#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 1.17 -0.02 2.12 1.81 -1.26 -1.28 118.95 121.49 2ka0 s ARG 2 Ca 0.00 1.42 -0.17 0.00 -1.72 0.00 0.00 55.73 55.26 2ka0 s ARG 2 Cb 0.00 -1.75 0.03 0.00 -0.45 0.00 0.00 34.95 32.78 2ka0 s ARG 2 CO 0.00 -2.48 0.37 0.08 -0.68 0.00 0.00 175.30 172.58 2ka0 s VAL 3 N -2.70 0.05 -0.04 3.52 1.01 -0.28 -4.48 120.40 117.48 2ka0 s VAL 3 Ca 0.66 -0.39 0.05 0.00 0.00 0.00 0.00 61.98 62.30 2ka0 s VAL 3 Cb -0.22 -0.67 -0.02 0.00 0.00 0.00 0.00 36.38 35.47 2ka0 s VAL 3 CO 0.58 -0.22 -0.19 -0.70 0.00 0.00 0.00 175.10 174.57 2ka0 s GLU 4 N -1.26 2.35 -0.22 2.72 2.12 0.37 -0.86 118.70 123.92 2ka0 s GLU 4 Ca -0.13 -0.79 -0.04 0.00 0.36 0.00 0.00 54.97 54.37 2ka0 s GLU 4 Cb -0.04 -2.24 -0.01 0.00 0.26 0.00 0.00 34.13 32.10 2ka0 s GLU 4 CO 0.05 0.59 -0.04 -0.51 -0.54 0.00 0.00 175.26 174.81 2ka0 s LEU 5 N -0.67 2.94 -0.00 2.70 1.43 -0.13 -0.52 118.68 124.43 2ka0 s LEU 5 Ca 0.11 -0.44 0.08 0.00 -1.03 0.00 0.00 54.13 52.84 2ka0 s LEU 5 Cb -0.10 -1.74 -0.02 0.00 0.03 0.00 0.00 46.19 44.36 2ka0 s LEU 5 CO -0.00 -0.03 -0.24 -0.22 0.23 0.00 0.00 176.35 176.08 2ka0 s LEU 6 N 1.47 2.07 0.27 1.79 0.20 -0.86 -0.29 118.68 123.33 2ka0 s LEU 6 Ca 0.05 -0.46 0.04 0.00 0.69 0.00 0.00 54.13 54.45 2ka0 s LEU 6 Cb -0.14 -1.23 -0.06 0.00 -0.43 0.00 0.00 46.19 44.33 2ka0 s LEU 6 CO -0.03 0.28 -0.00 -0.36 -0.29 0.00 0.00 176.35 175.95 2ka0 s PHE 7 N -0.62 1.76 0.42 5.38 0.08 0.89 0.47 117.98 126.36 2ka0 s PHE 7 Ca 0.10 -0.87 0.39 0.00 0.12 0.00 0.00 56.93 56.67 2ka0 s PHE 7 Cb -0.09 -1.05 2.05 0.00 -0.57 0.00 0.00 43.02 43.36 2ka0 s PHE 7 CO -0.00 0.05 2.20 0.93 -0.10 0.00 0.00 175.22 178.30 2ka0 h GLU 8 N 2.33 0.00 0.00 0.44 5.08 -1.39 -3.24 114.58 117.80 2ka0 h GLU 8 Ca -0.39 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 57.81 2ka0 h GLU 8 Cb 1.23 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.45 2ka0 h GLU 8 CO 0.66 0.00 -1.88 0.43 -1.00 0.00 0.00 179.01 177.22 2ka0 n SER 9 N -2.95 1.39 0.00 1.42 7.64 -1.26 -5.10 113.62 114.76 2ka0 n SER 9 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.86 2ka0 n SER 9 Cb 0.11 1.23 0.00 0.00 -1.01 0.00 0.00 64.21 64.54 2ka0 n SER 9 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ka0 n GLY 10 N 1.89 -0.65 3.53 0.23 0.00 -1.23 -5.01 105.19 103.95 2ka0 n GLY 10 Ca -0.15 -0.48 -0.09 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.05 0.73 0.31 1.61 -2.85 -1.26 -0.08 119.74 118.16 2ka0 s LYS 11 Ca 0.00 -0.17 0.04 0.00 -1.00 0.00 0.00 55.97 54.83 2ka0 s LYS 11 Cb 0.00 0.34 -0.04 0.00 -2.06 0.00 0.00 37.83 36.07 2ka0 s LYS 11 CO 0.00 -0.30 0.18 0.00 0.10 0.00 0.00 175.35 175.32 2ka0 s VAL 13 N -3.58 0.74 -0.10 0.00 1.01 -0.66 -0.95 120.40 116.86 2ka0 s VAL 13 Ca 0.36 -0.21 0.03 0.00 0.00 0.00 0.00 61.98 62.16 2ka0 s VAL 13 Cb 0.04 -0.75 0.00 0.00 0.00 0.00 0.00 36.38 35.68 2ka0 s VAL 13 CO 0.19 0.28 -0.21 0.27 0.00 0.00 0.00 175.10 175.63 2ka0 s ILE 14 N 1.08 1.88 -0.12 2.22 -4.36 -0.04 -2.31 121.20 119.56 2ka0 s ILE 14 Ca -0.08 -0.91 -0.13 0.00 -0.26 0.00 0.00 60.65 59.27 2ka0 s ILE 14 Cb -0.14 -1.65 -0.05 0.00 1.25 0.00 0.00 42.46 41.87 2ka0 s ILE 14 CO -0.01 0.52 0.29 -0.62 0.24 0.00 0.00 174.94 175.37 2ka0 s ASP 15 N 0.50 6.51 -0.08 4.36 2.15 -0.52 -1.12 116.67 128.47 2ka0 s ASP 15 Ca -0.16 0.60 0.03 0.00 0.43 0.00 0.00 52.55 53.45 2ka0 s ASP 15 Cb -0.17 -2.18 0.01 0.00 -0.30 0.00 0.00 42.92 40.27 2ka0 s ASP 15 CO 0.06 0.19 -0.18 -0.76 -0.17 0.00 0.00 175.17 174.31 2ka0 s LEU 16 N -0.08 1.86 0.22 -1.34 1.43 -0.40 -2.21 118.68 118.16 2ka0 s LEU 16 Ca 0.18 -0.42 -0.30 0.00 -1.03 0.00 0.00 54.13 52.56 2ka0 s LEU 16 Cb -0.14 -1.10 -0.09 0.00 0.03 0.00 0.00 46.19 44.90 2ka0 s LEU 16 CO 0.06 0.10 1.23 0.21 0.23 0.00 0.00 176.35 178.18 2ka0 s ASN 17 N 0.46 7.02 -0.42 2.29 2.47 -1.25 -0.71 114.94 124.79 2ka0 s ASN 17 Ca -0.15 2.34 -0.03 0.00 0.42 0.00 0.00 52.86 55.44 2ka0 s ASN 17 Cb -0.16 -2.61 0.15 0.00 -1.45 0.00 0.00 41.25 37.17 2ka0 s ASN 17 CO 0.06 -0.41 2.41 -0.62 -3.72 0.00 0.00 177.10 174.82 