#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 0.03 2.13 -1.26 -5.05 120.64 116.49 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 -0.90 0.75 3.08 8.31 0.00 -1.26 -5.12 105.19 110.05 1xdx n GLY 3 Ca 0.00 0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 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 1.72 -0.37 1.61 1.01 -1.26 -4.66 120.40 118.45 1xdx s VAL 4 Ca 0.00 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.26 1xdx s VAL 4 Cb 0.00 -1.57 0.11 0.00 0.00 0.00 0.00 36.38 34.92 1xdx s VAL 4 CO 0.00 0.48 0.10 -0.62 0.00 0.00 0.00 175.10 175.07 1xdx s ASP 5 N 1.17 4.83 -0.04 3.32 -1.08 0.03 -4.94 116.67 119.95 1xdx s ASP 5 Ca -0.01 -2.22 -0.30 0.00 -0.52 0.00 0.00 52.55 49.50 1xdx s ASP 5 Cb -0.14 -1.67 -0.06 0.00 -1.46 0.00 0.00 42.92 39.58 1xdx s ASP 5 CO -0.06 -0.40 1.78 -2.84 0.52 0.00 0.00 175.17 174.17 1xdx s PRO 6 N 0.82 4.09 0.00 4.34 0.02 -1.21 -3.68 135.00 139.38 1xdx s PRO 6 Ca 0.11 2.28 0.00 0.00 0.02 0.00 0.00 61.00 63.41 1xdx s PRO 6 Cb -0.20 -4.07 0.00 0.00 0.02 0.00 0.00 34.50 30.25 1xdx s PRO 6 CO -0.07 -0.97 0.00 0.00 -0.33 0.00 0.00 177.00 175.63 1xdx n ALA 7 N 7.56 0.00 0.00 -1.55 0.00 0.50 -4.80 120.51 122.22 1xdx n ALA 7 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.63 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 -2.32 0.00 0.31 -1.26 -3.72 118.33 111.34 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 0.03 0.00 -0.91 0.00 0.00 33.84 32.96 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 0.00 4.12 -1.67 5.55 1.02 -1.26 -5.01 120.64 123.39 1xdx n GLU 9 Ca 0.00 -4.15 -0.45 0.00 -0.02 0.00 0.00 57.16 52.53 1xdx n GLU 9 Cb 0.00 -2.37 -0.04 0.00 -0.02 0.00 0.00 31.44 29.01 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 -0.29 2.51 -3.99 3.49 2.13 -1.26 -3.74 120.64 119.49 1xdx n GLU 10 Ca 0.49 0.92 -0.34 0.00 0.66 0.00 0.00 57.16 58.89 1xdx n GLU 10 Cb 0.26 -2.83 -0.06 0.00 0.27 0.00 0.00 31.44 29.08 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 4.35 3.78 0.00 4.31 0.00 -1.26 -4.85 121.76 128.09 1xdx s ALA 11 Ca 0.91 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 52.10 1xdx s ALA 11 Cb -0.56 -1.78 0.00 0.00 0.00 0.00 0.00 23.12 20.78 1xdx s ALA 11 CO 0.47 0.69 0.00 0.00 0.00 0.00 0.00 175.76 176.92 1xdx n ALA 12 N 1.30 0.00 -0.23 0.00 0.00 -1.12 -3.79 120.51 116.68 1xdx n ALA 12 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 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 -0.15 0.00 -3.79 0.00 7.35 -1.26 -5.02 117.46 114.58 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 0.20 -0.13 0.00 0.35 0.00 0.00 39.48 39.91 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 -0.77 2.05 0.00 -2.13 1.01 -1.26 -4.92 120.40 114.38 1xdx s VAL 14 Ca 0.00 -3.32 0.00 0.00 0.00 0.00 0.00 61.98 58.66 1xdx s VAL 14 Cb 0.00 -2.39 0.00 0.00 0.00 0.00 0.00 36.38 33.99 1xdx s VAL 14 CO 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 175.10 174.15 1xdx n ALA 15 N 2.83 0.00 0.03 5.51 0.00 -1.26 -4.96 120.51 122.66 1xdx n ALA 15 Ca 0.14 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.48 1xdx n ALA 15 Cb 0.36 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.73 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 0.00 -0.15 -0.77 0.00 1.82 -1.97 0.43 116.42 115.77 1xdx h ASP 16 Ca 0.00 -0.38 0.10 0.00 -0.39 0.00 0.00 57.03 56.36 1xdx h ASP 16 Cb 0.00 0.04 -0.05 0.00 0.68 0.00 0.00 39.33 40.00 1xdx h ASP 16 CO 0.00 0.44 0.51 -0.78 -1.61 0.00 0.00 179.24 177.80 1xdx h ASP 17 