#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xke s SER 2 N 0.00 6.45 0.00 1.61 0.01 -1.26 -2.32 113.70 118.19 1xke s SER 2 Ca 0.00 2.44 0.00 0.00 1.31 0.00 0.00 55.95 59.70 1xke s SER 2 Cb 0.00 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.70 1xke s SER 2 CO 0.00 -1.08 0.00 0.61 0.41 0.00 0.00 173.24 173.18 1xke n GLY 3 N 4.50 1.66 0.12 3.44 0.00 -1.26 -4.92 105.19 108.73 1xke n GLY 3 Ca 0.20 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.04 1xke n GLY 3 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1xke h GLU 4 N 0.00 0.29 0.00 1.61 5.08 -1.93 -3.38 114.58 116.24 1xke h GLU 4 Ca 0.00 -0.50 -0.12 0.00 -1.00 0.00 0.00 59.36 57.74 1xke h GLU 4 Cb 0.00 0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1xke h GLU 4 CO 0.00 1.18 -1.03 -0.85 -1.00 0.00 0.00 179.01 177.31 1xke n GLU 5 N -3.50 0.51 -0.71 2.33 0.00 -1.26 -4.96 120.64 113.05 1xke n GLU 5 Ca -0.16 0.47 0.00 0.00 0.00 0.00 0.00 57.16 57.47 1xke n GLU 5 Cb 1.05 -1.65 0.00 0.00 0.00 0.00 0.00 31.44 30.84 1xke n GLU 5 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1xke n ASP 6 N -4.50 -1.71 -4.50 -1.84 2.03 -1.26 -4.96 116.55 99.82 1xke n ASP 6 Ca -0.21 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 54.77 1xke n ASP 6 Cb 0.49 -2.41 -0.13 0.00 -0.72 0.00 0.00 41.12 38.35 1xke n ASP 6 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 1xke s GLU 7 N -1.11 2.54 0.27 -0.67 1.03 -1.26 -0.49 118.70 119.00 1xke s GLU 7 Ca 0.00 -0.67 0.10 0.00 0.03 0.00 0.00 54.97 54.43 1xke s GLU 7 Cb 0.00 -2.41 -0.05 0.00 -0.80 0.00 0.00 34.13 30.86 1xke s GLU 7 CO 0.00 0.63 -0.15 -1.59 -1.33 0.00 0.00 175.26 172.82 1xke s LYS 8 N -0.77 1.60 -0.13 -4.83 -2.85 -0.44 -4.71 119.74 107.61 1xke s LYS 8 Ca 0.12 -1.76 -0.29 0.00 -1.00 0.00 0.00 55.97 53.04 1xke s LYS 8 Cb -0.11 -1.53 -0.03 0.00 -2.06 0.00 0.00 37.83 34.11 1xke s LYS 8 CO 0.01 0.23 1.43 0.08 0.10 0.00 0.00 175.35 177.20 1xke s VAL 9 N -2.70 3.98 -0.03 1.79 1.01 -1.25 0.04 120.40 123.24 1xke s VAL 9 Ca 0.29 1.18 -0.02 0.00 0.00 0.00 0.00 61.98 63.42 1xke s VAL 9 Cb -0.02 -3.79 -0.01 0.00 0.00 0.00 0.00 36.38 32.57 1xke s VAL 9 CO 0.13 -0.14 -0.03 -0.11 0.00 0.00 0.00 175.10 174.95 1xke n LEU 10 N 6.97 0.32 -3.97 3.92 7.94 0.72 -4.94 117.00 127.97 1xke n LEU 10 Ca 0.15 0.29 -0.09 0.00 -1.11 0.00 0.00 56.01 55.25 1xke n LEU 10 Cb 0.44 -0.56 -0.11 0.00 0.53 0.00 0.00 43.42 43.72 1xke n LEU 10 CO 0.59 -0.49 -0.35 -0.72 -1.11 0.00 0.00 177.39 175.31 1xke s TYR 11 N -1.23 0.23 -0.07 1.96 -0.85 -1.26 -4.97 117.35 111.16 1xke s TYR 11 Ca -0.03 -0.48 0.01 0.00 -0.52 0.00 0.00 57.07 56.06 1xke s TYR 11 Cb 0.00 -0.17 0.02 0.00 0.38 0.00 0.00 41.96 42.19 1xke s TYR 11 CO 0.04 -0.19 -0.09 -1.54 -1.52 0.00 0.00 175.55 172.25 1xke s SER 12 N -1.38 1.61 0.04 -0.18 1.04 -1.26 -0.95 113.70 112.61 1xke s SER 12 Ca -0.15 -0.25 -0.14 0.00 0.48 0.00 0.00 55.95 55.89 1xke s SER 12 Cb -0.09 -0.72 0.02 0.00 0.10 0.00 0.00 66.02 65.33 1xke s SER 12 CO -0.01 -0.02 0.32 0.00 0.98 0.00 0.00 173.24 174.51 1xke s GLN 13 N 0.91 0.80 -0.11 4.02 -2.07 0.18 -4.91 119.66 118.48 1xke s GLN 13 Ca -0.10 -0.45 -0.30 0.00 -1.82 0.00 0.00 55.36 52.70 1xke s GLN 13 Cb -0.15 0.35 -0.01 0.00 -1.09 0.00 0.00 33.01 32.11 1xke s GLN 13 CO 0.01 -0.26 1.07 0.50 -1.32 0.00 0.00 175.29 175.29 1xke s ARG 14 N -2.38 4.37 0.37 9.60 3.52 -1.26 0.95 118.95 134.13 1xke s ARG 14 Ca -0.06 1.47 0.04 0.00 -0.13 0.00 0.00 55.73 57.04 1xke s ARG 14 Cb -0.01 -3.57 -0.05 0.00 -1.56 0.00 0.00 34.95 29.76 1xke s ARG 14 CO -0.02 -0.41 0.07 0.54 -0.81 0.00 0.00 175.30 174.67 1xke s VAL 15 N 2.29 1.10 -0.10 7.11 0.11 0.21 -4.82 120.40 126.30 1xke s VAL 15 Ca 0.50 -2.00 0.01 0.00 -2.93 0.00 0.00 61.98 57.56 1xke s VAL 15 Cb -0.19 -2.64 -0.02 0.00 -1.53 0.00 0.00 36.38 32.00 1xke s VAL 15 CO 0.17 0.00 -0.14 -0.54 -3.33 0.00 0.00 175.10 171.26 1xke s LYS 16 N -3.83 3.10 -0.03 1.54 1.02 -0.47 -0.92 119.74 120.15 1xke s LYS 16 Ca 0.30 -0.70 -0.02 0.00 0.02 0.00 0.00 55.97 55.57 1xke s LYS 16 Cb 0.07 -2.53 -0.04 0.00 -0.52 0.00 0.00 37.83 34.80 1xke s LYS 16 CO 0.14 0.33 0.10 -1.17 -0.92 0.00 0.00 175.35 173.83 1xke s LEU 17 N 0.03 4.00 0.00 3.17 2.96 -0.77 -2.20 118.68 125.87 1xke s LEU 17 Ca -0.05 0.22 0.01 0.00 -0.22 0.00 0.00 54.13 54.10 1xke s LEU 17 Cb -0.14 -2.24 -0.01 0.00 0.50 0.00 0.00 46.19 44.30 1xke s LEU 