#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wib s SER -5 N 0.00 6.55 0.27 1.61 0.01 -1.26 -4.99 113.70 115.89 1wib s SER -5 Ca 0.00 0.65 0.01 0.00 1.31 0.00 0.00 55.95 57.91 1wib s SER -5 Cb 0.00 -2.12 0.58 0.00 0.21 0.00 0.00 66.02 64.68 1wib s SER -5 CO 0.00 0.24 1.77 0.77 0.41 0.00 0.00 173.24 176.43 1wib h SER -4 N 3.99 0.61 0.00 2.44 4.64 -2.13 -3.34 113.55 119.76 1wib h SER -4 Ca -0.50 0.09 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1wib h SER -4 Cb 1.20 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1wib h SER -4 CO 0.66 0.25 0.00 0.61 -0.87 0.00 0.00 176.83 177.48 1wib n GLY -3 N -1.33 1.23 4.28 -0.77 0.00 -1.26 -4.89 105.19 102.44 1wib n GLY -3 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 1wib n GLY -3 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wib n SER -2 N -0.64 -0.85 -4.09 1.61 2.88 -1.25 -4.90 113.62 106.37 1wib n SER -2 Ca 0.00 -1.17 -0.21 0.00 -1.33 0.00 0.00 58.87 56.16 1wib n SER -2 Cb 0.00 -1.48 -0.15 0.00 -0.75 0.00 0.00 64.21 61.83 1wib n SER -2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wib s SER -1 N -3.48 1.54 -0.05 -3.46 0.15 -1.26 -5.05 113.70 102.09 1wib s SER -1 Ca 0.52 -0.25 -0.17 0.00 0.70 0.00 0.00 55.95 56.75 1wib s SER -1 Cb -0.30 -0.17 0.03 0.00 -1.71 0.00 0.00 66.02 63.87 1wib s SER -1 CO 0.94 0.15 0.40 -0.83 1.20 0.00 0.00 173.24 175.10 1wib s GLY 1 N -0.37 -0.26 0.71 9.45 0.00 -1.26 -5.16 107.32 110.43 1wib s GLY 1 Ca 0.05 0.69 -0.13 0.00 0.00 0.00 0.00 44.72 45.33 1wib s GLY 1 CO -0.00 0.46 1.10 2.56 0.00 0.00 0.00 173.10 177.22 1wib s PRO 2 N -0.95 2.56 0.91 2.90 0.04 -1.26 -5.03 135.00 134.17 1wib s PRO 2 Ca -0.10 1.29 -0.12 0.00 0.04 0.00 0.00 61.00 62.12 1wib s PRO 2 Cb -0.04 -1.93 0.13 0.00 0.04 0.00 0.00 34.50 32.71 1wib s PRO 2 CO 0.04 -1.42 1.09 -1.25 0.04 0.00 0.00 177.00 175.50 1wib s PRO 3 N -4.45 1.17 0.03 0.56 0.04 -1.26 -5.08 135.00 126.01 1wib s PRO 3 Ca 0.64 0.78 0.02 0.00 0.04 0.00 0.00 61.00 62.49 1wib s PRO 3 Cb -0.19 -1.80 -0.02 0.00 0.04 0.00 0.00 34.50 32.53 1wib s PRO 3 CO 0.48 -2.29 -0.08 0.15 0.04 0.00 0.00 177.00 175.30 1wib s LYS 4 N -4.94 0.55 -0.25 4.56 1.02 -1.26 -5.14 119.74 114.28 1wib s LYS 4 Ca 0.64 -0.66 -0.08 0.00 0.02 0.00 0.00 55.97 55.89 1wib s LYS 4 Cb -0.18 -0.39 -0.03 0.00 -0.52 0.00 0.00 37.83 36.71 1wib s LYS 4 CO 0.57 0.08 0.09 0.12 -0.92 0.00 0.00 175.35 175.29 1wib s PHE 5 N -1.09 3.11 0.03 3.18 2.19 -1.26 -5.03 117.98 