#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xdx n GLU 2 N 0.00 0.73 0.00 2.12 2.13 -1.26 -5.02 120.64 119.34 1xdx n GLU 2 Ca 0.00 -0.88 0.00 0.00 0.66 0.00 0.00 57.16 56.94 1xdx n GLU 2 Cb 0.00 0.38 0.00 0.00 0.27 0.00 0.00 31.44 32.09 1xdx n GLU 2 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1xdx n GLY 3 N -0.83 2.85 3.75 8.31 0.00 -1.26 -5.04 105.19 112.97 1xdx n GLY 3 Ca -0.16 -0.73 -0.41 0.00 0.00 0.00 0.00 46.02 44.72 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 2.62 -0.31 1.61 1.01 -1.26 -4.62 120.40 119.45 1xdx s VAL 4 Ca 0.00 0.53 -0.02 0.00 0.00 0.00 0.00 61.98 62.49 1xdx s VAL 4 Cb 0.00 -3.34 0.10 0.00 0.00 0.00 0.00 36.38 33.14 1xdx s VAL 4 CO 0.00 0.09 0.11 -0.62 0.00 0.00 0.00 175.10 174.68 1xdx s ASP 5 N 0.28 3.91 -0.02 3.32 -1.08 -0.28 -4.19 116.67 118.61 1xdx s ASP 5 Ca 0.58 -1.57 -0.30 0.00 -0.52 0.00 0.00 52.55 50.75 1xdx s ASP 5 Cb -0.42 -0.74 -0.08 0.00 -1.46 0.00 0.00 42.92 40.22 1xdx s ASP 5 CO 0.45 -0.42 2.00 -2.84 0.52 0.00 0.00 175.17 174.88 1xdx s PRO 6 N 1.72 3.93 0.00 4.34 0.02 -1.18 -3.78 135.00 140.06 1xdx s PRO 6 Ca 0.10 2.46 0.00 0.00 0.02 0.00 0.00 61.00 63.57 1xdx s PRO 6 Cb -0.17 -4.20 0.00 0.00 0.02 0.00 0.00 34.50 30.15 1xdx s PRO 6 CO -0.28 -1.19 0.00 0.00 -0.33 0.00 0.00 177.00 175.20 1xdx n ALA 7 N 8.39 0.00 0.00 -1.55 0.00 0.24 -4.77 120.51 122.82 1xdx n ALA 7 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1xdx n ALA 7 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 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 -3.74 0.00 0.31 -1.25 -3.95 118.33 109.70 1xdx n VAL 8 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.03 1xdx n VAL 8 Cb 0.00 0.00 -0.14 0.00 -0.91 0.00 0.00 33.84 32.79 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 1.13 0.47 5.55 0.41 -1.26 -5.11 118.70 119.88 1xdx s GLU 9 Ca 0.00 -1.71 -0.23 0.00 -0.41 0.00 0.00 54.97 52.61 1xdx s GLU 9 Cb 0.00 -2.29 -0.08 0.00 -1.78 0.00 0.00 34.13 29.98 1xdx s GLU 9 CO 0.00 -1.09 1.19 -1.91 -0.49 0.00 0.00 175.26 172.96 1xdx n GLU 10 N 3.99 1.61 -4.58 1.61 2.13 -1.26 -4.45 120.64 119.69 1xdx n GLU 10 Ca 0.05 0.58 -0.34 0.00 0.66 0.00 0.00 57.16 58.12 1xdx n GLU 10 Cb 0.37 -2.32 -0.12 0.00 0.27 0.00 0.00 31.44 29.64 1xdx n GLU 10 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1xdx s ALA 11 N -1.28 2.97 0.14 4.31 0.00 -1.26 -4.79 121.76 121.85 1xdx s ALA 11 Ca 0.66 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.75 1xdx s ALA 11 Cb -0.48 -1.30 0.00 0.00 0.00 0.00 0.00 23.12 21.33 1xdx s ALA 11 CO 0.54 0.47 0.00 0.00 0.00 0.00 0.00 175.76 176.78 1xdx n ALA 12 N 2.60 -2.43 -3.24 0.00 0.00 -1.14 -3.99 120.51 112.31 1xdx n ALA 12 Ca -0.18 0.20 -0.25 0.00 0.00 0.00 0.00 53.44 53.21 1xdx n ALA 12 Cb 0.53 -0.76 -0.06 0.00 0.00 0.00 0.00 19.45 19.15 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 -2.20 2.13 -0.99 0.00 7.35 -1.26 -4.96 117.46 117.53 1xdx n PHE 13 Ca 0.00 -3.91 -0.33 0.00 -0.76 0.00 0.00 57.45 52.45 1xdx n PHE 13 Cb 0.28 -0.47 0.13 0.00 0.35 0.00 0.00 39.48 39.78 1xdx n PHE 13 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 1xdx n VAL 14 N 0.73 1.32 -0.84 -2.13 0.31 -1.26 -4.95 118.33 111.51 1xdx n VAL 14 Ca 0.27 -0.18 -0.32 0.00 -0.01 0.00 0.00 64.34 64.10 1xdx n VAL 14 Cb 0.47 -1.04 0.15 0.00 -0.91 0.00 0.00 33.84 32.52 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 -3.45 -0.80 -0.17 3.52 0.00 -1.26 -4.62 120.51 113.73 1xdx n ALA 15 Ca 0.12 -0.48 -0.06 0.00 0.00 0.00 0.00 53.44 53.01 1xdx n ALA 15 Cb 0.51 -2.16 0.03 0.00 0.00 0.00 0.00 19.45 