#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cxa n GLU 2 N 0.00 2.01 -2.28 -1.09 1.02 -1.26 -4.95 120.64 114.09 1cxa n GLU 2 Ca 0.00 -1.50 -0.26 0.00 -0.02 0.00 0.00 57.16 55.38 1cxa n GLU 2 Cb 0.00 -1.46 0.11 0.00 -0.02 0.00 0.00 31.44 30.08 1cxa n GLU 2 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1cxa s GLY 3 N -1.75 1.74 -0.44 0.62 0.00 -1.26 -5.02 107.32 101.21 1cxa s GLY 3 Ca 0.34 -1.30 -0.17 0.00 0.00 0.00 0.00 44.72 43.60 1cxa s GLY 3 CO 0.30 -0.74 0.45 -0.35 0.00 0.00 0.00 173.10 172.76 1cxa s ASP 4 N -4.69 6.19 0.36 1.64 -1.08 -1.26 -4.80 116.67 113.02 1cxa s ASP 4 Ca 0.66 -0.84 0.03 0.00 -0.52 0.00 0.00 52.55 51.88 1cxa s ASP 4 Cb -0.07 -2.22 0.67 0.00 -1.46 0.00 0.00 42.92 39.83 1cxa s ASP 4 CO 0.46 -0.64 2.00 1.55 0.52 0.00 0.00 175.17 179.07 1cxa h PRO 5 N 8.77 0.74 -0.13 4.34 0.14 -1.84 0.20 132.00 144.22 1cxa h PRO 5 Ca -0.27 -0.06 -0.15 0.00 0.14 0.00 0.00 66.00 65.66 1cxa h PRO 5 Cb 1.11 -0.16 -0.01 0.00 0.14 0.00 0.00 31.00 32.08 1cxa h PRO 5 CO 0.83 0.52 -0.54 0.93 0.14 0.00 0.00 178.00 179.88 1cxa h GLU 6 N 0.75 0.39 0.00 0.86 3.07 -1.91 -0.33 114.58 117.41 1cxa h GLU 6 Ca 0.20 -0.24 -0.07 0.00 -0.50 0.00 0.00 59.36 58.74 1cxa h GLU 6 Cb -0.02 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 27.90 1cxa h GLU 6 CO -0.04 0.83 -0.34 0.00 -1.40 0.00 0.00 179.01 178.07 1cxa h ALA 7 N 1.12 0.95 0.11 3.43 0.00 -1.34 -2.30 119.26 121.23 1cxa h ALA 7 Ca 0.01 -0.31 -0.28 0.00 0.00 0.00 0.00 54.91 54.33 1cxa h ALA 7 Cb 1.05 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.80 1cxa h ALA 7 CO 0.09 0.42 -1.19 0.78 0.00 0.00 0.00 179.25 179.35 1cxa h GLY 8 N 2.33 0.50 1.00 0.00 0.00 -0.47 0.22 103.07 106.65 1cxa h GLY 8 Ca -0.00 -1.08 0.08 0.00 0.00 0.00 0.00 47.33 46.32 1cxa h GLY 8 CO 0.04 0.95 0.45 0.00 0.00 0.00 0.00 176.54 177.99 1cxa h ALA 9 N 0.49 1.83 0.08 3.60 0.00 -0.49 0.07 119.26 124.84 1cxa h ALA 9 Ca -0.15 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.48 1cxa h ALA 9 Cb 1.88 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 19.53 1cxa h ALA 9 CO 0.21 0.04 -1.14 1.57 0.00 0.00 0.00 179.25 179.93 1cxa h LYS 10 N 0.62 0.41 0.00 0.00 2.10 -0.78 -3.21 116.57 115.70 1cxa h LYS 10 Ca 0.31 -0.55 0.00 0.00 -2.00 0.00 0.00 60.65 58.41 1cxa h LYS 10 Cb 0.40 0.18 0.00 0.00 -0.90 0.00 0.00 32.23 31.91 1cxa h LYS 10 CO -0.10 1.22 0.00 0.00 -2.00 0.00 0.00 179.45 178.57 1cxa n ALA 11 N -2.57 1.77 0.31 0.07 0.00 -0.18 -1.67 120.51 118.24 1cxa n ALA 11 Ca -0.09 0.07 0.16 0.00 0.00 0.00 0.00 53.44 53.57 1cxa n ALA 11 Cb 0.95 -1.40 0.73 0.00 0.00 0.00 0.00 19.45 19.73 1cxa n ALA 11 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1cxa h PHE 12 N 0.00 0.00 -0.14 0.00 3.57 -0.99 -1.30 116.94 118.08 1cxa h PHE 12 Ca 0.00 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.54 1cxa h PHE 12 Cb 0.43 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.16 1cxa h PHE 12 CO 0.00 0.00 0.15 -0.91 -2.23 0.00 0.00 178.31 175.32 1cxa h ASN 13 N 0.00 0.00 0.05 0.41 4.21 -1.49 -1.95 115.58 116.80 1cxa h ASN 13 Ca 0.00 0.00 -0.07 0.00 1.21 0.00 0.00 56.30 57.44 1cxa h ASN 13 Cb 0.28 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.47 1cxa h ASN 13 CO 0.00 0.00 -0.20 1.56 -1.29 0.00 0.00 177.43 177.50 1cxa h GLN 14 N 0.00 0.29 0.00 0.81 4.20 -1.47 -3.29 115.11 115.65 1cxa h GLN 14 Ca 0.06 -0.09 -0.09 0.00 0.06 0.00 0.00 58.65 58.60 1cxa h GLN 14 Cb 0.37 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 1cxa h GLN 14 CO -0.00 0.49 -0.79 0.00 -0.67 0.00 0.00 178.83 177.86 1cxa n GLN 16 N -3.00 0.11 0.22 0.00 10.64 -0.97 -0.43 117.38 123.96 1cxa n GLN 16 Ca -0.01 0.21 0.06 0.00 -1.83 0.00 0.00 57.00 55.43 1cxa n GLN 16 Cb 0.70 -1.50 0.50 0.00 -0.86 0.00 0.00 30.24 29.07 1cxa n GLN 16 CO 0.00 0.00 0.00 1.15 -1.83 0.00 0.00 177.06 176.38 1cxa h THR 17 N 0.00 1.02 0.00 -0.39 2.02 -1.77 -3.31 112.91 110.48 1cxa h THR 17 Ca 0.00 -0.89 0.00 0.00 0.77 0.00 0.00 66.41 66.29 1cxa h THR 17 Cb 0.16 1.50 0.00 0.00 -1.74 0.00 0.00 68.15 68.07 1cxa h THR 17 CO 0.00 0.24 -0.80 0.00 0.37 0.00 