#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 4.95 -0.11 4.25 -1.09 -1.26 -5.06 121.20 122.88 3pck s ILE 2 Ca 0.00 1.62 0.02 0.00 -2.23 0.00 0.00 60.65 60.06 3pck s ILE 2 Cb 0.00 -4.12 -0.01 0.00 -1.58 0.00 0.00 42.46 36.75 3pck s ILE 2 CO 0.00 0.15 -0.19 -1.61 -1.23 0.00 0.00 174.94 172.05 3pck s GLU 3 N 1.37 3.18 0.29 2.79 0.41 -1.26 -5.14 118.70 120.35 3pck s GLU 3 Ca 0.40 -0.80 -0.03 0.00 -0.41 0.00 0.00 54.97 54.14 3pck s GLU 3 Cb -0.18 -2.44 0.06 0.00 -1.78 0.00 0.00 34.13 29.80 3pck s GLU 3 CO 0.17 0.20 0.39 1.28 -0.49 0.00 0.00 175.26 176.82 3pck n LEU 4 N 3.51 0.00 -4.77 1.80 4.32 -1.26 -5.04 117.00 115.56 3pck n LEU 4 Ca -0.19 -0.63 -0.39 0.00 -0.02 0.00 0.00 56.01 54.78 3pck n LEU 4 Cb 0.53 -0.28 -0.03 0.00 -1.62 0.00 0.00 43.42 42.02 3pck n LEU 4 CO 0.29 -0.74 0.84 -0.76 -1.22 0.00 0.00 177.39 175.81 3pck s LEU 5 N 0.00 4.37 0.34 2.23 1.43 -1.26 -4.99 118.68 120.79 3pck s LEU 5 Ca 0.24 2.37 -0.26 0.00 -1.03 0.00 0.00 54.13 55.45 3pck s LEU 5 Cb -0.01 -3.81 -0.09 0.00 0.03 0.00 0.00 46.19 42.30 3pck s LEU 5 CO 0.16 -0.44 1.01 -2.16 0.23 0.00 0.00 176.35 175.15 3pck s PRO 6 N -1.90 4.45 0.47 1.29 0.04 -1.26 -5.01 135.00 133.08 3pck s PRO 6 Ca 0.51 1.48 -0.22 0.00 0.04 0.00 0.00 61.00 62.81 3pck s PRO 6 Cb -0.32 -2.79 -0.08 0.00 0.04 0.00 0.00 34.50 31.35 3pck s PRO 6 CO 0.42 0.13 1.11 -2.00 0.04 0.00 0.00 177.00 176.69 3pck s GLU 7 N -2.07 3.77 0.22 4.56 2.12 -1.26 -4.94 118.70 121.10 3pck s GLU 7 Ca 0.52 1.61 -0.31 0.00 0.36 0.00 0.00 54.97 57.14 3pck s GLU 7 Cb -0.22 -2.30 -0.11 0.00 0.26 0.00 0.00 34.13 31.75 3pck s GLU 7 CO 0.28 -0.50 1.65 0.99 -0.54 0.00 0.00 175.26 177.15 3pck s THR 8 N -1.69 2.17 0.34 -1.70 2.01 -1.26 -4.92 115.64 110.58 3pck s THR 8 Ca 0.65 0.12 -0.29 0.00 0.31 0.00 0.00 61.69 62.49 3pck s THR 8 Cb -0.24 -3.08 -0.10 0.00 0.01 0.00 0.00 72.50 69.09 3pck s THR 8 CO 0.29 0.01 1.35 -2.84 -0.69 0.00 0.00 174.62 172.74 3pck s PRO 9 N 0.72 4.30 0.64 4.92 0.02 -1.26 -5.02 135.00 139.32 3pck s PRO 9 Ca 0.71 2.29 -0.15 0.00 0.02 0.00 0.00 61.00 63.87 3pck s PRO 9 Cb -0.48 -3.05 -0.01 0.00 0.02 0.00 0.00 34.50 30.98 3pck s PRO 9 CO 0.36 -0.27 1.10 0.45 -0.33 0.00 0.00 177.00 178.31 3pck s SER 10 N -0.36 5.28 0.05 2.53 0.15 -1.26 -5.08 113.70 115.01 3pck s SER 10 Ca 0.50 1.98 0.01 0.00 0.70 0.00 0.00 55.95 59.13 3pck s SER 10 Cb -0.41 -2.55 -0.03 0.00 -1.71 0.00 0.00 66.02 61.32 3pck s SER 10 CO 0.54 -1.51 -0.05 -1.10 1.20 0.00 0.00 173.24 172.32 3pck s GLN 11 N -4.04 0.58 0.73 5.44 -1.52 -1.17 -4.87 119.66 114.82 3pck s GLN 11 Ca 0.67 -1.01 -0.15 0.00 -1.95 0.00 0.00 55.36 52.92 3pck s GLN 11 Cb -0.20 -0.03 0.04 0.00 -0.22 0.00 0.00 33.01 32.60 3pck s GLN 11 CO 0.40 -0.04 1.19 -0.08 -0.25 0.00 0.00 175.29 176.50 3pck s THR 12 N -2.73 2.46 -0.19 -0.19 -1.32 -1.17 -4.75 115.64 107.75 3pck s THR 12 Ca -0.01 0.22 0.27 0.00 -1.21 0.00 0.00 61.69 60.96 3pck s THR 12 Cb -0.01 -2.76 0.35 0.00 -1.51 0.00 0.00 72.50 68.57 3pck s THR 12 CO -0.04 -0.13 1.76 0.00 -2.21 0.00 0.00 174.62 174.00 3pck h ALA 13 N -0.33 0.99 -0.44 11.08 0.00 -1.74 -3.50 119.26 125.33 3pck h ALA 13 Ca -0.47 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.46 3pck h ALA 13 Cb 1.29 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 3pck h ALA 13 CO 0.50 0.03 -0.09 0.41 0.00 0.00 0.00 179.25 180.10 3pck n GLY 14 N 0.65 -1.62 0.15 0.00 0.00 -1.26 -4.13 105.19 98.97 3pck n GLY 14 Ca 0.02 -1.47 0.13 0.00 0.00 0.00 0.00 46.02 44.70 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 -0.18 0.00 -0.65 1.61 0.13 -1.93 -3.31 132.00 127.67 3pck h PRO 15 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3pck h PRO 15 Cb 0.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.31 3pck h PRO 15 CO 0.00 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 178.43 3pck n TYR 16 N -2.42 1.64 -0.36 1.56 4.01 -1.26 -4.60 117.16 115.71 3pck n TYR 16 Ca 0.03 -0.63 0.29 0.00 -0.16 0.00 0.00 57.90 57.43 3pck n TYR 16 Cb 0.31 -0.30 0.58 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 4.13 0.38 -0.72 -0.72 3.04 -1.72 -0.38 116.25 120.26 3pck h VAL 17 Ca 0.00 -0.09 0.07 0.00 -1.01 0.00 0.00 66.70 65.67 3pck h VAL 17 Cb 1.57 0.11 -0.04 0.00 -2.01 0.00 0.00 31.29 30.92 3pck h VAL 17 CO 0.29 0.05 0.47 0.45 -1.01 0.00 0.00 177.57 177.82 3pck h HIS 18 N 0.25 0.75 -0.28 3.17 3.86 -1.85 0.54 115.15 121.59 3pck h HIS 18 Ca 0.66 0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.91 3pck h HIS 18 Cb 1.94 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 30.15 3pck h HIS 18 CO -0.00 0.39 0.19 -0.84 0.86 0.00 0.00 177.93 178.53 3pck h ILE 19 N 0.74 1.03 0.07 2.45 3.07 -1.30 0.74 117.51 124.30 3pck h ILE 19 Ca 0.31 -0.11 -0.34 0.00 1.55 0.00 0.00 64.86 66.28 3pck h ILE 19 Cb 0.28 0.69 -0.03 0.00 -0.27 0.00 0.00 36.82 37.49 3pck h ILE 19 CO -0.10 0.06 -1.88 0.61 -1.05 0.00 0.00 178.15 175.78 3pck n GLY 20 N -1.51 -0.61 0.23 0.16 0.00 -0.76 -4.57 105.19 98.13 3pck n GLY 20 Ca 0.02 -0.16 0.03 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.76 1.51 -2.83 0.99 4.77 0.11 -4.79 117.00 113.00 3pck n LEU 21 Ca -0.35 -1.04 -0.11 0.00 -0.03 0.00 0.00 56.01 54.48 3pck n LEU 21 Cb 0.94 -0.00 0.06 0.00 -2.33 0.00 0.00 43.42 42.08 3pck n LEU 21 CO 0.33 0.32 0.21 0.00 -1.33 0.00 0.00 177.39 176.92 3pck n ALA 22 N 0.31 -0.00 -0.33 -1.18 0.00 0.17 -4.97 120.51 114.51 3pck n ALA 22 Ca 0.03 -1.92 -0.05 0.00 0.00 0.00 0.00 53.44 51.50 3pck n ALA 22 Cb 0.15 -1.10 -0.03 0.00 0.00 0.00 0.00 19.45 18.47 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 -0.70 -0.13 0.00 4.32 -0.72 -0.70 117.00 119.36 3pck n LEU 23 Ca 0.10 1.43 -0.10 0.00 -0.02 0.00 0.00 56.01 57.42 3pck n LEU 23 Cb 0.70 -0.25 -0.05 0.00 -1.62 0.00 0.00 43.42 42.20 3pck n LEU 23 CO 0.08 -1.22 0.57 1.05 -1.22 0.00 0.00 177.39 176.65 3pck h GLU 24 N 0.00 -0.31 -0.83 3.23 -0.00 -1.86 -1.70 114.58 113.11 3pck h GLU 24 Ca 0.20 0.02 0.15 0.00 -0.00 0.00 0.00 59.36 59.73 3pck h GLU 24 Cb 0.41 0.07 -0.10 0.00 -0.00 0.00 0.00 28.75 29.13 3pck h GLU 24 CO -0.78 -0.20 0.41 0.00 -0.00 0.00 0.00 179.01 178.43 3pck h ALA 25 N 0.44 1.25 0.00 1.06 0.00 -1.24 0.57 119.26 121.34 3pck h ALA 25 Ca 0.14 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3pck h ALA 25 Cb 0.58 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3pck h ALA 25 CO -0.58 -0.12 0.00 0.00 0.00 0.00 0.00 179.25 178.54 3pck h ALA 26 N 1.56 1.00 -1.90 0.00 0.00 -0.62 -3.45 119.26 115.85 3pck h ALA 26 Ca 0.46 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.30 3pck h ALA 26 Cb 