#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 4.05 0.00 0.03 2.12 -1.26 -4.86 118.70 118.78 1xdx s GLU 2 Ca 0.00 2.09 0.00 0.00 0.36 0.00 0.00 54.97 57.42 1xdx s GLU 2 Cb 0.00 -2.79 0.00 0.00 0.26 0.00 0.00 34.13 31.60 1xdx s GLU 2 CO 0.00 -0.40 0.00 0.41 -0.54 0.00 0.00 175.26 174.73 1xdx n GLY 3 N 0.69 -0.34 3.68 -1.50 0.00 -1.26 -5.13 105.19 101.34 1xdx n GLY 3 Ca 0.03 0.61 -0.36 0.00 0.00 0.00 0.00 46.02 46.30 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 5.35 -0.57 1.61 1.01 -1.26 -4.64 120.40 121.89 1xdx s VAL 4 Ca 0.00 0.28 0.04 0.00 0.00 0.00 0.00 61.98 62.30 1xdx s VAL 4 Cb 0.00 -3.53 0.16 0.00 0.00 0.00 0.00 36.38 33.00 1xdx s VAL 4 CO 0.00 0.36 0.38 -0.62 0.00 0.00 0.00 175.10 175.22 1xdx s ASP 5 N 0.85 3.93 0.16 3.32 -1.08 0.14 -4.95 116.67 119.04 1xdx s ASP 5 Ca 0.10 -3.35 -0.31 0.00 -0.52 0.00 0.00 52.55 48.46 1xdx s ASP 5 Cb -0.13 -1.31 -0.10 0.00 -1.46 0.00 0.00 42.92 39.91 1xdx s ASP 5 CO 0.03 -0.16 1.68 -2.16 0.52 0.00 0.00 175.17 175.09 1xdx s PRO 6 N -0.67 4.17 -0.29 4.34 0.04 -1.20 -4.03 135.00 137.36 1xdx s PRO 6 Ca 0.24 2.48 -0.01 0.00 0.04 0.00 0.00 61.00 63.75 1xdx s PRO 6 Cb -0.10 -3.28 0.00 0.00 0.04 0.00 0.00 34.50 31.16 1xdx s PRO 6 CO -0.11 -0.72 0.05 0.00 0.04 0.00 0.00 177.00 176.26 1xdx n ALA 7 N 4.54 -3.40 -0.07 8.56 0.00 -0.32 -4.98 120.51 124.84 1xdx n ALA 7 Ca 0.16 0.51 -0.09 0.00 0.00 0.00 0.00 53.44 54.01 1xdx n ALA 7 Cb 0.38 -1.14 -0.03 0.00 0.00 0.00 0.00 19.45 18.65 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 0.53 1.43 -3.26 0.00 0.31 -1.26 -4.80 118.33 111.27 1xdx n VAL 8 Ca 0.01 0.14 -0.32 0.00 -0.01 0.00 0.00 64.34 64.16 1xdx n VAL 8 Cb 0.04 -2.16 -0.05 0.00 -0.91 0.00 0.00 33.84 30.76 1xdx n VAL 8 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1xdx n GLU 9 N -4.24 3.23 -1.67 5.55 1.02 -1.26 -5.06 120.64 118.21 1xdx n GLU 9 Ca -0.15 -4.64 -0.47 0.00 -0.02 0.00 0.00 57.16 51.88 1xdx n GLU 9 Cb 0.46 -2.35 -0.04 0.00 -0.02 0.00 0.00 31.44 29.49 1xdx n GLU 9 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1xdx n GLU 10 N 0.97 2.15 -4.19 3.49 2.13 -1.25 -4.46 120.64 119.47 1xdx n GLU 10 Ca 0.29 0.78 -0.23 0.00 0.66 0.00 0.00 57.16 58.66 1xdx n GLU 10 Cb 0.38 -2.59 -0.06 0.00 0.27 0.00 0.00 31.44 29.44 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 2.56 3.35 0.59 4.31 0.00 -1.24 -4.95 121.76 126.37 1xdx s ALA 11 Ca 0.86 -1.67 0.00 0.00 0.00 0.00 0.00 51.96 51.15 1xdx s ALA 11 Cb -0.69 -0.85 0.00 0.00 0.00 0.00 0.00 23.12 21.58 1xdx s ALA 11 CO 0.45 0.18 0.00 0.00 0.00 0.00 0.00 175.76 176.39 1xdx n ALA 12 N -1.03 -3.02 -1.80 0.00 0.00 -1.24 -4.60 120.51 108.81 1xdx n ALA 12 Ca -0.05 0.73 0.00 0.00 0.00 0.00 0.00 53.44 54.12 1xdx n ALA 12 Cb 0.60 -1.50 0.00 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 -3.66 0.00 -4.36 0.00 7.35 -1.26 -5.06 117.46 110.47 1xdx n PHE 13 Ca -0.06 0.00 -0.22 0.00 -0.76 0.00 0.00 57.45 56.42 1xdx n PHE 13 Cb 0.58 0.00 -0.11 0.00 0.35 0.00 0.00 39.48 40.31 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 1.92 -1.15 -2.13 1.01 -1.26 -4.82 120.40 113.97 1xdx s VAL 14 Ca 0.00 -2.05 -0.04 0.00 0.00 0.00 0.00 61.98 59.88 1xdx s VAL 14 Cb 0.00 -1.97 -0.03 0.00 0.00 0.00 0.00 36.38 34.39 1xdx s VAL 14 CO 0.00 -0.38 0.90 0.00 0.00 0.00 0.00 175.10 175.62 1xdx n ALA 15 N 0.02 -2.26 0.12 5.51 0.00 -1.26 -4.76 120.51 117.88 1xdx n ALA 15 Ca -0.11 -0.02 0.15 0.00 0.00 0.00 0.00 53.44 53.47 1xdx n ALA 15 Cb 0.58 -3.86 0.68 0.00 0.00 0.00 0.00 19.45 16.85 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 -1.57 0.00 -0.22 0.00 3.04 -1.98 -0.66 116.42 115.03 1xdx h ASP 16 Ca -0.61 0.00 0.04 0.00 -3.24 0.00 0.00 57.03 53.22 1xdx h ASP 16 Cb 1.33 0.00 -0.04 0.00 -1.04 0.00 0.00 39.33 39.59 1xdx h ASP 16 CO 0.48 0.00 -0.02 0.44 -2.04 0.00 0.00 179.24 178.10 1xdx h ASP 17 N 0.00 -0.13 0.87 4.15 5.19 -2.01 -1.17 116.42 123.32 1xdx h ASP 17 Ca 0.14 0.05 -0.23 0.00 -0.62 0.00 0.00 57.03 56.37 1xdx h ASP 17 Cb 0.58 0.10 -0.02 0.00 0.18 0.00 0.00 39.33 40.17 1xdx h ASP 17 CO -0.00 -0.04 -1.11 0.58 -3.12 0.00 0.00 179.24 175.55 1xdx h VAL 18 N 0.04 1.61 -0.77 -1.35 2.07 -1.77 -3.24 116.25 112.85 1xdx h VAL 18 Ca 0.10 -3.29 0.03 0.00 0.82 0.00 0.00 66.70 64.36 1xdx h VAL 18 Cb 0.14 2.85 -0.05 0.00 -1.52 0.00 0.00 31.29 32.72 1xdx h VAL 18 CO -0.19 0.93 0.49 0.77 0.02 0.00 0.00 177.57 179.59 1xdx h SER 19 N 0.02 0.81 -0.22 0.57 4.64 -0.82 -2.12 113.55 116.43 1xdx h SER 19 Ca -0.06 -0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.15 1xdx h SER 19 Cb 1.84 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 63.75 1xdx h SER 19 CO 0.15 0.56 -0.27 -0.55 -0.87 0.00 0.00 176.83 175.84 1xdx h ASN 20 N 0.95 0.63 0.11 4.97 7.08 -1.32 -2.78 115.58 125.22 1xdx h ASN 20 Ca 0.31 -0.50 0.02 0.00 -3.08 0.00 0.00 56.30 53.05 1xdx h ASN 20 Cb 0.01 -0.18 -0.03 0.00 -2.08 0.00 0.00 38.32 36.04 1xdx h ASN 20 CO -0.11 1.00 -0.24 0.40 -2.08 0.00 0.00 177.43 176.40 1xdx h ILE 21 N 0.27 0.47 -0.16 6.14 2.04 -1.53 0.17 117.51 124.91 1xdx h ILE 21 Ca 0.03 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.89 1xdx h ILE 21 Cb 0.84 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 1xdx h ILE 21 CO 0.07 0.00 0.10 0.16 0.00 0.00 0.00 178.15 178.47 1xdx h ILE 22 N -0.43 1.08 0.07 -0.67 3.07 -1.47 0.22 117.51 119.37 1xdx h ILE 22 Ca 0.03 -0.19 -0.00 0.00 1.55 0.00 0.00 64.86 66.25 1xdx h ILE 22 Cb 0.46 0.91 0.00 0.00 -0.27 0.00 0.00 36.82 37.92 1xdx h ILE 22 CO -0.14 0.07 -0.03 0.11 -1.05 0.00 0.00 178.15 177.11 1xdx h LYS 23 N 0.19 -0.09 -0.73 0.16 1.57 -1.36 0.43 116.57 116.74 1xdx h LYS 23 Ca 0.06 0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.92 1xdx h LYS 23 Cb 0.03 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.31 1xdx h LYS 23 CO -0.01 0.01 0.48 0.93 -0.57 0.00 0.00 179.45 180.29 1xdx h GLU 24 N -0.16 0.71 -0.36 3.15 5.08 -0.56 0.08 114.58 122.52 1xdx h GLU 24 Ca -0.01 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.23 1xdx h GLU 24 Cb 0.14 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1xdx h GLU 24 CO 0.02 0.47 -0.07 1.03 -1.00 0.00 0.00 179.01 179.46 1xdx h SER 25 N 0.73 0.68 -0.96 1.42 0.87 0.17 -2.66 113.55 113.80 1xdx h SER 25 Ca 0.32 -0.35 0.04 0.00 -1.23 0.00 0.00 61.79 60.57 1xdx h SER 25 Cb 0.31 -0.18 -0.06 0.00 -0.44 0.00 0.00 62.40 62.02 1xdx h SER 25 CO -0.11 0.87 0.62 0.40 -0.53 0.00 0.00 176.83 178.09 1xdx h ILE 26 N 0.48 1.14 -0.73 2.23 5.03 0.16 1.44 117.51 127.26 1xdx h ILE 26 Ca 0.09 -0.41 0.03 0.00 -0.12 0.00 0.00 64.86 64.45 1xdx h ILE 26 Cb 0.56 -0.15 -0.04 0.00 -3.03 0.00 0.00 36.82 34.16 1xdx h ILE 26 CO 0.03 0.22 0.48 -0.78 -0.68 0.00 0.00 178.15 177.42 1xdx h ASP 27 N 1.19 0.78 0.17 1.72 3.58 -0.85 -1.81 116.42 121.21 1xdx h ASP 27 Ca 0.39 -0.01 -0.36 0.00 0.42 0.00 0.00 57.03 57.47 1xdx h ASP 27 Cb 0.04 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 40.89 1xdx h ASP 27 CO -0.13 0.55 -1.94 0.00 -2.88 0.00 0.00 179.24 174.84 1xdx h ALA 28 N 1.57 0.44 0.00 -0.78 0.00 -0.78 -1.26 119.26 118.44 1xdx h ALA 28 Ca 0.28 -1.37 0.00 0.00 0.00 0.00 0.00 54.91 53.82 1xdx h ALA 28 