#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xke s SER 2 N 0.00 6.08 0.00 1.61 0.01 -1.26 -3.75 113.70 116.39 1xke s SER 2 Ca 0.00 -1.35 0.00 0.00 1.31 0.00 0.00 55.95 55.91 1xke s SER 2 Cb 0.00 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.66 1xke s SER 2 CO 0.00 -1.90 0.00 0.61 0.41 0.00 0.00 173.24 172.36 1xke n GLY 3 N 6.67 0.52 0.00 3.44 0.00 -1.26 -4.98 105.19 109.58 1xke n GLY 3 Ca 0.37 -0.56 0.12 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 0.40 -3.72 1.61 1.02 -1.25 -4.04 120.64 114.67 1xke n GLU 4 Ca 0.00 0.05 -0.12 0.00 -0.02 0.00 0.00 57.16 57.07 1xke n GLU 4 Cb 0.00 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 29.80 1xke n GLU 4 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1xke s GLU 5 N -2.49 0.28 0.00 3.49 2.12 -1.26 -5.00 118.70 115.84 1xke s GLU 5 Ca 0.25 0.62 0.00 0.00 0.36 0.00 0.00 54.97 56.20 1xke s GLU 5 Cb 0.16 -0.07 0.00 0.00 0.26 0.00 0.00 34.13 34.48 1xke s GLU 5 CO 0.36 -0.16 0.46 -3.47 -0.54 0.00 0.00 175.26 171.91 1xke n ASP 6 N 4.17 0.00 -4.03 -1.70 2.03 -1.26 -5.09 116.55 110.68 1xke n ASP 6 Ca -0.24 -1.09 -0.18 0.00 0.52 0.00 0.00 54.79 53.80 1xke n ASP 6 Cb 0.54 -0.02 -0.14 0.00 -0.72 0.00 0.00 41.12 40.78 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 0.69 0.24 -0.67 1.03 -1.26 0.19 118.70 118.91 1xke s GLU 7 Ca 0.00 -0.39 0.07 0.00 0.03 0.00 0.00 54.97 54.69 1xke s GLU 7 Cb 0.00 -0.65 -0.04 0.00 -0.80 0.00 0.00 34.13 32.64 1xke s GLU 7 CO 0.00 0.17 0.12 -1.59 -1.33 0.00 0.00 175.26 172.63 1xke s LYS 8 N -0.42 2.70 -0.25 -4.83 -2.85 0.83 -4.73 119.74 110.19 1xke s LYS 8 Ca 0.02 -1.13 -0.26 0.00 -1.00 0.00 0.00 55.97 53.59 1xke s LYS 8 Cb -0.04 -2.44 0.00 0.00 -2.06 0.00 0.00 37.83 33.28 1xke s LYS 8 CO -0.00 0.41 0.91 0.08 0.10 0.00 0.00 175.35 176.85 1xke s VAL 9 N -2.10 4.76 -0.04 1.79 1.01 -1.26 -1.19 120.40 123.36 1xke s VAL 9 Ca 0.32 1.71 -0.03 0.00 0.00 0.00 0.00 61.98 63.98 1xke s VAL 9 Cb -0.08 -4.20 -0.01 0.00 0.00 0.00 0.00 36.38 32.09 1xke s VAL 9 CO 0.23 -0.15 -0.05 -0.07 0.00 0.00 0.00 175.10 175.06 1xke h LEU 10 N 9.35 0.00 -7.40 3.92 -0.00 -1.48 -3.45 115.31 116.24 1xke h LEU 10 Ca -0.22 0.00 -0.11 0.00 -0.00 0.00 0.00 57.88 57.56 1xke h LEU 10 Cb 1.08 0.00 -0.20 0.00 -0.00 0.00 0.00 40.66 41.54 1xke h LEU 10 CO 0.92 0.24 -0.18 -0.72 -0.00 0.00 0.00 178.44 178.69 1xke s TYR 11 N -1.38 -0.28 -0.08 1.13 -0.85 -1.25 -4.91 117.35 109.72 1xke s TYR 11 Ca -0.04 0.47 0.01 0.00 -0.52 0.00 0.00 57.07 56.98 1xke s TYR 11 Cb 0.01 0.16 0.02 0.00 0.38 0.00 0.00 41.96 42.52 1xke s TYR 11 CO 0.06 -0.43 -0.09 -1.54 -1.52 0.00 0.00 175.55 172.03 1xke s SER 12 N -1.24 1.85 0.02 -0.18 1.04 -1.25 -1.05 113.70 112.89 1xke s SER 12 Ca -0.13 -0.28 -0.13 0.00 0.48 0.00 0.00 55.95 55.90 1xke s SER 12 Cb -0.04 -0.79 0.02 0.00 0.10 0.00 0.00 66.02 65.31 1xke s SER 12 CO 0.05 -0.04 0.27 -1.58 0.98 0.00 0.00 173.24 172.92 1xke s GLN 13 N 1.14 0.71 -0.17 4.02 0.74 0.53 -4.90 119.66 121.73 1xke s GLN 13 Ca -0.06 -0.41 -0.29 0.00 0.05 0.00 0.00 55.36 54.65 1xke s GLN 13 Cb -0.14 0.31 -0.01 0.00 1.10 0.00 0.00 33.01 34.27 1xke s GLN 13 CO -0.02 -0.21 1.12 0.50 -0.55 0.00 0.00 175.29 176.13 1xke s ARG 14 N -2.04 4.29 0.36 1.67 3.52 -1.26 0.71 118.95 126.19 1xke s ARG 14 Ca -0.09 1.49 0.03 0.00 -0.13 0.00 0.00 55.73 57.04 1xke s ARG 14 Cb -0.03 -3.65 -0.04 0.00 -1.56 0.00 0.00 34.95 29.67 1xke s ARG 14 CO -0.00 -0.58 0.09 0.54 -0.81 0.00 0.00 175.30 174.54 1xke s VAL 15 N 2.99 0.86 -0.10 7.11 0.11 0.22 -4.84 120.40 126.76 1xke s VAL 15 Ca 0.49 -2.00 0.03 0.00 -2.93 0.00 0.00 61.98 57.58 1xke s VAL 15 Cb -0.19 -2.57 -0.00 0.00 -1.53 0.00 0.00 36.38 32.09 1xke s VAL 15 CO 0.12 0.00 -0.22 -0.54 -3.33 0.00 0.00 175.10 171.13 1xke s LYS 16 N -3.83 3.04 0.02 1.54 1.02 -0.76 -0.53 119.74 120.25 1xke s LYS 16 Ca 0.30 -0.84 0.02 0.00 0.02 0.00 0.00 55.97 55.47 1xke s LYS 16 Cb 0.06 -2.35 -0.04 0.00 -0.52 0.00 0.00 37.83 34.98 1xke s LYS 16 CO 0.15 0.22 0.03 -1.17 -0.92 0.00 0.00 175.35 173.66 1xke s LEU 17 N 0.25 3.63 0.05 3.17 2.96 0.21 -1.90 118.68 127.05 1xke s LEU 17 Ca -0.15 0.00 0.01 0.00 -0.22 0.00 0.00 54.13 53.78 1xke s LEU 17 Cb -0.17 -2.17 -0.03 0.00 0.50 0.00 0.00 46.19 44.32 1xke s LEU 17 CO 0.07 0.25 -0.06 -0.36 -1.32 0.00 0.00 176.35 174.93 1xke s