#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xdx s GLU 2 N 0.00 3.71 0.00 3.17 2.12 -1.26 -4.84 118.70 121.60 1xdx s GLU 2 Ca 0.00 -0.47 0.00 0.00 0.36 0.00 0.00 54.97 54.86 1xdx s GLU 2 Cb 0.00 -3.19 0.00 0.00 0.26 0.00 0.00 34.13 31.20 1xdx s GLU 2 CO 0.00 0.01 0.00 0.41 -0.54 0.00 0.00 175.26 175.14 1xdx n GLY 3 N 4.31 -1.55 3.74 -1.50 0.00 -1.26 -5.12 105.19 103.80 1xdx n GLY 3 Ca -0.17 0.54 -0.40 0.00 0.00 0.00 0.00 46.02 45.99 1xdx n GLY 3 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xdx s VAL 4 N 0.00 4.84 -0.45 1.61 1.01 -1.26 -4.95 120.40 121.20 1xdx s VAL 4 Ca 0.00 1.57 0.03 0.00 0.00 0.00 0.00 61.98 63.57 1xdx s VAL 4 Cb 0.00 -4.09 0.12 0.00 0.00 0.00 0.00 36.38 32.41 1xdx s VAL 4 CO 0.00 0.33 0.19 -0.62 0.00 0.00 0.00 175.10 175.00 1xdx s ASP 5 N 0.22 4.69 0.40 3.32 -1.08 0.11 -5.01 116.67 119.33 1xdx s ASP 5 Ca 0.38 -2.56 -0.26 0.00 -0.52 0.00 0.00 52.55 49.59 1xdx s ASP 5 Cb -0.20 -1.68 -0.09 0.00 -1.46 0.00 0.00 42.92 39.50 1xdx s ASP 5 CO 0.21 -0.34 1.25 -2.16 0.52 0.00 0.00 175.17 174.65 1xdx s PRO 6 N 0.34 4.00 0.00 4.34 0.04 -1.25 -3.92 135.00 138.56 1xdx s PRO 6 Ca 0.14 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.20 1xdx s PRO 6 Cb -0.22 -2.73 0.00 0.00 0.04 0.00 0.00 34.50 31.59 1xdx s PRO 6 CO -0.04 -0.42 0.00 0.00 0.04 0.00 0.00 177.00 176.58 1xdx n ALA 7 N 0.11 0.00 -0.02 8.56 0.00 0.16 -4.80 120.51 124.52 1xdx n ALA 7 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1xdx n ALA 7 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 1xdx n ALA 7 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1xdx n VAL 8 N 0.00 0.00 -3.21 0.00 0.31 -1.26 -3.16 118.33 111.01 1xdx n VAL 8 Ca 0.00 0.00 -0.46 0.00 -0.01 0.00 0.00 64.34 63.87 1xdx n VAL 8 Cb 0.00 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 32.91 1xdx n VAL 8 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1xdx s GLU 9 N 0.00 3.62 -0.10 5.55 0.41 -1.26 -5.03 118.70 121.88 1xdx s GLU 9 Ca 0.00 -2.28 -0.29 0.00 -0.41 0.00 0.00 54.97 51.99 1xdx s GLU 9 Cb 0.00 -4.58 -0.01 0.00 -1.78 0.00 0.00 34.13 27.76 1xdx s GLU 9 CO 0.00 -1.43 1.00 -2.00 -0.49 0.00 0.00 175.26 172.34 1xdx s GLU 10 N 0.86 4.42 0.30 1.61 -6.30 -1.26 -3.98 118.70 114.35 1xdx s GLU 10 Ca 0.23 1.39 0.09 0.00 -2.50 0.00 0.00 54.97 54.17 1xdx s GLU 10 Cb -0.08 -3.54 -0.04 0.00 0.00 0.00 0.00 34.13 30.46 1xdx s GLU 10 CO -0.09 -0.31 0.09 0.00 0.02 0.00 0.00 175.26 174.97 1xdx s ALA 11 N 2.00 3.38 0.46 6.30 0.00 -1.26 -4.90 121.76 127.73 1xdx s ALA 11 Ca 0.48 -1.69 0.00 0.00 0.00 0.00 0.00 51.96 50.75 1xdx s ALA 11 Cb -0.18 -0.84 0.00 0.00 0.00 0.00 0.00 23.12 22.10 1xdx s ALA 11 CO 0.18 0.16 0.00 0.00 0.00 0.00 0.00 175.76 176.10 1xdx n ALA 12 N -1.05 -3.69 -2.64 0.00 0.00 -1.17 -4.50 120.51 107.46 1xdx n ALA 12 Ca -0.05 0.66 -0.08 0.00 0.00 0.00 0.00 53.44 53.96 1xdx n ALA 12 Cb 0.60 -1.39 0.04 0.00 0.00 0.00 0.00 19.45 18.69 1xdx n ALA 12 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1xdx n PHE 13 N -4.15 1.64 -0.70 0.00 -0.00 -1.26 -5.04 117.46 107.94 1xdx n PHE 13 Ca -0.04 -2.41 -0.32 0.00 -0.00 0.00 0.00 57.45 54.68 1xdx n PHE 13 Cb 0.67 -0.28 0.16 0.00 -0.00 0.00 0.00 39.48 40.03 1xdx n PHE 13 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 1xdx n VAL 14 N -0.46 0.00 -0.85 -2.13 0.31 -1.26 -4.93 118.33 109.01 1xdx n VAL 14 Ca 0.16 -0.08 -0.33 0.00 -0.01 0.00 0.00 64.34 64.07 1xdx n VAL 14 Cb 0.82 -0.87 0.12 0.00 -0.91 0.00 0.00 33.84 33.01 1xdx n VAL 14 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1xdx n ALA 15 N -4.07 -2.02 -0.25 3.52 0.00 -1.26 -4.57 120.51 111.85 1xdx n ALA 15 Ca 0.10 -0.54 -0.06 0.00 