Cb 0.01 0.65 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1xdx h ALA 28 CO -0.08 1.31 0.00 0.28 0.00 0.00 0.00 179.25 180.76 1xdx n VAL 29 N -3.45 0.93 0.00 0.00 0.31 0.48 -0.93 118.33 115.66 1xdx n VAL 29 Ca -0.29 0.23 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 1xdx n VAL 29 Cb 1.05 -1.01 0.00 0.00 -0.91 0.00 0.00 33.84 32.97 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 -1.41 0.68 0.03 7.52 7.99 -0.69 -4.63 117.00 126.49 1xdx n LEU 30 Ca 0.04 0.00 0.12 0.00 -0.01 0.00 0.00 56.01 56.16 1xdx n LEU 30 Cb 0.13 0.00 0.18 0.00 -0.11 0.00 0.00 43.42 43.62 1xdx n LEU 30 CO 0.11 0.11 0.34 1.67 -1.51 0.00 0.00 177.39 178.12 1xdx n GLN 31 N -1.90 0.19 -0.68 3.23 7.27 -0.48 -4.32 117.38 120.69 1xdx n GLN 31 Ca 0.00 0.04 0.52 0.00 0.07 0.00 0.00 57.00 57.63 1xdx n GLN 31 Cb 0.41 -1.60 0.81 0.00 2.41 0.00 0.00 30.24 32.26 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 0.03 0.00 1.69 7.08 -1.21 -3.40 115.58 119.77 1xdx h ASN 32 Ca 0.00 0.02 0.00 0.00 -3.08 0.00 0.00 56.30 53.24 1xdx h ASN 32 Cb 0.65 0.02 0.00 0.00 -2.08 0.00 0.00 38.32 36.92 1xdx h ASN 32 CO 0.00 -0.04 0.00 1.67 -2.08 0.00 0.00 177.43 176.98 1xdx n GLN 33 N -4.05 0.00 -3.99 4.14 -0.06 -1.26 -5.13 117.38 107.02 1xdx n GLN 33 Ca 0.44 0.00 -0.17 0.00 -2.00 0.00 0.00 57.00 55.27 1xdx n GLN 33 Cb 1.96 0.00 -0.06 0.00 -4.06 0.00 0.00 30.24 28.08 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 0.42 -2.98 3.69 7.27 -1.26 -5.12 117.38 119.39 1xdx n GLN 34 Ca 0.00 -2.96 -0.43 0.00 0.07 0.00 0.00 57.00 53.69 1xdx n GLN 34 Cb 0.00 2.49 -0.06 0.00 2.41 0.00 0.00 30.24 35.09 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 -3.21 3.04 -0.07 3.69 6.14 -1.26 -4.87 117.35 120.82 1xdx s TYR 35 Ca 0.35 0.28 0.01 0.00 0.64 0.00 0.00 57.07 58.34 1xdx s TYR 35 Cb 0.01 -3.52 0.02 0.00 0.42 0.00 0.00 41.96 38.89 1xdx s TYR 35 CO 0.25 -0.87 -0.05 -1.12 0.64 0.00 0.00 175.55 174.39 1xdx s SER 36 N 2.01 1.43 0.21 4.32 0.01 -1.26 -5.03 113.70 115.39 1xdx s SER 36 Ca 0.29 -0.18 -0.09 0.00 1.31 0.00 0.00 55.95 57.29 1xdx s SER 36 Cb -0.13 -0.58 0.14 0.00 0.21 0.00 0.00 66.02 65.66 1xdx s SER 36 CO 0.20 -0.08 1.78 -0.08 0.41 0.00 0.00 173.24 175.47 1xdx h GLU 37 N 7.54 1.12 -0.23 12.44 4.57 -1.98 0.58 114.58 138.62 1xdx h GLU 37 Ca -0.32 -0.19 0.07 0.00 -1.18 0.00 0.00 59.36 57.74 1xdx h GLU 37 Cb 1.15 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 29.54 1xdx h GLU 37 CO 0.42 0.90 0.19 0.00 -1.18 0.00 0.00 179.01 179.34 1xdx h ALA 38 N 1.16 2.10 0.00 2.92 0.00 -2.03 -0.53 119.26 122.88 1xdx h ALA 38 Ca 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1xdx h ALA 38 Cb 0.19 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1xdx h ALA 38 CO -0.02 -0.31 -1.53 1.63 0.00 0.00 0.00 179.25 179.02 1xdx n LYS 39 N -4.25 0.45 -0.08 0.00 4.01 -0.73 -4.11 118.16 113.46 1xdx n LYS 39 Ca 0.03 -0.11 0.26 0.00 -0.51 0.00 0.00 58.31 57.98 1xdx n LYS 39 Cb 0.33 -1.49 0.69 0.00 -0.51 0.00 0.00 35.03 34.05 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 0.18 1.00 116.25 119.64 1xdx h VAL 40 Ca 0.00 0.00 -0.37 0.00 0.82 0.00 0.00 66.70 67.15 1xdx h VAL 40 Cb 0.76 0.46 -0.06 0.00 -1.52 0.00 0.00 31.29 30.93 1xdx h VAL 40 CO 0.00 0.00 -2.32 -1.20 0.02 0.00 0.00 177.57 174.07 1xdx n SER 41 N -3.77 2.01 0.10 0.57 7.64 -1.25 -4.28 113.62 114.64 1xdx n SER 41 Ca 0.15 0.06 0.04 0.00 1.01 0.00 0.00 58.87 60.13 1xdx n SER 41 Cb 0.96 -0.51 0.47 0.00 -1.01 0.00 0.00 64.21 64.12 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 -0.37 0.32 0.51 1.43 7.50 -1.49 -2.82 115.11 120.18 1xdx h GLN 42 Ca -0.55 -0.03 -0.02 0.00 0.50 0.00 0.00 58.65 58.54 1xdx h GLN 42 Cb 1.68 -0.06 0.00 0.00 0.05 0.00 0.00 27.48 29.15 1xdx h GLN 42 CO -0.20 0.27 -0.24 -1.49 -1.50 0.00 0.00 178.83 175.66 1xdx h TRP 43 N 0.32 -0.63 -0.32 2.96 -0.00 0.79 -2.10 115.95 116.96 1xdx h TRP 43 Ca 0.08 -0.01 0.09 0.00 -0.00 0.00 0.00 58.89 59.05 1xdx h TRP 43 Cb 0.08 0.21 -0.01 0.00 -0.00 0.00 0.00 29.16 29.44 1xdx h TRP 43 CO 0.00 -0.37 0.38 0.00 -0.00 0.00 0.00 178.44 178.46 1xdx h THR 44 N -0.74 0.35 -0.23 1.49 1.03 -1.68 1.06 112.91 114.19 1xdx h THR 44 Ca -0.07 0.00 -0.20 0.00 -0.01 0.00 0.00 66.41 66.13 1xdx h THR 44 Cb 0.55 0.69 0.00 0.00 -1.07 0.00 0.00 68.15 68.32 1xdx h THR 44 CO 0.11 0.00 -0.65 0.28 -0.01 0.00 0.00 175.52 175.25 1xdx h SER 45 N 0.00 0.96 -0.22 0.00 0.02 -1.30 -1.14 113.55 111.88 1xdx h SER 45 Ca 0.15 -0.57 -0.04 0.00 -0.84 0.00 0.00 61.79 60.49 1xdx h SER 45 Cb 0.92 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 63.16 1xdx h SER 45 CO -0.00 1.37 0.01 0.28 -1.14 0.00 0.00 176.83 177.35 1xdx h SER 46 N 0.61 0.46 -0.67 3.07 0.02 0.17 -0.34 113.55 116.88 1xdx h SER 46 Ca -0.02 -0.08 -0.06 0.00 -0.84 0.00 0.00 61.79 60.79 1xdx h SER 46 Cb 1.27 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 63.66 1xdx h SER 46 CO 0.14 0.52 0.18 0.00 -1.14 0.00 0.00 176.83 176.53 1xdx h LEU 48 N 0.99 0.91 -0.20 0.00 4.07 0.08 1.14 115.31 122.30 1xdx h LEU 48 Ca 0.21 -0.08 -0.21 0.00 0.08 0.00 0.00 57.88 57.89 1xdx h LEU 48 Cb 0.35 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 41.85 1xdx h LEU 48 CO -0.00 0.74 -0.93 -0.08 -1.08 0.00 0.00 178.44 177.09 1xdx h GLU 49 N 1.02 0.18 -0.15 1.13 4.81 -0.40 0.60 114.58 121.77 1xdx h GLU 49 Ca 0.26 -0.22 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1xdx h GLU 49 Cb 0.05 0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.49 1xdx h GLU 49 CO -0.04 0.99 0.00 0.72 -0.73 0.00 0.00 179.01 179.95 1xdx n HIS 50 N -3.61 0.20 -0.03 0.92 8.25 0.21 -1.93 115.22 119.23 1xdx n HIS 50 Ca -0.04 -0.10 -0.08 0.00 -0.26 0.00 0.00 57.72 57.24 1xdx n HIS 50 Cb 0.85 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.93 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 -0.39 1.04 -0.12 0.00 -0.00 0.12 0.45 117.51 118.61 1xdx h ILE 52 Ca -0.15 -0.31 -0.13 0.00 -0.00 0.00 0.00 64.86 64.27 1xdx h ILE 52 Cb 0.84 0.04 -0.01 0.00 -0.00 0.00 0.00 36.82 37.69 1xdx h ILE 52 CO -0.09 0.17 -0.48 0.11 -0.00 0.00 0.00 178.15 177.85 1xdx h LYS 53 N 0.92 0.31 0.06 2.19 6.56 -1.58 -2.60 116.57 122.41 1xdx h LYS 53 Ca 0.37 -0.17 -0.21 0.00 -1.06 0.00 0.00 60.65 59.57 1xdx h LYS 53 Cb 0.25 0.01 0.02 0.00 -0.57 0.00 0.00 32.23 31.94 1xdx h LYS 53 CO -0.13 0.73 -0.87 -0.09 -2.06 0.00 0.00 179.45 177.03 1xdx h ARG 54 N 0.24 0.49 -0.71 3.15 9.65 -1.30 0.26 114.38 126.16 1xdx h ARG 54 Ca 0.01 -0.60 0.09 0.00 -1.10 0.00 0.00 59.98 58.38 1xdx h ARG 54 Cb 0.94 0.19 -0.07 0.00 -1.39 0.00 0.00 29.97 29.64 1xdx h ARG 54 CO 0.08 1.23 0.36 -0.07 2.80 0.00 0.00 179.97 184.37 1xdx h LEU 55 N 0.01 0.48 -0.11 3.80 -0.00 -0.15 0.11 115.31 119.44 1xdx h LEU 55 Ca -0.12 0.06 -0.14 0.00 -0.00 0.00 0.00 57.88 57.68 1xdx h LEU 55 Cb 1.58 -0.03 -0.02 0.00 -0.00 0.00 0.00 40.66 42.20 1xdx h LEU 55 CO 0.17 0.28 -0.65 0.71 -0.00 0.00 0.00 178.44 178.95 1xdx h THR 56 N 0.62 1.15 -0.41 0.22 1.35 -1.53 0.14 112.91 114.45 1xdx h THR 56 Ca 0.35 -2.53 -0.03 0.00 -0.55 0.00 0.00 66.41 63.65 1xdx h THR 56 Cb 0.35 2.50 -0.02 0.00 -1.73 0.00 0.00 68.15 69.25 1xdx h THR 56 CO -0.26 0.64 