#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aib n PHE 6 N 0.00 0.00 -0.32 1.12 3.72 -1.26 -4.67 117.46 116.05 1aib n PHE 6 Ca 0.00 0.00 0.18 0.00 -0.05 0.00 0.00 57.45 57.58 1aib n PHE 6 Cb 0.00 0.00 0.43 0.00 -0.94 0.00 0.00 39.48 38.97 1aib n PHE 6 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1aib h GLU 7 N 3.86 0.54 -0.35 -1.08 3.07 -2.12 -2.91 114.58 115.58 1aib h GLU 7 Ca 0.00 -0.03 -0.27 0.00 -0.50 0.00 0.00 59.36 58.56 1aib h GLU 7 Cb 0.86 -0.12 -0.30 0.00 -0.84 0.00 0.00 28.75 28.35 1aib h GLU 7 CO 0.00 0.35 -0.83 -1.71 -1.40 0.00 0.00 179.01 175.43 1aib n ASN 8 N -4.69 2.70 -4.73 1.42 2.85 -1.26 -5.01 115.26 106.53 1aib n ASN 8 Ca 0.24 -3.16 -0.40 0.00 -0.11 0.00 0.00 54.58 51.14 1aib n ASN 8 Cb 0.72 -0.42 -0.05 0.00 1.24 0.00 0.00 39.78 41.28 1aib n ASN 8 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1aib s ILE 9 N -3.30 4.81 0.23 -1.44 1.01 -1.10 -5.05 121.20 116.35 1aib s ILE 9 Ca 0.40 1.69 -0.08 0.00 0.00 0.00 0.00 60.65 62.66 1aib s ILE 9 Cb 0.38 -4.15 -0.07 0.00 0.01 0.00 0.00 42.46 38.63 1aib s ILE 9 CO -0.04 0.30 0.53 0.42 0.00 0.00 0.00 174.94 176.16 1aib s THR 10 N 0.31 4.97 0.58 2.92 -4.23 -1.26 -5.02 115.64 113.91 1aib s THR 10 Ca 0.41 0.35 0.06 0.00 -1.18 0.00 0.00 61.69 61.33 1aib s THR 10 Cb -0.20 -3.64 0.08 0.00 1.34 0.00 0.00 72.50 70.08 1aib s THR 10 CO 0.23 -0.11 0.96 0.00 -0.54 0.00 0.00 174.62 175.16 1aib n ALA 11 N -0.28 0.21 -2.10 3.99 0.00 -1.26 -4.99 120.51 116.09 1aib n ALA 11 Ca -0.00 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1aib n ALA 11 Cb 0.53 -0.13 0.00 0.00 0.00 0.00 0.00 19.45 19.85 1aib n ALA 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1aib n ALA 12 N -1.57 -1.93 -1.24 0.00 0.00 -1.26 -4.95 120.51 109.56 1aib n ALA 12 Ca 0.05 0.46 -0.33 0.00 0.00 0.00 0.00 53.44 53.62 1aib n ALA 12 Cb 1.01 -1.43 0.10 0.00 0.00 0.00 0.00 19.45 19.13 1aib n ALA 12 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1aib s PRO 13 N -0.50 2.03 0.24 0.00 0.04 -1.26 -4.96 135.00 130.59 1aib s PRO 13 Ca 0.00 1.60 -0.30 0.00 0.04 0.00 0.00 61.00 62.34 1aib s PRO 13 Cb 0.00 -1.84 -0.09 0.00 0.04 0.00 0.00 34.50 32.61 1aib s PRO 13 CO 0.00 -1.88 1.23 0.00 0.04 0.00 0.00 177.00 176.39 1aib s ALA 14 N -2.27 3.47 0.25 8.56 0.00 -1.26 -4.97 121.76 125.54 1aib s ALA 14 Ca 0.70 1.05 -0.30 0.00 0.00 0.00 0.00 51.96 53.41 1aib s ALA 14 Cb -0.25 -3.42 -0.10 0.00 0.00 0.00 0.00 23.12 19.34 1aib s ALA 14 CO 0.48 -0.42 1.43 0.34 0.00 0.00 0.00 175.76 177.59 1aib s ASP 15 N -0.20 6.66 0.24 0.00 -1.08 -1.26 -4.92 116.67 116.11 1aib s ASP 15 Ca 0.51 2.67 -0.05 0.00 -0.52 0.00 0.00 52.55 55.16 1aib s ASP 15 Cb -0.35 -2.63 0.43 0.00 -1.46 0.00 0.00 42.92 38.91 1aib s ASP 15 CO 0.42 -0.69 1.75 1.55 0.52 0.00 0.00 175.17 178.72 1aib h PRO 16 N 4.91 0.50 0.00 4.34 0.13 -1.99 -2.16 132.00 137.73 1aib h PRO 16 Ca -0.46 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 64.62 1aib h PRO 16 Cb 1.22 -0.11 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 1aib h PRO 16 CO 0.77 0.33 -0.25 0.82 -0.23 0.00 0.00 178.00 179.44 1aib h ILE 17 N 0.52 0.38 -0.78 -3.56 1.08 -1.94 -3.40 117.51 109.81 1aib h ILE 17 Ca 0.40 -1.33 -0.02 0.00 -0.39 0.00 0.00 64.86 63.51 1aib h ILE 17 Cb 0.55 0.76 -0.04 0.00 -3.07 0.00 0.00 36.82 35.02 1aib h ILE 17 CO -0.35 0.13 0.39 -0.07 -0.69 0.00 0.00 178.15 177.55 1aib h LEU 18 N -1.00 1.00 -0.60 1.44 4.07 -1.92 -3.13 115.31 115.17 1aib h LEU 18 Ca -0.03 -0.11 0.00 0.00 0.08 0.00 0.00 57.88 57.82 1aib h LEU 18 Cb 0.42 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 41.90 1aib h LEU 18 CO -0.02 0.83 0.00 1.23 -1.08 0.00 0.00 178.44 179.40 1aib h GLY 19 N 1.14 0.00 2.00 0.83 0.00 -1.62 -2.77 103.07 102.65 1aib h GLY 19 Ca 0.27 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.45 1aib h GLY 19 CO -0.04 0.00 -0.71 -2.00 0.00 0.00 0.00 176.54 173.79 1aib h LEU 20 N 0.00 0.00 -0.31 3.11 7.12 -1.75 -3.27 115.31 120.21 1aib h LEU 20 Ca 0.00 0.00 0.07 0.00 0.13 0.00 0.00 57.88 58.08 1aib h LEU 20 Cb 0.49 0.00 -0.07 0.00 -0.53 0.00 0.00 40.66 40.55 1aib h LEU 20 CO 0.00 0.71 -0.16 0.00 -0.13 0.00 0.00 178.44 178.87 1aib h ALA 21 N 1.29 0.08 -0.67 1.25 0.00 -1.65 -1.94 119.26 117.61 1aib h ALA 21 Ca -0.01 0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.07 1aib h ALA 21 Cb 1.36 0.38 -0.05 0.00 0.00 0.00 0.00 17.79 19.47 1aib h ALA 21 CO 0.09 -0.55 0.38 -0.44 0.00 0.00 0.00 179.25 178.74 1aib h ASP 22 N -0.11 0.59 -0.54 0.00 3.32 -1.71 -0.75 116.42 117.21 1aib h ASP 22 Ca 0.16 0.02 0.12 0.00 0.02 0.00 0.00 57.03 57.35 1aib h ASP 22 Cb 0.36 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.78 1aib h ASP 22 CO -0.38 0.39 0.37 0.25 -1.72 0.00 0.00 179.24 178.15 1aib h LEU 23 N 0.72 0.19 0.06 1.55 6.46 -1.46 0.05 115.31 122.89 1aib h LEU 23 Ca 0.29 0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 58.06 1aib h LEU 23 Cb 0.15 -0.03 0.00 0.00 -0.73 0.00 0.00 40.66 40.05 1aib h LEU 23 CO -0.16 0.11 -0.03 0.15 -0.62 0.00 0.00 178.44 177.89 1aib h PHE 24 N 0.21 -0.08 -0.45 1.25 3.57 -0.55 -3.05 116.94 117.84 1aib h PHE 24 Ca 0.26 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.83 1aib h PHE 24 Cb 0.72 0.03 -0.10 0.00 2.79 0.00 0.00 35.95 39.39 1aib h PHE 24 CO -0.00 -0.05 -0.39 -0.09 -2.23 0.00 0.00 178.31 175.55 1aib h ARG 25 N -0.80 -0.26 0.00 1.11 2.43 -0.97 0.50 114.38 116.39 1aib h ARG 25 Ca -0.01 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1aib h ARG 25 Cb 0.07 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1aib h ARG 25 CO 0.01 -0.18 0.00 0.00 -1.51 0.00 0.00 179.97 178.30 1aib n ALA 26 N -3.07 2.02 0.32 2.80 0.00 -0.01 -3.53 120.51 119.04 1aib n ALA 26 Ca 0.01 -0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.49 1aib n ALA 26 Cb 0.35 -1.20 0.07 0.00 0.00 0.00 0.00 19.45 18.66 1aib n ALA 26 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1aib h ASP 27 N 0.00 0.00 -6.74 0.00 2.03 -0.77 -3.48 116.42 107.45 1aib h ASP 27 Ca 0.00 -0.11 -0.34 0.00 -0.73 0.00 0.00 57.03 55.85 1aib h ASP 27 Cb 0.00 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 38.44 1aib h ASP 27 CO 0.00 0.06 -0.56 -1.84 -1.03 0.00 0.00 179.24 175.87 1aib n GLU 28 N -2.42 -0.74 -3.24 4.15 0.28 -1.23 -4.98 120.64 112.46 1aib n GLU 28 Ca 0.01 -0.10 -0.27 0.00 -0.16 0.00 0.00 57.16 56.65 1aib n GLU 28 Cb 0.50 -1.39 -0.02 0.00 1.43 0.00 0.00 31.44 31.96 1aib n GLU 28 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 1aib s ARG 29 N -5.99 3.58 0.00 3.44 6.06 -1.26 -5.12 118.95 119.66 1aib s ARG 29 Ca 0.16 -0.05 0.00 0.00 -2.50 0.00 0.00 55.73 53.34 1aib s ARG 29 Cb -0.09 -2.61 0.00 0.00 0.06 0.00 0.00 34.95 32.31 1aib s ARG 29 CO 0.55 0.13 0.00 -2.30 -2.50 0.00 0.00 175.30 171.18 1aib n PRO 30 N -1.35 0.00 0.00 5.12 -0.02 -1.26 -4.48 135.00 133.01 1aib n PRO 30 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.46 1aib n PRO 30 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.03 1aib n PRO 30 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1aib n GLY 31 N 0.00 1.78 3.49 -1.23 0.00 -1.26 -4.93 105.19 103.04 1aib n GLY 31 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1aib n GLY 31 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1aib n LYS 32 N 0.45 0.62 -4.89 1.61 2.85 -1.26 -4.86 118.16 112.68 1aib n LYS 32 Ca 0.00 0.24 -0.27 0.00 -1.05 0.00 0.00 58.31 57.23 1aib n LYS 32 Cb 0.43 -1.73 -0.15 0.00 -0.65 0.00 0.00 35.03 32.93 1aib n LYS 32 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 1aib s ILE 33 N -1.63 1.67 -0.25 0.58 1.01 -0.70 -4.98 121.20 116.90 1aib s ILE 33 Ca 0.68 -1.01 0.01 0.00 0.00 0.00 0.00 60.65 60.33 1aib s ILE 33 Cb -0.48 -1.41 0.06 0.00 0.01 0.00 0.00 42.46 40.65 1aib s ILE 33 CO 0.55 0.37 -0.06 0.21 0.00 0.00 0.00 174.94 176.01 1aib s ASN 34 N -0.75 4.04 0.00 3.58 2.47 -1.26 -0.80 114.94 122.22 1aib s ASN 34 Ca 0.08 -1.29 0.18 0.00 0.42 0.00 0.00 52.86 52.26 1aib s ASN 34 Cb -0.08 -1.28 0.15 0.00 -1.45 0.00 0.00 41.25 38.59 1aib s ASN 34 CO 0.00 -0.24 1.09 0.18 -3.72 0.00 0.00 177.10 174.41 1aib n LEU 35 N 4.60 2.55 -0.56 3.21 4.77 0.14 -4.40 117.00 127.30 1aib n LEU 35 Ca -0.11 -1.01 0.03 0.00 -0.03 0.00 0.00 56.01 54.89 1aib n LEU 35 Cb 0.43 -0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.63 1aib n LEU 35 CO 0.19 0.45 0.54 0.61 -1.33 0.00 0.00 177.39 177.84 1aib n GLY 36 N 1.04 0.61 3.88 -0.72 0.00 -0.47 -1.26 105.19 108.27 1aib n GLY 36 Ca 0.11 -0.25 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 1aib n GLY 36 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1aib s ILE 37 N -1.65 4.76 -0.26 -0.61 -0.00 -1.26 -4.86 121.20 117.31 1aib s ILE 37 Ca 0.15 0.68 0.09 0.00 -0.00 0.00 0.00 60.65 61.58 1aib s ILE 37 Cb 0.09 -3.85 0.47 0.00 -0.00 0.00 0.00 42.46 39.17 1aib s ILE 37 CO 0.08 -0.97 1.35 0.61 -0.00 0.00 0.00 174.94 176.01 1aib n GLY 38 N -2.39 5.10 3.28 6.27 0.00 -1.26 -4.71 105.19 111.48 1aib n GLY 38 Ca 0.04 -1.34 -0.26 0.00 0.00 0.00 0.00 46.02 44.46 1aib n GLY 38 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1aib s VAL 39 N -3.32 1.78 0.82 1.61 1.01 -1.26 -5.08 120.40 115.96 1aib s VAL 39 Ca 0.42 -1.35 -0.12 0.00 0.00 0.00 0.00 61.98 60.93 1aib s VAL 39 Cb 0.39 -1.56 0.09 0.00 0.00 0.00 0.00 36.38 35.30 1aib s VAL 39 CO -0.03 0.15 1.15 -0.47 0.00 0.00 0.00 175.10 175.89 1aib s TYR 40 N -0.91 1.99 -0.19 5.22 5.04 -1.26 -4.79 117.35 122.45 1aib s TYR 40 Ca 0.08 1.68 -0.10 0.00 -2.44 0.00 0.00 57.07 56.29 1aib s TYR 40 Cb -0.09 -3.30 0.07 0.00 0.35 0.00 0.00 41.96 38.98 1aib s TYR 40 CO 0.03 -2.48 0.46 0.21 -1.34 0.00 0.00 175.55 172.43 1aib s LYS 41 N -4.49 0.44 0.55 4.97 2.36 -1.25 -4.51 119.74 117.81 1aib s LYS 41 Ca 0.67 0.91 -0.04 0.00 -2.55 0.00 0.00 55.97 54.96 1aib s LYS 41 Cb -0.23 0.07 0.12 0.00 -1.05 0.00 0.00 37.83 36.74 1aib s LYS 41 CO 0.53 -0.17 0.76 -0.40 1.55 0.00 0.00 175.35 177.62 1aib n ASP 42 N 4.46 0.62 -0.13 1.43 5.75 -0.18 -4.63 116.55 123.87 1aib n ASP 42 Ca -0.20 -1.61 0.28 0.00 -0.01 0.00 0.00 54.79 53.24 1aib n ASP 42 Cb 0.55 -0.53 0.68 0.00 -1.03 0.00 0.00 41.12 40.80 1aib n ASP 42 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 1aib h GLU 43 N 0.00 0.00 0.00 0.11 4.81 -1.91 0.92 114.58 118.51 1aib h GLU 43 Ca -0.25 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.98 1aib h GLU 43 Cb 0.82 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.20 1aib h GLU 43 CO 0.23 0.00 -1.00 0.25 -0.73 0.00 0.00 179.01 177.76 1aib n THR 44 N -3.78 0.56 0.00 0.32 -2.24 -1.26 -4.77 114.28 103.10 1aib n THR 44 Ca 0.18 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 1aib n THR 44 Cb 1.06 -0.28 0.00 0.00 -2.10 0.00 0.00 70.33 69.01 1aib n THR 44 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1aib n GLY 45 N 1.21 1.46 3.40 3.38 0.00 0.32 -5.11 105.19 109.85 1aib n GLY 45 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 1aib n GLY 45 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1aib s LYS 46 N -0.43 1.21 -0.78 1.61 -2.85 -1.26 -4.86 119.74 112.38 1aib s LYS 46 Ca 0.00 -0.92 -0.00 0.00 -1.00 0.00 0.00 55.97 54.04 1aib s LYS 46 Cb 0.00 0.46 0.19 0.00 -2.06 0.00 0.00 37.83 36.42 1aib s LYS 46 CO 0.00 -0.48 0.63 0.99 0.10 0.00 0.00 175.35 176.59 1aib s THR 47 N -3.88 3.86 0.98 3.79 2.01 -1.26 -1.01 115.64 120.13 1aib s THR 47 Ca 0.10 -3.75 -0.13 0.00 0.31 0.00 0.00 61.69 58.22 1aib s THR 47 Cb 0.01 -3.45 0.18 0.00 0.01 0.00 0.00 72.50 69.26 1aib s THR 47 CO -0.05 -1.02 1.13 -2.84 -0.69 0.00 0.00 174.62 171.16 1aib s PRO 48 N -1.07 0.54 -0.28 4.92 0.02 -1.26 -5.00 135.00 132.87 1aib s PRO 48 Ca 0.24 0.27 -0.16 0.00 0.02 0.00 0.00 61.00 61.38 1aib s PRO 48 Cb -0.10 -1.77 -0.03 0.00 0.02 0.00 0.00 34.50 32.62 1aib s PRO 48 CO -0.11 -2.60 0.41 0.08 -0.33 0.00 0.00 177.00 174.45 1aib s VAL 49 N -3.17 5.14 0.29 3.83 1.01 -1.26 -4.91 120.40 121.32 1aib s VAL 49 Ca 0.66 0.60 -0.29 0.00 0.00 0.00 0.00 61.98 62.95 1aib s VAL 49 Cb -0.15 -3.75 -0.13 0.00 0.00 0.00 0.00 36.38 32.35 1aib s VAL 49 CO 0.55 0.11 1.19 0.18 0.00 0.00 0.00 175.10 177.13 1aib n LEU 50 N 5.41 2.62 -0.37 3.92 4.32 -1.26 -4.83 117.00 126.79 1aib n LEU 50 Ca -0.07 1.18 0.01 0.00 -0.02 0.00 0.00 56.01 57.10 1aib n LEU 50 Cb 0.50 -1.38 0.15 0.00 -1.62 0.00 0.00 43.42 41.08 1aib n LEU 50 CO 0.38 -0.91 1.28 0.74 -1.22 0.00 0.00 177.39 177.67 1aib h THR 51 N 2.44 1.17 0.00 -5.08 2.02 -1.97 -2.15 112.91 109.33 1aib h THR 51 Ca -0.43 -0.43 -0.07 0.00 0.77 0.00 0.00 66.41 66.25 1aib h THR 51 Cb 1.31 -0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 1aib h THR 51 CO 0.65 0.23 -0.32 0.77 0.37 0.00 0.00 175.52 177.22 1aib h SER 52 N 1.26 0.00 0.29 4.18 4.64 -1.92 0.11 113.55 122.12 1aib h SER 52 Ca 0.40 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.71 1aib h SER 52 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1aib h SER 52 CO -0.13 0.32 -0.14 0.58 -0.87 0.00 0.00 176.83 176.60 1aib h VAL 53 N 0.00 0.70 -0.89 0.95 2.07 -1.83 -1.72 116.25 115.54 1aib h VAL 53 Ca -0.00 -0.66 0.14 0.00 0.82 0.00 0.00 66.70 66.99 1aib h VAL 53 Cb 0.68 1.03 -0.07 0.00 -1.52 0.00 0.00 31.29 31.41 1aib h VAL 53 CO 0.04 0.13 0.57 0.50 0.02 0.00 0.00 177.57 178.83 1aib h LYS 54 N -0.77 0.69 -0.22 1.57 1.63 -0.78 0.48 116.57 119.17 1aib h LYS 54 Ca -0.04 -0.04 -0.09 0.00 -0.85 0.00 0.00 60.65 59.63 1aib h LYS 54 Cb 0.51 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 31.97 1aib h LYS 54 CO 0.07 0.46 -0.24 0.87 -3.45 0.00 0.00 179.45 177.16 1aib h LYS 55 N 0.72 0.41 0.11 1.90 1.57 -0.66 -2.47 116.57 118.14 1aib h LYS 55 Ca 0.44 -0.14 -0.27 0.00 -1.87 0.00 0.00 60.65 58.82 1aib h LYS 55 Cb 0.68 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.96 1aib h LYS 55 CO -0.20 0.62 -1.24 0.00 -0.57 0.00 0.00 179.45 178.06 1aib h ALA 56 N 1.39 0.16 0.00 3.86 0.00 0.72 -2.97 119.26 122.42 1aib h ALA 56 Ca 0.06 -0.92 -0.00 0.00 0.00 0.00 0.00 54.91 54.05 1aib h ALA 56 Cb 0.61 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1aib h ALA 56 CO 0.04 1.04 -0.01 0.93 0.00 0.00 0.00 179.25 181.26 1aib h GLU 57 N 0.06 0.00 0.08 0.00 5.08 -0.13 -2.07 114.58 117.60 1aib h GLU 57 Ca -0.13 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.08 1aib h GLU 57 Cb 1.94 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.20 1aib h GLU 57 CO 0.19 0.01 -0.73 0.37 -1.00 0.00 0.00 179.01 177.84 1aib h GLN 58 N 0.00 0.16 -0.80 2.33 5.75 -1.40 -2.60 115.11 118.56 1aib h GLN 58 Ca -0.00 -0.28 0.19 0.00 -0.15 0.00 0.00 58.65 58.41 1aib h GLN 58 Cb 0.29 0.10 -0.14 0.00 1.07 0.00 0.00 27.48 28.81 1aib h GLN 58 CO 0.00 1.13 0.06 -0.92 -2.65 0.00 0.00 178.83 176.46 1aib h TYR 59 N -0.62 0.05 -0.11 3.99 3.20 -1.33 -0.48 116.97 121.67 1aib h TYR 59 Ca -0.15 0.06 -0.16 0.00 3.14 0.00 0.00 58.73 61.61 1aib h TYR 59 Cb 1.43 0.11 0.01 0.00 1.54 0.00 0.00 36.73 39.82 1aib h TYR 59 CO 0.20 -0.24 -0.57 -0.07 -1.64 0.00 0.00 178.16 175.83 1aib h LEU 60 N 0.13 0.68 -0.94 2.82 3.38 -1.46 -2.07 115.31 117.85 1aib h LEU 60 Ca 0.46 -0.65 0.26 0.00 0.09 0.00 0.00 57.88 58.04 1aib h LEU 60 Cb 0.85 -0.20 -0.13 0.00 0.09 0.00 0.00 40.66 41.26 1aib h LEU 60 CO -0.68 1.22 0.44 0.25 0.09 0.00 0.00 178.44 179.77 1aib h LEU 61 N 0.19 0.37 -0.05 1.67 6.46 -0.71 -0.51 115.31 122.73 1aib h LEU 61 Ca -0.04 0.17 -0.25 0.00 -0.12 0.00 0.00 57.88 57.64 1aib h LEU 61 Cb 1.22 0.14 0.01 0.00 -0.73 0.00 0.00 40.66 41.30 1aib h LEU 61 CO 0.12 -0.05 -1.05 -0.33 -0.62 0.00 0.00 178.44 176.51 1aib h GLU 62 N 0.37 0.50 0.00 1.25 5.08 -1.21 -3.39 114.58 117.18 1aib h GLU 62 Ca 0.62 -0.59 -0.09 0.00 -1.00 0.00 0.00 59.36 58.31 1aib h GLU 62 Cb 1.27 0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.68 1aib h GLU 62 CO -0.57 1.22 -1.69 0.09 -1.00 0.00 0.00 179.01 177.05 1aib n ASN 63 N -3.76 0.38 -4.69 1.42 4.13 -0.50 -4.91 115.26 107.34 1aib n ASN 63 Ca -0.09 0.16 -0.42 0.00 1.68 0.00 0.00 54.58 55.90 1aib n ASN 63 Cb 0.89 1.12 -0.03 0.00 -1.54 0.00 0.00 39.78 40.22 1aib n ASN 63 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1aib s GLU 64 N -3.22 4.29 -0.01 3.52 2.02 -0.32 -4.88 118.70 120.10 1aib s GLU 64 Ca -0.05 1.89 0.16 0.00 0.02 0.00 0.00 54.97 56.99 1aib s GLU 64 Cb 0.11 -3.60 -0.23 0.00 0.10 0.00 0.00 34.13 30.51 1aib s GLU 64 CO 0.85 -0.57 0.46 0.25 0.02 0.00 0.00 175.26 176.28 1aib n THR 66 N 4.73 0.00 -3.75 3.63 -2.24 -1.26 -4.99 114.28 110.39 1aib n THR 66 Ca 0.13 -0.29 -0.12 0.00 -2.27 0.00 0.00 64.05 61.50 1aib n THR 66 Cb 0.44 0.42 -0.08 0.00 -2.10 0.00 0.00 70.33 69.02 1aib n THR 66 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1aib s THR 67 N -2.92 0.08 -0.26 4.28 -1.32 -1.26 -5.02 115.64 109.21 1aib s THR 67 Ca -0.02 -0.63 0.10 0.00 -1.21 0.00 0.00 61.69 59.93 1aib s THR 67 Cb 0.11 -0.87 0.48 0.00 -1.51 0.00 0.00 72.50 70.71 1aib s THR 67 CO 0.67 -0.35 1.40 0.29 -2.21 0.00 0.00 174.62 174.42 1aib n LYS 68 N 0.72 1.82 -1.85 7.08 5.02 -1.26 -5.05 118.16 124.64 1aib n LYS 68 Ca -0.19 -3.18 -0.37 0.00 -2.02 0.00 0.00 58.31 52.55 1aib n LYS 68 Cb 0.59 -1.77 0.05 0.00 -0.02 0.00 0.00 35.03 33.88 1aib n LYS 68 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1aib s ASN 69 N -2.67 4.98 0.30 4.39 2.47 -1.26 -4.87 114.94 118.27 1aib s ASN 69 Ca 0.43 2.58 -0.26 0.00 0.42 0.00 0.00 52.86 56.03 1aib s ASN 69 Cb 0.39 -2.62 -0.15 0.00 -1.45 0.00 0.00 41.25 37.43 1aib s ASN 69 CO -0.01 -1.75 0.61 -1.22 -3.72 0.00 0.00 177.10 171.01 1aib n TYR 70 N -1.55 -0.19 -1.86 0.43 4.01 -1.26 -5.01 117.16 111.73 1aib n TYR 70 Ca 0.14 0.78 -0.30 0.00 -0.16 0.00 0.00 57.90 58.35 1aib n TYR 70 Cb 0.48 -2.03 0.05 0.00 -0.31 0.00 0.00 39.34 37.53 1aib n TYR 70 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1aib s LEU 71 N 2.16 2.92 0.00 7.72 1.43 -1.26 -5.08 118.68 126.57 1aib s LEU 71 Ca 0.62 1.18 -0.24 0.00 -1.03 0.00 0.00 54.13 54.65 1aib s LEU 71 Cb -0.76 -3.99 0.38 0.00 0.03 0.00 0.00 46.19 41.85 1aib s LEU 71 CO 0.58 -1.33 0.89 0.61 0.23 0.00 0.00 176.35 177.34 1aib n GLY 72 N -2.92 -3.87 0.11 -3.19 0.00 -1.26 -4.87 105.19 89.19 1aib n GLY 72 Ca 0.07 -1.31 -0.02 0.00 0.00 0.00 0.00 46.02 44.76 1aib n GLY 72 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1aib h ILE 73 N -3.59 1.35 -0.01 -0.61 2.04 -1.97 -2.92 117.51 111.81 1aib h ILE 73 Ca -0.40 -2.64 0.00 0.00 1.00 0.00 0.00 64.86 62.82 1aib h ILE 73 Cb 1.33 2.49 0.00 0.00 -0.74 0.00 0.00 36.82 39.90 1aib h ILE 73 CO 0.24 0.71 -0.05 -0.90 0.00 0.00 0.00 178.15 178.15 1aib n ASP 74 N -3.43 0.77 0.00 1.72 5.75 -1.26 -4.35 116.55 115.74 1aib n ASP 74 Ca 0.00 -1.05 0.00 0.00 -0.01 0.00 0.00 54.79 53.73 1aib n ASP 74 Cb 0.77 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.85 1aib n ASP 74 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1aib n GLY 75 N 1.17 0.21 3.61 6.12 0.00 -1.10 -0.94 105.19 114.26 1aib n GLY 75 Ca 0.18 -1.13 -0.42 0.00 0.00 0.00 0.00 46.02 44.66 1aib n GLY 75 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1aib s ILE 76 N 0.00 4.75 0.19 -0.61 1.01 -1.26 -4.17 121.20 121.12 1aib s ILE 76 Ca 0.00 1.22 -0.22 0.00 0.00 0.00 0.00 60.65 61.66 1aib s ILE 76 Cb 0.00 -4.18 0.11 0.00 0.01 0.00 0.00 42.46 38.40 1aib s ILE 76 CO 0.00 -0.29 1.58 -0.65 0.00 0.00 0.00 174.94 175.57 1aib h PRO 77 N 8.14 -0.15 0.00 2.79 0.11 -1.98 0.49 132.00 141.40 1aib h PRO 77 Ca -0.24 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.88 1aib h PRO 77 Cb 1.09 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1aib h PRO 77 CO 0.90 -0.10 0.00 0.39 -0.21 0.00 0.00 178.00 178.98 1aib n GLU 78 N -5.43 0.26 0.01 1.05 4.71 -1.26 -0.77 120.64 119.21 1aib n GLU 78 Ca 0.04 0.26 -0.13 0.00 -0.01 0.00 0.00 57.16 57.33 1aib n GLU 78 Cb 0.36 -1.83 -0.09 0.00 -1.01 0.00 0.00 31.44 28.87 1aib n GLU 78 CO 0.00 0.00 0.00 0.35 0.09 0.00 0.00 177.13 177.57 1aib h PHE 79 N 0.00 -0.02 -0.34 -0.32 3.57 -1.56 -1.70 116.94 116.57 1aib h PHE 79 Ca 0.00 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.54 1aib h PHE 79 Cb 0.68 0.01 -0.07 0.00 2.79 0.00 0.00 35.95 39.36 1aib h PHE 79 CO 0.00 0.29 -0.47 0.78 -2.23 0.00 0.00 178.31 176.68 1aib h GLY 80 N -0.32 -1.16 0.60 2.40 0.00 0.12 -1.80 103.07 102.91 1aib h GLY 80 Ca -0.00 0.74 0.07 0.00 0.00 0.00 0.00 47.33 48.14 1aib h GLY 80 CO 0.00 -0.22 0.37 3.21 0.00 0.00 0.00 176.54 179.90 1aib h ARG 81 N -0.34 0.64 -0.42 4.80 3.08 -1.11 -1.32 114.38 119.71 1aib h ARG 81 Ca 0.06 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 59.99 1aib h ARG 81 Cb 0.50 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 1aib h ARG 81 CO -0.50 0.42 -0.07 0.00 -1.07 0.00 0.00 179.97 178.75 1aib h THR 83 N 0.61 1.08 -0.81 0.00 1.35 -0.38 -0.94 112.91 113.81 1aib h THR 83 Ca 0.11 -1.77 -0.00 0.00 -0.55 0.00 0.00 66.41 64.19 1aib h THR 83 Cb 0.59 2.03 -0.04 0.00 -1.73 0.00 0.00 68.15 69.00 1aib h THR 83 CO 0.04 0.46 0.50 1.56 -0.25 0.00 0.00 175.52 177.82 1aib h GLN 84 N 0.00 1.10 0.00 4.72 4.20 -0.69 0.27 115.11 124.70 1aib h GLN 84 Ca -0.00 -0.10 -0.06 0.00 0.06 0.00 0.00 58.65 58.55 1aib h GLN 84 Cb 1.00 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 28.53 1aib h GLN 84 CO 0.06 0.77 -0.28 0.93 -0.67 0.00 0.00 178.83 179.64 1aib h GLU 85 N 1.12 0.00 -0.03 1.46 5.08 -0.99 -1.36 114.58 119.85 1aib h GLU 85 Ca 0.29 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.47 1aib h GLU 85 Cb -0.05 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1aib h GLU 85 CO -0.06 0.28 -0.79 1.25 -1.00 0.00 0.00 179.01 178.69 1aib h LEU 86 N 0.00 0.33 0.03 1.33 5.85 -0.40 -2.10 115.31 120.35 1aib h LEU 86 Ca -0.00 -0.24 -0.08 0.00 0.84 0.00 0.00 57.88 58.40 1aib h LEU 86 Cb 0.99 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.92 1aib h LEU 86 CO 0.04 0.99 -0.40 -0.07 -0.34 0.00 0.00 178.44 178.66 1aib h LEU 87 N 0.17 0.12 -2.36 2.25 -0.00 -0.78 -3.39 115.31 111.31 1aib h LEU 87 Ca -0.04 -0.92 0.00 0.00 -0.00 0.00 0.00 57.88 56.92 1aib h LEU 87 Cb 1.38 -0.04 0.00 0.00 -0.00 0.00 0.00 40.66 42.00 1aib h LEU 87 CO 0.13 1.17 0.00 0.49 -0.00 0.00 0.00 178.44 180.23 1aib n PHE 88 N -4.45 0.48 -0.42 1.13 3.72 -0.53 -4.73 117.46 112.66 1aib n PHE 88 Ca -0.14 -0.29 0.04 0.00 -0.05 0.00 0.00 57.45 57.01 1aib n PHE 88 Cb 0.60 -0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.11 1aib n PHE 88 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1aib n GLY 89 N 1.24 -2.91 0.33 1.37 0.00 -0.79 -4.26 105.19 100.17 1aib n GLY 89 Ca 0.17 -1.30 -0.06 0.00 0.00 0.00 0.00 46.02 44.82 1aib n GLY 89 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1aib h LYS 90 N -0.33 1.14 -0.64 1.61 3.64 -1.91 -3.15 116.57 116.93 1aib h LYS 90 Ca -0.05 -0.22 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 1aib h LYS 90 Cb 0.38 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1aib h LYS 90 CO 0.02 0.94 0.00 0.41 -2.27 0.00 0.00 179.45 178.55 1aib n GLY 91 N -0.83 2.19 3.66 5.01 0.00 -1.26 -4.96 105.19 109.00 1aib n GLY 91 Ca 0.06 -0.64 -0.46 0.00 0.00 0.00 0.00 46.02 44.98 1aib n GLY 91 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1aib n SER 92 N 0.69 2.85 -0.27 1.61 2.88 -1.19 -4.82 113.62 115.37 1aib n SER 92 Ca 0.19 1.10 0.05 0.00 -1.33 0.00 0.00 58.87 58.88 1aib n SER 92 Cb 0.76 -1.40 0.19 0.00 -0.75 0.00 0.00 64.21 63.01 1aib n SER 92 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1aib h ALA 93 N 5.33 1.12 -1.01 -1.46 0.00 -1.93 0.35 119.26 121.66 1aib h ALA 93 Ca -0.45 0.08 0.26 0.00 0.00 0.00 0.00 54.91 54.80 1aib h ALA 93 Cb 1.27 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.98 1aib h ALA 93 CO 0.84 -0.11 0.67 -0.07 0.00 0.00 0.00 179.25 180.58 1aib h LEU 94 N 0.56 0.38 0.02 0.00 4.07 -1.95 0.29 115.31 118.68 1aib h LEU 94 Ca 0.41 0.06 -0.10 0.00 0.08 0.00 0.00 57.88 58.33 1aib h LEU 94 Cb 0.56 -0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.29 1aib h LEU 94 CO -0.35 0.10 -0.53 0.40 -1.08 0.00 0.00 178.44 176.98 1aib h ILE 95 N 0.35 1.47 -0.59 1.22 2.04 -1.54 -0.56 117.51 119.90 1aib h ILE 95 Ca 0.55 -2.33 -0.03 0.00 1.00 0.00 0.00 64.86 64.06 1aib h ILE 95 Cb 1.49 3.01 -0.03 0.00 -0.74 0.00 0.00 36.82 40.56 1aib h ILE 95 CO -0.23 0.55 0.27 0.78 0.00 0.00 0.00 178.15 179.52 1aib h ASN 96 N -0.87 0.76 0.47 1.72 -0.26 0.94 -0.62 115.58 117.72 1aib h ASN 96 Ca -0.13 -0.08 0.00 0.00 -0.56 0.00 0.00 56.30 55.53 1aib h ASN 96 Cb 1.21 -0.19 0.00 0.00 -1.06 0.00 0.00 38.32 38.28 1aib h ASN 96 CO -0.03 0.66 -0.06 0.47 -1.06 0.00 0.00 177.43 177.41 1aib n ASP 97 N -4.35 0.23 -3.37 5.81 8.00 0.82 -4.95 116.55 118.75 1aib n ASP 97 Ca 0.05 -0.35 -0.17 0.00 0.71 0.00 0.00 54.79 55.03 1aib n ASP 97 Cb 0.14 -0.17 0.09 0.00 -0.02 0.00 0.00 41.12 41.16 1aib n ASP 97 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1aib n LYS 98 N -1.13 -6.36 0.00 -1.24 0.00 -0.24 -4.36 118.16 104.82 1aib n LYS 98 Ca 0.14 0.83 0.10 0.00 0.00 0.00 0.00 58.31 59.39 1aib n LYS 98 Cb 0.26 -5.79 0.02 0.00 0.00 0.00 0.00 35.03 29.52 1aib n LYS 98 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1aib n ARG 99 N -4.03 1.53 -5.04 1.64 1.74 -0.23 -3.68 116.66 108.59 1aib n ARG 99 Ca -0.28 -1.16 -0.31 0.00 -0.77 0.00 0.00 57.85 55.34 1aib n ARG 99 Cb 0.66 -1.42 -0.15 0.00 -1.02 0.00 0.00 32.46 30.54 1aib n ARG 99 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1aib s ALA 100 N -2.18 2.26 -0.03 7.54 0.00 -1.22 -0.90 121.76 127.22 1aib s ALA 100 Ca 0.19 -1.20 0.01 0.00 0.00 0.00 0.00 51.96 50.96 1aib s ALA 100 Cb 0.17 -0.54 0.02 0.00 0.00 0.00 0.00 23.12 22.77 1aib s ALA 100 CO 0.46 0.54 -0.05 1.03 0.00 0.00 0.00 175.76 177.74 1aib s ARG 101 N -1.00 0.70 -0.10 0.00 1.81 -0.07 -4.95 118.95 115.34 1aib s ARG 101 Ca 0.11 -0.12 -0.00 0.00 -1.72 0.00 0.00 55.73 54.00 1aib s ARG 101 Cb -0.10 -0.71 -0.03 0.00 -0.45 0.00 0.00 34.95 33.67 1aib s ARG 101 CO 0.01 -0.02 -0.08 0.99 -0.68 0.00 0.00 175.30 175.52 1aib s THR 102 N 0.62 3.54 -0.12 0.02 2.01 -1.26 -0.61 115.64 119.84 1aib s THR 102 Ca -0.08 -0.51 0.03 0.00 0.31 0.00 0.00 61.69 61.44 1aib s THR 102 Cb -0.11 -2.48 0.00 0.00 0.01 0.00 0.00 72.50 69.92 1aib s THR 102 CO -0.00 0.56 -0.22 0.00 -0.69 0.00 0.00 174.62 174.26 1aib s ALA 103 N -0.26 2.24 0.06 7.40 0.00 -0.41 -4.90 121.76 125.89 1aib s ALA 103 Ca 0.03 -1.03 -0.31 0.00 0.00 0.00 0.00 51.96 50.65 1aib s ALA 103 Cb -0.13 -0.94 -0.07 0.00 0.00 0.00 0.00 23.12 21.99 1aib s ALA 103 CO 0.03 0.11 1.43 -1.14 0.00 0.00 0.00 175.76 176.19 1aib s GLN 104 N 0.60 4.28 0.24 0.00 0.74 -0.11 -1.20 119.66 124.21 1aib s GLN 104 Ca -0.12 2.06 0.07 0.00 0.05 0.00 0.00 55.36 57.43 1aib s GLN 104 Cb -0.17 -3.45 -0.05 0.00 1.10 0.00 0.00 33.01 30.45 1aib s GLN 104 CO 0.03 -0.54 -0.11 0.95 -0.55 0.00 0.00 175.29 175.07 1aib s THR 105 N 1.91 1.72 -0.72 -0.34 -4.23 -0.43 -4.54 115.64 109.01 1aib s THR 105 Ca 0.66 -2.18 -0.24 0.00 -1.18 0.00 0.00 61.69 58.74 1aib s THR 105 Cb -0.35 -2.24 -0.19 0.00 1.34 0.00 0.00 72.50 71.06 1aib s THR 105 CO 0.29 -0.45 1.87 -0.81 -0.54 0.00 0.00 174.62 174.98 1aib n PRO 106 N -0.48 1.17 0.00 3.99 -0.04 -1.26 -3.13 135.00 135.25 1aib n PRO 106 Ca -0.07 -1.80 0.00 0.00 -0.04 0.00 0.00 63.50 61.60 1aib n PRO 106 Cb 0.62 -3.04 0.00 0.00 -0.04 0.00 0.00 33.50 31.04 1aib n PRO 106 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1aib