2ka0 n GLU 18 N 2.20 2.19 -1.03 0.43 1.02 -1.26 -4.16 120.64 120.03 2ka0 n GLU 18 Ca 0.04 -2.11 0.05 0.00 -0.02 0.00 0.00 57.16 55.11 2ka0 n GLU 18 Cb 0.44 -1.94 0.12 0.00 -0.02 0.00 0.00 31.44 30.04 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 0.53 0.90 -4.40 3.49 1.02 -1.26 -5.00 120.64 115.91 2ka0 n GLU 19 Ca 0.42 -2.73 -0.19 0.00 -0.02 0.00 0.00 57.16 54.64 2ka0 n GLU 19 Cb 0.56 -0.90 -0.15 0.00 -0.02 0.00 0.00 31.44 30.93 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 -1.80 0.88 0.10 -0.32 2.02 -1.26 -5.06 117.35 111.90 2ka0 s TYR 20 Ca 0.36 -0.17 -0.24 0.00 -0.37 0.00 0.00 57.07 56.65 2ka0 s TYR 20 Cb 0.38 -0.57 -0.08 0.00 -0.40 0.00 0.00 41.96 41.29 2ka0 s TYR 20 CO -0.11 -0.03 1.40 1.49 -1.57 0.00 0.00 175.55 176.73 2ka0 h GLU 21 N 5.97 -0.24 -1.00 -0.62 4.57 -1.96 -2.61 114.58 118.70 2ka0 h GLU 21 Ca -0.31 0.02 0.17 0.00 -1.18 0.00 0.00 59.36 58.05 2ka0 h GLU 21 Cb 1.18 0.05 -0.10 0.00 -0.16 0.00 0.00 28.75 29.72 2ka0 h GLU 21 CO 0.49 -0.16 0.62 -0.24 -1.18 0.00 0.00 179.01 178.54 2ka0 h VAL 22 N -0.25 0.77 -0.30 0.32 3.04 -1.92 -0.19 116.25 117.71 2ka0 h VAL 22 Ca 0.06 -0.28 -0.06 0.00 -1.01 0.00 0.00 66.70 65.42 2ka0 h VAL 22 Cb 0.41 -0.11 -0.01 0.00 -2.01 0.00 0.00 31.29 29.57 2ka0 h VAL 22 CO -0.47 0.15 -0.03 0.58 -1.01 0.00 0.00 177.57 176.79 2ka0 h VAL 23 N 0.81 1.27 -0.18 1.51 2.07 -1.80 -0.98 116.25 118.95 2ka0 h VAL 23 Ca 0.55 -1.02 0.05 0.00 0.82 0.00 0.00 66.70 67.10 2ka0 h VAL 23 Cb 0.79 1.33 -0.06 0.00 -1.52 0.00 0.00 31.29 31.83 2ka0 h VAL 23 CO -0.33 0.33 -0.25 0.11 0.02 0.00 0.00 177.57 177.44 2ka0 h LYS 24 N 0.34 -0.28 -0.49 1.57 1.57 -0.76 -2.82 116.57 115.69 2ka0 h LYS 24 Ca 0.08 0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.85 2ka0 h LYS 24 Cb 0.49 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 2ka0 h LYS 24 CO 0.02 -0.19 0.20 -0.07 -0.57 0.00 0.00 179.45 178.85 2ka0 h LEU 25 N -0.29 0.67 -1.98 2.94 -0.00 -0.98 -1.47 115.31 114.19 2ka0 h LEU 25 Ca 0.12 -0.16 0.20 0.00 -0.00 0.00 0.00 57.88 58.04 2ka0 h LEU 25 Cb 0.47 -0.17 -0.03 0.00 -0.00 0.00 0.00 40.66 40.93 2ka0 h LEU 25 CO -0.35 0.65 0.54 -0.07 -0.00 0.00 0.00 178.44 179.22 2ka0 h LEU 26 N 0.65 0.00 -2.06 1.67 3.38 -1.02 -1.92 115.31 116.02 2ka0 h LEU 26 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2ka0 h LEU 26 Cb 0.18 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 2ka0 h LEU 26 CO -0.01 0.00 0.00 0.50 0.09 0.00 0.00 178.44 179.02 2ka0 h LYS 27 N 0.00 0.00 -0.07 1.13 3.64 -1.02 0.29 116.57 120.55 2ka0 h LYS 27 Ca 0.33 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.52 2ka0 h LYS 27 Cb 1.42 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.24 2ka0 h LYS 27 CO -0.00 0.00 -0.79 0.93 -2.27 0.00 0.00 179.45 177.32 2ka0 h GLU 28 N 0.00 0.44 -0.82 1.90 4.39 -1.51 -3.28 114.58 115.69 2ka0 h GLU 28 Ca 0.00 -0.38 -0.03 0.00 0.34 0.00 0.00 59.36 59.29 2ka0 h GLU 28 Cb 0.00 0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.73 2ka0 h GLU 28 CO -0.00 1.03 0.03 1.63 -1.16 0.00 0.00 179.01 180.54 2ka0 n LYS 29 N -3.82 2.71 -4.69 2.33 4.01 0.06 -4.87 118.16 113.89 2ka0 n LYS 29 Ca -0.05 -1.48 -0.24 0.00 -0.51 0.00 0.00 58.31 56.03 2ka0 n LYS 29 Cb 0.74 -1.83 -0.15 0.00 -0.51 0.00 0.00 35.03 33.28 2ka0 n LYS 29 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 2ka0 s ILE 30 N -1.80 1.20 0.59 -0.18 1.01 -1.03 -3.65 121.20 117.33 2ka0 s ILE 30 Ca 0.26 -0.62 -0.17 0.00 0.00 0.00 0.00 60.65 60.12 2ka0 s ILE 30 Cb 0.20 -1.02 -0.04 0.00 0.01 0.00 0.00 42.46 41.61 2ka0 s ILE 30 CO 0.07 0.35 1.09 -2.16 0.00 0.00 0.00 174.94 174.29 2ka0 s PRO 31 N -0.13 3.23 0.16 2.79 0.04 -1.26 -4.95 135.00 134.88 2ka0 s PRO 31 Ca 0.01 1.37 -0.01 0.00 0.04 0.00 0.00 61.00 62.42 2ka0 s PRO 31 Cb -0.08 -2.01 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 2ka0 s PRO 31 CO 0.00 -0.91 0.09 -0.59 0.04 0.00 0.00 177.00 175.64 2ka0 s PHE 32 N -2.20 1.02 0.12 0.56 -0.71 0.03 -4.97 117.98 111.82 2ka0 s PHE 32 Ca 0.67 -1.29 0.05 0.00 -1.04 0.00 0.00 56.93 55.32 