#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 -4.73 0.05 1.61 2.88 -1.26 -4.75 113.62 107.41 1xke n SER 2 Ca 0.00 0.18 0.00 0.00 -1.33 0.00 0.00 58.87 57.72 1xke n SER 2 Cb 0.00 -3.73 0.00 0.00 -0.75 0.00 0.00 64.21 59.73 1xke n SER 2 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1xke n GLY 3 N -1.05 -0.27 0.55 0.46 0.00 -1.26 -4.85 105.19 98.77 1xke n GLY 3 Ca -0.17 0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.01 1xke n GLY 3 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xke n GLU 4 N -2.82 1.65 0.00 1.61 1.02 -1.26 -4.82 120.64 116.02 1xke n GLU 4 Ca 0.00 -1.11 0.00 0.00 -0.02 0.00 0.00 57.16 56.03 1xke n GLU 4 Cb 0.00 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 29.94 1xke n GLU 4 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1xke n GLU 5 N 0.29 0.00 -1.07 3.49 0.00 -1.26 -4.96 120.64 117.13 1xke n GLU 5 Ca 0.16 0.00 -0.03 0.00 0.00 0.00 0.00 57.16 57.30 1xke n GLU 5 Cb 0.42 0.00 -0.01 0.00 0.00 0.00 0.00 31.44 31.85 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 0.00 -3.76 -4.70 -1.84 2.03 -1.26 -4.67 116.55 102.35 1xke n ASP 6 Ca 0.00 0.06 -0.34 0.00 0.52 0.00 0.00 54.79 55.03 1xke n ASP 6 Cb 0.00 -1.48 -0.09 0.00 -0.72 0.00 0.00 41.12 38.83 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 -1.40 2.94 0.27 -0.67 1.03 -1.26 -0.72 118.70 118.90 1xke s GLU 7 Ca 0.00 -0.47 0.12 0.00 0.03 0.00 0.00 54.97 54.65 1xke s GLU 7 Cb 0.00 -2.77 -0.05 0.00 -0.80 0.00 0.00 34.13 30.51 1xke s GLU 7 CO 0.00 0.67 -0.19 -1.59 -1.33 0.00 0.00 175.26 172.82 1xke s LYS 8 N -1.20 1.70 -0.27 -4.83 -2.85 0.14 -4.74 119.74 107.69 1xke s LYS 8 Ca 0.16 -1.73 -0.13 0.00 -1.00 0.00 0.00 55.97 53.28 1xke s LYS 8 Cb -0.11 -1.80 -0.04 0.00 -2.06 0.00 0.00 37.83 33.81 1xke s LYS 8 CO 0.06 0.34 0.27 0.08 0.10 0.00 0.00 175.35 176.20 1xke s VAL 9 N -2.43 5.25 -0.15 1.79 1.01 -1.25 0.35 120.40 124.96 1xke s VAL 9 Ca 0.29 0.34 0.01 0.00 0.00 0.00 0.00 61.98 62.63 1xke s VAL 9 Cb -0.05 -3.60 -0.10 0.00 0.00 0.00 0.00 36.38 32.62 1xke s VAL 9 CO 0.15 0.21 -0.14 0.18 0.00 0.00 0.00 175.10 175.50 1xke n LEU 10 N 5.16 2.94 -3.87 3.92 7.99 -0.97 -5.01 117.00 127.16 1xke n LEU 10 Ca -0.12 -0.08 -0.11 0.00 -0.01 0.00 0.00 56.01 55.70 1xke n LEU 10 Cb 0.51 -0.54 -0.12 0.00 -0.11 0.00 0.00 43.42 43.17 1xke n LEU 10 CO 0.35 0.75 -0.24 -0.47 -1.51 0.00 0.00 177.39 176.27 1xke s TYR 11 N -2.31 0.00 0.00 -1.77 5.04 -1.26 -5.02 117.35 112.03 1xke s TYR 11 Ca -0.21 -0.00 0.04 0.00 -2.44 0.00 0.00 57.07 54.46 1xke s TYR 11 Cb 0.05 -0.03 -0.01 0.00 0.35 0.00 0.00 41.96 42.32 1xke s TYR 11 CO 0.35 -0.16 -0.12 -1.54 -1.34 0.00 0.00 175.55 172.74 1xke s SER 12 N -0.70 1.45 -0.09 4.32 1.04 -1.25 -0.69 113.70 117.78 1xke s SER 12 Ca -0.08 -0.27 -0.11 0.00 0.48 0.00 0.00 55.95 55.97 1xke s SER 12 Cb -0.05 -0.15 0.03 0.00 0.10 0.00 0.00 66.02 65.95 1xke s SER 12 CO 0.00 0.12 0.29 -1.10 0.98 0.00 0.00 173.24 173.54 1xke s GLN 13 N -0.46 0.41 -0.19 4.02 -1.52 0.85 -4.88 119.66 117.90 1xke s GLN 13 Ca 0.04 0.26 -0.29 0.00 -1.95 0.00 0.00 55.36 53.42 1xke s GLN 13 Cb -0.05 0.19 -0.00 0.00 -0.22 0.00 0.00 33.01 32.93 1xke s GLN 13 CO -0.00 -0.07 1.15 0.50 -0.25 0.00 0.00 175.29 176.62 1xke s ARG 14 N -0.19 4.25 0.21 2.91 3.52 -1.26 0.14 118.95 128.53 1xke s ARG 14 Ca -0.03 1.51 -0.02 0.00 -0.13 0.00 0.00 55.73 57.06 1xke s ARG 14 Cb -0.03 -3.69 -0.04 0.00 -1.56 0.00 0.00 34.95 29.63 1xke s ARG 14 CO 0.01 -0.65 0.17 0.54 -0.81 0.00 0.00 175.30 174.56 1xke s VAL 15 N 3.28 0.00 -0.11 7.11 0.11 0.18 -4.77 120.40 126.20 1xke s VAL 15 Ca 0.49 -1.94 -0.01 0.00 -2.93 0.00 0.00 61.98 57.60 1xke s VAL 15 Cb -0.18 -2.47 -0.02 0.00 -1.53 0.00 0.00 36.38 32.17 1xke s VAL 15 CO 0.11 0.00 -0.08 -0.54 -3.33 0.00 0.00 175.10 171.25 1xke s LYS 16 N -4.11 3.18 0.01 1.54 1.02 -0.91 -0.29 119.74 120.18 1xke s LYS 16 Ca 0.37 -0.59 0.00 0.00 0.02 0.00 0.00 55.97 55.77 1xke s LYS 16 Cb 0.06 -2.68 -0.04 0.00 -0.52 0.00 0.00 37.83 34.65 1xke s LYS 16 CO 0.12 0.41 0.09 -1.17 -0.92 0.00 0.00 175.35 173.89 1xke s LEU 17 N -0.13 3.93 0.05 3.17 2.96 -0.14 -2.33 118.68 126.19 1xke s LEU 17 Ca 0.01 0.14 0.04 0.00 -0.22 0.00 0.00 54.13 54.09 1xke s LEU 17 Cb -0.13 -2.36 -0.02 0.00 0.50 0.00 0.00 46.19 44.17 1xke s LEU 17 CO 0.03 0.25 -0.11 -0.36 -1.32 0.00 0.00 176.35 174.83 1xke s PHE 18 N -1.25 0.99 0.08 5.38 0.40 0.13 0.13 117.98 123.83 1xke s PHE 18 Ca 0.25 -0.43 0.08 0.00 -0.60 0.00 0.00 56.93 56.23 1xke s PHE 18 Cb -0.12 -0.57 -0.04 0.00 0.51 0.00 0.00 43.02 42.80 1xke s PHE 18 CO 0.16 0.00 -0.18 -0.98 0.70 0.00 0.00 175.22 174.92 1xke s ARG 19 N -1.47 1.91 -0.26 0.44 1.70 0.19 -1.66 118.95 119.81 1xke s ARG 19 Ca -0.04 -1.09 -0.21 0.00 -0.47 0.00 0.00 55.73 53.92 1xke s ARG 19 Cb -0.09 -2.15 -0.02 0.00 -0.57 0.00 0.00 34.95 32.13 1xke s ARG 19 CO 0.01 0.51 0.67 0.12 -1.08 0.00 0.00 175.30 175.53 1xke s PHE 20 N -1.04 3.28 -0.23 5.89 5.36 -1.16 0.49 117.98 130.56 1xke s PHE 20 Ca 0.16 0.86 -0.22 0.00 -0.96 0.00 0.00 56.93 56.77 1xke s PHE 20 Cb -0.11 -2.90 -0.02 0.00 -0.34 0.00 0.00 43.02 39.66 1xke s PHE 20 CO 0.08 -0.36 0.69 0.34 -1.46 0.00 0.00 175.22 174.51 1xke s ASP 21 N 1.46 6.69 0.21 6.13 2.15 0.22 -4.84 116.67 128.68 1xke s ASP 21 Ca 0.28 0.84 -0.04 0.00 0.43 0.00 0.00 52.55 54.06 1xke s ASP 21 Cb -0.15 -2.37 0.17 0.00 -0.30 0.00 0.00 42.92 40.26 1xke s ASP 21 CO 0.09 -0.38 1.59 0.00 -0.17 0.00 0.00 175.17 176.29 1xke h ALA 22 N 7.71 0.82 0.00 3.66 0.00 -1.92 0.52 119.26 130.05 1xke h ALA 22 Ca -0.27 -0.41 -0.20 0.00 0.00 0.00 0.00 54.91 54.03 1xke h ALA 22 Cb 1.12 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 1xke h ALA 22 CO 0.80 0.64 -0.94 0.93 0.00 0.00 0.00 179.25 180.69 1xke h GLU 23 N 0.60 0.00 0.00 0.00 5.08 -1.94 -2.94 114.58 115.38 1xke h GLU 23 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1xke h GLU 23 Cb 0.84 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.09 1xke h GLU 23 CO 0.07 0.92 -0.69 0.28 -1.00 0.00 0.00 179.01 178.59 1xke n VAL 24 N -3.33 0.00 -2.81 3.13 0.31 -1.17 -4.89 118.33 109.57 1xke n VAL 24 Ca 0.00 -0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.16 1xke n VAL 24 Cb 0.91 0.54 -0.00 0.00 -0.91 0.00 0.00 33.84 34.38 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 -1.50 -4.19 -3.81 4.52 7.64 0.15 -4.94 113.62 111.49 1xke n SER 25 Ca 0.05 -0.06 -0.12 0.00 1.01 0.00 0.00 58.87 59.75 1xke n SER 25 Cb 0.33 -3.50 -0.09 0.00 -1.01 0.00 0.00 64.21 59.94 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 -5.43 0.59 -0.01 1.43 0.74 0.78 -4.82 119.66 112.95 1xke s GLN 26 Ca 0.17 -0.28 -0.30 0.00 0.05 0.00 0.00 55.36 55.00 1xke s GLN 26 Cb -0.08 0.26 -0.06 0.00 1.10 0.00 0.00 33.01 34.22 1xke s GLN 26 CO 0.20 -0.16 1.51 1.67 -0.55 0.00 0.00 175.29 177.97 1xke s TRP 27 N -1.35 2.53 0.02 1.67 1.48 -1.25 0.69 118.94 122.73 1xke s TRP 27 Ca -0.14 0.56 0.02 0.00 -1.06 0.00 0.00 56.10 55.48 1xke s TRP 27 Cb -0.06 -3.78 -0.02 0.00 -1.16 0.00 0.00 33.47 28.45 1xke s TRP 27 CO 0.03 -3.07 -0.07 0.21 -4.06 0.00 0.00 176.95 169.99 1xke s LYS 28 N 2.96 0.53 0.41 3.25 2.20 0.18 -4.91 119.74 124.34 1xke s LYS 28 Ca 0.68 -0.53 -0.26 0.00 -0.36 0.00 0.00 55.97 55.50 1xke s LYS 28 Cb -0.33 -0.40 -0.09 0.00 -1.51 0.00 0.00 37.83 35.50 1xke s LYS 28 CO 0.28 0.09 1.36 -1.83 -0.36 0.00 0.00 175.35 174.89 1xke s GLU 29 N -0.95 3.95 -0.01 4.03 1.03 -1.26 0.57 118.70 126.05 1xke s GLU 29 Ca -0.04 2.29 0.15 0.00 0.03 0.00 0.00 54.97 57.40 1xke s GLU 29 Cb -0.07 -2.79 -0.20 0.00 -0.80 0.00 0.00 34.13 30.28 1xke s GLU 29 CO 0.00 -0.56 0.68 0.54 -1.33 0.00 0.00 175.26 174.59 1xke n ARG 30 N 0.15 0.63 -3.17 -4.83 1.74 0.34 -4.66 116.66 106.87 1xke n ARG 30 Ca 0.03 0.24 0.00 0.00 -0.77 0.00 0.00 57.85 57.35 1xke n ARG 30 Cb 0.42 -1.77 0.00 0.00 -1.02 0.00 0.00 32.46 30.09 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 1.50 -0.51 3.05 -0.13 0.00 -1.08 -4.98 105.19 103.05 1xke n GLY 31 Ca -0.15 -0.98 -0.20 0.00 0.00 0.00 0.00 46.02 44.69 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 2.01 0.00 0.99 2.01 -1.26 -0.96 118.68 121.47 1xke s LEU 32 Ca 0.00 -0.20 0.00 0.00 0.01 0.00 0.00 54.13 53.94 1xke s LEU 32 Cb 0.00 -0.57 0.00 0.00 0.01 0.00 0.00 46.19 45.63 1xke s LEU 32 CO 0.00 0.13 0.00 0.61 1.01 0.00 0.00 176.35 178.10 1xke n GLY 33 N 2.82 2.38 2.95 -3.19 0.00 0.61 -2.97 105.19 107.78 1xke n GLY 33 Ca -0.14 -0.35 -0.23 0.00 0.00 0.00 0.00 46.02 45.31 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 2.00 1.46 -0.27 1.61 2.47 -0.58 -0.64 114.94 120.99 1xke s ASN 34 Ca 0.00 -0.22 -0.22 