#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nri n SER 10 N 0.00 0.43 -1.02 -1.43 7.64 -1.26 -3.13 113.62 114.86 1nri n SER 10 Ca 0.00 0.56 0.08 0.00 1.01 0.00 0.00 58.87 60.52 1nri n SER 10 Cb 0.00 -0.67 0.24 0.00 -1.01 0.00 0.00 64.21 62.77 1nri n SER 10 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1nri n THR 11 N -1.93 1.29 -4.09 0.44 -2.24 -1.26 -4.95 114.28 101.55 1nri n THR 11 Ca 0.05 -1.13 -0.35 0.00 -2.27 0.00 0.00 64.05 60.35 1nri n THR 11 Cb 0.32 0.35 -0.13 0.00 -2.10 0.00 0.00 70.33 68.78 1nri n THR 11 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1nri s LEU 12 N -1.35 3.17 0.31 3.22 1.43 -1.18 -4.98 118.68 119.29 1nri s LEU 12 Ca 0.37 -0.23 0.00 0.00 -1.03 0.00 0.00 54.13 53.23 1nri s LEU 12 Cb 0.22 -1.80 0.52 0.00 0.03 0.00 0.00 46.19 45.16 1nri s LEU 12 CO 0.21 0.06 1.95 0.40 0.23 0.00 0.00 176.35 179.20 1nri h ILE 13 N 5.43 1.14 -0.04 -0.59 2.04 -1.89 -1.09 117.51 122.51 1nri h ILE 13 Ca -0.36 -0.35 0.01 0.00 1.00 0.00 0.00 64.86 65.16 1nri h ILE 13 Cb 1.18 0.02 -0.00 0.00 -0.74 0.00 0.00 36.82 37.28 1nri h ILE 13 CO 0.61 0.19 0.04 0.71 0.00 0.00 0.00 178.15 179.70 1nri h THR 14 N 1.03 0.55 -0.11 -0.27 1.35 -1.89 -0.45 112.91 113.12 1nri h THR 14 Ca 0.32 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.18 1nri h THR 14 Cb 0.02 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 67.40 1nri h THR 14 CO -0.09 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 174.56 1nri n GLU 15 N -3.89 2.33 -2.67 4.72 -0.58 -0.44 -3.25 120.64 116.86 1nri n GLU 15 Ca -0.02 -1.95 -0.33 0.00 -0.42 0.00 0.00 57.16 54.43 1nri n GLU 15 Cb 0.13 -1.47 -0.05 0.00 -0.57 0.00 0.00 31.44 29.48 1nri n GLU 15 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1nri s GLN 16 N -1.88 4.02 0.17 3.49 -0.21 -0.18 -4.67 119.66 120.40 1nri s GLN 16 Ca 0.31 1.21 -0.25 0.00 0.02 0.00 0.00 55.36 56.65 1nri s GLN 16 Cb 0.21 -2.14 -0.08 0.00 1.00 0.00 0.00 33.01 32.00 1nri s GLN 16 CO 0.31 -0.22 0.77 1.03 -2.12 0.00 0.00 175.29 175.05 1nri s ARG 17 N -3.27 4.53 -0.20 2.91 0.52 -1.26 -4.36 118.95 117.81 1nri s ARG 17 Ca 0.64 1.12 -0.22 0.00 -0.52 0.00 0.00 55.73 56.75 1nri s ARG 17 Cb -0.12 -3.22 -0.02 0.00 0.52 0.00 0.00 34.95 32.11 1nri s ARG 17 CO 0.17 0.56 0.71 1.21 0.02 0.00 0.00 175.30 177.97 1nri s ASN 18 N -1.19 6.76 0.53 0.23 3.84 -1.26 -4.92 114.94 118.94 1nri s ASN 18 Ca 0.36 0.94 0.23 0.00 0.21 0.00 0.00 52.86 54.59 1nri s ASN 18 Cb -0.22 -2.39 1.39 0.00 -0.55 0.00 0.00 41.25 39.47 1nri s ASN 18 CO 0.25 -0.36 2.06 -0.65 -2.79 0.00 0.00 177.10 175.61 1nri h PRO 19 N 7.53 0.00 -0.00 0.43 0.11 -1.95 -2.31 132.00 135.80 1nri h PRO 19 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1nri h PRO 19 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1nri h PRO 19 CO 0.80 0.00 -0.06 0.09 -0.21 0.00 0.00 178.00 178.63 1nri n ASN 20 N -4.36 0.38 -0.06 -2.05 4.13 -1.26 -3.85 115.26 108.19 1nri n ASN 20 Ca 0.05 -0.67 0.06 0.00 1.68 0.00 0.00 54.58 55.69 1nri n ASN 20 Cb 0.41 -0.09 0.08 0.00 -1.54 0.00 0.00 39.78 38.64 1nri n ASN 20 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1nri n SER 21 N -0.92 2.09 -0.25 6.41 3.41 -0.87 -4.77 113.62 118.71 1nri n SER 21 Ca 0.17 -2.60 0.12 0.00 -0.26 0.00 0.00 58.87 56.30 1nri n SER 21 Cb 0.24 -0.25 0.39 0.00 -0.26 0.00 0.00 64.21 64.33 1nri n SER 21 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1nri h VAL 22 N 0.31 0.85 -0.37 -3.33 2.07 -1.67 -1.94 116.25 112.18 1nri h VAL 22 Ca 0.00 -0.23 -0.23 0.00 0.82 0.00 0.00 66.70 67.06 1nri h VAL 22 Cb 0.83 0.13 -0.16 0.00 -1.52 0.00 0.00 31.29 30.57 1nri h VAL 22 CO 0.00 0.12 -0.32 -0.90 0.02 0.00 0.00 177.57 176.50 1nri n ASP 23 N -4.54 3.04 0.06 0.57 5.68 -1.26 -4.73 116.55 115.37 1nri n ASP 23 Ca 0.16 -3.82 0.05 0.00 -0.50 0.00 0.00 54.79 50.68 1nri n ASP 23 Cb 0.45 -0.56 0.48 0.00 -1.14 0.00 0.00 41.12 40.35 1nri n ASP 23 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 1nri h ILE 24 N 1.25 1.07 0.00 2.12 -0.00 -1.67 -0.38 117.51 119.90 1nri h ILE 24 Ca 0.21 -0.14 0.00 0.00 -0.00 0.00 0.00 64.86 64.93 1nri h ILE 24 Cb 1.39 0.63 0.00 0.00 -0.00 0.00 0.00 36.82 38.83 1nri h ILE 24 CO 0.42 0.07 0.00 -0.90 -0.00 0.00 0.00 178.15 177.74 1nri n ASP 25 N -4.49 0.00 0.00 2.19 5.75 -1.26 -2.32 116.55 116.42 1nri n ASP 25 Ca 0.02 -0.88 0.00 0.00 -0.01 0.00 0.00 54.79 53.91 1nri n ASP 25 Cb 0.08 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.17 1nri n ASP 25 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1nri n ARG 26 N -0.83 1.26 -3.96 0.11 3.00 -0.17 -5.07 116.66 110.99 1nri n ARG 26 Ca 0.11 -0.94 -0.24 0.00 -0.01 0.00 0.00 57.85 56.77 1nri n ARG 26 Cb 0.05 -0.83 -0.03 0.00 0.00 0.00 0.00 32.46 31.65 1nri n ARG 26 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 1nri s GLN 27 N -0.48 3.41 0.98 5.56 -0.21 -0.98 -5.10 119.66 122.84 1nri s GLN 27 Ca 0.00 -0.68 -0.11 0.00 0.02 0.00 0.00 55.36 54.59 1nri s GLN 27 Cb 0.00 -2.92 0.18 0.00 1.00 0.00 0.00 33.01 31.27 1nri s GLN 27 CO 0.00 0.48 1.09 -1.54 -2.12 0.00 0.00 175.29 173.20 1nri s SER 28 N -3.52 2.56 0.23 5.90 1.04 -1.26 -4.79 113.70 113.85 1nri s SER 28 Ca 0.34 1.75 -0.08 0.00 0.48 0.00 0.00 55.95 58.44 1nri s SER 28 Cb -0.10 -2.36 0.22 0.00 0.10 0.00 0.00 66.02 63.88 1nri s SER 28 CO 0.28 -3.25 1.90 0.74 0.98 0.00 0.00 173.24 173.89 1nri h THR 29 N -1.97 1.20 -0.49 2.02 2.02 -1.98 -1.99 112.91 111.72 1nri h THR 29 Ca -0.51 -0.39 -0.11 0.00 0.77 0.00 0.00 66.41 66.17 1nri h THR 29 Cb 1.29 -0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 1nri h THR 29 CO 0.49 0.21 -0.11 0.25 0.37 0.00 0.00 175.52 176.72 1nri h LEU 30 N 1.15 0.95 -1.28 2.58 5.85 -2.00 -2.64 115.31 119.92 1nri h LEU 30 Ca 0.33 -0.36 -0.05 0.00 0.84 0.00 0.00 57.88 58.63 1nri h LEU 30 Cb -0.09 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.66 1nri h LEU 30 CO -0.08 1.09 -0.07 -0.08 -0.34 0.00 0.00 178.44 178.95 1nri h GLU 31 N 0.80 0.40 0.02 1.25 4.57 -1.83 -0.89 114.58 118.90 1nri h GLU 31 Ca 0.12 -0.09 -0.00 0.00 -1.18 0.00 0.00 59.36 58.21 1nri h GLU 31 Cb 0.67 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.20 1nri h GLU 31 CO 0.05 0.49 -0.01 0.82 -1.18 0.00 0.00 179.01 179.18 1nri h ILE 32 N 0.38 1.27 0.00 2.32 2.04 -1.16 -2.00 117.51 120.36 1nri h ILE 32 Ca 0.08 -0.91 -0.07 0.00 1.00 0.00 0.00 64.86 64.96 1nri h ILE 32 Cb 0.37 1.87 -0.01 0.00 -0.74 0.00 0.00 36.82 38.32 1nri h ILE 32 CO 0.02 0.23 -0.35 -0.37 0.00 0.00 0.00 178.15 177.68 1nri h VAL 33 N -0.42 1.06 -0.38 1.67 -1.51 -1.37 -2.81 116.25 112.48 1nri h VAL 33 Ca -0.00 -1.28 -0.11 0.00 -1.23 0.00 0.00 66.70 64.08 1nri h VAL 33 Cb 0.40 1.73 -0.01 0.00 -2.13 0.00 0.00 31.29 31.28 1nri h VAL 33 CO 0.00 0.34 -0.17 -0.09 -1.23 0.00 0.00 177.57 176.43 1nri h ARG 34 N 0.00 0.79 -1.53 5.19 2.43 -1.11 -1.08 114.38 119.07 1nri h ARG 34 Ca -0.00 -0.34 0.00 0.00 -0.81 0.00 0.00 59.98 58.83 1nri h ARG 34 Cb 0.70 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.23 1nri h ARG 34 CO 0.05 0.96 0.00 -0.11 -1.51 0.00 0.00 179.97 179.36 1nri n LEU 35 N -4.28 0.73 0.00 3.80 7.94 -0.76 -1.28 117.00 123.16 1nri n LEU 35 Ca -0.02 -0.37 0.00 0.00 -1.11 0.00 0.00 56.01 54.52 1nri n LEU 35 Cb 0.41 -0.13 0.00 0.00 0.53 0.00 0.00 43.42 44.23 1nri n LEU 35 CO 0.44 0.13 0.00 -3.20 -1.11 0.00 0.00 177.39 173.65 1nri n ASN 37 N 0.80 0.00 -0.20 1.96 5.15 -0.41 -1.91 115.26 120.64 1nri n ASN 37 Ca 0.00 0.00 -0.09 0.00 -0.60 0.00 0.00 54.58 53.89 1nri n ASN 37 Cb 0.13 0.00 0.02 0.00 -0.53 0.00 0.00 39.78 39.39 1nri n ASN 37 CO 0.00 0.00 0.00 -0.08 1.40 0.00 0.00 177.26 178.58 1nri h GLU 38 N 0.00 1.01 -0.37 1.20 4.57 -1.46 -2.04 114.58 117.49 1nri h GLU 38 Ca 0.00 -0.31 -0.10 0.00 -1.18 0.00 0.00 59.36 57.77 1nri h GLU 38 Cb 0.00 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.48 1nri h GLU 38 CO 0.00 0.99 -0.18 0.93 -1.18 0.00 0.00 179.01 179.57 1nri h GLU 39 N 0.90 0.69 -0.58 1.92 4.39 -1.65 -2.78 114.58 117.47 1nri h GLU 39 Ca 0.17 -0.25 -0.01 0.00 0.34 0.00 0.00 59.36 59.60 1nri h GLU 39 Cb 0.53 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.10 1nri h GLU 39 CO 0.03 0.83 0.32 -0.44 -1.16 0.00 0.00 179.01 178.59 1nri h ASP 40 N 0.62 0.70 -0.00 1.42 3.32 -1.72 -1.40 116.42 119.36 1nri h ASP 40 Ca 0.10 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1nri h ASP 40 Cb 0.65 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 40.02 1nri h ASP 40 CO 0.05 0.56 0.01 0.11 -1.72 0.00 0.00 179.24 178.26 1nri h LYS 41 N 0.80 0.00 0.00 3.56 1.57 -1.09 -1.55 116.57 119.87 1nri h LYS 41 Ca 0.21 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.95 1nri h LYS 41 Cb 0.01 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1nri h LYS 41 CO -0.03 0.00 -0.26 -0.07 -0.57 0.00 0.00 179.45 178.52 1nri h LEU 42 N 0.00 0.00 -0.45 2.94 3.38 -1.32 -3.36 115.31 116.51 1nri h LEU 42 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1nri h LEU 42 Cb 0.03 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1nri h LEU 42 CO -0.00 0.16 0.12 0.58 0.09 0.00 0.00 178.44 179.39 1nri h VAL 43 N 0.00 1.23 -0.09 1.22 2.07 -1.35 -1.50 116.25 117.83 1nri h VAL 43 Ca -0.01 -0.79 -0.06 0.00 0.82 0.00 0.00 66.70 66.67 1nri h VAL 43 Cb 1.13 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 1nri h VAL 43 CO 0.02 0.28 -0.22 -0.65 0.02 0.00 0.00 177.57 177.02 1nri h PRO 44 N 0.59 0.16 -0.32 1.57 0.11 -1.73 -1.56 132.00 130.82 1nri h PRO 44 Ca 0.14 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 66.08 1nri h PRO 44 Cb 0.30 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.38 1nri h PRO 44 CO -0.00 0.38 -0.32 -0.07 -0.21 0.00 0.00 178.00 177.78 1nri h LEU 45 N 0.15 0.71 -0.86 2.35 3.38 -1.65 -1.21 115.31 118.18 1nri h LEU 45 Ca 0.03 -0.29 -0.09 0.00 0.09 0.00 0.00 57.88 57.61 1nri h LEU 45 Cb 0.47 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1nri h LEU 45 CO 0.03 0.98 -0.14 0.00 0.09 0.00 0.00 178.44 179.40 1nri h ALA 46 N 1.06 1.04 -0.21 1.53 0.00 -0.61 -2.85 119.26 119.22 1nri h ALA 46 Ca 0.07 -0.32 -0.17 0.00 0.00 0.00 0.00 54.91 54.49 1nri h ALA 46 Cb 0.83 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1nri h ALA 46 CO 0.07 0.58 -0.56 0.82 0.00 0.00 0.00 179.25 180.16 1nri h ILE 47 N 0.63 1.31 -0.98 0.00 1.08 -1.03 -3.06 117.51 115.45 1nri h ILE 47 Ca 0.10 -1.80 0.15 0.00 -0.39 0.00 0.00 64.86 62.92 1nri h ILE 47 Cb 0.60 1.75 -0.09 0.00 -3.07 0.00 0.00 36.82 36.01 1nri h ILE 47 CO 0.04 0.57 0.60 -0.08 -0.69 0.00 0.00 178.15 178.59 1nri h GLU 48 N 0.49 0.84 0.00 2.37 4.81 -0.99 0.86 114.58 122.96 1nri h GLU 48 Ca 0.01 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 1nri h GLU 48 Cb 1.13 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 30.32 1nri h GLU 48 CO 0.11 0.56 -0.08 0.77 -0.73 0.00 0.00 179.01 179.64 1nri h SER 49 N 0.87 0.00 0.01 1.04 0.02 -1.43 -2.54 113.55 111.51 1nri h SER 49 Ca 0.52 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.47 1nri h SER 49 Cb 0.65 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.19 1nri h SER 49 CO -0.32 0.08 -0.21 0.00 -1.14 0.00 0.00 176.83 175.24 1nri h LEU 51 N 3.19 0.54 -0.85 0.00 3.38 -0.97 0.68 115.31 121.28 1nri h LEU 51 Ca 0.00 0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 1nri h LEU 51 Cb 0.80 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.57 1nri h LEU 51 CO 0.00 0.08 0.51 -0.65 0.09 0.00 0.00 178.44 178.47 1nri h PRO 52 N 0.52 1.15 -0.26 1.13 0.11 -1.82 0.92 132.00 133.75 1nri h PRO 52 Ca 0.59 -0.11 -0.18 0.00 0.11 0.00 0.00 66.00 66.42 1nri h PRO 52 Cb 1.10 -0.24 -0.00 0.00 0.11 0.00 0.00 31.00 31.97 1nri h PRO 52 CO -0.48 0.81 -0.55 1.96 -0.21 0.00 0.00 178.00 179.52 1nri h GLN 53 N 1.16 0.78 -0.38 1.05 7.50 -1.34 -2.47 115.11 121.41 1nri h GLN 53 Ca 0.30 -0.50 -0.03 0.00 0.50 0.00 0.00 58.65 58.92 1nri h GLN 53 Cb -0.04 0.06 -0.02 0.00 0.05 0.00 0.00 27.48 27.53 1nri h GLN 53 CO -0.06 1.13 0.11 0.82 -1.50 0.00 0.00 178.83 179.32 1nri h ILE 54 N 0.60 1.22 -0.57 2.54 2.04 -0.67 -1.63 117.51 121.03 1nri h ILE 54 Ca 0.01 -0.73 0.01 0.00 1.00 0.00 0.00 64.86 65.15 1nri h ILE 54 Cb 1.14 0.98 -0.03 0.00 -0.74 0.00 0.00 36.82 38.17 1nri h ILE 54 CO 0.12 0.25 0.36 -1.28 0.00 0.00 0.00 178.15 177.61 1nri h SER 55 N 0.47 0.62 -0.62 1.72 0.87 -0.81 -1.29 113.55 114.49 1nri h SER 55 Ca 0.12 -0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.68 1nri h SER 55 Cb 0.28 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.06 1nri h SER 55 CO -0.00 0.44 0.40 0.25 -0.53 0.00 0.00 176.83 177.39 1nri h LEU 56 N 0.73 0.69 -0.62 2.23 5.85 -1.28 -1.31 115.31 121.60 1nri h LEU 56 Ca 0.22 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.96 1nri h LEU 56 Cb -0.05 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.78 1nri h LEU 56 CO -0.07 0.49 0.37 0.00 -0.34 0.00 0.00 178.44 178.90 1nri h ALA 57 N 1.24 0.81 -0.24 1.25 0.00 -0.60 -0.82 119.26 120.90 1nri h ALA 57 Ca 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1nri h ALA 57 Cb -0.06 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1nri h ALA 57 CO -0.07 0.10 0.15 0.28 0.00 0.00 0.00 179.25 179.72 1nri h VAL 58 N 0.73 1.08 -0.46 0.00 2.07 -0.71 0.11 116.25 119.06 1nri h VAL 58 Ca 0.25 -0.16 0.07 0.00 0.82 0.00 0.00 66.70 67.68 1nri h VAL 58 Cb 0.05 0.75 -0.06 0.00 -1.52 0.00 0.00 31.29 30.51 1nri h VAL 58 CO -0.12 0.07 0.13 -0.33 0.02 0.00 0.00 177.57 177.35 1nri h GLU 59 N 0.31 0.27 -0.20 1.57 5.08 -0.75 0.25 114.58 121.12 1nri h GLU 59 Ca 0.09 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.34 1nri h GLU 59 Cb -0.01 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1nri h GLU 59 CO -0.02 0.18 -0.29 1.96 -1.00 0.00 0.00 179.01 179.84 1nri h GLN 60 N 0.28 0.38 -0.36 2.33 1.08 -0.82 -2.45 115.11 115.55 1nri h GLN 60 Ca 0.22 -0.15 -0.17 0.00 -1.45 0.00 0.00 58.65 57.11 1nri h GLN 60 Cb 0.26 -0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.67 1nri h GLN 60 CO -0.26 0.64 -0.43 0.82 -0.95 0.00 0.00 178.83 178.65 1nri h ILE 61 N 0.34 1.27 -0.61 2.54 2.04 -0.09 -2.13 117.51 120.87 1nri h ILE 61 Ca 0.05 -1.60 -0.03 0.00 1.00 0.00 0.00 64.86 64.28 1nri h ILE 61 Cb 0.68 1.45 -0.03 0.00 -0.74 0.00 0.00 36.82 38.18 1nri h ILE 61 CO 0.05 0.53 0.28 0.58 0.00 0.00 0.00 178.15 179.60 1nri h VAL 62 N 0.74 1.22 -0.44 1.67 2.07 -0.83 0.13 116.25 120.81 1nri h VAL 62 Ca 0.05 -0.63 -0.03 0.00 0.82 0.00 0.00 66.70 66.91 1nri h VAL 62 Cb 1.03 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 1nri h VAL 62 CO 0.10 0.26 0.16 1.56 0.02 0.00 0.00 177.57 179.67 1nri h GLN 63 N 0.84 0.67 -0.50 1.57 4.20 -1.38 -0.17 115.11 120.34 1nri h GLN 63 Ca 0.21 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.79 1nri h GLN 63 Cb 0.14 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 1nri h GLN 63 CO -0.02 0.63 0.32 0.00 -0.67 0.00 0.00 178.83 179.08 1nri h ALA 64 N 1.01 0.64 -0.64 3.87 0.00 -1.07 -1.13 119.26 121.93 1nri h ALA 64 Ca 0.14 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.05 1nri h ALA 64 Cb 0.22 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 1nri h ALA 64 CO -0.01 0.10 0.37 0.74 0.00 0.00 0.00 179.25 180.45 1nri h PHE 65 N 0.67 0.69 0.00 0.00 0.05 -0.43 0.13 116.94 118.05 1nri h PHE 65 Ca 0.18 0.02 0.00 0.00 3.82 0.00 0.00 57.97 61.99 1nri h PHE 65 Cb -0.05 -0.22 0.00 0.00 2.00 0.00 0.00 35.95 37.68 1nri h PHE 65 CO -0.04 0.37 0.00 1.96 -0.18 0.00 0.00 178.31 180.42 1nri h GLN 66 N 0.72 0.00 -0.02 1.51 4.20 -0.38 -1.41 115.11 119.72 1nri h GLN 66 Ca 0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.98 1nri h GLN 66 Cb 0.