N -0.90 0.63 0.78 2.28 3.58 -2.01 -0.24 116.42 120.54 1xdx h ASP 17 Ca -0.02 0.02 -0.25 0.00 0.42 0.00 0.00 57.03 57.20 1xdx h ASP 17 Cb 0.52 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.44 1xdx h ASP 17 CO 0.03 0.37 -1.18 0.58 -2.88 0.00 0.00 179.24 176.16 1xdx h VAL 18 N 0.70 1.53 -0.45 2.25 2.07 -1.97 -3.21 116.25 117.16 1xdx h VAL 18 Ca 0.36 -3.19 0.04 0.00 0.82 0.00 0.00 66.70 64.72 1xdx h VAL 18 Cb 0.46 2.85 -0.04 0.00 -1.52 0.00 0.00 31.29 33.04 1xdx h VAL 18 CO -0.13 0.90 0.23 -1.28 0.02 0.00 0.00 177.57 177.31 1xdx h SER 19 N 0.03 0.32 -0.50 0.57 0.87 0.16 -1.91 113.55 113.10 1xdx h SER 19 Ca -0.09 0.02 -0.08 0.00 -1.23 0.00 0.00 61.79 60.41 1xdx h SER 19 Cb 1.88 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 63.79 1xdx h SER 19 CO 0.16 0.23 -0.00 -0.55 -0.53 0.00 0.00 176.83 176.14 1xdx h ASN 20 N 0.45 0.88 -0.82 6.23 7.08 -1.41 -2.51 115.58 125.48 1xdx h ASN 20 Ca 0.20 -0.31 0.09 0.00 -3.08 0.00 0.00 56.30 53.20 1xdx h ASN 20 Cb 0.11 -0.24 -0.07 0.00 -2.08 0.00 0.00 38.32 36.04 1xdx h ASN 20 CO -0.14 0.97 0.47 0.40 -2.08 0.00 0.00 177.43 177.05 1xdx h ILE 21 N 0.76 0.90 0.24 6.14 2.04 -1.45 0.47 117.51 126.62 1xdx h ILE 21 Ca 0.14 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.72 1xdx h ILE 21 Cb 0.52 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.66 1xdx h ILE 21 CO 0.03 0.14 -0.12 0.40 0.00 0.00 0.00 178.15 178.60 1xdx h ILE 22 N 0.78 0.82 0.52 -0.67 2.04 -1.20 -0.54 117.51 119.26 1xdx h ILE 22 Ca 0.40 -0.56 -0.03 0.00 1.00 0.00 0.00 64.86 65.67 1xdx h ILE 22 Cb 0.37 1.13 0.01 0.00 -0.74 0.00 0.00 36.82 37.58 1xdx h ILE 22 CO -0.25 0.12 -0.25 0.11 0.00 0.00 0.00 178.15 177.88 1xdx h LYS 23 N -0.62 -0.67 -0.76 2.37 1.57 -1.04 0.41 116.57 117.82 1xdx h LYS 23 Ca -0.03 0.05 0.13 0.00 -1.87 0.00 0.00 60.65 58.92 1xdx h LYS 23 Cb 0.45 0.15 -0.05 0.00 0.08 0.00 0.00 32.23 32.86 1xdx h LYS 23 CO 0.06 -0.44 0.50 0.93 -0.57 0.00 0.00 179.45 179.93 1xdx h GLU 24 N -0.73 0.52 -0.03 3.15 3.07 -0.15 0.21 114.58 120.61 1xdx h GLU 24 Ca -0.07 -0.03 -0.04 0.00 -0.50 0.00 0.00 59.36 58.71 1xdx h GLU 24 Cb 0.55 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 28.35 1xdx h GLU 24 CO 0.12 0.34 -0.15 0.77 -1.40 0.00 0.00 179.01 178.69 1xdx h SER 25 N 0.53 0.19 -1.01 1.42 0.02 -0.58 -3.01 113.55 111.12 1xdx h SER 25 Ca 0.37 -0.65 0.02 0.00 -0.84 0.00 0.00 61.79 60.69 1xdx h SER 25 Cb 0.68 -0.06 -0.05 0.00 0.14 0.00 0.00 62.40 63.11 1xdx h SER 25 CO -0.13 0.81 0.67 0.40 -1.14 0.00 0.00 176.83 177.44 1xdx h ILE 26 N -0.42 1.23 -0.99 3.27 5.03 0.58 1.49 117.51 127.70 1xdx h ILE 26 Ca -0.01 -0.46 0.20 0.00 -0.12 0.00 0.00 64.86 64.47 1xdx h ILE 26 Cb 0.80 -0.22 -0.11 0.00 -3.03 0.00 0.00 36.82 34.26 1xdx h ILE 26 CO 0.03 0.24 0.59 -0.78 -0.68 0.00 0.00 178.15 177.55 1xdx h ASP 27 N 1.34 0.72 0.16 1.72 1.82 -0.62 0.89 116.42 122.44 1xdx h ASP 27 Ca 0.38 0.11 -0.36 0.00 -0.39 0.00 0.00 57.03 56.77 1xdx h ASP 27 Cb -0.10 -0.01 -0.02 0.00 0.68 0.00 0.00 39.33 39.88 1xdx h ASP 27 CO -0.10 0.22 -1.96 0.00 -1.61 0.00 0.00 179.24 175.79 1xdx n ALA 28 N -2.34 0.92 0.57 -0.78 0.00 -0.15 -1.47 120.51 117.27 1xdx n ALA 28 Ca 0.24 -0.59 0.09 0.00 0.00 0.00 0.00 53.44 53.18 1xdx n ALA 28 Cb 0.61 -0.71 0.40 0.00 0.00 0.00 0.00 19.45 19.75 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 -3.45 0.78 -0.00 0.00 0.31 0.49 -0.61 118.33 115.85 1xdx n VAL 29 Ca -0.30 0.17 -0.00 0.00 -0.01 0.00 0.00 64.34 64.20 1xdx n VAL 29 Cb 1.05 -0.93 -0.00 0.00 -0.91 0.00 0.00 33.84 