n GLY 107 N 4.93 0.07 0.30 0.55 0.00 -1.21 -3.12 105.19 106.71 1aib n GLY 107 Ca 0.48 -1.92 -0.09 0.00 0.00 0.00 0.00 46.02 44.49 1aib n GLY 107 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1aib h GLY 108 N 0.00 1.12 1.31 -0.02 0.00 -1.73 -2.21 103.07 101.54 1aib h GLY 108 Ca 0.00 -0.84 -0.04 0.00 0.00 0.00 0.00 47.33 46.45 1aib h GLY 108 CO 0.00 0.77 0.21 -0.84 0.00 0.00 0.00 176.54 176.69 1aib h THR 109 N 0.93 1.22 -0.01 4.70 2.02 -1.92 -1.94 112.91 117.92 1aib h THR 109 Ca 0.16 -0.72 -0.11 0.00 0.77 0.00 0.00 66.41 66.52 1aib h THR 109 Cb 0.57 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 1aib h THR 109 CO 0.03 0.28 -0.50 1.23 0.37 0.00 0.00 175.52 176.94 1aib h GLY 110 N 0.98 0.02 2.00 2.16 0.00 -1.46 -1.50 103.07 105.26 1aib h GLY 110 Ca 0.20 -0.02 -0.13 0.00 0.00 0.00 0.00 47.33 47.38 1aib h GLY 110 CO -0.01 0.02 -0.64 0.00 0.00 0.00 0.00 176.54 175.91 1aib h ALA 111 N 1.49 0.84 0.34 3.60 0.00 -0.73 -1.39 119.26 123.40 1aib h ALA 111 Ca -0.00 -0.58 -0.02 0.00 0.00 0.00 0.00 54.91 54.31 1aib h ALA 111 Cb 0.88 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1aib h ALA 111 CO 0.07 0.80 -0.16 1.25 0.00 0.00 0.00 179.25 181.20 1aib h LEU 112 N 0.00 -0.39 -0.14 0.00 5.85 -1.14 -1.03 115.31 118.46 1aib h LEU 112 Ca -0.01 -0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.61 1aib h LEU 112 Cb 1.21 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 42.29 1aib h LEU 112 CO 0.08 0.06 -0.12 -0.09 -0.34 0.00 0.00 178.44 178.04 1aib h ARG 113 N -0.98 -0.13 -0.87 1.25 9.65 -1.37 0.91 114.38 122.84 1aib h ARG 113 Ca -0.05 0.01 0.12 0.00 -1.10 0.00 0.00 59.98 58.97 1aib h ARG 113 Cb 0.51 0.03 -0.07 0.00 -1.39 0.00 0.00 29.97 29.05 1aib h ARG 113 CO 0.08 -0.09 0.56 0.28 2.80 0.00 0.00 179.97 183.60 1aib h VAL 114 N -0.14 0.89 -0.02 0.20 2.07 -1.26 -0.36 116.25 117.62 1aib h VAL 114 Ca 0.09 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.36 1aib h VAL 114 Cb 0.27 0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.13 1aib h VAL 114 CO -0.23 0.13 0.01 0.00 0.02 0.00 0.00 177.57 177.50 1aib h ALA 115 N 1.59 0.03 0.24 1.67 0.00 -0.44 -2.59 119.26 119.76 1aib h ALA 115 Ca 0.42 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1aib h ALA 115 Cb 0.60 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1aib h ALA 115 CO -0.19 -0.36 -0.27 0.00 0.00 0.00 0.00 179.25 178.44 1aib h ALA 116 N 0.79 -0.54 -0.61 0.00 0.00 0.60 -0.30 119.26 119.20 1aib h ALA 116 Ca 0.01 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1aib h ALA 116 Cb 0.22 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 1aib h ALA 116 CO -0.00 -0.84 0.21 -0.44 0.00 0.00 0.00 179.25 178.19 1aib h ASP 117 N -0.55 0.84 -0.52 0.00 3.32 -1.16 0.92 116.42 119.26 1aib h ASP 117 Ca -0.00 -0.13 -0.04 0.00 0.02 0.00 0.00 57.03 56.88 1aib h ASP 117 Cb 0.52 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 1aib h ASP 117 CO -0.07 0.78 0.17 0.15 -1.72 0.00 0.00 179.24 178.54 1aib h PHE 118 N 0.89 0.84 0.46 4.55 3.57 -1.02 -1.11 116.94 125.13 1aib h PHE 118 Ca 0.21 -0.08 -0.02 0.00 3.53 0.00 0.00 57.97 61.60 1aib h PHE 118 Cb 0.22 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.72 1aib h PHE 118 CO 0.02 0.72 -0.22 -0.07 -2.23 0.00 0.00 178.31 176.52 1aib h LEU 119 N 0.72 -0.52 -1.18 0.59 3.38 -0.73 -2.36 115.31 115.20 1aib h LEU 119 Ca 0.17 -0.08 0.25 0.00 0.09 0.00 0.00 57.88 58.31 1aib h LEU 119 Cb 0.27 0.13 -0.11 0.00 0.09 0.00 0.00 40.66 41.05 1aib h LEU 119 CO -0.01 -0.12 0.63 0.00 0.09 0.00 0.00 178.44 179.04 1aib h ALA 120 N -0.75 2.00 -0.01 1.53 0.00 -0.73 -1.87 119.26 119.43 1aib h ALA 120 Ca -0.06 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1aib h ALA 120 Cb 0.57 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1aib h ALA 120 CO 0.10 -0.44 -0.59 1.63 0.00 0.00 0.00 179.25 179.95 1aib n LYS 121 N -4.75 1.06 0.00 0.00 4.76 -0.43 -4.49 118.16 114.32 1aib n LYS 121 Ca 0.26 -0.66 0.00 0.00 -2.87 0.00 0.00 58.31 55.04 1aib n LYS 121 Cb 0.80 -1.43 0.00 0.00 -1.84 0.00 0.00 35.03 32.56 1aib n LYS 121 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1aib n ASN 122 N -0.48 0.75 -3.90 4.39 3.02 -0.82 -5.07 115.26 113.15 1aib n ASN 122 Ca 0.07 -1.29 -0.12 0.00 -0.03 0.00 0.00 54.58 53.22 1aib n ASN 122 Cb 0.40 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.50 1aib n ASN 122 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1aib s THR 123 N -0.29 0.00 -2.15 3.41 2.01 -0.77 -4.99 115.64 112.87 1aib s THR 123 Ca 0.00 -1.67 0.16 0.00 0.31 0.00 0.00 61.69 60.50 1aib s THR 123 Cb 0.00 -2.40 0.39 0.00 0.01 0.00 0.00 72.50 70.50 1aib s THR 123 CO 0.00 0.00 1.44 -1.54 -0.69 0.00 0.00 174.62 173.83 1aib n SER 124 N -0.58 1.51 -4.75 3.53 3.41 -1.26 -4.77 113.62 110.70 1aib n SER 124 Ca 0.00 -1.79 -0.41 0.00 -0.26 0.00 0.00 58.87 56.41 1aib n SER 124 Cb 0.63 -0.13 -0.03 0.00 -0.26 0.00 0.00 64.21 64.41 1aib n SER 124 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1aib s VAL 125 N -1.73 3.28 0.00 -3.33 1.01 -1.26 -4.87 120.40 113.50 1aib s VAL 125 Ca 0.27 1.20 0.00 0.00 0.00 0.00 0.00 61.98 63.46 1aib s VAL 125 Cb 0.14 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.76 1aib s VAL 125 CO 0.21 0.25 0.07 1.17 0.00 0.00 0.00 175.10 176.81 1aib n LYS 126 N 1.58 2.73 -3.69 2.72 0.00 -1.26 -4.76 118.16 115.49 1aib n LYS 126 Ca 0.01 -0.07 -0.12 0.00 0.00 0.00 0.00 58.31 58.13 1aib n LYS 126 Cb 0.44 -0.41 -0.09 0.00 0.00 0.00 0.00 35.03 34.97 1aib n LYS 126 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 1aib s ARG 129 N -0.41 0.61 -0.10 1.64 3.52 -1.26 -0.46 118.95 122.49 1aib s ARG 129 Ca 0.00 0.80 0.01 0.00 -0.13 0.00 0.00 55.73 56.41 1aib s ARG 129 Cb 0.00 0.25 0.02 0.00 -1.56 0.00 0.00 34.95 33.66 1aib s ARG 129 CO 0.00 -0.09 -0.09 0.54 -0.81 0.00 0.00 175.30 174.84 1aib s VAL 133 N 0.57 1.06 -0.02 7.11 0.11 0.23 -1.30 120.40 128.16 1aib s VAL 133 Ca -0.02 -0.35 -0.26 0.00 -2.93 0.00 0.00 61.98 58.41 1aib s VAL 133 Cb -0.05 -1.03 -0.04 0.00 -1.53 0.00 0.00 36.38 33.73 1aib s VAL 133 CO -0.03 0.36 0.82 0.26 -3.33 0.00 0.00 175.10 173.18 1aib s TRP 134 N 1.32 3.65 0.12 1.54 0.52 0.01 -1.00 118.94 125.08 1aib s TRP 134 Ca -0.02 1.47 0.05 0.00 0.02 0.00 0.00 56.10 57.61 1aib s TRP 134 Cb -0.14 -2.93 -0.04 0.00 -1.15 0.00 0.00 33.47 29.22 1aib s TRP 134 CO -0.04 0.09 -0.12 0.14 0.02 0.00 0.00 176.95 177.04 1aib s VAL 135 N 0.68 1.16 0.91 4.03 -7.23 0.93 -0.84 120.40 120.04 1aib s VAL 135 Ca 0.43 -1.72 -0.12 0.00 -1.81 0.00 0.00 61.98 58.76 1aib s VAL 135 Cb -0.20 -1.49 0.14 0.00 0.56 0.00 0.00 36.38 35.39 1aib s VAL 135 CO 0.23 -0.51 1.09 -0.94 -0.31 0.00 0.00 175.10 174.67 1aib s SER 136 N -2.53 3.39 -0.24 4.85 1.04 -1.26 -2.15 113.70 116.79 1aib s SER 136 Ca 0.08 1.41 0.01 0.00 0.48 0.00 0.00 55.95 57.93 1aib s SER 136 Cb -0.03 -2.09 0.04 0.00 0.10 0.00 0.00 66.02 64.04 1aib s SER 136 CO 0.02 -2.68 -0.11 0.21 0.98 0.00 0.00 173.24 171.65 1aib s ASN 137 N -3.47 4.18 0.71 7.02 3.84 -0.37 -3.64 114.94 123.21 1aib s ASN 137 Ca 0.64 -1.13 -0.01 0.00 0.21 0.00 0.00 52.86 52.57 1aib s ASN 137 Cb -0.18 -1.57 0.12 0.00 -0.55 0.00 0.00 41.25 39.07 1aib s ASN 137 CO 0.57 -0.14 0.98 -2.16 -2.79 0.00 0.00 177.10 173.56 1aib s PRO 138 N 1.20 1.74 0.29 0.43 0.04 -1.26 -3.51 135.00 133.94 1aib s PRO 138 Ca -0.04 -1.05 -0.02 0.00 0.04 0.00 0.00 61.00 59.93 1aib s PRO 138 Cb -0.18 -2.33 0.01 0.00 0.04 0.00 0.00 34.50 32.04 1aib s PRO 138 CO -0.06 -1.40 0.43 0.45 0.04 0.00 0.00 177.00 176.45 1aib n SER 139 N -2.81 -1.20 -4.65 6.66 2.88 -1.24 -4.57 113.62 108.69 1aib n SER 139 Ca 0.14 -2.55 -0.42 0.00 -1.33 0.00 0.00 58.87 54.71 1aib n SER 139 Cb 0.60 2.20 -0.03 0.00 -0.75 0.00 0.00 64.21 66.24 1aib n SER 139 CO 0.00 0.00 0.00 0.86 -1.23 0.00 0.00 175.04 174.67 1aib s TRP 140 N -3.29 1.63 0.40 0.66 -0.00 -1.15 -4.49 118.94 112.70 1aib s TRP 140 Ca 0.23 -0.01 0.20 0.00 -0.00 0.00 0.00 56.10 56.52 1aib s TRP 140 Cb -0.01 -4.06 1.15 0.00 -0.00 0.00 0.00 33.47 30.55 1aib s TRP 140 CO 0.17 -4.49 1.75 -1.00 -0.00 0.00 0.00 176.95 173.38 1aib h PRO 141 N 10.60 0.34 0.00 5.86 0.13 -1.99 -1.58 132.00 145.36 1aib h PRO 141 Ca -0.43 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1aib h PRO 141 Cb 1.21 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1aib h PRO 141 CO 0.95 0.22 0.00 -1.71 -0.23 0.00 0.00 178.00 177.24 1aib n ASN 142 N -4.63 0.00 -0.03 1.44 5.15 -1.26 -3.16 115.26 112.77 1aib n ASN 142 Ca 0.27 -0.72 -0.14 0.00 -0.60 0.00 0.00 54.58 53.39 1aib n ASN 142 Cb 0.95 0.00 -0.11 0.00 -0.53 0.00 0.00 39.78 40.09 1aib n ASN 142 CO 0.00 0.00 0.00 0.45 1.40 0.00 0.00 177.26 179.11 1aib h HIS 143 N 0.00 0.14 -0.82 1.20 3.86 -1.67 -2.70 115.15 115.16 1aib h HIS 143 Ca 0.00 -0.06 0.15 0.00 -1.16 0.00 0.00 60.37 59.29 1aib h HIS 143 Cb 0.00 -0.02 -0.09 0.00 1.06 0.00 0.00 27.41 28.35 1aib h HIS 143 CO 0.00 0.77 0.39 -0.22 0.86 0.00 0.00 177.93 179.73 1aib h LYS 144 N -0.52 0.55 -0.18 2.45 3.64 -1.76 -2.25 116.57 118.49 1aib h LYS 144 Ca -0.01 -0.03 -0.22 0.00 -1.27 0.00 0.00 60.65 59.12 1aib h LYS 144 Cb 0.78 -0.12 0.01 0.00 -0.41 0.00 0.00 32.23 32.49 1aib h LYS 144 CO 0.02 0.36 -0.74 0.77 -2.27 0.00 0.00 179.45 177.60 1aib h SER 145 N 0.56 0.96 -0.41 4.20 0.02 -1.71 0.25 113.55 117.43 1aib h SER 145 Ca 0.45 -0.61 -0.10 0.00 -0.84 0.00 0.00 61.79 60.68 1aib h SER 145 Cb 0.65 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.89 1aib h SER 145 CO -0.37 1.41 -0.12 -0.37 -1.14 0.00 0.00 176.83 176.24 1aib h VAL 146 N 0.57 1.26 -0.36 2.27 -1.51 -1.07 -0.04 116.25 117.37 1aib h VAL 146 Ca -0.04 -1.22 -0.14 0.00 -1.23 0.00 0.00 66.70 64.07 1aib h VAL 146 Cb 1.36 1.03 -0.01 0.00 -2.13 0.00 0.00 31.29 31.54 1aib h VAL 146 CO 0.15 0.42 -0.31 -0.26 -1.23 0.00 0.00 177.57 176.34 1aib h PHE 147 N 0.78 1.02 -0.10 5.19 0.04 -1.48 -3.11 116.94 119.28 1aib h PHE 147 Ca 0.13 -0.29 -0.07 0.00 2.80 0.00 0.00 57.97 60.53 1aib h PHE 147 Cb 0.63 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.55 1aib h PHE 147 CO 0.04 1.09 -0.26 -0.91 -0.60 0.00 0.00 178.31 177.67 1aib h ASN 148 N 0.65 0.17 0.72 2.17 2.35 -0.15 -1.68 115.58 119.81 1aib h ASN 148 Ca 0.06 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1aib h ASN 148 Cb 0.89 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.22 1aib h ASN 148 CO 0.08 0.43 0.00 -1.20 -1.65 0.00 0.00 177.43 175.09 1aib n SER 149 N -4.17 0.10 -0.57 5.81 7.64 -0.06 -1.35 113.62 121.02 1aib n SER 149 Ca -0.01 0.52 0.12 0.00 1.01 0.00 0.00 58.87 60.50 1aib n SER 149 Cb 0.35 -0.54 0.08 0.00 -1.01 0.00 0.00 64.21 63.09 1aib n SER 149 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1aib n ALA 150 N -1.54 3.23 -1.93 -0.43 0.00 -0.65 -4.99 120.51 114.21 1aib n ALA 150 Ca 0.05 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.87 1aib n ALA 150 Cb 0.24 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 18.84 1aib n ALA 150 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aib n GLY 151 N 1.39 0.65 3.34 0.00 0.00 -0.46 -4.86 105.19 105.25 1aib n GLY 151 Ca 0.11 -0.49 -0.28 0.00 0.00 0.00 0.00 46.02 45.36 1aib n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1aib s LEU 152 N -1.41 2.23 -0.11 0.99 1.02 -1.12 -5.00 118.68 115.28 1aib s LEU 152 Ca 0.00 -0.64 -0.23 0.00 0.02 0.00 0.00 54.13 53.28 1aib s LEU 152 Cb 0.00 -1.16 -0.03 0.00 0.02 0.00 0.00 46.19 45.02 1aib s LEU 152 CO 0.00 0.19 0.70 -0.70 0.02 0.00 0.00 176.35 176.56 1aib s GLU 154 N -1.59 4.36 -0.15 1.70 2.12 0.39 -4.30 118.70 121.23 1aib s GLU 154 Ca 0.11 0.84 -0.03 0.00 0.36 0.00 0.00 54.97 56.24 1aib s GLU 154 Cb -0.10 -3.50 -0.03 0.00 0.26 0.00 0.00 34.13 30.77 1aib s GLU 154 CO 0.04 -0.06 -0.04 0.14 -0.54 0.00 0.00 175.26 174.79 1aib s VAL 155 N 1.25 3.83 0.12 3.70 -7.23 -1.26 -0.60 120.40 120.21 1aib s VAL 155 Ca 0.35 -0.38 0.07 0.00 -1.81 0.00 0.00 61.98 60.22 1aib s VAL 155 Cb -0.17 -2.67 -0.04 0.00 0.56 0.00 0.00 36.38 34.06 1aib s VAL 155 CO 0.15 0.50 -0.10 -0.13 -0.31 0.00 0.00 175.10 175.21 1aib s ARG 156 N 0.34 2.10 -0.15 4.82 1.81 -0.17 -4.96 118.95 122.73 1aib s ARG 156 Ca -0.05 -1.07 -0.03 0.00 -1.72 0.00 0.00 55.73 52.87 1aib s ARG 156 Cb -0.14 -2.28 -0.03 0.00 -0.45 0.00 0.00 34.95 32.06 1aib s ARG 156 CO 0.03 0.50 -0.05 -1.21 -0.68 0.00 0.00 175.30 173.89 1aib s GLU 157 N -2.30 3.63 0.33 3.54 2.02 -1.26 -0.05 118.70 124.62 1aib s GLU 157 Ca 0.22 -0.54 0.05 0.00 0.02 0.00 0.00 54.97 54.72 1aib s GLU 157 Cb -0.11 -2.88 -0.01 0.00 0.10 0.00 0.00 34.13 31.23 1aib s GLU 157 CO 0.14 0.23 0.47 1.52 0.02 0.00 0.00 175.26 177.65 1aib s TYR 158 N 0.37 3.22 0.70 1.61 1.13 -0.92 -4.89 117.35 118.57 1aib s TYR 158 Ca -0.05 -0.09 -0.11 0.00 -1.41 0.00 0.00 57.07 55.40 1aib s TYR 158 Cb -0.14 -1.93 0.01 0.00 -1.10 0.00 0.00 41.96 38.79 1aib s TYR 158 CO 0.03 0.05 1.08 0.00 -2.51 0.00 0.00 175.55 174.21 1aib s ALA 159 N -2.18 2.83 0.09 9.51 0.00 -1.26 -1.23 121.76 129.51 1aib s ALA 159 Ca 0.43 -0.25 0.00 0.00 0.00 0.00 0.00 51.96 52.13 1aib s ALA 159 Cb -0.09 -3.06 0.00 0.00 0.00 0.00 0.00 23.12 19.97 1aib s ALA 159 CO 0.32 -1.14 0.00 0.98 0.00 0.00 0.00 175.76 175.91 1aib n TYR 160 N -3.03 -2.90 -4.34 0.00 9.36 -1.23 -4.05 117.16 110.98 1aib n TYR 160 Ca 0.07 0.31 -0.32 0.00 3.32 0.00 0.00 57.90 61.28 1aib n TYR 160 Cb 0.56 1.18 -0.09 0.00 -0.63 0.00 0.00 39.34 40.36 1aib n TYR 160 CO 0.00 0.00 0.00 -0.47 0.22 0.00 0.00 176.86 176.61 1aib s TYR 161 N -2.00 2.99 -0.47 2.98 5.04 -1.24 -0.90 117.35 123.75 1aib s TYR 161 Ca 0.00 0.02 -0.11 0.00 -2.44 0.00 0.00 57.07 54.54 1aib s TYR 161 Cb 0.00 -1.63 0.10 0.00 0.35 0.00 0.00 41.96 40.78 1aib s TYR 161 CO 0.00 0.43 0.36 0.34 -1.34 0.00 0.00 175.55 175.34 1aib s ASP 162 N -1.57 5.84 0.57 4.32 -1.08 -0.08 -4.80 116.67 119.87 1aib s ASP 162 Ca 0.19 -1.70 0.33 0.00 -0.52 0.00 0.00 52.55 50.85 1aib s ASP 162 Cb -0.11 -2.07 1.71 0.00 -1.46 0.00 0.00 42.92 40.99 1aib s ASP 162 CO 0.10 -0.68 2.15 0.00 0.52 0.00 0.00 175.17 177.25 1aib h ALA 163 N 8.57 1.17 0.11 3.66 0.00 -1.99 0.12 119.26 130.90 1aib h ALA 163 Ca -0.24 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1aib h ALA 163 Cb 1.