#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 6.46 0.00 1.61 0.15 -1.26 -4.22 113.70 116.45 1xke s SER 2 Ca 0.00 0.51 0.00 0.00 0.70 0.00 0.00 55.95 57.16 1xke s SER 2 Cb 0.00 -2.06 0.00 0.00 -1.71 0.00 0.00 66.02 62.25 1xke s SER 2 CO 0.00 0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.18 1xke n GLY 3 N 0.40 0.87 0.00 9.45 0.00 -1.26 -4.95 105.19 109.71 1xke n GLY 3 Ca -0.05 -0.60 0.01 0.00 0.00 0.00 0.00 46.02 45.38 1xke n GLY 3 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1xke n GLU 4 N -0.86 3.74 -3.65 1.61 2.13 -1.26 -5.03 120.64 117.33 1xke n GLU 4 Ca 0.00 -0.01 -0.01 0.00 0.66 0.00 0.00 57.16 57.80 1xke n GLU 4 Cb 0.36 -0.77 -0.04 0.00 0.27 0.00 0.00 31.44 31.26 1xke n GLU 4 CO 0.00 0.00 0.00 -1.83 -0.41 0.00 0.00 177.13 174.89 1xke s GLU 5 N -1.55 0.03 0.00 5.31 1.03 -1.26 -5.01 118.70 117.25 1xke s GLU 5 Ca 0.00 0.01 0.00 0.00 0.03 0.00 0.00 54.97 55.01 1xke s GLU 5 Cb 0.01 0.01 0.00 0.00 -0.80 0.00 0.00 34.13 33.35 1xke s GLU 5 CO 0.06 -0.01 0.00 -3.47 -1.33 0.00 0.00 175.26 170.51 1xke n ASP 6 N 0.49 0.00 -4.52 0.83 2.03 -1.26 -5.01 116.55 109.10 1xke n ASP 6 Ca 0.01 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 54.98 1xke n ASP 6 Cb 0.59 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 40.87 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 -0.84 2.76 0.15 -0.67 1.03 -1.26 -0.39 118.70 119.48 1xke s GLU 7 Ca 0.00 -0.61 0.09 0.00 0.03 0.00 0.00 54.97 54.48 1xke s GLU 7 Cb 0.00 -2.53 -0.04 0.00 -0.80 0.00 0.00 34.13 30.76 1xke s GLU 7 CO 0.00 0.59 -0.21 -1.59 -1.33 0.00 0.00 175.26 172.72 1xke s LYS 8 N -0.62 1.30 -0.23 -4.83 -2.85 0.17 -4.73 119.74 107.95 1xke s LYS 8 Ca 0.09 -1.36 -0.29 0.00 -1.00 0.00 0.00 55.97 53.42 1xke s LYS 8 Cb -0.11 -1.52 0.00 0.00 -2.06 0.00 0.00 37.83 34.14 1xke s LYS 8 CO 0.02 0.33 1.12 0.08 0.10 0.00 0.00 175.35 177.00 1xke s VAL 9 N -1.60 4.51 -0.18 1.79 1.01 -1.26 -0.48 120.40 124.20 1xke s VAL 9 Ca 0.14 1.81 -0.18 0.00 0.00 0.00 0.00 61.98 63.74 1xke s VAL 9 Cb -0.08 -4.23 -0.15 0.00 0.00 0.00 0.00 36.38 31.92 1xke s VAL 9 CO 0.07 -0.23 0.18 0.25 0.00 0.00 0.00 175.10 175.36 1xke h LEU 10 N 9.72 0.00 -7.60 3.92 7.12 -1.66 -3.49 115.31 123.31 1xke h LEU 10 Ca -0.22 -0.42 -0.18 0.00 0.13 0.00 0.00 57.88 57.19 1xke h LEU 10 Cb 1.07 0.00 -0.25 0.00 -0.53 0.00 0.00 40.66 40.95 1xke h LEU 10 CO 0.99 1.19 -0.51 -0.72 -0.13 0.00 0.00 178.44 179.26 1xke s TYR 11 N -2.26 -0.13 -0.07 1.25 1.13 -1.26 -5.04 117.35 110.96 1xke s TYR 11 Ca -0.22 0.32 0.02 0.00 -1.41 0.00 0.00 57.07 55.77 1xke s TYR 11 Cb 0.03 0.04 0.02 0.00 -1.10 0.00 0.00 41.96 40.95 1xke s TYR 11 CO 0.48 -0.13 -0.11 -1.54 -2.51 0.00 0.00 175.55 171.74 1xke s SER 12 N -0.24 1.75 0.06 -0.18 1.04 -1.25 -2.27 113.70 112.61 1xke s SER 12 Ca -0.03 -0.28 -0.12 0.00 0.48 0.00 0.00 55.95 55.99 1xke s SER 12 Cb -0.03 -0.79 0.02 0.00 0.10 0.00 0.00 66.02 65.32 1xke s SER 12 CO 0.01 -0.00 0.28 0.00 0.98 0.00 0.00 173.24 174.50 1xke s GLN 13 N 0.87 0.84 -0.12 4.02 -2.07 0.14 -4.90 119.66 118.45 1xke s GLN 13 Ca -0.11 -0.65 -0.29 0.00 -1.82 0.00 0.00 55.36 52.49 1xke s GLN 13 Cb -0.15 0.36 -0.01 0.00 -1.09 0.00 0.00 33.01 32.11 1xke s GLN 13 CO 0.01 -0.28 1.11 0.50 -1.32 0.00 0.00 175.29 175.32 1xke s ARG 14 N -3.02 4.34 0.28 9.60 3.52 -1.26 0.11 118.95 132.53 1xke s ARG 14 Ca -0.02 1.51 0.03 0.00 -0.13 0.00 0.00 55.73 57.12 1xke s ARG 14 Cb 0.01 -3.60 -0.04 0.00 -1.56 0.00 0.00 34.95 29.76 1xke s ARG 14 CO -0.06 -0.47 0.17 0.54 -0.81 0.00 0.00 175.30 174.66 1xke s VAL 15 N 2.51 0.23 -0.14 7.11 0.11 0.27 -4.81 120.40 125.68 1xke s VAL 15 Ca 0.51 -2.00 -0.01 0.00 -2.93 0.00 0.00 61.98 57.55 1xke s VAL 15 Cb -0.20 -2.52 -0.02 0.00 -1.53 0.00 0.00 36.38 32.12 1xke s VAL 15 CO 0.16 0.00 -0.11 -0.54 -3.33 0.00 0.00 175.10 171.29 1xke s LYS 16 N -3.85 3.44 0.03 1.54 3.01 -1.04 -0.20 119.74 122.68 1xke s LYS 16 Ca 0.37 -0.65 0.01 0.00 -1.01 0.00 0.00 55.97 54.69 1xke s LYS 16 Cb 0.05 -2.72 -0.04 0.00 -1.01 0.00 0.00 37.83 34.11 1xke s LYS 16 CO 0.18 0.18 0.10 -1.17 0.51 0.00 0.00 175.35 175.14 1xke s LEU 17 N 0.46 3.93 0.04 3.17 1.98 -0.96 -2.36 118.68 124.93 1xke s LEU 17 Ca -0.08 0.11 0.09 0.00 -2.89 0.00 0.00 54.13 51.36 1xke s LEU 17 Cb -0.15 -2.42 -0.03 0.00 0.66 0.00 0.00 46.19 44.25 1xke s LEU 17 CO 