#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 6.61 -0.19 1.61 0.01 -1.26 -4.80 113.70 115.68 1xke s SER 2 Ca 0.00 -2.86 0.15 0.00 1.31 0.00 0.00 55.95 54.55 1xke s SER 2 Cb 0.00 -2.15 0.42 0.00 0.21 0.00 0.00 66.02 64.49 1xke s SER 2 CO 0.00 -0.50 1.29 0.61 0.41 0.00 0.00 173.24 175.05 1xke n GLY 3 N 3.70 4.76 0.94 3.44 0.00 -1.26 -4.49 105.19 112.29 1xke n GLY 3 Ca 0.15 -1.17 0.10 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.10 2.18 -3.65 1.61 4.71 -1.26 -4.86 120.64 118.27 1xke n GLU 4 Ca 0.22 -2.02 -0.14 0.00 -0.01 0.00 0.00 57.16 55.21 1xke n GLU 4 Cb 0.79 -1.43 -0.08 0.00 -1.01 0.00 0.00 31.44 29.72 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 -1.40 0.77 0.00 3.49 1.03 -1.26 -4.93 118.70 116.39 1xke s GLU 5 Ca 0.31 0.87 0.00 0.00 0.03 0.00 0.00 54.97 56.17 1xke s GLU 5 Cb 0.19 0.37 0.00 0.00 -0.80 0.00 0.00 34.13 33.89 1xke s GLU 5 CO 0.26 -0.10 0.00 -3.47 -1.33 0.00 0.00 175.26 170.62 1xke n ASP 6 N 2.65 0.00 -4.84 0.83 -0.08 -1.26 -4.97 116.55 108.88 1xke n ASP 6 Ca -0.14 0.00 -0.36 0.00 -1.51 0.00 0.00 54.79 52.78 1xke n ASP 6 Cb 0.56 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.95 1xke n ASP 6 CO 0.00 0.00 0.00 -1.83 0.12 0.00 0.00 177.20 175.49 1xke s GLU 7 N 0.00 3.34 0.13 -0.67 1.03 -1.26 -0.43 118.70 120.83 1xke s GLU 7 Ca 0.00 -0.20 0.06 0.00 0.03 0.00 0.00 54.97 54.86 1xke s GLU 7 Cb 0.00 -3.10 -0.04 0.00 -0.80 0.00 0.00 34.13 30.19 1xke s GLU 7 CO 0.00 0.76 -0.00 -1.59 -1.33 0.00 0.00 175.26 173.09 1xke s LYS 8 N -1.05 2.47 -0.29 -4.83 -2.85 0.10 -4.72 119.74 108.58 1xke s LYS 8 Ca 0.15 -0.95 -0.17 0.00 -1.00 0.00 0.00 55.97 54.00 1xke s LYS 8 Cb -0.12 -2.46 -0.02 0.00 -2.06 0.00 0.00 37.83 33.17 1xke s LYS 8 CO 0.04 0.50 0.48 0.08 0.10 0.00 0.00 175.35 176.56 1xke s VAL 9 N -1.47 5.08 -0.18 1.79 1.01 -1.26 -0.42 120.40 124.94 1xke s VAL 9 Ca 0.26 0.66 -0.09 0.00 0.00 0.00 0.00 61.98 62.81 1xke s VAL 9 Cb -0.11 -3.84 -0.08 0.00 0.00 0.00 0.00 36.38 32.36 1xke s VAL 9 CO 0.18 0.02 -0.23 -0.11 0.00 0.00 0.00 175.10 174.95 1xke n LEU 10 N 5.55 1.29 -3.86 3.92 7.94 -1.15 -5.03 117.00 125.67 1xke n LEU 10 Ca -0.05 0.22 -0.12 0.00 -1.11 0.00 0.00 56.01 54.94 1xke n LEU 10 Cb 0.50 -0.54 -0.14 0.00 0.53 0.00 0.00 43.42 43.77 1xke n LEU 10 CO 0.41 0.38 -0.36 -0.72 -1.11 0.00 0.00 177.39 175.99 1xke s TYR 11 N -2.33 0.02 -0.09 1.96 1.13 -1.26 -5.05 117.35 111.73 1xke s TYR 11 Ca -0.25 0.01 0.01 0.00 -1.41 0.00 0.00 57.07 55.42 1xke s TYR 11 Cb 0.10 -0.04 0.02 0.00 -1.10 0.00 0.00 41.96 40.94 1xke s TYR 11 CO 0.32 -0.01 -0.09 -1.54 -2.51 0.00 0.00 175.55 171.72 1xke s SER 12 N 0.12 1.94 0.03 -0.18 1.04 -1.25 -1.58 113.70 113.82 1xke s SER 12 Ca -0.01 -0.29 -0.13 0.00 0.48 0.00 0.00 55.95 56.00 1xke s SER 12 Cb -0.02 -0.81 0.02 0.00 0.10 0.00 0.00 66.02 65.32 1xke s SER 12 CO -0.00 -0.06 0.29 -1.58 0.98 0.00 0.00 173.24 172.87 1xke s GLN 13 N 1.26 0.77 -0.14 4.02 0.74 0.86 -4.89 119.66 122.28 1xke s GLN 13 Ca -0.03 -0.47 -0.29 0.00 0.05 0.00 0.00 55.36 54.61 1xke s GLN 13 Cb -0.14 0.33 -0.01 0.00 1.10 0.00 0.00 33.01 34.29 1xke s GLN 13 CO -0.03 -0.24 1.12 1.03 -0.55 0.00 0.00 175.29 176.62 1xke s ARG 14 N -2.36 4.32 0.40 1.67 0.52 -1.25 0.90 118.95 123.14 1xke s ARG 14 Ca -0.06 1.51 0.03 0.00 -0.52 0.00 0.00 55.73 56.69 1xke s ARG 14 Cb -0.02 -3.62 -0.04 0.00 0.52 0.00 0.00 34.95 31.79 1xke s ARG 14 CO -0.02 -0.53 0.08 0.54 0.02 0.00 0.00 175.30 175.40 1xke s VAL 15 N 2.74 0.93 -0.10 3.52 0.11 0.16 -4.82 120.40 122.93 1xke s VAL 15 Ca 0.50 -2.00 0.02 0.00 -2.93 0.00 0.00 61.98 57.58 1xke s VAL 15 Cb -0.20 -2.49 0.01 0.00 -1.53 0.00 0.00 36.38 32.18 1xke s VAL 15 CO 0.15 0.00 -0.18 -0.54 -3.33 0.00 0.00 175.10 171.20 1xke s LYS 16 N -3.79 2.48 -0.12 1.54 1.02 -1.05 -1.83 119.74 117.99 1xke s LYS 16 Ca 0.25 -0.67 -0.02 0.00 0.02 0.00 0.00 55.97 55.56 1xke s LYS 16 Cb 0.05 -2.00 -0.03 0.00 -0.52 0.00 0.00 37.83 35.32 1xke s LYS 16 CO 0.13 0.02 -0.05 -1.17 -0.92 0.00 0.00 175.35 173.36 1xke s LEU 17 N 0.74 3.23 0.03 3.17 1.98 0.16 -2.20 118.68 125.80 1xke s LEU 17 Ca -0.11 -0.07 0.09 0.00 -2.89 0.00 0.00 54.13 51.14 1xke s LEU 17 Cb -0.16 -1.74 -0.03 0.00 0.66 0.00 0.00 46.19 44.92 1xke s LEU 17 CO 0.02 0.26 -0.26 -0.36 -1.89 0.00 0.00 176.35 174.12 1xke s PHE 18 N -0.17 2.34 