#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 1.89 -0.12 2.12 1.81 -1.26 -0.61 118.95 122.78 2ka0 s ARG 2 Ca 0.00 1.16 -0.18 0.00 -1.72 0.00 0.00 55.73 55.00 2ka0 s ARG 2 Cb 0.00 -1.86 0.04 0.00 -0.45 0.00 0.00 34.95 32.69 2ka0 s ARG 2 CO 0.00 -1.90 0.45 0.08 -0.68 0.00 0.00 175.30 173.25 2ka0 s VAL 3 N -2.87 0.01 -0.16 3.52 1.01 -0.49 -4.45 120.40 116.98 2ka0 s VAL 3 Ca 0.62 -0.11 -0.03 0.00 0.00 0.00 0.00 61.98 62.46 2ka0 s VAL 3 Cb -0.18 -0.68 0.05 0.00 0.00 0.00 0.00 36.38 35.57 2ka0 s VAL 3 CO 0.57 -0.06 0.04 -0.70 0.00 0.00 0.00 175.10 174.94 2ka0 s GLU 4 N -0.29 0.51 -0.86 2.72 2.12 0.56 -0.81 118.70 122.66 2ka0 s GLU 4 Ca -0.04 -0.22 -0.19 0.00 0.36 0.00 0.00 54.97 54.87 2ka0 s GLU 4 Cb -0.03 -1.76 0.12 0.00 0.26 0.00 0.00 34.13 32.71 2ka0 s GLU 4 CO 0.03 -0.56 1.08 -0.51 -0.54 0.00 0.00 175.26 174.75 2ka0 s LEU 5 N 1.94 4.96 0.55 2.70 1.02 0.48 -1.09 118.68 129.25 2ka0 s LEU 5 Ca 0.01 -1.83 -0.18 0.00 0.02 0.00 0.00 54.13 52.15 2ka0 s LEU 5 Cb -0.16 -2.40 -0.05 0.00 0.02 0.00 0.00 46.19 43.60 2ka0 s LEU 5 CO -0.07 -1.13 1.06 -0.76 0.02 0.00 0.00 176.35 175.47 2ka0 s LEU 6 N 2.92 3.65 0.39 1.79 1.43 -0.19 -0.72 118.68 127.94 2ka0 s LEU 6 Ca 0.30 1.92 0.04 0.00 -1.03 0.00 0.00 54.13 55.35 2ka0 s LEU 6 Cb -0.08 -4.55 -0.03 0.00 0.03 0.00 0.00 46.19 41.56 2ka0 s LEU 6 CO -0.05 -1.06 0.15 -0.36 0.23 0.00 0.00 176.35 175.25 2ka0 s PHE 7 N -2.18 1.77 0.11 0.29 0.40 0.37 -0.18 117.98 118.55 2ka0 s PHE 7 Ca 0.66 -1.34 -0.16 0.00 -0.60 0.00 0.00 56.93 55.50 2ka0 s PHE 7 Cb -0.17 -1.08 -0.05 0.00 0.51 0.00 0.00 43.02 42.23 2ka0 s PHE 7 CO 0.30 -0.38 1.55 0.93 0.70 0.00 0.00 175.22 178.31 2ka0 h GLU 8 N 1.86 0.59 0.00 0.44 4.39 -1.24 -3.33 114.58 117.29 2ka0 h GLU 8 Ca -0.34 -0.19 0.00 0.00 0.34 0.00 0.00 59.36 59.17 2ka0 h GLU 8 Cb 1.27 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 2ka0 h GLU 8 CO 0.54 0.72 -0.47 0.77 -1.16 0.00 0.00 179.01 179.40 2ka0 h SER 9 N 0.40 0.00 0.00 1.42 0.02 -1.87 -3.50 113.55 110.02 2ka0 h SER 9 Ca 0.10 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 2ka0 h SER 9 Cb 0.45 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.99 2ka0 h SER 9 CO 0.02 0.07 0.00 0.61 -1.14 0.00 0.00 176.83 176.39 2ka0 n GLY 10 N 1.31 -0.93 3.63 -3.77 0.00 -1.25 -4.94 105.19 99.24 2ka0 n GLY 10 Ca 0.04 -0.71 -0.12 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.01 0.78 0.11 1.61 0.00 -1.26 -0.48 119.74 120.49 2ka0 s LYS 11 Ca 0.00 1.00 -0.01 0.00 0.00 0.00 0.00 55.97 56.96 2ka0 s LYS 11 Cb 0.00 0.34 -0.04 0.00 0.00 0.00 0.00 37.83 38.13 2ka0 s LYS 11 CO 0.00 -0.10 0.04 0.00 0.00 0.00 0.00 175.35 175.29 2ka0 s VAL 13 N -4.02 0.88 -0.12 0.00 1.01 -0.27 -0.38 120.40 117.49 2ka0 s VAL 13 Ca 0.20 -0.63 -0.06 0.00 0.00 0.00 0.00 61.98 61.49 2ka0 s VAL 13 Cb 0.08 -1.20 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 2ka0 s VAL 13 CO -0.01 -0.04 0.11 0.27 0.00 0.00 0.00 175.10 175.43 2ka0 s ILE 14 N 1.71 5.22 -0.34 2.22 -4.36 0.01 -2.90 121.20 122.77 2ka0 s ILE 14 Ca -0.01 0.10 -0.07 0.00 -0.26 0.00 0.00 60.65 60.42 2ka0 s ILE 14 Cb -0.16 -3.27 0.04 0.00 1.25 0.00 0.00 42.46 40.32 2ka0 s ILE 14 CO -0.07 0.60 0.11 -0.62 0.24 0.00 0.00 174.94 175.20 2ka0 s ASP 15 N -0.90 5.33 -0.21 4.36 2.15 -0.07 -1.39 116.67 125.94 2ka0 s ASP 15 Ca 0.14 -1.10 -0.05 0.00 0.43 0.00 0.00 52.55 51.97 2ka0 s ASP 15 Cb -0.12 -1.88 -0.02 0.00 -0.30 0.00 0.00 42.92 40.60 2ka0 s ASP 15 CO 0.03 -0.32 -0.02 -0.76 -0.17 0.00 0.00 175.17 173.94 2ka0 s LEU 16 N 1.42 3.11 -0.14 -1.34 1.43 0.22 -1.20 118.68 122.19 2ka0 s LEU 16 Ca -0.01 -0.28 -0.25 0.00 -1.03 0.00 0.00 54.13 52.56 2ka0 s LEU 16 Cb -0.19 -1.79 -0.02 0.00 0.03 0.00 0.00 46.19 44.21 2ka0 s LEU 16 CO 0.03 0.03 0.81 0.21 0.23 0.00 0.00 176.35 177.66 2ka0 s ASN 17 N 1.20 6.98 0.00 2.29 2.47 -1.09 -0.53 114.94 126.26 2ka0 s ASN 17 Ca 0.03 1.20 0.17 0.00 0.42 0.00 0.00 52.86 54.68 2ka0 s ASN 17 Cb -0.15 -2.45 0.94 0.00 -1.45 0.00 0.00 41.25 38.15 2ka0 s ASN 17 CO 0.00 -0.33 