0.04 0.23 -0.25 -0.36 -1.89 0.00 0.00 176.35 174.12 1xke s PHE 18 N -1.29 2.36 0.09 5.38 0.40 0.16 0.11 117.98 125.18 1xke s PHE 18 Ca 0.26 -0.39 0.09 0.00 -0.60 0.00 0.00 56.93 56.29 1xke s PHE 18 Cb -0.12 -1.41 -0.04 0.00 0.51 0.00 0.00 43.02 41.96 1xke s PHE 18 CO 0.18 0.13 -0.20 0.50 0.70 0.00 0.00 175.22 176.54 1xke s ARG 19 N -1.22 1.82 -0.07 0.44 3.52 0.83 -2.30 118.95 121.96 1xke s ARG 19 Ca 0.12 -1.14 -0.23 0.00 -0.13 0.00 0.00 55.73 54.36 1xke s ARG 19 Cb -0.10 -2.10 -0.04 0.00 -1.56 0.00 0.00 34.95 31.15 1xke s ARG 19 CO 0.02 0.50 0.67 0.12 -0.81 0.00 0.00 175.30 175.80 1xke s PHE 20 N -1.04 3.57 -0.23 5.12 5.36 -1.23 -0.51 117.98 129.02 1xke s PHE 20 Ca 0.16 1.20 -0.23 0.00 -0.96 0.00 0.00 56.93 57.10 1xke s PHE 20 Cb -0.10 -2.76 -0.01 0.00 -0.34 0.00 0.00 43.02 39.80 1xke s PHE 20 CO 0.08 0.11 0.77 0.34 -1.46 0.00 0.00 175.22 175.05 1xke s ASP 21 N 0.74 6.79 0.19 6.13 -1.08 0.28 -4.81 116.67 124.91 1xke s ASP 21 Ca 0.36 0.97 -0.06 0.00 -0.52 0.00 0.00 52.55 53.30 1xke s ASP 21 Cb -0.17 -2.41 0.12 0.00 -1.46 0.00 0.00 42.92 38.99 1xke s ASP 21 CO 0.17 -0.44 1.58 0.00 0.52 0.00 0.00 175.17 177.00 1xke h ALA 22 N 7.65 0.78 0.03 3.66 0.00 -1.94 0.56 119.26 130.00 1xke h ALA 22 Ca -0.26 -0.40 -0.25 0.00 0.00 0.00 0.00 54.91 54.00 1xke h ALA 22 Cb 1.11 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 1xke h ALA 22 CO 0.84 0.65 -1.28 0.93 0.00 0.00 0.00 179.25 180.38 1xke h GLU 23 N 0.69 0.06 -0.00 0.00 4.39 -1.97 -3.34 114.58 114.41 1xke h GLU 23 Ca 0.08 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1xke h GLU 23 Cb 0.82 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.51 1xke h GLU 23 CO 0.07 0.91 -0.57 0.28 -1.16 0.00 0.00 179.01 178.53 1xke n VAL 24 N -3.30 0.00 -3.03 3.13 0.31 -1.20 -4.93 118.33 109.31 1xke n VAL 24 Ca -0.08 -0.21 -0.21 0.00 -0.01 0.00 0.00 64.34 63.83 1xke n VAL 24 Cb 0.99 1.05 0.01 0.00 -0.91 0.00 0.00 33.84 34.99 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 -0.98 -4.92 -4.32 4.52 7.64 0.19 -4.93 113.62 110.81 1xke n SER 25 Ca 0.04 -0.24 -0.28 0.00 1.01 0.00 0.00 58.87 59.39 1xke n SER 25 Cb 0.25 -4.03 -0.14 0.00 -1.01 0.00 0.00 64.21 59.28 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 -5.69 1.58 -0.65 1.43 0.74 -1.04 -4.66 119.66 111.38 1xke s GLN 26 Ca 0.28 -1.10 -0.26 0.00 0.05 0.00 0.00 55.36 54.33 1xke s GLN 26 Cb -0.14 -1.79 0.04 0.00 1.10 0.00 0.00 33.01 32.22 1xke s GLN 26 CO 0.34 0.45 1.14 1.67 -0.55 0.00 0.00 175.29 178.35 1xke s TRP 27 N -0.86 2.53 0.01 1.67 -2.14 -1.26 0.10 118.94 118.98 1xke s TRP 27 Ca 0.11 0.01 0.06 0.00 2.66 0.00 0.00 56.10 58.94 1xke s TRP 27 Cb -0.10 -4.44 -0.02 0.00 -3.10 0.00 0.00 33.47 25.81 1xke s TRP 27 CO 0.03 -1.74 -0.19 -1.59 -2.66 0.00 0.00 176.95 170.80 1xke s LYS 28 N 4.93 1.45 0.28 3.25 0.00 0.33 -4.92 119.74 125.07 1xke s LYS 28 Ca 0.34 -0.76 -0.30 0.00 0.00 0.00 0.00 55.97 55.25 1xke s LYS 28 Cb -0.10 -1.46 -0.11 0.00 0.00 0.00 0.00 37.83 36.17 1xke s LYS 28 CO 0.18 0.39 1.48 -1.83 0.00 0.00 0.00 175.35 175.57 1xke s GLU 29 N -0.71 4.21 -0.09 1.78 -1.05 -1.26 -0.12 118.70 121.46 1xke s GLU 29 Ca 0.07 2.41 -0.15 0.00 -0.15 0.00 0.00 54.97 57.14 1xke s GLU 29 Cb -0.08 -3.06 -0.28 0.00 -0.44 0.00 0.00 34.13 30.27 1xke s GLU 29 CO 0.00 -0.47 0.61 -0.09 0.95 0.00 0.00 175.26 176.26 1xke h ARG 30 N 4.58 0.28 0.00 -4.83 2.43 0.47 -3.45 114.38 113.87 1xke h ARG 30 Ca -0.47 -0.48 0.00 0.00 -0.81 0.00 0.00 59.98 58.21 1xke h ARG 30 Cb 1.22 0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.95 1xke h ARG 30 CO 0.75 1.23 0.00 0.41 -1.51 0.00 0.00 179.97 180.86 1xke n GLY 31 N 1.76 -0.51 3.40 2.80 0.00 -1.16 -5.00 105.19 106.48 1xke n GLY 31 Ca -0.24 0.