0.00 0.00 0.00 53.44 52.94 1xdx n ALA 15 Cb 0.53 -1.90 0.05 0.00 0.00 0.00 0.00 19.45 18.13 1xdx n ALA 15 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1xdx h ASP 16 N -1.44 0.84 0.21 0.00 2.03 -1.97 0.42 116.42 116.52 1xdx h ASP 16 Ca -0.44 -0.08 -0.00 0.00 -0.73 0.00 0.00 57.03 55.78 1xdx h ASP 16 Cb 1.29 -0.21 -0.01 0.00 -0.83 0.00 0.00 39.33 39.56 1xdx h ASP 16 CO 0.37 0.68 -0.17 -0.78 -1.03 0.00 0.00 179.24 178.30 1xdx h ASP 17 N 0.94 -0.45 0.35 4.15 1.82 -1.99 0.30 116.42 121.53 1xdx h ASP 17 Ca 0.24 0.04 -0.21 0.00 -0.39 0.00 0.00 57.03 56.71 1xdx h ASP 17 Cb 0.01 0.15 -0.00 0.00 0.68 0.00 0.00 39.33 40.17 1xdx h ASP 17 CO -0.04 -0.27 -0.86 0.58 -1.61 0.00 0.00 179.24 177.04 1xdx h VAL 18 N -0.40 1.41 -0.28 2.25 2.07 -1.90 -2.74 116.25 116.66 1xdx h VAL 18 Ca -0.01 -2.37 -0.10 0.00 0.82 0.00 0.00 66.70 65.04 1xdx h VAL 18 Cb 0.36 2.32 -0.01 0.00 -1.52 0.00 0.00 31.29 32.45 1xdx h VAL 18 CO -0.02 0.71 -0.22 0.77 0.02 0.00 0.00 177.57 178.83 1xdx h SER 19 N 0.23 0.68 -0.27 0.57 4.64 -0.05 -2.83 113.55 116.52 1xdx h SER 19 Ca -0.06 -0.45 -0.08 0.00 -0.47 0.00 0.00 61.79 60.74 1xdx h SER 19 Cb 1.47 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 63.37 1xdx h SER 19 CO 0.15 0.98 -0.13 -0.55 -0.87 0.00 0.00 176.83 176.41 1xdx h ASN 20 N 0.38 0.58 0.04 4.97 7.08 -0.48 -2.55 115.58 125.60 1xdx h ASN 20 Ca 0.05 -0.41 0.02 0.00 -3.08 0.00 0.00 56.30 52.89 1xdx h ASN 20 Cb 0.77 -0.16 -0.03 0.00 -2.08 0.00 0.00 38.32 36.81 1xdx h ASN 20 CO 0.06 0.86 -0.20 0.40 -2.08 0.00 0.00 177.43 176.47 1xdx h ILE 21 N 0.30 0.53 0.24 6.14 2.04 -1.53 0.98 117.51 126.20 1xdx h ILE 21 Ca 0.06 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.91 1xdx h ILE 21 Cb 0.65 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 37.25 1xdx h ILE 21 CO 0.04 0.00 -0.11 -0.29 0.00 0.00 0.00 178.15 177.79 1xdx h ILE 22 N -0.35 0.77 0.44 -0.67 -0.00 -1.55 0.51 117.51 116.66 1xdx h ILE 22 Ca 0.05 -0.03 -0.02 0.00 -0.00 0.00 0.00 64.86 64.86 1xdx h ILE 22 Cb 0.40 0.79 0.00 0.00 -0.00 0.00 0.00 36.82 38.02 1xdx h ILE 22 CO -0.16 0.01 -0.21 0.11 -0.00 0.00 0.00 178.15 177.89 1xdx h LYS 23 N -0.33 -0.57 -0.89 2.19 1.57 -1.31 -1.44 116.57 115.79 1xdx h LYS 23 Ca -0.03 0.04 0.19 0.00 -1.87 0.00 0.00 60.65 58.98 1xdx h LYS 23 Cb 0.25 0.13 -0.07 0.00 0.08 0.00 0.00 32.23 32.63 1xdx h LYS 23 CO 0.05 -0.36 0.59 0.93 -0.57 0.00 0.00 179.45 180.09 1xdx h GLU 24 N -0.62 0.43 -0.28 3.15 4.39 0.10 0.39 114.58 122.15 1xdx h GLU 24 Ca -0.06 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.60 1xdx h GLU 24 Cb 0.47 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 1xdx h GLU 24 CO 0.10 0.28 0.11 0.77 -1.16 0.00 0.00 179.01 179.12 1xdx h SER 25 N 0.44 0.39 -0.55 1.42 0.02 0.87 -2.61 113.55 113.53 1xdx h SER 25 Ca 0.46 -0.16 0.03 0.00 -0.84 0.00 0.00 61.79 61.28 1xdx h SER 25 Cb 1.09 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 63.49 1xdx h SER 25 CO -0.18 0.44 0.31 0.40 -1.14 0.00 0.00 176.83 176.66 1xdx h ILE 26 N 0.30 1.02 -0.94 3.27 5.03 0.07 1.26 117.51 127.52 1xdx h ILE 26 Ca 0.09 -0.21 0.22 0.00 -0.12 0.00 0.00 64.86 64.84 1xdx h ILE 26 Cb 0.18 0.36 -0.07 0.00 -3.03 0.00 0.00 36.82 34.25 1xdx h ILE 26 CO -0.01 0.11 0.62 -0.78 -0.68 0.00 0.00 178.15 177.41 1xdx h ASP 27 N 0.61 0.44 0.09 1.72 1.82 -1.12 0.71 116.42 120.68 1xdx h ASP 27 Ca 0.23 0.05 -0.32 0.00 -0.39 0.00 0.00 57.03 56.60 1xdx h ASP 27 Cb 0.07 -0.03 -0.02 0.00 0.68 0.00 0.00 39.33 40.04 1xdx h ASP 27 CO -0.12 0.16 -1.75 0.00 -1.61 0.00 0.00 179.24 175.92 1xdx n ALA 28 N -2.50 0.84 0.79 -0.78 0.00 -0.32 -1.45 120.51 117.09 1xdx n ALA 28 Ca 0.21 -0.55 0.08 0.00 0.00 