#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 1.98 -2.62 1.61 3.41 -1.26 -4.80 113.62 111.94 1xke n SER 2 Ca 0.00 0.19 -0.04 0.00 -0.26 0.00 0.00 58.87 58.76 1xke n SER 2 Cb 0.00 -0.75 0.11 0.00 -0.26 0.00 0.00 64.21 63.31 1xke n SER 2 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xke n GLY 3 N 1.74 1.41 0.59 5.00 0.00 -1.26 -4.93 105.19 107.74 1xke n GLY 3 Ca -0.43 -0.13 0.06 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.99 2.23 -4.13 1.61 4.71 -1.26 -4.95 120.64 117.86 1xke n GLU 4 Ca -0.11 -1.81 -0.11 0.00 -0.01 0.00 0.00 57.16 55.11 1xke n GLU 4 Cb 0.83 -1.26 -0.08 0.00 -1.01 0.00 0.00 31.44 29.93 1xke n GLU 4 CO 0.00 0.00 0.00 -1.83 0.09 0.00 0.00 177.13 175.39 1xke s GLU 5 N -0.98 1.38 0.00 3.49 1.03 -1.26 -4.93 118.70 117.43 1xke s GLU 5 Ca 0.21 -1.52 0.00 0.00 0.03 0.00 0.00 54.97 53.69 1xke s GLU 5 Cb 0.11 0.35 0.00 0.00 -0.80 0.00 0.00 34.13 33.80 1xke s GLU 5 CO 0.15 -0.51 0.00 -3.47 -1.33 0.00 0.00 175.26 170.10 1xke n ASP 6 N -0.42 0.00 -4.87 0.83 2.03 -1.26 -5.06 116.55 107.80 1xke n ASP 6 Ca 0.01 0.00 -0.37 0.00 0.52 0.00 0.00 54.79 54.95 1xke n ASP 6 Cb 0.64 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.98 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 0.00 3.60 0.21 -0.67 1.03 -1.26 -1.49 118.70 120.12 1xke s GLU 7 Ca 0.00 0.02 0.09 0.00 0.03 0.00 0.00 54.97 55.11 1xke s GLU 7 Cb 0.00 -3.17 -0.04 0.00 -0.80 0.00 0.00 34.13 30.12 1xke s GLU 7 CO 0.00 0.73 -0.04 -1.59 -1.33 0.00 0.00 175.26 173.03 1xke s LYS 8 N -1.21 2.24 -0.23 -4.83 -2.85 0.33 -4.70 119.74 108.49 1xke s LYS 8 Ca 0.20 -1.29 -0.29 0.00 -1.00 0.00 0.00 55.97 53.59 1xke s LYS 8 Cb -0.13 -2.21 0.00 0.00 -2.06 0.00 0.00 37.83 33.43 1xke s LYS 8 CO 0.09 0.41 1.13 0.08 0.10 0.00 0.00 175.35 177.16 1xke s VAL 9 N -1.96 4.50 -0.08 1.79 1.01 -1.25 -0.30 120.40 124.10 1xke s VAL 9 Ca 0.28 1.80 -0.05 0.00 0.00 0.00 0.00 61.98 64.01 1xke s VAL 9 Cb -0.08 -4.22 -0.02 0.00 0.00 0.00 0.00 36.38 32.06 1xke s VAL 9 CO 0.18 -0.23 -0.10 0.25 0.00 0.00 0.00 175.10 175.20 1xke h LEU 10 N 9.72 0.00 -7.32 3.92 6.46 -1.19 -3.48 115.31 123.41 1xke h LEU 10 Ca -0.22 0.00 -0.09 0.00 -0.12 0.00 0.00 57.88 57.45 1xke h LEU 10 Cb 1.08 0.00 -0.19 0.00 -0.73 0.00 0.00 40.66 40.81 1xke h LEU 10 CO 0.99 0.42 -0.10 -0.47 -0.62 0.00 0.00 178.44 178.66 1xke s TYR 11 N -1.69 -0.36 -0.08 1.25 5.04 -1.26 -5.00 117.35 115.26 1xke s TYR 11 Ca -0.08 0.57 0.01 0.00 -2.44 0.00 0.00 57.07 55.13 1xke s TYR 11 Cb 0.01 0.22 0.02 0.00 0.35 0.00 0.00 41.96 42.56 1xke s TYR 11 CO 0.12 -0.48 -0.10 -1.54 -1.34 0.00 0.00 175.55 172.21 1xke s SER 12 N -1.33 1.82 0.07 4.32 1.04 -1.25 -1.09 113.70 117.27 1xke s SER 12 Ca -0.12 -0.28 -0.14 0.00 0.48 0.00 0.00 55.95 55.89 1xke s SER 12 Cb -0.03 -0.80 0.02 0.00 0.10 0.00 0.00 66.02 65.31 1xke s SER 12 CO 0.06 -0.02 0.31 -1.58 0.98 0.00 0.00 173.24 172.99 1xke s GLN 13 N 1.00 0.88 0.20 4.02 -0.44 0.52 -4.90 119.66 120.94 1xke s GLN 13 Ca -0.08 -0.62 -0.30 0.00 -2.50 0.00 0.00 55.36 51.86 1xke s GLN 13 Cb -0.15 0.38 -0.08 0.00 -1.64 0.00 0.00 33.01 31.52 1xke s GLN 13 CO -0.00 -0.30 1.08 1.03 0.50 0.00 0.00 175.29 177.60 1xke s ARG 14 N -3.05 4.63 0.23 1.67 0.52 -1.26 0.12 118.95 121.81 1xke s ARG 14 Ca -0.01 1.70 -0.04 0.00 -0.52 0.00 0.00 55.73 56.85 1xke s ARG 14 Cb 0.01 -3.26 -0.03 0.00 0.52 0.00 0.00 34.95 32.19 1xke s ARG 14 CO -0.07 0.15 0.27 0.54 0.02 0.00 0.00 175.30 176.21 1xke s VAL 15 N -0.51 0.00 -0.08 3.52 0.11 0.49 -4.75 120.40 119.18 1xke s VAL 15 Ca 0.47 -1.79 0.04 0.00 -2.93 0.00 0.00 61.98 57.78 1xke s VAL 15 Cb -0.29 -2.41 -0.01 0.00 -1.53 0.00 0.00 36.38 32.13 1xke s VAL 15 CO 0.36 0.00 -0.21 -0.54 -3.33 0.00 0.00 175.10 171.37 1xke s LYS 16 N -4.02 2.86 0.02 1.54 1.02 -0.61 -0.80 119.74 119.76 1xke s LYS 16 Ca 0.33 -0.83 0.03 0.00 0.02 0.00 0.00 55.97 55.52 1xke s LYS 16 Cb 0.04 -2.32 -0.04 0.00 -0.52 0.00 0.00 37.83 35.00 1xke s LYS 16 CO 0.12 0.31 -0.04 -1.17 -0.92 0.00 0.00 175.35 173.65 1xke s LEU 17 N 0.04 3.29 0.13 3.17 2.96 0.16 -2.19 118.68 126.24 1xke s LEU 17 Ca -0.08 -0.14 0.05 0.00 -0.22 0.00 0.00 54.13 53.74 1xke s LEU 17 Cb -0.15 -1.93 -0.04 0.00 0.50 0.00 0.00 46.19 44.57 1xke s LEU 17 CO 0.05 0.26 -0.12 -0.36 -1.32 0.00 0.00 176.35 174.86 1xke s