PHE 18 N -1.19 0.59 0.09 5.38 0.40 0.16 0.87 117.98 124.28 1xke s PHE 18 Ca 0.23 -0.65 0.08 0.00 -0.60 0.00 0.00 56.93 55.99 1xke s PHE 18 Cb -0.12 -0.37 -0.04 0.00 0.51 0.00 0.00 43.02 43.01 1xke s PHE 18 CO 0.14 -0.16 -0.17 -0.98 0.70 0.00 0.00 175.22 174.75 1xke s ARG 19 N -2.24 1.91 -0.33 0.44 1.70 0.27 0.06 118.95 120.76 1xke s ARG 19 Ca -0.05 -1.10 -0.17 0.00 -0.47 0.00 0.00 55.73 53.94 1xke s ARG 19 Cb -0.05 -2.16 -0.01 0.00 -0.57 0.00 0.00 34.95 32.15 1xke s ARG 19 CO -0.02 0.50 0.45 0.12 -1.08 0.00 0.00 175.30 175.27 1xke s PHE 20 N -1.09 3.21 -0.29 5.89 5.36 0.43 0.41 117.98 131.90 1xke s PHE 20 Ca 0.17 0.21 -0.21 0.00 -0.96 0.00 0.00 56.93 56.15 1xke s PHE 20 Cb -0.11 -2.78 -0.01 0.00 -0.34 0.00 0.00 43.02 39.78 1xke s PHE 20 CO 0.09 -0.44 0.65 0.34 -1.46 0.00 0.00 175.22 174.41 1xke s ASP 21 N 1.71 6.54 0.18 6.13 -1.08 0.21 -4.67 116.67 125.70 1xke s ASP 21 Ca 0.17 0.54 -0.06 0.00 -0.52 0.00 0.00 52.55 52.67 1xke s ASP 21 Cb -0.16 -2.34 0.08 0.00 -1.46 0.00 0.00 42.92 39.04 1xke s ASP 21 CO 0.12 -0.47 1.53 0.00 0.52 0.00 0.00 175.17 176.87 1xke h ALA 22 N 8.10 0.71 0.00 3.66 0.00 -1.92 0.53 119.26 130.34 1xke h ALA 22 Ca -0.26 -0.45 -0.10 0.00 0.00 0.00 0.00 54.91 54.09 1xke h ALA 22 Cb 1.12 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1xke h ALA 22 CO 0.80 0.66 -0.50 0.93 0.00 0.00 0.00 179.25 181.15 1xke h GLU 23 N 0.62 0.00 -0.00 0.00 4.39 -1.96 -2.30 114.58 115.33 1xke h GLU 23 Ca 0.05 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1xke h GLU 23 Cb 0.95 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.60 1xke h GLU 23 CO 0.09 0.50 -0.68 0.28 -1.16 0.00 0.00 179.01 178.04 1xke n VAL 24 N -3.26 0.00 -2.86 3.13 0.31 -1.16 -4.90 118.33 109.59 1xke n VAL 24 Ca 0.02 -0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 64.17 1xke n VAL 24 Cb 0.71 0.52 0.00 0.00 -0.91 0.00 0.00 33.84 34.16 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 -4.12 4.52 7.64 0.14 -4.95 113.62 111.17 1xke n SER 25 Ca 0.05 -0.09 -0.19 0.00 1.01 0.00 0.00 58.87 59.65 1xke n SER 25 Cb 0.33 -3.49 -0.13 0.00 -1.01 0.00 0.00 64.21 59.91 1xke n SER 25 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 1xke s GLN 26 N -5.48 0.84 -0.53 1.43 2.00 0.13 -4.86 119.66 113.18 1xke s GLN 26 Ca 0.19 -0.72 -0.25 0.00 -2.00 0.00 0.00 55.36 52.58 1xke s GLN 26 Cb -0.10 -0.81 0.04 0.00 0.80 0.00 0.00 33.01 32.94 1xke s GLN 26 CO 0.23 0.20 0.98 1.67 -0.50 0.00 0.00 175.29 177.87 1xke s TRP 27 N -0.88 2.79 -0.04 1.67 -2.14 -1.25 0.68 118.94 119.76 1xke s TRP 27 Ca -0.00 0.16 0.06 0.00 2.66 0.00 0.00 56.10 58.98 1xke s TRP 27 Cb -0.08 -4.13 -0.02 0.00 -3.10 0.00 0.00 33.47 26.14 1xke s TRP 27 CO 0.01 -1.33 -0.22 0.15 -2.66 0.00 0.00 176.95 172.90 1xke s LYS 28 N 4.09 2.41 0.33 3.25 -0.14 0.17 -4.87 119.74 124.97 1xke s LYS 28 Ca 0.34 -0.84 -0.28 0.00 -1.36 0.00 0.00 55.97 53.84 1xke s LYS 28 Cb -0.11 -2.20 -0.13 0.00 -1.68 0.00 0.00 37.83 33.71 1xke s LYS 28 CO 0.22 0.52 1.19 -0.85 -0.76 0.00 0.00 175.35 175.66 1xke n GLU 29 N 2.58 1.84 -0.10 1.68 0.28 -1.26 0.96 120.64 126.62 1xke n GLU 29 Ca -0.17 0.65 -0.13 0.00 -0.16 0.00 0.00 57.16 57.34 1xke n GLU 29 Cb 0.52 -2.17 -0.11 0.00 1.43 0.00 0.00 31.44 31.11 1xke n GLU 29 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1xke n ARG 30 N 0.56 0.73 0.00 3.44 5.12 0.25 -4.62 116.66 122.13 1xke n ARG 30 Ca 0.06 0.09 0.00 0.00 -1.93 0.00 0.00 57.85 56.07 1xke n ARG 30 Cb 0.35 -1.44 0.00 0.00 -1.16 0.00 0.00 32.46 30.21 1xke n ARG 30 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1xke n GLY 31 N 2.32 2.91 3.64 -0.13 0.00 -1.01 -4.99 105.19 107.92 1xke n GLY 31 Ca -0.36 -0.53 -0.34 0.00 0.00 0.00 0.00 46.02 44.79 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 3.38 0.00 0.99 1.02 -1.26 0.64 118.68 123.44 1xke s LEU 32 Ca 0.00 0.04 0.00 0.00 0.02 0.00 0.00 54.13 54.19 1xke s LEU 32 Cb 0.00 -1.79 0.00 0.00 0.02 0.00 0.00 46.19 44.42 1xke s LEU 32 CO 0.00 0.35 0.00 0.61 0.02 0.00 0.00 176.35 177.33 1xke n GLY 33 N 2.02 -0.78 3.64 -3.19 0.00 0.31 -3.01 105.19 104.18 1xke n GLY 33 Ca -0.18 -1.01 -0.41 0.00 0.00 0.00 0.00 46.02 44.42 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 6.75 -0.23 1.61 2.47 -0.41 0.72 114.94 121.85 1xke s ASN 34 Ca 0.00 0.93 -0.21 0.00 0.42 0.00 