#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3pck s ILE 2 N 0.00 3.96 -0.14 0.52 -1.09 -1.26 -5.03 121.20 118.16 3pck s ILE 2 Ca 0.00 1.33 -0.02 0.00 -2.23 0.00 0.00 60.65 59.74 3pck s ILE 2 Cb 0.00 -3.86 -0.02 0.00 -1.58 0.00 0.00 42.46 37.00 3pck s ILE 2 CO 0.00 0.02 -0.09 -1.61 -1.23 0.00 0.00 174.94 172.03 3pck s GLU 3 N 2.09 3.48 0.72 2.79 0.41 -1.26 -5.13 118.70 121.81 3pck s GLU 3 Ca 0.60 -0.61 -0.01 0.00 -0.41 0.00 0.00 54.97 54.55 3pck s GLU 3 Cb -0.29 -2.75 0.13 0.00 -1.78 0.00 0.00 34.13 29.44 3pck s GLU 3 CO 0.25 0.25 1.00 -0.51 -0.49 0.00 0.00 175.26 175.76 3pck s LEU 4 N 0.30 2.97 0.39 1.80 1.02 -1.26 -5.04 118.68 118.86 3pck s LEU 4 Ca -0.07 -0.40 -0.27 0.00 0.02 0.00 0.00 54.13 53.42 3pck s LEU 4 Cb -0.15 -1.93 -0.09 0.00 0.02 0.00 0.00 46.19 44.04 3pck s LEU 4 CO 0.04 -1.88 1.31 -0.76 0.02 0.00 0.00 176.35 175.09 3pck s LEU 5 N -5.14 4.25 0.42 1.79 1.43 -1.26 -4.97 118.68 115.20 3pck s LEU 5 Ca 0.67 2.68 -0.22 0.00 -1.03 0.00 0.00 54.13 56.22 3pck s LEU 5 Cb -0.05 -3.85 -0.10 0.00 0.03 0.00 0.00 46.19 42.22 3pck s LEU 5 CO 0.44 -0.80 1.00 -2.16 0.23 0.00 0.00 176.35 175.06 3pck s PRO 6 N -2.16 4.15 0.39 1.29 0.04 -1.26 -5.02 135.00 132.42 3pck s PRO 6 Ca 0.55 1.32 -0.26 0.00 0.04 0.00 0.00 61.00 62.65 3pck s PRO 6 Cb -0.39 -2.34 -0.09 0.00 0.04 0.00 0.00 34.50 31.73 3pck s PRO 6 CO 0.50 -0.12 1.18 -2.00 0.04 0.00 0.00 177.00 176.60 3pck s GLU 7 N -2.85 4.12 0.17 4.56 2.12 -1.26 -4.96 118.70 120.59 3pck s GLU 7 Ca 0.61 1.87 -0.32 0.00 0.36 0.00 0.00 54.97 57.49 3pck s GLU 7 Cb -0.16 -2.75 -0.11 0.00 0.26 0.00 0.00 34.13 31.38 3pck s GLU 7 CO 0.20 -0.27 1.72 0.99 -0.54 0.00 0.00 175.26 177.36 3pck s THR 8 N -1.37 2.36 0.33 -1.70 2.01 -1.26 -4.94 115.64 111.07 3pck s THR 8 Ca 0.55 0.15 -0.28 0.00 0.31 0.00 0.00 61.69 62.42 3pck s THR 8 Cb -0.32 -3.09 -0.09 0.00 0.01 0.00 0.00 72.50 69.01 3pck s THR 8 CO 0.40 0.01 1.18 -2.16 -0.69 0.00 0.00 174.62 173.36 3pck s PRO 9 N 1.71 4.38 0.56 4.92 0.04 -1.26 -5.01 135.00 140.34 3pck s PRO 9 Ca 0.75 1.94 -0.19 0.00 0.04 0.00 0.00 61.00 63.54 3pck s PRO 9 Cb -0.47 -3.00 -0.05 0.00 0.04 0.00 0.00 34.50 31.02 3pck s PRO 9 CO 0.33 -0.06 1.13 0.45 0.04 0.00 0.00 177.00 178.89 3pck s SER 10 N -0.84 5.62 0.04 6.66 0.15 -1.26 -5.08 113.70 118.99 3pck s SER 10 Ca 0.49 2.18 0.01 0.00 0.70 0.00 0.00 55.95 59.33 3pck s SER 10 Cb -0.34 -2.58 -0.03 0.00 -1.71 0.00 0.00 66.02 61.37 3pck s SER 10 CO 0.44 -1.29 -0.05 -1.10 1.20 0.00 0.00 173.24 172.44 3pck s GLN 11 N -3.36 0.46 0.62 5.44 -1.52 -1.21 -4.90 119.66 115.18 3pck s GLN 11 Ca 0.73 -0.79 -0.19 0.00 -1.95 0.00 0.00 55.36 53.16 3pck s GLN 11 Cb -0.24 -0.03 -0.03 0.00 -0.22 0.00 0.00 33.01 32.49 3pck s GLN 11 CO 0.29 -0.02 1.20 -2.37 -0.25 0.00 0.00 175.29 174.13 3pck n THR 12 N 1.25 4.38 0.18 -0.19 5.66 -1.22 -4.80 114.28 119.55 3pck n THR 12 Ca -0.21 -0.50 0.06 0.00 -3.05 0.00 0.00 64.05 60.34 3pck n THR 12 Cb 0.56 -1.41 0.28 0.00 -1.55 0.00 0.00 70.33 68.21 3pck n THR 12 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3pck h ALA 13 N 0.67 0.92 0.00 1.79 0.00 -1.75 -3.49 119.26 117.39 3pck h ALA 13 Ca -0.50 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.07 3pck h ALA 13 Cb 1.34 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3pck h ALA 13 CO 0.53 0.47 0.00 0.41 0.00 0.00 0.00 179.25 180.66 3pck n GLY 14 N 0.47 -1.40 0.20 0.00 0.00 -1.26 -4.20 105.19 99.00 3pck n GLY 14 Ca 0.00 -1.58 0.08 0.00 0.00 0.00 0.00 46.02 44.52 3pck n GLY 14 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3pck h PRO 15 N 0.00 0.00 -0.66 1.61 0.13 -1.94 -3.27 132.00 127.88 3pck h PRO 15 Ca 0.00 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.04 3pck h PRO 15 Cb 0.00 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.07 3pck h PRO 15 CO 0.00 0.30 0.12 0.66 -0.23 0.00 0.00 178.00 178.85 3pck n TYR 16 N -3.47 2.28 -0.16 1.56 4.01 -1.26 -4.62 117.16 115.50 3pck n TYR 16 Ca -0.00 -0.93 0.28 0.00 -0.16 0.00 0.00 57.90 57.09 3pck n TYR 16 Cb 0.47 -0.60 0.72 0.00 -0.31 0.00 0.00 39.34 39.62 3pck n TYR 16 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 3pck h VAL 17 N 3.48 0.51 -0.61 -0.72 3.04 -1.72 -1.15 116.25 119.07 3pck h VAL 17 Ca 0.12 0.00 0.01 0.00 -1.01 0.00 0.00 66.70 65.82 3pck h VAL 17 Cb 2.16 0.55 -0.03 0.00 -2.01 0.00 0.00 31.29 31.95 3pck h VAL 17 CO 0.61 0.00 0.41 0.45 -1.01 0.00 0.00 177.57 178.03 3pck h HIS 18 N 0.00 0.75 -0.64 3.17 3.86 -1.85 -0.61 115.15 119.84 3pck h HIS 18 Ca 0.41 0.02 0.07 0.00 -1.16 0.00 0.00 60.37 59.71 3pck h HIS 18 Cb 1.69 -0.25 -0.04 0.00 1.06 0.00 0.00 27.41 29.87 3pck h HIS 18 CO 0.00 0.46 0.42 -0.84 0.86 0.00 0.00 177.93 178.84 3pck h ILE 19 N 0.80 0.97 0.00 2.45 3.07 -1.44 0.32 117.51 123.69 3pck h ILE 19 Ca 0.23 -0.20 -0.34 0.00 1.55 0.00 0.00 64.86 66.10 3pck h ILE 19 Cb -0.05 0.34 -0.06 0.00 -0.27 0.00 0.00 36.82 36.78 3pck h ILE 19 CO -0.05 0.11 -2.16 0.61 -1.05 0.00 0.00 178.15 175.60 3pck n GLY 20 N -1.48 -0.97 0.00 0.16 0.00 -0.64 -4.58 105.19 97.68 3pck n GLY 20 Ca 0.10 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.89 3pck n GLY 20 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3pck n LEU 21 N -2.88 0.79 -2.90 0.99 4.77 -0.33 -4.84 117.00 112.59 3pck n LEU 21 Ca -0.28 -0.79 -0.12 0.00 -0.03 0.00 0.00 56.01 54.78 3pck n LEU 21 Cb 1.11 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 42.25 3pck n LEU 21 CO 0.43 0.20 0.12 0.00 -1.33 0.00 0.00 177.39 176.81 3pck n ALA 22 N -0.05 0.40 -0.38 -1.18 0.00 0.11 -4.97 120.51 114.44 3pck n ALA 22 Ca 0.00 -2.23 -0.04 0.00 0.00 0.00 0.00 53.44 51.17 3pck n ALA 22 Cb 0.11 -1.06 -0.01 0.00 0.00 0.00 0.00 19.45 18.49 3pck n ALA 22 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3pck n LEU 23 N 0.30 -0.76 -0.11 0.00 4.32 -0.75 -1.27 117.00 118.72 3pck n LEU 23 Ca 0.13 1.67 -0.11 0.00 -0.02 0.00 0.00 56.01 57.69 3pck n LEU 23 Cb 0.69 -0.32 -0.06 0.00 -1.62 0.00 0.00 43.42 42.11 3pck n LEU 23 CO 0.11 -1.45 0.56 1.05 -1.22 0.00 0.00 177.39 176.44 3pck h GLU 24 N 0.00 -0.35 -0.97 3.23 -0.00 -1.86 -1.33 114.58 113.30 3pck h GLU 24 Ca 0.27 0.02 0.17 0.00 -0.00 0.00 0.00 59.36 59.82 3pck h GLU 24 Cb 0.50 0.08 -0.10 0.00 -0.00 0.00 0.00 28.75 29.23 3pck h GLU 24 CO -0.93 -0.23 0.58 0.00 -0.00 0.00 0.00 179.01 178.43 3pck h ALA 25 N 0.31 1.57 0.00 1.06 0.00 -1.51 0.62 119.26 121.31 3pck h ALA 25 Ca 0.12 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3pck h ALA 25 Cb 0.59 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3pck h ALA 25 CO -0.56 -0.02 0.00 0.00 0.00 0.00 0.00 179.25 178.67 3pck h ALA 26 N 1.61 1.00 -0.79 0.00 0.00 -0.62 -3.45 119.26 117.01 3pck h ALA 26 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.46 3pck h ALA 26 