0.00 175.52 175.33 1cxa s HIS 19 N -1.68 2.13 0.00 0.00 3.76 0.43 -0.25 115.29 119.68 1cxa s HIS 19 Ca 0.00 -0.82 -0.17 0.00 -0.15 0.00 0.00 55.06 53.92 1cxa s HIS 19 Cb 0.00 -1.72 0.03 0.00 1.11 0.00 0.00 32.58 32.00 1cxa s HIS 19 CO 0.00 0.24 0.36 0.54 -0.85 0.00 0.00 174.74 175.03 1cxa s VAL 20 N -2.79 0.06 -0.32 -0.90 0.11 -1.26 -4.12 120.40 111.18 1cxa s VAL 20 Ca 0.21 -0.46 -0.02 0.00 -2.93 0.00 0.00 61.98 58.78 1cxa s VAL 20 Cb 0.04 -0.76 0.06 0.00 -1.53 0.00 0.00 36.38 34.19 1cxa s VAL 20 CO 0.11 -0.25 0.03 -0.63 -3.33 0.00 0.00 175.10 171.03 1cxa s ILE 21 N -1.69 3.01 -0.19 7.04 1.01 -0.75 -1.06 121.20 128.56 1cxa s ILE 21 Ca -0.11 -1.52 0.00 0.00 0.00 0.00 0.00 60.65 59.03 1cxa s ILE 21 Cb -0.03 -2.80 0.05 0.00 0.01 0.00 0.00 42.46 39.68 1cxa s ILE 21 CO 0.03 -0.21 -0.07 -0.69 0.00 0.00 0.00 174.94 173.99 1cxa s VAL 22 N 1.22 1.42 1.28 2.92 1.01 -1.26 -0.58 120.40 126.41 1cxa s VAL 22 Ca -0.03 -0.91 -0.18 0.00 0.00 0.00 0.00 61.98 60.86 1cxa s VAL 22 Cb -0.20 -1.58 0.32 0.00 0.00 0.00 0.00 36.38 34.92 1cxa s VAL 22 CO -0.02 0.09 0.99 1.51 0.00 0.00 0.00 175.10 177.68 1cxa s ASP 23 N 1.48 0.10 0.56 3.32 1.47 -0.89 -4.66 116.67 118.05 1cxa s ASP 23 Ca -0.01 1.13 0.33 0.00 1.18 0.00 0.00 52.55 55.18 1cxa s ASP 23 Cb -0.16 -1.69 1.61 0.00 -0.34 0.00 0.00 42.92 42.33 1cxa s ASP 23 CO -0.08 -4.69 2.09 0.44 0.68 0.00 0.00 175.17 173.62 1cxa h ASP 24 N -2.96 0.00 1.00 2.11 3.32 -1.99 -1.41 116.42 116.50 1cxa h ASP 24 Ca -0.53 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.46 1cxa h ASP 24 Cb 1.34 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.88 1cxa h ASP 24 CO 0.40 0.06 -0.31 0.28 -1.72 0.00 0.00 179.24 177.95 1cxa h SER 25 N 0.00 0.00 0.00 6.45 0.02 -2.05 -3.46 113.55 114.50 1cxa h SER 25 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1cxa h SER 25 Cb 0.35 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.89 1cxa h SER 25 CO 0.01 0.31 0.00 0.61 -1.14 0.00 0.00 176.83 176.62 1cxa n GLY 26 N 0.36 1.26 3.74 -3.77 0.00 -0.53 -5.06 105.19 101.18 1cxa n GLY 26 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1cxa n GLY 26 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1cxa s THR 27 N -2.00 5.06 -0.29 2.61 2.01 -1.26 -4.76 115.64 117.01 1cxa s THR 27 Ca 0.00 1.12 -0.29 0.00 0.31 0.00 0.00 61.69 62.83 1cxa s THR 27 Cb 0.00 -3.88 -0.01 0.00 0.01 0.00 0.00 72.50 68.62 1cxa s THR 27 CO 0.00 0.36 1.45 -0.89 -0.69 0.00 0.00 174.62 174.85 1cxa s THR 28 N 0.26 3.92 -0.08 -0.82 2.01 -1.26 -2.10 115.64 117.57 1cxa s THR 28 Ca 0.29 1.02 0.14 0.00 0.31 0.00 0.00 61.69 63.46 1cxa s THR 28 Cb -0.17 -3.98 -0.17 0.00 0.01 0.00 0.00 72.50 68.20 1cxa s THR 28 CO 0.14 -0.44 0.82 0.40 -0.69 0.00 0.00 174.62 174.85 1cxa h ILE 29 N 6.13 0.72 -2.56 1.82 2.04 -1.22 -3.49 117.51 120.95 1cxa h ILE 29 Ca -0.29 -2.36 -0.07 0.00 1.00 0.00 0.00 64.86 63.14 1cxa h ILE 29 Cb 1.12 2.25 -0.17 0.00 -0.74 0.00 0.00 36.82 39.27 1cxa h ILE 29 CO 1.03 0.41 0.05 0.00 0.00 0.00 0.00 178.15 179.64 1cxa s ALA 30 N -2.79 -1.41 0.18 1.87 0.00 -1.19 -4.96 121.76 113.47 1cxa s ALA 30 Ca -0.03 0.79 0.00 0.00 0.00 0.00 0.00 51.96 52.72 1cxa s ALA 30 Cb 0.08 0.23 0.00 0.00 0.00 0.00 0.00 23.12 23.44 1cxa s ALA 30 CO 0.81 -0.44 0.00 0.41 0.00 0.00 0.00 175.76 176.55 1cxa n GLY 31 N 0.66 -2.29 0.13 0.00 0.00 -1.26 -1.82 105.19 100.62 1cxa n GLY 31 Ca -0.19 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.48 1cxa n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cxa n ARG 32 N -3.11 0.00 -0.42 1.61 5.12 -1.26 -4.92 116.66 113.68 1cxa n ARG 32 Ca -0.02 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.90 1cxa n ARG 32 Cb 0.24 -0.07 0.00 0.00 -1.16 0.00 0.00 32.46 31.47 1cxa n ARG 32 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1cxa n ASN 33 N -1.60 0.00 -4.71 0.55 3.02 -1.26 -4.99 115.26 106.28 1cxa n ASN 33 Ca 0.00 -1.74 -0.43 0.00 -0.03 0.00 0.00 54.58 52.38 1cxa n ASN 33 Cb 0.00 -0.15 -0.03 0.00 -0.61 0.00 0.00 39.78 38.99 1cxa n ASN 33 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1cxa n ALA 34 N 