PHE 18 N -1.09 1.29 0.07 5.38 0.40 0.75 0.77 117.98 125.56 1xke s PHE 18 Ca 0.19 -0.64 0.08 0.00 -0.60 0.00 0.00 56.93 55.96 1xke s PHE 18 Cb -0.11 -0.67 -0.04 0.00 0.51 0.00 0.00 43.02 42.71 1xke s PHE 18 CO 0.10 0.10 -0.18 0.50 0.70 0.00 0.00 175.22 176.44 1xke s ARG 19 N -3.07 1.95 -0.35 0.44 3.52 0.13 -1.84 118.95 119.74 1xke s ARG 19 Ca 0.11 -1.06 -0.13 0.00 -0.13 0.00 0.00 55.73 54.52 1xke s ARG 19 Cb -0.02 -2.16 -0.01 0.00 -1.56 0.00 0.00 34.95 31.20 1xke s ARG 19 CO 0.02 0.52 0.25 0.12 -0.81 0.00 0.00 175.30 175.39 1xke s PHE 20 N -1.01 3.23 -0.21 5.12 2.19 -0.81 0.22 117.98 126.71 1xke s PHE 20 Ca 0.16 -0.26 -0.02 0.00 0.33 0.00 0.00 56.93 57.14 1xke s PHE 20 Cb -0.11 -2.49 0.01 0.00 -1.31 0.00 0.00 43.02 39.12 1xke s PHE 20 CO 0.07 -0.39 -0.10 0.34 1.83 0.00 0.00 175.22 176.97 1xke s ASP 21 N 1.72 3.92 0.32 6.13 -1.08 0.15 -4.77 116.67 123.07 1xke s ASP 21 Ca 0.06 -0.56 0.08 0.00 -0.52 0.00 0.00 52.55 51.61 1xke s ASP 21 Cb -0.18 -1.64 0.56 0.00 -1.46 0.00 0.00 42.92 40.20 1xke s ASP 21 CO 0.10 -0.03 1.76 0.00 0.52 0.00 0.00 175.17 177.52 1xke h ALA 22 N 8.04 1.23 0.00 3.66 0.00 -1.91 0.88 119.26 131.16 1xke h ALA 22 Ca -0.41 -0.37 -0.10 0.00 0.00 0.00 0.00 54.91 54.03 1xke h ALA 22 Cb 1.14 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1xke h ALA 22 CO 0.61 0.53 -0.48 0.93 0.00 0.00 0.00 179.25 180.84 1xke h GLU 23 N 0.16 0.00 -0.00 0.00 4.39 -1.95 -2.03 114.58 115.15 1xke h GLU 23 Ca 0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1xke h GLU 23 Cb 0.71 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.36 1xke h GLU 23 CO 0.05 0.48 -0.67 0.28 -1.16 0.00 0.00 179.01 177.99 1xke n VAL 24 N -3.66 0.00 -2.26 3.13 0.31 -0.78 -4.91 118.33 110.16 1xke n VAL 24 Ca -0.01 -0.01 -0.13 0.00 -0.01 0.00 0.00 64.34 64.19 1xke n VAL 24 Cb 0.55 0.55 -0.01 0.00 -0.91 0.00 0.00 33.84 34.02 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 -1.43 -3.87 -3.81 4.52 7.64 0.24 -4.92 113.62 111.99 1xke n SER 25 Ca 0.05 0.21 -0.11 0.00 1.01 0.00 0.00 58.87 60.03 1xke n SER 25 Cb 0.34 -3.34 -0.08 0.00 -1.01 0.00 0.00 64.21 60.12 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 -4.70 0.72 -0.61 1.43 0.74 0.21 -4.90 119.66 112.56 1xke s GLN 26 Ca 0.00 -0.56 -0.26 0.00 0.05 0.00 0.00 55.36 54.60 1xke s GLN 26 Cb 0.00 0.30 0.04 0.00 1.10 0.00 0.00 33.01 34.45 1xke s GLN 26 CO 0.00 -0.21 1.07 1.67 -0.55 0.00 0.00 175.29 177.27 1xke s TRP 27 N -2.45 2.64 0.00 1.67 -2.14 -1.24 0.33 118.94 117.74 1xke s TRP 27 Ca -0.06 0.02 0.07 0.00 2.66 0.00 0.00 56.10 58.79 1xke s TRP 27 Cb -0.01 -4.32 -0.02 0.00 -3.10 0.00 0.00 33.47 26.01 1xke s TRP 27 CO -0.03 -1.59 -0.21 0.21 -2.66 0.00 0.00 176.95 172.68 1xke s LYS 28 N 4.55 1.59 0.13 3.25 2.36 0.13 -4.84 119.74 126.92 1xke s LYS 28 Ca 0.33 -0.79 -0.35 0.00 -2.55 0.00 0.00 55.97 52.61 1xke s LYS 28 Cb -0.11 -1.59 -0.16 0.00 -1.05 0.00 0.00 37.83 34.93 1xke s LYS 28 CO 0.19 0.43 1.38 -0.85 1.55 0.00 0.00 175.35 178.04 1xke n GLU 29 N 2.38 1.47 -0.11 4.03 -0.00 -1.26 0.19 120.64 127.34 1xke n GLU 29 Ca -0.16 0.53 -0.18 0.00 -0.00 0.00 0.00 57.16 57.36 1xke n GLU 29 Cb 0.53 -2.18 -0.13 0.00 -0.00 0.00 0.00 31.44 29.66 1xke n GLU 29 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 1xke n ARG 30 N 2.58 0.67 0.00 3.44 0.63 0.23 -4.70 116.66 119.50 1xke n ARG 30 Ca 0.17 0.15 0.00 0.00 -0.92 0.00 0.00 57.85 57.25 1xke n ARG 30 Cb 0.23 -1.55 0.00 0.00 0.45 0.00 0.00 32.46 31.59 1xke n ARG 30 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1xke n GLY 31 N 2.17 1.45 3.68 5.14 0.00 -1.06 -5.00 105.19 111.56 1xke n GLY 31 Ca -0.42 -0.09 -0.33 0.00 0.00 0.00 0.00 46.02 45.18 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 3.48 0.00 0.99 2.01 -1.26 0.37 118.68 124.27 1xke s LEU 32 Ca 0.00 -0.02 0.00 0.00 0.01 0.00 0.00 54.13 54.12 1xke s LEU 32 Cb 0.00 -2.00 0.00 0.00 0.01 0.00 0.00 46.19 44.20 1xke s LEU 32 CO 0.00 0.28 0.00 0.61 1.01 0.00 0.00 176.35 178.25 1xke n GLY 33 N 1.42 0.69 3.10 -3.19 0.00 0.02 -4.40 105.19 102.84 1xke n GLY 33 Ca -0.15 0.20 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 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 2.50 -0.25 1.61 2.47 0.50 -0.38 114.94 123.39 1xke s ASN 34 Ca 0.00 -0.45 -0.20 0.00 0.42 0.00 