Cb 0.79 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3pck h ALA 26 CO -0.36 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.30 3pck n GLY 27 N -0.71 0.88 3.39 0.00 0.00 0.22 -4.98 105.19 103.99 3pck n GLY 27 Ca -0.02 -0.67 -0.25 0.00 0.00 0.00 0.00 46.02 45.09 3pck n GLY 27 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3pck s ASN 28 N -2.94 3.15 0.38 1.61 0.01 -0.98 -5.05 114.94 111.12 3pck s ASN 28 Ca 0.00 -0.88 -0.27 0.00 -0.71 0.00 0.00 52.86 50.99 3pck s ASN 28 Cb 0.00 -0.22 -0.10 0.00 0.41 0.00 0.00 41.25 41.34 3pck s ASN 28 CO 0.00 0.05 1.38 -2.16 -1.51 0.00 0.00 177.10 174.86 3pck s PRO 29 N -2.81 4.09 0.59 -0.60 0.04 -1.26 -3.91 135.00 131.14 3pck s PRO 29 Ca 0.20 2.34 -0.01 0.00 0.04 0.00 0.00 61.00 63.56 3pck s PRO 29 Cb -0.07 -2.91 0.04 0.00 0.04 0.00 0.00 34.50 31.61 3pck s PRO 29 CO 0.09 -0.45 0.84 0.95 0.04 0.00 0.00 177.00 178.47 3pck s THR 30 N -1.17 2.66 0.60 1.26 -4.23 -1.26 -4.89 115.64 108.60 3pck s THR 30 Ca 0.54 -0.53 0.03 0.00 -1.18 0.00 0.00 61.69 60.56 3pck s THR 30 Cb -0.42 -3.04 0.08 0.00 1.34 0.00 0.00 72.50 70.46 3pck s THR 30 CO 0.55 -0.03 0.83 -0.13 -0.54 0.00 0.00 174.62 175.30 3pck s ARG 31 N -4.89 2.21 0.19 3.99 0.52 -1.26 -5.02 118.95 114.68 3pck s ARG 31 Ca 0.58 -1.17 -0.13 0.00 -0.52 0.00 0.00 55.73 54.48 3pck s ARG 31 Cb -0.10 -2.51 0.19 0.00 0.52 0.00 0.00 34.95 33.05 3pck s ARG 31 CO 0.40 -0.96 1.73 -0.44 0.02 0.00 0.00 175.30 176.05 3pck h ASP 32 N -0.04 0.06 -3.14 0.23 3.32 -2.07 -3.39 116.42 111.38 3pck h ASP 32 Ca -0.37 0.08 -0.65 0.00 0.02 0.00 0.00 57.03 56.11 3pck h ASP 32 Cb 1.28 0.09 -0.35 0.00 0.22 0.00 0.00 39.33 40.58 3pck h ASP 32 CO 0.44 0.06 -0.86 -1.10 -1.72 0.00 0.00 179.24 176.07 3pck s GLN 33 N -6.13 2.82 0.00 3.56 -0.21 -1.26 -5.12 119.66 113.32 3pck s GLN 33 Ca -0.13 -0.77 0.04 0.00 0.02 0.00 0.00 55.36 54.52 3pck s GLN 33 Cb 0.15 -2.38 -0.01 0.00 1.00 0.00 0.00 33.01 31.77 3pck s GLN 33 CO 0.73 -0.13 -0.14 -1.21 -2.12 0.00 0.00 175.29 172.42 3pck s GLU 34 N 1.11 1.09 -0.26 2.91 0.41 -1.26 -5.12 118.70 117.58 3pck s GLU 34 Ca -0.01 -0.57 -0.21 0.00 -0.41 0.00 0.00 54.97 53.78 3pck s GLU 34 Cb -0.14 -1.07 -0.01 0.00 -1.78 0.00 0.00 34.13 31.13 3pck s GLU 34 CO -0.07 0.29 0.67 0.42 -0.49 0.00 0.00 175.26 176.08 3pck s ILE 35 N -0.45 4.94 0.00 -1.63 1.01 -1.26 -5.02 121.20 118.79 3pck s ILE 35 Ca 0.05 1.19 0.00 0.00 0.00 0.00 0.00 60.65 61.89 3pck s ILE 35 Cb -0.06 -3.98 0.00 0.00 0.01 0.00 0.00 42.46 38.43 3pck s ILE 35 CO -0.00 -0.02 0.00 1.87 0.00 0.00 0.00 174.94 176.79 3pck n TRP 36 N 5.81 0.00 1.25 3.97 -0.00 -1.26 -4.62 117.44 122.59 3pck n TRP 36 Ca 0.01 0.00 0.05 0.00 -0.00 0.00 0.00 57.50 57.56 3pck n TRP 36 Cb 0.49 0.00 0.18 0.00 -0.00 0.00 0.00 31.31 31.98 3pck n TRP 36 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 177.69 177.96 3pck n ASN 37 N 0.00 1.32 -4.12 5.87 6.94 -0.37 -1.79 115.26 123.12 3pck n ASN 37 Ca 0.00 -1.92 -0.37 0.00 -0.02 0.00 0.00 54.58 52.27 3pck n ASN 37 Cb 0.00 -0.15 -0.09 0.00 -2.36 0.00 0.00 39.78 37.18 3pck n ASN 37 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 3pck s ARG 38 N -1.70 2.57 0.17 -3.83 6.06 -1.26 -0.70 118.95 120.26 3pck s ARG 38 Ca 0.20 -2.42 -0.00 0.00 -2.50 0.00 0.00 55.73 51.01 3pck s ARG 38 Cb 0.10 -3.77 0.03 0.00 0.06 0.00 0.00 34.95 31.38 3pck s ARG 38 CO 0.15 -1.17 1.41 -0.07 -2.50 0.00 0.00 175.30 173.11 3pck h LEU 39 N 7.24 0.41 -8.83 -0.88 4.07 -0.86 -3.45 115.31 113.01 3pck h LEU 39 Ca -0.03 -0.29 -0.69 0.00 0.08 0.00 0.00 57.88 56.95 3pck h LEU 39 Cb 0.97 -0.12 -0.25 0.00 1.08 0.00 0.00 40.66 42.34 3pck h LEU 39 CO 0.72 1.05 -0.80 0.00 -1.08 0.00 0.00 178.44 178.33 3pck s ALA 40 N -3.46 2.54 0.37 1.53 0.00 -1.19 -0.39 121.76 121.17 3pck s ALA 40 Ca -0.05 -1.01 -0.16 0.00 0.00 0.00 0.00 51.96 50.74 3pck s ALA 40 Cb 0.10 -0.87 -0.09 0.00 0.00 0.00 0.00 23.12 22.26 3pck s ALA 40 CO 0.84 0.54 0.81 0.15 0.00 0.00 0.00 175.76 178.10 3pck s LYS 41 N -0.68 4.03 0.54 0.00 1.02 0.45 -4.82 119.74 120.28 3pck s LYS 41 Ca 0.11 0.77 0.37 0.00 0.02 0.00 0.00 55.97 57.24 3pck s LYS 41 Cb -0.11 -2.34 1.56 0.00 -0.52 0.00 0.00 37.83 36.42 3pck s LYS 41 CO 0.00 0.06 1.80 -1.35 -0.92 0.00 0.00 175.35 174.94 3pck h PRO 42 N 1.96 0.00 -0.72 -1.68 0.11 -2.00 0.13 132.00 129.80 3pck h PRO 42 Ca -0.48 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3pck h PRO 42 Cb 1.18 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3pck h PRO 42 CO 0.64 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.03 3pck n ASP 43 N -4.17 3.82 -4.76 -2.05 5.75 -1.26 -4.92 116.55 108.96 3pck n ASP 43 Ca 0.26 -2.53 -0.40 0.00 -0.01 0.00 0.00 54.79 52.11 3pck n ASP 43 Cb 1.26 -0.59 -0.06 0.00 -1.03 0.00 0.00 41.12 40.71 3pck n ASP 43 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3pck s ALA 44 N -2.04 3.41 0.60 2.12 0.00 0.44 -5.03 121.76 121.26 3pck s ALA 44 Ca 0.34 0.37 -0.19 0.00 0.00 0.00 0.00 51.96 52.48 3pck s ALA 44 Cb 0.25 -3.01 -0.03 0.00 0.00 0.00 0.00 23.12 20.33 3pck s ALA 44 CO 0.11 0.20 1.23 -1.25 0.00 0.00 0.00 175.76 176.05 3pck s PRO 45 N -0.76 2.91 0.00 0.00 0.04 -1.26 -4.87 135.00 131.06 3pck s PRO 45 Ca 0.38 1.89 0.00 0.00 0.04 0.00 0.00 61.00 63.31 3pck s PRO 45 Cb -0.23 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.38 3pck s PRO 45 CO 0.26 -1.27 0.00 0.41 0.04 0.00 0.00 177.00 176.44 3pck n GLY 46 N 0.60 -2.54 3.52 0.56 0.00 -1.26 -4.63 105.19 101.44 3pck n GLY 46 Ca 0.14 -2.18 -0.43 0.00 0.00 0.00 0.00 46.02 43.55 3pck n GLY 46 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3pck s GLU 47 N -0.89 3.30 0.19 1.61 2.12 -1.26 -4.97 118.70 118.80 3pck s GLU 47 Ca 0.00 -0.29 -0.31 0.00 0.36 0.00 0.00 54.97 54.73 3pck s GLU 47 Cb 0.00 -4.10 -0.09 0.00 0.26 0.00 0.00 34.13 30.20 3pck s GLU 47 CO 0.00 -1.66 1.43 -1.01 -0.54 0.00 0.00 175.26 173.48 3pck s HIS 48 N 4.35 3.14 0.05 5.30 3.76 -1.26 -1.60 115.29 129.03 3pck s HIS 48 Ca 0.31 0.96 -0.02 0.00 -0.15 0.00 0.00 55.06 56.16 3pck s HIS 48 Cb -0.12 -3.76 -0.03 0.00 1.11 0.00 0.00 32.58 29.78 3pck s HIS 48 CO 0.18 -2.60 0.01 0.96 -0.85 0.00 0.00 174.74 172.45 3pck s ILE 49 N 0.55 0.19 -0.14 0.60 -4.36 0.67 -4.62 121.20 114.10 3pck s ILE 49 Ca 0.62 -1.58 -0.01 0.00 -0.26 0.00 0.00 60.65 59.43 3pck s ILE 49 Cb -0.40 -1.33 -0.02 0.00 1.25 0.00 0.00 42.46 41.96 3pck s ILE 49 CO 0.36 -0.87 -0.10 -0.22 0.24 0.00 0.00 174.94 174.35 3pck s LEU 50 N -2.72 2.89 -0.05 0.37 2.96 -0.68 -2.07 118.68 119.38 3pck s LEU 50 Ca 0.04 -0.26 0.04 0.00 -0.22 0.00 0.00 54.13 53.73 3pck s LEU 50 Cb 0.05 -1.67 -0.02 0.00 0.50 0.00 0.00 46.19 45.05 3pck s LEU 50 CO -0.09 0.17 -0.16 -0.76 -1.32 0.00 0.00 176.35 174.19 3pck s LEU 51 N 0.34 2.65 0.12 -0.68 1.43 0.16 -1.12 118.68 121.59 