17 CO 0.04 0.30 -0.05 -0.36 -1.32 0.00 0.00 176.35 174.97 1xke s PHE 18 N -1.16 0.43 0.10 5.38 0.40 0.68 0.13 117.98 123.96 1xke s PHE 18 Ca 0.21 -0.12 0.09 0.00 -0.60 0.00 0.00 56.93 56.51 1xke s PHE 18 Cb -0.12 -0.28 -0.04 0.00 0.51 0.00 0.00 43.02 43.09 1xke s PHE 18 CO 0.12 -0.02 -0.20 -0.98 0.70 0.00 0.00 175.22 174.84 1xke s ARG 19 N -0.26 1.77 -0.14 0.44 1.04 0.05 -1.00 118.95 120.85 1xke s ARG 19 Ca 0.01 -1.17 -0.19 0.00 -1.04 0.00 0.00 55.73 53.33 1xke s ARG 19 Cb -0.03 -2.08 -0.04 0.00 -2.04 0.00 0.00 34.95 30.77 1xke s ARG 19 CO -0.00 0.49 0.53 0.12 -0.04 0.00 0.00 175.30 176.40 1xke s PHE 20 N -1.07 3.46 -0.24 5.89 5.36 -0.72 -0.62 117.98 130.04 1xke s PHE 20 Ca 0.16 0.91 -0.21 0.00 -0.96 0.00 0.00 56.93 56.83 1xke s PHE 20 Cb -0.10 -2.65 -0.02 0.00 -0.34 0.00 0.00 43.02 39.91 1xke s PHE 20 CO 0.08 0.04 0.64 0.34 -1.46 0.00 0.00 175.22 174.86 1xke s ASP 21 N 0.86 6.62 0.21 6.13 -1.08 0.25 -4.78 116.67 124.89 1xke s ASP 21 Ca 0.27 0.76 -0.03 0.00 -0.52 0.00 0.00 52.55 53.03 1xke s ASP 21 Cb -0.16 -2.35 0.19 0.00 -1.46 0.00 0.00 42.92 39.15 1xke s ASP 21 CO 0.11 -0.35 1.60 0.00 0.52 0.00 0.00 175.17 177.05 1xke h ALA 22 N 7.77 0.85 0.00 3.66 0.00 -1.93 0.44 119.26 130.05 1xke h ALA 22 Ca -0.28 -0.41 -0.13 0.00 0.00 0.00 0.00 54.91 54.10 1xke h ALA 22 Cb 1.13 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 1xke h ALA 22 CO 0.78 0.64 -0.75 0.93 0.00 0.00 0.00 179.25 180.84 1xke h GLU 23 N 0.57 0.00 -0.00 0.00 5.08 -1.96 -3.14 114.58 115.13 1xke h GLU 23 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1xke h GLU 23 Cb 0.83 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.08 1xke h GLU 23 CO 0.07 0.50 -0.98 0.28 -1.00 0.00 0.00 179.01 177.88 1xke n VAL 24 N -3.16 0.00 -3.65 3.13 0.31 -1.19 -4.93 118.33 108.84 1xke n VAL 24 Ca -0.01 -0.01 -0.27 0.00 -0.01 0.00 0.00 64.34 64.04 1xke n VAL 24 Cb 0.78 1.00 0.01 0.00 -0.91 0.00 0.00 33.84 34.72 1xke n VAL 24 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1xke n SER 25 N -1.48 -4.29 -4.03 4.52 7.64 0.13 -4.96 113.62 111.16 1xke n SER 25 Ca 0.04 -0.60 -0.15 0.00 1.01 0.00 0.00 58.87 59.16 1xke n SER 25 Cb 0.33 -3.49 -0.13 0.00 -1.01 0.00 0.00 64.21 59.91 1xke n SER 25 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 1xke s GLN 26 N -6.33 0.54 -0.20 1.43 0.74 0.11 -4.82 119.66 111.13 1xke s GLN 26 Ca 0.54 -0.50 -0.19 0.00 0.05 0.00 0.00 55.36 55.25 1xke s GLN 26 Cb -0.28 -0.44 -0.03 0.00 1.10 0.00 0.00 33.01 33.37 1xke s GLN 26 CO 0.66 0.10 0.57 1.67 -0.55 0.00 0.00 175.29 177.74 1xke s TRP 27 N -0.74 3.37 -0.02 1.67 -2.14 -1.26 0.88 118.94 120.70 1xke s TRP 27 Ca -0.03 0.83 -0.17 0.00 2.66 0.00 0.00 56.10 59.39 1xke s TRP 27 Cb -0.06 -2.73 0.03 0.00 -3.10 0.00 0.00 33.47 27.61 1xke s TRP 27 CO 0.00 -0.14 0.37 0.21 -2.66 0.00 0.00 176.95 174.73 1xke s LYS 28 N 1.80 0.73 0.39 3.25 2.20 0.21 -4.96 119.74 123.36 1xke s LYS 28 Ca 0.26 -0.12 -0.27 0.00 -0.36 0.00 0.00 55.97 55.48 1xke s LYS 28 Cb -0.16 0.33 -0.11 0.00 -1.51 0.00 0.00 37.83 36.39 1xke s LYS 28 CO 0.10 -0.21 1.39 -0.85 -0.36 0.00 0.00 175.35 175.42 1xke n GLU 29 N 1.21 2.32 -0.00 4.03 -0.00 -1.26 -0.77 120.64 126.17 1xke n GLU 29 Ca -0.21 0.82 0.05 0.00 -0.00 0.00 0.00 57.16 57.81 1xke n GLU 29 Cb 0.56 -2.52 -0.12 0.00 -0.00 0.00 0.00 31.44 29.35 1xke n GLU 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1xke n ARG 30 N 0.28 0.65 -0.54 3.44 1.74 0.35 -4.76 116.66 117.82 1xke n ARG 30 Ca 0.04 -0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 1xke n ARG 30 Cb 0.39 -1.62 0.00 0.00 -1.02 0.00 0.00 32.46 30.20 1xke n ARG 30 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xke n GLY 31 N 1.37 -0.51 3.06 -0.13 0.00 -1.15 -4.97 105.19 102.86 1xke n GLY 31 Ca -0.10 -0.80 -0.08 0.00 0.00 0.00 0.00 46.02 45.05 1xke n GLY 31 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xke s LEU 32 N 0.00 2.41 0.00 0.99 2.01 -1.26 -1.85 118.68 120.98 1xke s LEU 32 Ca 0.00 -0.85 0.00 0.00 0.01 0.00 0.00 54.13 53.29 1xke s LEU 32 Cb 0.00 0.18 0.00 0.00 0.01 0.00 0.00 46.19 46.38 1xke s LEU 32 CO 0.00 -0.51 0.00 0.61 1.01 0.00 0.00 176.35 177.46 1xke n GLY 33 N 0.54 -2.24 3.62 -3.19 0.00 -0.09 -4.02 105.19 99.80 1xke n GLY 33 Ca -0.17 -1.35 -0.42 0.00 0.00 0.00 0.00 46.02 44.09 1xke n GLY 33 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1xke s