1.43 -0.62 -3.72 0.00 0.00 177.10 173.86 2ka0 n GLU 18 N 4.85 0.43 0.28 0.43 1.02 -1.26 -2.38 120.64 124.01 2ka0 n GLU 18 Ca 0.03 0.04 0.17 0.00 -0.02 0.00 0.00 57.16 57.38 2ka0 n GLU 18 Cb 0.49 -1.50 0.74 0.00 -0.02 0.00 0.00 31.44 31.16 2ka0 n GLU 18 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2ka0 h GLU 19 N 0.00 0.00 -5.49 3.49 5.08 -2.00 -3.43 114.58 112.23 2ka0 h GLU 19 Ca 0.00 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.76 2ka0 h GLU 19 Cb 0.05 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.19 2ka0 h GLU 19 CO 0.00 0.05 -0.11 0.71 -1.00 0.00 0.00 179.01 178.66 2ka0 s TYR 20 N -3.80 3.37 0.18 4.33 2.02 -1.00 -4.99 117.35 117.45 2ka0 s TYR 20 Ca -0.00 0.71 -0.21 0.00 -0.37 0.00 0.00 57.07 57.19 2ka0 s TYR 20 Cb 0.10 -2.61 0.09 0.00 -0.40 0.00 0.00 41.96 39.15 2ka0 s TYR 20 CO 0.54 -0.06 1.60 1.49 -1.57 0.00 0.00 175.55 177.54 2ka0 h GLU 21 N 7.43 -0.19 -0.99 -0.62 4.81 -1.90 0.34 114.58 123.46 2ka0 h GLU 21 Ca -0.35 0.01 0.32 0.00 -0.13 0.00 0.00 59.36 59.21 2ka0 h GLU 21 Cb 1.16 0.04 -0.15 0.00 0.63 0.00 0.00 28.75 30.43 2ka0 h GLU 21 CO 0.73 -0.13 0.54 -0.24 -0.73 0.00 0.00 179.01 179.18 2ka0 h VAL 22 N -0.20 0.29 -0.21 0.32 3.04 -1.94 -0.74 116.25 116.81 2ka0 h VAL 22 Ca 0.20 -0.10 -0.15 0.00 -1.01 0.00 0.00 66.70 65.63 2ka0 h VAL 22 Cb 0.53 -0.04 0.00 0.00 -2.01 0.00 0.00 31.29 29.77 2ka0 h VAL 22 CO -0.59 0.06 -0.47 0.58 -1.01 0.00 0.00 177.57 176.13 2ka0 h VAL 23 N 0.30 1.31 -0.80 1.51 2.07 -1.22 -0.91 116.25 118.52 2ka0 h VAL 23 Ca 0.72 -1.70 0.02 0.00 0.82 0.00 0.00 66.70 66.57 2ka0 h VAL 23 Cb 1.64 1.85 -0.04 0.00 -1.52 0.00 0.00 31.29 33.22 2ka0 h VAL 23 CO -0.62 0.53 0.53 0.11 0.02 0.00 0.00 177.57 178.14 2ka0 h LYS 24 N 0.39 0.99 0.05 1.57 1.57 -0.89 -2.84 116.57 117.42 2ka0 h LYS 24 Ca -0.00 -0.06 -0.24 0.00 -1.87 0.00 0.00 60.65 58.48 2ka0 h LYS 24 Cb 1.08 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.17 2ka0 h LYS 24 CO 0.10 0.66 -1.04 -0.07 -0.57 0.00 0.00 179.45 178.53 2ka0 h LEU 25 N 1.02 0.44 -2.34 2.94 3.38 -1.02 -2.84 115.31 116.90 2ka0 h LEU 25 Ca 0.31 -0.40 0.03 0.00 0.09 0.00 0.00 57.88 57.92 2ka0 h LEU 25 Cb -0.02 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 2ka0 h LEU 25 CO -0.08 1.23 0.18 -0.07 0.09 0.00 0.00 178.44 179.79 2ka0 h LEU 26 N 0.15 0.00 -1.09 1.67 3.38 -0.92 -1.42 115.31 117.08 2ka0 h LEU 26 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2ka0 h LEU 26 Cb 1.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.46 2ka0 h LEU 26 CO 0.17 0.00 0.00 1.17 0.09 0.00 0.00 178.44 179.87 2ka0 n LYS 27 N -3.55 0.15 0.06 1.13 4.81 -1.07 -1.08 118.16 118.62 2ka0 n LYS 27 Ca 0.00 0.55 0.12 0.00 -0.87 0.00 0.00 58.31 58.11 2ka0 n LYS 27 Cb 0.28 -1.90 0.24 0.00 0.02 0.00 0.00 35.03 33.67 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 -2.20 0.26 0.00 1.64 -0.58 -0.53 -4.38 120.64 114.84 2ka0 n GLU 28 Ca -0.00 0.10 0.00 0.00 -0.42 0.00 0.00 57.16 56.84 2ka0 n GLU 28 Cb 0.10 -1.69 0.00 0.00 -0.57 0.00 0.00 31.44 29.28 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 -2.08 0.63 -4.18 3.49 4.76 -0.24 -5.03 118.16 115.50 2ka0 n LYS 29 Ca 0.04 -0.78 -0.35 0.00 -2.87 0.00 0.00 58.31 54.35 2ka0 n LYS 29 Cb 0.43 -0.88 -0.08 0.00 -1.84 0.00 0.00 35.03 32.66 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 -0.35 4.71 0.74 -0.18 1.01 -0.93 -3.58 121.20 122.62 2ka0 s ILE 30 Ca 0.00 -0.17 -0.11 0.00 0.00 0.00 0.00 60.65 60.36 2ka0 s ILE 30 Cb 0.00 -3.04 0.04 0.00 0.01 0.00 0.00 42.46 39.46 2ka0 s ILE 30 CO 0.00 0.55 1.08 -2.16 0.00 0.00 0.00 174.94 174.41 2ka0 s PRO 31 N -1.13 2.52 0.12 2.79 0.04 -1.26 -4.99 135.00 133.09 2ka0 s PRO 31 Ca 0.16 1.13 -0.01 0.00 0.04 0.00 0.00 61.00 62.32 2ka0 s PRO 31 Cb -0.12 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 2ka0 s PRO 31 CO 0.06 -1.44 0.05 -0.59 0.04 0.00 0.00 177.00 175.12 2ka0 s PHE 32 N -2.87 0.80 0.11 0.56 -0.71 -0.43 -5.00 117.98 110.44 2ka0 s PHE 32 Ca 0.61 -1.20 0.09 0.00 -1.04 0.00 0.00 56.93 