#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 0.36 0.00 0.03 2.13 -1.26 -5.06 120.64 116.85 1xdx n GLU 2 Ca 0.00 0.15 0.00 0.00 0.66 0.00 0.00 57.16 57.97 1xdx n GLU 2 Cb 0.00 -1.13 0.00 0.00 0.27 0.00 0.00 31.44 30.58 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 2.05 0.38 3.67 8.31 0.00 -1.26 -5.14 105.19 113.20 1xdx n GLY 3 Ca -0.33 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.47 5.26 -0.36 1.61 1.01 -1.26 -4.68 120.40 121.50 1xdx s VAL 4 Ca 0.00 0.14 0.01 0.00 0.00 0.00 0.00 61.98 62.13 1xdx s VAL 4 Cb 0.00 -3.42 0.12 0.00 0.00 0.00 0.00 36.38 33.07 1xdx s VAL 4 CO 0.00 0.40 0.15 -0.62 0.00 0.00 0.00 175.10 175.03 1xdx s ASP 5 N 0.73 3.91 0.08 3.32 -1.08 0.95 -4.97 116.67 119.61 1xdx s ASP 5 Ca 0.07 -2.09 -0.31 0.00 -0.52 0.00 0.00 52.55 49.70 1xdx s ASP 5 Cb -0.13 -0.98 -0.07 0.00 -1.46 0.00 0.00 42.92 40.28 1xdx s ASP 5 CO 0.02 -0.35 1.43 -2.16 0.52 0.00 0.00 175.17 174.63 1xdx s PRO 6 N 1.04 4.29 0.00 4.34 0.04 -1.25 -3.71 135.00 139.76 1xdx s PRO 6 Ca 0.13 2.09 0.00 0.00 0.04 0.00 0.00 61.00 63.26 1xdx s PRO 6 Cb -0.20 -3.37 0.00 0.00 0.04 0.00 0.00 34.50 30.97 1xdx s PRO 6 CO -0.13 -0.52 0.00 0.00 0.04 0.00 0.00 177.00 176.39 1xdx n ALA 7 N 4.52 0.00 -0.05 8.56 0.00 -0.31 -4.80 120.51 128.43 1xdx n ALA 7 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 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 -3.95 0.00 0.31 -1.26 -3.88 118.33 109.55 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 1.93 0.34 5.55 0.41 -1.26 -5.10 118.70 120.57 1xdx s GLU 9 Ca 0.00 -2.52 -0.28 0.00 -0.41 0.00 0.00 54.97 51.77 1xdx s GLU 9 Cb 0.00 -3.32 -0.09 0.00 -1.78 0.00 0.00 34.13 28.94 1xdx s GLU 9 CO 0.00 -1.09 1.22 -2.00 -0.49 0.00 0.00 175.26 172.90 1xdx s GLU 10 N -0.12 4.31 0.25 1.61 2.12 -1.26 -4.41 118.70 121.21 1xdx s GLU 10 Ca 0.16 2.02 0.09 0.00 0.36 0.00 0.00 54.97 57.60 1xdx s GLU 10 Cb -0.25 -2.97 -0.04 0.00 0.26 0.00 0.00 34.13 31.13 1xdx s GLU 10 CO -0.01 -0.15 0.04 0.00 -0.54 0.00 0.00 175.26 174.60 1xdx s ALA 11 N -1.23 3.26 0.60 6.30 0.00 -1.26 -4.83 121.76 124.60 1xdx s ALA 11 Ca 0.51 -1.57 0.00 0.00 0.00 0.00 0.00 51.96 50.89 1xdx s ALA 11 Cb -0.35 -0.92 0.00 0.00 0.00 0.00 0.00 23.12 21.85 1xdx s ALA 11 CO 0.46 0.28 0.00 0.00 0.00 0.00 0.00 175.76 176.50 1xdx n ALA 12 N -0.88 -2.64 -2.33 0.00 0.00 -1.21 -4.43 120.51 109.00 1xdx n ALA 12 Ca -0.07 0.66 0.02 0.00 0.00 0.00 0.00 53.44 54.05 1xdx n ALA 12 Cb 0.58 -1.49 0.01 0.00 0.00 0.00 0.00 19.45 18.54 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 -3.27 0.00 -4.35 0.00 7.35 -1.26 -5.02 117.46 110.91 1xdx n PHE 13 Ca -0.04 -0.38 -0.23 0.00 -0.76 0.00 0.00 57.45 56.04 1xdx n PHE 13 Cb 0.56 -0.05 -0.11 0.00 0.35 0.00 0.00 39.48 40.22 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 1.90 -0.85 -2.13 1.01 -1.26 -4.87 120.40 114.21 1xdx s VAL 14 Ca 0.23 -1.93 -0.03 0.00 0.00 0.00 0.00 61.98 60.25 1xdx s VAL 14 Cb 0.26 -1.88 -0.02 0.00 0.00 0.00 0.00 36.38 34.74 1xdx s VAL 14 CO -0.11 -0.29 0.76 0.00 0.00 0.00 0.00 175.10 175.46 1xdx n ALA 15 N 0.29 -2.52 0.21 5.51 0.00 -1.26 -4.74 120.51 118.00 1xdx n ALA 15 Ca -0.13 0.01 0.06 0.00 0.00 0.00 0.00 53.44 53.37 1xdx n ALA 15 Cb 0.57 -2.72 0.53 0.00 0.00 0.00 0.00 19.45 17.82 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 -0.11 0.05 -0.01 0.00 3.58 -1.98 -0.85 116.42 117.11 1xdx h ASP 16 Ca -0.23 -0.01 0.02 0.00 0.42 0.00 0.00 57.03 57.24 1xdx h ASP 16 Cb 1.12 -0.01 -0.03 0.00 1.72 0.00 0.00 39.33 42.13 1xdx h ASP 