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 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 2.38 -0.14 0.99 1.43 -1.26 -2.28 118.68 119.79 1xke s LEU 32 Ca 0.00 -0.53 -0.11 0.00 -1.03 0.00 0.00 54.13 52.46 1xke s LEU 32 Cb 0.00 -1.39 0.04 0.00 0.03 0.00 0.00 46.19 44.88 1xke s LEU 32 CO 0.00 0.25 0.36 -0.83 0.23 0.00 0.00 176.35 176.37 1xke s GLY 33 N -1.37 -0.27 -0.44 -3.19 0.00 0.73 -3.78 107.32 98.99 1xke s GLY 33 Ca 0.13 1.15 -0.23 0.00 0.00 0.00 0.00 44.72 45.77 1xke s GLY 33 CO 0.04 1.12 0.78 0.21 0.00 0.00 0.00 173.10 175.24 1xke s ASN 34 N 0.60 6.41 -0.27 1.64 2.47 0.13 0.95 114.94 126.88 1xke s ASN 34 Ca -0.03 -0.09 -0.22 0.00 0.42 0.00 0.00 52.86 52.93 1xke s ASN 34 Cb -0.05 -2.38 -0.01 0.00 -1.45 0.00 0.00 41.25 37.36 1xke s ASN 34 CO -0.04 -0.90 0.73 -0.22 -3.72 0.00 0.00 177.10 172.96 1xke s LEU 35 N 3.25 4.08 0.06 3.21 1.98 0.30 -2.32 118.68 129.25 1xke s LEU 35 Ca 0.30 0.75 0.04 0.00 -2.89 0.00 0.00 54.13 52.33 1xke s LEU 35 Cb -0.12 -3.00 -0.03 0.00 0.66 0.00 0.00 46.19 43.70 1xke s LEU 35 CO 0.22 -0.49 -0.13 -1.59 -1.89 0.00 0.00 176.35 172.47 1xke s LYS 36 N 2.74 0.76 -0.16 1.98 -2.85 0.55 0.29 119.74 123.05 1xke s LYS 36 Ca 0.30 -0.89 -0.03 0.00 -1.00 0.00 0.00 55.97 54.35 1xke s LYS 36 Cb -0.15 -0.72 -0.02 0.00 -2.06 0.00 0.00 37.83 34.88 1xke s LYS 36 CO 0.10 0.16 -0.05 0.42 0.10 0.00 0.00 175.35 176.07 1xke s ILE 37 N -1.24 3.72 -0.14 3.79 -1.09 -0.96 -0.83 121.20 124.44 1xke s ILE 37 Ca -0.03 -0.42 -0.03 0.00 -2.23 0.00 0.00 60.65 57.94 1xke s ILE 37 Cb -0.10 -2.63 -0.03 0.00 -1.58 0.00 0.00 42.46 38.13 1xke s ILE 37 CO 0.02 0.49 -0.04 -0.76 -1.23 0.00 0.00 174.94 173.42 1xke s LEU 38 N 0.47 3.25 -0.12 2.97 1.02 -0.11 -1.53 118.68 124.63 1xke s LEU 38 Ca -0.04 -0.10 0.01 0.00 0.02 0.00 0.00 54.13 54.02 1xke s LEU 38 Cb -0.15 -1.77 -0.01 0.00 0.02 0.00 0.00 46.19 44.29 1xke s LEU 38 CO 0.03 0.20 -0.17 -1.59 0.02 0.00 0.00 176.35 174.84 1xke s LYS 39 N 0.15 3.24 0.50 1.70 -2.85 0.37 0.18 119.74 123.03 1xke s LYS 39 Ca -0.02 -0.77 -0.23 0.00 -1.00 0.00 0.00 55.97 53.96 1xke s LYS 39 Cb -0.14 -2.50 -0.06 0.00 -2.06 0.00 0.00 37.83 33.07 1xke s LYS 39 CO 0.03 0.18 1.30 -0.80 0.10 0.00 0.00 175.35 176.15 1xke s ASN 40 N 0.40 5.70 0.53 0.03 -0.87 -1.18 -0.65 114.94 118.90 1xke s ASN 40 Ca -0.13 2.62 0.31 0.00 -1.57 0.00 0.00 52.86 54.09 1xke s ASN 40 Cb -0.17 -2.63 1.31 0.00 -0.02 0.00 0.00 41.25 39.75 1xke s ASN 40 CO 0.06 -1.26 1.97 -0.33 -2.57 0.00 0.00 177.10 174.97 1xke h GLU 41 N 1.83 0.00 0.00 -0.60 4.39 -1.09 0.12 114.58 119.23 1xke h GLU 41 Ca -0.50 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.14 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 0.06 -0.29 0.28 -1.16 0.00 0.00 179.01 178.50 1xke h VAL 42 N 0.00 0.49 -5.92 3.13 2.07 -1.90 -3.47 116.25 110.64 1xke h VAL 42 Ca -0.00 -1.69 -0.41 0.00 0.82 0.00 0.00 66.70 65.42 1xke h VAL 42 Cb 0.54 2.24 0.11 0.00 -1.52 0.00 0.00 31.29 32.65 1xke h VAL 42 CO 0.01 0.28 -0.70 -3.20 0.02 0.00 0.00 177.57 173.97 1xke n ASN 43 N -3.17 -5.67 0.11 0.57 5.15 0.41 -4.94 115.26 107.72 1xke n ASN 43 Ca 0.03 -0.60 -0.12 0.00 -0.60 0.00 0.00 54.58 53.30 1xke n ASN 43 Cb 0.65 -4.81 -0.07 0.00 -0.53 0.00 0.00 39.78 35.01 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 -2.52 -0.35 -3.17 8.20 0.00 -1.92 -3.46 103.07 99.85 1xke h GLY 44 Ca -0.57 0.13 -0.22 0.00 0.00 0.00 0.00 47.33 46.66 1xke h GLY 44 CO 0.58 -0.13 -0.70 0.54 0.00 0.00 0.00 176.54 176.83 1xke s LYS 45 N -3.89 0.80 0.17 4.80 1.02 -1.26 -5.04 119.74 116.34 1xke s LYS 45 Ca -0.13 -1.29 0.10 0.00 0.02 0.00 0.00 55.97 54.68 1xke s LYS 45 Cb 0.01 -0.20 -0.04 0.00 -0.52 0.00 0.00 37.83 37.08 1xke s LYS 45 CO 0.48 -0.02 -0.22 -0.51 -0.92 0.00 0.00 175.35 174.16 1xke s LEU 46 N -2.92 2.42 0.22 3.17 2.01 -1.26 -3.08 118.68 119.22 1xke s LEU 46 Ca 0.10 -0.84 0.11 0.00 0.01 0.00 0.00 54.13 53.51 1xke s LEU 46 Cb 0.04 -1.03 -0.05 0.00 0.01 0.00 0.00 46.19 45.16 1xke s LEU 46 CO -0.05 0.07 -0.22 -0.13 1.01 0.00 0.00 176.35 177.04 1xke s ARG 47 N -2.60 1.52 -0.15 1.70 1.81 0.13 -1.75 118.95 119.60 1xke s ARG 47 Ca 0.17 -1.59 -0.00 0.00 -1.72 0.00 0.00 55.73 52.60 1xke s ARG 47 Cb -0.08 -1.71 0.03 0.00 -0.45 0.00 0.00 34.95 32.74 1xke s ARG 47 CO 0.08 0.35 -0.09 1.41 -0.68 0.00 0.00 175.30 176.37 1xke s MET 48 N -2.99 1.78 0.06 3.54 1.75 0.29 -0.94 119.30 122.79 1xke s MET 48 Ca 0.23 -0.51 0.03 0.00 -1.25 0.00 0.00 55.69 54.19 1xke s MET 48 Cb -0.06 -1.99 -0.03 0.00 2.84 0.00 0.00 34.83 35.59 1xke s MET 48 CO 0.11 -0.34 -0.10 -0.48 -0.65 0.00 0.00 175.02 173.56 1xke s LEU 49 N 1.58 2.28 -0.12 4.11 0.05 -0.01 0.19 118.68 126.75 1xke s LEU 49 Ca 0.03 -0.61 0.02 0.00 0.05 0.00 0.00 54.13 53.62 1xke s LEU 49 Cb -0.14 -0.30 0.01 0.00 -2.05 0.00 0.00 46.19 43.72 1xke s LEU 49 CO -0.09 -0.17 -0.18 0.00 -0.55 0.00 0.00 176.35 175.36 1xke s MET 50 N -1.79 2.56 0.08 