0.00 2.24 0.09 5.41 0.00 -1.26 -4.89 120.51 122.09 1cxa n ALA 34 Ca 0.00 0.41 0.01 0.00 0.00 0.00 0.00 53.44 53.86 1cxa n ALA 34 Cb 0.65 -2.44 -0.02 0.00 0.00 0.00 0.00 19.45 17.64 1cxa n ALA 34 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1cxa n LYS 35 N 3.17 4.58 -0.29 0.00 4.76 -1.26 -4.49 118.16 124.63 1cxa n LYS 35 Ca 0.14 -0.01 0.07 0.00 -2.87 0.00 0.00 58.31 55.64 1cxa n LYS 35 Cb 0.34 -0.74 0.17 0.00 -1.84 0.00 0.00 35.03 32.96 1cxa n LYS 35 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 1cxa h THR 36 N 0.00 0.22 -0.61 -0.18 2.02 -1.88 -3.43 112.91 109.04 1cxa h THR 36 Ca 0.00 -0.02 -0.53 0.00 0.77 0.00 0.00 66.41 66.63 1cxa h THR 36 Cb 0.08 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 66.65 1cxa h THR 36 CO 0.00 0.01 -0.15 -0.83 0.37 0.00 0.00 175.52 174.92 1cxa s GLY 37 N -3.91 1.94 0.63 2.16 0.00 0.66 -4.91 107.32 103.89 1cxa s GLY 37 Ca -0.14 -1.85 -0.10 0.00 0.00 0.00 0.00 44.72 42.63 1cxa s GLY 37 CO 0.76 -1.80 1.02 2.56 0.00 0.00 0.00 173.10 175.64 1cxa s PRO 38 N -4.57 3.36 0.06 2.90 0.04 -1.26 -4.66 135.00 130.87 1cxa s PRO 38 Ca 0.52 0.59 -0.31 0.00 0.04 0.00 0.00 61.00 61.84 1cxa s PRO 38 Cb -0.04 -2.10 -0.08 0.00 0.04 0.00 0.00 34.50 32.32 1cxa s PRO 38 CO 0.33 -0.67 1.54 1.21 0.04 0.00 0.00 177.00 179.46 1cxa s ASN 39 N -4.23 6.70 0.00 6.66 2.47 -1.26 -4.31 114.94 120.97 1cxa s ASN 39 Ca 0.55 2.37 0.16 0.00 0.42 0.00 0.00 52.86 56.36 1cxa s ASN 39 Cb -0.11 -2.57 0.74 0.00 -1.45 0.00 0.00 41.25 37.86 1cxa s ASN 39 CO 0.52 -0.81 1.51 0.18 -3.72 0.00 0.00 177.10 174.78 1cxa n LEU 40 N 5.23 0.93 -4.66 3.21 4.32 -0.22 -4.80 117.00 121.00 1cxa n LEU 40 Ca 0.14 -0.41 -0.43 0.00 -0.02 0.00 0.00 56.01 55.30 1cxa n LEU 40 Cb 0.41 -0.07 -0.02 0.00 -1.62 0.00 0.00 43.42 42.12 1cxa n LEU 40 CO 0.61 0.20 1.14 -0.47 -1.22 0.00 0.00 177.39 177.65 1cxa s TYR 41 N -1.85 2.67 0.00 -1.77 5.04 -1.26 -2.61 117.35 117.56 1cxa s TYR 41 Ca 0.26 0.83 0.00 0.00 -2.44 0.00 0.00 57.07 55.72 1cxa s TYR 41 Cb 0.13 -3.60 0.00 0.00 0.35 0.00 0.00 41.96 38.84 1cxa s TYR 41 CO 0.20 -2.19 0.00 0.41 -1.34 0.00 0.00 175.55 172.63 1cxa n GLY 42 N 3.72 0.66 0.14 8.97 0.00 0.85 -4.91 105.19 114.62 1cxa n GLY 42 Ca 0.14 -0.42 0.01 0.00 0.00 0.00 0.00 46.02 45.76 1cxa n GLY 42 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1cxa h VAL 43 N 0.00 1.05 -2.11 1.61 3.04 -1.64 -3.39 116.25 114.81 1cxa h VAL 43 Ca 0.00 -2.26 -0.57 0.00 -1.01 0.00 0.00 66.70 62.85 1cxa h VAL 43 Cb 0.00 2.37 -0.01 0.00 -2.01 0.00 0.00 31.29 31.64 1cxa h VAL 43 CO 0.00 0.56 1.45 -0.69 -1.01 0.00 0.00 177.57 177.88 1cxa s VAL 44 N -3.10 3.12 0.00 1.51 1.01 -1.26 -1.01 120.40 120.67 1cxa s VAL 44 Ca 0.02 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.12 1cxa s VAL 44 Cb 0.09 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.30 1cxa s VAL 44 CO 0.74 -0.12 0.00 0.61 0.00 0.00 0.00 175.10 176.34 1cxa n GLY 45 N 5.71 0.60 3.88 4.51 0.00 0.94 -4.93 105.19 115.91 1cxa n GLY 45 Ca 0.29 -0.25 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 1cxa n GLY 45 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1cxa s ARG 46 N -0.63 3.76 -0.08 1.61 3.52 -0.18 -4.36 118.95 122.60 1cxa s ARG 46 Ca 0.00 0.22 -0.30 0.00 -0.13 0.00 0.00 55.73 55.53 1cxa s ARG 46 Cb 0.00 -2.63 -0.03 0.00 -1.56 0.00 0.00 34.95 30.73 1cxa s ARG 46 CO 0.00 0.27 1.19 0.99 -0.81 0.00 0.00 175.30 176.94 1cxa s THR 47 N -1.91 4.31 0.11 4.11 2.01 -1.26 -0.07 115.64 122.92 1cxa s THR 47 Ca 0.47 1.62 -0.35 0.00 0.31 0.00 0.00 61.69 63.74 1cxa s THR 47 Cb -0.11 -4.04 -0.17 0.00 0.01 0.00 0.00 72.50 68.19 1cxa s THR 47 CO 0.24 -0.03 1.08 0.00 -0.69 0.00 0.00 174.62 175.22 1cxa n ALA 48 N 5.43 -1.97 -1.80 7.40 0.00 0.28 -2.44 120.51 127.42 1cxa n ALA 48 Ca 0.11 0.51 -0.07 0.00 0.00 0.00 0.00 53.44 53.99 1cxa n ALA 48 Cb 0.46 -1.90 -0.01 0.00 0.00 0.00 0.00 19.45 18.00 1cxa n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cxa n GLY 49 N 1.95 0.39 0.02 0.00 0.00 -1.26 -3.97 105.19 102.32 1cxa n GLY 49 Ca 0.18 -0.63 0.01 0.00 0.00 0.00 0.00 46.02 45.57 1cxa n GLY 