55.39 2ka0 s PHE 32 Cb -0.17 -0.46 -0.04 0.00 -1.21 0.00 0.00 43.02 41.15 2ka0 s PHE 32 CO 0.54 -0.51 -0.22 -1.21 -1.34 0.00 0.00 175.22 172.48 2ka0 s GLU 33 N -4.03 1.18 0.17 1.99 2.02 -1.26 -0.32 118.70 118.46 2ka0 s GLU 33 Ca 0.22 -1.21 -0.21 0.00 0.02 0.00 0.00 54.97 53.79 2ka0 s GLU 33 Cb 0.07 -1.47 0.05 0.00 0.10 0.00 0.00 34.13 32.89 2ka0 s GLU 33 CO 0.00 0.34 0.57 0.45 0.02 0.00 0.00 175.26 176.64 2ka0 s SER 34 N -1.99 -0.43 -0.10 -0.19 0.15 -0.97 -4.94 113.70 105.22 2ka0 s SER 34 Ca 0.08 -0.20 -0.30 0.00 0.70 0.00 0.00 55.95 56.24 2ka0 s SER 34 Cb -0.10 0.59 -0.03 0.00 -1.71 0.00 0.00 66.02 64.78 2ka0 s SER 34 CO 0.05 -1.01 1.24 -0.69 1.20 0.00 0.00 173.24 174.03 2ka0 s VAL 35 N -3.80 4.23 -0.67 4.45 1.01 -1.26 -0.94 120.40 123.42 2ka0 s VAL 35 Ca 0.04 1.53 -0.26 0.00 0.00 0.00 0.00 61.98 63.28 2ka0 s VAL 35 Cb -0.01 -3.99 -0.01 0.00 0.00 0.00 0.00 36.38 32.37 2ka0 s VAL 35 CO -0.09 -0.06 1.76 -0.69 0.00 0.00 0.00 175.10 176.03 2ka0 s VAL 36 N 2.76 3.43 0.42 2.92 1.01 -1.26 -4.24 120.40 125.44 2ka0 s VAL 36 Ca 0.56 0.17 -0.11 0.00 0.00 0.00 0.00 61.98 62.60 2ka0 s VAL 36 Cb -0.24 -4.13 -0.06 0.00 0.00 0.00 0.00 36.38 31.95 2ka0 s VAL 36 CO 0.19 -1.09 0.79 0.20 0.00 0.00 0.00 175.10 175.19 2ka0 s ASN 37 N 7.31 6.51 0.03 3.32 0.01 -0.16 -2.23 114.94 129.73 2ka0 s ASN 37 Ca 0.62 1.15 0.04 0.00 -0.71 0.00 0.00 52.86 53.96 2ka0 s ASN 37 Cb -0.11 -2.33 -0.02 0.00 0.41 0.00 0.00 41.25 39.20 2ka0 s ASN 37 CO 0.17 -0.43 -0.12 0.42 -1.51 0.00 0.00 177.10 175.64 2ka0 s THR 38 N -2.42 0.91 -0.28 1.60 -4.23 -1.26 -1.63 115.64 108.33 2ka0 s THR 38 Ca 0.52 -0.82 0.02 0.00 -1.18 0.00 0.00 61.69 60.22 2ka0 s THR 38 Cb -0.10 -0.83 0.17 0.00 1.34 0.00 0.00 72.50 73.08 2ka0 s THR 38 CO 0.32 0.01 0.45 0.86 -0.54 0.00 0.00 174.62 175.73 2ka0 s TRP 39 N -0.73 -1.19 -0.49 3.99 -0.00 -0.87 -4.99 118.94 114.66 2ka0 s TRP 39 Ca 0.01 0.67 0.00 0.00 -0.00 0.00 0.00 56.10 56.78 2ka0 s TRP 39 Cb -0.07 0.02 0.00 0.00 -0.00 0.00 0.00 33.47 33.43 2ka0 s TRP 39 CO 0.01 -0.95 0.00 0.41 -0.00 0.00 0.00 176.95 176.42 2ka0 n GLY 40 N 5.37 0.74 1.87 5.86 0.00 -1.26 -1.28 105.19 116.49 2ka0 n GLY 40 Ca 0.01 -0.83 -0.04 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.84 -1.03 -4.29 1.61 2.13 -1.26 -3.54 120.64 111.41 2ka0 n GLU 41 Ca -0.05 0.13 -0.16 0.00 0.66 0.00 0.00 57.16 57.75 2ka0 n GLU 41 Cb 0.16 -3.19 -0.10 0.00 0.27 0.00 0.00 31.44 28.58 2ka0 n GLU 41 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 2ka0 s GLU 42 N -4.99 1.23 0.05 5.31 2.12 -0.41 -3.12 118.70 118.89 2ka0 s GLU 42 Ca 0.07 -1.59 0.06 0.00 0.36 0.00 0.00 54.97 53.87 2ka0 s GLU 42 Cb -0.03 -0.58 -0.02 0.00 0.26 0.00 0.00 34.13 33.76 2ka0 s GLU 42 CO 0.09 -0.05 -0.17 0.42 -0.54 0.00 0.00 175.26 175.01 2ka0 s ILE 43 N -3.42 1.36 0.24 -3.70 1.01 -0.82 -2.05 121.20 113.82 2ka0 s ILE 43 Ca 0.24 -1.15 0.01 0.00 0.00 0.00 0.00 60.65 59.76 2ka0 s ILE 43 Cb 0.05 -1.22 -0.05 0.00 0.01 0.00 0.00 42.46 41.25 2ka0 s ILE 43 CO 0.06 0.05 0.09 -0.72 0.00 0.00 0.00 174.94 174.41 2ka0 s TYR 44 N -0.90 1.47 -0.01 3.97 1.13 -0.64 -0.75 117.35 121.61 2ka0 s TYR 44 Ca 0.04 -1.18 -0.15 0.00 -1.41 0.00 0.00 57.07 54.37 2ka0 s TYR 44 Cb -0.09 -0.85 0.02 0.00 -1.10 0.00 0.00 41.96 39.95 2ka0 s TYR 44 CO 0.02 -0.35 0.32 -0.59 -2.51 0.00 0.00 175.55 172.44 2ka0 s PHE 45 N -3.78 -0.19 -1.14 -3.49 -0.71 -1.26 -0.99 117.98 106.42 2ka0 s PHE 45 Ca 0.36 0.26 -0.15 0.00 -1.04 0.00 0.00 56.93 56.36 2ka0 s PHE 45 Cb 0.08 0.11 0.15 0.00 -1.21 0.00 0.00 43.02 42.15 2ka0 s PHE 45 CO 0.12 -0.41 1.38 -1.12 -1.34 0.00 0.00 175.22 173.85 2ka0 s SER 46 N -1.41 6.94 0.54 1.98 0.01 -1.26 -2.57 113.70 117.93 2ka0 s SER 46 Ca -0.13 -2.69 -0.21 0.00 1.31 0.00 0.00 55.95 54.23 2ka0 s SER 46 Cb -0.05 -2.42 -0.05 0.00 0.21 0.00 0.00 66.02 63.72 2ka0 s SER 46 CO 0.04 -0.87 1.24 0.42 0.41 0.00 0.00 173.24 174.47 2ka0 s THR 47 N 2.11 2.61 0.10 1.44 -4.23 -1.01 -4.93 115.64 111.73 2ka0 s THR 47 Ca 0.41 0.42 0.17 0.00 -1.18 0.00 0.00 