ASN 34 N -1.19 6.69 -0.25 1.61 2.47 -0.42 0.65 114.94 124.49 1xke s ASN 34 Ca 0.00 0.70 -0.19 0.00 0.42 0.00 0.00 52.86 53.79 1xke s ASN 34 Cb 0.00 -2.41 -0.02 0.00 -1.45 0.00 0.00 41.25 37.36 1xke s ASN 34 CO 0.00 -0.62 0.58 -0.22 -3.72 0.00 0.00 177.10 173.12 1xke s LEU 35 N 2.98 4.07 0.21 3.21 0.20 0.27 -2.12 118.68 127.49 1xke s LEU 35 Ca 0.33 0.65 0.10 0.00 0.69 0.00 0.00 54.13 55.90 1xke s LEU 35 Cb -0.14 -2.78 -0.05 0.00 -0.43 0.00 0.00 46.19 42.79 1xke s LEU 35 CO 0.12 -0.32 -0.19 -1.59 -0.29 0.00 0.00 176.35 174.08 1xke s LYS 36 N 2.35 1.45 -0.14 1.98 -2.85 0.14 0.50 119.74 123.17 1xke s LYS 36 Ca 0.24 -1.56 -0.03 0.00 -1.00 0.00 0.00 55.97 53.62 1xke s LYS 36 Cb -0.16 -1.52 -0.03 0.00 -2.06 0.00 0.00 37.83 34.06 1xke s LYS 36 CO 0.09 0.30 -0.02 0.42 0.10 0.00 0.00 175.35 176.24 1xke s ILE 37 N -2.25 4.06 -0.13 3.79 -1.09 -0.13 -0.36 121.20 125.09 1xke s ILE 37 Ca 0.22 -0.31 -0.03 0.00 -2.23 0.00 0.00 60.65 58.30 1xke s ILE 37 Cb -0.05 -2.76 -0.03 0.00 -1.58 0.00 0.00 42.46 38.04 1xke s ILE 37 CO 0.10 0.52 -0.04 -0.76 -1.23 0.00 0.00 174.94 173.53 1xke s LEU 38 N 0.02 3.27 -0.20 2.97 1.43 0.72 -0.20 118.68 126.68 1xke s LEU 38 Ca 0.01 -0.08 -0.01 0.00 -1.03 0.00 0.00 54.13 53.03 1xke s LEU 38 Cb -0.13 -1.77 0.01 0.00 0.03 0.00 0.00 46.19 44.34 1xke s LEU 38 CO 0.02 0.23 -0.13 -0.75 0.23 0.00 0.00 176.35 175.95 1xke s LYS 39 N -0.03 3.07 0.34 1.70 2.36 0.11 -0.55 119.74 126.74 1xke s LYS 39 Ca 0.01 -0.80 -0.28 0.00 -2.55 0.00 0.00 55.97 52.35 1xke s LYS 39 Cb -0.13 -2.76 -0.10 0.00 -1.05 0.00 0.00 37.83 33.78 1xke s LYS 39 CO 0.03 -0.24 1.33 -0.80 1.55 0.00 0.00 175.35 177.22 1xke s ASN 40 N 1.35 6.68 0.29 1.43 -0.87 -1.01 -1.33 114.94 121.48 1xke s ASN 40 Ca 0.04 2.74 0.16 0.00 -1.57 0.00 0.00 52.86 54.23 1xke s ASN 40 Cb -0.14 -2.65 0.19 0.00 -0.02 0.00 0.00 41.25 38.63 1xke s ASN 40 CO -0.09 -0.60 1.50 -0.33 -2.57 0.00 0.00 177.10 175.01 1xke h GLU 41 N 3.28 0.00 0.00 -0.60 4.39 -1.15 -2.37 114.58 118.13 1xke h GLU 41 Ca -0.49 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.21 1xke h GLU 41 Cb 1.23 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 1xke h GLU 41 CO 0.65 0.49 0.00 0.28 -1.16 0.00 0.00 179.01 179.27 1xke h VAL 42 N 0.00 0.00 -2.11 3.13 2.07 -1.92 -3.46 116.25 113.96 1xke h VAL 42 Ca -0.00 -0.62 -0.17 0.00 0.82 0.00 0.00 66.70 66.72 1xke h VAL 42 Cb 1.30 1.58 0.02 0.00 -1.52 0.00 0.00 31.29 32.67 1xke h VAL 42 CO 0.06 0.00 -0.26 -3.20 0.02 0.00 0.00 177.57 174.20 1xke n ASN 43 N -2.63 -3.47 0.00 0.57 5.15 -0.89 -4.99 115.26 109.01 1xke n ASN 43 Ca 0.04 -0.11 0.00 0.00 -0.60 0.00 0.00 54.58 53.91 1xke n ASN 43 Cb 0.42 -2.41 0.00 0.00 -0.53 0.00 0.00 39.78 37.26 1xke n ASN 43 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1xke n GLY 44 N -1.07 -0.78 3.21 8.20 0.00 -1.26 -4.98 105.19 108.50 1xke n GLY 44 Ca -0.05 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 1xke n GLY 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xke s LYS 45 N -1.29 1.23 0.04 1.61 1.02 -1.26 -5.04 119.74 116.06 1xke s LYS 45 Ca 0.00 -1.64 0.07 0.00 0.02 0.00 0.00 55.97 54.42 1xke s LYS 45 Cb 0.00 0.28 -0.02 0.00 -0.52 0.00 0.00 37.83 37.56 1xke s LYS 45 CO 0.00 -0.41 -0.20 -0.51 -0.92 0.00 0.00 175.35 173.31 1xke s LEU 46 N -3.17 2.17 0.13 3.17 2.01 -1.26 -2.40 118.68 119.33 1xke s LEU 46 Ca 0.39 -0.52 0.05 0.00 0.01 0.00 0.00 54.13 54.06 1xke s LEU 46 Cb 0.07 -0.93 -0.04 0.00 0.01 0.00 0.00 46.19 45.30 1xke s LEU 46 CO 0.13 0.14 -0.12 -0.13 1.01 0.00 0.00 176.35 177.38 1xke s ARG 47 N -1.19 1.01 -0.20 1.70 0.52 0.29 -1.70 118.95 119.38 1xke s ARG 47 Ca 0.07 -1.30 -0.00 0.00 -0.52 0.00 0.00 55.73 53.97 1xke s ARG 47 Cb -0.09 -0.74 0.02 0.00 0.52 0.00 0.00 34.95 34.65 1xke s ARG 47 CO 0.02 0.12 -0.15 -1.64 0.02 0.00 0.00 175.30 173.67 1xke s MET 48 N -3.08 3.04 0.14 3.54 -1.94 0.32 -0.20 119.30 121.12 1xke s MET 48 Ca 0.11 -0.82 0.10 0.00 -1.71 0.00 0.00 55.69 53.37 1xke s MET 48 Cb -0.02 -2.72 -0.04 0.00 2.01 0.00 0.00 34.83 34.06 1xke s MET 48 CO 0.02 -0.24 -0.23 -0.48 -0.01 0.00 0.00 175.02 174.08 1xke s LEU 49 N 1.33 2.36 -0.04 -0.03 2.34 0.51 0.01 118.68 125.16 1xke s LEU 49 Ca 0.04 -0.78 -0.00 0.00 0.06 0.00 0.00 54.13 53.45 1xke s LEU 49 Cb -0.14 -1.03 0.03 0.00 -0.56 0.00 0.00 46.19 44.49 1xke s LEU 49 CO -0.10 0.09 0.02 0.00 -1.06 0.00 0.00 176.35 175.30 