49 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1cxa n THR 50 N -3.56 0.86 -1.67 2.61 -2.24 -1.02 -4.73 114.28 104.52 1cxa n THR 50 Ca -0.08 -0.89 -0.43 0.00 -2.27 0.00 0.00 64.05 60.38 1cxa n THR 50 Cb 0.45 0.54 -0.03 0.00 -2.10 0.00 0.00 70.33 69.18 1cxa n THR 50 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1cxa n GLN 51 N -0.47 2.75 -0.33 -0.78 0.00 -1.26 -4.86 117.38 112.43 1cxa n GLN 51 Ca 0.01 1.00 0.13 0.00 -0.00 0.00 0.00 57.00 58.15 1cxa n GLN 51 Cb 0.34 -2.93 0.31 0.00 0.00 0.00 0.00 30.24 27.97 1cxa n GLN 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1cxa h ALA 52 N 9.79 1.56 -0.00 1.69 0.00 -1.99 0.16 119.26 130.46 1cxa h ALA 52 Ca -0.49 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1cxa h ALA 52 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1cxa h ALA 52 CO 0.94 -0.17 -0.20 -0.25 0.00 0.00 0.00 179.25 179.58 1cxa n ASP 53 N -4.88 0.56 -4.75 0.00 8.00 -1.26 -4.88 116.55 109.34 1cxa n ASP 53 Ca 0.22 -0.49 -0.40 0.00 0.71 0.00 0.00 54.79 54.84 1cxa n ASP 53 Cb 0.60 -0.01 -0.05 0.00 -0.02 0.00 0.00 41.12 41.63 1cxa n ASP 53 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1cxa s PHE 54 N -2.62 3.82 -0.22 1.24 5.36 0.56 -4.91 117.98 121.21 1cxa s PHE 54 Ca 0.23 1.62 0.03 0.00 -0.96 0.00 0.00 56.93 57.86 1cxa s PHE 54 Cb 0.19 -2.87 -0.02 0.00 -0.34 0.00 0.00 43.02 39.98 1cxa s PHE 54 CO 0.53 0.33 0.25 1.63 -1.46 0.00 0.00 175.22 176.51 1cxa n LYS 55 N 2.39 4.30 -1.18 10.12 4.01 -1.26 -4.59 118.16 131.95 1cxa n LYS 55 Ca -0.02 -0.18 -0.22 0.00 -0.51 0.00 0.00 58.31 57.38 1cxa n LYS 55 Cb 0.49 -0.75 0.17 0.00 -0.51 0.00 0.00 35.03 34.43 1cxa n LYS 55 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1cxa n GLY 56 N 0.84 4.73 3.77 0.72 0.00 -1.26 -4.97 105.19 109.03 1cxa n GLY 56 Ca 0.01 -1.25 -0.38 0.00 0.00 0.00 0.00 46.02 44.40 1cxa n GLY 56 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1cxa s TYR 57 N -3.35 3.21 0.63 1.61 2.02 -1.26 -4.92 117.35 115.30 1cxa s TYR 57 Ca 0.56 1.62 -0.09 0.00 -0.37 0.00 0.00 57.07 58.78 1cxa s TYR 57 Cb 0.47 -3.25 -0.00 0.00 -0.40 0.00 0.00 41.96 38.78 1cxa s TYR 57 CO 0.08 -0.90 0.99 0.20 -1.57 0.00 0.00 175.55 174.35 1cxa s GLY 58 N -1.33 1.61 0.30 0.71 0.00 -1.26 -4.91 107.32 102.45 1cxa s GLY 58 Ca 0.56 -0.43 0.00 0.00 0.00 0.00 0.00 44.72 44.86 1cxa s GLY 58 CO 0.33 -0.13 1.88 0.83 0.00 0.00 0.00 173.10 176.02 1cxa h GLU 59 N -0.36 0.80 -0.82 2.90 3.07 -1.99 -2.50 114.58 115.69 1cxa h GLU 59 Ca -0.45 -0.13 0.00 0.00 -0.50 0.00 0.00 59.36 58.28 1cxa h GLU 59 Cb 1.24 -0.14 -0.04 0.00 -0.84 0.00 0.00 28.75 28.97 1cxa h GLU 59 CO 0.62 0.67 0.52 0.78 -1.40 0.00 0.00 179.01 180.21 1cxa h GLY 60 N 0.93 1.16 0.94 -3.84 0.00 -1.98 -0.76 103.07 99.51 1cxa h GLY 60 Ca 0.18 -0.45 -0.07 0.00 0.00 0.00 0.00 47.33 47.00 1cxa h GLY 60 CO -0.01 0.44 -0.03 1.98 0.00 0.00 0.00 176.54 178.92 1cxa h MET 61 N 1.11 0.67 -0.18 4.80 -1.53 -1.92 -1.04 114.93 116.85 1cxa h MET 61 Ca 0.30 -0.23 -0.07 0.00 -3.44 0.00 0.00 59.70 56.26 1cxa h MET 61 Cb -0.10 -0.05 -0.01 0.00 -0.55 0.00 0.00 31.60 30.89 1cxa h MET 61 CO -0.06 0.80 -0.18 0.87 0.14 0.00 0.00 176.91 178.48 1cxa h LYS 62 N 0.48 0.31 0.03 0.39 1.57 -1.32 -2.25 116.57 115.78 1cxa h LYS 62 Ca 0.10 -0.09 -0.24 0.00 -1.87 0.00 0.00 60.65 58.55 1cxa h LYS 62 Cb 0.51 -0.03 0.02 0.00 0.08 0.00 0.00 32.23 32.81 1cxa h LYS 62 CO 0.03 0.49 -0.96 1.49 -0.57 0.00 0.00 179.45 179.92 1cxa h GLU 63 N 0.29 0.60 -0.91 3.15 4.81 -1.10 -0.50 114.58 120.93 1cxa h GLU 63 Ca 0.05 -0.69 0.07 0.00 -0.13 0.00 0.00 59.36 58.66 1cxa h GLU 63 Cb 0.49 0.20 -0.06 0.00 0.63 0.00 0.00 28.75 30.01 1cxa h GLU 63 CO 0.03 1.28 0.57 0.00 -0.73 0.00 0.00 179.01 180.16 1cxa h ALA 64 N 0.34 1.26 -0.64 2.92 0.00 -1.03 0.23 119.26 122.34 1cxa h ALA 64 Ca -0.13 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 1cxa h ALA 64 Cb 1.64 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 19.15 1cxa h ALA 64 CO 0.19 0.32 0.18 0.78 0.00 0.00 0.00 179.25 180.72 1cxa h GLY 65 N 1.03 1.06 2.00 0.00 0.00 -1.20 0.52 103.07 106.48 1cxa