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1aib h ALA 163 CO 0.87 0.07 -0.05 0.93 0.00 0.00 0.00 179.25 181.07 1aib h GLU 164 N 0.00 -0.14 -0.02 0.00 5.08 -1.98 -3.39 114.58 114.13 1aib h GLU 164 Ca -0.00 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1aib h GLU 164 Cb 0.26 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1aib h GLU 164 CO 0.01 0.36 -0.23 0.09 -1.00 0.00 0.00 179.01 178.24 1aib n ASN 165 N -4.85 2.37 -3.57 1.42 3.02 -1.10 -5.01 115.26 107.54 1aib n ASN 165 Ca -0.08 -1.69 -0.23 0.00 -0.03 0.00 0.00 54.58 52.56 1aib n ASN 165 Cb 0.28 0.23 0.02 0.00 -0.61 0.00 0.00 39.78 39.70 1aib n ASN 165 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1aib n HIS 166 N 0.55 -2.19 -3.79 3.10 8.25 0.39 -5.00 115.22 116.53 1aib n HIS 166 Ca 0.12 0.70 -0.10 0.00 -0.26 0.00 0.00 57.72 58.18 1aib n HIS 166 Cb 0.51 -3.43 0.00 0.00 1.12 0.00 0.00 29.99 28.20 1aib n HIS 166 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1aib n THR 167 N -3.26 0.00 -2.92 1.59 -2.24 -1.23 -4.97 114.28 101.24 1aib n THR 167 Ca -0.13 -1.11 -0.43 0.00 -2.27 0.00 0.00 64.05 60.11 1aib n THR 167 Cb 0.60 0.87 -0.05 0.00 -2.10 0.00 0.00 70.33 69.65 1aib n THR 167 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1aib s LEU 168 N 0.00 4.34 -0.35 3.22 0.20 -1.26 -0.90 118.68 123.93 1aib s LEU 168 Ca 0.18 -0.52 -0.13 0.00 0.69 0.00 0.00 54.13 54.36 1aib s LEU 168 Cb -0.03 -2.72 -0.01 0.00 -0.43 0.00 0.00 46.19 43.01 1aib s LEU 168 CO 0.13 -1.15 0.23 1.51 -0.29 0.00 0.00 176.35 176.79 1aib s ASP 169 N 2.83 5.98 0.16 3.68 -4.77 -0.08 -4.86 116.67 119.60 1aib s ASP 169 Ca 0.26 -0.53 -0.12 0.00 -3.30 0.00 0.00 52.55 48.86 1aib s ASP 169 Cb -0.14 -2.12 0.03 0.00 -1.09 0.00 0.00 42.92 39.60 1aib s ASP 169 CO 0.17 -0.27 1.61 0.15 0.70 0.00 0.00 175.17 177.54 1aib h PHE 170 N 8.49 0.99 0.57 2.11 3.57 -1.95 -2.21 116.94 128.51 1aib h PHE 170 Ca -0.31 -0.17 -0.02 0.00 3.53 0.00 0.00 57.97 61.01 1aib h PHE 170 Cb 1.15 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.61 1aib h PHE 170 CO 0.64 0.91 -0.50 -0.44 -2.23 0.00 0.00 178.31 176.69 1aib h ASP 171 N 0.78 -1.35 0.18 0.41 3.32 -1.98 0.13 116.42 117.90 1aib h ASP 171 Ca 0.15 0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.29 1aib h ASP 171 Cb 0.50 0.43 -0.00 0.00 0.22 0.00 0.00 39.33 40.49 1aib h ASP 171 CO 0.02 -0.69 -0.07 0.00 -1.72 0.00 0.00 179.24 176.79 1aib h ALA 172 N -0.98 1.43 -0.29 3.45 0.00 -1.95 -0.98 119.26 119.95 1aib h ALA 172 Ca -0.07 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.62 1aib h ALA 172 Cb 0.89 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 1aib h ALA 172 CO -0.02 0.08 -0.43 1.25 0.00 0.00 0.00 179.25 180.13 1aib h LEU 173 N 0.00 0.88 -0.22 0.00 5.85 -0.67 -2.57 115.31 118.58 1aib h LEU 173 Ca -0.00 -0.51 -0.17 0.00 0.84 0.00 0.00 57.88 58.04 1aib h LEU 173 Cb 0.17 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 1aib h LEU 173 CO 0.01 1.22 -0.79 -0.29 -0.34 0.00 0.00 178.44 178.24 1aib h ILE 174 N 0.56 1.46 -0.19 4.05 2.10 0.50 -2.32 117.51 123.66 1aib h ILE 174 Ca 0.03 -2.82 -0.21 0.00 1.08 0.00 0.00 64.86 62.93 1aib h ILE 174 Cb 1.03 2.57 0.01 0.00 -1.09 0.00 0.00 36.82 39.34 1aib h ILE 174 CO 0.10 0.78 -0.72 0.78 -1.08 0.00 0.00 178.15 178.01 1aib h ASN 175 N 0.00 0.95 0.84 2.19 2.35 -1.36 -2.78 115.58 117.78 1aib h ASN 175 Ca -0.01 -0.59 -0.09 0.00 -0.55 0.00 0.00 56.30 55.07 1aib h ASN 175 Cb 1.51 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 39.59 1aib h ASN 175 CO 0.10 1.39 -0.41 0.77 -1.65 0.00 0.00 177.43 177.64 1aib h SER 176 N 0.58 0.00 -0.18 5.81 4.64 -1.30 -1.63 113.55 121.47 1aib h SER 176 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1aib h SER 176 Cb 1.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 1aib h SER 176 CO 0.15 0.41 0.00 0.18 -0.87 0.00 0.00 176.83 176.70 1aib n LEU 177 N -3.55 1.95 -4.93 5.97 4.77 -0.89 -4.71 117.00 115.62 1aib n LEU 177 Ca -0.00 -0.98 -0.25 0.00 -0.03 0.00 0.00 56.01 54.74 1aib n LEU 177 Cb 0.53 -0.42 -0.01 0.00 -2.33 0.00 0.00 43.42 41.19 1aib n LEU 177 CO 0.37 0.33 0.25 0.20 -1.33 0.00 0.00 177.39 177.22 1aib s ASN 178 N -0.48 6.31 0.93 -1.43 0.01 -0.62 -4.45 114.94 115.21 1aib s ASN 178 Ca 0.15 0.62 0.00 0.00 -0.71 0.00 0.00 52.86 52.92 1aib s ASN 178 Cb 0.10 -2.11 0.00 0.00 0.41 0.00 0.00 41.25 39.66 1aib s ASN 178 CO 0.06 -0.36 0.00 1.21 -1.51 0.00 0.00 177.10 176.50 1aib n GLU 179 N -1.80 0.00 -3.69 -0.60 4.07 -1.26 -4.85 120.64 112.51 1aib n GLU 179 Ca -0.03 0.00 -0.25 0.00 -0.06 0.00 0.00 57.16 56.82 1aib n GLU 179 Cb 0.56 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.94 1aib n GLU 179 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1aib n ALA 180 N 7.80 -2.40 -0.33 4.31 0.00 -1.26 -4.74 120.51 123.89 1aib n ALA 180 Ca 0.00 -0.30 -0.10 0.00 0.00 0.00 0.00 53.44 53.03 1aib n ALA 180 Cb 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.46 1aib n ALA 180 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1aib n GLN 181 N -2.83 0.00 -1.85 0.00 1.13 -1.26 -4.77 117.38 107.80 1aib n GLN 181 Ca -0.21 0.00 -0.41 0.00 -1.94 0.00 0.00 57.00 54.44 1aib n GLN 181 Cb 0.52 -0.27 -0.01 0.00 0.11 0.00 0.00 30.24 30.59 1aib n GLN 181 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1aib s ALA 182 N -0.55 3.59 0.00 -1.58 0.00 -1.26 -1.95 121.76 120.02 1aib s ALA 182 Ca 0.15 1.52 0.00 0.00 0.00 0.00 0.00 51.96 53.63 1aib s ALA 182 Cb -0.12 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.40 1aib s ALA 182 CO 0.19 -0.98 0.00 0.41 0.00 0.00 0.00 175.76 175.38 1aib n GLY 183 N 0.85 0.60 3.79 0.00 0.00 -0.19 -5.00 105.19 105.24 1aib n GLY 183 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 1aib n GLY 183 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1aib s ASP 184 N -2.14 7.20 -0.12 1.61 1.01 -0.82 -4.46 116.67 118.95 1aib s ASP 184 Ca 0.00 1.80 -0.21 0.00 0.71 0.00 0.00 52.55 54.85 1aib s ASP 184 Cb 0.00 -2.57 -0.04 0.00 1.01 0.00 0.00 42.92 41.33 1aib s ASP 184 CO 0.00 -0.17 0.61 -0.69 0.21 0.00 0.00 175.17 175.14 1aib s VAL 185 N -1.78 5.08 -0.18 -1.27 1.01 -0.42 -0.88 120.40 121.97 1aib s VAL 185 Ca 0.54 1.23 -0.05 0.00 0.00 0.00 0.00 61.98 63.70 1aib s VAL 185 Cb -0.16 -3.95 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 1aib s VAL 185 CO 0.21 0.24 -0.01 -0.69 0.00 0.00 0.00 175.10 174.84 1aib s VAL 186 N 1.04 4.04 -0.25 2.92 1.01 0.62 -0.81 120.40 128.96 1aib s VAL 186 Ca 0.32 -0.30 -0.19 0.00 0.00 0.00 0.00 61.98 61.81 1aib s VAL 186 Cb -0.16 -2.80 -0.02 0.00 0.00 0.00 0.00 36.38 33.39 1aib s VAL 186 CO 0.14 0.46 0.57 -0.22 0.00 0.00 0.00 175.10 176.05 1aib s LEU 187 N 0.59 4.07 -0.15 3.92 0.20 -0.02 0.56 118.68 127.85 1aib s LEU 187 Ca -0.01 0.63 -0.03 0.00 0.69 0.00 0.00 54.13 55.40 1aib s LEU 187 Cb -0.14 -2.76 -0.03 0.00 -0.43 0.00 0.00 46.19 42.83 1aib s LEU 187 CO 0.02 -0.32 -0.04 -0.36 -0.29 0.00 0.00 176.35 175.36 1aib s PHE 188 N 2.33 3.01 -0.25 5.38 0.08 -0.61 -4.53 117.98 123.40 1aib s PHE 188 Ca 0.24 -0.29 -0.29 0.00 0.12 0.00 0.00 56.93 56.71 1aib s PHE 188 Cb -0.16 -1.93 0.00 0.00 -0.57 0.00 0.00 43.02 40.36 1aib s PHE 188 CO 0.09 -0.01 1.20 -1.01 -0.10 0.00 0.00 175.22 175.38 1aib s HIS 189 N 0.26 2.95 0.41 0.36 3.76 -1.26 -0.50 115.29 121.28 1aib s HIS 189 Ca -0.03 1.09 0.08 0.00 -0.15 0.00 0.00 55.06 56.05 1aib s HIS 189 Cb -0.14 -3.62 0.89 0.00 1.11 0.00 0.00 32.58 30.82 1aib s HIS 189 CO 0.03 -1.30 2.04 0.78 -0.85 0.00 0.00 174.74 175.45 1aib h GLY 190 N 10.08 0.59 -3.45 -2.22 0.00 -1.59 -3.46 103.07 103.03 1aib h GLY 190 Ca -0.24 -0.21 0.09 0.00 0.00 0.00 0.00 47.33 46.97 1aib h GLY 190 CO 1.00 0.19 0.47 0.00 0.00 0.00 0.00 176.54 178.20 1aib n HIS 193 N -3.66 1.67 -3.11 0.00 -0.00 -1.26 -4.83 115.22 104.03 1aib n HIS 193 Ca -0.15 0.37 -0.40 0.00 0.46 0.00 0.00 57.72 58.00 1aib n HIS 193 Cb 0.64 -2.50 -0.06 0.00 -0.12 0.00 0.00 29.99 27.95 1aib n HIS 193 CO 0.00 0.00 0.00 1.21 0.46 0.00 0.00 176.34 178.01 1aib s ASN 194 N 6.27 6.69 0.00 0.26 2.47 -1.26 -0.04 114.94 129.34 1aib s ASN 194 Ca 1.08 0.84 0.24 0.00 0.42 0.00 0.00 52.86 55.44 1aib s ASN 194 Cb -0.97 -2.35 0.25 0.00 -1.45 0.00 0.00 41.25 36.73 1aib s ASN 194 CO 0.54 -0.28 1.27 -0.81 -3.72 0.00 0.00 177.10 174.11 1aib n PRO 195 N 5.07 1.69 0.12 0.43 -0.04 -1.26 -2.92 135.00 138.08 1aib n PRO 195 Ca -0.01 -1.34 0.11 0.00 -0.04 0.00 0.00 63.50 62.22 1aib n PRO 195 Cb 0.50 -1.47 0.02 0.00 -0.04 0.00 0.00 33.50 32.50 1aib n PRO 195 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1aib h THR 196 N 3.26 0.02 0.00 0.52 1.35 -1.69 -3.31 112.91 113.06 1aib h THR 196 Ca 0.00 -1.03 0.00 0.00 -0.55 0.00 0.00 66.41 64.83 1aib h THR 196 Cb 0.81 1.58 0.00 0.00 -1.73 0.00 0.00 68.15 68.81 1aib h THR 196 CO 0.00 0.01 0.00 0.61 -0.25 0.00 0.00 175.52 175.89 1aib n GLY 197 N 1.18 0.32 3.72 5.82 0.00 0.94 -4.37 105.19 112.79 1aib n GLY 197 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1aib n GLY 197 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1aib s ILE 198 N -1.87 5.10 0.07 -0.61 1.01 -1.26 -0.58 121.20 123.05 1aib s ILE 198 Ca 0.00 1.24 0.06 0.00 0.00 0.00 0.00 60.65 61.95 1aib s ILE 198 Cb 0.00 -3.95 -0.03 0.00 0.01 0.00 0.00 42.46 38.50 1aib s ILE 198 CO 0.00 0.29 -0.18 -1.81 0.00 0.00 0.00 174.94 173.24 1aib s ASP 199 N 0.68 2.12 0.54 3.58 1.01 -1.26 -4.46 116.67 118.89 1aib s ASP 199 Ca 0.33 -0.57 -0.22 0.00 0.71 0.00 0.00 52.55 52.80 1aib s ASP 199 Cb -0.17 -0.13 -0.05 0.00 1.01 0.00 0.00 42.92 43.58 1aib s ASP 199 CO 0.15 0.05 1.34 -2.65 0.21 0.00 0.00 175.17 174.27 1aib n PRO 200 N 1.53 1.68 -1.50 8.23 -0.02 -1.26 -5.00 135.00 138.65 1aib n PRO 200 Ca -0.19 0.62 -0.29 0.00 -2.02 0.00 0.00 63.50 61.62 1aib n PRO 200 Cb 0.54 -2.56 0.16 0.00 -0.02 0.00 0.00 33.50 31.62 1aib n PRO 200 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1aib s THR 201 N -1.29 1.95 -0.65 3.45 -4.23 -1.26 -4.74 115.64 108.87 1aib s THR 201 Ca 0.71 0.00 0.22 0.00 -1.18 0.00 0.00 61.69 61.44 1aib s THR 201 Cb -0.42 -2.73 0.22 0.00 1.34 0.00 0.00 72.50 70.91 1aib s THR 201 CO 0.49 0.00 1.66 -0.11 -0.54 0.00 0.00 174.62 176.13 1aib n LEU 202 N -3.91 0.50 0.03 4.79 -0.00 -1.26 -0.27 117.00 116.88 1aib n LEU 202 Ca 0.08 0.61 -0.20 0.00 -0.00 0.00 0.00 56.01 56.51 1aib n LEU 202 Cb 0.59 -0.53 -0.14 0.00 -0.00 0.00 0.00 43.42 43.33 1aib n LEU 202 CO 0.54 -0.44 0.04 -0.33 -0.00 0.00 0.00 177.39 177.20 1aib h GLU 203 N 0.00 0.27 -0.99 1.96 5.08 -1.99 -3.01 114.58 115.89 1aib h GLU 203 Ca 0.00 -0.46 0.02 0.00 -1.00 0.00 0.00 59.36 57.92 1aib h GLU 203 Cb 0.37 0.17 -0.05 0.00 0.50 0.00 0.00 28.75 29.74 1aib h GLU 203 CO 0.00 1.22 0.66 1.96 -1.00 0.00 0.00 179.01 181.84 1aib h GLN 204 N -0.43 1.28 -0.50 2.33 4.20 -1.80 -1.44 115.11 118.74 1aib h GLN 204 Ca -0.14 -0.08 -0.11 0.00 0.06 0.00 0.00 58.65 58.38 1aib h GLN 204 Cb 1.59 -0.29 -0.02 0.00 0.30 0.00 0.00 27.48 29.07 1aib h GLN 204 CO 0.13 0.85 -0.13 -1.49 -0.67 0.00 0.00 178.83 177.51 1aib h TRP 205 N 1.32 1.10 -0.25 2.96 4.06 -0.73 -0.92 115.95 123.48 1aib h TRP 205 Ca 0.37 -0.24 -0.01 0.00 2.06 0.00 0.00 58.89 61.07 1aib h TRP 205 Cb -0.11 -0.27 -0.01 0.00 -1.00 0.00 0.00 29.16 27.77 1aib h TRP 205 CO -0.00 1.05 0.11 1.96 -3.56 0.00 0.00 178.44 178.00 1aib h GLN 206 N 0.84 0.34 0.38 0.49 4.20 -1.34 0.13 115.11 120.15 1aib h GLN 206 Ca 0.13 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.78 1aib h GLN 206 Cb 0.70 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.41 1aib h GLN 206 CO 0.05 0.28 -0.18 1.15 -0.67 0.00 0.00 178.83 179.46 1aib h THR 207 N 0.35 0.49 -0.55 -0.54 2.02 -0.54 -2.22 112.91 111.92 1aib h THR 207 Ca 0.09 -0.61 0.16 0.00 0.77 0.00 0.00 66.41 66.82 1aib h THR 207 Cb 0.06 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.18 1aib h THR 207 CO -0.01 0.09 0.40 -0.07 0.37 0.00 0.00 175.52 176.30 1aib h LEU 208 N -0.92 0.00 -0.28 2.58 3.38 -0.94 0.01 115.31 119.15 1aib h LEU 208 Ca -0.05 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.74 1aib h LEU 208 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1aib h LEU 208 CO 0.09 0.00 -0.54 0.00 0.09 0.00 0.00 178.44 178.08 1aib h ALA 209 N 1.72 0.44 0.54 1.53 0.00 -0.82 -0.70 119.26 121.97 1aib h ALA 209 Ca 0.26 -0.51 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 1aib h ALA 209 Cb 1.06 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.78 1aib h ALA 209 CO -0.00 0.65 -0.26 0.37 0.00 0.00 0.00 179.25 180.01 1aib h GLN 210 N 0.63 -0.69 -0.38 0.00 4.15 -0.55 -2.84 115.11 115.42 1aib h GLN 210 Ca 0.01 0.05 0.06 0.00 0.77 0.00 0.00 58.65 59.53 1aib h GLN 210 Cb 1.15 0.16 -0.02 0.00 0.21 0.00 0.00 27.48 28.98 1aib h GLN 210 CO 0.12 -0.40 0.26 1.25 -1.93 0.00 0.00 178.83 178.13 1aib h LEU 211 N -1.09 0.25 -1.04 -2.39 5.85 -1.14 -1.11 115.31 114.63 1aib h LEU 211 Ca -0.07 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.62 1aib h LEU 211 Cb 0.61 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 1aib h LEU 211 CO 0.12 0.17 0.34 -1.28 -0.34 