2ka0 s PHE 32 Cb -0.19 -0.53 -0.04 0.00 -1.21 0.00 0.00 43.02 41.05 2ka0 s PHE 32 CO 0.34 -0.56 -0.13 -1.21 -1.34 0.00 0.00 175.22 172.32 2ka0 s GLU 33 N -4.09 0.99 0.03 1.99 2.02 -1.26 0.27 118.70 118.65 2ka0 s GLU 33 Ca 0.31 -1.24 -0.28 0.00 0.02 0.00 0.00 54.97 53.79 2ka0 s GLU 33 Cb 0.07 -0.82 0.09 0.00 0.10 0.00 0.00 34.13 33.57 2ka0 s GLU 33 CO 0.07 0.15 0.89 0.45 0.02 0.00 0.00 175.26 176.83 2ka0 s SER 34 N -2.49 -0.34 0.06 -0.19 0.15 -1.24 -4.96 113.70 104.69 2ka0 s SER 34 Ca 0.09 -0.07 -0.31 0.00 0.70 0.00 0.00 55.95 56.36 2ka0 s SER 34 Cb -0.04 0.41 -0.07 0.00 -1.71 0.00 0.00 66.02 64.61 2ka0 s SER 34 CO 0.02 -0.68 1.36 -0.69 1.20 0.00 0.00 173.24 174.45 2ka0 s VAL 35 N -3.18 3.57 -1.18 4.45 1.01 -1.26 -0.47 120.40 123.34 2ka0 s VAL 35 Ca 0.06 1.08 -0.19 0.00 0.00 0.00 0.00 61.98 62.93 2ka0 s VAL 35 Cb -0.01 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 2ka0 s VAL 35 CO -0.07 0.05 1.99 0.52 0.00 0.00 0.00 175.10 177.59 2ka0 n VAL 36 N 4.21 2.84 -1.66 2.92 0.31 -1.26 -4.32 118.33 121.38 2ka0 n VAL 36 Ca 0.12 -2.67 -0.34 0.00 -0.01 0.00 0.00 64.34 61.44 2ka0 n VAL 36 Cb 0.43 -2.40 0.07 0.00 -0.91 0.00 0.00 33.84 31.03 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 4.44 4.69 0.07 4.52 0.01 -0.50 -1.77 114.94 126.39 2ka0 s ASN 37 Ca 0.55 2.25 -0.01 0.00 -0.71 0.00 0.00 52.86 54.94 2ka0 s ASN 37 Cb 0.10 -2.58 -0.04 0.00 0.41 0.00 0.00 41.25 39.14 2ka0 s ASN 37 CO 0.04 -1.92 -0.02 0.42 -1.51 0.00 0.00 177.10 174.11 2ka0 s THR 38 N -2.01 0.26 -0.38 1.60 -4.23 -1.26 -1.10 115.64 108.53 2ka0 s THR 38 Ca 0.73 -1.84 0.07 0.00 -1.18 0.00 0.00 61.69 59.46 2ka0 s THR 38 Cb -0.27 -1.64 0.19 0.00 1.34 0.00 0.00 72.50 72.12 2ka0 s THR 38 CO 0.41 -0.88 0.63 0.86 -0.54 0.00 0.00 174.62 175.10 2ka0 s TRP 39 N -3.91 -1.73 -0.32 3.99 -0.00 -0.53 -4.97 118.94 111.47 2ka0 s TRP 39 Ca 0.11 0.46 -0.15 0.00 -0.00 0.00 0.00 56.10 56.52 2ka0 s TRP 39 Cb 0.08 0.31 0.02 0.00 -0.00 0.00 0.00 33.47 33.88 2ka0 s TRP 39 CO -0.07 -1.12 0.36 0.41 -0.00 0.00 0.00 176.95 176.52 2ka0 n GLY 40 N 4.66 -1.45 2.33 5.86 0.00 -1.26 -2.66 105.19 112.67 2ka0 n GLY 40 Ca 0.09 0.81 -0.16 0.00 0.00 0.00 0.00 46.02 46.76 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 0.28 -1.68 -4.24 1.61 4.71 -1.26 -4.01 120.64 116.05 2ka0 n GLU 41 Ca 0.02 0.86 -0.20 0.00 -0.01 0.00 0.00 57.16 57.83 2ka0 n GLU 41 Cb 0.41 -5.34 -0.12 0.00 -1.01 0.00 0.00 31.44 25.38 2ka0 n GLU 41 CO 0.00 0.00 0.00 -2.00 0.09 0.00 0.00 177.13 175.22 2ka0 s GLU 42 N -4.24 0.94 0.00 3.49 2.12 -1.09 -2.89 118.70 117.03 2ka0 s GLU 42 Ca 0.00 -0.99 0.06 0.00 0.36 0.00 0.00 54.97 54.40 2ka0 s GLU 42 Cb 0.00 -1.02 -0.02 0.00 0.26 0.00 0.00 34.13 33.35 2ka0 s GLU 42 CO 0.00 0.24 -0.20 0.42 -0.54 0.00 0.00 175.26 175.18 2ka0 s ILE 43 N -1.18 1.56 0.27 -3.70 1.01 -1.18 -1.45 121.20 116.53 2ka0 s ILE 43 Ca 0.01 -0.93 -0.07 0.00 0.00 0.00 0.00 60.65 59.66 2ka0 s ILE 43 Cb -0.10 -1.31 -0.01 0.00 0.01 0.00 0.00 42.46 41.05 2ka0 s ILE 43 CO 0.03 0.37 0.42 -0.72 0.00 0.00 0.00 174.94 175.03 2ka0 s TYR 44 N -0.55 0.72 -0.01 3.97 1.13 -0.25 -1.47 117.35 120.88 2ka0 s TYR 44 Ca 0.07 -1.02 -0.25 0.00 -1.41 0.00 0.00 57.07 54.46 2ka0 s TYR 44 Cb -0.08 -0.02 0.05 0.00 -1.10 0.00 0.00 41.96 40.81 2ka0 s TYR 44 CO -0.00 -0.98 0.55 -0.59 -2.51 0.00 0.00 175.55 172.02 2ka0 s PHE 45 N -3.72 -0.49 -0.71 -3.49 -0.71 -1.26 -1.41 117.98 106.18 2ka0 s PHE 45 Ca 0.28 0.75 -0.26 0.00 -1.04 0.00 0.00 56.93 56.66 2ka0 s PHE 45 Cb 0.01 0.32 -0.00 0.00 -1.21 0.00 0.00 43.02 42.14 2ka0 s PHE 45 CO 0.13 -0.57 1.64 -1.54 -1.34 0.00 0.00 175.22 173.53 2ka0 s SER 46 N -1.45 5.66 0.57 1.98 1.04 -1.26 -1.72 113.70 118.52 2ka0 s SER 46 Ca -0.10 -0.16 -0.19 0.00 0.48 0.00 0.00 55.95 55.97 2ka0 s SER 46 Cb -0.01 -2.55 -0.05 0.00 0.10 0.00 0.00 66.02 63.51 2ka0 s SER 46 CO 0.05 -2.16 1.18 0.42 0.98 0.00 0.00 173.24 173.71 2ka0 s THR 47 N 7.71 2.83 -1.70 2.02 -4.23 -0.98 -4.88 115.64 116.42 2ka0 s THR 47 Ca 0.55 0.52 0.30 0.00 -1.18 0.00 0.00 61.69 61.87 2ka0 s THR 47 