0.00 52.86 52.63 1xke s ASN 34 Cb 0.00 -1.14 -0.02 0.00 -1.45 0.00 0.00 41.25 38.64 1xke s ASN 34 CO 0.00 0.07 0.63 -0.22 -3.72 0.00 0.00 177.10 173.86 1xke s LEU 35 N 0.70 4.06 -0.11 3.21 0.20 0.32 -1.38 118.68 125.69 1xke s LEU 35 Ca -0.12 0.71 -0.01 0.00 0.69 0.00 0.00 54.13 55.39 1xke s LEU 35 Cb -0.16 -2.86 -0.03 0.00 -0.43 0.00 0.00 46.19 42.71 1xke s LEU 35 CO 0.03 -0.37 -0.04 -0.75 -0.29 0.00 0.00 176.35 174.92 1xke s LYS 36 N 2.51 3.16 -0.18 1.98 2.20 0.27 -0.36 119.74 129.34 1xke s LYS 36 Ca 0.26 -0.51 -0.03 0.00 -0.36 0.00 0.00 55.97 55.33 1xke s LYS 36 Cb -0.15 -2.76 -0.02 0.00 -1.51 0.00 0.00 37.83 33.39 1xke s LYS 36 CO 0.08 0.50 -0.05 0.42 -0.36 0.00 0.00 175.35 175.95 1xke s ILE 37 N -0.36 3.64 -0.12 5.43 -1.09 -0.25 -0.82 121.20 127.63 1xke s ILE 37 Ca 0.06 -0.43 -0.01 0.00 -2.23 0.00 0.00 60.65 58.04 1xke s ILE 37 Cb -0.12 -2.61 -0.02 0.00 -1.58 0.00 0.00 42.46 38.12 1xke s ILE 37 CO 0.02 0.47 -0.10 -0.76 -1.23 0.00 0.00 174.94 173.34 1xke s LEU 38 N 0.76 2.94 -0.09 2.97 1.43 -0.64 -0.54 118.68 125.51 1xke s LEU 38 Ca -0.02 -0.21 0.02 0.00 -1.03 0.00 0.00 54.13 52.89 1xke s LEU 38 Cb -0.15 -1.67 0.01 0.00 0.03 0.00 0.00 46.19 44.42 1xke s LEU 38 CO 0.02 0.21 -0.15 -0.75 0.23 0.00 0.00 176.35 175.92 1xke s LYS 39 N 0.07 2.08 0.51 1.70 2.36 0.59 -0.15 119.74 126.90 1xke s LYS 39 Ca -0.03 -0.52 -0.22 0.00 -2.55 0.00 0.00 55.97 52.64 1xke s LYS 39 Cb -0.14 -1.73 -0.06 0.00 -1.05 0.00 0.00 37.83 34.86 1xke s LYS 39 CO 0.04 -0.00 1.30 -0.80 1.55 0.00 0.00 175.35 177.43 1xke s ASN 40 N 0.81 5.58 0.47 1.43 -0.87 -1.13 -0.51 114.94 120.72 1xke s ASN 40 Ca -0.11 2.62 0.27 0.00 -1.57 0.00 0.00 52.86 54.07 1xke s ASN 40 Cb -0.16 -2.63 0.98 0.00 -0.02 0.00 0.00 41.25 39.43 1xke s ASN 40 CO 0.02 -1.35 1.84 -0.33 -2.57 0.00 0.00 177.10 174.71 1xke h GLU 41 N 1.68 0.00 0.00 -0.60 4.39 -1.63 -0.00 114.58 118.42 1xke h GLU 41 Ca -0.50 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.18 1xke h GLU 41 Cb 1.28 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.93 1xke h GLU 41 CO 0.58 0.13 -0.07 0.28 -1.16 0.00 0.00 179.01 178.78 1xke h VAL 42 N 0.00 0.14 -5.32 3.13 2.07 -1.91 -3.46 116.25 110.90 1xke h VAL 42 Ca -0.00 -0.95 -0.41 0.00 0.82 0.00 0.00 66.70 66.16 1xke h VAL 42 Cb 0.72 1.83 0.06 0.00 -1.52 0.00 0.00 31.29 32.38 1xke h VAL 42 CO 0.02 0.07 -0.65 -3.20 0.02 0.00 0.00 177.57 173.83 1xke n ASN 43 N -3.14 -5.81 0.03 0.57 5.15 -0.02 -4.94 115.26 107.11 1xke n ASN 43 Ca 0.02 -0.46 -0.02 0.00 -0.60 0.00 0.00 54.58 53.52 1xke n ASN 43 Cb 0.46 -4.64 -0.01 0.00 -0.53 0.00 0.00 39.78 35.05 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 -1.91 -0.14 -2.65 8.20 0.00 -1.90 -3.45 103.07 101.21 1xke h GLY 44 Ca -0.54 0.05 -0.30 0.00 0.00 0.00 0.00 47.33 46.54 1xke h GLY 44 CO 0.58 -0.05 -0.66 0.54 0.00 0.00 0.00 176.54 176.95 1xke s LYS 45 N -1.91 1.15 0.15 4.80 3.01 -1.26 -4.72 119.74 120.97 1xke s LYS 45 Ca -0.02 -1.56 0.10 0.00 -1.01 0.00 0.00 55.97 53.48 1xke s LYS 45 Cb 0.00 -0.29 -0.04 0.00 -1.01 0.00 0.00 37.83 36.49 1xke s LYS 45 CO 0.06 -0.14 -0.21 -1.17 0.51 0.00 0.00 175.35 174.40 1xke s LEU 46 N -3.20 2.57 0.08 3.17 0.20 -1.26 -2.83 118.68 117.42 1xke s LEU 46 Ca 0.26 -0.71 0.09 0.00 0.69 0.00 0.00 54.13 54.46 1xke s LEU 46 Cb 0.06 -1.36 -0.03 0.00 -0.43 0.00 0.00 46.19 44.42 1xke s LEU 46 CO 0.05 0.15 -0.23 -0.13 -0.29 0.00 0.00 176.35 175.90 1xke s ARG 47 N -2.40 1.36 -0.17 1.98 1.81 0.79 -1.15 118.95 121.16 1xke s ARG 47 Ca 0.19 -1.14 0.01 0.00 -1.72 0.00 0.00 55.73 53.07 1xke s ARG 47 Cb -0.09 -1.63 0.03 0.00 -0.45 0.00 0.00 34.95 32.81 1xke s ARG 47 CO 0.10 0.40 -0.14 -1.64 -0.68 0.00 0.00 175.30 173.34 1xke s MET 48 N -1.65 2.34 0.11 3.54 -1.94 0.19 -1.62 119.30 120.27 1xke s MET 48 Ca 0.09 -0.73 0.07 0.00 -1.71 0.00 0.00 55.69 53.42 1xke s MET 48 Cb -0.10 -2.32 -0.04 0.00 2.01 0.00 0.00 34.83 34.39 1xke s MET 48 CO 0.04 -0.30 -0.18 -0.48 -0.01 0.00 0.00 175.02 174.08 1xke s LEU 49 N 1.41 2.35 -0.10 -0.03 2.34 -0.00 -0.44 118.68 124.20 1xke s LEU 49 Ca 0.03 -0.74 0.02 0.00 0.06 0.00 0.00 54.13 53.49 1xke s LEU 49 Cb -0.14 -0.74 0.02 0.00 -0.56 0.00 0.00 46.19 44.76 1xke s LEU 49 CO -0.10 -0.02 -0.13 0.00 -1.06 0.00 0.00 176.35 175.03 1xke s MET 50 N -2.22 2.01 0.07 