0.00 0.00 178.44 177.45 1aib h SER 212 N 0.29 0.92 1.27 1.25 0.87 -1.02 -1.78 113.55 115.36 1aib h SER 212 Ca 0.17 -0.10 -0.07 0.00 -1.23 0.00 0.00 61.79 60.55 1aib h SER 212 Cb 0.30 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 1aib h SER 212 CO -0.03 0.78 -0.76 -0.37 -0.53 0.00 0.00 176.83 175.91 1aib h VAL 213 N 1.02 0.38 0.18 2.23 -1.51 -0.98 -2.78 116.25 114.80 1aib h VAL 213 Ca 0.25 -1.62 -0.01 0.00 -1.23 0.00 0.00 66.70 64.09 1aib h VAL 213 Cb 0.10 2.01 0.00 0.00 -2.13 0.00 0.00 31.29 31.28 1aib h VAL 213 CO -0.03 0.22 -0.09 -0.08 -1.23 0.00 0.00 177.57 176.36 1aib h GLU 214 N 0.00 -0.24 0.00 5.19 4.81 -1.34 -3.26 114.58 119.74 1aib h GLU 214 Ca -0.04 0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.15 1aib h GLU 214 Cb 1.27 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.69 1aib h GLU 214 CO 0.03 0.01 -0.23 0.87 -0.73 0.00 0.00 179.01 178.96 1aib h LYS 215 N -0.47 0.00 0.00 1.92 6.56 -1.43 -3.48 116.57 119.67 1aib h LYS 215 Ca -0.03 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.56 1aib h LYS 215 Cb 0.36 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.02 1aib h LYS 215 CO 0.04 0.23 0.00 0.41 -2.06 0.00 0.00 179.45 178.07 1aib n GLY 216 N 0.26 0.47 3.85 3.86 0.00 -1.06 -4.20 105.19 108.37 1aib n GLY 216 Ca 0.00 -0.86 -0.32 0.00 0.00 0.00 0.00 46.02 44.85 1aib n GLY 216 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1aib s TRP 217 N -2.00 3.50 -0.40 1.61 0.51 -1.14 -1.03 118.94 120.00 1aib s TRP 217 Ca 0.00 1.38 -0.10 0.00 -2.12 0.00 0.00 56.10 55.25 1aib s TRP 217 Cb 0.00 -2.74 0.05 0.00 -0.81 0.00 0.00 33.47 29.97 1aib s TRP 217 CO 0.00 -0.41 0.23 -1.17 -0.51 0.00 0.00 176.95 175.09 1aib s LEU 218 N -4.31 4.93 0.24 2.99 2.96 -0.06 -4.88 118.68 120.54 1aib s LEU 218 Ca 0.57 -1.21 -0.30 0.00 -0.22 0.00 0.00 54.13 52.97 1aib s LEU 218 Cb -0.10 -2.02 -0.09 0.00 0.50 0.00 0.00 46.19 44.48 1aib s LEU 218 CO 0.37 -0.46 1.00 -2.16 -1.32 0.00 0.00 176.35 173.77 1aib s PRO 219 N 1.51 4.77 -0.23 0.98 0.04 -1.26 -0.27 135.00 140.54 1aib s PRO 219 Ca 0.02 1.59 -0.01 0.00 0.04 0.00 0.00 61.00 62.64 1aib s PRO 219 Cb -0.21 -3.26 0.06 0.00 0.04 0.00 0.00 34.50 31.13 1aib s PRO 219 CO 0.05 0.39 -0.00 -1.17 0.04 0.00 0.00 177.00 176.30 1aib s LEU 220 N -1.12 2.06 -0.15 -3.56 0.20 0.19 -2.95 118.68 113.36 1aib s LEU 220 Ca 0.43 -1.10 -0.26 0.00 0.69 0.00 0.00 54.13 53.88 1aib s LEU 220 Cb -0.28 -0.94 -0.01 0.00 -0.43 0.00 0.00 46.19 44.53 1aib s LEU 220 CO 0.35 -0.28 0.88 -0.36 -0.29 0.00 0.00 176.35 176.64 1aib s PHE 221 N 1.58 3.45 -0.35 5.38 0.08 0.41 -1.57 117.98 126.96 1aib s PHE 221 Ca -0.02 1.35 -0.14 0.00 0.12 0.00 0.00 56.93 58.23 1aib s PHE 221 Cb -0.18 -3.05 -0.01 0.00 -0.57 0.00 0.00 43.02 39.20 1aib s PHE 221 CO -0.08 -0.23 0.31 0.34 -0.10 0.00 0.00 175.22 175.46 1aib s ASP 222 N 1.12 6.13 -0.79 1.36 -1.08 0.35 -0.92 116.67 122.84 1aib s ASP 222 Ca 0.41 -0.38 0.02 0.00 -0.52 0.00 0.00 52.55 52.08 1aib s ASP 222 Cb -0.17 -2.17 0.22 0.00 -1.46 0.00 0.00 42.92 39.33 1aib s ASP 222 CO 0.14 -0.32 0.73 0.33 0.52 0.00 0.00 175.17 176.57 1aib n PHE 223 N 5.27 3.64 0.60 -5.34 -0.00 0.72 -1.40 117.46 120.95 1aib n PHE 223 Ca -0.11 -4.10 0.11 0.00 -0.00 0.00 0.00 57.45 53.36 1aib n PHE 223 Cb 0.49 -0.85 0.07 0.00 -0.00 0.00 0.00 39.48 39.19 1aib n PHE 223 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1aib n ALA 224 N 1.79 3.32 -2.38 3.13 0.00 -1.26 -2.55 120.51 122.56 1aib n ALA 224 Ca 0.23 -0.37 -0.03 0.00 0.00 0.00 0.00 53.44 53.28 1aib n ALA 224 Cb 0.37 -1.02 0.06 0.00 0.00 0.00 0.00 19.45 18.86 1aib n ALA 224 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1aib n TYR 225 N -1.96 0.99 -1.66 0.00 4.01 -1.26 -4.33 117.16 112.94 1aib n TYR 225 Ca 0.02 -1.58 -0.44 0.00 -0.16 0.00 0.00 57.90 55.74 1aib n TYR 225 Cb 0.43 -0.23 -0.04 0.00 -0.31 0.00 0.00 39.34 39.19 1aib n TYR 225 CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34 1aib n GLN 226 N -0.39 2.60 0.00 -0.72 7.27 -1.26 -1.46 117.38 123.42 1aib n GLN 226 Ca 0.16 0.95 0.00 0.00 0.07 0.00 0.00 57.00 58.18 1aib n GLN 226 Cb 0.92 -2.89 0.00 0.00 2.41 0.00 0.00 30.24 30.67 1aib n GLN 226 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1aib n GLY 227 N 4.57 0.79 0.52 1.69 0.00 -1.26 -4.78 105.19 106.72 1aib n GLY 227 Ca 0.21 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.36 1aib n GLY 227 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1aib n PHE 228 N -0.94 0.00 0.00 1.61 3.01 -0.53 -4.20 117.46 116.41 1aib n PHE 228 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1aib n PHE 228 Cb 0.00 -0.03 0.00 0.00 -0.01 0.00 0.00 39.48 39.44 1aib n PHE 228 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1aib n ALA 229 N 0.11 0.00 0.00 4.37 0.00 -1.26 -3.15 120.51 120.57 1aib n ALA 229 Ca 0.13 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1aib n ALA 229 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 1aib n ALA 229 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1aib n ARG 230 N -1.70 3.73 0.00 0.00 0.63 -1.26 -4.75 116.66 113.31 1aib n ARG 230 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1aib n ARG 230 Cb 0.00 -0.29 0.00 0.00 0.45 0.00 0.00 32.46 32.62 1aib n ARG 230 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1aib n GLY 231 N 0.58 4.05 0.42 5.14 0.00 -1.26 -4.92 105.19 109.21 1aib n GLY 231 Ca 0.00 -0.84 0.27 0.00 0.00 0.00 0.00 46.02 45.45 1aib n GLY 231 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1aib h LEU 233 N 0.00 0.38 0.06 0.99 5.85 -1.89 -0.54 115.31 120.16 1aib h LEU 233 Ca 0.00 0.10 -0.37 0.00 0.84 0.00 0.00 57.88 58.45 1aib h LEU 233 Cb 0.00 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 1aib h LEU 233 CO 0.00 -0.01 -2.19 -0.62 -0.34 0.00 0.00 178.44 175.28 1aib n GLU 234 N -4.66 0.70 0.07 1.25 -0.58 -1.26 -4.15 120.64 112.01 1aib n GLU 234 Ca 0.29 0.20 0.02 0.00 -0.42 0.00 0.00 57.16 57.25 1aib n GLU 234 Cb 1.06 -1.63 0.38 0.00 -0.57 0.00 0.00 31.44 30.68 1aib n GLU 234 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1aib h GLU 235 N 0.03 0.37 0.00 3.49 3.07 -1.83 -0.68 114.58 119.03 1aib h GLU 235 Ca -0.48 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.31 1aib h GLU 235 Cb 2.00 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 29.85 1aib h GLU 235 CO 0.02 0.40 0.00 -0.25 -1.40 0.00 0.00 179.01 177.78 1aib n ASP 236 N -4.33 0.65 -1.00 1.42 9.92 -0.24 -2.85 116.55 120.12 1aib n ASP 236 Ca 0.01 0.64 0.10 0.00 -0.53 0.00 0.00 54.79 55.00 1aib n ASP 236 Cb 0.21 -0.78 0.18 0.00 -0.64 0.00 0.00 41.12 40.09 1aib n ASP 236 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1aib n ALA 237 N -1.76 2.40 -0.25 2.24 0.00 -0.27 -4.52 120.51 118.35 1aib n ALA 237 Ca 0.03 -0.96 0.10 0.00 0.00 0.00 0.00 53.44 52.61 1aib n ALA 237 Cb 0.27 -0.75 0.36 0.00 0.00 0.00 0.00 19.45 19.33 1aib n ALA 237 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1aib h GLU 238 N 3.88 0.71 0.76 0.00 5.08 -1.37 0.40 114.58 124.05 1aib h GLU 238 Ca 0.00 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 1aib h GLU 238 Cb 0.89 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.98 1aib h GLU 238 CO 0.00 0.47 -0.40 0.78 -1.00 0.00 0.00 179.01 178.86 1aib h GLY 239 N 0.73 -1.17 0.31 -3.84 0.00 -1.82 0.29 103.07 97.58 1aib h GLY 239 Ca 0.41 0.45 0.13 0.00 0.00 0.00 0.00 47.33 48.33 1aib h GLY 239 CO -0.18 -0.41 0.47 -2.00 0.00 0.00 0.00 176.54 174.42 1aib h LEU 240 N -1.07 0.61 -1.49 3.11 5.85 -1.74 -0.53 115.31 120.05 1aib h LEU 240 Ca -0.10 0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.65 1aib h LEU 240 Cb 0.83 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.83 1aib h LEU 240 CO 0.15 0.29 -0.23 0.03 -0.34 0.00 0.00 178.44 178.33 1aib h ARG 241 N 0.70 0.00 -0.04 1.25 3.08 -0.57 0.95 114.38 119.75 1aib h ARG 241 Ca 0.46 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 60.33 1aib h ARG 241 Cb 0.58 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.65 1aib h ARG 241 CO -0.33 0.23 -0.67 0.00 -1.07 0.00 0.00 179.97 178.13 1aib h ALA 242 N 1.77 0.14 -0.56 0.04 0.00 0.12 -2.27 119.26 118.49 1aib h ALA 242 Ca -0.00 -0.58 -0.06 0.00 0.00 0.00 0.00 54.91 54.27 1aib h ALA 242 Cb 0.56 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1aib h ALA 242 CO 0.03 0.45 0.13 0.74 0.00 0.00 0.00 179.25 180.60 1aib h PHE 243 N 0.11 0.95 0.00 0.00 -1.00 -1.16 -2.39 116.94 113.45 1aib h PHE 243 Ca -0.07 -0.12 0.00 0.00 2.81 0.00 0.00 57.97 60.59 1aib h PHE 243 Cb 1.34 -0.27 0.00 0.00 3.61 0.00 0.00 35.95 40.64 1aib h PHE 243 CO 0.12 0.82 0.00 0.00 -1.61 0.00 0.00 178.31 177.65 1aib h ALA 244 N 1.02 1.00 -0.23 2.45 0.00 -0.79 -0.76 119.26 121.95 1aib h ALA 244 Ca 0.18 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.88 1aib h ALA 244 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1aib h ALA 244 CO 0.00 0.00 -0.65 0.00 0.00 0.00 0.00 179.25 178.60 1aib h ALA 245 N 2.04 0.40 0.00 0.00 0.00 -0.87 -3.34 119.26 117.49 1aib h ALA 245 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1aib h ALA 245 Cb 0.23 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1aib h ALA 245 CO 0.00 0.68 -1.38 -1.33 0.00 0.00 0.00 179.25 177.22 1aib n MET 246 N -3.97 0.55 -3.70 0.00 2.81 -0.92 -4.96 117.12 106.94 1aib n MET 246 Ca -0.06 -0.02 -0.23 0.00 -1.81 0.00 0.00 57.70 55.58 1aib n MET 246 Cb 0.68 -1.66 -0.02 0.00 -0.71 0.00 0.00 33.22 31.51 1aib n MET 246 CO 0.00 0.00 0.00 -1.01 1.51 0.00 0.00 175.97 176.47 1aib s HIS 247 N -3.38 3.47 -0.14 2.03 3.76 -0.34 -4.97 115.29 115.72 1aib s HIS 247 Ca -0.02 0.16 -0.01 0.00 -0.15 0.00 0.00 55.06 55.04 1aib s HIS 247 Cb 0.12 -1.73 -0.24 0.00 1.11 0.00 0.00 32.58 31.85 1aib s HIS 247 CO 0.84 0.30 0.28 1.63 -0.85 0.00 0.00 174.74 176.94 1aib n LYS 248 N -1.50 0.72 -4.18 1.40 4.76 -1.26 -4.92 118.16 113.17 1aib n LYS 248 Ca -0.07 0.23 -0.16 0.00 -2.87 0.00 0.00 58.31 55.44 1aib n LYS 248 Cb 0.56 -1.68 -0.13 0.00 -1.84 0.00 0.00 35.03 31.95 1aib n LYS 248 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1aib s GLU 249 N -2.55 0.64 -0.18 1.97 2.02 -1.26 -2.48 118.70 116.86 1aib s GLU 249 Ca -0.22 -0.62 -0.31 0.00 0.02 0.00 0.00 54.97 53.84 1aib s GLU 249 Cb 0.07 -0.55 0.14 0.00 0.10 0.00 0.00 34.13 33.90 1aib s GLU 249 CO 0.75 0.13 1.12 -1.17 0.02 0.00 0.00 175.26 176.11 1aib s LEU 250 N -1.08 -0.24 -0.04 1.80 0.20 -0.69 -4.65 118.68 113.98 1aib s LEU 250 Ca -0.03 0.19 -0.00 0.00 0.69 0.00 0.00 54.13 54.98 1aib s LEU 250 Cb -0.07 1.58 0.03 0.00 -0.43 0.00 0.00 46.19 47.29 1aib s LEU 250 CO 0.01 -0.27 0.01 -0.63 -0.29 0.00 0.00 176.35 175.18 1aib s ILE 251 N -1.53 0.16 -0.09 6.68 1.01 -1.15 -0.77 121.20 125.51 1aib s ILE 251 Ca 0.04 0.14 0.03 0.00 0.00 0.00 0.00 60.65 60.85 1aib s ILE 251 Cb -0.01 -0.28 -0.01 0.00 0.01 0.00 0.00 42.46 42.17 1aib s ILE 251 CO -0.03 0.16 -0.19 -0.69 0.00 0.00 0.00 174.94 174.19 1aib s VAL 252 N 1.27 2.60 -0.23 2.92 1.01 -0.51 -0.44 120.40 127.02 1aib s VAL 252 Ca -0.06 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 61.09 1aib s VAL 252 Cb -0.13 -2.03 0.05 0.00 0.00 0.00 0.00 36.38 34.27 1aib s VAL 252 CO -0.02 0.56 -0.12 0.00 0.00 0.00 0.00 175.10 175.51 1aib s ALA 253 N 0.01 2.40 0.24 5.51 0.00 -0.10 -0.60 121.76 129.23 1aib s ALA 253 Ca -0.06 -1.56 0.11 0.00 0.00 0.00 0.00 51.96 50.45 1aib s ALA 253 Cb -0.15 -1.46 -0.05 0.00 0.00 0.00 0.00 23.12 21.47 1aib s ALA 253 CO 0.05 -0.99 -0.21 -1.54 0.00 0.00 0.00 175.76 173.07 1aib s SER 254 N 1.20 3.40 -0.03 0.00 1.04 -0.53 -0.20 113.70 118.58 1aib s SER 254 Ca -0.05 -0.97 0.02 0.00 0.48 0.00 0.00 55.95 55.43 1aib s SER 254 Cb -0.18 -0.26 0.00 0.00 0.10 0.00 0.00 66.02 65.68 1aib s SER 254 CO -0.07 0.04 -0.09 -0.55 0.98 0.00 0.00 173.24 173.55 1aib s SER 255 N -3.20 1.23 -0.09 7.02 0.15 -1.06 -0.21 113.70 117.54 1aib s SER 255 Ca 0.26 -0.19 0.20 0.00 0.70 0.00 0.00 55.95 56.92 1aib s SER 255 Cb -0.06 -0.33 0.72 0.00 -1.71 0.00 0.00 66.02 64.65 1aib s SER 255 CO 0.12 0.07 1.62 -1.22 1.20 0.00 0.00 173.24 175.03 1aib n TYR 256 N 3.29 1.39 -0.09 3.44 4.01 -0.44 -4.53 117.16 124.24 1aib n TYR 256 Ca -0.18 -0.58 -0.08 0.00 -0.16 0.00 0.00 57.90 56.90 1aib n TYR 256 Cb 0.54 -0.18 0.09 0.00 -0.31 0.00 0.00 39.34 39.48 1aib n TYR 256 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 1aib h SER 257 N 4.25 0.79 0.02 7.72 0.02 -1.85 -2.80 113.55 121.70 1aib h SER 257 Ca 0.00 -0.28 -0.28 0.00 -0.84 0.00 0.00 61.79 60.39 1aib h SER 257 Cb 1.36 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 63.64 1aib h SER 257 CO 0.18 0.98 -1.52 1.41 -1.14 0.00 0.00 176.83 176.74 1aib n HIS 258 N -4.11 0.95 0.57 3.45 8.25 -1.26 -2.66 115.22 120.40 1aib n HIS 258 Ca 0.00 0.37 0.10 0.00 -0.26 0.00 0.00 57.72 57.92 1aib n HIS 258 Cb 0.43 -1.10 0.41 0.00 1.12 0.00 0.00 29.99 30.85 1aib n HIS 258 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1aib n ASN 259 N -4.25 0.19 -0.45 0.41 2.04 -1.26 -2.52 115.26 109.42 1aib n ASN 259 Ca -0.35 0.54 0.05 0.00 -0.44 0.00 0.00 54.58 54.38 1aib n ASN 259 Cb 0.77 -0.58 0.07 0.00 -2.53 0.00 0.00 39.78 37.51 1aib n ASN 259 CO 0.00 0.00 0.00 0.49 -0.44 0.00 0.00 177.26 177.31 1aib n PHE 260 N -1.70 0.13 -4.01 -2.53 3.01 -1.05 -4.80 117.46 106.51 1aib n PHE 260 Ca 0.04 -0.16 -0.31 0.00 1.01 0.00 0.00 57.45 58.03 1aib n PHE 260 Cb 0.23 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.69 1aib n PHE 260 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1aib n GLY 261 N 0.51 -0.41 0.90 1.37 0.00 -1.05 -4.61 105.19 101.90 1aib n GLY 261 Ca 0.07 0.16 0.01 0.00 0.00 0.00 0.00 46.02 46.27 1aib