0.00 0.42 0.00 0.00 52.86 52.84 1xke s ASN 34 Cb 0.00 -0.65 -0.01 0.00 -1.45 0.00 0.00 41.25 39.14 1xke s ASN 34 CO 0.00 -0.03 0.73 -0.22 -3.72 0.00 0.00 177.10 173.87 1xke s LEU 35 N 0.94 4.08 -0.15 3.21 0.20 0.37 -2.61 118.68 124.72 1xke s LEU 35 Ca -0.10 0.78 -0.06 0.00 0.69 0.00 0.00 54.13 55.43 1xke s LEU 35 Cb -0.15 -3.02 -0.04 0.00 -0.43 0.00 0.00 46.19 42.56 1xke s LEU 35 CO 0.01 -0.49 0.07 -0.75 -0.29 0.00 0.00 176.35 174.90 1xke s LYS 36 N 2.74 3.64 -0.22 1.98 2.47 0.26 -0.10 119.74 130.51 1xke s LYS 36 Ca 0.30 -0.29 -0.05 0.00 -1.56 0.00 0.00 55.97 54.37 1xke s LYS 36 Cb -0.15 -3.13 -0.02 0.00 -1.46 0.00 0.00 37.83 33.07 1xke s LYS 36 CO 0.09 0.50 0.00 0.42 0.16 0.00 0.00 175.35 176.53 1xke s ILE 37 N -0.28 3.84 -0.14 5.43 -1.09 0.13 -0.39 121.20 128.70 1xke s ILE 37 Ca 0.09 -0.34 -0.02 0.00 -2.23 0.00 0.00 60.65 58.14 1xke s ILE 37 Cb -0.12 -2.76 -0.03 0.00 -1.58 0.00 0.00 42.46 37.98 1xke s ILE 37 CO 0.01 0.40 -0.06 -0.76 -1.23 0.00 0.00 174.94 173.31 1xke s LEU 38 N 1.33 3.16 -0.10 2.97 1.02 -0.25 -2.29 118.68 124.52 1xke s LEU 38 Ca 0.04 -0.14 0.02 0.00 0.02 0.00 0.00 54.13 54.08 1xke s LEU 38 Cb -0.15 -1.74 0.01 0.00 0.02 0.00 0.00 46.19 44.33 1xke s LEU 38 CO 0.01 0.20 -0.17 -0.75 0.02 0.00 0.00 176.35 175.66 1xke s LYS 39 N 0.17 2.36 0.49 1.70 2.20 0.15 0.37 119.74 127.19 1xke s LYS 39 Ca -0.03 -0.62 -0.23 0.00 -0.36 0.00 0.00 55.97 54.73 1xke s LYS 39 Cb -0.14 -1.92 -0.06 0.00 -1.51 0.00 0.00 37.83 34.19 1xke s LYS 39 CO 0.03 0.01 1.31 -0.80 -0.36 0.00 0.00 175.35 175.54 1xke s ASN 40 N 0.76 5.71 0.54 1.43 -0.87 -0.85 0.25 114.94 121.91 1xke s ASN 40 Ca -0.11 2.65 0.27 0.00 -1.57 0.00 0.00 52.86 54.09 1xke s ASN 40 Cb -0.16 -2.63 1.53 0.00 -0.02 0.00 0.00 41.25 39.97 1xke s ASN 40 CO 0.02 -1.26 2.13 -0.33 -2.57 0.00 0.00 177.10 175.08 1xke h GLU 41 N 1.87 0.00 0.00 -0.60 4.39 -1.27 0.18 114.58 119.15 1xke h GLU 41 Ca -0.50 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.15 1xke h GLU 41 Cb 1.28 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.92 1xke h GLU 41 CO 0.59 0.09 -0.25 0.28 -1.16 0.00 0.00 179.01 178.56 1xke h VAL 42 N 0.00 0.44 -2.82 3.13 2.07 -1.89 -3.47 116.25 113.72 1xke h VAL 42 Ca -0.00 -1.53 -0.34 0.00 0.82 0.00 0.00 66.70 65.65 1xke h VAL 42 Cb 0.22 2.14 0.00 0.00 -1.52 0.00 0.00 31.29 32.13 1xke h VAL 42 CO 0.01 0.24 -0.46 -3.20 0.02 0.00 0.00 177.57 174.18 1xke n ASN 43 N -3.19 -5.13 -0.09 0.57 5.15 0.63 -4.90 115.26 108.30 1xke n ASN 43 Ca 0.03 -0.08 -0.21 0.00 -0.60 0.00 0.00 54.58 53.72 1xke n ASN 43 Cb 0.60 -4.15 -0.12 0.00 -0.53 0.00 0.00 39.78 35.57 1xke n ASN 43 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 1xke h GLY 44 N -0.32 0.04 -5.18 8.20 0.00 -1.91 -3.45 103.07 100.45 1xke h GLY 44 Ca -0.42 -0.11 -0.54 0.00 0.00 0.00 0.00 47.33 46.26 1xke h GLY 44 CO 0.48 0.10 -0.83 0.54 0.00 0.00 0.00 176.54 176.83 1xke s LYS 45 N -2.38 1.54 0.18 4.80 1.02 -1.26 -5.01 119.74 118.63 1xke s LYS 45 Ca -0.27 -0.57 0.10 0.00 0.02 0.00 0.00 55.97 55.25 1xke s LYS 45 Cb 0.05 -1.40 -0.04 0.00 -0.52 0.00 0.00 37.83 35.92 1xke s LYS 45 CO 0.63 0.27 -0.21 -0.51 -0.92 0.00 0.00 175.35 174.60 1xke s LEU 46 N -0.10 2.43 0.13 3.17 1.02 -1.26 -2.01 118.68 122.06 1xke s LEU 46 Ca 0.00 -0.85 0.06 0.00 0.02 0.00 0.00 54.13 53.36 1xke s LEU 46 Cb -0.09 -1.01 -0.04 0.00 0.02 0.00 0.00 46.19 45.07 1xke s LEU 46 CO 0.01 0.05 -0.15 -0.13 0.02 0.00 0.00 176.35 176.15 1xke s ARG 47 N -2.67 1.07 -0.18 1.70 1.81 0.16 -0.65 118.95 120.20 1xke s ARG 47 Ca 0.18 -1.26 0.01 0.00 -1.72 0.00 0.00 55.73 52.94 1xke s ARG 47 Cb -0.07 -1.01 0.03 0.00 -0.45 0.00 0.00 34.95 33.45 1xke s ARG 47 CO 0.08 0.20 -0.17 -1.64 -0.68 0.00 0.00 175.30 173.10 1xke s MET 48 N -2.63 2.64 0.12 3.54 -1.94 0.25 -1.09 119.30 120.18 1xke s MET 48 Ca 0.10 -0.81 0.07 0.00 -1.71 0.00 0.00 55.69 53.34 1xke s MET 48 Cb -0.05 -2.47 -0.04 0.00 2.01 0.00 0.00 34.83 34.28 1xke s MET 48 CO 0.04 -0.28 -0.18 -0.48 -0.01 0.00 0.00 175.02 174.11 1xke s LEU 49 N 1.33 2.34 -0.04 -0.03 0.05 0.47 -0.55 118.68 122.26 1xke s LEU 49 Ca 0.03 -0.74 0.00 0.00 0.05 0.00 0.00 54.13 53.48 1xke s LEU 49 Cb -0.14 -0.76 0.03 0.00 -2.05 0.00 0.00 46.19 43.26 1xke s LEU 49 CO -0.11 -0.01 -0.01 0.00 -0.55 0.00 0.00 176.35 175.66 1xke s MET 