#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 0.00 0.00 2.12 2.13 -1.26 -5.01 120.64 118.62 1xdx n GLU 2 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1xdx n GLU 2 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 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 3.21 1.37 3.38 8.31 0.00 -1.26 -4.80 105.19 115.39 1xdx n GLY 3 Ca 0.00 -0.02 -0.22 0.00 0.00 0.00 0.00 46.02 45.78 1xdx n GLY 3 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xdx s VAL 4 N 0.00 2.05 -0.60 1.61 1.01 -1.26 -5.08 120.40 118.12 1xdx s VAL 4 Ca 0.00 -2.12 0.05 0.00 0.00 0.00 0.00 61.98 59.91 1xdx s VAL 4 Cb 0.00 -2.04 0.18 0.00 0.00 0.00 0.00 36.38 34.52 1xdx s VAL 4 CO 0.00 -0.36 0.48 -0.67 0.00 0.00 0.00 175.10 174.55 1xdx n ASP 5 N -0.08 1.99 -4.35 3.32 -0.08 -0.06 -5.02 116.55 112.27 1xdx n ASP 5 Ca -0.10 -2.98 -0.40 0.00 -1.51 0.00 0.00 54.79 49.80 1xdx n ASP 5 Cb 0.58 -0.69 -0.11 0.00 2.34 0.00 0.00 41.12 43.24 1xdx n ASP 5 CO 0.00 0.00 0.00 -2.16 0.12 0.00 0.00 177.20 175.16 1xdx s PRO 6 N -1.15 2.79 -0.92 -0.67 0.04 -1.22 -0.62 135.00 133.25 1xdx s PRO 6 Ca 0.29 -1.09 -0.04 0.00 0.04 0.00 0.00 61.00 60.20 1xdx s PRO 6 Cb 0.01 -3.66 0.03 0.00 0.04 0.00 0.00 34.50 30.93 1xdx s PRO 6 CO -0.16 -0.68 0.18 0.00 0.04 0.00 0.00 177.00 176.38 1xdx n ALA 7 N 4.95 -0.94 -0.05 8.56 0.00 -0.42 -4.78 120.51 127.83 1xdx n ALA 7 Ca -0.12 0.06 -0.01 0.00 0.00 0.00 0.00 53.44 53.37 1xdx n ALA 7 Cb 0.46 -1.72 0.27 0.00 0.00 0.00 0.00 19.45 18.46 1xdx n ALA 7 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1xdx h VAL 8 N -0.35 1.20 -2.56 0.00 2.07 -1.80 -3.33 116.25 111.47 1xdx h VAL 8 Ca -0.28 -0.73 -0.60 0.00 0.82 0.00 0.00 66.70 65.91 1xdx h VAL 8 Cb 1.20 0.78 -0.40 0.00 -1.52 0.00 0.00 31.29 31.35 1xdx h VAL 8 CO 0.35 0.26 -0.79 -0.62 0.02 0.00 0.00 177.57 176.79 1xdx n GLU 9 N -4.30 1.19 -1.92 1.57 1.02 -1.26 -5.11 120.64 111.83 1xdx n GLU 9 Ca 0.03 -3.88 -0.33 0.00 -0.02 0.00 0.00 57.16 52.96 1xdx n GLU 9 Cb 0.21 -1.92 0.03 0.00 -0.02 0.00 0.00 31.44 29.74 1xdx n GLU 9 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1xdx s GLU 10 N -1.02 3.09 0.30 3.49 2.56 -1.25 -4.66 118.70 121.21 1xdx s GLU 10 Ca 0.31 1.29 0.09 0.00 0.00 0.00 0.00 54.97 56.66 1xdx s GLU 10 Cb 0.04 -2.00 -0.04 0.00 2.00 0.00 0.00 34.13 34.13 1xdx s GLU 10 CO -0.15 -1.00 0.07 0.00 -0.56 0.00 0.00 175.26 173.61 1xdx s ALA 11 N -2.40 3.33 0.00 6.30 0.00 -1.26 -4.83 121.76 122.89 1xdx s ALA 11 Ca 0.65 -1.72 0.00 0.00 0.00 0.00 0.00 51.96 50.89 1xdx s ALA 11 Cb -0.18 -0.77 0.00 0.00 0.00 0.00 0.00 23.12 22.17 1xdx s ALA 11 CO 0.39 0.16 0.00 0.00 0.00 0.00 0.00 175.76 176.31 1xdx n ALA 12 N -1.02 0.00 -3.14 0.00 0.00 -1.20 -4.38 120.51 110.78 1xdx n ALA 12 Ca -0.05 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.19 1xdx n ALA 12 Cb 0.60 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.01 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 -0.43 -0.52 -1.15 0.00 -0.00 -1.26 -5.01 117.46 109.09 1xdx n PHE 13 Ca 0.00 -3.45 -0.34 0.00 -0.00 0.00 0.00 57.45 53.66 1xdx n PHE 13 Cb 0.00 -0.14 0.11 0.00 -0.00 0.00 0.00 39.48 39.45 1xdx n PHE 13 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 1xdx n VAL 14 N 0.98 2.03 -0.85 -2.13 0.31 -1.26 -4.95 118.33 112.46 1xdx n VAL 14 Ca 0.21 -0.26 -0.32 0.00 -0.01 0.00 0.00 64.34 63.96 1xdx n VAL 14 Cb 0.59 -1.08 0.15 0.00 -0.91 0.00 0.00 33.84 32.59 1xdx n VAL 14 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1xdx s ALA 15 N -2.05 1.60 0.15 3.52 0.00 -1.26 -4.62 121.76 119.09 1xdx s ALA 15 Ca 0.71 0.70 -0.16 0.00 0.00 