#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 4.04 0.00 2.12 2.12 -1.26 -4.50 118.70 121.22 1xdx s GLU 2 Ca 0.00 0.58 0.00 0.00 0.36 0.00 0.00 54.97 55.91 1xdx s GLU 2 Cb 0.00 -2.91 0.00 0.00 0.26 0.00 0.00 34.13 31.48 1xdx s GLU 2 CO 0.00 0.45 0.00 0.41 -0.54 0.00 0.00 175.26 175.58 1xdx n GLY 3 N 0.76 1.84 3.51 -1.50 0.00 -1.26 -5.10 105.19 103.44 1xdx n GLY 3 Ca -0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.00 5.23 -0.31 1.61 1.01 -1.26 -4.60 120.40 120.08 1xdx s VAL 4 Ca 0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 61.98 61.64 1xdx s VAL 4 Cb 0.00 -3.73 0.11 0.00 0.00 0.00 0.00 36.38 32.76 1xdx s VAL 4 CO 0.00 -0.06 0.16 -0.62 0.00 0.00 0.00 175.10 174.57 1xdx s ASP 5 N 1.71 3.36 -0.86 3.32 -1.08 -0.34 -5.04 116.67 117.73 1xdx s ASP 5 Ca 0.06 -1.63 -0.09 0.00 -0.52 0.00 0.00 52.55 50.38 1xdx s ASP 5 Cb -0.18 -0.39 -0.07 0.00 -1.46 0.00 0.00 42.92 40.82 1xdx s ASP 5 CO 0.10 -0.39 2.04 -0.81 0.52 0.00 0.00 175.17 176.63 1xdx n PRO 6 N 4.80 1.91 0.00 4.34 -0.04 -1.21 -3.74 135.00 141.06 1xdx n PRO 6 Ca 0.01 -1.50 0.00 0.00 -0.04 0.00 0.00 63.50 61.96 1xdx n PRO 6 Cb 0.40 -2.53 0.00 0.00 -0.04 0.00 0.00 33.50 31.34 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 4.85 0.00 -0.21 0.55 0.00 0.20 -4.72 120.51 121.19 1xdx n ALA 7 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.88 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 -3.54 0.00 0.31 -1.25 -2.93 118.33 110.93 1xdx n VAL 8 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 63.93 1xdx n VAL 8 Cb 0.00 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 32.88 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 3.34 -0.09 5.55 0.41 -1.26 -5.05 118.70 121.59 1xdx s GLU 9 Ca 0.00 -2.91 -0.30 0.00 -0.41 0.00 0.00 54.97 51.35 1xdx s GLU 9 Cb 0.00 -4.11 -0.03 0.00 -1.78 0.00 0.00 34.13 28.22 1xdx s GLU 9 CO 0.00 -1.24 1.21 -2.00 -0.49 0.00 0.00 175.26 172.73 1xdx s GLU 10 N -0.70 4.32 -0.08 1.61 -6.30 -1.25 -3.82 118.70 112.47 1xdx s GLU 10 Ca 0.23 1.65 0.01 0.00 -2.50 0.00 0.00 54.97 54.36 1xdx s GLU 10 Cb -0.12 -3.62 -0.03 0.00 0.00 0.00 0.00 34.13 30.37 1xdx s GLU 10 CO -0.09 -0.52 -0.08 0.00 0.02 0.00 0.00 175.26 174.59 1xdx s ALA 11 N 2.58 2.89 0.00 6.30 0.00 -1.26 -4.84 121.76 127.43 1xdx s ALA 11 Ca 0.55 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 51.61 1xdx s ALA 11 Cb -0.23 -1.22 0.00 0.00 0.00 0.00 0.00 23.12 21.66 1xdx s ALA 11 CO 0.19 0.49 0.00 0.00 0.00 0.00 0.00 175.76 176.44 1xdx n ALA 12 N 2.55 0.00 -1.00 0.00 0.00 -1.08 -3.58 120.51 117.40 1xdx n ALA 12 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1xdx n ALA 12 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 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 -3.79 0.00 7.35 -1.26 -4.99 117.46 114.80 1xdx n PHE 13 Ca 0.00 0.00 -0.29 0.00 -0.76 0.00 0.00 57.45 56.40 1xdx n PHE 13 Cb 0.00 0.00 -0.13 0.00 0.35 0.00 0.00 39.48 39.70 1xdx n PHE 13 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 1xdx s VAL 14 N 0.00 2.05 -0.32 -2.13 1.01 -1.26 -4.93 120.40 114.82 1xdx s VAL 14 Ca 0.00 -3.32 -0.04 0.00 0.00 0.00 0.00 61.98 58.62 1xdx s VAL 14 Cb 0.00 -2.39 0.26 0.00 0.00 0.00 0.00 36.38 34.25 1xdx s VAL 14 CO 0.00 -0.95 1.22 0.00 0.00 0.00 0.00 175.10 175.37 1xdx n ALA 15 N 2.84 -3.74 -0.13 5.51 0.00 -1.26 -5.03 120.51 118.70 1xdx n ALA 15 Ca 0.14 -0.15 -0.10 0.00 0.00 0.00 0.00 53.44 53.33 1xdx n ALA 15 Cb 0.36 -3.35 0.04 0.00 0.00 0.00 0.00 19.45 16.49 1xdx n ALA 15 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1xdx h ASP 