0.00 52.86 54.00 1xke s ASN 34 Cb 0.00 -2.40 -0.02 0.00 -1.45 0.00 0.00 41.25 37.38 1xke s ASN 34 CO 0.00 -0.45 0.65 -0.22 -3.72 0.00 0.00 177.10 173.36 1xke s LEU 35 N 2.65 4.10 0.07 3.21 0.20 0.22 -1.95 118.68 127.18 1xke s LEU 35 Ca 0.32 0.81 0.05 0.00 0.69 0.00 0.00 54.13 55.99 1xke s LEU 35 Cb -0.15 -2.91 -0.04 0.00 -0.43 0.00 0.00 46.19 42.65 1xke s LEU 35 CO 0.08 -0.34 -0.02 -0.54 -0.29 0.00 0.00 176.35 175.24 1xke s LYS 36 N 2.27 2.53 -0.26 1.98 3.01 0.21 -0.35 119.74 129.13 1xke s LYS 36 Ca 0.28 -0.82 -0.06 0.00 -1.01 0.00 0.00 55.97 54.37 1xke s LYS 36 Cb -0.16 -2.53 -0.00 0.00 -1.01 0.00 0.00 37.83 34.13 1xke s LYS 36 CO 0.09 0.55 0.04 0.42 0.51 0.00 0.00 175.35 176.96 1xke s ILE 37 N -1.25 3.80 -0.10 2.17 -1.09 -0.22 -0.28 121.20 124.23 1xke s ILE 37 Ca 0.24 -0.57 0.01 0.00 -2.23 0.00 0.00 60.65 58.10 1xke s ILE 37 Cb -0.12 -2.87 -0.02 0.00 -1.58 0.00 0.00 42.46 37.88 1xke s ILE 37 CO 0.16 0.22 -0.13 -0.76 -1.23 0.00 0.00 174.94 173.21 1xke s LEU 38 N 1.50 2.75 -0.04 2.97 1.43 0.76 -1.04 118.68 127.01 1xke s LEU 38 Ca 0.04 -0.27 0.06 0.00 -1.03 0.00 0.00 54.13 52.93 1xke s LEU 38 Cb -0.16 -1.60 -0.02 0.00 0.03 0.00 0.00 46.19 44.44 1xke s LEU 38 CO 0.01 0.23 -0.22 -1.59 0.23 0.00 0.00 176.35 175.01 1xke s LYS 39 N -0.05 2.41 0.50 1.70 0.00 -0.34 0.14 119.74 124.10 1xke s LYS 39 Ca -0.02 -0.86 -0.23 0.00 0.00 0.00 0.00 55.97 54.86 1xke s LYS 39 Cb -0.14 -2.19 -0.06 0.00 0.00 0.00 0.00 37.83 35.44 1xke s LYS 39 CO 0.04 0.50 1.33 -0.80 0.00 0.00 0.00 175.35 176.41 1xke s ASN 40 N -0.44 5.66 0.47 0.03 0.02 -0.79 -0.12 114.94 119.77 1xke s ASN 40 Ca 0.05 2.69 0.20 0.00 -1.02 0.00 0.00 52.86 54.78 1xke s ASN 40 Cb -0.12 -2.63 1.18 0.00 0.02 0.00 0.00 41.25 39.70 1xke s ASN 40 CO 0.01 -1.30 2.01 -0.33 0.02 0.00 0.00 177.10 177.52 1xke h GLU 41 N 1.86 0.00 0.00 -0.60 4.39 -0.61 0.25 114.58 119.87 1xke h GLU 41 Ca -0.50 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.10 1xke h GLU 41 Cb 1.28 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.91 1xke h GLU 41 CO 0.59 0.17 -0.47 0.28 -1.16 0.00 0.00 179.01 178.43 1xke h VAL 42 N 0.00 0.85 -2.30 3.13 2.07 -1.91 -3.47 116.25 114.62 1xke h VAL 42 Ca -0.00 -2.04 -0.32 0.00 0.82 0.00 0.00 66.70 65.16 1xke h VAL 42 Cb 0.36 2.30 -0.02 0.00 -1.52 0.00 0.00 31.29 32.42 1xke h VAL 42 CO 0.02 0.46 -0.41 -3.20 0.02 0.00 0.00 177.57 174.45 1xke n ASN 43 N -3.28 -4.81 0.12 0.57 5.15 0.87 -4.94 115.26 108.93 1xke n ASN 43 Ca 0.01 -0.02 -0.09 0.00 -0.60 0.00 0.00 54.58 53.89 1xke n ASN 43 Cb 0.68 -3.93 -0.05 0.00 -0.53 0.00 0.00 39.78 35.95 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 0.00 -0.39 -4.51 8.20 0.00 -1.91 -3.45 103.07 101.00 1xke h GLY 44 Ca -0.38 0.15 -0.50 0.00 0.00 0.00 0.00 47.33 46.60 1xke h GLY 44 CO 0.45 -0.14 -0.81 0.54 0.00 0.00 0.00 176.54 176.58 1xke s LYS 45 N -3.28 1.06 0.07 4.80 3.01 -1.26 -5.03 119.74 119.10 1xke s LYS 45 Ca -0.10 -0.92 0.09 0.00 -1.01 0.00 0.00 55.97 54.03 1xke s LYS 45 Cb 0.01 -1.15 -0.03 0.00 -1.01 0.00 0.00 37.83 35.64 1xke s LYS 45 CO 0.33 0.28 -0.22 -0.51 0.51 0.00 0.00 175.35 175.74 1xke s LEU 46 N -1.42 2.46 0.03 3.17 1.02 -1.26 -1.88 118.68 120.80 1xke s LEU 46 Ca 0.03 -0.54 -0.02 0.00 0.02 0.00 0.00 54.13 53.63 1xke s LEU 46 Cb -0.09 -1.41 -0.02 0.00 0.02 0.00 0.00 46.19 44.68 1xke s LEU 46 CO 0.02 0.23 0.00 0.00 0.02 0.00 0.00 176.35 176.63 1xke s ARG 47 N -1.59 0.45 -0.20 1.70 1.70 0.12 -1.10 118.95 120.04 1xke s ARG 47 Ca 0.14 -0.80 0.00 0.00 -0.47 0.00 0.00 55.73 54.61 1xke s ARG 47 Cb -0.10 0.16 0.02 0.00 -0.57 0.00 0.00 34.95 34.46 1xke s ARG 47 CO 0.05 -0.09 -0.15 -1.64 -1.08 0.00 0.00 175.30 172.39 1xke s MET 48 N -2.35 3.00 0.09 3.89 -1.94 0.36 -0.17 119.30 122.19 1xke s MET 48 Ca -0.08 -0.84 0.06 0.00 -1.71 0.00 0.00 55.69 53.13 1xke s MET 48 Cb -0.03 -2.71 -0.03 0.00 2.01 0.00 0.00 34.83 34.07 1xke s MET 48 CO -0.04 -0.25 -0.16 -0.48 -0.01 0.00 0.00 175.02 174.08 1xke s LEU 49 N 1.32 2.30 -0.05 -0.03 2.34 0.62 -0.04 118.68 125.13 1xke s LEU 49 Ca 0.04 -0.66 0.00 0.00 0.06 0.00 0.00 54.13 53.58 1xke s LEU 49 Cb -0.14 -0.64 0.02 0.00 -0.56 0.00 0.00 46.19 44.88 1xke s LEU 49 CO -0.10 -0.04 -0.04 0.00 -1.06 0.00 0.00 176.35 175.11 1xke s MET 50 N -1.88 0.82 0.04 1.48 0.23 -0.94 0.68 119.30 119.73 1xke s