0.67 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.48 3pck h ALA 26 CO -0.38 0.00 -0.12 0.41 0.00 0.00 0.00 179.25 179.16 3pck n GLY 27 N -0.90 0.67 3.41 0.00 0.00 0.20 -4.95 105.19 103.62 3pck n GLY 27 Ca -0.02 -0.51 -0.22 0.00 0.00 0.00 0.00 46.02 45.27 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 -3.07 3.15 0.43 1.61 0.01 -0.84 -5.04 114.94 111.20 3pck s ASN 28 Ca 0.10 -1.00 -0.26 0.00 -0.71 0.00 0.00 52.86 50.99 3pck s ASN 28 Cb -0.04 -0.23 -0.09 0.00 0.41 0.00 0.00 41.25 41.30 3pck s ASN 28 CO 0.13 -0.03 1.44 -2.84 -1.51 0.00 0.00 177.10 174.28 3pck s PRO 29 N -3.41 3.78 0.42 -0.60 0.02 -1.26 -3.88 135.00 130.07 3pck s PRO 29 Ca 0.25 2.44 0.05 0.00 0.02 0.00 0.00 61.00 63.77 3pck s PRO 29 Cb -0.04 -2.72 0.01 0.00 0.02 0.00 0.00 34.50 31.76 3pck s PRO 29 CO 0.11 -0.75 0.58 0.95 -0.33 0.00 0.00 177.00 177.56 3pck s THR 30 N -1.19 3.49 0.62 0.99 -4.23 -1.26 -4.85 115.64 109.22 3pck s THR 30 Ca 0.59 -0.86 0.00 0.00 -1.18 0.00 0.00 61.69 60.24 3pck s THR 30 Cb -0.44 -3.22 0.07 0.00 1.34 0.00 0.00 72.50 70.24 3pck s THR 30 CO 0.57 -0.11 0.87 -0.13 -0.54 0.00 0.00 174.62 175.28 3pck s ARG 31 N -4.39 2.21 0.21 3.99 0.52 -1.26 -5.01 118.95 115.23 3pck s ARG 31 Ca 0.51 -0.88 -0.09 0.00 -0.52 0.00 0.00 55.73 54.75 3pck s ARG 31 Cb -0.10 -2.42 0.28 0.00 0.52 0.00 0.00 34.95 33.24 3pck s ARG 31 CO 0.34 -1.01 1.77 -0.44 0.02 0.00 0.00 175.30 175.98 3pck h ASP 32 N -0.18 0.36 -3.30 0.23 3.32 -2.07 -3.40 116.42 111.37 3pck h ASP 32 Ca -0.40 0.06 -0.62 0.00 0.02 0.00 0.00 57.03 56.09 3pck h ASP 32 Cb 1.29 0.01 -0.34 0.00 0.22 0.00 0.00 39.33 40.51 3pck h ASP 32 CO 0.48 0.21 -0.85 -1.10 -1.72 0.00 0.00 179.24 176.27 3pck s GLN 33 N -6.08 2.52 0.01 3.56 -0.21 -1.26 -5.13 119.66 113.07 3pck s GLN 33 Ca -0.13 -0.68 0.03 0.00 0.02 0.00 0.00 55.36 54.60 3pck s GLN 33 Cb 0.17 -2.02 -0.01 0.00 1.00 0.00 0.00 33.01 32.14 3pck s GLN 33 CO 0.75 0.04 -0.10 -1.21 -2.12 0.00 0.00 175.29 172.65 3pck s GLU 34 N 0.70 0.73 -0.44 2.91 0.41 -1.26 -5.12 118.70 116.62 3pck s GLU 34 Ca -0.12 -0.50 -0.24 0.00 -0.41 0.00 0.00 54.97 53.71 3pck s GLU 34 Cb -0.16 -0.68 0.02 0.00 -1.78 0.00 0.00 34.13 31.53 3pck s GLU 34 CO 0.03 0.18 0.83 0.42 -0.49 0.00 0.00 175.26 176.22 3pck s ILE 35 N -0.56 4.61 0.00 -1.63 1.01 -1.26 -5.01 121.20 118.36 3pck s ILE 35 Ca 0.01 0.58 0.00 0.00 0.00 0.00 0.00 60.65 61.24 3pck s ILE 35 Cb -0.06 -4.34 0.00 0.00 0.01 0.00 0.00 42.46 38.07 3pck s ILE 35 CO 0.00 -0.72 0.00 1.87 0.00 0.00 0.00 174.94 176.09 3pck n TRP 36 N 6.81 0.00 0.23 3.97 -0.00 -1.26 -4.58 117.44 122.62 3pck n TRP 36 Ca 0.04 0.00 0.06 0.00 -0.00 0.00 0.00 57.50 57.60 3pck n TRP 36 Cb 0.48 0.00 0.22 0.00 -0.00 0.00 0.00 31.31 32.02 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 3.09 -4.09 5.87 6.94 -0.38 -1.41 115.26 125.28 3pck n ASN 37 Ca 0.00 -2.24 -0.36 0.00 -0.02 0.00 0.00 54.58 51.97 3pck n ASN 37 Cb 0.00 -0.44 -0.08 0.00 -2.36 0.00 0.00 39.78 36.90 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 -1.68 2.86 0.28 -3.83 6.06 -1.26 -0.05 118.95 121.34 3pck s ARG 38 Ca 0.32 -2.91 0.03 0.00 -2.50 0.00 0.00 55.73 50.66 3pck s ARG 38 Cb 0.20 -3.81 0.41 0.00 0.06 0.00 0.00 34.95 31.81 3pck s ARG 38 CO 0.17 -1.22 1.72 -0.07 -2.50 0.00 0.00 175.30 173.39 3pck h LEU 39 N 6.47 0.47 -8.69 -0.88 4.07 -0.91 -3.45 115.31 112.39 3pck h LEU 39 Ca 0.07 -0.16 -0.66 0.00 0.08 0.00 0.00 57.88 57.21 3pck h LEU 39 Cb 0.88 -0.13 -0.26 0.00 1.08 0.00 0.00 40.66 42.23 3pck h LEU 39 CO 0.77 0.73 -0.87 0.00 -1.08 0.00 0.00 178.44 177.99 3pck s ALA 40 N -4.47 2.12 0.26 1.53 0.00 -1.17 0.11 121.76 120.15 3pck s ALA 40 Ca -0.07 -1.22 -0.07 0.00 0.00 0.00 0.00 51.96 50.60 3pck s ALA 40 Cb 0.14 -0.43 -0.06 0.00 0.00 0.00 0.00 23.12 22.76 3pck s ALA 40 CO 0.79 0.49 0.55 0.15 0.00 0.00 0.00 175.76 177.75 3pck s LYS 41 N -1.27 3.70 0.45 0.00 1.02 0.16 -4.83 119.74 118.97 3pck s LYS 41 Ca 0.11 0.13 0.30 0.00 0.02 0.00 0.00 55.97 56.52 3pck s LYS 41 Cb -0.10 -2.64 1.39 0.00 -0.52 0.00 0.00 37.83 35.96 3pck s LYS 41 CO 0.02 0.25 1.68 -1.35 -0.92 0.00 0.00 175.35 175.03 3pck h PRO 42 N 2.04 0.14 -0.79 -1.68 0.11 -2.00 0.24 132.00 130.07 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 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3pck h PRO 42 CO 0.67 0.09 0.00 -0.40 -0.21 0.00 0.00 178.00 178.16 3pck n ASP 43 N -4.55 2.63 -4.75 -2.05 5.75 -1.26 -4.89 116.55 107.42 3pck n ASP 43 Ca 0.34 -2.31 -0.39 0.00 -0.01 0.00 0.00 54.79 52.41 3pck n ASP 43 Cb 1.33 -0.53 -0.05 0.00 -1.03 0.00 0.00 41.12 40.84 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 -1.65 3.41 0.57 2.12 0.00 0.86 -5.03 121.76 122.03 3pck s ALA 44 Ca 0.20 0.19 -0.20 0.00 0.00 0.00 0.00 51.96 52.15 3pck s ALA 44 Cb 0.15 -2.91 -0.04 0.00 0.00 0.00 0.00 23.12 20.32 3pck s ALA 44 CO 0.07 0.09 1.23 -1.25 0.00 0.00 0.00 175.76 175.89 3pck s PRO 45 N -0.04 3.08 0.00 0.00 0.04 -1.26 -4.86 135.00 131.96 3pck s PRO 45 Ca 0.36 1.89 0.00 0.00 0.04 0.00 0.00 61.00 63.29 3pck s PRO 45 Cb -0.20 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.31 3pck s PRO 45 CO 0.21 -1.14 0.00 0.41 0.04 0.00 0.00 177.00 176.52 3pck n GLY 46 N 0.55 1.39 3.56 0.56 0.00 -1.26 -4.64 105.19 105.36 3pck n GLY 46 Ca 0.12 -2.17 -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 -1.51 3.54 0.09 1.61 2.12 -1.26 -4.95 118.70 118.34 3pck s GLU 47 Ca 0.00 0.12 -0.31 0.00 0.36 0.00 0.00 54.97 55.14 3pck s GLU 47 Cb 0.00 -3.91 -0.08 0.00 0.26 0.00 0.00 34.13 30.41 3pck s GLU 47 CO 0.00 -1.12 1.44 -1.01 -0.54 0.00 0.00 175.26 174.03 3pck s HIS 48 N 3.50 3.05 0.06 5.30 3.76 -1.26 -1.16 115.29 128.54 3pck s HIS 48 Ca 0.34 0.81 -0.00 0.00 -0.15 0.00 0.00 55.06 56.06 3pck s HIS 48 Cb -0.11 -3.74 -0.04 0.00 1.11 0.00 0.00 32.58 29.80 3pck s HIS 48 CO 0.23 -2.69 -0.04 0.96 -0.85 0.00 0.00 174.74 172.35 3pck s ILE 49 N 1.55 0.33 -0.12 0.60 -4.36 -0.46 -4.69 121.20 114.05 3pck s ILE 49 Ca 0.66 -1.75 0.01 0.00 -0.26 0.00 0.00 60.65 59.31 3pck s ILE 49 Cb -0.37 -1.44 -0.01 0.00 1.25 0.00 0.00 42.46 41.89 3pck s ILE 49 CO 0.30 -0.92 -0.15 -0.22 0.24 0.00 0.00 174.94 174.20 3pck s LEU 50 N -2.80 2.64 -0.03 0.37 2.96 -0.89 -2.07 118.68 118.86 3pck s LEU 50 Ca 0.06 -0.34 0.05 0.00 -0.22 0.00 0.00 54.13 53.67 3pck s LEU 50 Cb 0.06 -1.58 -0.03 0.00 0.50 0.00 0.00 46.19 45.14 3pck s LEU 50 CO -0.08 0.18 -0.15 -0.76 -1.32 0.00 0.00 176.35 174.22 3pck s LEU 51 N 0.23 2.69 -0.02 -0.68 1.43 -0.69 -1.22 118.68 120.43 3pck s LEU 51 Ca -0.10 -0.25 -0.20 0.00 -1.03 0.00 0.00 54.13 52.55 3pck s LEU 51 Cb -0.16 -1.55 0.04 0.00 0.03 0.00 0.00 46.19 44.55 3pck s LEU 51 CO 0.06 0.32 0.43 -1.48 0.23 0.00 0.00 176.35 175.91 3pck s LEU 52 N -0.90 0.37 0.10 1.79 -0.00 -0.84 -1.27 118.68 117.94 3pck s LEU 52 Ca 0.12 0.28 -0.26 0.00 -0.00 0.00 0.00 54.13 54.27 3pck s LEU 52 Cb -0.11 1.67 0.09 0.00 -0.00 0.00 0.00 46.19 47.84 3pck s LEU 52 CO 0.02 -0.50 1.09 -0.83 -0.00 0.00 0.00 176.35 176.13 3pck s GLY 53 N -1.30 -0.22 0.08 -3.48 0.00 -1.10 -0.85 107.32 100.44 3pck s GLY 53 Ca -0.13 0.20 0.06 0.00 0.00 0.00 0.00 44.72 44.86 3pck s GLY 53 CO 0.06 0.80 -0.16 1.20 0.00 0.00 0.00 173.10 175.00 3pck s GLN 54 N -2.74 0.90 -0.13 2.90 -0.21 -1.26 -1.44 119.66 117.68 3pck s GLN 54 Ca 0.16 -1.01 0.00 0.00 0.02 0.00 0.00 55.36 54.53 3pck s GLN 54 Cb 0.00 -0.98 -0.01 0.00 1.00 0.00 0.00 33.01 33.02 3pck s GLN 54 CO 0.01 0.22 -0.14 0.08 -2.12 0.00 0.00 175.29 173.34 3pck s VAL 55 N -1.23 2.88 -0.05 1.09 1.01 -1.26 -0.77 120.40 122.06 3pck s VAL 55 Ca 0.00 -0.72 0.04 0.00 0.00 0.00 0.00 61.98 61.31 3pck s VAL 55 Cb -0.10 -2.20 -0.02 0.00 0.00 0.00 0.00 36.38 34.06 3pck s VAL 55 CO 0.03 0.52 -0.18 -0.31 0.00 0.00 0.00 175.10 175.16 3pck s TYR 56 N 0.46 2.60 0.72 5.22 2.02 0.04 -0.12 117.35 128.28 3pck s TYR 56 Ca -0.10 -0.36 -0.06 0.00 -0.37 0.00 0.00 57.07 56.17 3pck s TYR 56 Cb -0.16 -1.62 0.09 0.00 -0.40 0.00 0.00 41.96 39.86 3pck s TYR 56 CO 0.05 0.03 1.02 0.16 -1.57 0.00 0.00 175.55 175.24 3pck s ASP 57 N -0.48 4.57 0.51 2.29 1.47 0.15 -0.41 116.67 124.77 3pck s ASP 57 Ca 0.06 0.23 0.33 0.00 1.18 0.00 0.00 52.55 54.35 3pck s ASP 57 Cb -0.12 -0.79 1.79 0.00 -0.34 0.00 0.00 42.92 43.47 3pck s ASP 57 CO 0.01 -1.74 2.00 1.23 0.68 0.00 0.00 175.17 177.36 3pck h GLY 58 N -0.65 0.00 -2.03 2.12 0.00 -1.88 -1.06 103.07 99.58 3pck h GLY 58 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.90 3pck h GLY 58 CO 0.53 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.77 3pck n ASN 59 N -2.69 3.13 0.00 0.19 3.02 -1.26 -4.74 115.26 112.91 3pck n ASN 59 Ca -0.02 -1.96 0.00 0.00 -0.03 0.00 0.00 54.58 52.57 3pck n ASN 59 Cb 0.09 -0.16 0.00 0.00 -0.61 0.00 0.00 39.78 39.10 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 1.43 0.59 3.86 7.41 0.00 -0.40 -5.04 105.19 113.03 3pck n GLY 60 Ca 0.18 -0.19 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 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 3.62 0.33 1.61 3.76 -1.25 -4.83 115.29 116.53 3pck s HIS 61 Ca 0.00 0.79 -0.29 0.00 -0.15 0.00 0.00 55.06 55.41 3pck s HIS 61 Cb 0.00 -2.15 -0.11 0.00 1.11 0.00 0.00 32.58 31.43 3pck s HIS 61 CO 0.00 0.59 1.44 -0.51 -0.85 0.00 0.00 174.74 175.41 3pck s LEU 62 N -1.59 4.36 -0.59 0.89 1.43 -1.26 -0.68 118.68 121.24 3pck s LEU 62 Ca 0.28 2.88 -0.16 0.00 -1.03 0.00 0.00 54.13 56.10 3pck s LEU 62 Cb -0.14 -3.65 0.14 0.00 0.03 0.00 0.00 46.19 42.56 3pck s LEU 62 CO 0.15 -0.75 0.58 -0.69 0.23 0.00 0.00 176.35 175.87 3pck s VAL 63 N -0.82 5.19 -2.03 -1.59 1.01 0.82 -4.84 120.40 118.15 3pck s VAL 63 Ca 0.54 -1.55 0.29 0.00 0.00 0.00 0.00 61.98 61.26 3pck s VAL 63 Cb -0.44 -4.39 0.61 0.00 0.00 0.00 0.00 36.38 32.16 3pck s VAL 63 CO 0.55 -0.94 1.91 0.54 0.00 0.00 0.00 175.10 177.16 3pck n ARG 64 N 5.27 1.10 -0.48 2.72 1.74 -1.26 -3.84 116.66 121.91 3pck n ARG 64 Ca -0.09 -0.42 0.07 0.00 -0.77 0.00 0.00 57.85 56.64 3pck n ARG 64 Cb 0.41 -1.49 0.19 0.00 -1.02 0.00 0.00 32.46 30.56 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 -0.59 1.92 -4.84 0.55 5.68 -1.26 -4.04 116.55 113.96 3pck n ASP 65 Ca 0.19 -3.70 -0.32 0.00 -0.50 0.00 0.00 54.79 50.45 3pck n ASP 65 Cb 0.26 -0.51 -0.05 0.00 -1.14 0.00 0.00 41.12 39.68 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 -3.11 6.75 -0.04 -1.12 1.04 -1.25 -4.57 113.70 111.40 3pck s SER 66 Ca 0.37 1.59 0.02 0.00 0.48 0.00 0.00 55.95 58.41 3pck s SER 66 Cb 0.35 -2.51 0.01 0.00 0.10 0.00 0.00 66.02 63.97 3pck s SER 66 CO -0.04 -0.48 -0.10 0.12 0.98 0.00 0.00 173.24 173.73 3pck s PHE 67 N -2.42 1.06 0.04 5.02 5.36 0.07 -2.41 117.98 124.70 3pck s PHE 67 Ca 0.60 -0.30 0.03 0.00 -0.96 0.00 0.00 56.93 56.30 3pck s PHE 67 Cb -0.10 -0.77 -0.02 0.00 -0.34 0.00 0.00 43.02 41.79 3pck s PHE 67 CO 0.24 -0.14 -0.09 -0.51 -1.46 0.00 0.00 175.22 173.25 3pck s LEU 68 N 0.35 2.22 -0.05 6.12 1.02 0.25 -0.58 118.68 128.01 3pck s LEU 68 Ca -0.06 -0.49 0.05 0.00 0.02 0.00 0.00 54.13 53.65 3pck s LEU 68 Cb -0.11 -0.28 -0.01 0.00 0.02 0.00 0.00 46.19 45.82 3pck s LEU 68 CO 0.01 -0.12 -0.22 -1.61 0.02 0.00 0.00 176.35 174.43 3pck s GLU 69 N -1.37 2.19 0.03 1.70 2.02 -0.49 -1.15 118.70 121.64 3pck s GLU 69 Ca -0.06 -0.77 0.08 0.00 0.02 0.00 0.00 54.97 54.24 3pck s GLU 69 Cb -0.09 -1.88 -0.03 0.00 0.10 0.00 0.00 34.13 32.24 3pck s GLU 69 CO 0.01 0.33 -0.23 0.14 0.02 0.00 0.00 175.26 175.52 3pck s VAL 70 N -0.09 1.89 -0.10 2.63 -7.23 0.16 -1.31 120.40 116.35 3pck s VAL 70 Ca -0.03 -1.23 -0.01 0.00 -1.81 0.00 0.00 61.98 58.89 3pck s VAL 70 Cb -0.13 -1.62 0.03 0.00 0.56 0.00 0.00 36.38 35.23 3pck s VAL 70 CO 0.03 0.33 -0.01 0.86 -0.31 0.00 0.00 175.10 176.00 3pck s TRP 71 N -0.75 0.93 0.02 2.82 -0.11 -0.58 -1.54 118.94 119.74 3pck s TRP 71 Ca 0.09 -0.40 -0.05 0.00 1.22 0.00 0.00 56.10 56.97 3pck s TRP 71 Cb -0.09 -0.94 -0.01 0.00 -1.50 0.00 0.00 33.47 30.92 3pck s TRP 71 CO 0.01 -0.41 0.07 1.14 -4.62 0.00 0.00 176.95 173.15 3pck s GLN 72 N 1.89 0.50 0.74 5.86 -2.07 -0.13 -0.80 119.66 125.64 3pck s GLN 72 Ca 0.04 -0.64 -0.11 0.00 -1.82 0.00 0.00 55.36 52.83 3pck s GLN 72 Cb -0.13 0.19 0.03 0.00 -1.09 0.00 0.00 33.01 32.02 3pck s GLN 72 CO -0.06 -0.11 1.07 0.00 -1.32 0.00 0.00 175.29 174.87 3pck s ALA 73 N -2.07 2.51 0.98 2.60 0.00 -1.26 -4.47 121.76 120.06 3pck s ALA 73 Ca -0.10 -0.03 -0.07 0.00 0.00 0.00 0.00 51.96 51.76 3pck s ALA 73 Cb -0.05 -3.15 0.10 0.00 0.00 0.00 0.00 23.12 20.03 3pck s ALA 73 CO -0.02 -1.42 0.61 -0.40 0.00 0.00 0.00 175.76 174.52 3pck n ASP 74 N -3.25 0.06 -0.11 0.00 5.68 0.20 -4.39 116.55 114.74 3pck n ASP 74 Ca 0.07 -1.23 0.16 0.00 -0.50 0.00 0.00 54.79 53.30 3pck n ASP 74 Cb 0.55 -0.46 0.56 0.00 -1.14 0.00 0.00 41.12 40.62 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 -1.86 2.21 -0.27 2.12 0.00 -1.82 0.42 119.26 120.05 3pck h ALA 75 Ca -0.20 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3pck h ALA 75 Cb 0.55 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3pck h ALA 75 CO 0.14 -0.39 0.00 0.09 0.00 0.00 0.00 179.25 179.09 3pck n ASN 76 N -4.45 1.65 -2.31 0.00 3.02 -1.26 -3.16 115.26 108.76 3pck n ASN 76 Ca 0.13 -2.04 -0.15 0.00 -0.03 0.00 0.00 54.58 