n GLY 261 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1aib n LEU 262 N -4.50 3.66 -0.32 0.99 7.94 -1.09 -4.74 117.00 118.95 1aib n LEU 262 Ca -0.04 -3.58 -0.08 0.00 -1.11 0.00 0.00 56.01 51.20 1aib n LEU 262 Cb 0.55 -0.58 -0.08 0.00 0.53 0.00 0.00 43.42 43.85 1aib n LEU 262 CO 0.79 1.11 0.40 -1.22 -1.11 0.00 0.00 177.39 177.35 1aib n TYR 263 N -1.05 -0.33 0.27 1.96 4.01 -1.19 -1.54 117.16 119.30 1aib n TYR 263 Ca 0.27 0.94 0.06 0.00 -0.16 0.00 0.00 57.90 59.01 1aib n TYR 263 Cb 0.91 -0.55 0.22 0.00 -0.31 0.00 0.00 39.34 39.60 1aib n TYR 263 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 1aib n ASN 264 N -4.84 3.02 -0.47 7.72 0.23 -1.26 -3.15 115.26 116.51 1aib n ASN 264 Ca 0.02 -2.25 0.10 0.00 -0.53 0.00 0.00 54.58 51.92 1aib n ASN 264 Cb 0.20 -0.44 -0.01 0.00 -2.08 0.00 0.00 39.78 37.45 1aib n ASN 264 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1aib n GLU 265 N 0.59 1.29 -2.88 -3.83 -0.58 -0.59 -5.03 120.64 109.61 1aib n GLU 265 Ca 0.15 -0.96 -0.08 0.00 -0.42 0.00 0.00 57.16 55.85 1aib n GLU 265 Cb 0.57 -1.44 0.01 0.00 -0.57 0.00 0.00 31.44 30.01 1aib n GLU 265 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1aib n ARG 266 N -0.05 -2.29 -4.73 3.49 5.12 -1.19 -4.48 116.66 112.54 1aib n ARG 266 Ca 0.09 2.06 -0.30 0.00 -1.93 0.00 0.00 57.85 57.77 1aib n ARG 266 Cb 0.45 -5.64 -0.17 0.00 -1.16 0.00 0.00 32.46 25.94 1aib n ARG 266 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1aib s VAL 267 N -2.63 1.70 0.05 1.55 1.01 -1.26 -3.29 120.40 117.52 1aib s VAL 267 Ca 0.23 -0.78 -0.28 0.00 0.00 0.00 0.00 61.98 61.14 1aib s VAL 267 Cb -0.06 -1.51 0.10 0.00 0.00 0.00 0.00 36.38 34.90 1aib s VAL 267 CO 0.77 0.48 1.18 -0.83 0.00 0.00 0.00 175.10 176.70 1aib s GLY 268 N 0.72 -0.32 0.02 4.51 0.00 -1.18 -1.33 107.32 109.74 1aib s GLY 268 Ca -0.12 0.44 -0.07 0.00 0.00 0.00 0.00 44.72 44.97 1aib s GLY 268 CO 0.02 0.46 0.14 0.00 0.00 0.00 0.00 173.10 173.72 1aib s ALA 269 N -2.66 -0.24 -0.30 3.20 0.00 0.70 -1.32 121.76 121.14 1aib s ALA 269 Ca 0.15 -0.32 0.03 0.00 0.00 0.00 0.00 51.96 51.82 1aib s ALA 269 Cb 0.02 0.20 0.08 0.00 0.00 0.00 0.00 23.12 23.43 1aib s ALA 269 CO -0.01 -0.29 -0.01 0.00 0.00 0.00 0.00 175.76 175.45 1aib s THR 271 N 1.06 5.30 -0.20 0.00 2.01 0.23 -1.28 115.64 122.76 1aib s THR 271 Ca 0.03 0.17 0.01 0.00 0.31 0.00 0.00 61.69 62.20 1aib s THR 271 Cb -0.19 -3.57 0.04 0.00 0.01 0.00 0.00 72.50 68.79 1aib s THR 271 CO -0.08 0.36 -0.10 -0.22 -0.69 0.00 0.00 174.62 173.89 1aib s LEU 272 N -1.78 2.23 -0.12 4.42 1.98 0.22 -1.43 118.68 124.20 1aib s LEU 272 Ca 0.28 -0.87 0.01 0.00 -2.89 0.00 0.00 54.13 50.66 1aib s LEU 272 Cb -0.13 -1.21 -0.01 0.00 0.66 0.00 0.00 46.19 45.49 1aib s LEU 272 CO 0.16 -0.15 -0.15 0.54 -1.89 0.00 0.00 176.35 174.87 1aib s VAL 273 N 1.41 2.88 0.33 1.68 0.11 0.05 -0.89 120.40 125.97 1aib s VAL 273 Ca -0.01 -0.73 0.09 0.00 -2.93 0.00 0.00 61.98 58.41 1aib s VAL 273 Cb -0.16 -2.19 -0.05 0.00 -1.53 0.00 0.00 36.38 32.45 1aib s VAL 273 CO -0.08 0.54 -0.03 0.00 -3.33 0.00 0.00 175.10 172.19 1aib s ALA 274 N 0.26 3.10 0.65 1.54 0.00 -0.08 -1.71 121.76 125.52 1aib s ALA 274 Ca -0.11 -1.95 0.36 0.00 0.00 0.00 0.00 51.96 50.27 1aib s ALA 274 Cb -0.16 -0.34 1.99 0.00 0.00 0.00 0.00 23.12 24.61 1aib s ALA 274 CO 0.06 0.11 2.16 0.00 0.00 0.00 0.00 175.76 178.09 1aib h ALA 275 N 1.91 1.30 -2.50 0.00 0.00 -1.79 -3.44 119.26 114.75 1aib h ALA 275 Ca -0.42 -0.00 0.15 0.00 0.00 0.00 0.00 54.91 54.64 1aib h ALA 275 Cb 1.25 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.97 1aib h ALA 275 CO 0.66 -0.18 0.42 0.16 0.00 0.00 0.00 179.25 180.32 1aib s ASP 276 N -5.08 -0.20 0.13 0.00 1.47 -1.26 -5.02 116.67 106.71 1aib s ASP 276 Ca -0.04 -0.46 -0.33 0.00 1.18 0.00 0.00 52.55 52.91 1aib s ASP 276 Cb 0.12 0.55 -0.10 0.00 -0.34 0.00 0.00 42.92 43.14 1aib s ASP 276 CO 0.40 -1.01 1.56 -1.28 0.68 0.00 0.00 175.17 175.52 1aib h SER 277 N 2.00 -1.69 -0.77 2.11 0.87 -1.76 -2.04 113.55 112.28 1aib h SER 277 Ca -0.23 0.21 0.09 0.00 -1.23 0.00 0.00 61.79 60.63 1aib h SER 277 Cb 1.24 0.67 -0.05 0.00 -0.44 0.00 0.00 62.40 63.82 1aib h SER 277 CO 0.25 -0.45 0.50 -0.08 -0.53 0.00 0.00 176.83 176.52 1aib h GLU 278 N -0.51 0.70 -0.03 2.24 4.81 -1.96 0.03 114.58 119.86 1aib h GLU 278 Ca 0.06 -0.04 -0.23 0.00 -0.13 0.00 0.00 59.36 59.01 1aib h GLU 278 Cb 0.65 -0.16 0.01 0.00 0.63 0.00 0.00 28.75 29.88 1aib h GLU 278 CO -0.48 0.46 -0.92 1.15 -0.73 0.00 0.00 179.01 178.49 1aib h THR 279 N 0.72 1.35 -0.09 0.32 2.02 -1.91 -0.39 112.91 114.94 1aib h THR 279 Ca 0.35 -2.30 -0.09 0.00 0.77 0.00 0.00 66.41 65.14 1aib h THR 279 Cb 0.41 2.31 -0.01 0.00 -1.74 0.00 0.00 68.15 69.12 1aib h THR 279 CO -0.13 0.70 -0.36 -0.37 0.37 0.00 0.00 175.52 175.73 1aib h VAL 280 N 0.32 1.28 -0.18 3.16 -1.51 -0.52 -0.43 116.25 118.37 1aib h VAL 280 Ca -0.08 -1.35 -0.22 0.00 -1.23 0.00 0.00 66.70 63.82 1aib h VAL 280 Cb 1.55 1.61 0.01 0.00 -2.13 0.00 0.00 31.29 32.33 1aib h VAL 280 CO 0.17 0.40 -0.74 0.44 -1.23 0.00 0.00 177.57 176.61 1aib h ASP 281 N 0.16 0.95 -0.24 4.19 5.19 -0.83 -1.17 116.42 124.66 1aib h ASP 281 Ca 0.02 -0.60 -0.03 0.00 -0.62 0.00 0.00 57.03 55.79 1aib h ASP 281 Cb 0.71 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 39.93 1aib h ASP 281 CO 0.05 1.41 0.02 -0.09 -3.12 0.00 0.00 179.24 177.51 1aib h ARG 282 N 0.56 0.41 -0.76 3.56 2.43 -0.72 -2.59 114.38 117.27 1aib h ARG 282 Ca -0.04 -0.12 -0.05 0.00 -0.81 0.00 0.00 59.98 58.96 1aib h ARG 282 Cb 1.37 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.84 1aib h ARG 282 CO 0.15 0.57 0.28 0.00 -1.51 0.00 0.00 179.97 179.46 1aib h ALA 283 N 0.83 0.99 0.00 2.80 0.00 -1.17 -3.15 119.26 119.56 1aib h ALA 283 Ca 0.07 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 1aib h ALA 283 Cb 0.37 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1aib h ALA 283 CO 0.01 0.64 -0.38 0.35 0.00 0.00 0.00 179.25 179.87 1aib h PHE 284 N 1.11 0.00 -0.43 0.00 3.57 -1.04 -1.69 116.94 118.46 1aib h PHE 284 Ca 0.25 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.64 1aib h PHE 284 Cb 0.25 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 1aib h PHE 284 CO 0.02 0.38 -0.19 0.66 -2.23 0.00 0.00 178.31 176.95 1aib h SER 285 N 0.00 0.86 0.80 0.41 4.64 -1.42 0.40 113.55 119.23 1aib h SER 285 Ca -0.00 -0.30 -0.08 0.00 -0.47 0.00 0.00 61.79 60.93 1aib h SER 285 Cb 0.78 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.62 1aib h SER 285 CO 0.05 1.03 -0.40 1.56 -0.87 0.00 0.00 176.83 178.20 1aib h GLN 286 N 0.74 0.00 -0.39 4.77 1.08 -1.42 -0.15 115.11 119.74 1aib h GLN 286 Ca 0.11 0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 57.18 1aib h GLN 286 Cb 0.71 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.13 1aib h GLN 286 CO 0.05 0.40 -0.27 1.98 -0.95 0.00 0.00 178.83 180.05 1aib h MET 287 N 0.00 0.81 -0.57 1.46 4.05 -0.66 -2.31 114.93 117.71 1aib h MET 287 Ca -0.00 -0.36 -0.04 0.00 -0.28 0.00 0.00 59.70 59.02 1aib h MET 287 Cb 0.90 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.66 1aib h MET 287 CO 0.05 0.99 0.20 0.87 0.23 0.00 0.00 176.91 179.24 1aib h LYS 288 N 0.70 0.88 -0.80 0.39 1.57 0.65 -1.79 116.57 118.16 1aib h LYS 288 Ca 0.09 -0.18 0.06 0.00 -1.87 0.00 0.00 60.65 58.74 1aib h LYS 288 Cb 0.80 -0.13 -0.05 0.00 0.08 0.00 0.00 32.23 32.93 1aib h LYS 288 CO 0.07 0.78 0.52 0.00 -0.57 0.00 0.00 179.45 180.25 1aib h ALA 289 N 1.06 1.60 -0.89 3.86 0.00 -0.96 -1.04 119.26 122.89 1aib h ALA 289 Ca 0.19 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.11 1aib h ALA 289 Cb 0.26 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 1aib h ALA 289 CO -0.01 0.28 0.58 0.00 0.00 0.00 0.00 179.25 180.10 1aib h ALA 290 N 1.56 1.46 0.02 0.00 0.00 -0.74 -2.95 119.26 118.60 1aib h ALA 290 Ca 0.34 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 1aib h ALA 290 Cb 0.20 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1aib h ALA 290 CO -0.12 0.44 -0.01 0.82 0.00 0.00 0.00 179.25 180.38 1aib h ILE 291 N 1.08 1.47 -0.15 0.00 2.04 -1.20 -3.13 117.51 117.62 1aib h ILE 291 Ca 0.36 -1.54 0.04 0.00 1.00 0.00 0.00 64.86 64.73 1aib h ILE 291 Cb 0.07 2.49 -0.01 0.00 -0.74 0.00 0.00 36.82 38.63 1aib h ILE 291 CO -0.11 0.39 0.35 -0.09 0.00 0.00 0.00 178.15 178.69 1aib h ARG 292 N -0.69 0.00 -0.14 2.37 9.65 -1.06 0.39 114.38 124.89 1aib h ARG 292 Ca -0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1aib h ARG 292 Cb 0.66 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.24 1aib h ARG 292 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 179.97 182.77 1aib n ALA 293 N -2.07 2.39 -1.09 2.80 0.00 -1.13 -4.20 120.51 117.21 1aib n ALA 293 Ca 0.01 -0.79 0.00 0.00 0.00 0.00 0.00 53.44 52.67 1aib n ALA 293 Cb 0.45 -0.47 0.00 0.00 0.00 0.00 0.00 19.45 19.43 1aib n ALA 293 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1aib n ASN 294 N 0.73 0.00 0.00 0.00 2.85 0.13 -4.91 115.26 114.05 1aib n ASN 294 Ca 0.10 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.57 1aib n ASN 294 Cb 0.37 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.39 1aib n ASN 294 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1aib n TYR 295 N -1.35 0.00 0.00 1.20 0.18 -0.73 -5.04 117.16 111.42 1aib n TYR 295 Ca 0.00 -0.25 0.00 0.00 1.88 0.00 0.00 57.90 59.53 1aib n TYR 295 Cb 0.00 -0.03 0.00 0.00 -0.38 0.00 0.00 39.34 38.93 1aib n TYR 295 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 1aib n SER 296 N -0.25 0.00 -3.44 9.48 2.88 -0.81 -4.80 113.62 116.69 1aib n SER 296 Ca 0.00 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.42 1aib n SER 296 Cb 0.16 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.60 1aib n SER 296 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1aib s ASN 297 N 0.00 -0.56 0.48 -3.46 2.20 -1.26 -4.20 114.94 108.14 1aib s ASN 297 Ca 0.00 0.06 -0.05 0.00 -0.94 0.00 0.00 52.86 51.92 1aib s ASN 297 Cb 0.00 0.58 -0.04 0.00 -2.00 0.00 0.00 41.25 39.79 1aib s ASN 297 CO 0.00 -0.91 0.79 -2.16 -2.94 0.00 0.00 177.10 171.88 1aib s PRO 298 N -3.49 3.55 -0.34 3.55 0.04 -1.26 -5.02 135.00 132.04 1aib s PRO 298 Ca 0.00 0.22 -0.29 0.00 0.04 0.00 0.00 61.00 60.98 1aib s PRO 298 Cb -0.01 -2.37 -0.01 0.00 0.04 0.00 0.00 34.50 32.15 1aib s PRO 298 CO -0.11 -0.21 1.64 -1.25 0.04 0.00 0.00 177.00 177.12 1aib s PRO 299 N -4.71 3.49 0.28 0.56 0.05 -1.26 -4.81 135.00 128.59 1aib s PRO 299 Ca 0.48 1.31 0.00 0.00 0.05 0.00 0.00 61.00 62.84 1aib s PRO 299 Cb -0.10 -4.11 0.53 0.00 0.05 0.00 0.00 34.50 30.86 1aib s PRO 299 CO 0.45 -1.67 1.83 0.00 0.05 0.00 0.00 177.00 177.66 1aib h ALA 300 N 11.80 1.46 -0.18 8.56 0.00 -1.95 -3.36 119.26 135.58 1aib h ALA 300 Ca -0.32 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1aib h ALA 300 Cb 1.14 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1aib h ALA 300 CO 1.04 0.19 0.00 1.58 0.00 0.00 0.00 179.25 182.07 1aib n HIS 301 N -4.65 0.00 -0.22 0.00 -0.00 -1.26 -0.81 115.22 108.27 1aib n HIS 301 Ca 0.18 0.00 0.02 0.00 -0.00 0.00 0.00 57.72 57.92 1aib n HIS 301 Cb 0.35 -0.47 0.14 0.00 -0.00 0.00 0.00 29.99 30.00 1aib n HIS 301 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.34 177.12 1aib h GLY 302 N 0.00 0.94 2.00 1.57 0.00 -1.79 0.66 103.07 106.46 1aib h GLY 302 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.22 1aib h GLY 302 CO 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 176.54 176.48 1aib n ALA 303 N -2.51 2.09 0.07 3.60 0.00 -1.19 -0.92 120.51 121.65 1aib n ALA 303 Ca 0.11 -0.08 -0.21 0.00 0.00 0.00 0.00 53.44 53.25 1aib n ALA 303 Cb 0.33 -1.39 -0.12 0.00 0.00 0.00 0.00 19.45 18.27 1aib n ALA 303 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1aib h SER 304 N 0.00 0.85 -0.13 0.00 0.02 0.12 -2.51 113.55 111.90 1aib h SER 304 Ca 0.00 -0.80 -0.01 0.00 -0.84 0.00 0.00 61.79 60.14 1aib h SER 304 Cb 0.41 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 1aib h SER 304 CO 0.00 1.55 0.05 0.58 -1.14 0.00 0.00 176.83 177.87 1aib h VAL 305 N 0.25 1.16 -0.07 2.27 2.07 -0.33 -0.58 116.25 121.02 1aib h VAL 305 Ca -0.16 -0.47 -0.06 0.00 0.82 0.00 0.00 66.70 66.83 1aib h VAL 305 Cb 1.79 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 32.78 1aib h VAL 305 CO 0.21 0.14 -0.22 0.58 0.02 0.00 0.00 177.57 178.31 1aib h VAL 306 N 0.05 1.19 -0.07 2.57 2.07 -1.12 -1.81 116.25 119.14 1aib h VAL 306 Ca 0.04 -0.90 -0.23 0.00 0.82 0.00 0.00 66.70 66.43 1aib h VAL 306 Cb 0.18 1.39 0.01 0.00 -1.52 0.00 0.00 31.29 31.35 1aib h VAL 306 CO -0.00 0.27 -0.88 0.00 0.02 0.00 0.00 177.57 176.97 1aib h ALA 307 N 1.67 0.31 -0.20 1.67 0.00 -1.17 -2.63 119.26 118.92 1aib h ALA 307 Ca 0.02 -0.65 -0.02 0.00 0.00 0.00 0.00 54.91 54.26 1aib h ALA 307 Cb 0.46 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1aib h ALA 307 CO 0.03 0.72 0.05 1.15 0.00 0.00 0.00 179.25 181.21 1aib h THR 308 N 0.40 1.20 0.54 0.00 2.02 -0.72 -0.84 112.91 115.50 1aib h THR 308 Ca -0.08 -0.63 -0.02 0.00 0.77 0.00 0.00 66.41 66.45 1aib h THR 308 Cb 1.51 1.24 -0.01 0.00 -1.74 0.00 0.00 68.15 69.15 1aib h THR 308 CO 0.17 0.20 -0.42 0.40 0.37 0.00 0.00 175.52 176.24 1aib h ILE 309 N 0.14 0.00 0.00 3.11 2.04 -1.41 -2.21 117.51 119.18 1aib h ILE 309 Ca 0.06 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.92 1aib h ILE 309 Cb 0.25 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.33 1aib h ILE 309 CO -0.00 0.00 -0.00 -0.07 0.00 0.00 0.00 178.15 178.08 1aib h LEU 310 N -0.92 0.00 0.00 1.44 3.38 -1.44 -0.76 115.31 117.01 1aib h LEU 310 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1aib h LEU 310 Cb 0.