#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xke n SER 2 N 0.00 -7.17 -1.62 1.61 7.64 -1.26 -4.97 113.62 107.84 1xke n SER 2 Ca 0.00 0.50 -0.16 0.00 1.01 0.00 0.00 58.87 60.22 1xke n SER 2 Cb 0.00 -4.81 0.08 0.00 -1.01 0.00 0.00 64.21 58.47 1xke n SER 2 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xke n GLY 3 N -0.29 5.99 2.65 0.23 0.00 -1.26 -4.95 105.19 107.56 1xke n GLY 3 Ca 0.10 -2.23 -0.05 0.00 0.00 0.00 0.00 46.02 43.84 1xke n GLY 3 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1xke n GLU 4 N -0.85 -2.38 -3.74 1.61 2.13 -1.26 -5.06 120.64 111.09 1xke n GLU 4 Ca 0.38 2.10 -0.12 0.00 0.66 0.00 0.00 57.16 60.17 1xke n GLU 4 Cb 0.89 -5.09 -0.11 0.00 0.27 0.00 0.00 31.44 27.40 1xke n GLU 4 CO 0.00 0.00 0.00 -1.83 -0.41 0.00 0.00 177.13 174.89 1xke s GLU 5 N -2.14 0.38 0.00 5.31 1.03 -1.26 -4.92 118.70 117.10 1xke s GLU 5 Ca 0.16 0.53 0.00 0.00 0.03 0.00 0.00 54.97 55.69 1xke s GLU 5 Cb -0.04 0.13 0.00 0.00 -0.80 0.00 0.00 34.13 33.41 1xke s GLU 5 CO 0.68 -0.08 0.00 -3.47 -1.33 0.00 0.00 175.26 171.06 1xke n ASP 6 N 3.26 0.00 -4.88 0.83 -0.08 -1.26 -5.03 116.55 109.39 1xke n ASP 6 Ca -0.16 0.00 -0.37 0.00 -1.51 0.00 0.00 54.79 52.75 1xke n ASP 6 Cb 0.57 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.97 1xke n ASP 6 CO 0.00 0.00 0.00 -1.83 0.12 0.00 0.00 177.20 175.49 1xke s GLU 7 N 0.00 3.48 0.24 -0.67 1.03 -1.26 -0.53 118.70 121.00 1xke s GLU 7 Ca 0.00 -0.10 0.10 0.00 0.03 0.00 0.00 54.97 55.01 1xke s GLU 7 Cb 0.00 -3.18 -0.05 0.00 -0.80 0.00 0.00 34.13 30.10 1xke s GLU 7 CO 0.00 0.76 -0.12 -1.59 -1.33 0.00 0.00 175.26 172.98 1xke s LYS 8 N -1.13 1.95 -0.26 -4.83 -2.85 0.78 -4.75 119.74 108.64 1xke s LYS 8 Ca 0.17 -1.51 -0.22 0.00 -1.00 0.00 0.00 55.97 53.41 1xke s LYS 8 Cb -0.12 -1.99 -0.01 0.00 -2.06 0.00 0.00 37.83 33.64 1xke s LYS 8 CO 0.06 0.37 0.72 0.08 0.10 0.00 0.00 175.35 176.69 1xke s VAL 9 N -2.16 4.91 -0.15 1.79 1.01 -1.25 -0.51 120.40 124.03 1xke s VAL 9 Ca 0.28 1.28 -0.18 0.00 0.00 0.00 0.00 61.98 63.36 1xke s VAL 9 Cb -0.07 -4.03 -0.16 0.00 0.00 0.00 0.00 36.38 32.13 1xke s VAL 9 CO 0.16 -0.05 0.31 -0.07 0.00 0.00 0.00 175.10 175.45 1xke h LEU 10 N 9.09 0.00 -7.04 3.92 3.38 -1.66 -3.49 115.31 119.51 1xke h LEU 10 Ca -0.25 -0.51 -0.06 0.00 0.09 0.00 0.00 57.88 57.14 1xke h LEU 10 Cb 1.11 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.67 1xke h LEU 10 CO 0.82 1.03 0.15 -0.72 0.09 0.00 0.00 178.44 179.81 1xke s TYR 11 N -2.15 -0.62 -0.10 1.13 1.13 -1.26 -5.02 117.35 110.47 1xke s TYR 11 Ca -0.18 1.04 0.00 0.00 -1.41 0.00 0.00 57.07 56.52 1xke s TYR 11 Cb 0.01 0.39 0.02 0.00 -1.10 0.00 0.00 41.96 41.28 1xke s TYR 11 CO 0.46 -0.60 -0.09 -1.54 -2.51 0.00 0.00 175.55 171.27 1xke s SER 12 N -1.24 2.01 0.08 -0.18 1.04 -1.25 -1.38 113.70 112.78 1xke s SER 12 Ca -0.11 -0.30 -0.12 0.00 0.48 0.00 0.00 55.95 55.90 1xke s SER 12 Cb -0.00 -0.83 0.01 0.00 0.10 0.00 0.00 66.02 65.30 1xke s SER 12 CO 0.09 -0.07 0.28 0.00 0.98 0.00 0.00 173.24 174.52 1xke s GLN 13 N 1.34 0.87 -0.16 4.02 1.03 0.11 -4.90 119.66 121.97 1xke s GLN 13 Ca -0.02 -0.72 -0.29 0.00 0.04 0.00 0.00 55.36 54.37 1xke s GLN 13 Cb -0.14 0.37 -0.01 0.00 0.03 0.00 0.00 33.01 33.27 1xke s GLN 13 CO -0.04 -0.29 1.09 1.03 -2.54 0.00 0.00 175.29 174.53 1xke s ARG 14 N -3.30 4.32 0.32 9.60 0.52 -1.26 0.89 118.95 130.04 1xke s ARG 14 Ca 0.00 1.46 0.03 0.00 -0.52 0.00 0.00 55.73 56.70 1xke s ARG 14 Cb 0.02 -3.62 -0.04 0.00 0.52 0.00 0.00 34.95 31.83 1xke s ARG 14 CO -0.08 -0.52 0.11 0.54 0.02 0.00 0.00 175.30 175.37 1xke s VAL 15 N 2.75 0.63 -0.07 3.52 0.11 0.13 -4.77 120.40 122.71 1xke s VAL 15 Ca 0.49 -2.00 0.04 0.00 -2.93 0.00 0.00 61.98 57.58 1xke s VAL 15 Cb -0.18 -2.57 -0.00 0.00 -1.53 0.00 0.00 36.38 32.09 1xke s VAL 15 CO 0.13 0.00 -0.19 -0.54 -3.33 0.00 0.00 175.10 171.17 1xke s LYS 16 N -3.87 2.24 0.02 1.54 1.02 -0.65 -0.10 119.74 119.94 1xke s LYS 16 Ca 0.34 -0.69 0.00 0.00 0.02 0.00 0.00 55.97 55.64 1xke s LYS 16 Cb 0.06 -1.83 -0.04 0.00 -0.52 0.00 0.00 37.83 35.50 1xke s LYS 16 CO 0.15 0.21 0.10 -1.17 -0.92 0.00 0.00 175.35 173.72 1xke s LEU 17 N 0.21 3.95 -0.01 3.17 2.96 -0.27 -2.20 118.68 126.48 1xke s LEU 17 Ca -0.10 0.13 0.03 0.00 -0.22 0.00 0.00 54.13 53.97 1xke s LEU 17 Cb -0.15 -2.42 -0.01 0.00 0.50 0.00 0.00 46.19 