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.88 1nri h GLN 66 CO -0.14 0.00 -0.02 1.04 -0.67 0.00 0.00 178.83 179.04 1nri n GLN 67 N -2.93 1.67 -0.35 1.46 3.00 -0.31 -4.92 117.38 115.01 1nri n GLN 67 Ca 0.00 -1.03 0.00 0.00 -0.01 0.00 0.00 57.00 55.96 1nri n GLN 67 Cb 0.25 -1.48 0.00 0.00 0.00 0.00 0.00 30.24 29.01 1nri n GLN 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1nri n GLY 68 N 1.21 0.81 3.94 1.08 0.00 -0.53 -5.06 105.19 106.63 1nri n GLY 68 Ca 0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.94 1nri n GLY 68 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nri s GLY 69 N -1.92 1.71 0.34 -0.02 0.00 0.29 -4.99 107.32 102.73 1nri s GLY 69 Ca 0.00 -1.09 0.10 0.00 0.00 0.00 0.00 44.72 43.73 1nri s GLY 69 CO 0.00 -0.60 -0.07 0.50 0.00 0.00 0.00 173.10 172.93 1nri s ARG 70 N -5.34 1.90 -0.29 2.90 0.52 -1.26 -4.26 118.95 113.11 1nri s ARG 70 Ca 0.63 -1.86 -0.10 0.00 -0.52 0.00 0.00 55.73 53.89 1nri s ARG 70 Cb -0.09 -1.79 -0.02 0.00 0.52 0.00 0.00 34.95 33.57 1nri s ARG 70 CO 0.46 0.16 0.15 -1.17 0.02 0.00 0.00 175.30 174.91 1nri s LEU 71 N -3.64 3.98 -0.14 2.53 0.20 -1.26 -1.31 118.68 119.04 1nri s LEU 71 Ca 0.33 -0.36 -0.01 0.00 0.69 0.00 0.00 54.13 54.78 1nri s LEU 71 Cb 0.01 -2.01 -0.01 0.00 -0.43 0.00 0.00 46.19 43.74 1nri s LEU 71 CO 0.17 -0.14 -0.11 -0.63 -0.29 0.00 0.00 176.35 175.35 1nri s ILE 72 N 1.65 3.17 -0.10 6.68 -1.09 0.38 -1.43 121.20 130.45 1nri s ILE 72 Ca 0.05 -0.61 -0.02 0.00 -2.23 0.00 0.00 60.65 57.84 1nri s ILE 72 Cb -0.16 -2.35 -0.03 0.00 -1.58 0.00 0.00 42.46 38.33 1nri s ILE 72 CO 0.07 0.51 -0.01 -0.31 -1.23 0.00 0.00 174.94 173.96 1nri s TYR 73 N 0.50 3.11 0.01 3.97 4.12 0.13 -0.51 117.35 128.67 1nri s TYR 73 Ca -0.08 0.06 0.03 0.00 0.02 0.00 0.00 57.07 57.10 1nri s TYR 73 Cb -0.15 -1.83 -0.01 0.00 -1.52 0.00 0.00 41.96 38.44 1nri s TYR 73 CO 0.04 0.32 -0.08 0.96 0.02 0.00 0.00 175.55 176.81 1nri s ILE 74 N -0.52 0.66 -0.11 2.71 -4.36 -0.71 0.37 121.20 119.23 1nri s ILE 74 Ca 0.09 -0.50 -0.33 0.00 -0.26 0.00 0.00 60.65 59.64 1nri s ILE 74 Cb -0.12 -0.58 0.14 0.00 1.25 0.00 0.00 42.46 43.15 1nri s ILE 74 CO 0.02 0.08 1.38 -0.83 0.24 0.00 0.00 174.94 175.83 1nri s GLY 75 N -0.47 -0.42 0.26 6.27 0.00 -1.03 -1.19 107.32 110.73 1nri s GLY 75 Ca 0.01 1.08 0.11 0.00 0.00 0.00 0.00 44.72 45.92 1nri s GLY 75 CO -0.00 0.26 -0.12 0.00 0.00 0.00 0.00 173.10 173.23 1nri s ALA 76 N -2.16 2.91 0.00 3.20 0.00 -1.26 -1.18 121.76 123.26 1nri s ALA 76 Ca 0.14 -1.75 0.00 0.00 0.00 0.00 0.00 51.96 50.35 1nri s ALA 76 Cb 0.05 -0.50 0.00 0.00 0.00 0.00 0.00 23.12 22.68 1nri s ALA 76 CO -0.05 0.30 0.00 0.41 0.00 0.00 0.00 175.76 176.42 1nri n GLY 77 N -0.62 2.69 0.35 0.00 0.00 -1.26 -2.11 105.19 104.25 1nri n GLY 77 Ca -0.06 -0.15 0.01 0.00 0.00 0.00 0.00 46.02 45.82 1nri n GLY 77 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1nri h THR 78 N 0.00 1.08 -0.62 2.61 2.02 -1.96 -0.39 112.91 115.66 1nri h THR 78 Ca 0.00 -0.38 -0.01 0.00 0.77 0.00 0.00 66.41 66.79 1nri h THR 78 Cb 0.00 -0.13 -0.03 0.00 -1.74 0.00 0.00 68.15 66.26 1nri h THR 78 CO 0.00 0.20 0.35 0.28 0.37 0.00 0.00 175.52 176.72 1nri h SER 79 N 1.11 0.77 -0.58 4.18 0.02 -1.75 -0.76 113.55 116.54 1nri h SER 79 Ca 0.40 -0.09 -0.08 0.00 -0.84 0.00 0.00 61.79 61.18 1nri h SER 79 Cb 0.14 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.47 1nri h SER 79 CO -0.16 0.63 0.03 1.23 -1.14 0.00 0.00 176.83 177.42 1nri h GLY 80 N 0.84 1.08 1.53 -3.77 0.00 -0.86 -2.52 103.07 99.37 1nri h GLY 80 Ca 0.22 -0.77 -0.03 0.00 0.00 0.00 0.00 47.33 46.75 1nri h GLY 80 CO -0.04 0.71 0.12 3.21 0.00 0.00 0.00 176.54 180.55 1nri h ARG 81 N 0.89 0.60 -0.12 4.80 3.08 -0.61 -1.67 114.38 121.35 1nri h ARG 81 Ca 0.17 -0.09 -0.14 0.00 0.07 0.00 0.00 59.98 59.98 1nri h ARG 81 Cb 0.51 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 1nri h ARG 81 CO 0.02 0.53 -0.55 -0.07 -1.07 0.00 0.00 179.97 178.84 1nri h LEU 82 N 0.59 0.39 -0.77 3.04 3.38 -0.91 -0.07 115.31 120.95 1nri h LEU 82 Ca 0.14 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 57.80 1nri h LEU 82 Cb 0.19 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1nri h LEU 82 CO -0.01 0.86 -0.13 1.23 0.09 0.00 0.00 178.44 180.48 1nri h GLY 83 N 1.28 0.85 0.94 0.83 0.00 -1.00 -0.52 103.07 105.46 1nri h GLY 83 Ca 0.00 -0.66 -0.07 0.00 0.00 0.00 0.00 47.33 46.60 1nri h GLY 83 CO 0.09 0.61 -0.03 -2.08 0.00 0.00 0.00 176.54 175.13 1nri h VAL 84 N 0.71 1.27 0.10 4.60 2.07 -1.00 -1.99 116.25 122.00 1nri h VAL 84 Ca 0.11 -1.06 -0.00 0.00 0.82 0.00 0.00 66.70 66.57 1nri h VAL 84 Cb 0.62 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.60 1nri h VAL 84 CO 0.04 0.35 -0.05 0.25 0.02 0.00 0.00 177.57 178.19 1nri h LEU 85 N 0.49 -0.11 -0.59 2.57 6.46 -0.66 -0.74 115.31 122.73 1nri h LEU 85 Ca 0.10 -0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.84 1nri h LEU 85 Cb 0.52 0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 40.45 1nri h LEU 85 CO 0.03 -0.06 0.32 -0.78 -0.62 0.00 0.00 178.44 177.32 1nri h ASP 86 N -0.15 0.74 -0.71 1.25 1.82 -1.11 -2.80 116.42 115.47 1nri h ASP 86 Ca -0.01 -0.10 -0.00 0.00 -0.39 0.00 0.00 57.03 56.52 1nri h ASP 86 Cb 0.11 -0.19 -0.03 0.00 0.68 0.00 0.00 39.33 39.90 1nri h ASP 86 CO 0.02 0.63 0.43 0.00 -1.61 0.00 0.00 179.24 178.71 1nri h ALA 87 N 1.14 0.90 0.00 -0.78 0.00 -1.20 -2.74 119.26 116.59 1nri h ALA 87 Ca 0.21 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1nri h ALA 87 Cb 0.06 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 1nri h ALA 87 CO -0.03 0.37 -0.03 0.66 0.00 0.00 0.00 179.25 180.22 1nri h SER 88 N 0.97 0.00 0.60 0.00 4.64 -0.86 -2.63 113.55 116.25 1nri h SER 88 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 1nri h SER 88 Cb -0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 1nri h SER 88 CO -0.05 0.03 -0.48 -0.62 -0.87 0.00 0.00 176.83 174.84 1nri n GLU 89 N -3.50 0.05 -0.05 4.77 1.02 -1.03 -4.36 120.64 117.53 1nri n GLU 89 Ca -0.02 0.01 -0.13 0.00 -0.02 0.00 0.00 57.16 57.00 1nri n GLU 89 Cb 0.13 -1.53 -0.08 0.00 -0.02 0.00 0.00 31.44 29.94 1nri n GLU 89 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1nri h PRO 91 N -0.12 0.08 0.00 0.00 0.11 -1.76 0.20 132.00 130.51 1nri h PRO 91 Ca 0.02 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.08 1nri h PRO 91 Cb 0.66 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.75 1nri h PRO 91 CO 0.03 0.05 -0.19 -1.00 -0.21 0.00 0.00 178.00 176.69 1nri h PRO 92 N 0.08 0.00 0.13 1.05 0.13 -1.80 0.19 132.00 131.78 1nri h PRO 92 Ca 0.03 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.79 1nri h PRO 92 Cb -0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 1nri h PRO 92 CO -0.02 0.19 -2.00 2.41 -0.23 0.00 0.00 178.00 178.35 1nri n THR 93 N -3.64 1.79 0.00 1.56 -1.04 -1.01 -0.88 114.28 111.05 1nri n THR 93 Ca -0.01 -0.66 0.03 0.00 -2.04 0.00 0.00 64.05 61.37 1nri n THR 93 Cb 0.32 -1.74 0.07 0.00 -1.82 0.00 0.00 70.33 67.16 1nri n THR 93 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1nri n PHE 94 N -3.49 0.19 -1.48 -1.42 3.01 0.68 -3.71 117.46 111.24 1nri n PHE 94 Ca -0.32 -0.36 -0.16 0.00 1.01 0.00 0.00 57.45 57.62 1nri n PHE 94 Cb 1.05 -0.03 -0.07 0.00 -0.01 0.00 0.00 39.48 40.42 1nri n PHE 94 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1nri n GLY 95 N 0.16 1.60 3.91 1.37 0.00 0.66 -4.81 105.19 108.08 1nri n GLY 95 Ca 0.06 -0.08 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 1nri n GLY 95 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1nri s VAL 96 N -2.48 4.04 0.68 1.61 -7.23 -1.24 -5.00 120.40 110.79 1nri s VAL 96 Ca 0.00 0.12 -0.16 0.00 -1.81 0.00 0.00 61.98 60.13 1nri s VAL 96 Cb 0.00 -3.59 0.01 0.00 0.56 0.00 0.00 36.38 33.36 1nri s VAL 96 CO 0.00 -0.61 1.21 -0.55 -0.31 0.00 0.00 175.10 174.84 1nri s SER 97 N -4.25 4.56 0.27 4.85 0.15 -1.26 -4.26 113.70 113.77 1nri s SER 97 Ca 0.52 2.38 0.23 0.00 0.70 0.00 0.00 55.95 59.78 1nri s SER 97 Cb -0.11 -2.59 1.03 0.00 -1.71 0.00 0.00 66.02 62.64 1nri s SER 97 CO 0.46 -2.02 1.69 0.35 1.20 0.00 0.00 173.24 174.92 1nri n THR 98 N -2.30 0.90 -1.16 6.45 -2.24 -1.26 -4.42 114.28 110.25 1nri n THR 98 Ca 0.14 0.38 -0.17 0.00 -2.27 0.00 0.00 64.05 62.13 1nri n THR 98 Cb 0.50 -1.34 -0.13 0.00 -2.10 0.00 0.00 70.33 67.26 1nri n THR 98 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1nri n GLU 99 N -2.24 2.17 -1.51 -0.78 -0.58 -1.26 -4.56 120.64 111.88 1nri n GLU 99 Ca 0.01 -1.43 -0.64 0.00 -0.42 0.00 0.00 57.16 54.68 1nri n GLU 99 Cb 0.17 -2.06 -0.11 0.00 -0.57 0.00 0.00 31.44 28.87 1nri n GLU 99 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1nri n VAL 101 N 2.04 0.00 -5.19 2.62 0.31 -1.26 -4.73 118.33 112.12 1nri n VAL 101 Ca 0.46 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.47 1nri n VAL 101 Cb 0.80 -0.50 -0.17 0.00 -0.91 0.00 