17.83 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 -1.51 0.55 0.08 0.00 3.04 -1.97 0.54 116.42 117.15 1xdx h ASP 16 Ca -0.44 -0.01 0.02 0.00 -3.24 0.00 0.00 57.03 53.36 1xdx h ASP 16 Cb 1.28 -0.13 -0.03 0.00 -1.04 0.00 0.00 39.33 39.42 1xdx h ASP 16 CO 0.42 0.40 -0.18 -2.24 -2.04 0.00 0.00 179.24 175.59 1xdx h ASP 17 N 0.66 -0.52 0.77 4.15 2.03 -2.00 -1.00 116.42 120.51 1xdx h ASP 17 Ca 0.20 0.06 -0.19 0.00 -0.73 0.00 0.00 57.03 56.37 1xdx h ASP 17 Cb -0.04 0.20 -0.02 0.00 -0.83 0.00 0.00 39.33 38.64 1xdx h ASP 17 CO -0.06 -0.26 -0.90 0.58 -1.03 0.00 0.00 179.24 177.56 1xdx h VAL 18 N -0.34 1.58 -0.61 4.15 2.07 -1.90 -3.10 116.25 118.09 1xdx h VAL 18 Ca 0.03 -2.90 -0.06 0.00 0.82 0.00 0.00 66.70 64.60 1xdx h VAL 18 Cb 0.37 2.60 -0.03 0.00 -1.52 0.00 0.00 31.29 32.72 1xdx h VAL 18 CO -0.12 0.83 0.16 -1.28 0.02 0.00 0.00 177.57 177.19 1xdx h SER 19 N 0.04 0.92 -0.04 0.57 0.87 0.26 -2.24 113.55 113.93 1xdx h SER 19 Ca -0.03 -0.22 -0.02 0.00 -1.23 0.00 0.00 61.79 60.29 1xdx h SER 19 Cb 1.57 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 63.29 1xdx h SER 19 CO 0.13 0.90 -0.06 -0.55 -0.53 0.00 0.00 176.83 176.73 1xdx h ASN 20 N 0.89 0.12 -0.01 6.23 7.08 -1.25 -2.61 115.58 126.02 1xdx h ASN 20 Ca 0.19 -0.52 0.03 0.00 -3.08 0.00 0.00 56.30 52.92 1xdx h ASN 20 Cb 0.33 -0.03 -0.04 0.00 -2.08 0.00 0.00 38.32 36.50 1xdx h ASN 20 CO -0.00 0.62 -0.22 0.40 -2.08 0.00 0.00 177.43 176.14 1xdx h ILE 21 N -0.38 0.48 -0.13 6.14 2.04 -1.53 0.38 117.51 124.50 1xdx h ILE 21 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.87 1xdx h ILE 21 Cb 0.59 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 1xdx h ILE 21 CO 0.01 0.00 0.08 0.16 0.00 0.00 0.00 178.15 178.41 1xdx h ILE 22 N -0.35 1.03 0.13 -0.67 3.07 -1.49 0.19 117.51 119.41 1xdx h ILE 22 Ca 0.06 -0.06 -0.01 0.00 1.55 0.00 0.00 64.86 66.41 1xdx h ILE 22 Cb 0.43 0.84 0.00 0.00 -0.27 0.00 0.00 36.82 37.82 1xdx h ILE 22 CO -0.21 0.03 -0.06 0.11 -1.05 0.00 0.00 178.15 176.97 1xdx h LYS 23 N 0.17 -0.17 -0.78 0.16 1.57 -1.24 -1.19 116.57 115.10 1xdx h LYS 23 Ca 0.05 0.01 0.13 0.00 -1.87 0.00 0.00 60.65 58.97 1xdx h LYS 23 Cb -0.01 0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.28 1xdx h LYS 23 CO -0.02 0.10 0.51 0.93 -0.57 0.00 0.00 179.45 180.41 1xdx h GLU 24 N -0.43 0.53 -0.07 3.15 5.08 -0.22 -0.39 114.58 122.24 1xdx h GLU 24 Ca -0.02 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1xdx h GLU 24 Cb 0.35 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 1xdx h GLU 24 CO 0.03 0.35 -0.03 0.77 -1.00 0.00 0.00 179.01 179.13 1xdx h SER 25 N 0.55 0.15 -0.81 1.42 0.02 -0.66 -2.80 113.55 111.43 1xdx h SER 25 Ca 0.38 -0.41 0.02 0.00 -0.84 0.00 0.00 61.79 60.93 1xdx h SER 25 Cb 0.70 -0.04 -0.04 0.00 0.14 0.00 0.00 62.40 63.15 1xdx h SER 25 CO -0.14 0.53 0.53 0.40 -1.14 0.00 0.00 176.83 177.01 1xdx h ILE 26 N -0.23 1.16 -0.99 3.27 5.03 -0.34 1.46 117.51 126.86 1xdx h ILE 26 Ca 0.02 -0.36 0.21 0.00 -0.12 0.00 0.00 64.86 64.60 1xdx h ILE 26 Cb 0.47 0.02 -0.10 0.00 -3.03 0.00 0.00 36.82 34.19 1xdx h ILE 26 CO 0.01 0.19 0.62 -0.78 -0.68 0.00 0.00 178.15 177.51 1xdx h ASP 27 N 1.05 0.67 0.12 1.72 3.58 -1.04 0.76 116.42 123.28 1xdx h ASP 27 Ca 0.31 0.09 -0.35 0.00 0.42 0.00 0.00 57.03 57.50 1xdx h ASP 27 Cb -0.05 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 40.95 1xdx h ASP 27 CO -0.09 0.22 -1.92 0.00 -2.88 0.00 0.00 179.24 174.57 1xdx h ALA 28 N 1.64 0.39 0.00 -0.78 0.00 -0.85 -1.36 119.26 118.30 1xdx h ALA 28 Ca 0.57 -1.35 0.00 0.00 0.00 0.00 0.00 54.91 54.13 1xdx