52.48 3pck n ASN 76 Cb 0.53 -0.23 0.04 0.00 -0.61 0.00 0.00 39.78 39.51 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 0.86 -0.04 3.27 7.41 0.00 0.93 -4.78 105.19 112.85 3pck n GLY 77 Ca 0.10 -0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 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 -5.63 2.83 -0.32 1.61 2.12 -1.24 -4.69 118.70 113.39 3pck s GLU 78 Ca 0.31 -0.86 -0.25 0.00 0.36 0.00 0.00 54.97 54.52 3pck s GLU 78 Cb -0.14 -2.27 0.01 0.00 0.26 0.00 0.00 34.13 31.99 3pck s GLU 78 CO 0.38 0.29 0.88 0.71 -0.54 0.00 0.00 175.26 176.99 3pck s TYR 79 N 0.07 3.17 -0.75 5.30 2.02 -1.26 0.62 117.35 126.52 3pck s TYR 79 Ca -0.10 0.90 -0.16 0.00 -0.37 0.00 0.00 57.07 57.35 3pck s TYR 79 Cb -0.16 -3.40 0.17 0.00 -0.40 0.00 0.00 41.96 38.17 3pck s TYR 79 CO 0.06 -0.66 0.76 -0.65 -1.57 0.00 0.00 175.55 173.49 3pck s GLN 80 N 3.21 3.39 0.24 -0.62 -1.52 -1.26 -4.90 119.66 118.20 3pck s GLN 80 Ca 0.37 -2.03 0.17 0.00 -1.95 0.00 0.00 55.36 51.92 3pck s GLN 80 Cb -0.13 -4.45 0.05 0.00 -0.22 0.00 0.00 33.01 28.25 3pck s GLN 80 CO 0.14 -1.41 1.30 0.38 -0.25 0.00 0.00 175.29 175.45 3pck h ASP 81 N 8.38 0.00 -0.90 5.90 2.03 -1.97 -3.27 116.42 126.59 3pck h ASP 81 Ca -0.03 0.00 -0.47 0.00 -0.73 0.00 0.00 57.03 55.80 3pck h ASP 81 Cb 1.06 0.00 -0.07 0.00 -0.83 0.00 0.00 39.33 39.48 3pck h ASP 81 CO 0.92 0.43 1.22 0.00 -1.03 0.00 0.00 179.24 180.78 3pck s ALA 82 N -3.01 2.29 0.04 4.15 0.00 -1.26 -4.94 121.76 119.02 3pck s ALA 82 Ca 0.02 -2.00 -0.30 0.00 0.00 0.00 0.00 51.96 49.68 3pck s ALA 82 Cb 0.08 -4.56 -0.07 0.00 0.00 0.00 0.00 23.12 18.56 3pck s ALA 82 CO 0.75 -4.16 1.63 -0.47 0.00 0.00 0.00 175.76 173.51 3pck s TYR 83 N 7.29 2.35 -0.26 0.00 5.04 -1.26 -5.00 117.35 125.51 3pck s TYR 83 Ca 0.57 0.33 -0.15 0.00 -2.44 0.00 0.00 57.07 55.38 3pck s TYR 83 Cb -0.02 -3.93 0.08 0.00 0.35 0.00 0.00 41.96 38.43 3pck s TYR 83 CO -0.04 -3.75 0.65 1.21 -1.34 0.00 0.00 175.55 172.28 3pck s ASN 84 N 2.58 -0.88 0.64 4.32 3.84 -1.26 -5.02 114.94 119.16 3pck s ASN 84 Ca 0.73 1.42 0.43 0.00 0.21 0.00 0.00 52.86 55.65 3pck s ASN 84 Cb -0.38 1.30 2.27 0.00 -0.55 0.00 0.00 41.25 43.89 3pck s ASN 84 CO 0.31 -0.23 2.30 -0.07 -2.79 0.00 0.00 177.10 176.62 3pck h LEU 85 N 6.99 0.00 0.00 3.21 3.38 -1.97 -1.40 115.31 125.52 3pck h LEU 85 Ca -0.31 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.55 3pck h LEU 85 Cb 1.22 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.96 3pck h LEU 85 CO 0.18 0.00 -0.55 -0.33 0.09 0.00 0.00 178.44 177.83 3pck h GLU 86 N 0.00 0.00 -6.94 1.13 5.08 -2.00 -3.47 114.58 108.39 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 0.06 0.00 0.15 0.00 0.50 0.00 0.00 28.75 29.46 3pck h GLU 86 CO 0.00 0.52 0.40 0.09 -1.00 0.00 0.00 179.01 179.02 3pck n ASN 87 N -3.22 1.89 0.22 1.42 3.02 -0.53 -4.91 115.26 113.15 3pck n ASN 87 Ca 0.02 0.92 0.12 0.00 -0.03 0.00 0.00 54.58 55.60 3pck n ASN 87 Cb 0.75 -1.49 0.17 0.00 -0.61 0.00 0.00 39.78 38.59 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 1.07 0.99 -2.76 5.41 0.00 -1.90 -3.44 119.26 118.62 3pck h ALA 88 Ca -0.49 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.26 3pck h ALA 88 Cb 1.33 -0.00 -0.27 0.00 0.00 0.00 0.00 17.79 18.85 3pck h ALA 88 CO 0.55 0.03 -0.34 0.12 0.00 0.00 0.00 179.25 179.61 3pck s PHE 89 N -3.20 -0.51 -0.06 0.00 5.36 -1.26 0.36 117.98 118.66 3pck s PHE 89 Ca 0.07 1.13 0.05 0.00 -0.96 0.00 0.00 56.93 57.22 3pck s PHE 89 Cb 0.05 0.20 -0.01 0.00 -0.34 0.00 0.00 43.02 42.92 3pck s PHE 89 CO 0.67 -0.29 -0.24 -0.80 -1.46 0.00 0.00 175.22 173.10 3pck s ASN 90 N 1.16 3.20 0.41 6.13 0.01 0.12 -4.96 114.94 121.00 3pck s ASN 90 Ca -0.08 -0.48 0.28 0.00 -0.71 0.00 0.00 52.86 51.87 3pck s ASN 90 Cb -0.08 -0.92 0.92 0.00 0.41 0.00 0.00 41.25 41.58 3pck s ASN 90 CO -0.10 0.24 1.80 0.28 -1.51 0.00 0.00 177.10 177.81 3pck h SER 91 N 6.08 0.00 -3.70 -1.22 0.02 -1.78 -3.43 113.55 109.52 3pck h SER 91 Ca -0.32 0.00 -0.68 0.00 -0.84 0.00 0.00 61.79 59.95 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 0.00 -0.71 0.12 -1.14 0.00 0.00 176.83 175.58 3pck s PHE 92 N -3.38 2.87 0.25 3.45 5.36 -1.26 -0.96 117.98 124.31 3pck s PHE 92 Ca 0.05 -0.04 -0.16 0.00 -0.96 0.00 0.00 56.93 55.82 3pck s PHE 92 Cb 0.08 -1.65 0.01 0.00 -0.34 0.00 0.00 43.02 41.12 3pck s PHE 92 CO 0.56 0.33 0.56 0.20 -1.46 0.00 0.00 175.22 175.40 3pck s GLY 93 N -1.08 0.30 0.02 13.12 0.00 -0.59 -4.81 107.32 114.28 3pck s GLY 93 Ca 0.14 -0.66 0.01 0.00 0.00 0.00 0.00 44.72 44.21 3pck s GLY 93 CO 0.04 -0.44 -0.04 0.50 0.00 0.00 0.00 173.10 173.16 3pck s ARG 94 N -3.98 0.33 0.23 2.90 0.52 -0.50 -0.67 118.95 117.79 3pck s ARG 94 Ca 0.18 -0.48 -0.17 0.00 -0.52 0.00 0.00 55.73 54.74 3pck s ARG 94 Cb -0.02 -0.09 0.02 0.00 0.52 0.00 0.00 34.95 35.37 3pck s ARG 94 CO 0.08 0.01 0.56 -0.08 0.02 0.00 0.00 175.30 175.89 3pck s THR 95 N -0.99 0.01 0.10 0.02 -1.32 -0.30 -1.25 115.64 111.90 3pck s THR 95 Ca -0.09 -1.02 -0.12 0.00 -1.21 0.00 0.00 61.69 59.25 3pck s THR 95 Cb -0.07 -1.87 0.01 0.00 -1.51 0.00 0.00 72.50 69.06 3pck s THR 95 CO -0.00 -0.05 0.28 0.00 -2.21 0.00 0.00 174.62 172.63 3pck s ALA 96 N -3.93 -0.53 0.13 11.08 0.00 -1.26 -0.58 121.76 126.67 3pck s ALA 96 Ca 0.14 -0.35 -0.17 0.00 0.00 0.00 0.00 51.96 51.58 3pck s ALA 96 Cb -0.02 0.55 -0.07 0.00 0.00 0.00 0.00 23.12 23.58 3pck s ALA 96 CO 0.03 -0.55 0.58 0.95 0.00 0.00 0.00 175.76 176.77 3pck s THR 97 N -3.73 4.78 0.32 0.00 -4.23 -1.01 -4.16 115.64 107.60 3pck s THR 97 Ca 0.03 1.02 -0.29 0.00 -1.18 0.00 0.00 61.69 61.27 3pck s THR 97 Cb 0.03 -3.81 -0.10 0.00 1.34 0.00 0.00 72.50 69.96 3pck s THR 97 CO -0.11 0.35 1.32 0.42 -0.54 0.00 0.00 174.62 176.06 3pck s THR 98 N -1.35 2.73 -0.56 3.99 -4.23 -1.16 -4.66 115.64 110.41 3pck s THR 98 Ca 0.35 0.72 0.21 0.00 -1.18 0.00 0.00 61.69 61.79 3pck s THR 98 Cb -0.17 -3.46 0.21 0.00 1.34 0.00 0.00 72.50 70.43 3pck s THR 98 CO 0.19 0.16 1.64 0.49 -0.54 0.00 0.00 174.62 176.56 3pck n PHE 99 N 1.06 0.63 0.00 3.99 3.72 -1.26 -1.19 117.46 124.41 3pck n PHE 99 Ca 0.01 0.26 0.00 0.00 -0.05 0.00 0.00 57.45 57.67 3pck n PHE 99 Cb 0.42 -0.92 0.00 0.00 -0.94 0.00 0.00 39.48 38.04 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 -2.09 0.00 -0.23 4.37 5.75 -1.26 -4.72 116.55 118.38 3pck n ASP 100 Ca 0.02 0.00 0.25 0.00 -0.01 0.00 0.00 54.79 55.05 3pck n ASP 100 Cb 0.19 0.00 0.62 0.00 -1.03 0.00 0.00 41.12 40.90 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 -2.00 2.56 -1.26 2.12 0.00 -2.00 -3.46 119.26 115.22 3pck h ALA 101 Ca 0.00 