MET 50 Ca 0.02 -0.07 0.01 0.00 -1.03 0.00 0.00 55.69 54.62 1xke s MET 50 Cb -0.10 -0.90 -0.04 0.00 -1.53 0.00 0.00 34.83 32.26 1xke s MET 50 CO 0.03 -0.13 0.10 0.50 -2.03 0.00 0.00 175.02 173.48 1xke s ARG 51 N 1.16 3.05 -0.20 3.16 3.52 -0.82 0.80 118.95 129.62 1xke s ARG 51 Ca -0.07 -0.56 -0.21 0.00 -0.13 0.00 0.00 55.73 54.76 1xke s ARG 51 Cb -0.14 -2.84 -0.02 0.00 -1.56 0.00 0.00 34.95 30.39 1xke s ARG 51 CO -0.01 0.61 0.64 1.03 -0.81 0.00 0.00 175.30 176.76 1xke s ARG 52 N -2.10 4.21 0.04 5.12 0.52 -0.43 -1.29 118.95 125.02 1xke s ARG 52 Ca 0.27 0.64 -0.29 0.00 -0.52 0.00 0.00 55.73 55.83 1xke s ARG 52 Cb -0.12 -3.58 -0.17 0.00 0.52 0.00 0.00 34.95 31.60 1xke s ARG 52 CO 0.19 -0.25 1.35 0.93 0.02 0.00 0.00 175.30 177.54 1xke h GLU 53 N 7.48 -0.83 -0.00 3.54 4.39 -1.86 0.49 114.58 127.80 1xke h GLU 53 Ca -0.31 0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.45 1xke h GLU 53 Cb 1.14 0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.98 1xke h GLU 53 CO 0.78 -0.51 -0.09 1.04 -1.16 0.00 0.00 179.01 179.07 1xke n GLN 54 N -5.40 0.26 0.00 2.33 6.02 -1.26 -2.65 117.38 116.67 1xke n GLN 54 Ca -0.12 -0.05 0.11 0.00 -0.01 0.00 0.00 57.00 56.93 1xke n GLN 54 Cb 0.36 -1.50 0.06 0.00 1.02 0.00 0.00 30.24 30.19 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 -1.33 0.00 -0.66 5.09 0.31 -1.00 -4.95 118.33 115.78 1xke n VAL 55 Ca 0.10 -0.23 -0.02 0.00 -0.01 0.00 0.00 64.34 64.19 1xke n VAL 55 Cb 0.30 1.08 -0.01 0.00 -0.91 0.00 0.00 33.84 34.31 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 -0.19 0.36 -3.93 7.52 7.94 0.17 -4.88 117.00 123.98 1xke n LEU 56 Ca 0.10 0.04 -0.31 0.00 -1.11 0.00 0.00 56.01 54.73 1xke n LEU 56 Cb 0.44 -1.64 -0.15 0.00 0.53 0.00 0.00 43.42 42.60 1xke n LEU 56 CO 0.28 -0.56 -0.38 -0.75 -1.11 0.00 0.00 177.39 174.88 1xke s LYS 57 N -1.37 1.44 0.01 1.96 2.47 -1.06 -4.85 119.74 118.33 1xke s LYS 57 Ca 0.00 -1.34 -0.12 0.00 -1.56 0.00 0.00 55.97 52.95 1xke s LYS 57 Cb 0.00 -2.70 -0.06 0.00 -1.46 0.00 0.00 37.83 33.61 1xke s LYS 57 CO 0.00 -0.79 0.32 1.55 0.16 0.00 0.00 175.35 176.59 1xke n VAL 58 N 4.55 0.09 -0.03 4.02 3.14 -1.26 -1.31 118.33 127.52 1xke n VAL 58 Ca -0.05 -0.02 -0.05 0.00 -2.96 0.00 0.00 64.34 61.26 1xke n VAL 58 Cb 0.43 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 33.17 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 -2.14 -0.24 -0.31 0.00 0.00 -1.17 -3.88 121.76 114.02 1xke s ALA 60 Ca -0.09 0.27 -0.05 0.00 0.00 0.00 0.00 51.96 52.10 1xke s ALA 60 Cb 0.02 -0.16 0.03 0.00 0.00 0.00 0.00 23.12 23.02 1xke s ALA 60 CO 0.17 -0.05 0.05 1.21 0.00 0.00 0.00 175.76 177.15 1xke s ASN 61 N 0.06 5.06 -0.15 0.00 2.47 -1.26 -2.22 114.94 118.89 1xke s ASN 61 Ca -0.00 -1.05 -0.04 0.00 0.42 0.00 0.00 52.86 52.18 1xke s ASN 61 Cb -0.01 -1.81 -0.03 0.00 -1.45 0.00 0.00 41.25 37.95 1xke s ASN 61 CO 0.00 -0.26 -0.01 -1.00 -3.72 0.00 0.00 177.10 172.11 1xke s HIS 62 N 1.38 3.10 0.06 0.43 3.76 0.94 -3.76 115.29 121.19 1xke s HIS 62 Ca -0.01 -0.15 -0.24 0.00 -0.15 0.00 0.00 55.06 54.50 1xke s HIS 62 Cb -0.19 -1.97 -0.06 0.00 1.11 0.00 0.00 32.58 31.47 1xke s HIS 62 CO 0.01 0.06 0.72 -1.58 -0.85 0.00 0.00 174.74 173.11 1xke s TRP 63 N 0.24 3.77 -0.72 1.40 0.51 -1.26 0.14 118.94 123.01 1xke s TRP 63 Ca -0.01 1.44 -0.17 0.00 -2.12 0.00 0.00 56.10 55.25 1xke s TRP 63 Cb -0.13 -2.75 0.15 0.00 -0.81 0.00 0.00 33.47 29.93 1xke s TRP 63 CO 0.02 0.36 0.76 -1.50 -0.51 0.00 0.00 176.95 176.08 1xke s ILE 64 N -0.38 5.14 0.13 2.03 -1.16 -0.25 -4.85 121.20 121.84 1xke s ILE 64 Ca 0.36 -1.67 -0.06 0.00 -0.51 0.00 0.00 60.65 58.77 1xke s ILE 64 Cb -0.21 -4.51 -0.02 0.00 0.61 0.00 0.00 42.46 38.34 1xke s ILE 64 CO 0.22 -1.11 0.16 0.28 -2.81 0.00 0.00 174.94 171.68 1xke s THR 65 N 1.66 0.11 -1.67 4.00 -1.32 -1.26 -4.61 115.64 112.54 1xke s THR 65 Ca 0.16 -1.56 0.25 0.00 -1.21 0.00 0.00 61.69 59.33 1xke s THR 65 Cb -0.17 -1.78 0.56 0.00 -1.51 0.00 0.00 72.50 69.60 1xke s THR 65 CO -0.02 -0.49 1.86 0.35 -2.21 0.00 0.00 174.62 174.11 1xke n THR 66 N -0.11 0.12 1.89 5.08 -2.24 -1.25 -2.89 114.28 114.88 1xke n THR 66 Ca -0.09 0.03 0.15 0.00 -2.27 0.00 0.00 64.05 61.87 1xke n THR 66 Cb 0.63 -0.62 0.83 0.00 -2.10 0.00 0.00 70.33 69.06 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 -1.16 0.00 -4.05 