0.00 0.00 51.96 53.21 1xdx s ALA 15 Cb -0.30 -3.47 0.04 0.00 0.00 0.00 0.00 23.12 19.39 1xdx s ALA 15 CO 0.53 -2.61 1.77 -0.44 0.00 0.00 0.00 175.76 175.01 1xdx h ASP 16 N -1.51 0.21 0.04 0.00 3.32 -1.97 0.54 116.42 117.05 1xdx h ASP 16 Ca -0.44 0.02 0.02 0.00 0.02 0.00 0.00 57.03 56.65 1xdx h ASP 16 Cb 1.28 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 40.79 1xdx h ASP 16 CO 0.43 0.16 -0.20 -0.78 -1.72 0.00 0.00 179.24 177.13 1xdx h ASP 17 N 0.33 -0.57 0.81 6.45 3.58 -1.98 -1.46 116.42 123.57 1xdx h ASP 17 Ca 0.15 0.08 -0.21 0.00 0.42 0.00 0.00 57.03 57.47 1xdx h ASP 17 Cb 0.09 0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.35 1xdx h ASP 17 CO -0.13 -0.27 -0.98 0.58 -2.88 0.00 0.00 179.24 175.56 1xdx h VAL 18 N -0.34 1.61 -0.76 2.25 2.07 -1.90 -3.15 116.25 116.02 1xdx h VAL 18 Ca 0.05 -3.07 -0.03 0.00 0.82 0.00 0.00 66.70 64.47 1xdx h VAL 18 Cb 0.39 2.72 -0.03 0.00 -1.52 0.00 0.00 31.29 32.85 1xdx h VAL 18 CO -0.16 0.88 0.37 0.77 0.02 0.00 0.00 177.57 179.46 1xdx h SER 19 N 0.04 1.00 -0.01 0.57 4.64 0.25 -1.55 113.55 118.48 1xdx h SER 19 Ca -0.04 -0.13 -0.01 0.00 -0.47 0.00 0.00 61.79 61.14 1xdx h SER 19 Cb 1.69 -0.26 -0.00 0.00 -0.31 0.00 0.00 62.40 63.52 1xdx h SER 19 CO 0.14 0.85 -0.02 -0.55 -0.87 0.00 0.00 176.83 176.38 1xdx h ASN 20 N 1.07 0.04 0.05 4.97 7.08 -1.34 -2.23 115.58 125.21 1xdx h ASN 20 Ca 0.26 -0.50 0.02 0.00 -3.08 0.00 0.00 56.30 53.00 1xdx h ASN 20 Cb 0.12 -0.01 -0.04 0.00 -2.08 0.00 0.00 38.32 36.31 1xdx h ASN 20 CO -0.03 0.53 -0.22 0.40 -2.08 0.00 0.00 177.43 176.03 1xdx h ILE 21 N -0.46 0.49 -0.05 6.14 2.04 -1.50 0.58 117.51 124.75 1xdx h ILE 21 Ca 0.00 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.87 1xdx h ILE 21 Cb 0.52 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 1xdx h ILE 21 CO 0.00 0.00 0.01 -0.29 0.00 0.00 0.00 178.15 177.87 1xdx h ILE 22 N -0.38 0.98 -0.03 -0.67 6.09 -1.37 -0.27 117.51 121.87 1xdx h ILE 22 Ca 0.05 -0.01 -0.00 0.00 -1.37 0.00 0.00 64.86 63.52 1xdx h ILE 22 Cb 0.43 0.95 -0.00 0.00 0.47 0.00 0.00 36.82 38.67 1xdx h ILE 22 CO -0.17 0.01 0.00 0.11 -3.07 0.00 0.00 178.15 175.03 1xdx h LYS 23 N 0.03 0.05 -0.79 2.19 1.57 -1.20 -1.22 116.57 117.20 1xdx h LYS 23 Ca 0.02 -0.01 0.14 0.00 -1.87 0.00 0.00 60.65 58.93 1xdx h LYS 23 Cb 0.02 -0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.27 1xdx h LYS 23 CO -0.03 0.33 0.52 0.93 -0.57 0.00 0.00 179.45 180.63 1xdx h GLU 24 N -0.24 0.51 -0.11 3.15 3.07 0.20 0.72 114.58 121.88 1xdx h GLU 24 Ca 0.01 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 58.82 1xdx h GLU 24 Cb 0.30 -0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 28.10 1xdx h GLU 24 CO 0.00 0.33 -0.01 1.03 -1.40 0.00 0.00 179.01 178.97 1xdx h SER 25 N 0.52 0.19 -0.61 1.42 0.87 -0.68 -2.44 113.55 112.83 1xdx h SER 25 Ca 0.39 -0.32 0.02 0.00 -1.23 0.00 0.00 61.79 60.65 1xdx h SER 25 Cb 0.76 -0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 62.63 1xdx h SER 25 CO -0.14 0.47 0.38 0.40 -0.53 0.00 0.00 176.83 177.40 1xdx h ILE 26 N -0.09 1.09 -0.99 2.23 5.03 0.11 1.58 117.51 126.46 1xdx h ILE 26 Ca 0.03 -0.26 0.20 0.00 -0.12 0.00 0.00 64.86 64.72 1xdx h ILE 26 Cb 0.38 0.27 -0.10 0.00 -3.03 0.00 0.00 36.82 34.34 1xdx h ILE 26 CO 0.01 0.14 0.62 -0.78 -0.68 0.00 0.00 178.15 177.45 1xdx h ASP 27 N 0.75 0.70 0.11 1.72 3.58 -0.81 0.42 116.42 122.88 1xdx h ASP 27 Ca 0.24 0.09 -0.34 0.00 0.42 0.00 0.00 57.03 57.44 1xdx h ASP 27 Cb 0.00 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.00 1xdx h ASP 27 CO -0.09 0.24 -1.86 0.00 -2.88 0.00 0.00 179.24 174.64 