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3pck h ALA 101 Cb 0.00 0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.83 3pck h ALA 101 CO 0.00 -0.85 -0.10 0.41 0.00 0.00 0.00 179.25 178.72 3pck n GLY 102 N -1.62 0.55 3.38 0.00 0.00 -0.34 -4.96 105.19 102.21 3pck n GLY 102 Ca 0.20 -0.62 -0.32 0.00 0.00 0.00 0.00 46.02 45.28 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 -4.81 2.47 0.20 1.61 2.12 -1.26 -4.28 118.70 114.75 3pck s GLU 103 Ca 0.06 -0.80 0.06 0.00 0.36 0.00 0.00 54.97 54.65 3pck s GLU 103 Cb -0.02 -2.26 -0.04 0.00 0.26 0.00 0.00 34.13 32.07 3pck s GLU 103 CO 0.07 0.53 0.15 1.67 -0.54 0.00 0.00 175.26 177.13 3pck s TRP 104 N -0.50 3.10 0.00 5.30 1.48 -0.52 -2.97 118.94 124.83 3pck s TRP 104 Ca 0.06 -0.07 -0.03 0.00 -1.06 0.00 0.00 56.10 55.00 3pck s TRP 104 Cb -0.11 -1.45 -0.01 0.00 -1.16 0.00 0.00 33.47 30.75 3pck s TRP 104 CO 0.01 0.52 0.06 0.95 -4.06 0.00 0.00 176.95 174.43 3pck s THR 105 N -1.93 0.07 -0.01 0.66 -4.23 -1.26 -2.73 115.64 106.22 3pck s THR 105 Ca 0.31 -0.59 0.01 0.00 -1.18 0.00 0.00 61.69 60.25 3pck s THR 105 Cb -0.09 -0.28 0.00 0.00 1.34 0.00 0.00 72.50 73.47 3pck s THR 105 CO 0.24 -0.32 -0.05 -0.76 -0.54 0.00 0.00 174.62 173.19 3pck s LEU 106 N -1.02 1.89 -0.31 4.79 1.43 -0.40 -4.81 118.68 120.25 3pck s LEU 106 Ca -0.11 -0.09 -0.05 0.00 -1.03 0.00 0.00 54.13 52.85 3pck s LEU 106 Cb -0.07 -0.27 0.03 0.00 0.03 0.00 0.00 46.19 45.91 3pck s LEU 106 CO 0.00 0.04 0.07 -1.00 0.23 0.00 0.00 176.35 175.69 3pck s HIS 107 N 0.05 3.20 0.00 0.29 3.76 0.93 -1.70 115.29 121.82 3pck s HIS 107 Ca -0.00 -1.37 0.00 0.00 -0.15 0.00 0.00 55.06 53.54 3pck s HIS 107 Cb -0.04 -2.22 0.00 0.00 1.11 0.00 0.00 32.58 31.43 3pck s HIS 107 CO -0.00 -0.69 0.00 -2.37 -0.85 0.00 0.00 174.74 170.82 3pck n THR 108 N 4.79 0.00 -4.14 1.30 5.66 -0.88 -0.27 114.28 120.74 3pck n THR 108 Ca -0.14 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.70 3pck n THR 108 Cb 0.46 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.12 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 -1.21 0.94 0.01 1.08 -7.23 -1.26 -1.35 120.40 111.38 3pck s VAL 109 Ca 0.00 -1.31 -0.30 0.00 -1.81 0.00 0.00 61.98 58.56 3pck s VAL 109 Cb 0.00 -1.00 -0.06 0.00 0.56 0.00 0.00 36.38 35.88 3pck s VAL 109 CO 0.00 -0.32 1.44 -0.75 -0.31 0.00 0.00 175.10 175.16 3pck s LYS 110 N -1.88 4.27 0.61 4.82 2.20 -0.31 -4.90 119.74 124.54 3pck s LYS 110 Ca -0.03 2.03 -0.18 0.00 -0.36 0.00 0.00 55.97 57.43 3pck s LYS 110 Cb -0.09 -3.58 -0.03 0.00 -1.51 0.00 0.00 37.83 32.63 3pck s LYS 110 CO 0.01 -0.60 1.20 -1.25 -0.36 0.00 0.00 175.35 174.35 3pck s PRO 111 N 2.44 2.90 0.75 4.03 0.04 -1.26 -4.25 135.00 139.65 3pck s PRO 111 Ca 0.66 1.78 -0.08 0.00 0.04 0.00 0.00 61.00 63.40 3pck s PRO 111 Cb -0.33 -1.92 0.08 0.00 0.04 0.00 0.00 34.50 32.37 3pck s PRO 111 CO 0.27 -1.26 1.08 0.20 0.04 0.00 0.00 177.00 177.34 3pck s GLY 112 N -1.70 1.68 0.29 0.56 0.00 0.11 -4.74 107.32 103.52 3pck s GLY 112 Ca 0.76 -0.95 -0.28 0.00 0.00 0.00 0.00 44.72 44.26 3pck s GLY 112 CO 0.34 -0.47 1.00 0.14 0.00 0.00 0.00 173.10 174.11 3pck s VAL 113 N -3.38 3.89 0.08 1.40 1.01 -1.26 -4.22 120.40 117.92 3pck s VAL 113 Ca 0.62 1.75 0.05 0.00 0.00 0.00 0.00 61.98 64.41 3pck s VAL 113 Cb -0.10 -4.06 -0.03 0.00 0.00 0.00 0.00 36.38 32.19 3pck s VAL 113 CO 0.46 0.31 -0.13 0.68 0.00 0.00 0.00 175.10 176.42 3pck s VAL 114 N -1.35 1.10 0.22 2.92 -7.23 -1.26 -4.47 120.40 110.35 3pck s VAL 114 Ca 0.47 -1.40 -0.03 0.00 -1.81 0.00 0.00 61.98 59.21 3pck s VAL 114 Cb -0.25 -1.15 -0.05 0.00 0.56 0.00 0.00 36.38 35.49 3pck s VAL 114 CO 0.32 -0.30 0.46 0.20 -0.31 0.00 0.00 175.10 175.47 3pck s ASN 115 N -1.92 6.44 0.97 4.85 0.01 -1.26 -0.10 114.94 123.92 3pck s ASN 115 Ca 0.00 0.58 -0.11 0.00 -0.71 0.00 0.00 52.86 52.61 3pck s ASN 115 Cb -0.08 -2.08 0.17 0.00 0.41 0.00 0.00 41.25 39.66 3pck s ASN 115 CO 0.02 -0.08 0.99 -0.46 -1.51 0.00 0.00 177.10 176.05 3pck n ASN 116 N -0.60 0.17 -0.13 -1.22 6.94 0.17 -4.88 115.26 115.71 3pck n ASN 116 Ca -0.03 -1.41 0.01 0.00 -0.02 0.00 0.00 54.58 53.13 3pck n ASN 116 Cb 0.53 -0.75 0.28 0.00 -2.36 0.00 0.00 39.78 37.49 3pck n ASN 116 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3pck h ALA 117 N -1.72 1.48 0.00 -2.53 0.00 -2.00 -1.99 119.26 112.50 3pck h ALA 117 Ca -0.32 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3pck h ALA 117 Cb 0.90 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3pck h ALA 117 CO 0.23 0.44 0.00 0.00 0.00 0.00 0.00 179.25 179.93 3pck n ALA 118 N -2.45 2.56 -0.61 0.00 0.00 -1.26 -4.90 120.51 113.85 3pck n ALA 118 Ca 0.06 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3pck n ALA 118 Cb 0.09 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.30 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 0.70 0.81 3.73 0.00 0.00 -0.75 -5.05 105.19 104.62 3pck n GLY 119 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.23 4.86 0.30 1.61 1.01 -1.26 -4.70 120.40 118.99 3pck s VAL 120 Ca 0.00 1.69 -0.29 0.00 0.00 0.00 0.00 61.98 63.38 3pck s VAL 120 Cb 0.00 -4.15 -0.10 0.00 0.00 0.00 0.00 36.38 32.13 3pck s VAL 120 CO 0.00 0.27 1.23 -2.84 0.00 0.00 0.00 175.10 173.76 3pck s PRO 121 N 0.50 4.47 0.02 2.72 0.02 -1.26 0.45 135.00 141.91 3pck s PRO 121 Ca 0.42 2.05 -0.01 0.00 0.02 0.00 0.00 61.00 63.48 3pck s PRO 121 Cb -0.20 -3.12 -0.04 0.00 0.02 0.00 0.00 34.50 31.16 3pck s PRO 121 CO 0.23 -0.04 0.16 -1.64 -0.33 0.00 0.00 177.00 175.37 3pck s MET 122 N -1.55 3.29 0.60 5.54 -1.94 0.86 -4.47 119.30 121.61 3pck s MET 122 Ca 0.48 -0.44 -0.17 0.00 -1.71 0.00 0.00 55.69 53.85 3pck s MET 122 Cb -0.37 -2.98 -0.03 0.00 2.01 0.00 0.00 34.83 33.46 3pck s MET 122 CO 0.48 0.64 1.11 0.00 -0.01 0.00 0.00 175.02 177.23 3pck s ALA 123 N -1.36 2.61 0.07 3.03 0.00 -1.26 -4.00 121.76 120.85 3pck s ALA 123 Ca 0.29 0.64 -0.37 0.00 0.00 0.00 0.00 51.96 52.52 3pck s ALA 123 Cb -0.13 -3.32 -0.17 0.00 0.00 0.00 0.00 23.12 19.50 3pck s ALA 123 CO 0.21 -0.97 1.27 -2.30 0.00 0.00 0.00 175.76 173.97 3pck n PRO 124 N -1.85 0.91 -3.57 0.00 -0.02 -1.26 -4.90 135.00 124.31 3pck n PRO 124 Ca 0.11 0.33 -0.12 0.00 -2.02 0.00 0.00 63.50 61.79 3pck n PRO 124 Cb 0.52 -1.93 -0.04 0.00 -0.02 0.00 0.00 33.50 32.02 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 0.35 -0.36 -0.11 6.00 -3.43 -1.26 -4.32 115.29 112.16 3pck s HIS 125 Ca 0.85 0.22 0.03 0.00 -0.80 0.00 0.00 55.06 55.36 3pck s HIS 125 Cb -1.02 0.35 -0.01 0.00 -1.43 0.00 0.00 32.58 30.48 3pck s HIS 125 CO 0.49 -0.70 -0.19 0.42 -2.00 0.00 0.00 174.74 172.75 