33.05 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 -1.69 0.78 0.03 7.52 7.99 0.30 -4.65 117.00 127.28 1xdx n LEU 30 Ca 0.04 -0.00 0.12 0.00 -0.01 0.00 0.00 56.01 56.15 1xdx n LEU 30 Cb 0.22 0.00 0.11 0.00 -0.11 0.00 0.00 43.42 43.64 1xdx n LEU 30 CO 0.18 0.13 0.19 1.67 -1.51 0.00 0.00 177.39 178.05 1xdx n GLN 31 N -2.14 0.24 -0.57 3.23 7.27 -0.54 -4.30 117.38 120.57 1xdx n GLN 31 Ca -0.00 0.03 0.47 0.00 0.07 0.00 0.00 57.00 57.56 1xdx n GLN 31 Cb 0.50 -1.61 0.79 0.00 2.41 0.00 0.00 30.24 32.34 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 0.01 -0.64 1.69 7.08 -1.01 -3.43 115.58 119.28 1xdx h ASN 32 Ca 0.00 0.01 0.00 0.00 -3.08 0.00 0.00 56.30 53.23 1xdx h ASN 32 Cb 0.69 0.01 0.00 0.00 -2.08 0.00 0.00 38.32 36.94 1xdx h ASN 32 CO 0.00 -0.01 0.00 1.67 -2.08 0.00 0.00 177.43 177.01 1xdx n GLN 33 N -4.05 0.00 -1.92 4.14 7.27 -1.26 -5.12 117.38 116.44 1xdx n GLN 33 Ca 0.38 0.00 -0.29 0.00 0.07 0.00 0.00 57.00 57.15 1xdx n GLN 33 Cb 1.74 0.00 0.06 0.00 2.41 0.00 0.00 30.24 34.45 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 -0.51 2.55 -0.23 3.69 0.74 -1.26 -4.95 119.66 119.70 1xdx s GLN 34 Ca 0.00 0.31 -0.28 0.00 0.05 0.00 0.00 55.36 55.43 1xdx s GLN 34 Cb 0.00 -2.01 -0.04 0.00 1.10 0.00 0.00 33.01 32.05 1xdx s GLN 34 CO 0.00 -1.21 2.10 -0.47 -0.55 0.00 0.00 175.29 175.16 1xdx s TYR 35 N -3.41 1.34 -0.05 1.67 6.14 -1.26 -4.97 117.35 116.81 1xdx s TYR 35 Ca 0.59 0.51 0.05 0.00 0.64 0.00 0.00 57.07 58.87 1xdx s TYR 35 Cb -0.11 -3.99 -0.02 0.00 0.42 0.00 0.00 41.96 38.26 1xdx s TYR 35 CO 0.50 -3.87 -0.21 -1.12 0.64 0.00 0.00 175.55 171.49 1xdx s SER 36 N 7.50 3.40 0.13 4.32 0.01 -1.26 -5.02 113.70 122.77 1xdx s SER 36 Ca 0.94 -0.40 -0.12 0.00 1.31 0.00 0.00 55.95 57.68 1xdx s SER 36 Cb -0.31 -0.80 -0.06 0.00 0.21 0.00 0.00 66.02 65.07 1xdx s SER 36 CO 0.35 0.28 1.46 -0.08 0.41 0.00 0.00 173.24 175.66 1xdx h GLU 37 N 5.80 0.86 0.00 12.44 4.57 -1.98 0.86 114.58 137.14 1xdx h GLU 37 Ca -0.38 -0.45 -0.01 0.00 -1.18 0.00 0.00 59.36 57.34 1xdx h GLU 37 Cb 1.16 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.76 1xdx h GLU 37 CO 0.49 1.09 -0.06 0.00 -1.18 0.00 0.00 179.01 179.34 1xdx h ALA 38 N 0.75 1.73 0.00 2.92 0.00 -2.01 -1.15 119.26 121.50 1xdx h ALA 38 Ca 0.06 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xdx h ALA 38 Cb 0.93 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1xdx h ALA 38 CO 0.09 0.08 -1.16 1.63 0.00 0.00 0.00 179.25 179.89 1xdx n LYS 39 N -4.23 0.37 -0.24 0.00 4.01 -0.95 -3.77 118.16 113.35 1xdx n LYS 39 Ca -0.03 -0.01 0.30 0.00 -0.51 0.00 0.00 58.31 58.05 1xdx n LYS 39 Cb 0.15 -1.61 0.70 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 0.51 0.00 -0.18 2.07 0.21 1.31 116.25 120.17 1xdx h VAL 40 Ca 0.00 -0.02 -0.18 0.00 0.82 0.00 0.00 66.70 67.32 1xdx h VAL 40 Cb 0.79 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 1xdx h VAL 40 CO 0.00 0.01 -1.68 -1.20 0.02 0.00 0.00 177.57 174.72 1xdx n SER 41 N -4.29 2.59 0.11 0.57 7.64 -1.26 -4.49 113.62 114.50 1xdx n SER 41 Ca 0.21 -0.00 -0.02 0.00 1.01 0.00 0.00 58.87 60.07 1xdx n SER 41 Cb 1.03 0.69 0.22 0.00 -1.01 0.00 0.00 64.21 65.14 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 0.17 -0.12 1.43 7.50 -1.49 -3.10 115.11 119.49 1xdx h GLN 42 Ca -0.27 -0.09 0.01 0.00 0.50 0.00 0.00 58.65 58.81 1xdx h GLN 42 Cb 1.60 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 29.11 1xdx h GLN 42 CO 0.01 0.60 -0.15 -1.49 -1.50 0.00 0.00 178.83 176.30 1xdx h TRP 43 N 0.14 -0.47 -0.23 