#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 4.85 -0.09 4.25 -1.09 -1.26 -5.06 121.20 122.80 3pck s ILE 2 Ca 0.00 1.58 0.04 0.00 -2.23 0.00 0.00 60.65 60.04 3pck s ILE 2 Cb 0.00 -4.10 -0.01 0.00 -1.58 0.00 0.00 42.46 36.77 3pck s ILE 2 CO 0.00 0.32 -0.20 -1.61 -1.23 0.00 0.00 174.94 172.22 3pck s GLU 3 N 0.27 2.89 0.08 2.79 0.41 -1.26 -5.14 118.70 118.74 3pck s GLU 3 Ca 0.39 -0.81 0.01 0.00 -0.41 0.00 0.00 54.97 54.14 3pck s GLU 3 Cb -0.20 -2.35 0.01 0.00 -1.78 0.00 0.00 34.13 29.82 3pck s GLU 3 CO 0.22 0.33 0.10 1.28 -0.49 0.00 0.00 175.26 176.70 3pck n LEU 4 N 3.14 0.00 -4.76 1.80 4.32 -1.26 -5.05 117.00 115.19 3pck n LEU 4 Ca -0.18 -0.28 -0.40 0.00 -0.02 0.00 0.00 56.01 55.14 3pck n LEU 4 Cb 0.52 -0.06 -0.04 0.00 -1.62 0.00 0.00 43.42 42.22 3pck n LEU 4 CO 0.27 -0.54 0.80 -0.76 -1.22 0.00 0.00 177.39 175.95 3pck s LEU 5 N 0.00 4.47 0.39 2.23 1.43 -1.26 -4.99 118.68 120.96 3pck s LEU 5 Ca 0.07 2.29 -0.25 0.00 -1.03 0.00 0.00 54.13 55.21 3pck s LEU 5 Cb -0.01 -3.72 -0.09 0.00 0.03 0.00 0.00 46.19 42.41 3pck s LEU 5 CO 0.05 -0.25 1.15 -2.16 0.23 0.00 0.00 176.35 175.37 3pck s PRO 6 N -1.64 4.12 0.55 1.29 0.04 -1.26 -5.00 135.00 133.10 3pck s PRO 6 Ca 0.47 1.80 -0.18 0.00 0.04 0.00 0.00 61.00 63.13 3pck s PRO 6 Cb -0.31 -2.71 -0.05 0.00 0.04 0.00 0.00 34.50 31.46 3pck s PRO 6 CO 0.40 -0.25 1.08 -2.00 0.04 0.00 0.00 177.00 176.28 3pck s GLU 7 N -2.24 3.40 0.20 4.56 2.12 -1.26 -4.94 118.70 120.54 3pck s GLU 7 Ca 0.56 1.42 -0.31 0.00 0.36 0.00 0.00 54.97 57.00 3pck s GLU 7 Cb -0.30 -2.03 -0.11 0.00 0.26 0.00 0.00 34.13 31.95 3pck s GLU 7 CO 0.38 -0.77 1.60 0.99 -0.54 0.00 0.00 175.26 176.92 3pck s THR 8 N -2.05 2.41 0.51 -1.70 2.01 -1.26 -4.93 115.64 110.63 3pck s THR 8 Ca 0.68 0.30 -0.22 0.00 0.31 0.00 0.00 61.69 62.77 3pck s THR 8 Cb -0.20 -3.19 -0.06 0.00 0.01 0.00 0.00 72.50 69.06 3pck s THR 8 CO 0.29 0.03 1.26 -2.84 -0.69 0.00 0.00 174.62 172.67 3pck s PRO 9 N 0.86 3.42 0.56 4.92 0.02 -1.26 -5.01 135.00 138.51 3pck s PRO 9 Ca 0.70 1.99 -0.12 0.00 0.02 0.00 0.00 61.00 63.59 3pck s PRO 9 Cb -0.46 -2.31 -0.05 0.00 0.02 0.00 0.00 34.50 31.71 3pck s PRO 9 CO 0.34 -0.89 0.98 0.45 -0.33 0.00 0.00 177.00 177.55 3pck s SER 10 N -1.18 6.37 -0.02 2.53 0.15 -1.26 -5.09 113.70 115.19 3pck s SER 10 Ca 0.68 1.41 -0.07 0.00 0.70 0.00 0.00 55.95 58.67 3pck s SER 10 Cb -0.34 -2.46 0.01 0.00 -1.71 0.00 0.00 66.02 61.52 3pck s SER 10 CO 0.41 -0.73 0.16 -1.10 1.20 0.00 0.00 173.24 173.17 3pck s GLN 11 N -4.72 0.40 0.53 5.44 -1.52 -1.17 -4.88 119.66 113.73 3pck s GLN 11 Ca 0.55 -0.17 -0.20 0.00 -1.95 0.00 0.00 55.36 53.59 3pck s GLN 11 Cb -0.11 0.17 -0.09 0.00 -0.22 0.00 0.00 33.01 32.77 3pck s GLN 11 CO 0.45 -0.09 0.69 -2.37 -0.25 0.00 0.00 175.29 173.72 3pck n THR 12 N 1.95 2.47 0.17 -0.19 5.66 -1.17 -4.83 114.28 118.34 3pck n THR 12 Ca -0.19 -0.50 0.02 0.00 -3.05 0.00 0.00 64.05 60.33 3pck n THR 12 Cb 0.57 -0.82 0.28 0.00 -1.55 0.00 0.00 70.33 68.81 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 0.59 1.07 -0.03 1.79 0.00 -1.74 -3.50 119.26 117.44 3pck h ALA 13 Ca -0.45 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.04 3pck h ALA 13 Cb 1.38 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 3pck h ALA 13 CO 0.50 0.59 -0.01 0.41 0.00 0.00 0.00 179.25 180.74 3pck n GLY 14 N 0.08 -1.63 0.23 0.00 0.00 -1.26 -4.24 105.19 98.37 3pck n GLY 14 Ca -0.01 -1.52 0.12 0.00 0.00 0.00 0.00 46.02 44.61 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 -0.01 0.00 -0.69 1.61 0.13 -1.93 -3.24 132.00 127.87 3pck h PRO 15 Ca -0.00 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.07 3pck h PRO 15 Cb 0.01 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.11 3pck h PRO 15 CO 0.00 0.14 0.08 0.66 -0.23 0.00 0.00 178.00 178.65 3pck n TYR 16 N -3.23 1.93 -0.23 1.56 4.01 -1.26 -4.60 117.16 115.34 3pck n TYR 16 Ca 0.01 -0.76 0.25 0.00 -0.16 0.00 0.00 57.90 57.23 3pck n TYR 16 Cb 0.45 -0.51 0.62 0.00 -0.31 0.00 0.00 39.34 39.58 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 3.12 0.59 -0.67 -0.72 3.04 -1.73 -1.77 116.25 118.11 3pck h VAL 17 Ca 0.07 -0.07 0.05 0.00 -1.01 0.00 0.00 66.70 65.74 3pck h VAL 17 Cb 1.90 0.37 -0.04 0.00 -2.01 0.00 0.00 31.29 31.51 3pck h VAL 17 CO 0.50 0.04 0.44 0.45 -1.01 0.00 0.00 177.57 177.99 3pck h HIS 18 N 0.20 0.73 -0.61 3.17 3.86 -1.86 -0.45 115.15 120.19 3pck h HIS 18 Ca 0.47 0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.72 3pck h HIS 18 Cb 1.52 -0.24 -0.03 0.00 1.06 0.00 0.00 27.41 29.71 3pck h HIS 18 CO -0.00 0.41 0.40 -0.84 0.86 0.00 0.00 177.93 178.76 3pck h ILE 19 N 0.74 1.13 0.09 2.45 3.07 -1.56 0.22 117.51 123.64 3pck h ILE 19 Ca 0.28 -0.27 -0.35 0.00 1.55 0.00 0.00 64.86 66.07 3pck h ILE 19 Cb 0.17 0.27 -0.03 0.00 -0.27 0.00 0.00 36.82 36.97 3pck h ILE 19 CO -0.08 0.14 -1.93 0.61 -1.05 0.00 0.00 178.15 175.83 3pck n GLY 20 N -1.45 -0.68 0.17 0.16 0.00 -0.79 -4.54 105.19 98.07 3pck n GLY 20 Ca 0.07 -0.22 0.02 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 -3.35 1.30 -2.81 0.99 4.77 -0.25 -4.82 117.00 112.84 3pck n LEU 21 Ca -0.28 -0.96 -0.10 0.00 -0.03 0.00 0.00 56.01 54.63 3pck n LEU 21 Cb 1.05 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 42.21 3pck n LEU 21 CO 0.43 0.28 0.25 0.00 -1.33 0.00 0.00 177.39 177.02 3pck n ALA 22 N 0.16 -0.13 -0.32 -1.18 0.00 0.70 -4.96 120.51 114.78 3pck n ALA 22 Ca 0.03 -1.80 -0.08 0.00 0.00 0.00 0.00 53.44 51.58 3pck n ALA 22 Cb 0.11 -1.11 -0.07 0.00 0.00 0.00 0.00 19.45 18.38 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 0.28 -0.79 -0.04 0.00 4.32 -0.79 -0.44 117.00 119.54 3pck n LEU 23 Ca 0.09 1.35 -0.14 0.00 -0.02 0.00 0.00 56.01 57.29 3pck n LEU 23 Cb 0.70 -0.18 -0.08 0.00 -1.62 0.00 0.00 43.42 42.24 3pck n LEU 23 CO 0.06 -1.11 0.53 1.05 -1.22 0.00 0.00 177.39 176.71 3pck h GLU 24 N 0.00 -0.48 -1.00 3.23 -0.00 -1.86 -0.46 114.58 114.00 3pck h GLU 24 Ca 0.13 0.03 0.20 0.00 -0.00 0.00 0.00 59.36 59.72 3pck h GLU 24 Cb 0.32 0.11 -0.11 0.00 -0.00 0.00 0.00 28.75 29.07 3pck h GLU 24 CO -0.72 -0.32 0.61 0.00 -0.00 0.00 0.00 179.01 178.58 3pck h ALA 25 N -0.06 1.70 0.00 1.06 0.00 -1.07 1.88 119.26 122.77 3pck h ALA 25 Ca 0.06 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3pck h ALA 25 Cb 0.65 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3pck h ALA 25 CO -0.47 -0.09 0.00 0.00 0.00 0.00 0.00 179.25 178.68 3pck h ALA 26 N 1.66 1.00 -2.47 0.00 0.00 -0.31 -3.45 119.26 115.69 3pck h ALA 26 Ca 0.59 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.41 3pck h ALA 26 Cb 0.96 