3pck s ILE 126 N -3.19 2.48 0.03 -5.38 1.01 -0.68 -4.63 121.20 110.84 3pck s ILE 126 Ca -0.01 -0.87 -0.22 0.00 0.00 0.00 0.00 60.65 59.54 3pck s ILE 126 Cb 0.00 -1.99 -0.06 0.00 0.01 0.00 0.00 42.46 40.43 3pck s ILE 126 CO -0.08 0.55 0.67 0.20 0.00 0.00 0.00 174.94 176.28 3pck s ASN 127 N 0.27 7.10 -0.03 3.58 0.01 0.02 -0.83 114.94 125.06 3pck s ASN 127 Ca -0.14 1.31 0.03 0.00 -0.71 0.00 0.00 52.86 53.35 3pck s ASN 127 Cb -0.17 -2.41 0.00 0.00 0.41 0.00 0.00 41.25 39.08 3pck s ASN 127 CO 0.07 0.09 -0.11 -0.63 -1.51 0.00 0.00 177.10 175.01 3pck s ILE 128 N -0.27 0.94 -0.14 0.60 1.01 0.36 -1.52 121.20 122.18 3pck s ILE 128 Ca 0.34 -0.45 0.02 0.00 0.00 0.00 0.00 60.65 60.56 3pck s ILE 128 Cb -0.19 -0.82 0.01 0.00 0.01 0.00 0.00 42.46 41.47 3pck s ILE 128 CO 0.20 0.28 -0.21 -0.44 0.00 0.00 0.00 174.94 174.77 3pck s SER 129 N 0.11 3.07 -0.15 3.58 0.01 -0.43 -0.59 113.70 119.30 3pck s SER 129 Ca -0.02 -0.60 -0.02 0.00 1.31 0.00 0.00 55.95 56.62 3pck s SER 129 Cb -0.09 -1.42 -0.02 0.00 0.21 0.00 0.00 66.02 64.70 3pck s SER 129 CO 0.01 0.06 -0.08 -0.22 0.41 0.00 0.00 173.24 173.42 3pck s LEU 130 N 0.89 2.99 0.01 2.44 2.96 0.22 -1.39 118.68 126.80 3pck s LEU 130 Ca -0.05 -0.23 0.06 0.00 -0.22 0.00 0.00 54.13 53.68 3pck s LEU 130 Cb -0.15 -1.71 -0.02 0.00 0.50 0.00 0.00 46.19 44.82 3pck s LEU 130 CO -0.03 0.15 -0.18 -0.36 -1.32 0.00 0.00 176.35 174.61 3pck s PHE 131 N 0.45 1.57 -0.05 5.38 0.40 0.26 -1.23 117.98 124.75 3pck s PHE 131 Ca -0.06 -0.32 -0.31 0.00 -0.60 0.00 0.00 56.93 55.64 3pck s PHE 131 Cb -0.15 -0.99 0.13 0.00 0.51 0.00 0.00 43.02 42.52 3pck s PHE 131 CO 0.04 0.01 1.28 0.00 0.70 0.00 0.00 175.22 177.25 3pck s ALA 132 N -0.54 -2.22 0.17 5.36 0.00 -1.26 -0.75 121.76 122.51 3pck s ALA 132 Ca 0.06 0.86 -0.32 0.00 0.00 0.00 0.00 51.96 52.56 3pck s ALA 132 Cb -0.07 0.27 -0.10 0.00 0.00 0.00 0.00 23.12 23.22 3pck s ALA 132 CO 0.00 -0.98 1.63 0.50 0.00 0.00 0.00 175.76 176.91 3pck s ARG 133 N -2.41 4.19 0.00 0.00 3.52 -1.25 -1.07 118.95 121.93 3pck s ARG 133 Ca 0.13 2.44 0.00 0.00 -0.13 0.00 0.00 55.73 58.17 3pck s ARG 133 Cb 0.04 -3.17 0.00 0.00 -1.56 0.00 0.00 34.95 30.26 3pck s ARG 133 CO -0.04 -0.66 0.00 0.41 -0.81 0.00 0.00 175.30 174.20 3pck n GLY 134 N 3.85 0.76 3.33 8.12 0.00 -1.26 -4.99 105.19 114.99 3pck n GLY 134 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.20 4.44 0.06 -0.61 1.01 -0.23 -4.99 121.20 118.68 3pck s ILE 135 Ca 0.00 -1.08 -0.20 0.00 0.00 0.00 0.00 60.65 59.37 3pck s ILE 135 Cb 0.00 -3.57 -0.12 0.00 0.01 0.00 0.00 42.46 38.78 3pck s ILE 135 CO 0.00 -0.35 1.47 0.78 0.00 0.00 0.00 174.94 176.84 3pck h ASN 136 N 8.43 0.32 -3.91 3.58 2.35 -1.90 -3.34 115.58 121.11 3pck h ASN 136 Ca -0.25 -0.34 -0.38 0.00 -0.55 0.00 0.00 56.30 54.78 3pck h ASN 136 Cb 1.09 -0.09 -0.30 0.00 0.05 0.00 0.00 38.32 39.08 3pck h ASN 136 CO 0.71 0.58 -0.77 -0.51 -1.65 0.00 0.00 177.43 175.79 3pck s ILE 137 N -4.85 0.64 0.76 2.81 2.07 -1.26 -3.02 121.20 118.35 3pck s ILE 137 Ca -0.14 -0.32 -0.15 0.00 -1.41 0.00 0.00 60.65 58.64 3pck s ILE 137 Cb 0.06 -0.55 0.04 0.00 0.13 0.00 0.00 42.46 42.14 3pck s ILE 137 CO 0.73 0.19 1.11 0.00 -1.91 0.00 0.00 174.94 175.06 3pck n HIS 138 N 3.07 1.08 -4.17 3.50 1.44 -1.26 -5.01 115.22 113.87 3pck n HIS 138 Ca -0.15 0.40 -0.34 0.00 -2.01 0.00 0.00 57.72 55.61 3pck n HIS 138 Cb 0.56 -2.11 -0.10 0.00 0.12 0.00 0.00 29.99 28.46 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 -4.52 3.64 -0.19 2.39 1.43 -0.37 -4.91 118.68 116.16 3pck s LEU 139 Ca 0.74 0.04 -0.10 0.00 -1.03 0.00 0.00 54.13 53.79 3pck s LEU 139 Cb -0.32 -1.89 -0.05 0.00 0.03 0.00 0.00 46.19 43.96 3pck s LEU 139 CO 0.50 0.21 0.13 -1.00 0.23 0.00 0.00 176.35 176.42 3pck s HIS 140 N 0.13 3.43 0.24 0.29 3.76 -1.26 -0.61 115.29 121.28 3pck s HIS 140 Ca 0.03 0.35 -0.00 0.00 -0.15 0.00 0.00 55.06 55.29 3pck s HIS 140 Cb -0.13 -2.13 -0.03 0.00 1.11 0.00 0.00 32.58 31.40 3pck s HIS 140 CO 0.01 0.35 0.21 -0.08 -0.85 0.00 0.00 174.74 174.38 3pck s THR 141 N 0.19 0.00 0.03 1.30 -1.32 0.25 -0.01 115.64 116.07 3pck s THR 141 Ca 0.09 -1.93 0.05 0.00 -1.21 0.00 0.00 61.69 58.69 3pck s THR 141 Cb -0.11 -2.48 -0.02 0.00 -1.51 0.00 0.00 72.50 68.38 3pck s THR 141 CO -0.01 0.00 -0.15 -0.13 -2.21 0.00 0.00 174.62 172.12 3pck s ARG 142 N -3.92 1.04 -0.25 7.08 0.52 -1.26 -0.49 118.95 121.67 3pck s ARG 142 Ca 0.38 -0.72 -0.07 0.00 -0.52 0.00 0.00 55.73 54.80 3pck s ARG 142 Cb 0.05 -1.05 -0.02 0.00 0.52 0.00 0.00 34.95 34.45 3pck s ARG 142 CO 0.16 0.27 0.06 -1.17 0.02 0.00 0.00 175.30 174.63 3pck s LEU 143 N -0.95 3.42 0.34 2.53 0.20 -0.01 -4.76 118.68 119.45 3pck s LEU 143 Ca 0.03 -0.30 0.08 0.00 0.69 0.00 0.00 54.13 54.63 3pck s LEU 143 Cb -0.07 -1.89 -0.04 0.00 -0.43 0.00 0.00 46.19 43.76 3pck s LEU 143 CO 0.01 -0.05 0.20 -0.31 -0.29 0.00 0.00 176.35 175.90 3pck s TYR 144 N 1.58 2.78 -0.11 5.38 1.51 0.17 -1.69 117.35 126.97 3pck s TYR 144 Ca 0.06 -0.35 -0.02 0.00 -1.01 0.00 0.00 57.07 55.75 3pck s TYR 144 Cb -0.15 -1.70 -0.03 0.00 -0.11 0.00 0.00 41.96 39.97 3pck s TYR 144 CO 0.02 0.28 -0.05 -0.06 -1.11 0.00 0.00 175.55 174.64 3pck s PHE 145 N -2.38 3.01 0.46 2.71 0.40 -1.26 -0.16 117.98 120.76 3pck s PHE 145 Ca 0.39 -0.13 0.30 0.00 -0.60 0.00 0.00 56.93 56.89 3pck s PHE 145 Cb -0.04 -1.85 1.63 0.00 0.51 0.00 0.00 43.02 43.28 3pck s PHE 145 CO 0.24 0.15 2.14 0.38 0.70 0.00 0.00 175.22 178.83 3pck h ASP 146 N 5.99 0.00 -0.26 1.36 2.03 -1.58 -2.20 116.42 121.76 3pck h ASP 146 Ca -0.40 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.90 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 0.58 0.07 0.00 -0.90 -1.03 0.00 0.00 179.24 177.96 3pck n ASP 147 N -3.59 1.39 -1.51 4.15 5.68 -1.26 -3.60 116.55 117.81 3pck n ASP 147 Ca -0.02 -1.98 -0.13 0.00 -0.50 0.00 0.00 54.79 52.15 3pck n ASP 147 Cb 0.19 -0.17 0.10 0.00 -1.14 0.00 0.00 41.12 40.10 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 0.26 2.75 -0.22 0.11 -0.58 -0.83 -4.82 120.64 117.31 3pck n GLU 148 Ca 0.09 -3.75 0.01 0.00 -0.42 0.00 0.00 57.16 53.09 3pck n GLU 148 Cb 0.22 -2.03 0.09 0.00 -0.57 0.00 0.00 31.44 29.15 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 1.68 0.53 -0.35 0.62 0.00 -1.75 0.19 119.26 120.18 3pck h ALA 149 Ca 0.26 0.23 0.05 0.00 0.00 0.00 0.00 54.91 55.45 3pck h ALA 149 Cb 1.35 0.43 -0.04 0.00 0.00 0.00 0.00 17.79 19.53 3pck h ALA 149 CO 0.54 -0.42 0.09 1.96 0.00 0.00 0.00 179.25 181.42 3pck h GLN 150 N 0.04 0.21 -0.38 0.00 4.20 -1.93 -1.77 115.11 115.48 3pck h GLN 150 Ca 0.33 -0.01 -0.13 0.00 0.06 0.00 