 8 Ca -0.37 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.33 2ka0 h GLU 8 Cb 1.22 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 2ka0 h GLU 8 CO 0.63 0.00 -0.13 0.43 -1.16 0.00 0.00 179.01 178.77 2ka0 n SER 9 N -2.64 0.71 0.00 1.42 7.64 -1.26 -5.11 113.62 114.38 2ka0 n SER 9 Ca -0.01 -0.85 0.00 0.00 1.01 0.00 0.00 58.87 59.02 2ka0 n SER 9 Cb 0.14 0.60 0.00 0.00 -1.01 0.00 0.00 64.21 63.95 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 0.79 -1.18 3.23 0.23 0.00 -1.16 -4.81 105.19 102.29 2ka0 n GLY 10 Ca 0.02 -0.79 0.04 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.06 0.29 0.43 1.61 -2.85 -1.26 -0.82 119.74 117.08 2ka0 s LYS 11 Ca 0.00 0.58 0.06 0.00 -1.00 0.00 0.00 55.97 55.61 2ka0 s LYS 11 Cb 0.00 0.33 -0.06 0.00 -2.06 0.00 0.00 37.83 36.04 2ka0 s LYS 11 CO 0.00 -0.24 0.02 0.00 0.10 0.00 0.00 175.35 175.23 2ka0 s VAL 13 N -2.73 -0.03 0.25 0.00 1.01 -0.32 -0.61 120.40 117.98 2ka0 s VAL 13 Ca 0.30 0.13 0.10 0.00 0.00 0.00 0.00 61.98 62.50 2ka0 s VAL 13 Cb 0.08 -0.06 -0.05 0.00 0.00 0.00 0.00 36.38 36.35 2ka0 s VAL 13 CO 0.15 0.06 -0.16 0.27 0.00 0.00 0.00 175.10 175.42 2ka0 s ILE 14 N 0.66 2.08 -0.10 2.22 -4.36 0.58 -2.22 121.20 120.05 2ka0 s ILE 14 Ca -0.06 -2.29 -0.05 0.00 -0.26 0.00 0.00 60.65 57.99 2ka0 s ILE 14 Cb -0.08 -2.21 0.05 0.00 1.25 0.00 0.00 42.46 41.47 2ka0 s ILE 14 CO -0.02 -0.47 0.23 1.51 0.24 0.00 0.00 174.94 176.43 2ka0 s ASP 15 N -3.42 -0.11 0.07 4.36 -4.77 -1.19 -0.90 116.67 110.71 2ka0 s ASP 15 Ca 0.27 0.49 0.05 0.00 -3.30 0.00 0.00 52.55 50.06 2ka0 s ASP 15 Cb -0.02 0.41 -0.03 0.00 -1.09 0.00 0.00 42.92 42.19 2ka0 s ASP 15 CO 0.11 -0.18 -0.15 -0.76 0.70 0.00 0.00 175.17 174.89 2ka0 s LEU 16 N 1.45 2.26 -0.10 2.11 2.01 -0.80 -1.01 118.68 124.60 2ka0 s LEU 16 Ca -0.07 -0.60 0.04 0.00 0.01 0.00 0.00 54.13 53.51 2ka0 s LEU 16 Cb -0.11 -0.58 0.28 0.00 0.01 0.00 0.00 46.19 45.79 2ka0 s LEU 16 CO -0.08 -0.04 1.03 -3.20 1.01 0.00 0.00 176.35 175.07 2ka0 n ASN 17 N 1.37 2.81 -0.50 2.29 4.05 -1.21 -3.32 115.26 120.75 2ka0 n ASN 17 Ca -0.20 -2.38 -0.03 0.00 0.45 0.00 0.00 54.58 52.41 2ka0 n ASN 17 Cb 0.54 -0.58 -0.01 0.00 1.23 0.00 0.00 39.78 40.96 2ka0 n ASN 17 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 2ka0 n GLU 18 N 0.15 -1.64 -0.08 1.20 1.02 -1.26 -4.73 120.64 115.29 2ka0 n GLU 18 Ca 0.12 0.25 0.03 0.00 -0.02 0.00 0.00 57.16 57.55 2ka0 n GLU 18 Cb 0.66 -3.80 0.07 0.00 -0.02 0.00 0.00 31.44 28.35 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 -0.42 2.90 -4.86 3.49 -0.58 -1.26 -4.74 120.64 115.16 2ka0 n GLU 19 Ca -0.03 -1.78 -0.26 0.00 -0.42 0.00 0.00 57.16 54.67 2ka0 n GLU 19 Cb 0.18 -1.14 -0.16 0.00 -0.57 0.00 0.00 31.44 29.75 2ka0 n GLU 19 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 2ka0 s TYR 20 N -1.10 1.74 0.20 -0.32 2.02 -1.26 -5.04 117.35 113.59 2ka0 s TYR 20 Ca 0.11 -0.49 -0.16 0.00 -0.37 0.00 0.00 57.07 56.16 2ka0 s TYR 20 Cb 0.06 -1.17 0.19 0.00 -0.40 0.00 0.00 41.96 40.65 2ka0 s TYR 20 CO 0.06 -0.16 1.62 1.49 -1.57 0.00 0.00 175.55 176.99 2ka0 h GLU 21 N 6.20 -0.06 -0.28 -0.62 4.57 -1.94 0.12 114.58 122.57 2ka0 h GLU 21 Ca -0.33 0.00 0.06 0.00 -1.18 0.00 0.00 59.36 57.92 2ka0 h GLU 21 Cb 1.17 0.01 -0.08 0.00 -0.16 0.00 0.00 28.75 29.70 2ka0 h GLU 21 CO 0.48 -0.04 -0.38 -0.24 -1.18 0.00 0.00 179.01 177.64 2ka0 h VAL 22 N -0.07 0.18 -0.60 0.32 3.04 -1.96 0.12 116.25 117.27 2ka0 h VAL 22 Ca 0.27 0.00 0.07 0.00 -1.01 0.00 0.00 66.70 66.03 2ka0 h VAL 22 Cb 0.49 0.18 -0.06 0.00 -2.01 0.00 0.00 31.29 29.88 2ka0 h VAL 22 CO -0.63 0.00 0.29 0.58 -1.01 0.00 0.00 177.57 176.80 2ka0 h VAL 23 N -0.37 0.89 -0.45 1.51 2.07 -1.17 0.26 116.25 118.99 2ka0 h VAL 23 Ca 0.12 -0.18 -0.06 0.00 0.82 0.00 0.00 66.70 67.40 2ka0 h VAL 23 Cb 0.58 