1.48 0.23 -1.13 -0.33 119.30 120.41 1xke s MET 50 Ca -0.05 -0.68 0.07 0.00 -1.03 0.00 0.00 55.69 53.99 1xke s MET 50 Cb -0.09 -2.13 -0.04 0.00 -1.53 0.00 0.00 34.83 31.04 1xke s MET 50 CO 0.01 -0.05 -0.11 0.50 -2.03 0.00 0.00 175.02 173.33 1xke s ARG 51 N 0.94 2.15 0.01 3.16 3.52 -0.98 0.69 118.95 128.44 1xke s ARG 51 Ca -0.06 -0.99 -0.30 0.00 -0.13 0.00 0.00 55.73 54.25 1xke s ARG 51 Cb -0.15 -2.30 -0.06 0.00 -1.56 0.00 0.00 34.95 30.88 1xke s ARG 51 CO -0.02 0.52 1.47 1.03 -0.81 0.00 0.00 175.30 177.49 1xke s ARG 52 N -1.99 4.25 0.00 5.12 1.81 -0.01 0.18 118.95 128.31 1xke s ARG 52 Ca 0.20 2.06 0.00 0.00 -1.72 0.00 0.00 55.73 56.26 1xke s ARG 52 Cb -0.11 -3.62 0.00 0.00 -0.45 0.00 0.00 34.95 30.78 1xke s ARG 52 CO 0.11 -0.64 0.37 -1.91 -0.68 0.00 0.00 175.30 172.55 1xke n GLU 53 N 5.59 0.00 0.00 3.54 0.00 -1.25 -0.57 120.64 127.95 1xke n GLU 53 Ca 0.14 0.35 0.14 0.00 0.00 0.00 0.00 57.16 57.78 1xke n GLU 53 Cb 0.43 -0.87 0.56 0.00 0.00 0.00 0.00 31.44 31.56 1xke n GLU 53 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1xke n GLN 54 N -0.71 0.25 0.00 5.31 1.13 -1.26 -3.60 117.38 118.50 1xke n GLN 54 Ca 0.00 -0.07 0.15 0.00 -1.94 0.00 0.00 57.00 55.14 1xke n GLN 54 Cb 0.00 -1.50 0.71 0.00 0.11 0.00 0.00 30.24 29.56 1xke n GLN 54 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1xke n VAL 55 N -1.32 0.00 -0.79 5.09 0.31 -0.84 -4.91 118.33 115.87 1xke n VAL 55 Ca 0.10 -0.07 -0.02 0.00 -0.01 0.00 0.00 64.34 64.34 1xke n VAL 55 Cb 0.31 -0.16 -0.01 0.00 -0.91 0.00 0.00 33.84 33.07 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 -0.84 0.47 -3.95 7.52 7.94 0.26 -4.86 117.00 123.55 1xke n LEU 56 Ca 0.18 0.05 -0.31 0.00 -1.11 0.00 0.00 56.01 54.82 1xke n LEU 56 Cb 0.24 -1.92 -0.15 0.00 0.53 0.00 0.00 43.42 42.11 1xke n LEU 56 CO 0.21 -0.70 -0.39 -0.75 -1.11 0.00 0.00 177.39 174.65 1xke s LYS 57 N -1.62 1.52 0.00 1.96 2.20 -1.22 -4.84 119.74 117.74 1xke s LYS 57 Ca 0.00 -1.29 0.00 0.00 -0.36 0.00 0.00 55.97 54.32 1xke s LYS 57 Cb 0.00 -2.70 0.00 0.00 -1.51 0.00 0.00 37.83 33.62 1xke s LYS 57 CO 0.00 -0.75 0.00 1.55 -0.36 0.00 0.00 175.35 175.79 1xke n VAL 58 N 4.56 0.00 -0.10 4.02 3.14 -1.26 -0.83 118.33 127.85 1xke n VAL 58 Ca -0.06 0.00 -0.15 0.00 -2.96 0.00 0.00 64.34 61.16 1xke n VAL 58 Cb 0.43 0.00 -0.09 0.00 -1.06 0.00 0.00 33.84 33.12 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 -2.41 -0.05 -0.44 0.00 0.00 -1.17 -3.62 121.76 114.07 1xke s ALA 60 Ca -0.28 0.46 -0.08 0.00 0.00 0.00 0.00 51.96 52.05 1xke s ALA 60 Cb 0.08 -0.68 0.10 0.00 0.00 0.00 0.00 23.12 22.62 1xke s ALA 60 CO 0.46 -0.46 0.28 1.21 0.00 0.00 0.00 175.76 177.25 1xke s ASN 61 N 2.03 5.61 0.09 0.00 2.47 -1.26 -2.82 114.94 121.06 1xke s ASN 61 Ca 0.01 -1.71 0.01 0.00 0.42 0.00 0.00 52.86 51.60 1xke s ASN 61 Cb -0.12 -1.98 -0.04 0.00 -1.45 0.00 0.00 41.25 37.67 1xke s ASN 61 CO -0.05 -0.59 0.20 -1.00 -3.72 0.00 0.00 177.10 171.93 1xke s HIS 62 N 1.37 3.43 0.17 0.43 3.76 0.13 -3.67 115.29 120.90 1xke s HIS 62 Ca 0.04 0.17 -0.21 0.00 -0.15 0.00 0.00 55.06 54.92 1xke s HIS 62 Cb -0.24 -1.70 -0.08 0.00 1.11 0.00 0.00 32.58 31.67 1xke s HIS 62 CO 0.00 0.56 0.69 -1.58 -0.85 0.00 0.00 174.74 173.56 1xke s TRP 63 N -1.55 3.75 -0.52 1.40 0.51 -1.26 0.11 118.94 121.37 1xke s TRP 63 Ca 0.34 1.40 -0.17 0.00 -2.12 0.00 0.00 56.10 55.55 1xke s TRP 63 Cb -0.12 -2.61 0.09 0.00 -0.81 0.00 0.00 33.47 30.01 1xke s TRP 63 CO 0.27 0.45 0.55 -1.50 -0.51 0.00 0.00 176.95 176.20 1xke s ILE 64 N -1.33 5.04 0.07 2.03 -1.16 -0.72 -4.78 121.20 120.36 1xke s ILE 64 Ca 0.37 -0.97 -0.05 0.00 -0.51 0.00 0.00 60.65 59.50 1xke s ILE 64 Cb -0.19 -4.29 -0.02 0.00 0.61 0.00 0.00 42.46 38.57 1xke s ILE 64 CO 0.22 -0.81 0.09 0.28 -2.81 0.00 0.00 174.94 171.90 1xke s THR 65 N 2.14 0.18 -1.71 4.00 -1.32 -1.26 -4.62 115.64 113.05 1xke s THR 65 Ca 0.09 -1.44 0.26 0.00 -1.21 0.00 0.00 61.69 59.38 1xke s THR 65 Cb -0.24 -1.38 0.59 0.00 -1.51 0.00 0.00 72.50 69.97 1xke s THR 65 CO 0.07 -0.80 1.89 0.41 -2.21 0.00 0.00 174.62 173.99 1xke n THR 66 N 0.09 0.10 1.89 5.08 -1.04 -1.26 -2.66 114.28 116.48 1xke n THR 66 Ca -0.15 0.02 0.09 0.00 -2.04 0.00 0.00 64.05 61.97 1xke n THR 66 Cb 0.61 -0.61 0.48 0.00 -1.82 0.00 0.00 70.33 68.99 1xke n THR 66 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1xke