0.00 58.65 58.89 3pck h GLN 150 Cb 0.52 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 3pck h GLN 150 CO -0.62 0.14 -0.27 0.00 -0.67 0.00 0.00 178.83 177.41 3pck h ALA 151 N 1.25 0.54 -0.95 3.87 0.00 -1.80 -3.16 119.26 119.02 3pck h ALA 151 Ca 0.16 -0.40 0.08 0.00 0.00 0.00 0.00 54.91 54.75 3pck h ALA 151 Cb 0.17 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 17.77 3pck h ALA 151 CO -0.20 0.55 0.60 -0.91 0.00 0.00 0.00 179.25 179.29 3pck h ASN 152 N 0.65 0.93 0.19 0.00 2.35 -0.33 -1.40 115.58 117.96 3pck h ASN 152 Ca 0.07 0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.82 3pck h ASN 152 Cb 0.84 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 39.04 3pck h ASN 152 CO 0.07 0.56 -0.11 0.00 -1.65 0.00 0.00 177.43 176.30 3pck h ALA 153 N 1.46 1.56 -0.01 -0.83 0.00 -1.29 -2.83 119.26 117.33 3pck h ALA 153 Ca 0.43 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.24 3pck h ALA 153 Cb 0.26 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3pck h ALA 153 CO -0.20 0.14 -0.41 1.63 0.00 0.00 0.00 179.25 180.41 3pck n LYS 154 N -4.04 1.17 -1.67 0.00 5.02 -0.58 -4.92 118.16 113.14 3pck n LYS 154 Ca -0.02 -0.91 -0.44 0.00 -2.02 0.00 0.00 58.31 54.91 3pck n LYS 154 Cb 0.20 -1.48 -0.04 0.00 -0.02 0.00 0.00 35.03 33.69 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 9.69 0.00 0.00 0.00 0.13 -1.92 -0.45 132.00 139.46 3pck h PRO 156 Ca -0.49 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.60 3pck h PRO 156 Cb 1.25 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 3pck h PRO 156 CO 0.94 0.07 -0.31 0.28 -0.23 0.00 0.00 178.00 178.75 3pck h VAL 157 N 0.00 0.72 -0.88 1.56 2.07 -1.94 -3.29 116.25 114.49 3pck h VAL 157 Ca -0.00 -1.63 0.14 0.00 0.82 0.00 0.00 66.70 66.03 3pck h VAL 157 Cb 0.21 1.45 -0.07 0.00 -1.52 0.00 0.00 31.29 31.36 3pck h VAL 157 CO 0.01 0.24 0.57 0.25 0.02 0.00 0.00 177.57 178.66 3pck h LEU 158 N -1.00 0.63 -0.39 2.57 5.85 -1.87 0.06 115.31 121.16 3pck h LEU 158 Ca -0.06 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.70 3pck h LEU 158 Cb 0.63 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.57 3pck h LEU 158 CO -0.04 0.32 0.00 0.59 -0.34 0.00 0.00 178.44 178.97 3pck n ASN 159 N -4.55 0.33 0.11 1.25 3.02 -0.18 -2.05 115.26 113.18 3pck n ASN 159 Ca 0.17 0.59 0.13 0.00 -0.03 0.00 0.00 54.58 55.43 3pck n ASN 159 Cb 0.47 -0.65 0.34 0.00 -0.61 0.00 0.00 39.78 39.32 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 -8.83 3.41 3.38 -1.04 -3.42 115.31 108.81 3pck h LEU 160 Ca 0.00 -0.03 -0.57 0.00 0.09 0.00 0.00 57.88 57.38 3pck h LEU 160 Cb 0.27 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.96 3pck h LEU 160 CO 0.00 0.01 0.93 -0.63 0.09 0.00 0.00 178.44 178.85 3pck s ILE 161 N -3.13 4.24 0.19 1.22 1.01 -0.87 -4.92 121.20 118.94 3pck s ILE 161 Ca 0.09 1.34 -0.20 0.00 0.00 0.00 0.00 60.65 61.88 3pck s ILE 161 Cb 0.12 -4.43 0.13 0.00 0.01 0.00 0.00 42.46 38.29 3pck s ILE 161 CO 0.63 -0.75 1.59 -0.33 0.00 0.00 0.00 174.94 176.07 3pck h GLU 162 N 9.12 -0.14 -4.98 2.79 5.08 -1.87 -3.40 114.58 121.17 3pck h GLU 162 Ca -0.23 0.01 -0.68 0.00 -1.00 0.00 0.00 59.36 57.46 3pck h GLU 162 Cb 1.07 0.03 -0.18 0.00 0.50 0.00 0.00 28.75 30.18 3pck h GLU 162 CO 1.08 -0.10 -0.19 -0.65 -1.00 0.00 0.00 179.01 178.16 3pck s GLN 163 N -6.01 3.31 0.34 2.33 -1.52 -1.26 -4.99 119.66 111.86 3pck s GLN 163 Ca -0.14 -0.55 0.14 0.00 -1.95 0.00 0.00 55.36 52.85 3pck s GLN 163 Cb 0.16 -3.90 1.10 0.00 -0.22 0.00 0.00 33.01 30.16 3pck s GLN 163 CO 0.70 -0.74 1.63 -1.35 -0.25 0.00 0.00 175.29 175.28 3pck h PRO 164 N 8.63 0.19 -0.11 2.91 0.11 -1.98 0.35 132.00 142.09 3pck h PRO 164 Ca -0.27 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.79 3pck h PRO 164 Cb 1.12 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 3pck h PRO 164 CO 0.77 0.13 -0.08 1.96 -0.21 0.00 0.00 178.00 180.57 3pck h GLN 165 N 0.20 0.17 -0.02 1.05 7.50 -1.96 -2.61 115.11 119.44 3pck h GLN 165 Ca 0.74 -0.03 -0.15 0.00 0.50 0.00 0.00 58.65 59.71 3pck h GLN 165 Cb 1.75 -0.03 -0.02 0.00 0.05 0.00 0.00 27.48 29.24 3pck h GLN 165 CO -0.68 0.26 -0.68 0.00 -1.50 0.00 0.00 178.83 176.23 3pck h ARG 166 N 0.16 0.09 -0.33 1.46 3.08 -0.70 -3.08 114.38 115.06 3pck h ARG 166 Ca 0.04 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 3pck h ARG 166 Cb 0.25 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 3pck h ARG 166 CO 0.01 0.73 0.15 0.00 -1.07 0.00 0.00 179.97 179.80 3pck h ARG 167 N 0.06 0.46 0.00 0.04 3.08 -1.40 -1.98 114.38 114.64 3pck h ARG 167 Ca -0.01 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 3pck h ARG 167 Cb 1.21 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 31.16 3pck h ARG 167 CO 0.10 0.37 -0.08 0.93 -1.07 0.00 0.00 179.97 180.21 3pck h GLU 168 N 0.46 0.00 0.00 0.04 5.08 -1.56 -1.83 114.58 116.77 3pck h GLU 168 Ca 0.12 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 3pck h GLU 168 Cb 0.07 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 3pck h GLU 168 CO -0.02 0.08 -0.11 1.79 -1.00 0.00 0.00 179.01 179.76 3pck h THR 169 N 0.00 0.52 -0.20 1.13 1.35 -1.49 -2.36 112.91 111.86 3pck h THR 169 Ca -0.00 -0.50 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 3pck h THR 169 Cb 0.21 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 67.96 3pck h THR 169 CO 0.01 0.10 0.00 0.18 -0.25 0.00 0.00 175.52 175.57 3pck n LEU 170 N -3.60 1.63 -4.55 3.87 4.77 -0.69 -4.85 117.00 113.58 3pck n LEU 170 Ca -0.02 -0.72 -0.39 0.00 -0.03 0.00 0.00 56.01 54.86 3pck n LEU 170 Cb 0.23 -0.13 -0.11 0.00 -2.33 0.00 0.00 43.42 41.08 3pck n LEU 170 CO 0.29 0.36 -0.16 -0.63 -1.33 0.00 0.00 177.39 175.92 3pck s ILE 171 N -1.74 5.22 0.20 -0.08 1.01 -0.89 -0.65 121.20 124.26 3pck s ILE 171 Ca 0.30 -0.01 -0.30 0.00 0.00 0.00 0.00 60.65 60.64 3pck s ILE 171 Cb 0.16 -3.56 -0.08 0.00 0.01 0.00 0.00 42.46 38.99 3pck s ILE 171 CO 0.24 0.15 0.96 0.00 0.00 0.00 0.00 174.94 176.29 3pck s ALA 172 N 1.73 3.32 -0.22 9.38 0.00 0.78 -4.86 121.76 131.89 3pck s ALA 172 Ca 0.07 0.63 -0.18 0.00 0.00 0.00 0.00 51.96 52.48 3pck s ALA 172 Cb -0.16 -3.24 -0.03 0.00 0.00 0.00 0.00 23.12 19.68 3pck s ALA 172 CO 0.10 0.11 0.48 0.15 0.00 0.00 0.00 175.76 176.61 3pck s LYS 173 N -0.82 4.15 0.23 0.00 1.02 -0.72 -1.45 119.74 122.16 3pck s LYS 173 Ca 0.43 0.33 -0.30 0.00 0.02 0.00 0.00 55.97 56.45 3pck s LYS 173 Cb -0.26 -3.58 -0.09 0.00 -0.52 0.00 0.00 37.83 33.38 3pck s LYS 173 CO 0.32 -0.18 1.24 0.50 -0.92 0.00 0.00 175.35 176.31 3pck s ARG 174 N 1.75 4.46 0.00 1.68 3.52 -1.26 -0.98 118.95 