4.28 -1.04 -1.26 -4.65 114.28 106.40 1xke n THR 67 Ca 0.15 -0.05 -0.09 0.00 -2.04 0.00 0.00 64.05 62.02 1xke n THR 67 Cb 0.15 -0.28 -0.09 0.00 -1.82 0.00 0.00 70.33 68.29 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 -2.00 0.85 0.01 -2.82 0.00 -1.14 -5.09 119.30 109.11 1xke s MET 68 Ca 0.44 -1.25 -0.00 0.00 0.00 0.00 0.00 55.69 54.89 1xke s MET 68 Cb 0.21 0.27 -0.01 0.00 0.00 0.00 0.00 34.83 35.30 1xke s MET 68 CO 0.35 -0.24 -0.01 1.21 0.00 0.00 0.00 175.02 176.33 1xke s ASN 69 N -2.96 0.12 -0.12 1.11 2.47 -1.26 -4.81 114.94 109.48 1xke s ASN 69 Ca 0.14 -0.25 -0.20 0.00 0.42 0.00 0.00 52.86 52.97 1xke s ASN 69 Cb 0.07 0.06 -0.04 0.00 -1.45 0.00 0.00 41.25 39.88 1xke s ASN 69 CO -0.04 -0.15 0.58 -1.48 -3.72 0.00 0.00 177.10 172.28 1xke s LEU 70 N -0.74 4.25 -0.12 3.21 0.05 -1.26 -3.83 118.68 120.23 1xke s LEU 70 Ca -0.08 0.92 0.02 0.00 0.05 0.00 0.00 54.13 55.05 1xke s LEU 70 Cb -0.05 -2.85 0.01 0.00 -2.05 0.00 0.00 46.19 41.25 1xke s LEU 70 CO -0.00 -0.10 -0.20 -0.75 -0.55 0.00 0.00 176.35 174.74 1xke s LYS 71 N 1.01 2.73 0.53 1.48 2.20 0.15 -4.89 119.74 122.95 1xke s LYS 71 Ca 0.30 -0.75 -0.18 0.00 -0.36 0.00 0.00 55.97 54.98 1xke s LYS 71 Cb -0.16 -2.22 -0.07 0.00 -1.51 0.00 0.00 37.83 33.87 1xke s LYS 71 CO 0.13 -0.01 1.02 -1.25 -0.36 0.00 0.00 175.35 174.88 1xke s PRO 72 N 0.83 3.70 0.00 4.03 0.04 -1.26 0.43 135.00 142.76 1xke s PRO 72 Ca -0.08 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.13 1xke s PRO 72 Cb -0.16 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.29 1xke s PRO 72 CO -0.01 -0.49 0.00 1.28 0.04 0.00 0.00 177.00 177.82 1xke n LEU 73 N -1.50 0.00 -4.90 -3.56 4.77 -1.15 -4.87 117.00 105.78 1xke n LEU 73 Ca 0.08 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.75 1xke n LEU 73 Cb 0.53 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.58 1xke n LEU 73 CO 0.44 -0.39 -0.04 -0.44 -1.33 0.00 0.00 177.39 175.62 1xke s SER 74 N -1.00 6.44 0.00 -1.43 0.01 -1.26 -4.51 113.70 111.95 1xke s SER 74 Ca 0.00 0.47 0.00 0.00 1.31 0.00 0.00 55.95 57.73 1xke s SER 74 Cb 0.00 -2.04 0.00 0.00 0.21 0.00 0.00 66.02 64.19 1xke s SER 74 CO 0.00 0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.37 1xke n GLY 75 N 0.23 1.70 3.73 3.44 0.00 -1.26 -4.86 105.19 108.17 1xke n GLY 75 Ca -0.04 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 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 0.00 7.45 -0.23 1.61 0.01 -1.26 -4.92 113.70 116.36 1xke s SER 76 Ca 0.00 1.73 -0.05 0.00 1.31 0.00 0.00 55.95 58.94 1xke s SER 76 Cb 0.00 -2.57 -0.18 0.00 0.21 0.00 0.00 66.02 63.48 1xke s SER 76 CO 0.00 -0.05 -0.08 -0.90 0.41 0.00 0.00 173.24 172.63 1xke n ASP 77 N 2.77 2.00 -0.28 2.44 5.75 -1.26 -4.18 116.55 123.79 1xke n ASP 77 Ca 0.01 0.07 0.08 0.00 -0.01 0.00 0.00 54.79 54.94 1xke n ASP 77 Cb 0.49 -0.64 0.13 0.00 -1.03 0.00 0.00 41.12 40.08 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 -3.58 1.11 -4.25 0.11 5.12 -1.26 -4.88 116.66 109.02 1xke n ARG 78 Ca -0.43 -2.46 -0.33 0.00 -1.93 0.00 0.00 57.85 52.69 1xke n ARG 78 Cb 0.96 -1.32 -0.08 0.00 -1.16 0.00 0.00 32.46 30.85 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 -2.43 3.36 0.13 7.54 0.00 -1.26 -4.20 121.76 124.90 1xke s ALA 79 Ca 0.29 -0.90 0.02 0.00 0.00 0.00 0.00 51.96 51.36 1xke s ALA 79 Cb 0.26 -1.43 -0.04 0.00 0.00 0.00 0.00 23.12 21.91 1xke s ALA 79 CO 0.00 0.65 -0.04 1.67 0.00 0.00 0.00 175.76 178.03 1xke s TRP 80 N -1.07 1.06 0.12 0.00 1.48 -0.98 -2.96 118.94 116.59 1xke s TRP 80 Ca 0.19 -0.94 0.07 0.00 -1.06 0.00 0.00 56.10 54.36 1xke s TRP 80 Cb -0.12 -0.60 -0.04 0.00 -1.16 0.00 0.00 33.47 31.56 1xke s TRP 80 CO 0.10 -0.15 -0.17 1.41 -4.06 0.00 0.00 176.95 174.08 1xke s MET 81 N -3.86 1.09 0.05 3.25 -2.45 0.17 -0.61 119.30 116.95 1xke s MET 81 Ca 0.17 -1.23 0.03 0.00 -1.25 0.00 0.00 55.69 53.41 1xke s MET 81 Cb 0.05 -1.13 -0.03 0.00 1.25 0.00 0.00 34.83 34.98 1xke s MET 81 CO -0.01 0.24 -0.10 -1.58 1.05 0.00 0.00 175.02 174.62 1xke s TRP 82 N -1.77 0.85 -0.23 4.11 0.51 -0.02 0.31 118.94 122.72 1xke s TRP 82 Ca 0.09 -0.48 -0.08 0.00 -2.12 0.00 0.00 56.10 53.50 1xke s TRP 82 Cb -0.07 -0.50 -0.04 0.00 -0.81 0.00 0.00 33.47 32.05 1xke s TRP 82 CO 0.04 -0.03 0.10 -0.48 -0.51 0.00 0.00 176.95 176.07 1xke s LEU 83 N -1.61 3.78 