1.48 0.23 -0.96 0.97 119.30 120.88 1xke s MET 50 Ca 0.07 -0.48 0.07 0.00 -1.03 0.00 0.00 55.69 54.31 1xke s MET 50 Cb -0.08 -1.74 -0.04 0.00 -1.53 0.00 0.00 34.83 31.44 1xke s MET 50 CO 0.04 -0.07 -0.12 0.50 -2.03 0.00 0.00 175.02 173.34 1xke s ARG 51 N 1.02 2.16 -0.20 3.16 3.52 -0.48 0.72 118.95 128.86 1xke s ARG 51 Ca -0.07 -0.97 -0.22 0.00 -0.13 0.00 0.00 55.73 54.34 1xke s ARG 51 Cb -0.15 -2.30 -0.02 0.00 -1.56 0.00 0.00 34.95 30.92 1xke s ARG 51 CO -0.01 0.53 0.69 1.03 -0.81 0.00 0.00 175.30 176.73 1xke s ARG 52 N -1.91 4.23 0.00 5.12 0.52 -0.68 -0.37 118.95 125.86 1xke s ARG 52 Ca 0.19 0.73 0.00 0.00 -0.52 0.00 0.00 55.73 56.13 1xke s ARG 52 Cb -0.11 -3.58 0.00 0.00 0.52 0.00 0.00 34.95 31.78 1xke s ARG 52 CO 0.11 -0.28 0.83 -1.91 0.02 0.00 0.00 175.30 174.07 1xke n GLU 53 N 5.17 0.00 0.00 3.54 2.13 -1.26 -0.16 120.64 130.07 1xke n GLU 53 Ca 0.00 0.63 0.14 0.00 0.66 0.00 0.00 57.16 58.60 1xke n GLU 53 Cb 0.49 -1.33 0.62 0.00 0.27 0.00 0.00 31.44 31.49 1xke n GLU 53 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1xke n GLN 54 N -2.00 0.33 0.00 5.31 6.02 -1.26 -2.40 117.38 123.38 1xke n GLN 54 Ca 0.00 -0.07 0.13 0.00 -0.01 0.00 0.00 57.00 57.05 1xke n GLN 54 Cb 0.00 -1.50 0.39 0.00 1.02 0.00 0.00 30.24 30.15 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 -1.28 0.00 -0.59 5.09 0.31 -0.81 -4.93 118.33 116.12 1xke n VAL 55 Ca 0.11 -0.19 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 1xke n VAL 55 Cb 0.29 0.52 0.00 0.00 -0.91 0.00 0.00 33.84 33.74 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 -0.27 0.61 -3.88 7.52 7.94 0.78 -4.86 117.00 124.84 1xke n LEU 56 Ca 0.14 0.00 -0.30 0.00 -1.11 0.00 0.00 56.01 54.74 1xke n LEU 56 Cb 0.37 -1.68 -0.15 0.00 0.53 0.00 0.00 43.42 42.48 1xke n LEU 56 CO 0.23 -0.59 -0.37 -0.75 -1.11 0.00 0.00 177.39 174.79 1xke s LYS 57 N -1.19 1.24 -0.11 1.96 2.20 -1.12 -4.87 119.74 117.85 1xke s LYS 57 Ca 0.00 -1.12 -0.22 0.00 -0.36 0.00 0.00 55.97 54.26 1xke s LYS 57 Cb 0.00 -2.49 -0.10 0.00 -1.51 0.00 0.00 37.83 33.73 1xke s LYS 57 CO 0.00 -0.78 0.67 1.55 -0.36 0.00 0.00 175.35 176.43 1xke n VAL 58 N 4.68 0.00 -0.10 4.02 3.14 -1.26 -1.69 118.33 127.12 1xke n VAL 58 Ca -0.06 0.00 -0.13 0.00 -2.96 0.00 0.00 64.34 61.19 1xke n VAL 58 Cb 0.43 -0.11 -0.12 0.00 -1.06 0.00 0.00 33.84 32.99 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 -2.44 -0.27 -0.39 0.00 0.00 -1.20 -4.82 121.76 112.64 1xke s ALA 60 Ca -0.22 0.62 -0.03 0.00 0.00 0.00 0.00 51.96 52.33 1xke s ALA 60 Cb 0.07 -0.41 0.10 0.00 0.00 0.00 0.00 23.12 22.88 1xke s ALA 60 CO 0.59 -0.14 0.16 1.21 0.00 0.00 0.00 175.76 177.59 1xke s ASN 61 N 0.97 5.20 -0.20 0.00 2.47 -1.26 -2.26 114.94 119.86 1xke s ASN 61 Ca -0.07 -1.85 -0.10 0.00 0.42 0.00 0.00 52.86 51.26 1xke s ASN 61 Cb -0.10 -1.81 -0.05 0.00 -1.45 0.00 0.00 41.25 37.84 1xke s ASN 61 CO -0.05 -0.48 0.12 -1.00 -3.72 0.00 0.00 177.10 171.97 1xke s HIS 62 N 1.17 3.38 0.13 0.43 3.76 0.42 -3.54 115.29 121.05 1xke s HIS 62 Ca 0.05 0.29 -0.24 0.00 -0.15 0.00 0.00 55.06 55.01 1xke s HIS 62 Cb -0.22 -2.14 -0.07 0.00 1.11 0.00 0.00 32.58 31.25 1xke s HIS 62 CO -0.03 0.27 0.73 -1.58 -0.85 0.00 0.00 174.74 173.27 1xke s TRP 63 N 0.35 3.87 -0.39 1.40 0.51 -1.26 0.55 118.94 123.97 1xke s TRP 63 Ca 0.07 1.54 -0.14 0.00 -2.12 0.00 0.00 56.10 55.45 1xke s TRP 63 Cb -0.11 -2.71 0.01 0.00 -0.81 0.00 0.00 33.47 29.85 1xke s TRP 63 CO -0.02 0.51 0.28 -1.50 -0.51 0.00 0.00 176.95 175.71 1xke s ILE 64 N -1.03 5.20 0.10 2.03 -1.16 -0.30 -4.92 121.20 121.12 1xke s ILE 64 Ca 0.34 -0.58 -0.05 0.00 -0.51 0.00 0.00 60.65 59.86 1xke s ILE 64 Cb -0.22 -3.84 -0.02 0.00 0.61 0.00 0.00 42.46 38.98 1xke s ILE 64 CO 0.24 -0.23 0.12 0.28 -2.81 0.00 0.00 174.94 172.54 1xke s THR 65 N 1.68 0.14 -1.62 4.00 -1.32 -1.26 -4.42 115.64 112.83 1xke s THR 65 Ca 0.05 -1.56 0.25 0.00 -1.21 0.00 0.00 61.69 59.22 1xke s THR 65 Cb -0.19 -1.64 0.53 0.00 -1.51 0.00 0.00 72.50 69.70 1xke s THR 65 CO 0.10 -0.64 1.84 0.35 -2.21 0.00 0.00 174.62 174.06 1xke n THR 66 N -0.05 0.14 1.81 5.08 -2.24 -1.21 -2.55 114.28 115.26 1xke n THR 66 Ca -0.11 0.04 0.14 0.00 -2.27 0.00 0.00 64.05 61.85 1xke n THR 66 Cb 0.62 -0.63 0.75 0.00 -2.10 0.00 0.00 70.33 68.97 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 -1.19 0.01 -4.17 4.28 -1.04 -1.26 -4.71 114.28 106.21 1xke n THR 67 Ca 0.14 -0.10 -0.10 0.00 -2.04 0.00 0.00 64.05 61.95 1xke n THR 67 Cb 0.16 -0.13 -0.10 0.00 -1.82 0.00 0.00 70.33 68.44 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 -1.99 0.97 0.00 -2.82 0.00 -1.06 -5.14 119.30 109.26 1xke s MET 68 Ca 0.42 -1.47 -0.01 0.00 0.00 0.00 0.00 55.69 54.64 1xke s MET 68 Cb 0.21 0.18 -0.00 0.00 0.00 0.00 0.00 34.83 35.21 1xke s MET 68 CO 0.34 -0.25 0.01 1.21 0.00 0.00 0.00 175.02 176.33 1xke s ASN 69 N -3.07 0.06 -0.12 1.11 3.84 -1.26 -4.81 114.94 110.68 1xke s ASN 69 Ca 0.25 -0.12 -0.14 0.00 0.21 0.00 0.00 52.86 53.06 1xke s ASN 69 Cb 0.07 0.06 -0.05 0.00 -0.55 0.00 0.00 41.25 40.79 1xke s ASN 69 CO 0.03 -0.10 0.34 -1.48 -2.79 0.00 0.00 177.10 173.09 1xke s LEU 70 N -0.45 4.30 -0.12 3.21 0.05 -1.26 -3.99 118.68 120.43 1xke s LEU 70 Ca -0.05 0.65 0.00 0.00 0.05 0.00 0.00 54.13 54.78 1xke s LEU 70 Cb -0.03 -2.45 0.02 0.00 -2.05 0.00 0.00 46.19 41.68 1xke s LEU 70 CO -0.00 0.15 -0.11 -0.75 -0.55 0.00 0.00 176.35 175.08 1xke s LYS 71 N 0.09 1.92 0.25 1.48 2.20 0.65 -4.92 119.74 121.40 1xke s LYS 71 Ca 0.19 -0.42 -0.30 0.00 -0.36 0.00 0.00 55.97 55.09 1xke s LYS 71 Cb -0.14 -1.80 -0.09 0.00 -1.51 0.00 0.00 37.83 34.29 1xke s LYS 71 CO 0.07 -0.20 1.29 -1.25 -0.36 0.00 0.00 175.35 174.90 1xke s PRO 72 N 1.43 4.41 0.76 4.03 0.04 -1.26 -0.08 135.00 144.32 1xke s PRO 72 Ca 0.01 2.08 -0.11 0.00 0.04 0.00 0.00 61.00 63.02 1xke s PRO 72 Cb -0.13 -3.16 0.05 0.00 0.04 0.00 0.00 34.50 31.30 1xke s PRO 72 CO -0.07 -0.18 1.08 -0.48 0.04 0.00 0.00 177.00 177.39 1xke s LEU 73 N -0.77 2.90 0.07 -3.56 2.34 -1.23 -4.88 118.68 113.55 1xke s LEU 73 Ca 0.53 1.60 -0.31 0.00 0.06 0.00 0.00 54.13 56.01 1xke s LEU 73 Cb -0.37 -4.32 -0.08 0.00 -0.56 0.00 0.00 46.19 40.86 1xke s LEU 73 CO 0.43 -1.86 1.50 -0.44 -1.06 0.00 0.00 176.35 174.92 1xke s SER 74 N -3.66 6.73 0.00 1.48 0.01 -1.26 -2.81 113.70 114.19 1xke s SER 74 Ca 0.60 2.35 0.00 0.00 1.31 0.00 0.00 55.95 60.21 1xke s SER 74 Cb -0.15 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.50 1xke s SER 74 CO 0.55 -0.77 0.00 0.61 0.41 0.00 0.00 173.24 174.04 1xke n GLY 75 N 3.73 0.48 3.76 3.44 0.00 -1.26 -5.00 105.19 110.34 1xke n GLY 75 Ca 0.14 -0.84 -0.40 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.93 7.42 -0.03 1.61 1.04 -1.12 -4.92 113.70 114.76 1xke s SER 76 Ca 0.00 2.06 -0.25 0.00 0.48 0.00 0.00 55.95 58.24 1xke s SER 76 Cb 0.00 -2.61 -0.19 0.00 0.10 0.00 0.00 66.02 63.31 1xke s SER 76 CO 0.00 -0.02 1.15 0.44 0.98 0.00 0.00 173.24 175.79 1xke h ASP 77 N 3.82 -0.07 0.00 7.02 5.19 -1.94 -3.43 116.42 127.01 1xke h ASP 77 Ca -0.46 -0.47 0.00 0.00 -0.62 0.00 0.00 57.03 55.48 1xke h ASP 77 Cb 1.20 0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.73 1xke h ASP 77 CO 0.67 0.46 0.00 0.54 -3.12 0.00 0.00 179.24 177.78 1xke n ARG 78 N -4.88 0.00 -4.10 3.56 5.12 -1.26 -4.67 116.66 110.44 1xke n ARG 78 Ca -0.09 0.00 -0.27 0.00 -1.93 0.00 0.00 57.85 55.56 1xke n ARG 78 Cb 0.27 0.00 -0.06 0.00 -1.16 0.00 0.00 32.46 31.51 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 3.51 0.07 7.54 0.00 -1.26 -3.99 121.76 127.63 1xke s ALA 79 Ca 0.00 -1.20 -0.03 0.00 0.00 0.00 0.00 51.96 50.73 1xke s ALA 79 Cb 0.00 -1.32 -0.03 0.00 0.00 0.00 0.00 23.12 21.77 1xke s ALA 79 CO 0.00 0.54 0.04 1.67 0.00 0.00 0.00 175.76 178.01 1xke s TRP 80 N -1.68 0.47 -0.06 0.00 1.48 -1.13 -3.51 118.94 114.52 1xke s TRP 80 Ca 0.30 -0.97 0.04 0.00 -1.06 0.00 0.00 56.10 54.41 1xke s TRP 80 Cb -0.10 -0.32 -0.00 0.00 -1.16 0.00 0.00 33.47 31.89 1xke s TRP 80 CO 0.22 -0.44 -0.19 0.00 -4.06 0.00 0.00 176.95 172.48 1xke s MET 81 N -3.92 2.14 -0.06 3.25 0.23 0.88 -1.44 119.30 120.39 1xke s MET 81 Ca 0.09 -0.68 0.01 0.00 -1.03 0.00 0.00 55.69 54.07 1xke s MET 81 Cb 0.07 -1.78 0.02 0.00 -1.53 0.00 0.00 34.83 31.61 1xke s MET 81 CO -0.09 0.23 -0.04 1.67 -2.03 0.00 0.00 175.02 174.76 1xke s TRP 82 N 0.15 0.83 -0.22 3.16 1.48 0.74 -0.25 118.94 124.84 1xke s TRP 82 Ca -0.08 -0.26 -0.09 0.00 -1.06 0.00 0.00 56.10 54.61 1xke s TRP 82 Cb -0.14 -0.76 -0.04 0.00 -1.16 0.00 0.00 33.47 31.37 1xke s TRP 82 CO 0.04 -0.25 0.11 -0.48 -4.06 0.00 0.00 176.95 172.31 1xke s LEU 83 N 1.17 3.91 0.11 -4.66 