n THR 67 N -1.15 0.03 -4.21 12.58 -1.04 -1.26 -4.67 114.28 114.57 1xke n THR 67 Ca 0.16 -0.05 -0.12 0.00 -2.04 0.00 0.00 64.05 61.99 1xke n THR 67 Cb 0.15 -0.17 -0.10 0.00 -1.82 0.00 0.00 70.33 68.38 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 -1.97 1.15 -0.00 -2.82 0.00 -1.09 -5.10 119.30 109.48 1xke s MET 68 Ca 0.26 -1.59 -0.00 0.00 0.00 0.00 0.00 55.69 54.35 1xke s MET 68 Cb 0.12 0.13 -0.00 0.00 0.00 0.00 0.00 34.83 35.08 1xke s MET 68 CO 0.20 -0.32 0.01 1.21 0.00 0.00 0.00 175.02 176.12 1xke s ASN 69 N -3.16 0.00 -0.18 1.11 3.84 -1.26 -4.92 114.94 110.37 1xke s ASN 69 Ca 0.33 -0.01 -0.07 0.00 0.21 0.00 0.00 52.86 53.33 1xke s ASN 69 Cb 0.07 0.02 -0.04 0.00 -0.55 0.00 0.00 41.25 40.76 1xke s ASN 69 CO 0.09 -0.02 0.05 -1.48 -2.79 0.00 0.00 177.10 172.95 1xke s LEU 70 N -0.07 3.75 -0.06 3.21 0.05 -1.26 -2.82 118.68 121.48 1xke s LEU 70 Ca -0.01 0.05 0.03 0.00 0.05 0.00 0.00 54.13 54.25 1xke s LEU 70 Cb -0.01 -1.95 0.01 0.00 -2.05 0.00 0.00 46.19 42.20 1xke s LEU 70 CO -0.00 0.17 -0.13 -0.75 -0.55 0.00 0.00 176.35 175.08 1xke s LYS 71 N 0.42 1.64 0.25 1.48 2.20 0.16 -4.94 119.74 120.96 1xke s LYS 71 Ca 0.02 -0.45 -0.30 0.00 -0.36 0.00 0.00 55.97 54.89 1xke s LYS 71 Cb -0.13 -1.38 -0.09 0.00 -1.51 0.00 0.00 37.83 34.72 1xke s LYS 71 CO 0.01 0.09 1.20 -2.14 -0.36 0.00 0.00 175.35 174.14 1xke s PRO 72 N 0.46 4.51 0.00 4.03 0.02 -1.26 -0.66 135.00 142.10 1xke s PRO 72 Ca -0.11 1.95 0.00 0.00 0.02 0.00 0.00 61.00 62.86 1xke s PRO 72 Cb -0.14 -3.18 0.00 0.00 0.02 0.00 0.00 34.50 31.20 1xke s PRO 72 CO 0.03 -0.02 0.00 1.47 -0.33 0.00 0.00 177.00 178.15 1xke n LEU 73 N 1.65 0.00 -4.87 -5.54 -0.00 -1.26 -4.93 117.00 102.06 1xke n LEU 73 Ca 0.02 0.00 -0.33 0.00 -0.00 0.00 0.00 56.01 55.70 1xke n LEU 73 Cb 0.44 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.80 1xke n LEU 73 CO 0.56 -0.46 -0.19 -0.44 -0.00 0.00 0.00 177.39 176.86 1xke s SER 74 N -1.00 6.13 0.00 1.45 0.01 -1.26 -4.39 113.70 114.64 1xke s SER 74 Ca 0.00 0.25 0.00 0.00 1.31 0.00 0.00 55.95 57.51 1xke s SER 74 Cb 0.00 -1.86 0.00 0.00 0.21 0.00 0.00 66.02 64.37 1xke s SER 74 CO 0.00 0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.50 1xke n GLY 75 N 0.84 1.77 3.81 3.44 0.00 -1.26 -4.99 105.19 108.80 1xke n GLY 75 Ca -0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 1xke n GLY 75 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xke s SER 76 N -2.94 7.02 -0.19 1.61 1.04 -1.26 -4.96 113.70 114.02 1xke s SER 76 Ca 0.00 1.76 -0.18 0.00 0.48 0.00 0.00 55.95 58.01 1xke s SER 76 Cb 0.00 -2.55 -0.14 0.00 0.10 0.00 0.00 66.02 63.43 1xke s SER 76 CO 0.00 -0.30 0.10 -2.24 0.98 0.00 0.00 173.24 171.77 1xke h ASP 77 N 2.28 0.00 -0.09 7.02 3.04 -1.94 -3.44 116.42 123.29 1xke h ASP 77 Ca -0.48 -0.35 -0.18 0.00 -3.24 0.00 0.00 57.03 52.78 1xke h ASP 77 Cb 1.19 0.00 -0.21 0.00 -1.04 0.00 0.00 39.33 39.27 1xke h ASP 77 CO 0.62 1.25 -0.49 0.54 -2.04 0.00 0.00 179.24 179.12 1xke n ARG 78 N -4.49 1.19 -4.05 4.15 5.12 -1.26 -5.01 116.66 112.31 1xke n ARG 78 Ca -0.24 -1.71 -0.29 0.00 -1.93 0.00 0.00 57.85 53.69 1xke n ARG 78 Cb 0.55 -0.01 -0.06 0.00 -1.16 0.00 0.00 32.46 31.77 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 -0.73 3.61 0.07 7.54 0.00 -1.26 -3.77 121.76 127.22 1xke s ALA 79 Ca 0.13 -1.07 -0.03 0.00 0.00 0.00 0.00 51.96 50.99 1xke s ALA 79 Cb 0.36 -1.45 -0.03 0.00 0.00 0.00 0.00 23.12 22.00 1xke s ALA 79 CO -0.10 0.66 0.04 1.67 0.00 0.00 0.00 175.76 178.04 1xke s TRP 80 N -1.53 0.49 0.05 0.00 1.48 -1.17 -3.98 118.94 114.28 1xke s TRP 80 Ca 0.30 -0.98 0.04 0.00 -1.06 0.00 0.00 56.10 54.40 1xke s TRP 80 Cb -0.11 -0.32 -0.03 0.00 -1.16 0.00 0.00 33.47 31.85 1xke s TRP 80 CO 0.23 -0.45 -0.11 0.00 -4.06 0.00 0.00 176.95 172.56 1xke s MET 81 N -3.93 0.69 0.04 3.25 0.23 0.16 -1.81 119.30 117.94 1xke s MET 81 Ca 0.09 -0.83 0.02 0.00 -1.03 0.00 0.00 55.69 53.95 1xke s MET 81 Cb 0.07 -0.60 -0.02 0.00 -1.53 0.00 0.00 34.83 32.74 1xke s MET 81 CO -0.08 0.13 -0.08 1.67 -2.03 0.00 0.00 175.02 174.62 1xke s TRP 82 N -1.24 0.72 -0.20 3.16 -2.14 -0.23 0.40 118.94 119.41 1xke s TRP 82 Ca -0.05 -0.50 -0.04 0.00 2.66 0.00 0.00 56.10 58.17 1xke s TRP 82 Cb -0.10 -0.43 -0.02 0.00 -3.10 0.00 0.00 33.47 29.83 1xke s TRP 82 CO 0.01 -0.07 -0.02 -0.48 -2.66 0.00 