3pck s LEU 51 Ca -0.09 -0.24 -0.14 0.00 -1.03 0.00 0.00 54.13 52.64 3pck s LEU 51 Cb -0.15 -1.53 0.02 0.00 0.03 0.00 0.00 46.19 44.56 3pck s LEU 51 CO 0.05 0.33 0.35 -1.48 0.23 0.00 0.00 176.35 175.83 3pck s LEU 52 N -0.66 0.65 -0.08 1.79 -0.00 -0.28 -0.90 118.68 119.20 3pck s LEU 52 Ca 0.10 -0.42 -0.32 0.00 -0.00 0.00 0.00 54.13 53.49 3pck s LEU 52 Cb -0.11 1.64 0.12 0.00 -0.00 0.00 0.00 46.19 47.84 3pck s LEU 52 CO 0.01 -0.83 1.39 -0.83 -0.00 0.00 0.00 176.35 176.08 3pck s GLY 53 N -2.83 -0.36 0.20 -3.48 0.00 -1.11 -0.59 107.32 99.16 3pck s GLY 53 Ca 0.04 0.57 0.09 0.00 0.00 0.00 0.00 44.72 45.42 3pck s GLY 53 CO -0.11 3.09 -0.17 1.20 0.00 0.00 0.00 173.10 177.11 3pck s GLN 54 N -2.05 1.37 -0.12 2.90 -0.21 -1.26 -1.48 119.66 118.82 3pck s GLN 54 Ca 0.22 -1.56 0.02 0.00 0.02 0.00 0.00 55.36 54.06 3pck s GLN 54 Cb 0.04 -1.31 0.01 0.00 1.00 0.00 0.00 33.01 32.76 3pck s GLN 54 CO -0.05 0.24 -0.17 0.08 -2.12 0.00 0.00 175.29 173.28 3pck s VAL 55 N -2.58 1.63 0.09 1.09 1.01 -1.26 -0.51 120.40 119.88 3pck s VAL 55 Ca 0.22 -0.71 0.07 0.00 0.00 0.00 0.00 61.98 61.55 3pck s VAL 55 Cb -0.03 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 3pck s VAL 55 CO 0.08 0.47 -0.11 -0.31 0.00 0.00 0.00 175.10 175.23 3pck s TYR 56 N 1.01 2.73 0.74 5.22 1.51 0.12 0.08 117.35 128.75 3pck s TYR 56 Ca -0.05 -0.16 -0.02 0.00 -1.01 0.00 0.00 57.07 55.83 3pck s TYR 56 Cb -0.15 -1.44 0.14 0.00 -0.11 0.00 0.00 41.96 40.39 3pck s TYR 56 CO -0.03 0.41 1.02 0.16 -1.11 0.00 0.00 175.55 176.01 3pck s ASP 57 N -2.10 4.23 0.65 2.29 1.47 -0.33 -1.62 116.67 121.25 3pck s ASP 57 Ca 0.20 -0.33 0.43 0.00 1.18 0.00 0.00 52.55 54.03 3pck s ASP 57 Cb -0.11 -0.01 2.25 0.00 -0.34 0.00 0.00 42.92 44.72 3pck s ASP 57 CO 0.13 -1.95 2.31 1.23 0.68 0.00 0.00 175.17 177.57 3pck h GLY 58 N -0.62 0.00 0.01 2.12 0.00 -1.89 -1.63 103.07 101.06 3pck h GLY 58 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.96 3pck h GLY 58 CO 0.40 0.00 -0.39 0.70 0.00 0.00 0.00 176.54 177.25 3pck n ASN 59 N -3.09 1.21 0.00 0.19 3.02 -1.26 -4.74 115.26 110.59 3pck n ASN 59 Ca -0.02 -0.97 0.00 0.00 -0.03 0.00 0.00 54.58 53.55 3pck n ASN 59 Cb 0.11 0.29 0.00 0.00 -0.61 0.00 0.00 39.78 39.57 3pck n ASN 59 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3pck n GLY 60 N 1.39 0.60 3.85 7.41 0.00 -0.61 -5.05 105.19 112.78 3pck n GLY 60 Ca 0.10 -0.29 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 3pck n GLY 60 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3pck s HIS 61 N -2.00 3.58 0.39 1.61 3.76 -1.26 -4.80 115.29 116.57 3pck s HIS 61 Ca 0.00 0.95 -0.27 0.00 -0.15 0.00 0.00 55.06 55.59 3pck s HIS 61 Cb 0.00 -2.28 -0.09 0.00 1.11 0.00 0.00 32.58 31.32 3pck s HIS 61 CO 0.00 0.45 1.32 -0.51 -0.85 0.00 0.00 174.74 175.14 3pck s LEU 62 N -2.02 4.25 -0.45 0.89 1.43 -1.26 -1.19 118.68 120.33 3pck s LEU 62 Ca 0.37 2.69 -0.14 0.00 -1.03 0.00 0.00 54.13 56.02 3pck s LEU 62 Cb -0.14 -3.85 0.07 0.00 0.03 0.00 0.00 46.19 42.29 3pck s LEU 62 CO 0.19 -0.81 0.34 -0.69 0.23 0.00 0.00 176.35 175.61 3pck s VAL 63 N -1.23 4.97 -2.28 -1.59 1.01 0.11 -4.85 120.40 116.53 3pck s VAL 63 Ca 0.55 -1.08 0.21 0.00 0.00 0.00 0.00 61.98 61.66 3pck s VAL 63 Cb -0.39 -3.95 0.46 0.00 0.00 0.00 0.00 36.38 32.51 3pck s VAL 63 CO 0.50 -0.51 1.45 0.54 0.00 0.00 0.00 175.10 177.08 3pck n ARG 64 N 5.12 2.30 -0.24 2.72 1.74 -1.26 -4.18 116.66 122.86 3pck n ARG 64 Ca -0.12 -1.97 0.08 0.00 -0.77 0.00 0.00 57.85 55.07 3pck n ARG 64 Cb 0.44 -1.47 0.13 0.00 -1.02 0.00 0.00 32.46 30.54 3pck n ARG 64 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3pck n ASP 65 N 1.15 1.96 -4.78 0.55 5.68 -1.26 -3.94 116.55 115.91 3pck n ASP 65 Ca 0.19 -3.07 -0.37 0.00 -0.50 0.00 0.00 54.79 51.03 3pck n ASP 65 Cb 0.51 -0.42 -0.04 0.00 -1.14 0.00 0.00 41.12 40.03 3pck n ASP 65 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3pck s SER 66 N -2.71 6.92 -0.06 -1.12 1.04 -1.26 -4.62 113.70 111.89 3pck s SER 66 Ca 0.29 2.07 0.05 0.00 0.48 0.00 0.00 55.95 58.85 3pck s SER 66 Cb 0.27 -2.59 -0.00 0.00 0.10 0.00 0.00 66.02 63.79 3pck s SER 66 CO 0.01 -0.38 -0.21 0.12 0.98 0.00 0.00 173.24 173.75 3pck s PHE 67 N -1.54 2.13 0.07 5.02 5.36 -0.41 -2.29 117.98 126.32 3pck s PHE 67 Ca 0.54 -0.70 0.06 0.00 -0.96 0.00 0.00 56.93 55.87 3pck s PHE 67 Cb -0.24 -1.43 -0.03 0.00 -0.34 0.00 0.00 43.02 40.99 3pck s PHE 67 CO 0.30 -0.25 -0.16 -0.51 -1.46 0.00 0.00 175.22 173.15 3pck s LEU 68 N 0.08 2.24 -0.02 6.12 1.02 -0.40 -0.90 118.68 126.82 3pck s LEU 68 Ca -0.08 -0.58 0.03 0.00 0.02 0.00 0.00 54.13 53.52 3pck s LEU 68 Cb -0.14 -0.63 0.00 0.00 0.02 0.00 0.00 46.19 45.44 3pck s LEU 68 CO 0.04 -0.01 -0.10 -1.61 0.02 0.00 0.00 176.35 174.70 3pck s GLU 69 N -1.56 1.00 0.13 1.70 2.02 -0.66 -1.65 118.70 119.68 3pck s GLU 69 Ca 0.01 -0.34 0.09 0.00 0.02 0.00 0.00 54.97 54.76 3pck s GLU 69 Cb -0.09 -0.93 -0.04 0.00 0.10 0.00 0.00 34.13 33.17 3pck s GLU 69 CO 0.02 0.14 -0.22 0.14 0.02 0.00 0.00 175.26 175.36 3pck s VAL 70 N 0.11 1.94 -0.16 2.63 -7.23 -0.74 -1.46 120.40 115.49 3pck s VAL 70 Ca -0.02 -1.71 -0.05 0.00 -1.81 0.00 0.00 61.98 58.39 3pck s VAL 70 Cb -0.08 -1.78 0.08 0.00 0.56 0.00 0.00 36.38 35.16 3pck s VAL 70 CO 0.00 -0.07 0.29 0.86 -0.31 0.00 0.00 175.10 175.88 3pck s TRP 71 N -1.33 -0.50 0.11 2.82 -0.11 -0.82 -2.24 118.94 116.87 3pck s TRP 71 Ca 0.11 0.99 -0.11 0.00 1.22 0.00 0.00 56.10 58.32 3pck s TRP 71 Cb -0.09 -0.00 0.01 0.00 -1.50 0.00 0.00 33.47 31.88 3pck s TRP 71 CO 0.06 -0.43 0.26 1.14 -4.62 0.00 0.00 176.95 173.36 3pck s GLN 72 N 2.45 0.95 0.68 5.86 -2.07 -0.53 -1.32 119.66 125.68 3pck s GLN 72 Ca 0.02 -0.93 -0.11 0.00 -1.82 0.00 0.00 55.36 52.52 3pck s GLN 72 Cb -0.13 0.38 0.00 0.00 -1.09 0.00 0.00 33.01 32.18 3pck s GLN 72 CO -0.10 -0.33 1.07 0.00 -1.32 0.00 0.00 175.29 174.60 3pck s ALA 73 N -3.86 2.97 1.01 2.60 0.00 -1.26 -4.51 121.76 118.71 3pck s ALA 73 Ca 0.06 -0.33 -0.10 0.00 0.00 0.00 0.00 51.96 51.60 3pck s ALA 73 Cb 0.04 -3.00 0.13 0.00 0.00 0.00 0.00 23.12 20.30 3pck s ALA 73 CO -0.09 -1.02 0.76 -0.40 0.00 0.00 0.00 175.76 175.00 3pck n ASP 74 N -2.92 -0.09 0.28 0.00 5.68 0.33 -4.30 116.55 115.54 3pck n ASP 74 Ca 0.06 -1.24 0.13 0.00 -0.50 0.00 0.00 54.79 53.24 3pck n ASP 74 Cb 0.57 -0.59 0.83 0.00 -1.14 0.00 0.00 41.12 40.79 3pck n ASP 74 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3pck h ALA 75 N -1.93 1.56 -0.20 2.12 0.00 -1.82 0.11 119.26 119.10 3pck h ALA 75 Ca -0.25 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3pck h ALA 75 Cb 0.69 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3pck h ALA 75 CO 0.17 0.04 0.00 0.09 0.00 0.00 0.00 179.25 179.55 3pck n ASN 76 N -3.94 1.45 -1.26 0.00 3.02 -1.26 -3.56 115.26 109.71 3pck n ASN 76 