61.69 61.52 2ka0 s THR 47 Cb -0.03 -3.20 0.10 0.00 1.34 0.00 0.00 72.50 70.71 2ka0 s THR 47 CO -0.02 -0.04 1.65 1.55 -0.54 0.00 0.00 174.62 177.22 2ka0 h PRO 48 N 1.39 0.00 -6.67 3.99 0.13 -1.94 -3.45 132.00 125.45 2ka0 h PRO 48 Ca -0.50 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.12 2ka0 h PRO 48 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2ka0 h PRO 48 CO 0.57 0.44 0.45 0.08 -0.23 0.00 0.00 178.00 179.32 2ka0 s VAL 49 N -3.43 3.92 -0.33 1.56 1.01 -1.26 -5.02 120.40 116.85 2ka0 s VAL 49 Ca 0.01 1.69 0.03 0.00 0.00 0.00 0.00 61.98 63.71 2ka0 s VAL 49 Cb 0.10 -4.08 0.10 0.00 0.00 0.00 0.00 36.38 32.50 2ka0 s VAL 49 CO 0.71 0.31 0.06 0.20 0.00 0.00 0.00 175.10 176.38 2ka0 s ASN 50 N -0.27 4.61 0.26 3.32 0.01 -1.26 -4.95 114.94 116.66 2ka0 s ASN 50 Ca 0.48 -2.04 -0.09 0.00 -0.71 0.00 0.00 52.86 50.50 2ka0 s ASN 50 Cb -0.29 -1.46 -0.01 0.00 0.41 0.00 0.00 41.25 39.91 2ka0 s ASN 50 CO 0.35 -0.39 0.42 0.54 -1.51 0.00 0.00 177.10 176.51 2ka0 s VAL 51 N 1.06 0.00 0.00 1.60 0.11 -1.26 -5.10 120.40 116.81 2ka0 s VAL 51 Ca 0.11 -1.55 0.00 0.00 -2.93 0.00 0.00 61.98 57.61 2ka0 s VAL 51 Cb -0.19 -2.35 0.00 0.00 -1.53 0.00 0.00 36.38 32.32 2ka0 s VAL 51 CO -0.12 0.00 0.16 0.00 -3.33 0.00 0.00 175.10 171.81 2ka0 n GLN 52 N -0.40 0.00 -1.68 1.54 10.64 -1.26 -4.87 117.38 121.36 2ka0 n GLN 52 Ca -0.01 -0.16 -0.61 0.00 -1.83 0.00 0.00 57.00 54.40 2ka0 n GLN 52 Cb 0.63 -0.50 -0.08 0.00 -0.86 0.00 0.00 30.24 29.42 2ka0 n GLN 52 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40 2ka0 n LYS 53 N -0.00 0.67 -3.60 2.61 4.81 -1.26 -4.90 118.16 116.49 2ka0 n LYS 53 Ca 0.00 0.24 -0.40 0.00 -0.87 0.00 0.00 58.31 57.28 2ka0 n LYS 53 Cb 0.33 -1.87 -0.07 0.00 0.02 0.00 0.00 35.03 33.43 2ka0 n LYS 53 CO 0.00 0.00 0.00 -1.64 1.17 0.00 0.00 177.40 176.93 2ka0 s MET 54 N 3.67 2.87 0.43 1.64 -1.94 -1.26 -4.82 119.30 119.89 2ka0 s MET 54 Ca 1.03 -2.49 0.20 0.00 -1.71 0.00 0.00 55.69 52.71 2ka0 s MET 54 Cb -1.24 -3.94 0.97 0.00 2.01 0.00 0.00 34.83 32.63 2ka0 s MET 54 CO 0.71 -1.21 1.89 0.93 -0.01 0.00 0.00 175.02 177.33 2ka0 h GLU 55 N 7.28 0.00 -0.47 2.03 4.39 -1.98 -3.39 114.58 122.44 2ka0 h GLU 55 Ca 0.01 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.43 2ka0 h GLU 55 Cb 0.98 0.00 -0.23 0.00 -0.10 0.00 0.00 28.75 29.40 2ka0 h GLU 55 CO 0.73 0.27 -0.65 0.27 -1.16 0.00 0.00 179.01 178.47 2ka0 n ASN 56 N -3.76 -1.09 -4.63 1.42 6.94 -1.26 -5.12 115.26 107.76 2ka0 n ASN 56 Ca -0.01 -3.00 -0.30 0.00 -0.02 0.00 0.00 54.58 51.25 2ka0 n ASN 56 Cb 0.37 0.82 0.19 0.00 -2.36 0.00 0.00 39.78 38.80 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 -0.72 0.51 0.21 -0.53 0.04 -1.26 -3.24 135.00 130.01 2ka0 s PRO 57 Ca 0.26 1.29 0.00 0.00 0.04 0.00 0.00 61.00 62.59 2ka0 s PRO 57 Cb 0.37 -1.69 -0.00 0.00 0.04 0.00 0.00 34.50 33.22 2ka0 s PRO 57 CO -0.05 -2.89 0.26 0.54 0.04 0.00 0.00 177.00 174.90 2ka0 n ARG 58 N -4.39 0.38 0.00 4.56 5.12 -1.24 -4.94 116.66 116.15 2ka0 n ARG 58 Ca 0.09 -1.73 0.00 0.00 -1.93 0.00 0.00 57.85 54.28 2ka0 n ARG 58 Cb 0.53 1.60 0.00 0.00 -1.16 0.00 0.00 32.46 33.43 2ka0 n ARG 58 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 2ka0 n GLU 59 N -0.35 -0.53 -3.50 5.56 1.02 -1.26 -3.92 120.64 117.65 2ka0 n GLU 59 Ca 0.01 -0.61 -0.12 0.00 -0.02 0.00 0.00 57.16 56.43 2ka0 n GLU 59 Cb 0.35 -0.99 -0.03 0.00 -0.02 0.00 0.00 31.44 30.75 2ka0 n GLU 59 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2ka0 s VAL 60 N -0.11 0.03 0.34 2.62 0.11 -1.26 -4.24 120.40 117.88 2ka0 s VAL 60 Ca 0.00 -0.21 0.06 0.00 -2.93 0.00 0.00 61.98 58.90 2ka0 s VAL 60 Cb 0.00 -1.06 -0.02 0.00 -1.53 0.00 0.00 36.38 33.77 2ka0 s VAL 60 CO 0.00 -0.12 0.32 1.33 -3.33 0.00 0.00 175.10 173.31 2ka0 n VAL 61 N -0.27 0.00 -2.42 2.04 0.24 -0.99 -5.00 118.33 111.93 2ka0 n VAL 61 Ca -0.17 -2.39 -0.25 0.00 -2.04 0.00 0.00 64.34 59.49 2ka0 n VAL 61 Cb 0.64 1.23 0.14 0.00 -1.47 0.00 0.00 33.84 34.38 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 -3.30 1.32 