0.14 0.00 -0.25 0.00 0.00 175.52 175.79 1xdx h ALA 57 N 1.35 1.47 0.00 6.62 0.00 0.13 -2.50 119.26 126.34 1xdx h ALA 57 Ca -0.01 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 1xdx h ALA 57 Cb 1.45 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 1xdx h ALA 57 CO 0.08 0.40 -1.74 1.28 0.00 0.00 0.00 179.25 179.28 1xdx n LEU 58 N -4.35 0.38 -2.96 0.00 4.32 -0.01 -5.06 117.00 109.32 1xdx n LEU 58 Ca 0.03 0.16 -0.01 0.00 -0.02 0.00 0.00 56.01 56.17 1xdx n LEU 58 Cb 0.16 0.10 -0.01 0.00 -1.62 0.00 0.00 43.42 42.06 1xdx n LEU 58 CO 0.38 0.09 -0.43 -0.46 -1.22 0.00 0.00 177.39 175.75 1xdx n ASN 59 N -2.59 -6.28 -3.15 -1.43 0.23 0.49 -5.05 115.26 97.48 1xdx n ASN 59 Ca -0.10 0.93 0.06 0.00 -0.53 0.00 0.00 54.58 54.94 1xdx n ASN 59 Cb 0.74 -3.13 -0.01 0.00 -2.08 0.00 0.00 39.78 35.31 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 -0.92 0.08 0.00 -3.83 2.36 -1.25 -4.92 119.74 111.26 1xdx s LYS 60 Ca -0.04 0.10 0.00 0.00 -2.55 0.00 0.00 55.97 53.48 1xdx s LYS 60 Cb 0.00 0.05 0.00 0.00 -1.05 0.00 0.00 37.83 36.84 1xdx s LYS 60 CO 0.33 -0.13 0.00 -0.35 1.55 0.00 0.00 175.35 176.75 1xdx n PRO 61 N 5.22 0.00 0.00 4.03 -0.04 -1.26 -4.99 135.00 137.97 1xdx n PRO 61 Ca 0.03 0.15 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 1xdx n PRO 61 Cb 0.57 -0.58 0.00 0.00 -0.04 0.00 0.00 33.50 33.45 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 -1.30 -0.26 -2.84 0.54 7.35 -1.25 -4.95 117.46 114.76 1xdx n PHE 62 Ca 0.00 0.01 -0.43 0.00 -0.76 0.00 0.00 57.45 56.27 1xdx n PHE 62 Cb 0.00 0.51 -0.04 0.00 0.35 0.00 0.00 39.48 40.30 1xdx n PHE 62 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 1xdx s LYS 63 N -1.02 3.60 0.08 -4.13 1.02 -0.65 -4.88 119.74 113.75 1xdx s LYS 63 Ca 0.00 0.23 0.10 0.00 0.02 0.00 0.00 55.97 56.32 1xdx s LYS 63 Cb 0.00 -3.90 -0.03 0.00 -0.52 0.00 0.00 37.83 33.38 1xdx s LYS 63 CO 0.00 -1.14 -0.26 0.71 -0.92 0.00 0.00 175.35 173.74 1xdx s TYR 64 N 3.63 2.32 -0.07 3.18 1.51 -1.26 0.48 117.35 127.14 1xdx s TYR 64 Ca 0.36 -0.40 0.00 0.00 -1.01 0.00 0.00 57.07 56.03 1xdx s TYR 64 Cb -0.11 -1.34 -0.03 0.00 -0.11 0.00 0.00 41.96 40.37 1xdx s TYR 64 CO 0.24 0.21 -0.05 0.08 -1.11 0.00 0.00 175.55 174.92 1xdx s VAL 65 N -0.91 3.85 -0.23 0.71 1.01 0.85 -4.91 120.40 120.77 1xdx s VAL 65 Ca 0.13 -0.44 -0.02 0.00 0.00 0.00 0.00 61.98 61.64 1xdx s VAL 65 Cb -0.10 -2.59 0.07 0.00 0.00 0.00 0.00 36.38 33.76 1xdx s VAL 65 CO 0.04 0.59 0.05 -0.69 0.00 0.00 0.00 175.10 175.08 1xdx s VAL 66 N -0.84 0.66 -0.02 2.92 1.01 -1.26 -1.21 120.40 121.65 1xdx s VAL 66 Ca 0.13 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.27 1xdx s VAL 66 Cb -0.11 -1.26 0.01 0.00 0.00 0.00 0.00 36.38 35.02 1xdx s VAL 66 CO 0.02 -0.36 -0.02 0.28 0.00 0.00 0.00 175.10 175.02 1xdx s THR 67 N 1.77 0.23 -0.05 3.92 -1.32 -0.59 -4.93 115.64 114.68 1xdx s THR 67 Ca 0.02 -0.04 0.01 0.00 -1.21 0.00 0.00 61.69 60.47 1xdx s THR 67 Cb -0.17 -0.25 0.02 0.00 -1.51 0.00 0.00 72.50 70.59 1xdx s THR 67 CO -0.14 0.11 -0.04 0.00 -2.21 0.00 0.00 174.62 172.33 1xdx s ILE 69 N 0.97 4.30 -0.20 0.00 1.01 0.19 -4.91 121.20 122.57 1xdx s ILE 69 Ca -0.10 -0.32 -0.07 0.00 0.00 0.00 0.00 60.65 60.15 1xdx s ILE 69 Cb -0.14 -2.84 -0.04 0.00 0.01 0.00 0.00 42.46 39.45 1xdx s ILE 69 CO -0.00 0.55 0.06 0.27 0.00 0.00 0.00 174.94 175.82 1xdx s ILE 70 N -0.94 4.63 -0.38 2.92 -5.25 -1.26 -1.40 121.20 119.52 1xdx s ILE 70 Ca 0.15 -0.08 -0.09 0.00 -0.99 0.00 0.00 60.65 59.64 1xdx s ILE 70 Cb -0.11 -3.10 0.05 0.00 2.95 0.00 0.00 42.46 42.24 1xdx s ILE 70 CO 