#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 1.67 -0.25 2.12 0.52 -1.26 -2.15 118.95 119.61 2ka0 s ARG 2 Ca 0.00 1.19 -0.02 0.00 -0.52 0.00 0.00 55.73 56.38 2ka0 s ARG 2 Cb 0.00 -1.83 0.12 0.00 0.52 0.00 0.00 34.95 33.76 2ka0 s ARG 2 CO 0.00 -2.06 0.27 0.08 0.02 0.00 0.00 175.30 173.61 2ka0 s VAL 3 N -2.83 -0.39 0.27 3.52 1.01 -0.31 -4.29 120.40 117.38 2ka0 s VAL 3 Ca 0.63 -0.28 -0.27 0.00 0.00 0.00 0.00 61.98 62.06 2ka0 s VAL 3 Cb -0.19 -0.83 -0.09 0.00 0.00 0.00 0.00 36.38 35.26 2ka0 s VAL 3 CO 0.57 -0.32 0.91 -0.70 0.00 0.00 0.00 175.10 175.56 2ka0 s GLU 4 N 2.37 4.67 -0.38 2.72 2.12 -0.48 -0.04 118.70 129.67 2ka0 s GLU 4 Ca 0.09 1.35 0.04 0.00 0.36 0.00 0.00 54.97 56.81 2ka0 s GLU 4 Cb -0.15 -3.05 0.11 0.00 0.26 0.00 0.00 34.13 31.30 2ka0 s GLU 4 CO -0.22 0.42 0.10 -0.51 -0.54 0.00 0.00 175.26 174.50 2ka0 s LEU 5 N -1.60 4.67 0.28 2.70 1.43 0.13 -0.18 118.68 126.11 2ka0 s LEU 5 Ca 0.44 -2.36 -0.15 0.00 -1.03 0.00 0.00 54.13 51.03 2ka0 s LEU 5 Cb -0.22 -1.63 -0.08 0.00 0.03 0.00 0.00 46.19 44.28 2ka0 s LEU 5 CO 0.27 -0.35 0.70 -0.76 0.23 0.00 0.00 176.35 176.45 2ka0 s LEU 6 N 0.62 4.16 0.35 1.79 1.43 -1.14 -0.82 118.68 125.06 2ka0 s LEU 6 Ca 0.12 1.26 0.04 0.00 -1.03 0.00 0.00 54.13 54.52 2ka0 s LEU 6 Cb -0.21 -3.88 -0.03 0.00 0.03 0.00 0.00 46.19 42.10 2ka0 s LEU 6 CO -0.06 -0.12 0.15 -0.36 0.23 0.00 0.00 176.35 176.19 2ka0 s PHE 7 N -1.83 1.73 -1.49 0.29 0.40 0.08 -0.78 117.98 116.38 2ka0 s PHE 7 Ca 0.50 -1.32 0.28 0.00 -0.60 0.00 0.00 56.93 55.78 2ka0 s PHE 7 Cb -0.12 -1.01 1.43 0.00 0.51 0.00 0.00 43.02 43.82 2ka0 s PHE 7 CO 0.19 -0.41 1.96 0.39 0.70 0.00 0.00 175.22 178.05 2ka0 n GLU 8 N -0.74 0.44 0.00 0.44 -0.58 -0.53 -3.78 120.64 115.90 2ka0 n GLU 8 Ca -0.02 0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 2ka0 n GLU 8 Cb 0.65 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 30.02 2ka0 n GLU 8 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2ka0 n SER 9 N -1.26 0.54 0.00 1.62 7.64 -1.26 -5.12 113.62 115.78 2ka0 n SER 9 Ca 0.14 -1.18 0.00 0.00 1.01 0.00 0.00 58.87 58.83 2ka0 n SER 9 Cb 0.21 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.41 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 -0.09 -1.12 3.56 0.23 0.00 -1.25 -4.83 105.19 101.70 2ka0 n GLY 10 Ca 0.00 -0.85 -0.10 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.43 1.43 0.36 1.61 -2.85 -1.26 -0.74 119.74 117.85 2ka0 s LYS 11 Ca 0.00 -0.70 -0.16 0.00 -1.00 0.00 0.00 55.97 54.11 2ka0 s LYS 11 Cb 0.00 0.58 0.06 0.00 -2.06 0.00 0.00 37.83 36.41 2ka0 s LYS 11 CO 0.00 -0.63 0.85 0.00 0.10 0.00 0.00 175.35 175.67 2ka0 s VAL 13 N -2.10 0.06 -0.16 0.00 0.11 -1.19 0.23 120.40 117.34 2ka0 s VAL 13 Ca 0.17 -0.51 -0.01 0.00 -2.93 0.00 0.00 61.98 58.71 2ka0 s VAL 13 Cb -0.05 -0.67 0.04 0.00 -1.53 0.00 0.00 36.38 34.17 2ka0 s VAL 13 CO 0.11 -0.28 -0.04 0.27 -3.33 0.00 0.00 175.10 171.82 2ka0 s ILE 14 N -1.54 1.03 -0.50 7.04 -4.36 0.94 -1.96 121.20 121.85 2ka0 s ILE 14 Ca -0.12 -0.59 -0.22 0.00 -0.26 0.00 0.00 60.65 59.45 2ka0 s ILE 14 Cb -0.04 -1.23 0.04 0.00 1.25 0.00 0.00 42.46 42.47 2ka0 s ILE 14 CO 0.03 0.11 0.78 -0.62 0.24 0.00 0.00 174.94 175.48 2ka0 s ASP 15 N 1.66 6.33 -0.08 4.36 -1.08 -0.23 -1.16 116.67 126.48 2ka0 s ASP 15 Ca 0.01 -0.41 0.00 0.00 -0.52 0.00 0.00 52.55 51.63 2ka0 s ASP 15 Cb -0.15 -2.37 -0.03 0.00 -1.46 0.00 0.00 42.92 38.91 2ka0 s ASP 15 CO -0.08 -1.00 -0.07 -0.76 0.52 0.00 0.00 175.17 173.78 2ka0 s LEU 16 N 3.31 3.14 0.27 -1.34 1.43 -0.91 -2.63 118.68 121.95 2ka0 s LEU 16 Ca 0.26 -0.05 -0.13 0.00 -1.03 0.00 0.00 54.13 53.18 2ka0 s LEU 16 Cb -0.14 -1.69 -0.08 0.00 0.03 0.00 0.00 46.19 44.31 2ka0 s LEU 16 CO 0.19 0.34 0.65 0.21 0.23 0.00 0.00 176.35 177.96 2ka0 s ASN 17 N -0.65 6.73 0.00 2.29 2.47 -1.20 -0.43 114.94 124.15 2ka0 s ASN 17 Ca 0.10 1.14 0.30 0.00 0.42 0.00 0.00 52.86 54.81 2ka0 s ASN 17 Cb -0.11 -2.31 1.49 0.00 -1.45 0.00 0.00 41.25 38.87 2ka0 s ASN 17 CO 0.02 -0.13 2.00 -0.62 -3.72 0.00 0.00 177.10 174.65 2ka0 n GLU 18 N -0.17 1.21 -0.18 0.43 1.02 -1.26 -3.94 120.64 117.75 2ka0 n GLU 18 Ca 0.02 -0.39 0.11 0.00 -0.02 0.00 0.00 57.16 56.87 2ka0 n GLU 18 Cb 0.53 -1.49 0.26 0.00 -0.02 0.00 0.00 31.44 30.72 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 -0.55 2.26 -4.63 3.49 1.02 -1.26 -4.60 120.64 116.37 2ka0 n GLU 19 Ca 0.21 -1.92 -0.33 0.00 -0.02 0.00 0.00 57.16 55.10 2ka0 n GLU 19 Cb 0.23 -1.47 -0.13 0.00 -0.02 0.00 0.00 31.44 30.05 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 -1.54 2.90 0.12 -0.32 2.02 -1.25 -5.04 117.35 114.24 2ka0 s TYR 20 Ca 0.37 -0.32 -0.23 0.00 -0.37 0.00 0.00 57.07 56.52 2ka0 s TYR 20 Cb 0.21 -1.83 -0.05 0.00 -0.40 0.00 0.00 41.96 39.89 2ka0 s TYR 20 CO 0.29 0.02 1.68 1.49 -1.57 0.00 0.00 175.55 177.45 2ka0 h GLU 21 N 6.23 -0.18 -1.01 -0.62 4.57 -1.88 -0.65 114.58 121.03 2ka0 h GLU 21 Ca -0.35 0.01 0.25 0.00 -1.18 0.00 0.00 59.36 58.09 2ka0 h GLU 21 Cb 1.19 0.04 -0.09 0.00 -0.16 0.00 0.00 28.75 29.73 2ka0 h GLU 21 CO 0.57 -0.12 0.66 -0.24 -1.18 0.00 0.00 179.01 178.70 2ka0 h VAL 22 N -0.18 0.56 0.13 0.32 3.04 -1.97 0.81 116.25 118.96 2ka0 h VAL 22 Ca 0.07 -0.14 -0.30 0.00 -1.01 0.00 0.00 66.70 65.33 2ka0 h VAL 22 Cb 0.29 0.12 0.03 0.00 -2.01 0.00 0.00 31.29 29.72 2ka0 h VAL 22 CO -0.19 0.07 -1.26 0.58 -1.01 0.00 0.00 177.57 175.77 2ka0 h VAL 23 N 0.40 1.30 -0.74 1.51 2.07 -1.43 0.46 116.25 119.83 2ka0 h VAL 23 Ca 0.57 -2.53 0.00 0.00 0.82 0.00 0.00 66.70 65.56 2ka0 h VAL 23 Cb 1.42 2.73 -0.04 0.00 -1.52 0.00 0.00 31.29 33.89 2ka0 h VAL 23 CO -0.26 0.77 0.47 0.11 0.02 0.00 0.00 177.57 178.67 2ka0 h LYS 24 N 0.25 0.99 0.15 1.57 1.57 -0.86 -2.96 116.57 117.28 2ka0 h LYS 24 Ca -0.19 -0.07 -0.30 0.00 -1.87 0.00 0.00 60.65 58.23 2ka0 h LYS 24 Cb 1.93 -0.22 0.01 0.00 0.08 0.00 0.00 32.23 34.03 2ka0 h LYS 24 CO 0.24 0.67 -1.36 -0.07 -0.57 0.00 0.00 179.45 178.36 2ka0 h LEU 25 N 1.01 0.51 -2.15 2.94 3.38 -0.75 -3.02 115.31 117.23 2ka0 h LEU 25 Ca 0.27 -0.58 0.02 0.00 0.09 0.00 0.00 57.88 57.69 2ka0 h LEU 25 Cb -0.08 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.50 2ka0 h LEU 25 CO -0.05 1.46 0.06 -0.07 0.09 0.00 0.00 178.44 179.93 2ka0 h LEU 26 N 0.09 0.00 -2.24 1.67 3.38 -0.87 -1.67 115.31 115.67 2ka0 h LEU 26 Ca -0.19 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.81 2ka0 h LEU 26 Cb 2.03 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.77 2ka0 h LEU 26 CO 0.21 0.00 0.10 0.50 0.09 0.00 0.00 178.44 179.34 2ka0 h LYS 27 N 0.00 0.00 0.00 1.13 3.64 -1.38 -0.01 116.57 119.95 2ka0 h LYS 27 Ca 0.04 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.36 2ka0 h LYS 27 Cb 0.16 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 2ka0 h LYS 27 CO -0.00 0.00 -0.25 0.93 -2.27 0.00 0.00 179.45 177.86 2ka0 h GLU 28 N 0.00 0.00 0.00 1.90 4.39 -1.46 -3.34 114.58 116.07 2ka0 h GLU 28 Ca 0.05 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.73 2ka0 h GLU 28 Cb 0.24 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.86 2ka0 h GLU 28 CO -0.00 0.25 -0.32 1.63 -1.16 0.00 0.00 179.01 179.40 2ka0 n LYS 29 N -3.68 1.12 -4.31 2.33 4.76 -0.03 -5.03 118.16 113.32 2ka0 n LYS 29 Ca -0.01 -2.59 -0.27 0.00 -2.87 0.00 0.00 58.31 52.57 2ka0 n LYS 29 Cb 0.37 -1.28 -0.10 0.00 -1.84 0.00 0.00 35.03 32.17 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 -2.39 2.99 0.95 -0.18 1.01 -1.16 -3.81 121.20 118.61 2ka0 s ILE 30 Ca 0.30 -1.68 -0.11 0.00 0.00 0.00 0.00 60.65 59.17 2ka0 s ILE 30 Cb 0.29 -2.45 0.12 0.00 0.01 0.00 0.00 42.46 40.42 2ka0 s ILE 30 CO -0.03 -0.06 0.86 -0.81 0.00 0.00 0.00 174.94 174.90 2ka0 n PRO 31 N 0.24 -0.57 -4.09 2.79 -0.04 -1.26 -5.05 135.00 127.02 2ka0 n PRO 31 Ca -0.12 -0.11 -0.11 0.00 -0.04 0.00 0.00 63.50 63.12 2ka0 n PRO 31 Cb 0.55 -2.17 -0.07 0.00 -0.04 0.00 0.00 33.50 31.77 2ka0 n PRO 31 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2ka0 s PHE 32 N -2.53 0.77 0.29 0.54 -0.71 -0.58 -5.00 117.98 110.75 2ka0 s PHE 