0.00 7.34 2.02 -1.26 -4.50 118.70 120.32 2ka0 s GLU 62 Ca 0.39 -0.97 0.14 0.00 0.02 0.00 0.00 54.97 54.55 2ka0 s GLU 62 Cb 0.02 -2.19 0.85 0.00 0.10 0.00 0.00 34.13 32.90 2ka0 s GLU 62 CO 0.28 -1.77 1.42 -0.89 0.02 0.00 0.00 175.26 174.32 2ka0 n ILE 63 N -3.12 0.00 -2.72 -1.63 5.41 -1.26 -3.59 119.36 112.45 2ka0 n ILE 63 Ca 0.16 0.00 -0.03 0.00 1.00 0.00 0.00 62.75 63.87 2ka0 n ILE 63 Cb 0.60 -0.36 0.10 0.00 -0.71 0.00 0.00 39.64 39.27 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 0.50 1.78 0.00 7.39 0.00 -1.26 -4.31 105.19 109.30 2ka0 n GLY 64 Ca 0.11 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.95 0.53 -3.14 1.61 8.00 -1.24 -3.59 116.55 117.77 2ka0 n ASP 65 Ca -0.05 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.36 2ka0 n ASP 65 Cb 0.85 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.95 2ka0 n ASP 65 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2ka0 s VAL 66 N 1.96 0.00 0.02 2.53 0.11 -1.26 -1.40 120.40 122.37 2ka0 s VAL 66 Ca 0.00 -1.06 -0.06 0.00 -2.93 0.00 0.00 61.98 57.93 2ka0 s VAL 66 Cb 0.00 -2.69 -0.01 0.00 -1.53 0.00 0.00 36.38 32.15 2ka0 s VAL 66 CO 0.00 0.00 0.10 -0.83 -3.33 0.00 0.00 175.10 171.04 2ka0 s GLY 67 N -3.06 0.12 -0.22 6.54 0.00 0.09 -4.51 107.32 106.28 2ka0 s GLY 67 Ca 0.16 -0.37 -0.07 0.00 0.00 0.00 0.00 44.72 44.44 2ka0 s GLY 67 CO 0.11 -0.50 0.07 -0.47 0.00 0.00 0.00 173.10 172.31 2ka0 s TYR 68 N -1.97 3.14 -0.80 1.90 5.04 -0.62 -1.04 117.35 123.00 2ka0 s TYR 68 Ca -0.10 -0.22 -0.09 0.00 -2.44 0.00 0.00 57.07 54.21 2ka0 s TYR 68 Cb -0.05 -2.18 0.21 0.00 0.35 0.00 0.00 41.96 40.29 2ka0 s TYR 68 CO -0.02 -0.16 0.70 -0.46 -1.34 0.00 0.00 175.55 174.28 2ka0 s TRP 69 N 1.14 3.71 0.46 4.97 -0.00 -0.15 -2.71 118.94 126.37 2ka0 s TRP 69 Ca 0.04 -2.38 0.13 0.00 -0.00 0.00 0.00 56.10 53.89 2ka0 s TRP 69 Cb -0.14 -3.58 1.04 0.00 -0.00 0.00 0.00 33.47 30.79 2ka0 s TRP 69 CO 0.03 -0.92 2.05 -1.00 -0.00 0.00 0.00 176.95 177.12 2ka0 h PRO 70 N 7.27 0.15 -0.37 5.86 0.13 -1.89 -1.95 132.00 141.19 2ka0 h PRO 70 Ca 0.08 -0.02 -0.10 0.00 -0.87 0.00 0.00 66.00 65.09 2ka0 h PRO 70 Cb 0.98 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.06 2ka0 h PRO 70 CO 0.77 0.18 -0.19 -1.00 -0.23 0.00 0.00 178.00 177.53 2ka0 h PRO 71 N 0.15 0.70 -0.00 1.56 0.13 -1.95 -2.54 132.00 130.05 2ka0 h PRO 71 Ca 0.04 -0.26 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 2ka0 h PRO 71 Cb 0.13 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.22 2ka0 h PRO 71 CO 0.00 0.85 -0.49 0.41 -0.23 0.00 0.00 178.00 178.54 2ka0 n GLY 72 N -0.35 -1.08 3.95 1.56 0.00 -1.17 -4.97 105.19 103.13 2ka0 n GLY 72 Ca 0.00 -0.39 -0.33 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.31 -1.57 -4.20 1.61 5.02 -0.76 -4.91 118.16 112.04 2ka0 n LYS 73 Ca 0.07 0.30 -0.14 0.00 -2.02 0.00 0.00 58.31 56.52 2ka0 n LYS 73 Cb 0.34 -3.78 -0.10 0.00 -0.02 0.00 0.00 35.03 31.47 2ka0 n LYS 73 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ka0 s ALA 74 N -3.75 1.23 0.72 7.82 0.00 -1.02 -2.39 121.76 124.36 2ka0 s ALA 74 Ca 0.27 -1.33 -0.02 0.00 0.00 0.00 0.00 51.96 50.88 2ka0 s ALA 74 Cb -0.12 0.05 0.12 0.00 0.00 0.00 0.00 23.12 23.17 2ka0 s ALA 74 CO 0.92 -0.09 0.99 -0.51 0.00 0.00 0.00 175.76 177.07 2ka0 s LEU 75 N -2.82 2.98 -0.20 0.00 2.01 -1.06 -0.98 118.68 118.61 2ka0 s LEU 75 Ca 0.11 -0.20 -0.09 0.00 0.01 0.00 0.00 54.13 53.96 2ka0 s LEU 75 Cb 0.00 -2.21 0.08 0.00 0.01 0.00 0.00 46.19 44.08 2ka0 s LEU 75 CO -0.00 -1.82 0.46 0.00 1.01 0.00 0.00 176.35 175.99 2ka0 s LEU 77 N 2.11 4.00 -0.35 0.00 1.02 0.07 -0.73 118.68 124.80 2ka0 s LEU 77 Ca -0.06 -0.62 -0.08 0.00 0.02 0.00 0.00 54.13 53.40 2ka0 s LEU 77 Cb -0.10 -1.95 0.03 0.00 0.02 0.00 0.00 46.19 44.20 2ka0 s LEU 77 CO -0.14 -0.20 0.14 -0.36 0.02 0.00 0.00 176.35 175.81 2ka0 s PHE 78 N 1.56 3.24 -0.01 0.29 0.08 -1.26 -1.94 117.98 119.94 2ka0 s PHE 78 Ca 0.04 -1.23 0.02 0.00 0.12 0.00 0.00 56.93 55.87 2ka0 s PHE 78 Cb -0.17 -2.33 0.03 0.00 -0.57 0.00 0.00 43.02 39.98 