0.00 176.95 173.73 1xke s LEU 83 N -1.59 3.11 0.15 -4.66 2.34 -1.13 -1.60 118.68 115.29 1xke s LEU 83 Ca -0.09 -0.27 -0.10 0.00 0.06 0.00 0.00 54.13 53.73 1xke s LEU 83 Cb -0.10 -1.78 0.00 0.00 -0.56 0.00 0.00 46.19 43.75 1xke s LEU 83 CO 0.01 0.05 0.30 0.00 -1.06 0.00 0.00 176.35 175.64 1xke s ALA 84 N 1.09 -0.23 -0.38 1.48 0.00 -0.57 -4.52 121.76 118.63 1xke s ALA 84 Ca 0.02 -0.69 -0.23 0.00 0.00 0.00 0.00 51.96 51.06 1xke s ALA 84 Cb -0.14 0.77 0.01 0.00 0.00 0.00 0.00 23.12 23.75 1xke s ALA 84 CO 0.01 -0.63 0.77 -1.54 0.00 0.00 0.00 175.76 174.36 1xke s SER 85 N -2.92 6.50 0.05 0.00 1.04 -1.26 -1.57 113.70 115.54 1xke s SER 85 Ca 0.12 0.21 0.04 0.00 0.48 0.00 0.00 55.95 56.80 1xke s SER 85 Cb 0.03 -2.39 -0.04 0.00 0.10 0.00 0.00 66.02 63.73 1xke s SER 85 CO -0.04 -0.76 -0.01 1.51 0.98 0.00 0.00 173.24 174.92 1xke s ASP 86 N 1.91 5.02 0.00 7.02 -4.77 -1.07 -4.53 116.67 120.25 1xke s ASP 86 Ca 0.30 -0.12 0.00 0.00 -3.30 0.00 0.00 52.55 49.44 1xke s ASP 86 Cb -0.13 -1.23 0.00 0.00 -1.09 0.00 0.00 42.92 40.47 1xke s ASP 86 CO 0.18 0.22 0.00 0.33 0.70 0.00 0.00 175.17 176.60 1xke n PHE 87 N 0.94 0.00 -0.01 2.11 -0.00 -1.24 -1.03 117.46 118.23 1xke n PHE 87 Ca -0.12 0.00 -0.06 0.00 -0.00 0.00 0.00 57.45 57.27 1xke n PHE 87 Cb 0.52 0.00 0.15 0.00 -0.00 0.00 0.00 39.48 40.15 1xke n PHE 87 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 1xke h SER 88 N 0.00 0.58 0.00 -2.13 0.87 -1.83 -3.36 113.55 107.68 1xke h SER 88 Ca 0.00 -0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.34 1xke h SER 88 Cb 0.00 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 61.80 1xke h SER 88 CO 0.00 0.85 -0.06 -0.67 -0.53 0.00 0.00 176.83 176.42 1xke n ASP 89 N -4.09 0.00 0.00 6.23 2.03 -1.26 -4.99 116.55 114.47 1xke n ASP 89 Ca -0.01 -1.12 0.00 0.00 0.52 0.00 0.00 54.79 54.19 1xke n ASP 89 Cb 0.45 -0.02 0.00 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 0.77 0.15 0.27 0.00 -1.26 -4.88 105.19 100.24 1xke n GLY 90 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 1xke n GLY 90 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1xke h ASP 91 N 0.00 0.00 -2.80 1.61 3.58 -1.92 -3.43 116.42 113.46 1xke h ASP 91 Ca 0.00 0.00 -0.64 0.00 0.42 0.00 0.00 57.03 56.81 1xke h ASP 91 Cb 0.00 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 40.99 1xke h ASP 91 CO 0.00 0.08 -0.44 0.00 -2.88 0.00 0.00 179.24 176.00 1xke s ALA 92 N -3.25 3.89 0.26 -0.78 0.00 -1.24 -4.99 121.76 115.65 1xke s ALA 92 Ca 0.02 -0.64 0.02 0.00 0.00 0.00 0.00 51.96 51.36 1xke s ALA 92 Cb 0.08 -1.99 -0.04 0.00 0.00 0.00 0.00 23.12 21.17 1xke s ALA 92 CO 0.75 0.66 0.18 0.21 0.00 0.00 0.00 175.76 177.56 1xke s LYS 93 N -1.57 1.44 -0.26 0.00 2.20 -0.20 -4.05 119.74 117.31 1xke s LYS 93 Ca 0.24 -1.80 -0.24 0.00 -0.36 0.00 0.00 55.97 53.81 1xke s LYS 93 Cb -0.13 0.19 -0.01 0.00 -1.51 0.00 0.00 37.83 36.38 1xke s LYS 93 CO 0.13 -0.47 0.79 -0.48 -0.36 0.00 0.00 175.35 174.96 1xke s LEU 94 N -3.27 4.08 0.16 5.43 2.34 -1.25 -2.60 118.68 123.58 1xke s LEU 94 Ca 0.39 0.91 -0.08 0.00 0.06 0.00 0.00 54.13 55.41 1xke s LEU 94 Cb 0.05 -3.11 -0.01 0.00 -0.56 0.00 0.00 46.19 42.56 1xke s LEU 94 CO 0.18 -0.51 0.25 -1.61 -1.06 0.00 0.00 176.35 173.60 1xke s GLU 95 N 2.81 1.13 -0.37 1.48 2.02 -0.61 -4.95 118.70 120.21 1xke s GLU 95 Ca 0.33 -1.22 -0.14 0.00 0.02 0.00 0.00 54.97 53.96 1xke s GLU 95 Cb -0.15 0.36 0.00 0.00 0.10 0.00 0.00 34.13 34.44 1xke s GLU 95 CO 0.08 -0.40 0.26 -0.65 0.02 0.00 0.00 175.26 174.57 1xke s GLN 96 N -3.98 3.19 0.11 1.61 -0.21 -1.26 -1.51 119.66 117.61 1xke s GLN 96 Ca 0.19 -0.86 0.09 0.00 0.02 0.00 0.00 55.36 54.80 1xke s GLN 96 Cb 0.04 -3.87 -0.04 0.00 1.00 0.00 0.00 33.01 30.14 1xke s GLN 96 CO 0.01 -0.60 -0.21 -0.51 -2.12 0.00 0.00 175.29 171.85 1xke s LEU 97 N 1.68 2.55 0.28 2.90 1.43 -0.63 -3.52 118.68 123.38 1xke s LEU 97 Ca 0.05 -0.61 0.08 0.00 -1.03 0.00 0.00 54.13 52.63 1xke s LEU 97 Cb -0.18 -1.43 -0.06 0.00 0.03 0.00 0.00 46.19 44.55 1xke s LEU 97 CO 0.10 0.19 -0.11 0.00 0.23 0.00 0.00 176.35 176.76 1xke s ALA 98 N -1.08 2.46 -0.01 4.21 0.00 -0.97 -1.07 121.76 125.29 1xke s ALA 98 Ca 0.16 -1.88 -0.09 0.00 0.00 0.00 0.00 51.96 50.14 1xke s ALA 98 Cb -0.10 0.01 0.01 0.00 0.00 0.00 0.00 23.12 23.03 1xke s ALA 98 CO 0.08 0.05 0.19 0.00 0.00 0.00 