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 2ka0 h VAL 23 CO -0.48 0.10 0.05 0.11 0.02 0.00 0.00 177.57 177.37 2ka0 h LYS 24 N 0.53 0.76 -0.00 1.57 1.57 -0.89 -3.15 116.57 116.96 2ka0 h LYS 24 Ca 0.28 -0.22 -0.17 0.00 -1.87 0.00 0.00 60.65 58.68 2ka0 h LYS 24 Cb 0.25 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 2ka0 h LYS 24 CO -0.22 0.80 -0.79 -0.07 -0.57 0.00 0.00 179.45 178.59 2ka0 h LEU 25 N 0.62 0.07 -2.27 2.94 3.38 -0.23 -2.66 115.31 117.16 2ka0 h LEU 25 Ca 0.13 -0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.08 2ka0 h LEU 25 Cb 0.42 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 2ka0 h LEU 25 CO 0.01 0.83 0.13 -0.07 0.09 0.00 0.00 178.44 179.43 2ka0 h LEU 26 N 0.03 0.00 0.00 1.67 -0.00 -0.46 -0.42 115.31 116.13 2ka0 h LEU 26 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.86 2ka0 h LEU 26 Cb 1.39 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.05 2ka0 h LEU 26 CO 0.11 0.00 0.00 1.17 -0.00 0.00 0.00 178.44 179.72 2ka0 n LYS 27 N -3.91 0.01 0.06 1.13 4.81 -1.00 -0.90 118.16 118.36 2ka0 n LYS 27 Ca 0.00 0.37 0.11 0.00 -0.87 0.00 0.00 58.31 57.92 2ka0 n LYS 27 Cb 0.24 -1.50 -0.02 0.00 0.02 0.00 0.00 35.03 33.77 2ka0 n LYS 27 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2ka0 n GLU 28 N -1.49 0.55 -1.04 1.64 -0.58 -0.17 -4.52 120.64 115.04 2ka0 n GLU 28 Ca 0.02 0.03 0.03 0.00 -0.42 0.00 0.00 57.16 56.82 2ka0 n GLU 28 Cb 0.08 -1.72 0.14 0.00 -0.57 0.00 0.00 31.44 29.37 2ka0 n GLU 28 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2ka0 n LYS 29 N -2.44 1.36 -5.00 3.49 4.76 -0.08 -4.99 118.16 115.26 2ka0 n LYS 29 Ca -0.00 -3.05 -0.28 0.00 -2.87 0.00 0.00 58.31 52.11 2ka0 n LYS 29 Cb 0.53 -1.26 -0.15 0.00 -1.84 0.00 0.00 35.03 32.31 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 -2.54 1.76 1.06 -0.18 1.01 -0.71 -3.92 121.20 117.68 2ka0 s ILE 30 Ca 0.38 -1.02 -0.11 0.00 0.00 0.00 0.00 60.65 59.89 2ka0 s ILE 30 Cb 0.38 -1.48 0.23 0.00 0.01 0.00 0.00 42.46 41.60 2ka0 s ILE 30 CO -0.09 0.44 1.08 -2.16 0.00 0.00 0.00 174.94 174.21 2ka0 s PRO 31 N -0.68 -0.12 0.17 2.79 0.04 -1.26 -4.98 135.00 130.97 2ka0 s PRO 31 Ca 0.09 1.20 -0.10 0.00 0.04 0.00 0.00 61.00 62.23 2ka0 s PRO 31 Cb -0.09 -1.62 -0.00 0.00 0.04 0.00 0.00 34.50 32.83 2ka0 s PRO 31 CO -0.00 -3.29 0.33 -0.59 0.04 0.00 0.00 177.00 173.48 2ka0 s PHE 32 N -2.52 0.33 0.24 0.56 -0.71 -0.56 -4.99 117.98 110.33 2ka0 s PHE 32 Ca 0.68 -0.69 0.08 0.00 -1.04 0.00 0.00 56.93 55.97 2ka0 s PHE 32 Cb -0.24 0.02 -0.04 0.00 -1.21 0.00 0.00 43.02 41.55 2ka0 s PHE 32 CO 0.62 -0.77 0.05 -1.21 -1.34 0.00 0.00 175.22 172.57 2ka0 s GLU 33 N -3.96 2.49 0.07 1.99 2.02 -1.26 0.05 118.70 120.10 2ka0 s GLU 33 Ca 0.17 -1.25 -0.01 0.00 0.02 0.00 0.00 54.97 53.89 2ka0 s GLU 33 Cb 0.02 -2.31 0.00 0.00 0.10 0.00 0.00 34.13 31.95 2ka0 s GLU 33 CO 0.00 0.39 0.11 0.45 0.02 0.00 0.00 175.26 176.23 2ka0 n SER 34 N -0.81 -0.30 -4.84 -0.19 2.88 -0.74 -4.96 113.62 104.66 2ka0 n SER 34 Ca -0.07 -1.33 -0.37 0.00 -1.33 0.00 0.00 58.87 55.76 2ka0 n SER 34 Cb 0.58 0.54 -0.06 0.00 -0.75 0.00 0.00 64.21 64.51 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 -2.60 5.35 -1.30 2.46 1.01 -1.26 -1.66 120.40 122.39 2ka0 s VAL 35 Ca 0.05 0.42 -0.07 0.00 0.00 0.00 0.00 61.98 62.37 2ka0 s VAL 35 Cb -0.00 -3.52 0.15 0.00 0.00 0.00 0.00 36.38 33.00 2ka0 s VAL 35 CO 0.03 0.57 2.14 0.52 0.00 0.00 0.00 175.10 178.36 2ka0 n VAL 36 N 2.25 4.84 -2.20 2.92 0.31 -1.26 -4.17 118.33 121.02 2ka0 n VAL 36 Ca -0.17 -4.39 -0.39 0.00 -0.01 0.00 0.00 64.34 59.38 2ka0 n VAL 36 Cb 0.54 -2.20 -0.01 0.00 -0.91 0.00 0.00 33.84 31.25 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 0.53 6.43 0.19 4.52 0.01 -0.85 -2.57 114.94 123.18 2ka0 s ASN 37 Ca 0.47 2.46 0.08 0.00 -0.71 0.00 0.00 52.86 55.16 