h ALA 28 Cb 1.05 0.68 0.00 0.00 0.00 0.00 0.00 17.79 19.53 1xdx h ALA 28 CO -0.34 1.24 0.00 0.28 0.00 0.00 0.00 179.25 180.42 1xdx n VAL 29 N -3.57 0.78 0.00 0.00 0.31 0.48 -0.62 118.33 115.71 1xdx n VAL 29 Ca -0.31 0.20 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 1xdx n VAL 29 Cb 1.02 -0.90 0.00 0.00 -0.91 0.00 0.00 33.84 33.05 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 -1.48 1.08 0.05 7.52 7.99 0.26 -4.67 117.00 127.74 1xdx n LEU 30 Ca 0.05 0.00 0.12 0.00 -0.01 0.00 0.00 56.01 56.16 1xdx n LEU 30 Cb 0.19 0.00 0.16 0.00 -0.11 0.00 0.00 43.42 43.67 1xdx n LEU 30 CO 0.16 0.18 0.31 1.67 -1.51 0.00 0.00 177.39 178.20 1xdx n GLN 31 N -2.17 0.25 -0.42 3.23 7.27 -0.51 -4.22 117.38 120.80 1xdx n GLN 31 Ca 0.00 0.06 0.34 0.00 0.07 0.00 0.00 57.00 57.47 1xdx n GLN 31 Cb 0.50 -1.64 0.64 0.00 2.41 0.00 0.00 30.24 32.14 1xdx n GLN 31 CO 0.00 0.00 0.00 -2.95 0.07 0.00 0.00 177.06 174.18 1xdx h ASN 32 N 0.00 0.25 -0.96 1.69 7.08 -1.03 -3.44 115.58 119.17 1xdx h ASN 32 Ca 0.00 0.10 0.00 0.00 -3.08 0.00 0.00 56.30 53.32 1xdx h ASN 32 Cb 0.71 0.07 0.00 0.00 -2.08 0.00 0.00 38.32 37.02 1xdx h ASN 32 CO 0.00 -0.08 0.00 1.67 -2.08 0.00 0.00 177.43 176.94 1xdx n GLN 33 N -4.56 0.00 -1.94 4.14 -0.06 -1.26 -5.12 117.38 108.58 1xdx n GLN 33 Ca 0.33 0.00 -0.29 0.00 -2.00 0.00 0.00 57.00 55.05 1xdx n GLN 33 Cb 1.32 0.00 0.11 0.00 -4.06 0.00 0.00 30.24 27.61 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 -0.94 1.67 -0.28 3.69 0.74 -1.26 -4.96 119.66 118.31 1xdx s GLN 34 Ca 0.00 -0.06 -0.28 0.00 0.05 0.00 0.00 55.36 55.07 1xdx s GLN 34 Cb 0.00 -1.95 -0.03 0.00 1.10 0.00 0.00 33.01 32.13 1xdx s GLN 34 CO 0.00 -1.76 1.87 -0.47 -0.55 0.00 0.00 175.29 174.38 1xdx s TYR 35 N -3.62 1.69 -0.17 1.67 6.14 -1.26 -4.97 117.35 116.83 1xdx s TYR 35 Ca 0.65 0.57 0.01 0.00 0.64 0.00 0.00 57.07 58.94 1xdx s TYR 35 Cb -0.09 -4.08 0.01 0.00 0.42 0.00 0.00 41.96 38.22 1xdx s TYR 35 CO 0.50 -3.26 -0.19 -1.12 0.64 0.00 0.00 175.55 172.12 1xdx s SER 36 N 6.30 3.25 0.38 4.32 0.01 -1.26 -5.00 113.70 121.70 1xdx s SER 36 Ca 0.84 -0.60 0.09 0.00 1.31 0.00 0.00 55.95 57.58 1xdx s SER 36 Cb -0.25 -1.49 0.84 0.00 0.21 0.00 0.00 66.02 65.32 1xdx s SER 36 CO 0.34 0.04 1.95 -0.08 0.41 0.00 0.00 173.24 175.89 1xdx h GLU 37 N 7.66 0.62 0.00 12.44 4.57 -1.99 1.01 114.58 138.90 1xdx h GLU 37 Ca -0.39 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.75 1xdx h GLU 37 Cb 1.16 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.61 1xdx h GLU 37 CO 0.60 0.41 0.00 0.00 -1.18 0.00 0.00 179.01 178.84 1xdx n ALA 38 N -2.47 1.71 0.19 2.92 0.00 -1.26 -2.63 120.51 118.98 1xdx n ALA 38 Ca 0.12 0.02 0.04 0.00 0.00 0.00 0.00 53.44 53.62 1xdx n ALA 38 Cb 0.31 -1.33 -0.06 0.00 0.00 0.00 0.00 19.45 18.37 1xdx n ALA 38 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1xdx n LYS 39 N -1.93 2.02 -0.08 0.00 4.01 0.24 -4.17 118.16 118.25 1xdx n LYS 39 Ca 0.03 -0.05 0.26 0.00 -0.51 0.00 0.00 58.31 58.04 1xdx n LYS 39 Cb 0.22 -1.08 0.70 0.00 -0.51 0.00 0.00 35.03 34.36 1xdx n LYS 39 CO 0.00 0.00 0.00 -0.39 -1.11 0.00 0.00 177.40 175.90 1xdx h VAL 40 N 0.00 0.35 0.00 -0.18 -1.51 0.91 1.11 116.25 116.94 1xdx h VAL 40 Ca 0.00 0.00 -0.17 0.00 -1.23 0.00 0.00 66.70 65.30 1xdx h VAL 40 Cb 0.32 0.49 -0.03 0.00 -2.13 0.00 0.00 31.29 29.94 1xdx h VAL 40 CO 0.00 0.00 -1.63 -1.54 -1.23 0.00 0.00 177.57 173.17 1xdx n SER 41 N -3.83 3.01 0.11 4.19 3.41 -1.26 -4.53 113.62 114.72 1xdx n SER 41 Ca 0.15 -0.04 0.02 0.00 -0.26 0.00 0.00 58.87 58.75 1xdx n SER 41 Cb 0.93 0.15 0.39 0.00 -0.26 