1xdx h ALA 28 N 1.64 0.39 0.00 -0.78 0.00 -0.64 -1.42 119.26 118.45 1xdx h ALA 28 Ca 0.57 -1.35 0.00 0.00 0.00 0.00 0.00 54.91 54.13 1xdx h ALA 28 Cb 1.00 0.70 0.00 0.00 0.00 0.00 0.00 17.79 19.49 1xdx h ALA 28 CO -0.35 1.20 0.00 0.28 0.00 0.00 0.00 179.25 180.37 1xdx n VAL 29 N -3.65 0.92 -0.01 0.00 0.31 0.53 -0.61 118.33 115.83 1xdx n VAL 29 Ca -0.31 0.23 -0.01 0.00 -0.01 0.00 0.00 64.34 64.24 1xdx n VAL 29 Cb 0.99 -1.03 -0.01 0.00 -0.91 0.00 0.00 33.84 32.88 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 -1.72 0.56 0.03 7.52 7.99 0.14 -4.71 117.00 126.81 1xdx n LEU 30 Ca 0.03 -0.00 0.11 0.00 -0.01 0.00 0.00 56.01 56.14 1xdx n LEU 30 Cb 0.19 0.02 0.07 0.00 -0.11 0.00 0.00 43.42 43.59 1xdx n LEU 30 CO 0.16 0.13 0.10 1.67 -1.51 0.00 0.00 177.39 177.95 1xdx n GLN 31 N -2.16 0.26 -0.27 3.23 7.27 -0.53 -4.32 117.38 120.86 1xdx n GLN 31 Ca -0.03 0.01 0.08 0.00 0.07 0.00 0.00 57.00 57.13 1xdx n GLN 31 Cb 0.55 -1.60 0.22 0.00 2.41 0.00 0.00 30.24 31.82 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 0.14 -2.97 1.69 -1.07 -1.02 -3.44 115.58 108.92 1xdx h ASN 32 Ca 0.00 0.14 -0.10 0.00 0.07 0.00 0.00 56.30 56.42 1xdx h ASN 32 Cb 0.71 0.16 -0.02 0.00 -2.07 0.00 0.00 38.32 37.10 1xdx h ASN 32 CO 0.00 -0.01 -0.08 1.67 0.07 0.00 0.00 177.43 179.08 1xdx n GLN 33 N -5.10 1.05 -1.95 4.14 7.27 -1.26 -5.13 117.38 116.41 1xdx n GLN 33 Ca 0.17 -0.59 -0.29 0.00 0.07 0.00 0.00 57.00 56.35 1xdx n GLN 33 Cb 0.51 0.29 0.06 0.00 2.41 0.00 0.00 30.24 33.51 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 -2.27 2.59 -0.27 3.69 2.00 -1.26 -4.95 119.66 119.18 1xdx s GLN 34 Ca 0.03 0.29 -0.28 0.00 -2.00 0.00 0.00 55.36 53.40 1xdx s GLN 34 Cb 0.00 -2.03 -0.04 0.00 0.80 0.00 0.00 33.01 31.75 1xdx s GLN 34 CO 0.02 -1.17 2.03 -0.47 -0.50 0.00 0.00 175.29 175.20 1xdx s TYR 35 N -3.38 1.45 -0.10 1.67 6.14 -1.26 -4.96 117.35 116.90 1xdx s TYR 35 Ca 0.59 0.58 0.02 0.00 0.64 0.00 0.00 57.07 58.90 1xdx s TYR 35 Cb -0.11 -4.01 0.01 0.00 0.42 0.00 0.00 41.96 38.27 1xdx s TYR 35 CO 0.50 -3.58 -0.17 -1.12 0.64 0.00 0.00 175.55 171.82 1xdx s SER 36 N 7.34 2.50 0.23 4.32 0.01 -1.26 -5.02 113.70 121.83 1xdx s SER 36 Ca 0.91 -0.45 -0.07 0.00 1.31 0.00 0.00 55.95 57.66 1xdx s SER 36 Cb -0.28 -1.13 0.22 0.00 0.21 0.00 0.00 66.02 65.03 1xdx s SER 36 CO 0.34 0.05 1.90 -0.08 0.41 0.00 0.00 173.24 175.86 1xdx h GLU 37 N 7.21 1.22 0.00 12.44 4.57 -1.98 0.88 114.58 138.92 1xdx h GLU 37 Ca -0.29 -0.09 -0.00 0.00 -1.18 0.00 0.00 59.36 57.79 1xdx h GLU 37 Cb 1.19 -0.27 -0.00 0.00 -0.16 0.00 0.00 28.75 29.51 1xdx h GLU 37 CO 0.49 0.84 -0.01 0.00 -1.18 0.00 0.00 179.01 179.15 1xdx h ALA 38 N 1.32 1.71 0.00 2.92 0.00 -2.01 -0.67 119.26 122.53 1xdx h ALA 38 Ca 0.33 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.23 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 -0.07 0.01 -1.22 1.63 0.00 0.00 0.00 179.25 179.61 1xdx n LYS 39 N -4.12 0.32 0.02 0.00 4.01 0.11 -3.94 118.16 114.55 1xdx n LYS 39 Ca -0.03 -0.04 0.22 0.00 -0.51 0.00 0.00 58.31 57.96 1xdx n LYS 39 Cb 0.09 -1.57 0.71 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 0.35 0.00 -0.18 2.07 0.23 1.30 116.25 120.02 1xdx h VAL 40 Ca 0.00 0.00 -0.19 0.00 0.82 0.00 0.00 66.70 67.33 1xdx h VAL 40 Cb 0.75 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 1xdx h VAL 40 CO 0.00 0.00 -1.73 -1.54 0.02 0.00 0.00 177.57 174.32 1xdx n SER 41 N -3.73 2.76 0.12 0.57 3.41 -1.26 -4.50 113.62 110.99 1xdx n SER 41 Ca 0.11 -0.04 0.01 0.00 -0.26 0.00 0.00 58.87 58.68 1xdx n SER 41 Cb 0.77 0.19 0.32 0.00 -0.26 0.00 0.00 64.21 65.24 