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1aib h LEU 310 CO 0.02 0.00 -0.90 -1.54 0.09 0.00 0.00 178.44 176.11 1aib n SER 311 N -3.53 0.65 -4.23 -0.43 3.41 -0.33 -4.76 113.62 104.41 1aib n SER 311 Ca -0.03 -0.04 -0.38 0.00 -0.26 0.00 0.00 58.87 58.16 1aib n SER 311 Cb 0.08 0.56 -0.12 0.00 -0.26 0.00 0.00 64.21 64.47 1aib n SER 311 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1aib s ASN 312 N -4.16 5.34 0.61 4.04 0.02 -0.31 -4.96 114.94 115.53 1aib s ASN 312 Ca 0.04 -1.44 0.24 0.00 -1.02 0.00 0.00 52.86 50.69 1aib s ASN 312 Cb 0.14 -1.88 0.98 0.00 0.02 0.00 0.00 41.25 40.51 1aib s ASN 312 CO 0.77 -0.42 1.43 0.44 0.02 0.00 0.00 177.10 179.34 1aib h ASP 313 N 8.21 0.00 0.03 -1.22 3.32 -1.86 0.49 116.42 125.40 1aib h ASP 313 Ca -0.21 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.75 1aib h ASP 313 Cb 1.07 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.62 1aib h ASP 313 CO 0.66 0.00 -0.47 0.00 -1.72 0.00 0.00 179.24 177.71 1aib h ALA 314 N 0.71 0.04 -0.21 3.45 0.00 -1.92 -2.88 119.26 118.45 1aib h ALA 314 Ca 0.36 -0.70 -0.16 0.00 0.00 0.00 0.00 54.91 54.41 1aib h ALA 314 Cb 2.36 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 20.32 1aib h ALA 314 CO -0.00 0.25 -0.53 -0.07 0.00 0.00 0.00 179.25 178.89 1aib h LEU 315 N -0.83 0.68 -1.56 0.00 3.38 -0.46 -2.07 115.31 114.46 1aib h LEU 315 Ca -0.11 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1aib h LEU 315 Cb 1.23 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 1aib h LEU 315 CO -0.00 1.08 0.29 -0.09 0.09 0.00 0.00 178.44 179.81 1aib h ARG 316 N 0.47 0.59 -0.23 1.13 2.43 -0.50 0.41 114.38 118.68 1aib h ARG 316 Ca 0.01 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 1aib h ARG 316 Cb 1.08 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.49 1aib h ARG 316 CO 0.10 0.39 0.11 0.00 -1.51 0.00 0.00 179.97 179.06 1aib h ALA 317 N 1.72 0.29 0.04 2.80 0.00 -1.24 0.66 119.26 123.53 1aib h ALA 317 Ca 0.16 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1aib h ALA 317 Cb -0.07 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1aib h ALA 317 CO -0.03 -0.14 -0.02 0.82 0.00 0.00 0.00 179.25 179.88 1aib h ILE 318 N 0.23 1.26 -0.36 0.00 2.04 -0.86 -2.88 117.51 116.94 1aib h ILE 318 Ca 0.08 -0.98 0.08 0.00 1.00 0.00 0.00 64.86 65.04 1aib h ILE 318 Cb 0.13 1.91 -0.09 0.00 -0.74 0.00 0.00 36.82 38.03 1aib h ILE 318 CO -0.01 0.25 -0.30 -0.25 0.00 0.00 0.00 178.15 177.83 1aib h TRP 319 N -0.48 -0.83 -0.97 1.37 7.01 -0.79 0.22 115.95 121.48 1aib h TRP 319 Ca -0.01 0.05 0.17 0.00 2.11 0.00 0.00 58.89 61.22 1aib h TRP 319 Cb 0.44 0.42 -0.09 0.00 -2.10 0.00 0.00 29.16 27.83 1aib h TRP 319 CO 0.07 -0.37 0.61 0.93 -2.79 0.00 0.00 178.44 176.89 1aib h GLU 320 N -0.25 0.71 -0.38 2.65 5.08 -0.85 0.99 114.58 122.52 1aib h GLU 320 Ca 0.17 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.39 1aib h GLU 320 Cb 0.52 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 1aib h GLU 320 CO -0.50 0.47 -0.16 1.96 -1.00 0.00 0.00 179.01 179.77 1aib h GLN 321 N 0.73 0.70 -0.61 2.33 1.08 -0.38 -0.04 115.11 118.91 1aib h GLN 321 Ca 0.52 -0.25 -0.07 0.00 -1.45 0.00 0.00 58.65 57.40 1aib h GLN 321 Cb 0.84 -0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 28.20 1aib h GLN 321 CO -0.29 0.83 0.09 0.93 -0.95 0.00 0.00 178.83 179.44 1aib h GLU 322 N 0.63 1.00 -0.57 1.46 5.08 0.16 0.18 114.58 122.52 1aib h GLU 322 Ca 0.10 -0.26 -0.11 0.00 -1.00 0.00 0.00 59.36 58.09 1aib h GLU 322 Cb 0.63 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 1aib h GLU 322 CO 0.04 0.93 -0.07 1.25 -1.00 0.00 0.00 179.01 180.17 1aib h LEU 323 N 0.94 1.05 -1.31 1.33 5.85 -0.27 -2.30 115.31 120.61 1aib h LEU 323 Ca 0.19 -0.33 -0.04 0.00 0.84 0.00 0.00 57.88 58.53 1aib h LEU 323 Cb 0.43 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 1aib h LEU 323 CO 0.01 1.14 -0.01 0.74 -0.34 0.00 0.00 178.44 179.98 1aib h THR 324 N 0.95 1.18 -0.11 1.05 2.02 -0.40 0.56 112.91 118.17 1aib h THR 324 Ca 0.15 -0.72 -0.18 0.00 0.77 0.00 0.00 66.41 66.43 1aib h THR 324 Cb 0.64 0.97 -0.00 0.00 -1.74 0.00 0.00 68.15 68.02 1aib h THR 324 CO 0.04 0.24 -0.70 0.44 0.37 0.00 0.00 175.52 175.92 1aib h ASP 325 N 0.43 0.55 -0.26 4.18 3.32 -0.31 -0.10 116.42 124.24 1aib h ASP 325 Ca 0.09 -0.35 -0.10 0.00 0.02 0.00 0.00 57.03 56.69 1aib h ASP 325 Cb 0.30 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.69 1aib h ASP 325 CO 0.01 1.08 -0.24 0.24 -1.72 0.00 0.00 179.24 178.61 1aib h MET 326 N 0.33 0.62 0.07 3.56 2.86 -0.75 0.21 114.93 121.84 1aib h MET 326 Ca -0.03 -0.32 0.01 0.00 -2.06 0.00 0.00 59.70 57.30 1aib h MET 326 Cb 1.27 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.92 1aib h MET 326 CO 0.12 0.92 -0.15 -0.09 1.06 0.00 0.00 176.91 178.78 1aib h ARG 327 N 0.34 -0.28 0.00 1.72 2.43 -0.74 -2.00 114.38 115.85 1aib h ARG 327 Ca 0.04 0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.18 1aib h ARG 327 Cb 0.80 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.41 1aib h ARG 327 CO 0.06 -0.19 -0.23 1.96 -1.51 0.00 0.00 179.97 180.07 1aib h GLN 328 N -0.29 0.00 -0.39 0.20 4.20 -0.82 -0.71 115.11 117.31 1aib h GLN 328 Ca 0.03 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.69 1aib h GLN 328 Cb 0.31 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 1aib h GLN 328 CO -0.09 0.23 0.05 -0.09 -0.67 0.00 0.00 178.83 178.25 1aib h ARG 329 N 0.00 0.65 0.10 1.46 2.43 -0.58 0.10 114.38 118.54 1aib h ARG 329 Ca -0.00 -0.18 -0.00 0.00 -0.81 0.00 0.00 59.98 58.98 1aib h ARG 329 Cb 0.53 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 1aib h ARG 329 CO 0.03 0.71 -0.05 0.82 -1.51 0.00 0.00 179.97 179.98 1aib h ILE 330 N 0.49 1.08 -0.95 1.20 2.04 -0.58 -2.06 117.51 118.73 1aib h ILE 330 Ca 0.12 -0.70 0.17 0.00 1.00 0.00 0.00 64.86 65.45 1aib h ILE 330 Cb 0.39 1.53 -0.10 0.00 -0.74 0.00 0.00 36.82 37.90 1aib h ILE 330 CO 0.01 0.17 0.55 1.56 0.00 0.00 0.00 178.15 180.44 1aib h GLN 331 N -0.45 0.71 -0.44 2.37 4.20 -1.09 -1.90 115.11 118.51 1aib h GLN 331 Ca -0.01 -0.04 0.06 0.00 0.06 0.00 0.00 58.65 58.71 1aib h GLN 331 Cb 0.38 -0.16 -0.05 0.00 0.30 0.00 0.00 27.48 27.94 1aib h GLN 331 CO 0.02 0.47 0.15 0.00 -0.67 0.00 0.00 178.83 178.80 1aib h ARG 332 N 0.73 0.30 -0.08 1.46 -0.00 -0.31 -2.66 114.38 113.82 1aib h ARG 332 Ca 0.53 -0.02 -0.13 0.00 -0.50 0.00 0.00 59.98 59.87 1aib h ARG 332 Cb 0.78 -0.07 -0.01 0.00 0.00 0.00 0.00 29.97 30.67 1aib h ARG 332 CO -0.37 0.20 -0.52 0.52 0.00 0.00 0.00 179.97 179.80 1aib h MET 333 N 0.31 0.23 -0.15 0.04 2.86 -0.69 -1.29 114.93 116.25 1aib h MET 333 Ca 0.21 -0.13 -0.02 0.00 -2.06 0.00 0.00 59.70 57.69 1aib h MET 333 Cb 0.21 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 1aib h MET 333 CO -0.22 0.70 0.01 0.00 1.06 0.00 0.00 176.91 178.46 1aib h ARG 334 N 0.18 0.26 -0.23 1.72 3.08 -1.15 0.58 114.38 118.82 1aib h ARG 334 Ca 0.00 -0.08 0.01 0.00 0.07 0.00 0.00 59.98 59.99 1aib h ARG 334 Cb 0.98 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.99 1aib h ARG 334 CO 0.08 0.47 0.13 1.96 -1.07 0.00 0.00 179.97 181.54 1aib h GLN 335 N 0.01 0.26 0.00 0.04 7.50 -1.27 -2.33 115.11 119.32 1aib h GLN 335 Ca 0.04 -0.02 -0.07 0.00 0.50 0.00 0.00 58.65 59.10 1aib h GLN 335 Cb 0.35 -0.06 -0.01 0.00 0.05 0.00 0.00 27.48 27.81 1aib h GLN 335 CO 0.01 0.18 -0.35 1.25 -1.50 0.00 0.00 178.83 178.41 1aib h LEU 336 N 0.27 0.00 -0.15 1.46 5.85 -1.23 -1.98 115.31 119.54 1aib h LEU 336 Ca 0.09 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.69 1aib h LEU 336 Cb -0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1aib h LEU 336 CO -0.04 0.35 -0.36 0.15 -0.34 0.00 0.00 178.44 178.19 1aib h PHE 337 N 0.00 0.64 -0.22 1.25 3.57 -0.58 0.61 116.94 122.22 1aib h PHE 337 Ca -0.00 -0.25 -0.15 0.00 3.53 0.00 0.00 57.97 61.10 1aib h PHE 337 Cb 0.99 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.60 1aib h PHE 337 CO 0.00 0.98 -0.46 -0.39 -2.23 0.00 0.00 178.31 176.21 1aib h VAL 338 N 0.12 1.31 0.56 1.41 -1.51 -1.29 -1.83 116.25 115.01 1aib h VAL 338 Ca -0.00 -1.66 -0.03 0.00 -1.23 0.00 0.00 66.70 63.77 1aib h VAL 338 Cb 0.97 1.64 0.01 0.00 -2.13 0.00 0.00 31.29 31.78 1aib h VAL 338 CO 0.08 0.52 -0.27 0.78 -1.23 0.00 0.00 177.57 177.45 1aib h ASN 339 N 0.46 -0.64 -0.05 4.19 -0.26 -1.31 -0.12 115.58 117.86 1aib h ASN 339 Ca 0.03 -0.00 0.01 0.00 -0.56 0.00 0.00 56.30 55.78 1aib h ASN 339 Cb 0.98 0.16 -0.00 0.00 -1.06 0.00 0.00 38.32 38.41 1aib h ASN 339 CO 0.09 -0.42 0.03 0.74 -1.06 0.00 0.00 177.43 176.81 1aib h THR 340 N -0.80 0.96 -0.03 2.81 2.02 -0.93 -0.81 112.91 116.13 1aib h THR 340 Ca -0.08 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.08 1aib h THR 340 Cb 0.60 0.98 0.00 0.00 -1.74 0.00 0.00 68.15 67.98 1aib h THR 340 CO 0.13 0.00 -0.06 0.25 0.37 0.00 0.00 175.52 176.20 1aib h LEU 341 N 0.00 0.10 -0.71 2.58 5.85 -0.88 -1.41 115.31 120.85 1aib h LEU 341 Ca 0.02 -0.58 0.07 0.00 0.84 0.00 0.00 57.88 58.23 1aib h LEU 341 Cb 0.09 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.03 1aib h LEU 341 CO -0.00 0.67 0.40 1.56 -0.34 0.00 0.00 178.44 180.72 1aib h GLN 342 N -0.46 0.69 -0.46 1.25 7.50 -0.00 -1.68 115.11 121.96 1aib h GLN 342 Ca 0.00 -0.04 -0.02 0.00 0.50 0.00 0.00 58.65 59.09 1aib h GLN 342 Cb 0.65 -0.16 -0.02 0.00 0.05 0.00 0.00 27.48 28.01 1aib h GLN 342 CO 0.01 0.46 0.21 0.93 -1.50 0.00 0.00 178.83 178.94 1aib h GLU 343 N 0.72 0.67 0.00 1.46 5.08 -1.23 -3.01 114.58 118.26 1aib h GLU 343 Ca 0.32 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1aib h GLU 343 Cb 0.23 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1aib h GLU 343 CO -0.20 0.58 0.00 1.63 -1.00 0.00 0.00 179.01 180.02 1aib n LYS 344 N -4.62 0.33 0.00 2.33 4.76 -0.53 -4.80 118.16 115.63 1aib n LYS 344 Ca 0.01 0.09 0.00 0.00 -2.87 0.00 0.00 58.31 55.54 1aib n LYS 344 Cb 0.13 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.82 1aib n LYS 344 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1aib n GLY 345 N 0.15 1.42 3.59 0.72 0.00 -1.14 -5.01 105.19 104.92 1aib n GLY 345 Ca 0.10 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.67 1aib n GLY 345 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aib n ALA 346 N -0.83 1.63 0.27 4.61 0.00 -0.70 -4.84 120.51 120.65 1aib n ALA 346 Ca 0.00 -0.15 0.17 0.00 0.00 0.00 0.00 53.44 53.46 1aib n ALA 346 Cb 0.00 -2.82 0.82 0.00 0.00 0.00 0.00 19.45 17.45 1aib n ALA 346 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1aib h ASN 347 N 13.91 0.00 -3.52 0.00 -1.24 -1.92 -3.44 115.58 119.37 1aib h ASN 347 Ca -0.41 0.00 -0.59 0.00 0.71 0.00 0.00 56.30 56.01 1aib h ASN 347 Cb 1.25 0.00 -0.19 0.00 0.73 0.00 0.00 38.32 40.11 1aib h ASN 347 CO 0.97 0.00 -0.81 -0.60 -1.29 0.00 0.00 177.43 175.70 1aib s ARG 348 N -4.25 1.35 -0.23 6.67 3.52 -1.26 -5.09 118.95 119.65 1aib s ARG 348 Ca -0.04 -1.41 -0.27 0.00 -0.13 0.00 0.00 55.73 53.88 1aib s ARG 348 Cb 0.11 -1.57 0.00 0.00 -1.56 0.00 0.00 34.95 31.93 1aib s ARG 348 CO 0.36 0.34 0.92 0.34 -0.81 0.00 0.00 175.30 176.45 1aib s ASP 349 N -2.52 6.96 -0.22 -2.12 2.15 -1.26 -4.90 116.67 114.76 1aib s ASP 349 Ca 0.16 1.20 0.15 0.00 0.43 0.00 0.00 52.55 54.48 1aib s ASP 349 Cb -0.07 -2.48 0.55 0.00 -0.30 0.00 0.00 42.92 40.62 1aib s ASP 349 CO 0.07 -0.57 1.48 0.49 -0.17 0.00 0.00 175.17 176.47 1aib n PHE 350 N 6.08 1.15 0.29 -5.34 3.01 -1.26 -4.74 117.46 116.65 1aib n PHE 350 Ca 0.08 -1.05 0.15 0.00 1.01 0.00 0.00 57.45 57.65 1aib n PHE 350 Cb 0.47 -0.39 0.86 0.00 -0.01 0.00 0.00 39.48 40.41 1aib n PHE 350 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1aib h SER 351 N 1.77 0.00 0.01 4.37 4.64 -1.95 -1.87 113.55 120.51 1aib h SER 351 Ca 0.07 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1aib h SER 351 Cb 1.59 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.68 1aib h SER 351 CO 0.31 0.06 -0.00 2.19 -0.87 0.00 0.00 176.83 178.52 1aib h PHE 352 N 0.00 0.00 -0.60 4.77 -5.15 -1.95 -0.93 116.94 113.08 1aib h PHE 352 Ca -0.00 0.00 0.17 0.00 -0.20 0.00 0.00 57.97 57.94 1aib h PHE 352 Cb 0.19 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.33 1aib h PHE 352 CO 0.00 0.00 0.53 0.82 -2.00 0.00 0.00 178.31 177.67 1aib h ILE 353 N 0.00 0.45 0.00 0.88 1.08 -1.73 -1.24 117.51 116.95 1aib h ILE 353 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1aib h ILE 353 Cb 0.00 0.60 0.00 0.00 -3.07 0.00 0.00 36.82 34.35 1aib h ILE 353 CO 0.00 0.00 -0.52 0.40 -0.69 0.00 0.00 178.15 177.35 1aib h ILE 354 N 0.00 0.00 0.00 -0.67 2.04 -1.39 -3.29 117.51 114.20 1aib h ILE 354 Ca 0.28 -0.92 -0.10 0.00 1.00 0.00 0.00 64.86 65.13 1aib h ILE 354 Cb 1.35 1.65 -0.01 0.00 -0.74 0.00 0.00 36.82 39.07 1aib h ILE 354 CO -0.00 0.00 -0.46 0.11 0.00 0.00 0.00 178.15 177.79 1aib h LYS 355 N 0.00 0.00 -7.40 2.37 1.57 -1.36 -3.47 116.57 108.28 1aib h LYS 355 Ca 0.00 0.00 -0.46 0.00 -1.87 0.00 0.00 60.65 58.32 1aib h LYS 355 Cb 0.96 0.00 0.09 0.00 0.08 0.00 0.00 32.23 33.36 1aib h LYS 355 CO 0.00 0.46 0.28 -0.65 -0.57 0.00 0.00 179.45 178.97 1aib s GLN 356 N -3.35 2.06 0.14 3.15 -0.21 -1.23 -4.95 119.66 115.27 1aib s GLN 356 Ca 0.01 -0.19 0.06 0.00 0.02 0.00 0.00 55.36 55.26 1aib s GLN 356 Cb 0.10 -2.11 -0.04 0.00 1.00 0.00 0.00 33.01 31.96 1aib s GLN 356 CO 0.72 -1.38 -0.13 -0.80 -2.12 0.00 0.00 175.29 171.57 1aib s ASN 357 N -4.55 2.03 0.52 5.90 0.02 0.25 -5.01 114.94 114.10 1aib s ASN 357 Ca 0.61 -0.87 0.00 0.00 -1.02 0.00 0.00 52.86 51.59 1aib s ASN 357 Cb -0.10 -0.07 0.00 0.00 0.02 0.00 0.00 41.25 41.10 1aib s ASN 357 CO 0.46 -0.18 0.00 0.61 0.02 0.00 0.00 177.10 178.01 