44.12 1xke s LEU 17 CO 0.05 0.24 -0.10 -0.36 -1.32 0.00 0.00 176.35 174.85 1xke s PHE 18 N -1.28 0.92 0.11 5.38 0.40 0.78 0.11 117.98 124.39 1xke s PHE 18 Ca 0.26 -0.18 0.10 0.00 -0.60 0.00 0.00 56.93 56.51 1xke s PHE 18 Cb -0.12 -0.60 -0.04 0.00 0.51 0.00 0.00 43.02 42.77 1xke s PHE 18 CO 0.18 -0.02 -0.22 0.50 0.70 0.00 0.00 175.22 176.35 1xke s ARG 19 N -0.21 1.67 -0.33 0.44 3.52 0.18 -1.66 118.95 122.55 1xke s ARG 19 Ca 0.03 -1.22 -0.17 0.00 -0.13 0.00 0.00 55.73 54.24 1xke s ARG 19 Cb -0.04 -2.03 -0.01 0.00 -1.56 0.00 0.00 34.95 31.31 1xke s ARG 19 CO -0.00 0.48 0.48 0.12 -0.81 0.00 0.00 175.30 175.57 1xke s PHE 20 N -1.06 3.20 -0.47 5.12 5.36 -1.20 0.14 117.98 129.07 1xke s PHE 20 Ca 0.15 0.21 -0.21 0.00 -0.96 0.00 0.00 56.93 56.13 1xke s PHE 20 Cb -0.10 -2.84 0.03 0.00 -0.34 0.00 0.00 43.02 39.77 1xke s PHE 20 CO 0.07 -0.48 0.68 0.34 -1.46 0.00 0.00 175.22 174.38 1xke s ASP 21 N 1.73 6.31 0.38 6.13 -1.08 0.21 -4.86 116.67 125.49 1xke s ASP 21 Ca 0.18 -0.45 0.15 0.00 -0.52 0.00 0.00 52.55 51.91 1xke s ASP 21 Cb -0.16 -2.33 0.77 0.00 -1.46 0.00 0.00 42.92 39.74 1xke s ASP 21 CO 0.12 -0.87 1.83 0.00 0.52 0.00 0.00 175.17 176.78 1xke h ALA 22 N 8.96 1.32 0.00 3.66 0.00 -1.91 0.88 119.26 132.16 1xke h ALA 22 Ca -0.26 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.25 1xke h ALA 22 Cb 1.09 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1xke h ALA 22 CO 0.94 0.45 -0.33 0.93 0.00 0.00 0.00 179.25 181.24 1xke h GLU 23 N 0.00 0.00 0.00 0.00 4.39 -1.94 -2.57 114.58 114.46 1xke h GLU 23 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1xke h GLU 23 Cb 0.67 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.32 1xke h GLU 23 CO 0.05 0.33 -0.84 0.28 -1.16 0.00 0.00 179.01 177.67 1xke n VAL 24 N -3.28 0.01 -2.99 3.13 0.31 -0.71 -4.91 118.33 109.90 1xke n VAL 24 Ca 0.02 -0.02 -0.19 0.00 -0.01 0.00 0.00 64.34 64.13 1xke n VAL 24 Cb 0.59 0.66 -0.00 0.00 -0.91 0.00 0.00 33.84 34.18 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 -1.54 -3.99 -4.06 4.52 7.64 0.25 -4.95 113.62 111.49 1xke n SER 25 Ca 0.04 -0.16 -0.10 0.00 1.01 0.00 0.00 58.87 59.67 1xke n SER 25 Cb 0.34 -3.32 -0.11 0.00 -1.01 0.00 0.00 64.21 60.11 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 -5.61 0.52 -0.25 1.43 0.74 0.17 -4.90 119.66 111.76 1xke s GLN 26 Ca 0.24 -0.92 -0.29 0.00 0.05 0.00 0.00 55.36 54.44 1xke s GLN 26 Cb -0.12 0.00 0.00 0.00 1.10 0.00 0.00 33.01 33.99 1xke s GLN 26 CO 0.30 -0.04 1.19 1.67 -0.55 0.00 0.00 175.29 177.86 1xke s TRP 27 N -2.44 2.95 -0.01 1.67 -2.14 -1.26 0.65 118.94 118.37 1xke s TRP 27 Ca -0.04 1.09 0.05 0.00 2.66 0.00 0.00 56.10 59.86 1xke s TRP 27 Cb -0.03 -3.61 -0.01 0.00 -3.10 0.00 0.00 33.47 26.72 1xke s TRP 27 CO -0.04 -1.29 -0.16 0.21 -2.66 0.00 0.00 176.95 173.01 1xke s LYS 28 N 3.66 1.33 0.35 3.25 2.47 0.12 -4.92 119.74 125.99 1xke s LYS 28 Ca 0.51 -0.59 -0.28 0.00 -1.56 0.00 0.00 55.97 54.05 1xke s LYS 28 Cb -0.17 -1.28 -0.10 0.00 -1.46 0.00 0.00 37.83 34.81 1xke s LYS 28 CO 0.15 0.35 1.32 -1.83 0.16 0.00 0.00 175.35 175.50 1xke s GLU 29 N -0.40 4.28 -0.02 4.03 1.03 -1.26 0.49 118.70 126.84 1xke s GLU 29 Ca 0.06 2.23 0.12 0.00 0.03 0.00 0.00 54.97 57.41 1xke s GLU 29 Cb -0.06 -3.01 -0.23 0.00 -0.80 0.00 0.00 34.13 30.02 1xke s GLU 29 CO -0.01 -0.26 0.76 0.00 -1.33 0.00 0.00 175.26 174.42 1xke h ARG 30 N 3.24 0.00 0.00 -4.83 3.08 0.46 -3.44 114.38 112.90 1xke h ARG 30 Ca -0.49 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.56 1xke h ARG 30 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.28 1xke h ARG 30 CO 0.65 0.57 0.00 0.41 -1.07 0.00 0.00 179.97 180.53 1xke n GLY 31 N 1.52 -0.67 2.97 0.04 0.00 -1.15 -4.98 105.19 102.93 1xke n GLY 31 Ca -0.14 -0.92 -0.11 0.00 0.00 0.00 0.00 46.02 44.85 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 1.95 0.00 0.99 1.43 -1.26 -1.12 118.68 120.67 1xke s LEU 32 Ca 0.00 -0.19 0.00 0.00 -1.03 0.00 0.00 54.13 52.91 1xke s LEU 32 Cb 0.00 0.21 0.00 0.00 0.03 0.00 0.00 46.19 46.43 1xke s LEU 32 CO 0.00 -0.18 0.00 0.61 0.23 0.00 0.00 176.35 177.01 1xke n GLY 33 N 2.23 -0.68 3.35 -3.19 0.00 0.85 -2.30 105.19 105.44 1xke n GLY 33 Ca -0.19 -0.48 -0.34 0.00 0.00 0.00 0.00 46.02 45.01 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 -4.00 4.17 -0.26 1.61 2.47 -0.87 0.23 114.94 118.28 1xke s ASN 34 Ca 0.00 -0.35 -0.17 0.00 0.42 0.00 0.00 52.86 52.76 1xke s ASN 34 Cb 0.00 -1.68 -0.03 0.00 -1.45 0.00 0.00 41.25 38.09 1xke s ASN 34 CO 0.00 0.08 0.47 -0.22 -3.72 0.00 0.00 177.10 173.71 1xke s LEU 35 N 0.87 4.05 0.12 3.21 0.20 0.26 -2.31 118.68 125.07 1xke s LEU 35 Ca -0.02 0.45 0.09 0.00 0.69 0.00 0.00 54.13 55.34 1xke s LEU 35 Cb -0.15 -2.59 -0.04 0.00 -0.43 0.00 0.00 46.19 42.99 1xke s LEU 35 CO 0.01 -0.25 -0.20 -1.59 -0.29 0.00 0.00 176.35 174.03 1xke s LYS 36 N 2.19 1.71 -0.21 1.98 -2.85 0.10 0.05 119.74 122.72 1xke s LYS 36 Ca 0.19 -1.21 -0.04 0.00 -1.00 0.00 0.00 55.97 53.91 1xke s LYS 36 Cb -0.16 -2.07 -0.02 0.00 -2.06 0.00 0.00 37.83 33.53 1xke s LYS 36 CO 0.09 0.48 -0.03 0.42 0.10 0.00 0.00 175.35 176.41 1xke s ILE 37 N -1.12 3.63 -0.12 3.79 -1.09 -0.48 -1.02 121.20 124.79 1xke s ILE 37 Ca 0.17 -0.42 -0.01 0.00 -2.23 0.00 0.00 60.65 58.16 1xke s ILE 37 Cb -0.10 -2.64 -0.03 0.00 -1.58 0.00 0.00 42.46 38.11 1xke s ILE 37 CO 0.09 0.43 -0.06 -0.76 -1.23 0.00 0.00 174.94 173.41 1xke s LEU 38 N 1.19 3.13 -0.05 2.97 1.43 -0.69 -1.52 118.68 125.14 1xke s LEU 38 Ca 0.03 -0.13 0.03 0.00 -1.03 0.00 0.00 54.13 53.03 1xke s LEU 38 Cb -0.14 -1.72 0.00 0.00 0.03 0.00 0.00 46.19 44.36 1xke s LEU 38 CO -0.00 0.24 -0.14 -1.59 0.23 0.00 0.00 176.35 175.08 1xke s LYS 39 N -0.05 1.64 0.53 1.70 0.00 0.33 -0.39 119.74 123.50 1xke s LYS 39 Ca 0.00 -0.50 -0.22 0.00 0.00 0.00 0.00 55.97 55.26 1xke s LYS 39 Cb -0.13 -1.41 -0.05 0.00 0.00 0.00 0.00 37.83 36.24 1xke s LYS 39 CO 0.03 0.15 1.31 -0.80 0.00 0.00 0.00 175.35 176.03 1xke s ASN 40 N 0.28 5.48 0.43 0.03 -0.87 -0.29 -0.16 114.94 119.85 1xke s ASN 40 Ca -0.08 2.64 0.15 0.00 -1.57 0.00 0.00 52.86 54.01 1xke s ASN 40 Cb -0.13 -2.63 0.97 0.00 -0.02 0.00 0.00 41.25 39.45 1xke s ASN 40 CO 0.03 -1.41 1.95 -0.08 -2.57 0.00 0.00 177.10 175.02 1xke h GLU 41 N 1.58 0.00 0.00 -0.60 4.22 -1.15 0.23 114.58 118.87 1xke h GLU 41 Ca -0.50 0.00 -0.06 0.00 0.08 0.00 0.00 59.36 58.87 1xke h GLU 41 Cb 1.29 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 1xke h GLU 41 CO 0.58 0.23 -0.29 0.28 -2.18 0.00 0.00 179.01 177.62 1xke h VAL 42 N 0.00 0.59 -4.79 0.32 2.07 -1.90 -3.47 116.25 109.06 1xke h VAL 42 Ca -0.00 -1.48 -0.40 0.00 0.82 0.00 0.00 66.70 65.63 1xke h VAL 42 Cb 0.42 2.02 0.04 0.00 -1.52 0.00 0.00 31.29 32.25 1xke h VAL 42 CO 0.03 0.29 -0.61 -3.20 0.02 0.00 0.00 177.57 174.10 1xke n ASN 43 N -3.29 -5.68 -0.12 0.57 5.15 0.82 -4.91 115.26 107.81 1xke n ASN 43 Ca 0.01 -0.33 -0.25 0.00 -0.60 0.00 0.00 54.58 53.41 1xke n ASN 43 Cb 0.55 -4.59 -0.11 0.00 -0.53 0.00 0.00 39.78 35.10 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 -1.50 -0.67 3.60 8.20 0.00 -1.26 -4.87 105.19 108.68 1xke n GLY 44 Ca -0.08 -0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.43 3.90 0.17 1.61 1.02 -1.26 -5.02 119.74 117.73 1xke s LYS 45 Ca -0.33 -0.39 0.10 0.00 0.02 0.00 0.00 55.97 55.38 1xke s LYS 45 Cb 0.10 -3.15 -0.04 0.00 -0.52 0.00 0.00 37.83 34.21 1xke s LYS 45 CO 0.54 0.25 -0.19 -0.51 -0.92 0.00 0.00 175.35 174.52 1xke s LEU 46 N 0.41 2.63 0.00 3.17 2.01 -1.26 -1.13 118.68 124.51 1xke s LEU 46 Ca 0.02 -0.72 -0.15 0.00 0.01 0.00 0.00 54.13 53.29 1xke s LEU 46 Cb -0.13 -1.38 0.02 0.00 0.01 0.00 0.00 46.19 44.71 1xke s LEU 46 CO 0.01 0.13 0.31 0.00 1.01 0.00 0.00 176.35 177.81 1xke s ARG 47 N -2.59 0.71 -0.20 1.70 3.03 0.47 -3.49 118.95 118.58 1xke s ARG 47 Ca 0.21 -0.29 -0.01 0.00 2.03 0.00 0.00 55.73 57.67 1xke s ARG 47 Cb -0.09 0.31 0.01 0.00 -1.03 0.00 0.00 34.95 34.16 1xke s ARG 47 CO 0.11 -0.21 -0.12 -1.64 -1.13 0.00 0.00 175.30 172.31 1xke s MET 48 N -1.70 3.12 0.10 3.89 -1.94 0.25 -1.70 119.30 121.32 1xke s MET 48 Ca -0.11 -0.77 0.06 0.00 -1.71 0.00 0.00 55.69 53.16 1xke s MET 48 Cb -0.04 -2.79 -0.03 0.00 2.01 0.00 0.00 34.83 33.98 1xke s MET 48 CO 0.02 -0.23 -0.15 -0.48 -0.01 0.00 0.00 175.02 174.18 1xke s LEU 49 N 1.37 2.34 -0.08 -0.03 2.34 -0.19 -0.52 118.68 123.90 1xke s LEU 49 Ca 0.05 -0.71 -0.05 0.00 0.06 0.00 0.00 54.13 53.47 1xke s LEU 49 Cb -0.14 -0.56 0.03 0.00 -0.56 0.00 0.00 46.19 44.97 1xke s LEU 49 CO -0.08 -0.10 0.21 0.00 -1.06 0.00 0.00 176.35 175.31 1xke s MET 50 N -2.19 0.19 0.04 1.48 0.23 -1.17 0.00 119.30 117.88 1xke s MET 50 Ca 0.04 0.39 