2ka0 s PHE 78 CO 0.04 -0.69 0.89 1.97 -0.10 0.00 0.00 175.22 177.33 2ka0 n PHE 79 N 4.88 0.00 0.00 0.36 1.16 -1.18 -4.05 117.46 118.62 2ka0 n PHE 79 Ca -0.12 -0.40 0.00 0.00 -1.87 0.00 0.00 57.45 55.06 2ka0 n PHE 79 Cb 0.45 -0.05 0.00 0.00 -1.61 0.00 0.00 39.48 38.28 2ka0 n PHE 79 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2ka0 n GLY 80 N -0.44 2.55 2.76 4.97 0.00 -1.23 -4.92 105.19 108.89 2ka0 n GLY 80 Ca 0.01 0.12 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 2ka0 n GLY 80 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2ka0 s LYS 81 N 3.86 0.81 0.99 1.61 2.36 -1.26 -4.88 119.74 123.23 2ka0 s LYS 81 Ca 0.00 -0.64 -0.12 0.00 -2.55 0.00 0.00 55.97 52.66 2ka0 s LYS 81 Cb 0.00 -2.15 0.19 0.00 -1.05 0.00 0.00 37.83 34.82 2ka0 s LYS 81 CO 0.00 -0.71 1.08 0.95 1.55 0.00 0.00 175.35 178.22 2ka0 s THR 82 N 1.74 2.30 -2.00 3.43 -4.23 -1.23 -4.78 115.64 110.86 2ka0 s THR 82 Ca 0.00 0.10 0.04 0.00 -1.18 0.00 0.00 61.69 60.65 2ka0 s THR 82 Cb -0.17 -2.34 0.12 0.00 1.34 0.00 0.00 72.50 71.45 2ka0 s THR 82 CO -0.12 -0.13 0.77 -0.81 -0.54 0.00 0.00 174.62 173.80 2ka0 n PRO 83 N -4.32 0.55 -3.80 3.99 -0.04 -1.26 -4.40 135.00 125.72 2ka0 n PRO 83 Ca 0.07 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.21 2ka0 n PRO 83 Cb 0.54 -1.13 -0.10 0.00 -0.04 0.00 0.00 33.50 32.78 2ka0 n PRO 83 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 2ka0 s MET 84 N -2.00 2.75 0.00 0.54 -1.94 -1.26 -5.02 119.30 112.37 2ka0 s MET 84 Ca 0.07 -3.24 0.00 0.00 -1.71 0.00 0.00 55.69 50.80 2ka0 s MET 84 Cb 0.03 -3.64 0.00 0.00 2.01 0.00 0.00 34.83 33.23 2ka0 s MET 84 CO 0.05 -1.26 0.00 -1.13 -0.01 0.00 0.00 175.02 172.67 2ka0 n SER 85 N 2.25 0.00 0.09 3.03 3.41 -1.26 -4.14 113.62 116.99 2ka0 n SER 85 Ca 0.19 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.80 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 0.76 0.57 0.11 4.04 -0.08 -1.26 -5.00 116.55 115.69 2ka0 n ASP 86 Ca 0.00 0.27 -0.20 0.00 -1.51 0.00 0.00 54.79 53.35 2ka0 n ASP 86 Cb 0.00 -0.03 -0.15 0.00 2.34 0.00 0.00 41.12 43.28 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 0.59 -5.07 1.67 3.32 -2.01 -3.47 116.42 111.44 2ka0 h ASP 87 Ca 0.00 -0.68 -0.18 0.00 0.02 0.00 0.00 57.03 56.19 2ka0 h ASP 87 Cb 0.03 -0.19 -0.15 0.00 0.22 0.00 0.00 39.33 39.24 2ka0 h ASP 87 CO 0.00 1.54 -0.67 -1.59 -1.72 0.00 0.00 179.24 176.80 2ka0 s LYS 88 N -2.62 0.83 -1.15 3.56 -2.85 -1.26 -5.07 119.74 111.17 2ka0 s LYS 88 Ca -0.08 -1.36 -0.18 0.00 -1.00 0.00 0.00 55.97 53.35 2ka0 s LYS 88 Cb 0.06 0.07 0.10 0.00 -2.06 0.00 0.00 37.83 36.00 2ka0 s LYS 88 CO 0.90 -0.14 1.49 0.42 0.10 0.00 0.00 175.35 178.12 2ka0 s ILE 89 N -3.87 4.42 0.31 3.79 1.01 -1.26 -4.73 121.20 120.87 2ka0 s ILE 89 Ca 0.16 -1.79 -0.21 0.00 0.00 0.00 0.00 60.65 58.80 2ka0 s ILE 89 Cb 0.07 -5.02 -0.09 0.00 0.01 0.00 0.00 42.46 37.42 2ka0 s ILE 89 CO -0.03 -1.82 0.84 -1.10 0.00 0.00 0.00 174.94 172.84 2ka0 s GLN 90 N 3.44 4.33 0.46 2.79 -0.21 -1.26 -2.36 119.66 126.86 2ka0 s GLN 90 Ca 0.46 1.05 -0.04 0.00 0.02 0.00 0.00 55.36 56.84 2ka0 s GLN 90 Cb -0.00 -2.66 0.10 0.00 1.00 0.00 0.00 33.01 31.45 2ka0 s GLN 90 CO -0.01 0.24 0.63 -0.35 -2.12 0.00 0.00 175.29 173.68 2ka0 n PRO 91 N 0.25 -0.22 -0.33 2.91 -0.04 -1.26 -4.66 135.00 131.65 2ka0 n PRO 91 Ca 0.02 -1.32 0.12 0.00 -0.04 0.00 0.00 63.50 62.28 2ka0 n PRO 91 Cb 0.52 -0.55 0.33 0.00 -0.04 0.00 0.00 33.50 33.76 2ka0 n PRO 91 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ka0 h ALA 92 N -1.18 1.72 -1.96 0.55 0.00 -1.97 -3.47 119.26 112.95 2ka0 h ALA 92 Ca -0.21 0.05 0.28 0.00 0.00 0.00 0.00 54.91 55.03 2ka0 h ALA 92 Cb 0.66 -0.12 -0.08 0.00 0.00 0.00 0.00 17.79 18.25 2ka0 h ALA 92 CO 0.18 -0.02 0.76 -1.12 0.00 0.00 0.00 179.25 179.04 2ka0 s SER 93 N -5.57 -0.04 -0.62 0.00 0.01 -1.26 -5.11 113.70 101.10 2ka0 s SER 93 Ca -0.11 -0.29 -0.31 0.00 1.31 0.00 0.00 55.95 56.55 2ka0 s SER 93 Cb 0.24 0.27 -0.13 0.00 0.21 0.00 0.00 66.02 66.60 2ka0 s SER 93 CO 0.80 -0.51 2.44 