2.96 6.55 0.15 0.53 115.95 125.58 1xdx h TRP 43 Ca 0.01 0.02 0.07 0.00 0.95 0.00 0.00 58.89 59.94 1xdx h TRP 43 Cb 0.87 0.22 -0.01 0.00 -0.86 0.00 0.00 29.16 29.38 1xdx h TRP 43 CO 0.01 -0.13 0.24 0.00 -1.05 0.00 0.00 178.44 177.51 1xdx h THR 44 N -0.10 0.48 -0.22 1.49 1.03 -1.78 0.21 112.91 114.02 1xdx h THR 44 Ca 0.02 0.00 -0.20 0.00 -0.01 0.00 0.00 66.41 66.22 1xdx h THR 44 Cb 0.16 0.81 0.00 0.00 -1.07 0.00 0.00 68.15 68.05 1xdx h THR 44 CO -0.17 0.00 -0.66 0.28 -0.01 0.00 0.00 175.52 174.96 1xdx h SER 45 N 0.00 0.95 -0.12 0.00 0.02 -0.61 -1.21 113.55 112.58 1xdx h SER 45 Ca 0.11 -0.56 -0.06 0.00 -0.84 0.00 0.00 61.79 60.43 1xdx h SER 45 Cb 0.60 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 1xdx h SER 45 CO -0.00 1.36 -0.10 0.28 -1.14 0.00 0.00 176.83 177.23 1xdx h SER 46 N 0.60 0.42 -0.47 3.07 0.02 0.31 -1.19 113.55 116.30 1xdx h SER 46 Ca -0.02 -0.10 -0.10 0.00 -0.84 0.00 0.00 61.79 60.73 1xdx h SER 46 Cb 1.28 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.69 1xdx h SER 46 CO 0.14 0.56 -0.09 0.00 -1.14 0.00 0.00 176.83 176.30 1xdx h LEU 48 N 0.85 0.66 -0.12 0.00 4.07 -0.08 1.20 115.31 121.89 1xdx h LEU 48 Ca 0.14 -0.01 -0.22 0.00 0.08 0.00 0.00 57.88 57.87 1xdx h LEU 48 Cb 0.63 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 42.21 1xdx h LEU 48 CO 0.04 0.45 -1.00 -0.08 -1.08 0.00 0.00 178.44 176.77 1xdx h GLU 49 N 0.76 0.23 -0.02 1.13 4.81 -0.54 -0.81 114.58 120.14 1xdx h GLU 49 Ca 0.26 -0.30 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1xdx h GLU 49 Cb 0.09 0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.56 1xdx h GLU 49 CO -0.07 1.06 0.00 0.72 -0.73 0.00 0.00 179.01 179.98 1xdx n HIS 50 N -3.61 0.02 -0.08 0.92 8.25 0.95 -1.91 115.22 119.75 1xdx n HIS 50 Ca -0.05 -0.01 -0.14 0.00 -0.26 0.00 0.00 57.72 57.26 1xdx n HIS 50 Cb 0.88 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.92 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 -0.24 1.26 0.03 0.00 -0.00 -1.21 0.21 117.51 117.56 1xdx h ILE 52 Ca -0.39 -1.24 -0.22 0.00 -0.00 0.00 0.00 64.86 63.01 1xdx h ILE 52 Cb 1.49 1.34 -0.01 0.00 -0.00 0.00 0.00 36.82 39.64 1xdx h ILE 52 CO -0.14 0.39 -0.97 0.11 -0.00 0.00 0.00 178.15 177.55 1xdx h LYS 53 N 0.41 0.24 0.03 2.19 6.56 -1.61 -3.00 116.57 121.39 1xdx h LYS 53 Ca 0.06 -0.29 -0.14 0.00 -1.06 0.00 0.00 60.65 59.22 1xdx h LYS 53 Cb 0.65 0.09 0.01 0.00 -0.57 0.00 0.00 32.23 32.41 1xdx h LYS 53 CO 0.05 1.04 -0.58 -0.09 -2.06 0.00 0.00 179.45 177.80 1xdx h ARG 54 N 0.12 0.34 -0.74 3.15 1.12 -1.60 -2.83 114.38 113.95 1xdx h ARG 54 Ca -0.07 -0.41 0.03 0.00 -1.11 0.00 0.00 59.98 58.43 1xdx h ARG 54 Cb 1.63 0.12 -0.05 0.00 -0.01 0.00 0.00 29.97 31.67 1xdx h ARG 54 CO 0.15 1.10 0.46 -0.07 -3.11 0.00 0.00 179.97 178.51 1xdx h LEU 55 N -0.24 0.75 -1.19 3.80 3.38 -0.69 -0.06 115.31 121.07 1xdx h LEU 55 Ca -0.08 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 1xdx h LEU 55 Cb 1.33 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 1xdx h LEU 55 CO 0.11 0.52 -0.34 0.71 0.09 0.00 0.00 178.44 179.53 1xdx h THR 56 N 0.90 1.26 -0.68 0.22 1.35 -1.62 0.36 112.91 114.70 1xdx h THR 56 Ca 0.30 -1.25 -0.06 0.00 -0.55 0.00 0.00 66.41 64.84 1xdx h THR 56 Cb 0.04 1.60 -0.03 0.00 -1.73 0.00 0.00 68.15 68.02 1xdx h THR 56 CO -0.12 0.37 0.18 0.00 -0.25 0.00 0.00 175.52 175.70 1xdx h ALA 57 N 1.56 1.02 0.00 6.62 0.00 -0.81 -2.09 119.26 125.56 1xdx h ALA 57 Ca 0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1xdx h ALA 57 Cb 0.65 