0.10 5.38 0.40 0.90 0.95 117.98 127.88 1xke s PHE 18 Ca 0.03 -0.41 0.08 0.00 -0.60 0.00 0.00 56.93 56.03 1xke s PHE 18 Cb -0.13 -1.42 -0.04 0.00 0.51 0.00 0.00 43.02 41.95 1xke s PHE 18 CO 0.03 0.10 -0.16 -0.98 0.70 0.00 0.00 175.22 174.90 1xke s ARG 19 N -1.13 1.92 -0.36 0.44 1.70 0.14 -2.11 118.95 119.56 1xke s ARG 19 Ca 0.12 -1.10 -0.22 0.00 -0.47 0.00 0.00 55.73 54.05 1xke s ARG 19 Cb -0.10 -2.17 0.01 0.00 -0.57 0.00 0.00 34.95 32.11 1xke s ARG 19 CO 0.02 0.50 0.73 0.12 -1.08 0.00 0.00 175.30 175.59 1xke s PHE 20 N -1.11 3.13 -0.27 5.89 5.36 -1.24 0.11 117.98 129.85 1xke s PHE 20 Ca 0.18 0.51 -0.15 0.00 -0.96 0.00 0.00 56.93 56.50 1xke s PHE 20 Cb -0.11 -3.29 -0.04 0.00 -0.34 0.00 0.00 43.02 39.24 1xke s PHE 20 CO 0.10 -0.68 0.39 0.34 -1.46 0.00 0.00 175.22 173.91 1xke s ASP 21 N 1.80 6.28 0.34 6.13 -1.08 0.19 -4.87 116.67 125.46 1xke s ASP 21 Ca 0.29 0.33 0.08 0.00 -0.52 0.00 0.00 52.55 52.73 1xke s ASP 21 Cb -0.14 -2.22 0.60 0.00 -1.46 0.00 0.00 42.92 39.71 1xke s ASP 21 CO 0.16 -0.19 1.80 0.00 0.52 0.00 0.00 175.17 177.45 1xke h ALA 22 N 8.13 1.29 0.00 3.66 0.00 -1.91 0.79 119.26 131.21 1xke h ALA 22 Ca -0.31 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.17 1xke h ALA 22 Cb 1.16 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1xke h ALA 22 CO 0.65 0.49 -0.49 0.93 0.00 0.00 0.00 179.25 180.83 1xke h GLU 23 N 0.20 0.00 0.00 0.00 4.39 -1.94 -2.42 114.58 114.81 1xke h GLU 23 Ca 0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1xke h GLU 23 Cb 0.62 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.27 1xke h GLU 23 CO 0.05 0.49 -0.83 0.28 -1.16 0.00 0.00 179.01 177.83 1xke n VAL 24 N -3.32 0.03 -2.67 3.13 0.31 -0.97 -4.91 118.33 109.93 1xke n VAL 24 Ca 0.01 -0.05 -0.14 0.00 -0.01 0.00 0.00 64.34 64.15 1xke n VAL 24 Cb 0.68 0.57 -0.00 0.00 -0.91 0.00 0.00 33.84 34.17 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 -1.59 -3.71 -3.84 4.52 7.64 0.23 -4.93 113.62 111.94 1xke n SER 25 Ca 0.04 0.07 -0.09 0.00 1.01 0.00 0.00 58.87 59.90 1xke n SER 25 Cb 0.35 -3.14 -0.07 0.00 -1.01 0.00 0.00 64.21 60.35 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 -5.27 0.94 -0.58 1.43 0.74 0.14 -4.87 119.66 112.18 1xke s GLN 26 Ca 0.10 -0.96 -0.28 0.00 0.05 0.00 0.00 55.36 54.28 1xke s GLN 26 Cb -0.05 0.37 0.02 0.00 1.10 0.00 0.00 33.01 34.45 1xke s GLN 26 CO 0.12 -0.32 1.30 1.67 -0.55 0.00 0.00 175.29 177.51 1xke s TRP 27 N -3.87 2.44 -0.01 1.67 -2.14 -1.25 0.54 118.94 116.31 1xke s TRP 27 Ca 0.07 0.41 0.08 0.00 2.66 0.00 0.00 56.10 59.32 1xke s TRP 27 Cb 0.04 -4.47 -0.02 0.00 -3.10 0.00 0.00 33.47 25.92 1xke s TRP 27 CO -0.09 -1.80 -0.25 0.21 -2.66 0.00 0.00 176.95 172.36 1xke s LYS 28 N 5.25 2.08 0.35 3.25 2.20 0.12 -4.85 119.74 128.14 1xke s LYS 28 Ca 0.47 -0.95 -0.29 0.00 -0.36 0.00 0.00 55.97 54.85 1xke s LYS 28 Cb -0.09 -2.06 -0.11 0.00 -1.51 0.00 0.00 37.83 34.06 1xke s LYS 28 CO 0.25 0.56 1.50 -1.83 -0.36 0.00 0.00 175.35 175.46 1xke s GLU 29 N -0.75 4.13 -0.16 4.03 4.04 -1.26 0.28 118.70 128.99 1xke s GLU 29 Ca 0.11 2.55 -0.03 0.00 0.04 0.00 0.00 54.97 57.63 1xke s GLU 29 Cb -0.10 -2.99 -0.09 0.00 0.02 0.00 0.00 34.13 30.97 1xke s GLU 29 CO -0.00 -0.54 -0.18 -2.13 -1.84 0.00 0.00 175.26 170.57 1xke n ARG 30 N 0.88 0.38 -4.00 -4.83 0.63 0.27 -4.72 116.66 105.27 1xke n ARG 30 Ca 0.03 0.12 -0.10 0.00 -0.92 0.00 0.00 57.85 56.98 1xke n ARG 30 Cb 0.39 -1.22 -0.06 0.00 0.45 0.00 0.00 32.46 32.02 1xke n ARG 30 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1xke s GLY 31 N -5.43 0.59 0.13 5.14 0.00 -0.67 -4.97 107.32 102.11 1xke s GLY 31 Ca -0.23 -0.94 -0.05 0.00 0.00 0.00 0.00 44.72 43.51 1xke s GLY 31 CO 0.33 -0.76 0.15 1.08 0.00 0.00 0.00 173.10 173.91 1xke s LEU 32 N -3.01 1.49 0.00 0.66 2.01 -1.26 0.40 118.68 118.97 1xke s LEU 32 Ca 0.22 -0.99 0.00 0.00 0.01 0.00 0.00 54.13 53.37 1xke s LEU 32 Cb 0.01 0.72 0.00 0.00 0.01 0.00 0.00 46.19 46.93 1xke s LEU 32 CO 0.06 -0.78 0.00 0.61 1.01 0.00 0.00 176.35 177.25 1xke n GLY 33 N -0.12 0.40 3.63 -3.19 0.00 -0.76 -3.50 105.19 101.66 1xke n GLY 33 Ca -0.08 -2.21 -0.42 0.00 0.00 0.00 0.00 46.02 43.31 1xke n GLY 33 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1xke s ASN 34 N -4.00 6.74 -0.24 1.61 2.47 -0.70 0.37 114.94 121.19 1xke s ASN 34 Ca 