0.01 0.00 -1.03 0.00 0.00 55.69 55.10 1xke s MET 50 Cb -0.08 -0.04 -0.04 0.00 -1.53 0.00 0.00 34.83 33.15 1xke s MET 50 CO 0.03 -0.11 0.10 0.50 -2.03 0.00 0.00 175.02 173.51 1xke s ARG 51 N 0.76 3.06 -0.21 3.16 3.52 -0.98 -2.82 118.95 125.44 1xke s ARG 51 Ca -0.05 -0.56 -0.21 0.00 -0.13 0.00 0.00 55.73 54.78 1xke s ARG 51 Cb -0.07 -2.84 -0.02 0.00 -1.56 0.00 0.00 34.95 30.46 1xke s ARG 51 CO -0.04 0.61 0.65 1.03 -0.81 0.00 0.00 175.30 176.74 1xke s ARG 52 N -2.13 4.19 0.03 5.12 0.52 -0.97 -2.05 118.95 123.66 1xke s ARG 52 Ca 0.28 0.65 -0.29 0.00 -0.52 0.00 0.00 55.73 55.85 1xke s ARG 52 Cb -0.12 -3.60 -0.17 0.00 0.52 0.00 0.00 34.95 31.58 1xke s ARG 52 CO 0.20 -0.30 1.31 0.93 0.02 0.00 0.00 175.30 177.46 1xke h GLU 53 N 7.57 -0.79 -0.00 3.54 4.39 -1.79 0.43 114.58 127.93 1xke h GLU 53 Ca -0.30 0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.46 1xke h GLU 53 Cb 1.13 0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.96 1xke h GLU 53 CO 0.78 -0.48 -0.09 1.04 -1.16 0.00 0.00 179.01 179.10 1xke n GLN 54 N -5.37 0.25 0.00 2.33 3.00 -1.26 -2.63 117.38 113.69 1xke n GLN 54 Ca -0.12 -0.05 0.13 0.00 -0.01 0.00 0.00 57.00 56.95 1xke n GLN 54 Cb 0.35 -1.50 0.31 0.00 0.00 0.00 0.00 30.24 29.40 1xke n GLN 54 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1xke n VAL 55 N -1.33 0.00 -0.56 5.09 0.31 -0.87 -4.94 118.33 116.02 1xke n VAL 55 Ca 0.10 -0.15 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 1xke n VAL 55 Cb 0.30 0.55 0.00 0.00 -0.91 0.00 0.00 33.84 33.78 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 -0.57 0.56 -3.90 7.52 7.94 0.15 -4.88 117.00 123.82 1xke n LEU 56 Ca 0.11 0.00 -0.30 0.00 -1.11 0.00 0.00 56.01 54.71 1xke n LEU 56 Cb 0.37 -1.62 -0.15 0.00 0.53 0.00 0.00 43.42 42.54 1xke n LEU 56 CO 0.27 -0.56 -0.38 -0.75 -1.11 0.00 0.00 177.39 174.86 1xke s LYS 57 N -1.12 1.32 0.28 1.96 2.20 -1.10 -4.86 119.74 118.40 1xke s LYS 57 Ca 0.00 -1.19 -0.29 0.00 -0.36 0.00 0.00 55.97 54.13 1xke s LYS 57 Cb 0.00 -2.55 -0.14 0.00 -1.51 0.00 0.00 37.83 33.63 1xke s LYS 57 CO 0.00 -0.78 1.16 1.55 -0.36 0.00 0.00 175.35 176.92 1xke n VAL 58 N 4.64 1.68 -0.36 4.02 3.14 -1.26 -2.28 118.33 127.91 1xke n VAL 58 Ca -0.06 -0.42 0.00 0.00 -2.96 0.00 0.00 64.34 60.90 1xke n VAL 58 Cb 0.43 -1.18 0.00 0.00 -1.06 0.00 0.00 33.84 32.03 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 -0.06 2.46 -0.37 0.00 0.00 -1.25 -1.30 121.76 121.25 1xke s ALA 60 Ca 0.00 -1.16 0.03 0.00 0.00 0.00 0.00 51.96 50.83 1xke s ALA 60 Cb 0.00 -1.28 0.11 0.00 0.00 0.00 0.00 23.12 21.94 1xke s ALA 60 CO 0.00 -0.26 0.11 1.21 0.00 0.00 0.00 175.76 176.82 1xke s ASN 61 N 1.17 4.42 -0.24 0.00 2.47 -1.26 -3.07 114.94 118.43 1xke s ASN 61 Ca 0.02 -2.21 -0.10 0.00 0.42 0.00 0.00 52.86 50.99 1xke s ASN 61 Cb -0.14 -1.39 -0.05 0.00 -1.45 0.00 0.00 41.25 38.22 1xke s ASN 61 CO -0.07 -0.36 0.15 -1.00 -3.72 0.00 0.00 177.10 172.10 1xke s HIS 62 N 0.84 3.29 0.15 0.43 3.76 0.32 -3.49 115.29 120.59 1xke s HIS 62 Ca 0.12 0.16 -0.25 0.00 -0.15 0.00 0.00 55.06 54.94 1xke s HIS 62 Cb -0.20 -2.26 -0.08 0.00 1.11 0.00 0.00 32.58 31.15 1xke s HIS 62 CO -0.10 0.03 0.75 -1.58 -0.85 0.00 0.00 174.74 172.99 1xke s TRP 63 N 1.08 3.89 -0.42 1.40 0.51 -1.26 0.87 118.94 125.01 1xke s TRP 63 Ca 0.07 1.59 -0.16 0.00 -2.12 0.00 0.00 56.10 55.48 1xke s TRP 63 Cb -0.14 -2.74 0.02 0.00 -0.81 0.00 0.00 33.47 29.80 1xke s TRP 63 CO 0.05 0.51 0.37 -1.50 -0.51 0.00 0.00 176.95 175.86 1xke s ILE 64 N -1.08 5.18 0.08 2.03 -1.16 -1.23 -4.89 121.20 120.14 1xke s ILE 64 Ca 0.35 -0.54 -0.05 0.00 -0.51 0.00 0.00 60.65 59.90 1xke s ILE 64 Cb -0.23 -3.99 -0.02 0.00 0.61 0.00 0.00 42.46 38.83 1xke s ILE 64 CO 0.25 -0.38 0.10 0.28 -2.81 0.00 0.00 174.94 172.38 1xke s THR 65 N 1.89 0.16 -1.54 4.00 -1.32 -1.26 -4.78 115.64 112.80 1xke s THR 65 Ca 0.08 -1.51 0.25 0.00 -1.21 0.00 0.00 61.69 59.31 1xke s THR 65 Cb -0.18 -1.51 0.50 0.00 -1.51 0.00 0.00 72.50 69.80 1xke s THR 65 CO 0.11 -0.74 1.86 0.35 -2.21 0.00 0.00 174.62 173.99 1xke n THR 66 N -0.01 0.16 1.72 5.08 -2.24 -1.26 -2.71 114.28 115.01 1xke n THR 66 Ca -0.13 0.04 0.09 0.00 -2.27 0.00 0.00 64.05 61.77 1xke n THR 66 Cb 0.62 -0.62 0.43 0.00 -2.10 0.00 0.00 70.33 68.66 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 -1.23 0.08 -4.07 4.28 -1.04 -1.26 -4.74 114.28 106.30 1xke n THR 67 Ca 0.13 -0.13 -0.10 0.00 -2.04 0.00 0.00 64.05 61.92 1xke n THR 67 Cb 0.18 -0.04 -0.09 0.00 -1.82 0.00 0.00 70.33 68.56 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 -1.92 1.01 0.01 -2.82 0.00 -1.10 -5.11 119.30 109.37 1xke s MET 68 Ca 0.27 -1.33 -0.01 0.00 0.00 0.00 0.00 55.69 54.62 1xke s MET 68 Cb 0.13 0.30 -0.01 0.00 0.00 0.00 0.00 34.83 35.25 1xke s MET 68 CO 0.21 -0.32 0.00 1.21 0.00 0.00 0.00 175.02 176.12 1xke s ASN 69 N -3.01 0.11 -0.12 1.11 2.47 -1.26 -4.88 114.94 109.35 1xke s ASN 69 Ca 0.21 -0.23 -0.15 0.00 0.42 0.00 0.00 52.86 53.11 1xke s ASN 69 Cb 0.06 0.08 -0.05 0.00 -1.45 0.00 0.00 41.25 39.89 1xke s ASN 69 CO 0.01 -0.17 0.37 -1.48 -3.72 0.00 0.00 177.10 172.11 1xke s LEU 70 N -0.78 4.30 -0.04 3.21 0.05 -1.26 -3.66 118.68 120.50 1xke s LEU 70 Ca -0.09 0.69 0.07 0.00 0.05 0.00 0.00 54.13 54.85 1xke s LEU 70 Cb -0.05 -2.50 -0.01 0.00 -2.05 0.00 0.00 46.19 41.57 1xke s LEU 70 CO -0.00 0.12 -0.25 -0.75 -0.55 0.00 0.00 176.35 174.92 1xke s LYS 71 N 0.17 2.37 0.78 1.48 2.20 0.24 -4.92 119.74 122.06 1xke s LYS 71 Ca 0.21 -0.90 -0.11 0.00 -0.36 0.00 0.00 55.97 54.81 1xke s LYS 71 Cb -0.14 -2.10 0.06 0.00 -1.51 0.00 0.00 37.83 34.14 1xke s LYS 71 CO 0.08 0.44 1.09 -1.25 -0.36 0.00 0.00 175.35 175.34 1xke s PRO 72 N -0.31 2.18 0.29 4.03 0.04 -1.26 0.25 135.00 140.21 1xke s PRO 72 Ca 0.01 1.02 0.02 0.00 0.04 0.00 0.00 61.00 62.10 1xke s PRO 72 Cb -0.12 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 32.49 1xke s PRO 72 CO 0.02 -1.66 0.46 -1.17 0.04 0.00 0.00 177.00 174.69 1xke s LEU 73 N -5.90 4.16 0.11 -3.56 1.98 -1.13 -4.70 118.68 109.64 1xke s LEU 73 Ca 0.61 0.28 -0.30 0.00 -2.89 0.00 0.00 54.13 51.83 1xke s LEU 73 Cb -0.16 -3.11 -0.06 0.00 0.66 0.00 0.00 46.19 43.52 1xke s LEU 73 CO 0.56 -0.18 1.01 -0.44 -1.89 0.00 0.00 176.35 175.41 1xke s SER 74 N -3.95 7.40 0.00 3.68 0.01 -1.26 -3.82 113.70 115.76 1xke s SER 74 Ca 0.37 1.87 0.00 0.00 1.31 0.00 0.00 55.95 59.50 1xke s SER 74 Cb -0.09 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.55 1xke s SER 74 CO 0.33 -0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.44 1xke n GLY 75 N 2.32 2.85 3.87 3.44 0.00 -1.26 -4.94 105.19 111.47 1xke n GLY 75 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 1xke n GLY 75 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xke s SER 76 N -1.59 5.62 -0.21 1.61 0.15 -1.25 -4.98 113.70 113.05 1xke s SER 76 Ca 0.00 1.25 -0.16 0.00 0.70 0.00 0.00 55.95 57.74 1xke s SER 76 Cb 0.00 -2.13 -0.10 0.00 -1.71 0.00 0.00 66.02 62.08 1xke s SER 76 CO 0.00 -1.24 -0.20 -0.90 1.20 0.00 0.00 173.24 172.10 1xke n ASP 77 N -2.96 1.91 -1.09 5.45 5.75 -1.26 -4.83 116.55 119.52 1xke n ASP 77 Ca 0.07 0.41 -0.01 0.00 -0.01 0.00 0.00 54.79 55.24 1xke n ASP 77 Cb 0.56 -0.84 -0.02 0.00 -1.03 0.00 0.00 41.12 39.79 1xke n ASP 77 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1xke n ARG 78 N -4.41 0.00 -4.15 0.11 5.12 -1.26 -5.02 116.66 107.04 1xke n ARG 78 Ca -0.31 -1.29 -0.35 0.00 -1.93 0.00 0.00 57.85 53.97 1xke n ARG 78 Cb 0.64 0.12 -0.09 0.00 -1.16 0.00 0.00 32.46 31.97 1xke n ARG 78 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1xke s ALA 79 N 0.00 3.39 0.14 7.54 0.00 -1.26 -4.08 121.76 127.49 1xke s ALA 79 Ca 0.14 -0.76 0.02 0.00 0.00 0.00 0.00 51.96 51.36 1xke s ALA 79 Cb 0.16 -1.74 -0.04 0.00 0.00 0.00 0.00 23.12 21.49 1xke s ALA 79 CO -0.07 0.39 -0.03 -1.58 0.00 0.00 0.00 175.76 174.47 1xke s TRP 80 N -0.26 1.10 0.16 0.00 0.52 -1.24 -2.82 118.94 116.40 1xke s TRP 80 Ca 0.07 -0.96 0.09 0.00 0.02 0.00 0.00 56.10 55.32 1xke s TRP 80 Cb -0.12 -0.62 -0.04 0.00 -1.15 0.00 0.00 33.47 31.53 1xke s TRP 80 CO 0.02 -0.17 -0.19 0.00 0.02 0.00 0.00 176.95 176.63 1xke s MET 81 N -3.87 1.27 0.06 4.98 0.23 0.14 -2.39 119.30 119.71 1xke s MET 81 Ca 0.19 -1.37 0.02 0.00 -1.03 0.00 0.00 55.69 53.50 1xke s MET 81 Cb 0.05 -1.38 -0.03 0.00 -1.53 0.00 0.00 34.83 31.95 1xke s MET 81 CO 0.01 0.29 -0.08 1.67 -2.03 0.00 0.00 175.02 174.87 1xke s TRP 82 N -1.86 0.77 -0.23 3.16 -2.14 -0.03 0.79 118.94 119.40 1xke s TRP 82 Ca 0.14 -0.58 -0.10 0.00 2.66 0.00 0.00 56.10 58.23 1xke s TRP 82 Cb -0.07 -0.45 -0.05 0.00 -3.10 0.00 0.00 33.47 29.80 1xke s TRP 82 CO 0.06 -0.08 0.14 -0.48 -2.66 0.00 0.00 176.95 