#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 0.26 0.00 0.03 2.12 -1.26 -4.97 118.70 114.88 1xdx s GLU 2 Ca 0.00 0.85 0.00 0.00 0.36 0.00 0.00 54.97 56.18 1xdx s GLU 2 Cb 0.00 0.06 0.00 0.00 0.26 0.00 0.00 34.13 34.45 1xdx s GLU 2 CO 0.00 -0.33 0.00 0.41 -0.54 0.00 0.00 175.26 174.80 1xdx n GLY 3 N 5.37 0.00 3.75 -1.50 0.00 -1.26 -5.14 105.19 106.42 1xdx n GLY 3 Ca -0.07 -0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.85 3.97 -0.32 1.61 1.01 -1.26 -4.92 120.40 119.63 1xdx s VAL 4 Ca 0.00 1.90 -0.02 0.00 0.00 0.00 0.00 61.98 63.86 1xdx s VAL 4 Cb 0.00 -4.21 0.12 0.00 0.00 0.00 0.00 36.38 32.29 1xdx s VAL 4 CO 0.00 0.42 0.17 -0.62 0.00 0.00 0.00 175.10 175.07 1xdx s ASP 5 N -0.84 3.26 -0.97 3.32 -1.08 0.23 -5.04 116.67 115.55 1xdx s ASP 5 Ca 0.44 -1.77 -0.08 0.00 -0.52 0.00 0.00 52.55 50.61 1xdx s ASP 5 Cb -0.27 -0.40 -0.07 0.00 -1.46 0.00 0.00 42.92 40.72 1xdx s ASP 5 CO 0.34 -0.37 2.15 -0.81 0.52 0.00 0.00 175.17 177.01 1xdx n PRO 6 N 4.60 2.16 0.00 4.34 -0.04 -1.21 -3.48 135.00 141.37 1xdx n PRO 6 Ca 0.03 -1.60 0.00 0.00 -0.04 0.00 0.00 63.50 61.90 1xdx n PRO 6 Cb 0.39 -2.56 0.00 0.00 -0.04 0.00 0.00 33.50 31.29 1xdx n PRO 6 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xdx n ALA 7 N 4.64 0.00 -0.16 0.55 0.00 0.19 -4.77 120.51 120.96 1xdx n ALA 7 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.92 1xdx n ALA 7 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.63 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 -3.59 0.00 0.31 -1.25 -2.94 118.33 110.86 1xdx n VAL 8 Ca 0.00 0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 63.94 1xdx n VAL 8 Cb 0.00 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 32.86 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 3.01 -0.17 5.55 0.41 -1.26 -5.05 118.70 121.18 1xdx s GLU 9 Ca 0.00 -2.66 -0.29 0.00 -0.41 0.00 0.00 54.97 51.60 1xdx s GLU 9 Cb 0.00 -3.98 -0.01 0.00 -1.78 0.00 0.00 34.13 28.36 1xdx s GLU 9 CO 0.00 -1.22 1.26 -2.00 -0.49 0.00 0.00 175.26 172.80 1xdx s GLU 10 N -0.26 4.23 0.32 1.61 -6.30 -1.26 -3.98 118.70 113.05 1xdx s GLU 10 Ca 0.19 1.64 0.08 0.00 -2.50 0.00 0.00 54.97 54.39 1xdx s GLU 10 Cb -0.15 -3.76 -0.04 0.00 0.00 0.00 0.00 34.13 30.18 1xdx s GLU 10 CO -0.06 -0.71 0.16 0.00 0.02 0.00 0.00 175.26 174.66 1xdx s ALA 11 N 3.51 3.53 0.02 6.30 0.00 -1.26 -4.93 121.76 128.92 1xdx s ALA 11 Ca 0.54 -1.71 0.00 0.00 0.00 0.00 0.00 51.96 50.79 1xdx s ALA 11 Cb -0.21 -0.90 0.00 0.00 0.00 0.00 0.00 23.12 22.00 1xdx s ALA 11 CO 0.14 0.09 0.00 0.00 0.00 0.00 0.00 175.76 176.00 1xdx n ALA 12 N -1.16 -2.92 -0.02 0.00 0.00 -1.16 -4.49 120.51 110.76 1xdx n ALA 12 Ca -0.04 0.04 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 1xdx n ALA 12 Cb 0.60 -0.58 -0.06 0.00 0.00 0.00 0.00 19.45 19.41 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 0.03 0.00 -3.21 0.00 -0.00 -1.26 -5.01 117.46 108.01 1xdx n PHE 13 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 57.45 57.19 1xdx n PHE 13 Cb 0.00 -0.29 -0.01 0.00 -0.00 0.00 0.00 39.48 39.18 1xdx n PHE 13 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 1xdx s VAL 14 N -2.34 5.05 -1.19 -2.13 1.01 -1.26 -4.41 120.40 115.12 1xdx s VAL 14 Ca -0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 61.98 61.74 1xdx s VAL 14 Cb 0.03 -3.83 0.00 0.00 0.00 0.00 0.00 36.38 32.58 1xdx s VAL 14 CO 0.32 -0.56 1.00 0.00 0.00 0.00 0.00 175.10 175.86 1xdx n ALA 15 N -1.67 -1.91 0.04 5.51 0.00 -1.26 -4.79 120.51 116.43 1xdx n ALA 15 Ca -0.03 -0.01 0.17 0.00 0.00 0.00 0.00 53.44 53.57 1xdx n ALA 15 Cb 0.55 -2.68 