50 N -2.20 0.53 -0.02 1.48 0.23 -0.97 0.91 119.30 119.26 1xke s MET 50 Ca 0.08 0.03 -0.01 0.00 -1.03 0.00 0.00 55.69 54.76 1xke s MET 50 Cb -0.08 -0.71 -0.04 0.00 -1.53 0.00 0.00 34.83 32.47 1xke s MET 50 CO 0.04 -0.16 0.07 0.50 -2.03 0.00 0.00 175.02 173.45 1xke s ARG 51 N 1.23 3.08 -0.16 3.16 3.52 -1.07 0.11 118.95 128.81 1xke s ARG 51 Ca -0.07 -0.45 -0.25 0.00 -0.13 0.00 0.00 55.73 54.83 1xke s ARG 51 Cb -0.13 -2.87 -0.02 0.00 -1.56 0.00 0.00 34.95 30.37 1xke s ARG 51 CO -0.02 0.66 0.81 1.03 -0.81 0.00 0.00 175.30 176.97 1xke s ARG 52 N -1.57 4.30 0.02 5.12 0.52 -0.25 -1.53 118.95 125.55 1xke s ARG 52 Ca 0.21 0.98 -0.13 0.00 -0.52 0.00 0.00 55.73 56.27 1xke s ARG 52 Cb -0.12 -3.56 -0.06 0.00 0.52 0.00 0.00 34.95 31.72 1xke s ARG 52 CO 0.12 -0.29 1.19 1.49 0.02 0.00 0.00 175.30 177.83 1xke h GLU 53 N 7.30 -0.39 -0.00 3.54 4.81 -1.85 0.49 114.58 128.48 1xke h GLU 53 Ca -0.30 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 1xke h GLU 53 Cb 1.14 0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.61 1xke h GLU 53 CO 0.82 -0.26 -0.07 1.04 -0.73 0.00 0.00 179.01 179.82 1xke n GLN 54 N -3.31 0.23 0.00 1.92 6.02 -1.26 -2.50 117.38 118.49 1xke n GLN 54 Ca -0.05 -0.03 0.12 0.00 -0.01 0.00 0.00 57.00 57.03 1xke n GLN 54 Cb 0.17 -1.50 0.21 0.00 1.02 0.00 0.00 30.24 30.14 1xke n GLN 54 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1xke n VAL 55 N -1.35 0.00 -0.69 5.09 0.31 -0.94 -4.95 118.33 115.80 1xke n VAL 55 Ca 0.10 -0.25 -0.01 0.00 -0.01 0.00 0.00 64.34 64.17 1xke n VAL 55 Cb 0.30 0.92 -0.00 0.00 -0.91 0.00 0.00 33.84 34.14 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 0.02 0.49 -3.89 7.52 7.94 0.17 -4.86 117.00 124.38 1xke n LEU 56 Ca 0.12 0.03 -0.30 0.00 -1.11 0.00 0.00 56.01 54.75 1xke n LEU 56 Cb 0.44 -1.77 -0.15 0.00 0.53 0.00 0.00 43.42 42.46 1xke n LEU 56 CO 0.24 -0.63 -0.37 -0.75 -1.11 0.00 0.00 177.39 174.77 1xke s LYS 57 N -1.40 1.28 -0.23 1.96 2.36 -1.03 -4.84 119.74 117.84 1xke s LYS 57 Ca 0.00 -1.22 -0.38 0.00 -2.55 0.00 0.00 55.97 51.82 1xke s LYS 57 Cb 0.00 -2.55 -0.18 0.00 -1.05 0.00 0.00 37.83 34.05 1xke s LYS 57 CO 0.00 -0.80 1.18 1.55 1.55 0.00 0.00 175.35 178.83 1xke n VAL 58 N 4.63 0.00 -0.02 4.02 3.14 -1.26 -1.10 118.33 127.75 1xke n VAL 58 Ca -0.05 0.00 -0.00 0.00 -2.96 0.00 0.00 64.34 61.33 1xke n VAL 58 Cb 0.43 -0.23 -0.05 0.00 -1.06 0.00 0.00 33.84 32.93 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 -2.28 -0.23 -0.59 0.00 0.00 -1.20 -4.22 121.76 113.25 1xke s ALA 60 Ca -0.03 0.63 -0.09 0.00 0.00 0.00 0.00 51.96 52.48 1xke s ALA 60 Cb 0.03 -0.78 0.15 0.00 0.00 0.00 0.00 23.12 22.52 1xke s ALA 60 CO 0.26 -0.50 0.46 1.21 0.00 0.00 0.00 175.76 177.19 1xke s ASN 61 N 2.10 5.81 -0.20 0.00 2.47 -1.26 -2.29 114.94 121.57 1xke s ASN 61 Ca 0.01 -2.31 -0.09 0.00 0.42 0.00 0.00 52.86 50.88 1xke s ASN 61 Cb -0.12 -2.01 -0.04 0.00 -1.45 0.00 0.00 41.25 37.62 1xke s ASN 61 CO -0.06 -0.59 0.10 -2.28 -3.72 0.00 0.00 177.10 170.55 1xke s HIS 62 N 0.75 3.31 0.07 0.43 5.65 0.29 -4.50 115.29 121.29 1xke s HIS 62 Ca 0.11 0.16 -0.24 0.00 0.25 0.00 0.00 55.06 55.34 1xke s HIS 62 Cb -0.21 -2.15 -0.06 0.00 -1.18 0.00 0.00 32.58 28.97 1xke s HIS 62 CO -0.03 0.15 0.73 -1.58 -0.65 0.00 0.00 174.74 173.37 1xke s TRP 63 N 0.57 3.78 -0.49 3.88 0.51 -1.26 0.85 118.94 126.78 1xke s TRP 63 Ca 0.06 1.47 -0.17 0.00 -2.12 0.00 0.00 56.10 55.33 1xke s TRP 63 Cb -0.12 -2.76 0.06 0.00 -0.81 0.00 0.00 33.47 29.84 1xke s TRP 63 CO 0.01 0.36 0.51 -1.50 -0.51 0.00 0.00 176.95 175.82 1xke s ILE 64 N -0.41 5.05 0.10 2.03 -1.16 0.18 -4.92 121.20 122.08 1xke s ILE 64 Ca 0.36 -0.76 -0.05 0.00 -0.51 0.00 0.00 60.65 59.69 1xke s ILE 64 Cb -0.21 -4.21 -0.02 0.00 0.61 0.00 0.00 42.46 38.63 1xke s ILE 64 CO 0.23 -0.69 0.12 0.28 -2.81 0.00 0.00 174.94 172.07 1xke s THR 65 N 2.14 0.14 -1.75 4.00 -1.32 -1.26 -4.37 115.64 113.22 1xke s THR 65 Ca 0.10 -1.54 0.24 0.00 -1.21 0.00 0.00 61.69 59.27 1xke s THR 65 Cb -0.22 -1.62 0.56 0.00 -1.51 0.00 0.00 72.50 69.71 1xke s THR 65 CO 0.09 -0.65 1.78 0.35 -2.21 0.00 0.00 174.62 173.98 1xke n THR 66 N -0.05 0.12 1.39 5.08 -2.24 -1.26 -2.51 114.28 114.82 1xke n THR 66 Ca -0.11 0.03 0.14 0.00 -2.27 0.00 0.00 64.05 61.84 1xke n THR 66 Cb 0.62 -0.65 0.69 0.00 -2.10 0.00 0.00 