1xke s MET 50 N -2.30 0.20 0.06 1.48 0.23 -0.89 0.28 119.30 118.36 1xke s MET 50 Ca 0.14 0.16 0.03 0.00 -1.03 0.00 0.00 55.69 54.99 1xke s MET 50 Cb -0.09 -0.51 -0.04 0.00 -1.53 0.00 0.00 34.83 32.67 1xke s MET 50 CO 0.06 -0.20 0.02 0.50 -2.03 0.00 0.00 175.02 173.37 1xke s ARG 51 N 1.39 2.72 -0.19 3.16 3.52 -0.90 0.40 118.95 129.05 1xke s ARG 51 Ca -0.05 -0.72 -0.26 0.00 -0.13 0.00 0.00 55.73 54.58 1xke s ARG 51 Cb -0.13 -2.64 -0.01 0.00 -1.56 0.00 0.00 34.95 30.61 1xke s ARG 51 CO -0.03 0.58 0.86 1.03 -0.81 0.00 0.00 175.30 176.93 1xke s ARG 52 N -2.07 4.28 0.04 5.12 0.52 -0.28 -1.30 118.95 125.24 1xke s ARG 52 Ca 0.25 1.06 -0.18 0.00 -0.52 0.00 0.00 55.73 56.33 1xke s ARG 52 Cb -0.12 -3.59 -0.09 0.00 0.52 0.00 0.00 34.95 31.67 1xke s ARG 52 CO 0.17 -0.40 1.28 0.93 0.02 0.00 0.00 175.30 177.30 1xke h GLU 53 N 7.41 -0.53 0.00 3.54 5.08 -1.89 0.23 114.58 128.41 1xke h GLU 53 Ca -0.27 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1xke h GLU 53 Cb 1.12 0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1xke h GLU 53 CO 0.86 -0.36 -0.13 0.94 -1.00 0.00 0.00 179.01 179.32 1xke n GLN 54 N -3.90 0.22 0.00 2.33 -0.06 -1.26 -2.37 117.38 112.34 1xke n GLN 54 Ca -0.07 0.15 0.14 0.00 -2.00 0.00 0.00 57.00 55.23 1xke n GLN 54 Cb 0.24 -1.73 0.63 0.00 -4.06 0.00 0.00 30.24 25.32 1xke n GLN 54 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 1xke n VAL 55 N -2.10 0.00 -0.76 1.69 0.31 -1.03 -4.91 118.33 111.53 1xke n VAL 55 Ca 0.05 -0.08 -0.02 0.00 -0.01 0.00 0.00 64.34 64.29 1xke n VAL 55 Cb 0.42 -0.06 -0.01 0.00 -0.91 0.00 0.00 33.84 33.28 1xke n VAL 55 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1xke n LEU 56 N -0.83 0.39 -3.93 7.52 7.94 0.77 -4.88 117.00 123.98 1xke n LEU 56 Ca 0.16 0.05 -0.31 0.00 -1.11 0.00 0.00 56.01 54.80 1xke n LEU 56 Cb 0.27 -1.83 -0.15 0.00 0.53 0.00 0.00 43.42 42.24 1xke n LEU 56 CO 0.22 -0.66 -0.36 -0.75 -1.11 0.00 0.00 177.39 174.74 1xke s LYS 57 N -1.58 1.36 -0.21 1.96 2.47 -1.03 -4.87 119.74 117.84 1xke s LYS 57 Ca 0.00 -1.46 -0.32 0.00 -1.56 0.00 0.00 55.97 52.63 1xke s LYS 57 Cb 0.00 -2.75 -0.15 0.00 -1.46 0.00 0.00 37.83 33.47 1xke s LYS 57 CO 0.00 -0.86 1.01 1.55 0.16 0.00 0.00 175.35 177.21 1xke n VAL 58 N 4.50 0.00 -0.02 4.02 3.14 -1.26 -1.13 118.33 127.58 1xke n VAL 58 Ca -0.02 0.00 -0.01 0.00 -2.96 0.00 0.00 64.34 61.35 1xke n VAL 58 Cb 0.42 -0.21 -0.03 0.00 -1.06 0.00 0.00 33.84 32.96 1xke n VAL 58 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1xke s ALA 60 N -2.13 0.91 -0.44 0.00 0.00 -1.09 -3.61 121.76 115.40 1xke s ALA 60 Ca -0.02 -0.26 -0.15 0.00 0.00 0.00 0.00 51.96 51.53 1xke s ALA 60 Cb 0.01 -0.75 0.04 0.00 0.00 0.00 0.00 23.12 22.43 1xke s ALA 60 CO 0.17 -0.37 0.35 1.21 0.00 0.00 0.00 175.76 177.12 1xke s ASN 61 N 1.70 6.13 -0.16 0.00 2.47 -1.26 -2.09 114.94 121.73 1xke s ASN 61 Ca 0.02 -1.09 -0.00 0.00 0.42 0.00 0.00 52.86 52.21 1xke s ASN 61 Cb -0.13 -2.17 -0.00 0.00 -1.45 0.00 0.00 41.25 37.50 1xke s ASN 61 CO -0.05 -0.55 -0.14 -1.00 -3.72 0.00 0.00 177.10 171.64 1xke s HIS 62 N 1.68 2.80 0.30 0.43 3.76 0.10 -3.04 115.29 121.33 1xke s HIS 62 Ca 0.05 -1.06 -0.17 0.00 -0.15 0.00 0.00 55.06 53.73 1xke s HIS 62 Cb -0.21 -1.91 -0.09 0.00 1.11 0.00 0.00 32.58 31.47 1xke s HIS 62 CO 0.09 -0.50 0.76 -1.58 -0.85 0.00 0.00 174.74 172.66 1xke s TRP 63 N 0.90 3.45 -0.43 1.40 0.51 -1.26 0.12 118.94 123.64 1xke s TRP 63 Ca -0.03 1.32 -0.06 0.00 -2.12 0.00 0.00 56.10 55.21 1xke s TRP 63 Cb -0.15 -2.60 0.11 0.00 -0.81 0.00 0.00 33.47 30.02 1xke s TRP 63 CO -0.01 0.15 0.25 -1.50 -0.51 0.00 0.00 176.95 175.33 1xke s ILE 64 N -1.86 3.70 0.12 2.03 -1.16 -0.69 -4.86 121.20 118.48 1xke s ILE 64 Ca 0.52 -1.88 -0.06 0.00 -0.51 0.00 0.00 60.65 58.72 1xke s ILE 64 Cb -0.12 -3.46 -0.02 0.00 0.61 0.00 0.00 42.46 39.47 1xke s ILE 64 CO 0.18 -0.69 0.15 0.28 -2.81 0.00 0.00 174.94 172.06 1xke s THR 65 N 1.25 0.12 -1.59 4.00 -1.32 -1.26 -4.59 115.64 112.25 1xke s THR 65 Ca 0.06 -1.54 0.25 0.00 -1.21 0.00 0.00 61.69 59.25 1xke s THR 65 Cb -0.24 -1.72 0.51 0.00 -1.51 0.00 0.00 72.50 69.54 1xke s THR 65 CO -0.02 -0.54 1.82 0.35 -2.21 0.00 0.00 174.62 174.02 1xke n THR 66 N -0.09 0.17 1.79 5.08 -2.24 -1.24 -2.76 114.28 114.98 1xke n THR 66 Ca -0.10 0.04 0.09 0.00 -2.27 0.00 0.00 64.05 61.82 1xke n THR 66 Cb 0.63 -0.64 0.48 0.00 -2.10 0.00 0.00 