0.00 0.00 64.21 65.42 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 0.27 -0.17 4.33 1.08 -1.57 -2.90 115.11 116.15 1xdx h GLN 42 Ca -0.25 -0.06 0.02 0.00 -1.45 0.00 0.00 58.65 56.92 1xdx h GLN 42 Cb 1.45 -0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 28.80 1xdx h GLN 42 CO -0.02 0.39 -0.26 -1.49 -0.95 0.00 0.00 178.83 176.50 1xdx h TRP 43 N 0.26 -0.79 -0.38 2.96 6.55 0.10 0.19 115.95 124.84 1xdx h TRP 43 Ca 0.05 0.04 0.11 0.00 0.95 0.00 0.00 58.89 60.04 1xdx h TRP 43 Cb 0.35 0.37 -0.02 0.00 -0.86 0.00 0.00 29.16 29.00 1xdx h TRP 43 CO 0.01 -0.23 0.29 0.00 -1.05 0.00 0.00 178.44 177.45 1xdx h THR 44 N -0.20 0.76 -0.32 1.49 1.03 -1.75 0.41 112.91 114.34 1xdx h THR 44 Ca 0.03 0.00 -0.10 0.00 -0.01 0.00 0.00 66.41 66.33 1xdx h THR 44 Cb 0.28 0.80 -0.01 0.00 -1.07 0.00 0.00 68.15 68.14 1xdx h THR 44 CO -0.27 0.00 -0.21 0.77 -0.01 0.00 0.00 175.52 175.80 1xdx h SER 45 N 0.00 0.60 0.36 0.00 4.64 -0.65 0.19 113.55 118.69 1xdx h SER 45 Ca 0.18 -0.20 -0.16 0.00 -0.47 0.00 0.00 61.79 61.15 1xdx h SER 45 Cb 0.75 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.67 1xdx h SER 45 CO -0.00 0.81 -0.65 0.28 -0.87 0.00 0.00 176.83 176.40 1xdx h SER 46 N 0.53 0.31 -0.63 4.97 0.02 0.25 -1.85 113.55 117.15 1xdx h SER 46 Ca 0.08 -0.19 -0.04 0.00 -0.84 0.00 0.00 61.79 60.80 1xdx h SER 46 Cb 0.66 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 63.08 1xdx h SER 46 CO 0.05 0.88 0.24 0.00 -1.14 0.00 0.00 176.83 176.86 1xdx h LEU 48 N 0.88 0.64 0.04 0.00 4.07 -0.40 1.01 115.31 121.56 1xdx h LEU 48 Ca 0.21 -0.15 -0.28 0.00 0.08 0.00 0.00 57.88 57.74 1xdx h LEU 48 Cb 0.22 -0.17 0.02 0.00 1.08 0.00 0.00 40.66 41.81 1xdx h LEU 48 CO -0.02 0.72 -1.16 -0.08 -1.08 0.00 0.00 178.44 176.83 1xdx h GLU 49 N 0.64 0.56 0.00 1.13 4.81 -0.77 -1.98 114.58 118.97 1xdx h GLU 49 Ca 0.13 -0.71 0.00 0.00 -0.13 0.00 0.00 59.36 58.65 1xdx h GLU 49 Cb 0.42 0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.02 1xdx h GLU 49 CO 0.02 1.30 0.00 0.72 -0.73 0.00 0.00 179.01 180.32 1xdx n HIS 50 N -3.76 0.00 -0.12 0.92 8.25 0.30 -1.16 115.22 119.65 1xdx n HIS 50 Ca -0.11 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.10 1xdx n HIS 50 Cb 0.95 -0.01 -0.11 0.00 1.12 0.00 0.00 29.99 31.94 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 -0.65 1.15 -0.65 0.00 2.10 -1.29 0.15 117.51 118.32 1xdx h ILE 52 Ca -0.61 -0.45 0.09 0.00 1.08 0.00 0.00 64.86 64.97 1xdx h ILE 52 Cb 1.69 1.33 -0.04 0.00 -1.09 0.00 0.00 36.82 38.71 1xdx h ILE 52 CO -0.27 0.13 0.43 0.11 -1.08 0.00 0.00 178.15 177.47 1xdx h LYS 53 N -0.07 0.52 0.02 2.19 1.79 -1.36 0.33 116.57 119.99 1xdx h LYS 53 Ca 0.02 -0.03 -0.22 0.00 -2.18 0.00 0.00 60.65 58.24 1xdx h LYS 53 Cb 0.18 -0.12 -0.00 0.00 -1.58 0.00 0.00 32.23 30.71 1xdx h LYS 53 CO -0.00 0.34 -0.95 0.00 -1.08 0.00 0.00 179.45 177.76 1xdx h ARG 54 N 0.53 0.31 -0.06 3.15 2.47 -1.61 -2.96 114.38 116.21 1xdx h ARG 54 Ca 0.30 -0.35 -0.11 0.00 -1.26 0.00 0.00 59.98 58.56 1xdx h ARG 54 Cb 0.46 0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.87 1xdx h ARG 54 CO -0.09 1.06 -0.45 -0.07 0.56 0.00 0.00 179.97 180.97 1xdx h LEU 55 N 0.16 0.15 -0.83 3.04 3.38 0.13 -1.46 115.31 119.89 1xdx h LEU 55 Ca -0.07 -0.07 -0.12 0.00 0.09 0.00 0.00 57.88 57.71 1xdx h LEU 55 Cb 1.59 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.29 1xdx h LEU 55 CO 0.16 0.59 -0.51 0.71 0.09 0.00 0.00 178.44 179.47 1xdx h THR 56 N 0.12 1.36 -0.23 0.22 1.35 -0.44 0.47 112.91 115.76 1xdx h THR 56 Ca 0.01 -1.77 -0.13 0.00 -0.55 0.00 0.00 66.41 63.96 1xdx h THR 56 