16 N 3.37 0.93 -0.13 0.00 5.19 -1.97 0.28 116.42 124.09 1xdx h ASP 16 Ca -0.18 -0.35 0.03 0.00 -0.62 0.00 0.00 57.03 55.91 1xdx h ASP 16 Cb 1.20 -0.26 -0.03 0.00 0.18 0.00 0.00 39.33 40.43 1xdx h ASP 16 CO -0.19 1.11 -0.07 -2.24 -3.12 0.00 0.00 179.24 174.73 1xdx h ASP 17 N 0.79 -0.22 0.90 6.45 2.03 -2.00 -1.22 116.42 123.14 1xdx h ASP 17 Ca 0.10 0.05 -0.23 0.00 -0.73 0.00 0.00 57.03 56.23 1xdx h ASP 17 Cb 0.78 0.12 -0.02 0.00 -0.83 0.00 0.00 39.33 39.38 1xdx h ASP 17 CO 0.06 -0.09 -1.07 0.58 -1.03 0.00 0.00 179.24 177.69 1xdx h VAL 18 N -0.06 1.66 -0.74 4.15 2.07 -1.97 -3.23 116.25 118.14 1xdx h VAL 18 Ca 0.07 -3.33 0.02 0.00 0.82 0.00 0.00 66.70 64.29 1xdx h VAL 18 Cb 0.17 2.87 -0.04 0.00 -1.52 0.00 0.00 31.29 32.77 1xdx h VAL 18 CO -0.17 0.95 0.47 -1.28 0.02 0.00 0.00 177.57 177.57 1xdx h SER 19 N 0.02 0.79 -0.33 0.57 0.87 -0.18 -2.68 113.55 112.61 1xdx h SER 19 Ca -0.05 -0.01 -0.16 0.00 -1.23 0.00 0.00 61.79 60.35 1xdx h SER 19 Cb 1.83 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 63.60 1xdx h SER 19 CO 0.15 0.56 -0.42 -0.55 -0.53 0.00 0.00 176.83 176.04 1xdx h ASN 20 N 0.94 0.94 0.16 6.23 7.08 -1.32 -3.02 115.58 126.59 1xdx h ASN 20 Ca 0.29 -0.49 0.01 0.00 -3.08 0.00 0.00 56.30 53.03 1xdx h ASN 20 Cb -0.03 -0.27 -0.03 0.00 -2.08 0.00 0.00 38.32 35.91 1xdx h ASN 20 CO -0.09 1.24 -0.27 0.40 -2.08 0.00 0.00 177.43 176.63 1xdx h ILE 21 N 0.65 0.41 0.22 6.14 2.04 -1.51 0.54 117.51 126.01 1xdx h ILE 21 Ca 0.04 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.90 1xdx h ILE 21 Cb 1.02 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 1xdx h ILE 21 CO 0.10 0.00 -0.15 0.16 0.00 0.00 0.00 178.15 178.26 1xdx h ILE 22 N -0.51 0.68 0.16 -0.67 3.07 -1.57 0.12 117.51 118.78 1xdx h ILE 22 Ca 0.02 0.00 0.01 0.00 1.55 0.00 0.00 64.86 66.43 1xdx h ILE 22 Cb 0.52 0.68 -0.02 0.00 -0.27 0.00 0.00 36.82 37.73 1xdx h ILE 22 CO -0.13 0.00 -0.17 0.11 -1.05 0.00 0.00 178.15 176.91 1xdx h LYS 23 N -0.37 -0.35 -0.81 0.16 1.57 -1.42 -0.69 116.57 114.67 1xdx h LYS 23 Ca -0.02 0.02 0.16 0.00 -1.87 0.00 0.00 60.65 58.94 1xdx h LYS 23 Cb 0.32 0.08 -0.06 0.00 0.08 0.00 0.00 32.23 32.65 1xdx h LYS 23 CO 0.01 -0.23 0.54 0.93 -0.57 0.00 0.00 179.45 180.12 1xdx h GLU 24 N -0.36 0.46 -0.21 3.15 5.08 0.19 -0.97 114.58 121.92 1xdx h GLU 24 Ca 0.01 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 1xdx h GLU 24 Cb 0.35 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1xdx h GLU 24 CO -0.05 0.30 -0.02 1.03 -1.00 0.00 0.00 179.01 179.27 1xdx h SER 25 N 0.47 0.39 -0.76 1.42 0.87 0.38 -2.97 113.55 113.35 1xdx h SER 25 Ca 0.40 -0.33 0.04 0.00 -1.23 0.00 0.00 61.79 60.67 1xdx h SER 25 Cb 0.88 -0.10 -0.05 0.00 -0.44 0.00 0.00 62.40 62.69 1xdx h SER 25 CO -0.15 0.63 0.47 0.40 -0.53 0.00 0.00 176.83 177.65 1xdx h ILE 26 N 0.14 1.07 -0.96 2.23 5.03 0.17 1.43 117.51 126.61 1xdx h ILE 26 Ca 0.06 -0.31 0.19 0.00 -0.12 0.00 0.00 64.86 64.68 1xdx h ILE 26 Cb 0.44 0.10 -0.09 0.00 -3.03 0.00 0.00 36.82 34.24 1xdx h ILE 26 CO 0.02 0.16 0.61 -0.78 -0.68 0.00 0.00 178.15 177.48 1xdx h ASP 27 N 0.90 0.63 0.09 1.72 3.58 -1.29 0.46 116.42 122.50 1xdx h ASP 27 Ca 0.32 0.07 -0.33 0.00 0.42 0.00 0.00 57.03 57.51 1xdx h ASP 27 Cb 0.08 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.06 1xdx h ASP 27 CO -0.14 0.24 -1.77 0.00 -2.88 0.00 0.00 179.24 174.69 1xdx n ALA 28 N -2.42 0.84 0.74 -0.78 0.00 -0.21 -1.51 120.51 117.18 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 0.62 -0.65 0.41 0.00 0.00 0.00 0.00 19.45 19.82 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 -3.78 0.60 0.00 0.00 0.31 0.47 -0.85 118.33 115.08 1xdx n VAL 29 Ca -0.32 0.15 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 1xdx n VAL 29 Cb 0.94 -0.87 0.00 0.00 -0.91 0.00 0.00 33.84 33.00 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 -1.34 2.17 0.10 7.52 7.99 0.16 -4.67 117.00 128.93 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 0.15 0.00 0.34 0.00 -0.11 0.00 0.00 43.42 43.80 1xdx n LEU 30 CO 0.13 0.36 0.77 -0.61 -1.51 0.00 0.00 177.39 176.54 1xdx h GLN 31 N 0.00 0.00 -1.66 3.23 4.15 -1.31 -3.35 115.11 116.17 1xdx h GLN 31 Ca 0.00 0.00 0.48 0.00 0.77 0.00 0.00 58.65 59.90 1xdx h GLN 31 Cb 0.89 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 28.51 1xdx h GLN 31 CO 0.00 0.00 1.22 -2.95 -1.93 0.00 0.00 178.83 175.17 1xdx h ASN 32 N 0.00 0.00 0.00 -0.69 -1.07 -1.16 -3.41 115.58 109.25 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 0.76 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.01 1xdx h ASN 32 CO 0.00 0.00 0.00 1.67 0.07 0.00 0.00 177.43 179.17 1xdx n GLN 33 N -3.97 0.00 -4.23 4.14 7.27 -1.25 -5.12 117.38 114.21 1xdx n GLN 33 Ca 0.37 0.00 -0.18 0.00 0.07 0.00 0.00 57.00 57.26 1xdx n GLN 33 Cb 1.74 0.00 -0.07 0.00 2.41 0.00 0.00 30.24 34.32 1xdx n GLN 33 CO 0.00 0.00 0.00 -1.14 0.07 0.00 0.00 177.06 175.99 1xdx s GLN 34 N 0.71 1.80 -0.43 3.69 0.74 -1.26 -5.12 119.66 119.79 1xdx s GLN 34 Ca 0.00 -1.95 -0.23 0.00 0.05 0.00 0.00 55.36 53.23 1xdx s GLN 34 Cb 0.00 0.36 0.02 0.00 1.10 0.00 0.00 33.01 34.49 1xdx s GLN 34 CO 0.00 -0.69 0.76 -0.47 -0.55 0.00 0.00 175.29 174.34 1xdx s TYR 35 N -3.32 3.02 -0.03 1.67 6.14 -1.26 -4.90 117.35 118.66 1xdx s TYR 35 Ca 0.38 0.19 0.02 0.00 0.64 0.00 0.00 57.07 58.30 1xdx s TYR 35 Cb 0.02 -3.57 0.01 0.00 0.42 0.00 0.00 41.96 38.84 1xdx s TYR 35 CO 0.26 -0.93 -0.07 -1.12 0.64 0.00 0.00 175.55 174.33 1xdx s SER 36 N 2.07 1.08 0.25 4.32 0.01 -1.26 -5.04 113.70 115.13 1xdx s SER 36 Ca 0.29 -0.16 -0.04 0.00 1.31 0.00 0.00 55.95 57.35 1xdx s SER 36 Cb -0.13 -0.40 0.30 0.00 0.21 0.00 0.00 66.02 66.00 1xdx s SER 36 CO 0.21 0.01 1.81 -0.08 0.41 0.00 0.00 173.24 175.60 1xdx h GLU 37 N 6.73 0.99 -0.08 12.44 4.81 -1.98 0.52 114.58 138.02 1xdx h GLU 37 Ca -0.35 -0.19 0.01 0.00 -0.13 0.00 0.00 59.36 58.70 1xdx h GLU 37 Cb 1.17 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 30.39 1xdx h GLU 37 CO 0.48 0.84 0.05 0.00 -0.73 0.00 0.00 179.01 179.66 1xdx h ALA 38 N 1.27 2.02 0.00 2.92 0.00 -2.02 -1.34 119.26 122.10 1xdx h ALA 38 Ca 0.21 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1xdx h ALA 38 Cb 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1xdx h ALA 38 CO -0.01 -0.03 -1.43 1.63 0.00 0.00 0.00 179.25 179.41 1xdx n LYS 39 N -4.52 0.43 -0.10 0.00 4.01 -0.74 -4.05 118.16 113.19 1xdx n LYS 39 Ca -0.01 -0.07 0.27 0.00 -0.51 0.00 0.00 58.31 57.98 1xdx n LYS 39 Cb 0.13 -1.57 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 0.32 0.00 -0.18 2.07 0.12 1.04 116.25 119.62 1xdx h VAL 40 Ca 0.00 0.00 -0.33 0.00 0.82 0.00 0.00 66.70 67.19 1xdx h VAL 40 Cb 0.84 0.45 -0.06 0.00 -1.52 0.00 0.00 31.29 31.00 1xdx h VAL 40 CO 0.00 0.00 -2.27 -1.20 0.02 0.00 0.00 177.57 174.12 1xdx n SER 41 N -3.79 2.09 -0.04 0.57 7.64 -1.25 -4.29 113.62 114.55 1xdx n SER 41 Ca 0.16 -0.11 -0.05 0.00 1.01 0.00 0.00 58.87 59.88 1xdx n SER 41 Cb 0.99 -0.21 0.15 0.00 -1.01 0.00 0.00 64.21 64.13 1xdx n SER 41 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1xdx h GLN 42 N 0.00 0.62 0.32 1.43 7.50 -1.36 -3.06 115.11 120.57 1xdx h GLN 42 Ca -0.50 -0.24 -0.02 0.00 0.50 0.00 0.00 58.65 58.40 1xdx h GLN 42 Cb 1.81 -0.04 0.00 0.00 0.05 0.00 0.00 27.48 29.30 1xdx h GLN 42 CO -0.07 0.80 -0.15 -1.49 -1.50 0.00 0.00 178.83 176.42 1xdx h TRP 43 N 0.55 -0.40 -0.34 2.96 -0.00 0.83 -1.73 115.95 117.82 1xdx h TRP 43 Ca 0.08 -0.01 0.10 0.00 -0.00 0.00 0.00 58.89 59.06 1xdx h TRP 43 Cb 0.68 0.13 -0.01 0.00 -0.00 0.00 0.00 29.16 29.96 1xdx h TRP 43 CO 0.03 -0.23 0.37 0.00 -0.00 0.00 0.00 178.44 178.61 1xdx h THR 44 N -0.46 0.40 -0.36 1.49 1.03 -1.73 1.10 112.91 114.39 1xdx h THR 44 Ca -0.04 0.00 -0.17 0.00 -0.01 0.00 0.00 66.41 66.19 1xdx h THR 44 Cb 0.35 0.70 -0.00 0.00 -1.07 0.00 0.00 68.15 68.13 1xdx h THR 44 CO 0.07 0.00 -0.43 0.28 -0.01 0.00 0.00 175.52 175.44 1xdx h SER 45 N 0.00 0.98 -0.19 0.00 0.02 -1.24 -0.42 113.55 112.71 1xdx h SER 45 Ca 0.16 -0.47 -0.08 0.00 -0.84 0.00 0.00 61.79 60.56 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 1.27 -0.13 0.28 -1.14 0.00 0.00 176.83 177.10 1xdx h SER 46 N 0.73 0.56 -0.88 3.07 0.02 0.18 -1.14 113.55 116.09 1xdx h SER 46 Ca 0.05 -0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 60.83 1xdx h SER 46 Cb 1.02 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 63.37 1xdx h SER 46 CO 0.10 0.72 0.50 0.00 -1.14 0.00 0.00 176.83 177.01 1xdx h LEU 48 N 1.23 0.82 -0.24 0.00 4.07 -0.10 1.01 115.31 122.11 1xdx h LEU 48 Ca 0.31 -0.17 -0.20 0.00 0.08 0.00 0.00 57.88 57.90 1xdx h LEU 48 Cb 0.00 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 41.51 1xdx h LEU 48 CO -0.05 0.84 -0.91 -0.08 -1.08 0.00 0.00 178.44 177.16 1xdx h GLU 49 N 0.83 0.16 -0.03 1.13 4.81 -0.14 0.22 114.58 121.55 1xdx h GLU 49 Ca 0.17 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1xdx h GLU 49 Cb 0.37 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.81 1xdx h GLU 49 CO 0.01 0.96 0.00 0.72 -0.73 0.00 0.00 179.01 179.97 1xdx n HIS 50 N -3.61 0.04 -0.09 0.92 8.25 0.30 -1.48 115.22 119.55 1xdx n HIS 50 Ca -0.03 -0.02 -0.15 0.00 -0.26 0.00 0.00 57.72 57.25 1xdx n HIS 50 Cb 0.83 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.87 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 -0.31 1.27 -0.03 0.00 -0.00 -0.62 -1.10 117.51 116.72 1xdx h ILE 52 Ca -0.42 -1.28 -0.12 0.00 -0.00 0.00 0.00 64.86 63.04 1xdx h ILE 52 Cb 1.50 1.07 -0.01 0.00 -0.00 0.00 0.00 36.82 39.37 1xdx h ILE 52 CO -0.16 0.44 -0.52 0.11 -0.00 0.00 0.00 178.15 178.01 1xdx h LYS 53 N 0.80 0.07 0.02 2.19 6.56 -1.48 -2.64 116.57 122.10 1xdx h LYS 53 Ca 0.12 -0.04 -0.12 0.00 -1.06 0.00 0.00 60.65 59.55 1xdx h LYS 53 Cb 0.69 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 32.36 1xdx h LYS 53 CO 0.05 0.58 -0.48 -0.09 -2.06 0.00 0.00 179.45 177.44 1xdx h ARG 54 N 0.05 0.29 -0.43 3.15 9.65 -1.65 -1.91 114.38 123.54 1xdx h ARG 54 Ca -0.00 -0.34 -0.00 0.00 -1.10 0.00 0.00 59.98 58.54 1xdx h ARG 54 Cb 0.94 0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 29.61 1xdx h ARG 54 CO 0.07 1.06 0.26 -0.07 2.80 0.00 0.00 179.97 184.09 1xdx h LEU 55 N -0.33 0.50 -0.07 3.80 3.38 -1.21 -0.91 115.31 120.47 1xdx h LEU 55 Ca -0.07 -0.02 -0.23 0.00 0.09 0.00 0.00 57.88 57.66 1xdx h LEU 55 Cb 1.24 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 1xdx h LEU 55 CO 0.09 0.38 -1.03 0.71 0.09 0.00 0.00 178.44 178.69 1xdx h THR 56 N 0.58 1.57 -0.70 0.22 1.35 -1.53 0.13 112.91 114.53 1xdx h THR 56 Ca 0.15 -3.01 -0.01 0.00 -0.55 0.00 0.00 66.41 63.00 1xdx h THR 56 Cb -0.03 2.74 -0.03 0.00 -1.73 0.00 0.00 68.15 69.09 1xdx h THR 56 CO -0.03 0.87 0.42 0.00 -0.25 0.00 0.00 175.52 176.53 1xdx h ALA 57 N 