32 Ca 0.63 -1.05 0.09 0.00 -1.04 0.00 0.00 56.93 55.56 2ka0 s PHE 32 Cb -0.22 -0.13 -0.06 0.00 -1.21 0.00 0.00 43.02 41.40 2ka0 s PHE 32 CO 0.62 -0.88 -0.13 -1.21 -1.34 0.00 0.00 175.22 172.27 2ka0 s GLU 33 N -3.93 1.64 0.30 1.99 2.02 -1.26 0.13 118.70 119.60 2ka0 s GLU 33 Ca 0.30 -1.80 -0.18 0.00 0.02 0.00 0.00 54.97 53.31 2ka0 s GLU 33 Cb 0.02 -1.52 0.07 0.00 0.10 0.00 0.00 34.13 32.80 2ka0 s GLU 33 CO 0.12 0.19 0.90 0.45 0.02 0.00 0.00 175.26 176.94 2ka0 n SER 34 N -0.63 -2.06 -4.77 -0.19 2.88 -1.01 -4.96 113.62 102.88 2ka0 n SER 34 Ca -0.06 -2.29 -0.38 0.00 -1.33 0.00 0.00 58.87 54.81 2ka0 n SER 34 Cb 0.62 3.39 -0.06 0.00 -0.75 0.00 0.00 64.21 67.41 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 -2.08 4.22 -1.21 2.46 1.01 -1.26 -1.73 120.40 121.80 2ka0 s VAL 35 Ca 0.19 1.85 -0.11 0.00 0.00 0.00 0.00 61.98 63.91 2ka0 s VAL 35 Cb -0.04 -4.12 0.19 0.00 0.00 0.00 0.00 36.38 32.41 2ka0 s VAL 35 CO 0.09 0.33 1.53 0.52 0.00 0.00 0.00 175.10 177.57 2ka0 n VAL 36 N 1.04 4.41 -1.61 2.92 0.31 -1.26 -4.07 118.33 120.07 2ka0 n VAL 36 Ca -0.01 -4.81 -0.32 0.00 -0.01 0.00 0.00 64.34 59.19 2ka0 n VAL 36 Cb 0.49 -2.42 0.06 0.00 -0.91 0.00 0.00 33.84 31.06 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 1.70 4.94 -0.01 4.52 0.01 -0.25 -2.54 114.94 123.31 2ka0 s ASN 37 Ca 0.40 1.95 0.01 0.00 -0.71 0.00 0.00 52.86 54.50 2ka0 s ASN 37 Cb 0.01 -2.54 0.00 0.00 0.41 0.00 0.00 41.25 39.13 2ka0 s ASN 37 CO 0.00 -1.74 -0.04 0.42 -1.51 0.00 0.00 177.10 174.23 2ka0 s THR 38 N -2.51 0.35 -0.41 1.60 -4.23 -1.26 -1.31 115.64 107.88 2ka0 s THR 38 Ca 0.65 -0.15 0.06 0.00 -1.18 0.00 0.00 61.69 61.07 2ka0 s THR 38 Cb -0.19 -0.33 0.21 0.00 1.34 0.00 0.00 72.50 73.53 2ka0 s THR 38 CO 0.46 0.12 0.47 1.87 -0.54 0.00 0.00 174.62 176.99 2ka0 n TRP 39 N 3.21 -1.07 -2.29 3.99 -0.00 -1.22 -4.98 117.44 115.08 2ka0 n TRP 39 Ca -0.16 -3.17 -0.04 0.00 -0.00 0.00 0.00 57.50 54.13 2ka0 n TRP 39 Cb 0.57 0.19 0.01 0.00 -0.00 0.00 0.00 31.31 32.08 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 2.23 -1.47 3.53 5.87 0.00 -1.26 -4.18 105.19 109.91 2ka0 n GLY 40 Ca 0.24 0.63 -0.23 0.00 0.00 0.00 0.00 46.02 46.67 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 -0.26 -1.39 -3.51 1.61 4.71 -1.26 -3.88 120.64 116.66 2ka0 n GLU 41 Ca 0.06 0.75 -0.12 0.00 -0.01 0.00 0.00 57.16 57.84 2ka0 n GLU 41 Cb 0.23 -4.36 -0.04 0.00 -1.01 0.00 0.00 31.44 26.26 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 -5.07 0.94 0.02 3.49 -6.30 -1.26 -4.53 118.70 105.99 2ka0 s GLU 42 Ca 0.31 -0.08 0.04 0.00 -2.50 0.00 0.00 54.97 52.74 2ka0 s GLU 42 Cb -0.10 0.44 -0.02 0.00 0.00 0.00 0.00 34.13 34.45 2ka0 s GLU 42 CO 0.83 -0.36 -0.12 0.42 0.02 0.00 0.00 175.26 176.06 2ka0 s ILE 43 N -2.25 0.92 0.24 -3.70 1.01 -1.23 -3.39 121.20 112.80 2ka0 s ILE 43 Ca -0.02 -0.79 -0.09 0.00 0.00 0.00 0.00 60.65 59.75 2ka0 s ILE 43 Cb -0.01 -0.83 -0.01 0.00 0.01 0.00 0.00 42.46 41.63 2ka0 s ILE 43 CO -0.02 0.04 0.40 -0.72 0.00 0.00 0.00 174.94 174.63 2ka0 s TYR 44 N -0.68 0.60 -0.08 3.97 1.13 -0.42 -1.09 117.35 120.78 2ka0 s TYR 44 Ca 0.01 -0.92 -0.13 0.00 -1.41 0.00 0.00 57.07 54.62 2ka0 s TYR 44 Cb -0.07 -0.01 0.03 0.00 -1.10 0.00 0.00 41.96 40.82 2ka0 s TYR 44 CO 0.01 -0.92 0.32 -0.59 -2.51 0.00 0.00 175.55 171.86 2ka0 s PHE 45 N -3.98 -0.29 -1.10 -3.49 -0.71 -1.26 -1.09 117.98 106.05 2ka0 s PHE 45 Ca 0.27 0.64 -0.22 0.00 -1.04 0.00 0.00 56.93 56.58 2ka0 s PHE 45 Cb 0.01 0.11 -0.00 0.00 -1.21 0.00 0.00 43.02 41.93 2ka0 s PHE 45 CO 0.11 -0.27 1.77 -1.54 -1.34 0.00 0.00 175.22 173.95 2ka0 s SER 46 N -0.45 5.87 0.69 1.98 1.04 -1.26 -2.06 113.70 119.52 2ka0 s SER 46 Ca -0.06 -1.57 -0.16 0.00 0.48 0.00 0.00 55.95 54.64 2ka0 s SER 46 Cb -0.04 -2.58 0.02 0.00 0.10 0.00 0.00 66.02 63.53 2ka0 s SER 46 CO 0.02 -2.13 1.24 0.42 0.98 0.00 0.00 173.24 173.76 2ka0 s THR 47 N 7.61 2.22 -2.06 2.02 -4.23 -1.21 -4.91 115.64 115.07 2ka0 s THR 47 Ca 0.60 0.12 0.31 0.00 -1.18 0.00 0.00 61.69 61.54 