16 CO 0.35 0.16 -0.14 -0.78 -2.88 0.00 0.00 179.24 175.95 1xdx h ASP 17 N 0.06 -0.40 0.39 2.28 1.82 -2.01 -1.04 116.42 117.53 1xdx h ASP 17 Ca 0.01 0.06 -0.23 0.00 -0.39 0.00 0.00 57.03 56.48 1xdx h ASP 17 Cb 0.21 0.17 0.00 0.00 0.68 0.00 0.00 39.33 40.40 1xdx h ASP 17 CO 0.01 -0.19 -0.99 0.58 -1.61 0.00 0.00 179.24 177.04 1xdx h VAL 18 N -0.22 1.42 -0.57 2.25 2.07 -1.88 -3.21 116.25 116.11 1xdx h VAL 18 Ca 0.05 -2.55 0.06 0.00 0.82 0.00 0.00 66.70 65.08 1xdx h VAL 18 Cb 0.29 2.51 -0.05 0.00 -1.52 0.00 0.00 31.29 32.51 1xdx h VAL 18 CO -0.14 0.76 0.28 0.28 0.02 0.00 0.00 177.57 178.76 1xdx h SER 19 N 0.20 0.38 -0.42 0.57 0.02 -0.92 -2.43 113.55 110.95 1xdx h SER 19 Ca -0.09 0.04 -0.13 0.00 -0.84 0.00 0.00 61.79 60.77 1xdx h SER 19 Cb 1.64 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 64.14 1xdx h SER 19 CO 0.17 0.25 -0.22 -0.55 -1.14 0.00 0.00 176.83 175.34 1xdx h ASN 20 N 0.52 0.95 -0.30 3.07 7.08 -1.27 -2.88 115.58 122.75 1xdx h ASN 20 Ca 0.26 -0.36 0.05 0.00 -3.08 0.00 0.00 56.30 53.17 1xdx h ASN 20 Cb 0.20 -0.26 -0.04 0.00 -2.08 0.00 0.00 38.32 36.14 1xdx h ASN 20 CO -0.20 1.13 0.03 0.40 -2.08 0.00 0.00 177.43 176.72 1xdx h ILE 21 N 0.80 0.82 0.32 6.14 2.04 -1.45 0.35 117.51 126.54 1xdx h ILE 21 Ca 0.10 -0.05 -0.02 0.00 1.00 0.00 0.00 64.86 65.90 1xdx h ILE 21 Cb 0.78 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 37.55 1xdx h ILE 21 CO 0.06 0.02 -0.15 0.40 0.00 0.00 0.00 178.15 178.49 1xdx h ILE 22 N 0.13 0.71 -0.17 -0.67 2.04 -1.46 -1.14 117.51 116.95 1xdx h ILE 22 Ca 0.14 -0.40 0.05 0.00 1.00 0.00 0.00 64.86 65.66 1xdx h ILE 22 Cb 0.17 0.92 -0.07 0.00 -0.74 0.00 0.00 36.82 37.10 1xdx h ILE 22 CO -0.21 0.08 -0.31 0.11 0.00 0.00 0.00 178.15 177.82 1xdx h LYS 23 N -0.64 -0.35 -0.76 2.37 1.57 -1.38 0.22 116.57 117.60 1xdx h LYS 23 Ca -0.04 0.02 0.14 0.00 -1.87 0.00 0.00 60.65 58.90 1xdx h LYS 23 Cb 0.46 0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.80 1xdx h LYS 23 CO 0.07 -0.23 0.50 0.93 -0.57 0.00 0.00 179.45 180.15 1xdx h GLU 24 N -0.36 0.44 -0.16 3.15 4.39 -0.94 -1.41 114.58 119.69 1xdx h GLU 24 Ca 0.11 -0.03 -0.06 0.00 0.34 0.00 0.00 59.36 59.72 1xdx h GLU 24 Cb 0.53 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 29.08 1xdx h GLU 24 CO -0.38 0.29 -0.14 0.77 -1.16 0.00 0.00 179.01 178.40 1xdx h SER 25 N 0.45 0.40 -0.79 1.42 0.02 0.63 -3.13 113.55 112.55 1xdx h SER 25 Ca 0.37 -0.47 0.05 0.00 -0.84 0.00 0.00 61.79 60.90 1xdx h SER 25 Cb 0.80 -0.11 -0.05 0.00 0.14 0.00 0.00 62.40 63.18 1xdx h SER 25 CO -0.12 0.78 0.49 0.40 -1.14 0.00 0.00 176.83 177.24 1xdx h ILE 26 N 0.02 1.07 -0.97 3.27 5.03 0.26 1.36 117.51 127.55 1xdx h ILE 26 Ca 0.03 -0.32 0.20 0.00 -0.12 0.00 0.00 64.86 64.65 1xdx h ILE 26 Cb 0.66 0.06 -0.09 0.00 -3.03 0.00 0.00 36.82 34.43 1xdx h ILE 26 CO 0.04 0.17 0.62 -0.78 -0.68 0.00 0.00 178.15 177.51 1xdx h ASP 27 N 0.93 0.60 0.10 1.72 3.58 -1.37 0.86 116.42 122.83 1xdx h ASP 27 Ca 0.33 0.07 -0.33 0.00 0.42 0.00 0.00 57.03 57.52 1xdx h ASP 27 Cb 0.09 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.09 1xdx h ASP 27 CO -0.14 0.21 -1.79 0.00 -2.88 0.00 0.00 179.24 174.64 1xdx h ALA 28 N 1.62 0.36 0.00 -0.78 0.00 -1.03 -1.59 119.26 117.85 1xdx h ALA 28 Ca 0.54 -1.32 0.00 0.00 0.00 0.00 0.00 54.91 54.13 1xdx h ALA 28 Cb 1.08 0.69 0.00 0.00 0.00 0.00 0.00 17.79 19.56 1xdx h ALA 28 CO -0.29 1.14 0.00 0.28 0.00 0.00 0.00 179.25 180.38 1xdx n VAL 29 N -3.72 0.61 -0.00 0.00 0.31 0.45 -0.95 118.33 115.02 1xdx n VAL 29 Ca -0.31 0.15 -0.00 0.00 -0.01 0.00 0.00 64.34 64.17 1xdx n VAL 29 Cb 0.96 -0.82 -0.01 0.00 -0.91 0.00 0.00 33.84 33.07 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 -1.45 0.65 0.14 7.52 7.99 0.29 -4.69 117.00 127.45 1xdx n LEU 30 Ca 0.06 -0.00 0.12 0.00 -0.01 0.00 0.00 56.01 56.17 1xdx n LEU 30 Cb 0.21 0.01 0.08 0.00 -0.11 0.00 0.00 43.42 43.60 1xdx n LEU 30 CO 0.17 0.13 0.32 -0.61 -1.51 0.00 0.00 177.39 175.89 1xdx h GLN 31 N 0.00 0.00 -0.68 3.23 4.15 -1.31 -3.37 115.11 117.13 1xdx h GLN 31 Ca -0.02 0.00 0.15 0.00 0.77 0.00 0.00 58.65 59.54 1xdx h GLN 31 Cb 1.05 0.00 -0.12 0.00 0.21 0.00 0.00 27.48 28.61 1xdx h GLN 31 CO 0.00 0.00 -0.05 -2.95 -1.93 0.00 0.00 178.83 173.90 1xdx h ASN 32 N 0.00 -0.40 -4.28 -0.69 -1.07 -1.21 -3.43 115.58 104.49 1xdx h ASN 32 Ca 0.00 0.18 -0.42 0.00 0.07 0.00 0.00 56.30 56.13 1xdx h ASN 32 Cb 0.98 0.34 -0.08 0.00 -2.07 0.00 0.00 38.32 37.48 1xdx h ASN 32 CO 0.00 -0.17 -0.31 1.67 0.07 0.00 0.00 177.43 178.68 1xdx n GLN 33 N -5.35 1.07 -1.93 4.14 7.27 -1.26 -5.13 117.38 116.20 1xdx n GLN 33 Ca 0.11 -2.41 -0.29 0.00 0.07 0.00 0.00 57.00 54.48 1xdx n GLN 33 Cb 0.40 0.79 0.20 0.00 2.41 0.00 0.00 30.24 34.04 1xdx n GLN 33 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07 1xdx n GLN 34 N -0.78 -1.20 -2.29 3.69 7.27 -1.26 -4.95 117.38 117.86 1xdx n GLN 34 Ca -0.12 -2.08 -0.43 0.00 0.07 0.00 0.00 57.00 54.44 1xdx n GLN 34 Cb 0.42 -1.30 -0.02 0.00 2.41 0.00 0.00 30.24 31.75 1xdx n GLN 34 CO 0.00 0.00 0.00 -0.47 0.07 0.00 0.00 177.06 176.66 1xdx s TYR 35 N -3.81 2.28 -0.09 3.69 5.04 -1.26 -4.99 117.35 118.21 1xdx s TYR 35 Ca 0.74 0.65 0.01 0.00 -2.44 0.00 0.00 57.07 56.03 1xdx s TYR 35 Cb -0.02 -4.29 0.02 0.00 0.35 0.00 0.00 41.96 38.02 1xdx s TYR 35 CO 0.52 -2.16 -0.10 -1.12 -1.34 0.00 0.00 175.55 171.35 1xdx s SER 36 N 4.39 1.91 0.25 4.32 0.01 -1.26 -5.02 113.70 118.29 1xdx s SER 36 Ca 0.64 -0.29 -0.06 0.00 1.31 0.00 0.00 55.95 57.55 1xdx s SER 36 Cb -0.15 -0.81 0.27 0.00 0.21 0.00 0.00 66.02 65.54 1xdx s SER 36 CO 0.32 -0.04 1.92 -0.08 0.41 0.00 0.00 173.24 175.77 1xdx h GLU 37 N 7.54 1.26 0.00 12.44 4.57 -1.98 0.83 114.58 139.23 1xdx h GLU 37 Ca -0.31 -0.08 -0.00 0.00 -1.18 0.00 0.00 59.36 57.79 1xdx h GLU 37 Cb 1.16 -0.28 -0.00 0.00 -0.16 0.00 0.00 28.75 29.46 1xdx h GLU 37 CO 0.44 0.83 -0.01 0.00 -1.18 0.00 0.00 179.01 179.10 1xdx h ALA 38 N 1.37 1.60 0.00 2.92 0.00 -2.01 -0.53 119.26 122.61 1xdx h ALA 38 Ca 0.37 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1xdx h ALA 38 Cb -0.10 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1xdx h ALA 38 CO -0.09 0.01 -1.30 1.63 0.00 0.00 0.00 179.25 179.50 1xdx n LYS 39 N -3.97 0.38 -0.08 0.00 4.01 0.55 -3.93 118.16 115.12 1xdx n LYS 39 Ca -0.03 -0.05 0.26 0.00 -0.51 0.00 0.00 58.31 57.98 1xdx n LYS 39 Cb 0.09 -1.58 0.69 0.00 -0.51 0.00 0.00 35.03 33.73 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 0.33 0.00 -0.18 2.07 0.22 1.21 116.25 119.91 1xdx h VAL 40 Ca 0.00 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 67.34 1xdx h VAL 40 Cb 0.79 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 1xdx h VAL 40 CO 0.00 0.00 -1.67 -1.20 0.02 0.00 0.00 177.57 174.72 1xdx n SER 41 N -3.79 2.73 0.08 0.57 7.64 -1.26 -4.51 113.62 115.08 1xdx n SER 41 Ca 0.15 -0.02 -0.02 0.00 1.01 0.00 0.00 58.87 60.00 1xdx n SER 41 Cb 0.95 0.51 0.25 0.00 -1.01 0.00 0.00 64.21 64.91 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 0.30 -0.09 1.43 1.08 -1.41 -2.93 115.11 113.48 1xdx h GLN 42 Ca -0.26 -0.12 