0.00 0.83 -0.21 0.00 0.42 0.00 0.00 52.86 53.90 1xke s ASN 34 Cb 0.00 -2.42 -0.02 0.00 -1.45 0.00 0.00 41.25 37.36 1xke s ASN 34 CO 0.00 -0.57 0.67 -0.22 -3.72 0.00 0.00 177.10 173.27 1xke s LEU 35 N 2.91 4.08 -0.03 3.21 2.96 0.26 -2.24 118.68 129.82 1xke s LEU 35 Ca 0.33 0.80 0.02 0.00 -0.22 0.00 0.00 54.13 55.07 1xke s LEU 35 Cb -0.15 -2.93 -0.03 0.00 0.50 0.00 0.00 46.19 43.58 1xke s LEU 35 CO 0.10 -0.39 -0.07 -1.59 -1.32 0.00 0.00 176.35 173.09 1xke s LYS 36 N 2.48 2.64 -0.17 1.98 -2.85 0.12 -0.10 119.74 123.85 1xke s LYS 36 Ca 0.28 -0.65 -0.04 0.00 -1.00 0.00 0.00 55.97 54.57 1xke s LYS 36 Cb -0.15 -2.54 -0.02 0.00 -2.06 0.00 0.00 37.83 33.05 1xke s LYS 36 CO 0.09 0.63 -0.04 0.42 0.10 0.00 0.00 175.35 176.54 1xke s ILE 37 N -0.91 3.76 -0.13 3.79 -1.09 -0.62 -1.06 121.20 124.94 1xke s ILE 37 Ca 0.15 -0.40 -0.03 0.00 -2.23 0.00 0.00 60.65 58.15 1xke s ILE 37 Cb -0.11 -2.66 -0.03 0.00 -1.58 0.00 0.00 42.46 38.09 1xke s ILE 37 CO 0.05 0.48 -0.04 -0.76 -1.23 0.00 0.00 174.94 173.43 1xke s LEU 38 N 0.58 3.25 -0.18 2.97 1.43 -0.14 -2.92 118.68 123.68 1xke s LEU 38 Ca -0.03 -0.09 -0.00 0.00 -1.03 0.00 0.00 54.13 52.97 1xke s LEU 38 Cb -0.14 -1.76 0.00 0.00 0.03 0.00 0.00 46.19 44.31 1xke s LEU 38 CO 0.03 0.22 -0.15 -0.54 0.23 0.00 0.00 176.35 176.14 1xke s LYS 39 N 0.06 3.18 0.45 1.70 1.02 0.44 0.53 119.74 127.12 1xke s LYS 39 Ca -0.00 -0.75 -0.24 0.00 0.02 0.00 0.00 55.97 54.99 1xke s LYS 39 Cb -0.13 -2.68 -0.08 0.00 -0.52 0.00 0.00 37.83 34.42 1xke s LYS 39 CO 0.03 -0.10 1.30 -0.80 -0.92 0.00 0.00 175.35 174.86 1xke s ASN 40 N 1.09 6.03 0.17 2.83 -0.87 -0.02 0.00 114.94 124.17 1xke s ASN 40 Ca -0.00 2.63 0.23 0.00 -1.57 0.00 0.00 52.86 54.14 1xke s ASN 40 Cb -0.14 -2.63 0.90 0.00 -0.02 0.00 0.00 41.25 39.35 1xke s ASN 40 CO -0.05 -1.04 1.69 -0.62 -2.57 0.00 0.00 177.10 174.52 1xke n GLU 41 N -0.26 0.15 0.23 -0.60 -0.58 0.43 -0.54 120.64 119.47 1xke n GLU 41 Ca 0.06 0.31 0.12 0.00 -0.42 0.00 0.00 57.16 57.22 1xke n GLU 41 Cb 0.45 -1.75 0.43 0.00 -0.57 0.00 0.00 31.44 30.00 1xke n GLU 41 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1xke h VAL 42 N 0.00 0.33 -2.70 2.62 2.07 -1.90 -3.46 116.25 113.21 1xke h VAL 42 Ca 0.00 -1.04 -0.35 0.00 0.82 0.00 0.00 66.70 66.13 1xke h VAL 42 Cb 0.43 1.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 1xke h VAL 42 CO 0.00 0.15 -0.46 -3.20 0.02 0.00 0.00 177.57 174.08 1xke n ASN 43 N -3.24 -5.15 -0.02 0.57 5.15 0.30 -4.86 115.26 108.00 1xke n ASN 43 Ca 0.01 -0.05 -0.02 0.00 -0.60 0.00 0.00 54.58 53.92 1xke n ASN 43 Cb 0.44 -4.20 -0.03 0.00 -0.53 0.00 0.00 39.78 35.46 1xke n ASN 43 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1xke n GLY 44 N -1.08 -0.18 2.99 8.20 0.00 -1.26 -4.52 105.19 109.35 1xke n GLY 44 Ca -0.19 -0.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.64 1xke n GLY 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xke s LYS 45 N -2.09 0.40 0.06 1.61 1.02 -1.26 -4.96 119.74 114.51 1xke s LYS 45 Ca -0.02 -0.45 0.04 0.00 0.02 0.00 0.00 55.97 55.55 1xke s LYS 45 Cb 0.01 -0.25 -0.03 0.00 -0.52 0.00 0.00 37.83 37.05 1xke s LYS 45 CO 0.15 0.05 -0.12 -0.51 -0.92 0.00 0.00 175.35 174.01 1xke s LEU 46 N -0.88 2.27 0.20 3.17 2.01 -1.26 -0.85 118.68 123.35 1xke s LEU 46 Ca -0.05 -0.60 0.09 0.00 0.01 0.00 0.00 54.13 53.58 1xke s LEU 46 Cb -0.06 -0.39 -0.05 0.00 0.01 0.00 0.00 46.19 45.70 1xke s LEU 46 CO -0.00 -0.12 -0.18 -0.13 1.01 0.00 0.00 176.35 176.93 1xke s ARG 47 N -1.71 1.38 -0.18 1.70 0.52 0.19 -1.01 118.95 119.84 1xke s ARG 47 Ca -0.05 -1.54 0.01 0.00 -0.52 0.00 0.00 55.73 53.63 1xke s ARG 47 Cb -0.10 -1.37 0.02 0.00 0.52 0.00 0.00 34.95 34.03 1xke s ARG 47 CO 0.02 0.26 -0.17 -1.64 0.02 0.00 0.00 175.30 173.78 1xke s MET 48 N -3.21 2.72 0.03 3.54 -1.94 0.22 -0.96 119.30 119.69 1xke s MET 48 Ca 0.21 -0.81 0.04 0.00 -1.71 0.00 0.00 55.69 53.42 1xke s MET 48 Cb -0.04 -2.48 -0.02 0.00 2.01 0.00 0.00 34.83 34.30 1xke s MET 48 CO 0.08 -0.26 -0.12 -0.48 -0.01 0.00 0.00 175.02 174.24 1xke s LEU 49 N 1.33 2.14 -0.09 -0.03 2.34 -0.22 -0.35 118.68 123.79 1xke s LEU 49 Ca 0.04 -0.38 0.01 0.00 0.06 0.00 0.00 54.13 53.85 1xke s LEU 49 Cb -0.14 -0.51 0.02 0.00 -0.56 0.00 0.00 46.19 45.01 1xke s LEU 49 CO -0.12 0.03 -0.10 0.00 -1.06 0.00 0.00 176.35 175.10 1xke