2ka0 s ASN 37 Cb 0.14 -2.62 -0.04 0.00 0.41 0.00 0.00 41.25 39.14 2ka0 s ASN 37 CO -0.04 -0.75 0.00 0.42 -1.51 0.00 0.00 177.10 175.22 2ka0 s THR 38 N -1.35 3.70 -0.43 1.60 -4.23 -1.26 -0.85 115.64 112.80 2ka0 s THR 38 Ca 0.57 -1.48 0.07 0.00 -1.18 0.00 0.00 61.69 59.67 2ka0 s THR 38 Cb -0.33 -2.87 0.22 0.00 1.34 0.00 0.00 72.50 70.86 2ka0 s THR 38 CO 0.42 -0.14 0.60 1.87 -0.54 0.00 0.00 174.62 176.83 2ka0 n TRP 39 N -0.22 -1.63 -2.18 3.99 -0.00 -0.64 -4.93 117.44 111.82 2ka0 n TRP 39 Ca -0.09 -2.81 -0.02 0.00 -0.00 0.00 0.00 57.50 54.58 2ka0 n TRP 39 Cb 0.56 0.46 0.00 0.00 -0.00 0.00 0.00 31.31 32.33 2ka0 n TRP 39 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 2ka0 n GLY 40 N 1.94 -0.90 2.47 5.87 0.00 -1.26 -3.81 105.19 109.50 2ka0 n GLY 40 Ca 0.20 0.39 -0.20 0.00 0.00 0.00 0.00 46.02 46.40 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 -0.77 -1.48 -4.15 1.61 4.71 -1.26 -3.98 120.64 115.32 2ka0 n GLU 41 Ca 0.04 1.07 -0.12 0.00 -0.01 0.00 0.00 57.16 58.14 2ka0 n GLU 41 Cb 0.33 -5.54 -0.10 0.00 -1.01 0.00 0.00 31.44 25.11 2ka0 n GLU 41 CO 0.00 0.00 0.00 -1.83 0.09 0.00 0.00 177.13 175.39 2ka0 s GLU 42 N -4.36 0.79 -0.17 3.49 4.04 -1.25 -2.36 118.70 118.89 2ka0 s GLU 42 Ca 0.00 -1.22 0.00 0.00 0.04 0.00 0.00 54.97 53.79 2ka0 s GLU 42 Cb 0.00 -0.27 0.03 0.00 0.02 0.00 0.00 34.13 33.91 2ka0 s GLU 42 CO 0.00 0.01 -0.12 0.42 -1.84 0.00 0.00 175.26 173.73 2ka0 s ILE 43 N -3.10 1.52 0.37 1.83 1.01 -1.08 -1.61 121.20 120.14 2ka0 s ILE 43 Ca 0.08 -0.74 0.08 0.00 0.00 0.00 0.00 60.65 60.06 2ka0 s ILE 43 Cb 0.02 -1.52 -0.04 0.00 0.01 0.00 0.00 42.46 40.93 2ka0 s ILE 43 CO -0.03 0.32 0.20 -0.72 0.00 0.00 0.00 174.94 174.71 2ka0 s TYR 44 N 1.48 2.70 -0.03 3.97 1.13 -0.03 -2.25 117.35 124.32 2ka0 s TYR 44 Ca 0.02 -0.44 -0.17 0.00 -1.41 0.00 0.00 57.07 55.08 2ka0 s TYR 44 Cb -0.14 -1.81 0.03 0.00 -1.10 0.00 0.00 41.96 38.94 2ka0 s TYR 44 CO -0.09 0.22 0.36 -0.59 -2.51 0.00 0.00 175.55 172.94 2ka0 s PHE 45 N -2.46 -0.26 -0.65 -3.49 -0.71 -1.26 -2.02 117.98 107.13 2ka0 s PHE 45 Ca 0.40 0.44 -0.28 0.00 -1.04 0.00 0.00 56.93 56.46 2ka0 s PHE 45 Cb -0.01 0.14 0.03 0.00 -1.21 0.00 0.00 43.02 41.96 2ka0 s PHE 45 CO 0.24 -0.41 1.30 0.45 -1.34 0.00 0.00 175.22 175.46 2ka0 s SER 46 N -1.19 6.21 0.45 1.98 0.15 -1.26 -2.00 113.70 118.04 2ka0 s SER 46 Ca -0.12 -0.12 -0.20 0.00 0.70 0.00 0.00 55.95 56.21 2ka0 s SER 46 Cb -0.04 -2.55 -0.10 0.00 -1.71 0.00 0.00 66.02 61.61 2ka0 s SER 46 CO 0.05 -1.72 0.97 0.42 1.20 0.00 0.00 173.24 174.15 2ka0 s THR 47 N 5.67 4.33 -0.55 6.45 -4.23 -0.99 -4.83 115.64 121.49 2ka0 s THR 47 Ca 0.42 1.41 0.24 0.00 -1.18 0.00 0.00 61.69 62.57 2ka0 s THR 47 Cb -0.08 -3.59 0.10 0.00 1.34 0.00 0.00 72.50 70.26 2ka0 s THR 47 CO 0.20 -0.36 1.35 1.55 -0.54 0.00 0.00 174.62 176.83 2ka0 h PRO 48 N 1.74 0.00 -6.27 3.99 0.13 -1.94 -3.42 132.00 126.23 2ka0 h PRO 48 Ca -0.49 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.06 2ka0 h PRO 48 Cb 1.19 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.22 2ka0 h PRO 48 CO 0.61 0.00 0.76 0.08 -0.23 0.00 0.00 178.00 179.22 2ka0 s VAL 49 N -3.20 4.25 -0.52 1.56 1.01 -1.26 -4.91 120.40 117.31 2ka0 s VAL 49 Ca 0.05 0.69 -0.04 0.00 0.00 0.00 0.00 61.98 62.69 2ka0 s VAL 49 Cb 0.12 -4.60 0.05 0.00 0.00 0.00 0.00 36.38 31.95 2ka0 s VAL 49 CO 0.71 -1.14 2.77 -3.20 0.00 0.00 0.00 175.10 174.25 2ka0 n ASN 50 N 7.81 6.58 -4.85 3.32 2.85 -1.26 -4.91 115.26 124.80 2ka0 n ASN 50 Ca 0.06 -3.17 -0.32 0.00 -0.11 0.00 0.00 54.58 51.05 2ka0 n ASN 50 Cb 0.48 -1.25 -0.02 0.00 1.24 0.00 0.00 39.78 40.23 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 -1.98 4.61 0.00 3.44 0.11 -1.26 -5.02 120.40 120.29 2ka0 s VAL 51 Ca 0.59 1.06 0.00 0.00 -2.93 0.00 0.00 61.98 60.70 2ka0 s VAL 51 Cb 0.36 -3.76 0.00 0.00 -1.53 0.00 0.00 36.38 31.45 2ka0 s VAL 51 CO -0.20 -0.78 0.28 0.00 -3.33 0.00 0.00 175.10 171.07 2ka0 n GLN 52 N -1.83 0.08 -1.68 1.54 0.00 -1.26 -4.90 117.38 109.33 2ka0 n GLN 52 Ca 0.06 -0.30 -0.38 0.00 0.00 0.00 0.00 57.00 56.38 2ka0 n GLN 52 Cb 0.54 -0.55 -0.03 0.00 0.00 0.00 0.00 30.24 30.20 2ka0 n GLN 52 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.06 177.27 2ka0 s LYS 53 N -0.04 2.45 -0.22 2.61 2.20 -1.26 -4.92 119.74 120.55 2ka0 s LYS 53 Ca 0.00 1.37 -0.14 0.00 -0.36 0.00 0.00 55.97 56.83 2ka0 s LYS 53 Cb 0.00 -4.49 -0.04 0.00 -1.51 0.00 0.00 37.83 31.79 2ka0 s LYS 53 CO 0.00 -2.89 0.33 0.00 -0.36 0.00 0.00 175.35 172.43 2ka0 s MET 54 N 7.55 4.13 -0.09 4.03 0.23 -1.26 -4.62 119.30 129.27 2ka0 s MET 54 Ca 0.91 0.06 0.17 0.00 -1.03 0.00 0.00 55.69 55.80 2ka0 s MET 54 Cb -0.19 -3.55 -0.26 0.00 -1.53 0.00 0.00 34.83 29.30 2ka0 s MET 54 CO 0.27 -0.04 0.26 0.39 -2.03 0.00 0.00 175.02 173.87 2ka0 n GLU 55 N 4.52 0.83 -2.64 3.16 -0.58 -1.26 -4.58 120.64 120.09 2ka0 n GLU 55 Ca -0.10 -0.10 -0.30 0.00 -0.42 0.00 0.00 57.16 56.23 2ka0 n GLU 55 Cb 0.51 -1.45 -0.01 0.00 -0.57 0.00 0.00 31.44 29.93 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 -2.37 5.32 -4.70 1.62 5.15 -1.26 -5.06 115.26 113.96 2ka0 n ASN 56 Ca -0.14 -3.72 -0.42 0.00 -0.60 0.00 0.00 54.58 49.70 2ka0 n ASN 56 Cb 0.74 -0.67 -0.03 0.00 -0.53 0.00 0.00 39.78 39.29 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 -3.69 4.20 -0.04 1.20 0.04 -1.26 -2.24 135.00 133.21 2ka0 s PRO 57 Ca 0.48 2.35 0.00 0.00 0.04 0.00 0.00 61.00 63.87 2ka0 s PRO 57 Cb 0.32 -3.43 0.02 0.00 0.04 0.00 0.00 34.50 31.45 2ka0 s PRO 57 CO -0.18 -0.69 -0.02 1.03 0.04 0.00 0.00 177.00 177.18 2ka0 s ARG 58 N 2.09 0.57 0.00 4.56 1.81 0.20 -4.95 118.95 123.23 2ka0 s ARG 58 Ca 0.73 0.01 0.27 0.00 -1.72 0.00 0.00 55.73 55.02 2ka0 s ARG 58 Cb -0.41 -0.72 0.95 0.00 -0.45 0.00 0.00 34.95 34.32 2ka0 s ARG 58 CO 0.32 -0.14 1.69 0.39 -0.68 0.00 0.00 175.30 176.87 2ka0 n GLU 59 N 4.29 1.73 -3.96 3.54 1.02 -1.26 -3.85 120.64 122.15 2ka0 n GLU 59 Ca -0.22 -1.06 -0.13 0.00 -0.02 0.00 0.00 57.16 55.74 2ka0 n GLU 59 Cb 0.50 -1.47 -0.14 0.00 -0.02 0.00 0.00 31.44 30.32 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 -1.98 0.13 0.26 2.62 1.01 -1.26 -4.34 120.40 116.85 2ka0 s VAL 60 Ca 0.37 -0.21 0.02 0.00 0.00 0.00 0.00 61.98 62.16 2ka0 s VAL 60 Cb 0.21 -0.15 -0.03 0.00 0.00 0.00 0.00 36.38 36.41 2ka0 s VAL 60 CO 0.33 -0.05 0.22 0.68 0.00 0.00 0.00 175.10 176.28 2ka0 s VAL 61 N -0.26 0.00 0.42 2.92 -7.23 -1.16 -5.02 120.40 110.06 2ka0 s VAL 61 Ca -0.02 -1.95 0.06 0.00 -1.81 0.00 0.00 61.98 58.26 2ka0 s VAL 61 Cb -0.02 -2.50 0.06 0.00 0.56 0.00 0.00 36.38 34.49 2ka0 s VAL 61 CO -0.00 0.00 0.54 -0.62 -0.31 0.00 0.00 175.10 174.71 2ka0 n GLU 62 N -0.44 0.74 -0.02 4.82 1.02 -1.26 -4.64 120.64 120.87 2ka0 n GLU 62 Ca 0.04 -2.31 0.13 0.00 -0.02 0.00 0.00 57.16 55.00 2ka0 n GLU 62 Cb 0.64 -0.10 0.59 0.00 -0.02 0.00 0.00 31.44 32.55 2ka0 n GLU 62 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2ka0 n ILE 63 N -1.84 0.05 -2.73 -3.67 5.41 -1.26 -4.14 119.36 111.17 2ka0 n ILE 63 Ca 0.10 -0.18 -0.04 0.00 1.00 0.00 0.00 62.75 63.62 2ka0 n ILE 63 Cb 0.44 0.15 0.07 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 1.08 1.68 3.57 7.39 0.00 -1.25 -3.94 105.19 113.72 2ka0 n GLY 64 Ca 0.19 -0.77 -0.26 0.00 0.00 0.00 0.00 46.02 45.18 2ka0 n GLY 64 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ka0 s ASP 65 N -2.59 3.12 0.08 1.61 1.01 -1.26 -1.04 116.67 117.59 2ka0 s ASP 65 Ca 0.22 -1.54 0.08 0.00 0.71 0.00 0.00 52.55 52.02 2ka0 s ASP 65 Cb 0.40 0.22 -0.03 0.00 1.01 0.00 0.00 42.92 44.52 2ka0 s ASP 65 CO -0.05 -0.75 -0.22 -0.69 0.21 0.00 0.00 175.17 173.67 2ka0 s VAL 66 N -3.09 