0.00 0.00 53.44 53.19 1xdx n ALA 28 Cb 0.73 -0.65 0.43 0.00 0.00 0.00 0.00 19.45 19.96 1xdx n ALA 28 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1xdx n VAL 29 N -3.81 0.53 0.00 0.00 0.31 0.42 -1.39 118.33 114.39 1xdx n VAL 29 Ca -0.32 0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 1xdx n VAL 29 Cb 0.93 -0.85 0.00 0.00 -0.91 0.00 0.00 33.84 33.01 1xdx n VAL 29 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1xdx n LEU 30 N -1.31 2.11 0.19 7.52 7.99 0.24 -4.68 117.00 129.06 1xdx n LEU 30 Ca 0.08 0.00 0.07 0.00 -0.01 0.00 0.00 56.01 56.15 1xdx n LEU 30 Cb 0.14 0.00 0.26 0.00 -0.11 0.00 0.00 43.42 43.72 1xdx n LEU 30 CO 0.14 0.35 0.67 -0.61 -1.51 0.00 0.00 177.39 176.43 1xdx h GLN 31 N 0.00 0.00 -1.60 3.23 4.15 -1.30 -3.25 115.11 116.34 1xdx h GLN 31 Ca 0.00 0.00 0.46 0.00 0.77 0.00 0.00 58.65 59.88 1xdx h GLN 31 Cb 0.83 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 28.46 1xdx h GLN 31 CO 0.00 0.32 1.15 -2.95 -1.93 0.00 0.00 178.83 175.42 1xdx h ASN 32 N 0.00 0.01 -1.11 -0.69 -1.07 -1.39 -3.42 115.58 107.90 1xdx h ASN 32 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 1xdx h ASN 32 Cb 1.02 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.27 1xdx h ASN 32 CO 0.04 -0.00 0.00 1.67 0.07 0.00 0.00 177.43 179.21 1xdx n GLN 33 N -4.06 0.00 -1.97 4.14 -0.06 -1.23 -5.13 117.38 109.07 1xdx n GLN 33 Ca 0.35 0.00 -0.30 0.00 -2.00 0.00 0.00 57.00 55.06 1xdx n GLN 33 Cb 1.65 0.00 0.19 0.00 -4.06 0.00 0.00 30.24 28.02 1xdx n GLN 33 CO 0.00 0.00 0.00 -1.14 -0.20 0.00 0.00 177.06 175.72 1xdx s GLN 34 N -0.79 0.54 -0.43 3.69 2.00 -1.26 -4.97 119.66 118.43 1xdx s GLN 34 Ca 0.00 -0.51 -0.23 0.00 -2.00 0.00 0.00 55.36 52.62 1xdx s GLN 34 Cb 0.00 -1.86 0.02 0.00 0.80 0.00 0.00 33.01 31.97 1xdx s GLN 34 CO 0.00 -2.46 0.77 -0.47 -0.50 0.00 0.00 175.29 172.63 1xdx s TYR 35 N -3.89 3.02 -0.05 1.67 5.04 -1.26 -4.98 117.35 116.90 1xdx s TYR 35 Ca 0.75 0.22 0.01 0.00 -2.44 0.00 0.00 57.07 55.61 1xdx s TYR 35 Cb -0.03 -3.59 0.02 0.00 0.35 0.00 0.00 41.96 38.71 1xdx s TYR 35 CO 0.53 -0.93 -0.06 -1.12 -1.34 0.00 0.00 175.55 172.63 1xdx s SER 36 N 2.07 1.16 0.27 4.32 0.01 -1.26 -5.03 113.70 115.25 1xdx s SER 36 Ca 0.30 -0.16 -0.04 0.00 1.31 0.00 0.00 55.95 57.35 1xdx s SER 36 Cb -0.12 -0.53 0.35 0.00 0.21 0.00 0.00 66.02 65.92 1xdx s SER 36 CO 0.21 -0.04 1.95 -0.08 0.41 0.00 0.00 173.24 175.69 1xdx h GLU 37 N 7.21 1.22 -0.36 12.44 4.57 -1.98 0.45 114.58 138.13 1xdx h GLU 37 Ca -0.36 -0.07 0.10 0.00 -1.18 0.00 0.00 59.36 57.85 1xdx h GLU 37 Cb 1.16 -0.27 -0.02 0.00 -0.16 0.00 0.00 28.75 29.46 1xdx h GLU 37 CO 0.46 0.81 0.25 0.00 -1.18 0.00 0.00 179.01 179.35 1xdx h ALA 38 N 1.42 2.29 0.00 2.92 0.00 -2.02 -0.61 119.26 123.26 1xdx h ALA 38 Ca 0.34 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1xdx h ALA 38 Cb -0.14 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1xdx h ALA 38 CO -0.07 -0.38 -1.67 1.63 0.00 0.00 0.00 179.25 178.75 1xdx n LYS 39 N -4.44 0.56 -0.09 0.00 4.01 -0.44 -4.03 118.16 113.73 1xdx n LYS 39 Ca 0.05 -0.12 0.26 0.00 -0.51 0.00 0.00 58.31 58.00 1xdx n LYS 39 Cb 0.41 -1.57 0.69 0.00 -0.51 0.00 0.00 35.03 34.04 1xdx n LYS 39 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 1xdx h VAL 40 N 0.00 0.31 0.00 -0.18 2.07 0.15 0.97 116.25 119.57 1xdx h VAL 40 Ca 0.00 0.00 -0.32 0.00 0.82 0.00 0.00 66.70 67.20 1xdx h VAL 40 Cb 0.93 0.45 -0.06 0.00 -1.52 0.00 0.00 31.29 31.10 1xdx h VAL 40 CO 0.00 0.00 -2.20 -1.54 0.02 0.00 0.00 177.57 173.85 1xdx n SER 41 N -3.77 1.92 0.06 0.57 3.41 -1.24 -4.30 113.62 110.26 1xdx n SER 41 Ca 0.16 -0.08 -0.03 0.00 -0.26 0.00 0.00 58.87 58.65 1xdx n SER 