0.67 0.00 0.00 0.00 0.00 19.45 17.99 1xdx n ALA 15 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1xdx h ASP 16 N -1.94 0.03 -0.48 0.00 1.82 -1.95 -0.30 116.42 113.59 1xdx h ASP 16 Ca -0.58 0.00 0.05 0.00 -0.39 0.00 0.00 57.03 56.12 1xdx h ASP 16 Cb 1.34 -0.01 -0.05 0.00 0.68 0.00 0.00 39.33 41.29 1xdx h ASP 16 CO 0.50 0.02 0.21 -0.78 -1.61 0.00 0.00 179.24 177.57 1xdx h ASP 17 N 0.03 0.27 0.83 2.28 1.82 -1.97 -1.17 116.42 118.51 1xdx h ASP 17 Ca 0.21 0.04 -0.24 0.00 -0.39 0.00 0.00 57.03 56.65 1xdx h ASP 17 Cb 0.78 -0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.77 1xdx h ASP 17 CO -0.01 0.19 -1.16 0.58 -1.61 0.00 0.00 179.24 177.23 1xdx h VAL 18 N 0.41 1.55 -0.64 2.25 2.07 -1.63 -3.27 116.25 116.99 1xdx h VAL 18 Ca 0.22 -3.23 0.03 0.00 0.82 0.00 0.00 66.70 64.53 1xdx h VAL 18 Cb 0.17 2.83 -0.04 0.00 -1.52 0.00 0.00 31.29 32.73 1xdx h VAL 18 CO -0.18 0.91 0.39 -1.28 0.02 0.00 0.00 177.57 177.43 1xdx h SER 19 N 0.02 0.64 -0.44 0.57 0.87 -0.63 -2.42 113.55 112.16 1xdx h SER 19 Ca -0.08 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.37 1xdx h SER 19 Cb 1.86 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 63.67 1xdx h SER 19 CO 0.15 0.44 -0.16 -0.55 -0.53 0.00 0.00 176.83 176.18 1xdx h ASN 20 N 0.77 0.94 0.13 6.23 7.08 -1.33 -2.61 115.58 126.79 1xdx h ASN 20 Ca 0.26 -0.33 0.01 0.00 -3.08 0.00 0.00 56.30 53.17 1xdx h ASN 20 Cb 0.03 -0.26 -0.03 0.00 -2.08 0.00 0.00 38.32 35.99 1xdx h ASN 20 CO -0.11 1.09 -0.21 0.40 -2.08 0.00 0.00 177.43 176.52 1xdx h ILE 21 N 0.82 0.52 0.20 6.14 2.04 -1.50 0.82 117.51 126.56 1xdx h ILE 21 Ca 0.12 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.97 1xdx h ILE 21 Cb 0.71 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 37.32 1xdx h ILE 21 CO 0.05 0.00 -0.10 -0.29 0.00 0.00 0.00 178.15 177.82 1xdx h ILE 22 N -0.41 0.82 0.29 -0.67 6.09 -1.45 0.12 117.51 122.29 1xdx h ILE 22 Ca 0.02 -0.07 -0.01 0.00 -1.37 0.00 0.00 64.86 63.43 1xdx h ILE 22 Cb 0.42 0.86 -0.01 0.00 0.47 0.00 0.00 36.82 38.57 1xdx h ILE 22 CO -0.11 0.02 -0.20 0.11 -3.07 0.00 0.00 178.15 174.90 1xdx h LYS 23 N -0.31 -0.47 -0.96 2.19 1.57 -1.33 -0.58 116.57 116.68 1xdx h LYS 23 Ca -0.03 0.03 0.23 0.00 -1.87 0.00 0.00 60.65 59.02 1xdx h LYS 23 Cb 0.24 0.11 -0.07 0.00 0.08 0.00 0.00 32.23 32.58 1xdx h LYS 23 CO 0.05 -0.31 0.64 0.93 -0.57 0.00 0.00 179.45 180.18 1xdx h GLU 24 N -0.49 0.34 -0.16 3.15 4.39 0.76 0.63 114.58 123.20 1xdx h GLU 24 Ca -0.02 -0.02 -0.07 0.00 0.34 0.00 0.00 59.36 59.59 1xdx h GLU 24 Cb 0.42 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 28.99 1xdx h GLU 24 CO 0.01 0.23 -0.15 0.77 -1.16 0.00 0.00 179.01 178.70 1xdx h SER 25 N 0.36 0.42 -0.65 1.42 0.02 0.34 -3.09 113.55 112.38 1xdx h SER 25 Ca 0.51 -0.47 0.05 0.00 -0.84 0.00 0.00 61.79 61.04 1xdx h SER 25 Cb 1.37 -0.12 -0.05 0.00 0.14 0.00 0.00 62.40 63.74 1xdx h SER 25 CO -0.19 0.81 0.37 0.40 -1.14 0.00 0.00 176.83 177.07 1xdx h ILE 26 N 0.04 1.00 -0.98 3.27 5.03 0.59 1.39 117.51 127.85 1xdx h ILE 26 Ca 0.03 -0.24 0.21 0.00 -0.12 0.00 0.00 64.86 64.74 1xdx h ILE 26 Cb 0.68 0.24 -0.09 0.00 -3.03 0.00 0.00 36.82 34.62 1xdx h ILE 26 CO 0.04 0.13 0.62 -0.78 -0.68 0.00 0.00 178.15 177.48 1xdx h ASP 27 N 0.70 0.58 0.07 1.72 1.82 -1.28 0.60 116.42 120.63 1xdx h ASP 27 Ca 0.28 0.08 -0.30 0.00 -0.39 0.00 0.00 57.03 56.69 1xdx h ASP 27 Cb 0.13 -0.03 -0.03 0.00 0.68 0.00 0.00 39.33 40.09 1xdx h ASP 27 CO -0.16 0.19 -1.64 0.00 -1.61 0.00 0.00 179.24 176.03 1xdx n ALA 28 N -2.42 0.83 0.68 -0.78 0.00 -0.23 -1.51 120.51 117.07 1xdx n ALA 28 Ca 0.22 -0.54 