1xdx n SER 41 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1xdx h GLN 42 N 0.00 0.21 -0.07 4.33 1.08 -1.52 -2.96 115.11 116.18 1xdx h GLN 42 Ca -0.29 -0.07 0.01 0.00 -1.45 0.00 0.00 58.65 56.85 1xdx h GLN 42 Cb 1.53 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 28.92 1xdx h GLN 42 CO -0.02 0.47 -0.13 -1.49 -0.95 0.00 0.00 178.83 176.71 1xdx h TRP 43 N 0.19 -0.39 -0.11 2.96 6.55 0.14 0.17 115.95 125.46 1xdx h TRP 43 Ca 0.03 0.02 0.03 0.00 0.95 0.00 0.00 58.89 59.92 1xdx h TRP 43 Cb 0.58 0.18 -0.00 0.00 -0.86 0.00 0.00 29.16 29.05 1xdx h TRP 43 CO 0.01 -0.12 0.18 0.00 -1.05 0.00 0.00 178.44 177.46 1xdx h THR 44 N -0.11 0.31 -0.14 1.49 1.03 -1.77 0.11 112.91 113.83 1xdx h THR 44 Ca 0.01 0.00 -0.21 0.00 -0.01 0.00 0.00 66.41 66.21 1xdx h THR 44 Cb 0.15 0.85 0.00 0.00 -1.07 0.00 0.00 68.15 68.08 1xdx h THR 44 CO -0.13 0.00 -0.74 0.77 -0.01 0.00 0.00 175.52 175.42 1xdx h SER 45 N 0.00 0.80 0.30 0.00 4.64 -0.78 -1.40 113.55 117.10 1xdx h SER 45 Ca 0.05 -0.51 -0.13 0.00 -0.47 0.00 0.00 61.79 60.73 1xdx h SER 45 Cb 0.41 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.25 1xdx h SER 45 CO -0.00 1.29 -0.51 0.28 -0.87 0.00 0.00 176.83 177.02 1xdx h SER 46 N 0.47 0.27 -0.52 4.97 0.02 0.17 -2.23 113.55 116.70 1xdx h SER 46 Ca -0.04 -0.13 -0.09 0.00 -0.84 0.00 0.00 61.79 60.69 1xdx h SER 46 Cb 1.34 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.79 1xdx h SER 46 CO 0.14 0.73 -0.02 0.00 -1.14 0.00 0.00 176.83 176.55 1xdx h LEU 48 N 0.88 0.73 -0.12 0.00 4.07 -0.90 1.10 115.31 121.07 1xdx h LEU 48 Ca 0.16 -0.11 -0.22 0.00 0.08 0.00 0.00 57.88 57.79 1xdx h LEU 48 Cb 0.54 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 42.08 1xdx h LEU 48 CO 0.03 0.69 -1.00 -0.08 -1.08 0.00 0.00 178.44 177.01 1xdx h GLU 49 N 0.77 0.20 -0.04 1.13 4.81 -0.83 -0.79 114.58 119.83 1xdx h GLU 49 Ca 0.18 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1xdx h GLU 49 Cb 0.23 0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.70 1xdx h GLU 49 CO -0.01 1.04 0.00 0.72 -0.73 0.00 0.00 179.01 180.03 1xdx n HIS 50 N -3.58 0.04 -0.10 0.92 8.25 0.21 -1.27 115.22 119.68 1xdx n HIS 50 Ca -0.04 -0.02 -0.18 0.00 -0.26 0.00 0.00 57.72 57.21 1xdx n HIS 50 Cb 0.89 0.00 -0.08 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 -0.40 1.29 -0.38 0.00 -0.00 -1.19 -1.51 117.51 115.33 1xdx h ILE 52 Ca -0.49 -1.01 0.01 0.00 -0.00 0.00 0.00 64.86 63.37 1xdx h ILE 52 Cb 1.57 1.65 -0.02 0.00 -0.00 0.00 0.00 36.82 40.02 1xdx h ILE 52 CO -0.20 0.30 0.25 0.11 -0.00 0.00 0.00 178.15 178.61 1xdx h LYS 53 N -0.01 0.47 -0.03 2.19 6.56 -1.41 -1.83 116.57 122.51 1xdx h LYS 53 Ca 0.04 -0.03 -0.16 0.00 -1.06 0.00 0.00 60.65 59.44 1xdx h LYS 53 Cb 0.48 -0.11 0.01 0.00 -0.57 0.00 0.00 32.23 32.04 1xdx h LYS 53 CO 0.02 0.31 -0.61 -0.09 -2.06 0.00 0.00 179.45 177.01 1xdx h ARG 54 N 0.49 0.47 -0.03 3.15 9.65 -1.68 -2.86 114.38 123.57 1xdx h ARG 54 Ca 0.14 -0.47 0.01 0.00 -1.10 0.00 0.00 59.98 58.57 1xdx h ARG 54 Cb -0.02 0.12 -0.00 0.00 -1.39 0.00 0.00 29.97 28.68 1xdx h ARG 54 CO -0.03 1.11 0.02 -0.07 2.80 0.00 0.00 179.97 183.80 1xdx h LEU 55 N 0.01 0.00 -0.36 3.80 3.38 -0.83 0.09 115.31 121.41 1xdx h LEU 55 Ca -0.07 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.71 1xdx h LEU 55 Cb 1.30 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.04 1xdx h LEU 55 CO 0.12 0.00 -0.80 0.71 0.09 0.00 0.00 178.44 178.56 1xdx h THR 56 N 0.00 1.42 -0.28 0.22 1.35 -1.33 0.35 112.91 114.65 1xdx h THR 56 Ca 0.01 -2.34 -0.13 0.00 -0.55 0.00 0.00 66.41 63.41 1xdx h THR 56 Cb 0.06 2.27 -0.01 0.00 -1.73 0.00 0.00 68.15 68.74 1xdx h THR 56 CO -0.00 0.69 -0.36 0.00 -0.25 0.00 0.00 175.52 175.60 1xdx h ALA 57 N 0.95 0.86 0.00 6.62 0.00 -0.81 -2.96 119.26 123.92 1xdx h ALA 57 Ca -0.04 -0.42 -0.14 0.00 0.00 0.00 0.00 54.91 54.31 1xdx h ALA 57 Cb 1.39 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 1xdx h ALA 57 CO 0.13 0.64 -0.91 -0.07 0.00 0.00 0.00 179.25 179.04 1xdx h LEU 58 N 0.52 0.00 -3.63 0.00 -0.00 -1.04 -3.49 115.31 107.67 1xdx h LEU 58 Ca 0.05 0.00 -0.53 0.00 -0.00 0.00 0.00 57.88 57.40 1xdx h LEU 58 Cb 0.86 0.00 0.03 0.00 -0.00 0.00 0.00 40.66 41.55 1xdx h LEU 58 CO 0.07 0.56 -0.98 -0.46 -0.00 0.00 0.00 178.44 177.63 1xdx n ASN 59 N -3.09 -4.65 -3.15 -0.43 6.94 0.12 -4.96 115.26 106.03 1xdx n ASN 59 Ca -0.03 -1.18 0.06 0.00 -0.02 0.00 0.00 54.58 53.41 1xdx n ASN 59 Cb 0.79 -2.40 -0.02 0.00 -2.36 0.00 0.00 39.78 35.79 1xdx n ASN 59 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 1xdx s LYS 60 N -6.82 0.04 0.00 -3.83 2.20 -1.25 -4.75 119.74 105.33 1xdx s LYS 60 Ca 0.49 0.08 0.00 0.00 -0.36 0.00 0.00 55.97 56.18 1xdx s LYS 60 Cb -0.23 0.04 0.00 0.00 -1.51 0.00 0.00 37.83 36.13 1xdx s LYS 60 CO 0.93 -0.05 0.00 -2.30 -0.36 0.00 0.00 175.35 173.57 1xdx n PRO 61 N 5.44 1.11 -0.02 4.03 -0.02 -1.26 -4.94 135.00 139.34 1xdx n PRO 61 Ca -0.09 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.37 1xdx n PRO 61 Cb 0.55 0.00 -0.01 0.00 -0.02 0.00 0.00 33.50 34.02 1xdx n PRO 61 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1xdx n PHE 62 N -0.61 0.04 -2.92 6.00 3.01 -1.26 -4.90 117.46 116.81 1xdx n PHE 62 Ca 0.00 0.02 -0.42 0.00 1.01 0.00 0.00 57.45 58.06 1xdx n PHE 62 Cb 0.00 -0.16 -0.05 0.00 -0.01 0.00 0.00 39.48 39.27 1xdx n PHE 62 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1xdx s LYS 63 N -1.36 3.87 -0.02 -1.08 -0.14 -1.21 -4.97 119.74 114.82 1xdx s LYS 63 Ca -0.05 0.49 -0.04 0.00 -1.36 0.00 0.00 55.97 55.01 1xdx s LYS 63 Cb 0.01 -3.77 0.01 0.00 -1.68 0.00 0.00 37.83 32.39 1xdx s LYS 63 CO 0.08 -0.79 0.10 1.52 -0.76 0.00 0.00 175.35 175.50 1xdx s TYR 64 N 3.11 -0.04 0.12 3.18 -0.85 -1.26 -0.20 117.35 121.40 1xdx s TYR 64 Ca 0.33 0.11 0.06 0.00 -0.52 0.00 0.00 57.07 57.05 1xdx s TYR 64 Cb -0.13 -0.00 -0.04 0.00 0.38 0.00 0.00 41.96 42.16 1xdx s TYR 64 CO 0.15 -0.12 -0.01 0.08 -1.52 0.00 0.00 175.55 174.13 1xdx s VAL 65 N -0.41 3.83 -0.28 -3.49 1.01 0.78 -4.93 120.40 116.91 1xdx s VAL 65 Ca -0.05 -1.16 -0.02 0.00 0.00 0.00 0.00 61.98 60.75 1xdx s VAL 65 Cb -0.03 -2.85 0.09 0.00 0.00 0.00 0.00 36.38 33.58 1xdx s VAL 65 CO 0.00 0.05 0.08 -0.69 0.00 0.00 0.00 175.10 174.54 1xdx s VAL 66 N -1.42 0.72 0.16 2.92 1.01 -1.26 0.12 120.40 122.65 1xdx s VAL 66 Ca 0.26 -1.12 0.08 0.00 0.00 0.00 0.00 61.98 61.19 1xdx s VAL 66 Cb -0.11 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 34.79 1xdx s VAL 66 CO 0.18 -0.54 -0.16 0.28 0.00 0.00 0.00 175.10 174.85 1xdx s THR 67 N 1.72 1.65 0.05 3.92 -1.32 -0.56 -4.94 115.64 116.15 1xdx s THR 67 Ca 0.06 -1.92 -0.18 0.00 -1.21 0.00 0.00 61.69 58.45 1xdx s THR 67 Cb -0.17 -1.79 0.03 0.00 -1.51 0.00 0.00 72.50 69.06 1xdx s THR 67 CO -0.21 -0.41 0.40 0.00 -2.21 0.00 0.00 174.62 172.19 1xdx s ILE 69 N -2.55 1.07 -0.11 0.00 1.09 0.17 -4.96 121.20 115.90 1xdx s ILE 69 Ca -0.05 -0.47 -0.19 0.00 -1.10 0.00 0.00 60.65 58.84 1xdx s ILE 69 Cb -0.01 -0.97 -0.04 0.00 -1.06 0.00 0.00 42.46 40.38 1xdx s ILE 69 CO -0.03 0.33 0.51 0.27 -0.10 0.00 0.00 174.94 175.93 1xdx s ILE 70 N 0.48 5.17 -0.70 2.92 -5.25 -1.26 -1.05 121.20 121.50 1xdx s ILE 70 Ca -0.10 1.03 -0.09 0.00 -0.99 0.00 0.00 60.65 