0.01 0.00 -1.45 0.00 0.00 58.65 56.83 1xdx h GLN 42 Cb 1.55 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 28.94 1xdx h GLN 42 CO 0.00 0.60 -0.17 -1.49 -0.95 0.00 0.00 178.83 176.82 1xdx h TRP 43 N 0.27 -0.52 -0.02 2.96 6.55 0.12 0.60 115.95 125.91 1xdx h TRP 43 Ca 0.03 0.02 0.01 0.00 0.95 0.00 0.00 58.89 59.90 1xdx h TRP 43 Cb 0.70 0.24 -0.00 0.00 -0.86 0.00 0.00 29.16 29.24 1xdx h TRP 43 CO 0.01 -0.16 0.08 0.00 -1.05 0.00 0.00 178.44 177.33 1xdx h THR 44 N -0.15 0.13 -0.22 1.49 1.03 -1.77 0.16 112.91 113.58 1xdx h THR 44 Ca 0.02 0.00 -0.19 0.00 -0.01 0.00 0.00 66.41 66.22 1xdx h THR 44 Cb 0.19 0.93 0.00 0.00 -1.07 0.00 0.00 68.15 68.20 1xdx h THR 44 CO -0.16 0.00 -0.63 0.77 -0.01 0.00 0.00 175.52 175.49 1xdx h SER 45 N 0.00 0.90 0.07 0.00 4.64 -0.77 -1.39 113.55 117.00 1xdx h SER 45 Ca 0.01 -0.52 -0.10 0.00 -0.47 0.00 0.00 61.79 60.71 1xdx h SER 45 Cb 0.17 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 61.98 1xdx h SER 45 CO -0.00 1.31 -0.31 -1.28 -0.87 0.00 0.00 176.83 175.67 1xdx h SER 46 N 0.58 0.37 -0.64 4.97 0.87 0.64 -1.89 113.55 118.46 1xdx h SER 46 Ca -0.01 -0.13 -0.04 0.00 -1.23 0.00 0.00 61.79 60.37 1xdx h SER 46 Cb 1.24 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 63.07 1xdx h SER 46 CO 0.13 0.67 0.23 0.00 -0.53 0.00 0.00 176.83 177.34 1xdx h LEU 48 N 0.90 0.49 -0.12 0.00 4.07 -0.78 0.90 115.31 120.76 1xdx h LEU 48 Ca 0.21 -0.07 -0.22 0.00 0.08 0.00 0.00 57.88 57.88 1xdx h LEU 48 Cb 0.24 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 41.84 1xdx h LEU 48 CO -0.01 0.51 -0.99 -0.08 -1.08 0.00 0.00 178.44 176.78 1xdx h GLU 49 N 0.52 0.19 -0.03 1.13 4.81 -0.54 0.17 114.58 120.83 1xdx h GLU 49 Ca 0.12 -0.25 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 1xdx h GLU 49 Cb 0.23 0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.70 1xdx h GLU 49 CO -0.00 1.03 0.00 0.72 -0.73 0.00 0.00 179.01 180.03 1xdx n HIS 50 N -3.57 0.03 -0.07 0.92 8.25 0.23 -1.83 115.22 119.18 1xdx n HIS 50 Ca -0.04 -0.02 -0.15 0.00 -0.26 0.00 0.00 57.72 57.25 1xdx n HIS 50 Cb 0.89 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.95 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 -0.54 1.09 -0.22 0.00 -0.00 -0.73 0.50 117.51 117.61 1xdx h ILE 52 Ca -0.34 -0.40 -0.10 0.00 -0.00 0.00 0.00 64.86 64.02 1xdx h ILE 52 Cb 1.25 -0.16 -0.01 0.00 -0.00 0.00 0.00 36.82 37.90 1xdx h ILE 52 CO -0.21 0.21 -0.29 0.11 -0.00 0.00 0.00 178.15 177.97 1xdx h LYS 53 N 1.15 0.44 0.10 2.19 6.56 -1.58 -2.59 116.57 122.85 1xdx h LYS 53 Ca 0.42 -0.18 -0.26 0.00 -1.06 0.00 0.00 60.65 59.57 1xdx h LYS 53 Cb 0.15 -0.02 0.03 0.00 -0.57 0.00 0.00 32.23 31.82 1xdx h LYS 53 CO -0.16 0.69 -1.10 -0.09 -2.06 0.00 0.00 179.45 176.74 1xdx h ARG 54 N 0.39 0.56 -0.70 3.15 9.65 -1.36 -2.43 114.38 123.63 1xdx h ARG 54 Ca 0.05 -0.74 0.09 0.00 -1.10 0.00 0.00 59.98 58.28 1xdx h ARG 54 Cb 0.71 0.24 -0.07 0.00 -1.39 0.00 0.00 29.97 29.46 1xdx h ARG 54 CO 0.05 1.33 0.35 -0.07 2.80 0.00 0.00 179.97 184.43 1xdx h LEU 55 N 0.15 0.47 -0.44 3.80 -0.00 0.02 -0.19 115.31 119.11 1xdx h LEU 55 Ca -0.17 0.06 -0.16 0.00 -0.00 0.00 0.00 57.88 57.61 1xdx h LEU 55 Cb 1.79 -0.02 -0.02 0.00 -0.00 0.00 0.00 40.66 42.41 1xdx h LEU 55 CO 0.21 0.27 -0.75 0.71 -0.00 0.00 0.00 178.44 178.89 1xdx h THR 56 N 0.61 1.49 -0.41 0.22 1.35 -1.54 0.27 112.91 114.89 1xdx h THR 56 Ca 0.34 -2.60 -0.05 0.00 -0.55 0.00 0.00 66.41 63.55 1xdx h THR 56 Cb 0.34 2.42 -0.02 0.00 -1.73 0.00 0.00 68.15 69.16 1xdx h THR 56 CO -0.26 0.73 