0.86 1.41 0.05 6.62 0.00 -0.39 -1.73 119.26 126.07 1xdx h ALA 57 Ca -0.06 -0.09 -0.25 0.00 0.00 0.00 0.00 54.91 54.51 1xdx h ALA 57 Cb 1.73 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 19.21 1xdx h ALA 57 CO 0.15 0.51 -1.27 -0.07 0.00 0.00 0.00 179.25 178.57 1xdx h LEU 58 N 0.97 0.16 -3.36 0.00 3.38 -1.16 -3.49 115.31 111.81 1xdx h LEU 58 Ca 0.25 -0.20 -0.34 0.00 0.09 0.00 0.00 57.88 57.68 1xdx h LEU 58 Cb -0.03 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 40.68 1xdx h LEU 58 CO -0.05 1.16 -0.98 -0.46 0.09 0.00 0.00 178.44 178.21 1xdx n ASN 59 N -3.36 -5.79 0.00 -0.43 0.23 0.45 -4.99 115.26 101.37 1xdx n ASN 59 Ca -0.08 -0.34 0.00 0.00 -0.53 0.00 0.00 54.58 53.64 1xdx n ASN 59 Cb 0.99 -2.45 0.00 0.00 -2.08 0.00 0.00 39.78 36.24 1xdx n ASN 59 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1xdx n LYS 60 N -1.16 0.00 0.00 -3.83 4.76 -1.26 -4.80 118.16 111.87 1xdx n LYS 60 Ca -0.13 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.31 1xdx n LYS 60 Cb 0.64 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.83 1xdx n LYS 60 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1xdx n PRO 61 N 0.00 0.29 -0.04 1.97 -0.04 -1.26 -5.10 135.00 130.82 1xdx n PRO 61 Ca 0.00 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.43 1xdx n PRO 61 Cb 0.00 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.45 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 -1.41 0.21 -1.54 0.54 3.01 -1.26 -4.85 117.46 112.17 1xdx n PHE 62 Ca 0.00 0.09 -0.38 0.00 1.01 0.00 0.00 57.45 58.17 1xdx n PHE 62 Cb 0.00 -0.36 -0.06 0.00 -0.01 0.00 0.00 39.48 39.05 1xdx n PHE 62 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1xdx n LYS 63 N -3.41 0.87 -5.14 -1.08 0.00 -1.13 -4.88 118.16 103.38 1xdx n LYS 63 Ca -0.05 0.03 -0.30 0.00 0.00 0.00 0.00 58.31 58.00 1xdx n LYS 63 Cb 0.19 -2.99 -0.16 0.00 0.00 0.00 0.00 35.03 32.07 1xdx n LYS 63 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 1xdx s TYR 64 N 11.17 2.17 -0.15 5.64 2.02 -1.26 0.24 117.35 137.17 1xdx s TYR 64 Ca 1.07 -0.57 -0.03 0.00 -0.37 0.00 0.00 57.07 57.17 1xdx s TYR 64 Cb -0.44 -1.42 -0.02 0.00 -0.40 0.00 0.00 41.96 39.67 1xdx s TYR 64 CO 0.32 -0.15 -0.07 0.08 -1.57 0.00 0.00 175.55 174.17 1xdx s VAL 65 N -0.24 3.58 -0.17 0.71 1.01 0.67 -4.95 120.40 121.01 1xdx s VAL 65 Ca 0.00 -0.46 -0.02 0.00 0.00 0.00 0.00 61.98 61.50 1xdx s VAL 65 Cb -0.12 -2.56 0.05 0.00 0.00 0.00 0.00 36.38 33.76 1xdx s VAL 65 CO 0.02 0.50 0.01 -0.69 0.00 0.00 0.00 175.10 174.94 1xdx s VAL 66 N 0.47 0.64 0.03 2.92 1.01 -1.26 -0.05 120.40 124.16 1xdx s VAL 66 Ca -0.05 -0.50 0.01 0.00 0.00 0.00 0.00 61.98 61.44 1xdx s VAL 66 Cb -0.15 -1.03 -0.02 0.00 0.00 0.00 0.00 36.38 35.18 1xdx s VAL 66 CO 0.03 -0.08 -0.06 0.28 0.00 0.00 0.00 175.10 175.28 1xdx s THR 67 N 1.82 0.37 0.04 3.92 -1.32 -0.55 -4.93 115.64 114.99 1xdx s THR 67 Ca -0.00 -0.86 0.00 0.00 -1.21 0.00 0.00 61.69 59.62 1xdx s THR 67 Cb -0.16 -0.44 -0.03 0.00 -1.51 0.00 0.00 72.50 70.36 1xdx s THR 67 CO -0.07 -0.33 -0.04 0.00 -2.21 0.00 0.00 174.62 171.96 1xdx s ILE 69 N -2.53 0.42 0.17 0.00 1.09 0.17 -4.97 121.20 115.55 1xdx s ILE 69 Ca -0.04 0.07 -0.10 0.00 -1.10 0.00 0.00 60.65 59.48 1xdx s ILE 69 Cb -0.02 -0.55 -0.07 0.00 -1.06 0.00 0.00 42.46 40.76 1xdx s ILE 69 CO -0.04 0.26 0.49 0.27 -0.10 0.00 0.00 174.94 175.81 1xdx s ILE 70 N 1.81 4.99 -0.24 2.92 -5.25 -1.26 -0.96 121.20 123.21 1xdx s ILE 70 Ca 0.03 0.47 0.02 0.00 -0.99 0.00 0.00 60.65 60.18 1xdx s ILE 70 Cb -0.13 -3.65 0.05 0.00 2.95 0.00 0.00 42.46 41.68 1xdx s ILE 70 