0.07 0.00 0.00 0.00 0.00 53.44 53.20 1xdx n ALA 28 Cb 0.69 -0.62 0.37 0.00 0.00 0.00 0.00 19.45 19.88 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 -3.96 0.65 0.00 0.00 0.31 0.46 -0.99 118.33 114.80 1xdx n VAL 29 Ca -0.32 0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 1xdx n VAL 29 Cb 0.87 -0.91 0.00 0.00 -0.91 0.00 0.00 33.84 32.89 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 -1.32 2.04 0.09 7.52 7.99 0.20 -4.67 117.00 128.85 1xdx n LEU 30 Ca 0.07 0.00 0.13 0.00 -0.01 0.00 0.00 56.01 56.20 1xdx n LEU 30 Cb 0.13 0.00 0.42 0.00 -0.11 0.00 0.00 43.42 43.85 1xdx n LEU 30 CO 0.12 0.34 0.87 1.67 -1.51 0.00 0.00 177.39 178.88 1xdx n GLN 31 N -2.23 0.24 -0.66 3.23 7.27 -0.57 -3.98 117.38 120.67 1xdx n GLN 31 Ca 0.00 0.19 0.51 0.00 0.07 0.00 0.00 57.00 57.76 1xdx n GLN 31 Cb 0.43 -1.77 0.81 0.00 2.41 0.00 0.00 30.24 32.11 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 0.02 0.00 1.69 7.08 -1.23 -3.41 115.58 119.73 1xdx h ASN 32 Ca 0.00 0.01 0.00 0.00 -3.08 0.00 0.00 56.30 53.23 1xdx h ASN 32 Cb 0.71 0.01 0.00 0.00 -2.08 0.00 0.00 38.32 36.97 1xdx h ASN 32 CO 0.00 -0.02 0.00 1.67 -2.08 0.00 0.00 177.43 177.00 1xdx n GLN 33 N -4.03 0.00 -4.10 4.14 -0.06 -1.26 -5.13 117.38 106.95 1xdx n GLN 33 Ca 0.43 0.00 -0.18 0.00 -2.00 0.00 0.00 57.00 55.25 1xdx n GLN 33 Cb 1.91 0.00 -0.06 0.00 -4.06 0.00 0.00 30.24 28.03 1xdx n GLN 33 CO 0.00 0.00 0.00 0.94 -0.20 0.00 0.00 177.06 177.80 1xdx n GLN 34 N 0.00 0.46 -2.99 3.69 -0.06 -1.26 -5.12 117.38 112.10 1xdx n GLN 34 Ca 0.00 -3.10 -0.43 0.00 -2.00 0.00 0.00 57.00 51.47 1xdx n GLN 34 Cb 0.00 2.64 -0.06 0.00 -4.06 0.00 0.00 30.24 28.76 1xdx n GLN 34 CO 0.00 0.00 0.00 -0.47 -0.20 0.00 0.00 177.06 176.39 1xdx s TYR 35 N -3.22 3.02 -0.04 3.69 5.04 -1.26 -4.91 117.35 119.66 1xdx s TYR 35 Ca 0.36 0.18 0.02 0.00 -2.44 0.00 0.00 57.07 55.19 1xdx s TYR 35 Cb 0.01 -3.57 0.02 0.00 0.35 0.00 0.00 41.96 38.77 1xdx s TYR 35 CO 0.26 -0.93 -0.07 -1.12 -1.34 0.00 0.00 175.55 172.35 1xdx s SER 36 N 2.07 1.11 0.26 4.32 0.01 -1.26 -5.03 113.70 115.18 1xdx s SER 36 Ca 0.29 -0.17 -0.05 0.00 1.31 0.00 0.00 55.95 57.33 1xdx s SER 36 Cb -0.13 -0.49 0.29 0.00 0.21 0.00 0.00 66.02 65.91 1xdx s SER 36 CO 0.21 -0.01 1.90 -0.08 0.41 0.00 0.00 173.24 175.67 1xdx h GLU 37 N 6.96 1.22 -0.27 12.44 4.57 -1.98 0.61 114.58 138.13 1xdx h GLU 37 Ca -0.36 -0.11 0.05 0.00 -1.18 0.00 0.00 59.36 57.76 1xdx h GLU 37 Cb 1.16 -0.26 -0.01 0.00 -0.16 0.00 0.00 28.75 29.48 1xdx h GLU 37 CO 0.48 0.86 0.19 0.00 -1.18 0.00 0.00 179.01 179.35 1xdx h ALA 38 N 1.35 2.09 0.00 2.92 0.00 -2.02 -0.88 119.26 122.72 1xdx h ALA 38 Ca 0.32 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.19 1xdx h ALA 38 Cb -0.05 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1xdx h ALA 38 CO -0.06 -0.15 -1.44 1.63 0.00 0.00 0.00 179.25 179.23 1xdx n LYS 39 N -4.48 0.63 0.02 0.00 4.01 -0.46 -3.95 118.16 113.93 1xdx n LYS 39 Ca 0.03 0.03 0.22 0.00 -0.51 0.00 0.00 58.31 58.08 1xdx n LYS 39 Cb 0.25 -1.71 0.69 0.00 -0.51 0.00 0.00 35.03 33.76 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 0.17 0.90 116.25 119.51 1xdx h VAL 40 Ca -0.04 0.00 -0.28 0.00 0.82 0.00 0.00 66.70 67.19 1xdx h VAL 40 Cb 1.13 0.52 -0.05 0.00 -1.52 0.00 0.00 31.29 31.37 1xdx h VAL 40 CO 0.01 0.00 -2.06 -0.24 0.02 0.00 0.00 177.57 175.29 1xdx n SER 41 N -3.65 1.44 0.05 0.57 2.88 -1.24 -4.30 113.62 109.36 1xdx n SER 41 Ca 0.11 -0.02 -0.14 0.00 -1.33 0.00 0.00 58.87 57.49 1xdx n SER 41 Cb 0.81 0.67 -0.04 0.00 -0.75 0.00 0.00 64.21 64.89 1xdx n SER 41 