Cb -0.10 -3.21 0.67 0.00 1.34 0.00 0.00 72.50 71.21 2ka0 s THR 47 CO 0.14 -0.11 2.07 -0.81 -0.54 0.00 0.00 174.62 175.38 2ka0 n PRO 48 N -1.43 0.66 -3.92 3.99 -0.04 -1.26 -4.77 135.00 128.24 2ka0 n PRO 48 Ca 0.13 0.01 -0.31 0.00 -0.04 0.00 0.00 63.50 63.28 2ka0 n PRO 48 Cb 0.50 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.42 2ka0 n PRO 48 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2ka0 s VAL 49 N -2.30 5.36 -0.05 0.52 1.01 -1.26 -5.05 120.40 118.63 2ka0 s VAL 49 Ca 0.36 -0.39 0.07 0.00 0.00 0.00 0.00 61.98 62.01 2ka0 s VAL 49 Cb 0.20 -3.61 0.10 0.00 0.00 0.00 0.00 36.38 33.07 2ka0 s VAL 49 CO 0.40 0.15 0.97 -0.46 0.00 0.00 0.00 175.10 176.16 2ka0 n ASN 50 N 0.33 1.32 -4.64 3.32 6.94 -1.26 -4.80 115.26 116.47 2ka0 n ASN 50 Ca -0.05 -2.21 -0.43 0.00 -0.02 0.00 0.00 54.58 51.87 2ka0 n ASN 50 Cb 0.51 -0.20 -0.03 0.00 -2.36 0.00 0.00 39.78 37.71 2ka0 n ASN 50 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 2ka0 s VAL 51 N -1.25 3.61 -2.59 3.53 1.01 -1.26 -4.88 120.40 118.57 2ka0 s VAL 51 Ca 0.11 0.71 0.24 0.00 0.00 0.00 0.00 61.98 63.04 2ka0 s VAL 51 Cb 0.10 -3.55 0.40 0.00 0.00 0.00 0.00 36.38 33.33 2ka0 s VAL 51 CO 0.01 -0.16 1.49 0.00 0.00 0.00 0.00 175.10 176.44 2ka0 n GLN 52 N 7.45 2.04 -2.62 2.72 6.02 -1.26 -4.74 117.38 126.99 2ka0 n GLN 52 Ca 0.19 -1.54 -0.41 0.00 -0.01 0.00 0.00 57.00 55.23 2ka0 n GLN 52 Cb 0.44 -1.46 -0.03 0.00 1.02 0.00 0.00 30.24 30.21 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 -1.85 3.32 -0.18 -1.09 2.20 -1.26 -4.96 119.74 115.92 2ka0 s LYS 53 Ca 0.34 -0.67 -0.23 0.00 -0.36 0.00 0.00 55.97 55.05 2ka0 s LYS 53 Cb 0.20 -4.59 -0.02 0.00 -1.51 0.00 0.00 37.83 31.92 2ka0 s LYS 53 CO 0.30 -2.10 0.74 0.00 -0.36 0.00 0.00 175.35 173.93 2ka0 s MET 54 N 5.11 4.25 -0.01 4.03 0.23 -1.26 -4.77 119.30 126.88 2ka0 s MET 54 Ca 0.37 0.83 0.20 0.00 -1.03 0.00 0.00 55.69 56.06 2ka0 s MET 54 Cb -0.07 -3.58 -0.22 0.00 -1.53 0.00 0.00 34.83 29.44 2ka0 s MET 54 CO 0.05 -0.29 0.56 0.39 -2.03 0.00 0.00 175.02 173.70 2ka0 n GLU 55 N 5.18 0.65 -3.23 3.16 -0.58 -1.26 -4.59 120.64 119.96 2ka0 n GLU 55 Ca 0.02 0.01 -0.25 0.00 -0.42 0.00 0.00 57.16 56.52 2ka0 n GLU 55 Cb 0.49 -1.64 -0.07 0.00 -0.57 0.00 0.00 31.44 29.65 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 -2.60 0.50 -4.76 1.62 5.15 -1.26 -5.12 115.26 108.79 2ka0 n ASN 56 Ca -0.12 -2.75 -0.37 0.00 -0.60 0.00 0.00 54.58 50.74 2ka0 n ASN 56 Cb 0.78 -0.64 0.01 0.00 -0.53 0.00 0.00 39.78 39.40 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 -1.23 3.47 0.31 1.20 0.04 -1.26 -1.97 135.00 135.56 2ka0 s PRO 57 Ca 0.35 1.94 0.03 0.00 0.04 0.00 0.00 61.00 63.36 2ka0 s PRO 57 Cb 0.16 -2.31 -0.04 0.00 0.04 0.00 0.00 34.50 32.35 2ka0 s PRO 57 CO -0.11 -0.83 0.17 1.03 0.04 0.00 0.00 177.00 177.30 2ka0 s ARG 58 N -2.83 1.62 0.00 4.56 1.81 0.00 -4.89 118.95 119.23 2ka0 s ARG 58 Ca 0.68 -1.93 0.00 0.00 -1.72 0.00 0.00 55.73 52.76 2ka0 s ARG 58 Cb -0.33 -0.10 0.00 0.00 -0.45 0.00 0.00 34.95 34.07 2ka0 s ARG 58 CO 0.39 -0.47 0.72 0.39 -0.68 0.00 0.00 175.30 175.65 2ka0 n GLU 59 N -0.60 1.34 -3.79 3.54 1.02 -1.26 -2.90 120.64 117.99 2ka0 n GLU 59 Ca 0.01 -0.98 -0.13 0.00 -0.02 0.00 0.00 57.16 56.04 2ka0 n GLU 59 Cb 0.65 -0.87 -0.13 0.00 -0.02 0.00 0.00 31.44 31.07 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 -0.52 -0.01 0.33 2.62 1.01 -1.26 -4.29 120.40 118.28 2ka0 s VAL 60 Ca 0.00 0.05 0.04 0.00 0.00 0.00 0.00 61.98 62.07 2ka0 s VAL 60 Cb 0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 36.38 36.10 2ka0 s VAL 60 CO 0.00 0.02 0.35 1.33 0.00 0.00 0.00 175.10 176.80 2ka0 n VAL 61 N 3.35 0.00 -2.59 2.92 0.24 -0.99 -5.02 118.33 116.24 2ka0 n VAL 61 Ca -0.16 -2.18 0.00 0.00 -2.04 0.00 0.00 64.34 59.95 2ka0 n VAL 61 Cb 0.57 1.16 0.00 0.00 -1.47 0.00 0.00 33.84 34.10 2ka0 n VAL 61 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2ka0 n GLU 62 N -0.61 1.39 -1.76 7.34 1.02 -1.26 -4.53 120.64 122.23 2ka0 n GLU 62 Ca 0.05 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.84 