0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.79 3pck h ALA 26 CO -0.40 0.00 -0.18 0.41 0.00 0.00 0.00 179.25 179.08 3pck n GLY 27 N -0.83 0.46 3.37 0.00 0.00 0.64 -4.98 105.19 103.86 3pck n GLY 27 Ca -0.01 -0.40 -0.23 0.00 0.00 0.00 0.00 46.02 45.38 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 -3.18 2.99 0.52 1.61 0.01 -0.82 -5.03 114.94 111.04 3pck s ASN 28 Ca 0.09 -0.90 -0.23 0.00 -0.71 0.00 0.00 52.86 51.12 3pck s ASN 28 Cb -0.04 -0.20 -0.06 0.00 0.41 0.00 0.00 41.25 41.36 3pck s ASN 28 CO 0.18 0.01 1.35 -0.81 -1.51 0.00 0.00 177.10 176.32 3pck n PRO 29 N 0.13 1.80 -2.84 -0.60 -0.04 -1.26 -3.87 135.00 128.30 3pck n PRO 29 Ca -0.12 0.65 -0.19 0.00 -0.04 0.00 0.00 63.50 63.81 3pck n PRO 29 Cb 0.57 -2.55 0.03 0.00 -0.04 0.00 0.00 33.50 31.52 3pck n PRO 29 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3pck s THR 30 N -1.27 2.73 0.53 0.52 -4.23 -1.26 -4.84 115.64 107.82 3pck s THR 30 Ca 0.68 -0.85 0.07 0.00 -1.18 0.00 0.00 61.69 60.42 3pck s THR 30 Cb -0.43 -2.89 0.06 0.00 1.34 0.00 0.00 72.50 70.58 3pck s THR 30 CO 0.52 0.00 0.72 -0.13 -0.54 0.00 0.00 174.62 175.19 3pck s ARG 31 N -4.59 2.47 0.22 3.99 0.52 -1.26 -5.02 118.95 115.29 3pck s ARG 31 Ca 0.57 -1.35 -0.08 0.00 -0.52 0.00 0.00 55.73 54.35 3pck s ARG 31 Cb -0.09 -2.65 0.34 0.00 0.52 0.00 0.00 34.95 33.07 3pck s ARG 31 CO 0.36 -0.67 1.73 -0.44 0.02 0.00 0.00 175.30 176.30 3pck h ASP 32 N 0.28 0.18 -3.12 0.23 3.32 -2.07 -3.40 116.42 111.84 3pck h ASP 32 Ca -0.36 0.10 -0.64 0.00 0.02 0.00 0.00 57.03 56.15 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 0.43 0.09 -0.85 -1.10 -1.72 0.00 0.00 179.24 176.09 3pck s GLN 33 N -6.08 2.66 -0.00 3.56 -0.21 -1.26 -5.12 119.66 113.21 3pck s GLN 33 Ca -0.13 -0.70 0.06 0.00 0.02 0.00 0.00 55.36 54.61 3pck s GLN 33 Cb 0.18 -2.31 -0.02 0.00 1.00 0.00 0.00 33.01 31.86 3pck s GLN 33 CO 0.75 -0.18 -0.20 -1.21 -2.12 0.00 0.00 175.29 172.33 3pck s GLU 34 N 1.28 1.52 -0.43 2.91 0.41 -1.26 -5.10 118.70 118.03 3pck s GLU 34 Ca 0.03 -0.75 -0.23 0.00 -0.41 0.00 0.00 54.97 53.60 3pck s GLU 34 Cb -0.13 -1.51 0.02 0.00 -1.78 0.00 0.00 34.13 30.73 3pck s GLU 34 CO -0.10 0.41 0.80 0.42 -0.49 0.00 0.00 175.26 176.30 3pck s ILE 35 N -0.54 4.65 0.00 -1.63 1.01 -1.26 -5.00 121.20 118.43 3pck s ILE 35 Ca 0.07 0.58 0.00 0.00 0.00 0.00 0.00 60.65 61.31 3pck s ILE 35 Cb -0.08 -4.31 0.00 0.00 0.01 0.00 0.00 42.46 38.09 3pck s ILE 35 CO -0.00 -0.66 0.00 1.87 0.00 0.00 0.00 174.94 176.15 3pck n TRP 36 N 6.70 0.00 0.30 3.97 -0.00 -1.26 -4.60 117.44 122.54 3pck n TRP 36 Ca 0.03 0.00 0.03 0.00 -0.00 0.00 0.00 57.50 57.56 3pck n TRP 36 Cb 0.48 0.00 0.17 0.00 -0.00 0.00 0.00 31.31 31.96 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 2.83 -4.02 5.87 6.94 -0.45 -1.81 115.26 124.63 3pck n ASN 37 Ca 0.00 -2.34 -0.32 0.00 -0.02 0.00 0.00 54.58 51.89 3pck n ASN 37 Cb 0.00 -0.54 -0.13 0.00 -2.36 0.00 0.00 39.78 36.75 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 -1.72 1.89 0.21 -3.83 6.06 -1.26 -1.01 118.95 119.29 3pck s ARG 38 Ca 0.23 -2.25 0.10 0.00 -2.50 0.00 0.00 55.73 51.31 3pck s ARG 38 Cb 0.17 -3.37 0.05 0.00 0.06 0.00 0.00 34.95 31.86 3pck s ARG 38 CO 0.08 -1.06 1.43 -0.07 -2.50 0.00 0.00 175.30 173.18 3pck h LEU 39 N 7.15 0.00 -8.62 -0.88 4.07 -0.67 -3.46 115.31 112.91 3pck h LEU 39 Ca -0.06 0.00 -0.63 0.00 0.08 0.00 0.00 57.88 57.27 3pck h LEU 39 Cb 0.96 0.00 -0.26 0.00 1.08 0.00 0.00 40.66 42.44 3pck h LEU 39 CO 0.64 0.76 -0.86 0.00 -1.08 0.00 0.00 178.44 177.90 3pck s ALA 40 N -3.04 1.96 0.28 1.53 0.00 -1.18 -0.14 121.76 121.18 3pck s ALA 40 Ca 0.01 -1.13 -0.07 0.00 0.00 0.00 0.00 51.96 50.77 3pck s ALA 40 Cb 0.10 -0.41 -0.06 0.00 0.00 0.00 0.00 23.12 22.75 3pck s ALA 40 CO 0.78 0.46 0.57 0.15 0.00 0.00 0.00 175.76 177.72 3pck s LYS 41 N -1.14 3.71 0.47 0.00 1.02 0.81 -4.84 119.74 119.76 3pck s LYS 41 Ca 0.09 0.15 0.33 0.00 0.02 0.00 0.00 55.97 56.56 3pck s LYS 41 Cb -0.09 -2.62 1.46 0.00 -0.52 0.00 0.00 37.83 36.05 3pck s LYS 41 CO 0.02 0.23 1.65 -1.35 -0.92 0.00 0.00 175.35 174.98 3pck h PRO 42 N 1.95 0.09 -0.75 -1.68 0.11 -2.00 0.16 132.00 129.88 3pck h PRO 42 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3pck h PRO 42 Cb 1.18 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3pck h PRO 42 CO 0.67 0.06 0.00 -0.40 -0.21 0.00 0.00 178.00 178.12 3pck n ASP 43 N -4.49 3.48 -4.76 -2.05 5.75 -1.26 -4.91 116.55 108.31 3pck n ASP 43 Ca 0.36 -2.47 -0.39 0.00 -0.01 0.00 0.00 54.79 52.27 3pck n ASP 43 Cb 1.44 -0.58 -0.05 0.00 -1.03 0.00 0.00 41.12 40.90 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 -1.92 3.43 0.51 2.12 0.00 0.54 -5.04 121.76 121.39 3pck s ALA 44 Ca 0.29 0.24 -0.22 0.00 0.00 0.00 0.00 51.96 52.28 3pck s ALA 44 Cb 0.22 -2.92 -0.06 0.00 0.00 0.00 0.00 23.12 20.36 3pck s ALA 44 CO 0.09 0.16 1.20 -1.25 0.00 0.00 0.00 175.76 175.96 3pck s PRO 45 N -0.43 3.48 0.00 0.00 0.04 -1.26 -4.88 135.00 131.95 3pck s PRO 45 Ca 0.36 1.83 0.00 0.00 0.04 0.00 0.00 61.00 63.23 3pck s PRO 45 Cb -0.21 -2.25 0.00 0.00 0.04 0.00 0.00 34.50 32.09 3pck s PRO 45 CO 0.23 -0.80 0.00 0.41 0.04 0.00 0.00 177.00 176.87 3pck n GLY 46 N 0.45 1.02 3.60 0.56 0.00 -1.26 -4.55 105.19 105.02 3pck n GLY 46 Ca 0.09 -2.20 -0.42 0.00 0.00 0.00 0.00 46.02 43.49 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 -1.25 3.84 -0.05 1.61 2.12 -1.26 -4.98 118.70 118.73 3pck s GLU 47 Ca 0.00 0.46 -0.30 0.00 0.36 0.00 0.00 54.97 55.49 3pck s GLU 47 Cb 0.00 -3.78 -0.04 0.00 0.26 0.00 0.00 34.13 30.57 3pck s GLU 47 CO 0.00 -0.82 1.31 -1.01 -0.54 0.00 0.00 175.26 174.20 3pck s HIS 48 N 3.14 2.94 0.19 5.30 3.76 -1.26 -1.60 115.29 127.77 3pck s HIS 48 Ca 0.33 0.98 0.04 0.00 -0.15 0.00 0.00 55.06 56.26 3pck s HIS 48 Cb -0.13 -3.55 -0.05 0.00 1.11 0.00 0.00 32.58 29.96 3pck s HIS 48 CO 0.16 -1.95 -0.04 0.96 -0.85 0.00 0.00 174.74 173.02 3pck s ILE 49 N 2.57 1.08 -0.10 0.60 -4.36 0.48 -4.59 121.20 116.88 3pck s ILE 49 Ca 0.60 -2.04 0.03 0.00 -0.26 0.00 0.00 60.65 58.98 3pck s ILE 49 Cb -0.27 -2.14 -0.01 0.00 1.25 0.00 0.00 42.46 41.30 3pck s ILE 49 CO 0.23 -0.50 -0.21 -0.22 0.24 0.00 0.00 174.94 174.48 3pck s LEU 50 N -3.24 2.25 -0.12 0.37 2.96 -0.31 -2.39 118.68 118.19 3pck s LEU 50 Ca 0.24 -0.49 -0.00 0.00 -0.22 0.00 0.00 54.13 53.66 3pck s LEU 50 Cb 0.04 -1.45 -0.02 0.00 0.50 0.00 0.00 46.19 45.26 3pck s LEU 50 CO 0.05 0.18 -0.12 -0.76 -1.32 0.00 0.00 176.35 174.39 3pck s LEU 51 N 0.21 2.79 0.05 -0.68 1.43 -0.61 -0.63 118.68 121.24 3pck s LEU 51 Ca -0.13 -0.28 -0.11 0.00 -1.03 0.00 0.00 54.13 52.57 3pck s LEU 51 Cb -0.16 -1.63 0.01 0.00 