2ka0 s THR 47 Cb -0.01 -2.85 0.85 0.00 1.34 0.00 0.00 72.50 71.83 2ka0 s THR 47 CO 0.03 -0.05 2.15 -0.81 -0.54 0.00 0.00 174.62 175.40 2ka0 n PRO 48 N -2.35 1.08 -4.20 3.99 -0.04 -1.26 -4.78 135.00 127.44 2ka0 n PRO 48 Ca 0.14 -0.12 -0.35 0.00 -0.04 0.00 0.00 63.50 63.14 2ka0 n PRO 48 Cb 0.49 -1.49 -0.10 0.00 -0.04 0.00 0.00 33.50 32.37 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 -2.00 4.51 -0.23 0.52 1.01 -1.26 -5.02 120.40 117.93 2ka0 s VAL 49 Ca 0.46 -0.15 0.15 0.00 0.00 0.00 0.00 61.98 62.44 2ka0 s VAL 49 Cb 0.21 -2.97 0.37 0.00 0.00 0.00 0.00 36.38 34.00 2ka0 s VAL 49 CO 0.36 0.53 1.27 0.59 0.00 0.00 0.00 175.10 177.85 2ka0 n ASN 50 N 2.93 3.08 -4.77 3.32 4.13 -1.26 -4.80 115.26 117.88 2ka0 n ASN 50 Ca -0.18 -2.84 -0.35 0.00 1.68 0.00 0.00 54.58 52.89 2ka0 n ASN 50 Cb 0.53 -0.42 0.01 0.00 -1.54 0.00 0.00 39.78 38.35 2ka0 n ASN 50 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2ka0 s VAL 51 N -2.49 3.12 -0.27 2.41 0.11 -1.26 -4.99 120.40 117.03 2ka0 s VAL 51 Ca 0.33 0.69 0.19 0.00 -2.93 0.00 0.00 61.98 60.26 2ka0 s VAL 51 Cb 0.27 -3.27 0.50 0.00 -1.53 0.00 0.00 36.38 32.34 2ka0 s VAL 51 CO 0.07 -0.16 1.11 0.00 -3.33 0.00 0.00 175.10 172.79 2ka0 n GLN 52 N -1.39 2.09 -4.01 1.54 6.02 -1.26 -4.73 117.38 115.63 2ka0 n GLN 52 Ca 0.12 -3.64 -0.31 0.00 -0.01 0.00 0.00 57.00 53.16 2ka0 n GLN 52 Cb 0.51 -1.73 -0.15 0.00 1.02 0.00 0.00 30.24 29.89 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 -3.72 1.78 -0.12 -1.09 2.20 -1.26 -5.11 119.74 112.42 2ka0 s LYS 53 Ca 0.32 -1.47 -0.17 0.00 -0.36 0.00 0.00 55.97 54.30 2ka0 s LYS 53 Cb 0.35 -2.90 -0.04 0.00 -1.51 0.00 0.00 37.83 33.72 2ka0 s LYS 53 CO -0.02 -0.73 0.42 0.00 -0.36 0.00 0.00 175.35 174.66 2ka0 s MET 54 N 1.11 4.28 -0.19 4.03 0.23 -1.26 -4.57 119.30 122.93 2ka0 s MET 54 Ca -0.00 0.34 -0.12 0.00 -1.03 0.00 0.00 55.69 54.88 2ka0 s MET 54 Cb -0.19 -3.42 -0.21 0.00 -1.53 0.00 0.00 34.83 29.48 2ka0 s MET 54 CO -0.07 0.22 0.16 -1.91 -2.03 0.00 0.00 175.02 171.39 2ka0 n GLU 55 N 3.50 0.66 -2.89 3.16 0.00 -1.26 -4.74 120.64 119.07 2ka0 n GLU 55 Ca -0.09 0.37 -0.31 0.00 0.00 0.00 0.00 57.16 57.13 2ka0 n GLU 55 Cb 0.52 -1.68 -0.03 0.00 0.00 0.00 0.00 31.44 30.25 2ka0 n GLU 55 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 2ka0 n ASN 56 N -3.90 5.24 -4.77 4.31 5.15 -1.26 -5.07 115.26 114.96 2ka0 n ASN 56 Ca -0.36 -3.67 -0.38 0.00 -0.60 0.00 0.00 54.58 49.57 2ka0 n ASN 56 Cb 0.89 -0.74 -0.03 0.00 -0.53 0.00 0.00 39.78 39.38 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 -3.64 4.09 0.14 1.20 0.04 -1.26 -1.28 135.00 134.29 2ka0 s PRO 57 Ca 0.46 1.73 -0.05 0.00 0.04 0.00 0.00 61.00 63.18 2ka0 s PRO 57 Cb 0.25 -2.64 -0.02 0.00 0.04 0.00 0.00 34.50 32.13 2ka0 s PRO 57 CO -0.13 -0.26 0.16 1.03 0.04 0.00 0.00 177.00 177.85 2ka0 s ARG 58 N -2.35 1.02 -0.05 4.56 1.81 -0.69 -4.89 118.95 118.36 2ka0 s ARG 58 Ca 0.57 -1.30 0.10 0.00 -1.72 0.00 0.00 55.73 53.38 2ka0 s ARG 58 Cb -0.28 0.31 0.27 0.00 -0.45 0.00 0.00 34.95 34.80 2ka0 s ARG 58 CO 0.35 -0.33 1.21 0.39 -0.68 0.00 0.00 175.30 176.24 2ka0 n GLU 59 N -0.14 2.76 -3.56 3.54 1.02 -1.26 -2.81 120.64 120.19 2ka0 n GLU 59 Ca -0.07 -2.12 -0.12 0.00 -0.02 0.00 0.00 57.16 54.83 2ka0 n GLU 59 Cb 0.63 -1.34 -0.05 0.00 -0.02 0.00 0.00 31.44 30.66 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 -1.55 0.00 0.19 2.62 0.11 -1.26 -4.05 120.40 116.45 2ka0 s VAL 60 Ca 0.22 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.31 2ka0 s VAL 60 Cb 0.15 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.98 2ka0 s VAL 60 CO 0.09 0.00 0.16 1.33 -3.33 0.00 0.00 175.10 173.35 2ka0 n VAL 61 N 0.68 0.00 -2.73 2.04 0.24 -0.50 -4.97 118.33 113.09 2ka0 n VAL 61 Ca -0.12 -1.37 -0.22 0.00 -2.04 0.00 0.00 64.34 60.60 2ka0 n VAL 61 Cb 0.58 0.69 0.07 0.00 -1.47 0.00 0.00 33.84 33.71 2ka0 n VAL 61 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2ka0 s GLU 62 N -2.76 2.11 -0.04 7.34 2.02 -1.26 -4.40 118.70 