41 Cb 0.98 0.02 0.20 0.00 -0.26 0.00 0.00 64.21 65.15 1xdx n SER 41 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1xdx h GLN 42 N 0.00 0.35 0.20 4.33 7.50 -1.34 -3.09 115.11 123.05 1xdx h GLN 42 Ca -0.47 -0.16 -0.01 0.00 0.50 0.00 0.00 58.65 58.51 1xdx h GLN 42 Cb 1.83 -0.01 0.00 0.00 0.05 0.00 0.00 27.48 29.35 1xdx h GLN 42 CO -0.05 0.68 -0.10 -1.49 -1.50 0.00 0.00 178.83 176.37 1xdx h TRP 43 N 0.29 -0.25 -0.36 2.96 -0.00 0.69 -2.06 115.95 117.23 1xdx h TRP 43 Ca 0.03 -0.01 0.11 0.00 -0.00 0.00 0.00 58.89 59.02 1xdx h TRP 43 Cb 0.80 0.08 -0.01 0.00 -0.00 0.00 0.00 29.16 30.03 1xdx h TRP 43 CO 0.02 -0.06 0.38 0.00 -0.00 0.00 0.00 178.44 178.78 1xdx h THR 44 N -0.41 0.43 -0.37 1.49 1.03 -1.73 1.14 112.91 114.50 1xdx h THR 44 Ca -0.03 0.00 -0.16 0.00 -0.01 0.00 0.00 66.41 66.21 1xdx h THR 44 Cb 0.31 0.70 -0.01 0.00 -1.07 0.00 0.00 68.15 68.09 1xdx h THR 44 CO 0.05 0.00 -0.39 0.28 -0.01 0.00 0.00 175.52 175.44 1xdx h SER 45 N 0.00 0.96 -0.26 0.00 0.02 -1.31 0.14 113.55 113.10 1xdx h SER 45 Ca 0.17 -0.44 -0.08 0.00 -0.84 0.00 0.00 61.79 60.60 1xdx h SER 45 Cb 0.92 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 63.17 1xdx h SER 45 CO -0.00 1.23 -0.09 0.28 -1.14 0.00 0.00 176.83 177.11 1xdx h SER 46 N 0.73 0.63 -0.77 3.07 0.02 0.17 -0.09 113.55 117.31 1xdx h SER 46 Ca 0.06 -0.17 -0.02 0.00 -0.84 0.00 0.00 61.79 60.82 1xdx h SER 46 Cb 0.98 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 63.32 1xdx h SER 46 CO 0.10 0.75 0.41 0.00 -1.14 0.00 0.00 176.83 176.95 1xdx h LEU 48 N 1.06 0.78 -0.27 0.00 4.07 0.31 0.93 115.31 122.18 1xdx h LEU 48 Ca 0.27 -0.10 -0.20 0.00 0.08 0.00 0.00 57.88 57.93 1xdx h LEU 48 Cb 0.05 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.58 1xdx h LEU 48 CO -0.04 0.70 -0.88 -0.08 -1.08 0.00 0.00 178.44 177.06 1xdx h GLU 49 N 0.84 0.16 -0.01 1.13 4.81 0.00 -0.88 114.58 120.64 1xdx h GLU 49 Ca 0.20 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1xdx h GLU 49 Cb 0.18 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.61 1xdx h GLU 49 CO -0.02 0.94 -0.00 0.72 -0.73 0.00 0.00 179.01 179.92 1xdx n HIS 50 N -3.63 0.00 -0.11 0.92 8.25 0.24 -1.51 115.22 119.38 1xdx n HIS 50 Ca -0.03 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.23 1xdx n HIS 50 Cb 0.81 -0.01 -0.09 0.00 1.12 0.00 0.00 29.99 31.83 1xdx n HIS 50 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1xdx h ILE 52 N -0.43 1.29 0.00 0.00 -0.00 -1.23 -2.02 117.51 115.13 1xdx h ILE 52 Ca -0.54 -1.50 -0.11 0.00 -0.00 0.00 0.00 64.86 62.72 1xdx h ILE 52 Cb 1.62 1.53 -0.02 0.00 -0.00 0.00 0.00 36.82 39.95 1xdx h ILE 52 CO -0.22 0.47 -0.54 0.11 -0.00 0.00 0.00 178.15 177.97 1xdx h LYS 53 N 0.41 0.00 0.02 2.19 6.56 -1.49 -2.15 116.57 122.12 1xdx h LYS 53 Ca 0.04 0.00 -0.07 0.00 -1.06 0.00 0.00 60.65 59.57 1xdx h LYS 53 Cb 0.84 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 32.50 1xdx h LYS 53 CO 0.07 0.54 -0.28 -0.09 -2.06 0.00 0.00 179.45 177.63 1xdx h ARG 54 N 0.00 0.15 0.35 3.15 9.65 -1.63 -1.52 114.38 124.53 1xdx h ARG 54 Ca -0.01 -0.19 -0.02 0.00 -1.10 0.00 0.00 59.98 58.67 1xdx h ARG 54 Cb 1.26 0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.90 1xdx h ARG 54 CO 0.07 0.98 -0.17 -0.07 2.80 0.00 0.00 179.97 183.59 1xdx h LEU 55 N -0.60 -0.40 -2.24 3.80 3.38 -1.44 -0.83 115.31 116.98 1xdx h LEU 55 Ca -0.04 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1xdx h LEU 55 Cb 1.10 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.95 1xdx h LEU 55 CO 0.05 -0.14 -0.06 0.71 0.09 0.00 0.00 178.44 179.10 1xdx h THR 56 N -0.65 0.43 -0.57 0.22 1.35 -1.53 0.65 112.91 112.81 1xdx h THR 56 Ca -0.05 -0.28 -0.11 0.00 -0.55 0.00 0.00 66.41 65.42 1xdx h THR 56 Cb 0.46 1.19 -0.02 0.00 -1.73 0.00 0.00 68.15 68.06 1xdx h THR 56 CO 0.08 0.05 -0.07 0.00 -0.25 0.00 0.00 175.52 175.33 1xdx h ALA 57 N 1.94 0.77 0.00 6.62 0.00 -0.68 -2.13 119.26 125.79 1xdx h ALA 57 Ca -0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1xdx h ALA 57 Cb 0.19 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1xdx h ALA 57 CO 0.01 0.67 -0.22 1.28 0.00 0.00 0.00 179.25 180.98 1xdx n LEU 58 N -4.16 0.34 -2.94 0.00 7.99 0.38 -5.02 117.00 113.60 1xdx n LEU 58 Ca 0.02 0.33 -0.01 0.00 -0.01 0.00 0.00 56.01 56.34 1xdx n LEU 58 Cb 0.39 -0.36 -0.01 0.00 -0.11 0.00 0.00 43.42 43.33 1xdx n LEU 58 CO 0.45 0.01 -0.45 -0.46 -1.51 0.00 0.00 177.39 175.42 1xdx n ASN 59 N -1.68 -6.45 0.00 -1.43 6.94 0.20 -5.05 115.26 107.79 1xdx n ASN 59 Ca 0.06 0.96 0.00 0.00 -0.02 0.00 0.00 54.58 55.58 1xdx n ASN 59 Cb 0.36 -3.35 0.00 0.00 -2.36 0.00 0.00 39.78 34.43 1xdx n ASN 59 CO 0.00 0.00 0.00 2.29 -1.03 0.00 0.00 177.26 178.52 1xdx n LYS 60 N 1.31 0.00 0.00 -3.83 2.85 -1.25 -5.01 118.16 112.24 1xdx n LYS 60 Ca -0.05 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.21 1xdx n LYS 60 Cb 0.28 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.66 1xdx n LYS 60 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 1xdx n PRO 61 N 0.00 0.00 0.00 -1.58 -0.05 -1.26 -4.86 135.00 127.25 1xdx n PRO 61 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.45 1xdx n PRO 61 Cb 0.00 -0.19 0.00 0.00 -0.05 0.00 0.00 33.50 33.26 1xdx n PRO 61 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 175.50 176.64 1xdx n PHE 62 N -0.53 -0.22 -2.37 0.54 3.72 -1.15 -5.01 117.46 112.44 1xdx n PHE 62 Ca 0.00 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.04 1xdx n PHE 62 Cb 0.00 0.17 -0.03 0.00 -0.94 0.00 0.00 39.48 38.68 1xdx n PHE 62 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1xdx s LYS 63 N -0.34 3.30 -0.38 -1.08 2.47 -0.74 -4.93 119.74 118.03 1xdx s LYS 63 Ca 0.00 -1.30 -0.15 0.00 -1.56 0.00 0.00 55.97 52.96 1xdx s LYS 63 Cb 0.00 -5.35 0.00 0.00 -1.46 0.00 0.00 37.83 31.03 1xdx s LYS 63 CO 0.00 -2.83 0.32 -0.47 0.16 0.00 0.00 175.35 172.53 1xdx s TYR 64 N 6.97 3.22 -0.17 4.03 5.04 -1.26 -0.54 117.35 134.64 1xdx s TYR 64 Ca 0.58 -0.35 -0.04 0.00 -2.44 0.00 0.00 57.07 54.82 1xdx s TYR 64 Cb 0.00 -2.63 -0.03 0.00 0.35 0.00 0.00 41.96 39.65 1xdx s TYR 64 CO 0.03 -0.52 -0.02 0.54 -1.34 0.00 0.00 175.55 174.24 1xdx s VAL 65 N 1.84 3.97 -0.12 3.14 0.11 0.23 -4.92 120.40 124.65 1xdx s VAL 65 Ca 0.08 -0.33 0.02 0.00 -2.93 0.00 0.00 61.98 58.83 1xdx s VAL 65 Cb -0.18 -2.76 -0.00 0.00 -1.53 0.00 0.00 36.38 31.92 1xdx s VAL 65 CO 0.11 0.48 -0.20 -0.69 -3.33 0.00 0.00 175.10 171.47 1xdx s VAL 66 N 0.50 2.37 0.02 2.04 1.01 -1.26 0.95 120.40 126.02 1xdx s VAL 66 Ca -0.02 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.07 1xdx s VAL 66 Cb -0.14 -1.95 -0.02 0.00 0.00 0.00 0.00 36.38 34.28 1xdx s VAL 66 CO 0.02 0.54 -0.04 0.28 0.00 0.00 0.00 175.10 175.91 1xdx s THR 67 N 0.50 0.22 -0.09 3.92 -1.32 -0.13 -4.94 115.64 113.80 1xdx s THR 67 Ca -0.13 -0.72 -0.06 0.00 -1.21 0.00 0.00 61.69 59.58 1xdx s THR 67 Cb -0.17 -0.31 0.04 0.00 -1.51 0.00 0.00 72.50 70.55 1xdx s THR 67 CO 0.05 -0.32 0.22 0.00 -2.21 0.00 0.00 174.62 172.36 1xdx s ILE 69 N 0.86 3.55 -0.00 0.00 1.01 0.17 -4.96 121.20 121.83 1xdx s ILE 69 Ca -0.06 -0.44 -0.23 0.00 0.00 0.00 0.00 60.65 59.92 1xdx s ILE 69 Cb -0.08 -2.61 -0.05 0.00 0.01 0.00 0.00 42.46 39.73 1xdx s ILE 69 CO -0.05 0.42 0.68 0.27 0.00 0.00 0.00 174.94 176.26 1xdx s ILE 70 N 1.35 4.89 -0.32 2.92 -4.36 -1.26 -0.76 121.20 123.65 1xdx s ILE 70 Ca 