0.00 33.84 33.06 1nri n VAL 101 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1nri s LYS 102 N 4.39 2.73 -0.25 5.55 1.02 -0.51 -4.79 119.74 127.88 1nri s LYS 102 Ca 1.12 -0.86 -0.08 0.00 0.02 0.00 0.00 55.97 56.17 1nri s LYS 102 Cb -1.50 -2.17 -0.03 0.00 -0.52 0.00 0.00 37.83 33.61 1nri s LYS 102 CO 0.74 0.26 0.08 0.20 -0.92 0.00 0.00 175.35 175.71 1nri s GLY 103 N 0.13 1.79 -0.13 -3.33 0.00 -1.26 -0.69 107.32 103.83 1nri s GLY 103 Ca -0.12 -1.10 -0.02 0.00 0.00 0.00 0.00 44.72 43.48 1nri s GLY 103 CO 0.06 0.52 -0.05 -0.42 0.00 0.00 0.00 173.10 173.21 1nri s ILE 104 N 1.55 3.80 -0.07 0.90 1.01 0.16 -4.72 121.20 123.82 1nri s ILE 104 Ca 0.06 -0.41 0.05 0.00 0.00 0.00 0.00 60.65 60.35 1nri s ILE 104 Cb -0.15 -2.63 -0.01 0.00 0.01 0.00 0.00 42.46 39.68 1nri s ILE 104 CO 0.04 0.52 -0.22 -0.51 0.00 0.00 0.00 174.94 174.78 1nri s ILE 105 N 0.05 2.31 0.17 2.92 2.07 -1.26 -2.48 121.20 124.98 1nri s ILE 105 Ca -0.01 -0.97 -0.32 0.00 -1.41 0.00 0.00 60.65 57.95 1nri s ILE 105 Cb -0.14 -1.87 -0.12 0.00 0.13 0.00 0.00 42.46 40.47 1nri s ILE 105 CO 0.03 0.56 1.75 0.00 -1.91 0.00 0.00 174.94 175.38 1nri n ALA 106 N 3.04 2.39 0.00 1.50 0.00 -0.33 -2.12 120.51 124.98 1nri n ALA 106 Ca -0.18 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1nri n ALA 106 Cb 0.52 -2.53 0.00 0.00 0.00 0.00 0.00 19.45 17.44 1nri n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nri n GLY 107 N 4.01 0.74 2.73 0.00 0.00 -1.26 -4.70 105.19 106.71 1nri n GLY 107 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1nri n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nri n GLY 108 N -1.73 -2.39 0.41 -0.02 0.00 -0.90 -4.36 105.19 96.21 1nri n GLY 108 Ca 0.00 -1.68 0.21 0.00 0.00 0.00 0.00 46.02 44.56 1nri n GLY 108 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1nri h GLU 109 N 0.00 0.24 -0.31 1.61 4.39 -1.94 -0.36 114.58 118.21 1nri h GLU 109 Ca 0.00 -0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.72 1nri h GLU 109 Cb 0.00 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.58 1nri h GLU 109 CO 0.00 0.16 0.21 0.00 -1.16 0.00 0.00 179.01 178.22 1nri h ALA 111 N 1.83 1.00 -0.62 0.00 0.00 -1.13 -2.70 119.26 117.64 1nri h ALA 111 Ca 0.13 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 1nri h ALA 111 Cb 0.19 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1nri h ALA 111 CO -0.03 0.00 0.09 0.82 0.00 0.00 0.00 179.25 180.13 1nri h ILE 112 N 0.00 1.26 0.11 0.00 2.04 -1.48 -3.30 117.51 116.15 1nri h ILE 112 Ca 0.00 -1.03 -0.36 0.00 1.00 0.00 0.00 64.86 64.47 1nri h ILE 112 Cb 0.25 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 1nri h ILE 112 CO 0.00 0.38 -1.99 0.54 0.00 0.00 0.00 178.15 177.08 1nri n ARG 113 N -4.27 0.75 -3.93 2.37 5.12 -1.15 -5.02 116.66 110.54 1nri n ARG 113 Ca 0.03 0.26 -0.09 0.00 -1.93 0.00 0.00 57.85 56.13 1nri n ARG 113 Cb 0.29 -1.71 -0.08 0.00 -1.16 0.00 0.00 32.46 29.80 1nri n ARG 113 CO 0.00 0.00 0.00 -3.38 -1.93 0.00 0.00 177.63 172.32 1nri s HIS 114 N -2.56 0.29 0.47 -1.55 -3.43 -1.03 -5.15 115.29 102.32 1nri s HIS 114 Ca -0.21 -0.73 -0.24 0.00 -0.80 0.00 0.00 55.06 53.08 1nri s HIS 114 Cb 0.07 -0.15 -0.07 0.00 -1.43 0.00 0.00 32.58 31.00 1nri s HIS 114 CO 0.77 -0.53 1.35 -2.14 -2.00 0.00 0.00 174.74 172.19 1nri s PRO 115 N -3.89 3.60 -0.25 -0.38 0.02 -1.26 -3.70 135.00 129.13 1nri s PRO 115 Ca 0.08 2.23 -0.01 0.00 0.02 0.00 0.00 61.00 63.31 1nri s PRO 115 Cb 0.05 -2.53 0.03 0.00 0.02 0.00 0.00 34.50 32.07 1nri s PRO 115 CO -0.09 -0.82 -0.06 0.08 -0.33 0.00 0.00 177.00 175.78 1nri s VAL 116 N -1.29 2.78 -0.36 3.83 1.01 -1.26 -4.94 120.40 120.17 1nri s VAL 116 Ca 0.63 -1.14 -0.43 0.00 0.00 0.00 0.00 61.98 61.04 1nri s VAL 116 Cb -0.40 -2.45 -0.19 0.00 0.00 0.00 0.00 36.38 33.34 1nri s VAL 116 CO 0.49 0.14 1.41 1.21 0.00 0.00 0.00 175.10 178.36 1nri n GLU 117 N 4.63 0.00 -1.23 2.72 0.00 -1.26 -0.82 120.64 124.68 1nri n GLU 117 Ca -0.16 0.00 -0.08 0.00 0.00 0.00 0.00 57.16 56.92 1nri n GLU 117 Cb 0.46 -1.44 -0.03 0.00 0.00 0.00 0.00 31.44 30.43 1nri n GLU 117 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1nri n GLY 118 N 3.25 0.78 0.30 8.31 0.00 -1.26 -4.88 105.19 111.69 1nri n GLY 118 Ca 0.27 -0.02 -0.02 0.00 0.00 0.00 0.00 46.02 46.25 1nri n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nri h ALA 119 N 0.00 1.03 0.00 4.61 0.00 -1.35 -1.91 119.26 121.65 1nri h ALA 119 Ca -0.16 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1nri h ALA 119 Cb 1.10 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1nri h ALA 119 CO 0.24 0.30 0.00 -0.85 0.00 0.00 0.00 179.25 178.95 1nri n GLU 120 N -4.61 0.75 0.00 0.00 0.28 -1.26 -2.78 120.64 113.03 1nri n GLU 120 Ca 0.09 0.01 0.08 0.00 -0.16 0.00 0.00 57.16 57.18 1nri n GLU 120 Cb 0.09 -1.50 -0.02 0.00 1.43 0.00 0.00 31.44 31.44 1nri n GLU 120 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1nri n ASP 121 N -1.06 1.40 -4.55 -1.84 8.00 -0.73 -0.86 116.55 116.91 1nri n ASP 121 Ca 0.19 -1.20 -0.41 0.00 0.71 0.00 0.00 54.79 54.08 1nri n ASP 121 Cb 0.11 0.59 -0.03 0.00 -0.02 0.00 0.00 41.12 41.77 1nri n ASP 121 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1nri s ASN 122 N -1.99 6.14 0.14 -2.24 3.84 -1.12 -4.69 114.94 115.03 1nri s ASN 122 Ca 0.11 -0.49 0.27 0.00 0.21 0.00 0.00 52.86 52.96 1nri s ASN 122 Cb 0.12 -2.56 0.94 0.00 -0.55 0.00 0.00 41.25 39.21 1nri s ASN 122 CO 0.45 -1.84 1.81 0.35 -2.79 0.00 0.00 177.10 175.08 1nri n THR 123 N 6.46 0.44 -0.04 -5.21 -2.24 -1.26 -3.42 114.28 109.01 1nri n THR 123 Ca 0.06 -0.16 -0.09 0.00 -2.27 0.00 0.00 64.05 61.59 1nri n THR 123 Cb 0.49 -0.60 -0.15 0.00 -2.10 0.00 0.00 70.33 67.98 1nri n THR 123 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1nri n LYS 124 N -2.02 0.65 -0.14 -0.78 5.02 -1.26 -4.26 118.16 115.37 1nri n LYS 124 Ca 0.06 0.22 -0.02 0.00 -2.02 0.00 0.00 58.31 56.55 1nri n LYS 124 Cb 0.39 -1.72 0.20 0.00 -0.02 0.00 0.00 35.03 33.88 1nri n LYS 124 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1nri h ALA 125 N 0.98 1.26 -0.44 7.82 0.00 -1.96 -2.76 119.26 124.16 1nri h ALA 125 Ca -0.36 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.33 1nri h ALA 125 Cb 2.07 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.61 1nri h ALA 125 CO 0.07 0.53 0.09 -0.24 0.00 0.00 0.00 179.25 179.69 1nri h VAL 126 N 0.83 1.20 -0.67 0.00 3.04 -1.74 0.63 116.25 119.54 1nri h VAL 126 Ca 0.19 -0.74 -0.08 0.00 -1.01 0.00 0.00 66.70 65.06 1nri h VAL 126 Cb 0.23 0.77 -0.03 0.00 -2.01 0.00 0.00 31.29 30.26 1nri h VAL 126 CO -0.01 0.27 0.12 -0.07 -1.01 0.00 0.00 177.57 176.87 1nri h LEU 127 N 0.65 1.05 -0.43 3.16 4.07 -1.69 -0.78 115.31 121.34 1nri h LEU 127 Ca 0.14 -0.25 -0.07 0.00 0.08 0.00 0.00 57.88 57.78 1nri h LEU 127 Cb 0.28 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 41.72 1nri h LEU 127 CO 0.00 1.04 -0.01 0.78 -1.08 0.00 0.00 178.44 179.17 1nri h ASN 128 N 1.02 0.75 -0.90 -0.43 2.35 -1.25 -0.66 115.58 116.47 1nri h ASN 128 Ca 0.21 -0.31 -0.01 0.00 -0.55 0.00 0.00 56.30 55.63 1nri h ASN 128 Cb 0.42 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.55 1nri h ASN 128 CO 0.01 0.88 0.51 0.44 -1.65 0.00 0.00 177.43 177.62 1nri h ASP 129 N 0.60 1.11 0.30 5.81 3.32 -0.59 -0.80 116.42 126.17 1nri h ASP 129 Ca 0.12 -0.09 -0.22 0.00 0.02 0.00 0.00 57.03 56.86 1nri h ASP 129 Cb 0.50 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.77 1nri h ASP 129 CO 0.02 0.88 -0.90 -0.07 -1.72 0.00 0.00 179.24 177.45 1nri h LEU 130 N 1.25 0.55 -1.01 1.55 3.38 -1.00 -3.20 115.31 116.82 1nri h LEU 130 Ca 0.32 -0.42 -0.10 0.00 0.09 0.00 0.00 57.88 57.77 1nri h LEU 130 Cb -0.00 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1nri h LEU 130 CO -0.05 1.21 -0.47 1.56 0.09 0.00 0.00 178.44 180.78 1nri h GLN 131 N 0.25 0.06 -0.31 1.13 4.20 -0.89 0.35 115.11 119.91 1nri h GLN 131 Ca -0.07 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.57 1nri h GLN 131 Cb 1.52 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.29 1nri h GLN 131 CO 0.16 0.52 0.03 0.66 -0.67 0.00 0.00 178.83 179.52 1nri h SER 132 N 0.05 0.42 -0.62 1.46 4.64 -1.14 -0.80 113.55 117.56 