121.71 2ka0 s GLU 62 Ca 0.22 -1.16 0.00 0.00 0.02 0.00 0.00 54.97 54.06 2ka0 s GLU 62 Cb 0.01 -2.47 0.04 0.00 0.10 0.00 0.00 34.13 31.81 2ka0 s GLU 62 CO 0.16 -1.06 1.39 -0.89 0.02 0.00 0.00 175.26 174.89 2ka0 n ILE 63 N -2.52 1.50 -2.18 -1.63 5.41 -1.26 -3.19 119.36 115.50 2ka0 n ILE 63 Ca 0.13 -0.33 -0.03 0.00 1.00 0.00 0.00 62.75 63.52 2ka0 n ILE 63 Cb 0.60 -1.14 0.01 0.00 -0.71 0.00 0.00 39.64 38.41 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 0.71 0.45 1.98 7.39 0.00 -1.05 -4.47 105.19 110.21 2ka0 n GLY 64 Ca 0.04 -0.05 -0.17 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.44 2.52 -4.16 1.61 8.00 -1.19 -1.67 116.55 121.22 2ka0 n ASP 65 Ca -0.14 -2.22 -0.10 0.00 0.71 0.00 0.00 54.79 53.04 2ka0 n ASP 65 Cb 0.62 0.25 -0.10 0.00 -0.02 0.00 0.00 41.12 41.87 2ka0 n ASP 65 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2ka0 s VAL 66 N -2.07 0.21 -0.29 2.53 1.01 -1.21 -3.19 120.40 117.40 2ka0 s VAL 66 Ca 0.02 -1.91 -0.16 0.00 0.00 0.00 0.00 61.98 59.93 2ka0 s VAL 66 Cb 0.00 -2.01 0.12 0.00 0.00 0.00 0.00 36.38 34.49 2ka0 s VAL 66 CO 0.01 -0.51 0.85 -0.83 0.00 0.00 0.00 175.10 174.62 2ka0 s GLY 67 N -3.06 -0.29 0.40 4.51 0.00 -1.21 -3.99 107.32 103.68 2ka0 s GLY 67 Ca 0.23 2.83 -0.25 0.00 0.00 0.00 0.00 44.72 47.52 2ka0 s GLY 67 CO 0.01 2.57 1.14 -2.52 0.00 0.00 0.00 173.10 174.30 2ka0 s TYR 68 N 1.57 3.11 -0.68 1.90 1.13 -1.24 -2.03 117.35 121.10 2ka0 s TYR 68 Ca -0.09 1.58 -0.00 0.00 -1.41 0.00 0.00 57.07 57.14 2ka0 s TYR 68 Cb -0.05 -3.34 0.17 0.00 -1.10 0.00 0.00 41.96 37.65 2ka0 s TYR 68 CO -0.17 -1.17 0.49 -0.46 -2.51 0.00 0.00 175.55 171.73 2ka0 s TRP 69 N -1.46 3.49 0.35 -3.49 -0.00 -0.11 -4.27 118.94 113.44 2ka0 s TRP 69 Ca 0.57 -2.95 0.33 0.00 -0.00 0.00 0.00 56.10 54.05 2ka0 s TRP 69 Cb -0.29 -3.08 1.60 0.00 -0.00 0.00 0.00 33.47 31.70 2ka0 s TRP 69 CO 0.36 -0.76 2.09 -1.00 -0.00 0.00 0.00 176.95 177.64 2ka0 h PRO 70 N 6.49 0.00 0.00 5.86 0.13 -1.85 -1.74 132.00 140.89 2ka0 h PRO 70 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 2ka0 h PRO 70 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 2ka0 h PRO 70 CO 0.74 0.07 -0.05 -1.00 -0.23 0.00 0.00 178.00 177.53 2ka0 h PRO 71 N 0.00 0.00 -0.00 1.56 0.13 -1.95 -3.29 132.00 128.45 2ka0 h PRO 71 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2ka0 h PRO 71 Cb 0.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.48 2ka0 h PRO 71 CO 0.01 0.00 -0.18 0.41 -0.23 0.00 0.00 178.00 178.01 2ka0 n GLY 72 N 1.14 0.58 2.83 1.56 0.00 -1.25 -5.07 105.19 104.98 2ka0 n GLY 72 Ca 0.04 -0.11 -0.06 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.05 -2.78 -3.93 1.61 4.01 -1.00 -4.99 118.16 110.03 2ka0 n LYS 73 Ca 0.01 2.35 -0.10 0.00 -0.51 0.00 0.00 58.31 60.06 2ka0 n LYS 73 Cb 0.06 -5.34 -0.01 0.00 -0.51 0.00 0.00 35.03 29.23 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 -2.14 -0.31 0.69 7.82 0.00 -0.69 -3.34 121.76 123.80 2ka0 s ALA 74 Ca 0.15 -0.92 -0.02 0.00 0.00 0.00 0.00 51.96 51.17 2ka0 s ALA 74 Cb -0.04 0.90 0.04 0.00 0.00 0.00 0.00 23.12 24.03 2ka0 s ALA 74 CO 0.76 -0.92 0.28 -0.11 0.00 0.00 0.00 175.76 175.78 2ka0 n LEU 75 N -0.50 0.00 -3.56 0.00 -0.00 -0.88 -0.94 117.00 111.12 2ka0 n LEU 75 Ca -0.04 -0.46 -0.17 0.00 -0.00 0.00 0.00 56.01 55.34 2ka0 n LEU 75 Cb 0.61 -0.20 -0.06 0.00 -0.00 0.00 0.00 43.42 43.76 2ka0 n LEU 75 CO 0.25 -0.67 0.37 0.00 -0.00 0.00 0.00 177.39 177.34 2ka0 s LEU 77 N -1.18 1.73 -0.28 0.00 1.02 -0.25 -3.36 118.68 116.36 2ka0 s LEU 77 Ca -0.11 -0.37 -0.02 0.00 0.02 0.00 0.00 54.13 53.64 2ka0 s LEU 77 Cb -0.01 -0.99 0.03 0.00 0.02 0.00 0.00 46.19 45.25 2ka0 s LEU 77 CO 0.09 0.05 -0.02 -0.36 0.02 0.00 0.00 176.35 176.13 2ka0 s PHE 78 N 0.69 3.16 0.00 0.29 0.40 -1.19 -3.52 117.98 117.81 2ka0 s PHE 78 Ca -0.13 -1.61 0.00 0.00 -0.60 0.00 0.00 56.93 54.58 2ka0 s PHE 78 Cb -0.16 -2.11 0.00 0.00 0.51 0.00 0.00 43.02 41.26 2ka0 s PHE 78 CO 0.03 -0.74 0.42 1.97 0.70 0.00 0.00 175.22 177.60 2ka0 n PHE 79 