128.12 3pck s ARG 174 Ca 0.22 1.99 0.00 0.00 -0.13 0.00 0.00 55.73 57.81 3pck s ARG 174 Cb -0.15 -3.18 0.00 0.00 -1.56 0.00 0.00 34.95 30.05 3pck s ARG 174 CO 0.09 -0.11 0.00 0.00 -0.81 0.00 0.00 175.30 174.47 3pck s GLU 176 N -1.81 0.25 -0.16 0.00 2.12 -1.26 -1.45 118.70 116.40 3pck s GLU 176 Ca 0.00 -0.29 -0.03 0.00 0.36 0.00 0.00 54.97 55.02 3pck s GLU 176 Cb 0.00 -0.12 0.05 0.00 0.26 0.00 0.00 34.13 34.32 3pck s GLU 176 CO 0.00 0.02 0.04 0.08 -0.54 0.00 0.00 175.26 174.86 3pck s VAL 177 N -0.54 0.37 -1.44 3.70 1.01 0.57 -4.80 120.40 119.27 3pck s VAL 177 Ca -0.04 -0.30 -0.09 0.00 0.00 0.00 0.00 61.98 61.55 3pck s VAL 177 Cb -0.04 -0.81 0.05 0.00 0.00 0.00 0.00 36.38 35.58 3pck s VAL 177 CO -0.00 -0.10 0.94 0.47 0.00 0.00 0.00 175.10 176.41 3pck n ASP 178 N 5.12 -3.99 -0.62 3.32 8.00 -1.26 -0.64 116.55 126.48 3pck n ASP 178 Ca -0.08 -0.75 -0.08 0.00 0.71 0.00 0.00 54.79 54.59 3pck n ASP 178 Cb 0.48 -4.15 -0.03 0.00 -0.02 0.00 0.00 41.12 37.40 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 0.98 3.47 0.44 0.00 -1.26 -5.00 105.19 102.12 3pck n GLY 179 Ca -0.07 -0.41 -0.31 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.46 2.17 0.20 1.61 2.20 0.19 -5.09 119.74 118.56 3pck s LYS 180 Ca 0.00 -0.92 -0.31 0.00 -0.36 0.00 0.00 55.97 54.38 3pck s LYS 180 Cb 0.00 -2.23 -0.09 0.00 -1.51 0.00 0.00 37.83 33.99 3pck s LYS 180 CO 0.00 0.56 1.44 0.99 -0.36 0.00 0.00 175.35 177.97 3pck s THR 181 N -0.90 2.87 0.10 3.43 2.01 -1.26 -0.31 115.64 121.58 3pck s THR 181 Ca 0.14 0.68 -0.01 0.00 0.31 0.00 0.00 61.69 62.81 3pck s THR 181 Cb -0.11 -3.43 -0.04 0.00 0.01 0.00 0.00 72.50 68.93 3pck s THR 181 CO 0.05 0.08 0.02 0.00 -0.69 0.00 0.00 174.62 174.09 3pck s ALA 182 N 0.48 0.75 -0.04 7.40 0.00 -0.53 -2.10 121.76 127.72 3pck s ALA 182 Ca 0.62 -1.38 -0.03 0.00 0.00 0.00 0.00 51.96 51.17 3pck s ALA 182 Cb -0.40 0.65 0.01 0.00 0.00 0.00 0.00 23.12 23.38 3pck s ALA 182 CO 0.37 -0.44 0.09 0.71 0.00 0.00 0.00 175.76 176.49 3pck s TYR 183 N -4.00 -0.10 -0.19 0.00 1.51 -0.35 -0.70 117.35 113.52 3pck s TYR 183 Ca 0.18 0.26 -0.03 0.00 -1.01 0.00 0.00 57.07 56.46 3pck s TYR 183 Cb 0.08 0.00 -0.02 0.00 -0.11 0.00 0.00 41.96 41.91 3pck s TYR 183 CO -0.02 -0.06 -0.04 0.50 -1.11 0.00 0.00 175.55 174.81 3pck s ARG 184 N 0.25 3.51 -0.31 -0.62 3.52 -0.15 -1.98 118.95 123.18 3pck s ARG 184 Ca -0.02 -0.58 -0.01 0.00 -0.13 0.00 0.00 55.73 54.99 3pck s ARG 184 Cb -0.03 -2.94 0.10 0.00 -1.56 0.00 0.00 34.95 30.52 3pck s ARG 184 CO -0.01 0.03 0.10 0.12 -0.81 0.00 0.00 175.30 174.72 3pck s PHE 185 N 0.91 1.74 0.03 5.12 5.36 -0.03 -1.75 117.98 129.36 3pck s PHE 185 Ca -0.00 -1.76 -0.15 0.00 -0.96 0.00 0.00 56.93 54.06 3pck s PHE 185 Cb -0.15 -1.74 -0.06 0.00 -0.34 0.00 0.00 43.02 40.74 3pck s PHE 185 CO 0.01 -0.88 0.45 -0.51 -1.46 0.00 0.00 175.22 172.83 3pck s ASP 186 N 1.61 6.85 -0.12 6.13 1.01 -1.26 -4.03 116.67 126.85 3pck s ASP 186 Ca 0.10 1.02 -0.02 0.00 0.71 0.00 0.00 52.55 54.35 3pck s ASP 186 Cb -0.17 -2.27 -0.03 0.00 1.01 0.00 0.00 42.92 41.46 3pck s ASP 186 CO -0.25 0.29 -0.04 -0.63 0.21 0.00 0.00 175.17 174.75 3pck s ILE 187 N -1.14 3.92 -0.31 0.77 1.01 0.05 -4.96 121.20 120.53 3pck s ILE 187 Ca 0.27 -0.37 0.02 0.00 0.00 0.00 0.00 60.65 60.57 3pck s ILE 187 Cb -0.17 -2.68 0.08 0.00 0.01 0.00 0.00 42.46 39.70 3pck s ILE 187 CO 0.15 0.53 0.00 -0.13 0.00 0.00 0.00 174.94 175.50 3pck s ARG 188 N -0.10 1.89 0.24 2.79 0.52 -1.26 -0.78 118.95 122.25 3pck s ARG 188 Ca 0.02 -1.63 -0.03 0.00 -0.52 0.00 0.00 55.73 53.57 3pck s ARG 188 Cb -0.13 -3.13 0.27 0.00 0.52 0.00 0.00 34.95 32.49 3pck s ARG 188 CO 0.03 -0.79 1.71 0.82 0.02 0.00 0.00 175.30 177.09 3pck h ILE 189 N 6.63 1.25 -3.38 1.52 2.04 -1.02 -1.44 117.51 123.11 3pck h ILE 189 Ca -0.12 -1.11 -0.12 0.00 1.00 0.00 0.00 64.86 64.52 3pck h ILE 189 Cb 1.03 0.96 -0.19 0.00 -0.74 0.00 0.00 36.82 37.89 3pck h ILE 189 CO 0.52 0.38 -0.37 -1.58 0.00 0.00 0.00 178.15 177.10 3pck s GLN 190 N -4.88 0.65 3.06 2.37 0.74 -1.26 -4.78 119.66 115.55 3pck s GLN 190 Ca -0.10 -0.44 0.00 0.00 0.05 0.00 0.00 55.36 54.87 3pck s GLN 190 Cb 0.14 0.27 0.00 0.00 1.10 0.00 0.00 33.01 34.53 3pck s GLN 190 CO 0.82 -0.18 0.00 0.41 -0.55 0.00 0.00 175.29 175.79 3pck n GLY 191 N 1.02 -0.03 3.52 2.59 0.00 -1.26 -4.12 105.19 106.91 3pck n GLY 191 Ca -0.21 -1.12 -0.55 0.00 0.00 0.00 0.00 46.02 44.15 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 4.63 0.92 -2.78 1.61 -0.00 -1.26 -1.11 120.64 122.65 3pck n GLU 192 Ca 0.00 0.29 -0.14 0.00 -0.00 0.00 0.00 57.16 57.31 3pck n GLU 192 Cb 0.00 -2.15 0.03 0.00 -0.00 0.00 0.00 31.44 29.31 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 5.79 -0.04 3.71 -1.84 0.00 -1.26 -4.95 105.19 106.60 3pck n GLY 193 Ca 0.38 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3pck n GLY 193 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3pck s GLU 194 N -5.31 4.16 0.32 1.61 2.12 -0.27 -4.65 118.70 116.68 3pck s GLU 194 Ca 0.21 2.52 -0.29 0.00 0.36 0.00 0.00 54.97 57.77 3pck s GLU 194 Cb -0.09 -3.19 -0.10 0.00 0.26 0.00 0.00 34.13 31.01 3pck s GLU 194 CO 0.26 -0.72 1.38 0.99 -0.54 0.00 0.00 175.26 176.63 3pck s THR 195 N 1.44 2.53 0.28 -1.70 2.01 -0.54 -4.96 115.64 114.70 3pck s THR 195 Ca 0.74 0.51 -0.29 0.00 0.31 0.00 0.00 61.69 62.96 3pck s THR 195 Cb -0.47 -3.33 -0.10 0.00 0.01 0.00 0.00 72.50 68.61 3pck s THR 195 CO 0.32 0.11 1.33 -0.69 -0.69 0.00 0.00 174.62 175.00 3pck s VAL 196 N -0.88 2.83 0.02 3.82 1.01 -1.26 -4.95 120.40 120.98 3pck s VAL 196 Ca 0.52 0.77 0.05 0.00 0.00 0.00 0.00 61.98 63.32 3pck s VAL 196 Cb -0.42 -3.49 -0.02 0.00 0.00 0.00 0.00 36.38 32.45 3pck s VAL 196 CO 0.53 0.16 -0.14 -0.36 0.00 0.00 0.00 175.10 175.29 3pck s PHE 197 N -0.63 1.23 0.26 5.22 0.08 -1.26 -4.68 117.98 118.19 3pck s PHE 197 Ca 0.53 -0.30 0.09 0.00 0.12 0.00 0.00 56.93 57.37 3pck s PHE 197 Cb -0.39 -0.75 -0.04 0.00 -0.57 0.00 0.00 43.02 41.26 3pck s PHE 197 CO 0.47 0.01 0.01 -0.06 -0.10 0.00 0.00 175.22 175.55 3pck s PHE 198 N -0.62 2.73 -0.05 0.36 0.08 0.99 -5.00 117.98 116.46 3pck s PHE 198 Ca 0.03 -0.21 0.03 0.00 0.12 0.00 0.00 56.93 56.91 3pck s PHE 198 Cb -0.07 -1.21 0.00 0.00 -0.57 0.00 0.00 43.02 41.17 3pck s PHE 198 CO 0.01 0.61 -0.16 0.34 -0.10 0.00 0.00 175.22 175.92 3pck s ASP 199 N -3.64 2.05 0.00 1.36 2.15 -1.26 -4.30 116.67 113.03 3pck s ASP 199 Ca 0.31 -0.34 0.00 0.00 0.43 0.00 0.00 52.55 52.95 3pck s ASP 199 Cb -0.07 -0.73 0.00 0.00 -0.30 0.00 0.00 42.92 41.83 3pck s ASP 199 CO 0.20 0.11 0.00 2.22 -0.17 0.00 0.00 175.17 177.53