1nri h SER 132 Ca 0.00 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1nri h SER 132 Cb 0.84 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 1nri h SER 132 CO 0.06 0.47 0.00 2.30 -0.87 0.00 0.00 176.83 178.79 1nri n ILE 133 N -4.32 1.60 -3.89 0.95 -5.35 -1.10 -4.94 119.36 102.31 1nri n ILE 133 Ca 0.01 -1.08 -0.26 0.00 -0.27 0.00 0.00 62.75 61.16 1nri n ILE 133 Cb 0.21 0.14 -0.01 0.00 -1.74 0.00 0.00 39.64 38.24 1nri n ILE 133 CO 0.00 0.00 0.00 1.57 -1.76 0.00 0.00 176.55 176.36 1nri n HIS 134 N 1.13 -1.70 -1.69 4.28 -0.00 -0.31 -4.88 115.22 112.05 1nri n HIS 134 Ca 0.24 0.71 -0.44 0.00 -0.00 0.00 0.00 57.72 58.24 1nri n HIS 134 Cb 0.81 -3.76 -0.02 0.00 -0.00 0.00 0.00 29.99 27.02 1nri n HIS 134 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 1nri n PHE 135 N -4.37 2.26 -4.27 1.57 7.35 0.08 -4.99 117.46 115.10 1nri n PHE 135 Ca -0.28 0.46 -0.16 0.00 -0.76 0.00 0.00 57.45 56.72 1nri n PHE 135 Cb 0.67 -2.45 -0.10 0.00 0.35 0.00 0.00 39.48 37.95 1nri n PHE 135 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 1nri s SER 136 N 0.08 0.92 0.16 -2.13 1.04 -1.26 -4.90 113.70 107.60 1nri s SER 136 Ca 0.63 -1.48 0.14 0.00 0.48 0.00 0.00 55.95 55.72 1nri s SER 136 Cb -0.60 0.36 0.68 0.00 0.10 0.00 0.00 66.02 66.56 1nri s SER 136 CO 0.54 -0.86 1.42 2.29 0.98 0.00 0.00 173.24 177.62 1nri n LYS 137 N -0.44 0.08 0.12 4.02 2.85 -1.26 -1.18 118.16 122.35 1nri n LYS 137 Ca 0.02 0.51 0.12 0.00 -1.05 0.00 0.00 58.31 57.91 1nri n LYS 137 Cb 0.65 -1.73 0.19 0.00 -0.65 0.00 0.00 35.03 33.49 1nri n LYS 137 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 177.40 176.44 1nri h ASN 138 N 0.00 0.00 -3.17 -5.58 4.21 -1.95 -3.36 115.58 105.73 1nri h ASN 138 Ca 0.00 -0.06 -0.45 0.00 1.21 0.00 0.00 56.30 57.00 1nri h ASN 138 Cb 0.09 0.00 0.06 0.00 -1.12 0.00 0.00 38.32 37.35 1nri h ASN 138 CO 0.00 0.03 0.10 -1.81 -1.29 0.00 0.00 177.43 174.46 1nri s ASP 139 N -5.05 5.12 -0.09 5.81 1.01 -0.33 -4.15 116.67 118.99 1nri s ASP 139 Ca 0.06 0.27 0.03 0.00 0.71 0.00 0.00 52.55 53.62 1nri s ASP 139 Cb 0.10 -1.07 -0.01 0.00 1.01 0.00 0.00 42.92 42.95 1nri s ASP 139 CO 0.70 -1.32 -0.20 -0.69 0.21 0.00 0.00 175.17 173.87 1nri s VAL 140 N -2.99 2.48 -0.18 -1.27 1.01 -0.42 -3.79 120.40 115.24 1nri s VAL 140 Ca 0.58 -0.89 -0.02 0.00 0.00 0.00 0.00 61.98 61.65 1nri s VAL 140 Cb -0.11 -1.97 -0.01 0.00 0.00 0.00 0.00 36.38 34.30 1nri s VAL 140 CO 0.42 0.56 -0.10 -0.22 0.00 0.00 0.00 175.10 175.75 1nri s LEU 141 N 0.07 2.73 -0.30 3.92 2.96 -0.72 -0.47 118.68 126.86 1nri s LEU 141 Ca -0.09 -0.39 -0.07 0.00 -0.22 0.00 0.00 54.13 53.36 1nri s LEU 141 Cb -0.15 -1.65 0.01 0.00 0.50 0.00 0.00 46.19 44.89 1nri s LEU 141 CO 0.05 0.06 0.09 -0.69 -1.32 0.00 0.00 176.35 174.54 1nri s VAL 142 N 0.97 4.01 -0.23 1.68 1.01 0.34 -0.47 120.40 127.71 1nri s VAL 142 Ca -0.01 -0.70 -0.17 0.00 0.00 0.00 0.00 61.98 61.09 1nri s VAL 142 Cb -0.15 -3.08 -0.03 0.00 0.00 0.00 0.00 36.38 33.12 1nri s VAL 142 CO -0.01 0.06 0.47 -0.83 0.00 0.00 0.00 175.10 174.79 1nri s GLY 143 N 1.50 1.98 -0.23 4.51 0.00 0.16 -1.74 107.32 113.51 1nri s GLY 143 Ca 0.02 -0.54 -0.03 0.00 0.00 0.00 0.00 44.72 44.17 1nri s GLY 143 CO 0.03 1.05 -0.05 -0.42 0.00 0.00 0.00 173.10 173.70 1nri s ILE 144 N 1.81 3.15 -0.30 0.90 1.01 -0.34 -0.92 121.20 126.52 1nri s ILE 144 Ca 0.21 -0.69 -0.08 0.00 0.00 0.00 0.00 60.65 60.09 1nri s ILE 144 Cb -0.15 -2.48 0.16 0.00 0.01 0.00 0.00 42.46 40.00 1nri s ILE 144 CO 0.09 0.35 0.75 0.00 0.00 0.00 0.00 174.94 176.13 1nri s ALA 145 N 1.42 -2.40 0.28 9.38 0.00 -0.59 -4.34 121.76 125.50 1nri s ALA 145 Ca 0.04 2.03 -0.00 0.00 0.00 0.00 0.00 51.96 54.03 1nri s ALA 145 Cb -0.15 -2.04 0.50 0.00 0.00 0.00 0.00 23.12 21.43 1nri s ALA 145 CO -0.04 -1.12 1.85 0.00 0.00 0.00 0.00 175.76 176.45 1nri h ALA 146 N 7.90 1.46 0.00 0.00 0.00 -1.93 -1.25 119.26 125.44 1nri h ALA 146 Ca -0.19 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 1nri h ALA 146 Cb 1.13 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1nri h ALA 146 CO 0.13 0.29 -0.38 0.66 0.00 0.00 0.00 179.25 179.95 1nri h SER 147 N 1.05 0.00 0.00 0.00 4.64 -1.95 0.24 113.55 117.52 1nri h SER 147 Ca 0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 1nri h SER 147 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1nri h SER 147 CO -0.24 0.38 0.00 0.61 -0.87 0.00 0.00 176.83 176.72 1nri n GLY 148 N -0.25 0.54 0.21 -0.77 0.00 -0.47 -4.59 105.19 99.86 1nri n GLY 148 Ca -0.01 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.02 1nri n GLY 148 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1nri n ARG 149 N -2.14 0.63 -1.77 1.61 -4.01 -1.26 -3.33 116.66 106.39 1nri n ARG 149 Ca 0.00 -1.21 -0.43 0.00 -1.04 0.00 0.00 57.85 55.18 1nri n ARG 149 Cb 0.07 -0.75 -0.03 0.00 -3.04 0.00 0.00 32.46 28.71 1nri n ARG 149 CO 0.00 0.00 0.00 0.99 -3.04 0.00 0.00 177.63 175.58 1nri s THR 150 N -0.65 3.20 0.25 8.89 2.01 -1.26 -4.87 115.64 123.20 1nri s THR 150 Ca 0.06 0.22 -0.05 0.00 0.31 0.00 0.00 61.69 62.23 1nri s THR 150 Cb 0.05 -3.21 0.25 0.00 0.01 0.00 0.00 72.50 69.61 1nri s THR 150 CO 0.01 -0.09 1.67 -0.65 -0.69 0.00 0.00 174.62 174.86 1nri h PRO 151 N 12.46 0.21 -0.93 4.92 0.11 -1.90 -0.25 132.00 146.62 1nri h PRO 151 Ca -0.42 -0.01 0.07 0.00 0.11 0.00 0.00 66.00 65.75 1nri h PRO 151 Cb 1.21 -0.05 -0.07 0.00 0.11 0.00 0.00 31.00 32.21 1nri h PRO 151 CO 0.97 0.14 0.59 -0.92 -0.21 0.00 0.00 178.00 178.56 1nri h TYR 152 N 0.22 1.08 0.02 0.65 5.03 -1.23 -1.36 116.97 121.38 1nri h TYR 152 Ca 0.43 0.03 -0.27 0.00 2.58 0.00 0.00 58.73 61.50 1nri h TYR 152 Cb 0.76 -0.35 0.02 0.00 1.55 0.00 0.00 36.73 38.72 1nri h TYR 152 CO -0.30 0.53 -1.05 0.28 -1.32 0.00 0.00 178.16 176.30 1nri h VAL 153 N 1.04 1.29 -0.31 1.81 2.07 -1.38 -2.61 116.25 118.15 1nri h VAL 153 Ca 0.41 -2.27 0.04 0.00 0.82 0.00 0.00 66.70 65.71 1nri h VAL 153 Cb 0.22 2.45 -0.04 0.00 -1.52 0.00 0.00 31.29 32.40 1nri h VAL 153 CO -0.19 0.70 0.06 0.40 0.02 0.00 0.00 177.57 178.56 1nri h ILE 154 N 0.35 0.85 -0.42 4.57 2.04 -0.83 -0.25 117.51 123.81 1nri h ILE 154 Ca -0.14 -0.06 -0.05 0.00 1.00 0.00 0.00 64.86 65.61 1nri h ILE 154 Cb 1.71 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 38.44 1nri h ILE 154 CO 0.21 0.03 0.05 0.00 0.00 0.00 0.00 178.15 178.44 1nri h ALA 155 N 1.23 1.30 -0.32 1.87 0.00 -1.31 -0.43 119.26 121.59 1nri h ALA 155 Ca 0.14 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1nri h ALA 155 Cb 0.16 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1nri h ALA 155 CO -0.19 0.48 -0.00 0.78 0.00 0.00 0.00 179.25 180.32 1nri h GLY 156 N 0.89 0.61 1.14 0.00 0.00 -0.97 -1.57 103.07 103.16 1nri h GLY 156 Ca 0.14 -0.45 -0.09 0.00 0.00 0.00 0.00 47.33 46.92 1nri h GLY 156 CO 0.01 0.42 0.02 1.41 0.00 0.00 0.00 176.54 178.39 1nri h LEU 157 N 0.37 1.01 -0.20 3.11 3.38 -0.73 -1.71 115.31 120.53 1nri h LEU 157 Ca 0.09 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 1nri h LEU 157 Cb 0.45 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1nri h LEU 157 CO 0.02 1.05 0.11 1.56 0.09 0.00 0.00 178.44 181.26 1nri h GLN 158 N 0.95 0.29 0.03 1.13 4.20 -0.96 0.12 115.11 120.87 1nri h GLN 158 Ca 0.17 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.85 1nri h GLN 158 Cb 0.52 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.24 1nri h GLN 158 CO 0.03 0.28 -0.06 -0.92 -0.67 0.00 0.00 178.83 177.49 1nri h TYR 159 N 0.22 -0.14 -0.66 2.96 3.20 -1.17 -0.40 116.97 120.97 1nri h TYR 159 Ca 0.07 0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.97 1nri h TYR 159 Cb 0.08 0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.37 1nri h TYR 159 CO -0.03 -0.09 0.42 0.00 -1.64 0.00 0.00 178.16 176.81 1nri h ALA 160 N 0.84 0.86 -0.18 1.82 0.00 -1.18 -0.51 119.26 120.91 1nri h ALA 160 Ca 0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1nri h ALA 160 Cb 0.13 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1nri h ALA 160 CO -0.04 0.18 0.08 -0.22 0.00 0.00 0.00 179.25 179.26 1nri h LYS 161 N 0.82 0.27 -0.93 0.00 3.64 -0.69 -0.89 116.57 118.78 1nri h LYS 161 Ca 0.26 -0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.64 