Ca -0.03 -1.80 -0.07 0.00 -0.03 0.00 0.00 54.58 52.66 3pck n ASN 76 Cb 0.12 -0.13 0.02 0.00 -0.61 0.00 0.00 39.78 39.17 3pck n ASN 76 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3pck n GLY 77 N 1.03 0.46 3.23 7.41 0.00 -0.22 -4.78 105.19 112.31 3pck n GLY 77 Ca 0.13 -0.45 -0.31 0.00 0.00 0.00 0.00 46.02 45.39 3pck n GLY 77 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3pck s GLU 78 N -5.18 2.55 -0.32 1.61 2.12 -1.25 -4.66 118.70 113.56 3pck s GLU 78 Ca 0.14 -0.85 -0.21 0.00 0.36 0.00 0.00 54.97 54.41 3pck s GLU 78 Cb -0.06 -2.10 -0.00 0.00 0.26 0.00 0.00 34.13 32.23 3pck s GLU 78 CO 0.17 0.31 0.66 0.71 -0.54 0.00 0.00 175.26 176.57 3pck s TYR 79 N -0.00 3.19 -0.72 5.30 2.02 -1.26 0.12 117.35 125.99 3pck s TYR 79 Ca -0.07 0.54 -0.14 0.00 -0.37 0.00 0.00 57.07 57.03 3pck s TYR 79 Cb -0.15 -3.08 0.19 0.00 -0.40 0.00 0.00 41.96 38.52 3pck s TYR 79 CO 0.05 -0.54 0.66 -0.65 -1.57 0.00 0.00 175.55 173.50 3pck s GLN 80 N 2.70 3.35 0.36 -0.62 -1.52 -1.26 -4.91 119.66 117.76 3pck s GLN 80 Ca 0.26 -2.22 0.20 0.00 -1.95 0.00 0.00 55.36 51.66 3pck s GLN 80 Cb -0.15 -4.35 0.21 0.00 -0.22 0.00 0.00 33.01 28.50 3pck s GLN 80 CO 0.13 -1.30 1.47 0.38 -0.25 0.00 0.00 175.29 175.73 3pck h ASP 81 N 8.10 0.00 -1.81 5.90 2.03 -1.97 -3.28 116.42 125.40 3pck h ASP 81 Ca -0.03 0.00 -0.59 0.00 -0.73 0.00 0.00 57.03 55.68 3pck h ASP 81 Cb 1.06 0.00 -0.11 0.00 -0.83 0.00 0.00 39.33 39.45 3pck h ASP 81 CO 0.84 0.16 1.19 0.00 -1.03 0.00 0.00 179.24 180.41 3pck s ALA 82 N -3.14 2.83 -0.01 4.15 0.00 -1.26 -4.96 121.76 119.37 3pck s ALA 82 Ca 0.05 -1.97 -0.30 0.00 0.00 0.00 0.00 51.96 49.73 3pck s ALA 82 Cb 0.06 -4.33 -0.06 0.00 0.00 0.00 0.00 23.12 18.80 3pck s ALA 82 CO 0.71 -3.37 1.44 -0.47 0.00 0.00 0.00 175.76 174.08 3pck s TYR 83 N 4.91 2.73 -0.20 0.00 5.04 -1.26 -5.01 117.35 123.57 3pck s TYR 83 Ca 0.39 0.72 -0.11 0.00 -2.44 0.00 0.00 57.07 55.63 3pck s TYR 83 Cb -0.05 -3.71 0.06 0.00 0.35 0.00 0.00 41.96 38.62 3pck s TYR 83 CO 0.00 -2.68 0.49 1.21 -1.34 0.00 0.00 175.55 173.23 3pck s ASN 84 N 2.06 -0.63 0.60 4.32 3.84 -1.26 -5.03 114.94 118.84 3pck s ASN 84 Ca 0.65 1.06 0.38 0.00 0.21 0.00 0.00 52.86 55.16 3pck s ASN 84 Cb -0.32 0.95 1.82 0.00 -0.55 0.00 0.00 41.25 43.15 3pck s ASN 84 CO 0.27 -0.20 2.15 -0.07 -2.79 0.00 0.00 177.10 176.46 3pck h LEU 85 N 6.99 0.00 -0.48 3.21 3.38 -1.97 -2.06 115.31 124.37 3pck h LEU 85 Ca -0.34 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.52 3pck h LEU 85 Cb 1.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 3pck h LEU 85 CO 0.25 0.01 -0.50 -0.33 0.09 0.00 0.00 178.44 177.97 3pck h GLU 86 N 0.00 0.00 -7.16 1.13 5.08 -2.00 -3.46 114.58 108.18 3pck h GLU 86 Ca -0.00 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.82 3pck h GLU 86 Cb 0.29 0.00 0.15 0.00 0.50 0.00 0.00 28.75 29.69 3pck h GLU 86 CO 0.00 0.50 0.42 -0.80 -1.00 0.00 0.00 179.01 178.13 3pck s ASN 87 N -6.49 4.37 0.34 1.42 0.01 -0.78 -4.91 114.94 108.90 3pck s ASN 87 Ca 0.02 2.41 0.20 0.00 -0.71 0.00 0.00 52.86 54.77 3pck s ASN 87 Cb 0.10 -2.60 0.18 0.00 0.41 0.00 0.00 41.25 39.34 3pck s ASN 87 CO 0.72 -2.15 1.46 0.00 -1.51 0.00 0.00 177.10 175.63 3pck h ALA 88 N -0.02 0.81 -3.30 0.60 0.00 -1.88 -3.44 119.26 112.03 3pck h ALA 88 Ca -0.49 -0.22 -0.23 0.00 0.00 0.00 0.00 54.91 53.97 3pck h ALA 88 Cb 1.30 -0.02 -0.30 0.00 0.00 0.00 0.00 17.79 18.78 3pck h ALA 88 CO 0.51 0.29 -0.59 0.12 0.00 0.00 0.00 179.25 179.58 3pck s PHE 89 N -3.11 -0.16 -0.05 0.00 5.36 -1.26 0.17 117.98 118.93 3pck s PHE 89 Ca 0.05 0.45 0.03 0.00 -0.96 0.00 0.00 56.93 56.50 3pck s PHE 89 Cb 0.07 -0.04 0.00 0.00 -0.34 0.00 0.00 43.02 42.70 3pck s PHE 89 CO 0.72 -0.14 -0.16 -0.80 -1.46 0.00 0.00 175.22 173.38 3pck s ASN 90 N 0.85 2.06 0.47 6.13 0.01 0.48 -4.96 114.94 119.99 3pck s ASN 90 Ca -0.06 -0.34 0.27 0.00 -0.71 0.00 0.00 52.86 52.01 3pck s ASN 90 Cb -0.08 -0.73 0.98 0.00 0.41 0.00 0.00 41.25 41.83 3pck s ASN 90 CO -0.04 0.11 1.84 0.28 -1.51 0.00 0.00 177.10 177.78 3pck h SER 91 N 6.54 0.00 -3.68 -1.22 0.02 -1.79 -3.44 113.55 109.97 3pck h SER 91 Ca -0.31 0.00 -0.68 0.00 -0.84 0.00 0.00 61.79 59.96 3pck h SER 91 Cb 1.18 0.00 -0.19 0.00 0.14 0.00 0.00 62.40 63.53 3pck h SER 91 CO 0.48 0.13 -0.70 0.12 -1.14 0.00 0.00 176.83 175.72 3pck s PHE 92 N -3.58 2.92 0.25 3.45 5.36 -1.26 -1.46 117.98 123.66 3pck s PHE 92 Ca 0.02 -0.01 -0.13 0.00 -0.96 0.00 0.00 56.93 55.85 3pck s PHE 92 Cb 0.09 -1.71 -0.00 0.00 -0.34 0.00 0.00 43.02 41.06 3pck s PHE 92 CO 0.61 0.31 0.49 0.20 -1.46 0.00 0.00 175.22 175.37 3pck s GLY 93 N -0.76 0.49 0.02 13.12 0.00 -0.95 -4.87 107.32 114.37 3pck s GLY 93 Ca 0.12 -0.84 0.00 0.00 0.00 0.00 0.00 44.72 44.00 3pck s GLY 93 CO 0.01 -0.60 -0.03 0.50 0.00 0.00 0.00 173.10 172.99 3pck s ARG 94 N -4.01 0.27 0.23 2.90 0.52 -0.74 -1.80 118.95 116.32 3pck s ARG 94 Ca 0.22 -0.45 -0.14 0.00 -0.52 0.00 0.00 55.73 54.84 3pck s ARG 94 Cb -0.01 -0.00 0.00 0.00 0.52 0.00 0.00 34.95 35.46 3pck s ARG 94 CO 0.09 -0.01 0.48 -0.08 0.02 0.00 0.00 175.30 175.80 3pck s THR 95 N -1.00 0.01 0.07 0.02 -1.32 -0.66 -1.23 115.64 111.53 3pck s THR 95 Ca -0.10 -1.22 -0.22 0.00 -1.21 0.00 0.00 61.69 58.94 3pck s THR 95 Cb -0.07 -1.99 0.05 0.00 -1.51 0.00 0.00 72.50 68.98 3pck s THR 95 CO -0.01 -0.07 0.51 0.00 -2.21 0.00 0.00 174.62 172.85 3pck s ALA 96 N -3.97 -1.30 0.12 11.08 0.00 -1.26 -1.27 121.76 125.16 3pck s ALA 96 Ca 0.18 0.51 -0.22 0.00 0.00 0.00 0.00 51.96 52.43 3pck s ALA 96 Cb -0.01 0.46 -0.07 0.00 0.00 0.00 0.00 23.12 23.50 3pck s ALA 96 CO 0.05 -0.54 0.66 0.95 0.00 0.00 0.00 175.76 176.88 3pck s THR 97 N -2.72 4.58 0.26 0.00 -4.23 -0.97 -4.31 115.64 108.24 3pck s THR 97 Ca -0.04 1.41 -0.31 0.00 -1.18 0.00 0.00 61.69 61.58 3pck s THR 97 Cb -0.00 -3.99 -0.11 0.00 1.34 0.00 0.00 72.50 69.73 3pck s THR 97 CO -0.04 0.52 1.63 0.42 -0.54 0.00 0.00 174.62 176.61 3pck s THR 98 N -1.15 2.11 -0.08 3.99 -4.23 -1.11 -4.55 115.64 110.61 3pck s THR 98 Ca 0.33 0.09 0.28 0.00 -1.18 0.00 0.00 61.69 61.20 3pck s THR 98 Cb -0.21 -3.05 0.29 0.00 1.34 0.00 0.00 72.50 70.87 3pck s THR 98 CO 0.22 0.01 1.85 -0.26 -0.54 0.00 0.00 174.62 175.90 3pck h PHE 99 N 5.62 0.00 0.00 3.99 0.04 -1.95 0.92 116.94 125.56 3pck h PHE 99 Ca -0.45 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.32 3pck h PHE 99 Cb 1.21 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.36 3pck h PHE 99 CO 0.61 0.00 0.00 -0.40 -0.60 0.00 0.00 178.31 177.92 3pck n ASP 100 N -2.52 0.00 -0.51 2.17 5.75 -1.26 -4.74 116.55 115.44 3pck n ASP 100 Ca -0.00 0.00 0.42 0.00 -0.01 0.00 0.00 54.79 55.20 3pck n ASP 100 Cb 0.14 0.00 0.70 0.00 -1.03 0.00 0.00 41.12 40.92 3pck n ASP 100 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3pck n ALA 