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1xdx h ALA 57 CO 0.05 0.64 -0.18 -0.07 0.00 0.00 0.00 179.25 179.70 1xdx h LEU 58 N 1.03 0.00 -3.01 0.00 -0.00 -0.41 -3.49 115.31 109.42 1xdx h LEU 58 Ca 0.22 0.00 -0.15 0.00 -0.00 0.00 0.00 57.88 57.95 1xdx h LEU 58 Cb 0.34 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.01 1xdx h LEU 58 CO -0.00 0.05 -0.97 -0.46 -0.00 0.00 0.00 178.44 177.06 1xdx n ASN 59 N -3.06 -6.70 0.00 -0.43 0.23 0.12 -5.04 115.26 100.38 1xdx n ASN 59 Ca 0.03 0.38 0.00 0.00 -0.53 0.00 0.00 54.58 54.47 1xdx n ASN 59 Cb 0.56 -3.02 0.00 0.00 -2.08 0.00 0.00 39.78 35.23 1xdx n ASN 59 CO 0.00 0.00 0.00 2.29 -0.93 0.00 0.00 177.26 178.62 1xdx n LYS 60 N 0.31 0.00 0.00 -3.83 2.85 -1.25 -4.95 118.16 111.28 1xdx n LYS 60 Ca -0.01 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.25 1xdx n LYS 60 Cb 0.48 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.86 1xdx n LYS 60 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 1xdx n PRO 61 N 0.00 0.00 0.00 -1.58 -0.05 -1.26 -4.99 135.00 127.12 1xdx n PRO 61 Ca 0.00 0.15 0.00 0.00 -0.05 0.00 0.00 63.50 63.60 1xdx n PRO 61 Cb 0.00 -0.58 0.00 0.00 -0.05 0.00 0.00 33.50 32.87 1xdx n PRO 61 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 175.50 175.79 1xdx n PHE 62 N -1.28 -0.11 -2.42 0.54 7.35 -1.26 -4.98 117.46 115.30 1xdx n PHE 62 Ca 0.00 0.00 -0.42 0.00 -0.76 0.00 0.00 57.45 56.27 1xdx n PHE 62 Cb 0.00 0.16 -0.02 0.00 0.35 0.00 0.00 39.48 39.96 1xdx n PHE 62 CO 0.00 0.00 0.00 0.21 -0.76 0.00 0.00 176.76 176.21 1xdx s LYS 63 N -0.32 3.41 -0.38 -4.13 2.20 -0.20 -4.90 119.74 115.42 1xdx s LYS 63 Ca 0.00 0.54 -0.11 0.00 -0.36 0.00 0.00 55.97 56.04 1xdx s LYS 63 Cb 0.00 -4.08 0.04 0.00 -1.51 0.00 0.00 37.83 32.28 1xdx s LYS 63 CO 0.00 -1.79 0.22 0.71 -0.36 0.00 0.00 175.35 174.13 1xdx s TYR 64 N 5.69 3.26 -0.59 4.03 2.02 -1.26 -0.26 117.35 130.23 1xdx s TYR 64 Ca 0.53 -1.06 -0.06 0.00 -0.37 0.00 0.00 57.07 56.11 1xdx s TYR 64 Cb -0.11 -2.53 0.15 0.00 -0.40 0.00 0.00 41.96 39.08 1xdx s TYR 64 CO 0.27 -0.69 0.44 0.54 -1.57 0.00 0.00 175.55 174.54 1xdx s VAL 65 N 1.53 4.08 -0.11 0.71 0.11 -0.28 -4.91 120.40 121.53 1xdx s VAL 65 Ca 0.02 -2.48 -0.21 0.00 -2.93 0.00 0.00 61.98 56.37 1xdx s VAL 65 Cb -0.20 -3.65 -0.04 0.00 -1.53 0.00 0.00 36.38 30.96 1xdx s VAL 65 CO 0.06 -0.85 0.62 -0.69 -3.33 0.00 0.00 175.10 170.91 1xdx s VAL 66 N 0.47 5.08 -0.02 2.04 1.01 -1.26 -0.70 120.40 127.03 1xdx s VAL 66 Ca 0.13 1.25 0.01 0.00 0.00 0.00 0.00 61.98 63.37 1xdx s VAL 66 Cb -0.20 -3.95 0.01 0.00 0.00 0.00 0.00 36.38 32.23 1xdx s VAL 66 CO -0.04 0.25 -0.05 0.28 0.00 0.00 0.00 175.10 175.54 1xdx s THR 67 N 0.97 0.44 -0.03 3.92 -1.32 0.33 -4.92 115.64 115.04 1xdx s THR 67 Ca 0.32 -0.17 0.01 0.00 -1.21 0.00 0.00 61.69 60.64 1xdx s THR 67 Cb -0.16 -0.42 0.02 0.00 -1.51 0.00 0.00 72.50 70.42 1xdx s THR 67 CO 0.14 0.16 -0.01 0.00 -2.21 0.00 0.00 174.62 172.70 1xdx s ILE 69 N 0.82 3.60 -0.03 0.00 1.09 0.15 -4.89 121.20 121.94 1xdx s ILE 69 Ca -0.09 -0.60 -0.03 0.00 -1.10 0.00 0.00 60.65 58.83 1xdx s ILE 69 Cb -0.12 -2.49 -0.04 0.00 -1.06 0.00 0.00 42.46 38.75 1xdx s ILE 69 CO -0.01 0.54 0.16 0.27 -0.10 0.00 0.00 174.94 175.79 1xdx s ILE 70 N -0.86 5.32 -0.26 2.92 -5.25 -1.26 0.09 121.20 121.91 1xdx s ILE 70 Ca 0.14 -0.14 0.02 0.00 -0.99 0.00 0.00 60.65 59.68 1xdx s ILE 70 Cb -0.11 -3.45 0.06 0.00 2.95 0.00 0.00 42.46 41.92 1xdx s ILE 70 CO 0.03 0.38 -0.06 -0.04 -1.79 0.00 0.00 174.94 173.46 1xdx s MET 71 N -1.73 1.83 -0.04 0.37 -1.94 0.16 -4.92 119.30 113.03 1xdx s MET 71 Ca 0.24 -1.22 -0.30 0.00 -1.71 0.00 0.00 55.69 52.71 1xdx s MET 71 Cb -0.12 -2.75 -0.05 0.00 2.01 0.00 0.00 34.83 33.92 1xdx s MET 71 CO 0.15 -0.63 1.53 -1.14 -0.01 0.00 0.00 175.02 174.93 1xdx s GLN 72 N 1.24 4.22 1.66 2.03 2.00 -1.26 -1.01 119.66 128.53 1xdx s GLN 72 Ca -0.05 2.08 0.00 0.00 -2.00 0.00 0.00 55.36 55.39 1xdx s GLN 72 Cb -0.19 -3.79 0.00 0.00 0.80 0.00 0.00 33.01 29.83 1xdx s GLN 72 CO -0.06 -0.74 0.00 1.63 -0.50 0.00 0.00 175.29 175.62 1xdx n LYS 73 N 6.35 -0.01 -3.83 1.67 5.02 -1.26 -4.50 118.16 121.61 1xdx n LYS 73 Ca 0.15 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.16 1xdx n LYS 73 Cb 0.43 -0.01 -0.13 0.00 -0.02 0.00 0.00 35.03 35.31 1xdx n LYS 73 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1xdx s ASN 74 N -4.01 4.16 0.00 4.39 2.20 -1.26 -3.91 114.94 116.51 1xdx s ASN 74 Ca 0.00 -3.36 0.00 0.00 -0.94 0.00 0.00 52.86 48.56 1xdx s ASN 74 Cb 0.00 -1.42 0.00 0.00 -2.00 0.00 0.00 41.25 37.83 1xdx s ASN 74 CO 0.00 -0.16 0.00 0.61 -2.94 0.00 0.00 177.10 174.61 1xdx n GLY 75 N 2.61 0.03 3.77 0.45 0.00 -1.26 -5.14 105.19 105.66 1xdx n GLY 75 Ca 0.15 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.77 3.51 -0.20 4.61 0.00 -1.26 -4.99 121.76 122.66 1xdx s ALA 76 Ca 0.00 1.36 -0.13 0.00 0.00 0.00 0.00 51.96 53.20 1xdx s ALA 76 Cb 0.00 -3.52 -0.05 0.00 0.00 0.00 0.00 23.12 19.55 1xdx s ALA 76 CO 0.00 -0.79 0.24 0.20 0.00 0.00 0.00 175.76 175.42 1xdx s GLY 77 N -0.39 2.09 -0.01 0.00 0.00 -1.26 -5.03 107.32 102.73 1xdx s GLY 77 Ca 0.50 -0.63 0.01 0.00 0.00 0.00 0.00 44.72 44.60 1xdx s GLY 77 CO 0.56 0.43 -0.01 -2.27 0.00 0.00 0.00 173.10 171.81 1xdx s LEU 78 N 0.75 1.85 -0.05 0.66 1.98 -1.26 -5.14 118.68 117.47 1xdx s LEU 78 Ca 0.13 -0.03 -0.02 0.00 -2.89 0.00 0.00 54.13 51.32 1xdx s LEU 78 Cb -0.13 -0.11 0.03 0.00 0.66 0.00 0.00 46.19 46.64 1xdx s LEU 78 CO 0.03 -0.00 0.07 -1.00 -1.89 0.00 0.00 176.35 173.56 1xdx s HIS 79 N 0.15 0.04 0.20 5.38 3.76 -1.26 -5.15 115.29 118.40 1xdx s HIS 79 Ca -0.01 0.29 -0.02 0.00 -0.15 0.00 0.00 55.06 55.16 1xdx s HIS 79 Cb -0.03 -0.46 -0.05 0.00 1.11 0.00 0.00 32.58 33.15 1xdx s HIS 79 CO -0.00 -0.20 0.41 0.99 -0.85 0.00 0.00 174.74 175.08 1xdx s THR 80 N 2.18 5.17 -0.04 1.30 2.01 -1.26 -5.11 115.64 119.90 1xdx s THR 80 Ca 0.05 -0.21 -0.04 0.00 0.31 0.00 0.00 61.69 61.80 1xdx s THR 80 Cb -0.12 -3.70 0.01 0.00 0.01 0.00 0.00 72.50 68.69 1xdx s THR 80 CO -0.03 -0.14 0.10 0.00 -0.69 0.00 0.00 174.62 173.86 1xdx s ALA 81 N -1.84 -0.25 -0.27 7.40 0.00 -1.26 -5.15 121.76 120.38 1xdx s ALA 81 Ca 0.40 0.24 -0.13 0.00 0.00 0.00 0.00 51.96 52.47 1xdx s ALA 81 Cb -0.11 -0.15 0.10 0.00 0.00 0.00 0.00 23.12 22.96 1xdx s ALA 81 CO 0.28 -0.06 0.64 0.00 0.00 0.00 0.00 175.76 176.61 1xdx s ALA 82 N -0.08 -1.83 -0.30 0.00 0.00 -1.26 -5.13 121.76 113.15 1xdx s ALA 82 Ca -0.01 2.27 -0.16 0.00 0.00 0.00 0.00 51.96 54.05 1xdx s ALA 82 Cb -0.01 -1.51 -0.02 0.00 0.00 0.00 0.00 23.12 21.57 1xdx s ALA 82 CO 0.00 -0.59 0.44 0.45 0.00 0.00 0.00 175.76 176.06 1xdx s SER 83 N 2.13 6.30 -0.13 0.00 0.15 -1.26 -5.06 113.70 115.83 1xdx s SER 83 Ca -0.08 0.17 -0.03 0.00 0.70 0.00 0.00 55.95 56.71 1xdx s SER 83 Cb -0.08 -2.24 -0.03 0.00 -1.71 0.00 0.00 66.02 61.96 1xdx s SER 83 CO -0.19 -0.31 -0.03 0.00 1.20 0.00 0.00 173.24 173.91 1xdx h TRP 85 N 6.15 0.40 -1.00 0.00 7.01 -2.03 -3.46 115.95 123.01 1xdx h TRP 85 Ca -0.38 -0.22 -0.65 0.00 2.11 0.00 0.00 58.89 59.74 1xdx h TRP 85 Cb 1.19 -0.04 -0.13 0.00 -2.10 0.00 