60.49 1xdx s ILE 70 Cb -0.14 -3.85 0.18 0.00 2.95 0.00 0.00 42.46 41.61 1xdx s ILE 70 CO 0.03 0.31 0.59 -0.04 -1.79 0.00 0.00 174.94 174.03 1xdx s MET 71 N 0.69 3.07 -0.08 0.37 -1.94 0.14 -4.99 119.30 116.56 1xdx s MET 71 Ca 0.28 -2.40 -0.29 0.00 -1.71 0.00 0.00 55.69 51.56 1xdx s MET 71 Cb -0.15 -4.10 -0.05 0.00 2.01 0.00 0.00 34.83 32.53 1xdx s MET 71 CO 0.11 -1.24 1.71 -1.14 -0.01 0.00 0.00 175.02 174.46 1xdx s GLN 72 N 0.22 4.05 2.12 2.03 0.74 -1.26 -1.38 119.66 126.18 1xdx s GLN 72 Ca 0.16 2.13 0.00 0.00 0.05 0.00 0.00 55.36 57.70 1xdx s GLN 72 Cb -0.16 -4.04 0.00 0.00 1.10 0.00 0.00 33.01 29.91 1xdx s GLN 72 CO -0.06 -1.01 0.00 1.63 -0.55 0.00 0.00 175.29 175.31 1xdx n LYS 73 N 7.36 0.00 -0.06 1.67 4.76 -1.26 -3.92 118.16 126.72 1xdx n LYS 73 Ca 0.18 0.00 -0.06 0.00 -2.87 0.00 0.00 58.31 55.57 1xdx n LYS 73 Cb 0.43 0.00 -0.09 0.00 -1.84 0.00 0.00 35.03 33.53 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 -3.01 2.26 0.18 4.39 0.23 -1.26 -4.48 115.26 113.57 1xdx n ASN 74 Ca 0.00 -0.00 0.06 0.00 -0.53 0.00 0.00 54.58 54.11 1xdx n ASN 74 Cb 0.00 0.75 0.26 0.00 -2.08 0.00 0.00 39.78 38.71 1xdx n ASN 74 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 1xdx h GLY 75 N 2.18 0.00 -3.90 4.83 0.00 -1.97 -3.45 103.07 100.76 1xdx h GLY 75 Ca -0.30 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.50 1xdx h GLY 75 CO 0.01 0.00 0.68 0.00 0.00 0.00 0.00 176.54 177.24 1xdx s ALA 76 N -3.39 3.52 -0.15 3.60 0.00 -1.25 -4.99 121.76 119.09 1xdx s ALA 76 Ca 0.02 1.36 -0.16 0.00 0.00 0.00 0.00 51.96 53.18 1xdx s ALA 76 Cb 0.09 -3.52 -0.04 0.00 0.00 0.00 0.00 23.12 19.65 1xdx s ALA 76 CO 0.69 -0.78 0.37 0.20 0.00 0.00 0.00 175.76 176.25 1xdx s GLY 77 N -0.38 2.28 -0.03 0.00 0.00 -1.26 -4.93 107.32 102.99 1xdx s GLY 77 Ca 0.50 -0.35 -0.00 0.00 0.00 0.00 0.00 44.72 44.87 1xdx s GLY 77 CO 0.56 0.59 0.02 -2.27 0.00 0.00 0.00 173.10 172.00 1xdx s LEU 78 N 0.58 0.93 -0.16 0.66 1.98 -1.26 -5.08 118.68 116.33 1xdx s LEU 78 Ca 0.20 0.01 -0.07 0.00 -2.89 0.00 0.00 54.13 51.38 1xdx s LEU 78 Cb -0.14 -0.18 0.07 0.00 0.66 0.00 0.00 46.19 46.60 1xdx s LEU 78 CO 0.07 -0.14 0.36 -1.00 -1.89 0.00 0.00 176.35 173.75 1xdx s HIS 79 N 1.30 -0.59 0.15 5.38 3.76 -1.26 -5.16 115.29 118.86 1xdx s HIS 79 Ca -0.06 1.23 0.07 0.00 -0.15 0.00 0.00 55.06 56.15 1xdx s HIS 79 Cb -0.13 0.19 -0.04 0.00 1.11 0.00 0.00 32.58 33.71 1xdx s HIS 79 CO -0.03 -0.37 -0.02 0.99 -0.85 0.00 0.00 174.74 174.46 1xdx s THR 80 N 1.97 3.68 0.00 1.30 2.01 -1.26 -5.13 115.64 118.21 1xdx s THR 80 Ca -0.05 -1.33 0.00 0.00 0.31 0.00 0.00 61.69 60.62 1xdx s THR 80 Cb -0.11 -2.81 -0.00 0.00 0.01 0.00 0.00 72.50 69.59 1xdx s THR 80 CO -0.11 -0.03 -0.01 0.00 -0.69 0.00 0.00 174.62 173.78 1xdx s ALA 81 N -1.56 0.07 -0.29 7.40 0.00 -1.26 -5.14 121.76 120.98 1xdx s ALA 81 Ca 0.26 -0.11 -0.10 0.00 0.00 0.00 0.00 51.96 52.01 1xdx s ALA 81 Cb -0.10 0.01 0.13 0.00 0.00 0.00 0.00 23.12 23.16 1xdx s ALA 81 CO 0.17 -0.01 0.63 0.00 0.00 0.00 0.00 175.76 176.56 1xdx s ALA 82 N -0.22 -1.99 -0.24 0.00 0.00 -1.26 -5.12 121.76 112.93 1xdx s ALA 82 Ca -0.02 2.28 -0.02 0.00 0.00 0.00 0.00 51.96 54.20 1xdx s ALA 82 Cb -0.02 -1.75 0.02 0.00 0.00 0.00 0.00 23.12 21.37 1xdx s ALA 82 CO -0.00 -0.92 -0.06 0.45 0.00 0.00 0.00 175.76 175.22 1xdx s SER 83 N 2.88 4.24 0.20 0.00 0.15 -1.26 -5.11 113.70 114.81 1xdx s SER 83 Ca -0.05 -0.78 0.04 0.00 0.70 0.00 0.00 55.95 55.86 1xdx s SER 83 Cb -0.12 -1.67 -0.03 0.00 -1.71 0.00 0.00 66.02 62.49 1xdx s SER 83 CO -0.19 -0.10 0.30 0.00 1.20 0.00 0.00 173.24 174.45 1xdx n TRP 85 N -1.01 -0.66 -3.11 0.00 -0.00 -1.26 -5.00 117.44 106.39 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 0.56 0.00 -0.06 0.00 -0.00 0.00 0.00 31.31 31.81 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 -0.13 3.77 0.00 5.87 0.23 -1.26 -4.99 118.94 122.42 1xdx s TRP 86 Ca 0.00 1.38 0.00 0.00 -2.03 0.00 0.00 56.10 55.45 1xdx s TRP 86 Cb 0.00 -2.68 0.00 0.00 0.03 0.00 0.00 33.47 30.82 1xdx s TRP 86 CO 0.00 0.41 0.00 -3.47 0.96 0.00 0.00 176.95 174.85 1xdx n ASP 87 N 2.34 0.00 0.17 2.95 -0.08 -1.26 -5.04 116.55 115.63 1xdx n ASP 87 Ca -0.06 0.00 0.02 0.00 -1.51 0.00 0.00 54.79 53.24 1xdx n ASP 87 Cb 0.50 0.00 0.34 0.00 2.34 0.00 0.00 41.12 44.30 1xdx n ASP 87 CO 0.00 0.00 0.00 -1.28 0.12 0.00 0.00 177.20 176.04 1xdx h SER 88 N 0.00 0.05 -0.24 1.67 0.87 -2.00 -3.08 113.55 110.83 1xdx h SER 88 Ca 0.00 -0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.52 1xdx h SER 88 Cb 0.00 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 61.94 1xdx h SER 88 CO 0.00 0.41 0.05 0.00 -0.53 0.00 0.00 176.83 176.76 1xdx h THR 89 N 0.05 1.22 -1.70 2.23 1.03 -1.90 -3.28 112.91 110.56 1xdx h THR 89 Ca 0.00 -0.73 -0.77 0.00 -0.01 0.00 0.00 66.41 64.91 1xdx h THR 89 Cb 0.66 1.24 -0.18 0.00 -1.07 0.00 0.00 68.15 68.80 1xdx h THR 89 CO 0.05 0.23 1.79 0.35 -0.01 0.00 0.00 175.52 177.93 1xdx n THR 90 N -4.71 4.83 -3.78 0.00 -2.24 -1.16 0.39 114.28 107.61 1xdx n THR 90 Ca -0.03 -4.80 -0.24 0.00 -2.27 0.00 0.00 64.05 56.71 1xdx n THR 90 Cb 0.19 -2.20 -0.17 0.00 -2.10 0.00 0.00 70.33 66.04 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 0.07 1.78 0.00 3.42 2.15 -1.24 -4.91 116.67 117.94 1xdx s ASP 91 Ca 0.40 -0.18 0.00 0.00 0.43 0.00 0.00 52.55 53.20 1xdx s ASP 91 Cb 0.11 -0.50 0.00 0.00 -0.30 0.00 0.00 42.92 42.23 1xdx s ASP 91 CO 0.00 -0.20 0.00 0.61 -0.17 0.00 0.00 175.17 175.41 1xdx n GLY 92 N 5.12 -1.58 3.00 2.66 0.00 -1.21 -4.58 105.19 108.60 1xdx n GLY 92 Ca -0.08 0.39 -0.01 0.00 0.00 0.00 0.00 46.02 46.32 1xdx n GLY 92 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1xdx n SER 93 N -2.31 -6.18 -3.83 1.61 2.88 -1.26 -4.78 113.62 99.75 1xdx n SER 93 Ca 0.00 0.92 -0.29 0.00 -1.33 0.00 0.00 58.87 58.17 1xdx n SER 93 Cb 0.00 -2.52 -0.16 0.00 -0.75 0.00 0.00 64.21 60.78 1xdx n SER 93 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1xdx s ARG 94 N -0.53 1.09 0.08 -1.46 1.81 -0.11 -4.97 118.95 114.86 1xdx s ARG 94 Ca -0.05 -0.92 -0.01 0.00 -1.72 0.00 0.00 55.73 53.04 1xdx s ARG 94 Cb 0.00 -2.34 -0.04 0.00 -0.45 0.00 0.00 34.95 32.12 1xdx s ARG 94 CO 0.21 -0.74 0.25 -0.08 -0.68 0.00 0.00 175.30 174.25 1xdx s THR 95 N 1.55 5.34 0.02 0.02 -1.32 -1.26 0.38 115.64 120.36 1xdx s THR 95 Ca 0.01 -0.32 0.01 0.00 -1.21 0.00 0.00 61.69 60.18 1xdx s THR 95 Cb -0.18 -3.63 -0.01 0.00 -1.51 0.00 0.00 72.50 67.16 1xdx s THR 95 CO -0.12 0.11 -0.04 -0.69 -2.21 0.00 0.00 174.62 171.66 1xdx s VAL 96 N -1.55 0.29 -0.21 5.08 1.01 0.43 -3.23 120.40 122.22 1xdx s VAL 96 Ca 0.36 -0.59 0.02 0.00 0.00 0.00 0.00 61.98 61.77 1xdx s VAL 96 Cb -0.13 -0.33 0.03 0.00 0.00 0.00 0.00 36.38 35.95 1xdx s VAL 96 CO 0.27 -0.20 -0.16 -0.13 0.00 0.00 0.00 175.10 174.89 1xdx s ARG 97 N -0.84 2.71 0.01 2.72 1.81 -1.26 0.06 118.95 124.17 1xdx s ARG 97 Ca -0.06 -1.02 -0.06 0.00 -1.72 0.00 0.00 55.73 52.86 1xdx s ARG 97 Cb -0.06 -2.71 -0.05 0.00 -0.45 0.00 0.00 34.95 31.68 1xdx s ARG 97 CO -0.00 -0.35 0.27 -1.58 -0.68 0.00 0.00 175.30 172.96 1xdx s TRP 98 N 1.23 3.57 -0.01 -0.53 0.51 0.71 -4.20 118.94 120.22 1xdx s TRP 98 Ca -0.00 0.57 -0.07 0.00 -2.12 0.00 0.00 56.10 54.48 1xdx s TRP 98 Cb -0.16 -1.99 