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1xdx h GLN 42 N 0.00 0.50 0.37 -1.46 7.50 -1.30 -3.21 115.11 117.52 1xdx h GLN 42 Ca -0.42 -0.49 -0.02 0.00 0.50 0.00 0.00 58.65 58.22 1xdx h GLN 42 Cb 1.90 0.13 0.00 0.00 0.05 0.00 0.00 27.48 29.56 1xdx h GLN 42 CO 0.01 1.13 -0.18 -1.49 -1.50 0.00 0.00 178.83 176.80 1xdx h TRP 43 N 0.30 -0.46 -0.32 2.96 -0.00 0.52 -2.08 115.95 116.87 1xdx h TRP 43 Ca -0.07 -0.01 0.09 0.00 -0.00 0.00 0.00 58.89 58.90 1xdx h TRP 43 Cb 1.52 0.15 -0.01 0.00 -0.00 0.00 0.00 29.16 30.81 1xdx h TRP 43 CO 0.07 -0.24 0.37 0.00 -0.00 0.00 0.00 178.44 178.64 1xdx h THR 44 N -0.57 0.37 -0.22 1.49 1.03 -1.75 1.00 112.91 114.27 1xdx h THR 44 Ca -0.05 0.00 -0.21 0.00 -0.01 0.00 0.00 66.41 66.14 1xdx h THR 44 Cb 0.43 0.70 0.01 0.00 -1.07 0.00 0.00 68.15 68.21 1xdx h THR 44 CO 0.08 0.00 -0.68 0.28 -0.01 0.00 0.00 175.52 175.19 1xdx h SER 45 N 0.00 0.97 -0.21 0.00 0.02 -1.41 -0.92 113.55 112.00 1xdx h SER 45 Ca 0.15 -0.59 -0.08 0.00 -0.84 0.00 0.00 61.79 60.44 1xdx h SER 45 Cb 0.90 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 63.14 1xdx h SER 45 CO -0.00 1.39 -0.12 0.28 -1.14 0.00 0.00 176.83 177.24 1xdx h SER 46 N 0.61 0.59 -0.96 3.07 0.02 0.14 -1.17 113.55 115.84 1xdx h SER 46 Ca -0.02 -0.16 0.01 0.00 -0.84 0.00 0.00 61.79 60.77 1xdx h SER 46 Cb 1.30 -0.16 -0.05 0.00 0.14 0.00 0.00 62.40 63.64 1xdx h SER 46 CO 0.14 0.74 0.63 0.00 -1.14 0.00 0.00 176.83 177.21 1xdx h LEU 48 N 1.31 0.80 -0.09 0.00 4.07 -0.14 0.99 115.31 122.24 1xdx h LEU 48 Ca 0.35 -0.18 -0.24 0.00 0.08 0.00 0.00 57.88 57.89 1xdx h LEU 48 Cb -0.14 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 41.39 1xdx h LEU 48 CO -0.07 0.84 -1.03 -0.08 -1.08 0.00 0.00 178.44 177.02 1xdx h GLU 49 N 0.78 0.35 -0.01 1.13 4.81 -0.10 -1.60 114.58 119.94 1xdx h GLU 49 Ca 0.16 -0.43 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 1xdx h GLU 49 Cb 0.42 0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.94 1xdx h GLU 49 CO 0.02 1.13 0.00 0.72 -0.73 0.00 0.00 179.01 180.14 1xdx n HIS 50 N -3.67 0.01 -0.12 0.92 8.25 0.32 -1.76 115.22 119.16 1xdx n HIS 50 Ca -0.07 -0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.15 1xdx n HIS 50 Cb 0.89 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.91 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 -1.00 0.90 -0.28 0.00 2.10 -1.33 -0.35 117.51 117.54 1xdx h ILE 52 Ca -0.48 -0.06 0.03 0.00 1.08 0.00 0.00 64.86 65.43 1xdx h ILE 52 Cb 1.39 0.71 -0.01 0.00 -1.09 0.00 0.00 36.82 37.82 1xdx h ILE 52 CO -0.29 0.03 0.19 0.11 -1.08 0.00 0.00 178.15 177.11 1xdx h LYS 53 N 0.18 0.24 0.00 2.19 1.79 -1.56 0.19 116.57 119.59 1xdx h LYS 53 Ca 0.12 -0.01 -0.21 0.00 -2.18 0.00 0.00 60.65 58.36 1xdx h LYS 53 Cb 0.11 -0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 30.70 1xdx h LYS 53 CO -0.14 0.16 -0.91 0.00 -1.08 0.00 0.00 179.45 177.47 1xdx h ARG 54 N 0.25 0.32 0.00 3.15 2.47 -1.47 -2.29 114.38 116.80 1xdx h ARG 54 Ca 0.12 -0.34 -0.10 0.00 -1.26 0.00 0.00 59.98 58.40 1xdx h ARG 54 Cb 0.17 0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.57 1xdx h ARG 54 CO -0.02 1.04 -0.46 -0.07 0.56 0.00 0.00 179.97 181.01 1xdx h LEU 55 N 0.18 0.00 -0.20 3.04 3.38 0.75 -1.29 115.31 121.17 1xdx h LEU 55 Ca -0.06 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.69 1xdx h LEU 55 Cb 1.