CO -0.05 0.09 -0.13 -0.32 -1.79 0.00 0.00 174.94 172.74 1xdx s MET 71 N -2.42 2.48 -0.47 0.37 1.75 0.41 -4.96 119.30 116.46 1xdx s MET 71 Ca 0.41 -1.19 -0.28 0.00 -1.25 0.00 0.00 55.69 53.39 1xdx s MET 71 Cb -0.13 -2.81 -0.01 0.00 2.84 0.00 0.00 34.83 34.73 1xdx s MET 71 CO 0.21 -0.46 1.65 -1.14 -0.65 0.00 0.00 175.02 174.62 1xdx s GLN 72 N 1.16 3.20 1.91 4.11 -0.44 -1.26 -1.45 119.66 126.89 1xdx s GLN 72 Ca -0.05 0.91 0.00 0.00 -2.50 0.00 0.00 55.36 53.72 1xdx s GLN 72 Cb -0.18 -4.19 0.00 0.00 -1.64 0.00 0.00 33.01 27.00 1xdx s GLN 72 CO -0.07 -2.03 0.00 1.17 0.50 0.00 0.00 175.29 174.85 1xdx n LYS 73 N 8.60 0.00 -3.87 1.67 4.81 -1.26 -4.46 118.16 123.65 1xdx n LYS 73 Ca 0.19 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 57.34 1xdx n LYS 73 Cb 0.49 0.00 -0.13 0.00 0.02 0.00 0.00 35.03 35.41 1xdx n LYS 73 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1xdx s ASN 74 N -4.00 4.35 0.00 3.14 4.22 -1.26 -4.71 114.94 116.68 1xdx s ASN 74 Ca 0.00 -3.40 0.00 0.00 -2.14 0.00 0.00 52.86 47.32 1xdx s ASN 74 Cb 0.00 -1.52 0.00 0.00 1.28 0.00 0.00 41.25 41.01 1xdx s ASN 74 CO 0.00 -0.16 0.00 0.61 -2.04 0.00 0.00 177.10 175.51 1xdx n GLY 75 N 2.56 0.07 3.75 0.45 0.00 -1.26 -5.13 105.19 105.63 1xdx n GLY 75 Ca 0.14 -0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.90 3.59 -0.37 4.61 0.00 -1.26 -4.94 121.76 122.49 1xdx s ALA 76 Ca 0.00 1.35 -0.29 0.00 0.00 0.00 0.00 51.96 53.02 1xdx s ALA 76 Cb 0.00 -3.55 0.02 0.00 0.00 0.00 0.00 23.12 19.59 1xdx s ALA 76 CO 0.00 -0.76 1.20 0.20 0.00 0.00 0.00 175.76 176.40 1xdx s GLY 77 N 0.10 1.38 -0.01 0.00 0.00 -1.26 -5.00 107.32 102.53 1xdx s GLY 77 Ca 0.56 -0.13 0.00 0.00 0.00 0.00 0.00 44.72 45.15 1xdx s GLY 77 CO 0.48 2.46 -0.00 -2.27 0.00 0.00 0.00 173.10 173.77 1xdx s LEU 78 N 4.28 1.55 -0.16 0.66 1.98 -1.26 -5.14 118.68 120.59 1xdx s LEU 78 Ca 0.51 -0.02 -0.08 0.00 -2.89 0.00 0.00 54.13 51.66 1xdx s LEU 78 Cb -0.12 -0.13 0.06 0.00 0.66 0.00 0.00 46.19 46.66 1xdx s LEU 78 CO 0.24 -0.05 0.36 -1.00 -1.89 0.00 0.00 176.35 174.02 1xdx s HIS 79 N 0.52 -0.56 0.13 5.38 3.76 -1.26 -5.16 115.29 118.10 1xdx s HIS 79 Ca -0.05 1.20 0.04 0.00 -0.15 0.00 0.00 55.06 56.09 1xdx s HIS 79 Cb -0.07 0.20 -0.04 0.00 1.11 0.00 0.00 32.58 33.77 1xdx s HIS 79 CO -0.01 -0.35 0.17 0.99 -0.85 0.00 0.00 174.74 174.69 1xdx s THR 80 N 1.70 4.78 0.01 1.30 2.01 -1.26 -5.12 115.64 119.06 1xdx s THR 80 Ca -0.07 -0.86 0.03 0.00 0.31 0.00 0.00 61.69 61.10 1xdx s THR 80 Cb -0.10 -3.41 -0.01 0.00 0.01 0.00 0.00 72.50 68.99 1xdx s THR 80 CO -0.11 -0.03 -0.09 0.00 -0.69 0.00 0.00 174.62 173.69 1xdx s ALA 81 N -1.65 0.74 -0.14 7.40 0.00 -1.26 -5.15 121.76 121.70 1xdx s ALA 81 Ca 0.32 -0.52 -0.26 0.00 0.00 0.00 0.00 51.96 51.49 1xdx s ALA 81 Cb -0.11 -0.13 0.06 0.00 0.00 0.00 0.00 23.12 22.95 1xdx s ALA 81 CO 0.25 0.14 0.65 0.00 0.00 0.00 0.00 175.76 176.79 1xdx s ALA 82 N -0.56 -1.64 -0.11 0.00 0.00 -1.26 -5.14 121.76 113.05 1xdx s ALA 82 Ca 0.00 1.49 -0.04 0.00 0.00 0.00 0.00 51.96 53.42 1xdx s ALA 82 Cb -0.05 -0.48 0.06 0.00 0.00 0.00 0.00 23.12 22.64 1xdx s ALA 82 CO 0.00 -0.34 0.16 0.45 0.00 0.00 0.00 175.76 176.03 1xdx s SER 83 N -0.51 1.06 0.07 0.00 0.15 -1.26 -5.15 113.70 108.06 1xdx s SER 83 Ca -0.06 0.11 0.08 0.00 0.70 0.00 0.00 55.95 56.78 1xdx s SER 83 Cb -0.02 0.22 -0.03 0.00 -1.71 0.00 0.00 66.02 64.47 1xdx s SER 83 CO 0.06 -0.27 -0.19 0.00 1.20 0.00 0.00 173.24 174.03 1xdx s TRP 85 N -0.99 3.20 0.08 0.00 -0.00 -1.26 -5.03 118.94 114.93 1xdx s TRP 85 Ca 0.15 1.49 -0.22 0.00 -0.00 0.00 0.00 56.10 57.53 