0.00 29.16 28.07 1xdx h TRP 85 CO 0.56 1.04 -0.55 -1.58 -2.79 0.00 0.00 178.44 175.11 1xdx s TRP 86 N -3.22 2.19 0.00 2.65 0.52 -1.26 -5.04 118.94 114.78 1xdx s TRP 86 Ca -0.04 -0.81 0.00 0.00 0.02 0.00 0.00 56.10 55.27 1xdx s TRP 86 Cb 0.10 -1.70 0.00 0.00 -1.15 0.00 0.00 33.47 30.72 1xdx s TRP 86 CO 0.84 0.33 0.00 -3.47 0.02 0.00 0.00 176.95 174.67 1xdx n ASP 87 N -1.13 0.00 0.21 2.95 -0.08 -1.26 -4.21 116.55 113.03 1xdx n ASP 87 Ca -0.12 0.00 0.07 0.00 -1.51 0.00 0.00 54.79 53.23 1xdx n ASP 87 Cb 0.67 0.08 0.59 0.00 2.34 0.00 0.00 41.12 44.79 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 0.09 0.00 1.67 0.87 -1.97 -3.28 113.55 110.93 1xdx h SER 88 Ca 0.00 -0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 60.29 1xdx h SER 88 Cb 0.00 -0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 61.89 1xdx h SER 88 CO 0.00 0.08 -1.94 1.07 -0.53 0.00 0.00 176.83 175.50 1xdx n THR 89 N -4.51 0.94 0.00 2.23 5.66 -1.26 -4.98 114.28 112.36 1xdx n THR 89 Ca -0.02 -0.32 0.00 0.00 -3.05 0.00 0.00 64.05 60.66 1xdx n THR 89 Cb 0.10 -1.31 0.00 0.00 -1.55 0.00 0.00 70.33 67.57 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 -3.26 0.00 -1.41 1.09 -2.24 -1.24 -1.07 114.28 106.16 1xdx n THR 90 Ca -0.31 0.00 -0.50 0.00 -2.27 0.00 0.00 64.05 60.97 1xdx n THR 90 Cb 0.79 -0.37 -0.10 0.00 -2.10 0.00 0.00 70.33 68.54 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 0.00 1.27 -0.09 3.42 -0.08 -1.24 -3.41 116.55 116.42 1xdx n ASP 91 Ca 0.00 0.35 -0.12 0.00 -1.51 0.00 0.00 54.79 53.51 1xdx n ASP 91 Cb 0.00 -1.10 -0.10 0.00 2.34 0.00 0.00 41.12 42.27 1xdx n ASP 91 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1xdx n GLY 92 N 6.79 -0.38 2.12 0.27 0.00 -1.25 -4.32 105.19 108.42 1xdx n GLY 92 Ca 0.51 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.38 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 -2.92 -4.28 -3.60 1.61 2.88 -1.24 -4.90 113.62 101.17 1xdx n SER 93 Ca -0.31 1.37 -0.29 0.00 -1.33 0.00 0.00 58.87 58.31 1xdx n SER 93 Cb 0.89 -3.17 -0.15 0.00 -0.75 0.00 0.00 64.21 61.03 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 -0.27 0.38 0.25 -1.46 1.81 0.46 -4.89 118.95 115.23 1xdx s ARG 94 Ca 0.00 -0.75 -0.09 0.00 -1.72 0.00 0.00 55.73 53.18 1xdx s ARG 94 Cb 0.00 -1.43 -0.07 0.00 -0.45 0.00 0.00 34.95 33.00 1xdx s ARG 94 CO 0.00 -1.02 0.56 -0.08 -0.68 0.00 0.00 175.30 174.08 1xdx s THR 95 N 1.89 4.94 -0.09 0.02 -1.32 -1.26 0.33 115.64 120.15 1xdx s THR 95 Ca 0.10 0.39 -0.03 0.00 -1.21 0.00 0.00 61.69 60.94 1xdx s THR 95 Cb -0.17 -3.65 0.05 0.00 -1.51 0.00 0.00 72.50 67.22 1xdx s THR 95 CO -0.31 -0.14 0.13 -0.69 -2.21 0.00 0.00 174.62 171.40 1xdx s VAL 96 N -1.90 -0.21 -0.28 5.08 1.01 0.16 -2.79 120.40 121.47 1xdx s VAL 96 Ca 0.47 0.28 -0.24 0.00 0.00 0.00 0.00 61.98 62.49 1xdx s VAL 96 Cb -0.11 -0.32 -0.00 0.00 0.00 0.00 0.00 36.38 35.95 1xdx s VAL 96 CO 0.23 0.08 0.83 -0.13 0.00 0.00 0.00 175.10 176.12 1xdx s ARG 97 N 2.25 4.06 -0.19 2.72 1.81 -1.25 -0.04 118.95 128.32 1xdx s ARG 97 Ca 0.04 0.77 -0.05 0.00 -1.72 0.00 0.00 55.73 54.78 1xdx s ARG 97 Cb -0.13 -3.69 -0.02 0.00 -0.45 0.00 0.00 34.95 30.65 1xdx s ARG 97 CO -0.06 -0.63 -0.01 -1.58 -0.68 0.00 0.00 175.30 172.34 1xdx s TRP 98 N 2.97 3.04 0.01 -0.53 0.23 0.14 -4.03 118.94 120.77 1xdx s TRP 98 Ca 0.35 -0.43 0.01 0.00 -2.03 0.00 0.00 56.10 54.00 1xdx s TRP 98 Cb -0.14 -2.06 -0.01 0.00 0.03 0.00 0.00 33.47 31.29 1xdx s TRP 98 CO 0.11 -0.20 -0.05 -1.21 0.96 0.00 0.00 176.95 176.56 1xdx s GLU 99 N 0.87 0.37 