h GLY 65 Ca 0.40 -0.61 -0.05 0.00 0.00 0.00 0.00 47.33 47.06 1cxa h GLY 65 CO -0.18 0.58 -0.25 0.00 0.00 0.00 0.00 176.54 176.68 1cxa h ALA 66 N 1.25 1.25 -0.00 3.60 0.00 -0.34 0.11 119.26 125.12 1cxa h ALA 66 Ca 0.21 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1cxa h ALA 66 Cb 0.29 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1cxa h ALA 66 CO -0.01 0.32 -0.06 1.63 0.00 0.00 0.00 179.25 181.13 1cxa n LYS 67 N -3.75 0.75 0.00 0.00 4.76 0.73 -4.84 118.16 115.81 1cxa n LYS 67 Ca -0.01 -0.19 0.00 0.00 -2.87 0.00 0.00 58.31 55.24 1cxa n LYS 67 Cb 0.36 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.05 1cxa n LYS 67 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1cxa n GLY 68 N 1.22 1.82 3.57 0.72 0.00 0.02 -5.05 105.19 107.49 1cxa n GLY 68 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1cxa n GLY 68 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1cxa s LEU 69 N 0.00 4.30 -0.04 0.99 2.96 0.16 -4.98 118.68 122.07 1cxa s LEU 69 Ca 0.00 0.03 0.04 0.00 -0.22 0.00 0.00 54.13 53.98 1cxa s LEU 69 Cb 0.00 -2.55 -0.03 0.00 0.50 0.00 0.00 46.19 44.11 1cxa s LEU 69 CO 0.00 -0.42 -0.16 0.00 -1.32 0.00 0.00 176.35 174.45 1cxa s ALA 70 N 2.32 2.59 -0.06 5.97 0.00 -1.26 -0.56 121.76 130.77 1cxa s ALA 70 Ca 0.18 -1.01 -0.30 0.00 0.00 0.00 0.00 51.96 50.83 1cxa s ALA 70 Cb -0.16 -0.90 -0.04 0.00 0.00 0.00 0.00 23.12 22.03 1cxa s ALA 70 CO 0.12 0.55 1.35 -1.58 0.00 0.00 0.00 175.76 176.21 1cxa s TRP 71 N -0.73 2.83 0.08 0.00 0.52 0.89 -4.81 118.94 117.73 1cxa s TRP 71 Ca 0.11 0.89 0.00 0.00 0.02 0.00 0.00 56.10 57.13 1cxa s TRP 71 Cb -0.11 -3.60 -0.00 0.00 -1.15 0.00 0.00 33.47 28.62 1cxa s TRP 71 CO 0.01 -2.16 0.02 -0.40 0.02 0.00 0.00 176.95 174.43 1cxa n ASP 72 N 5.83 1.55 0.19 2.95 5.68 -1.26 -0.04 116.55 131.45 1cxa n ASP 72 Ca 0.13 -1.41 -0.12 0.00 -0.50 0.00 0.00 54.79 52.89 1cxa n ASP 72 Cb 0.44 0.14 -0.07 0.00 -1.14 0.00 0.00 41.12 40.49 1cxa n ASP 72 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1cxa h GLU 73 N 0.00 -0.50 -0.87 0.11 4.81 -1.99 -1.69 114.58 114.44 1cxa h GLU 73 Ca -0.07 0.03 0.17 0.00 -0.13 0.00 0.00 59.36 59.37 1cxa h GLU 73 Cb 0.23 0.11 -0.16 0.00 0.63 0.00 0.00 28.75 29.56 1cxa h GLU 73 CO 0.11 -0.19 -0.24 1.49 -0.73 0.00 0.00 179.01 179.45 1cxa h GLU 74 N -0.94 -0.01 0.13 1.92 4.81 -1.99 -1.67 114.58 116.83 1cxa h GLU 74 Ca -0.05 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 1cxa h GLU 74 Cb 0.55 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.93 1cxa h GLU 74 CO 0.09 -0.01 -0.06 0.45 -0.73 0.00 0.00 179.01 178.75 1cxa h HIS 75 N -0.01 -0.16 -1.01 0.92 3.86 -1.93 -2.88 115.15 113.94 1cxa h HIS 75 Ca 0.41 -0.00 0.26 0.00 -1.16 0.00 0.00 60.37 59.87 1cxa h HIS 75 Cb 0.63 0.05 -0.07 0.00 1.06 0.00 0.00 27.41 29.08 1cxa h HIS 75 CO -0.70 0.25 0.68 0.35 0.86 0.00 0.00 177.93 179.37 1cxa h PHE 76 N -0.61 0.45 0.01 2.45 3.04 -1.22 -1.27 116.94 119.79 1cxa h PHE 76 Ca -0.02 0.02 -0.05 0.00 3.98 0.00 0.00 57.97 61.90 1cxa h PHE 76 Cb 0.48 -0.13 0.00 0.00 2.56 0.00 0.00 35.95 38.86 1cxa h PHE 76 CO 0.06 0.06 -0.19 0.28 -2.02 0.00 0.00 178.31 176.50 1cxa h VAL 77 N 0.29 1.61 -0.14 1.41 2.07 -1.37 -1.92 116.25 118.20 1cxa h VAL 77 Ca 0.54 -2.06 0.02 0.00 0.82 0.00 0.00 66.70 66.02 1cxa h VAL 77 Cb 1.57 2.97 -0.02 0.00 -1.52 0.00 0.00 31.29 34.28 1cxa h VAL 77 CO -0.19 0.55 0.01 1.56 0.02 0.00 0.00 177.57 179.53 1cxa h GLN 78 N -0.66 0.07 0.03 1.57 4.20 -1.48 -2.84 115.11 116.00 1cxa h GLN 78 Ca -0.03 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1cxa h GLN 78 Cb 1.01 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.77 1cxa h GLN 78 CO 0.04 0.04 -0.07 -0.92 -0.67 0.00 0.00 178.83 177.25 1cxa h TYR 79 N 0.07 -0.20 -0.23 2.96 3.20 -1.03 -2.92 116.97 118.82 1cxa h TYR 79 Ca 0.06 0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.01 1cxa h TYR 79 Cb 0.07 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.41 1cxa h TYR 79 CO -0.14 -0.08 0.51 -0.39 -1.64 0.00 0.00 178.16 176.42 1cxa h VAL 80 N -0.10 0.14 -0.08 1.81 -1.51 -1.45 -2.42 116.25 