173.93 1xke s LEU 83 N -1.89 4.05 0.03 -4.66 2.34 -1.24 -1.34 118.68 115.97 1xke s LEU 83 Ca -0.05 0.10 -0.07 0.00 0.06 0.00 0.00 54.13 54.17 1xke s LEU 83 Cb -0.07 -2.08 -0.00 0.00 -0.56 0.00 0.00 46.19 43.48 1xke s LEU 83 CO -0.00 0.08 0.13 0.00 -1.06 0.00 0.00 176.35 175.50 1xke s ALA 84 N 0.95 -0.20 -0.52 1.48 0.00 0.62 -4.80 121.76 119.29 1xke s ALA 84 Ca 0.07 -0.39 -0.23 0.00 0.00 0.00 0.00 51.96 51.41 1xke s ALA 84 Cb -0.13 0.23 0.04 0.00 0.00 0.00 0.00 23.12 23.25 1xke s ALA 84 CO 0.03 -0.30 0.86 -1.54 0.00 0.00 0.00 175.76 174.82 1xke s SER 85 N -1.94 6.34 -0.27 0.00 1.04 -1.26 -0.91 113.70 116.70 1xke s SER 85 Ca -0.07 -0.36 -0.13 0.00 0.48 0.00 0.00 55.95 55.86 1xke s SER 85 Cb -0.03 -2.41 -0.04 0.00 0.10 0.00 0.00 66.02 63.64 1xke s SER 85 CO -0.03 -1.11 0.29 -0.62 0.98 0.00 0.00 173.24 172.75 1xke s ASP 86 N 2.66 6.16 -0.34 7.02 -1.08 -0.80 -4.58 116.67 125.70 1xke s ASP 86 Ca 0.28 0.17 -0.01 0.00 -0.52 0.00 0.00 52.55 52.48 1xke s ASP 86 Cb -0.13 -2.17 0.19 0.00 -1.46 0.00 0.00 42.92 39.35 1xke s ASP 86 CO 0.19 -0.10 0.83 0.12 0.52 0.00 0.00 175.17 176.73 1xke s PHE 87 N 1.82 -1.10 0.23 -5.34 5.36 -1.23 -3.69 117.98 114.02 1xke s PHE 87 Ca 0.12 0.32 -0.03 0.00 -0.96 0.00 0.00 56.93 56.37 1xke s PHE 87 Cb -0.16 0.20 0.23 0.00 -0.34 0.00 0.00 43.02 42.95 1xke s PHE 87 CO 0.10 -0.71 1.66 1.03 -1.46 0.00 0.00 175.22 175.83 1xke h SER 88 N 6.67 0.75 0.00 6.13 0.87 -1.45 -3.39 113.55 123.13 1xke h SER 88 Ca -0.01 -0.25 0.00 0.00 -1.23 0.00 0.00 61.79 60.29 1xke h SER 88 Cb 1.20 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.96 1xke h SER 88 CO 0.02 0.93 0.00 -0.67 -0.53 0.00 0.00 176.83 176.58 1xke n ASP 89 N -4.13 0.00 0.00 6.23 2.03 -1.26 -4.92 116.55 114.50 1xke n ASP 89 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1xke n ASP 89 Cb 0.41 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.81 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 0.00 -0.32 3.20 0.27 0.00 -1.26 -5.02 105.19 102.06 1xke n GLY 90 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 1xke n GLY 90 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xke s ASP 91 N -3.18 -0.77 -0.71 1.61 2.15 -1.26 -5.07 116.67 109.43 1xke s ASP 91 Ca 0.00 0.86 -0.25 0.00 0.43 0.00 0.00 52.55 53.59 1xke s ASP 91 Cb 0.00 1.81 0.05 0.00 -0.30 0.00 0.00 42.92 44.49 1xke s ASP 91 CO 0.00 -0.26 1.13 0.00 -0.17 0.00 0.00 175.17 175.87 1xke s ALA 92 N 2.75 2.94 0.03 3.66 0.00 -1.26 -4.28 121.76 125.61 1xke s ALA 92 Ca 0.11 -1.66 0.02 0.00 0.00 0.00 0.00 51.96 50.43 1xke s ALA 92 Cb -0.14 -4.07 -0.02 0.00 0.00 0.00 0.00 23.12 18.89 1xke s ALA 92 CO -0.18 -3.04 -0.06 0.15 0.00 0.00 0.00 175.76 172.62 1xke s LYS 93 N 4.83 0.46 -0.22 0.00 -0.14 -1.24 -5.02 119.74 118.41 1xke s LYS 93 Ca 0.29 -0.64 -0.15 0.00 -1.36 0.00 0.00 55.97 54.11 1xke s LYS 93 Cb -0.12 -0.23 -0.04 0.00 -1.68 0.00 0.00 37.83 35.76 1xke s LYS 93 CO 0.11 0.04 0.36 -0.48 -0.76 0.00 0.00 175.35 174.62 1xke s LEU 94 N -1.33 4.12 0.13 3.17 2.34 -1.26 -1.90 118.68 123.95 1xke s LEU 94 Ca -0.09 0.40 0.02 0.00 0.06 0.00 0.00 54.13 54.51 1xke s LEU 94 Cb -0.09 -2.43 -0.04 0.00 -0.56 0.00 0.00 46.19 43.07 1xke s LEU 94 CO 0.00 -0.08 -0.03 -1.61 -1.06 0.00 0.00 176.35 173.57 1xke s GLU 95 N 1.45 0.96 -0.30 1.48 0.41 -0.09 -4.94 118.70 117.66 1xke s GLU 95 Ca 0.16 -1.43 -0.06 0.00 -0.41 0.00 0.00 54.97 53.23 1xke s GLU 95 Cb -0.15 -0.19 0.01 0.00 -1.78 0.00 0.00 34.13 32.02 1xke s GLU 95 CO 0.08 -0.09 0.08 -0.65 -0.49 0.00 0.00 175.26 174.19 1xke s GLN 96 N -3.89 3.00 0.05 1.61 -0.21 -1.26 -0.28 119.66 118.68 1xke s GLN 96 Ca 0.18 -0.91 0.05 0.00 0.02 0.00 0.00 55.36 54.70 1xke s GLN 96 Cb 0.06 -3.36 -0.02 0.00 1.00 0.00 0.00 33.01 30.68 1xke s GLN 96 CO -0.01 -0.48 -0.15 -0.48 -2.12 0.00 0.00 175.29 172.06 1xke s LEU 97 N 1.47 2.19 0.31 2.90 0.05 -0.45 -3.24 118.68 121.92 1xke s LEU 97 Ca 0.02 -0.50 0.10 0.00 0.05 0.00 0.00 54.13 53.80 1xke s LEU 97 Cb -0.17 -0.62 -0.05 0.00 -2.05 0.00 0.00 46.19 43.29 1xke s LEU 97 CO 0.02 0.02 -0.09 0.00 -0.55 0.00 0.00 176.35 175.75 1xke s ALA 98 N -0.93 2.98 -0.09 1.48 0.00 -0.66 -0.85 121.76 123.69 1xke s ALA 98 Ca 0.01 -1.93 -0.04 0.00 0.00 0.00 0.00 51.96 50.01 1xke s ALA 98 Cb -0.08 -0.30 0.05 0.00 0.00 0.00 0.00 23.12 22.78 1xke s ALA 98 CO 0.02 0.17 