Cb 0.85 1.88 -0.00 0.00 -1.73 0.00 0.00 68.15 69.14 1xdx h THR 56 CO 0.07 0.52 -0.36 0.00 -0.25 0.00 0.00 175.52 175.49 1xdx h ALA 57 N 1.32 0.35 0.00 6.62 0.00 -1.28 -3.05 119.26 123.23 1xdx h ALA 57 Ca 0.00 -0.44 -0.11 0.00 0.00 0.00 0.00 54.91 54.37 1xdx h ALA 57 Cb 0.96 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1xdx h ALA 57 CO 0.08 0.43 -0.51 -0.07 0.00 0.00 0.00 179.25 179.17 1xdx h LEU 58 N 0.36 0.00 -3.39 0.00 4.07 -1.11 -3.48 115.31 111.75 1xdx h LEU 58 Ca 0.02 0.00 -0.35 0.00 0.08 0.00 0.00 57.88 57.63 1xdx h LEU 58 Cb 0.95 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.70 1xdx h LEU 58 CO 0.08 0.51 -1.01 -0.46 -1.08 0.00 0.00 178.44 176.49 1xdx n ASN 59 N -3.48 -5.73 -3.15 -0.43 6.94 0.16 -5.01 115.26 104.56 1xdx n ASN 59 Ca 0.00 -0.34 0.06 0.00 -0.02 0.00 0.00 54.58 54.27 1xdx n ASN 59 Cb 0.62 -2.35 -0.01 0.00 -2.36 0.00 0.00 39.78 35.68 1xdx n ASN 59 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 1xdx s LYS 60 N -3.34 0.11 0.00 -3.83 2.20 -1.26 -4.94 119.74 108.68 1xdx s LYS 60 Ca 0.21 0.17 0.00 0.00 -0.36 0.00 0.00 55.97 56.00 1xdx s LYS 60 Cb -0.03 0.09 0.00 0.00 -1.51 0.00 0.00 37.83 36.39 1xdx s LYS 60 CO 0.86 -0.13 0.00 -0.35 -0.36 0.00 0.00 175.35 175.37 1xdx n PRO 61 N 5.41 0.00 0.00 4.03 -0.04 -1.26 -5.05 135.00 138.09 1xdx n PRO 61 Ca -0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 1xdx n PRO 61 Cb 0.55 -0.22 0.00 0.00 -0.04 0.00 0.00 33.50 33.79 1xdx n PRO 61 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1xdx n PHE 62 N -0.48 -0.36 -2.11 0.54 3.01 -1.26 -5.02 117.46 111.79 1xdx n PHE 62 Ca 0.00 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.17 1xdx n PHE 62 Cb 0.00 0.38 -0.05 0.00 -0.01 0.00 0.00 39.48 39.80 1xdx n PHE 62 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1xdx s LYS 63 N -0.76 2.68 -0.37 -1.08 -0.14 -0.31 -4.90 119.74 114.87 1xdx s LYS 63 Ca 0.00 -0.31 -0.15 0.00 -1.36 0.00 0.00 55.97 54.15 1xdx s LYS 63 Cb 0.00 -5.03 0.00 0.00 -1.68 0.00 0.00 37.83 31.12 1xdx s LYS 63 CO 0.00 -3.18 0.33 0.71 -0.76 0.00 0.00 175.35 172.45 1xdx s TYR 64 N 9.38 3.21 -0.59 3.18 2.02 -1.26 0.44 117.35 133.73 1xdx s TYR 64 Ca 0.67 -0.26 -0.07 0.00 -0.37 0.00 0.00 57.07 57.03 1xdx s TYR 64 Cb -0.06 -2.65 0.15 0.00 -0.40 0.00 0.00 41.96 39.00 1xdx s TYR 64 CO 0.00 -0.50 0.45 0.54 -1.57 0.00 0.00 175.55 174.47 1xdx s VAL 65 N 1.89 4.19 -0.19 0.71 0.11 0.07 -4.98 120.40 122.21 1xdx s VAL 65 Ca 0.09 -2.41 -0.18 0.00 -2.93 0.00 0.00 61.98 56.55 1xdx s VAL 65 Cb -0.17 -3.72 -0.03 0.00 -1.53 0.00 0.00 36.38 30.92 1xdx s VAL 65 CO 0.11 -0.86 0.49 -0.69 -3.33 0.00 0.00 175.10 170.83 1xdx s VAL 66 N 0.55 5.13 0.08 2.04 1.01 -1.26 -1.21 120.40 126.74 1xdx s VAL 66 Ca 0.13 0.91 0.01 0.00 0.00 0.00 0.00 61.98 63.03 1xdx s VAL 66 Cb -0.21 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 1xdx s VAL 66 CO -0.04 0.21 -0.06 0.28 0.00 0.00 0.00 175.10 175.49 1xdx s THR 67 N 1.46 0.58 0.04 3.92 -1.32 0.23 -4.93 115.64 115.61 1xdx s THR 67 Ca 0.23 -1.71 -0.15 0.00 -1.21 0.00 0.00 61.69 58.86 1xdx s THR 67 Cb -0.15 -1.39 0.02 0.00 -1.51 0.00 0.00 72.50 69.47 1xdx s THR 67 CO 0.09 -0.78 0.34 0.00 -2.21 0.00 0.00 174.62 172.06 1xdx s ILE 69 N -2.38 0.62 0.21 0.00 1.09 0.13 -4.98 121.20 115.90 1xdx s ILE 69 Ca -0.06 -0.04 -0.14 0.00 -1.10 0.00 0.00 60.65 59.31 1xdx s ILE 69 Cb -0.01 -0.72 -0.07 0.00 -1.06 0.00 0.00 42.46 40.60 1xdx s ILE 69 CO -0.02 0.30 0.60 0.27 -0.10 0.00 0.00 174.94 175.99 1xdx s ILE 70 N 1.78 4.81 -0.44 2.92 -4.36 -1.26 -1.00 121.20 123.66 1xdx s ILE 70 Ca 