112.63 1cxa h VAL 80 Ca -0.00 0.00 -0.06 0.00 -1.23 0.00 0.00 66.70 65.41 1cxa h VAL 80 Cb 0.10 0.54 0.00 0.00 -2.13 0.00 0.00 31.29 29.80 1cxa h VAL 80 CO -0.03 0.00 -0.18 1.56 -1.23 0.00 0.00 177.57 177.69 1cxa h GLN 81 N 0.00 0.27 -2.47 5.19 4.20 -1.41 -0.90 115.11 119.99 1cxa h GLN 81 Ca 0.11 -0.18 -0.46 0.00 0.06 0.00 0.00 58.65 58.19 1cxa h GLN 81 Cb 1.13 0.02 -0.37 0.00 0.30 0.00 0.00 27.48 28.57 1cxa h GLN 81 CO -0.00 0.77 -0.73 0.34 -0.67 0.00 0.00 178.83 178.54 1cxa s ASP 82 N -6.15 2.62 0.13 1.46 -1.08 -1.09 -3.29 116.67 109.27 1cxa s ASP 82 Ca -0.15 -1.27 -0.11 0.00 -0.52 0.00 0.00 52.55 50.50 1cxa s ASP 82 Cb 0.04 0.01 -0.08 0.00 -1.46 0.00 0.00 42.92 41.43 1cxa s ASP 82 CO 0.74 -0.39 1.41 -0.65 0.52 0.00 0.00 175.17 176.80 1cxa h PRO 83 N 8.04 0.88 0.06 4.34 0.11 -1.65 -2.23 132.00 141.56 1cxa h PRO 83 Ca -0.12 -0.56 -0.00 0.00 0.11 0.00 0.00 66.00 65.43 1cxa h PRO 83 Cb 1.03 0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1cxa h PRO 83 CO 0.36 1.19 -0.03 1.15 -0.21 0.00 0.00 178.00 180.46 1cxa h THR 84 N 0.68 1.05 -0.91 -1.15 2.02 -1.82 -0.26 112.91 112.53 1cxa h THR 84 Ca 0.02 -0.38 0.16 0.00 0.77 0.00 0.00 66.41 66.97 1cxa h THR 84 Cb 1.16 1.30 -0.10 0.00 -1.74 0.00 0.00 68.15 68.77 1cxa h THR 84 CO 0.12 0.10 0.50 0.50 0.37 0.00 0.00 175.52 177.11 1cxa h LYS 85 N -0.25 0.66 -0.25 6.66 3.64 -1.87 -1.59 116.57 123.57 1cxa h LYS 85 Ca -0.01 -0.04 -0.17 0.00 -1.27 0.00 0.00 60.65 59.17 1cxa h LYS 85 Cb 0.22 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1cxa h LYS 85 CO 0.01 0.44 -0.51 0.35 -2.27 0.00 0.00 179.45 177.47 1cxa h PHE 86 N 0.68 0.88 -0.03 1.91 3.04 -0.79 -1.77 116.94 120.87 1cxa h PHE 86 Ca 0.50 -0.30 -0.13 0.00 3.98 0.00 0.00 57.97 62.02 1cxa h PHE 86 Cb 0.73 -0.17 -0.02 0.00 2.56 0.00 0.00 35.95 39.05 1cxa h PHE 86 CO -0.06 1.07 -0.58 -0.07 -2.02 0.00 0.00 178.31 176.65 1cxa h LEU 87 N 0.56 0.09 -0.20 0.59 3.38 -0.93 0.20 115.31 119.00 1cxa h LEU 87 Ca 0.02 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 1cxa h LEU 87 Cb 1.08 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.80 1cxa h LEU 87 CO 0.11 0.65 -0.20 0.11 0.09 0.00 0.00 178.44 179.19 1cxa h LYS 88 N 0.06 0.48 -0.11 1.13 1.57 -0.86 -1.03 116.57 117.81 1cxa h LYS 88 Ca -0.00 -0.26 -0.06 0.00 -1.87 0.00 0.00 60.65 58.45 1cxa h LYS 88 Cb 1.04 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.36 1cxa h LYS 88 CO 0.08 0.84 -0.18 0.93 -0.57 0.00 0.00 179.45 180.54 1cxa h GLU 89 N 0.15 0.32 -0.48 3.15 5.08 -0.98 -1.34 114.58 120.49 1cxa h GLU 89 Ca 0.03 -0.20 -0.07 0.00 -1.00 0.00 0.00 59.36 58.12 1cxa h GLU 89 Cb 0.75 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.00 1cxa h GLU 89 CO 0.05 0.78 0.01 -0.92 -1.00 0.00 0.00 179.01 177.92 1cxa h TYR 90 N -0.10 0.84 0.00 4.33 3.20 -1.02 -3.12 116.97 121.10 1cxa h TYR 90 Ca 0.01 -0.11 -0.05 0.00 3.14 0.00 0.00 58.73 61.71 1cxa h TYR 90 Cb 0.75 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.78 1cxa h TYR 90 CO 0.10 0.77 -0.66 1.15 -1.64 0.00 0.00 178.16 177.88 1cxa h THR 91 N 0.74 0.28 0.00 1.81 2.02 -1.32 -3.46 112.91 112.98 1cxa h THR 91 Ca 0.14 -1.45 0.00 0.00 0.77 0.00 0.00 66.41 65.87 1cxa h THR 91 Cb 0.44 1.95 0.00 0.00 -1.74 0.00 0.00 68.15 68.80 1cxa h THR 91 CO 0.02 0.16 0.00 0.61 0.37 0.00 0.00 175.52 176.68 1cxa n GLY 92 N 1.20 1.66 3.54 2.16 0.00 -0.51 -4.96 105.19 108.29 1cxa n GLY 92 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1cxa n GLY 92 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1cxa s ASP 93 N -3.21 6.35 0.00 1.61 2.15 -1.19 -4.80 116.67 117.57 1cxa s ASP 93 Ca 0.00 -0.14 0.02 0.00 0.43 0.00 0.00 52.55 52.86 1cxa s ASP 93 Cb 0.00 -2.31 0.13 0.00 -0.30 0.00 0.00 42.92 40.45 1cxa s ASP 93 CO 0.00 -0.65 0.66 0.00 -0.17 0.00 0.00 175.17 175.02 1cxa n ALA 94 N 6.05 2.06 -0.42 3.66 0.00 -1.26 -1.03 120.51 129.57 1cxa n ALA 94 Ca -0.02 -0.01 0.02 0.00 0.00 0.00 0.00 53.44 53.42 1cxa n ALA 94 Cb 0.48 -1.04 0.03 0.00 0.00 0.00 0.00 19.45 18.93 1cxa n ALA 94 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1cxa n LYS 