0.04 0.00 -0.25 0.00 0.00 175.52 175.79 1xdx h ALA 57 N 1.25 1.30 0.00 6.62 0.00 -0.62 -2.28 119.26 125.54 1xdx h ALA 57 Ca -0.01 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 1xdx h ALA 57 Cb 1.36 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1xdx h ALA 57 CO 0.10 0.48 -1.18 -0.07 0.00 0.00 0.00 179.25 178.58 1xdx h LEU 58 N 0.62 0.00 -2.92 0.00 4.07 -0.96 -3.50 115.31 112.62 1xdx h LEU 58 Ca 0.13 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.09 1xdx h LEU 58 Cb 0.32 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.06 1xdx h LEU 58 CO 0.01 0.25 -0.98 -0.46 -1.08 0.00 0.00 178.44 176.18 1xdx n ASN 59 N -2.77 -7.02 -3.07 -0.43 0.23 0.94 -5.04 115.26 98.09 1xdx n ASN 59 Ca -0.04 0.79 0.05 0.00 -0.53 0.00 0.00 54.58 54.85 1xdx n ASN 59 Cb 0.68 -2.94 0.00 0.00 -2.08 0.00 0.00 39.78 35.43 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 -1.19 0.04 0.00 -3.83 2.20 -1.25 -4.93 119.74 110.77 1xdx s LYS 60 Ca -0.00 0.03 0.00 0.00 -0.36 0.00 0.00 55.97 55.63 1xdx s LYS 60 Cb 0.00 0.01 0.00 0.00 -1.51 0.00 0.00 37.83 36.33 1xdx s LYS 60 CO 0.29 -0.07 0.00 -0.35 -0.36 0.00 0.00 175.35 174.86 1xdx n PRO 61 N 4.78 0.00 0.00 4.03 -0.04 -1.26 -4.96 135.00 137.54 1xdx n PRO 61 Ca 0.10 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 1xdx n PRO 61 Cb 0.60 -0.40 0.00 0.00 -0.04 0.00 0.00 33.50 33.65 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 -1.06 -0.22 -1.86 0.54 3.72 -1.24 -5.01 117.46 112.33 1xdx n PHE 62 Ca 0.00 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.13 1xdx n PHE 62 Cb 0.00 0.25 -0.05 0.00 -0.94 0.00 0.00 39.48 38.74 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 -0.50 2.27 -0.38 -1.08 2.20 -0.12 -4.90 119.74 117.24 1xdx s LYS 63 Ca 0.00 0.34 -0.15 0.00 -0.36 0.00 0.00 55.97 55.80 1xdx s LYS 63 Cb 0.00 -4.78 0.00 0.00 -1.51 0.00 0.00 37.83 31.55 1xdx s LYS 63 CO 0.00 -3.48 0.33 0.71 -0.36 0.00 0.00 175.35 172.55 1xdx s TYR 64 N 11.30 3.22 -0.61 4.03 2.02 -1.26 0.51 117.35 136.56 1xdx s TYR 64 Ca 0.79 -0.33 -0.07 0.00 -0.37 0.00 0.00 57.07 57.08 1xdx s TYR 64 Cb -0.11 -2.64 0.16 0.00 -0.40 0.00 0.00 41.96 38.97 1xdx s TYR 64 CO 0.10 -0.52 0.46 0.54 -1.57 0.00 0.00 175.55 174.56 1xdx s VAL 65 N 1.85 4.21 -0.20 0.71 0.11 0.39 -4.97 120.40 122.51 1xdx s VAL 65 Ca 0.08 -2.46 -0.19 0.00 -2.93 0.00 0.00 61.98 56.48 1xdx s VAL 65 Cb -0.18 -3.73 -0.03 0.00 -1.53 0.00 0.00 36.38 30.92 1xdx s VAL 65 CO 0.11 -0.87 0.54 -0.69 -3.33 0.00 0.00 175.10 170.87 1xdx s VAL 66 N 0.48 5.09 0.02 2.04 1.01 -1.26 -1.13 120.40 126.64 1xdx s VAL 66 Ca 0.13 1.00 0.02 0.00 0.00 0.00 0.00 61.98 63.14 1xdx s VAL 66 Cb -0.20 -3.86 -0.01 0.00 0.00 0.00 0.00 36.38 32.30 1xdx s VAL 66 CO -0.04 0.17 -0.08 0.28 0.00 0.00 0.00 175.10 175.43 1xdx s THR 67 N 1.67 0.57 0.09 3.92 -1.32 -0.10 -4.93 115.64 115.53 1xdx s THR 67 Ca 0.25 -0.62 0.04 0.00 -1.21 0.00 0.00 61.69 60.15 1xdx s THR 67 Cb -0.15 -0.54 -0.03 0.00 -1.51 0.00 0.00 72.50 70.26 1xdx s THR 67 CO 0.10 -0.06 -0.11 0.00 -2.21 0.00 0.00 174.62 172.34 1xdx s ILE 69 N -2.19 0.01 0.17 0.00 1.09 0.40 -5.00 121.20 115.67 1xdx s ILE 69 Ca 0.04 0.34 -0.23 0.00 -1.10 0.00 0.00 60.65 59.70 1xdx s ILE 69 Cb -0.04 -0.23 -0.08 0.00 -1.06 0.00 0.00 42.46 41.05 1xdx s ILE 69 CO 0.01 0.19 0.73 0.27 -0.10 0.00 0.00 174.94 176.04 1xdx s ILE 70 N 1.99 4.48 -0.23 2.92 -4.36 -1.26 -1.25 121.20 123.48 1xdx s ILE 70 Ca 0.03 1.51 0.01 0.00 -0.26 0.00 0.00 60.65 61.95 1xdx s ILE 70 Cb -0.12 -4.02 0.06 0.00 1.25 0.00 0.00 