1.76 0.04 -1.27 1.01 -0.50 -3.72 120.40 114.62 2ka0 s VAL 66 Ca 0.25 -1.41 0.02 0.00 0.00 0.00 0.00 61.98 60.85 2ka0 s VAL 66 Cb 0.05 -1.56 -0.02 0.00 0.00 0.00 0.00 36.38 34.85 2ka0 s VAL 66 CO 0.13 0.09 -0.08 -0.83 0.00 0.00 0.00 175.10 174.40 2ka0 s GLY 67 N -1.57 0.50 0.02 4.51 0.00 -1.13 -3.72 107.32 105.93 2ka0 s GLY 67 Ca 0.08 -0.68 -0.13 0.00 0.00 0.00 0.00 44.72 43.98 2ka0 s GLY 67 CO 0.03 -0.71 0.40 -0.47 0.00 0.00 0.00 173.10 172.35 2ka0 s TYR 68 N -1.10 3.68 -0.73 1.90 5.04 -1.24 -1.22 117.35 123.68 2ka0 s TYR 68 Ca -0.06 0.92 -0.02 0.00 -2.44 0.00 0.00 57.07 55.47 2ka0 s TYR 68 Cb -0.08 -2.24 0.18 0.00 0.35 0.00 0.00 41.96 40.17 2ka0 s TYR 68 CO 0.00 0.61 0.56 -0.46 -1.34 0.00 0.00 175.55 174.92 2ka0 s TRP 69 N -1.18 3.58 0.36 4.97 -0.00 0.44 -4.02 118.94 123.09 2ka0 s TRP 69 Ca 0.26 -2.90 0.07 0.00 -0.00 0.00 0.00 56.10 53.53 2ka0 s TRP 69 Cb -0.16 -3.16 0.69 0.00 -0.00 0.00 0.00 33.47 30.84 2ka0 s TRP 69 CO 0.14 -0.77 1.89 -1.00 -0.00 0.00 0.00 176.95 177.21 2ka0 h PRO 70 N 6.49 0.37 0.00 5.86 0.13 -1.91 -1.15 132.00 141.80 2ka0 h PRO 70 Ca 0.06 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 2ka0 h PRO 70 Cb 0.88 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.96 2ka0 h PRO 70 CO 0.76 0.47 0.00 -0.35 -0.23 0.00 0.00 178.00 178.65 2ka0 n PRO 71 N -4.27 0.19 0.00 1.56 -0.04 -1.26 -1.93 135.00 129.24 2ka0 n PRO 71 Ca 0.00 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 2ka0 n PRO 71 Cb 0.27 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.23 2ka0 n PRO 71 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ka0 n GLY 72 N 0.47 1.69 2.80 0.55 0.00 -1.14 -5.02 105.19 104.54 2ka0 n GLY 72 Ca 0.08 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.38 -3.20 -4.51 1.61 4.01 -0.81 -4.93 118.16 109.95 2ka0 n LYS 73 Ca 0.00 0.77 -0.24 0.00 -0.51 0.00 0.00 58.31 58.33 2ka0 n LYS 73 Cb 0.27 -5.49 -0.11 0.00 -0.51 0.00 0.00 35.03 29.19 2ka0 n LYS 73 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2ka0 s ALA 74 N -2.96 2.68 0.98 7.82 0.00 -0.49 -2.33 121.76 127.46 2ka0 s ALA 74 Ca 0.18 -2.11 -0.06 0.00 0.00 0.00 0.00 51.96 49.96 2ka0 s ALA 74 Cb -0.09 0.33 0.09 0.00 0.00 0.00 0.00 23.12 23.45 2ka0 s ALA 74 CO 0.22 -0.16 0.53 -0.11 0.00 0.00 0.00 175.76 176.25 2ka0 n LEU 75 N -0.77 0.00 -3.67 0.00 7.94 -0.85 -0.42 117.00 119.24 2ka0 n LEU 75 Ca -0.04 -0.60 -0.14 0.00 -1.11 0.00 0.00 56.01 54.12 2ka0 n LEU 75 Cb 0.66 -0.41 -0.08 0.00 0.53 0.00 0.00 43.42 44.12 2ka0 n LEU 75 CO 0.44 -0.88 0.23 0.00 -1.11 0.00 0.00 177.39 176.07 2ka0 s LEU 77 N -0.29 1.31 0.02 0.00 1.43 -0.95 -2.85 118.68 117.36 2ka0 s LEU 77 Ca -0.05 -1.22 -0.22 0.00 -1.03 0.00 0.00 54.13 51.62 2ka0 s LEU 77 Cb -0.03 -0.59 -0.06 0.00 0.03 0.00 0.00 46.19 45.54 2ka0 s LEU 77 CO 0.03 -0.38 0.64 -0.36 0.23 0.00 0.00 176.35 176.51 2ka0 s PHE 78 N 1.86 3.72 0.00 0.29 0.08 -1.24 -2.63 117.98 120.06 2ka0 s PHE 78 Ca 0.06 1.29 0.00 0.00 0.12 0.00 0.00 56.93 58.40 2ka0 s PHE 78 Cb -0.17 -2.65 0.00 0.00 -0.57 0.00 0.00 43.02 39.63 2ka0 s PHE 78 CO -0.22 0.37 0.28 1.97 -0.10 0.00 0.00 175.22 177.52 2ka0 n PHE 79 N 2.57 0.00 0.00 0.36 -1.74 -0.99 -3.88 117.46 113.77 2ka0 n PHE 79 Ca -0.06 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.83 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 0.35 4.97 0.00 -1.25 -5.00 105.19 102.44 2ka0 n GLY 80 Ca 0.00 0.86 0.05 0.00 0.00 0.00 0.00 46.02 46.92 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 -0.71 -3.58 1.61 0.00 -1.26 -4.91 118.16 109.31 2ka0 n LYS 81 Ca 0.00 0.48 -0.11 0.00 0.00 0.00 0.00 58.31 58.68 2ka0 n LYS 81 Cb 0.00 -0.87 -0.04 0.00 0.00 0.00 0.00 35.03 34.12 2ka0 n LYS 81 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 2ka0 s THR 82 N -1.39 0.05 0.34 3.15 -4.23 -1.26 -4.50 115.64 107.79 2ka0 s THR 82 Ca 0.00 -0.43 0.18 0.00 -1.18 0.00 0.00 61.69 60.26 2ka0 s THR 82 Cb 0.00 -1.12 0.16 0.00 1.34 0.00 0.00 72.50 72.87 2ka0 s THR 82 CO 0.00 -0.24 1.87 1.55 -0.54 0.00 0.00 174.62 177.26 2ka0 h PRO 83 N 2.27 0.00 -1.25 3.99 0.13 -1.85 -2.77 132.00 132.53 2ka0 h PRO 83 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2ka0 h PRO 83 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2ka0 h PRO 83 CO 0.45 0.30 0.00 -0.12 -0.23 0.00 0.00 178.00 178.40 2ka0 n MET 84 N -3.85 0.93 -3.95 0.86 1.56 -1.26 -4.77 117.12 106.64 2ka0 n MET 84 Ca -0.01 0.00 -0.10 0.00 -0.27 0.00 0.00 57.70 57.32 2ka0 n MET 84 Cb 0.38 -1.03 -0.06 0.00 2.15 0.00 0.00 33.22 34.65 2ka0 n MET 84 CO 0.00 0.00 0.00 -1.54 -0.73 0.00 0.00 175.97 173.70 2ka0 s SER 85 N 1.20 -0.01 0.18 6.12 1.04 -1.05 -4.36 113.70 116.81 2ka0 s SER 85 Ca 0.00 -0.86 0.00 0.00 0.48 0.00 0.00 55.95 55.57 2ka0 s SER 85 Cb 0.00 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.59 2ka0 s SER 85 CO 0.00 -0.95 0.00 -0.67 0.98 0.00 0.00 173.24 172.60 2ka0 n ASP 86 N -0.26 0.01 -0.05 7.02 2.03 -1.26 -4.90 116.55 119.14 2ka0 n ASP 86 Ca -0.06 0.30 -0.02 0.00 0.52 0.00 0.00 54.79 55.53 2ka0 n ASP 86 Cb 0.63 0.20 -0.01 0.00 -0.72 0.00 0.00 41.12 41.23 2ka0 n ASP 86 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 2ka0 h ASP 87 N 0.00 0.00 -4.28 1.67 5.19 -1.99 -3.48 116.42 113.53 2ka0 h ASP 87 Ca 0.00 0.00 -0.63 0.00 -0.62 0.00 0.00 57.03 55.78 2ka0 h ASP 87 Cb 0.05 0.00 -0.26 0.00 0.18 0.00 0.00 39.33 39.31 2ka0 h ASP 87 CO 0.00 0.50 -0.86 -1.59 -3.12 0.00 0.00 179.24 174.18 2ka0 s LYS 88 N -1.70 1.53 -0.03 3.56 -2.85 -1.26 -5.08 119.74 113.92 2ka0 s LYS 88 Ca -0.05 -1.02 -0.30 0.00 -1.00 0.00 0.00 55.97 53.60 2ka0 s LYS 88 Cb 0.01 -1.69 -0.09 0.00 -2.06 0.00 0.00 37.83 34.01 2ka0 s LYS 88 CO 0.08 0.43 2.02 -0.89 0.10 0.00 0.00 175.35 177.09 2ka0 n ILE 89 N 1.78 0.67 -4.35 3.79 5.41 -1.26 -4.75 119.36 120.65 2ka0 n ILE 89 Ca -0.17 -0.20 -0.19 0.00 1.00 0.00 0.00 62.75 63.19 2ka0 n ILE 89 Cb 0.53 -2.31 -0.13 0.00 -0.71 0.00 0.00 39.64 37.01 2ka0 n ILE 89 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 2ka0 s GLN 90 N 4.82 0.89 1.03 0.38 -0.21 -1.26 -3.00 119.66 122.30 2ka0 s GLN 90 Ca 0.92 -0.69 -0.16 0.00 0.02 0.00 0.00 55.36 55.45 2ka0 s GLN 90 Cb -0.45 -0.87 0.21 0.00 1.00 0.00 0.00 33.01 32.90 2ka0 s GLN 90 CO 0.42 0.22 1.18 -1.25 -2.12 0.00 0.00 175.29 173.74 2ka0 s PRO 91 N -1.01 0.15 0.00 2.91 0.04 -1.26 -4.39 135.00 131.44 2ka0 s PRO 91 Ca 0.01 -0.04 0.21 0.00 0.04 0.00 0.00 61.00 61.21 2ka0 s PRO 91 Cb -0.07 -1.75 0.99 0.00 0.04 0.00 0.00 34.50 33.70 2ka0 s PRO 91 CO 0.01 -2.80 1.66 0.00 0.04 0.00 0.00 177.00 175.90 2ka0 n ALA 92 N -4.12 2.04 -3.73 8.56 0.00 -1.26 -4.88 120.51 117.12 2ka0 n ALA 92 Ca 0.11 -0.09 0.09 0.00 0.00 0.00 0.00 53.44 53.56 2ka0 n ALA 92 Cb 0.59 -1.33 0.01 0.00 0.00 0.00 0.00 19.45 18.72 2ka0 n ALA 92 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2ka0 n SER 93 N -1.35 -1.18 -3.97 0.00 2.88 -1.26 -5.03 113.62 103.71 2ka0 n SER 93 Ca 0.08 -1.50 -0.36 0.00 -1.33 0.00 0.00 58.87 55.76 2ka0 n SER 93 Cb 0.19 1.89 -0.08 0.00 -0.75 0.00 0.00 64.21 65.46 2ka0 n SER 93 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2ka0 n ALA 94 N -1.33 2.01 -0.99 -1.46 0.00 -1.26 -4.80 120.51 112.69 2ka0 n ALA 94 Ca -0.10 -2.98 -0.15 0.00 0.00 0.00 0.00 53.44 50.22 2ka0 n ALA 94 Cb 0.45 -3.59 0.19 0.00 0.00 0.00 0.00 19.45 16.51 2ka0 n ALA 94 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2ka0 n VAL 95 N 7.07 0.00 -3.79 0.00 0.24 -1.25 -4.70 118.33 115.90 2ka0 n VAL 95 Ca 0.47 -0.33 -0.19 0.00 -2.04 0.00 0.00 64.34 62.25 2ka0 n VAL 95 Cb 0.43 -1.13 -0.17 0.00 -1.47 0.00 0.00 33.84 31.50 2ka0 n VAL 95 