101 N -3.00 1.45 -2.87 2.12 0.00 -1.26 -4.82 120.51 112.14 3pck n ALA 101 Ca 0.00 0.81 -0.09 0.00 0.00 0.00 0.00 53.44 54.16 3pck n ALA 101 Cb 0.00 -1.06 0.03 0.00 0.00 0.00 0.00 19.45 18.42 3pck n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3pck n GLY 102 N -1.59 0.32 3.27 0.00 0.00 0.32 -4.92 105.19 102.57 3pck n GLY 102 Ca 0.41 -0.30 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 3pck n GLY 102 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3pck s GLU 103 N -5.34 1.86 0.29 1.61 2.12 -1.26 -4.44 118.70 113.55 3pck s GLU 103 Ca 0.19 -0.84 0.08 0.00 0.36 0.00 0.00 54.97 54.76 3pck s GLU 103 Cb -0.08 -1.82 -0.04 0.00 0.26 0.00 0.00 34.13 32.45 3pck s GLU 103 CO 0.29 0.50 0.14 1.67 -0.54 0.00 0.00 175.26 177.32 3pck s TRP 104 N -0.56 2.87 0.03 5.30 1.48 -0.55 -2.75 118.94 124.77 3pck s TRP 104 Ca 0.09 -0.23 -0.06 0.00 -1.06 0.00 0.00 56.10 54.83 3pck s TRP 104 Cb -0.09 -1.46 -0.01 0.00 -1.16 0.00 0.00 33.47 30.76 3pck s TRP 104 CO -0.01 0.45 0.12 0.95 -4.06 0.00 0.00 176.95 174.41 3pck s THR 105 N -2.28 0.12 -0.03 0.66 -4.23 -1.26 -2.77 115.64 105.85 3pck s THR 105 Ca 0.35 -0.96 -0.02 0.00 -1.18 0.00 0.00 61.69 59.88 3pck s THR 105 Cb -0.06 -0.76 0.01 0.00 1.34 0.00 0.00 72.50 73.03 3pck s THR 105 CO 0.23 -0.53 0.08 -0.76 -0.54 0.00 0.00 174.62 173.11 3pck s LEU 106 N -1.91 1.53 -0.29 4.79 1.43 -0.07 -4.84 118.68 119.31 3pck s LEU 106 Ca -0.08 0.16 -0.04 0.00 -1.03 0.00 0.00 54.13 53.14 3pck s LEU 106 Cb -0.03 0.24 0.03 0.00 0.03 0.00 0.00 46.19 46.46 3pck s LEU 106 CO -0.03 -0.05 0.02 -1.00 0.23 0.00 0.00 176.35 175.52 3pck s HIS 107 N 0.28 3.16 0.00 0.29 3.76 0.13 -0.66 115.29 122.24 3pck s HIS 107 Ca -0.02 -1.39 0.00 0.00 -0.15 0.00 0.00 55.06 53.50 3pck s HIS 107 Cb -0.03 -2.17 0.00 0.00 1.11 0.00 0.00 32.58 31.49 3pck s HIS 107 CO -0.01 -0.69 0.00 -2.37 -0.85 0.00 0.00 174.74 170.82 3pck n THR 108 N 4.75 0.00 -4.37 1.30 5.66 -0.88 -0.19 114.28 120.54 3pck n THR 108 Ca -0.15 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.63 3pck n THR 108 Cb 0.46 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.13 3pck n THR 108 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 3pck s VAL 109 N -2.65 2.01 0.00 1.08 -7.23 -1.26 -0.24 120.40 112.11 3pck s VAL 109 Ca 0.00 -2.05 -0.30 0.00 -1.81 0.00 0.00 61.98 57.81 3pck s VAL 109 Cb 0.00 -1.99 -0.06 0.00 0.56 0.00 0.00 36.38 34.89 3pck s VAL 109 CO 0.00 -0.33 1.47 -0.75 -0.31 0.00 0.00 175.10 175.18 3pck s LYS 110 N -3.00 4.25 0.38 4.82 2.20 -0.63 -4.89 119.74 122.88 3pck s LYS 110 Ca 0.20 2.04 -0.25 0.00 -0.36 0.00 0.00 55.97 57.60 3pck s LYS 110 Cb -0.05 -3.62 -0.09 0.00 -1.51 0.00 0.00 37.83 32.56 3pck s LYS 110 CO 0.08 -0.64 1.11 -1.25 -0.36 0.00 0.00 175.35 174.29 3pck s PRO 111 N 2.63 4.20 0.91 4.03 0.04 -1.26 -4.05 135.00 141.49 3pck s PRO 111 Ca 0.66 1.69 -0.14 0.00 0.04 0.00 0.00 61.00 63.26 3pck s PRO 111 Cb -0.33 -2.71 0.14 0.00 0.04 0.00 0.00 34.50 31.65 3pck s PRO 111 CO 0.27 -0.15 1.20 0.20 0.04 0.00 0.00 177.00 178.56 3pck s GLY 112 N -1.28 1.64 0.14 0.56 0.00 0.21 -4.68 107.32 103.91 3pck s GLY 112 Ca 0.55 -0.79 -0.30 0.00 0.00 0.00 0.00 44.72 44.19 3pck s GLY 112 CO 0.34 -0.17 1.03 0.14 0.00 0.00 0.00 173.10 174.44 3pck s VAL 113 N -3.54 4.19 0.14 1.40 1.01 -1.26 -4.37 120.40 117.97 3pck s VAL 113 Ca 0.66 1.84 0.09 0.00 0.00 0.00 0.00 61.98 64.58 3pck s VAL 113 Cb -0.10 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.06 3pck s VAL 113 CO 0.52 0.29 -0.22 0.68 0.00 0.00 0.00 175.10 176.37 3pck s VAL 114 N -0.07 1.98 0.21 2.92 -7.23 -1.26 -4.53 120.40 112.41 3pck s VAL 114 Ca 0.48 -1.78 -0.02 0.00 -1.81 0.00 0.00 61.98 58.85 3pck s VAL 114 Cb -0.26 -1.84 -0.05 0.00 0.56 0.00 0.00 36.38 34.79 3pck s VAL 114 CO 0.32 -0.11 0.42 0.20 -0.31 0.00 0.00 175.10 175.62 3pck s ASN 115 N -2.29 6.42 0.96 4.85 0.01 -1.26 -0.68 114.94 122.95 3pck s ASN 115 Ca 0.13 0.50 -0.15 0.00 -0.71 0.00 0.00 52.86 52.64 3pck s ASN 115 Cb -0.08 -2.05 0.22 0.00 0.41 0.00 0.00 41.25 39.74 3pck s ASN 115 CO 0.06 -0.05 1.31 -0.46 -1.51 0.00 0.00 177.10 176.45 3pck n ASN 116 N -0.55 0.28 0.08 -1.22 0.23 0.24 -4.88 115.26 109.44 3pck n ASN 116 Ca -0.04 -1.58 0.12 0.00 -0.53 0.00 0.00 54.58 52.55 3pck n ASN 116 Cb 0.53 -0.98 0.60 0.00 -2.08 0.00 0.00 39.78 37.85 3pck n ASN 116 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3pck h ALA 117 N -1.63 2.12 -0.02 -2.53 0.00 -2.00 -1.32 119.26 113.89 3pck h ALA 117 Ca -0.42 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3pck h ALA 117 Cb 1.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3pck h ALA 117 CO 0.32 -0.20 0.00 0.00 0.00 0.00 0.00 179.25 179.36 3pck n ALA 118 N -2.56 2.63 -0.46 0.00 0.00 -1.26 -4.90 120.51 113.96 3pck n ALA 118 Ca 0.04 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.20 3pck n ALA 118 Cb 0.31 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.40 3pck n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3pck n GLY 119 N 1.03 0.75 3.72 0.00 0.00 -0.50 -5.05 105.19 105.13 3pck n GLY 119 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 3pck n GLY 119 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3pck s VAL 120 N -2.54 5.12 0.26 1.61 1.01 -1.26 -4.72 120.40 119.88 3pck s VAL 120 Ca 0.00 1.17 -0.30 0.00 0.00 0.00 0.00 61.98 62.86 3pck s VAL 120 Cb 0.00 -3.92 -0.10 0.00 0.00 0.00 0.00 36.38 32.36 3pck s VAL 120 CO 0.00 0.28 1.34 -2.16 0.00 0.00 0.00 175.10 174.56 3pck s PRO 121 N 0.78 4.36 0.04 2.72 0.04 -1.26 0.82 135.00 142.49 3pck s PRO 121 Ca 0.31 2.16 -0.01 0.00 0.04 0.00 0.00 61.00 63.50 3pck s PRO 121 Cb -0.16 -3.13 -0.04 0.00 0.04 0.00 0.00 34.50 31.20 3pck s PRO 121 CO 0.14 -0.26 0.20 -1.64 0.04 0.00 0.00 177.00 175.48 3pck s MET 122 N -0.75 3.44 0.55 4.56 -1.94 0.14 -4.44 119.30 120.86 3pck s MET 122 Ca 0.54 -0.40 -0.20 0.00 -1.71 0.00 0.00 55.69 53.93 3pck s MET 122 Cb -0.39 -3.06 -0.05 0.00 2.01 0.00 0.00 34.83 33.34 3pck s MET 122 CO 0.44 0.63 1.16 0.00 -0.01 0.00 0.00 175.02 177.24 3pck s ALA 123 N -1.45 2.68 0.18 3.03 0.00 -1.26 -4.11 121.76 120.82 3pck s ALA 123 Ca 0.33 0.90 -0.33 0.00 0.00 0.00 0.00 51.96 52.86 3pck s ALA 123 Cb -0.13 -3.39 -0.15 0.00 0.00 0.00 0.00 23.12 19.44 3pck s ALA 123 CO 0.25 -0.89 1.20 -2.30 0.00 0.00 0.00 175.76 174.03 3pck n PRO 124 N -1.31 1.27 -3.44 0.00 -0.02 -1.26 -4.88 135.00 125.36 3pck n PRO 124 Ca 0.12 0.45 -0.12 0.00 -2.02 0.00 0.00 63.50 61.93 3pck n PRO 124 Cb 0.50 -1.98 -0.02 0.00 -0.02 0.00 0.00 33.50 31.98 3pck n PRO 124 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 3pck s HIS 125 N -0.14 -0.51 -0.08 6.00 -3.43 -1.26 -4.43 115.29 111.43 3pck s HIS 125 Ca 0.73 0.31 0.05 0.00 -0.80 0.00 0.00 55.06 55.35 3pck s HIS 125 Cb -0.83 0.53 -0.00 