0.00 175.76 176.08 1xke s ALA 99 N -2.84 -0.47 -0.01 0.00 0.00 -0.75 0.39 121.76 118.08 1xke s ALA 99 Ca 0.29 0.07 0.04 0.00 0.00 0.00 0.00 51.96 52.35 1xke s ALA 99 Cb 0.01 0.05 -0.01 0.00 0.00 0.00 0.00 23.12 23.17 1xke s ALA 99 CO 0.12 -0.21 -0.13 -1.59 0.00 0.00 0.00 175.76 173.95 1xke s LYS 100 N -1.21 1.04 0.37 0.00 -2.85 -0.99 -3.07 119.74 113.03 1xke s LYS 100 Ca -0.13 -0.48 0.06 0.00 -1.00 0.00 0.00 55.97 54.42 1xke s LYS 100 Cb -0.06 -1.01 -0.00 0.00 -2.06 0.00 0.00 37.83 34.70 1xke s LYS 100 CO 0.02 0.27 0.52 -0.06 0.10 0.00 0.00 175.35 176.21 1xke s PHE 101 N -0.34 3.05 0.27 1.78 0.40 -1.26 -2.48 117.98 119.39 1xke s PHE 101 Ca 0.05 -0.21 0.00 0.00 -0.60 0.00 0.00 56.93 56.17 1xke s PHE 101 Cb -0.05 -2.14 0.58 0.00 0.51 0.00 0.00 43.02 41.92 1xke s PHE 101 CO -0.00 -0.17 1.74 0.87 0.70 0.00 0.00 175.22 178.36 1xke h LYS 102 N 0.76 0.53 -4.15 0.44 1.57 -1.93 -3.44 116.57 110.35 1xke h LYS 102 Ca -0.44 -0.03 -0.13 0.00 -1.87 0.00 0.00 60.65 58.17 1xke h LYS 102 Cb 1.26 -0.12 -0.14 0.00 0.08 0.00 0.00 32.23 33.31 1xke h LYS 102 CO 0.51 0.35 -0.54 0.95 -0.57 0.00 0.00 179.45 180.15 1xke s THR 103 N -5.95 0.14 -0.94 -0.16 -4.23 -1.26 -5.01 115.64 98.23 1xke s THR 103 Ca -0.12 -1.64 0.01 0.00 -1.18 0.00 0.00 61.69 58.76 1xke s THR 103 Cb 0.23 -1.70 0.01 0.00 1.34 0.00 0.00 72.50 72.37 1xke s THR 103 CO 0.78 -0.64 1.01 -2.65 -0.54 0.00 0.00 174.62 172.58 1xke n PRO 104 N -0.04 0.01 0.02 3.99 -0.02 -1.26 -0.14 135.00 137.56 1xke n PRO 104 Ca -0.10 0.49 -0.13 0.00 -2.02 0.00 0.00 63.50 61.74 1xke n PRO 104 Cb 0.62 -1.53 -0.09 0.00 -0.02 0.00 0.00 33.50 32.48 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 -0.11 -0.08 -0.52 4.81 -1.95 0.85 114.58 117.58 1xke h GLU 105 Ca 0.00 0.01 -0.21 0.00 -0.13 0.00 0.00 59.36 59.03 1xke h GLU 105 Cb 0.03 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.43 1xke h GLU 105 CO 0.00 0.36 -0.81 -0.07 -0.73 0.00 0.00 179.01 177.77 1xke h LEU 106 N -0.64 0.64 -0.04 1.64 -0.00 -1.48 -0.87 115.31 114.56 1xke h LEU 106 Ca -0.01 -0.45 -0.04 0.00 -0.00 0.00 0.00 57.88 57.38 1xke h LEU 106 Cb 0.52 -0.19 0.00 0.00 -0.00 0.00 0.00 40.66 40.99 1xke h LEU 106 CO 0.02 1.22 -0.15 0.00 -0.00 0.00 0.00 178.44 179.53 1xke h ALA 107 N 0.76 0.07 -0.02 1.53 0.00 -0.60 -2.47 119.26 118.53 1xke h ALA 107 Ca -0.05 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 1xke h ALA 107 Cb 1.42 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1xke h ALA 107 CO 0.15 -0.00 -0.04 1.49 0.00 0.00 0.00 179.25 180.84 1xke h GLU 108 N -0.39 0.07 -0.96 0.00 4.57 0.78 -2.53 114.58 116.12 1xke h GLU 108 Ca -0.01 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 58.12 1xke h GLU 108 Cb 0.79 0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 29.34 1xke h GLU 108 CO 0.03 0.61 0.59 0.93 -1.18 0.00 0.00 179.01 180.00 1xke h GLU 109 N -0.46 1.30 -0.19 1.92 4.39 -1.29 -1.98 114.58 118.27 1xke h GLU 109 Ca 0.00 -0.11 -0.12 0.00 0.34 0.00 0.00 59.36 59.47 1xke h GLU 109 Cb 0.61 -0.28 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 1xke h GLU 109 CO 0.01 0.90 -0.38 0.35 -1.16 0.00 0.00 179.01 178.72 1xke h PHE 110 N 1.32 0.49 0.17 4.33 3.04 -1.45 0.66 116.94 125.50 1xke h PHE 110 Ca 0.35 -0.13 0.01 0.00 3.98 0.00 0.00 57.97 62.17 1xke h PHE 110 Cb -0.08 -0.11 -0.02 0.00 2.56 0.00 0.00 35.95 38.31 1xke h PHE 110 CO 0.00 0.74 -0.19 -0.22 -2.02 0.00 0.00 178.31 176.63 1xke h LYS 111 N 0.35 -0.39 -0.18 1.11 3.64 -0.91 0.38 116.57 120.57 1xke h LYS 111 Ca 0.03 0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1xke h LYS 111 Cb 0.83 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.73 1xke h LYS 111 CO 0.07 -0.26 0.10 1.96 -2.27 0.00 0.00 179.45 179.05 1xke h GLN 112 N -0.40 0.24 -0.62 1.90 1.08 -1.28 -0.28 115.11 115.75 1xke h GLN 112 Ca 0.01 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1xke h GLN 112 Cb 0.39 -0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 27.74 1xke h GLN 112 CO -0.06 0.21 0.39 -0.22 -0.95 0.00 0.00 178.83 178.20 1xke h LYS 113 N 0.20 0.83 0.13 1.46 3.11 -0.63 0.80 116.57 122.47 1xke h LYS 113 Ca 0.06 -0.06 -0.01 0.00 -2.81 0.00 0.00 60.65 57.84 1xke h LYS 113 Cb 0.03 -0.18 0.00 0.00 -1.00 0.00 0.00 32.23 31.08 1xke h LYS 113 CO -0.01 0.57 -0.06 0.35 -2.81 0.00 0.00 179.45 