70.33 68.69 1xke n THR 66 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1xke n THR 67 N -1.21 0.06 -4.11 4.28 -1.04 -1.26 -4.69 114.28 106.31 1xke n THR 67 Ca 0.14 -0.09 -0.10 0.00 -2.04 0.00 0.00 64.05 61.95 1xke n THR 67 Cb 0.16 -0.10 -0.09 0.00 -1.82 0.00 0.00 70.33 68.48 1xke n THR 67 CO 0.00 0.00 0.00 -0.32 -0.64 0.00 0.00 175.07 174.11 1xke s MET 68 N -1.94 1.11 0.00 -2.82 0.00 -1.11 -5.11 119.30 109.44 1xke s MET 68 Ca 0.28 -1.43 -0.01 0.00 0.00 0.00 0.00 55.69 54.53 1xke s MET 68 Cb 0.13 0.30 -0.01 0.00 0.00 0.00 0.00 34.83 35.26 1xke s MET 68 CO 0.22 -0.37 0.01 1.21 0.00 0.00 0.00 175.02 176.09 1xke s ASN 69 N -3.06 0.07 -0.11 1.11 3.04 -1.26 -4.87 114.94 109.86 1xke s ASN 69 Ca 0.27 -0.16 -0.12 0.00 0.04 0.00 0.00 52.86 52.89 1xke s ASN 69 Cb 0.06 0.07 -0.05 0.00 -1.54 0.00 0.00 41.25 39.79 1xke s ASN 69 CO 0.05 -0.13 0.26 -1.48 -3.04 0.00 0.00 177.10 172.77 1xke s LEU 70 N -0.57 4.34 -0.02 3.21 0.05 -1.26 -3.72 118.68 120.71 1xke s LEU 70 Ca -0.06 0.59 0.04 0.00 0.05 0.00 0.00 54.13 54.75 1xke s LEU 70 Cb -0.04 -2.31 -0.01 0.00 -2.05 0.00 0.00 46.19 41.78 1xke s LEU 70 CO -0.00 0.26 -0.14 -0.75 -0.55 0.00 0.00 176.35 175.16 1xke s LYS 71 N -0.38 1.29 0.21 1.48 2.20 0.21 -4.91 119.74 119.84 1xke s LYS 71 Ca 0.17 -0.51 -0.19 0.00 -0.36 0.00 0.00 55.97 55.08 1xke s LYS 71 Cb -0.13 -1.21 -0.08 0.00 -1.51 0.00 0.00 37.83 34.89 1xke s LYS 71 CO 0.06 0.27 0.70 -1.25 -0.36 0.00 0.00 175.35 174.77 1xke s PRO 72 N -0.18 4.22 0.41 4.03 0.04 -1.26 0.64 135.00 142.89 1xke s PRO 72 Ca 0.02 0.83 0.00 0.00 0.04 0.00 0.00 61.00 61.89 1xke s PRO 72 Cb -0.07 -2.89 0.08 0.00 0.04 0.00 0.00 34.50 31.65 1xke s PRO 72 CO 0.00 0.41 0.56 1.47 0.04 0.00 0.00 177.00 179.48 1xke n LEU 73 N 0.76 0.00 -4.85 -3.56 -0.00 -1.25 -4.91 117.00 103.19 1xke n LEU 73 Ca -0.03 -1.21 -0.35 0.00 -0.00 0.00 0.00 56.01 54.42 1xke n LEU 73 Cb 0.51 -0.36 -0.06 0.00 -0.00 0.00 0.00 43.42 43.51 1xke n LEU 73 CO 0.43 -0.77 0.21 -0.44 -0.00 0.00 0.00 177.39 176.82 1xke s SER 74 N -3.30 6.81 0.00 1.45 0.01 -1.26 -4.27 113.70 113.13 1xke s SER 74 Ca 0.38 1.04 0.00 0.00 1.31 0.00 0.00 55.95 58.67 1xke s SER 74 Cb -0.02 -2.27 0.00 0.00 0.21 0.00 0.00 66.02 63.94 1xke s SER 74 CO 0.25 0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.63 1xke n GLY 75 N 0.88 1.00 3.78 3.44 0.00 -1.26 -4.98 105.19 108.05 1xke n GLY 75 Ca -0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 1xke n GLY 75 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xke s SER 76 N -3.02 7.27 -0.13 1.61 1.04 -1.26 -4.95 113.70 114.26 1xke s SER 76 Ca 0.00 1.92 -0.26 0.00 0.48 0.00 0.00 55.95 58.10 1xke s SER 76 Cb 0.00 -2.59 -0.23 0.00 0.10 0.00 0.00 66.02 63.30 1xke s SER 76 CO 0.00 -0.12 0.72 -2.24 0.98 0.00 0.00 173.24 172.58 1xke h ASP 77 N 3.22 -0.00 0.00 7.02 3.04 -1.95 -3.43 116.42 124.32 1xke h ASP 77 Ca -0.47 -0.86 -0.15 0.00 -3.24 0.00 0.00 57.03 52.32 1xke h ASP 77 Cb 1.20 0.00 -0.12 0.00 -1.04 0.00 0.00 39.33 39.37 1xke h ASP 77 CO 0.65 0.91 -0.07 -1.14 -2.04 0.00 0.00 179.24 177.54 1xke n ARG 78 N -4.65 0.64 -4.40 4.15 3.00 -1.26 -4.86 116.66 109.28 1xke n ARG 78 Ca -0.09 -1.22 -0.35 0.00 -0.00 0.00 0.00 57.85 56.19 1xke n ARG 78 Cb 0.41 -0.11 -0.10 0.00 0.00 0.00 0.00 32.46 32.67 1xke n ARG 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1xke s ALA 79 N 0.11 3.25 0.11 5.13 0.00 -1.26 -4.26 121.76 124.84 1xke s ALA 79 Ca 0.13 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.27 1xke s ALA 79 Cb 0.23 -1.45 -0.04 0.00 0.00 0.00 0.00 23.12 21.86 1xke s ALA 79 CO -0.06 0.59 -0.01 -1.58 0.00 0.00 0.00 175.76 174.70 1xke s TRP 80 N -0.89 0.85 0.02 0.00 0.52 -1.22 -3.90 118.94 114.33 1xke s TRP 80 Ca 0.14 -1.06 0.05 0.00 0.02 0.00 0.00 56.10 55.24 1xke s TRP 80 Cb -0.11 -0.51 -0.02 0.00 -1.15 0.00 0.00 33.47 31.68 1xke s TRP 80 CO 0.03 -0.32 -0.16 0.00 0.02 0.00 0.00 176.95 176.52 1xke s MET 81 N -3.93 1.12 0.06 4.98 0.23 0.21 -2.18 119.30 119.79 1xke s MET 81 Ca 0.16 -0.70 0.03 0.00 -1.03 0.00 0.00 55.69 54.15 1xke s MET 81 Cb 0.07 -1.13 -0.03 0.00 -1.53 0.00 0.00 34.83 32.21 1xke s MET 81 CO -0.03 0.29 -0.09 1.67 -2.03 0.00 0.00 175.02 174.84 1xke s TRP 82 N -0.64 0.82 -0.22 3.16 -2.14 0.66 0.64 118.94 121.22 1xke s TRP 82 Ca 0.04 -0.56 -0.10 0.00 2.66 0.00 0.00 56.10 58.14 1xke s TRP 82 Cb -0.07 -0.48 -0.05 0.00 -3.10 