0.00 0.41 0.00 0.00 173.24 176.38 2ka0 n ALA 94 N -0.64 0.69 -2.55 1.44 0.00 -1.26 -4.94 120.51 113.26 2ka0 n ALA 94 Ca -0.04 -0.45 -0.32 0.00 0.00 0.00 0.00 53.44 52.63 2ka0 n ALA 94 Cb 0.61 -2.69 -0.11 0.00 0.00 0.00 0.00 19.45 17.25 2ka0 n ALA 94 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2ka0 s VAL 95 N 9.66 3.42 -0.10 0.00 -7.23 -1.25 -4.87 120.40 120.03 2ka0 s VAL 95 Ca 1.14 -0.77 -0.30 0.00 -1.81 0.00 0.00 61.98 60.25 2ka0 s VAL 95 Cb -0.75 -2.44 -0.01 0.00 0.56 0.00 0.00 36.38 33.74 2ka0 s VAL 95 CO 0.41 0.46 1.02 0.21 -0.31 0.00 0.00 175.10 176.90 2ka0 s ASN 96 N -1.17 7.23 -1.26 4.85 2.47 -1.10 -3.66 114.94 122.30 2ka0 s ASN 96 Ca 0.15 1.56 -0.09 0.00 0.42 0.00 0.00 52.86 54.89 2ka0 s ASN 96 Cb -0.11 -2.56 0.18 0.00 -1.45 0.00 0.00 41.25 37.31 2ka0 s ASN 96 CO 0.05 -0.46 1.81 0.52 -3.72 0.00 0.00 177.10 175.30 2ka0 n VAL 97 N 4.55 4.40 0.01 -5.21 0.31 -1.20 -1.59 118.33 119.60 2ka0 n VAL 97 Ca 0.09 -4.52 -0.12 0.00 -0.01 0.00 0.00 64.34 59.78 2ka0 n VAL 97 Cb 0.48 -2.35 -0.14 0.00 -0.91 0.00 0.00 33.84 30.92 2ka0 n VAL 97 CO 0.00 0.00 0.00 0.16 -1.32 0.00 0.00 176.83 175.67 2ka0 h ILE 98 N 3.80 1.01 -4.30 2.52 3.07 -1.91 -3.45 117.51 118.25 2ka0 h ILE 98 Ca 0.38 -2.78 -0.46 0.00 1.55 0.00 0.00 64.86 63.54 2ka0 h ILE 98 Cb 0.65 2.57 0.12 0.00 -0.27 0.00 0.00 36.82 39.89 2ka0 h ILE 98 CO 1.57 0.69 0.32 -0.83 -1.05 0.00 0.00 178.15 178.85 2ka0 s GLY 99 N -5.08 1.58 0.06 0.16 0.00 -1.26 -2.68 107.32 100.10 2ka0 s GLY 99 Ca -0.07 -0.51 0.05 0.00 0.00 0.00 0.00 44.72 44.19 2ka0 s GLY 99 CO 0.82 0.02 -0.07 0.54 0.00 0.00 0.00 173.10 174.41 2ka0 s LYS 100 N -5.31 2.35 -1.18 2.90 -0.14 -0.34 -4.14 119.74 113.89 2ka0 s LYS 100 Ca 0.63 -0.88 -0.20 0.00 -1.36 0.00 0.00 55.97 54.17 2ka0 s LYS 100 Cb -0.14 -2.41 0.07 0.00 -1.68 0.00 0.00 37.83 33.67 2ka0 s LYS 100 CO 0.53 0.55 1.59 0.42 -0.76 0.00 0.00 175.35 177.68 2ka0 s ILE 101 N -1.14 4.13 0.21 2.17 1.01 -0.49 -0.89 121.20 126.20 2ka0 s ILE 101 Ca 0.20 -1.55 -0.09 0.00 0.00 0.00 0.00 60.65 59.22 2ka0 s ILE 101 Cb -0.11 -5.12 0.15 0.00 0.01 0.00 0.00 42.46 37.39 2ka0 s ILE 101 CO 0.12 -1.95 1.80 -0.37 0.00 0.00 0.00 174.94 174.53 2ka0 h VAL 102 N 5.95 1.25 -3.98 2.92 -1.51 -1.78 -3.41 116.25 115.69 2ka0 h VAL 102 Ca 0.34 -0.69 -0.21 0.00 -1.23 0.00 0.00 66.70 64.91 2ka0 h VAL 102 Cb 0.93 0.28 -0.21 0.00 -2.13 0.00 0.00 31.29 30.15 2ka0 h VAL 102 CO 1.42 0.29 -0.71 -1.61 -1.23 0.00 0.00 177.57 175.73 2ka0 s GLU 103 N -5.70 0.39 -0.04 5.19 0.41 -1.14 -4.95 118.70 112.86 2ka0 s GLU 103 Ca -0.13 -0.67 -0.01 0.00 -0.41 0.00 0.00 54.97 53.75 2ka0 s GLU 103 Cb 0.15 -0.04 0.00 0.00 -1.78 0.00 0.00 34.13 32.46 2ka0 s GLU 103 CO 0.82 -0.01 0.05 0.41 -0.49 0.00 0.00 175.26 176.04 2ka0 n GLY 104 N 1.53 -0.67 0.51 -1.39 0.00 -1.26 -1.12 105.19 102.79 2ka0 n GLY 104 Ca -0.23 -0.02 -0.05 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.59 1.50 0.21 0.99 7.94 -1.26 -4.67 117.00 121.11 2ka0 n LEU 105 Ca 0.01 0.23 0.09 0.00 -1.11 0.00 0.00 56.01 55.23 2ka0 n LEU 105 Cb 0.13 -0.55 0.34 0.00 0.53 0.00 0.00 43.42 43.87 2ka0 n LEU 105 CO 0.04 -0.49 0.75 -0.33 -1.11 0.00 0.00 177.39 176.25 2ka0 h GLU 106 N -0.53 0.00 -0.10 1.96 5.08 -1.97 -2.17 114.58 116.85 2ka0 h GLU 106 Ca 0.00 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.39 2ka0 h GLU 106 Cb 0.53 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 2ka0 h GLU 106 CO 0.00 0.23 0.14 -0.44 -1.00 0.00 0.00 179.01 177.94 2ka0 h ASP 107 N 0.00 0.00 0.86 1.42 5.19 -1.89 -0.25 116.42 121.76 2ka0 h ASP 107 Ca -0.00 0.00 -0.17 0.00 -0.62 0.00 0.00 57.03 56.24 2ka0 h ASP 107 Cb 0.90 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.39 2ka0 h ASP 107 CO 0.03 0.00 -0.79 -0.07 -3.12 0.00 0.00 179.24 175.29 2ka0 h LEU 108 N 0.00 0.00 -0.78 1.55 -0.00 -1.67 -3.31 115.31 111.10 2ka0 h LEU 108 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.93 2ka0 h LEU 108 Cb 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.99 2ka0 h LEU 108 