42.46 39.62 1xdx s ILE 70 CO -0.03 0.43 -0.08 -0.04 0.24 0.00 0.00 174.94 175.45 1xdx s MET 71 N -1.41 1.93 0.31 0.37 -1.94 0.23 -4.98 119.30 113.81 1xdx s MET 71 Ca 0.37 -1.06 -0.29 0.00 -1.71 0.00 0.00 55.69 53.00 1xdx s MET 71 Cb -0.21 -2.64 -0.12 0.00 2.01 0.00 0.00 34.83 33.87 1xdx s MET 71 CO 0.24 -0.54 1.38 0.94 -0.01 0.00 0.00 175.02 177.02 1xdx n GLN 72 N 4.60 2.21 0.00 2.03 7.27 -1.26 -1.18 117.38 131.05 1xdx n GLN 72 Ca -0.13 0.78 0.00 0.00 0.07 0.00 0.00 57.00 57.72 1xdx n GLN 72 Cb 0.44 -2.42 0.00 0.00 2.41 0.00 0.00 30.24 30.67 1xdx n GLN 72 CO 0.00 0.00 0.00 0.36 0.07 0.00 0.00 177.06 177.49 1xdx n LYS 73 N 1.17 0.00 -2.25 3.69 0.00 -1.25 -4.09 118.16 115.43 1xdx n LYS 73 Ca 0.07 0.00 -0.28 0.00 -0.00 0.00 0.00 58.31 58.10 1xdx n LYS 73 Cb 0.35 0.00 0.01 0.00 -0.00 0.00 0.00 35.03 35.39 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 -3.83 5.20 -0.85 -5.58 6.94 -1.17 -3.86 115.26 112.11 1xdx n ASN 74 Ca 0.00 -3.74 -0.04 0.00 -0.02 0.00 0.00 54.58 50.77 1xdx n ASN 74 Cb 0.00 -0.52 -0.04 0.00 -2.36 0.00 0.00 39.78 36.86 1xdx n ASN 74 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1xdx n GLY 75 N -0.57 0.67 3.73 4.83 0.00 -1.26 -5.12 105.19 107.48 1xdx n GLY 75 Ca 0.43 -0.02 -0.35 0.00 0.00 0.00 0.00 46.02 46.07 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 0.00 3.44 -0.26 4.61 0.00 -1.26 -5.09 121.76 123.20 1xdx s ALA 76 Ca 0.01 -0.76 -0.09 0.00 0.00 0.00 0.00 51.96 51.11 1xdx s ALA 76 Cb 0.01 -1.61 -0.04 0.00 0.00 0.00 0.00 23.12 21.49 1xdx s ALA 76 CO -0.00 0.60 0.13 0.20 0.00 0.00 0.00 175.76 176.68 1xdx s GLY 77 N -0.93 1.85 -0.01 0.00 0.00 -1.26 -5.01 107.32 101.95 1xdx s GLY 77 Ca 0.14 -1.10 0.00 0.00 0.00 0.00 0.00 44.72 43.76 1xdx s GLY 77 CO 0.03 0.58 -0.01 -2.27 0.00 0.00 0.00 173.10 171.43 1xdx s LEU 78 N 1.65 1.70 -0.06 0.66 1.98 -1.26 -5.14 118.68 118.20 1xdx s LEU 78 Ca 0.07 -0.02 -0.00 0.00 -2.89 0.00 0.00 54.13 51.28 1xdx s LEU 78 Cb -0.15 -0.12 0.03 0.00 0.66 0.00 0.00 46.19 46.60 1xdx s LEU 78 CO 0.07 -0.03 -0.02 -1.00 -1.89 0.00 0.00 176.35 173.48 1xdx s HIS 79 N 0.34 0.74 0.04 5.38 3.76 -1.26 -5.14 115.29 119.14 1xdx s HIS 79 Ca -0.03 -0.21 0.02 0.00 -0.15 0.00 0.00 55.06 54.69 1xdx s HIS 79 Cb -0.05 -0.75 -0.04 0.00 1.11 0.00 0.00 32.58 32.84 1xdx s HIS 79 CO -0.01 -0.27 0.04 0.99 -0.85 0.00 0.00 174.74 174.64 1xdx s THR 80 N 1.48 4.39 0.01 1.30 2.01 -1.26 -5.12 115.64 118.44 1xdx s THR 80 Ca -0.02 -0.68 0.02 0.00 0.31 0.00 0.00 61.69 61.31 1xdx s THR 80 Cb -0.13 -3.04 -0.01 0.00 0.01 0.00 0.00 72.50 69.32 1xdx s THR 80 CO -0.03 0.24 -0.06 0.00 -0.69 0.00 0.00 174.62 174.09 1xdx s ALA 81 N -1.25 0.43 -0.27 7.40 0.00 -1.26 -5.15 121.76 121.67 1xdx s ALA 81 Ca 0.25 -0.41 -0.14 0.00 0.00 0.00 0.00 51.96 51.65 1xdx s ALA 81 Cb -0.12 -0.04 0.08 0.00 0.00 0.00 0.00 23.12 23.05 1xdx s ALA 81 CO 0.16 0.04 0.65 0.00 0.00 0.00 0.00 175.76 176.61 1xdx s ALA 82 N -0.60 -1.78 -0.31 0.00 0.00 -1.26 -5.13 121.76 112.67 1xdx s ALA 82 Ca -0.03 2.29 -0.16 0.00 0.00 0.00 0.00 51.96 54.06 1xdx s ALA 82 Cb -0.05 -1.41 -0.02 0.00 0.00 0.00 0.00 23.12 21.64 1xdx s ALA 82 CO -0.00 -0.43 0.42 0.45 0.00 0.00 0.00 175.76 176.19 1xdx s SER 83 N 1.77 6.26 -0.17 0.00 0.15 -1.26 -5.06 113.70 115.40 1xdx s SER 83 Ca -0.09 0.07 -0.06 0.00 0.70 0.00 0.00 55.95 56.57 1xdx s SER 83 Cb -0.06 -2.23 -0.04 0.00 -1.71 0.00 0.00 66.02 61.98 1xdx s SER 83 CO -0.19 -0.31 0.03 0.00 1.20 0.00 0.00 173.24 173.97 1xdx h TRP 85 N 6.53 0.00 -1.22 0.00 7.01 -2.05 -3.46 