N 4.68 0.00 -3.19 0.36 1.16 -1.26 -2.52 117.46 116.68 2ka0 n PHE 79 Ca -0.15 -0.08 0.00 0.00 -1.87 0.00 0.00 57.45 55.35 2ka0 n PHE 79 Cb 0.46 -0.01 0.00 0.00 -1.61 0.00 0.00 39.48 38.32 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 -0.08 -1.15 3.43 4.97 0.00 -1.26 -4.99 105.19 106.11 2ka0 n GLY 80 Ca 0.00 -0.85 -0.44 0.00 0.00 0.00 0.00 46.02 44.73 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 -0.38 3.11 0.83 1.61 2.36 -1.26 -4.99 119.74 121.03 2ka0 s LYS 81 Ca 0.00 -0.96 -0.12 0.00 -2.55 0.00 0.00 55.97 52.34 2ka0 s LYS 81 Cb 0.00 -4.18 0.09 0.00 -1.05 0.00 0.00 37.83 32.69 2ka0 s LYS 81 CO 0.00 -1.51 1.11 0.95 1.55 0.00 0.00 175.35 177.45 2ka0 s THR 82 N 3.14 2.74 0.24 3.43 -4.23 -1.26 -4.74 115.64 114.95 2ka0 s THR 82 Ca 0.17 0.24 0.36 0.00 -1.18 0.00 0.00 61.69 61.28 2ka0 s THR 82 Cb -0.20 -2.98 0.40 0.00 1.34 0.00 0.00 72.50 71.07 2ka0 s THR 82 CO 0.10 -0.31 2.08 1.55 -0.54 0.00 0.00 174.62 177.50 2ka0 h PRO 83 N -1.23 0.00 -2.02 3.99 0.13 -1.85 -3.37 132.00 127.65 2ka0 h PRO 83 Ca -0.48 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 63.95 2ka0 h PRO 83 Cb 1.29 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.17 2ka0 h PRO 83 CO 0.60 0.00 0.92 -0.12 -0.23 0.00 0.00 178.00 179.17 2ka0 n MET 84 N -3.07 2.83 -3.84 0.86 1.56 -1.26 -4.88 117.12 109.32 2ka0 n MET 84 Ca -0.00 -3.27 -0.09 0.00 -0.27 0.00 0.00 57.70 54.06 2ka0 n MET 84 Cb 0.24 -2.25 0.01 0.00 2.15 0.00 0.00 33.22 33.37 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 -0.69 0.05 0.16 6.12 1.04 -1.26 -4.38 113.70 114.75 2ka0 s SER 85 Ca 0.53 -1.12 0.00 0.00 0.48 0.00 0.00 55.95 55.84 2ka0 s SER 85 Cb 0.41 0.82 0.00 0.00 0.10 0.00 0.00 66.02 67.35 2ka0 s SER 85 CO -0.35 -1.62 0.00 0.47 0.98 0.00 0.00 173.24 172.72 2ka0 n ASP 86 N -1.31 0.28 -0.04 7.02 8.00 -1.26 -5.00 116.55 124.24 2ka0 n ASP 86 Ca -0.07 0.27 -0.14 0.00 0.71 0.00 0.00 54.79 55.55 2ka0 n ASP 86 Cb 0.60 0.08 -0.11 0.00 -0.02 0.00 0.00 41.12 41.66 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 0.09 -4.75 -2.24 3.32 -2.01 -3.47 116.42 107.35 2ka0 h ASP 87 Ca 0.00 -0.75 -0.21 0.00 0.02 0.00 0.00 57.03 56.09 2ka0 h ASP 87 Cb 0.00 -0.03 -0.16 0.00 0.22 0.00 0.00 39.33 39.37 2ka0 h ASP 87 CO 0.00 0.82 -0.70 -1.59 -1.72 0.00 0.00 179.24 176.06 2ka0 s LYS 88 N -3.23 0.75 -1.21 3.56 -2.85 -1.26 -5.07 119.74 110.43 2ka0 s LYS 88 Ca -0.17 -1.24 -0.20 0.00 -1.00 0.00 0.00 55.97 53.37 2ka0 s LYS 88 Cb 0.00 -0.13 0.06 0.00 -2.06 0.00 0.00 37.83 35.70 2ka0 s LYS 88 CO 0.71 -0.03 1.66 0.42 0.10 0.00 0.00 175.35 178.21 2ka0 s ILE 89 N -3.39 4.04 0.31 3.79 1.01 -1.26 -4.74 121.20 120.96 2ka0 s ILE 89 Ca 0.08 -1.53 -0.27 0.00 0.00 0.00 0.00 60.65 58.93 2ka0 s ILE 89 Cb 0.04 -5.13 -0.10 0.00 0.01 0.00 0.00 42.46 37.28 2ka0 s ILE 89 CO -0.05 -1.96 0.95 -1.10 0.00 0.00 0.00 174.94 172.78 2ka0 s GLN 90 N 4.55 4.61 0.87 2.79 -0.21 -1.26 -1.40 119.66 129.59 2ka0 s GLN 90 Ca 0.52 1.38 -0.12 0.00 0.02 0.00 0.00 55.36 57.16 2ka0 s GLN 90 Cb 0.03 -2.87 0.15 0.00 1.00 0.00 0.00 33.01 31.31 2ka0 s GLN 90 CO 0.03 0.29 1.21 -1.25 -2.12 0.00 0.00 175.29 173.45 2ka0 s PRO 91 N -1.92 1.27 0.58 2.91 0.04 -1.26 -4.68 135.00 131.95 2ka0 s PRO 91 Ca 0.49 -0.34 0.36 0.00 0.04 0.00 0.00 61.00 61.55 2ka0 s PRO 91 Cb -0.20 -1.97 1.67 0.00 0.04 0.00 0.00 34.50 34.04 2ka0 s PRO 91 CO 0.26 -1.96 2.10 0.00 0.04 0.00 0.00 177.00 177.43 2ka0 h ALA 92 N -1.25 1.02 -2.94 8.56 0.00 -1.96 -3.46 119.26 119.23 2ka0 h ALA 92 Ca -0.44 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.47 2ka0 h ALA 92 Cb 1.27 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.00 2ka0 h ALA 92 CO 0.48 0.02 0.10 -1.12 0.00 0.00 0.00 179.25 178.73 2ka0 s SER 93 N -5.59 -0.18 -0.59 0.00 0.01 -1.26 -5.09 113.70 100.99 2ka0 s SER 93 Ca -0.01 -0.75 -0.26 0.00 1.31 0.00 0.00 55.95 56.24 2ka0 s SER 93 Cb 0.10 0.68 -0.04 0.00 0.21 0.00 0.00 66.02 66.97 2ka0 s SER 93 CO 0.51 -1.28 2.07 0.00 0.41 0.00 0.00 173.24 174.94 