1xdx s TRP 85 Cb -0.10 -2.91 -0.07 0.00 -0.00 0.00 0.00 33.47 30.39 1xdx s TRP 85 CO 0.07 -0.78 0.66 -1.58 -0.00 0.00 0.00 176.95 175.31 1xdx s TRP 86 N -2.53 3.80 -0.19 5.86 0.51 -1.26 -5.06 118.94 120.08 1xdx s TRP 86 Ca 0.61 1.38 -0.29 0.00 -2.12 0.00 0.00 56.10 55.69 1xdx s TRP 86 Cb -0.13 -2.64 0.13 0.00 -0.81 0.00 0.00 33.47 30.02 1xdx s TRP 86 CO 0.34 0.48 1.01 0.34 -0.51 0.00 0.00 176.95 178.61 1xdx s ASP 87 N -0.80 -0.38 0.13 2.95 -1.08 -1.26 -5.04 116.67 111.18 1xdx s ASP 87 Ca 0.32 0.50 0.10 0.00 -0.52 0.00 0.00 52.55 52.95 1xdx s ASP 87 Cb -0.20 0.42 -0.16 0.00 -1.46 0.00 0.00 42.92 41.52 1xdx s ASP 87 CO 0.21 -0.30 1.22 -1.28 0.52 0.00 0.00 175.17 175.54 1xdx h SER 88 N 2.91 0.00 0.76 -0.34 0.87 -2.00 -3.29 113.55 112.47 1xdx h SER 88 Ca -0.20 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.20 1xdx h SER 88 Cb 1.17 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.10 1xdx h SER 88 CO 0.27 0.89 -0.73 0.00 -0.53 0.00 0.00 176.83 176.73 1xdx h THR 89 N 0.00 1.50 -2.35 2.23 1.03 -1.97 -3.35 112.91 110.01 1xdx h THR 89 Ca -0.05 -2.52 -0.64 0.00 -0.01 0.00 0.00 66.41 63.19 1xdx h THR 89 Cb 1.72 2.37 -0.39 0.00 -1.07 0.00 0.00 68.15 70.77 1xdx h THR 89 CO 0.11 0.72 -0.34 0.35 -0.01 0.00 0.00 175.52 176.34 1xdx n THR 90 N -3.64 2.89 -4.04 0.00 -2.24 -1.24 0.73 114.28 106.74 1xdx n THR 90 Ca -0.01 -5.35 -0.31 0.00 -2.27 0.00 0.00 64.05 56.12 1xdx n THR 90 Cb 0.72 -2.10 -0.16 0.00 -2.10 0.00 0.00 70.33 66.68 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 -2.33 2.80 0.00 3.42 2.15 -1.25 -4.57 116.67 116.90 1xdx s ASP 91 Ca 0.38 -0.54 0.00 0.00 0.43 0.00 0.00 52.55 52.82 1xdx s ASP 91 Cb 0.13 -1.24 0.00 0.00 -0.30 0.00 0.00 42.92 41.51 1xdx s ASP 91 CO 0.01 -0.05 0.00 0.61 -0.17 0.00 0.00 175.17 175.57 1xdx n GLY 92 N 4.74 0.00 3.46 2.66 0.00 -1.22 -4.28 105.19 110.55 1xdx n GLY 92 Ca -0.18 0.00 -0.56 0.00 0.00 0.00 0.00 46.02 45.29 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 1.74 -3.66 1.61 3.41 -1.26 -3.33 113.62 112.13 1xdx n SER 93 Ca 0.00 0.66 -0.12 0.00 -0.26 0.00 0.00 58.87 59.15 1xdx n SER 93 Cb 0.00 -1.11 -0.12 0.00 -0.26 0.00 0.00 64.21 62.72 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 5.47 0.22 0.14 4.33 0.52 -0.12 -4.97 118.95 124.53 1xdx s ARG 94 Ca 1.10 0.84 -0.02 0.00 -0.52 0.00 0.00 55.73 57.13 1xdx s ARG 94 Cb -1.12 0.09 -0.05 0.00 0.52 0.00 0.00 34.95 34.39 1xdx s ARG 94 CO 0.59 -0.26 0.32 -0.08 0.02 0.00 0.00 175.30 175.89 1xdx s THR 95 N 2.41 5.26 -0.06 0.02 -1.32 -1.26 0.08 115.64 120.76 1xdx s THR 95 Ca -0.01 -0.27 0.00 0.00 -1.21 0.00 0.00 61.69 60.21 1xdx s THR 95 Cb -0.12 -3.67 0.02 0.00 -1.51 0.00 0.00 72.50 67.23 1xdx s THR 95 CO -0.10 -0.01 -0.04 -0.69 -2.21 0.00 0.00 174.62 171.57 1xdx s VAL 96 N -1.69 0.58 -0.44 5.08 1.01 0.85 -2.62 120.40 123.17 1xdx s VAL 96 Ca 0.38 -0.10 -0.17 0.00 0.00 0.00 0.00 61.98 62.09 1xdx s VAL 96 Cb -0.12 -0.63 0.04 0.00 0.00 0.00 0.00 36.38 35.67 1xdx s VAL 96 CO 0.27 0.25 0.43 -0.60 0.00 0.00 0.00 175.10 175.46 1xdx s ARG 97 N 1.20 3.05 -0.19 2.72 6.06 -1.25 0.41 118.95 130.95 1xdx s ARG 97 Ca -0.06 -0.95 -0.04 0.00 -2.50 0.00 0.00 55.73 52.18 1xdx s ARG 97 Cb -0.14 -4.02 -0.02 0.00 0.06 0.00 0.00 34.95 30.83 1xdx s ARG 97 CO -0.02 -0.93 -0.03 -0.46 -2.50 0.00 0.00 175.30 171.37 1xdx s TRP 98 N 2.03 3.00 0.16 5.12 -0.00 0.15 -3.93 118.94 125.47 1xdx s TRP 98 Ca 0.10 -0.57 0.05 0.00 -0.00 0.00 0.00 56.10 55.68 1xdx s TRP 98 Cb -0.19 -2.05 -0.04 0.00 -0.00 0.00 0.00 33.47 31.18 1xdx s TRP 98 CO 0.11 -0.29 -0.11 -1.21 -0.00 