115.95 122.76 1xdx h TRP 85 Ca -0.37 0.00 -0.65 0.00 2.11 0.00 0.00 58.89 59.98 1xdx h TRP 85 Cb 1.18 0.00 -0.13 0.00 -2.10 0.00 0.00 29.16 28.11 1xdx h TRP 85 CO 0.56 0.87 -0.57 -1.58 -2.79 0.00 0.00 178.44 174.93 1xdx s TRP 86 N -3.00 2.30 0.00 2.65 0.52 -1.26 -5.04 118.94 115.11 1xdx s TRP 86 Ca 0.00 -0.77 0.00 0.00 0.02 0.00 0.00 56.10 55.36 1xdx s TRP 86 Cb 0.11 -1.72 0.00 0.00 -1.15 0.00 0.00 33.47 30.70 1xdx s TRP 86 CO 0.80 0.38 0.00 -3.47 0.02 0.00 0.00 176.95 174.68 1xdx n ASP 87 N -1.07 0.00 0.21 2.95 2.03 -1.26 -4.77 116.55 114.63 1xdx n ASP 87 Ca -0.10 0.00 0.06 0.00 0.52 0.00 0.00 54.79 55.27 1xdx n ASP 87 Cb 0.67 0.17 0.53 0.00 -0.72 0.00 0.00 41.12 41.77 1xdx n ASP 87 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 1xdx h SER 88 N 0.00 0.07 0.00 1.67 4.64 -1.96 -2.92 113.55 115.04 1xdx h SER 88 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1xdx h SER 88 Cb 0.00 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 1xdx h SER 88 CO 0.00 0.16 -1.69 1.07 -0.87 0.00 0.00 176.83 175.50 1xdx n THR 89 N -4.40 0.00 -0.80 2.95 5.66 -1.26 -4.48 114.28 111.95 1xdx n THR 89 Ca -0.02 -0.36 -0.20 0.00 -3.05 0.00 0.00 64.05 60.42 1xdx n THR 89 Cb 0.18 0.17 0.11 0.00 -1.55 0.00 0.00 70.33 69.24 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 -2.03 2.82 0.00 1.09 -2.24 -1.11 -1.17 114.28 111.64 1xdx n THR 90 Ca -0.03 -1.68 0.00 0.00 -2.27 0.00 0.00 64.05 60.07 1xdx n THR 90 Cb 0.41 -0.78 0.00 0.00 -2.10 0.00 0.00 70.33 67.86 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 -0.62 0.00 0.00 3.42 2.03 -1.17 -4.09 116.55 116.12 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 1.17 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.57 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 0.57 1.36 0.27 0.00 -1.25 -4.82 105.19 101.31 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 1.44 0.00 0.00 0.00 173.32 174.76 1xdx n SER 93 N 0.00 -7.44 -3.77 1.61 7.64 -1.26 -5.04 113.62 105.37 1xdx n SER 93 Ca 0.00 1.01 -0.19 0.00 1.01 0.00 0.00 58.87 60.71 1xdx n SER 93 Cb 0.00 -3.63 -0.17 0.00 -1.01 0.00 0.00 64.21 59.40 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 -3.31 0.25 0.09 1.43 6.06 -0.47 -4.98 118.95 118.02 1xdx s ARG 94 Ca 0.00 0.17 0.01 0.00 -2.50 0.00 0.00 55.73 53.41 1xdx s ARG 94 Cb 0.00 -0.58 -0.04 0.00 0.06 0.00 0.00 34.95 34.39 1xdx s ARG 94 CO 0.00 -0.22 0.21 -0.08 -2.50 0.00 0.00 175.30 172.71 1xdx s THR 95 N 1.51 5.24 -0.14 4.11 -1.32 -1.26 0.24 115.64 124.02 1xdx s THR 95 Ca -0.03 -0.54 -0.02 0.00 -1.21 0.00 0.00 61.69 59.89 1xdx s THR 95 Cb -0.13 -3.60 0.04 0.00 -1.51 0.00 0.00 72.50 67.31 1xdx s THR 95 CO -0.03 0.06 0.01 -0.69 -2.21 0.00 0.00 174.62 171.77 1xdx s VAL 96 N -1.57 0.55 -0.52 5.08 1.01 0.15 -3.32 120.40 121.78 1xdx s VAL 96 Ca 0.34 -0.31 -0.28 0.00 0.00 0.00 0.00 61.98 61.74 1xdx s VAL 96 Cb -0.12 -0.88 0.03 0.00 0.00 0.00 0.00 36.38 35.41 1xdx s VAL 96 CO 0.27 0.02 1.10 -0.13 0.00 0.00 0.00 175.10 176.36 1xdx s ARG 97 N 1.87 3.58 -0.03 2.72 1.81 -1.26 0.31 118.95 127.96 1xdx s ARG 97 Ca 0.02 0.31 0.04 0.00 -1.72 0.00 0.00 55.73 54.38 1xdx s ARG 97 Cb -0.15 -3.96 -0.03 0.00 -0.45 0.00 0.00 34.95 30.36 1xdx s ARG 97 CO -0.07 -1.47 -0.15 -0.46 -0.68 0.00 0.00 175.30 172.47 1xdx s TRP 98 N 4.46 2.67 0.17 -0.53 -0.00 0.12 -4.13 118.94 121.70 1xdx s TRP 98 Ca 0.43 -0.18 -0.00 0.00 -0.00 0.00 0.00 56.10 56.34 1xdx s TRP 98 Cb -0.08 -1.59 -0.04 0.00 -0.00 0.00 0.00 33.47 31.75 1xdx s TRP 98 CO 0.28 0.20 0.08 -1.21 -0.00 0.00 0.00 176.95 176.30 1xdx s GLU 99 N -0.88 1.10 0.12 5.86 8.01 -1.25 0.38 118.70 132.04 1xdx s GLU 99 Ca 0.12 -1.56 0.00 0.00 0.01 0.00 0.00 54.97 53.55 1xdx s GLU 99 Cb -0.11 0.15 0.00 0.00 -4.31 0.00 0.00 34.13 29.86 1xdx s GLU 99 CO 0.02 -0.30 0.00 0.27 0.01 0.00 0.00 175.26 175.26 1xdx n ASN 100 N -0.22 0.49 0.00 -0.19 6.94 -1.24 -1.16 115.26 119.89 1xdx n ASN 100 Ca -0.02 0.19 0.00 0.00 -0.02 0.00 0.00 54.58 54.72 1xdx n ASN 100 Cb 0.65 -0.06 0.00 0.00 -2.36 0.00 0.00 39.78 38.00 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 -3.21 0.00 0.00 -3.83 0.00 -1.26 -0.04 118.16 109.82 1xdx n LYS 101 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 1xdx n LYS 101 Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 35.03 34.92 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 -2.23 0.22 -4.64 3.14 2.88 -1.26 -4.73 113.62 107.00 1xdx n SER 102 Ca 0.00 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.11 1xdx n SER 102 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 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 -1.74 3.96 -0.24 -1.46 0.00 -1.26 -3.03 119.30 115.53 1xdx s MET 103 Ca 0.00 1.65 -0.19 0.00 0.00 0.00 0.00 55.69 57.15 1xdx s MET 103 Cb 0.00 -3.94 -0.03 0.00 0.00 0.00 0.00 34.83 30.86 1xdx s MET 103 CO 0.00 -1.08 0.56 0.71 0.00 0.00 0.00 175.02 175.20 1xdx s TYR 104 N 4.54 3.31 -0.27 4.11 1.51 -0.32 -3.73 117.35 126.51 1xdx s TYR 104 Ca 0.65 0.75 -0.01 0.00 -1.01 0.00 0.00 57.07 57.45 1xdx s TYR 104 Cb -0.24 -2.74 0.04 0.00 -0.11 0.00 0.00 41.96 38.90 1xdx s TYR 104 CO 0.25 -0.23 -0.04 0.00 -1.11 0.00 0.00 175.55 174.42 1xdx s ILE 106 N 1.29 4.94 -0.32 0.00 2.07 -0.38 -0.71 121.20 128.10 1xdx s ILE 106 Ca -0.02 0.72 -0.04 0.00 -1.41 0.00 0.00 60.65 59.89 1xdx s ILE 106 Cb -0.18 -4.00 0.04 0.00 0.13 0.00 0.00 42.46 38.45 1xdx s ILE 106 CO -0.03 -0.18 0.05 0.00 -1.91 0.00 0.00 174.94 172.87 1xdx s THR 108 N 1.35 3.40 -0.03 0.00 -1.32 0.54 0.29 115.64 119.87 1xdx s THR 108 Ca -0.03 -1.43 0.01 0.00 -1.21 0.00 0.00 61.69 59.04 1xdx s THR 108 Cb -0.19 -2.65 0.02 0.00 -1.51 0.00 0.00 72.50 68.17 1xdx s THR 108 CO 0.01 -0.01 -0.03 -0.69 -2.21 0.00 0.00 174.62 171.69 1xdx s VAL 109 N -1.49 0.36 -0.32 5.08 1.01 0.14 -0.93 120.40 124.26 1xdx s VAL 109 Ca 0.24 -0.08 0.03 0.00 0.00 0.00 0.00 61.98 62.17 1xdx s VAL 109 Cb -0.10 -0.38 0.09 0.00 0.00 0.00 0.00 36.38 35.99 1xdx s VAL 109 CO 0.15 0.16 0.03 -0.36 0.00 0.00 0.00 175.10 175.08 1xdx s PHE 110 N 0.62 3.31 -1.21 5.22 0.08 -0.28 -1.37 117.98 124.34 1xdx s PHE 110 Ca -0.07 -2.64 -0.15 0.00 0.12 0.00 0.00 56.93 54.19 1xdx s PHE 110 Cb -0.10 -2.52 0.14 0.00 -0.57 0.00 0.00 43.02 39.97 1xdx s PHE 110 CO -0.01 -0.92 1.49 0.20 -0.10 0.00 0.00 175.22 175.89 1xdx s GLY 111 N 1.06 2.19 0.18 4.36 0.00 -1.26 -0.46 107.32 113.40 1xdx s GLY 111 Ca 0.07 -3.22 -0.30 0.00 0.00 0.00 0.00 44.72 41.27 1xdx s GLY 111 CO -0.10 2.22 0.97 1.08 0.00 0.00 0.00 173.10 177.27 1xdx s LEU 112 N 2.30 4.57 -1.30 0.66 1.02 0.18 -4.13 118.68 121.98 1xdx s LEU 112 Ca 0.45 1.91 -0.16 0.00 0.02 0.00 0.00 54.13 56.35 1xdx s LEU 112 Cb -0.01 -3.60 0.10 0.00 0.02 0.00 0.00 46.19 42.69 1xdx s LEU 112 CO 0.01 0.03 1.76 0.00 0.02 0.00 0.00 176.35 178.17 1xdx n ALA 113 N 2.07 4.07 -1.09 4.21 0.00 -0.32 -0.94 120.51 128.51 1xdx n ALA 113 Ca 0.00 -3.98 0.00 0.00 0.00 0.00 0.00 53.44 49.46 1xdx n ALA 113 Cb 0.48 -3.43 0.00 0.00 0.00 0.00 0.00 19.45 16.50 1xdx n ALA 113 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61