0.00 0.00 33.47 29.77 1xke s TRP 82 CO 0.01 -0.06 0.14 -0.48 -2.66 0.00 0.00 176.95 173.89 1xke s LEU 83 N -1.89 4.07 0.05 -4.66 2.34 -1.24 -0.96 118.68 116.39 1xke s LEU 83 Ca -0.04 0.12 -0.05 0.00 0.06 0.00 0.00 54.13 54.22 1xke s LEU 83 Cb -0.07 -2.08 -0.02 0.00 -0.56 0.00 0.00 46.19 43.47 1xke s LEU 83 CO -0.00 0.10 0.09 0.00 -1.06 0.00 0.00 176.35 175.48 1xke s ALA 84 N 0.82 0.02 -0.69 1.48 0.00 0.13 -4.79 121.76 118.72 1xke s ALA 84 Ca 0.07 -0.71 -0.23 0.00 0.00 0.00 0.00 51.96 51.09 1xke s ALA 84 Cb -0.13 0.31 0.07 0.00 0.00 0.00 0.00 23.12 23.37 1xke s ALA 84 CO 0.02 -0.37 1.01 -1.54 0.00 0.00 0.00 175.76 174.88 1xke s SER 85 N -2.46 6.20 0.40 0.00 1.04 -1.25 -1.35 113.70 116.28 1xke s SER 85 Ca -0.00 -1.02 0.08 0.00 0.48 0.00 0.00 55.95 55.49 1xke s SER 85 Cb 0.02 -2.43 -0.04 0.00 0.10 0.00 0.00 66.02 63.67 1xke s SER 85 CO -0.07 -1.46 0.26 -0.62 0.98 0.00 0.00 173.24 172.33 1xke s ASP 86 N 3.71 4.77 0.00 7.02 -1.08 0.42 -4.49 116.67 127.02 1xke s ASP 86 Ca 0.24 -0.85 0.00 0.00 -0.52 0.00 0.00 52.55 51.42 1xke s ASP 86 Cb -0.15 -0.60 0.00 0.00 -1.46 0.00 0.00 42.92 40.71 1xke s ASP 86 CO 0.09 -0.53 0.00 0.49 0.52 0.00 0.00 175.17 175.75 1xke n PHE 87 N -1.35 0.00 -0.04 -5.34 3.72 -1.24 -0.71 117.46 112.50 1xke n PHE 87 Ca 0.00 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.29 1xke n PHE 87 Cb 0.63 -0.74 0.02 0.00 -0.94 0.00 0.00 39.48 38.45 1xke n PHE 87 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 1xke h SER 88 N 0.00 0.77 0.00 4.37 0.02 -1.86 0.15 113.55 117.00 1xke h SER 88 Ca 0.00 -0.40 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 1xke h SER 88 Cb 0.00 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.32 1xke h SER 88 CO 0.00 1.15 0.00 -0.67 -1.14 0.00 0.00 176.83 176.17 1xke n ASP 89 N -3.99 0.98 -0.03 3.07 2.03 -1.26 -4.35 116.55 113.00 1xke n ASP 89 Ca -0.03 -1.38 0.01 0.00 0.52 0.00 0.00 54.79 53.90 1xke n ASP 89 Cb 0.60 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 41.00 1xke n ASP 89 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xke n GLY 90 N -0.19 -0.30 0.00 0.27 0.00 -1.23 -5.09 105.19 98.65 1xke n GLY 90 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1xke n GLY 90 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1xke n ASP 91 N -0.44 -1.56 -4.72 1.61 2.03 0.45 -4.94 116.55 108.99 1xke n ASP 91 Ca 0.01 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.90 1xke n ASP 91 Cb 0.03 0.93 -0.03 0.00 -0.72 0.00 0.00 41.12 41.33 1xke n ASP 91 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1xke s ALA 92 N -1.25 3.42 0.17 -1.67 0.00 -0.82 -4.48 121.76 117.14 1xke s ALA 92 Ca 0.00 0.89 0.02 0.00 0.00 0.00 0.00 51.96 52.87 1xke s ALA 92 Cb 0.00 -3.45 -0.05 0.00 0.00 0.00 0.00 23.12 19.62 1xke s ALA 92 CO 0.00 -0.44 0.01 0.21 0.00 0.00 0.00 175.76 175.53 1xke s LYS 93 N 0.88 1.10 -0.14 0.00 2.20 0.11 -4.89 119.74 119.00 1xke s LYS 93 Ca 0.59 -1.53 -0.06 0.00 -0.36 0.00 0.00 55.97 54.61 1xke s LYS 93 Cb -0.31 -0.24 -0.04 0.00 -1.51 0.00 0.00 37.83 35.73 1xke s LYS 93 CO 0.30 -0.14 0.05 -0.48 -0.36 0.00 0.00 175.35 174.72 1xke s LEU 94 N -3.17 3.78 0.12 5.43 2.34 -1.26 -0.43 118.68 125.50 1xke s LEU 94 Ca 0.24 0.14 -0.04 0.00 0.06 0.00 0.00 54.13 54.52 1xke s LEU 94 Cb 0.06 -1.92 -0.03 0.00 -0.56 0.00 0.00 46.19 43.74 1xke s LEU 94 CO 0.04 0.26 0.13 -0.70 -1.06 0.00 0.00 176.35 175.02 1xke s GLU 95 N -0.17 0.94 -0.34 1.48 2.56 -0.46 -4.95 118.70 117.76 1xke s GLU 95 Ca 0.07 -1.26 -0.12 0.00 0.00 0.00 0.00 54.97 53.66 1xke s GLU 95 Cb -0.12 0.29 -0.01 0.00 2.00 0.00 0.00 34.13 36.29 1xke s GLU 95 CO 0.01 -0.29 0.23 -0.65 -0.56 0.00 0.00 175.26 174.01 1xke s GLN 96 N -3.98 3.43 0.05 4.30 1.11 -1.26 -0.70 119.66 122.61 1xke s GLN 96 Ca 0.17 -0.69 0.09 0.00 0.01 0.00 0.00 55.36 54.94 1xke s GLN 96 Cb 0.06 -3.78 -0.03 0.00 -1.01 0.00 0.00 33.01 28.25 1xke s GLN 96 CO -0.02 -0.46 -0.24 -0.51 0.01 0.00 0.00 175.29 174.06 1xke s LEU 97 N 1.70 2.18 0.31 2.90 1.43 -0.14 -1.76 118.68 125.30 1xke s LEU 97 Ca 0.06 -0.58 0.11 0.00 -1.03 0.00 0.00 54.13 52.68 1xke s LEU 97 Cb -0.17 -1.15 -0.06 0.00 0.03 0.00 0.00 46.19 44.84 1xke s LEU 97 CO 0.10 0.21 -0.15 0.00 0.23 0.00 0.00 176.35 176.73 1xke s ALA 98 N -0.84 2.85 -0.13 4.21 0.00 -0.17 -0.24 121.76 127.43 1xke s ALA 98 Ca 0.10 -1.96 -0.11 0.00 0.00 0.00 0.00 51.96 49.99 1xke