0.00 -1.43 0.00 0.00 32.58 30.85 3pck s HIS 125 CO 0.52 -0.83 -0.24 0.42 -2.00 0.00 0.00 174.74 172.60 3pck s ILE 126 N -3.71 2.02 -0.03 -5.38 1.01 -0.50 -4.62 121.20 109.99 3pck s ILE 126 Ca 0.01 -1.02 -0.25 0.00 0.00 0.00 0.00 60.65 59.40 3pck s ILE 126 Cb -0.01 -1.73 -0.04 0.00 0.01 0.00 0.00 42.46 40.69 3pck s ILE 126 CO -0.13 0.56 0.75 0.20 0.00 0.00 0.00 174.94 176.32 3pck s ASN 127 N 0.13 7.08 -0.03 3.58 0.01 -0.43 0.10 114.94 125.38 3pck s ASN 127 Ca -0.12 1.30 0.05 0.00 -0.71 0.00 0.00 52.86 53.38 3pck s ASN 127 Cb -0.16 -2.44 -0.01 0.00 0.41 0.00 0.00 41.25 39.05 3pck s ASN 127 CO 0.07 -0.11 -0.17 -0.63 -1.51 0.00 0.00 177.10 174.75 3pck s ILE 128 N 0.65 1.41 -0.14 0.60 1.01 0.09 -1.95 121.20 122.87 3pck s ILE 128 Ca 0.40 -0.72 0.02 0.00 0.00 0.00 0.00 60.65 60.35 3pck s ILE 128 Cb -0.19 -1.20 0.01 0.00 0.01 0.00 0.00 42.46 41.09 3pck s ILE 128 CO 0.20 0.40 -0.20 -0.44 0.00 0.00 0.00 174.94 174.90 3pck s SER 129 N -0.10 3.26 -0.18 3.58 0.01 -0.54 -0.54 113.70 119.20 3pck s SER 129 Ca -0.01 -0.56 -0.04 0.00 1.31 0.00 0.00 55.95 56.66 3pck s SER 129 Cb -0.10 -1.47 -0.02 0.00 0.21 0.00 0.00 66.02 64.64 3pck s SER 129 CO 0.01 0.10 -0.04 -0.22 0.41 0.00 0.00 173.24 173.50 3pck s LEU 130 N 0.73 3.11 0.15 2.44 2.96 0.54 -1.66 118.68 126.95 3pck s LEU 130 Ca -0.08 -0.22 0.10 0.00 -0.22 0.00 0.00 54.13 53.71 3pck s LEU 130 Cb -0.16 -1.76 -0.04 0.00 0.50 0.00 0.00 46.19 44.73 3pck s LEU 130 CO 0.00 0.11 -0.24 -0.36 -1.32 0.00 0.00 176.35 174.53 3pck s PHE 131 N 0.74 2.17 0.00 5.38 0.40 -0.08 -2.32 117.98 124.27 3pck s PHE 131 Ca -0.02 -0.39 0.00 0.00 -0.60 0.00 0.00 56.93 55.92 3pck s PHE 131 Cb -0.15 -1.14 0.00 0.00 0.51 0.00 0.00 43.02 42.24 3pck s PHE 131 CO 0.02 0.36 0.00 0.00 0.70 0.00 0.00 175.22 176.30 3pck n ALA 132 N 0.71 0.00 -1.62 5.36 0.00 -1.26 -1.29 120.51 122.41 3pck n ALA 132 Ca -0.16 0.00 -0.47 0.00 0.00 0.00 0.00 53.44 52.81 3pck n ALA 132 Cb 0.54 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.96 3pck n ALA 132 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3pck n ARG 133 N -0.49 1.56 -0.82 0.00 0.63 -1.24 0.03 116.66 116.32 3pck n ARG 133 Ca 0.00 0.55 0.00 0.00 -0.92 0.00 0.00 57.85 57.48 3pck n ARG 133 Cb 0.00 -2.11 0.00 0.00 0.45 0.00 0.00 32.46 30.80 3pck n ARG 133 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3pck n GLY 134 N 2.00 0.90 3.15 5.14 0.00 -1.26 -4.97 105.19 110.15 3pck n GLY 134 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 3pck n GLY 134 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3pck s ILE 135 N -3.58 3.28 0.15 -0.61 1.01 0.10 -4.97 121.20 116.58 3pck s ILE 135 Ca 0.00 -1.79 -0.11 0.00 0.00 0.00 0.00 60.65 58.75 3pck s ILE 135 Cb 0.00 -3.12 0.02 0.00 0.01 0.00 0.00 42.46 39.37 3pck s ILE 135 CO 0.00 -0.50 1.59 0.78 0.00 0.00 0.00 174.94 176.81 3pck h ASN 136 N 8.06 0.92 -3.50 3.58 2.35 -1.91 -3.32 115.58 121.76 3pck h ASN 136 Ca -0.16 -0.33 -0.32 0.00 -0.55 0.00 0.00 56.30 54.93 3pck h ASN 136 Cb 1.05 -0.25 -0.34 0.00 0.05 0.00 0.00 38.32 38.83 3pck h ASN 136 CO 0.65 1.04 -0.74 -0.51 -1.65 0.00 0.00 177.43 176.22 3pck s ILE 137 N -4.92 0.05 0.54 2.81 2.07 -1.26 -3.29 121.20 117.21 3pck s ILE 137 Ca -0.12 0.16 -0.20 0.00 -1.41 0.00 0.00 60.65 59.08 3pck s ILE 137 Cb 0.12 -0.18 -0.07 0.00 0.13 0.00 0.00 42.46 42.47 3pck s ILE 137 CO 0.84 0.12 1.01 0.00 -1.91 0.00 0.00 174.94 175.00 3pck n HIS 138 N 4.21 1.06 -3.76 3.50 1.44 -1.26 -5.00 115.22 115.40 3pck n HIS 138 Ca -0.26 0.47 -0.36 0.00 -2.01 0.00 0.00 57.72 55.55 3pck n HIS 138 Cb 0.50 -2.19 -0.07 0.00 0.12 0.00 0.00 29.99 28.35 3pck n HIS 138 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 3pck s LEU 139 N -1.67 4.31 -0.14 2.39 1.43 -0.98 -4.91 118.68 119.11 3pck s LEU 139 Ca 0.71 0.40 -0.06 0.00 -1.03 0.00 0.00 54.13 54.15 3pck s LEU 139 Cb -0.46 -2.14 -0.04 0.00 0.03 0.00 0.00 46.19 43.59 3pck s LEU 139 CO 0.51 0.28 0.06 -1.00 0.23 0.00 0.00 176.35 176.43 3pck s HIS 140 N -0.31 3.31 0.29 0.29 3.76 -1.26 -0.34 115.29 121.03 3pck s HIS 140 Ca 0.13 0.22 -0.08 0.00 -0.15 0.00 0.00 55.06 55.17 3pck s HIS 140 Cb -0.12 -1.97 -0.00 0.00 1.11 0.00 0.00 32.58 31.60 3pck s HIS 140 CO 0.02 0.38 0.46 -0.08 -0.85 0.00 0.00 174.74 174.67 3pck s THR 141 N -0.30 0.00 0.00 1.30 -1.32 0.30 -0.85 115.64 114.77 3pck s THR 141 Ca 0.09 -1.51 0.04 0.00 -1.21 0.00 0.00 61.69 59.10 3pck s THR 141 Cb -0.12 -2.43 -0.01 0.00 -1.51 0.00 0.00 72.50 68.43 3pck s THR 141 CO 0.02 0.00 -0.12 -0.13 -2.21 0.00 0.00 174.62 172.18 3pck s ARG 142 N -3.59 0.93 -0.25 7.08 0.52 -1.26 -0.73 118.95 121.65 3pck s ARG 142 Ca 0.26 -0.50 -0.09 0.00 -0.52 0.00 0.00 55.73 54.89 3pck s ARG 142 Cb -0.00 -0.90 -0.04 0.00 0.52 0.00 0.00 34.95 34.53 3pck s ARG 142 CO 0.13 0.24 0.11 -1.17 0.02 0.00 0.00 175.30 174.63 3pck s LEU 143 N -0.50 3.70 0.30 2.53 0.20 0.12 -4.77 118.68 120.26 3pck s LEU 143 Ca 0.03 -0.09 0.09 0.00 0.69 0.00 0.00 54.13 54.86 3pck s LEU 143 Cb -0.05 -2.00 -0.05 0.00 -0.43 0.00 0.00 46.19 43.66 3pck s LEU 143 CO -0.00 -0.00 0.01 -0.31 -0.29 0.00 0.00 176.35 175.75 3pck s TYR 144 N 1.45 2.61 -0.14 5.38 1.51 0.19 -1.41 117.35 126.94 3pck s TYR 144 Ca 0.06 -0.33 -0.02 0.00 -1.01 0.00 0.00 57.07 55.77 3pck s TYR 144 Cb -0.15 -1.35 -0.02 0.00 -0.11 0.00 0.00 41.96 40.33 3pck s TYR 144 CO 0.06 0.53 -0.09 -0.06 -1.11 0.00 0.00 175.55 174.88 3pck s PHE 145 N -2.42 2.90 0.62 2.71 0.08 -1.26 0.11 117.98 120.72 3pck s PHE 145 Ca 0.33 -0.50 0.34 0.00 0.12 0.00 0.00 56.93 57.22 3pck s PHE 145 Cb -0.04 -1.90 1.93 0.00 -0.57 0.00 0.00 43.02 42.45 3pck s PHE 145 CO 0.20 -0.14 2.20 0.38 -0.10 0.00 0.00 175.22 177.76 3pck h ASP 146 N 6.73 0.00 -0.34 1.36 2.03 -1.51 -0.28 116.42 124.41 3pck h ASP 146 Ca -0.28 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.02 3pck h ASP 146 Cb 1.20 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.70 3pck h ASP 146 CO 0.59 0.00 0.00 -0.90 -1.03 0.00 0.00 179.24 177.90 3pck n ASP 147 N -3.50 1.87 -1.83 4.15 5.68 -1.26 -3.88 116.55 117.79 3pck n ASP 147 Ca -0.01 -1.97 -0.20 0.00 -0.50 0.00 0.00 54.79 52.10 3pck n ASP 147 Cb 0.19 -0.22 0.05 0.00 -1.14 0.00 0.00 41.12 40.00 3pck n ASP 147 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3pck n GLU 148 N 0.52 3.27 -0.21 0.11 -0.58 -0.12 -4.84 120.64 118.79 3pck n GLU 148 Ca 0.12 -4.00 0.01 0.00 -0.42 0.00 0.00 57.16 52.88 3pck n GLU 148 Cb 0.30 -2.18 0.10 0.00 -0.57 0.00 0.00 31.44 29.09 3pck n GLU 148 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3pck h ALA 149 N 1.99 0.58 -0.63 0.62 0.00 -1.74 0.11 119.26 120.19 3pck h ALA 149 Ca 0.33 0.20 0.01 0.00 0.00 0.00 0.00 54.91 55.45 3pck h ALA 149 Cb 1.44 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 19.56 3pck h ALA 149 