0.09 2.99 2.34 -1.25 -1.53 118.68 123.49 1xke s LEU 83 Ca -0.07 -0.02 -0.08 0.00 0.06 0.00 0.00 54.13 54.03 1xke s LEU 83 Cb -0.10 -2.00 -0.01 0.00 -0.56 0.00 0.00 46.19 43.53 1xke s LEU 83 CO 0.01 0.06 0.17 0.00 -1.06 0.00 0.00 176.35 175.52 1xke s ALA 84 N 1.08 -0.09 -0.47 1.48 0.00 -0.22 -4.79 121.76 118.75 1xke s ALA 84 Ca 0.05 -0.74 -0.18 0.00 0.00 0.00 0.00 51.96 51.09 1xke s ALA 84 Cb -0.14 0.50 0.04 0.00 0.00 0.00 0.00 23.12 23.52 1xke s ALA 84 CO 0.04 -0.50 0.54 -1.54 0.00 0.00 0.00 175.76 174.29 1xke s SER 85 N -2.88 6.22 -0.26 0.00 1.04 -1.26 -0.73 113.70 115.83 1xke s SER 85 Ca 0.07 -0.81 -0.09 0.00 0.48 0.00 0.00 55.95 55.60 1xke s SER 85 Cb 0.05 -2.26 -0.04 0.00 0.10 0.00 0.00 66.02 63.87 1xke s SER 85 CO -0.10 -0.75 0.12 -0.62 0.98 0.00 0.00 173.24 172.88 1xke s ASP 86 N 2.30 5.55 0.00 7.02 2.15 -0.88 -4.73 116.67 128.08 1xke s ASP 86 Ca 0.14 -0.10 0.01 0.00 0.43 0.00 0.00 52.55 53.03 1xke s ASP 86 Cb -0.18 -2.01 0.02 0.00 -0.30 0.00 0.00 42.92 40.45 1xke s ASP 86 CO 0.13 -0.02 0.70 2.22 -0.17 0.00 0.00 175.17 178.03 1xke n PHE 87 N 4.85 0.00 -0.02 -5.34 1.16 -1.26 -3.60 117.46 113.26 1xke n PHE 87 Ca -0.15 -0.08 -0.08 0.00 -1.87 0.00 0.00 57.45 55.26 1xke n PHE 87 Cb 0.52 0.20 0.09 0.00 -1.61 0.00 0.00 39.48 38.68 1xke n PHE 87 CO 0.00 0.00 0.00 0.77 -1.87 0.00 0.00 176.76 175.66 1xke h SER 88 N 0.04 0.64 0.00 5.98 0.02 -1.88 -3.35 113.55 115.00 1xke h SER 88 Ca -0.08 -0.29 -0.02 0.00 -0.84 0.00 0.00 61.79 60.56 1xke h SER 88 Cb 1.18 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 63.51 1xke h SER 88 CO -0.03 0.97 -0.11 -0.67 -1.14 0.00 0.00 176.83 175.85 1xke n ASP 89 N -4.03 -0.13 -0.12 3.07 -0.08 -1.26 -4.88 116.55 109.13 1xke n ASP 89 Ca -0.02 -1.27 0.03 0.00 -1.51 0.00 0.00 54.79 52.03 1xke n ASP 89 Cb 0.52 0.02 -0.01 0.00 2.34 0.00 0.00 41.12 43.99 1xke n ASP 89 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1xke n GLY 90 N 0.01 -0.05 0.46 0.27 0.00 -1.25 -4.89 105.19 99.74 1xke n GLY 90 Ca -0.04 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1xke n GLY 90 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1xke n ASP 91 N -0.55 -2.48 -4.55 1.61 2.03 -1.24 -4.69 116.55 106.68 1xke n ASP 91 Ca 0.02 0.54 -0.38 0.00 0.52 0.00 0.00 54.79 55.50 1xke n ASP 91 Cb 0.14 -0.86 -0.03 0.00 -0.72 0.00 0.00 41.12 39.65 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 -4.32 2.26 0.01 -1.67 0.00 -1.26 -3.98 121.76 112.80 1xke s ALA 92 Ca 0.00 -1.00 0.01 0.00 0.00 0.00 0.00 51.96 50.97 1xke s ALA 92 Cb 0.00 -4.34 -0.01 0.00 0.00 0.00 0.00 23.12 18.77 1xke s ALA 92 CO 0.00 -3.86 -0.05 0.15 0.00 0.00 0.00 175.76 172.00 1xke s LYS 93 N 6.64 0.38 -0.23 0.00 1.02 -1.25 -5.06 119.74 121.25 1xke s LYS 93 Ca 0.59 -0.39 -0.07 0.00 0.02 0.00 0.00 55.97 56.12 1xke s LYS 93 Cb -0.10 -0.26 -0.03 0.00 -0.52 0.00 0.00 37.83 36.92 1xke s LYS 93 CO 0.15 0.06 0.07 -0.48 -0.92 0.00 0.00 175.35 174.23 1xke s LEU 94 N -0.72 3.50 0.13 3.17 2.34 -1.26 -2.07 118.68 123.78 1xke s LEU 94 Ca -0.04 -0.15 -0.06 0.00 0.06 0.00 0.00 54.13 53.93 1xke s LEU 94 Cb -0.05 -1.93 -0.02 0.00 -0.56 0.00 0.00 46.19 43.63 1xke s LEU 94 CO -0.00 0.01 0.18 -0.70 -1.06 0.00 0.00 176.35 174.78 1xke s GLU 95 N 1.36 0.99 -0.34 1.48 2.12 0.09 -4.95 118.70 119.44 1xke s GLU 95 Ca 0.05 -1.20 -0.12 0.00 0.36 0.00 0.00 54.97 54.06 1xke s GLU 95 Cb -0.15 0.32 -0.01 0.00 0.26 0.00 0.00 34.13 34.56 1xke s GLU 95 CO 0.03 -0.32 0.23 -0.65 -0.54 0.00 0.00 175.26 174.01 1xke s GLN 96 N -3.96 3.38 -0.02 4.30 -0.21 -1.26 -1.06 119.66 120.83 1xke s GLN 96 Ca 0.15 -0.71 0.06 0.00 0.02 0.00 0.00 55.36 54.88 1xke s GLN 96 Cb 0.05 -3.77 -0.02 0.00 1.00 0.00 0.00 33.01 30.26 1xke s GLN 96 CO -0.03 -0.48 -0.20 -0.51 -2.12 0.00 0.00 175.29 171.95 1xke s LEU 97 N 1.69 2.40 0.30 2.90 1.02 -0.58 -0.43 118.68 125.98 1xke s LEU 97 Ca 0.05 -0.35 0.10 0.00 0.02 0.00 0.00 54.13 53.95 1xke s LEU 97 Cb -0.18 -1.45 -0.05 0.00 0.02 0.00 0.00 46.19 44.54 1xke s LEU 97 CO 0.09 0.32 -0.06 0.00 0.02 0.00 0.00 176.35 176.73 1xke s ALA 98 N -0.70 3.05 -0.06 4.21 0.00 0.11 -0.84 121.76 127.54 1xke s ALA 98 Ca 0.11 -1.84 -0.08 0.00 0.00 0.00 0.00 51.96 50.15 1xke s ALA 98 Cb -0.10 -0.46 0.02 0.00 0.00 0.00 0.00 23.12 22.57 1xke s ALA 98 CO 0.00 0.19 0.21 0.00 0.00 0.00 0.00 