70.33 68.89 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 -1.13 0.00 -4.26 4.28 -1.04 -1.26 -4.73 114.28 106.15 1xke n THR 67 Ca 0.15 -0.02 -0.14 0.00 -2.04 0.00 0.00 64.05 62.00 1xke n THR 67 Cb 0.13 -0.35 -0.10 0.00 -1.82 0.00 0.00 70.33 68.19 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 -2.57 1.14 0.02 -2.82 0.00 -1.04 -5.12 119.30 108.90 1xke s MET 68 Ca 0.27 -1.55 0.02 0.00 0.00 0.00 0.00 55.69 54.44 1xke s MET 68 Cb 0.20 -0.35 -0.01 0.00 0.00 0.00 0.00 34.83 34.67 1xke s MET 68 CO 0.48 -0.11 -0.07 1.21 0.00 0.00 0.00 175.02 176.52 1xke s ASN 69 N -3.19 0.83 -0.12 1.11 3.04 -1.26 -4.82 114.94 110.53 1xke s ASN 69 Ca 0.24 -0.32 -0.10 0.00 0.04 0.00 0.00 52.86 52.71 1xke s ASN 69 Cb 0.06 -0.03 -0.05 0.00 -1.54 0.00 0.00 41.25 39.69 1xke s ASN 69 CO 0.04 -0.05 0.22 -1.48 -3.04 0.00 0.00 177.10 172.79 1xke s LEU 70 N -0.84 4.33 -0.06 3.21 0.05 -1.26 -3.72 118.68 120.40 1xke s LEU 70 Ca -0.03 0.51 0.02 0.00 0.05 0.00 0.00 54.13 54.68 1xke s LEU 70 Cb -0.06 -2.23 0.02 0.00 -2.05 0.00 0.00 46.19 41.87 1xke s LEU 70 CO 0.00 0.28 -0.08 -0.75 -0.55 0.00 0.00 176.35 175.25 1xke s LYS 71 N -0.41 1.24 0.41 1.48 2.20 0.64 -4.94 119.74 120.36 1xke s LYS 71 Ca 0.15 -0.25 -0.25 0.00 -0.36 0.00 0.00 55.97 55.26 1xke s LYS 71 Cb -0.13 -1.11 -0.08 0.00 -1.51 0.00 0.00 37.83 35.00 1xke s LYS 71 CO 0.04 -0.03 1.21 -2.14 -0.36 0.00 0.00 175.35 174.07 1xke s PRO 72 N 0.81 3.99 0.74 4.03 0.02 -1.26 -0.10 135.00 143.23 1xke s PRO 72 Ca -0.12 1.92 -0.13 0.00 0.02 0.00 0.00 61.00 62.69 1xke s PRO 72 Cb -0.15 -2.67 0.04 0.00 0.02 0.00 0.00 34.50 31.74 1xke s PRO 72 CO 0.02 -0.40 1.11 -0.51 -0.33 0.00 0.00 177.00 176.89 1xke s LEU 73 N -2.54 3.18 0.14 -5.54 1.43 -0.80 -4.87 118.68 109.68 1xke s LEU 73 Ca 0.58 1.97 -0.31 0.00 -1.03 0.00 0.00 54.13 55.34 1xke s LEU 73 Cb -0.33 -4.54 -0.10 0.00 0.03 0.00 0.00 46.19 41.25 1xke s LEU 73 CO 0.41 -2.00 1.65 -0.44 0.23 0.00 0.00 176.35 176.20 1xke s SER 74 N -2.89 6.54 0.00 2.29 0.01 -1.26 -1.52 113.70 116.87 1xke s SER 74 Ca 0.65 2.63 0.00 0.00 1.31 0.00 0.00 55.95 60.54 1xke s SER 74 Cb -0.20 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.45 1xke s SER 74 CO 0.50 -0.89 0.00 0.61 0.41 0.00 0.00 173.24 173.87 1xke n GLY 75 N 3.93 2.70 3.90 3.44 0.00 -1.26 -4.98 105.19 112.91 1xke n GLY 75 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 1xke n GLY 75 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xke s SER 76 N -1.56 6.29 -0.10 1.61 0.01 -0.58 -4.98 113.70 114.39 1xke s SER 76 Ca 0.00 0.30 0.06 0.00 1.31 0.00 0.00 55.95 57.62 1xke s SER 76 Cb 0.00 -1.94 -0.10 0.00 0.21 0.00 0.00 66.02 64.18 1xke s SER 76 CO 0.00 0.23 -0.00 -0.90 0.41 0.00 0.00 173.24 172.98 1xke n ASP 77 N 0.75 2.86 -0.02 2.44 5.68 -1.26 -4.28 116.55 122.73 1xke n ASP 77 Ca -0.09 -0.02 0.00 0.00 -0.50 0.00 0.00 54.79 54.19 1xke n ASP 77 Cb 0.52 0.49 0.01 0.00 -1.14 0.00 0.00 41.12 41.00 1xke n ASP 77 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73 1xke n ARG 78 N -2.46 1.81 -4.24 0.11 3.00 -1.26 -4.84 116.66 108.78 1xke n ARG 78 Ca -0.16 -1.20 -0.35 0.00 -0.00 0.00 0.00 57.85 56.15 1xke n ARG 78 Cb 0.77 -0.84 -0.10 0.00 0.00 0.00 0.00 32.46 32.30 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 -0.72 3.31 0.12 5.13 0.00 -1.26 -4.31 121.76 124.03 1xke s ALA 79 Ca 0.02 -0.78 0.01 0.00 0.00 0.00 0.00 51.96 51.21 1xke s ALA 79 Cb 0.01 -1.66 -0.04 0.00 0.00 0.00 0.00 23.12 21.43 1xke s ALA 79 CO 0.00 0.40 -0.03 1.67 0.00 0.00 0.00 175.76 177.79 1xke s TRP 80 N -0.28 0.95 0.12 0.00 1.48 -1.16 -1.90 118.94 118.15 1xke s TRP 80 Ca 0.07 -0.98 0.06 0.00 -1.06 0.00 0.00 56.10 54.18 1xke s TRP 80 Cb -0.12 -0.55 -0.04 0.00 -1.16 0.00 0.00 33.47 31.60 1xke s TRP 80 CO 0.02 -0.22 -0.14 0.00 -4.06 0.00 0.00 176.95 172.55 1xke s MET 81 N -3.88 1.02 0.07 3.25 0.23 0.86 -1.67 119.30 119.19 1xke s MET 81 Ca 0.16 -1.25 0.03 0.00 -1.03 0.00 0.00 55.69 53.60 1xke s MET 81 Cb 0.06 -0.89 -0.03 0.00 -1.53 0.00 0.00 34.83 32.43 1xke s MET 81 CO -0.02 0.17 -0.08 1.67 -2.03 0.00 0.00 175.02 174.72 1xke s TRP 82 N -2.18 0.85 -0.23 3.16 -2.14 -0.32 -0.26 118.94 117.82 1xke s TRP 82 Ca 0.09 -0.65 -0.10 0.00 2.66 0.00 0.00 56.10 58.10 1xke s TRP 82 Cb -0.05 -0.49 -0.05 0.00 -3.10 0.00 0.00 33.47 29.79 