0.00 0.00 -0.81 0.00 0.00 33.47 30.52 1xdx s TRP 98 CO -0.10 0.61 0.14 -1.21 -0.51 0.00 0.00 176.95 175.88 1xdx s GLU 99 N -1.80 0.40 0.14 4.98 8.01 -1.26 -1.03 118.70 128.15 1xdx s GLU 99 Ca 0.28 -0.26 0.00 0.00 0.01 0.00 0.00 54.97 55.00 1xdx s GLU 99 Cb -0.13 0.17 0.00 0.00 -4.31 0.00 0.00 34.13 29.86 1xdx s GLU 99 CO 0.17 -0.09 0.00 0.27 0.01 0.00 0.00 175.26 175.62 1xdx n ASN 100 N 1.83 0.70 0.00 -0.19 0.23 0.20 -1.30 115.26 116.74 1xdx n ASN 100 Ca -0.20 0.22 0.00 0.00 -0.53 0.00 0.00 54.58 54.06 1xdx n ASN 100 Cb 0.56 -0.12 0.00 0.00 -2.08 0.00 0.00 39.78 38.14 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 -3.41 0.00 0.00 -3.83 -0.00 -1.25 -0.88 118.16 108.79 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 -0.38 0.00 0.00 -0.00 0.00 0.00 35.03 34.65 1xdx n LYS 101 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1xdx n SER 102 N -2.15 0.00 -4.72 -5.58 3.41 -1.26 -4.88 113.62 98.44 1xdx n SER 102 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.19 1xdx n SER 102 Cb 0.12 0.19 -0.03 0.00 -0.26 0.00 0.00 64.21 64.23 1xdx n SER 102 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 1xdx s MET 103 N -1.74 4.36 0.05 4.33 1.75 -1.26 -4.30 119.30 122.49 1xdx s MET 103 Ca 0.00 2.03 0.04 0.00 -1.25 0.00 0.00 55.69 56.51 1xdx s MET 103 Cb 0.00 -3.25 -0.04 0.00 2.84 0.00 0.00 34.83 34.39 1xdx s MET 103 CO 0.00 -0.36 -0.03 0.71 -0.65 0.00 0.00 175.02 174.69 1xdx s TYR 104 N 0.83 2.95 -0.17 4.11 2.02 -0.48 -3.90 117.35 122.71 1xdx s TYR 104 Ca 0.62 -0.03 -0.03 0.00 -0.37 0.00 0.00 57.07 57.26 1xdx s TYR 104 Cb -0.36 -1.57 0.06 0.00 -0.40 0.00 0.00 41.96 39.69 1xdx s TYR 104 CO 0.32 0.44 0.05 0.00 -1.57 0.00 0.00 175.55 174.79 1xdx s ILE 106 N 1.96 5.42 -0.04 0.00 2.07 -0.21 -0.21 121.20 130.19 1xdx s ILE 106 Ca 0.01 0.30 -0.01 0.00 -1.41 0.00 0.00 60.65 59.54 1xdx s ILE 106 Cb -0.16 -3.47 0.03 0.00 0.13 0.00 0.00 42.46 38.99 1xdx s ILE 106 CO -0.08 0.55 0.04 0.00 -1.91 0.00 0.00 174.94 173.54 1xdx s THR 108 N 1.69 2.87 -0.22 0.00 -1.32 0.22 -0.43 115.64 118.44 1xdx s THR 108 Ca -0.01 -0.74 -0.08 0.00 -1.21 0.00 0.00 61.69 59.66 1xdx s THR 108 Cb -0.13 -2.18 -0.04 0.00 -1.51 0.00 0.00 72.50 68.65 1xdx s THR 108 CO -0.03 0.54 0.08 -0.69 -2.21 0.00 0.00 174.62 172.31 1xdx s VAL 109 N 0.24 4.64 -0.55 5.08 1.01 0.16 -1.50 120.40 129.48 1xdx s VAL 109 Ca -0.10 -0.07 -0.18 0.00 0.00 0.00 0.00 61.98 61.63 1xdx s VAL 109 Cb -0.16 -3.14 0.10 0.00 0.00 0.00 0.00 36.38 33.18 1xdx s VAL 109 CO 0.06 0.38 0.60 -0.36 0.00 0.00 0.00 175.10 175.78 1xdx s PHE 110 N 1.11 3.10 -0.83 5.22 0.40 0.12 -0.93 117.98 126.16 1xdx s PHE 110 Ca 0.05 -0.96 -0.23 0.00 -0.60 0.00 0.00 56.93 55.19 1xdx s PHE 110 Cb -0.14 -3.77 0.06 0.00 0.51 0.00 0.00 43.02 39.68 1xdx s PHE 110 CO 0.04 -1.12 1.22 0.20 0.70 0.00 0.00 175.22 176.25 1xdx s GLY 111 N 3.32 1.29 -0.17 4.36 0.00 -1.26 -0.16 107.32 114.71 1xdx s GLY 111 Ca 0.09 -1.98 -0.15 0.00 0.00 0.00 0.00 44.72 42.69 1xdx s GLY 111 CO 0.07 2.40 0.35 1.08 0.00 0.00 0.00 173.10 176.99 1xdx s LEU 112 N 4.57 4.22 -1.22 0.66 1.02 0.72 -3.30 118.68 125.34 1xdx s LEU 112 Ca 0.34 0.54 -0.19 0.00 0.02 0.00 0.00 54.13 54.85 1xdx s LEU 112 Cb -0.08 -2.45 -0.01 0.00 0.02 0.00 0.00 46.19 43.67 1xdx s LEU 112 CO 0.03 0.03 1.94 0.00 0.02 0.00 0.00 176.35 178.37 1xdx n ALA 113 N 3.87 3.64 -0.52 4.21 0.00 0.16 -3.29 120.51 128.59 1xdx n ALA 113 Ca -0.10 -3.58 0.00 0.00 0.00 0.00 0.00 53.44 49.76 1xdx n ALA 113 Cb 0.52 -3.57 0.00 0.00 0.00 0.00 0.00 19.45 16.40 1xdx n ALA 113 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61