2ka0 n GLU 62 Cb 0.59 0.00 0.05 0.00 -0.02 0.00 0.00 31.44 32.06 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 -0.82 3.37 0.00 -3.67 5.41 -1.26 -4.42 119.36 117.97 2ka0 n ILE 63 Ca 0.00 -3.82 0.00 0.00 1.00 0.00 0.00 62.75 59.93 2ka0 n ILE 63 Cb 0.00 -1.20 0.00 0.00 -0.71 0.00 0.00 39.64 37.73 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 -0.70 0.00 3.87 7.39 0.00 -1.00 -4.70 105.19 110.04 2ka0 n GLY 64 Ca 0.55 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.32 2ka0 n GLY 64 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ka0 s ASP 65 N 0.00 4.65 -0.03 1.61 1.01 -1.26 -1.77 116.67 120.88 2ka0 s ASP 65 Ca 0.00 -1.16 0.02 0.00 0.71 0.00 0.00 52.55 52.12 2ka0 s ASP 65 Cb 0.00 0.14 0.01 0.00 1.01 0.00 0.00 42.92 44.08 2ka0 s ASP 65 CO 0.00 -0.95 -0.07 -0.69 0.21 0.00 0.00 175.17 173.67 2ka0 s VAL 66 N -2.71 0.65 0.09 -1.27 1.01 -0.74 -3.36 120.40 114.08 2ka0 s VAL 66 Ca 0.36 -0.27 0.09 0.00 0.00 0.00 0.00 61.98 62.16 2ka0 s VAL 66 Cb -0.01 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.72 2ka0 s VAL 66 CO 0.22 0.22 -0.20 -0.83 0.00 0.00 0.00 175.10 174.51 2ka0 s GLY 67 N 0.39 1.63 0.10 4.51 0.00 -1.09 -3.08 107.32 109.77 2ka0 s GLY 67 Ca -0.06 -1.31 -0.22 0.00 0.00 0.00 0.00 44.72 43.13 2ka0 s GLY 67 CO 0.00 -1.26 0.67 -0.47 0.00 0.00 0.00 173.10 172.05 2ka0 s TYR 68 N -1.05 3.83 -0.88 1.90 5.04 -1.26 -1.53 117.35 123.41 2ka0 s TYR 68 Ca 0.16 1.43 -0.08 0.00 -2.44 0.00 0.00 57.07 56.15 2ka0 s TYR 68 Cb -0.10 -2.64 0.22 0.00 0.35 0.00 0.00 41.96 39.79 2ka0 s TYR 68 CO 0.08 0.51 0.80 -0.46 -1.34 0.00 0.00 175.55 175.14 2ka0 s TRP 69 N -0.96 3.86 0.28 4.97 -0.00 -0.07 -4.10 118.94 122.92 2ka0 s TRP 69 Ca 0.33 -2.57 -0.01 0.00 -0.00 0.00 0.00 56.10 53.85 2ka0 s TRP 69 Cb -0.21 -3.57 0.40 0.00 -0.00 0.00 0.00 33.47 30.09 2ka0 s TRP 69 CO 0.22 -0.89 1.80 -1.00 -0.00 0.00 0.00 176.95 177.08 2ka0 h PRO 70 N 6.92 0.77 0.00 5.86 0.13 -1.85 -1.59 132.00 142.24 2ka0 h PRO 70 Ca 0.12 -0.18 -0.02 0.00 -0.87 0.00 0.00 66.00 65.05 2ka0 h PRO 70 Cb 0.93 -0.11 -0.00 0.00 0.13 0.00 0.00 31.00 31.95 2ka0 h PRO 70 CO 0.84 0.74 -0.07 -1.00 -0.23 0.00 0.00 178.00 178.28 2ka0 h PRO 71 N 0.74 0.00 0.00 1.56 0.13 -1.95 -2.78 132.00 129.70 2ka0 h PRO 71 Ca 0.15 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.28 2ka0 h PRO 71 Cb 0.36 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.49 2ka0 h PRO 71 CO 0.01 0.07 -0.16 0.41 -0.23 0.00 0.00 178.00 178.10 2ka0 n GLY 72 N 0.46 4.46 4.05 1.56 0.00 -1.23 -5.03 105.19 109.47 2ka0 n GLY 72 Ca 0.02 -1.07 -0.27 0.00 0.00 0.00 0.00 46.02 44.70 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 -1.21 -2.72 -4.41 1.61 5.02 -0.83 -4.93 118.16 110.69 2ka0 n LYS 73 Ca 0.15 0.33 -0.22 0.00 -2.02 0.00 0.00 58.31 56.55 2ka0 n LYS 73 Cb 0.67 -4.32 -0.09 0.00 -0.02 0.00 0.00 35.03 31.26 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 -4.04 2.36 0.34 7.82 0.00 -0.66 -2.31 121.76 125.27 2ka0 s ALA 74 Ca 0.03 -1.62 0.00 0.00 0.00 0.00 0.00 51.96 50.38 2ka0 s ALA 74 Cb -0.02 0.96 0.00 0.00 0.00 0.00 0.00 23.12 24.07 2ka0 s ALA 74 CO 0.92 -0.43 0.00 -0.11 0.00 0.00 0.00 175.76 176.14 2ka0 n LEU 75 N -0.72 0.00 -3.63 0.00 7.94 -0.70 -0.90 117.00 119.00 2ka0 n LEU 75 Ca -0.02 0.00 -0.11 0.00 -1.11 0.00 0.00 56.01 54.78 2ka0 n LEU 75 Cb 0.65 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 44.53 2ka0 n LEU 75 CO 0.36 -0.48 0.67 0.00 -1.11 0.00 0.00 177.39 176.82 2ka0 s LEU 77 N 0.14 0.73 -0.24 0.00 1.43 -0.54 -2.67 118.68 117.54 2ka0 s LEU 77 Ca 0.02 -0.03 -0.06 0.00 -1.03 0.00 0.00 54.13 53.03 2ka0 s LEU 77 Cb -0.05 -0.29 -0.02 0.00 0.03 0.00 0.00 46.19 45.87 2ka0 s LEU 77 CO -0.04 -0.17 0.03 -0.36 0.23 0.00 0.00 176.35 176.04 2ka0 s PHE 78 N 1.61 3.04 0.00 0.29 0.08 -1.21 -3.08 117.98 118.71 2ka0 s PHE 78 Ca -0.01 -0.67 0.00 0.00 0.12 0.00 0.00 56.93 56.37 2ka0 s PHE 78 Cb -0.13 -2.19 0.00 0.00 -0.57 0.00 0.00 43.02 40.14 2ka0 s PHE 78 CO -0.03 -0.45 0.71 1.97 -0.10 0.00 0.00 175.22 177.32 2ka0 n PHE 79 N 4.87 0.00 