95 N -0.56 2.18 -3.12 0.00 4.01 -1.26 -5.00 118.16 114.41 1cxa n LYS 95 Ca 0.02 -1.61 -0.39 0.00 -0.51 0.00 0.00 58.31 55.82 1cxa n LYS 95 Cb 0.01 -1.04 -0.06 0.00 -0.51 0.00 0.00 35.03 33.43 1cxa n LYS 95 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1cxa s ALA 96 N -1.27 3.50 0.00 7.82 0.00 -0.20 -4.96 121.76 126.66 1cxa s ALA 96 Ca 0.07 0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.24 1cxa s ALA 96 Cb 0.06 -2.81 0.00 0.00 0.00 0.00 0.00 23.12 20.37 1cxa s ALA 96 CO 0.01 0.34 0.00 1.63 0.00 0.00 0.00 175.76 177.74 1cxa n LYS 97 N 1.55 0.00 0.00 0.00 4.01 -1.26 -4.63 118.16 117.82 1cxa n LYS 97 Ca -0.07 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.73 1cxa n LYS 97 Cb 0.50 -0.53 0.00 0.00 -0.51 0.00 0.00 35.03 34.49 1cxa n LYS 97 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1cxa n GLY 98 N 2.69 1.15 0.56 0.72 0.00 -1.26 -4.02 105.19 105.03 1cxa n GLY 98 Ca 0.00 -2.03 0.13 0.00 0.00 0.00 0.00 46.02 44.12 1cxa n GLY 98 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1cxa n LYS 99 N 1.47 1.61 -3.68 1.61 5.02 -1.26 -4.69 118.16 118.24 1cxa n LYS 99 Ca 0.00 -1.13 -0.18 0.00 -2.02 0.00 0.00 58.31 54.98 1cxa n LYS 99 Cb 0.00 -1.48 -0.16 0.00 -0.02 0.00 0.00 35.03 33.37 1cxa n LYS 99 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1cxa s MET 100 N -2.16 -0.01 0.00 1.97 1.75 -1.26 -5.03 119.30 114.56 1cxa s MET 100 Ca 0.30 0.46 0.03 0.00 -1.25 0.00 0.00 55.69 55.23 1cxa s MET 100 Cb 0.20 -0.35 0.01 0.00 2.84 0.00 0.00 34.83 37.53 1cxa s MET 100 CO 0.39 -0.30 0.49 0.25 -0.65 0.00 0.00 175.02 175.21 1cxa n THR 101 N 5.16 0.00 -1.77 10.11 -2.24 -1.26 -4.60 114.28 119.68 1cxa n THR 101 Ca -0.07 -0.49 -0.39 0.00 -2.27 0.00 0.00 64.05 60.83 1cxa n THR 101 Cb 0.50 1.05 0.04 0.00 -2.10 0.00 0.00 70.33 69.82 1cxa n THR 101 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1cxa s PHE 102 N -0.45 2.29 -0.14 4.78 0.08 -1.26 -4.60 117.98 118.68 1cxa s PHE 102 Ca 0.03 1.34 -0.06 0.00 0.12 0.00 0.00 56.93 58.36 1cxa s PHE 102 Cb 0.02 -3.85 -0.04 0.00 -0.57 0.00 0.00 43.02 38.59 1cxa s PHE 102 CO 0.05 -2.98 0.08 0.15 -0.10 0.00 0.00 175.22 172.43 1cxa s LYS 103 N -2.82 3.59 0.63 0.44 1.02 -1.26 -4.42 119.74 116.92 1cxa s LYS 103 Ca 0.70 -0.27 -0.18 0.00 0.02 0.00 0.00 55.97 56.23 1cxa s LYS 103 Cb -0.42 -3.14 -0.02 0.00 -0.52 0.00 0.00 37.83 33.74 1cxa s LYS 103 CO 0.50 0.55 1.29 -1.17 -0.92 0.00 0.00 175.35 175.61 1cxa s LEU 104 N -0.40 3.61 -0.09 3.17 2.96 -0.34 -4.95 118.68 122.62 1cxa s LEU 104 Ca 0.10 2.62 -0.18 0.00 -0.22 0.00 0.00 54.13 56.45 1cxa s LEU 104 Cb -0.12 -4.59 -0.28 0.00 0.50 0.00 0.00 46.19 41.70 1cxa s LEU 104 CO 0.02 -1.94 0.66 0.50 -1.32 0.00 0.00 176.35 174.27 1cxa h LYS 105 N 0.65 0.24 -6.20 1.98 1.63 -1.92 -3.45 116.57 109.51 1cxa h LYS 105 Ca -0.51 -0.42 -0.69 0.00 -0.85 0.00 0.00 60.65 58.18 1cxa h LYS 105 Cb 1.33 0.16 -0.27 0.00 -0.60 0.00 0.00 32.23 32.85 1cxa h LYS 105 CO 0.54 1.20 -0.82 0.15 -3.45 0.00 0.00 179.45 177.06 1cxa s LYS 106 N -2.45 2.53 0.32 1.90 1.02 -1.26 -5.00 119.74 116.80 1cxa s LYS 106 Ca -0.18 -0.79 0.15 0.00 0.02 0.00 0.00 55.97 55.16 1cxa s LYS 106 Cb 0.03 -2.28 0.46 0.00 -0.52 0.00 0.00 37.83 35.51 1cxa s LYS 106 CO 0.78 0.51 1.64 1.49 -0.92 0.00 0.00 175.35 178.84 1cxa h GLU 107 N 5.70 0.00 -0.56 1.68 4.81 -1.99 -0.97 114.58 123.25 1cxa h GLU 107 Ca -0.40 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 58.73 1cxa h GLU 107 Cb 1.16 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.52 1cxa h GLU 107 CO 0.49 0.51 -0.04 0.00 -0.73 0.00 0.00 179.01 179.24 1cxa h ALA 108 N 1.49 0.88 -0.61 2.92 0.00 -2.00 0.11 119.26 122.06 1cxa h ALA 108 Ca -0.01 -0.32 0.08 0.00 0.00 0.00 0.00 54.91 54.67 1cxa h ALA 108 Cb 1.07 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.58 1cxa h ALA 108 CO 0.07 0.65 0.26 -0.44 0.00 0.00 0.00 179.25 179.79 1cxa h ASP 109 N 0.90 0.30 -0.64 0.00 5.19 -1.60 -0.64 116.42 119.92 1cxa h ASP 109 Ca 0.16 0.07 0.11 0.00 -0.62 0.00 0.00 57.03 56.75 1cxa h ASP 109 Cb 0.58 0.02 -0.08 0.00 0.18 0.00 0.00 39.33 40.03 