2.34 -1.26 -2.13 118.68 118.17 1xke s LEU 83 Ca -0.07 0.05 -0.08 0.00 0.06 0.00 0.00 54.13 54.09 1xke s LEU 83 Cb -0.14 -2.03 -0.01 0.00 -0.56 0.00 0.00 46.19 43.45 1xke s LEU 83 CO -0.01 0.09 0.20 0.00 -1.06 0.00 0.00 176.35 175.56 1xke s ALA 84 N 0.92 -0.03 -0.56 1.48 0.00 -0.63 -4.79 121.76 118.15 1xke s ALA 84 Ca 0.06 -0.80 -0.24 0.00 0.00 0.00 0.00 51.96 50.98 1xke s ALA 84 Cb -0.13 0.63 0.04 0.00 0.00 0.00 0.00 23.12 23.66 1xke s ALA 84 CO 0.03 -0.55 0.93 -1.54 0.00 0.00 0.00 175.76 174.64 1xke s SER 85 N -2.91 6.33 -0.25 0.00 1.04 -1.26 -1.42 113.70 115.22 1xke s SER 85 Ca 0.10 -0.40 -0.17 0.00 0.48 0.00 0.00 55.95 55.97 1xke s SER 85 Cb 0.05 -2.43 -0.03 0.00 0.10 0.00 0.00 66.02 63.70 1xke s SER 85 CO -0.06 -1.23 0.46 1.51 0.98 0.00 0.00 173.24 174.90 1xke s ASP 86 N 2.88 6.39 -0.30 7.02 -4.77 0.19 -4.79 116.67 123.29 1xke s ASP 86 Ca 0.30 0.46 -0.08 0.00 -3.30 0.00 0.00 52.55 49.92 1xke s ASP 86 Cb -0.13 -2.26 0.18 0.00 -1.09 0.00 0.00 42.92 39.63 1xke s ASP 86 CO 0.19 -0.23 0.89 0.72 0.70 0.00 0.00 175.17 177.44 1xke s PHE 87 N 2.11 -0.92 0.18 2.11 -0.71 -1.23 -2.46 117.98 117.06 1xke s PHE 87 Ca 0.19 0.92 -0.08 0.00 -1.04 0.00 0.00 56.93 56.92 1xke s PHE 87 Cb -0.16 0.30 0.08 0.00 -1.21 0.00 0.00 43.02 42.04 1xke s PHE 87 CO 0.09 -0.51 1.60 1.03 -1.34 0.00 0.00 175.22 176.09 1xke h SER 88 N 7.94 0.96 0.00 1.98 0.87 -1.86 -3.43 113.55 120.02 1xke h SER 88 Ca -0.15 -0.34 0.00 0.00 -1.23 0.00 0.00 61.79 60.07 1xke h SER 88 Cb 1.17 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.87 1xke h SER 88 CO 0.02 1.11 0.00 -0.67 -0.53 0.00 0.00 176.83 176.76 1xke n ASP 89 N -4.13 0.00 0.01 6.23 2.03 -1.26 -5.02 116.55 114.42 1xke n ASP 89 Ca 0.01 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.30 1xke n ASP 89 Cb 0.43 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.82 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 -0.14 3.31 0.27 0.00 -1.26 -5.03 105.19 102.34 1xke n GLY 90 Ca 0.00 -0.07 -0.08 0.00 0.00 0.00 0.00 46.02 45.87 1xke n GLY 90 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1xke s ASP 91 N -5.82 -0.37 -0.67 1.61 -4.77 -1.26 -5.09 116.67 100.30 1xke s ASP 91 Ca -0.06 1.05 -0.27 0.00 -3.30 0.00 0.00 52.55 49.97 1xke s ASP 91 Cb 0.01 1.39 0.00 0.00 -1.09 0.00 0.00 42.92 43.23 1xke s ASP 91 CO 0.09 -0.23 1.58 0.00 0.70 0.00 0.00 175.17 177.31 1xke s ALA 92 N 2.52 2.45 0.01 2.11 0.00 -1.26 -4.11 121.76 123.48 1xke s ALA 92 Ca -0.03 -0.99 0.02 0.00 0.00 0.00 0.00 51.96 50.96 1xke s ALA 92 Cb -0.12 -4.28 -0.01 0.00 0.00 0.00 0.00 23.12 18.71 1xke s ALA 92 CO -0.13 -3.60 -0.06 0.21 0.00 0.00 0.00 175.76 172.18 1xke s LYS 93 N 6.41 0.44 -0.21 0.00 2.20 -1.03 -5.00 119.74 122.55 1xke s LYS 93 Ca 0.52 -0.37 -0.06 0.00 -0.36 0.00 0.00 55.97 55.70 1xke s LYS 93 Cb -0.10 -0.35 -0.03 0.00 -1.51 0.00 0.00 37.83 35.84 1xke s LYS 93 CO 0.18 0.09 0.02 -0.48 -0.36 0.00 0.00 175.35 174.79 1xke s LEU 94 N -0.62 3.32 0.11 5.43 2.34 -1.26 0.55 118.68 128.55 1xke s LEU 94 Ca -0.02 -0.19 -0.07 0.00 0.06 0.00 0.00 54.13 53.90 1xke s LEU 94 Cb -0.05 -1.85 -0.01 0.00 -0.56 0.00 0.00 46.19 43.72 1xke s LEU 94 CO -0.00 0.05 0.18 -0.70 -1.06 0.00 0.00 176.35 174.81 1xke s GLU 95 N 1.11 0.92 -0.29 1.48 2.12 -0.51 -4.95 118.70 118.59 1xke s GLU 95 Ca 0.03 -1.11 -0.06 0.00 0.36 0.00 0.00 54.97 54.19 1xke s GLU 95 Cb -0.14 0.33 0.01 0.00 0.26 0.00 0.00 34.13 34.59 1xke s GLU 95 CO 0.02 -0.30 0.06 -1.14 -0.54 0.00 0.00 175.26 173.36 1xke s GLN 96 N -3.92 3.03 0.16 4.30 0.74 -1.26 -1.61 119.66 121.09 1xke s GLN 96 Ca 0.11 -0.89 0.10 0.00 0.05 0.00 0.00 55.36 54.73 1xke s GLN 96 Cb 0.05 -3.30 -0.04 0.00 1.10 0.00 0.00 33.01 30.81 1xke s GLN 96 CO -0.06 -0.44 -0.21 -0.51 -0.55 0.00 0.00 175.29 173.52 1xke s LEU 97 N 1.46 2.57 0.30 3.68 1.43 -0.91 -1.92 118.68 125.30 1xke s LEU 97 Ca 0.02 -0.71 0.10 0.00 -1.03 0.00 0.00 54.13 52.52 1xke s LEU 97 Cb -0.17 -1.37 -0.05 0.00 0.03 0.00 0.00 46.19 44.63 1xke s LEU 97 CO 0.01 0.15 -0.07 0.00 0.23 0.00 0.00 176.35 176.67 1xke s ALA 98 N -1.39 3.03 -0.12 4.21 0.00 -0.76 -0.18 121.76 126.54 1xke s ALA 98 Ca 0.19 -1.85 -0.13 0.00 0.00 0.00 0.00 51.96 50.17 1xke s ALA 98 Cb -0.09 -0.44 0.03 0.00 0.00 0.00 0.00 23.12 22.62 1xke s ALA 98 CO 0.10 0.20 0.36 