0.04 1.43 0.02 0.00 -0.26 0.00 0.00 60.65 61.88 1xdx s ILE 70 Cb -0.14 -4.02 0.08 0.00 1.25 0.00 0.00 42.46 39.63 1xdx s ILE 70 CO -0.01 0.35 0.02 -0.04 0.24 0.00 0.00 174.94 175.51 1xdx s MET 71 N 0.13 1.91 0.16 0.37 -1.94 0.16 -4.96 119.30 115.12 1xdx s MET 71 Ca 0.35 -1.64 -0.31 0.00 -1.71 0.00 0.00 55.69 52.38 1xdx s MET 71 Cb -0.19 -3.18 -0.11 0.00 2.01 0.00 0.00 34.83 33.37 1xdx s MET 71 CO 0.19 -0.81 1.73 -1.14 -0.01 0.00 0.00 175.02 174.98 1xdx s GLN 72 N 1.04 4.15 0.59 2.03 0.74 -1.26 -0.95 119.66 126.01 1xdx s GLN 72 Ca 0.03 2.54 0.00 0.00 0.05 0.00 0.00 55.36 57.97 1xdx s GLN 72 Cb -0.20 -3.32 0.00 0.00 1.10 0.00 0.00 33.01 30.59 1xdx s GLN 72 CO -0.06 -0.76 0.00 1.17 -0.55 0.00 0.00 175.29 175.10 1xdx n LYS 73 N 4.73 -2.38 -0.70 1.67 3.00 -1.25 -4.36 118.16 118.88 1xdx n LYS 73 Ca 0.16 1.57 0.02 0.00 -0.00 0.00 0.00 58.31 60.06 1xdx n LYS 73 Cb 0.37 -2.91 0.20 0.00 0.00 0.00 0.00 35.03 32.70 1xdx n LYS 73 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1xdx n ASN 74 N -4.10 2.01 -0.02 3.14 0.23 -1.26 -3.90 115.26 111.37 1xdx n ASN 74 Ca 0.01 -3.87 -0.02 0.00 -0.53 0.00 0.00 54.58 50.17 1xdx n ASN 74 Cb 0.54 -0.57 -0.02 0.00 -2.08 0.00 0.00 39.78 37.65 1xdx n ASN 74 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1xdx n GLY 75 N -1.12 -0.11 3.72 4.83 0.00 -1.26 -5.02 105.19 106.23 1xdx n GLY 75 Ca 0.24 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 1xdx n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xdx s ALA 76 N -2.07 3.73 -0.41 4.61 0.00 -1.26 -4.98 121.76 121.38 1xdx s ALA 76 Ca -0.03 1.34 -0.16 0.00 0.00 0.00 0.00 51.96 53.12 1xdx s ALA 76 Cb 0.01 -3.60 0.02 0.00 0.00 0.00 0.00 23.12 19.55 1xdx s ALA 76 CO 0.11 -0.76 0.34 0.20 0.00 0.00 0.00 175.76 175.64 1xdx s GLY 77 N 0.95 1.98 -0.01 0.00 0.00 -1.26 -5.02 107.32 103.96 1xdx s GLY 77 Ca 0.67 -1.66 0.01 0.00 0.00 0.00 0.00 44.72 43.74 1xdx s GLY 77 CO 0.34 0.98 -0.03 -2.27 0.00 0.00 0.00 173.10 172.12 1xdx s LEU 78 N 1.80 1.77 -0.03 0.66 0.20 -1.26 -5.15 118.68 116.68 1xdx s LEU 78 Ca 0.07 -0.06 0.01 0.00 0.69 0.00 0.00 54.13 54.83 1xdx s LEU 78 Cb -0.18 -0.22 0.02 0.00 -0.43 0.00 0.00 46.19 45.38 1xdx s LEU 78 CO 0.11 0.01 -0.01 -1.00 -0.29 0.00 0.00 176.35 175.16 1xdx s HIS 79 N 0.23 0.37 0.19 5.38 3.76 -1.26 -5.15 115.29 118.80 1xdx s HIS 79 Ca -0.02 -0.04 -0.03 0.00 -0.15 0.00 0.00 55.06 54.83 1xdx s HIS 79 Cb -0.05 -0.41 -0.05 0.00 1.11 0.00 0.00 32.58 33.19 1xdx s HIS 79 CO -0.00 -0.11 0.40 0.99 -0.85 0.00 0.00 174.74 175.16 1xdx s THR 80 N 0.81 5.18 0.05 1.30 2.01 -1.26 -5.11 115.64 118.61 1xdx s THR 80 Ca -0.08 -0.18 0.04 0.00 0.31 0.00 0.00 61.69 61.78 1xdx s THR 80 Cb -0.12 -3.69 -0.02 0.00 0.01 0.00 0.00 72.50 68.68 1xdx s THR 80 CO -0.01 -0.10 -0.12 0.00 -0.69 0.00 0.00 174.62 173.70 1xdx s ALA 81 N -1.81 0.96 0.09 7.40 0.00 -1.26 -5.16 121.76 121.99 1xdx s ALA 81 Ca 0.40 -0.84 -0.18 0.00 0.00 0.00 0.00 51.96 51.34 1xdx s ALA 81 Cb -0.11 -0.08 0.04 0.00 0.00 0.00 0.00 23.12 22.96 1xdx s ALA 81 CO 0.28 0.13 0.42 0.00 0.00 0.00 0.00 175.76 176.59 1xdx s ALA 82 N -1.10 -1.02 -0.14 0.00 0.00 -1.26 -5.15 121.76 113.09 1xdx s ALA 82 Ca -0.03 0.17 -0.00 0.00 0.00 0.00 0.00 51.96 52.10 1xdx s ALA 82 Cb -0.09 0.53 0.03 0.00 0.00 0.00 0.00 23.12 23.59 1xdx s ALA 82 CO 0.01 -0.56 -0.07 0.45 0.00 0.00 0.00 175.76 175.59 1xdx s SER 83 N -2.40 2.49 -0.16 0.00 0.15 -1.26 -5.13 113.70 107.39 1xdx s SER 83 Ca -0.01 -0.46 -0.02 0.00 0.70 0.00 0.00 55.95 56.16 1xdx s SER 83 Cb 0.00 -0.91 -0.01 0.00 -1.71 0.00 0.00 66.02 63.39 1xdx s SER 83 CO -0.07 -0.14 -0.09 0.00 1.20 0.00 0.00 173.24 174.14 1xdx n TRP 85 N 3.96 -0.15 -3.11 0.00 -0.00 -1.26 -5.01 117.44 111.87 1xdx n TRP 85 Ca -0.18 0.00 -0.39 0.00 -0.00 0.00 0.00 57.50 56.93 1xdx n TRP 85 Cb 0.52 0.00 -0.06 0.00 -0.00 0.00 0.00 31.31 31.77 1xdx n TRP 85 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 177.69 176.11 1xdx s TRP 86 N 0.00 3.76 0.00 5.87 0.52 -1.26 -5.01 118.94 122.82 1xdx s TRP 86 Ca 0.00 1.37 0.00 0.00 0.02 0.00 0.00 56.10 57.49 1xdx s TRP 86 Cb 0.00 -2.68 0.00 0.00 -1.15 0.00 0.00 33.47 29.64 1xdx s TRP 86 CO 0.00 0.40 0.00 -3.47 0.02 0.00 0.00 176.95 173.90 1xdx n ASP 87 N 2.35 0.00 -0.10 2.95 -0.08 -1.26 -5.02 116.55 115.38 1xdx n ASP 87 Ca -0.06 0.00 0.12 0.00 -1.51 0.00 0.00 54.79 53.34 1xdx n ASP 87 Cb 0.50 0.00 0.64 0.00 2.34 0.00 0.00 41.12 44.60 1xdx n ASP 87 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1xdx n SER 88 N 0.00 0.32 -0.08 1.67 2.88 -1.26 -4.04 113.62 113.11 1xdx n SER 88 Ca 0.00 -1.34 -0.16 0.00 -1.33 0.00 0.00 58.87 56.04 1xdx n SER 88 Cb 0.00 -0.01 -0.05 0.00 -0.75 0.00 0.00 64.21 63.39 1xdx n SER 88 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1xdx n THR 89 N -0.64 1.06 -1.62 2.46 5.66 -1.26 -4.66 114.28 115.28 1xdx n THR 89 Ca 0.17 -0.14 -0.33 0.00 -3.05 0.00 0.00 64.05 60.70 1xdx n THR 89 Cb 0.13 -1.81 -0.04 0.00 -1.55 0.00 0.00 70.33 67.06 1xdx n THR 89 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1xdx n THR 90 N -3.86 4.27 -3.64 1.09 -2.24 -1.26 0.30 114.28 108.94 1xdx n THR 90 Ca -0.29 -3.33 -0.28 0.00 -2.27 0.00 0.00 64.05 57.88 1xdx n THR 90 Cb 0.66 -2.01 -0.12 0.00 -2.10 0.00 0.00 70.33 66.76 1xdx n THR 90 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1xdx s ASP 91 N 0.84 3.18 0.00 3.42 2.15 -1.26 -4.78 116.67 120.22 1xdx s ASP 91 Ca 0.60 -3.09 0.00 0.00 0.43 0.00 0.00 52.55 50.49 1xdx s ASP 91 Cb 0.26 -0.96 0.00 0.00 -0.30 0.00 0.00 42.92 41.92 1xdx s ASP 91 CO -0.12 -0.19 0.58 0.61 -0.17 0.00 0.00 175.17 175.89 1xdx n GLY 92 N 2.90 -0.06 3.62 2.66 0.00 -1.05 -4.87 105.19 108.40 1xdx n GLY 92 Ca 0.19 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.71 1xdx n GLY 92 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xdx n SER 93 N -0.17 2.98 -3.59 1.61 3.41 -1.25 -2.75 113.62 113.87 1xdx n SER 93 Ca 0.00 0.78 -0.13 0.00 -0.26 0.00 0.00 58.87 59.26 1xdx n SER 93 Cb 0.29 -1.33 -0.12 0.00 -0.26 0.00 0.00 64.21 62.79 1xdx n SER 93 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1xdx s ARG 94 N 4.76 0.21 0.22 4.33 1.81 0.32 -4.97 118.95 125.64 1xdx s ARG 94 Ca 0.98 0.69 -0.09 0.00 -1.72 0.00 0.00 55.73 55.59 1xdx s ARG 94 Cb -0.75 -0.21 -0.07 0.00 -0.45 0.00 0.00 34.95 33.47 1xdx s ARG 94 CO 0.51 -0.39 0.52 -0.08 -0.68 0.00 0.00 175.30 175.19 1xdx s THR 95 N 2.46 4.97 -0.13 0.02 -1.32 -1.26 0.49 115.64 120.87 1xdx s THR 95 Ca 0.03 0.39 -0.03 0.00 -1.21 0.00 0.00 61.69 60.87 1xdx s THR 95 Cb -0.13 -3.62 0.05 0.00 -1.51 0.00 0.00 72.50 67.29 1xdx s THR 95 CO -0.11 -0.06 0.05 -0.69 -2.21 0.00 0.00 174.62 171.60 1xdx s VAL 96 N -1.80 0.14 -0.52 5.08 1.01 0.13 -3.07 120.40 121.38 1xdx s VAL 96 Ca 0.46 -0.07 -0.27 0.00 0.00 0.00 0.00 61.98 62.10 1xdx s VAL 96 Cb -0.11 -0.58 0.03 0.00 0.00 0.00 0.00 36.38 35.72 1xdx s VAL 96 CO 0.22 -0.06 1.07 -0.60 0.00 0.00 0.00 175.10 175.73 1xdx s ARG 97 N 2.05 3.54 -0.17 2.72 6.06 -1.26 0.42 118.95 132.31 1xdx s ARG 97 Ca 0.03 0.22 -0.04 0.00 -2.50 0.00 0.00 55.73 53.43 1xdx s ARG 97 Cb -0.15 -3.97 -0.03 0.00 0.06 0.00 0.00 34.95 30.87 1xdx s ARG 97 CO -0.07 -1.46 -0.03 -0.46 -2.50 0.00 0.00 175.30 170.79 1xdx s TRP 98 N 4.35 3.02 0.26 5.12 -0.00 0.14 -4.25 118.94 127.58 1xdx s TRP 98 Ca 0.41 -0.39 0.03 0.00 -0.00 0.00 0.00 56.10 56.15 1xdx s TRP 98 Cb -0.09 -2.00 -0.05 0.00 -0.00 0.00 0.00 33.47 31.33 1xdx s TRP 98 CO 0.26 -0.13 0.03 -1.21 -0.00 0.00 0.00 176.95 175.91 1xdx s GLU 99 N 0.61 1.42 0.02 5.86 8.01 -1.19 -0.17 118.70 133.26 1xdx s GLU 99 Ca -0.02 -1.75 -0.01 0.00 0.01 0.00 0.00 54.97 53.20 1xdx s GLU 99 Cb -0.14 -0.58 -0.01 0.00 -4.31 0.00 0.00 34.13 29.09 1xdx s GLU 99 CO 0.02 -0.16 -0.03 0.27 0.01 0.00 0.00 175.26 175.37 1xdx n ASN 100 N -0.48 0.65 0.00 -0.19 6.94 -1.14 0.36 115.26 121.40 1xdx n ASN 100 Ca -0.03 0.09 0.00 0.00 -0.02 0.00 0.00 54.58 54.62 1xdx n ASN 100 Cb 0.65 -0.22 0.00 0.00 -2.36 0.00 0.00 39.78 37.85 1xdx n ASN 100 CO 0.00 0.00 0.00 2.29 -1.03 0.00 0.00 177.26 178.52 1xdx n LYS 101 N -3.33 0.00 -1.15 -3.83 -0.00 -1.26 0.09 118.16 108.68 1xdx n LYS 101 Ca -0.03 0.00 0.01 0.00 -0.00 0.00 0.00 58.31 58.29 1xdx n LYS 101 Cb 0.31 0.00 0.13 0.00 -0.00 0.00 0.00 35.03 35.47 1xdx n LYS 101 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1xdx n SER 102 N -1.76 1.97 -3.64 -5.58 2.88 -1.26 -4.98 113.62 101.25 1xdx n SER 102 Ca 0.00 -3.31 -0.05 0.00 -1.33 0.00 0.00 58.87 54.18 1xdx n SER 102 Cb 0.00 -0.45 -0.07 0.00 -0.75 0.00 0.00 64.21 62.95 1xdx n SER 102 CO 0.00 0.00 0.00 -0.32 -1.23 0.00 0.00 175.04 173.49 1xdx s MET 103 N -2.53 0.45 -0.01 -1.46 0.00 -1.26 -3.77 119.30 110.72 1xdx s MET 103 Ca 0.38 0.69 -0.00 0.00 0.00 0.00 0.00 55.69 56.76 1xdx s MET 103 Cb 0.38 0.13 -0.04 0.00 0.00 0.00 0.00 34.83 35.30 1xdx s MET 103 CO -0.08 -0.08 0.07 0.71 0.00 0.00 0.00 175.02 175.64 1xdx s TYR 104 N 1.02 3.26 -0.19 4.11 1.51 -0.12 -2.89 117.35 124.05 1xdx s TYR 104 Ca -0.05 0.19 -0.04 0.00 -1.01 0.00 0.00 57.07 56.16 1xdx s TYR 104 Cb -0.04 -1.73 0.09 0.00 -0.11 0.00 0.00 41.96 40.17 1xdx s TYR 104 CO -0.13 0.54 0.22 0.00 -1.11 0.00 0.00 175.55 175.07 1xdx s ILE 106 N 2.32 4.84 -0.32 0.00 2.07 0.06 0.28 121.20 130.45 1xdx s ILE 106 Ca 0.06 0.32 -0.07 0.00 -1.41 0.00 0.00 60.65 59.55 1xdx s ILE 106 Cb -0.15 -4.16 0.02 0.00 0.13 0.00 0.00 42.46 38.30 1xdx s ILE 106 CO -0.12 -0.49 0.11 0.00 -1.91 0.00 0.00 174.94 172.53 1xdx s THR 108 N 1.48 3.64 -0.23 0.00 -1.32 0.19 0.23 115.64 119.63 1xdx s THR 108 Ca 0.01 -0.48 -0.08 0.00 -1.21 0.00 0.00 61.69 59.93 1xdx s THR 108 Cb -0.18 -2.53 -0.04 0.00 -1.51 0.00 0.00 72.50 68.24 1xdx s THR 108 CO 0.03 0.55 0.09 -0.69 -2.21 0.00 0.00 174.62 172.40 1xdx s VAL 109 N -0.22 4.73 -0.42 5.08 1.01 0.18 -0.95 120.40 129.80 1xdx s VAL 109 Ca 0.03 -0.04 -0.06 0.00 0.00 0.00 0.00 61.98 61.91 1xdx s VAL 109 Cb -0.13 -3.19 0.10 0.00 0.00 0.00 0.00 36.38 33.16 1xdx s VAL 109 CO 0.03 0.37 0.24 -0.36 0.00 0.00 0.00 175.10 175.38 1xdx s PHE 110 N 1.15 3.47 -0.89 5.22 0.40 0.27 -0.52 117.98 127.08 1xdx s PHE 110 Ca 0.05 -2.05 -0.14 0.00 -0.60 0.00 0.00 56.93 54.18 1xdx s PHE 110 Cb -0.14 -3.18 0.21 0.00 0.51 0.00 0.00 43.02 40.42 1xdx s PHE 110 CO 0.04 -0.94 0.89 0.20 0.70 0.00 0.00 175.22 176.10 1xdx s GLY 111 N 2.09 2.61 -0.36 4.36 0.00 -1.11 0.78 107.32 115.68 1xdx s GLY 111 Ca 0.06 -3.30 -0.22 0.00 0.00 0.00 0.00 44.72 41.26 1xdx s GLY 111 CO -0.02 1.42 0.73 1.08 0.00 0.00 0.00 173.10 176.31 1xdx s LEU 112 N 0.45 4.17 0.00 0.66 1.02 0.30 -2.52 118.68 122.76 1xdx s LEU 112 Ca 0.23 0.30 0.00 0.00 0.02 0.00 0.00 54.13 54.67 1xdx s LEU 112 Cb -0.09 -2.94 0.00 0.00 0.02 0.00 0.00 46.19 43.18 1xdx s LEU 112 CO -0.09 -0.67 0.27 0.00 0.02 0.00 0.00 176.35 175.88 1xdx n ALA 113 N 6.27 0.00 -0.49 4.21 0.00 0.15 -1.80 120.51 128.85 1xdx n ALA 113 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1xdx n ALA 113 Cb 0.48 0.06 0.00 0.00 0.00 0.00 0.00 19.45 19.99 1xdx n ALA 113 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61