0.00 0.36 -1.74 -1.14 -2.39 117.46 117.42 2ka0 n PHE 79 Ca -0.17 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.72 2ka0 n PHE 79 Cb 0.51 -0.01 0.00 0.00 1.52 0.00 0.00 39.48 41.50 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 0.00 1.31 4.97 0.00 -1.25 -5.03 105.19 105.19 2ka0 n GLY 80 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.20 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 -2.69 -3.93 1.61 4.81 -1.26 -4.82 118.16 111.89 2ka0 n LYS 81 Ca 0.00 1.83 -0.10 0.00 -0.87 0.00 0.00 58.31 59.18 2ka0 n LYS 81 Cb 0.00 -3.26 -0.06 0.00 0.02 0.00 0.00 35.03 31.73 2ka0 n LYS 81 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 2ka0 s THR 82 N -2.37 0.05 -1.37 3.15 -4.23 -1.26 -4.22 115.64 105.40 2ka0 s THR 82 Ca 0.00 -1.29 -0.12 0.00 -1.18 0.00 0.00 61.69 59.10 2ka0 s THR 82 Cb 0.00 -1.83 -0.05 0.00 1.34 0.00 0.00 72.50 71.97 2ka0 s THR 82 CO 0.00 -0.24 2.46 -0.81 -0.54 0.00 0.00 174.62 175.49 2ka0 n PRO 83 N -0.25 2.91 0.00 3.99 -0.04 -1.26 -3.35 135.00 137.00 2ka0 n PRO 83 Ca -0.07 -2.19 0.00 0.00 -0.04 0.00 0.00 63.50 61.19 2ka0 n PRO 83 Cb 0.63 -2.94 0.00 0.00 -0.04 0.00 0.00 33.50 31.15 2ka0 n PRO 83 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 2ka0 n MET 84 N 4.97 0.00 -4.21 0.54 1.56 -1.26 -5.12 117.12 113.61 2ka0 n MET 84 Ca 0.61 0.00 -0.26 0.00 -0.27 0.00 0.00 57.70 57.78 2ka0 n MET 84 Cb 0.29 -0.16 -0.08 0.00 2.15 0.00 0.00 33.22 35.42 2ka0 n MET 84 CO 0.00 0.00 0.00 -1.12 -0.73 0.00 0.00 175.97 174.12 2ka0 s SER 85 N -3.09 4.78 0.11 6.12 0.01 -1.21 -5.04 113.70 115.38 2ka0 s SER 85 Ca 0.00 -0.40 0.00 0.00 1.31 0.00 0.00 55.95 56.86 2ka0 s SER 85 Cb 0.00 -1.02 0.00 0.00 0.21 0.00 0.00 66.02 65.21 2ka0 s SER 85 CO 0.00 0.09 0.00 0.47 0.41 0.00 0.00 173.24 174.21 2ka0 n ASP 86 N -0.14 0.70 -0.02 2.44 8.00 -1.26 -4.87 116.55 121.41 2ka0 n ASP 86 Ca -0.10 0.17 -0.13 0.00 0.71 0.00 0.00 54.79 55.44 2ka0 n ASP 86 Cb 0.55 -0.16 -0.09 0.00 -0.02 0.00 0.00 41.12 41.40 2ka0 n ASP 86 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 2ka0 h ASP 87 N 0.00 0.06 -4.72 -2.24 5.19 -2.02 -3.46 116.42 109.23 2ka0 h ASP 87 Ca 0.00 -0.47 -0.28 0.00 -0.62 0.00 0.00 57.03 55.66 2ka0 h ASP 87 Cb 0.16 -0.02 -0.15 0.00 0.18 0.00 0.00 39.33 39.51 2ka0 h ASP 87 CO 0.00 0.52 -0.65 -1.59 -3.12 0.00 0.00 179.24 174.40 2ka0 s LYS 88 N -4.33 1.15 -0.26 3.56 -2.85 -1.26 -5.11 119.74 110.63 2ka0 s LYS 88 Ca -0.16 -1.57 -0.29 0.00 -1.00 0.00 0.00 55.97 52.95 2ka0 s LYS 88 Cb 0.02 -0.15 -0.01 0.00 -2.06 0.00 0.00 37.83 35.64 2ka0 s LYS 88 CO 0.69 -0.20 1.34 0.42 0.10 0.00 0.00 175.35 177.70 2ka0 s ILE 89 N -3.77 4.09 0.04 3.79 1.01 -1.26 -4.74 121.20 120.36 2ka0 s ILE 89 Ca 0.28 1.25 0.07 0.00 0.00 0.00 0.00 60.65 62.25 2ka0 s ILE 89 Cb 0.07 -4.06 -0.02 0.00 0.01 0.00 0.00 42.46 38.46 2ka0 s ILE 89 CO 0.06 -0.39 -0.19 -1.10 0.00 0.00 0.00 174.94 173.32 2ka0 s GLN 90 N 4.13 1.32 1.00 2.79 -0.21 -1.26 -2.34 119.66 125.08 2ka0 s GLN 90 Ca 0.58 -0.90 -0.15 0.00 0.02 0.00 0.00 55.36 54.92 2ka0 s GLN 90 Cb -0.19 -1.41 0.19 0.00 1.00 0.00 0.00 33.01 32.61 2ka0 s GLN 90 CO 0.23 0.36 1.17 -1.25 -2.12 0.00 0.00 175.29 173.67 2ka0 s PRO 91 N -1.13 0.42 0.49 2.91 0.04 -1.26 -4.66 135.00 131.81 2ka0 s PRO 91 Ca 0.06 0.07 0.16 0.00 0.04 0.00 0.00 61.00 61.34 2ka0 s PRO 91 Cb -0.09 -1.78 1.18 0.00 0.04 0.00 0.00 34.50 33.86 2ka0 s PRO 91 CO 0.02 -2.64 2.08 0.00 0.04 0.00 0.00 177.00 176.49 2ka0 h ALA 92 N -1.81 1.79 -2.82 8.56 0.00 -1.99 -3.46 119.26 119.52 2ka0 h ALA 92 Ca -0.48 -0.09 -0.18 0.00 0.00 0.00 0.00 54.91 54.16 2ka0 h ALA 92 Cb 1.30 -0.02 -0.10 0.00 0.00 0.00 0.00 17.79 18.98 2ka0 h ALA 92 CO 0.50 0.12 -0.25 0.45 0.00 0.00 0.00 179.25 180.07 2ka0 s SER 93 N -6.95 0.37 -1.01 0.00 0.15 -1.26 -5.05 113.70 99.95 2ka0 s SER 93 Ca -0.04 -1.25 -0.24 0.00 0.70 0.00 0.00 55.95 55.12 2ka0 s SER 93 Cb 0.16 0.57 -0.09 0.00 -1.71 0.00 0.00 66.02 64.96 2ka0 s SER 93 CO 0.67 -1.14 2.00 0.00 1.20 0.00 0.00 173.24 175.97 2ka0 s ALA 94 N -3.67 1.52 0.23 5.45 0.00 -1.26 -4.83 