CO -0.00 0.79 0.00 0.29 -0.00 0.00 0.00 178.44 179.52 2ka0 n LYS 109 N -3.54 0.62 -0.77 1.13 5.02 -0.10 -2.48 118.16 118.04 2ka0 n LYS 109 Ca -0.00 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2ka0 n LYS 109 Cb 0.78 -1.24 -0.01 0.00 -0.02 0.00 0.00 35.03 34.54 2ka0 n LYS 109 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 2ka0 n LYS 110 N 0.04 0.00 -4.27 1.97 -0.00 -1.25 -5.10 118.16 109.55 2ka0 n LYS 110 Ca 0.00 -0.94 -0.35 0.00 -0.00 0.00 0.00 58.31 57.02 2ka0 n LYS 110 Cb 0.12 -0.14 -0.09 0.00 -0.00 0.00 0.00 35.03 34.93 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 0.00 4.50 0.80 0.58 -1.09 -1.03 -4.81 121.20 120.14 2ka0 s ILE 111 Ca 0.07 -0.24 -0.08 0.00 -2.23 0.00 0.00 60.65 58.17 2ka0 s ILE 111 Cb 0.08 -2.93 0.13 0.00 -1.58 0.00 0.00 42.46 38.15 2ka0 s ILE 111 CO -0.03 0.56 1.12 -0.54 -1.23 0.00 0.00 174.94 174.81 2ka0 s LYS 112 N -1.06 1.53 -0.06 2.79 -0.14 -1.26 -4.98 119.74 116.56 2ka0 s LYS 112 Ca 0.15 -0.53 -0.02 0.00 -1.36 0.00 0.00 55.97 54.22 2ka0 s LYS 112 Cb -0.11 -2.10 -0.05 0.00 -1.68 0.00 0.00 37.83 33.89 2ka0 s LYS 112 CO 0.05 -1.70 2.48 -3.47 -0.76 0.00 0.00 175.35 171.95 2ka0 n ASP 113 N -3.19 5.50 0.00 2.83 2.03 -1.26 -4.04 116.55 118.42 2ka0 n ASP 113 Ca 0.12 -2.54 0.00 0.00 0.52 0.00 0.00 54.79 52.89 2ka0 n ASP 113 Cb 0.60 -1.21 0.00 0.00 -0.72 0.00 0.00 41.12 39.80 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 1.61 -1.80 0.39 0.27 0.00 -0.95 -4.74 105.19 99.97 2ka0 n GLY 114 Ca 0.17 0.70 0.07 0.00 0.00 0.00 0.00 46.02 46.97 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 1.27 -3.22 1.61 -0.58 -1.26 -4.91 120.64 113.55 2ka0 n GLU 115 Ca 0.00 -2.76 -0.13 0.00 -0.42 0.00 0.00 57.16 53.86 2ka0 n GLU 115 Cb 0.00 -1.41 0.01 0.00 -0.57 0.00 0.00 31.44 29.47 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 -1.12 -1.25 -2.31 3.49 5.02 -1.25 -1.02 118.16 119.72 2ka0 n LYS 116 Ca 0.16 1.27 -0.41 0.00 -2.02 0.00 0.00 58.31 57.30 2ka0 n LYS 116 Cb 0.69 -2.05 -0.03 0.00 -0.02 0.00 0.00 35.03 33.62 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 -1.31 3.70 -0.82 -0.18 0.11 -0.11 -4.20 120.40 117.59 2ka0 s VAL 117 Ca 0.13 0.59 -0.25 0.00 -2.93 0.00 0.00 61.98 59.52 2ka0 s VAL 117 Cb -0.02 -4.30 0.04 0.00 -1.53 0.00 0.00 36.38 30.57 2ka0 s VAL 117 CO 0.40 -1.07 1.31 0.00 -3.33 0.00 0.00 175.10 172.41 2ka0 s ALA 118 N 6.53 2.77 -0.25 1.54 0.00 0.75 -2.30 121.76 130.80 2ka0 s ALA 118 Ca 0.57 -1.69 -0.29 0.00 0.00 0.00 0.00 51.96 50.54 2ka0 s ALA 118 Cb -0.12 -4.31 0.00 0.00 0.00 0.00 0.00 23.12 18.69 2ka0 s ALA 118 CO 0.25 -3.35 1.19 0.08 0.00 0.00 0.00 175.76 173.93 2ka0 s VAL 119 N 5.34 4.36 0.35 0.00 1.01 0.56 -1.03 120.40 131.00 2ka0 s VAL 119 Ca 0.37 1.60 0.03 0.00 0.00 0.00 0.00 61.98 63.99 2ka0 s VAL 119 Cb -0.06 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 2ka0 s VAL 119 CO 0.07 -0.33 0.10 -0.13 0.00 0.00 0.00 175.10 174.81 2ka0 s ARG 120 N 3.68 1.72 0.03 2.72 0.52 -0.25 -1.31 118.95 126.06 2ka0 s ARG 120 Ca 0.51 -2.00 0.28 0.00 -0.52 0.00 0.00 55.73 54.00 2ka0 s ARG 120 Cb -0.17 -0.58 1.16 0.00 0.52 0.00 0.00 34.95 35.88 2ka0 s ARG 120 CO 0.16 -0.35 1.89 1.19 0.02 0.00 0.00 175.30 178.21 2ka0 n PHE 121 N -0.73 0.12 -2.13 -0.53 3.72 -1.26 -0.32 117.46 116.32 2ka0 n PHE 121 Ca -0.03 0.03 -0.03 0.00 -0.05 0.00 0.00 57.45 57.38 2ka0 n PHE 121 Cb 0.66 -0.56 -0.02 0.00 -0.94 0.00 0.00 39.48 38.62 2ka0 n PHE 121 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2ka0 n ALA 122 N -1.54 -3.17 -1.40 4.37 0.00 -1.26 -3.23 120.51 114.28 2ka0 n ALA 122 Ca 0.07 1.28 -0.25 0.00 0.00 0.00 0.00 53.44 54.54 2ka0 n ALA 122 Cb 0.34 -2.60 0.13 0.00 0.00 0.00 0.00 19.45 17.32 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 1.15 5.18 0.00 0.00 7.64 -1.26 -4.87 113.62 121.46 2ka0 n SER 123 Ca -0.21 -3.73 0.00 0.00 1.01 0.00 0.00 58.87 55.94 2ka0 n SER 123 Cb 0.32 -0.80 0.00 0.00 -1.01 0.00 0.00 64.21 62.72 2ka0 n SER 123 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83