0.03 0.00 0.00 46.19 44.44 3pck s LEU 51 CO 0.07 0.19 0.23 -1.48 0.23 0.00 0.00 176.35 175.59 3pck s LEU 52 N 0.22 1.19 -0.12 1.79 -0.00 -0.95 -0.25 118.68 120.56 3pck s LEU 52 Ca -0.08 -0.33 -0.33 0.00 -0.00 0.00 0.00 54.13 53.39 3pck s LEU 52 Cb -0.15 1.12 0.15 0.00 -0.00 0.00 0.00 46.19 47.30 3pck s LEU 52 CO 0.05 -0.60 1.43 -0.83 -0.00 0.00 0.00 176.35 176.40 3pck s GLY 53 N -2.16 -0.46 0.28 -3.48 0.00 -0.98 -0.95 107.32 99.56 3pck s GLY 53 Ca -0.04 1.07 0.11 0.00 0.00 0.00 0.00 44.72 45.86 3pck s GLY 53 CO -0.05 0.23 -0.10 1.20 0.00 0.00 0.00 173.10 174.39 3pck s GLN 54 N -2.05 1.96 -0.07 2.90 -0.21 -1.25 -1.13 119.66 119.81 3pck s GLN 54 Ca 0.15 -1.63 0.03 0.00 0.02 0.00 0.00 55.36 53.92 3pck s GLN 54 Cb 0.07 -1.94 0.01 0.00 1.00 0.00 0.00 33.01 32.15 3pck s GLN 54 CO -0.06 0.32 -0.14 0.08 -2.12 0.00 0.00 175.29 173.37 3pck s VAL 55 N -2.44 1.29 0.06 1.09 1.01 -1.26 -0.41 120.40 119.74 3pck s VAL 55 Ca 0.31 -0.58 0.08 0.00 0.00 0.00 0.00 61.98 61.79 3pck s VAL 55 Cb -0.05 -1.15 -0.03 0.00 0.00 0.00 0.00 36.38 35.15 3pck s VAL 55 CO 0.17 0.39 -0.21 -0.31 0.00 0.00 0.00 175.10 175.14 3pck s TYR 56 N 0.53 1.86 0.75 5.22 1.51 -0.18 -1.12 117.35 125.92 3pck s TYR 56 Ca -0.14 -0.39 -0.02 0.00 -1.01 0.00 0.00 57.07 55.52 3pck s TYR 56 Cb -0.15 -1.08 0.14 0.00 -0.11 0.00 0.00 41.96 40.75 3pck s TYR 56 CO 0.04 0.13 1.03 0.16 -1.11 0.00 0.00 175.55 175.80 3pck s ASP 57 N -1.36 4.17 0.31 2.29 1.47 -0.01 -1.25 116.67 122.29 3pck s ASP 57 Ca 0.08 -0.36 0.23 0.00 1.18 0.00 0.00 52.55 53.68 3pck s ASP 57 Cb -0.09 0.05 1.14 0.00 -0.34 0.00 0.00 42.92 43.67 3pck s ASP 57 CO 0.02 -1.99 1.70 0.61 0.68 0.00 0.00 175.17 176.19 3pck n GLY 58 N -2.94 -1.03 0.82 2.12 0.00 -1.26 -1.08 105.19 101.82 3pck n GLY 58 Ca 0.16 0.17 0.12 0.00 0.00 0.00 0.00 46.02 46.46 3pck n GLY 58 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3pck n ASN 59 N -2.28 2.62 0.00 1.61 3.02 -1.26 -4.75 115.26 114.21 3pck n ASN 59 Ca -0.00 -1.84 0.00 0.00 -0.03 0.00 0.00 54.58 52.71 3pck n ASN 59 Cb 0.11 0.06 0.00 0.00 -0.61 0.00 0.00 39.78 39.34 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 1.33 0.48 3.89 7.41 0.00 -0.24 -5.05 105.19 113.01 3pck n GLY 60 Ca 0.14 -0.73 -0.34 0.00 0.00 0.00 0.00 46.02 45.08 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 3.57 0.40 1.61 3.76 -1.26 -4.85 115.29 116.53 3pck s HIS 61 Ca 0.00 0.52 -0.26 0.00 -0.15 0.00 0.00 55.06 55.16 3pck s HIS 61 Cb 0.00 -1.95 -0.09 0.00 1.11 0.00 0.00 32.58 31.65 3pck s HIS 61 CO 0.00 0.63 1.34 -0.51 -0.85 0.00 0.00 174.74 175.35 3pck s LEU 62 N -1.73 4.23 -0.44 0.89 1.43 -1.26 -0.83 118.68 120.96 3pck s LEU 62 Ca 0.26 2.73 -0.10 0.00 -1.03 0.00 0.00 54.13 56.00 3pck s LEU 62 Cb -0.13 -3.86 0.09 0.00 0.03 0.00 0.00 46.19 42.32 3pck s LEU 62 CO 0.16 -0.87 0.30 -0.69 0.23 0.00 0.00 176.35 175.47 3pck s VAL 63 N -1.23 4.33 -2.25 -1.59 1.01 -0.27 -4.83 120.40 115.58 3pck s VAL 63 Ca 0.56 -1.46 0.19 0.00 0.00 0.00 0.00 61.98 61.28 3pck s VAL 63 Cb -0.40 -3.69 0.43 0.00 0.00 0.00 0.00 36.38 32.72 3pck s VAL 63 CO 0.52 -0.58 1.45 0.54 0.00 0.00 0.00 175.10 177.03 3pck n ARG 64 N 4.95 1.99 -0.11 2.72 1.74 -1.26 -4.09 116.66 122.61 3pck n ARG 64 Ca -0.10 -1.51 0.05 0.00 -0.77 0.00 0.00 57.85 55.52 3pck n ARG 64 Cb 0.42 -1.41 0.06 0.00 -1.02 0.00 0.00 32.46 30.52 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 0.73 1.68 -4.78 0.55 5.68 -1.26 -4.05 116.55 115.10 3pck n ASP 65 Ca 0.17 -2.41 -0.33 0.00 -0.50 0.00 0.00 54.79 51.72 3pck n ASP 65 Cb 0.41 -0.23 0.04 0.00 -1.14 0.00 0.00 41.12 40.20 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 -1.77 5.26 -0.03 -1.12 1.04 -1.26 -4.63 113.70 111.19 3pck s SER 66 Ca 0.15 1.92 0.02 0.00 0.48 0.00 0.00 55.95 58.52 3pck s SER 66 Cb 0.13 -2.54 0.01 0.00 0.10 0.00 0.00 66.02 63.72 3pck s SER 66 CO 0.01 -1.52 -0.07 0.12 0.98 0.00 0.00 173.24 172.77 3pck s PHE 67 N -2.44 0.82 0.01 5.02 5.36 -0.39 -2.77 117.98 123.58 3pck s PHE 67 Ca 0.65 -0.22 0.05 0.00 -0.96 0.00 0.00 56.93 56.45 3pck s PHE 67 Cb -0.19 -0.64 -0.01 0.00 -0.34 0.00 0.00 43.02 41.84 3pck s PHE 67 CO 0.42 -0.14 -0.14 -0.51 -1.46 0.00 0.00 175.22 173.39 3pck s LEU 68 N 0.49 2.07 -0.09 6.12 1.02 0.09 -1.08 118.68 127.30 3pck s LEU 68 Ca -0.07 -0.32 0.04 0.00 0.02 0.00 0.00 54.13 53.80 3pck s LEU 68 Cb -0.11 -0.69 -0.01 0.00 0.02 0.00 0.00 46.19 45.41 3pck s LEU 68 CO 0.00 0.13 -0.22 -1.61 0.02 0.00 0.00 176.35 174.67 3pck s GLU 69 N -0.59 2.91 0.02 1.70 2.02 -0.59 -1.08 118.70 123.10 3pck s GLU 69 Ca 0.04 -0.85 0.08 0.00 0.02 0.00 0.00 54.97 54.26 3pck s GLU 69 Cb -0.06 -2.31 -0.02 0.00 0.10 0.00 0.00 34.13 31.84 3pck s GLU 69 CO 0.00 0.27 -0.25 0.14 0.02 0.00 0.00 175.26 175.44 3pck s VAL 70 N 0.13 2.02 -0.05 2.63 -7.23 -0.30 -1.32 120.40 116.29 3pck s VAL 70 Ca -0.12 -1.24 0.01 0.00 -1.81 0.00 0.00 61.98 58.82 3pck s VAL 70 Cb -0.16 -1.71 0.02 0.00 0.56 0.00 0.00 36.38 35.09 3pck s VAL 70 CO 0.06 0.43 -0.05 0.86 -0.31 0.00 0.00 175.10 176.09 3pck s TRP 71 N -0.72 0.90 0.09 2.82 -0.11 -0.41 -1.80 118.94 119.72 3pck s TRP 71 Ca 0.10 -0.29 -0.19 0.00 1.22 0.00 0.00 56.10 56.94 3pck s TRP 71 Cb -0.10 -0.78 0.05 0.00 -1.50 0.00 0.00 33.47 31.14 3pck s TRP 71 CO 0.01 -0.24 0.47 1.14 -4.62 0.00 0.00 176.95 173.71 3pck s GLN 72 N 1.03 1.06 0.55 5.86 -2.07 -0.28 -1.07 119.66 124.74 3pck s GLN 72 Ca -0.09 -0.45 -0.08 0.00 -1.82 0.00 0.00 55.36 52.92 3pck s GLN 72 Cb -0.14 0.48 -0.03 0.00 -1.09 0.00 0.00 33.01 32.23 3pck s GLN 72 CO -0.00 -0.40 0.90 0.00 -1.32 0.00 0.00 175.29 174.46 3pck s ALA 73 N -3.10 3.26 1.01 2.60 0.00 -1.26 -4.44 121.76 119.84 3pck s ALA 73 Ca -0.02 -0.39 -0.05 0.00 0.00 0.00 0.00 51.96 51.50 3pck s ALA 73 Cb 0.00 -2.77 0.07 0.00 0.00 0.00 0.00 23.12 20.41 3pck s ALA 73 CO -0.07 -0.57 0.36 -0.40 0.00 0.00 0.00 175.76 175.07 3pck n ASP 74 N -2.51 -0.21 0.27 0.00 5.68 0.14 -4.32 116.55 115.60 3pck n ASP 74 Ca 0.03 -1.05 0.11 0.00 -0.50 0.00 0.00 54.79 53.38 3pck n ASP 74 Cb 0.55 -0.28 0.75 0.00 -1.14 0.00 0.00 41.12 41.01 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 -1.99 1.61 -0.18 2.12 0.00 -1.80 0.38 119.26 119.41 3pck h ALA 75 Ca -0.12 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3pck h ALA 75 Cb 0.33 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3pck h ALA 75 CO 0.08 0.07 0.00 0.09 0.00 0.00 0.00 179.25 179.49 3pck n ASN 76 N -4.04 1.25 -1.10 0.00 3.02 -1.26 -3.43 115.26 109.70 3pck n ASN 76 Ca -0.03 -1.79 -0.09 0.00 -0.03 0.00 0.00 54.58 52.65 3pck n ASN 76 Cb 0.14 -0.12 0.00 0.00 -0.61 0.00 0.00 39.78 39.20 