1xke s TRP 82 CO 0.03 -0.08 0.14 -0.48 -2.66 0.00 0.00 176.95 173.90 1xke s LEU 83 N -2.21 4.04 0.02 -4.66 2.34 -1.24 -1.46 118.68 115.51 1xke s LEU 83 Ca 0.00 0.09 -0.09 0.00 0.06 0.00 0.00 54.13 54.20 1xke s LEU 83 Cb -0.04 -2.07 0.00 0.00 -0.56 0.00 0.00 46.19 43.52 1xke s LEU 83 CO -0.01 0.08 0.17 0.00 -1.06 0.00 0.00 176.35 175.53 1xke s ALA 84 N 0.97 -0.34 -0.53 1.48 0.00 0.33 -4.80 121.76 118.87 1xke s ALA 84 Ca 0.07 -0.23 -0.19 0.00 0.00 0.00 0.00 51.96 51.61 1xke s ALA 84 Cb -0.13 0.21 0.07 0.00 0.00 0.00 0.00 23.12 23.27 1xke s ALA 84 CO 0.04 -0.30 0.65 -1.54 0.00 0.00 0.00 175.76 174.61 1xke s SER 85 N -1.81 6.21 -0.12 0.00 1.04 -1.26 -1.26 113.70 116.50 1xke s SER 85 Ca -0.09 -1.09 -0.16 0.00 0.48 0.00 0.00 55.95 55.09 1xke s SER 85 Cb -0.03 -2.29 -0.05 0.00 0.10 0.00 0.00 66.02 63.75 1xke s SER 85 CO -0.02 -0.96 0.40 -0.62 0.98 0.00 0.00 173.24 173.02 1xke s ASP 86 N 3.00 6.61 -0.46 7.02 2.15 -1.02 -4.85 116.67 129.12 1xke s ASP 86 Ca 0.14 0.72 0.06 0.00 0.43 0.00 0.00 52.55 53.90 1xke s ASP 86 Cb -0.21 -2.24 0.31 0.00 -0.30 0.00 0.00 42.92 40.48 1xke s ASP 86 CO 0.10 0.09 1.05 0.33 -0.17 0.00 0.00 175.17 176.57 1xke n PHE 87 N 3.35 -2.72 -0.15 -5.34 7.35 -1.26 -3.33 117.46 115.36 1xke n PHE 87 Ca -0.10 -2.20 -0.08 0.00 -0.76 0.00 0.00 57.45 54.31 1xke n PHE 87 Cb 0.52 1.47 0.06 0.00 0.35 0.00 0.00 39.48 41.88 1xke n PHE 87 CO 0.00 0.00 0.00 0.77 -0.76 0.00 0.00 176.76 176.77 1xke h SER 88 N 3.17 0.92 0.00 -2.13 0.02 -1.87 -3.39 113.55 110.26 1xke h SER 88 Ca -0.09 -0.30 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 1xke h SER 88 Cb 1.08 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.37 1xke h SER 88 CO 0.19 1.04 0.00 -0.67 -1.14 0.00 0.00 176.83 176.25 1xke n ASP 89 N -4.15 0.00 -0.00 3.07 2.03 -1.26 -4.97 116.55 111.26 1xke n ASP 89 Ca 0.01 0.00 0.10 0.00 0.52 0.00 0.00 54.79 55.42 1xke n ASP 89 Cb 0.39 0.00 -0.13 0.00 -0.72 0.00 0.00 41.12 40.66 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 -0.94 0.20 0.27 0.00 -1.26 -4.98 105.19 98.47 1xke n GLY 90 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.77 -1.95 -4.55 1.61 2.03 -1.24 -4.83 116.55 105.86 1xke n ASP 91 Ca 0.01 0.00 -0.39 0.00 0.52 0.00 0.00 54.79 54.93 1xke n ASP 91 Cb 0.41 0.19 -0.03 0.00 -0.72 0.00 0.00 41.12 40.97 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 -0.58 2.37 0.05 -1.67 0.00 -1.21 -4.50 121.76 116.22 1xke s ALA 92 Ca 0.00 -0.86 0.02 0.00 0.00 0.00 0.00 51.96 51.12 1xke s ALA 92 Cb 0.00 -4.28 -0.03 0.00 0.00 0.00 0.00 23.12 18.81 1xke s ALA 92 CO 0.00 -3.67 -0.07 0.21 0.00 0.00 0.00 175.76 172.23 1xke s LYS 93 N 6.59 0.60 -0.21 0.00 2.47 -1.24 -5.01 119.74 122.93 1xke s LYS 93 Ca 0.57 -0.89 -0.08 0.00 -1.56 0.00 0.00 55.97 54.01 1xke s LYS 93 Cb -0.11 -0.26 -0.04 0.00 -1.46 0.00 0.00 37.83 35.96 1xke s LYS 93 CO 0.19 0.03 0.08 -0.48 0.16 0.00 0.00 175.35 175.33 1xke s LEU 94 N -1.93 3.70 0.09 5.43 0.05 -1.26 -2.42 118.68 122.33 1xke s LEU 94 Ca -0.05 -0.03 -0.03 0.00 0.05 0.00 0.00 54.13 54.07 1xke s LEU 94 Cb -0.06 -1.96 -0.03 0.00 -2.05 0.00 0.00 46.19 42.08 1xke s LEU 94 CO -0.01 0.08 0.06 -0.70 -0.55 0.00 0.00 176.35 175.24 1xke s GLU 95 N 0.92 0.80 -0.37 1.48 2.12 -0.39 -4.94 118.70 118.32 1xke s GLU 95 Ca 0.04 -1.23 -0.13 0.00 0.36 0.00 0.00 54.97 54.00 1xke s GLU 95 Cb -0.14 0.26 0.00 0.00 0.26 0.00 0.00 34.13 34.51 1xke s GLU 95 CO 0.03 -0.21 0.25 -0.65 -0.54 0.00 0.00 175.26 174.14 1xke s GLN 96 N -3.95 3.23 0.14 4.30 -0.21 -1.26 -0.51 119.66 121.40 1xke s GLN 96 Ca 0.13 -0.83 0.10 0.00 0.02 0.00 0.00 55.36 54.78 1xke s GLN 96 Cb 0.07 -3.85 -0.04 0.00 1.00 0.00 0.00 33.01 30.19 1xke s GLN 96 CO -0.06 -0.58 -0.19 -0.48 -2.12 0.00 0.00 175.29 171.87 1xke s LEU 97 N 1.69 2.65 0.26 2.90 2.34 -0.53 -2.99 118.68 124.99 1xke s LEU 97 Ca 0.05 -0.63 0.08 0.00 0.06 0.00 0.00 54.13 53.69 1xke s LEU 97 Cb -0.18 -1.46 -0.05 0.00 -0.56 0.00 0.00 46.19 43.93 1xke s LEU 97 CO 0.10 0.16 -0.12 0.00 -1.06 0.00 0.00 176.35 175.42 1xke s ALA 98 N -1.30 2.36 -0.08 1.48 0.00 -0.66 -1.18 121.76 122.38 1xke s ALA 98 Ca 0.19 -1.83 -0.10 0.00 0.00 0.00 0.00 51.96 50.22 1xke s ALA 98 Cb -0.10 -0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.02 1xke s ALA 98 CO 0.10 0.06 0.26 0.00 0.00 0.00 0.00 