1nri h LYS 161 Cb 0.01 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 31.72 1nri h LYS 161 CO -0.10 0.32 0.61 0.77 -2.27 0.00 0.00 179.45 178.78 1nri h SER 162 N 0.15 1.01 0.27 4.20 0.02 -0.74 -0.70 113.55 117.76 1nri h SER 162 Ca 0.06 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.98 1nri h SER 162 Cb 0.15 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.45 1nri h SER 162 CO -0.01 0.69 -0.13 -0.07 -1.14 0.00 0.00 176.83 176.17 1nri h LEU 163 N 1.17 0.00 0.00 5.07 3.38 -0.76 -3.46 115.31 120.71 1nri h LEU 163 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.34 1nri h LEU 163 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1nri h LEU 163 CO -0.12 0.13 0.00 0.61 0.09 0.00 0.00 178.44 179.15 1nri n GLY 164 N -0.86 1.09 3.82 0.83 0.00 -0.27 -4.54 105.19 105.27 1nri n GLY 164 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 1nri n GLY 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nri s ALA 165 N -2.00 3.22 0.20 4.61 0.00 -0.39 -4.81 121.76 122.59 1nri s ALA 165 Ca 0.00 0.26 -0.30 0.00 0.00 0.00 0.00 51.96 51.91 1nri s ALA 165 Cb 0.00 -2.97 -0.09 0.00 0.00 0.00 0.00 23.12 20.06 1nri s ALA 165 CO 0.00 0.24 1.32 -1.17 0.00 0.00 0.00 175.76 176.14 1nri s LEU 166 N -2.79 4.41 0.07 0.00 2.96 -1.25 -4.21 118.68 117.88 1nri s LEU 166 Ca 0.55 2.41 0.09 0.00 -0.22 0.00 0.00 54.13 56.96 1nri s LEU 166 Cb -0.12 -3.61 -0.03 0.00 0.50 0.00 0.00 46.19 42.93 1nri s LEU 166 CO 0.17 -0.54 -0.25 0.42 -1.32 0.00 0.00 176.35 174.83 1nri s THR 167 N 0.12 2.05 -0.02 3.68 -4.23 -1.26 -1.76 115.64 114.21 1nri s THR 167 Ca 0.57 -1.45 0.02 0.00 -1.18 0.00 0.00 61.69 59.65 1nri s THR 167 Cb -0.37 -1.77 0.01 0.00 1.34 0.00 0.00 72.50 71.70 1nri s THR 167 CO 0.38 0.24 -0.05 -0.63 -0.54 0.00 0.00 174.62 174.02 1nri s ILE 168 N -0.88 0.51 -0.04 2.99 1.01 0.38 -1.63 121.20 123.53 1nri s ILE 168 Ca 0.11 -0.21 0.05 0.00 0.00 0.00 0.00 60.65 60.61 1nri s ILE 168 Cb -0.10 -0.47 -0.02 0.00 0.01 0.00 0.00 42.46 41.87 1nri s ILE 168 CO 0.03 0.18 -0.19 -0.94 0.00 0.00 0.00 174.94 174.01 1nri s SER 169 N 0.29 3.62 -0.20 3.58 1.04 -0.41 0.39 113.70 122.01 1nri s SER 169 Ca -0.03 -0.31 0.01 0.00 0.48 0.00 0.00 55.95 56.09 1nri s SER 169 Cb -0.08 -0.64 0.04 0.00 0.10 0.00 0.00 66.02 65.45 1nri s SER 169 CO -0.00 0.33 -0.09 -0.63 0.98 0.00 0.00 173.24 173.84 1nri s ILE 170 N -0.68 1.52 0.15 -1.02 1.01 -0.10 -0.39 121.20 121.70 1nri s ILE 170 Ca 0.11 -0.97 -0.08 0.00 0.00 0.00 0.00 60.65 59.71 1nri s ILE 170 Cb -0.10 -1.65 -0.01 0.00 0.01 0.00 0.00 42.46 40.71 1nri s ILE 170 CO -0.00 0.12 0.25 0.00 0.00 0.00 0.00 174.94 175.31 1nri s ALA 171 N 1.44 0.02 -2.18 9.38 0.00 -0.96 -1.55 121.76 127.91 1nri s ALA 171 Ca -0.02 -0.87 0.18 0.00 0.00 0.00 0.00 51.96 51.25 1nri s ALA 171 Cb -0.16 0.78 0.14 0.00 0.00 0.00 0.00 23.12 23.88 1nri s ALA 171 CO -0.08 -0.61 1.05 0.43 0.00 0.00 0.00 175.76 176.56 1nri n SER 172 N -0.17 2.45 -4.42 0.00 7.64 0.82 -1.32 113.62 118.61 1nri n SER 172 Ca -0.09 -1.72 -0.33 0.00 1.01 0.00 0.00 58.87 57.74 1nri n SER 172 Cb 0.63 0.01 -0.14 0.00 -1.01 0.00 0.00 64.21 63.70 1nri n SER 172 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1nri s ASN 173 N -1.47 4.03 0.53 6.43 0.01 -1.21 -4.39 114.94 118.87 1nri s ASN 173 Ca 0.20 -0.26 -0.20 0.00 -0.71 0.00 0.00 52.86 51.89 1nri s ASN 173 Cb 0.15 -1.28 -0.06 0.00 0.41 0.00 0.00 41.25 40.47 1nri s ASN 173 CO 0.22 0.25 1.14 -2.16 -1.51 0.00 0.00 177.10 175.04 1nri s PRO 174 N -0.14 3.42 -1.32 -0.60 0.04 -1.26 -3.85 135.00 131.29 1nri s PRO 174 Ca -0.01 1.65 -0.08 0.00 0.04 0.00 0.00 61.00 62.61 1nri s PRO 174 Cb -0.14 -2.08 -0.00 0.00 0.04 0.00 0.00 34.50 32.33 1nri s PRO 174 CO 0.03 -0.81 0.54 1.63 0.04 0.00 0.00 177.00 178.43 1nri n LYS 175 N -1.16 -2.60 -2.22 4.56 5.02 -1.26 -4.97 118.16 115.53 1nri n LYS 175 Ca 0.11 0.40 -0.28 0.00 -2.02 0.00 0.00 58.31 56.53 1nri n LYS 175 Cb 0.50 -4.32 0.04 0.00 -0.02 0.00 0.00 35.03 31.23 1nri n LYS 175 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1nri s SER 176 N -4.09 5.45 0.00 4.39 1.04 -1.25 -4.92 113.70 114.33 1nri s SER 176 Ca 0.16 0.81 0.00 0.00 0.48 0.00 0.00 55.95 57.39 1nri s SER 176 Cb -0.06 -1.70 0.00 0.00 0.10 0.00 0.00 66.02 64.36 1nri s SER 176 CO 0.88 -1.21 0.32 1.21 0.98 0.00 0.00 173.24 175.42 1nri n GLU 177 N -2.75 0.24 0.00 4.02 2.13 -1.21 -1.35 120.64 121.72 1nri n GLU 177 Ca 0.06 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.88 1nri n GLU 177 Cb 0.58 -1.38 0.00 0.00 0.27 0.00 0.00 31.44 30.91 1nri n GLU 177 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1nri n ALA 179 N 1.19 0.00 0.19 4.31 0.00 -1.26 -2.16 120.51 122.77 1nri n ALA 179 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 1nri n ALA 179 Cb 0.12 0.00 0.31 0.00 0.00 0.00 0.00 19.45 19.89 1nri n ALA 179 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1nri h GLU 180 N 0.00 0.00 0.07 0.00 4.81 -1.57 -3.30 114.58 114.59 1nri h GLU 180 Ca 0.00 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 58.93 1nri h GLU 180 Cb 0.00 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 1nri h GLU 180 CO 0.00 0.36 -1.64 0.82 -0.73 0.00 0.00 179.01 177.83 1nri h ILE 181 N 0.00 0.77 -4.13 2.32 2.04 -1.71 -3.48 117.51 113.32 1nri h ILE 181 Ca -0.00 -2.26 -0.55 0.00 1.00 0.00 0.00 64.86 63.04 1nri h ILE 181 Cb 0.94 2.37 0.16 0.00 -0.74 0.00 0.00 36.82 39.55 1nri h ILE 181 CO 0.05 0.61 0.48 0.00 0.00 0.00 0.00 178.15 179.28 1nri s ALA 182 N -2.46 2.28 0.06 1.87 0.00 -1.24 -4.95 121.76 117.31 1nri s ALA 182 Ca -0.25 1.12 -0.17 0.00 0.00 0.00 0.00 51.96 52.65 1nri s ALA 182 Cb 0.06 -3.53 -0.15 0.00 0.00 0.00 0.00 23.12 19.50 1nri s ALA 182 CO 0.68 -1.71 1.29 -0.44 0.00 0.00 0.00 175.76 175.59 1nri h ASP 183 N 0.27 0.62 -3.13 0.00 3.32 -1.62 -3.43 116.42 112.46 1nri h ASP 183 Ca -0.50 -0.58 -0.67 0.00 0.02 0.00 0.00 57.03 55.30 1nri h ASP 183 Cb 1.33 -0.18 -0.35 0.00 0.22 0.00 0.00 39.33 40.35 1nri h ASP 183 CO 0.52 1.09 -0.86 -0.63 -1.72 0.00 0.00 179.24 177.64 1nri s ILE 184 N -3.93 2.06 -0.28 0.35 1.01 -0.81 -5.04 121.20 114.57 1nri s ILE 184 Ca -0.13 -0.96 -0.07 0.00 0.00 0.00 0.00 60.65 59.50 1nri s ILE 184 Cb 0.06 -1.84 0.00 0.00 0.01 0.00 0.00 42.46 40.69 1nri s ILE 184 CO 0.82 0.54 0.07 0.00 0.00 0.00 0.00 174.94 176.37 1nri s ALA 185 N 1.07 3.05 -0.35 9.38 0.00 -1.26 -1.29 121.76 132.36 1nri s ALA 185 Ca -0.01 -1.40 -0.14 0.00 0.00 0.00 0.00 51.96 50.41 1nri s ALA 185 Cb -0.14 -2.11 -0.01 0.00 0.00 0.00 0.00 23.12 20.86 1nri s ALA 185 CO -0.08 -0.85 0.29 0.42 0.00 0.00 0.00 175.76 175.54 1nri s ILE 186 N 1.51 5.24 -0.36 0.00 1.01 0.48 -4.95 121.20 124.13 1nri s ILE 186 Ca 0.03 -0.21 -0.00 0.00 0.00 0.00 0.00 60.65 60.47 1nri s ILE 186 Cb -0.17 -3.78 0.09 0.00 0.01 0.00 0.00 42.46 38.61 1nri s ILE 186 CO 0.02 -0.09 0.10 -1.61 0.00 0.00 0.00 174.94 173.37 1nri s GLU 187 N 1.81 1.97 -0.98 2.79 2.02 -1.26 -2.27 118.70 122.78 1nri s GLU 187 Ca 0.08 -1.69 -0.17 0.00 0.02 0.00 0.00 54.97 53.20 1nri s GLU 187 Cb -0.17 -3.36 0.15 0.00 0.10 0.00 0.00 34.13 30.84 1nri s GLU 187 CO 0.11 -0.91 1.17 0.95 0.02 0.00 0.00 175.26 176.59 1nri s THR 188 N 1.10 4.85 -0.98 3.63 -4.23 -0.44 -4.81 115.64 114.76 1nri s THR 188 Ca 0.05 -1.85 -0.23 0.00 -1.18 0.00 0.00 61.69 58.47 1nri s THR 188 Cb -0.21 -4.79 0.04 0.00 1.34 0.00 0.00 72.50 68.89 1nri s THR 188 CO -0.05 -1.50 1.47 -0.63 -0.54 0.00 0.00 174.62 173.38 1nri s ILE 189 N 2.28 3.87 -1.15 2.99 -1.09 -1.26 -4.32 121.20 122.51 1nri s ILE 189 Ca 0.34 -0.63 0.25 0.00 -2.23 0.00 0.00 60.65 58.38 1nri s ILE 189 Cb -0.05 -4.97 0.04 0.00 -1.58 0.00 0.00 42.46 35.90 1nri s ILE 189 CO -0.08 -1.86 1.41 1.33 -1.23 0.00 0.00 174.94 174.51 1nri n VAL 190 N 6.91 0.00 0.00 2.92 0.24 -1.26 -4.73 118.33 122.41 1nri n VAL 190 Ca 0.31 -0.03 0.00 0.00 -2.04 0.00 0.00 64.34 62.58 1nri n VAL 190 Cb 0.51 0.33 0.00 0.00 -1.47 0.00 0.00 33.84 33.21 1nri n VAL 190 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1nri n GLY 191 N 1.47 -1.15 3.68 7.63 0.00 -1.26 -4.87 105.19 110.69 1nri n GLY 191 Ca 0.07 -1.62 -0.44 0.00 0.00 0.00 0.00 46.02 44.02 1nri n