0.18 0.00 0.00 0.00 0.00 175.76 176.13 1xke s ALA 99 N -2.51 -0.32 -0.01 0.00 0.00 -1.00 -0.16 121.76 117.75 1xke s ALA 99 Ca 0.32 0.73 0.03 0.00 0.00 0.00 0.00 51.96 53.05 1xke s ALA 99 Cb -0.02 -0.67 -0.03 0.00 0.00 0.00 0.00 23.12 22.40 1xke s ALA 99 CO 0.17 -0.35 -0.09 0.21 0.00 0.00 0.00 175.76 175.71 1xke s LYS 100 N 1.68 2.51 0.42 0.00 2.47 -0.94 -3.64 119.74 122.25 1xke s LYS 100 Ca -0.04 -0.73 0.07 0.00 -1.56 0.00 0.00 55.97 53.71 1xke s LYS 100 Cb -0.12 -2.46 -0.04 0.00 -1.46 0.00 0.00 37.83 33.75 1xke s LYS 100 CO -0.07 0.60 0.24 -0.06 0.16 0.00 0.00 175.35 176.23 1xke s PHE 101 N -0.94 2.58 0.07 4.03 0.40 -1.26 -1.63 117.98 121.22 1xke s PHE 101 Ca 0.16 -0.58 -0.24 0.00 -0.60 0.00 0.00 56.93 55.67 1xke s PHE 101 Cb -0.11 -2.01 -0.16 0.00 0.51 0.00 0.00 43.02 41.25 1xke s PHE 101 CO 0.06 0.08 1.65 0.87 0.70 0.00 0.00 175.22 178.57 1xke h LYS 102 N 1.29 -0.01 -5.03 0.44 6.56 -1.93 -3.45 116.57 114.43 1xke h LYS 102 Ca -0.42 0.00 -0.40 0.00 -1.06 0.00 0.00 60.65 58.77 1xke h LYS 102 Cb 1.26 0.00 -0.14 0.00 -0.57 0.00 0.00 32.23 32.78 1xke h LYS 102 CO 0.66 0.08 -0.62 0.95 -2.06 0.00 0.00 179.45 178.46 1xke s THR 103 N -5.83 0.85 -1.51 -0.16 -4.23 -1.26 -5.01 115.64 98.49 1xke s THR 103 Ca -0.14 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 58.50 1xke s THR 103 Cb 0.05 -2.64 0.24 0.00 1.34 0.00 0.00 72.50 71.49 1xke s THR 103 CO 0.66 -0.05 1.29 -2.65 -0.54 0.00 0.00 174.62 173.33 1xke n PRO 104 N -0.53 0.21 0.08 3.99 -0.02 -1.26 -0.42 135.00 137.05 1xke n PRO 104 Ca -0.02 0.14 -0.11 0.00 -2.02 0.00 0.00 63.50 61.49 1xke n PRO 104 Cb 0.66 -1.50 -0.08 0.00 -0.02 0.00 0.00 33.50 32.56 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 -0.26 -0.08 -0.52 4.81 -1.96 0.56 114.58 117.14 1xke h GLU 105 Ca 0.00 0.02 -0.22 0.00 -0.13 0.00 0.00 59.36 59.03 1xke h GLU 105 Cb 0.10 0.06 0.01 0.00 0.63 0.00 0.00 28.75 29.55 1xke h GLU 105 CO 0.00 0.14 -0.84 -0.07 -0.73 0.00 0.00 179.01 177.50 1xke h LEU 106 N -0.82 0.74 -0.05 1.64 4.07 -1.72 0.37 115.31 119.53 1xke h LEU 106 Ca -0.03 -0.52 -0.03 0.00 0.08 0.00 0.00 57.88 57.38 1xke h LEU 106 Cb 0.52 -0.22 -0.00 0.00 1.08 0.00 0.00 40.66 42.04 1xke h LEU 106 CO 0.05 1.31 -0.09 0.00 -1.08 0.00 0.00 178.44 178.62 1xke h ALA 107 N 0.67 0.08 -0.05 1.53 0.00 -0.84 -2.53 119.26 118.12 1xke h ALA 107 Ca -0.07 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.49 1xke h ALA 107 Cb 1.46 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1xke h ALA 107 CO 0.16 -0.07 -0.13 1.49 0.00 0.00 0.00 179.25 180.70 1xke h GLU 108 N -0.33 0.19 -0.84 0.00 4.81 0.25 -2.60 114.58 116.05 1xke h GLU 108 Ca 0.00 -0.13 0.08 0.00 -0.13 0.00 0.00 59.36 59.19 1xke h GLU 108 Cb 0.65 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.99 1xke h GLU 108 CO 0.02 0.73 0.55 0.93 -0.73 0.00 0.00 179.01 180.50 1xke h GLU 109 N -0.33 0.84 -0.06 1.92 4.39 -1.04 -1.58 114.58 118.72 1xke h GLU 109 Ca -0.00 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.63 1xke h GLU 109 Cb 0.73 -0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 29.19 1xke h GLU 109 CO 0.03 0.56 -0.04 0.35 -1.16 0.00 0.00 179.01 178.74 1xke h PHE 110 N 0.87 0.16 -0.56 4.33 3.57 -1.41 -2.39 116.94 121.51 1xke h PHE 110 Ca 0.37 -0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.78 1xke h PHE 110 Cb 0.32 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 1xke h PHE 110 CO -0.00 0.55 0.15 0.87 -2.23 0.00 0.00 178.31 177.65 1xke h LYS 111 N -0.27 0.88 -0.39 1.11 1.79 -0.97 0.43 116.57 119.15 1xke h LYS 111 Ca 0.01 -0.20 -0.05 0.00 -2.18 0.00 0.00 60.65 58.23 1xke h LYS 111 Cb 0.51 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 31.03 1xke h LYS 111 CO 0.01 0.82 0.05 1.96 -1.08 0.00 0.00 179.45 181.21 1xke h GLN 112 N 0.78 0.65 0.00 3.15 1.08 -1.41 -2.07 115.11 117.29 1xke h GLN 112 Ca 0.18 -0.18 -0.06 0.00 -1.45 0.00 0.00 58.65 57.13 1xke h GLN 112 Cb 0.32 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.67 1xke h GLN 112 CO -0.00 0.71 -0.31 -0.22 -0.95 0.00 0.00 178.83 178.07 1xke h LYS 113 N 0.49 0.00 0.30 1.46 1.63 -1.09 -1.43 116.57 117.94 1xke h LYS 113 Ca 0.12 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.90 1xke h LYS 113 Cb 0.39 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.02 1xke h LYS 113 CO 