0.03 0.80 0.03 0.00 -0.26 0.00 0.00 60.65 61.26 1xdx s ILE 70 Cb -0.13 -3.70 0.12 0.00 1.25 0.00 0.00 42.46 40.01 1xdx s ILE 70 CO -0.06 0.08 0.19 -0.32 0.24 0.00 0.00 174.94 175.08 1xdx s MET 71 N -2.36 1.58 0.09 0.37 1.75 0.14 -4.97 119.30 115.90 1xdx s MET 71 Ca 0.44 -2.16 -0.31 0.00 -1.25 0.00 0.00 55.69 52.41 1xdx s MET 71 Cb -0.13 -2.94 -0.07 0.00 2.84 0.00 0.00 34.83 34.53 1xdx s MET 71 CO 0.20 -1.07 1.26 -1.14 -0.65 0.00 0.00 175.02 173.62 1xdx s GLN 72 N 0.31 4.40 1.87 4.11 0.74 -1.26 -1.53 119.66 128.31 1xdx s GLN 72 Ca 0.15 1.88 0.00 0.00 0.05 0.00 0.00 55.36 57.44 1xdx s GLN 72 Cb -0.23 -3.31 0.00 0.00 1.10 0.00 0.00 33.01 30.57 1xdx s GLN 72 CO -0.04 -0.31 0.00 1.17 -0.55 0.00 0.00 175.29 175.56 1xdx n LYS 73 N 3.83 0.00 -2.52 1.67 4.81 -1.26 -4.50 118.16 120.19 1xdx n LYS 73 Ca 0.09 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.43 1xdx n LYS 73 Cb 0.45 0.00 0.03 0.00 0.02 0.00 0.00 35.03 35.53 1xdx n LYS 73 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 1xdx n ASN 74 N -3.18 2.91 -1.05 3.14 0.23 -1.26 -4.67 115.26 111.38 1xdx n ASN 74 Ca 0.00 -2.79 0.03 0.00 -0.53 0.00 0.00 54.58 51.30 1xdx n ASN 74 Cb 0.00 -0.44 0.04 0.00 -2.08 0.00 0.00 39.78 37.31 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 -0.58 1.55 2.94 4.83 0.00 -1.26 -5.07 105.19 107.59 1xdx n GLY 75 Ca 0.22 -0.69 -0.15 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.53 0.32 -0.29 4.61 0.00 -1.26 -5.13 121.76 119.48 1xdx s ALA 76 Ca 0.25 -0.17 0.01 0.00 0.00 0.00 0.00 51.96 52.05 1xdx s ALA 76 Cb 0.28 -0.08 0.07 0.00 0.00 0.00 0.00 23.12 23.38 1xdx s ALA 76 CO -0.10 0.08 -0.04 0.20 0.00 0.00 0.00 175.76 175.90 1xdx s GLY 77 N -0.12 1.75 0.00 0.00 0.00 -1.26 -5.04 107.32 102.65 1xdx s GLY 77 Ca 0.01 -1.92 0.00 0.00 0.00 0.00 0.00 44.72 42.81 1xdx s GLY 77 CO -0.00 0.71 -0.02 -2.27 0.00 0.00 0.00 173.10 171.52 1xdx s LEU 78 N 1.12 2.03 -0.04 0.66 0.20 -1.26 -5.16 118.68 116.24 1xdx s LEU 78 Ca -0.04 -0.08 -0.04 0.00 0.69 0.00 0.00 54.13 54.66 1xdx s LEU 78 Cb -0.20 -0.05 0.01 0.00 -0.43 0.00 0.00 46.19 45.53 1xdx s LEU 78 CO -0.04 -0.02 0.11 -1.00 -0.29 0.00 0.00 176.35 175.10 1xdx s HIS 79 N -0.21 -0.11 0.11 5.38 3.76 -1.26 -5.15 115.29 117.81 1xdx s HIS 79 Ca -0.02 0.28 -0.06 0.00 -0.15 0.00 0.00 55.06 55.12 1xdx s HIS 79 Cb -0.02 0.04 -0.05 0.00 1.11 0.00 0.00 32.58 33.66 1xdx s HIS 79 CO -0.00 -0.06 0.36 0.99 -0.85 0.00 0.00 174.74 175.17 1xdx s THR 80 N 0.02 5.18 0.02 1.30 2.01 -1.26 -5.11 115.64 117.81 1xdx s THR 80 Ca -0.00 0.10 0.05 0.00 0.31 0.00 0.00 61.69 62.14 1xdx s THR 80 Cb -0.01 -3.62 -0.02 0.00 0.01 0.00 0.00 72.50 68.86 1xdx s THR 80 CO 0.00 0.13 -0.14 0.00 -0.69 0.00 0.00 174.62 173.92 1xdx s ALA 81 N -1.56 1.14 -0.23 7.40 0.00 -1.26 -5.15 121.76 122.10 1xdx s ALA 81 Ca 0.38 -0.74 -0.21 0.00 0.00 0.00 0.00 51.96 51.39 1xdx s ALA 81 Cb -0.13 -0.22 0.06 0.00 0.00 0.00 0.00 23.12 22.84 1xdx s ALA 81 CO 0.23 0.24 0.62 0.00 0.00 0.00 0.00 175.76 176.85 1xdx s ALA 82 N -0.66 -1.55 -0.20 0.00 0.00 -1.26 -5.15 121.76 112.95 1xdx s ALA 82 Ca 0.03 1.78 0.01 0.00 0.00 0.00 0.00 51.96 53.77 1xdx s ALA 82 Cb -0.07 -1.03 0.02 0.00 0.00 0.00 0.00 23.12 22.04 1xdx s ALA 82 CO 0.01 -0.30 -0.16 0.45 0.00 0.00 0.00 175.76 175.76 1xdx s SER 83 N 0.39 3.52 0.04 0.00 0.15 -1.26 -5.12 113.70 111.43 1xdx s SER 83 Ca -0.00 -0.74 0.02 0.00 0.70 0.00 0.00 55.95 55.93 1xdx s SER 83 Cb -0.04 -1.53 -0.04 0.00 -1.71 0.00 0.00 66.02 62.70 1xdx s SER 83 CO 0.00 -0.04 0.03 0.00 1.20 0.00 0.00 173.24 174.43 1xdx n TRP 85 N 0.92 -2.84 -3.12 