2ka0 s ALA 94 N -3.90 1.91 0.11 1.44 0.00 -1.26 -4.84 121.76 115.22 2ka0 s ALA 94 Ca 0.15 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 51.63 2ka0 s ALA 94 Cb -0.04 -4.34 0.00 0.00 0.00 0.00 0.00 23.12 18.74 2ka0 s ALA 94 CO 0.08 -4.21 0.00 1.33 0.00 0.00 0.00 175.76 172.96 2ka0 n VAL 95 N 7.56 0.00 -3.76 0.00 0.24 -1.12 -4.90 118.33 116.35 2ka0 n VAL 95 Ca 0.28 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 62.41 2ka0 n VAL 95 Cb 0.52 -1.11 -0.17 0.00 -1.47 0.00 0.00 33.84 31.62 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 -1.00 0.38 0.00 -1.34 4.22 -1.26 -1.71 114.94 114.23 2ka0 s ASN 96 Ca 0.00 0.04 0.00 0.00 -2.14 0.00 0.00 52.86 50.76 2ka0 s ASN 96 Cb 0.00 -0.10 0.00 0.00 1.28 0.00 0.00 41.25 42.43 2ka0 s ASN 96 CO 0.00 -0.16 1.26 0.52 -2.04 0.00 0.00 177.10 176.69 2ka0 n VAL 97 N 4.47 1.26 0.21 3.54 0.31 -0.40 -3.73 118.33 124.00 2ka0 n VAL 97 Ca -0.21 -0.14 0.13 0.00 -0.01 0.00 0.00 64.34 64.11 2ka0 n VAL 97 Cb 0.50 -1.13 0.67 0.00 -0.91 0.00 0.00 33.84 32.97 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 0.28 0.00 -2.24 2.52 3.07 -1.79 -3.43 117.51 115.92 2ka0 h ILE 98 Ca 0.00 -0.04 -0.56 0.00 1.55 0.00 0.00 64.86 65.81 2ka0 h ILE 98 Cb 0.99 0.63 -0.14 0.00 -0.27 0.00 0.00 36.82 38.03 2ka0 h ILE 98 CO 0.00 0.00 -0.66 -0.83 -1.05 0.00 0.00 178.15 175.61 2ka0 s GLY 99 N -3.65 2.09 -0.05 0.16 0.00 -1.26 -3.26 107.32 101.35 2ka0 s GLY 99 Ca -0.02 -2.04 0.00 0.00 0.00 0.00 0.00 44.72 42.66 2ka0 s GLY 99 CO 0.25 -1.95 -0.03 1.25 0.00 0.00 0.00 173.10 172.62 2ka0 s LYS 100 N -3.69 0.76 -0.80 2.90 2.47 -1.08 -3.29 119.74 117.02 2ka0 s LYS 100 Ca 0.32 -0.04 -0.25 0.00 -1.56 0.00 0.00 55.97 54.44 2ka0 s LYS 100 Cb 0.04 -0.89 -0.05 0.00 -1.46 0.00 0.00 37.83 35.47 2ka0 s LYS 100 CO 0.15 -0.16 1.97 0.42 0.16 0.00 0.00 175.35 177.89 2ka0 s ILE 101 N 1.29 3.38 -0.05 5.43 1.01 -0.67 -1.06 121.20 130.52 2ka0 s ILE 101 Ca -0.05 -0.17 -0.05 0.00 0.00 0.00 0.00 60.65 60.38 2ka0 s ILE 101 Cb -0.14 -3.89 -0.03 0.00 0.01 0.00 0.00 42.46 38.42 2ka0 s ILE 101 CO -0.02 -0.84 0.25 -0.37 0.00 0.00 0.00 174.94 173.96 2ka0 h VAL 102 N 7.20 0.00 -2.70 2.92 -1.51 -1.63 -3.43 116.25 117.10 2ka0 h VAL 102 Ca -0.02 -0.55 -0.45 0.00 -1.23 0.00 0.00 66.70 64.45 2ka0 h VAL 102 Cb 1.06 0.00 0.03 0.00 -2.13 0.00 0.00 31.29 30.25 2ka0 h VAL 102 CO 1.20 0.00 -0.07 -1.61 -1.23 0.00 0.00 177.57 175.86 2ka0 s GLU 103 N -2.02 2.91 -0.27 5.19 0.41 -1.24 -4.58 118.70 119.12 2ka0 s GLU 103 Ca -0.02 -0.56 0.00 0.00 -0.41 0.00 0.00 54.97 53.98 2ka0 s GLU 103 Cb 0.00 -2.53 0.00 0.00 -1.78 0.00 0.00 34.13 29.82 2ka0 s GLU 103 CO 0.07 -0.41 0.00 0.41 -0.49 0.00 0.00 175.26 174.84 2ka0 n GLY 104 N -2.17 0.58 0.38 -1.39 0.00 -1.26 -3.19 105.19 98.15 2ka0 n GLY 104 Ca 0.03 -0.59 -0.14 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.05 -1.39 0.99 7.12 -1.84 -2.90 115.31 116.25 2ka0 h LEU 105 Ca -0.05 0.08 -0.01 0.00 0.13 0.00 0.00 57.88 58.03 2ka0 h LEU 105 Cb 0.23 0.35 -0.00 0.00 -0.53 0.00 0.00 40.66 40.70 2ka0 h LEU 105 CO 0.07 -0.50 -0.06 -0.33 -0.13 0.00 0.00 178.44 177.49 2ka0 h GLU 106 N -0.75 0.00 0.00 1.25 5.08 -1.95 -2.24 114.58 115.97 2ka0 h GLU 106 Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2ka0 h GLU 106 Cb 0.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.90 2ka0 h GLU 106 CO -0.05 0.06 0.00 -0.44 -1.00 0.00 0.00 179.01 177.58 2ka0 h ASP 107 N 0.00 0.00 0.52 1.42 5.19 -1.82 -2.83 116.42 118.90 2ka0 h ASP 107 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2ka0 h ASP 107 Cb 0.57 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.08 2ka0 h ASP 107 CO 0.01 0.00 0.00 -0.07 -3.12 0.00 0.00 179.24 176.06 2ka0 h LEU 108 N 0.00 0.00 -2.04 1.55 3.38 -1.41 -2.44 115.31 114.35 2ka0 h LEU 108 Ca 0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 2ka0 h LEU 108 Cb 0.42 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 2ka0 h LEU 108 CO 0.00 0.00 0.06 0.11 0.09 0.00 0.00 178.44 178.70 2ka0 