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.30 1xdx h LEU 55 CO 0.15 0.46 -0.91 0.71 0.09 0.00 0.00 178.44 178.94 1xdx h THR 56 N 0.00 1.40 -0.61 0.22 1.35 -0.66 0.19 112.91 114.79 1xdx h THR 56 Ca -0.00 -2.40 -0.09 0.00 -0.55 0.00 0.00 66.41 63.36 1xdx h THR 56 Cb 0.83 2.37 -0.02 0.00 -1.73 0.00 0.00 68.15 69.59 1xdx h THR 56 CO 0.06 0.72 0.03 0.00 -0.25 0.00 0.00 175.52 176.07 1xdx h ALA 57 N 0.76 0.82 0.01 6.62 0.00 -1.08 -2.80 119.26 123.60 1xdx h ALA 57 Ca -0.07 -0.30 -0.20 0.00 0.00 0.00 0.00 54.91 54.34 1xdx h ALA 57 Cb 1.54 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1xdx h ALA 57 CO 0.16 0.65 -0.90 -0.07 0.00 0.00 0.00 179.25 179.08 1xdx h LEU 58 N 0.97 0.19 -3.43 0.00 3.38 -1.21 -3.49 115.31 111.72 1xdx h LEU 58 Ca 0.18 -0.16 -0.37 0.00 0.09 0.00 0.00 57.88 57.61 1xdx h LEU 58 Cb 0.53 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.23 1xdx h LEU 58 CO 0.03 0.99 -0.96 -0.46 0.09 0.00 0.00 178.44 178.13 1xdx n ASN 59 N -3.60 -5.59 -3.15 -0.43 0.23 0.68 -5.00 115.26 98.39 1xdx n ASN 59 Ca -0.03 -0.53 0.06 0.00 -0.53 0.00 0.00 54.58 53.55 1xdx n ASN 59 Cb 0.83 -2.34 -0.02 0.00 -2.08 0.00 0.00 39.78 36.17 1xdx n ASN 59 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 1xdx s LYS 60 N -3.83 0.02 0.00 -3.83 2.47 -1.26 -4.89 119.74 108.42 1xdx s LYS 60 Ca 0.13 0.04 0.00 0.00 -1.56 0.00 0.00 55.97 54.58 1xdx s LYS 60 Cb -0.02 0.02 0.00 0.00 -1.46 0.00 0.00 37.83 36.37 1xdx s LYS 60 CO 0.87 -0.02 0.00 -0.35 0.16 0.00 0.00 175.35 176.00 1xdx n PRO 61 N 5.49 0.00 0.12 4.03 -0.04 -1.26 -5.03 135.00 138.31 1xdx n PRO 61 Ca -0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 1xdx n PRO 61 Cb 0.55 -0.12 0.00 0.00 -0.04 0.00 0.00 33.50 33.88 1xdx n PRO 61 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1xdx n PHE 62 N 0.00 -2.31 -2.60 0.54 7.35 -1.08 -5.05 117.46 114.30 1xdx n PHE 62 Ca 0.00 0.50 -0.43 0.00 -0.76 0.00 0.00 57.45 56.76 1xdx n PHE 62 Cb 0.00 1.04 -0.02 0.00 0.35 0.00 0.00 39.48 40.85 1xdx n PHE 62 CO 0.00 0.00 0.00 0.21 -0.76 0.00 0.00 176.76 176.21 1xdx s LYS 63 N -1.71 3.63 -0.10 -4.13 2.20 -0.99 -5.00 119.74 113.63 1xdx s LYS 63 Ca 0.00 0.42 0.03 0.00 -0.36 0.00 0.00 55.97 56.06 1xdx s LYS 63 Cb 0.00 -3.96 -0.01 0.00 -1.51 0.00 0.00 37.83 32.36 1xdx s LYS 63 CO 0.00 -1.51 -0.20 0.71 -0.36 0.00 0.00 175.35 173.99 1xdx s TYR 64 N 4.67 2.63 -0.11 4.03 2.02 -1.26 0.08 117.35 129.41 1xdx s TYR 64 Ca 0.46 -0.82 -0.01 0.00 -0.37 0.00 0.00 57.07 56.33 1xdx s TYR 64 Cb -0.07 -1.73 -0.03 0.00 -0.40 0.00 0.00 41.96 39.73 1xdx s TYR 64 CO 0.29 -0.29 -0.06 0.08 -1.57 0.00 0.00 175.55 174.01 1xdx s VAL 65 N 0.20 3.77 -0.16 0.71 1.01 0.27 -4.95 120.40 121.26 1xdx s VAL 65 Ca -0.12 -0.43 -0.02 0.00 0.00 0.00 0.00 61.98 61.41 1xdx s VAL 65 Cb -0.16 -2.59 0.05 0.00 0.00 0.00 0.00 36.38 33.67 1xdx s VAL 65 CO 0.07 0.55 0.01 -0.69 0.00 0.00 0.00 175.10 175.04 1xdx s VAL 66 N -0.29 0.61 0.01 2.92 1.01 -1.26 -0.15 120.40 123.25 1xdx s VAL 66 Ca 0.04 -0.40 0.02 0.00 0.00 0.00 0.00 61.98 61.65 1xdx s VAL 66 Cb -0.13 -0.96 -0.01 0.00 0.00 0.00 0.00 36.38 35.28 1xdx s VAL 66 CO 0.02 -0.01 -0.07 0.28 0.00 0.00 0.00 175.10 175.32 1xdx s THR 67 N 1.84 0.50 0.13 3.92 -1.32 -0.54 -4.93 115.64 115.23 1xdx s THR 67 Ca 0.01 -0.55 0.07 0.00 -1.21 0.00 0.00 61.69 60.01 1xdx s THR 67 Cb -0.15 -0.47 -0.04 0.00 -1.51 0.00 0.00 72.50 70.32 1xdx s THR 67 CO -0.07 -0.05 -0.15 0.00 -2.21 0.00 0.00 174.62 172.13 1xdx s ILE 69 N -2.05 -0.10 -0.10 0.00 1.01 0.59 -5.00 121.20 115.55 1xdx s ILE 69 Ca 0.10 0.41 -0.08 0.00 0.00 0.00 0.00 60.65 61.09 1xdx s ILE 69 Cb -0.05 -0.15 -0.04 0.00 0.01 0.00 0.00 42.46 42.22 1xdx s ILE 69 CO 0.04 0.17 0.18 0.27 0.00 0.00 0.00 174.94 175.61 1xdx s ILE 70 N 2.09 5.44 -0.18 2.92 -5.25 -1.26 -0.95 121.20 124.00 1xdx s ILE 70 Ca 0.04 0.29 0.01 0.00 -0.99 0.00 