0.00 -0.00 -1.26 -5.01 117.44 106.14 1xdx n TRP 85 Ca -0.12 0.00 -0.39 0.00 -0.00 0.00 0.00 57.50 56.99 1xdx n TRP 85 Cb 0.52 0.00 -0.05 0.00 -0.00 0.00 0.00 31.31 31.78 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 -0.78 3.72 0.00 5.87 0.51 -1.26 -4.99 118.94 122.01 1xdx s TRP 86 Ca 0.00 1.32 0.00 0.00 -2.12 0.00 0.00 56.10 55.30 1xdx s TRP 86 Cb 0.00 -2.69 0.00 0.00 -0.81 0.00 0.00 33.47 29.97 1xdx s TRP 86 CO 0.00 0.34 0.00 -3.47 -0.51 0.00 0.00 176.95 173.31 1xdx n ASP 87 N 2.67 0.00 0.21 2.95 -0.08 -1.26 -5.02 116.55 116.02 1xdx n ASP 87 Ca -0.05 0.00 0.15 0.00 -1.51 0.00 0.00 54.79 53.37 1xdx n ASP 87 Cb 0.51 0.00 0.73 0.00 2.34 0.00 0.00 41.12 44.70 1xdx n ASP 87 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 1xdx h SER 88 N 0.00 0.00 0.00 1.67 4.64 -1.98 -1.95 113.55 115.93 1xdx h SER 88 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xdx h SER 88 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1xdx h SER 88 CO 0.00 0.00 0.00 1.07 -0.87 0.00 0.00 176.83 177.03 1xdx n THR 89 N -2.54 0.00 -0.79 2.95 5.66 -1.26 -3.76 114.28 114.54 1xdx n THR 89 Ca -0.01 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.79 1xdx n THR 89 Cb 0.11 -0.45 0.12 0.00 -1.55 0.00 0.00 70.33 68.56 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 -0.93 2.80 0.00 1.09 -2.24 -0.73 -0.72 114.28 113.55 1xdx n THR 90 Ca 0.20 -1.64 0.00 0.00 -2.27 0.00 0.00 64.05 60.34 1xdx n THR 90 Cb 0.09 -0.73 0.00 0.00 -2.10 0.00 0.00 70.33 67.59 1xdx n THR 90 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1xdx n ASP 91 N -0.67 0.00 0.00 3.42 2.03 -1.25 -4.04 116.55 116.04 1xdx n ASP 91 Ca 0.46 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.77 1xdx n ASP 91 Cb 1.24 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.64 1xdx n ASP 91 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xdx n GLY 92 N 0.00 0.14 1.75 0.27 0.00 -1.26 -5.02 105.19 101.07 1xdx n GLY 92 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 -8.00 -3.76 1.61 3.41 -1.26 -5.04 113.62 100.58 1xdx n SER 93 Ca 0.00 1.24 -0.16 0.00 -0.26 0.00 0.00 58.87 59.70 1xdx n SER 93 Cb 0.00 -4.72 -0.16 0.00 -0.26 0.00 0.00 64.21 59.07 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 -2.66 -0.04 0.09 4.33 1.81 -0.57 -4.99 118.95 116.93 1xdx s ARG 94 Ca 0.00 0.21 0.02 0.00 -1.72 0.00 0.00 55.73 54.24 1xdx s ARG 94 Cb 0.00 -0.28 -0.04 0.00 -0.45 0.00 0.00 34.95 34.18 1xdx s ARG 94 CO 0.00 -0.19 0.15 -0.08 -0.68 0.00 0.00 175.30 174.50 1xdx s THR 95 N 1.20 4.88 0.04 0.02 -1.32 -1.26 0.09 115.64 119.29 1xdx s THR 95 Ca -0.07 -0.67 0.05 0.00 -1.21 0.00 0.00 61.69 59.78 1xdx s THR 95 Cb -0.13 -3.39 -0.02 0.00 -1.51 0.00 0.00 72.50 67.44 1xdx s THR 95 CO -0.03 0.08 -0.15 -0.69 -2.21 0.00 0.00 174.62 171.62 1xdx s VAL 96 N -1.50 1.18 -0.27 5.08 1.01 0.99 -2.90 120.40 123.98 1xdx s VAL 96 Ca 0.32 -1.04 0.01 0.00 0.00 0.00 0.00 61.98 61.27 1xdx s VAL 96 Cb -0.12 -1.06 0.05 0.00 0.00 0.00 0.00 36.38 35.25 1xdx s VAL 96 CO 0.25 0.02 -0.08 -0.60 0.00 0.00 0.00 175.10 174.69 1xdx s ARG 97 N -1.18 2.42 -0.03 2.72 3.52 -1.26 0.58 118.95 125.73 1xdx s ARG 97 Ca 0.02 -1.24 -0.01 0.00 -0.13 0.00 0.00 55.73 54.37 1xdx s ARG 97 Cb -0.08 -2.97 -0.04 0.00 -1.56 0.00 0.00 34.95 30.30 1xdx s ARG 97 CO 0.01 -0.54 0.04 -1.58 -0.81 0.00 0.00 175.30 172.42 1xdx s TRP 98 N 1.19 3.20 -0.11 5.12 0.23 0.11 -4.39 118.94 124.29 1xdx s TRP 98 Ca -0.06 0.18 -0.09 0.00 -2.03 0.00 0.00 56.10 54.10 1xdx s TRP 98 Cb -0.19 -1.74 0.03 0.00 0.03 0.00 0.00 33.47 31.60 1xdx s TRP 98 CO -0.04 0.51 0.27 -1.21 0.96 0.00 0.00 176.95 177.44 1xdx s GLU 99 N -1.41 0.30 0.00 4.98 2.02 -1.25 0.43 118.70 123.77 1xdx s GLU 99 Ca 0.19 0.43 0.00 0.00 0.02 0.00 0.00 54.97 55.61 1xdx s GLU 99 Cb -0.12 0.09 0.00 0.00 0.10 0.00 0.00 34.13 34.20 1xdx s GLU 99 CO 0.09 -0.07 0.00 0.27 0.02 0.00 0.00 175.26 175.57 1xdx n ASN 100 N 3.26 0.00 -4.06 -0.19 6.94 -1.24 -0.59 115.26 119.38 1xdx n ASN 100 Ca -0.16 0.00 -0.43 0.00 -0.02 0.00 0.00 54.58 53.97 1xdx n ASN 100 Cb 0.57 0.00 0.01 0.00 -2.36 0.00 0.00 39.78 37.99 1xdx n ASN 100 CO 0.00 0.00 0.00 1.17 -1.03 0.00 0.00 177.26 177.40 1xdx n LYS 101 N -0.57 3.88 0.00 -3.83 0.00 -1.26 -1.12 118.16 115.25 1xdx n LYS 101 Ca 0.00 -4.05 0.00 0.00 0.00 0.00 0.00 58.31 54.26 1xdx n LYS 101 Cb 0.00 -2.75 0.00 0.00 0.00 0.00 0.00 35.03 32.28 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 3.09 0.00 -4.26 3.14 2.88 -1.26 -4.90 113.62 112.31 1xdx n SER 102 Ca 0.32 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.52 1xdx n SER 102 Cb 0.36 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 63.92 1xdx n SER 102 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1xdx n MET 103 N 0.00 -0.22 -4.40 -1.46 2.81 -1.26 -4.97 117.12 107.62 1xdx n MET 103 Ca 0.00 -0.04 -0.26 0.00 -1.81 0.00 0.00 57.70 55.60 1xdx n MET 103 Cb 0.00 -1.53 -0.10 0.00 -0.71 0.00 0.00 33.22 30.88 1xdx n MET 103 CO 0.00 0.00 0.00 0.71 1.51 0.00 0.00 175.97 178.19 1xdx s TYR 104 N -2.24 2.41 -0.28 2.03 2.02 -0.58 -3.67 117.35 117.04 1xdx s TYR 104 Ca 0.50 -0.31 -0.00 0.00 -0.37 0.00 0.00 57.07 56.89 1xdx s TYR 104 Cb -0.19 -1.13 0.14 0.00 -0.40 0.00 0.00 41.96 40.38 1xdx s TYR 104 CO 0.73 0.58 0.32 0.00 -1.57 0.00 0.00 175.55 175.61 1xdx s ILE 106 N 2.41 4.87 -0.30 0.00 2.07 -0.17 0.08 121.20 130.15 1xdx s ILE 106 Ca 0.09 0.37 -0.06 0.00 -1.41 0.00 0.00 60.65 59.65 1xdx s ILE 106 Cb -0.14 -4.12 0.02 0.00 0.13 0.00 0.00 42.46 38.35 1xdx s ILE 106 CO -0.30 -0.42 0.07 0.00 -1.91 0.00 0.00 174.94 172.38 1xdx s THR 108 N 1.44 3.75 -0.02 0.00 -1.32 0.16 -0.01 115.64 119.65 1xdx s THR 108 Ca 0.01 -1.25 0.01 0.00 -1.21 0.00 0.00 61.69 59.25 1xdx s THR 108 Cb -0.18 -2.83 0.01 0.00 -1.51 0.00 0.00 72.50 67.99 1xdx s THR 108 CO 0.02 0.01 -0.05 -0.69 -2.21 0.00 0.00 174.62 171.70 1xdx s VAL 109 N -1.49 0.44 -0.29 5.08 1.01 0.11 -0.60 120.40 124.67 1xdx s VAL 109 Ca 0.26 -0.17 0.02 0.00 0.00 0.00 0.00 61.98 62.09 1xdx s VAL 109 Cb -0.10 -0.41 0.08 0.00 0.00 0.00 0.00 36.38 35.94 1xdx s VAL 109 CO 0.18 0.16 0.01 -0.36 0.00 0.00 0.00 175.10 175.08 1xdx s PHE 110 N 0.29 2.77 -1.21 5.22 0.08 -0.35 -1.50 117.98 123.28 1xdx s PHE 110 Ca -0.03 -2.20 -0.15 0.00 0.12 0.00 0.00 56.93 54.67 1xdx s PHE 110 Cb -0.07 -2.07 0.14 0.00 -0.57 0.00 0.00 43.02 40.46 1xdx s PHE 110 CO -0.00 -0.86 1.49 0.20 -0.10 0.00 0.00 175.22 175.95 1xdx s GLY 111 N 1.26 2.20 0.01 4.36 0.00 -1.26 -0.75 107.32 113.14 1xdx s GLY 111 Ca 0.02 -3.22 -0.29 0.00 0.00 0.00 0.00 44.72 41.23 1xdx s GLY 111 CO -0.11 2.21 0.93 1.08 0.00 0.00 0.00 173.10 177.22 1xdx s LEU 112 N 2.27 4.39 -1.22 0.66 1.02 0.17 -3.97 118.68 122.00 1xdx s LEU 112 Ca 0.45 1.61 -0.20 0.00 0.02 0.00 0.00 54.13 56.01 1xdx s LEU 112 Cb -0.01 -3.49 0.01 0.00 0.02 0.00 0.00 46.19 42.72 1xdx s LEU 112 CO 0.01 -0.19 1.78 0.00 0.02 0.00 0.00 176.35 177.97 1xdx s ALA 113 N 0.75 2.71 0.00 4.21 0.00 0.10 -1.16 121.76 128.38 1xdx s ALA 113 Ca 0.49 -2.55 0.00 0.00 0.00 0.00 0.00 51.96 49.90 1xdx s ALA 113 Cb -0.21 -4.64 0.00 0.00 0.00 0.00 0.00 23.12 18.27 1xdx s ALA 113 CO 0.27 -4.01 0.00 -0.89 0.00 0.00 0.00 175.76 171.13