0.00 0.00 176.95 175.45 1xdx s GLU 99 N 0.98 1.13 -0.10 5.86 8.01 -1.15 0.53 118.70 133.96 1xdx s GLU 99 Ca 0.01 -1.48 -0.08 0.00 0.01 0.00 0.00 54.97 53.43 1xdx s GLU 99 Cb -0.14 -0.76 -0.05 0.00 -4.31 0.00 0.00 34.13 28.86 1xdx s GLU 99 CO 0.01 0.11 -0.18 0.27 0.01 0.00 0.00 175.26 175.48 1xdx n ASN 100 N -0.22 1.19 0.00 -0.19 0.23 -1.20 0.61 115.26 115.68 1xdx n ASN 100 Ca -0.10 0.19 0.00 0.00 -0.53 0.00 0.00 54.58 54.15 1xdx n ASN 100 Cb 0.60 -0.46 0.00 0.00 -2.08 0.00 0.00 39.78 37.84 1xdx n ASN 100 CO 0.00 0.00 0.00 2.29 -0.93 0.00 0.00 177.26 178.62 1xdx n LYS 101 N -3.76 0.00 -0.04 -3.83 -0.00 -1.26 -1.20 118.16 108.06 1xdx n LYS 101 Ca -0.19 0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 58.02 1xdx n LYS 101 Cb 0.52 0.00 -0.03 0.00 -0.00 0.00 0.00 35.03 35.52 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 -1.67 0.85 -4.90 -5.58 2.88 -1.26 -5.04 113.62 98.90 1xdx n SER 102 Ca 0.00 0.14 -0.29 0.00 -1.33 0.00 0.00 58.87 57.40 1xdx n SER 102 Cb 0.00 -0.34 -0.02 0.00 -0.75 0.00 0.00 64.21 63.10 1xdx n SER 102 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 1xdx s MET 103 N -2.22 3.65 0.24 -1.46 -1.94 -1.26 -3.99 119.30 112.33 1xdx s MET 103 Ca -0.14 0.18 0.11 0.00 -1.71 0.00 0.00 55.69 54.13 1xdx s MET 103 Cb 0.05 -2.50 -0.05 0.00 2.01 0.00 0.00 34.83 34.34 1xdx s MET 103 CO 0.18 0.03 -0.13 0.71 -0.01 0.00 0.00 175.02 175.80 1xdx s TYR 104 N -2.34 2.47 -0.28 -0.03 2.02 -0.53 -3.26 117.35 115.41 1xdx s TYR 104 Ca 0.47 -0.28 -0.00 0.00 -0.37 0.00 0.00 57.07 56.88 1xdx s TYR 104 Cb -0.10 -1.13 0.14 0.00 -0.40 0.00 0.00 41.96 40.46 1xdx s TYR 104 CO 0.34 0.62 0.31 0.00 -1.57 0.00 0.00 175.55 175.25 1xdx s ILE 106 N 2.40 5.19 -0.17 0.00 2.07 -0.14 0.30 121.20 130.85 1xdx s ILE 106 Ca 0.09 -0.01 0.00 0.00 -1.41 0.00 0.00 60.65 59.32 1xdx s ILE 106 Cb -0.14 -3.81 0.01 0.00 0.13 0.00 0.00 42.46 38.65 1xdx s ILE 106 CO -0.29 -0.09 -0.17 0.00 -1.91 0.00 0.00 174.94 172.48 1xdx s THR 108 N 1.14 3.58 -0.07 0.00 -1.32 0.16 -0.10 115.64 119.03 1xdx s THR 108 Ca 0.01 -0.88 0.02 0.00 -1.21 0.00 0.00 61.69 59.63 1xdx s THR 108 Cb -0.14 -2.58 0.01 0.00 -1.51 0.00 0.00 72.50 68.28 1xdx s THR 108 CO -0.07 0.34 -0.14 -0.69 -2.21 0.00 0.00 174.62 171.85 1xdx s VAL 109 N -1.04 1.26 -0.39 5.08 1.01 0.11 -1.49 120.40 124.94 1xdx s VAL 109 Ca 0.18 -0.55 -0.02 0.00 0.00 0.00 0.00 61.98 61.60 1xdx s VAL 109 Cb -0.11 -1.14 0.10 0.00 0.00 0.00 0.00 36.38 35.24 1xdx s VAL 109 CO 0.09 0.38 0.17 -0.36 0.00 0.00 0.00 175.10 175.38 1xdx s PHE 110 N 0.64 3.60 -1.00 5.22 0.40 0.93 -0.95 117.98 126.82 1xdx s PHE 110 Ca -0.15 -2.47 -0.20 0.00 -0.60 0.00 0.00 56.93 53.51 1xdx s PHE 110 Cb -0.16 -3.12 0.09 0.00 0.51 0.00 0.00 43.02 40.35 1xdx s PHE 110 CO 0.04 -0.96 1.31 0.20 0.70 0.00 0.00 175.22 176.52 1xdx s GLY 111 N 1.66 1.65 -0.01 4.36 0.00 -1.21 -0.24 107.32 113.53 1xdx s GLY 111 Ca 0.08 -2.58 -0.17 0.00 0.00 0.00 0.00 44.72 42.04 1xdx s GLY 111 CO -0.05 2.35 0.48 1.08 0.00 0.00 0.00 173.10 176.96 1xdx s LEU 112 N 3.71 4.44 -1.27 0.66 1.02 0.14 -3.40 118.68 123.97 1xdx s LEU 112 Ca 0.40 1.02 -0.14 0.00 0.02 0.00 0.00 54.13 55.43 1xdx s LEU 112 Cb -0.02 -2.71 0.13 0.00 0.02 0.00 0.00 46.19 43.61 1xdx s LEU 112 CO -0.08 0.22 1.67 0.00 0.02 0.00 0.00 176.35 178.18 1xdx n ALA 113 N 2.27 4.21 -0.55 4.21 0.00 0.22 -2.83 120.51 128.04 1xdx n ALA 113 Ca -0.11 -4.12 0.00 0.00 0.00 0.00 0.00 53.44 49.21 1xdx n ALA 113 Cb 0.52 -3.23 0.00 0.00 0.00 0.00 0.00 19.45 16.73 1xdx n ALA 113 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61