s ALA 98 Cb -0.10 -0.19 0.04 0.00 0.00 0.00 0.00 23.12 22.87 1xke s ALA 98 CO 0.02 0.20 0.34 0.00 0.00 0.00 0.00 175.76 176.32 1xke s ALA 99 N -2.54 -0.85 0.04 0.00 0.00 -0.92 -0.23 121.76 117.26 1xke s ALA 99 Ca 0.31 1.04 0.04 0.00 0.00 0.00 0.00 51.96 53.35 1xke s ALA 99 Cb -0.02 -0.62 -0.02 0.00 0.00 0.00 0.00 23.12 22.46 1xke s ALA 99 CO 0.16 -0.18 -0.11 -1.59 0.00 0.00 0.00 175.76 174.04 1xke s LYS 100 N 0.45 0.72 0.35 0.00 -2.85 -0.93 -3.38 119.74 114.10 1xke s LYS 100 Ca -0.02 -0.70 0.06 0.00 -1.00 0.00 0.00 55.97 54.31 1xke s LYS 100 Cb -0.04 -0.65 -0.01 0.00 -2.06 0.00 0.00 37.83 35.08 1xke s LYS 100 CO -0.02 0.15 0.50 -0.06 0.10 0.00 0.00 175.35 176.02 1xke s PHE 101 N -0.96 3.08 0.18 1.78 0.40 -1.26 -1.37 117.98 119.84 1xke s PHE 101 Ca -0.02 -0.21 -0.13 0.00 -0.60 0.00 0.00 56.93 55.97 1xke s PHE 101 Cb -0.08 -2.07 0.17 0.00 0.51 0.00 0.00 43.02 41.55 1xke s PHE 101 CO 0.01 -0.09 1.76 0.87 0.70 0.00 0.00 175.22 178.47 1xke h LYS 102 N 0.82 0.41 -5.30 0.44 1.57 -1.94 -3.44 116.57 109.13 1xke h LYS 102 Ca -0.45 -0.02 -0.39 0.00 -1.87 0.00 0.00 60.65 57.92 1xke h LYS 102 Cb 1.26 -0.09 -0.14 0.00 0.08 0.00 0.00 32.23 33.33 1xke h LYS 102 CO 0.52 0.27 -0.72 0.95 -0.57 0.00 0.00 179.45 179.90 1xke s THR 103 N -6.13 1.43 -1.48 -0.16 -4.23 -1.26 -5.00 115.64 98.82 1xke s THR 103 Ca -0.13 -2.13 0.03 0.00 -1.18 0.00 0.00 61.69 58.28 1xke s THR 103 Cb 0.14 -1.96 0.05 0.00 1.34 0.00 0.00 72.50 72.07 1xke s THR 103 CO 0.73 -0.66 0.88 -2.65 -0.54 0.00 0.00 174.62 172.38 1xke n PRO 104 N -0.29 0.04 0.11 3.99 -0.02 -1.26 -0.36 135.00 137.21 1xke n PRO 104 Ca -0.09 0.24 -0.12 0.00 -2.02 0.00 0.00 63.50 61.51 1xke n PRO 104 Cb 0.61 -1.50 -0.08 0.00 -0.02 0.00 0.00 33.50 32.51 1xke n PRO 104 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1xke h GLU 105 N 0.00 -0.32 -0.05 -0.52 4.81 -1.96 0.55 114.58 117.10 1xke h GLU 105 Ca 0.00 0.02 -0.23 0.00 -0.13 0.00 0.00 59.36 59.02 1xke h GLU 105 Cb 0.02 0.07 0.01 0.00 0.63 0.00 0.00 28.75 29.48 1xke h GLU 105 CO 0.00 0.05 -0.90 -0.07 -0.73 0.00 0.00 179.01 177.36 1xke h LEU 106 N -0.84 0.72 -0.14 1.64 4.07 -1.67 -0.33 115.31 118.75 1xke h LEU 106 Ca -0.03 -0.53 -0.11 0.00 0.08 0.00 0.00 57.88 57.28 1xke h LEU 106 Cb 0.51 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 42.04 1xke h LEU 106 CO 0.06 1.32 -0.34 0.00 -1.08 0.00 0.00 178.44 178.40 1xke h ALA 107 N 0.64 0.23 0.00 1.53 0.00 -0.80 -2.54 119.26 118.33 1xke h ALA 107 Ca -0.08 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 1xke h ALA 107 Cb 1.53 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.28 1xke h ALA 107 CO 0.17 0.29 -0.00 1.49 0.00 0.00 0.00 179.25 181.19 1xke h GLU 108 N 0.09 -0.01 -0.56 0.00 4.57 0.27 -2.59 114.58 116.35 1xke h GLU 108 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1xke h GLU 108 Cb 0.95 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.51 1xke h GLU 108 CO 0.07 0.59 0.37 0.93 -1.18 0.00 0.00 179.01 179.79 1xke h GLU 109 N -0.61 0.73 -0.43 1.92 4.39 -1.18 -1.92 114.58 117.48 1xke h GLU 109 Ca -0.00 -0.05 -0.11 0.00 0.34 0.00 0.00 59.36 59.55 1xke h GLU 109 Cb 0.60 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.07 1xke h GLU 109 CO 0.00 0.49 -0.15 0.35 -1.16 0.00 0.00 179.01 178.54 1xke h PHE 110 N 0.75 0.98 -0.40 4.33 3.57 -1.53 -1.59 116.94 123.06 1xke h PHE 110 Ca 0.20 -0.22 -0.15 0.00 3.53 0.00 0.00 57.97 61.33 1xke h PHE 110 Cb -0.08 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.41 1xke h PHE 110 CO -0.04 0.99 -0.33 0.87 -2.23 0.00 0.00 178.31 177.57 1xke h LYS 111 N 0.69 0.91 -0.21 1.11 6.56 -1.12 0.50 116.57 125.02 1xke h LYS 111 Ca 0.10 -0.45 0.00 0.00 -1.06 0.00 0.00 60.65 59.25 1xke h LYS 111 Cb 0.70 -0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.34 1xke h LYS 111 CO 0.05 1.10 0.13 1.96 -2.06 0.00 0.00 179.45 180.64 1xke h GLN 112 N 0.76 0.27 -0.31 3.15 4.20 -1.34 -2.07 115.11 119.77 1xke h GLN 112 Ca 0.07 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.74 1xke h GLN 112 Cb 0.91 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.62 1xke h GLN 112 CO 0.08 0.18 0.07 -0.22 -0.67 0.00 0.00 178.83 178.27 1xke h LYS 113 N 0.27 0.45 0.31 1.46 1.63 -0.98 -1.98 116.57 117.74 1xke h LYS 113 Ca 0.08 -0.07 -0.02 0.00 -0.85 0.00 0.00 60.65 59.79 1xke h LYS 113 Cb -0.03 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 