177.48 1xke h PHE 114 N 0.85 -0.16 -0.76 1.91 3.57 0.38 0.14 116.94 122.86 1xke h PHE 114 Ca 0.23 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.81 1xke h PHE 114 Cb -0.06 0.05 -0.07 0.00 2.79 0.00 0.00 35.95 38.66 1xke h PHE 114 CO 0.00 0.27 0.41 0.93 -2.23 0.00 0.00 178.31 177.68 1xke h GLU 115 N -0.65 0.66 0.03 1.11 4.39 -0.80 -0.46 114.58 118.86 1xke h GLU 115 Ca -0.02 -0.04 0.02 0.00 0.34 0.00 0.00 59.36 59.66 1xke h GLU 115 Cb 0.50 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 1xke h GLU 115 CO 0.03 0.44 -0.12 1.49 -1.16 0.00 0.00 179.01 179.69 1xke h GLU 116 N 0.68 -0.21 -0.39 2.33 4.57 -0.65 -1.58 114.58 119.33 1xke h GLU 116 Ca 0.37 0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.58 1xke h GLU 116 Cb 0.36 0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.98 1xke h GLU 116 CO -0.26 -0.14 0.26 0.00 -1.18 0.00 0.00 179.01 177.69 1xke h GLN 118 N 0.47 -0.18 -0.04 0.00 4.20 -0.06 0.27 115.11 119.76 1xke h GLN 118 Ca 0.15 0.01 -0.07 0.00 0.06 0.00 0.00 58.65 58.81 1xke h GLN 118 Cb 0.04 0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.87 1xke h GLN 118 CO -0.04 -0.12 -0.23 0.00 -0.67 0.00 0.00 178.83 177.77 1xke h ARG 119 N -0.19 0.23 -0.00 1.46 -0.00 -1.27 -3.38 114.38 111.23 1xke h ARG 119 Ca 0.05 -0.19 -0.08 0.00 -0.50 0.00 0.00 59.98 59.25 1xke h ARG 119 Cb 0.25 0.04 0.01 0.00 0.00 0.00 0.00 29.97 30.26 1xke h ARG 119 CO -0.12 0.85 -0.32 -0.07 0.00 0.00 0.00 179.97 180.32 1xke h LEU 120 N -0.33 0.28 -2.26 3.04 4.07 -0.58 -3.37 115.31 116.15 1xke h LEU 120 Ca -0.02 -0.78 0.00 0.00 0.08 0.00 0.00 57.88 57.17 1xke h LEU 120 Cb 0.90 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.56 1xke h LEU 120 CO 0.05 1.02 0.00 0.25 -1.08 0.00 0.00 178.44 178.68 1xke h LEU 121 N -0.43 0.00 -0.94 1.67 6.46 -0.64 -1.59 115.31 119.85 1xke h LEU 121 Ca -0.04 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.71 1xke h LEU 121 Cb 1.07 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.95 1xke h LEU 121 CO 0.06 0.00 0.55 -0.07 -0.62 0.00 0.00 178.44 178.36 1xke h LEU 122 N 0.00 1.14 0.00 2.25 3.38 -1.73 -3.29 115.31 117.06 1xke h LEU 122 Ca 0.00 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1xke h LEU 122 Cb 0.02 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.48 1xke h LEU 122 CO 0.00 0.88 -0.80 -0.67 0.09 0.00 0.00 178.44 177.95 1xke n ASP 123 N -4.35 3.45 -4.71 -0.43 2.03 -0.61 -4.92 116.55 107.01 1xke n ASP 123 Ca 0.10 -0.14 -0.35 0.00 0.52 0.00 0.00 54.79 54.92 1xke n ASP 123 Cb 0.07 1.05 -0.09 0.00 -0.72 0.00 0.00 41.12 41.43 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 -1.84 5.05 0.14 5.18 -5.25 -1.15 -5.07 121.20 118.27 1xke s ILE 124 Ca -0.00 0.05 -0.31 0.00 -0.99 0.00 0.00 60.65 59.40 1xke s ILE 124 Cb 0.01 -3.26 -0.08 0.00 2.95 0.00 0.00 42.46 42.09 1xke s ILE 124 CO 0.06 0.50 1.30 -2.16 -1.79 0.00 0.00 174.94 172.84 1xke s PRO 125 N -0.00 4.39 0.00 0.37 0.04 -1.26 -4.69 135.00 133.85 1xke s PRO 125 Ca 0.07 1.97 -0.25 0.00 0.04 0.00 0.00 61.00 62.84 1xke s PRO 125 Cb -0.12 -3.25 -0.19 0.00 0.04 0.00 0.00 34.50 30.99 1xke s PRO 125 CO 0.00 -0.29 1.34 -0.07 0.04 0.00 0.00 177.00 178.02 1xke h LEU 126 N 6.12 -0.06 -8.08 -3.56 3.38 -1.97 -3.36 115.31 107.77 1xke h LEU 126 Ca -0.43 -0.34 -0.71 0.00 0.09 0.00 0.00 57.88 56.49 1xke h LEU 126 Cb 1.21 0.02 -0.29 0.00 0.09 0.00 0.00 40.66 41.69 1xke h LEU 126 CO 0.81 0.31 -0.52 -1.10 0.09 0.00 0.00 178.44 178.04 1xke s GLN 127 N -4.66 2.50 -0.13 1.13 -1.52 -1.26 -5.06 119.66 110.67 1xke s GLN 127 Ca -0.15 -1.46 -0.29 0.00 -1.95 0.00 0.00 55.36 51.50 1xke s GLN 127 Cb 0.02 -3.66 -0.01 0.00 -0.22 0.00 0.00 33.01 29.14 1xke s GLN 127 CO 0.64 -0.91 1.13 0.99 -0.25 0.00 0.00 175.29 176.89 1xke s THR 128 N 1.37 4.49 0.58 -0.19 2.01 -1.26 -4.98 115.64 117.65 1xke s THR 128 Ca 0.03 1.80 -0.20 0.00 0.31 0.00 0.00 61.69 63.63 1xke s THR 128 Cb -0.22 -4.16 -0.04 0.00 0.01 0.00 0.00 72.50 68.09 1xke s THR 128 CO 0.01 -0.07 1.23 -2.16 -0.69 0.00 0.00 174.62 172.94 1xke s PRO 129 N 2.66 3.04 0.00 4.92 0.04 -1.26 -5.17 135.00 139.23 1xke s PRO 129 Ca 0.51 1.90 0.00 0.00 0.04 0.00 0.00 61.00 63.45 1xke s PRO 129 Cb -0.20 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.32 1xke s PRO 129 CO 0.16 -1.18 0.00 1.17 0.04 0.00 0.00 177.00 177.19