1aib n GLY 358 N 0.31 -0.03 0.21 0.66 0.00 -1.19 -4.15 105.19 101.01 1aib n GLY 358 Ca -0.14 -0.99 0.13 0.00 0.00 0.00 0.00 46.02 45.03 1aib n GLY 358 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1aib h MET 359 N 0.00 0.00 -6.34 1.61 2.86 -1.93 -3.47 114.93 107.65 1aib h MET 359 Ca 0.00 0.00 -0.60 0.00 -2.06 0.00 0.00 59.70 57.04 1aib h MET 359 Cb 0.00 0.00 -0.12 0.00 0.06 0.00 0.00 31.60 31.54 1aib h MET 359 CO 0.00 0.00 -0.69 -0.06 1.06 0.00 0.00 176.91 177.22 1aib s PHE 360 N -3.30 2.67 -0.13 -0.22 0.08 -1.26 0.02 117.98 115.84 1aib s PHE 360 Ca 0.06 -0.21 -0.21 0.00 0.12 0.00 0.00 56.93 56.69 1aib s PHE 360 Cb 0.07 -1.26 0.05 0.00 -0.57 0.00 0.00 43.02 41.31 1aib s PHE 360 CO 0.62 0.55 0.54 -1.12 -0.10 0.00 0.00 175.22 175.71 1aib s SER 361 N -3.13 -0.52 -0.44 1.36 0.01 -0.92 -3.88 113.70 106.18 1aib s SER 361 Ca 0.27 0.82 -0.29 0.00 1.31 0.00 0.00 55.95 58.07 1aib s SER 361 Cb -0.08 0.83 0.03 0.00 0.21 0.00 0.00 66.02 67.01 1aib s SER 361 CO 0.17 -0.34 1.12 -0.36 0.41 0.00 0.00 173.24 174.24 1aib s PHE 362 N -0.38 2.90 -0.33 2.43 0.08 -1.25 -0.99 117.98 120.44 1aib s PHE 362 Ca -0.05 0.84 0.19 0.00 0.12 0.00 0.00 56.93 58.03 1aib s PHE 362 Cb -0.03 -4.24 1.01 0.00 -0.57 0.00 0.00 43.02 39.19 1aib s PHE 362 CO 0.04 -1.15 1.59 -1.13 -0.10 0.00 0.00 175.22 174.47 1aib n SER 363 N 7.59 0.50 -1.16 1.36 3.41 0.38 -4.85 113.62 120.85 1aib n SER 363 Ca 0.12 0.72 -0.03 0.00 -0.26 0.00 0.00 58.87 59.42 1aib n SER 363 Cb 0.48 -0.79 0.01 0.00 -0.26 0.00 0.00 64.21 63.66 1aib n SER 363 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1aib n GLY 364 N -1.17 0.51 3.30 5.00 0.00 -1.26 -5.07 105.19 106.50 1aib n GLY 364 Ca -0.01 -0.46 -0.24 0.00 0.00 0.00 0.00 46.02 45.31 1aib n GLY 364 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1aib s LEU 365 N -2.30 2.32 0.59 0.99 1.02 -1.26 -5.14 118.68 114.90 1aib s LEU 365 Ca 0.03 -0.71 -0.14 0.00 0.02 0.00 0.00 54.13 53.33 1aib s LEU 365 Cb -0.02 -0.92 -0.04 0.00 0.02 0.00 0.00 46.19 45.23 1aib s LEU 365 CO 0.10 0.06 1.03 -0.89 0.02 0.00 0.00 176.35 176.67 1aib s THR 366 N -1.25 4.21 0.34 5.49 2.01 -1.26 -4.59 115.64 120.59 1aib s THR 366 Ca 0.08 0.94 0.06 0.00 0.31 0.00 0.00 61.69 63.09 1aib s THR 366 Cb -0.10 -3.57 0.31 0.00 0.01 0.00 0.00 72.50 69.16 1aib s THR 366 CO 0.05 -0.72 1.89 0.50 -0.69 0.00 0.00 174.62 175.64 1aib h LYS 367 N 0.28 0.77 0.00 4.92 3.11 -1.96 0.50 116.57 124.19 1aib h LYS 367 Ca -0.46 -0.05 0.00 0.00 -2.81 0.00 0.00 60.65 57.34 1aib h LYS 367 Cb 1.20 -0.17 0.00 0.00 -1.00 0.00 0.00 32.23 32.26 1aib h LYS 367 CO 0.59 0.51 0.00 0.93 -2.81 0.00 0.00 179.45 178.67 1aib h GLU 368 N 0.79 0.00 0.19 1.90 3.07 -1.93 -1.37 114.58 117.24 1aib h GLU 368 Ca 0.42 0.00 -0.32 0.00 -0.50 0.00 0.00 59.36 58.97 1aib h GLU 368 Cb 0.54 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.47 1aib h GLU 368 CO -0.19 0.00 -1.45 1.96 -1.40 0.00 0.00 179.01 177.94 1aib h GLN 369 N 0.00 0.41 -0.04 2.33 4.20 -1.55 -2.85 115.11 117.61 1aib h GLN 369 Ca 0.00 -0.70 -0.06 0.00 0.06 0.00 0.00 58.65 57.96 1aib h GLN 369 Cb 0.95 0.26 -0.01 0.00 0.30 0.00 0.00 27.48 28.99 1aib h GLN 369 CO 0.00 1.32 -0.23 0.28 -0.67 0.00 0.00 178.83 179.53 1aib h VAL 370 N 0.11 1.19 0.01 -0.54 2.07 -0.65 -0.32 116.25 118.12 1aib h VAL 370 Ca -0.23 -0.89 -0.20 0.00 0.82 0.00 0.00 66.70 66.20 1aib h VAL 370 Cb 2.09 1.42 -0.03 0.00 -1.52 0.00 0.00 31.29 33.25 1aib h VAL 370 CO 0.23 0.26 -0.97 -0.07 0.02 0.00 0.00 177.57 177.04 1aib h LEU 371 N 0.06 0.04 -0.16 2.57 3.38 -1.34 -2.17 115.31 117.69 1aib h LEU 371 Ca 0.01 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1aib h LEU 371 Cb 0.45 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1aib h LEU 371 CO 0.03 0.98 0.07 0.03 0.09 0.00 0.00 178.44 179.64 1aib h ARG 372 N 0.01 0.23 -0.13 1.13 2.47 -1.04 -0.28 114.38 116.77 1aib h ARG 372 Ca -0.02 -0.04 0.05 0.00 -1.26 0.00 0.00 59.98 58.71 1aib h ARG 372 Cb 1.69 -0.04 -0.06 0.00 -1.65 0.00 0.00 29.97 29.92 1aib h ARG 372 CO 0.13 0.29 -0.22 -0.07 0.56 0.00 0.00 179.97 180.66 1aib h LEU 373 N 0.12 -0.69 0.70 3.04 3.38 -1.10 -0.83 115.31 119.94 1aib h LEU 373 Ca 0.05 0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 1aib h LEU 373 Cb 0.14 0.31 0.01 0.00 0.09 0.00 0.00 40.66 41.20 1aib h LEU 373 CO -0.01 -0.27 -0.34 0.03 0.09 0.00 0.00 178.44 177.95 1aib h ARG 374 N -0.28 -0.91 -0.44 1.13 3.08 -0.73 -1.64 114.38 114.60 1aib h ARG 374 Ca 0.10 0.06 0.03 0.00 0.07 0.00 0.00 59.98 60.24 1aib h ARG 374 Cb 0.43 0.21 -0.03 0.00 0.08 0.00 0.00 29.97 30.65 1aib h ARG 374 CO -0.29 -0.58 0.24 0.93 -1.07 0.00 0.00 179.97 179.19 1aib h GLU 375 N -1.02 0.46 0.13 0.04 4.39 -0.87 -3.29 114.58 114.41 1aib h GLU 375 Ca -0.10 -0.03 -0.28 0.00 0.34 0.00 0.00 59.36 59.30 1aib h GLU 375 Cb 0.74 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 1aib h GLU 375 CO 0.16 0.30 -1.41 0.93 -1.16 0.00 0.00 179.01 177.83 1aib h GLU 376 N 0.47 0.27 0.00 2.33 4.39 -1.26 -3.48 114.58 117.30 1aib h GLU 376 Ca 0.18 -0.46 -0.42 0.00 0.34 0.00 0.00 59.36 59.00 1aib h GLU 376 Cb 0.06 0.17 -0.04 0.00 -0.10 0.00 0.00 28.75 28.84 1aib h GLU 376 CO -0.11 1.22 -0.20 1.19 -1.16 0.00 0.00 179.01 179.94 1aib n PHE 377 N -3.90 -0.79 1.00 4.33 3.72 -0.62 -5.02 117.46 116.19 1aib n PHE 377 Ca -0.24 -1.71 0.11 0.00 -0.05 0.00 0.00 57.45 55.56 1aib n PHE 377 Cb 0.92 -0.33 0.33 0.00 -0.94 0.00 0.00 39.48 39.46 1aib n PHE 377 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1aib n GLY 378 N 0.15 0.67 3.67 1.37 0.00 -1.26 -4.47 105.19 105.33 1aib n GLY 378 Ca -0.02 -0.52 -0.43 0.00 0.00 0.00 0.00 46.02 45.06 1aib n GLY 378 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1aib s VAL 379 N -1.74 4.20 -0.30 1.61 1.01 -1.19 -1.72 120.40 122.27 1aib s VAL 379 Ca 0.34 1.49 -0.04 0.00 0.00 0.00 0.00 61.98 63.77 1aib s VAL 379 Cb 0.19 -3.96 0.04 0.00 0.00 0.00 0.00 36.38 32.65 1aib s VAL 379 CO 0.28 -0.07 0.04 -0.31 0.00 0.00 0.00 175.10 175.04 1aib s TYR 380 N 2.96 3.21 0.35 5.22 1.51 0.02 -1.97 117.35 128.65 1aib s TYR 380 Ca 0.57 -1.54 0.09 0.00 -1.01 0.00 0.00 57.07 55.18 1aib s TYR 380 Cb -0.24 -2.18 -0.06 0.00 -0.11 0.00 0.00 41.96 39.37 1aib s TYR 380 CO 0.19 -0.73 -0.05 0.00 -1.11 0.00 0.00 175.55 173.84 1aib s ALA 381 N 1.35 3.06 0.37 3.71 0.00 -1.26 0.26 121.76 129.25 1aib s ALA 381 Ca -0.02 -2.07 -0.26 0.00 0.00 0.00 0.00 51.96 49.61 1aib s ALA 381 Cb -0.19 -0.14 -0.09 0.00 0.00 0.00 0.00 23.12 22.70 1aib s ALA 381 CO 0.00 0.06 1.13 0.08 0.00 0.00 0.00 175.76 177.04 1aib s VAL 382 N -2.59 3.33 0.51 0.00 1.01 -1.18 -4.77 120.40 116.70 1aib s VAL 382 Ca 0.33 1.14 0.34 0.00 0.00 0.00 0.00 61.98 63.80 1aib s VAL 382 Cb 0.02 -3.65 0.34 0.00 0.00 0.00 0.00 36.38 33.09 1aib s VAL 382 CO 0.18 0.13 2.04 0.00 0.00 0.00 0.00 175.10 177.44 1aib h ALA 383 N 2.86 1.14 0.00 5.51 0.00 -1.92 0.32 119.26 127.17 1aib h ALA 383 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1aib h ALA 383 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1aib h ALA 383 CO 0.63 -0.14 0.00 -1.13 0.00 0.00 0.00 179.25 178.62 1aib n SER 384 N -2.83 0.00 0.00 0.00 3.41 -1.26 -4.40 113.62 108.54 1aib n SER 384 Ca -0.02 0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 1aib n SER 384 Cb 0.20 -0.32 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 1aib n SER 384 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1aib n GLY 385 N 0.03 0.76 3.72 5.00 0.00 0.10 -4.82 105.19 109.98 1aib n GLY 385 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1aib n GLY 385 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1aib s ARG 386 N -0.45 4.25 0.02 1.61 3.52 -1.24 -0.47 118.95 126.19 1aib s ARG 386 Ca 0.00 2.26 0.07 0.00 -0.13 0.00 0.00 55.73 57.93 1aib s ARG 386 Cb 0.00 -3.22 -0.02 0.00 -1.56 0.00 0.00 34.95 30.15 1aib s ARG 386 CO 0.00 -0.56 -0.21 0.14 -0.81 0.00 0.00 175.30 173.86 1aib s VAL 387 N 1.23 1.69 -0.44 7.11 -7.23 -0.16 -3.13 120.40 119.47 1aib s VAL 387 Ca 0.68 -1.11 -0.17 0.00 -1.81 0.00 0.00 61.98 59.57 1aib s VAL 387 Cb -0.41 -1.45 0.04 0.00 0.56 0.00 0.00 36.38 35.12 1aib s VAL 387 CO 0.31 0.30 0.45 0.21 -0.31 0.00 0.00 175.10 176.06 1aib s ASN 388 N -0.95 6.18 0.51 4.85 3.04 -0.39 -2.16 114.94 126.03 1aib s ASN 388 Ca 0.08 -0.84 0.19 0.00 0.04 0.00 0.00 52.86 52.33 1aib s ASN 388 Cb -0.09 -2.22 1.32 0.00 -1.54 0.00 0.00 41.25 38.72 1aib s ASN 388 CO 0.01 -0.63 2.12 0.58 -3.04 0.00 0.00 177.10 176.14 1aib h VAL 389 N 5.74 0.92 0.00 -5.21 2.07 -0.74 -1.44 116.25 117.59 1aib h VAL 389 Ca -0.27 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.04 1aib h VAL 389 Cb 1.11 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 1aib h VAL 389 CO 0.83 0.06 0.00 0.00 0.02 0.00 0.00 177.57 178.47 1aib h ALA 390 N 1.94 1.00 -0.01 1.67 0.00 -1.88 -0.51 119.26 121.47 1aib h ALA 390 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1aib h ALA 390 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1aib h ALA 390 CO 0.01 0.00 -0.05 0.41 0.00 0.00 0.00 179.25 179.62 1aib n GLY 391 N -0.90 -0.59 3.81 0.00 0.00 -0.54 -3.97 105.19 103.00 1aib n GLY 391 Ca -0.02 -0.32 -0.36 0.00 0.00 0.00 0.00 46.02 45.32 1aib n GLY 391 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1aib s MET 392 N -2.18 3.77 0.18 1.61 -1.94 -0.20 -4.83 119.30 115.71 1aib s MET 392 Ca 0.37 -0.18 0.11 0.00 -1.71 0.00 0.00 55.69 54.28 1aib s MET 392 Cb 0.21 -3.29 -0.04 0.00 2.01 0.00 0.00 34.83 33.72 1aib s MET 392 CO 0.40 0.56 -0.25 0.95 -0.01 0.00 0.00 175.02 176.67 1aib s THR 393 N -0.39 2.32 0.59 2.05 -4.23 -1.26 -4.93 115.64 109.79 1aib s THR 393 Ca 0.12 -1.96 0.29 0.00 -1.18 0.00 0.00 61.69 58.95 1aib s THR 393 Cb -0.12 -2.09 0.38 0.00 1.34 0.00 0.00 72.50 72.01 1aib s THR 393 CO 0.01 -0.07 1.90 1.55 -0.54 0.00 0.00 174.62 177.47 1aib h PRO 394 N 3.37 0.00 -0.01 3.99 0.13 -1.98 0.99 132.00 138.49 1aib h PRO 394 Ca -0.47 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.63 1aib h PRO 394 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1aib h PRO 394 CO 0.46 0.00 -0.09 -0.44 -0.23 0.00 0.00 178.00 177.70 1aib h ASP 395 N 0.00 0.10 0.56 1.44 5.19 -1.95 -3.32 116.42 118.44 1aib h ASP 395 Ca 0.21 -0.71 0.00 0.00 -0.62 0.00 0.00 57.03 55.91 1aib h ASP 395 Cb 1.16 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.64 1aib h ASP 395 CO -0.00 0.79 -0.24 -0.46 -3.12 0.00 0.00 179.24 176.20 1aib n ASN 396 N -4.66 0.42 -0.24 6.45 0.23 -0.31 -4.33 115.26 112.82 1aib n ASN 396 Ca -0.09 -0.22 -0.01 0.00 -0.53 0.00 0.00 54.58 53.74 1aib n ASN 396 Cb 0.40 -0.04 0.06 0.00 -2.08 0.00 0.00 39.78 38.12 1aib n ASN 396 CO 0.00 0.00 0.00 -0.03 -0.93 0.00 0.00 177.26 176.30 1aib h MET 397 N 0.28 -0.04 0.26 -3.83 4.05 -0.98 -2.48 114.93 112.18 1aib h MET 397 Ca 0.00 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 1aib h MET 397 Cb 0.46 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.27 1aib h MET 397 CO 0.00 -0.03 -0.12 0.00 0.23 0.00 0.00 176.91 176.99 1aib h ALA 398 N 1.53 -0.35 -0.99 0.39 0.00 -1.80 -2.45 119.26 115.60 1aib h ALA 398 Ca 0.32 -0.20 0.21 0.00 0.00 0.00 0.00 54.91 55.24 1aib h ALA 398 Cb 0.53 0.13 -0.10 0.00 0.00 0.00 0.00 17.79 18.36 1aib h ALA 398 CO -0.73 -0.48 0.62 -1.00 0.00 0.00 0.00 179.25 177.66 1aib h PRO 399 N -0.78 0.62 0.61 0.00 0.13 -1.84 -0.68 132.00 130.06 1aib h PRO 399 Ca -0.04 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 65.03 1aib h PRO 399 Cb 0.51 -0.14 0.01 0.00 0.13 0.00 0.00 31.00 31.50 1aib h PRO 399 CO 0.06 0.41 -0.29 1.25 -0.23 0.00 0.00 178.00 179.20 1aib h LEU 400 N 0.64 -0.69 -1.95 1.56 5.85 -1.48 -2.17 115.31 117.06 1aib h LEU 400 Ca 0.57 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 59.30 1aib h LEU 400 Cb 1.06 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.26 1aib h LEU 400 CO -0.34 -0.39 0.11 0.00 -0.34 0.00 0.00 178.44 177.48 1aib h GLU 402 N 0.07 0.65 -0.02 0.00 5.08 -0.84 -0.06 114.58 119.47 1aib h GLU 402 Ca 0.07 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 1aib h GLU 402 Cb 0.19 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 1aib h GLU 402 CO -0.01 0.77 -0.02 0.00 -1.00 0.00 0.00 179.01 178.76 1aib h ALA 403 N 1.25 0.03 -0.49 3.43 0.00 -0.54 -1.69 119.26 121.24 1aib h ALA 403 Ca 0.10 -0.25 0.08 0.00 0.00 0.00 0.00 54.91 54.84 1aib h ALA 403 Cb 0.59 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.31 1aib h ALA 403 CO 0.04 -0.22 0.09 0.82 0.00 0.00 0.00 179.25 179.98 1aib h ILE 404 N -0.43 0.72 0.00 0.00 2.04 -1.10 -1.09 117.51 117.64 1aib h ILE 404 Ca 0.00 -0.08 -0.04 0.00 1.00 0.00 0.00 64.86 65.74 1aib h ILE 404 Cb 0.51 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 1aib h ILE 404 CO 0.00 0.04 -0.21 0.58 0.00 0.00 0.00 178.15 178.57 1aib h VAL 405 N 0.22 1.06 0.00 1.67 2.07 -0.93 -2.23 116.25 118.11 1aib h VAL 405 Ca 0.24 -0.73 -0.03 0.00 0.82 0.00 0.00 66.70 67.00 1aib h VAL 405 Cb 0.33 1.40 -0.00 0.00 -1.52 0.00 0.00 31.29 31.50 1aib h VAL 405 CO -0.33 0.20 -0.16 0.00 0.02 0.00 0.00 177.57 177.30 1aib h ALA 407 N 1.79 0.99 0.00 1.67 0.00 -0.23 -3.15 119.26 120.32 1aib h ALA 407 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1aib h ALA 407 Cb 0.39 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1aib h ALA 407 CO 0.03 0.21 -1.22 1.33 0.00 0.00 0.00 179.25 179.60 1aib n VAL 408 N -3.27 0.00 0.00 0.00 0.24 -0.90 -5.09 118.33 109.30 1aib n VAL 408 Ca 0.01 -0.19 0.00 0.00 -2.04 0.00 0.00 64.34 62.11 1aib n VAL 408 Cb 0.43 0.68 0.00 0.00 -1.47 0.00 0.00 33.84 33.48 1aib n VAL 408 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87