121.76 119.20 2ka0 s ALA 94 Ca 0.29 -1.68 -0.10 0.00 0.00 0.00 0.00 51.96 50.48 2ka0 s ALA 94 Cb 0.01 -4.62 -0.07 0.00 0.00 0.00 0.00 23.12 18.44 2ka0 s ALA 94 CO 0.14 -5.25 0.55 0.14 0.00 0.00 0.00 175.76 171.33 2ka0 s VAL 95 N 11.46 4.94 1.02 0.00 -7.23 -1.14 -4.78 120.40 124.66 2ka0 s VAL 95 Ca 0.72 0.46 -0.16 0.00 -1.81 0.00 0.00 61.98 61.20 2ka0 s VAL 95 Cb -0.05 -3.62 0.20 0.00 0.56 0.00 0.00 36.38 33.48 2ka0 s VAL 95 CO 0.07 -0.07 1.20 0.54 -0.31 0.00 0.00 175.10 176.52 2ka0 s ASN 96 N -2.36 2.61 -0.43 4.85 2.20 -1.26 -0.82 114.94 119.73 2ka0 s ASN 96 Ca 0.47 0.61 0.05 0.00 -0.94 0.00 0.00 52.86 53.05 2ka0 s ASN 96 Cb -0.11 -0.89 0.44 0.00 -2.00 0.00 0.00 41.25 38.68 2ka0 s ASN 96 CO 0.21 -3.08 1.31 0.52 -2.94 0.00 0.00 177.10 173.13 2ka0 n VAL 97 N -4.06 2.67 -0.26 3.54 0.31 -0.83 -3.92 118.33 115.78 2ka0 n VAL 97 Ca 0.12 -4.35 -0.07 0.00 -0.01 0.00 0.00 64.34 60.02 2ka0 n VAL 97 Cb 0.59 -1.20 0.05 0.00 -0.91 0.00 0.00 33.84 32.38 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 2.19 1.26 -1.56 2.52 3.07 -1.82 -3.45 117.51 119.72 2ka0 h ILE 98 Ca 0.39 -0.99 -0.47 0.00 1.55 0.00 0.00 64.86 65.33 2ka0 h ILE 98 Cb 1.13 0.54 -0.02 0.00 -0.27 0.00 0.00 36.82 38.20 2ka0 h ILE 98 CO 0.93 0.38 -0.36 -0.83 -1.05 0.00 0.00 178.15 177.22 2ka0 s GLY 99 N -3.47 2.02 -0.02 0.16 0.00 -1.18 -3.95 107.32 100.89 2ka0 s GLY 99 Ca -0.12 -1.78 0.00 0.00 0.00 0.00 0.00 44.72 42.82 2ka0 s GLY 99 CO 0.85 -1.62 0.00 1.25 0.00 0.00 0.00 173.10 173.58 2ka0 s LYS 100 N -4.17 0.19 -0.93 2.90 2.47 -0.94 -1.80 119.74 117.47 2ka0 s LYS 100 Ca 0.49 0.06 -0.24 0.00 -1.56 0.00 0.00 55.97 54.71 2ka0 s LYS 100 Cb -0.05 -0.34 -0.01 0.00 -1.46 0.00 0.00 37.83 35.97 2ka0 s LYS 100 CO 0.29 -0.09 1.75 0.42 0.16 0.00 0.00 175.35 177.88 2ka0 s ILE 101 N 0.73 3.62 0.15 5.43 1.01 -0.73 -1.43 121.20 129.98 2ka0 s ILE 101 Ca -0.07 -0.47 0.19 0.00 0.00 0.00 0.00 60.65 60.30 2ka0 s ILE 101 Cb -0.10 -4.40 0.13 0.00 0.01 0.00 0.00 42.46 38.11 2ka0 s ILE 101 CO -0.02 -1.32 1.72 -0.37 0.00 0.00 0.00 174.94 174.95 2ka0 h VAL 102 N 7.05 0.87 -3.11 2.92 -1.51 -1.69 -3.43 116.25 117.35 2ka0 h VAL 102 Ca 0.11 -1.55 -0.08 0.00 -1.23 0.00 0.00 66.70 63.95 2ka0 h VAL 102 Cb 1.01 1.95 -0.16 0.00 -2.13 0.00 0.00 31.29 31.96 2ka0 h VAL 102 CO 1.29 0.37 -0.13 -1.61 -1.23 0.00 0.00 177.57 176.26 2ka0 s GLU 103 N -3.57 0.91 0.00 5.19 0.41 -1.16 -4.94 118.70 115.54 2ka0 s GLU 103 Ca 0.00 -0.41 0.00 0.00 -0.41 0.00 0.00 54.97 54.15 2ka0 s GLU 103 Cb 0.11 0.40 0.00 0.00 -1.78 0.00 0.00 34.13 32.86 2ka0 s GLU 103 CO 0.69 -0.31 0.00 0.41 -0.49 0.00 0.00 175.26 175.56 2ka0 n GLY 104 N 0.47 0.46 0.29 -1.39 0.00 -1.26 -1.65 105.19 102.11 2ka0 n GLY 104 Ca -0.18 -0.95 -0.06 0.00 0.00 0.00 0.00 46.02 44.82 2ka0 n GLY 104 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2ka0 h LEU 105 N 0.00 0.86 0.00 0.99 5.85 -1.92 -2.45 115.31 118.64 2ka0 h LEU 105 Ca 0.00 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.48 2ka0 h LEU 105 Cb 0.02 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 40.81 2ka0 h LEU 105 CO 0.00 0.95 0.00 -0.62 -0.34 0.00 0.00 178.44 178.43 2ka0 n GLU 106 N -4.18 0.72 -0.05 1.25 1.02 -1.26 -3.24 120.64 114.91 2ka0 n GLU 106 Ca 0.02 0.01 0.08 0.00 -0.02 0.00 0.00 57.16 57.26 2ka0 n GLU 106 Cb 0.34 -1.50 0.10 0.00 -0.02 0.00 0.00 31.44 30.36 2ka0 n GLU 106 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2ka0 n ASP 107 N -1.06 2.57 0.06 1.62 9.92 -0.92 -4.67 116.55 124.06 2ka0 n ASP 107 Ca 0.18 -1.75 -0.22 0.00 -0.53 0.00 0.00 54.79 52.47 2ka0 n ASP 107 Cb 0.11 -0.07 -0.15 0.00 -0.64 0.00 0.00 41.12 40.38 2ka0 n ASP 107 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 2ka0 h LEU 108 N 3.19 0.54 -2.59 0.64 3.38 -1.62 -3.24 115.31 115.61 2ka0 h LEU 108 Ca 0.00 -0.91 -0.00 0.00 0.09 0.00 0.00 57.88 57.06 2ka0 h LEU 108 Cb 0.72 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 2ka0 h LEU 108 CO 0.00 1.67 -0.01 0.11 0.09 0.00 0.00 178.44 180.30 2ka0 h LYS 109 N -0.10 0.00 0.00 1.13 1.57 -1.83 -1.05 