175.76 176.19 1xke s ALA 99 N -2.86 -0.65 0.02 0.00 0.00 -0.67 0.18 121.76 117.77 1xke s ALA 99 Ca 0.27 0.64 0.02 0.00 0.00 0.00 0.00 51.96 52.89 1xke s ALA 99 Cb 0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 23.12 22.77 1xke s ALA 99 CO 0.11 -0.15 -0.07 -1.59 0.00 0.00 0.00 175.76 174.06 1xke s LYS 100 N -0.15 0.49 0.30 0.00 -2.85 -0.98 -3.01 119.74 113.53 1xke s LYS 100 Ca -0.03 -0.44 0.01 0.00 -1.00 0.00 0.00 55.97 54.52 1xke s LYS 100 Cb -0.03 -0.38 -0.03 0.00 -2.06 0.00 0.00 37.83 35.32 1xke s LYS 100 CO 0.01 0.09 0.48 -0.06 0.10 0.00 0.00 175.35 175.97 1xke s PHE 101 N -0.66 3.49 0.44 1.78 0.40 -1.26 -2.14 117.98 120.03 1xke s PHE 101 Ca -0.03 0.26 0.16 0.00 -0.60 0.00 0.00 56.93 56.72 1xke s PHE 101 Cb -0.05 -1.81 1.08 0.00 0.51 0.00 0.00 43.02 42.74 1xke s PHE 101 CO 0.00 0.24 1.95 0.87 0.70 0.00 0.00 175.22 178.98 1xke h LYS 102 N 1.04 0.36 -3.69 0.44 6.56 -1.96 -3.43 116.57 115.89 1xke h LYS 102 Ca -0.50 -0.02 -0.13 0.00 -1.06 0.00 0.00 60.65 58.93 1xke h LYS 102 Cb 1.22 -0.08 -0.19 0.00 -0.57 0.00 0.00 32.23 32.61 1xke h LYS 102 CO 0.62 0.24 -0.51 -0.08 -2.06 0.00 0.00 179.45 177.66 1xke s THR 103 N -5.36 0.11 -0.95 -0.16 -1.32 -1.26 -5.00 115.64 101.70 1xke s THR 103 Ca -0.08 -0.92 0.00 0.00 -1.21 0.00 0.00 61.69 59.49 1xke s THR 103 Cb 0.20 -0.68 0.00 0.00 -1.51 0.00 0.00 72.50 70.51 1xke s THR 103 CO 0.76 -0.51 0.80 -2.65 -2.21 0.00 0.00 174.62 170.81 1xke n PRO 104 N 1.06 0.00 0.06 7.08 -0.02 -1.26 -0.67 135.00 141.25 1xke n PRO 104 Ca -0.21 0.32 -0.12 0.00 -2.02 0.00 0.00 63.50 61.47 1xke n PRO 104 Cb 0.57 -1.58 -0.09 0.00 -0.02 0.00 0.00 33.50 32.38 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 -0.18 -0.12 -0.52 4.81 -1.95 0.64 114.58 117.26 1xke h GLU 105 Ca 0.00 0.01 -0.23 0.00 -0.13 0.00 0.00 59.36 59.01 1xke h GLU 105 Cb 0.16 0.04 0.01 0.00 0.63 0.00 0.00 28.75 29.60 1xke h GLU 105 CO 0.00 0.24 -0.84 -0.07 -0.73 0.00 0.00 179.01 177.61 1xke h LEU 106 N -0.69 0.94 -0.23 1.64 3.38 -1.56 -0.93 115.31 117.86 1xke h LEU 106 Ca -0.02 -0.65 -0.06 0.00 0.09 0.00 0.00 57.88 57.23 1xke h LEU 106 Cb 0.51 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1xke h LEU 106 CO 0.03 1.45 -0.11 0.00 0.09 0.00 0.00 178.44 179.91 1xke h ALA 107 N 0.51 0.33 -0.17 1.53 0.00 -0.99 -2.62 119.26 117.85 1xke h ALA 107 Ca -0.07 -0.30 -0.11 0.00 0.00 0.00 0.00 54.91 54.43 1xke h ALA 107 Cb 1.48 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1xke h ALA 107 CO 0.17 0.17 -0.34 1.49 0.00 0.00 0.00 179.25 180.74 1xke h GLU 108 N 0.20 0.53 -0.58 0.00 4.81 0.48 -0.30 114.58 119.71 1xke h GLU 108 Ca 0.05 -0.34 0.04 0.00 -0.13 0.00 0.00 59.36 58.98 1xke h GLU 108 Cb 0.60 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.98 1xke h GLU 108 CO 0.03 0.95 0.32 0.93 -0.73 0.00 0.00 179.01 180.52 1xke h GLU 109 N 0.17 0.60 -0.36 1.92 4.39 -1.26 -2.25 114.58 117.79 1xke h GLU 109 Ca 0.01 -0.04 -0.16 0.00 0.34 0.00 0.00 59.36 59.51 1xke h GLU 109 Cb 0.94 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.45 1xke h GLU 109 CO 0.08 0.40 -0.38 0.35 -1.16 0.00 0.00 179.01 178.29 1xke h PHE 110 N 0.62 1.08 0.09 4.33 3.04 -1.38 -2.61 116.94 122.11 1xke h PHE 110 Ca 0.25 -0.33 0.01 0.00 3.98 0.00 0.00 57.97 61.88 1xke h PHE 110 Cb 0.12 -0.22 -0.02 0.00 2.56 0.00 0.00 35.95 38.39 1xke h PHE 110 CO -0.08 1.15 -0.15 -0.22 -2.02 0.00 0.00 178.31 176.99 1xke h LYS 111 N 0.70 -0.28 0.12 1.11 3.11 -0.59 0.42 116.57 121.16 1xke h LYS 111 Ca 0.05 0.02 -0.01 0.00 -2.81 0.00 0.00 60.65 57.91 1xke h LYS 111 Cb 0.98 0.06 0.00 0.00 -1.00 0.00 0.00 32.23 32.27 1xke h LYS 111 CO 0.09 -0.19 -0.06 1.96 -2.81 0.00 0.00 179.45 178.45 1xke h GLN 112 N -0.29 -0.16 -0.27 1.90 1.08 -1.44 -2.29 115.11 113.64 1xke h GLN 112 Ca 0.02 0.01 -0.06 0.00 -1.45 0.00 0.00 58.65 57.17 1xke h GLN 112 Cb 0.30 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.75 1xke h GLN 112 CO -0.08 -0.05 -0.11 0.87 -0.95 0.00 0.00 178.83 178.52 1xke h LYS 113 N -0.23 0.45 0.46 1.46 1.57 -1.29 -1.67 116.57 117.32 1xke h LYS 113 Ca -0.02 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.62 1xke h LYS 113 Cb 0.18 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1xke h LYS 113 CO 0.03 0.56 -0.22 0.35 -0.57 0.00 0.00 179.45 179.60 1xke h PHE 114 