GLY 191 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1nri n PRO 192 N -1.38 2.08 -1.73 1.61 -0.02 -1.26 -4.86 135.00 129.44 1nri n PRO 192 Ca 0.00 0.74 -0.32 0.00 -2.02 0.00 0.00 63.50 61.90 1nri n PRO 192 Cb 0.00 -2.38 0.04 0.00 -0.02 0.00 0.00 33.50 31.14 1nri n PRO 192 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1nri s GLU 193 N -0.78 3.01 0.31 -0.52 0.41 -1.26 -4.76 118.70 115.11 1nri s GLU 193 Ca 0.65 1.08 0.01 0.00 -0.41 0.00 0.00 54.97 56.30 1nri s GLU 193 Cb -0.62 -2.00 0.50 0.00 -1.78 0.00 0.00 34.13 30.23 1nri s GLU 193 CO 0.53 -1.05 1.89 0.97 -0.49 0.00 0.00 175.26 177.11 1nri h ILE 194 N -0.29 1.20 -3.63 -1.63 6.09 -1.93 -3.34 117.51 113.97 1nri h ILE 194 Ca -0.45 -0.66 -0.68 0.00 -1.37 0.00 0.00 64.86 61.69 1nri h ILE 194 Cb 1.22 0.59 -0.28 0.00 0.47 0.00 0.00 36.82 38.82 1nri h ILE 194 CO 0.56 0.26 -0.64 -0.22 -3.07 0.00 0.00 178.15 175.04 1nri s LEU 195 N -9.40 3.97 -0.28 2.19 0.20 -1.26 -4.78 118.68 109.31 1nri s LEU 195 Ca -0.09 -0.95 -0.42 0.00 0.69 0.00 0.00 54.13 53.36 1nri s LEU 195 Cb 0.16 -1.84 -0.17 0.00 -0.43 0.00 0.00 46.19 43.91 1nri s LEU 195 CO 0.78 -0.25 1.61 0.41 -0.29 0.00 0.00 176.35 178.62 1nri n THR 196 N 4.80 0.16 -0.43 3.68 -1.04 -1.25 -0.82 114.28 119.38 1nri n THR 196 Ca -0.14 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.84 1nri n THR 196 Cb 0.46 -0.89 0.00 0.00 -1.82 0.00 0.00 70.33 68.08 1nri n THR 196 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1nri n GLY 197 N 3.77 1.58 3.08 3.41 0.00 -1.20 -4.95 105.19 110.88 1nri n GLY 197 Ca 0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 1nri n GLY 197 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1nri n SER 198 N 0.00 4.19 0.09 1.61 2.88 -0.00 -4.71 113.62 117.66 1nri n SER 198 Ca 0.00 -2.86 0.08 0.00 -1.33 0.00 0.00 58.87 54.76 1nri n SER 198 Cb 0.00 -1.67 0.38 0.00 -0.75 0.00 0.00 64.21 62.17 1nri n SER 198 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1nri n SER 199 N 7.21 0.37 0.31 -3.46 7.64 -1.26 -2.19 113.62 122.23 1nri n SER 199 Ca 0.51 0.62 0.20 0.00 1.01 0.00 0.00 58.87 61.21 1nri n SER 199 Cb 0.42 -0.69 1.00 0.00 -1.01 0.00 0.00 64.21 63.92 1nri n SER 199 CO 0.00 0.00 0.00 0.08 -3.01 0.00 0.00 175.04 172.11 1nri h ARG 200 N 0.00 0.00 0.00 1.43 0.11 -1.96 -1.05 114.38 112.91 1nri h ARG 200 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1nri h ARG 200 Cb 0.17 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.25 1nri h ARG 200 CO 0.00 0.00 0.00 1.28 0.10 0.00 0.00 179.97 181.35 1nri n LEU 201 N -3.02 0.00 -0.26 0.08 4.77 -0.93 -3.88 117.00 113.75 1nri n LEU 201 Ca -0.02 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.97 1nri n LEU 201 Cb 0.15 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.38 1nri n LEU 201 CO 0.22 0.00 1.12 0.11 -1.33 0.00 0.00 177.39 177.51 1nri h LYS 202 N 0.00 0.73 -0.30 3.23 1.57 -1.79 -0.83 116.57 119.17 1nri h LYS 202 Ca 0.00 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.61 1nri h LYS 202 Cb 0.00 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 1nri h LYS 202 CO 0.00 0.48 -0.32 0.77 -0.57 0.00 0.00 179.45 179.81 1nri h SER 203 N 0.75 0.68 -0.45 0.86 0.02 -1.85 -0.68 113.55 112.87 1nri h SER 203 Ca 0.35 -0.27 -0.02 0.00 -0.84 0.00 0.00 61.79 61.01 1nri h SER 203 Cb 0.27 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 1nri h SER 203 CO -0.22 0.95 0.20 1.23 -1.14 0.00 0.00 176.83 177.85 1nri h GLY 204 N 1.00 0.71 1.03 -3.77 0.00 -0.61 0.14 103.07 101.57 1nri h GLY 204 Ca 0.06 -0.37 -0.03 0.00 0.00 0.00 0.00 47.33 46.99 1nri h GLY 204 CO 0.07 0.35 0.40 -0.84 0.00 0.00 0.00 176.54 176.52 1nri h THR 205 N 0.59 1.25 -0.58 4.70 2.02 -0.97 -1.60 112.91 118.32 1nri h THR 205 Ca 0.15 -0.70 -0.06 0.00 0.77 0.00 0.00 66.41 66.57 1nri h THR 205 Cb 0.16 0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 66.75 1nri h THR 205 CO -0.02 0.30 0.13 0.00 0.37 0.00 0.00 175.52 176.31 1nri h ALA 206 N 1.21 0.77 -0.51 6.16 0.00 -0.74 -3.01 119.26 123.14 1nri h ALA 206 Ca 0.28 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1nri h ALA 206 Cb 0.11 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1nri h ALA 206 CO -0.04 0.48 0.06 1.96 0.00 0.00 0.00 179.25 181.72 1nri h GLN 207 N 0.84 0.85 -1.06 0.00 4.20 -0.66 -1.47 115.11 117.82 1nri h GLN 207 Ca 0.18 -0.24 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1nri h GLN 207 Cb 0.37 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.05 1nri h GLN 207 CO 0.00 0.85 0.00 1.17 -0.67 0.00 0.00 178.83 180.19 1nri n LYS 208 N -4.38 0.08 0.00 1.46 4.81 -0.63 -0.80 118.16 118.70 1nri n LYS 208 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.45 1nri n LYS 208 Cb 0.27 -1.26 0.00 0.00 0.02 0.00 0.00 35.03 34.06 1nri n LYS 208 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1nri n VAL 210 N 0.73 0.00 -0.25 3.15 0.31 -0.55 -0.76 118.33 120.96 1nri n VAL 210 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.30 1nri n VAL 210 Cb 0.03 0.00 0.08 0.00 -0.91 0.00 0.00 33.84 33.04 1nri n VAL 210 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1nri h LEU 211 N 0.00 0.69 -1.54 7.52 3.38 -1.23 -0.87 115.31 123.26 1nri h LEU 211 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1nri h LEU 211 Cb 0.00 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.61 1nri h LEU 211 CO 0.00 0.47 0.00 0.59 0.09 0.00 0.00 178.44 179.59 1nri n ASN 212 N -4.69 0.00 0.00 -0.43 3.02 0.06 -1.98 115.26 111.24 1nri n ASN 212 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.63 1nri n ASN 212 Cb 0.10 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.27 1nri n ASN 212 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1nri n LEU 214 N 0.75 0.00 0.05 3.41 4.77 -0.33 -1.00 117.00 124.65 1nri n LEU 214 Ca 0.00 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.78 1nri n LEU 214 Cb 0.00 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 40.95 1nri n LEU 214 CO 0.00 0.00 0.06 0.71 -1.33 0.00 0.00 177.39 176.83 1nri h THR 215 N 0.00 1.46 0.34 -5.08 1.35 -1.68 -2.62 112.91 106.68 1nri h THR 215 Ca 0.00 -2.45 -0.02 0.00 -0.55 0.00 0.00 66.41 63.40 1nri h THR 215 Cb 0.00 3.02 0.00 0.00 -1.73 0.00 0.00 68.15 69.44 1nri h THR 215 CO 0.00 0.70 -0.16 0.74 -0.25 0.00 0.00 175.52 176.55 1nri h THR 216 N -0.21 0.67 -0.33 6.82 2.02 -1.31 -3.10 112.91 117.47 1nri h THR 216 Ca -0.14 -0.04 0.01 0.00 0.77 0.00 0.00 66.41 67.01 1nri h THR 216 Cb 1.64 0.70 -0.02 0.00 -1.74 0.00 0.00 68.15 68.73 1nri h THR 216 CO 0.16 0.01 0.20 0.00 0.37 0.00 0.00 175.52 176.26 1nri h ALA 217 N 0.19 0.42 0.00 6.16 0.00 -1.75 -1.00 119.26 123.27 1nri h ALA 217 Ca -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1nri h ALA 217 Cb 0.36 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1nri h ALA 217 CO 0.08 -0.16 0.00 0.43 0.00 0.00 0.00 179.25 179.60 1nri n SER 218 N -4.89 0.13 0.00 0.00 7.64 -0.99 -1.79 113.62 113.73 1nri n SER 218 Ca -0.00 -0.19 0.00 0.00 1.01 0.00 0.00 58.87 59.69 1nri n SER 218 Cb 0.05 -0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1nri n SER 218 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1nri n ILE 220 N 0.56 0.00 0.26 0.44 5.41 -0.38 -1.57 119.36 124.08 1nri n ILE 220 Ca 0.00 0.00 0.12 0.00 1.00 0.00 0.00 62.75 63.87 1nri n ILE 220 Cb 0.03 0.00 0.73 0.00 -0.71 0.00 0.00 39.64 39.68 1nri n ILE 220 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1nri h LEU 221 N 0.00 0.00 -0.21 1.39 3.38 -1.61 -1.27 115.31 116.99 1nri h LEU 221 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1nri h LEU 221 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1nri h LEU 221 CO 0.00 0.11 -0.03 0.18 0.09 0.00 0.00 178.44 178.79 1nri n LEU 222 N -3.78 0.36 0.00 1.67 4.77 -0.61 -4.91 117.00 114.51 1nri n LEU 222 Ca -0.02 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 1nri n LEU 222 Cb 0.21 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1nri n LEU 222 CO 0.31 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 1nri n GLY 223 N 1.15 0.78 1.53 -0.72 0.00 -0.48 -4.94 105.19 102.51 1nri n GLY 223 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1nri