0.00 60.65 60.00 1xdx s ILE 70 Cb -0.12 -3.45 0.03 0.00 2.95 0.00 0.00 42.46 41.87 1xdx s ILE 70 CO -0.03 0.60 -0.13 -0.04 -1.79 0.00 0.00 174.94 173.55 1xdx s MET 71 N -1.07 2.26 0.71 0.37 -1.94 0.16 -5.00 119.30 114.79 1xdx s MET 71 Ca 0.17 -0.76 -0.16 0.00 -1.71 0.00 0.00 55.69 53.22 1xdx s MET 71 Cb -0.13 -2.35 0.01 0.00 2.01 0.00 0.00 34.83 34.37 1xdx s MET 71 CO 0.06 -0.34 1.07 0.94 -0.01 0.00 0.00 175.02 176.74 1xdx n GLN 72 N 4.70 0.63 -1.55 2.03 7.27 -1.26 -1.51 117.38 127.70 1xdx n GLN 72 Ca -0.16 0.27 -0.14 0.00 0.07 0.00 0.00 57.00 57.04 1xdx n GLN 72 Cb 0.48 -2.31 -0.09 0.00 2.41 0.00 0.00 30.24 30.72 1xdx n GLN 72 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 1xdx n LYS 73 N -1.98 0.44 -3.21 3.69 0.00 -1.23 -4.74 118.16 111.12 1xdx n LYS 73 Ca 0.14 -0.80 0.04 0.00 0.00 0.00 0.00 58.31 57.69 1xdx n LYS 73 Cb 0.49 -3.33 -0.02 0.00 0.00 0.00 0.00 35.03 32.17 1xdx n LYS 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1xdx s ASN 74 N 9.11 -0.48 -0.97 3.14 4.22 -1.26 -5.04 114.94 123.67 1xdx s ASN 74 Ca 0.96 0.41 -0.25 0.00 -2.14 0.00 0.00 52.86 51.84 1xdx s ASN 74 Cb -0.22 1.45 -0.12 0.00 1.28 0.00 0.00 41.25 43.64 1xdx s ASN 74 CO 0.15 -0.09 2.13 -0.83 -2.04 0.00 0.00 177.10 176.42 1xdx s GLY 75 N 2.74 -0.44 -0.04 0.45 0.00 -1.26 -4.90 107.32 103.86 1xdx s GLY 75 Ca -0.00 -1.41 0.04 0.00 0.00 0.00 0.00 44.72 43.35 1xdx s GLY 75 CO -0.13 3.92 -0.16 0.00 0.00 0.00 0.00 173.10 176.72 1xdx s ALA 76 N 13.35 2.58 -0.33 3.20 0.00 -1.26 -5.07 121.76 134.24 1xdx s ALA 76 Ca 0.79 -1.01 -0.28 0.00 0.00 0.00 0.00 51.96 51.47 1xdx s ALA 76 Cb -0.07 -0.90 -0.03 0.00 0.00 0.00 0.00 23.12 22.12 1xdx s ALA 76 CO 0.09 0.55 1.96 0.20 0.00 0.00 0.00 175.76 178.56 1xdx s GLY 77 N -0.73 0.58 -0.22 0.00 0.00 -1.26 -4.95 107.32 100.74 1xdx s GLY 77 Ca 0.11 0.32 0.01 0.00 0.00 0.00 0.00 44.72 45.17 1xdx s GLY 77 CO 0.00 3.49 -0.11 -2.27 0.00 0.00 0.00 173.10 174.21 1xdx s LEU 78 N 7.81 2.63 0.06 0.66 2.96 -1.26 -5.12 118.68 126.43 1xdx s LEU 78 Ca 0.86 -1.05 0.07 0.00 -0.22 0.00 0.00 54.13 53.80 1xdx s LEU 78 Cb -0.24 -1.34 -0.03 0.00 0.50 0.00 0.00 46.19 45.07 1xdx s LEU 78 CO 0.33 -0.15 -0.17 -1.00 -1.32 0.00 0.00 176.35 174.03 1xdx s HIS 79 N 1.30 2.58 0.15 5.38 3.76 -1.26 -5.14 115.29 122.06 1xdx s HIS 79 Ca -0.03 -0.24 0.08 0.00 -0.15 0.00 0.00 55.06 54.72 1xdx s HIS 79 Cb -0.17 -1.44 -0.04 0.00 1.11 0.00 0.00 32.58 32.04 1xdx s HIS 79 CO -0.08 0.30 -0.19 0.99 -0.85 0.00 0.00 174.74 174.92 1xdx s THR 80 N -1.00 1.80 0.02 1.30 2.01 -1.26 -5.15 115.64 113.35 1xdx s THR 80 Ca 0.16 -1.80 0.01 0.00 0.31 0.00 0.00 61.69 60.36 1xdx s THR 80 Cb -0.11 -1.76 -0.02 0.00 0.01 0.00 0.00 72.50 70.63 1xdx s THR 80 CO 0.07 -0.23 -0.04 0.00 -0.69 0.00 0.00 174.62 173.73 1xdx s ALA 81 N -1.76 0.22 -0.23 7.40 0.00 -1.26 -5.16 121.76 120.97 1xdx s ALA 81 Ca 0.13 -0.48 -0.24 0.00 0.00 0.00 0.00 51.96 51.37 1xdx s ALA 81 Cb -0.07 0.08 0.07 0.00 0.00 0.00 0.00 23.12 23.19 1xdx s ALA 81 CO 0.06 -0.08 0.68 0.00 0.00 0.00 0.00 175.76 176.42 1xdx s ALA 82 N -1.04 -1.68 -0.12 0.00 0.00 -1.26 -5.14 121.76 112.52 1xdx s ALA 82 Ca -0.10 1.84 -0.04 0.00 0.00 0.00 0.00 51.96 53.67 1xdx s ALA 82 Cb -0.07 -0.99 0.06 0.00 0.00 0.00 0.00 23.12 22.11 1xdx s ALA 82 CO -0.00 -0.33 0.17 0.45 0.00 0.00 0.00 175.76 176.05 1xdx s SER 83 N 0.19 0.96 0.25 0.00 0.15 -1.26 -5.16 113.70 108.84 1xdx s SER 83 Ca -0.01 0.18 0.09 0.00 0.70 0.00 0.00 55.95 56.91 1xdx s SER 83 Cb -0.04 0.29 -0.04 0.00 -1.71 0.00 0.00 66.02 64.51 1xdx s SER 83 CO 0.02 -0.27 -0.00 0.00 1.20 0.00 0.00 173.24 