0.00 4.98 2.02 -1.24 0.24 118.70 125.93 1xdx s GLU 99 Ca 0.01 -0.40 0.00 0.00 0.02 0.00 0.00 54.97 54.60 1xdx s GLU 99 Cb -0.14 -0.22 0.00 0.00 0.10 0.00 0.00 34.13 33.86 1xdx s GLU 99 CO 0.02 0.05 0.00 0.27 0.02 0.00 0.00 175.26 175.62 1xdx n ASN 100 N 2.30 0.00 -0.06 -0.19 0.23 -1.24 -0.37 115.26 115.94 1xdx n ASN 100 Ca -0.17 0.00 -0.03 0.00 -0.53 0.00 0.00 54.58 53.85 1xdx n ASN 100 Cb 0.57 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 38.25 1xdx n ASN 100 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 1xdx h LYS 101 N 0.00 0.00 0.00 -3.83 3.11 -1.87 0.12 116.57 114.09 1xdx h LYS 101 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1xdx h LYS 101 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.23 1xdx h LYS 101 CO 0.00 0.15 0.00 0.45 -2.81 0.00 0.00 179.45 177.24 1xdx n SER 102 N -4.73 0.00 -4.74 4.20 2.88 -1.26 -4.71 113.62 105.25 1xdx n SER 102 Ca -0.03 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.13 1xdx n SER 102 Cb 0.11 0.21 0.05 0.00 -0.75 0.00 0.00 64.21 63.83 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 -1.69 2.94 0.13 -1.46 0.00 -1.26 -4.24 119.30 113.71 1xdx s MET 103 Ca 0.00 2.15 0.07 0.00 0.00 0.00 0.00 55.69 57.91 1xdx s MET 103 Cb 0.00 -2.10 -0.04 0.00 0.00 0.00 0.00 34.83 32.69 1xdx s MET 103 CO 0.00 -1.33 -0.06 0.71 0.00 0.00 0.00 175.02 174.34 1xdx s TYR 104 N -1.35 2.79 -0.18 4.11 2.02 -0.18 -3.84 117.35 120.71 1xdx s TYR 104 Ca 0.76 -0.14 -0.04 0.00 -0.37 0.00 0.00 57.07 57.28 1xdx s TYR 104 Cb -0.39 -1.42 0.08 0.00 -0.40 0.00 0.00 41.96 39.84 1xdx s TYR 104 CO 0.44 0.46 0.20 0.00 -1.57 0.00 0.00 175.55 175.09 1xdx s ILE 106 N 2.31 4.98 -0.17 0.00 2.07 0.11 0.28 121.20 130.79 1xdx s ILE 106 Ca 0.06 1.08 -0.02 0.00 -1.41 0.00 0.00 60.65 60.36 1xdx s ILE 106 Cb -0.15 -3.85 0.05 0.00 0.13 0.00 0.00 42.46 38.64 1xdx s ILE 106 CO -0.11 0.44 0.02 0.00 -1.91 0.00 0.00 174.94 173.38 1xdx s THR 108 N 1.83 3.04 -0.13 0.00 -1.32 0.15 0.40 115.64 119.60 1xdx s THR 108 Ca -0.00 -1.60 0.02 0.00 -1.21 0.00 0.00 61.69 58.90 1xdx s THR 108 Cb -0.16 -2.46 0.01 0.00 -1.51 0.00 0.00 72.50 68.38 1xdx s THR 108 CO -0.07 -0.02 -0.18 -0.69 -2.21 0.00 0.00 174.62 171.44 1xdx s VAL 109 N -1.48 1.80 -0.49 5.08 1.01 0.15 -0.52 120.40 125.96 1xdx s VAL 109 Ca 0.22 -0.81 -0.12 0.00 0.00 0.00 0.00 61.98 61.27 1xdx s VAL 109 Cb -0.10 -1.62 0.12 0.00 0.00 0.00 0.00 36.38 34.78 1xdx s VAL 109 CO 0.13 0.50 0.39 -0.36 0.00 0.00 0.00 175.10 175.76 1xdx s PHE 110 N 0.99 3.35 -1.00 5.22 0.40 0.13 -0.40 117.98 126.66 1xdx s PHE 110 Ca -0.05 -1.61 -0.20 0.00 -0.60 0.00 0.00 56.93 54.48 1xdx s PHE 110 Cb -0.15 -3.53 0.10 0.00 0.51 0.00 0.00 43.02 39.95 1xdx s PHE 110 CO -0.04 -0.98 1.30 0.20 0.70 0.00 0.00 175.22 176.41 1xdx s GLY 111 N 2.92 1.70 -0.47 4.36 0.00 -1.26 -1.13 107.32 113.44 1xdx s GLY 111 Ca 0.05 -2.64 -0.20 0.00 0.00 0.00 0.00 44.72 41.93 1xdx s GLY 111 CO 0.01 2.30 0.62 1.08 0.00 0.00 0.00 173.10 177.11 1xdx s LEU 112 N 3.53 4.72 -1.08 0.66 1.02 0.64 -3.86 118.68 124.30 1xdx s LEU 112 Ca 0.40 -0.61 -0.23 0.00 0.02 0.00 0.00 54.13 53.71 1xdx s LEU 112 Cb -0.02 -2.57 -0.04 0.00 0.02 0.00 0.00 46.19 43.58 1xdx s LEU 112 CO -0.08 -0.81 1.86 0.00 0.02 0.00 0.00 176.35 177.33 1xdx s ALA 113 N 2.69 2.05 0.00 4.21 0.00 -0.23 -1.03 121.76 129.46 1xdx s ALA 113 Ca 0.18 -2.03 0.00 0.00 0.00 0.00 0.00 51.96 50.11 1xdx s ALA 113 Cb -0.16 -4.61 0.00 0.00 0.00 0.00 0.00 23.12 18.34 1xdx s ALA 113 CO 0.15 -4.65 0.21 -0.89 0.00 0.00 0.00 175.76 170.59