0.04 0.43 0.19 -0.32 -1.79 0.00 0.00 174.94 173.50 1xdx s MET 71 N 0.65 2.66 0.12 0.37 1.75 -0.44 -5.01 119.30 119.40 1xdx s MET 71 Ca 0.03 -1.26 -0.19 0.00 -1.25 0.00 0.00 55.69 53.02 1xdx s MET 71 Cb -0.13 -3.66 -0.07 0.00 2.84 0.00 0.00 34.83 33.81 1xdx s MET 71 CO 0.02 -0.78 0.61 -1.14 -0.65 0.00 0.00 175.02 173.07 1xdx s GLN 72 N 1.45 4.19 0.66 4.11 0.74 -1.26 -1.36 119.66 128.19 1xdx s GLN 72 Ca 0.01 0.73 0.00 0.00 0.05 0.00 0.00 55.36 56.16 1xdx s GLN 72 Cb -0.21 -3.11 0.00 0.00 1.10 0.00 0.00 33.01 30.79 1xdx s GLN 72 CO 0.04 0.56 0.00 1.63 -0.55 0.00 0.00 175.29 176.96 1xdx n LYS 73 N 1.33 -2.17 -2.11 1.67 4.76 -1.26 -4.63 118.16 115.75 1xdx n LYS 73 Ca -0.08 1.43 -0.09 0.00 -2.87 0.00 0.00 58.31 56.71 1xdx n LYS 73 Cb 0.51 -2.65 0.05 0.00 -1.84 0.00 0.00 35.03 31.10 1xdx n LYS 73 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 1xdx n ASN 74 N -3.79 2.90 -2.37 4.39 0.23 -1.26 -4.78 115.26 110.58 1xdx n ASN 74 Ca 0.01 -2.94 -0.00 0.00 -0.53 0.00 0.00 54.58 51.12 1xdx n ASN 74 Cb 0.49 -0.41 0.05 0.00 -2.08 0.00 0.00 39.78 37.83 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 -0.59 1.56 3.11 4.83 0.00 -1.26 -5.09 105.19 107.74 1xdx n GLY 75 Ca 0.23 -0.77 -0.24 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.95 1.36 -0.16 4.61 0.00 -1.26 -5.12 121.76 119.23 1xdx s ALA 76 Ca 0.23 -0.63 -0.21 0.00 0.00 0.00 0.00 51.96 51.36 1xdx s ALA 76 Cb 0.33 -0.43 -0.03 0.00 0.00 0.00 0.00 23.12 22.99 1xdx s ALA 76 CO -0.08 0.26 0.62 0.20 0.00 0.00 0.00 175.76 176.77 1xdx s GLY 77 N -0.03 2.19 -0.32 0.00 0.00 -1.26 -5.03 107.32 102.87 1xdx s GLY 77 Ca -0.01 -0.19 -0.02 0.00 0.00 0.00 0.00 44.72 44.50 1xdx s GLY 77 CO 0.01 1.22 0.16 -2.27 0.00 0.00 0.00 173.10 172.23 1xdx s LEU 78 N 1.56 1.06 -0.17 0.66 0.20 -1.26 -5.12 118.68 115.62 1xdx s LEU 78 Ca 0.30 -1.75 -0.05 0.00 0.69 0.00 0.00 54.13 53.32 1xdx s LEU 78 Cb -0.16 -0.48 -0.03 0.00 -0.43 0.00 0.00 46.19 45.09 1xdx s LEU 78 CO 0.12 -0.38 -0.00 -1.00 -0.29 0.00 0.00 176.35 174.80 1xdx s HIS 79 N 1.55 3.10 0.13 5.38 3.76 -1.26 -5.11 115.29 122.85 1xdx s HIS 79 Ca 0.13 -0.18 0.08 0.00 -0.15 0.00 0.00 55.06 54.93 1xdx s HIS 79 Cb -0.19 -2.01 -0.04 0.00 1.11 0.00 0.00 32.58 31.45 1xdx s HIS 79 CO -0.19 0.02 -0.18 0.99 -0.85 0.00 0.00 174.74 174.52 1xdx s THR 80 N 0.40 1.66 0.03 1.30 2.01 -1.26 -5.15 115.64 114.63 1xdx s THR 80 Ca -0.01 -1.74 0.02 0.00 0.31 0.00 0.00 61.69 60.26 1xdx s THR 80 Cb -0.14 -1.66 -0.02 0.00 0.01 0.00 0.00 72.50 70.69 1xdx s THR 80 CO 0.02 -0.25 -0.06 0.00 -0.69 0.00 0.00 174.62 173.63 1xdx s ALA 81 N -1.76 0.45 -0.26 7.40 0.00 -1.26 -5.15 121.76 121.18 1xdx s ALA 81 Ca 0.11 -0.67 -0.16 0.00 0.00 0.00 0.00 51.96 51.24 1xdx s ALA 81 Cb -0.07 0.05 0.08 0.00 0.00 0.00 0.00 23.12 23.18 1xdx s ALA 81 CO 0.05 -0.04 0.65 0.00 0.00 0.00 0.00 175.76 176.42 1xdx s ALA 82 N -1.27 -1.76 -0.15 0.00 0.00 -1.26 -5.13 121.76 112.18 1xdx s ALA 82 Ca -0.10 2.27 -0.00 0.00 0.00 0.00 0.00 51.96 54.13 1xdx s ALA 82 Cb -0.09 -1.34 0.04 0.00 0.00 0.00 0.00 23.12 21.72 1xdx s ALA 82 CO 0.00 -0.36 -0.07 0.45 0.00 0.00 0.00 175.76 175.78 1xdx s SER 83 N 1.51 2.71 0.18 0.00 0.15 -1.26 -5.13 113.70 111.86 1xdx s SER 83 Ca -0.09 -0.58 0.05 0.00 0.70 0.00 0.00 55.95 56.03 1xdx s SER 83 Cb -0.05 -0.94 -0.04 0.00 -1.71 0.00 0.00 66.02 63.28 1xdx s SER 83 CO -0.17 -0.16 0.18 0.00 1.20 0.00 0.00 173.24 174.29 1xdx n TRP 85 N -0.53 -2.46 -3.14 0.00 -0.00 -1.26 -5.02 117.44 105.04 1xdx n TRP 85 Ca -0.08 0.00 -0.39 0.00 -0.00 0.00 0.00 57.50 57.03 1xdx n TRP 85 Cb 