CO 0.69 -0.40 0.42 1.96 0.00 0.00 0.00 179.25 181.91 3pck h GLN 150 N 0.09 0.83 -0.20 0.00 4.20 -1.94 -0.68 115.11 117.42 3pck h GLN 150 Ca 0.33 -0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.92 3pck h GLN 150 Cb 0.53 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 28.12 3pck h GLN 150 CO -0.56 0.55 -0.13 0.00 -0.67 0.00 0.00 178.83 178.02 3pck h ALA 151 N 1.23 0.28 -0.96 3.87 0.00 -1.73 -3.21 119.26 118.75 3pck h ALA 151 Ca 0.23 -0.31 0.09 0.00 0.00 0.00 0.00 54.91 54.92 3pck h ALA 151 Cb -0.10 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.56 3pck h ALA 151 CO -0.05 0.15 0.61 -0.91 0.00 0.00 0.00 179.25 179.05 3pck h ASN 152 N 0.12 0.92 -0.13 0.00 2.35 -0.59 -1.40 115.58 116.84 3pck h ASN 152 Ca 0.04 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 3pck h ASN 152 Cb 0.64 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.84 3pck h ASN 152 CO 0.04 0.54 0.07 0.00 -1.65 0.00 0.00 177.43 176.43 3pck h ALA 153 N 1.52 1.81 -0.53 -0.83 0.00 -1.12 -2.94 119.26 117.16 3pck h ALA 153 Ca 0.44 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.30 3pck h ALA 153 Cb 0.34 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3pck h ALA 153 CO -0.19 0.16 0.00 1.63 0.00 0.00 0.00 179.25 180.85 3pck n LYS 154 N -4.47 2.96 -2.29 0.00 5.02 -0.57 -4.93 118.16 113.88 3pck n LYS 154 Ca -0.00 -2.46 -0.42 0.00 -2.02 0.00 0.00 58.31 53.41 3pck n LYS 154 Cb 0.11 -1.51 -0.03 0.00 -0.02 0.00 0.00 35.03 33.59 3pck n LYS 154 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3pck h PRO 156 N 7.78 0.26 0.03 0.00 0.13 -1.92 -1.58 132.00 136.69 3pck h PRO 156 Ca -0.36 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 64.75 3pck h PRO 156 Cb 1.17 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3pck h PRO 156 CO 0.90 0.17 -0.01 0.28 -0.23 0.00 0.00 178.00 179.11 3pck h VAL 157 N 0.26 1.39 -0.68 1.56 2.07 -1.94 -3.15 116.25 115.76 3pck h VAL 157 Ca 0.07 -1.43 0.03 0.00 0.82 0.00 0.00 66.70 66.19 3pck h VAL 157 Cb -0.02 2.32 -0.04 0.00 -1.52 0.00 0.00 31.29 32.04 3pck h VAL 157 CO -0.01 0.36 0.45 0.25 0.02 0.00 0.00 177.57 178.63 3pck h LEU 158 N -0.68 0.71 -0.62 2.57 5.85 -1.85 -1.46 115.31 119.83 3pck h LEU 158 Ca -0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3pck h LEU 158 Cb 0.62 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.48 3pck h LEU 158 CO 0.01 0.49 0.00 0.59 -0.34 0.00 0.00 178.44 179.19 3pck n ASN 159 N -4.46 0.47 0.19 1.25 3.02 -0.61 -1.55 115.26 113.56 3pck n ASN 159 Ca 0.08 0.63 0.12 0.00 -0.03 0.00 0.00 54.58 55.39 3pck n ASN 159 Cb 0.12 -0.73 0.13 0.00 -0.61 0.00 0.00 39.78 38.70 3pck n ASN 159 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3pck h LEU 160 N 0.00 0.00 -9.04 3.41 3.38 -1.22 -3.43 115.31 108.40 3pck h LEU 160 Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 3pck h LEU 160 Cb 0.26 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 3pck h LEU 160 CO 0.00 0.01 0.88 -0.63 0.09 0.00 0.00 178.44 178.79 3pck s ILE 161 N -3.24 4.40 0.13 1.22 1.01 -0.60 -4.93 121.20 119.19 3pck s ILE 161 Ca 0.05 1.66 -0.27 0.00 0.00 0.00 0.00 60.65 62.09 3pck s ILE 161 Cb 0.06 -4.21 -0.05 0.00 0.01 0.00 0.00 42.46 38.27 3pck s ILE 161 CO 0.70 -0.30 1.62 -0.33 0.00 0.00 0.00 174.94 176.63 3pck h GLU 162 N 8.22 -0.42 -6.08 2.79 5.08 -1.87 -3.40 114.58 118.90 3pck h GLU 162 Ca -0.23 0.03 -0.60 0.00 -1.00 0.00 0.00 59.36 57.56 3pck h GLU 162 Cb 1.08 0.10 -0.10 0.00 0.50 0.00 0.00 28.75 30.33 3pck h GLU 162 CO 1.00 -0.28 0.56 -0.65 -1.00 0.00 0.00 179.01 178.64 3pck s GLN 163 N -6.02 3.70 0.35 2.33 -1.52 -1.26 -4.94 119.66 112.30 3pck s GLN 163 Ca -0.15 0.36 0.12 0.00 -1.95 0.00 0.00 55.36 53.74 3pck s GLN 163 Cb 0.09 -3.86 0.93 0.00 -0.22 0.00 0.00 33.01 29.96 3pck s GLN 163 CO 0.65 -1.05 1.77 -1.35 -0.25 0.00 0.00 175.29 175.06 3pck h PRO 164 N 8.74 0.54 0.00 2.91 0.11 -1.97 0.29 132.00 142.61 3pck h PRO 164 Ca -0.24 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.81 3pck h PRO 164 Cb 1.08 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.06 3pck h PRO 164 CO 0.99 0.36 -0.14 1.96 -0.21 0.00 0.00 178.00 180.96 3pck h GLN 165 N 0.56 0.00 0.00 1.05 7.50 -1.96 -2.39 115.11 119.87 3pck h GLN 165 Ca 0.60 0.00 -0.07 0.00 0.50 0.00 0.00 58.65 59.68 3pck h GLN 165 Cb 1.22 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.74 3pck h GLN 165 CO -0.36 0.14 -0.32 0.00 -1.50 0.00 0.00 178.83 176.78 3pck h ARG 166 N 0.00 0.00 -0.39 1.46 3.08 -0.83 -3.10 114.38 114.60 3pck h ARG 166 Ca -0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 3pck h ARG 166 Cb 0.25 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 3pck h ARG 166 CO 0.02 0.32 0.03 0.00 -1.07 0.00 0.00 179.97 179.27 3pck h ARG 167 N 0.00 0.60 -0.53 0.04 3.08 -1.39 -2.65 114.38 113.53 3pck h ARG 167 Ca -0.00 -0.13 0.10 0.00 0.07 0.00 0.00 59.98 60.02 3pck h ARG 167 Cb 1.00 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.93 3pck h ARG 167 CO 0.04 0.61 0.36 0.93 -1.07 0.00 0.00 179.97 180.84 3pck h GLU 168 N 0.58 0.27 0.00 0.04 5.08 -1.60 -1.88 114.58 117.07 3pck h GLU 168 Ca 0.12 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3pck h GLU 168 Cb 0.33 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 3pck h GLU 168 CO 0.01 0.18 -0.00 1.79 -1.00 0.00 0.00 179.01 179.99 3pck h THR 169 N 0.28 0.11 -0.02 1.13 1.35 -1.64 -2.20 112.91 111.93 3pck h THR 169 Ca 0.25 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 66.08 3pck h THR 169 Cb 0.60 1.03 0.00 0.00 -1.73 0.00 0.00 68.15 68.04 3pck h THR 169 CO -0.05 0.00 -0.15 0.18 -0.25 0.00 0.00 175.52 175.25 3pck n LEU 170 N -3.24 1.78 -4.54 3.87 4.77 -0.70 -4.82 117.00 114.11 3pck n LEU 170 Ca -0.03 -0.58 -0.41 0.00 -0.03 0.00 0.00 56.01 54.96 3pck n LEU 170 Cb 0.08 -0.03 -0.09 0.00 -2.33 0.00 0.00 43.42 41.05 3pck n LEU 170 CO 0.22 0.31 0.04 -0.63 -1.33 0.00 0.00 177.39 175.99 3pck s ILE 171 N -2.21 5.17 0.32 -0.08 1.01 -0.83 -0.64 121.20 123.93 3pck s ILE 171 Ca 0.29 0.05 -0.28 0.00 0.00 0.00 0.00 60.65 60.71 3pck s ILE 171 Cb 0.20 -3.83 -0.09 0.00 0.01 0.00 0.00 42.46 38.75 3pck s ILE 171 CO 0.42 -0.10 1.14 0.00 0.00 0.00 0.00 174.94 176.40 3pck s ALA 172 N 2.02 3.35 -0.34 9.38 0.00 0.29 -4.83 121.76 131.64 3pck s ALA 172 Ca 0.12 0.95 -0.15 0.00 0.00 0.00 0.00 51.96 52.87 3pck s ALA 172 Cb -0.17 -3.35 -0.01 0.00 0.00 0.00 0.00 23.12 19.59 3pck s ALA 172 CO 0.12 -0.30 0.37 0.15 0.00 0.00 0.00 175.76 176.10 3pck s LYS 173 N -1.74 3.59 0.30 0.00 1.02 -0.52 -1.28 119.74 121.11 3pck s LYS 173 Ca 0.48 -0.38 -0.29 0.00 0.02 0.00 0.00 55.97 55.80 3pck s LYS 173 Cb -0.32 -3.80 -0.10 0.00 -0.52 0.00 0.00 37.83 33.09 3pck s LYS 173 CO 0.41 -0.52 1.32 0.50 -0.92 0.00 0.00 175.35 176.14 3pck s ARG 174 N 