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 0.97 0.09 3.47 7.41 0.00 -0.08 -4.78 105.19 112.27 3pck n GLY 77 Ca 0.12 -0.49 -0.33 0.00 0.00 0.00 0.00 46.02 45.32 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 -4.62 3.27 -0.31 1.61 2.12 -1.26 -4.60 118.70 114.91 3pck s GLU 78 Ca 0.04 -0.60 -0.24 0.00 0.36 0.00 0.00 54.97 54.54 3pck s GLU 78 Cb -0.02 -2.69 0.00 0.00 0.26 0.00 0.00 34.13 31.68 3pck s GLU 78 CO 0.05 0.36 0.80 0.71 -0.54 0.00 0.00 175.26 176.64 3pck s TYR 79 N 0.01 3.20 -0.55 5.30 2.02 -1.26 0.27 117.35 126.33 3pck s TYR 79 Ca -0.02 0.81 -0.17 0.00 -0.37 0.00 0.00 57.07 57.33 3pck s TYR 79 Cb -0.14 -3.24 0.12 0.00 -0.40 0.00 0.00 41.96 38.31 3pck s TYR 79 CO 0.03 -0.58 0.55 -0.65 -1.57 0.00 0.00 175.55 173.34 3pck s GLN 80 N 2.98 3.00 0.02 -0.62 -1.52 -1.26 -4.92 119.66 117.34 3pck s GLN 80 Ca 0.33 -1.60 0.09 0.00 -1.95 0.00 0.00 55.36 52.22 3pck s GLN 80 Cb -0.14 -4.29 -0.23 0.00 -0.22 0.00 0.00 33.01 28.13 3pck s GLN 80 CO 0.13 -1.38 0.90 0.38 -0.25 0.00 0.00 175.29 175.07 3pck h ASP 81 N 8.96 0.05 -0.80 5.90 2.03 -1.97 -3.25 116.42 127.34 3pck h ASP 81 Ca -0.30 -0.08 -0.34 0.00 -0.73 0.00 0.00 57.03 55.59 3pck h ASP 81 Cb 1.10 -0.02 -0.05 0.00 -0.83 0.00 0.00 39.33 39.53 3pck h ASP 81 CO 1.05 1.07 0.84 0.00 -1.03 0.00 0.00 179.24 181.17 3pck s ALA 82 N -2.64 1.80 0.07 4.15 0.00 -1.26 -4.93 121.76 118.95 3pck s ALA 82 Ca -0.03 -1.58 -0.31 0.00 0.00 0.00 0.00 51.96 50.04 3pck s ALA 82 Cb 0.09 -4.55 -0.07 0.00 0.00 0.00 0.00 23.12 18.58 3pck s ALA 82 CO 0.82 -4.65 1.50 -0.47 0.00 0.00 0.00 175.76 172.97 3pck s TYR 83 N 9.42 2.81 -0.24 0.00 5.04 -1.26 -5.01 117.35 128.11 3pck s TYR 83 Ca 0.67 0.65 -0.14 0.00 -2.44 0.00 0.00 57.07 55.82 3pck s TYR 83 Cb -0.06 -3.80 0.07 0.00 0.35 0.00 0.00 41.96 38.52 3pck s TYR 83 CO -0.01 -3.03 0.59 1.21 -1.34 0.00 0.00 175.55 172.96 3pck s ASN 84 N 1.82 -0.78 0.57 4.32 3.84 -1.26 -5.03 114.94 118.42 3pck s ASN 84 Ca 0.68 1.28 0.35 0.00 0.21 0.00 0.00 52.86 55.38 3pck s ASN 84 Cb -0.37 1.16 1.67 0.00 -0.55 0.00 0.00 41.25 43.16 3pck s ASN 84 CO 0.30 -0.22 2.11 -0.07 -2.79 0.00 0.00 177.10 176.42 3pck h LEU 85 N 7.01 0.00 -0.68 3.21 3.38 -1.98 -1.63 115.31 124.62 3pck h LEU 85 Ca -0.32 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.53 3pck h LEU 85 Cb 1.21 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.94 3pck h LEU 85 CO 0.21 0.05 -0.57 -0.33 0.09 0.00 0.00 178.44 177.88 3pck h GLU 86 N 0.00 0.00 -6.90 1.13 5.08 -2.00 -3.46 114.58 108.43 3pck h GLU 86 Ca -0.00 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.80 3pck h GLU 86 Cb 0.34 0.00 0.17 0.00 0.50 0.00 0.00 28.75 29.76 3pck h GLU 86 CO 0.01 0.57 0.13 0.09 -1.00 0.00 0.00 179.01 178.81 3pck n ASN 87 N -3.62 0.69 0.09 1.42 3.02 -0.62 -4.91 115.26 111.34 3pck n ASN 87 Ca -0.00 0.74 -0.01 0.00 -0.03 0.00 0.00 54.58 55.27 3pck n ASN 87 Cb 0.63 -1.41 -0.04 0.00 -0.61 0.00 0.00 39.78 38.35 3pck n ASN 87 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3pck h ALA 88 N 0.13 0.57 -3.17 5.41 0.00 -1.89 -3.45 119.26 116.87 3pck h ALA 88 Ca -0.48 -0.70 -0.18 0.00 0.00 0.00 0.00 54.91 53.55 3pck h ALA 88 Cb 1.35 -0.04 -0.27 0.00 0.00 0.00 0.00 17.79 18.83 3pck h ALA 88 CO 0.49 0.91 -0.48 0.12 0.00 0.00 0.00 179.25 180.29 3pck s PHE 89 N -2.86 -0.25 -0.07 0.00 5.36 -1.26 -0.14 117.98 118.76 3pck s PHE 89 Ca 0.02 0.62 0.04 0.00 -0.96 0.00 0.00 56.93 56.65 3pck s PHE 89 Cb 0.08 0.06 0.00 0.00 -0.34 0.00 0.00 43.02 42.83 3pck s PHE 89 CO 0.78 -0.15 -0.20 -0.80 -1.46 0.00 0.00 175.22 173.39 3pck s ASN 90 N 0.44 2.60 0.49 6.13 0.01 0.80 -4.95 114.94 120.47 3pck s ASN 90 Ca -0.03 -0.45 0.30 0.00 -0.71 0.00 0.00 52.86 51.97 3pck s ASN 90 Cb -0.04 -1.01 1.07 0.00 0.41 0.00 0.00 41.25 41.68 3pck s ASN 90 CO -0.02 0.15 1.87 0.28 -1.51 0.00 0.00 177.10 177.86 3pck h SER 91 N 6.56 0.00 -3.66 -1.22 0.02 -1.77 -3.43 113.55 110.04 3pck h SER 91 Ca -0.27 0.00 -0.68 0.00 -0.84 0.00 0.00 61.79 60.01 3pck h SER 91 Cb 1.20 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 63.53 3pck h SER 91 CO 0.47 0.00 -0.71 0.12 -1.14 0.00 0.00 176.83 175.57 3pck s PHE 92 N -3.51 2.89 0.25 3.45 5.36 -1.26 -1.12 117.98 124.04 3pck s PHE 92 Ca 0.03 -0.11 -0.07 0.00 -0.96 0.00 0.00 56.93 55.82 3pck s PHE 92 Cb 0.08 -1.74 -0.01 0.00 -0.34 0.00 0.00 43.02 41.01 3pck s PHE 92 CO 0.56 0.21 0.37 0.20 -1.46 0.00 0.00 175.22 175.10 3pck s GLY 93 N -0.54 1.04 0.02 13.12 0.00 -0.74 -4.87 107.32 115.35 3pck s GLY 93 Ca 0.08 -1.28 0.01 0.00 0.00 0.00 0.00 44.72 43.53 3pck s GLY 93 CO 0.02 -0.95 -0.05 0.50 0.00 0.00 0.00 173.10 172.61 3pck s ARG 94 N -3.86 0.41 0.23 2.90 0.52 -0.75 -1.15 118.95 117.25 3pck s ARG 94 Ca 0.29 -0.54 -0.17 0.00 -0.52 0.00 0.00 55.73 54.79 3pck s ARG 94 Cb 0.02 -0.20 0.02 0.00 0.52 0.00 0.00 34.95 35.31 3pck s ARG 94 CO 0.13 0.04 0.56 -0.08 0.02 0.00 0.00 175.30 175.96 3pck s THR 95 N -1.01 0.01 0.08 0.02 -1.32 -0.24 -1.34 115.64 111.83 3pck s THR 95 Ca -0.08 -0.97 -0.18 0.00 -1.21 0.00 0.00 61.69 59.24 3pck s THR 95 Cb -0.07 -1.83 0.04 0.00 -1.51 0.00 0.00 72.50 69.13 3pck s THR 95 CO -0.00 -0.06 0.44 0.00 -2.21 0.00 0.00 174.62 172.79 3pck s ALA 96 N -3.92 -1.07 0.06 11.08 0.00 -1.26 -0.73 121.76 125.92 3pck s ALA 96 Ca 0.13 0.25 -0.16 0.00 0.00 0.00 0.00 51.96 52.17 3pck s ALA 96 Cb -0.02 0.50 -0.06 0.00 0.00 0.00 0.00 23.12 23.54 3pck s ALA 96 CO 0.02 -0.55 0.51 0.95 0.00 0.00 0.00 175.76 176.69 3pck s THR 97 N -3.00 4.87 0.35 0.00 -4.23 -1.12 -4.26 115.64 108.26 3pck s THR 97 Ca -0.02 0.99 -0.28 0.00 -1.18 0.00 0.00 61.69 61.19 3pck s THR 97 Cb 0.00 -3.80 -0.11 0.00 1.34 0.00 0.00 72.50 69.94 3pck s THR 97 CO -0.06 0.49 1.43 0.42 -0.54 0.00 0.00 174.62 176.36 3pck s THR 98 N -1.18 2.31 -0.81 3.99 -4.23 -1.22 -4.53 115.64 109.97 3pck s THR 98 Ca 0.29 0.31 0.12 0.00 -1.18 0.00 0.00 61.69 61.23 3pck s THR 98 Cb -0.17 -3.20 0.12 0.00 1.34 0.00 0.00 72.50 70.59 3pck s THR 98 CO 0.17 0.07 1.39 0.49 -0.54 0.00 0.00 174.62 176.20 3pck n PHE 99 N 0.72 0.23 0.00 3.99 3.72 -1.26 -1.80 117.46 123.06 3pck n PHE 99 Ca 0.01 0.10 0.00 0.00 -0.05 0.00 0.00 57.45 57.51 3pck n PHE 99 Cb 0.40 -0.66 0.00 0.00 -0.94 0.00 0.00 39.48 38.28 3pck n PHE 99 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 3pck n ASP 100 N -1.72 0.00 -0.33 4.37 5.75 -1.26 -4.83 116.55 118.53 3pck n ASP 100 Ca 0.02 0.00 0.20 0.00 -0.01 0.00 0.00 54.79 55.00 3pck n ASP 100 Cb 0.11 0.00 0.42 0.00 -1.03 0.00 0.00 41.12 40.62 3pck n ASP 100 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3pck h ALA 101 N -1.84 1.79 -2.07 2.12 0.00 -2.00 -3.46 119.26 113.80 3pck h ALA 101 Ca 0.00 0.17 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 3pck h ALA 101 Cb 0.00 0.13 0.02 0.00 0.00 0.00 0.00 17.79 17.94 3pck h ALA 101 CO 0.00 -0.46 -0.08 0.41 0.00 0.00 0.00 179.25 179.13 3pck n GLY 102 N -1.31 0.51 3.32 0.00 0.00 -0.75 -4.93 105.19 102.04 3pck n GLY 102 Ca 0.29 -0.48 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 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 -4.49 2.05 0.31 1.61 2.12 -1.26 -4.49 118.70 114.55 3pck s GLU 103 Ca 0.02 -0.97 0.07 0.00 0.36 0.00 0.00 54.97 54.46 3pck s GLU 103 Cb -0.01 -2.04 -0.03 0.00 0.26 0.00 0.00 34.13 32.31 3pck s GLU 103 CO 0.08 0.55 0.27 1.67 -0.54 0.00 0.00 175.26 177.29 3pck s TRP 104 N -0.66 2.99 -0.05 5.30 1.48 -0.29 -3.40 118.94 124.31 3pck s TRP 104 Ca 0.10 -0.23 -0.10 0.00 -1.06 0.00 0.00 56.10 54.81 3pck s TRP 104 Cb -0.10 -1.68 0.02 0.00 -1.16 0.00 0.00 33.47 30.55 3pck s TRP 104 CO -0.00 0.28 0.24 0.95 -4.06 0.00 0.00 176.95 174.37 3pck s THR 105 N -2.24 0.04 0.01 0.66 -4.23 -1.26 -2.32 115.64 106.30 3pck s THR 105 Ca 0.38 -0.33 0.02 0.00 -1.18 0.00 0.00 61.69 60.59 3pck s THR 105 Cb -0.07 -0.46 -0.01 0.00 1.34 0.00 0.00 72.50 73.30 3pck s THR 105 CO 0.26 -0.18 -0.07 -0.76 -0.54 0.00 0.00 174.62 173.33 3pck s LEU 106 N -0.71 2.08 -0.30 4.79 1.43 0.65 -4.84 118.68 121.78 3pck s LEU 106 Ca -0.08 -0.23 0.00 0.00 -1.03 0.00 0.00 54.13 52.79 3pck s LEU 106 Cb -0.04 -0.30 0.06 0.00 0.03 0.00 0.00 46.19 45.93 3pck s LEU 106 CO 0.02 0.01 -0.01 -1.00 0.23 0.00 0.00 176.35 175.60 3pck s HIS 107 N -0.46 3.35 0.00 0.29 3.76 -0.18 -1.57 115.29 120.48 3pck s HIS 107 Ca -0.00 -2.18 0.00 0.00 -0.15 0.00 0.00 55.06 52.72 3pck s HIS 107 Cb -0.04 -2.23 0.00 0.00 1.11 0.00 0.00 32.58 31.41 3pck s HIS 107 CO 0.00 -0.86 0.00 -2.37 -0.85 0.00 0.00 174.74 170.66 3pck n THR 108 N 4.52 0.00 -4.38 1.30 5.66 -1.00 0.04 114.28 120.41 3pck n THR 108 Ca -0.11 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.66 3pck n THR 108 Cb 0.43 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.10 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 -2.34 2.05 -0.05 1.08 -7.23 -1.26 -0.39 120.40 112.27 3pck s VAL 109 Ca 0.00 -2.08 -0.30 0.00 -1.81 0.00 0.00 61.98 57.79 3pck s VAL 109 Cb 0.00 -2.02 -0.05 0.00 0.56 0.00 0.00 36.38 34.86 3pck s VAL 109 CO 0.00 -0.33 1.55 -0.75 -0.31 0.00 0.00 175.10 175.26 3pck s LYS 110 N -3.03 4.21 0.50 4.82 2.20 -0.62 -4.90 119.74 122.91 3pck s LYS 110 Ca 0.21 2.08 -0.22 0.00 -0.36 0.00 0.00 55.97 57.68 3pck s LYS 110 Cb -0.05 -3.84 -0.06 0.00 -1.51 0.00 0.00 37.83 32.36 3pck s LYS 110 CO 0.09 -0.76 1.19 -1.25 -0.36 0.00 0.00 175.35 174.26 3pck s PRO 111 N 3.51 3.54 0.93 4.03 0.04 -1.26 -4.27 135.00 141.52 3pck s PRO 111 Ca 0.69 1.83 -0.15 0.00 0.04 0.00 0.00 61.00 63.40 3pck s PRO 111 Cb -0.32 -2.29 0.17 0.00 0.04 0.00 0.00 34.50 32.11 3pck s PRO 111 CO 0.27 -0.75 1.28 0.20 0.04 0.00 0.00 177.00 178.05 3pck s GLY 112 N -1.37 1.73 0.02 0.56 0.00 0.11 -4.72 107.32 103.65 3pck s GLY 112 Ca 0.67 -1.06 -0.28 0.00 0.00 0.00 0.00 44.72 44.05 3pck s GLY 112 CO 0.35 -0.36 0.91 0.14 0.00 0.00 0.00 173.10 174.15 3pck s VAL 113 N -3.80 4.79 0.10 1.40 1.01 -1.26 -4.36 120.40 118.28 3pck s VAL 113 Ca 0.71 1.92 0.09 0.00 0.00 0.00 0.00 61.98 64.70 3pck s VAL 113 Cb -0.06 -4.26 -0.03 0.00 0.00 0.00 0.00 36.38 32.03 3pck s VAL 113 CO 0.52 0.23 -0.22 0.68 0.00 0.00 0.00 175.10 176.32 3pck s VAL 114 N 0.62 1.81 0.22 2.92 -7.23 -1.26 -4.45 120.40 113.02 3pck s VAL 114 Ca 0.47 -1.55 -0.04 0.00 -1.81 0.00 0.00 61.98 59.05 3pck s VAL 114 Cb -0.21 -1.63 -0.05 0.00 0.56 0.00 0.00 36.38 35.05 3pck s VAL 114 CO 0.26 -0.01 0.46 0.20 -0.31 0.00 0.00 175.10 175.71 3pck s ASN 115 N -1.87 6.46 1.00 4.85 0.01 -1.26 -0.38 114.94 123.75 3pck s ASN 115 Ca 0.08 0.62 -0.17 0.00 -0.71 0.00 0.00 52.86 52.68 3pck s ASN 115 Cb -0.10 -2.10 0.23 0.00 0.41 0.00 0.00 41.25 39.69 3pck s ASN 115 CO 0.04 -0.08 1.34 0.54 -1.51 0.00 0.00 177.10 177.43 3pck s ASN 116 N -2.90 2.75 0.46 -1.22 2.20 0.13 -4.89 114.94 111.47 3pck s ASN 116 Ca 0.42 0.20 0.13 0.00 -0.94 0.00 0.00 52.86 52.67 3pck s ASN 116 Cb -0.11 -0.17 1.04 0.00 -2.00 0.00 0.00 41.25 40.00 3pck s ASN 116 CO 0.27 -2.96 2.04 0.00 -2.94 0.00 0.00 177.10 173.51 3pck h ALA 117 N -1.80 1.76 -0.00 3.54 0.00 -1.99 -1.18 119.26 119.60 3pck h ALA 117 Ca -0.44 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3pck h ALA 117 Cb 1.22 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3pck h ALA 117 CO 0.33 0.18 -0.03 0.00 0.00 0.00 0.00 179.25 179.73 3pck n ALA 118 N -2.51 2.61 -0.51 0.00 0.00 -1.26 -4.90 120.51 113.94 3pck n ALA 118 Ca -0.02 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.22 3pck n ALA 118 Cb 0.18 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.18 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 1.21 0.75 3.78 0.00 0.00 -0.44 -5.07 105.19 105.42 3pck n GLY 119 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.59 4.73 0.29 1.61 1.01 -1.26 -4.72 120.40 119.48 3pck s VAL 120 Ca 0.00 1.35 -0.29 0.00 0.00 0.00 0.00 61.98 63.04 3pck s VAL 120 Cb 0.00 -3.97 -0.10 0.00 0.00 0.00 0.00 36.38 32.31 3pck s VAL 120 CO 0.00 0.49 1.13 -2.16 0.00 0.00 0.00 175.10 174.55 3pck s PRO 121 N -0.70 4.57 0.00 2.72 0.05 -1.26 0.21 135.00 140.59 3pck s PRO 121 Ca 0.32 1.85 -0.01 0.00 0.05 0.00 0.00 61.00 63.20 3pck s PRO 121 Cb -0.20 -3.13 -0.04 0.00 0.05 0.00 0.00 34.50 31.18 3pck s PRO 121 CO 0.20 0.13 0.14 -1.64 0.05 0.00 0.00 177.00 175.88 3pck s MET 122 N -1.56 3.27 0.56 4.56 -1.94 0.49 -4.44 119.30 120.23 3pck s MET 122 Ca 0.46 -0.41 -0.20 0.00 -1.71 0.00 0.00 55.69 53.83 3pck s MET 122 Cb -0.33 -2.98 -0.04 0.00 2.01 0.00 0.00 34.83 33.49 3pck s MET 122 CO 0.42 0.65 1.23 0.00 -0.01 0.00 0.00 175.02 177.31 3pck s ALA 123 N -1.29 2.67 0.14 3.03 0.00 -1.26 -4.11 121.76 120.93 3pck s ALA 123 Ca 0.26 1.06 -0.34 0.00 0.00 0.00 0.00 51.96 52.94 3pck s ALA 123 Cb -0.12 -3.46 -0.16 0.00 0.00 0.00 0.00 23.12 19.37 3pck s ALA 123 CO 0.18 -1.12 1.17 -2.30 0.00 0.00 0.00 175.76 173.70 3pck n PRO 124 N -1.30 1.04 -3.51 0.00 -0.02 -1.26 -4.89 135.00 125.06 3pck n PRO 124 Ca 0.12 0.37 -0.13 0.00 -2.02 0.00 0.00 63.50 61.84 3pck n PRO 124 Cb 0.48 -1.89 -0.04 0.00 -0.02 0.00 0.00 33.50 32.04 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 -0.05 -0.47 -0.16 6.00 -3.43 -1.26 -4.40 115.29 111.52 3pck s HIS 125 Ca 0.77 0.42 -0.00 0.00 -0.80 0.00 0.00 55.06 55.44 3pck s HIS 125 Cb -0.91 0.43 -0.00 0.00 -1.43 0.00 0.00 32.58 30.67 3pck s HIS 125 CO 0.51 -0.73 -0.13 0.42 -2.00 0.00 0.00 174.74 172.81 3pck s ILE 126 N -3.00 2.81 -0.07 -5.38 1.01 -0.38 -4.66 121.20 111.51 3pck s ILE 126 Ca -0.02 -0.72 -0.28 0.00 0.00 0.00 0.00 60.65 59.63 3pck s ILE 126 Cb -0.00 -2.20 -0.02 0.00 0.01 0.00 0.00 42.46 40.24 3pck s ILE 126 CO -0.06 0.50 0.90 0.20 0.00 0.00 0.00 174.94 176.48 3pck s ASN 127 N 0.85 7.18 -0.04 3.58 0.01 -0.24 -0.11 114.94 126.17 3pck s ASN 127 Ca -0.04 1.43 0.07 0.00 -0.71 0.00 0.00 52.86 53.61 3pck s ASN 127 Cb -0.15 -2.51 -0.02 0.00 0.41 0.00 0.00 41.25 38.98 3pck s ASN 127 CO -0.00 -0.30 -0.25 -0.63 -1.51 0.00 0.00 177.10 174.41 3pck s ILE 128 N 1.40 2.00 -0.13 0.60 1.01 -0.22 -1.29 121.20 124.57 3pck s ILE 128 Ca 0.45 -1.06 0.02 0.00 0.00 0.00 0.00 60.65 60.06 3pck s ILE 128 Cb -0.19 -1.68 0.01 0.00 0.01 0.00 0.00 42.46 40.62 3pck s ILE 128 CO 0.21 0.56 -0.19 -0.44 0.00 0.00 0.00 174.94 175.08 3pck s SER 129 N -0.41 2.86 -0.17 3.58 0.01 -0.43 -0.73 113.70 118.41 3pck s SER 129 Ca 0.04 -0.54 -0.03 0.00 1.31 0.00 0.00 55.95 56.73 3pck s SER 129 Cb -0.11 -1.31 -0.02 0.00 0.21 0.00 0.00 66.02 64.79 3pck s SER 129 CO 0.01 0.04 -0.06 -0.22 0.41 0.00 0.00 173.24 173.42 3pck s LEU 130 N 0.98 3.03 0.12 2.44 2.96 0.16 -1.54 118.68 126.84 3pck s LEU 130 Ca -0.05 -0.25 0.07 0.00 -0.22 0.00 0.00 54.13 53.68 3pck s LEU 130 Cb -0.15 -1.74 -0.04 0.00 0.50 0.00 0.00 46.19 44.77 3pck s LEU 130 CO -0.04 0.11 -0.18 -0.36 -1.32 0.00 0.00 176.35 174.56 3pck s PHE 131 N 0.73 1.62 0.00 5.38 0.40 -0.24 -1.29 117.98 124.59 3pck s PHE 131 Ca -0.03 -0.47 0.00 0.00 -0.60 0.00 0.00 56.93 55.84 3pck s PHE 131 Cb -0.15 -0.86 0.00 0.00 0.51 0.00 0.00 43.02 42.52 3pck s PHE 131 CO 0.02 0.20 0.00 0.00 0.70 0.00 0.00 175.22 176.14 3pck n ALA 132 N 0.79 0.00 -1.78 5.36 0.00 -1.26 -1.26 120.51 122.35 3pck n ALA 132 Ca -0.17 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.85 3pck n ALA 132 Cb 0.55 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.99 3pck n ALA 132 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3pck s ARG 133 N -2.00 4.14 0.00 0.00 3.52 -1.25 -1.53 118.95 121.83 3pck s ARG 133 Ca 0.00 2.53 0.00 0.00 -0.13 0.00 0.00 55.73 58.13 3pck s ARG 133 Cb 0.00 -3.03 0.00 0.00 -1.56 0.00 0.00 34.95 30.36 3pck s ARG 133 CO 0.00 -0.58 0.00 0.41 -0.81 0.00 0.00 175.30 174.32 3pck n GLY 134 N 1.89 1.84 3.26 8.12 0.00 -1.26 -4.97 105.19 114.07 3pck n GLY 134 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.35 4.19 0.17 -0.61 1.01 -0.58 -4.98 121.20 118.06 3pck s ILE 135 Ca 0.00 -1.48 -0.09 0.00 0.00 0.00 0.00 60.65 59.08 3pck s ILE 135 Cb 0.00 -3.61 0.02 0.00 0.01 0.00 0.00 42.46 38.88 3pck s ILE 135 CO 0.00 -0.55 1.57 0.78 0.00 0.00 0.00 174.94 176.74 3pck h ASN 136 N 8.40 1.01 -3.54 3.58 2.35 -1.91 -3.31 115.58 122.16 3pck h ASN 136 Ca -0.22 -0.37 -0.40 0.00 -0.55 0.00 0.00 56.30 54.75 3pck h ASN 136 Cb 1.08 -0.28 -0.33 0.00 0.05 0.00 0.00 38.32 38.84 3pck h ASN 136 CO 0.77 1.16 -0.77 -0.51 -1.65 0.00 0.00 177.43 176.43 3pck s ILE 137 N -4.72 0.55 0.50 2.81 2.07 -1.26 -3.04 121.20 118.11 3pck s ILE 137 Ca -0.11 -0.16 -0.21 0.00 -1.41 0.00 0.00 60.65 58.76 3pck s ILE 137 Cb 0.13 -0.55 -0.09 0.00 0.13 0.00 0.00 42.46 42.07 3pck s ILE 137 CO 0.87 0.22 0.83 0.00 -1.91 0.00 0.00 174.94 174.94 3pck n HIS 138 N 3.86 0.45 -3.59 3.50 1.44 -1.26 -5.00 115.22 114.61 3pck n HIS 138 Ca -0.24 0.51 -0.37 0.00 -2.01 0.00 0.00 57.72 55.61 3pck n HIS 138 Cb 0.52 -2.11 -0.08 0.00 0.12 0.00 0.00 29.99 28.43 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 -0.32 4.17 -0.17 2.39 1.43 -0.41 -4.91 118.68 120.86 3pck s LEU 139 Ca 0.68 0.30 -0.08 0.00 -1.03 0.00 0.00 54.13 54.00 3pck s LEU 139 Cb -0.50 -2.24 -0.04 0.00 0.03 0.00 0.00 46.19 43.43 3pck s LEU 139 CO 0.54 0.06 0.09 -1.00 0.23 0.00 0.00 176.35 176.27 3pck s HIS 140 N 0.86 3.35 0.32 0.29 3.76 -1.26 0.39 115.29 123.00 3pck s HIS 140 Ca 0.12 0.23 -0.06 0.00 -0.15 0.00 0.00 55.06 55.20 3pck s HIS 140 Cb -0.13 -2.07 0.00 0.00 1.11 0.00 0.00 32.58 31.49 3pck s HIS 140 CO 0.04 0.30 0.48 -0.08 -0.85 0.00 0.00 174.74 174.63 3pck s THR 141 N 0.09 0.00 0.00 1.30 -1.32 0.09 -0.91 115.64 114.89 3pck s THR 141 Ca 0.07 -1.53 0.02 0.00 -1.21 0.00 0.00 61.69 59.04 3pck s THR 141 Cb -0.12 -2.55 -0.01 0.00 -1.51 0.00 0.00 72.50 68.32 3pck s THR 141 CO 0.00 0.00 -0.06 -0.13 -2.21 0.00 0.00 174.62 172.22 3pck s ARG 142 N -3.29 0.49 -0.22 7.08 0.52 -1.26 -1.06 118.95 121.21 3pck s ARG 142 Ca 0.28 -0.31 -0.05 0.00 -0.52 0.00 0.00 55.73 55.13 3pck s ARG 142 Cb -0.00 -0.44 -0.02 0.00 0.52 0.00 0.00 34.95 35.01 3pck s ARG 142 CO 0.16 0.12 -0.01 -1.17 0.02 0.00 0.00 175.30 174.42 3pck s LEU 143 N -0.39 3.07 0.38 2.53 0.20 0.84 -4.78 118.68 120.52 3pck s LEU 143 Ca 0.00 -0.32 0.08 0.00 0.69 0.00 0.00 54.13 54.58 3pck s LEU 143 Cb -0.04 -1.79 -0.04 0.00 -0.43 0.00 0.00 46.19 43.89 3pck s LEU 143 CO -0.00 -0.01 0.20 -0.31 -0.29 0.00 0.00 176.35 175.94 3pck s TYR 144 N 1.41 2.68 -0.08 5.38 1.51 -0.28 -1.25 117.35 126.71 3pck s TYR 144 Ca 0.05 -0.46 0.03 0.00 -1.01 0.00 0.00 57.07 55.68 3pck s TYR 144 Cb -0.14 -1.83 -0.02 0.00 -0.11 0.00 0.00 41.96 39.86 3pck s TYR 144 CO -0.01 0.21 -0.18 -0.06 -1.11 0.00 0.00 175.55 174.40 3pck s PHE 145 N -2.49 2.64 0.51 2.71 0.40 -1.26 0.35 117.98 120.84 3pck s PHE 145 Ca 0.41 -0.56 0.16 0.00 -0.60 0.00 0.00 56.93 56.34 3pck s PHE 145 Cb -0.01 -1.69 1.25 0.00 0.51 0.00 0.00 43.02 43.08 3pck s PHE 145 CO 0.24 -0.12 2.12 0.38 0.70 0.00 0.00 175.22 178.54 3pck h ASP 146 N 6.11 0.00 -0.02 1.36 2.03 -1.66 -1.64 116.42 122.61 3pck h ASP 146 Ca -0.33 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.97 3pck h ASP 146 Cb 1.19 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.69 3pck h ASP 146 CO 0.51 0.04 0.00 -0.90 -1.03 0.00 0.00 179.24 177.85 3pck n ASP 147 N -4.45 0.11 -0.59 4.15 5.68 -1.26 -3.37 116.55 116.81 3pck n ASP 147 Ca -0.03 -1.96 0.06 0.00 -0.50 0.00 0.00 54.79 52.36 3pck n ASP 147 Cb 0.12 -0.01 0.20 0.00 -1.14 0.00 0.00 41.12 40.28 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 -0.46 1.49 -0.33 0.11 -0.58 -0.61 -4.89 120.64 115.37 3pck n GLU 148 Ca 0.02 -3.18 0.18 0.00 -0.42 0.00 0.00 57.16 53.76 3pck n GLU 148 Cb 0.02 -1.54 0.36 0.00 -0.57 0.00 0.00 31.44 29.71 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 0.90 1.45 -0.06 0.62 0.00 -1.72 -0.05 119.26 120.40 3pck h ALA 149 Ca -0.01 0.29 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 3pck h ALA 149 Cb 1.04 0.45 -0.00 0.00 0.00 0.00 0.00 17.79 19.27 3pck h ALA 149 CO 0.00 -0.63 0.03 1.96 0.00 0.00 0.00 179.25 180.62 3pck h GLN 150 N 0.07 