116.57 116.29 2ka0 h LYS 109 Ca -0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 2ka0 h LYS 109 Cb 1.93 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.24 2ka0 h LYS 109 CO 0.14 0.01 0.00 1.63 -0.57 0.00 0.00 179.45 180.66 2ka0 n LYS 110 N -3.57 0.02 -3.26 3.15 5.02 -1.22 -4.76 118.16 113.54 2ka0 n LYS 110 Ca -0.03 0.29 -0.27 0.00 -2.02 0.00 0.00 58.31 56.29 2ka0 n LYS 110 Cb 0.09 -1.54 -0.02 0.00 -0.02 0.00 0.00 35.03 33.54 2ka0 n LYS 110 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2ka0 s ILE 111 N -3.04 5.04 0.46 -0.18 -1.09 -0.40 -4.87 121.20 117.12 2ka0 s ILE 111 Ca 0.06 -0.13 0.08 0.00 -2.23 0.00 0.00 60.65 58.43 2ka0 s ILE 111 Cb 0.09 -3.80 0.02 0.00 -1.58 0.00 0.00 42.46 37.19 2ka0 s ILE 111 CO 0.26 -0.49 0.57 -0.54 -1.23 0.00 0.00 174.94 173.51 2ka0 s LYS 112 N -4.01 2.62 0.00 2.79 -0.14 -1.26 -5.01 119.74 114.73 2ka0 s LYS 112 Ca 0.43 -1.44 0.00 0.00 -1.36 0.00 0.00 55.97 53.60 2ka0 s LYS 112 Cb -0.10 -2.61 0.00 0.00 -1.68 0.00 0.00 37.83 33.44 2ka0 s LYS 112 CO 0.34 -0.40 0.39 -3.47 -0.76 0.00 0.00 175.35 171.45 2ka0 n ASP 113 N -1.87 1.06 0.00 2.83 2.03 -1.25 -3.96 116.55 115.39 2ka0 n ASP 113 Ca 0.08 -1.03 0.00 0.00 0.52 0.00 0.00 54.79 54.36 2ka0 n ASP 113 Cb 0.60 -0.26 0.00 0.00 -0.72 0.00 0.00 41.12 40.75 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 0.50 -1.84 1.97 0.27 0.00 -0.73 -4.30 105.19 101.07 2ka0 n GLY 114 Ca 0.00 0.80 -0.14 0.00 0.00 0.00 0.00 46.02 46.69 2ka0 n GLY 114 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ka0 n GLU 115 N 0.00 2.78 -3.22 1.61 -0.58 -1.25 -4.87 120.64 115.10 2ka0 n GLU 115 Ca 0.00 -3.81 -0.10 0.00 -0.42 0.00 0.00 57.16 52.83 2ka0 n GLU 115 Cb 0.00 -1.94 0.01 0.00 -0.57 0.00 0.00 31.44 28.94 2ka0 n GLU 115 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2ka0 n LYS 116 N -0.69 -0.99 -0.58 3.49 5.02 -1.26 -1.49 118.16 121.66 2ka0 n LYS 116 Ca 0.31 1.13 -0.30 0.00 -2.02 0.00 0.00 58.31 57.43 2ka0 n LYS 116 Cb 0.90 -1.72 0.28 0.00 -0.02 0.00 0.00 35.03 34.47 2ka0 n LYS 116 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2ka0 s VAL 117 N -1.21 1.29 -0.38 -0.18 -7.23 0.38 -3.99 120.40 109.08 2ka0 s VAL 117 Ca 0.10 0.00 0.04 0.00 -1.81 0.00 0.00 61.98 60.31 2ka0 s VAL 117 Cb -0.01 -2.20 0.16 0.00 0.56 0.00 0.00 36.38 34.89 2ka0 s VAL 117 CO 0.30 0.00 0.43 0.00 -0.31 0.00 0.00 175.10 175.52 2ka0 s ALA 118 N -2.50 -0.82 0.01 1.32 0.00 0.18 -3.61 121.76 116.34 2ka0 s ALA 118 Ca 0.70 -0.74 -0.30 0.00 0.00 0.00 0.00 51.96 51.61 2ka0 s ALA 118 Cb -0.12 -2.19 -0.06 0.00 0.00 0.00 0.00 23.12 20.76 2ka0 s ALA 118 CO 0.57 -2.15 1.41 0.08 0.00 0.00 0.00 175.76 175.67 2ka0 s VAL 119 N 1.52 3.67 0.24 0.00 1.01 0.14 -2.03 120.40 124.95 2ka0 s VAL 119 Ca 0.17 1.07 0.01 0.00 0.00 0.00 0.00 61.98 63.22 2ka0 s VAL 119 Cb -0.13 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 2ka0 s VAL 119 CO -0.04 0.00 0.13 -0.13 0.00 0.00 0.00 175.10 175.06 2ka0 s ARG 120 N 2.35 1.34 0.08 2.72 0.52 0.32 -0.79 118.95 125.49 2ka0 s ARG 120 Ca 0.64 -1.73 0.22 0.00 -0.52 0.00 0.00 55.73 54.34 2ka0 s ARG 120 Cb -0.32 0.04 0.89 0.00 0.52 0.00 0.00 34.95 36.08 2ka0 s ARG 120 CO 0.27 -0.37 1.68 1.19 0.02 0.00 0.00 175.30 178.09 2ka0 n PHE 121 N -0.39 0.28 -2.08 -0.53 3.72 -1.26 -0.48 117.46 116.72 2ka0 n PHE 121 Ca 0.01 0.10 0.00 0.00 -0.05 0.00 0.00 57.45 57.51 2ka0 n PHE 121 Cb 0.66 -0.66 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 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 -1.59 -2.10 -3.64 4.37 0.00 -1.26 -3.12 120.51 113.16 2ka0 n ALA 122 Ca 0.04 0.45 -0.36 0.00 0.00 0.00 0.00 53.44 53.57 2ka0 n ALA 122 Cb 0.26 -1.38 -0.07 0.00 0.00 0.00 0.00 19.45 18.27 2ka0 n ALA 122 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2ka0 s SER 123 N -0.51 5.88 0.00 0.00 0.01 -1.26 -4.84 113.70 112.98 2ka0 s SER 123 Ca 0.00 -3.55 0.27 0.00 1.31 0.00 0.00 55.95 53.98 2ka0 s SER 123 Cb 0.00 -1.91 0.78 0.00 0.21 0.00 0.00 66.02 65.10 2ka0 s SER 123 CO 0.00 -0.22 1.59 -1.54 0.41 0.00 0.00 173.24 173.48