175.76 176.17 1xke s ALA 99 N -2.46 -0.53 0.01 0.00 0.00 0.22 0.35 121.76 119.36 1xke s ALA 99 Ca 0.32 0.42 0.00 0.00 0.00 0.00 0.00 51.96 52.70 1xke s ALA 99 Cb -0.03 -0.21 -0.01 0.00 0.00 0.00 0.00 23.12 22.87 1xke s ALA 99 CO 0.18 -0.15 -0.02 -1.59 0.00 0.00 0.00 175.76 174.18 1xke s LYS 100 N -0.40 0.18 0.51 0.00 -2.85 -0.80 -2.32 119.74 114.07 1xke s LYS 100 Ca -0.05 -0.31 0.04 0.00 -1.00 0.00 0.00 55.97 54.65 1xke s LYS 100 Cb -0.03 0.00 0.03 0.00 -2.06 0.00 0.00 37.83 35.77 1xke s LYS 100 CO 0.01 -0.01 0.70 -0.06 0.10 0.00 0.00 175.35 176.09 1xke s PHE 101 N -0.69 2.78 0.15 1.78 0.08 -1.26 -1.83 117.98 118.99 1xke s PHE 101 Ca -0.07 -0.18 -0.18 0.00 0.12 0.00 0.00 56.93 56.62 1xke s PHE 101 Cb -0.05 -2.61 0.06 0.00 -0.57 0.00 0.00 43.02 39.85 1xke s PHE 101 CO -0.00 -0.73 1.69 0.87 -0.10 0.00 0.00 175.22 176.95 1xke h LYS 102 N 0.27 0.04 -4.66 0.44 1.57 -1.94 -3.45 116.57 108.85 1xke h LYS 102 Ca -0.41 -0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.11 1xke h LYS 102 Cb 1.29 -0.01 -0.15 0.00 0.08 0.00 0.00 32.23 33.44 1xke h LYS 102 CO 0.49 0.03 -0.65 0.95 -0.57 0.00 0.00 179.45 179.70 1xke s THR 103 N -6.20 0.39 -1.04 -0.16 -4.23 -1.26 -5.01 115.64 98.13 1xke s THR 103 Ca -0.14 -1.96 0.00 0.00 -1.18 0.00 0.00 61.69 58.42 1xke s THR 103 Cb 0.13 -2.21 0.00 0.00 1.34 0.00 0.00 72.50 71.76 1xke s THR 103 CO 0.70 -0.35 1.00 -2.65 -0.54 0.00 0.00 174.62 172.77 1xke n PRO 104 N -0.22 0.00 0.09 3.99 -0.02 -1.26 -0.31 135.00 137.26 1xke n PRO 104 Ca -0.04 0.47 -0.12 0.00 -2.02 0.00 0.00 63.50 61.79 1xke n PRO 104 Cb 0.64 -1.50 -0.08 0.00 -0.02 0.00 0.00 33.50 32.54 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 -0.27 -0.09 -0.52 4.81 -1.97 0.65 114.58 117.20 1xke h GLU 105 Ca 0.00 0.02 -0.21 0.00 -0.13 0.00 0.00 59.36 59.04 1xke h GLU 105 Cb 0.01 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.45 1xke h GLU 105 CO 0.00 0.12 -0.79 -0.07 -0.73 0.00 0.00 179.01 177.54 1xke h LEU 106 N -0.81 0.66 -0.11 1.64 -0.00 -1.59 -0.78 115.31 114.33 1xke h LEU 106 Ca -0.03 -0.46 -0.08 0.00 -0.00 0.00 0.00 57.88 57.31 1xke h LEU 106 Cb 0.51 -0.20 0.00 0.00 -0.00 0.00 0.00 40.66 40.98 1xke h LEU 106 CO 0.05 1.23 -0.26 0.00 -0.00 0.00 0.00 178.44 179.45 1xke h ALA 107 N 0.75 0.17 -0.06 1.53 0.00 -0.76 -2.64 119.26 118.26 1xke h ALA 107 Ca -0.05 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.42 1xke h ALA 107 Cb 1.40 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1xke h ALA 107 CO 0.15 0.17 -0.13 1.49 0.00 0.00 0.00 179.25 180.93 1xke h GLU 108 N -0.08 0.19 -0.78 0.00 4.22 0.48 -1.44 114.58 117.18 1xke h GLU 108 Ca -0.00 -0.13 0.03 0.00 0.08 0.00 0.00 59.36 59.34 1xke h GLU 108 Cb 0.86 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.08 1xke h GLU 108 CO 0.06 0.72 0.49 0.93 -2.18 0.00 0.00 179.01 179.03 1xke h GLU 109 N -0.30 0.92 -0.04 1.92 4.39 -1.27 -1.71 114.58 118.48 1xke h GLU 109 Ca 0.00 -0.06 -0.14 0.00 0.34 0.00 0.00 59.36 59.51 1xke h GLU 109 Cb 0.72 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 1xke h GLU 109 CO 0.03 0.61 -0.59 0.74 -1.16 0.00 0.00 179.01 178.64 1xke h PHE 110 N 0.95 0.19 -0.16 4.33 -1.00 -1.49 -2.52 116.94 117.24 1xke h PHE 110 Ca 0.31 -0.07 0.04 0.00 2.81 0.00 0.00 57.97 61.06 1xke h PHE 110 Cb 0.03 -0.03 -0.04 0.00 3.61 0.00 0.00 35.95 39.52 1xke h PHE 110 CO -0.03 0.70 -0.07 -0.22 -1.61 0.00 0.00 178.31 177.08 1xke h LYS 111 N 0.11 -0.05 -0.10 1.51 3.11 -0.33 0.62 116.57 121.45 1xke h LYS 111 Ca -0.01 0.00 0.03 0.00 -2.81 0.00 0.00 60.65 57.87 1xke h LYS 111 Cb 1.07 0.01 -0.04 0.00 -1.00 0.00 0.00 32.23 32.28 1xke h LYS 111 CO 0.09 -0.03 -0.13 1.96 -2.81 0.00 0.00 179.45 178.52 1xke h GLN 112 N -0.05 -0.16 -0.72 1.90 1.08 -1.48 -1.51 115.11 114.16 1xke h GLN 112 Ca 0.09 0.01 -0.04 0.00 -1.45 0.00 0.00 58.65 57.25 1xke h GLN 112 Cb 0.18 0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.62 1xke h GLN 112 CO -0.19 -0.11 0.29 -0.22 -0.95 0.00 0.00 178.83 177.65 1xke h LYS 113 N -0.17 1.08 0.11 1.46 3.64 -0.91 -0.71 116.57 121.08 1xke h LYS 113 Ca 0.08 -0.20 -0.01 0.00 -1.27 0.00 0.00 60.65 59.25 1xke h LYS 113 Cb 0.28 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1xke h LYS 113 CO -0.20 0.89 -0.05 0.74 -2.27 0.00 0.00 179.45 178.56 1xke h PHE 114 N 1.04 -0.14 -0.15 1.91 0.04 0.51 0.80 116.94 120.95 1xke h PHE 114 Ca 0.24 -0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.91 1xke h PHE 114 Cb 0.21 0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.40 1xke h PHE 114 CO 0.02 0.09 -0.34 1.05 -0.60 0.00 0.00 178.31 178.53 1xke h GLU 115 N -0.37 0.30 -0.18 1.51 4.11 -1.16 -1.11 114.58 117.68 1xke h GLU 115 Ca -0.02 -0.12 -0.01 0.00 0.07 0.00 0.00 59.36 59.28 1xke h GLU 115 Cb 0.30 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1xke h GLU 115 CO 0.03 0.61 0.07 1.49 0.07 0.00 0.00 179.01 181.27 1xke h GLU 116 N 0.26 0.27 -0.45 1.06 4.57 -0.92 -1.93 114.58 117.43 1xke h GLU 116 Ca 0.03 -0.05 0.02 0.00 -1.18 0.00 0.00 59.36 58.18 1xke h GLU 116 Cb 0.73 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.25 1xke h GLU 116 CO 0.06 0.35 0.30 0.00 -1.18 0.00 0.00 179.01 178.54 1xke h GLN 118 N 0.53 0.01 -0.02 0.00 4.20 -0.41 0.29 115.11 119.71 1xke h GLN 118 Ca 0.18 -0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.86 1xke h GLN 118 Cb 0.07 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.85 1xke h GLN 118 CO -0.04 0.01 -0.10 0.00 -0.67 0.00 0.00 178.83 178.02 1xke h ARG 119 N 0.01 0.10 0.01 1.46 -0.00 -1.08 -3.32 114.38 111.56 1xke h ARG 119 Ca 0.09 -0.08 -0.07 0.00 -0.50 0.00 0.00 59.98 59.42 1xke h ARG 119 Cb 0.13 0.02 0.01 0.00 0.00 0.00 0.00 29.97 30.13 1xke h ARG 119 CO -0.19 0.74 -0.27 -0.07 0.00 0.00 0.00 179.97 180.19 1xke h LEU 120 N -0.51 0.22 -2.68 3.04 4.07 -0.34 -3.38 115.31 115.73 1xke h LEU 120 Ca -0.01 -0.82 -0.00 0.00 0.08 0.00 0.00 57.88 57.13 1xke h LEU 120 Cb 0.76 -0.07 -0.00 0.00 1.08 0.00 0.00 40.66 42.44 1xke h LEU 120 CO 0.02 1.01 -0.01 0.25 -1.08 0.00 0.00 178.44 178.63 1xke h LEU 121 N -0.55 0.00 -0.49 1.67 5.85 -0.60 0.24 115.31 121.43 1xke h LEU 121 Ca -0.04 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.62 1xke h LEU 121 Cb 1.06 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.07 1xke h LEU 121 CO 0.05 0.01 0.08 -0.07 -0.34 0.00 0.00 178.44 178.17 1xke h LEU 122 N 0.00 0.78 0.00 2.25 3.38 -1.73 -3.37 115.31 116.62 1xke h LEU 122 Ca -0.00 -0.26 -0.36 0.00 0.09 0.00 0.00 57.88 57.35 1xke h LEU 122 Cb 0.07 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.55 1xke h LEU 122 CO 0.00 0.84 -2.35 -0.67 0.09 0.00 0.00 178.44 176.35 1xke n ASP 123 N -4.42 2.12 -4.71 -0.43 -0.08 0.05 -4.93 116.55 104.15 1xke n ASP 123 Ca 0.01 -0.07 -0.41 0.00 -1.51 0.00 0.00 54.79 52.80 1xke n ASP 123 Cb 0.25 -0.42 -0.03 0.00 2.34 0.00 0.00 41.12 43.26 1xke n ASP 123 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 1xke s ILE 124 N -2.47 4.90 0.16 5.18 -5.25 -1.05 -5.02 121.20 117.65 1xke s ILE 124 Ca -0.32 1.89 -0.31 0.00 -0.99 0.00 0.00 60.65 60.93 1xke s ILE 124 Cb 0.09 -4.24 -0.08 0.00 2.95 0.00 0.00 42.46 41.17 1xke s ILE 124 CO 0.53 0.16 1.33 -2.84 -1.79 0.00 0.00 174.94 172.32 1xke s PRO 125 N 1.12 4.37 -0.13 0.37 0.02 -1.26 -4.81 135.00 134.68 1xke s PRO 125 Ca 0.48 2.03 -0.04 0.00 0.02 0.00 0.00 61.00 63.49 1xke s PRO 125 Cb -0.20 -3.23 0.05 0.00 0.02 0.00 0.00 34.50 31.15 1xke s PRO 125 CO 0.24 -0.32 0.09 -1.17 -0.33 0.00 0.00 177.00 175.51 1xke s LEU 126 N 0.43 0.24 0.33 -5.54 0.20 -1.26 -5.12 118.68 107.96 1xke s LEU 126 Ca 0.60 -0.34 0.09 0.00 0.69 0.00 0.00 54.13 55.17 1xke s LEU 126 Cb -0.36 -0.17 -0.05 0.00 -0.43 0.00 0.00 46.19 45.18 1xke s LEU 126 CO 0.34 -0.31 0.03 -1.10 -0.29 0.00 0.00 176.35 175.02 1xke s GLN 127 N 2.16 2.14 0.26 1.98 -0.21 -1.26 -5.01 119.66 119.73 1xke s GLN 127 Ca 0.03 -1.68 -0.29 0.00 0.02 0.00 0.00 55.36 53.44 1xke s GLN 127 Cb -0.15 -1.99 -0.09 0.00 1.00 0.00 0.00 33.01 31.78 1xke s GLN 127 CO -0.07 0.16 0.96 0.95 -2.12 0.00 0.00 175.29 175.17 1xke s THR 128 N -2.48 4.02 0.61 -0.19 -4.23 -1.26 -5.02 115.64 107.09 1xke s THR 128 Ca 0.35 1.95 -0.17 0.00 -1.18 0.00 0.00 61.69 62.65 1xke s THR 128 Cb -0.01 -4.21 -0.03 0.00 1.34 0.00 0.00 72.50 69.59 1xke s THR 128 CO 0.20 0.41 1.11 -2.16 -0.54 0.00 0.00 174.62 173.63 1xke s PRO 129 N -1.40 3.07 0.00 3.99 0.04 -1.26 -5.24 135.00 134.20 1xke s PRO 129 Ca 0.43 1.43 0.00 0.00 0.04 0.00 0.00 61.00 62.90 1xke s PRO 129 Cb -0.25 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.30 1xke s PRO 129 CO 0.31 -1.04 0.24 0.36 0.04 0.00 0.00 177.00 176.91