31.53 1xke h LYS 113 CO -0.02 0.43 -0.15 0.35 -3.45 0.00 0.00 179.45 176.60 1xke h PHE 114 N 0.44 -0.39 -0.08 1.91 3.04 0.65 0.28 116.94 122.79 1xke h PHE 114 Ca 0.11 -0.01 -0.09 0.00 3.98 0.00 0.00 57.97 61.95 1xke h PHE 114 Cb 0.19 0.13 -0.01 0.00 2.56 0.00 0.00 35.95 38.82 1xke h PHE 114 CO 0.01 -0.09 -0.38 1.05 -2.02 0.00 0.00 178.31 176.87 1xke h GLU 115 N -0.68 0.17 -0.02 1.11 4.11 -1.33 0.50 114.58 118.44 1xke h GLU 115 Ca -0.04 -0.07 -0.00 0.00 0.07 0.00 0.00 59.36 59.31 1xke h GLU 115 Cb 0.48 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 1xke h GLU 115 CO 0.07 0.53 0.01 1.49 0.07 0.00 0.00 179.01 181.19 1xke h GLU 116 N 0.15 0.03 -0.37 1.06 4.57 -1.09 -1.74 114.58 117.19 1xke h GLU 116 Ca 0.02 -0.00 0.03 0.00 -1.18 0.00 0.00 59.36 58.22 1xke h GLU 116 Cb 0.74 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.31 1xke h GLU 116 CO 0.06 0.12 0.25 0.00 -1.18 0.00 0.00 179.01 178.25 1xke h GLN 118 N 0.39 0.07 -0.01 0.00 4.20 0.01 0.41 115.11 120.19 1xke h GLN 118 Ca 0.15 -0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.84 1xke h GLN 118 Cb 0.11 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.87 1xke h GLN 118 CO -0.03 0.05 -0.06 0.00 -0.67 0.00 0.00 178.83 178.12 1xke h ARG 119 N 0.08 0.05 0.00 1.46 -0.00 -1.01 -3.29 114.38 111.67 1xke h ARG 119 Ca 0.13 -0.05 -0.08 0.00 -0.50 0.00 0.00 59.98 59.48 1xke h ARG 119 Cb 0.18 0.01 0.01 0.00 0.00 0.00 0.00 29.97 30.16 1xke h ARG 119 CO -0.23 0.75 -0.33 -0.07 0.00 0.00 0.00 179.97 180.09 1xke h LEU 120 N -0.62 0.29 -2.66 3.04 4.07 -0.01 -3.37 115.31 116.05 1xke h LEU 120 Ca -0.01 -0.78 -0.00 0.00 0.08 0.00 0.00 57.88 57.18 1xke h LEU 120 Cb 0.76 -0.09 -0.00 0.00 1.08 0.00 0.00 40.66 42.41 1xke h LEU 120 CO 0.01 1.03 -0.01 0.25 -1.08 0.00 0.00 178.44 178.64 1xke h LEU 121 N -0.42 0.00 -0.49 1.67 5.85 -0.37 0.30 115.31 121.86 1xke h LEU 121 Ca -0.04 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.60 1xke h LEU 121 Cb 1.08 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.09 1xke h LEU 121 CO 0.07 0.01 0.01 -0.07 -0.34 0.00 0.00 178.44 178.12 1xke h LEU 122 N 0.00 0.84 0.00 2.25 4.07 -1.72 -3.37 115.31 117.38 1xke h LEU 122 Ca -0.00 -0.30 -0.23 0.00 0.08 0.00 0.00 57.88 57.43 1xke h LEU 122 Cb 0.05 -0.23 -0.04 0.00 1.08 0.00 0.00 40.66 41.52 1xke h LEU 122 CO 0.00 0.94 -1.88 -0.67 -1.08 0.00 0.00 178.44 175.75 1xke n ASP 123 N -4.34 2.03 -4.77 -0.43 2.03 0.98 -5.00 116.55 107.05 1xke n ASP 123 Ca 0.01 -0.02 -0.38 0.00 0.52 0.00 0.00 54.79 54.92 1xke n ASP 123 Cb 0.31 0.63 -0.03 0.00 -0.72 0.00 0.00 41.12 41.30 1xke n ASP 123 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1xke s ILE 124 N -2.31 3.40 0.58 5.18 -5.25 -0.67 -5.02 121.20 117.11 1xke s ILE 124 Ca -0.09 1.18 -0.18 0.00 -0.99 0.00 0.00 60.65 60.57 1xke s ILE 124 Cb 0.04 -3.66 -0.04 0.00 2.95 0.00 0.00 42.46 41.75 1xke s ILE 124 CO 0.49 0.11 1.12 -2.84 -1.79 0.00 0.00 174.94 172.04 1xke s PRO 125 N -2.20 3.19 -0.17 0.37 0.02 -1.26 -4.92 135.00 130.03 1xke s PRO 125 Ca 0.55 1.53 -0.29 0.00 0.02 0.00 0.00 61.00 62.81 1xke s PRO 125 Cb -0.28 -1.99 -0.01 0.00 0.02 0.00 0.00 34.50 32.24 1xke s PRO 125 CO 0.35 -0.96 1.11 -0.51 -0.33 0.00 0.00 177.00 176.67 1xke s LEU 126 N -4.14 4.17 -0.09 -5.54 1.43 -1.26 -4.95 118.68 108.30 1xke s LEU 126 Ca 0.71 1.55 -0.29 0.00 -1.03 0.00 0.00 54.13 55.06 1xke s LEU 126 Cb -0.22 -3.54 -0.05 0.00 0.03 0.00 0.00 46.19 42.40 1xke s LEU 126 CO 0.31 -0.64 1.77 0.00 0.23 0.00 0.00 176.35 178.03 1xke s GLN 127 N 2.92 3.96 -0.12 1.70 0.00 -1.26 -4.99 119.66 121.88 1xke s GLN 127 Ca 0.49 2.13 0.03 0.00 -0.00 0.00 0.00 55.36 58.01 1xke s GLN 127 Cb -0.19 -4.08 0.01 0.00 0.00 0.00 0.00 33.01 28.75 1xke s GLN 127 CO 0.13 -1.12 -0.21 0.99 0.00 0.00 0.00 175.29 175.08 1xke s THR 128 N 4.88 1.93 0.10 3.63 2.01 -1.26 -5.10 115.64 121.82 1xke s THR 128 Ca 0.79 -0.92 -0.31 0.00 0.31 0.00 0.00 61.69 61.56 1xke s THR 128 Cb -0.33 -1.70 -0.07 0.00 0.01 0.00 0.00 72.50 70.41 1xke s THR 128 CO 0.33 0.53 1.34 -2.16 -0.69 0.00 0.00 174.62 173.96 1xke s PRO 129 N 0.69 4.35 0.00 4.92 0.04 -1.26 -5.29 135.00 138.45 1xke s PRO 129 Ca -0.11 1.99 0.00 0.00 0.04 0.00 0.00 61.00 62.93 1xke s PRO 129 Cb -0.16 -3.28 0.00 0.00 0.04 0.00 0.00 34.50 31.10 1xke s PRO 129 CO 0.02 -0.39 0.00 1.17 0.04 0.00 0.00 177.00 177.83