s MET 50 N -0.92 1.64 0.10 1.48 0.23 -0.93 0.14 119.30 121.05 1xke s MET 50 Ca 0.01 -0.34 0.09 0.00 -1.03 0.00 0.00 55.69 54.42 1xke s MET 50 Cb -0.07 -1.53 -0.04 0.00 -1.53 0.00 0.00 34.83 31.66 1xke s MET 50 CO 0.01 -0.14 -0.22 0.50 -2.03 0.00 0.00 175.02 173.14 1xke s ARG 51 N 1.24 1.71 -0.18 3.16 3.52 -0.95 0.30 118.95 127.74 1xke s ARG 51 Ca -0.04 -1.20 -0.24 0.00 -0.13 0.00 0.00 55.73 54.13 1xke s ARG 51 Cb -0.14 -2.04 -0.02 0.00 -1.56 0.00 0.00 34.95 31.19 1xke s ARG 51 CO -0.03 0.48 0.76 1.03 -0.81 0.00 0.00 175.30 176.73 1xke s ARG 52 N -1.92 4.26 0.00 5.12 0.52 -0.81 -1.71 118.95 124.41 1xke s ARG 52 Ca 0.16 0.87 0.00 0.00 -0.52 0.00 0.00 55.73 56.23 1xke s ARG 52 Cb -0.10 -3.58 0.00 0.00 0.52 0.00 0.00 34.95 31.79 1xke s ARG 52 CO 0.07 -0.30 0.75 0.39 0.02 0.00 0.00 175.30 176.24 1xke n GLU 53 N 5.17 0.00 0.07 3.54 1.02 -1.26 0.08 120.64 129.26 1xke n GLU 53 Ca 0.02 0.53 0.13 0.00 -0.02 0.00 0.00 57.16 57.83 1xke n GLU 53 Cb 0.49 -1.25 0.43 0.00 -0.02 0.00 0.00 31.44 31.09 1xke n GLU 53 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 1xke n GLN 54 N -1.68 0.18 0.00 3.49 0.00 -1.26 -2.09 117.38 116.02 1xke n GLN 54 Ca 0.00 0.13 0.15 0.00 -0.00 0.00 0.00 57.00 57.28 1xke n GLN 54 Cb 0.00 -1.70 0.73 0.00 0.00 0.00 0.00 30.24 29.28 1xke n GLN 54 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1xke n VAL 55 N -2.01 0.00 -0.62 1.69 0.31 -1.06 -4.88 118.33 111.77 1xke n VAL 55 Ca 0.06 -0.02 -0.01 0.00 -0.01 0.00 0.00 64.34 64.36 1xke n VAL 55 Cb 0.40 -0.37 -0.01 0.00 -0.91 0.00 0.00 33.84 32.96 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 -1.15 0.39 -3.94 7.52 7.94 0.11 -4.87 117.00 123.00 1xke n LEU 56 Ca 0.15 0.03 -0.31 0.00 -1.11 0.00 0.00 56.01 54.78 1xke n LEU 56 Cb 0.24 -1.59 -0.15 0.00 0.53 0.00 0.00 43.42 42.45 1xke n LEU 56 CO 0.23 -0.54 -0.36 -0.75 -1.11 0.00 0.00 177.39 174.86 1xke s LYS 57 N -1.27 1.38 -0.01 1.96 2.47 -1.11 -4.86 119.74 118.30 1xke s LYS 57 Ca 0.00 -1.45 -0.28 0.00 -1.56 0.00 0.00 55.97 52.69 1xke s LYS 57 Cb 0.00 -2.75 -0.14 0.00 -1.46 0.00 0.00 37.83 33.48 1xke s LYS 57 CO 0.00 -0.85 0.75 1.55 0.16 0.00 0.00 175.35 176.96 1xke n VAL 58 N 4.50 0.00 -0.07 4.02 3.14 -1.26 -1.92 118.33 126.75 1xke n VAL 58 Ca -0.02 0.00 -0.08 0.00 -2.96 0.00 0.00 64.34 61.28 1xke n VAL 58 Cb 0.42 -0.01 -0.11 0.00 -1.06 0.00 0.00 33.84 33.09 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 -2.34 -0.49 -0.41 0.00 0.00 -1.21 -4.79 121.76 112.52 1xke s ALA 60 Ca -0.09 0.76 0.03 0.00 0.00 0.00 0.00 51.96 52.66 1xke s ALA 60 Cb 0.04 -0.48 0.12 0.00 0.00 0.00 0.00 23.12 22.80 1xke s ALA 60 CO 0.55 -0.15 0.16 1.21 0.00 0.00 0.00 175.76 177.54 1xke s ASN 61 N 0.75 4.28 -0.11 0.00 2.47 -1.26 -2.18 114.94 118.89 1xke s ASN 61 Ca -0.05 -2.45 -0.02 0.00 0.42 0.00 0.00 52.86 50.76 1xke s ASN 61 Cb -0.07 -1.39 -0.03 0.00 -1.45 0.00 0.00 41.25 38.31 1xke s ASN 61 CO -0.04 -0.31 -0.05 -1.00 -3.72 0.00 0.00 177.10 171.97 1xke s HIS 62 N 0.51 2.99 0.23 0.43 3.76 0.53 -1.36 115.29 122.39 1xke s HIS 62 Ca 0.14 -0.15 -0.20 0.00 -0.15 0.00 0.00 55.06 54.70 1xke s HIS 62 Cb -0.22 -1.84 -0.08 0.00 1.11 0.00 0.00 32.58 31.54 1xke s HIS 62 CO -0.06 0.14 0.73 -1.58 -0.85 0.00 0.00 174.74 173.12 1xke s TRP 63 N -0.19 3.63 -0.26 1.40 0.51 -1.25 0.73 118.94 123.51 1xke s TRP 63 Ca 0.03 1.39 -0.10 0.00 -2.12 0.00 0.00 56.10 55.30 1xke s TRP 63 Cb -0.13 -2.62 -0.04 0.00 -0.81 0.00 0.00 33.47 29.86 1xke s TRP 63 CO 0.03 0.32 0.14 -1.50 -0.51 0.00 0.00 176.95 175.42 1xke s ILE 64 N -1.56 5.02 0.10 2.03 -1.16 -0.18 -4.79 121.20 120.67 1xke s ILE 64 Ca 0.44 0.07 -0.05 0.00 -0.51 0.00 0.00 60.65 60.59 1xke s ILE 64 Cb -0.16 -3.36 -0.02 0.00 0.61 0.00 0.00 42.46 39.52 1xke s ILE 64 CO 0.21 0.31 0.13 0.28 -2.81 0.00 0.00 174.94 173.06 1xke s THR 65 N 1.49 0.14 -1.59 4.00 -1.32 -1.26 -4.30 115.64 112.81 1xke s THR 65 Ca 0.07 -1.50 0.25 0.00 -1.21 0.00 0.00 61.69 59.29 1xke s THR 65 Cb -0.15 -1.61 0.51 0.00 -1.51 0.00 0.00 72.50 69.74 1xke s THR 65 CO 0.07 -0.63 1.83 0.41 -2.21 0.00 0.00 174.62 174.09 1xke n THR 66 N -0.06 0.16 1.79 5.08 -1.04 -1.26 -2.38 114.28 116.58 1xke n THR 66 Ca -0.12 0.04 0.08 0.00 -2.04 0.00 0.00 64.05 62.02 1xke n THR 66 Cb 0.62 -0.64 0.44 0.00 -1.82 0.00 0.00 70.33 68.94 