0.09 -0.46 0.00 4.20 -1.93 -2.18 115.11 114.90 3pck h GLN 150 Ca 0.65 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 59.31 3pck h GLN 150 Cb 1.45 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 29.19 3pck h GLN 150 CO -0.81 0.14 0.12 0.00 -0.67 0.00 0.00 178.83 177.61 3pck h ALA 151 N 0.95 0.60 -0.76 3.87 0.00 -1.67 -3.21 119.26 119.04 3pck h ALA 151 Ca 0.02 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 54.84 3pck h ALA 151 Cb 0.08 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 17.62 3pck h ALA 151 CO -0.00 0.28 0.39 -0.91 0.00 0.00 0.00 179.25 179.01 3pck h ASN 152 N 0.61 0.52 0.38 0.00 2.35 -0.93 -1.57 115.58 116.94 3pck h ASN 152 Ca 0.15 0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.94 3pck h ASN 152 Cb 0.30 -0.03 -0.00 0.00 0.05 0.00 0.00 38.32 38.64 3pck h ASN 152 CO -0.00 0.29 -0.08 0.00 -1.65 0.00 0.00 177.43 175.99 3pck h ALA 153 N 1.45 1.22 -0.29 -0.83 0.00 -1.39 -2.30 119.26 117.11 3pck h ALA 153 Ca 0.37 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3pck h ALA 153 Cb 0.40 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3pck h ALA 153 CO -0.27 0.10 0.00 1.63 0.00 0.00 0.00 179.25 180.71 3pck n LYS 154 N -3.49 2.14 -2.09 0.00 4.76 -0.64 -4.95 118.16 113.89 3pck n LYS 154 Ca -0.02 -1.92 -0.42 0.00 -2.87 0.00 0.00 58.31 53.08 3pck n LYS 154 Cb 0.21 -1.34 -0.03 0.00 -1.84 0.00 0.00 35.03 32.03 3pck n LYS 154 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3pck h PRO 156 N 8.73 0.00 0.00 0.00 0.13 -1.91 -0.55 132.00 138.41 3pck h PRO 156 Ca -0.38 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.70 3pck h PRO 156 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 3pck h PRO 156 CO 0.94 0.04 -0.28 0.28 -0.23 0.00 0.00 178.00 178.75 3pck h VAL 157 N 0.00 1.26 -0.73 1.56 2.07 -1.94 -3.26 116.25 115.21 3pck h VAL 157 Ca -0.00 -2.04 0.08 0.00 0.82 0.00 0.00 66.70 65.56 3pck h VAL 157 Cb 0.28 2.47 -0.05 0.00 -1.52 0.00 0.00 31.29 32.48 3pck h VAL 157 CO 0.01 0.43 0.48 0.25 0.02 0.00 0.00 177.57 178.75 3pck h LEU 158 N -1.00 0.62 -1.68 2.57 5.85 -1.85 -1.70 115.31 118.12 3pck h LEU 158 Ca -0.07 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.63 3pck h LEU 158 Cb 0.89 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.79 3pck h LEU 158 CO -0.04 0.38 -0.13 0.78 -0.34 0.00 0.00 178.44 179.09 3pck h ASN 159 N 0.69 0.00 0.87 1.25 2.35 -1.22 -2.18 115.58 117.33 3pck h ASN 159 Ca 0.32 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 56.04 3pck h ASN 159 Cb 0.36 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.73 3pck h ASN 159 CO -0.11 0.13 -0.16 -0.07 -1.65 0.00 0.00 177.43 175.57 3pck h LEU 160 N 0.00 0.00 -8.85 1.61 3.38 -1.34 -3.41 115.31 106.70 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 0.46 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.16 3pck h LEU 160 CO 0.02 0.16 1.04 -0.63 0.09 0.00 0.00 178.44 179.12 3pck s ILE 161 N -3.73 3.97 0.17 1.22 1.01 -0.82 -4.91 121.20 118.11 3pck s ILE 161 Ca 0.00 1.03 -0.20 0.00 0.00 0.00 0.00 60.65 61.49 3pck s ILE 161 Cb 0.10 -4.17 0.10 0.00 0.01 0.00 0.00 42.46 38.50 3pck s ILE 161 CO 0.61 -0.66 1.62 -0.08 0.00 0.00 0.00 174.94 176.43 3pck h GLU 162 N 10.25 -0.15 -5.36 2.79 4.81 -1.87 -3.40 114.58 121.65 3pck h GLU 162 Ca -0.27 0.01 -0.61 0.00 -0.13 0.00 0.00 59.36 58.36 3pck h GLU 162 Cb 1.10 0.03 -0.12 0.00 0.63 0.00 0.00 28.75 30.40 3pck h GLU 162 CO 1.07 -0.10 -0.14 -0.65 -0.73 0.00 0.00 179.01 178.46 3pck s GLN 163 N -6.10 4.12 0.22 1.92 -1.52 -1.26 -4.98 119.66 112.05 3pck s GLN 163 Ca -0.14 0.23 -0.08 0.00 -1.95 0.00 0.00 55.36 53.41 3pck s GLN 163 Cb 0.15 -3.59 0.30 0.00 -0.22 0.00 0.00 33.01 29.64 3pck s GLN 163 CO 0.70 -0.18 1.78 -1.35 -0.25 0.00 0.00 175.29 175.99 3pck h PRO 164 N 7.71 0.58 -0.26 2.91 0.11 -1.98 -0.54 132.00 140.53 3pck h PRO 164 Ca -0.33 -0.03 0.07 0.00 0.11 0.00 0.00 66.00 65.82 3pck h PRO 164 Cb 1.16 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 3pck h PRO 164 CO 0.70 0.38 0.21 1.96 -0.21 0.00 0.00 178.00 181.04 3pck h GLN 165 N 0.59 0.00 -0.11 1.05 7.50 -1.95 -1.31 115.11 120.87 3pck h GLN 165 Ca 0.33 0.00 -0.14 0.00 0.50 0.00 0.00 58.65 59.33 3pck h GLN 165 Cb 0.31 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.83 3pck h GLN 165 CO -0.25 0.00 -0.55 0.00 -1.50 0.00 0.00 178.83 176.53 3pck h ARG 166 N 0.00 0.34 -0.80 1.46 3.08 -1.49 -3.11 114.38 113.86 3pck h ARG 166 Ca 0.12 -0.21 0.05 0.00 0.07 0.00 0.00 59.98 60.01 3pck h ARG 166 Cb 0.53 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.56 3pck h ARG 166 CO -0.00 0.80 0.53 0.00 -1.07 0.00 0.00 179.97 180.23 3pck h ARG 167 N 0.26 0.89 -0.66 0.04 3.08 -1.18 -1.97 114.38 114.85 3pck h ARG 167 Ca 0.00 -0.05 0.05 0.00 0.07 0.00 0.00 59.98 60.05 3pck h ARG 167 Cb 1.05 -0.20 -0.04 0.00 0.08 0.00 0.00 29.97 30.86 3pck h ARG 167 CO 0.09 0.59 0.43 0.93 -1.07 0.00 0.00 179.97 180.94 3pck h GLU 168 N 0.92 0.69 -0.15 0.04 5.08 -1.52 -2.18 114.58 117.46 3pck h GLU 168 Ca 0.34 -0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.70 3pck h GLU 168 Cb 0.16 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3pck h GLU 168 CO -0.11 0.46 0.27 1.79 -1.00 0.00 0.00 179.01 180.41 3pck h THR 169 N 0.71 0.26 -0.09 1.13 1.35 -1.50 -0.92 112.91 113.85 3pck h THR 169 Ca 0.27 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.13 3pck h THR 169 Cb 0.19 0.77 0.00 0.00 -1.73 0.00 0.00 68.15 67.38 3pck h THR 169 CO -0.08 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.37 3pck n LEU 170 N -3.43 2.06 -4.52 3.87 4.77 -0.82 -4.80 117.00 114.13 3pck n LEU 170 Ca 0.01 -0.75 -0.37 0.00 -0.03 0.00 0.00 56.01 54.88 3pck n LEU 170 Cb 0.37 -0.05 -0.12 0.00 -2.33 0.00 0.00 43.42 41.30 3pck n LEU 170 CO 0.22 0.38 -0.24 -0.63 -1.33 0.00 0.00 177.39 175.79 3pck s ILE 171 N -1.90 4.69 0.27 -0.08 1.01 -0.35 -1.13 121.20 123.70 3pck s ILE 171 Ca 0.35 -0.05 -0.29 0.00 0.00 0.00 0.00 60.65 60.66 3pck s ILE 171 Cb 0.20 -3.19 -0.09 0.00 0.01 0.00 0.00 42.46 39.39 3pck s ILE 171 CO 0.31 0.33 0.99 0.00 0.00 0.00 0.00 174.94 176.57 3pck s ALA 172 N 1.44 3.33 -0.32 9.38 0.00 0.16 -4.83 121.76 130.92 3pck s ALA 172 Ca 0.06 0.68 -0.17 0.00 0.00 0.00 0.00 51.96 52.53 3pck s ALA 172 Cb -0.15 -3.24 -0.02 0.00 0.00 0.00 0.00 23.12 19.72 3pck s ALA 172 CO 0.05 0.09 0.46 0.15 0.00 0.00 0.00 175.76 176.51 3pck s LYS 173 N -1.44 3.77 0.25 0.00 1.02 -0.73 -1.73 119.74 120.87 3pck s LYS 173 Ca 0.44 -0.08 -0.30 0.00 0.02 0.00 0.00 55.97 56.05 3pck s LYS 173 Cb -0.26 -3.75 -0.10 0.00 -0.52 0.00 0.00 37.83 33.20 3pck s LYS 173 CO 