174.19 1xdx n TRP 85 N -0.78 -0.12 -3.09 0.00 -0.00 -1.26 -5.00 117.44 107.19 1xdx n TRP 85 Ca -0.07 0.00 -0.39 0.00 -0.00 0.00 0.00 57.50 57.04 1xdx n TRP 85 Cb 0.58 0.00 -0.06 0.00 -0.00 0.00 0.00 31.31 31.84 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 3.77 0.00 5.87 0.52 -1.26 -4.98 118.94 122.86 1xdx s TRP 86 Ca 0.00 1.40 0.00 0.00 0.02 0.00 0.00 56.10 57.52 1xdx s TRP 86 Cb 0.00 -2.70 0.00 0.00 -1.15 0.00 0.00 33.47 29.62 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 2.34 0.00 -0.09 2.95 -0.08 -1.26 -5.02 116.55 115.38 1xdx n ASP 87 Ca -0.06 0.00 0.11 0.00 -1.51 0.00 0.00 54.79 53.33 1xdx n ASP 87 Cb 0.50 0.00 0.59 0.00 2.34 0.00 0.00 41.12 44.55 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 0.28 -0.09 1.67 2.88 -1.26 -2.03 113.62 115.07 1xdx n SER 88 Ca 0.00 -1.39 -0.19 0.00 -1.33 0.00 0.00 58.87 55.96 1xdx n SER 88 Cb 0.00 -0.01 -0.06 0.00 -0.75 0.00 0.00 64.21 63.38 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 1.05 0.05 2.46 5.66 -1.26 -4.75 114.28 116.86 1xdx n THR 89 Ca 0.16 -0.23 -0.22 0.00 -3.05 0.00 0.00 64.05 60.71 1xdx n THR 89 Cb 0.12 -1.78 -0.15 0.00 -1.55 0.00 0.00 70.33 66.97 1xdx n THR 89 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 175.07 172.73 1xdx h THR 90 N -0.67 0.98 -2.60 1.09 1.35 -1.86 -0.76 112.91 110.44 1xdx h THR 90 Ca -0.44 -2.48 -0.53 0.00 -0.55 0.00 0.00 66.41 62.41 1xdx h THR 90 Cb 1.36 2.76 0.02 0.00 -1.73 0.00 0.00 68.15 70.57 1xdx h THR 90 CO -0.27 0.81 1.06 -0.62 -0.25 0.00 0.00 175.52 176.26 1xdx s ASP 91 N -7.21 6.55 0.08 5.36 2.15 -0.86 -3.47 116.67 119.27 1xdx s ASP 91 Ca -0.17 2.54 0.00 0.00 0.43 0.00 0.00 52.55 55.35 1xdx s ASP 91 Cb 0.05 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 40.11 1xdx s ASP 91 CO 0.83 -0.94 0.00 0.61 -0.17 0.00 0.00 175.17 175.50 1xdx n GLY 92 N 4.13 -1.18 1.87 2.66 0.00 -1.26 -4.80 105.19 106.61 1xdx n GLY 92 Ca 0.17 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.44 1xdx n GLY 92 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1xdx n SER 93 N -2.69 -7.08 -3.40 1.61 7.64 -1.26 -4.95 113.62 103.49 1xdx n SER 93 Ca 0.00 1.31 -0.13 0.00 1.01 0.00 0.00 58.87 61.06 1xdx n SER 93 Cb 0.00 -4.29 -0.10 0.00 -1.01 0.00 0.00 64.21 58.81 1xdx n SER 93 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1xdx s ARG 94 N -1.40 0.30 0.23 1.43 6.06 -0.09 -4.96 118.95 120.53 1xdx s ARG 94 Ca 0.00 0.33 -0.08 0.00 -2.50 0.00 0.00 55.73 53.48 1xdx s ARG 94 Cb 0.00 -0.73 -0.07 0.00 0.06 0.00 0.00 34.95 34.21 1xdx s ARG 94 CO 0.00 -0.71 0.53 -0.08 -2.50 0.00 0.00 175.30 172.54 1xdx s THR 95 N 2.45 4.97 -0.13 4.11 -1.32 -1.26 -0.88 115.64 123.58 1xdx s THR 95 Ca 0.10 0.35 -0.02 0.00 -1.21 0.00 0.00 61.69 60.91 1xdx s THR 95 Cb -0.15 -3.64 0.04 0.00 -1.51 0.00 0.00 72.50 67.24 1xdx s THR 95 CO -0.17 -0.11 0.02 -0.69 -2.21 0.00 0.00 174.62 171.46 1xdx s VAL 96 N -1.86 0.40 -0.52 5.08 1.01 0.14 -2.97 120.40 121.68 1xdx s VAL 96 Ca 0.46 -0.20 -0.28 0.00 0.00 0.00 0.00 61.98 61.96 1xdx s VAL 96 Cb -0.11 -0.76 0.03 0.00 0.00 0.00 0.00 36.38 35.54 1xdx s VAL 96 CO 0.23 0.00 1.11 -0.60 0.00 0.00 0.00 175.10 175.85 1xdx s ARG 97 N 1.94 3.58 -0.17 2.72 6.06 -1.26 -0.06 118.95 131.76 1xdx s ARG 97 Ca 0.02 0.31 -0.02 0.00 -2.50 0.00 0.00 55.73 53.54 1xdx s ARG 97 Cb -0.15 -3.96 -0.01 0.00 0.06 0.00 0.00 34.95 30.89 1xdx s ARG 97 CO -0.07 -1.48 -0.08 -0.46 -2.50 0.00 0.00 175.30 170.71 1xdx s TRP 98 N 4.49 2.91 0.25 5.12 -0.00 0.45 -4.21 118.94 127.95 1xdx s TRP 98 Ca 0.43 -0.75 0.06 0.00 -0.00 0.00 0.00 56.10 55.84 1xdx s TRP 98 Cb -0.08 -1.97 -0.05 0.00 -0.00 0.00 0.00 33.47 31.36 1xdx s TRP 98 CO 0.28 -0.35 -0.06 -1.21 -0.00 0.00 0.00 176.95 175.61 1xdx s GLU 99 N 0.86 1.43 0.02 5.86 2.02 -1.15 0.30 118.70 128.04 1xdx s GLU 99 Ca -0.02 -1.70 -0.01 0.00 0.02 0.00 0.00 54.97 53.25 1xdx s GLU 99 Cb -0.15 -0.98 -0.01 0.00 0.10 0.00 0.00 34.13 33.09 1xdx s GLU 99 CO 0.01 0.03 -0.03 0.27 0.02 0.00 0.00 175.26 175.56 1xdx n ASN 100 N -0.48 0.65 0.00 -0.19 6.94 -1.16 0.56 115.26 121.58 1xdx n ASN 100 Ca -0.06 0.09 0.00 0.00 -0.02 0.00 0.00 54.58 54.59 1xdx n ASN 100 Cb 0.63 -0.21 0.00 0.00 -2.36 0.00 0.00 39.78 37.84 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 -3.33 0.00 -1.36 -3.83 0.00 -1.26 -0.60 118.16 107.78 1xdx n LYS 101 Ca -0.03 0.00 -0.14 0.00 0.00 0.00 0.00 58.31 58.14 1xdx n LYS 101 Cb 0.30 0.00 0.11 0.00 0.00 0.00 0.00 35.03 35.44 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 -2.26 3.88 -3.65 3.14 2.88 -1.26 -4.99 113.62 111.36 1xdx n SER 102 Ca 0.00 -3.80 -0.02 0.00 -1.33 0.00 0.00 58.87 53.71 1xdx n SER 102 Cb 0.00 -0.51 -0.07 0.00 -0.75 0.00 0.00 64.21 62.88 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 -3.46 0.04 -0.22 -1.46 -2.45 -1.26 -3.57 119.30 106.92 1xdx s MET 103 Ca 0.48 0.05 -0.05 0.00 -1.25 0.00 0.00 55.69 54.91 1xdx s MET 103 Cb 0.41 0.02 -0.02 0.00 1.25 0.00 0.00 34.83 36.49 1xdx s MET 103 CO -0.00 -0.00 0.01 0.71 1.05 0.00 0.00 175.02 176.79 1xdx s TYR 104 N 0.08 3.03 -0.26 4.11 2.02 -0.57 -2.98 117.35 122.79 1xdx s TYR 104 Ca 0.07 -0.58 0.03 0.00 -0.37 0.00 0.00 57.07 56.21 1xdx s TYR 104 Cb -0.05 -2.14 0.06 0.00 -0.40 0.00 0.00 41.96 39.43 1xdx s TYR 104 CO -0.16 -0.37 -0.09 0.00 -1.57 0.00 0.00 175.55 173.37 1xdx s ILE 106 N 1.15 5.07 -0.16 0.00 2.07 -0.12 -0.41 121.20 128.80 1xdx s ILE 106 Ca -0.07 1.03 -0.00 0.00 -1.41 0.00 0.00 60.65 60.20 1xdx s ILE 106 Cb -0.20 -3.84 0.04 0.00 0.13 0.00 0.00 42.46 38.59 1xdx s ILE 106 CO -0.06 0.40 -0.06 0.00 -1.91 0.00 0.00 174.94 173.31 1xdx s THR 108 N 1.62 3.50 -0.08 0.00 -1.32 0.49 0.23 115.64 120.09 1xdx s THR 108 Ca 0.02 -1.14 0.00 0.00 -1.21 0.00 0.00 61.69 59.36 1xdx s THR 108 Cb -0.15 -2.62 0.02 0.00 -1.51 0.00 0.00 72.50 68.24 1xdx s THR 108 CO -0.08 0.17 -0.07 -0.69 -2.21 0.00 0.00 174.62 171.74 1xdx s VAL 109 N -1.19 0.85 -0.50 5.08 1.01 -0.06 -1.47 120.40 124.12 1xdx s VAL 109 Ca 0.21 -0.24 -0.13 0.00 0.00 0.00 0.00 61.98 61.82 1xdx s VAL 109 Cb -0.11 -0.86 0.11 0.00 0.00 0.00 0.00 36.38 35.52 1xdx s VAL 109 CO 0.13 0.32 0.41 -0.36 0.00 0.00 0.00 175.10 175.60 1xdx s PHE 110 N 1.32 3.31 -1.14 5.22 0.08 0.78 -0.91 117.98 126.63 1xdx s PHE 110 Ca -0.03 -1.42 -0.19 0.00 0.12 0.00 0.00 56.93 55.40 1xdx s PHE 110 Cb -0.14 -3.51 0.09 0.00 -0.57 0.00 0.00 43.02 38.89 1xdx s PHE 110 CO -0.03 -0.96 1.50 0.20 -0.10 0.00 0.00 175.22 175.83 1xdx s GLY 111 N 3.00 1.72 -0.15 4.36 0.00 -1.26 -0.57 107.32 114.43 1xdx s GLY 111 Ca 0.04 -2.79 -0.26 0.00 0.00 0.00 0.00 44.72 41.71 1xdx s GLY 111 CO 0.02 2.48 0.85 1.08 0.00 0.00 0.00 173.10 177.53 1xdx s LEU 112 N 3.70 4.20 0.00 0.66 1.02 0.11 -4.55 118.68 123.82 1xdx s LEU 112 Ca 0.46 1.24 0.00 0.00 0.02 0.00 0.00 54.13 55.85 1xdx s LEU 112 Cb 0.00 -3.28 0.00 0.00 0.02 0.00 0.00 46.19 42.93 1xdx s LEU 112 CO -0.02 -0.38 0.52 0.00 0.02 0.00 0.00 176.35 176.49 1xdx n ALA 113 N 5.06 -0.01 0.36 4.21 0.00 -0.29 -2.34 120.51 127.50 1xdx n ALA 113 Ca 0.05 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.53 1xdx n ALA 113 Cb 0.49 0.10 0.04 0.00 0.00 0.00 0.00 19.45 20.08 1xdx n ALA 113 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61