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 -1.21 0.06 -4.31 12.58 -1.04 -1.26 -4.74 114.28 114.37 1xke n THR 67 Ca 0.14 -0.09 -0.16 0.00 -2.04 0.00 0.00 64.05 61.89 1xke n THR 67 Cb 0.16 -0.10 -0.10 0.00 -1.82 0.00 0.00 70.33 68.48 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 -1.94 1.27 -0.02 -2.82 0.00 -1.00 -5.04 119.30 109.75 1xke s MET 68 Ca 0.26 -1.62 -0.00 0.00 0.00 0.00 0.00 55.69 54.33 1xke s MET 68 Cb 0.12 -0.61 0.02 0.00 0.00 0.00 0.00 34.83 34.36 1xke s MET 68 CO 0.20 -0.06 0.03 1.21 0.00 0.00 0.00 175.02 176.41 1xke s ASN 69 N -3.27 0.02 -0.05 1.11 2.47 -1.26 -4.93 114.94 109.03 1xke s ASN 69 Ca 0.26 0.05 -0.17 0.00 0.42 0.00 0.00 52.86 53.41 1xke s ASN 69 Cb 0.05 -0.01 -0.05 0.00 -1.45 0.00 0.00 41.25 39.79 1xke s ASN 69 CO 0.07 -0.08 0.47 -1.48 -3.72 0.00 0.00 177.10 172.36 1xke s LEU 70 N 0.62 4.38 -0.05 3.21 0.05 -1.26 -3.34 118.68 122.29 1xke s LEU 70 Ca -0.05 0.95 0.03 0.00 0.05 0.00 0.00 54.13 55.11 1xke s LEU 70 Cb -0.07 -2.70 0.00 0.00 -2.05 0.00 0.00 46.19 41.37 1xke s LEU 70 CO -0.02 0.15 -0.14 -0.75 -0.55 0.00 0.00 176.35 175.04 1xke s LYS 71 N -0.21 1.66 0.51 1.48 2.47 0.23 -4.93 119.74 120.94 1xke s LYS 71 Ca 0.26 -0.50 -0.17 0.00 -1.56 0.00 0.00 55.97 54.00 1xke s LYS 71 Cb -0.16 -1.41 -0.08 0.00 -1.46 0.00 0.00 37.83 34.71 1xke s LYS 71 CO 0.13 0.14 0.99 -1.25 0.16 0.00 0.00 175.35 175.52 1xke s PRO 72 N 0.29 3.94 0.75 4.03 0.04 -1.26 0.67 135.00 143.46 1xke s PRO 72 Ca -0.08 1.01 -0.11 0.00 0.04 0.00 0.00 61.00 61.87 1xke s PRO 72 Cb -0.13 -2.13 0.04 0.00 0.04 0.00 0.00 34.50 32.32 1xke s PRO 72 CO 0.03 -0.28 1.08 -0.51 0.04 0.00 0.00 177.00 177.35 1xke s LEU 73 N -3.95 2.94 0.06 -3.56 1.43 -1.16 -4.82 118.68 109.62 1xke s LEU 73 Ca 0.60 1.60 -0.30 0.00 -1.03 0.00 0.00 54.13 55.00 1xke s LEU 73 Cb -0.10 -4.35 -0.09 0.00 0.03 0.00 0.00 46.19 41.67 1xke s LEU 73 CO 0.29 -1.78 1.95 -0.44 0.23 0.00 0.00 176.35 176.60 1xke s SER 74 N -3.69 6.43 0.00 2.29 0.01 -1.26 -1.63 113.70 115.85 1xke s SER 74 Ca 0.60 2.71 0.00 0.00 1.31 0.00 0.00 55.95 60.56 1xke s SER 74 Cb -0.15 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.54 1xke s SER 74 CO 0.55 -1.05 0.00 0.61 0.41 0.00 0.00 173.24 173.76 1xke n GLY 75 N 4.50 0.74 3.61 3.44 0.00 -1.26 -5.01 105.19 111.21 1xke n GLY 75 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 1xke n GLY 75 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xke s SER 76 N -2.48 4.72 -0.10 1.61 0.15 -0.65 -4.94 113.70 112.01 1xke s SER 76 Ca 0.00 -0.08 0.16 0.00 0.70 0.00 0.00 55.95 56.74 1xke s SER 76 Cb 0.00 -1.16 -0.24 0.00 -1.71 0.00 0.00 66.02 62.91 1xke s SER 76 CO 0.00 0.31 0.22 0.47 1.20 0.00 0.00 173.24 175.44 1xke n ASP 77 N 1.75 0.87 -0.04 5.45 9.92 -1.26 -4.40 116.55 128.85 1xke n ASP 77 Ca -0.16 0.00 -0.05 0.00 -0.53 0.00 0.00 54.79 54.05 1xke n ASP 77 Cb 0.53 1.34 -0.05 0.00 -0.64 0.00 0.00 41.12 42.29 1xke n ASP 77 CO 0.00 0.00 0.00 -2.11 0.13 0.00 0.00 177.20 175.22 1xke n ARG 78 N -2.39 1.82 -4.32 -1.24 1.85 -1.26 -4.78 116.66 106.34 1xke n ARG 78 Ca -0.16 0.02 -0.34 0.00 -1.00 0.00 0.00 57.85 56.36 1xke n ARG 78 Cb 0.78 -1.18 -0.11 0.00 -1.05 0.00 0.00 32.46 30.90 1xke n ARG 78 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1xke s ALA 79 N -2.18 3.20 0.16 2.89 0.00 -1.26 -3.80 121.76 120.77 1xke s ALA 79 Ca -0.07 -0.80 0.02 0.00 0.00 0.00 0.00 51.96 51.12 1xke s ALA 79 Cb 0.03 -1.59 -0.05 0.00 0.00 0.00 0.00 23.12 21.51 1xke s ALA 79 CO 0.26 0.37 -0.03 -1.58 0.00 0.00 0.00 175.76 174.78 1xke s TRP 80 N -0.18 1.20 0.03 0.00 0.52 -1.22 -3.00 118.94 116.30 1xke s TRP 80 Ca 0.05 -0.94 0.07 0.00 0.02 0.00 0.00 56.10 55.29 1xke s TRP 80 Cb -0.13 -0.67 -0.02 0.00 -1.15 0.00 0.00 33.47 31.50 1xke s TRP 80 CO 0.02 -0.13 -0.19 0.00 0.02 0.00 0.00 176.95 176.67 1xke s MET 81 N -3.86 1.36 0.05 4.98 0.23 0.21 -2.26 119.30 120.01 1xke s MET 81 Ca 0.21 -0.86 0.03 0.00 -1.03 0.00 0.00 55.69 54.03 1xke s MET 81 Cb 0.05 -1.43 -0.03 0.00 -1.53 0.00 0.00 34.83 31.90 1xke s MET 81 CO 0.02 0.37 -0.09 1.67 -2.03 0.00 0.00 175.02 174.96 1xke s TRP 82 N -0.73 0.79 -0.24 3.16 -2.14 0.10 0.75 118.94 120.63 1xke s TRP 82 Ca 0.07 -0.53 -0.10 0.00 2.66 0.00 0.00 56.10 58.20 1xke s TRP 82 Cb -0.08 -0.46 -0.05 0.00 -3.10 0.00 0.00 33.47 29.78 1xke s TRP 82 CO 0.01 -0.06 0.14 -0.48 -2.66 0.00 0.00 176.95 173.89 1xke s LEU 83 N -1.76 3.97 0.10 -4.66 2.34 -1.21 -1.06 118.68 116.40 1xke s LEU 83 Ca -0.06 0.05 -0.08 0.00 0.06 0.00 0.00 54.13 54.10 1xke s LEU 83 Cb -0.08 -2.06 -0.01 0.00 -0.56 0.00 0.00 46.19 43.48 1xke s LEU 83 CO 0.00 0.06 0.19 0.00 -1.06 0.00 0.00 176.35 175.54 1xke s ALA 84 N 1.10 -0.09 -0.24 1.48 0.00 0.00 -4.66 121.76 119.36 1xke s ALA 84 Ca 0.07 -0.74 -0.21 0.00 0.00 0.00 0.00 51.96 51.07 1xke s ALA 84 Cb -0.14 0.56 -0.02 0.00 0.00 0.00 0.00 23.12 23.52 1xke s ALA 84 CO 0.05 -0.53 0.64 -1.54 0.00 0.00 0.00 175.76 174.38 1xke s SER 85 N -2.89 6.63 0.34 0.00 1.04 -1.26 -1.39 113.70 116.17 1xke s SER 85 Ca 0.08 0.77 -0.11 0.00 0.48 0.00 0.00 55.95 57.17 1xke s SER 85 Cb 0.05 -2.35 -0.07 0.00 0.10 0.00 0.00 66.02 63.75 1xke s SER 85 CO -0.08 -0.35 0.70 -0.62 0.98 0.00 0.00 173.24 173.87 1xke s ASP 86 N 1.38 6.59 -0.41 7.02 2.15 0.33 -3.77 116.67 129.96 1xke s ASP 86 Ca 0.27 1.08 0.05 0.00 0.43 0.00 0.00 52.55 54.39 1xke s ASP 86 Cb -0.16 -2.30 0.32 0.00 -0.30 0.00 0.00 42.92 40.49 1xke s ASP 86 CO 0.09 -0.28 1.22 0.33 -0.17 0.00 0.00 175.17 176.36 1xke n PHE 87 N -0.86 -1.92 -0.25 -5.34 7.35 -0.46 -0.08 117.46 115.90 1xke n PHE 87 Ca 0.02 -1.56 0.15 0.00 -0.76 0.00 0.00 57.45 55.30 1xke n PHE 87 Cb 0.54 1.45 0.43 0.00 0.35 0.00 0.00 39.48 42.25 1xke n PHE 87 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 1xke h SER 88 N 2.73 0.55 0.00 -2.13 0.87 -1.75 -2.92 113.55 110.90 1xke h SER 88 Ca -0.19 0.04 -0.11 0.00 -1.23 0.00 0.00 61.79 60.31 1xke h SER 88 Cb 1.14 -0.06 -0.13 0.00 -0.44 0.00 0.00 62.40 62.91 1xke h SER 88 CO 0.08 0.26 -0.31 -0.67 -0.53 0.00 0.00 176.83 175.66 1xke n ASP 89 N -4.55 -0.60 0.00 6.23 2.03 -1.26 -4.72 116.55 113.68 1xke n ASP 89 Ca 0.18 -1.81 0.00 0.00 0.52 0.00 0.00 54.79 53.68 1xke n ASP 89 Cb 0.55 0.18 0.00 0.00 -0.72 0.00 0.00 41.12 41.13 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 0.05 1.79 3.52 0.27 0.00 -1.10 -5.06 105.19 104.66 1xke n GLY 90 Ca -0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 1xke n GLY 90 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xke s ASP 91 N -1.84 6.35 -0.43 1.61 2.15 -1.26 -4.96 116.67 118.29 1xke s ASP 91 Ca 0.00 -0.29 -0.24 0.00 0.43 0.00 0.00 52.55 52.45 1xke s ASP 91 Cb 0.00 -2.34 0.02 0.00 -0.30 0.00 0.00 42.92 40.30 1xke s ASP 91 CO 0.00 -0.83 0.85 0.00 -0.17 0.00 0.00 175.17 175.02 1xke s ALA 92 N 2.98 3.31 -0.06 3.66 0.00 -1.25 -3.04 121.76 127.36 1xke s ALA 92 Ca 0.25 -0.79 0.02 0.00 0.00 0.00 0.00 51.96 51.44 1xke s ALA 92 Cb -0.14 -3.52 0.01 0.00 0.00 0.00 0.00 23.12 19.48 1xke s ALA 92 CO 0.20 -1.85 -0.12 0.15 0.00 0.00 0.00 175.76 174.14 1xke s LYS 93 N 3.45 1.70 -0.21 0.00 3.01 0.88 -4.94 119.74 123.63 1xke s LYS 93 Ca 0.34 -0.42 -0.06 0.00 -1.01 0.00 0.00 55.97 54.82 1xke s LYS 93 Cb -0.12 -1.40 -0.03 0.00 -1.01 0.00 0.00 37.83 35.28 1xke s LYS 93 CO 0.22 0.03 0.02 -0.48 0.51 0.00 0.00 175.35 175.66 1xke s LEU 94 N 0.64 3.34 0.10 3.17 2.34 -1.26 0.12 118.68 127.13 1xke s LEU 94 Ca -0.14 -0.19 -0.04 0.00 0.06 0.00 0.00 54.13 53.82 1xke s LEU 94 Cb -0.16 -1.86 -0.03 0.00 -0.56 0.00 0.00 46.19 43.59 1xke s LEU 94 CO 0.04 0.04 0.09 -1.61 -1.06 0.00 0.00 176.35 173.85 1xke s GLU 95 N 1.13 0.83 -0.33 1.48 2.02 -0.49 -4.98 118.70 118.36 1xke s GLU 95 Ca 0.03 -1.21 -0.07 0.00 0.02 0.00 0.00 54.97 53.74 1xke s GLU 95 Cb -0.14 0.27 0.03 0.00 0.10 0.00 0.00 34.13 34.39 1xke s GLU 95 CO 0.02 -0.23 0.10 -0.65 0.02 0.00 0.00 175.26 174.52 1xke s GLN 96 N -3.95 2.76 0.06 1.61 -0.21 -1.26 -0.82 119.66 117.86 1xke s GLN 96 Ca 0.13 -1.08 -0.01 0.00 0.02 0.00 0.00 55.36 54.41 1xke s GLN 96 Cb 0.06 -3.44 -0.04 0.00 1.00 0.00 0.00 33.01 30.59 1xke s GLN 96 CO -0.06 -0.60 -0.02 -0.48 -2.12 0.00 0.00 175.29 172.01 1xke s LEU 97 N 1.44 2.37 0.29 2.90 0.05 -0.23 -3.64 118.68 121.86 1xke s LEU 97 Ca -0.00 -1.04 0.10 0.00 0.05 0.00 0.00 54.13 53.24 1xke s LEU 97 Cb -0.19 0.21 -0.05 0.00 -2.05 0.00 0.00 46.19 44.12 1xke s LEU 97 CO 0.03 -0.62 -0.06 0.00 -0.55 0.00 0.00 176.35 175.15 1xke s ALA 98 N -3.94 3.05 -0.00 1.48 0.00 -0.89 -0.72 121.76 120.73 1xke s ALA 98 Ca 0.10 -1.79 -0.03 0.00 0.00 0.00 0.00 51.96 50.24 1xke s ALA 98 Cb 0.08 -0.53 -0.00 0.00 0.00 0.00 0.00 23.12 22.66 1xke s