0.01 0.31 -0.15 0.35 -3.45 0.00 0.00 179.45 176.52 1xke h PHE 114 N 0.00 -0.38 -0.01 1.91 3.04 0.40 0.95 116.94 122.85 1xke h PHE 114 Ca -0.00 -0.01 -0.09 0.00 3.98 0.00 0.00 57.97 61.85 1xke h PHE 114 Cb 0.68 0.13 -0.01 0.00 2.56 0.00 0.00 35.95 39.30 1xke h PHE 114 CO 0.00 -0.05 -0.42 1.05 -2.02 0.00 0.00 178.31 176.86 1xke h GLU 115 N -0.73 0.02 0.44 1.11 4.11 -1.31 -1.13 114.58 117.10 1xke h GLU 115 Ca -0.04 -0.01 -0.02 0.00 0.07 0.00 0.00 59.36 59.36 1xke h GLU 115 Cb 0.49 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1xke h GLU 115 CO 0.07 0.45 -0.23 1.49 0.07 0.00 0.00 179.01 180.85 1xke h GLU 116 N 0.02 -0.60 -0.47 1.06 4.57 -1.07 -2.18 114.58 115.92 1xke h GLU 116 Ca -0.00 0.04 0.03 0.00 -1.18 0.00 0.00 59.36 58.24 1xke h GLU 116 Cb 0.76 0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 29.46 1xke h GLU 116 CO 0.06 -0.40 0.31 0.00 -1.18 0.00 0.00 179.01 177.80 1xke h GLN 118 N 0.55 -0.07 -0.04 0.00 4.20 -0.63 0.13 115.11 119.25 1xke h GLN 118 Ca 0.19 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.87 1xke h GLN 118 Cb 0.07 0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.87 1xke h GLN 118 CO -0.05 -0.05 -0.10 0.00 -0.67 0.00 0.00 178.83 177.97 1xke h ARG 119 N -0.07 0.15 -0.01 1.46 2.47 -0.69 -3.39 114.38 114.30 1xke h ARG 119 Ca 0.05 -0.10 -0.08 0.00 -1.26 0.00 0.00 59.98 58.60 1xke h ARG 119 Cb 0.15 0.01 0.01 0.00 -1.65 0.00 0.00 29.97 28.49 1xke h ARG 119 CO -0.12 0.69 -0.29 -0.07 0.56 0.00 0.00 179.97 180.73 1xke h LEU 120 N -0.38 0.27 -2.74 3.04 4.07 -0.46 -3.37 115.31 115.74 1xke h LEU 120 Ca 0.00 -0.76 -0.00 0.00 0.08 0.00 0.00 57.88 57.20 1xke h LEU 120 Cb 0.69 -0.08 -0.00 0.00 1.08 0.00 0.00 40.66 42.35 1xke h LEU 120 CO 0.02 1.00 -0.01 0.25 -1.08 0.00 0.00 178.44 178.62 1xke h LEU 121 N -0.43 0.00 -0.42 1.67 5.85 -0.91 0.36 115.31 121.42 1xke h LEU 121 Ca -0.04 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.61 1xke h LEU 121 Cb 1.04 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.05 1xke h LEU 121 CO 0.06 0.01 -0.01 -0.07 -0.34 0.00 0.00 178.44 178.08 1xke h LEU 122 N 0.00 0.74 0.00 2.25 3.38 -1.74 -3.38 115.31 116.56 1xke h LEU 122 Ca -0.00 -0.31 -0.14 0.00 0.09 0.00 0.00 57.88 57.52 1xke h LEU 122 Cb 0.04 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 1xke h LEU 122 CO 0.00 0.88 -1.65 -0.67 0.09 0.00 0.00 178.44 177.09 1xke n ASP 123 N -4.40 2.51 -4.77 -0.43 2.03 0.07 -4.99 116.55 106.57 1xke n ASP 123 Ca -0.00 0.00 -0.36 0.00 0.52 0.00 0.00 54.79 54.94 1xke n ASP 123 Cb 0.30 0.93 -0.01 0.00 -0.72 0.00 0.00 41.12 41.62 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 -2.37 3.22 0.17 5.18 -5.25 -0.93 -4.93 121.20 116.30 1xke s ILE 124 Ca -0.05 0.86 -0.33 0.00 -0.99 0.00 0.00 60.65 60.14 1xke s ILE 124 Cb 0.04 -3.41 -0.15 0.00 2.95 0.00 0.00 42.46 41.89 1xke s ILE 124 CO 0.42 -0.07 1.38 -2.65 -1.79 0.00 0.00 174.94 172.24 1xke n PRO 125 N -0.72 1.69 -0.51 0.37 -0.02 -1.26 -4.80 135.00 129.75 1xke n PRO 125 Ca 0.08 0.60 -0.03 0.00 -2.02 0.00 0.00 63.50 62.14 1xke n PRO 125 Cb 0.49 -2.25 -0.04 0.00 -0.02 0.00 0.00 33.50 31.68 1xke n PRO 125 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1xke n LEU 126 N 2.52 4.14 -1.19 2.45 4.77 -1.26 -4.36 117.00 124.07 1xke n LEU 126 Ca 0.15 -2.10 -0.14 0.00 -0.03 0.00 0.00 56.01 53.89 1xke n LEU 126 Cb 0.27 -0.95 -0.05 0.00 -2.33 0.00 0.00 43.42 40.36 1xke n LEU 126 CO 0.62 0.92 -0.14 0.00 -1.33 0.00 0.00 177.39 177.46 1xke n GLN 127 N 1.93 -1.01 -2.83 3.23 1.13 -1.26 -5.02 117.38 113.55 1xke n GLN 127 Ca 0.11 0.93 -0.33 0.00 -1.94 0.00 0.00 57.00 55.76 1xke n GLN 127 Cb 0.49 -5.06 -0.07 0.00 0.11 0.00 0.00 30.24 25.71 1xke n GLN 127 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1xke s THR 128 N -2.56 4.41 0.13 5.09 2.01 -1.26 -4.96 115.64 118.50 1xke s THR 128 Ca 0.00 1.46 -0.35 0.00 0.31 0.00 0.00 61.69 63.11 1xke s THR 128 Cb 0.00 -3.60 -0.15 0.00 0.01 0.00 0.00 72.50 68.75 1xke s THR 128 CO 0.00 -0.32 1.41 -0.81 -0.69 0.00 0.00 174.62 174.21 1xke n PRO 129 N -0.65 1.56 0.00 4.92 -0.04 -1.26 -5.01 135.00 134.52 1xke n PRO 129 Ca 0.07 0.56 0.00 0.00 -0.04 0.00 0.00 63.50 64.09 1xke n PRO 129 Cb 0.54 -2.23 0.00 0.00 -0.04 0.00 0.00 33.50 31.77 1xke n PRO 129 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63