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2ka0 s ASN 96 N -3.64 0.84 -1.31 -1.34 4.22 -1.26 -0.62 114.94 111.83 2ka0 s ASN 96 Ca 0.53 0.01 -0.16 0.00 -2.14 0.00 0.00 52.86 51.09 2ka0 s ASN 96 Cb -0.06 -0.21 0.01 0.00 1.28 0.00 0.00 41.25 42.27 2ka0 s ASN 96 CO 0.41 -0.17 2.06 0.52 -2.04 0.00 0.00 177.10 177.88 2ka0 n VAL 97 N 4.73 3.24 0.57 3.54 0.31 -0.95 -3.64 118.33 126.12 2ka0 n VAL 97 Ca -0.15 -2.99 0.11 0.00 -0.01 0.00 0.00 64.34 61.31 2ka0 n VAL 97 Cb 0.50 -2.49 0.06 0.00 -0.91 0.00 0.00 33.84 31.00 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 5.65 0.21 -4.20 2.52 -5.35 -1.24 -4.92 119.36 112.02 2ka0 n ILE 98 Ca 0.51 -0.25 -0.14 0.00 -0.27 0.00 0.00 62.75 62.60 2ka0 n ILE 98 Cb 0.41 0.13 -0.09 0.00 -1.74 0.00 0.00 39.64 38.36 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 -3.65 1.64 0.41 3.28 0.00 -1.26 -3.36 107.32 104.38 2ka0 s GLY 99 Ca 0.04 -1.73 0.03 0.00 0.00 0.00 0.00 44.72 43.07 2ka0 s GLY 99 CO 0.78 -1.32 0.07 1.25 0.00 0.00 0.00 173.10 173.87 2ka0 s LYS 100 N -3.84 1.93 -0.91 2.90 2.47 -0.18 -1.41 119.74 120.69 2ka0 s LYS 100 Ca 0.37 -2.16 -0.02 0.00 -1.56 0.00 0.00 55.97 52.61 2ka0 s LYS 100 Cb 0.04 -1.02 0.24 0.00 -1.46 0.00 0.00 37.83 35.64 2ka0 s LYS 100 CO 0.17 -0.33 0.90 -0.89 0.16 0.00 0.00 175.35 175.37 2ka0 n ILE 101 N -0.95 3.38 0.20 5.43 5.41 -0.21 -3.20 119.36 129.42 2ka0 n ILE 101 Ca -0.08 -5.26 0.04 0.00 1.00 0.00 0.00 62.75 58.45 2ka0 n ILE 101 Cb 0.66 -2.32 0.40 0.00 -0.71 0.00 0.00 39.64 37.66 2ka0 n ILE 101 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 176.55 178.17 2ka0 h VAL 102 N 3.82 1.17 -3.74 1.39 3.04 -1.71 -3.43 116.25 116.79 2ka0 h VAL 102 Ca 0.17 -1.18 -0.09 0.00 -1.01 0.00 0.00 66.70 64.59 2ka0 h VAL 102 Cb 0.77 1.65 -0.15 0.00 -2.01 0.00 0.00 31.29 31.55 2ka0 h VAL 102 CO 0.93 0.33 -0.39 -1.61 -1.01 0.00 0.00 177.57 175.83 2ka0 s GLU 103 N -4.19 0.79 0.00 4.17 2.02 -1.03 -5.01 118.70 115.45 2ka0 s GLU 103 Ca -0.03 -0.86 0.00 0.00 0.02 0.00 0.00 54.97 54.10 2ka0 s GLU 103 Cb 0.14 0.32 0.00 0.00 0.10 0.00 0.00 34.13 34.69 2ka0 s GLU 103 CO 0.71 -0.24 0.00 0.41 0.02 0.00 0.00 175.26 176.16 2ka0 n GLY 104 N 0.19 0.78 0.08 -1.39 0.00 -1.26 -1.17 105.19 102.42 2ka0 n GLY 104 Ca -0.16 -0.30 -0.07 0.00 0.00 0.00 0.00 46.02 45.49 2ka0 n GLY 104 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2ka0 n LEU 105 N -1.37 1.79 0.18 0.99 -0.00 -1.26 -4.59 117.00 112.74 2ka0 n LEU 105 Ca 0.00 0.47 0.04 0.00 -0.00 0.00 0.00 56.01 56.52 2ka0 n LEU 105 Cb 0.47 -0.79 0.35 0.00 -0.00 0.00 0.00 43.42 43.45 2ka0 n LEU 105 CO 0.00 -0.38 0.68 -0.33 -0.00 0.00 0.00 177.39 177.36 2ka0 h GLU 106 N -0.95 0.00 0.00 1.96 5.08 -1.96 -1.98 114.58 116.72 2ka0 h GLU 106 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2ka0 h GLU 106 Cb 0.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 2ka0 h GLU 106 CO 0.00 0.40 0.00 -3.47 -1.00 0.00 0.00 179.01 174.94 2ka0 n ASP 107 N -3.74 0.00 0.03 1.42 2.03 -1.26 -3.19 116.55 111.84 2ka0 n ASP 107 Ca -0.01 -0.64 -0.16 0.00 0.52 0.00 0.00 54.79 54.49 2ka0 n ASP 107 Cb 0.48 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.74 2ka0 n ASP 107 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2ka0 h LEU 108 N 0.00 0.31 -1.14 -2.67 3.38 -1.60 -3.37 115.31 110.22 2ka0 h LEU 108 Ca 0.00 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.42 2ka0 h LEU 108 Cb 0.00 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.65 2ka0 h LEU 108 CO 0.00 1.48 0.00 0.29 0.09 0.00 0.00 178.44 180.30 2ka0 n LYS 109 N -3.37 0.13 -0.02 1.13 4.01 -1.19 -1.92 118.16 116.92 2ka0 n LYS 109 Ca -0.21 0.58 0.09 0.00 -0.51 0.00 0.00 58.31 58.25 2ka0 n LYS 109 Cb 1.05 -1.89 0.09 0.00 -0.51 0.00 0.00 35.03 33.76 2ka0 n LYS 109 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65 