ALA 98 CO -0.08 0.23 0.06 0.00 0.00 0.00 0.00 175.76 175.97 1xke s ALA 99 N -2.42 -0.12 -0.01 0.00 0.00 -0.96 -0.07 121.76 118.17 1xke s ALA 99 Ca 0.32 -0.18 0.02 0.00 0.00 0.00 0.00 51.96 52.11 1xke s ALA 99 Cb -0.05 0.05 0.00 0.00 0.00 0.00 0.00 23.12 23.12 1xke s ALA 99 CO 0.18 -0.13 -0.06 -1.59 0.00 0.00 0.00 175.76 174.16 1xke s LYS 100 N -0.95 0.58 0.13 0.00 -2.85 -0.93 -3.39 119.74 112.33 1xke s LYS 100 Ca -0.10 -0.19 0.04 0.00 -1.00 0.00 0.00 55.97 54.71 1xke s LYS 100 Cb -0.06 -0.58 -0.04 0.00 -2.06 0.00 0.00 37.83 35.09 1xke s LYS 100 CO 0.00 0.08 0.15 -0.06 0.10 0.00 0.00 175.35 175.62 1xke s PHE 101 N 0.12 3.24 0.24 1.78 0.40 -1.26 -2.52 117.98 119.98 1xke s PHE 101 Ca -0.01 0.05 -0.10 0.00 -0.60 0.00 0.00 56.93 56.26 1xke s PHE 101 Cb -0.06 -1.58 0.35 0.00 0.51 0.00 0.00 43.02 42.25 1xke s PHE 101 CO -0.00 0.52 1.60 0.87 0.70 0.00 0.00 175.22 178.91 1xke h LYS 102 N 2.63 0.01 -5.32 0.44 6.56 -1.94 -3.41 116.57 115.53 1xke h LYS 102 Ca -0.47 -0.00 -0.41 0.00 -1.06 0.00 0.00 60.65 58.70 1xke h LYS 102 Cb 1.19 -0.00 -0.14 0.00 -0.57 0.00 0.00 32.23 32.70 1xke h LYS 102 CO 0.66 0.01 -0.70 0.95 -2.06 0.00 0.00 179.45 178.30 1xke s THR 103 N -6.22 1.42 -1.55 -0.16 -4.23 -1.26 -5.01 115.64 98.63 1xke s THR 103 Ca -0.14 -2.12 0.13 0.00 -1.18 0.00 0.00 61.69 58.37 1xke s THR 103 Cb 0.23 -2.15 0.25 0.00 1.34 0.00 0.00 72.50 72.17 1xke s THR 103 CO 0.75 -0.51 1.28 -2.65 -0.54 0.00 0.00 174.62 172.96 1xke n PRO 104 N -0.39 0.23 0.00 3.99 -0.02 -1.26 -0.37 135.00 137.19 1xke n PRO 104 Ca -0.07 0.13 -0.12 0.00 -2.02 0.00 0.00 63.50 61.42 1xke n PRO 104 Cb 0.62 -1.50 -0.10 0.00 -0.02 0.00 0.00 33.50 32.50 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 -0.08 -0.11 -0.52 4.81 -1.95 0.38 114.58 117.11 1xke h GLU 105 Ca 0.00 0.01 -0.23 0.00 -0.13 0.00 0.00 59.36 59.00 1xke h GLU 105 Cb 0.09 0.02 0.01 0.00 0.63 0.00 0.00 28.75 29.50 1xke h GLU 105 CO 0.00 0.47 -0.85 -0.07 -0.73 0.00 0.00 179.01 177.83 1xke h LEU 106 N -0.71 0.92 -0.01 1.64 -0.00 -1.66 -1.09 115.31 114.39 1xke h LEU 106 Ca -0.01 -0.64 -0.04 0.00 -0.00 0.00 0.00 57.88 57.20 1xke h LEU 106 Cb 0.59 -0.28 0.00 0.00 -0.00 0.00 0.00 40.66 40.98 1xke h LEU 106 CO 0.01 1.44 -0.14 0.00 -0.00 0.00 0.00 178.44 179.76 1xke h ALA 107 N 0.53 0.03 -0.09 1.53 0.00 -0.83 -2.58 119.26 117.87 1xke h ALA 107 Ca -0.07 -0.41 -0.07 0.00 0.00 0.00 0.00 54.91 54.36 1xke h ALA 107 Cb 1.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.28 1xke h ALA 107 CO 0.17 -0.01 -0.23 1.49 0.00 0.00 0.00 179.25 180.67 1xke h GLU 108 N -0.54 0.31 -0.27 0.00 4.81 -0.24 -2.57 114.58 116.07 1xke h GLU 108 Ca -0.01 -0.22 -0.05 0.00 -0.13 0.00 0.00 59.36 58.95 1xke h GLU 108 Cb 0.85 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.25 1xke h GLU 108 CO 0.03 0.83 -0.06 0.93 -0.73 0.00 0.00 179.01 180.00 1xke h GLU 109 N -0.16 0.42 -0.21 1.92 4.39 -1.29 0.41 114.58 120.07 1xke h GLU 109 Ca -0.00 -0.10 -0.02 0.00 0.34 0.00 0.00 59.36 59.58 1xke h GLU 109 Cb 0.84 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.42 1xke h GLU 109 CO 0.05 0.50 0.07 0.35 -1.16 0.00 0.00 179.01 178.82 1xke h PHE 110 N 0.40 0.33 0.02 4.33 3.57 -1.45 -1.89 116.94 122.26 1xke h PHE 110 Ca 0.08 -0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.57 1xke h PHE 110 Cb 0.37 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.98 1xke h PHE 110 CO 0.01 0.41 -0.15 -0.22 -2.23 0.00 0.00 178.31 176.13 1xke h LYS 111 N 0.16 -0.25 -0.14 1.11 3.11 -0.91 0.32 116.57 119.99 1xke h LYS 111 Ca 0.07 0.02 0.04 0.00 -2.81 0.00 0.00 60.65 57.96 1xke h LYS 111 Cb 0.23 0.06 -0.04 0.00 -1.00 0.00 0.00 32.23 31.47 1xke h LYS 111 CO -0.00 -0.16 -0.12 1.96 -2.81 0.00 0.00 179.45 178.32 1xke h GLN 112 N -0.26 -0.13 0.00 1.90 1.08 -0.94 -1.69 115.11 115.07 1xke h GLN 112 Ca 0.04 0.01 -0.09 0.00 -1.45 0.00 0.00 58.65 57.16 1xke h GLN 112 Cb 0.31 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.75 1xke h GLN 112 CO -0.13 -0.09 -0.44 0.87 -0.95 0.00 0.00 178.83 178.10 1xke h LYS 113 N -0.13 0.00 0.28 1.46 6.56 -1.00 -2.54 116.57 121.20 1xke h LYS 113 Ca 0.09 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.67 1xke h LYS 113 Cb 0.27 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.93 1xke h LYS 113 CO -0.22 0.44 -0.13 