1cxa h ASP 109 CO 0.03 0.18 0.20 0.00 -3.12 0.00 0.00 179.24 176.54 1cxa h ALA 110 N 1.39 0.83 -0.07 3.45 0.00 -0.73 -0.06 119.26 124.07 1cxa h ALA 110 Ca 0.30 0.11 -0.15 0.00 0.00 0.00 0.00 54.91 55.18 1cxa h ALA 110 Cb 0.33 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1cxa h ALA 110 CO -0.27 -0.24 -0.60 0.45 0.00 0.00 0.00 179.25 178.58 1cxa h HIS 111 N 0.35 0.31 -0.04 0.00 3.86 -1.03 -2.24 115.15 116.37 1cxa h HIS 111 Ca 0.34 -0.12 -0.08 0.00 -1.16 0.00 0.00 60.37 59.35 1cxa h HIS 111 Cb 0.48 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 28.90 1cxa h HIS 111 CO -0.20 0.78 -0.29 -0.91 0.86 0.00 0.00 177.93 178.17 1cxa h ASN 112 N 0.18 0.32 -0.25 2.45 -0.26 -1.11 -1.03 115.58 115.88 1cxa h ASN 112 Ca -0.01 -0.70 0.02 0.00 -0.56 0.00 0.00 56.30 55.06 1cxa h ASN 112 Cb 1.11 -0.09 -0.01 0.00 -1.06 0.00 0.00 38.32 38.26 1cxa h ASN 112 CO 0.09 0.96 0.17 0.40 -1.06 0.00 0.00 177.43 178.00 1cxa h ILE 113 N -0.31 1.01 -0.57 2.81 2.04 -0.97 -2.01 117.51 119.52 1cxa h ILE 113 Ca -0.03 -0.09 -0.09 0.00 1.00 0.00 0.00 64.86 65.65 1cxa h ILE 113 Cb 0.98 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.77 1cxa h ILE 113 CO 0.06 0.05 -0.01 -0.25 0.00 0.00 0.00 178.15 177.99 1cxa h TRP 114 N 0.26 1.11 0.00 1.37 2.91 -0.91 0.17 115.95 120.87 1cxa h TRP 114 Ca 0.10 -0.20 -0.03 0.00 1.13 0.00 0.00 58.89 59.89 1cxa h TRP 114 Cb 0.09 -0.29 -0.00 0.00 -0.51 0.00 0.00 29.16 28.45 1cxa h TRP 114 CO -0.00 1.00 -0.16 0.00 -1.03 0.00 0.00 178.44 178.25 1cxa h ALA 115 N 0.97 1.39 0.18 2.65 0.00 -0.74 0.17 119.26 123.87 1cxa h ALA 115 Ca 0.16 -0.14 -0.25 0.00 0.00 0.00 0.00 54.91 54.68 1cxa h ALA 115 Cb 0.56 -0.02 0.03 0.00 0.00 0.00 0.00 17.79 18.36 1cxa h ALA 115 CO 0.03 0.19 -1.08 -0.92 0.00 0.00 0.00 179.25 177.47 1cxa h TYR 116 N 0.00 0.75 -0.84 0.00 3.20 -0.65 -2.46 116.97 116.98 1cxa h TYR 116 Ca -0.00 -0.53 -0.04 0.00 3.14 0.00 0.00 58.73 61.30 1cxa h TYR 116 Cb 0.36 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.56 1cxa h TYR 116 CO 0.00 1.41 0.38 -0.07 -1.64 0.00 0.00 178.16 178.24 1cxa h LEU 117 N -0.12 1.12 -2.45 2.82 3.38 0.91 -0.54 115.31 120.43 1cxa h LEU 117 Ca -0.19 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1cxa h LEU 117 Cb 1.85 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 42.31 1cxa h LEU 117 CO 0.20 0.96 0.00 1.56 0.09 0.00 0.00 178.44 181.25 1cxa h GLN 118 N 1.20 0.00 0.00 1.13 1.08 -0.55 0.24 115.11 118.21 1cxa h GLN 118 Ca 0.28 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.42 1cxa h GLN 118 Cb 0.16 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.57 1cxa h GLN 118 CO -0.03 0.00 -2.04 1.04 -0.95 0.00 0.00 178.83 176.85 1cxa n GLN 119 N -2.84 0.66 0.00 1.46 6.02 -0.53 -4.59 117.38 117.57 1cxa n GLN 119 Ca -0.02 -0.16 0.00 0.00 -0.01 0.00 0.00 57.00 56.81 1cxa n GLN 119 Cb 0.07 -1.53 0.00 0.00 1.02 0.00 0.00 30.24 29.80 1cxa n GLN 119 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 1cxa n VAL 120 N -2.36 0.00 -1.28 5.09 0.24 -0.32 -4.74 118.33 114.96 1cxa n VAL 120 Ca -0.09 -0.14 -0.01 0.00 -2.04 0.00 0.00 64.34 62.06 1cxa n VAL 120 Cb 0.67 0.65 0.22 0.00 -1.47 0.00 0.00 33.84 33.91 1cxa n VAL 120 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1cxa n ALA 121 N -0.69 3.92 -2.49 2.33 0.00 0.84 -4.94 120.51 119.47 1cxa n ALA 121 Ca 0.00 -2.84 -0.43 0.00 0.00 0.00 0.00 53.44 50.18 1cxa n ALA 121 Cb 0.00 -0.77 -0.09 0.00 0.00 0.00 0.00 19.45 18.59 1cxa n ALA 121 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1cxa s VAL 122 N -3.11 5.11 -0.16 0.00 -7.23 -1.24 -0.10 120.40 113.67 1cxa s VAL 122 Ca 0.44 -0.31 -0.29 0.00 -1.81 0.00 0.00 61.98 60.01 1cxa s VAL 122 Cb 0.39 -4.01 -0.05 0.00 0.56 0.00 0.00 36.38 33.27 1cxa s VAL 122 CO 0.04 -0.38 1.82 -0.60 -0.31 0.00 0.00 175.10 175.67 1cxa s ARG 123 N 2.10 3.74 0.00 4.82 3.52 -1.26 -4.90 118.95 126.98 1cxa s ARG 123 Ca 0.12 1.97 0.00 0.00 -0.13 0.00 0.00 55.73 57.69 1cxa s ARG 123 Cb -0.17 -4.13 0.00 0.00 -1.56 0.00 0.00 34.95 29.09 1cxa s ARG 123 CO 0.13 -1.38 0.23 -0.35 -0.81 0.00 0.00 175.30 173.13