h LYS 109 N 0.00 0.00 -0.28 1.13 1.79 -1.71 -3.27 116.57 114.23 2ka0 h LYS 109 Ca 0.00 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.34 2ka0 h LYS 109 Cb 0.26 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 30.83 2ka0 h LYS 109 CO 0.00 0.00 -0.11 0.36 -1.08 0.00 0.00 179.45 178.62 2ka0 n LYS 110 N -4.45 1.92 -4.01 3.15 2.85 -0.92 -4.99 118.16 111.72 2ka0 n LYS 110 Ca -0.01 -3.12 -0.30 0.00 -1.05 0.00 0.00 58.31 53.83 2ka0 n LYS 110 Cb 0.17 -1.78 -0.06 0.00 -0.65 0.00 0.00 35.03 32.72 2ka0 n LYS 110 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 2ka0 s ILE 111 N -3.17 4.82 0.57 0.58 -1.09 -1.24 -4.82 121.20 116.86 2ka0 s ILE 111 Ca 0.43 -0.67 0.01 0.00 -2.23 0.00 0.00 60.65 58.18 2ka0 s ILE 111 Cb 0.39 -3.35 0.04 0.00 -1.58 0.00 0.00 42.46 37.96 2ka0 s ILE 111 CO 0.00 0.10 0.80 -0.54 -1.23 0.00 0.00 174.94 174.08 2ka0 s LYS 112 N -2.51 2.45 0.00 2.79 -0.14 -1.26 -4.97 119.74 116.10 2ka0 s LYS 112 Ca 0.31 -0.79 0.00 0.00 -1.36 0.00 0.00 55.97 54.13 2ka0 s LYS 112 Cb -0.12 -2.46 0.00 0.00 -1.68 0.00 0.00 37.83 33.57 2ka0 s LYS 112 CO 0.24 -0.80 0.14 -3.47 -0.76 0.00 0.00 175.35 170.70 2ka0 n ASP 113 N -2.41 0.11 -2.65 2.83 2.03 -1.25 -3.75 116.55 111.47 2ka0 n ASP 113 Ca 0.09 -0.39 -0.03 0.00 0.52 0.00 0.00 54.79 54.98 2ka0 n ASP 113 Cb 0.60 -0.06 0.04 0.00 -0.72 0.00 0.00 41.12 40.98 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 0.11 -1.30 2.23 0.27 0.00 -1.05 -4.21 105.19 101.24 2ka0 n GLY 114 Ca 0.00 0.44 -0.26 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.04 2.35 -3.60 1.61 -0.58 -1.25 -4.81 120.64 114.32 2ka0 n GLU 115 Ca -0.19 -3.08 -0.29 0.00 -0.42 0.00 0.00 57.16 53.17 2ka0 n GLU 115 Cb 0.69 -2.20 0.02 0.00 -0.57 0.00 0.00 31.44 29.38 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 -1.09 -1.74 -1.98 3.49 5.02 -1.26 -1.46 118.16 119.14 2ka0 n LYS 116 Ca 0.60 1.14 -0.41 0.00 -2.02 0.00 0.00 58.31 57.63 2ka0 n LYS 116 Cb 1.43 -2.47 -0.03 0.00 -0.02 0.00 0.00 35.03 33.94 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 -2.31 3.39 -0.97 -0.18 0.11 -0.71 -4.47 120.40 115.26 2ka0 s VAL 117 Ca 0.18 0.33 -0.19 0.00 -2.93 0.00 0.00 61.98 59.38 2ka0 s VAL 117 Cb -0.02 -3.72 0.12 0.00 -1.53 0.00 0.00 36.38 31.24 2ka0 s VAL 117 CO 0.88 -0.58 1.20 0.00 -3.33 0.00 0.00 175.10 173.27 2ka0 s ALA 118 N 8.19 3.35 0.19 1.54 0.00 0.04 -2.40 121.76 132.67 2ka0 s ALA 118 Ca 0.76 -2.77 -0.30 0.00 0.00 0.00 0.00 51.96 49.65 2ka0 s ALA 118 Cb -0.18 -4.12 -0.08 0.00 0.00 0.00 0.00 23.12 18.74 2ka0 s ALA 118 CO 0.28 -3.04 1.24 0.08 0.00 0.00 0.00 175.76 174.32 2ka0 s VAL 119 N 2.87 3.44 0.08 0.00 1.01 0.12 -2.90 120.40 125.02 2ka0 s VAL 119 Ca 0.36 1.19 0.01 0.00 0.00 0.00 0.00 61.98 63.54 2ka0 s VAL 119 Cb -0.04 -3.76 -0.00 0.00 0.00 0.00 0.00 36.38 32.57 2ka0 s VAL 119 CO -0.08 0.18 0.07 0.54 0.00 0.00 0.00 175.10 175.81 2ka0 n ARG 120 N 2.59 0.11 -0.00 2.72 1.74 0.74 -1.53 116.66 123.03 2ka0 n ARG 120 Ca 0.05 -0.73 0.12 0.00 -0.77 0.00 0.00 57.85 56.52 2ka0 n ARG 120 Cb 0.44 0.62 0.11 0.00 -1.02 0.00 0.00 32.46 32.61 2ka0 n ARG 120 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 2ka0 n PHE 121 N -0.14 0.01 -2.77 -1.55 3.72 -1.26 -1.38 117.46 114.09 2ka0 n PHE 121 Ca 0.01 -0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.35 2ka0 n PHE 121 Cb 0.14 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.68 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 1.34 -3.14 0.12 4.37 0.00 -1.26 -3.87 120.51 118.07 2ka0 n ALA 122 Ca 0.14 0.98 -0.03 0.00 0.00 0.00 0.00 53.44 54.53 2ka0 n ALA 122 Cb 0.60 -2.99 0.13 0.00 0.00 0.00 0.00 19.45 17.19 2ka0 n ALA 122 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2ka0 n SER 123 N -0.05 3.17 0.00 0.00 7.64 -1.26 -4.93 113.62 118.19 2ka0 n SER 123 Ca 0.09 -2.53 0.15 0.00 1.01 0.00 0.00 58.87 57.58 2ka0 n SER 123 Cb 0.33 -0.61 0.89 0.00 -1.01 0.00 0.00 64.21 63.81 2ka0 n SER 123 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83