0.33 -0.50 1.45 0.50 -0.92 0.00 0.00 175.35 176.21 3pck s ARG 174 N 2.25 4.26 0.00 1.68 3.52 -1.26 -0.66 118.95 128.74 3pck s ARG 174 Ca 0.17 2.32 0.00 0.00 -0.13 0.00 0.00 55.73 58.09 3pck s ARG 174 Cb -0.16 -3.11 0.00 0.00 -1.56 0.00 0.00 34.95 30.12 3pck s ARG 174 CO 0.12 -0.44 0.00 0.00 -0.81 0.00 0.00 175.30 174.17 3pck s GLU 176 N -0.19 0.22 -0.13 0.00 2.12 -1.26 -1.58 118.70 117.88 3pck s GLU 176 Ca 0.00 0.08 -0.01 0.00 0.36 0.00 0.00 54.97 55.40 3pck s GLU 176 Cb 0.00 0.10 0.04 0.00 0.26 0.00 0.00 34.13 34.53 3pck s GLU 176 CO 0.00 -0.04 -0.01 0.08 -0.54 0.00 0.00 175.26 174.75 3pck s VAL 177 N -0.19 0.70 -1.39 3.70 1.01 0.37 -4.76 120.40 119.85 3pck s VAL 177 Ca -0.03 -0.31 -0.05 0.00 0.00 0.00 0.00 61.98 61.59 3pck s VAL 177 Cb -0.02 -0.93 0.03 0.00 0.00 0.00 0.00 36.38 35.46 3pck s VAL 177 CO 0.00 0.12 0.84 0.47 0.00 0.00 0.00 175.10 176.54 3pck n ASP 178 N 5.02 -2.82 -1.05 3.32 8.00 -1.26 0.12 116.55 127.89 3pck n ASP 178 Ca -0.10 -0.78 -0.14 0.00 0.71 0.00 0.00 54.79 54.49 3pck n ASP 178 Cb 0.49 -4.11 -0.06 0.00 -0.02 0.00 0.00 41.12 37.42 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 -1.63 1.40 3.57 0.44 0.00 -1.26 -4.98 105.19 102.73 3pck n GLY 179 Ca -0.16 -0.23 -0.33 0.00 0.00 0.00 0.00 46.02 45.30 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 -3.09 2.64 0.06 1.61 2.20 0.12 -5.07 119.74 118.19 3pck s LYS 180 Ca 0.00 -0.64 -0.31 0.00 -0.36 0.00 0.00 55.97 54.67 3pck s LYS 180 Cb 0.00 -2.53 -0.08 0.00 -1.51 0.00 0.00 37.83 33.72 3pck s LYS 180 CO 0.00 0.64 1.61 0.99 -0.36 0.00 0.00 175.35 178.23 3pck s THR 181 N -0.87 3.14 0.10 3.43 2.01 -1.26 0.14 115.64 122.32 3pck s THR 181 Ca 0.14 0.58 0.03 0.00 0.31 0.00 0.00 61.69 62.75 3pck s THR 181 Cb -0.11 -3.37 -0.04 0.00 0.01 0.00 0.00 72.50 68.99 3pck s THR 181 CO 0.04 -0.00 -0.09 0.00 -0.69 0.00 0.00 174.62 173.87 3pck s ALA 182 N 2.60 1.06 -0.03 7.40 0.00 -0.61 -1.17 121.76 131.01 3pck s ALA 182 Ca 0.72 -1.22 0.01 0.00 0.00 0.00 0.00 51.96 51.47 3pck s ALA 182 Cb -0.38 0.07 0.02 0.00 0.00 0.00 0.00 23.12 22.82 3pck s ALA 182 CO 0.31 -0.09 -0.03 0.71 0.00 0.00 0.00 175.76 176.66 3pck s TYR 183 N -2.75 0.58 -0.19 0.00 1.51 0.20 0.52 117.35 117.22 3pck s TYR 183 Ca 0.07 -0.13 -0.12 0.00 -1.01 0.00 0.00 57.07 55.89 3pck s TYR 183 Cb -0.01 -0.53 -0.05 0.00 -0.11 0.00 0.00 41.96 41.26 3pck s TYR 183 CO -0.01 -0.14 0.20 0.50 -1.11 0.00 0.00 175.55 174.99 3pck s ARG 184 N 0.78 4.21 -0.32 -0.62 3.52 0.16 -2.25 118.95 124.43 3pck s ARG 184 Ca -0.09 -0.09 -0.01 0.00 -0.13 0.00 0.00 55.73 55.40 3pck s ARG 184 Cb -0.13 -3.44 0.11 0.00 -1.56 0.00 0.00 34.95 29.93 3pck s ARG 184 CO -0.00 0.24 0.14 0.12 -0.81 0.00 0.00 175.30 174.98 3pck s PHE 185 N 0.51 1.28 0.03 5.12 5.36 -0.13 -1.77 117.98 128.37 3pck s PHE 185 Ca 0.12 -1.59 -0.18 0.00 -0.96 0.00 0.00 56.93 54.31 3pck s PHE 185 Cb -0.12 -1.44 -0.06 0.00 -0.34 0.00 0.00 43.02 41.06 3pck s PHE 185 CO 0.01 -0.85 0.52 -0.51 -1.46 0.00 0.00 175.22 172.93 3pck s ASP 186 N 1.53 6.95 -0.10 6.13 1.01 -1.26 -3.97 116.67 126.96 3pck s ASP 186 Ca 0.11 1.13 0.00 0.00 0.71 0.00 0.00 52.55 54.51 3pck s ASP 186 Cb -0.18 -2.32 -0.02 0.00 1.01 0.00 0.00 42.92 41.40 3pck s ASP 186 CO -0.22 0.25 -0.10 -0.63 0.21 0.00 0.00 175.17 174.67 3pck s ILE 187 N -0.84 3.38 -0.32 0.77 1.01 0.46 -4.97 121.20 120.68 3pck s ILE 187 Ca 0.28 -0.57 0.02 0.00 0.00 0.00 0.00 60.65 60.38 3pck s ILE 187 Cb -0.18 -2.40 0.10 0.00 0.01 0.00 0.00 42.46 39.99 3pck s ILE 187 CO 0.17 0.56 0.05 -0.13 0.00 0.00 0.00 174.94 175.59 3pck s ARG 188 N -0.24 1.29 0.35 2.79 0.52 -1.26 -1.01 118.95 121.39 3pck s ARG 188 Ca 0.02 -1.59 0.03 0.00 -0.52 0.00 0.00 55.73 53.67 3pck s ARG 188 Cb -0.13 -2.82 0.65 0.00 0.52 0.00 0.00 34.95 33.17 3pck s ARG 188 CO 0.03 -0.93 2.01 0.82 0.02 0.00 0.00 175.30 177.25 3pck h ILE 189 N 6.58 1.16 -2.86 1.52 2.04 -1.47 -0.80 117.51 123.69 3pck h ILE 189 Ca -0.08 -0.32 -0.11 0.00 1.00 0.00 0.00 64.86 65.35 3pck h ILE 189 Cb 1.02 0.29 -0.20 0.00 -0.74 0.00 0.00 36.82 37.19 3pck h ILE 189 CO 0.50 0.16 -0.20 -1.58 0.00 0.00 0.00 178.15 177.03 3pck s GLN 190 N -5.67 0.71 2.20 2.37 0.74 -1.26 -4.80 119.66 113.95 3pck s GLN 190 Ca -0.10 -0.05 0.00 0.00 0.05 0.00 0.00 55.36 55.26 3pck s GLN 190 Cb 0.17 0.32 0.00 0.00 1.10 0.00 0.00 33.01 34.60 3pck s GLN 190 CO 0.76 -0.19 0.00 0.41 -0.55 0.00 0.00 175.29 175.72 3pck n GLY 191 N 1.37 -0.76 3.59 2.59 0.00 -1.26 -4.11 105.19 106.61 3pck n GLY 191 Ca -0.20 -1.31 -0.60 0.00 0.00 0.00 0.00 46.02 43.91 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 0.54 -1.38 1.61 -0.00 -1.26 -0.13 120.64 120.02 3pck n GLU 192 Ca 0.00 0.18 -0.06 0.00 -0.00 0.00 0.00 57.16 57.28 3pck n GLU 192 Cb 0.00 -1.83 -0.02 0.00 -0.00 0.00 0.00 31.44 29.58 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 5.17 0.71 3.66 -1.84 0.00 -1.26 -4.96 105.19 106.68 3pck n GLY 193 Ca 0.36 -0.73 -0.53 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.57 1.43 -2.12 1.61 2.13 0.82 -4.67 120.64 117.27 3pck n GLU 194 Ca -0.07 0.52 -0.37 0.00 0.66 0.00 0.00 57.16 57.90 3pck n GLU 194 Cb 0.28 -2.23 0.01 0.00 0.27 0.00 0.00 31.44 29.77 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 2.28 2.81 0.13 6.31 2.01 -0.30 -4.96 115.64 123.92 3pck s THR 195 Ca 0.90 0.60 -0.30 0.00 0.31 0.00 0.00 61.69 63.21 3pck s THR 195 Cb -0.93 -3.30 -0.07 0.00 0.01 0.00 0.00 72.50 68.22 3pck s THR 195 CO 0.54 -0.01 1.13 -0.69 -0.69 0.00 0.00 174.62 174.89 3pck s VAL 196 N -1.48 3.96 0.02 3.82 1.01 -1.26 -4.95 120.40 121.52 3pck s VAL 196 Ca 0.66 1.57 0.08 0.00 0.00 0.00 0.00 61.98 64.30 3pck s VAL 196 Cb -0.32 -4.01 -0.02 0.00 0.00 0.00 0.00 36.38 32.03 3pck s VAL 196 CO 0.38 0.22 -0.25 -0.36 0.00 0.00 0.00 175.10 175.09 3pck s PHE 197 N 0.25 2.21 0.30 5.22 0.08 -1.26 -4.66 117.98 120.12 3pck s PHE 197 Ca 0.53 -0.41 0.08 0.00 0.12 0.00 0.00 56.93 57.25 3pck s PHE 197 Cb -0.29 -1.36 -0.04 0.00 -0.57 0.00 0.00 43.02 40.76 3pck s PHE 197 CO 0.33 0.07 0.12 -0.06 -0.10 0.00 0.00 175.22 175.58 3pck s PHE 198 N -0.73 2.79 -0.04 0.36 0.08 -0.09 -5.01 117.98 115.34 3pck s PHE 198 Ca 0.10 -0.28 0.02 0.00 0.12 0.00 0.00 56.93 56.90 3pck s PHE 198 Cb -0.10 -1.48 0.01 0.00 -0.57 0.00 0.00 43.02 40.88 3pck s PHE 198 CO 0.01 0.44 -0.10 0.34 -0.10 0.00 0.00 175.22 175.81 3pck s ASP 199 N -3.81 1.36 0.00 1.36 2.15 -1.26 -4.37 116.67 112.10 3pck s ASP 199 Ca 0.35 -0.22 0.00 0.00 0.43 0.00 0.00 52.55 53.12 3pck s ASP 199 Cb -0.05 -0.49 0.00 0.00 -0.30 0.00 0.00 42.92 42.08 3pck s ASP 199 CO 0.23 0.04 0.00 2.22 -0.17 0.00 0.00 175.17 177.49