N 0.42 -0.57 -0.62 -1.35 3.04 0.16 0.20 116.94 118.21 1xke h PHE 114 Ca 0.08 -0.01 -0.04 0.00 3.98 0.00 0.00 57.97 61.98 1xke h PHE 114 Cb 0.45 0.19 -0.03 0.00 2.56 0.00 0.00 35.95 39.12 1xke h PHE 114 CO 0.01 -0.34 0.24 0.93 -2.02 0.00 0.00 178.31 177.14 1xke h GLU 115 N -0.65 0.94 -0.54 1.11 5.08 -1.26 -0.64 114.58 118.62 1xke h GLU 115 Ca -0.06 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.12 1xke h GLU 115 Cb 0.49 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 1xke h GLU 115 CO 0.10 0.80 0.32 1.49 -1.00 0.00 0.00 179.01 180.73 1xke h GLU 116 N 0.88 0.74 -0.52 2.33 4.57 -1.13 -0.32 114.58 121.13 1xke h GLU 116 Ca 0.21 -0.07 -0.02 0.00 -1.18 0.00 0.00 59.36 58.30 1xke h GLU 116 Cb 0.22 -0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 28.63 1xke h GLU 116 CO -0.02 0.54 0.24 0.00 -1.18 0.00 0.00 179.01 178.60 1xke h GLN 118 N 0.72 -0.10 -0.05 0.00 4.20 0.51 0.11 115.11 120.50 1xke h GLN 118 Ca 0.18 0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.85 1xke h GLN 118 Cb 0.08 0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.89 1xke h GLN 118 CO -0.02 -0.07 -0.17 0.00 -0.67 0.00 0.00 178.83 177.89 1xke h ARG 119 N -0.11 0.20 -0.00 1.46 -0.00 -0.99 -3.36 114.38 111.58 1xke h ARG 119 Ca 0.03 -0.15 -0.10 0.00 -0.50 0.00 0.00 59.98 59.26 1xke h ARG 119 Cb 0.15 0.03 0.01 0.00 0.00 0.00 0.00 29.97 30.16 1xke h ARG 119 CO -0.08 0.79 -0.38 -0.07 0.00 0.00 0.00 179.97 180.23 1xke h LEU 120 N -0.34 0.34 -2.82 3.04 4.07 -0.56 -3.37 115.31 115.67 1xke h LEU 120 Ca -0.01 -0.77 0.00 0.00 0.08 0.00 0.00 57.88 57.18 1xke h LEU 120 Cb 0.81 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 42.45 1xke h LEU 120 CO 0.04 1.06 0.00 0.25 -1.08 0.00 0.00 178.44 178.71 1xke h LEU 121 N -0.35 0.00 -0.73 1.67 5.85 -0.93 0.13 115.31 120.94 1xke h LEU 121 Ca -0.05 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.63 1xke h LEU 121 Cb 1.12 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.12 1xke h LEU 121 CO 0.07 0.00 0.28 -0.07 -0.34 0.00 0.00 178.44 178.39 1xke h LEU 122 N 0.00 1.02 0.00 2.25 3.38 -1.74 -3.31 115.31 116.91 1xke h LEU 122 Ca 0.00 -0.18 -0.26 0.00 0.09 0.00 0.00 57.88 57.53 1xke h LEU 122 Cb 0.05 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.48 1xke h LEU 122 CO 0.00 0.92 -2.00 -0.67 0.09 0.00 0.00 178.44 176.79 1xke n ASP 123 N -4.33 1.52 -4.63 -0.43 2.03 0.40 -4.92 116.55 106.20 1xke n ASP 123 Ca 0.06 -0.01 -0.39 0.00 0.52 0.00 0.00 54.79 54.97 1xke n ASP 123 Cb 0.19 0.77 -0.08 0.00 -0.72 0.00 0.00 41.12 41.28 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 -2.35 5.13 0.24 5.18 -5.25 -0.81 -5.04 121.20 118.29 1xke s ILE 124 Ca -0.08 0.77 -0.30 0.00 -0.99 0.00 0.00 60.65 60.05 1xke s ILE 124 Cb 0.04 -3.77 -0.09 0.00 2.95 0.00 0.00 42.46 41.59 1xke s ILE 124 CO 0.58 0.15 1.26 -2.16 -1.79 0.00 0.00 174.94 172.97 1xke s PRO 125 N 1.97 4.44 -0.34 0.37 0.04 -1.26 -4.63 135.00 135.59 1xke s PRO 125 Ca 0.19 2.02 -0.01 0.00 0.04 0.00 0.00 61.00 63.24 1xke s PRO 125 Cb -0.15 -3.18 0.13 0.00 0.04 0.00 0.00 34.50 31.34 1xke s PRO 125 CO 0.09 -0.13 0.18 -1.17 0.04 0.00 0.00 177.00 176.01 1xke s LEU 126 N -0.70 1.03 -0.15 -3.56 0.20 -1.26 -5.10 118.68 109.14 1xke s LEU 126 Ca 0.52 -1.92 -0.00 0.00 0.69 0.00 0.00 54.13 53.42 1xke s LEU 126 Cb -0.36 -0.45 -0.01 0.00 -0.43 0.00 0.00 46.19 44.95 1xke s LEU 126 CO 0.41 -0.35 -0.14 -1.10 -0.29 0.00 0.00 176.35 174.88 1xke s GLN 127 N 1.35 3.27 0.05 1.98 -1.52 -1.26 -4.95 119.66 118.59 1xke s GLN 127 Ca 0.15 -0.73 -0.30 0.00 -1.95 0.00 0.00 55.36 52.53 1xke s GLN 127 Cb -0.21 -2.64 -0.05 0.00 -0.22 0.00 0.00 33.01 29.89 1xke s GLN 127 CO -0.12 0.07 1.02 0.99 -0.25 0.00 0.00 175.29 177.01 1xke s THR 128 N 0.70 4.54 0.72 -0.19 2.01 -1.26 -5.01 115.64 117.15 1xke s THR 128 Ca -0.07 1.92 -0.16 0.00 0.31 0.00 0.00 61.69 63.69 1xke s THR 128 Cb -0.15 -4.23 0.03 0.00 0.01 0.00 0.00 72.50 68.16 1xke s THR 128 CO 0.02 0.20 1.24 -2.16 -0.69 0.00 0.00 174.62 173.23 1xke s PRO 129 N 0.66 2.13 0.00 4.92 0.04 -1.26 -5.23 135.00 136.25 1xke s PRO 129 Ca 0.52 1.89 0.00 0.00 0.04 0.00 0.00 61.00 63.44 1xke s PRO 129 Cb -0.24 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.48 1xke s PRO 129 CO 0.29 -1.87 0.06 1.17 0.04 0.00 0.00 177.00 176.69