0.35 -2.06 0.00 0.00 179.45 177.82 1xke h PHE 114 N 0.00 -0.35 -0.63 -1.35 3.04 0.39 -0.12 116.94 117.92 1xke h PHE 114 Ca -0.00 -0.01 -0.02 0.00 3.98 0.00 0.00 57.97 61.92 1xke h PHE 114 Cb 0.78 0.11 -0.03 0.00 2.56 0.00 0.00 35.95 39.37 1xke h PHE 114 CO 0.00 -0.12 0.32 0.93 -2.02 0.00 0.00 178.31 177.42 1xke h GLU 115 N -0.52 0.89 -0.51 1.11 5.08 -1.27 -1.50 114.58 117.86 1xke h GLU 115 Ca -0.04 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 1xke h GLU 115 Cb 0.39 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1xke h GLU 115 CO 0.06 0.70 0.28 1.49 -1.00 0.00 0.00 179.01 180.55 1xke h GLU 116 N 0.86 0.71 -0.55 2.33 4.57 -1.25 -0.68 114.58 120.56 1xke h GLU 116 Ca 0.22 -0.08 -0.00 0.00 -1.18 0.00 0.00 59.36 58.31 1xke h GLU 116 Cb 0.09 -0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 28.51 1xke h GLU 116 CO -0.03 0.54 0.33 0.00 -1.18 0.00 0.00 179.01 178.67 1xke h GLN 118 N 0.75 -0.09 -0.04 0.00 4.20 -0.09 0.65 115.11 120.50 1xke h GLN 118 Ca 0.20 0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.87 1xke h GLN 118 Cb -0.03 0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1xke h GLN 118 CO -0.04 -0.06 -0.15 0.00 -0.67 0.00 0.00 178.83 177.92 1xke h ARG 119 N -0.09 0.17 -0.00 1.46 -0.00 -0.78 -3.37 114.38 111.76 1xke h ARG 119 Ca 0.05 -0.13 -0.06 0.00 -0.50 0.00 0.00 59.98 59.34 1xke h ARG 119 Cb 0.16 0.02 0.00 0.00 0.00 0.00 0.00 29.97 30.16 1xke h ARG 119 CO -0.12 0.77 -0.24 -0.07 0.00 0.00 0.00 179.97 180.31 1xke h LEU 120 N -0.40 0.22 -2.74 3.04 4.07 -0.53 -3.36 115.31 115.61 1xke h LEU 120 Ca -0.01 -0.77 -0.00 0.00 0.08 0.00 0.00 57.88 57.18 1xke h LEU 120 Cb 0.79 -0.07 -0.00 0.00 1.08 0.00 0.00 40.66 42.47 1xke h LEU 120 CO 0.03 0.96 -0.00 0.25 -1.08 0.00 0.00 178.44 178.60 1xke h LEU 121 N -0.50 0.00 -0.68 1.67 6.46 -1.03 0.19 115.31 121.42 1xke h LEU 121 Ca -0.03 0.00 -0.04 0.00 -0.12 0.00 0.00 57.88 57.69 1xke h LEU 121 Cb 0.99 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.89 1xke h LEU 121 CO 0.05 0.00 0.25 -0.07 -0.62 0.00 0.00 178.44 178.05 1xke h LEU 122 N 0.00 0.95 0.00 2.25 3.38 -1.74 -3.33 115.31 116.82 1xke h LEU 122 Ca -0.00 -0.18 -0.31 0.00 0.09 0.00 0.00 57.88 57.48 1xke h LEU 122 Cb 0.08 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.53 1xke h LEU 122 CO 0.00 0.88 -2.16 -0.67 0.09 0.00 0.00 178.44 176.58 1xke n ASP 123 N -4.37 2.25 -4.82 -0.43 2.03 0.60 -4.97 116.55 106.84 1xke n ASP 123 Ca 0.05 -0.10 -0.36 0.00 0.52 0.00 0.00 54.79 54.91 1xke n ASP 123 Cb 0.19 -0.18 -0.06 0.00 -0.72 0.00 0.00 41.12 40.35 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 -2.41 4.62 0.43 5.18 -5.25 -0.74 -5.04 121.20 117.99 1xke s ILE 124 Ca -0.25 1.19 -0.25 0.00 -0.99 0.00 0.00 60.65 60.35 1xke s ILE 124 Cb 0.07 -3.82 -0.08 0.00 2.95 0.00 0.00 42.46 41.58 1xke s ILE 124 CO 0.50 0.17 1.22 -2.84 -1.79 0.00 0.00 174.94 172.20 1xke s PRO 125 N -2.08 3.87 0.37 0.37 0.02 -1.26 -4.67 135.00 131.62 1xke s PRO 125 Ca 0.44 1.95 0.10 0.00 0.02 0.00 0.00 61.00 63.50 1xke s PRO 125 Cb -0.16 -2.59 0.71 0.00 0.02 0.00 0.00 34.50 32.48 1xke s PRO 125 CO 0.20 -0.50 1.85 1.25 -0.33 0.00 0.00 177.00 179.47 1xke h LEU 126 N 2.40 0.15 0.00 -5.54 5.85 -1.94 -3.43 115.31 112.79 1xke h LEU 126 Ca -0.49 -0.04 -0.17 0.00 0.84 0.00 0.00 57.88 58.02 1xke h LEU 126 Cb 1.25 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.24 1xke h LEU 126 CO 0.61 0.42 -0.05 0.00 -0.34 0.00 0.00 178.44 179.09 1xke n GLN 127 N -4.18 1.00 -2.87 1.25 6.02 -1.26 -5.08 117.38 112.25 1xke n GLN 127 Ca -0.01 -1.04 -0.41 0.00 -0.01 0.00 0.00 57.00 55.52 1xke n GLN 127 Cb 0.35 -0.01 -0.04 0.00 1.02 0.00 0.00 30.24 31.56 1xke n GLN 127 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1xke s THR 128 N -0.41 4.89 0.48 5.09 2.01 -1.26 -5.02 115.64 121.41 1xke s THR 128 Ca 0.16 1.77 -0.24 0.00 0.31 0.00 0.00 61.69 63.69 1xke s THR 128 Cb -0.01 -4.19 -0.07 0.00 0.01 0.00 0.00 72.50 68.24 1xke s THR 128 CO 0.10 0.24 1.39 -2.16 -0.69 0.00 0.00 174.62 173.50 1xke s PRO 129 N 0.69 3.54 0.00 4.92 0.04 -1.26 -5.09 135.00 137.85 1xke s PRO 129 Ca 0.44 2.32 0.15 0.00 0.04 0.00 0.00 61.00 63.95 1xke s PRO 129 Cb -0.20 -2.53 0.12 0.00 0.04 0.00 0.00 34.50 31.93 1xke s PRO 129 CO 0.24 -0.89 0.98 1.63 0.04 0.00 0.00 177.00 178.99