0.00 0.00 0.00 0.00 175.76 176.42 1xke s ALA 99 N -2.46 -0.90 0.03 0.00 0.00 -0.52 -0.18 121.76 117.73 1xke s ALA 99 Ca 0.32 0.93 0.03 0.00 0.00 0.00 0.00 51.96 53.24 1xke s ALA 99 Cb -0.04 -0.50 -0.02 0.00 0.00 0.00 0.00 23.12 22.57 1xke s ALA 99 CO 0.18 -0.19 -0.10 -1.59 0.00 0.00 0.00 175.76 174.07 1xke s LYS 100 N -0.05 0.67 0.33 0.00 -2.85 -0.93 -2.83 119.74 114.07 1xke s LYS 100 Ca -0.02 -0.59 0.01 0.00 -1.00 0.00 0.00 55.97 54.37 1xke s LYS 100 Cb -0.03 -0.59 -0.03 0.00 -2.06 0.00 0.00 37.83 35.12 1xke s LYS 100 CO 0.01 0.14 0.51 -0.06 0.10 0.00 0.00 175.35 176.05 1xke s PHE 101 N -0.81 3.49 0.18 1.78 0.40 -1.26 -1.58 117.98 120.19 1xke s PHE 101 Ca -0.02 0.27 -0.15 0.00 -0.60 0.00 0.00 56.93 56.44 1xke s PHE 101 Cb -0.07 -1.83 0.17 0.00 0.51 0.00 0.00 43.02 41.80 1xke s PHE 101 CO 0.01 0.19 1.67 0.87 0.70 0.00 0.00 175.22 178.65 1xke h LYS 102 N 0.84 0.06 -5.71 0.44 6.56 -1.94 -3.42 116.57 113.39 1xke h LYS 102 Ca -0.50 -0.00 -0.49 0.00 -1.06 0.00 0.00 60.65 58.60 1xke h LYS 102 Cb 1.22 -0.01 -0.14 0.00 -0.57 0.00 0.00 32.23 32.72 1xke h LYS 102 CO 0.61 0.04 -0.74 0.95 -2.06 0.00 0.00 179.45 178.25 1xke s THR 103 N -6.19 1.91 -0.49 -0.16 -4.23 -1.26 -4.99 115.64 100.22 1xke s THR 103 Ca -0.14 -2.26 0.14 0.00 -1.18 0.00 0.00 61.69 58.26 1xke s THR 103 Cb 0.16 -2.10 0.14 0.00 1.34 0.00 0.00 72.50 72.04 1xke s THR 103 CO 0.72 -0.55 1.43 -2.65 -0.54 0.00 0.00 174.62 173.03 1xke n PRO 104 N -0.44 0.09 -0.04 3.99 -0.02 -1.26 -0.05 135.00 137.27 1xke n PRO 104 Ca -0.07 0.58 -0.13 0.00 -2.02 0.00 0.00 63.50 61.85 1xke n PRO 104 Cb 0.60 -1.80 -0.08 0.00 -0.02 0.00 0.00 33.50 32.21 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 0.28 -0.03 -0.52 4.57 -1.94 0.96 114.58 117.91 1xke h GLU 105 Ca 0.00 -0.16 -0.15 0.00 -1.18 0.00 0.00 59.36 57.87 1xke h GLU 105 Cb 0.01 0.01 0.01 0.00 -0.16 0.00 0.00 28.75 28.63 1xke h GLU 105 CO 0.00 0.73 -0.56 1.25 -1.18 0.00 0.00 179.01 179.25 1xke h LEU 106 N -0.15 0.54 -0.26 1.64 5.85 -1.50 -2.36 115.31 119.06 1xke h LEU 106 Ca 0.01 -0.73 -0.05 0.00 0.84 0.00 0.00 57.88 57.95 1xke h LEU 106 Cb 0.70 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 1xke h LEU 106 CO 0.03 1.19 -0.04 0.00 -0.34 0.00 0.00 178.44 179.29 1xke h ALA 107 N 0.36 0.36 -0.17 1.25 0.00 -0.52 -2.65 119.26 117.89 1xke h ALA 107 Ca -0.06 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.54 1xke h ALA 107 Cb 1.26 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 1xke h ALA 107 CO 0.11 0.14 -0.12 1.49 0.00 0.00 0.00 179.25 180.87 1xke h GLU 108 N 0.25 0.38 -0.64 0.00 4.57 0.95 -1.67 114.58 118.43 1xke h GLU 108 Ca 0.07 -0.18 0.02 0.00 -1.18 0.00 0.00 59.36 58.08 1xke h GLU 108 Cb 0.49 -0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.04 1xke h GLU 108 CO 0.02 0.72 0.41 0.93 -1.18 0.00 0.00 179.01 179.91 1xke h GLU 109 N 0.05 0.80 -0.14 1.92 4.39 -1.48 -1.99 114.58 118.12 1xke h GLU 109 Ca 0.03 -0.05 -0.11 0.00 0.34 0.00 0.00 59.36 59.57 1xke h GLU 109 Cb 0.62 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 1xke h GLU 109 CO 0.03 0.53 -0.42 0.74 -1.16 0.00 0.00 179.01 178.73 1xke h PHE 110 N 0.82 0.37 0.28 4.33 -1.00 -1.45 -2.13 116.94 118.17 1xke h PHE 110 Ca 0.24 -0.10 -0.01 0.00 2.81 0.00 0.00 57.97 60.91 1xke h PHE 110 Cb -0.05 -0.08 -0.01 0.00 3.61 0.00 0.00 35.95 39.42 1xke h PHE 110 CO -0.04 0.68 -0.20 -0.22 -1.61 0.00 0.00 178.31 176.92 1xke h LYS 111 N 0.26 -0.46 -0.11 1.51 3.64 -0.58 0.91 116.57 121.73 1xke h LYS 111 Ca 0.02 0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.47 1xke h LYS 111 Cb 0.85 0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.73 1xke h LYS 111 CO 0.07 -0.31 -0.14 1.96 -2.27 0.00 0.00 179.45 178.76 1xke h GLN 112 N -0.48 -0.17 -0.63 1.90 4.20 -1.38 -1.26 115.11 117.29 1xke h GLN 112 Ca -0.02 0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.66 1xke h GLN 112 Cb 0.42 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.21 1xke h GLN 112 CO 0.00 -0.11 0.23 -0.22 -0.67 0.00 0.00 178.83 178.06 1xke h LYS 113 N -0.17 0.94 0.24 1.46 1.63 -1.22 -0.35 116.57 119.09 1xke h LYS 113 Ca 0.09 -0.16 -0.01 0.00 -0.85 0.00 0.00 60.65 59.71 1xke h LYS 113 Cb 0.30 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 31.77 1xke h LYS 113 