2ka0 n LYS 110 N -2.17 1.52 -2.46 1.97 -0.00 -1.26 -4.99 118.16 110.77 2ka0 n LYS 110 Ca -0.01 -1.60 -0.30 0.00 -0.00 0.00 0.00 58.31 56.40 2ka0 n LYS 110 Cb 0.07 -1.34 -0.01 0.00 -0.00 0.00 0.00 35.03 33.75 2ka0 n LYS 110 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2ka0 s ILE 111 N -1.40 4.75 0.46 0.58 -1.09 -0.81 -4.91 121.20 118.77 2ka0 s ILE 111 Ca 0.22 0.70 0.07 0.00 -2.23 0.00 0.00 60.65 59.41 2ka0 s ILE 111 Cb 0.15 -3.80 -0.01 0.00 -1.58 0.00 0.00 42.46 37.22 2ka0 s ILE 111 CO 0.22 -0.79 0.33 -0.54 -1.23 0.00 0.00 174.94 172.93 2ka0 s LYS 112 N -4.44 2.36 0.00 2.79 -0.14 -1.26 -5.02 119.74 114.03 2ka0 s LYS 112 Ca 0.53 -1.77 0.00 0.00 -1.36 0.00 0.00 55.97 53.36 2ka0 s LYS 112 Cb -0.10 -2.18 0.00 0.00 -1.68 0.00 0.00 37.83 33.87 2ka0 s LYS 112 CO 0.40 -0.31 0.43 -3.47 -0.76 0.00 0.00 175.35 171.65 2ka0 n ASP 113 N -1.53 0.09 0.00 2.83 -0.08 -1.25 -3.86 116.55 112.75 2ka0 n ASP 113 Ca 0.01 -0.96 0.00 0.00 -1.51 0.00 0.00 54.79 52.33 2ka0 n ASP 113 Cb 0.63 -0.05 0.00 0.00 2.34 0.00 0.00 41.12 44.05 2ka0 n ASP 113 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2ka0 n GLY 114 N 0.03 -2.04 1.80 0.27 0.00 -1.06 -3.84 105.19 100.35 2ka0 n GLY 114 Ca 0.00 0.98 -0.20 0.00 0.00 0.00 0.00 46.02 46.80 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 3.12 -3.54 1.61 -0.58 -1.25 -4.86 120.64 115.14 2ka0 n GLU 115 Ca 0.00 -3.89 -0.26 0.00 -0.42 0.00 0.00 57.16 52.59 2ka0 n GLU 115 Cb 0.00 -2.16 0.01 0.00 -0.57 0.00 0.00 31.44 28.73 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 -0.82 -1.72 -2.25 3.49 5.02 -1.26 -0.93 118.16 119.69 2ka0 n LYS 116 Ca 0.42 1.18 -0.40 0.00 -2.02 0.00 0.00 58.31 57.49 2ka0 n LYS 116 Cb 0.91 -2.85 -0.03 0.00 -0.02 0.00 0.00 35.03 33.04 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 -2.44 3.54 -0.71 -0.18 0.11 -0.67 -4.37 120.40 115.68 2ka0 s VAL 117 Ca 0.15 0.34 -0.26 0.00 -2.93 0.00 0.00 61.98 59.29 2ka0 s VAL 117 Cb -0.02 -4.31 0.04 0.00 -1.53 0.00 0.00 36.38 30.56 2ka0 s VAL 117 CO 0.86 -1.23 1.18 0.00 -3.33 0.00 0.00 175.10 172.59 2ka0 s ALA 118 N 7.52 2.86 0.17 1.54 0.00 0.06 -1.79 121.76 132.12 2ka0 s ALA 118 Ca 0.55 -1.49 -0.30 0.00 0.00 0.00 0.00 51.96 50.72 2ka0 s ALA 118 Cb -0.11 -4.14 -0.07 0.00 0.00 0.00 0.00 23.12 18.80 2ka0 s ALA 118 CO 0.20 -3.12 1.09 0.08 0.00 0.00 0.00 175.76 174.01 2ka0 s VAL 119 N 5.23 3.93 0.32 0.00 1.01 0.11 -1.25 120.40 129.75 2ka0 s VAL 119 Ca 0.31 1.66 0.06 0.00 0.00 0.00 0.00 61.98 64.02 2ka0 s VAL 119 Cb -0.11 -4.06 -0.03 0.00 0.00 0.00 0.00 36.38 32.19 2ka0 s VAL 119 CO 0.14 0.28 0.28 -0.13 0.00 0.00 0.00 175.10 175.67 2ka0 s ARG 120 N -0.32 1.73 0.00 2.72 0.52 0.70 -1.49 118.95 122.81 2ka0 s ARG 120 Ca 0.49 -1.97 0.18 0.00 -0.52 0.00 0.00 55.73 53.90 2ka0 s ARG 120 Cb -0.29 0.33 1.05 0.00 0.52 0.00 0.00 34.95 36.56 2ka0 s ARG 120 CO 0.34 -0.64 1.57 1.19 0.02 0.00 0.00 175.30 177.78 2ka0 n PHE 121 N -0.59 0.00 -4.05 -0.53 3.72 -1.26 -0.97 117.46 113.77 2ka0 n PHE 121 Ca 0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.47 2ka0 n PHE 121 Cb 0.62 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.16 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 -0.82 0.00 -3.66 4.37 0.00 -1.26 -3.58 120.51 115.56 2ka0 n ALA 122 Ca 0.13 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.35 2ka0 n ALA 122 Cb 0.06 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.56 2ka0 n ALA 122 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2ka0 n SER 123 N -3.19 -2.79 0.00 0.00 3.41 -1.26 -4.92 113.62 104.88 2ka0 n SER 123 Ca 0.00 -0.72 0.07 0.00 -0.26 0.00 0.00 58.87 57.96 2ka0 n SER 123 Cb 0.00 -4.44 0.42 0.00 -0.26 0.00 0.00 64.21 59.93 2ka0 n SER 123 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34