0.55 0.00 -0.06 0.00 -0.00 0.00 0.00 31.31 31.80 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 -0.67 3.78 0.00 5.87 0.23 -1.26 -5.02 118.94 121.87 1xdx s TRP 86 Ca 0.00 1.37 0.00 0.00 -2.03 0.00 0.00 56.10 55.44 1xdx s TRP 86 Cb 0.00 -2.65 0.00 0.00 0.03 0.00 0.00 33.47 30.85 1xdx s TRP 86 CO 0.00 0.44 0.00 -3.47 0.96 0.00 0.00 176.95 174.88 1xdx n ASP 87 N 2.19 0.00 0.05 2.95 2.03 -1.26 -5.05 116.55 117.47 1xdx n ASP 87 Ca -0.07 0.00 -0.08 0.00 0.52 0.00 0.00 54.79 55.16 1xdx n ASP 87 Cb 0.50 0.00 -0.13 0.00 -0.72 0.00 0.00 41.12 40.78 1xdx n ASP 87 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1xdx h SER 88 N 0.00 0.05 -0.29 1.67 0.02 -1.97 -3.32 113.55 109.71 1xdx h SER 88 Ca 0.00 -0.06 -0.05 0.00 -0.84 0.00 0.00 61.79 60.84 1xdx h SER 88 Cb 0.00 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 1xdx h SER 88 CO 0.00 1.05 -0.00 0.00 -1.14 0.00 0.00 176.83 176.73 1xdx h THR 89 N 0.01 1.26 -2.50 -2.27 1.03 -1.95 -3.28 112.91 105.21 1xdx h THR 89 Ca -0.07 -0.94 -0.75 0.00 -0.01 0.00 0.00 66.41 64.63 1xdx h THR 89 Cb 1.83 1.30 -0.31 0.00 -1.07 0.00 0.00 68.15 69.90 1xdx h THR 89 CO 0.13 0.30 0.51 0.35 -0.01 0.00 0.00 175.52 176.80 1xdx n THR 90 N -4.58 4.93 -3.65 0.00 -2.24 -1.25 0.50 114.28 108.00 1xdx n THR 90 Ca -0.03 -5.82 -0.29 0.00 -2.27 0.00 0.00 64.05 55.64 1xdx n THR 90 Cb 0.26 -1.81 -0.14 0.00 -2.10 0.00 0.00 70.33 66.54 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 -1.95 3.72 0.00 3.42 2.15 -1.24 -4.84 116.67 117.93 1xdx s ASP 91 Ca 0.37 -1.81 0.01 0.00 0.43 0.00 0.00 52.55 51.55 1xdx s ASP 91 Cb 0.14 -0.73 0.02 0.00 -0.30 0.00 0.00 42.92 42.06 1xdx s ASP 91 CO -0.02 -0.38 0.74 0.61 -0.17 0.00 0.00 175.17 175.95 1xdx n GLY 92 N 4.60 0.79 3.63 2.66 0.00 -1.25 -4.85 105.19 110.77 1xdx n GLY 92 Ca 0.01 -0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 1xdx n GLY 92 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xdx s SER 93 N -0.52 6.22 -0.01 1.61 0.01 -1.26 -1.94 113.70 117.80 1xdx s SER 93 Ca 0.02 1.72 0.01 0.00 1.31 0.00 0.00 55.95 59.01 1xdx s SER 93 Cb 0.02 -2.53 0.01 0.00 0.21 0.00 0.00 66.02 63.73 1xdx s SER 93 CO -0.01 -1.37 -0.02 -0.13 0.41 0.00 0.00 173.24 172.11 1xdx s ARG 94 N 4.97 0.31 0.09 12.44 1.81 -0.57 -4.95 118.95 133.05 1xdx s ARG 94 Ca 0.78 -0.05 0.04 0.00 -1.72 0.00 0.00 55.73 54.78 1xdx s ARG 94 Cb -0.27 -0.37 -0.04 0.00 -0.45 0.00 0.00 34.95 33.82 1xdx s ARG 94 CO 0.32 -0.01 0.03 -0.08 -0.68 0.00 0.00 175.30 174.88 1xdx s THR 95 N 0.35 4.19 -0.16 0.02 -1.32 -1.26 0.34 115.64 117.80 1xdx s THR 95 Ca -0.03 -0.92 -0.02 0.00 -1.21 0.00 0.00 61.69 59.51 1xdx s THR 95 Cb -0.06 -3.01 0.05 0.00 -1.51 0.00 0.00 72.50 67.97 1xdx s THR 95 CO -0.01 0.12 0.00 -0.69 -2.21 0.00 0.00 174.62 171.83 1xdx s VAL 96 N -1.34 0.66 -0.27 5.08 1.01 0.69 -3.65 120.40 122.58 1xdx s VAL 96 Ca 0.27 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.81 1xdx s VAL 96 Cb -0.12 -1.00 0.05 0.00 0.00 0.00 0.00 36.38 35.31 1xdx s VAL 96 CO 0.20 -0.02 -0.07 -0.60 0.00 0.00 0.00 175.10 174.61 1xdx s ARG 97 N 1.82 2.40 0.03 2.72 3.00 -1.26 0.39 118.95 128.04 1xdx s ARG 97 Ca 0.01 -1.26 -0.08 0.00 -1.00 0.00 0.00 55.73 53.40 1xdx s ARG 97 Cb -0.16 -3.00 -0.00 0.00 0.00 0.00 0.00 34.95 31.80 1xdx s ARG 97 CO -0.07 -0.56 0.15 1.67 0.00 0.00 0.00 175.30 176.49 1xdx s TRP 98 N 1.19 0.11 0.38 5.12 1.48 -0.45 -3.72 118.94 123.04 1xdx s TRP 98 Ca -0.06 -0.33 0.08 0.00 -1.06 0.00 0.00 56.10 54.73 1xdx s TRP 98 Cb -0.19 -0.08 -0.06 0.00 -1.16 0.00 0.00 33.47 31.99 1xdx s TRP 98 CO -0.04 -0.38 0.09 -1.21 -4.06 0.00 0.00 176.95 171.36 1xdx s GLU 99 N -2.34 2.15 0.00 3.25 8.01 -1.26 -1.34 118.70 127.16 1xdx s GLU 99 Ca -0.07 -1.81 0.00 0.00 0.01 0.00 0.00 54.97 53.10 1xdx s GLU 99 Cb -0.02 -1.94 0.00 0.00 -4.31 0.00 0.00 34.13 27.86 1xdx s GLU 99 CO -0.03 0.01 0.00 0.27 0.01 0.00 0.00 175.26 175.52 1xdx n ASN 100 N -1.09 0.00 -0.09 -0.19 0.23 -1.24 -1.17 115.26 111.71 1xdx n ASN 100 Ca -0.03 0.00 -0.12 0.00 -0.53 0.00 0.00 54.58 53.90 1xdx n ASN 100 Cb 0.64 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 38.28 1xdx n ASN 100 CO 0.00 0.00 0.00 1.17 -0.93 0.00 0.00 177.26 177.50 1xdx n LYS 101 N -1.47 0.50 0.00 -3.83 0.00 -1.26 0.28 118.16 112.39 1xdx n LYS 101 Ca 0.00 0.55 0.00 0.00 0.00 0.00 0.00 58.31 58.86 1xdx n LYS 101 Cb 0.00 -1.72 0.00 0.00 0.00 0.00 0.00 35.03 33.31 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 -4.53 0.00 -4.69 3.14 2.88 -1.26 -4.18 113.62 104.98 1xdx n SER 102 Ca -0.18 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.04 1xdx n SER 102 Cb 0.45 0.23 0.15 0.00 -0.75 0.00 0.00 64.21 64.30 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 1.26 -0.07 -1.46 1.75 -1.26 -4.85 119.30 112.93 1xdx s MET 103 Ca 0.00 1.59 0.02 0.00 -1.25 0.00 0.00 55.69 56.04 1xdx s MET 103 Cb 0.00 -1.75 -0.03 0.00 2.84 0.00 0.00 34.83 35.89 1xdx s MET 103 CO 0.00 -2.46 -0.10 0.71 -0.65 0.00 0.00 175.02 172.52 1xdx s TYR 104 N -2.52 2.85 -0.20 4.11 1.51 -0.46 -3.72 117.35 118.92 1xdx s TYR 104 Ca 0.68 -0.08 0.01 0.00 -1.01 0.00 0.00 57.07 56.67 1xdx s TYR 104 Cb -0.24 -1.70 0.04 0.00 -0.11 0.00 0.00 41.96 39.96 1xdx s TYR 104 CO 0.56 0.24 -0.11 0.00 -1.11 0.00 0.00 175.55 175.14 1xdx s ILE 106 N 1.39 3.11 -0.16 0.00 2.07 -0.49 -1.35 121.20 125.77 1xdx s ILE 106 Ca -0.01 -0.95 0.01 0.00 -1.41 0.00 0.00 60.65 58.28 1xdx s ILE 106 Cb -0.16 -2.59 0.02 0.00 0.13 0.00 0.00 42.46 39.86 1xdx s ILE 106 CO -0.08 0.17 -0.17 0.00 -1.91 0.00 0.00 174.94 172.95 1xdx s THR 108 N 1.37 3.70 -0.11 0.00 -1.32 0.14 -0.22 115.64 119.19 1xdx s THR 108 Ca 0.05 -0.45 0.03 0.00 -1.21 0.00 0.00 61.69 60.11 1xdx s THR 108 Cb -0.13 -2.58 0.01 0.00 -1.51 0.00 0.00 72.50 68.29 1xdx s THR 108 CO -0.11 0.53 -0.20 -0.69 -2.21 0.00 0.00 174.62 171.94 1xdx s VAL 109 N -0.03 1.80 -0.48 5.08 1.01 0.15 -1.54 120.40 126.41 1xdx s VAL 109 Ca 0.00 -0.84 -0.11 0.00 0.00 0.00 0.00 61.98 61.02 1xdx s VAL 109 Cb -0.13 -1.59 0.11 0.00 0.00 0.00 0.00 36.38 34.76 1xdx s VAL 109 CO 0.03 0.50 0.37 -0.36 0.00 0.00 0.00 175.10 175.64 1xdx s PHE 110 N 0.69 3.35 -1.25 5.22 0.08 -0.35 -1.51 117.98 124.21 1xdx s PHE 110 Ca -0.12 -1.57 -0.18 0.00 0.12 0.00 0.00 56.93 55.19 1xdx s PHE 110 Cb -0.16 -3.41 0.09 0.00 -0.57 0.00 0.00 43.02 38.96 1xdx s PHE 110 CO 0.02 -0.95 1.64 0.20 -0.10 0.00 0.00 175.22 176.04 1xdx s GLY 111 N 2.75 1.76 -0.14 4.36 0.00 -0.82 -0.10 107.32 115.13 1xdx s GLY 111 Ca 0.04 -2.94 -0.26 0.00 0.00 0.00 0.00 44.72 41.56 1xdx s GLY 111 CO 0.01 2.58 0.87 1.08 0.00 0.00 0.00 173.10 177.64 1xdx s LEU 112 N 3.74 4.20 -1.22 0.66 1.02 0.18 -3.78 118.68 123.49 1xdx s LEU 112 Ca 0.51 1.27 -0.21 0.00 0.02 0.00 0.00 54.13 55.71 1xdx s LEU 112 Cb 0.02 -3.30 -0.04 0.00 0.02 0.00 0.00 46.19 42.88 1xdx s LEU 112 CO 0.04 -0.39 1.88 0.00 0.02 0.00 0.00 176.35 177.90 1xdx s ALA 113 N 2.01 2.23 0.00 4.21 0.00 0.18 -1.64 121.76 128.75 1xdx s ALA 113 Ca 0.41 -2.37 0.00 0.00 0.00 0.00 0.00 51.96 50.00 1xdx s ALA 113 Cb -0.17 -4.67 0.00 0.00 0.00 0.00 0.00 23.12 18.28 1xdx s ALA 113 CO 0.14 -4.69 0.00 -0.89 0.00 0.00 0.00 175.76 170.32