n GLY 223 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1nri n LYS 224 N -2.21 0.85 -3.57 1.61 4.01 -1.26 -4.70 118.16 112.90 1nri n LYS 224 Ca 0.00 0.00 -0.08 0.00 -0.51 0.00 0.00 58.31 57.72 1nri n LYS 224 Cb 0.00 -1.08 -0.04 0.00 -0.51 0.00 0.00 35.03 33.41 1nri n LYS 224 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1nri s TYR 226 N -1.83 0.44 0.00 0.00 5.04 -1.09 -4.97 117.35 114.93 1nri s TYR 226 Ca 0.03 -0.18 0.00 0.00 -2.44 0.00 0.00 57.07 54.48 1nri s TYR 226 Cb -0.01 -0.72 0.00 0.00 0.35 0.00 0.00 41.96 41.59 1nri s TYR 226 CO -0.03 -0.37 0.00 0.39 -1.34 0.00 0.00 175.55 174.20 1nri n GLU 227 N 5.21 0.00 -1.05 4.97 1.02 -1.26 -0.83 120.64 128.70 1nri n GLU 227 Ca -0.06 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.04 1nri n GLU 227 Cb 0.49 0.00 0.15 0.00 -0.02 0.00 0.00 31.44 32.06 1nri n GLU 227 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1nri n ASN 228 N 6.95 2.76 0.00 1.62 0.23 -1.26 -5.14 115.26 120.42 1nri n ASN 228 Ca 0.00 -3.86 0.00 0.00 -0.53 0.00 0.00 54.58 50.19 1nri n ASN 228 Cb 0.00 -0.48 0.00 0.00 -2.08 0.00 0.00 39.78 37.22 1nri n ASN 228 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1nri n LEU 229 N -0.99 0.00 0.00 -4.53 4.77 -0.01 -5.17 117.00 111.06 1nri n LEU 229 Ca 0.27 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 1nri n LEU 229 Cb 0.79 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.88 1nri n LEU 229 CO 0.11 0.00 0.00 1.33 -1.33 0.00 0.00 177.39 177.50 1nri n VAL 231 N 0.00 0.00 -0.64 4.08 0.24 -1.26 -2.69 118.33 118.07 1nri n VAL 231 Ca 0.00 0.00 0.09 0.00 -2.04 0.00 0.00 64.34 62.39 1nri n VAL 231 Cb 0.00 0.00 0.37 0.00 -1.47 0.00 0.00 33.84 32.74 1nri n VAL 231 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1nri n ASP 232 N 0.00 4.94 -4.73 -1.34 8.00 -1.26 -4.99 116.55 117.16 1nri n ASP 232 Ca 0.00 -2.55 -0.41 0.00 0.71 0.00 0.00 54.79 52.54 1nri n ASP 232 Cb 0.00 -0.60 0.00 0.00 -0.02 0.00 0.00 41.12 40.50 1nri n ASP 232 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 1nri n VAL 233 N 1.01 2.27 -3.50 2.53 3.14 -1.24 -2.07 118.33 120.46 1nri n VAL 233 Ca 0.26 -0.50 -0.42 0.00 -2.96 0.00 0.00 64.34 60.72 1nri n VAL 233 Cb 0.95 -1.73 -0.08 0.00 -1.06 0.00 0.00 33.84 31.92 1nri n VAL 233 CO 0.00 0.00 0.00 -1.10 -6.46 0.00 0.00 176.83 169.27 1nri s GLN 234 N -2.12 2.60 -0.25 1.45 -0.21 -0.06 -4.90 119.66 116.17 1nri s GLN 234 Ca 0.57 -1.73 -0.29 0.00 0.02 0.00 0.00 55.36 53.93 1nri s GLN 234 Cb -0.51 -4.00 -0.03 0.00 1.00 0.00 0.00 33.01 29.48 1nri s GLN 234 CO 0.61 -1.21 1.70 0.00 -2.12 0.00 0.00 175.29 174.27 1nri s ALA 235 N 1.42 3.14 0.00 6.09 0.00 -1.26 -4.82 121.76 126.33 1nri s ALA 235 Ca 0.05 0.44 0.00 0.00 0.00 0.00 0.00 51.96 52.45 1nri s ALA 235 Cb -0.27 -3.91 0.00 0.00 0.00 0.00 0.00 23.12 18.94 1nri s ALA 235 CO 0.00 -2.17 0.82 -1.13 0.00 0.00 0.00 175.76 173.28 1nri n SER 236 N 9.06 1.61 -3.75 0.00 3.41 -1.26 -4.87 113.62 117.83 1nri n SER 236 Ca 0.20 -1.64 -0.09 0.00 -0.26 0.00 0.00 58.87 57.08 1nri n SER 236 Cb 0.46 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.38 1nri n SER 236 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1nri s ASN 237 N -0.64 -0.32 0.27 4.04 6.03 -1.26 -5.06 114.94 117.99 1nri s ASN 237 Ca 0.00 -0.47 -0.01 0.00 -1.03 0.00 0.00 52.86 51.35 1nri s ASN 237 Cb 0.00 0.67 0.54 0.00 -3.03 0.00 0.00 41.25 39.43 1nri s ASN 237 CO 0.00 -1.21 1.77 -0.33 -2.03 0.00 0.00 177.10 175.30 1nri h GLU 238 N 2.04 0.64 0.57 3.55 4.39 -1.98 -0.46 114.58 123.34 1nri h GLU 238 Ca -0.24 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.40 1nri h GLU 238 Cb 1.27 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.77 1nri h GLU 238 CO 0.29 0.42 -0.36 -0.22 -1.16 0.00 0.00 179.01 177.98 1nri h LYS 239 N 0.66 -0.85 -0.39 2.33 3.64 -1.98 0.84 116.57 120.82 1nri h LYS 239 Ca 0.47 0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.90 1nri h LYS 239 Cb 0.65 0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.64 1nri h LYS 239 CO -0.35 -0.57 0.21 -0.07 -2.27 0.00 0.00 179.45 176.39 1nri h LEU 240 N -0.88 0.46 -0.63 5.20 3.38 -1.88 0.98 115.31 121.94 1nri h LEU 240 Ca -0.07 -0.03 -0.14 0.00 0.09 0.00 0.00 57.88 57.73 1nri h LEU 240 Cb 0.72 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1nri h LEU 240 CO 0.07 0.38 -0.43 0.11 0.09 0.00 0.00 178.44 178.66 1nri h LYS 241 N 0.53 0.58 0.00 1.13 1.57 -0.83 -0.85 116.57 118.69 1nri h LYS 241 Ca 0.14 -0.31 -0.12 0.00 -1.87 0.00 0.00 60.65 58.49 1nri h LYS 241 Cb 0.03 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 1nri h LYS 241 CO -0.02 0.90 -0.59 0.00 -0.57 0.00 0.00 179.45 179.17 1nri h ALA 242 N 1.06 0.85 -0.14 3.86 0.00 0.09 -3.01 119.26 121.98 1nri h ALA 242 Ca 0.03 -0.54 -0.21 0.00 0.00 0.00 0.00 54.91 54.20 1nri h ALA 242 Cb 0.94 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.65 1nri h ALA 242 CO 0.08 0.74 -0.77 -0.09 0.00 0.00 0.00 179.25 179.21 1nri h ARG 243 N 0.00 0.70 -0.81 0.00 2.43 -0.51 -2.24 114.38 113.95 1nri h ARG 243 Ca -0.01 -0.57 0.03 0.00 -0.81 0.00 0.00 59.98 58.62 1nri h ARG 243 Cb 1.17 0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 30.79 1nri h ARG 243 CO 0.08 1.18 0.52 0.00 -1.51 0.00 0.00 179.97 180.24 1nri h ALA 244 N 0.66 1.06 -0.54 2.80 0.00 -1.09 0.32 119.26 122.47 1nri h ALA 244 Ca -0.05 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 1nri h ALA 244 Cb 1.38 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1nri h ALA 244 CO 0.15 0.36 -0.02 0.28 0.00 0.00 0.00 179.25 180.02 1nri h VAL 245 N 1.03 1.27 -0.53 0.00 2.07 -1.50 -2.62 116.25 115.97 1nri h VAL 245 Ca 0.32 -1.15 -0.04 0.00 0.82 0.00 0.00 66.70 66.65 1nri h VAL 245 Cb -0.02 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 1nri h VAL 245 CO -0.10 0.41 0.17 -0.09 0.02 0.00 0.00 177.57 177.98 1nri h ARG 246 N 0.85 0.82 0.17 1.57 2.43 -0.68 -3.09 114.38 116.45 1nri h ARG 246 Ca 0.15 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1nri h ARG 246 Cb 0.57 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 1nri h ARG 246 CO 0.03 0.75 -0.17 0.82 -1.51 0.00 0.00 179.97 179.90 1nri h ILE 247 N 0.73 0.63 0.00 1.20 2.04 -0.28 0.93 117.51 122.75 1nri h ILE 247 Ca 0.17 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.03 1nri h ILE 247 Cb 0.27 0.63 0.00 0.00 -0.74 0.00 0.00 36.82 36.97 1nri h ILE 247 CO -0.01 0.00 0.00 0.52 0.00 0.00 0.00 178.15 178.66 1nri n VAL 306 N -5.29 0.00 0.00 1.67 0.31 -1.00 -0.68 118.33 113.34 1nri n VAL 306 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 1nri n VAL 306 Cb 0.21 -0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.14 1nri n VAL 306 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1nri n GLN 250 N 0.29 0.00 -0.10 5.55 6.02 0.32 -1.66 117.38 127.80 1nri n GLN 250 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.85 1nri n GLN 250 Cb 0.00 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.22 1nri n GLN 250 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1nri h ALA 251 N 0.00 0.46 -3.16 -1.58 0.00 -1.16 -3.42 119.26 110.41 1nri h ALA 251 Ca 0.00 -0.44 -0.48 0.00 0.00 0.00 0.00 54.91 54.00 1nri h ALA 251 Cb 0.00 -0.09 -0.40 0.00 0.00 0.00 0.00 17.79 17.29 1nri h ALA 251 CO 0.00 0.54 -0.76 0.95 0.00 0.00 0.00 179.25 179.98 1nri s THR 252 N -4.30 0.17 -0.37 0.00 -4.23 -0.66 -5.06 115.64 101.18 1nri s THR 252 Ca -0.12 -0.26 -0.12 0.00 -1.18 0.00 0.00 61.69 60.01 1nri s THR 252 Cb 0.09 -0.72 -0.11 0.00 1.34 0.00 0.00 72.50 73.10 1nri s THR 252 CO 0.85 -0.20 1.37 0.47 -0.54 0.00 0.00 174.62 176.58 1nri n ASP 253 N 5.19 -0.54 -0.66 3.99 9.92 -1.26 -4.80 116.55 128.38 1nri n ASP 253 Ca -0.08 -1.76 0.00 0.00 -0.53 0.00 0.00 54.79 52.42 1nri n ASP 253 Cb 0.48 -0.92 0.00 0.00 -0.64 0.00 0.00 41.12 40.05 1nri n ASP 253 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1nri s ASN 255 N 0.29 0.31 0.00 0.00 -0.87 -1.26 -4.96 114.94 108.45 1nri s ASN 255 Ca 0.00 -1.33 0.21 0.00 -1.57 0.00 0.00 52.86 50.16 1nri s ASN 255 Cb 0.00 0.33 1.23 0.00 -0.02 0.00 0.00 41.25 42.79 1nri s ASN 255 CO 0.00 -0.79 1.62 0.29 -2.57 0.00 0.00 177.10 175.64