2.04 4.36 0.00 1.68 3.52 -1.26 -1.60 118.95 127.69 3pck s ARG 174 Ca 0.12 2.19 0.00 0.00 -0.13 0.00 0.00 55.73 57.91 3pck s ARG 174 Cb -0.16 -3.10 0.00 0.00 -1.56 0.00 0.00 34.95 30.13 3pck s ARG 174 CO 0.12 -0.21 0.00 0.00 -0.81 0.00 0.00 175.30 174.39 3pck s GLU 176 N 0.83 0.38 -0.15 0.00 2.12 -1.26 -1.37 118.70 119.25 3pck s GLU 176 Ca 0.00 0.52 -0.00 0.00 0.36 0.00 0.00 54.97 55.84 3pck s GLU 176 Cb 0.00 0.14 0.03 0.00 0.26 0.00 0.00 34.13 34.56 3pck s GLU 176 CO 0.00 -0.07 -0.08 0.08 -0.54 0.00 0.00 175.26 174.65 3pck s VAL 177 N 0.42 1.23 -1.48 3.70 1.01 0.22 -4.76 120.40 120.74 3pck s VAL 177 Ca -0.02 -0.59 -0.11 0.00 0.00 0.00 0.00 61.98 61.26 3pck s VAL 177 Cb -0.04 -1.31 0.07 0.00 0.00 0.00 0.00 36.38 35.10 3pck s VAL 177 CO -0.02 0.25 0.94 0.47 0.00 0.00 0.00 175.10 176.74 3pck n ASP 178 N 4.85 -4.21 -0.26 3.32 8.00 -1.26 -0.42 116.55 126.57 3pck n ASP 178 Ca -0.13 -0.77 -0.03 0.00 0.71 0.00 0.00 54.79 54.56 3pck n ASP 178 Cb 0.48 -3.98 -0.01 0.00 -0.02 0.00 0.00 41.12 37.59 3pck n ASP 178 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3pck n GLY 179 N -1.69 0.58 3.58 0.44 0.00 -1.26 -5.01 105.19 101.83 3pck n GLY 179 Ca -0.02 -0.25 -0.31 0.00 0.00 0.00 0.00 46.02 45.44 3pck n GLY 179 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3pck s LYS 180 N -1.56 2.37 -0.03 1.61 2.20 0.44 -5.08 119.74 119.68 3pck s LYS 180 Ca 0.00 -0.85 -0.30 0.00 -0.36 0.00 0.00 55.97 54.46 3pck s LYS 180 Cb 0.00 -2.41 -0.05 0.00 -1.51 0.00 0.00 37.83 33.86 3pck s LYS 180 CO 0.00 0.56 1.52 0.99 -0.36 0.00 0.00 175.35 178.06 3pck s THR 181 N -1.08 3.64 0.11 3.43 2.01 -1.26 0.73 115.64 123.23 3pck s THR 181 Ca 0.19 0.92 0.05 0.00 0.31 0.00 0.00 61.69 63.16 3pck s THR 181 Cb -0.11 -3.59 -0.04 0.00 0.01 0.00 0.00 72.50 68.77 3pck s THR 181 CO 0.10 -0.04 -0.13 0.00 -0.69 0.00 0.00 174.62 173.85 3pck s ALA 182 N 3.21 1.41 -0.04 7.40 0.00 -0.47 -1.69 121.76 131.58 3pck s ALA 182 Ca 0.68 -1.26 0.01 0.00 0.00 0.00 0.00 51.96 51.39 3pck s ALA 182 Cb -0.32 -0.06 0.02 0.00 0.00 0.00 0.00 23.12 22.76 3pck s ALA 182 CO 0.27 0.08 -0.02 0.71 0.00 0.00 0.00 175.76 176.80 3pck s TYR 183 N -2.12 0.60 -0.20 0.00 1.51 -0.27 0.11 117.35 116.97 3pck s TYR 183 Ca 0.08 -0.13 -0.13 0.00 -1.01 0.00 0.00 57.07 55.88 3pck s TYR 183 Cb -0.05 -0.60 -0.05 0.00 -0.11 0.00 0.00 41.96 41.16 3pck s TYR 183 CO 0.02 -0.19 0.25 0.50 -1.11 0.00 0.00 175.55 175.03 3pck s ARG 184 N 1.09 4.17 -0.32 -0.62 3.52 -0.62 -1.13 118.95 125.04 3pck s ARG 184 Ca -0.09 -0.04 -0.02 0.00 -0.13 0.00 0.00 55.73 55.46 3pck s ARG 184 Cb -0.14 -3.49 0.11 0.00 -1.56 0.00 0.00 34.95 29.87 3pck s ARG 184 CO -0.01 0.12 0.14 0.12 -0.81 0.00 0.00 175.30 174.86 3pck s PHE 185 N 0.84 1.06 0.10 5.12 5.36 0.24 -1.44 117.98 129.27 3pck s PHE 185 Ca 0.13 -1.47 -0.15 0.00 -0.96 0.00 0.00 56.93 54.49 3pck s PHE 185 Cb -0.13 -1.31 -0.07 0.00 -0.34 0.00 0.00 43.02 41.18 3pck s PHE 185 CO 0.04 -0.84 0.51 -0.51 -1.46 0.00 0.00 175.22 172.96 3pck s ASP 186 N 1.59 6.84 -0.22 6.13 1.01 -1.26 -4.02 116.67 126.75 3pck s ASP 186 Ca 0.12 1.06 -0.03 0.00 0.71 0.00 0.00 52.55 54.41 3pck s ASP 186 Cb -0.18 -2.28 0.00 0.00 1.01 0.00 0.00 42.92 41.47 3pck s ASP 186 CO -0.23 0.17 -0.07 -0.63 0.21 0.00 0.00 175.17 174.62 3pck s ILE 187 N -1.34 3.09 -0.38 0.77 1.01 0.34 -4.96 121.20 119.73 3pck s ILE 187 Ca 0.34 -0.63 -0.09 0.00 0.00 0.00 0.00 60.65 60.27 3pck s ILE 187 Cb -0.16 -2.41 0.05 0.00 0.01 0.00 0.00 42.46 39.95 3pck s ILE 187 CO 0.18 0.42 0.19 -0.13 0.00 0.00 0.00 174.94 175.60 3pck s ARG 188 N 1.43 2.65 0.19 2.79 0.52 -1.26 0.13 118.95 125.40 3pck s ARG 188 Ca 0.05 -1.26 -0.10 0.00 -0.52 0.00 0.00 55.73 53.90 3pck s ARG 188 Cb -0.14 -3.65 0.09 0.00 0.52 0.00 0.00 34.95 31.77 3pck s ARG 188 CO -0.05 -0.78 1.70 0.82 0.02 0.00 0.00 175.30 177.01 3pck h ILE 189 N 6.07 1.26 -2.99 1.52 2.04 -1.60 -0.36 117.51 123.45 3pck h ILE 189 Ca -0.23 -0.92 -0.12 0.00 1.00 0.00 0.00 64.86 64.58 3pck h ILE 189 Cb 1.09 0.60 -0.21 0.00 -0.74 0.00 0.00 36.82 37.55 3pck h ILE 189 CO 0.67 0.35 -0.29 -1.58 0.00 0.00 0.00 178.15 177.31 3pck s GLN 190 N -5.34 0.59 1.40 2.37 0.74 -1.26 -4.76 119.66 113.39 3pck s GLN 190 Ca -0.12 0.01 0.00 0.00 0.05 0.00 0.00 55.36 55.30 3pck s GLN 190 Cb 0.14 0.27 0.00 0.00 1.10 0.00 0.00 33.01 34.51 3pck s GLN 190 CO 0.83 -0.14 0.00 0.41 -0.55 0.00 0.00 175.29 175.84 3pck n GLY 191 N 1.77 -0.33 3.68 2.59 0.00 -1.26 -4.12 105.19 107.52 3pck n GLY 191 Ca -0.19 -1.50 -0.54 0.00 0.00 0.00 0.00 46.02 43.79 3pck n GLY 191 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3pck n GLU 192 N 0.00 1.46 -1.96 1.61 -0.00 -1.26 -0.44 120.64 120.05 3pck n GLU 192 Ca 0.00 0.53 -0.12 0.00 -0.00 0.00 0.00 57.16 57.57 3pck n GLU 192 Cb 0.00 -2.25 -0.02 0.00 -0.00 0.00 0.00 31.44 29.17 3pck n GLU 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3pck n GLY 193 N 3.92 0.31 3.65 -1.84 0.00 -1.26 -4.95 105.19 105.03 3pck n GLY 193 Ca 0.24 -0.40 -0.46 0.00 0.00 0.00 0.00 46.02 45.40 3pck n GLY 193 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3pck n GLU 194 N -2.32 1.87 -2.52 1.61 2.13 0.42 -4.64 120.64 117.20 3pck n GLU 194 Ca -0.14 0.67 -0.39 0.00 0.66 0.00 0.00 57.16 57.95 3pck n GLU 194 Cb 0.55 -2.30 -0.04 0.00 0.27 0.00 0.00 31.44 29.91 3pck n GLU 194 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 3pck s THR 195 N -0.07 3.60 0.07 6.31 2.01 -0.14 -4.93 115.64 122.49 3pck s THR 195 Ca 0.69 1.52 -0.31 0.00 0.31 0.00 0.00 61.69 63.91 3pck s THR 195 Cb -0.69 -3.93 -0.08 0.00 0.01 0.00 0.00 72.50 67.80 3pck s THR 195 CO 0.50 0.30 1.63 -0.69 -0.69 0.00 0.00 174.62 175.67 3pck s VAL 196 N -1.27 3.03 0.01 3.82 1.01 -1.26 -4.95 120.40 120.80 3pck s VAL 196 Ca 0.47 0.51 0.06 0.00 0.00 0.00 0.00 61.98 63.02 3pck s VAL 196 Cb -0.29 -3.33 -0.03 0.00 0.00 0.00 0.00 36.38 32.73 3pck s VAL 196 CO 0.37 0.00 -0.16 -0.36 0.00 0.00 0.00 175.10 174.95 3pck s PHE 197 N 2.49 2.62 0.32 5.22 0.08 -1.26 -4.67 117.98 122.78 3pck s PHE 197 Ca 0.73 -0.22 0.08 0.00 0.12 0.00 0.00 56.93 57.65 3pck s PHE 197 Cb -0.40 -1.52 -0.04 0.00 -0.57 0.00 0.00 43.02 40.49 3pck s PHE 197 CO 0.32 0.24 0.14 -0.06 -0.10 0.00 0.00 175.22 175.75 3pck s PHE 198 N -0.88 2.76 -0.04 0.36 0.08 -0.03 -4.99 117.98 115.24 3pck s PHE 198 Ca 0.14 -0.32 0.02 0.00 0.12 0.00 0.00 56.93 56.89 3pck s PHE 198 Cb -0.11 -1.55 0.02 0.00 -0.57 0.00 0.00 43.02 40.81 3pck s PHE 198 CO 0.04 0.39 -0.06 0.34 -0.10 0.00 0.00 175.22 175.83 3pck s ASP 199 N -3.83 1.08 0.00 1.36 2.15 -1.26 -4.31 116.67 111.86 3pck s ASP 199 Ca 0.36 -0.16 0.00 0.00 0.43 0.00 0.00 52.55 53.18 3pck s ASP 199 Cb -0.04 -0.47 0.00 0.00 -0.30 0.00 0.00 42.92 42.11 3pck s ASP 199 CO 0.23 -0.01 0.00 2.22 -0.17 0.00 0.00 175.17 177.43