CO -0.22 0.78 -0.12 0.35 -3.45 0.00 0.00 179.45 176.80 1xke h PHE 114 N 0.92 -0.30 -0.75 1.91 3.04 -0.19 0.14 116.94 121.71 1xke h PHE 114 Ca 0.21 -0.01 -0.04 0.00 3.98 0.00 0.00 57.97 62.11 1xke h PHE 114 Cb 0.21 0.10 -0.03 0.00 2.56 0.00 0.00 35.95 38.79 1xke h PHE 114 CO 0.02 -0.05 0.30 0.93 -2.02 0.00 0.00 178.31 177.49 1xke h GLU 115 N -0.52 1.10 0.03 1.11 5.08 -0.95 -0.23 114.58 120.21 1xke h GLU 115 Ca -0.03 -0.19 -0.00 0.00 -1.00 0.00 0.00 59.36 58.14 1xke h GLU 115 Cb 0.39 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1xke h GLU 115 CO 0.05 0.89 -0.01 1.49 -1.00 0.00 0.00 179.01 180.43 1xke h GLU 116 N 1.08 -0.04 -0.38 2.33 4.57 -0.79 -1.98 114.58 119.37 1xke h GLU 116 Ca 0.25 0.00 0.03 0.00 -1.18 0.00 0.00 59.36 58.46 1xke h GLU 116 Cb 0.20 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.77 1xke h GLU 116 CO -0.02 -0.02 0.25 0.00 -1.18 0.00 0.00 179.01 178.04 1xke h GLN 118 N 0.39 0.15 -0.08 0.00 4.20 -0.26 0.50 115.11 120.02 1xke h GLN 118 Ca 0.15 -0.01 -0.08 0.00 0.06 0.00 0.00 58.65 58.77 1xke h GLN 118 Cb 0.13 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.88 1xke h GLN 118 CO -0.04 0.10 -0.27 0.00 -0.67 0.00 0.00 178.83 177.96 1xke h ARG 119 N 0.16 0.33 -0.05 1.46 -0.00 -1.21 -3.21 114.38 111.86 1xke h ARG 119 Ca 0.16 -0.24 -0.10 0.00 -0.50 0.00 0.00 59.98 59.29 1xke h ARG 119 Cb 0.19 0.04 0.01 0.00 0.00 0.00 0.00 29.97 30.21 1xke h ARG 119 CO -0.22 0.87 -0.36 -0.07 0.00 0.00 0.00 179.97 180.18 1xke h LEU 120 N -0.15 0.40 -2.67 3.04 4.07 -0.34 -3.36 115.31 116.30 1xke h LEU 120 Ca -0.01 -0.69 0.01 0.00 0.08 0.00 0.00 57.88 57.27 1xke h LEU 120 Cb 0.90 -0.12 -0.00 0.00 1.08 0.00 0.00 40.66 42.52 1xke h LEU 120 CO 0.06 1.03 0.04 0.25 -1.08 0.00 0.00 178.44 178.74 1xke h LEU 121 N -0.19 0.00 -0.56 1.67 7.12 -0.21 0.21 115.31 123.34 1xke h LEU 121 Ca -0.03 0.00 -0.06 0.00 0.13 0.00 0.00 57.88 57.92 1xke h LEU 121 Cb 1.04 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 41.15 1xke h LEU 121 CO 0.07 0.00 0.12 -0.07 -0.13 0.00 0.00 178.44 178.43 1xke h LEU 122 N 0.00 0.88 0.00 2.25 3.38 -1.75 -3.30 115.31 116.77 1xke h LEU 122 Ca 0.01 -0.25 -0.08 0.00 0.09 0.00 0.00 57.88 57.65 1xke h LEU 122 Cb 0.09 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1xke h LEU 122 CO -0.00 0.90 -1.78 -0.67 0.09 0.00 0.00 178.44 176.98 1xke n ASP 123 N -4.37 1.55 -4.62 -0.43 2.03 0.66 -4.95 116.55 106.42 1xke n ASP 123 Ca 0.02 0.00 -0.37 0.00 0.52 0.00 0.00 54.79 54.97 1xke n ASP 123 Cb 0.25 1.41 -0.10 0.00 -0.72 0.00 0.00 41.12 41.96 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 -2.82 5.24 0.38 5.18 -5.25 -0.83 -5.07 121.20 118.04 1xke s ILE 124 Ca -0.06 0.14 -0.26 0.00 -0.99 0.00 0.00 60.65 59.49 1xke s ILE 124 Cb 0.08 -3.46 -0.09 0.00 2.95 0.00 0.00 42.46 41.94 1xke s ILE 124 CO 0.61 0.32 1.14 -2.16 -1.79 0.00 0.00 174.94 173.06 1xke s PRO 125 N 1.30 4.16 -1.07 0.37 0.04 -1.26 -4.76 135.00 133.78 1xke s PRO 125 Ca 0.07 1.78 -0.19 0.00 0.04 0.00 0.00 61.00 62.70 1xke s PRO 125 Cb -0.14 -2.72 0.10 0.00 0.04 0.00 0.00 34.50 31.77 1xke s PRO 125 CO 0.06 -0.22 1.39 -0.51 0.04 0.00 0.00 177.00 177.77 1xke s LEU 126 N -2.37 4.31 -0.17 -3.56 2.01 -1.26 -4.88 118.68 112.75 1xke s LEU 126 Ca 0.55 -2.05 -0.01 0.00 0.01 0.00 0.00 54.13 52.63 1xke s LEU 126 Cb -0.29 -2.49 0.05 0.00 0.01 0.00 0.00 46.19 43.46 1xke s LEU 126 CO 0.37 -1.19 -0.03 -1.58 1.01 0.00 0.00 176.35 174.94 1xke s GLN 127 N 3.57 1.20 0.26 1.70 0.74 -1.26 -5.12 119.66 120.74 1xke s GLN 127 Ca 0.43 -0.51 -0.30 0.00 0.05 0.00 0.00 55.36 55.03 1xke s GLN 127 Cb -0.01 -2.03 -0.09 0.00 1.10 0.00 0.00 33.01 31.98 1xke s GLN 127 CO -0.05 -0.50 0.99 0.95 -0.55 0.00 0.00 175.29 176.13 1xke s THR 128 N 1.68 3.89 0.48 -0.34 -4.23 -1.26 -5.01 115.64 110.85 1xke s THR 128 Ca -0.00 1.88 -0.22 0.00 -1.18 0.00 0.00 61.69 62.16 1xke s THR 128 Cb -0.16 -4.19 -0.07 0.00 1.34 0.00 0.00 72.50 69.42 1xke s THR 128 CO -0.07 0.43 1.19 -2.16 -0.54 0.00 0.00 174.62 173.46 1xke s PRO 129 N -1.33 3.63 0.00 3.99 0.04 -1.26 -5.29 135.00 134.79 1xke s PRO 129 Ca 0.43 1.82 0.20 0.00 0.04 0.00 0.00 61.00 63.49 1xke s PRO 129 Cb -0.27 -2.34 0.16 0.00 0.04 0.00 0.00 34.50 32.08 1xke s PRO 129 CO 0.34 -0.67 1.14 1.63 0.04 0.00 0.00 177.00 179.48