119.11 1wib s PHE 5 Ca -0.06 -0.32 0.07 0.00 0.33 0.00 0.00 56.93 56.94 1wib s PHE 5 Cb -0.08 -2.26 -0.02 0.00 -1.31 0.00 0.00 43.02 39.34 1wib s PHE 5 CO 0.00 -0.32 -0.19 -0.51 1.83 0.00 0.00 175.22 176.04 1wib s ASP 6 N 1.62 2.29 0.44 6.13 1.01 -1.26 -5.03 116.67 121.86 1wib s ASP 6 Ca 0.06 -0.47 0.23 0.00 0.71 0.00 0.00 52.55 53.08 1wib s ASP 6 Cb -0.15 -0.20 0.99 0.00 1.01 0.00 0.00 42.92 44.57 1wib s ASP 6 CO 0.05 0.15 1.87 1.55 0.21 0.00 0.00 175.17 179.00 1wib h PRO 7 N 5.04 0.00 0.05 8.23 0.13 -1.98 -3.31 132.00 140.17 1wib h PRO 7 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1wib h PRO 7 Cb 1.16 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 1wib h PRO 7 CO 0.45 0.24 -0.18 -0.91 -0.23 0.00 0.00 178.00 177.37 1wib h ASN 8 N 0.00 -0.52 -2.10 1.44 4.21 -2.03 -3.44 115.58 113.14 1wib h ASN 8 Ca -0.00 0.05 -0.53 0.00 1.21 0.00 0.00 56.30 57.03 1wib h ASN 8 Cb 0.67 0.19 -0.07 0.00 -1.12 0.00 0.00 38.32 37.99 1wib h ASN 8 CO 0.03 -0.19 -0.57 -1.83 -1.29 0.00 0.00 177.43 173.58 1wib s GLU 9 N -3.91 2.54 0.40 0.81 1.03 -1.25 -5.11 118.70 113.22 1wib s GLU 9 Ca -0.05 -1.32 -0.25 0.00 0.03 0.00 0.00 54.97 53.38 1wib s GLU 9 Cb 0.02 -2.31 -0.08 0.00 -0.80 0.00 0.00 34.13 30.95 1wib s GLU 9 CO 0.20 0.30 1.12 0.08 -1.33 0.00 0.00 175.26 175.63 1wib s VAL 10 N -2.29 3.36 -0.03 1.83 1.01 -1.26 -4.60 120.40 118.42 1wib s VAL 10 Ca 0.34 1.10 0.05 0.00 0.00 0.00 0.00 61.98 63.46 1wib s VAL 10 Cb -0.06 -3.59 -0.01 0.00 0.00 0.00 0.00 36.38 32.72 1wib s VAL 10 CO 0.23 0.06 -0.18 -0.75 0.00 0.00 0.00 175.10 174.46 1wib s LYS 11 N -2.38 1.64 0.01 2.72 2.36 -1.26 -5.03 119.74 117.79 1wib s LYS 11 Ca 0.58 -0.63 0.03 0.00 -2.55 0.00 0.00 55.97 53.40 1wib s LYS 11 Cb -0.27 -1.49 -0.03 0.00 -1.05 0.00 0.00 37.83 34.98 1wib s LYS 11 CO 0.34 0.32 -0.06 0.08 1.55 0.00 0.00 175.35 177.58 1wib s VAL 12 N -0.19 3.72 -0.09 4.02 1.01 -1.26 -3.73 120.40 123.88 1wib s VAL 12 Ca 0.01 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.23 1wib s VAL 12 Cb -0.09 -2.64 0.01 0.00 0.00 0.00 0.00 36.38 33.66 1wib s VAL 12 CO 0.01 0.36 -0.15 -0.69 0.00 0.00 0.00 175.10 174.63 1wib s VAL 13 N -1.03 1.44 -0.18 2.92 1.01 -0.55 -4.94 120.40 119.06 1wib s VAL 13 Ca 0.18 -0.64 -0.06 0.00 0.00 0.00 0.00 61.98 61.46 1wib s VAL 13 Cb -0.11 -1.30 -0.03 0.00 0.00 0.00 0.00 36.38 34.93 1wib s VAL 13 CO 0.09 0.43 0.03 -0.31 0.00 0.00 0.00 175.10 175.33 1wib s TYR 14 N 0.75 3.16 -0.10 5.22 1.51 -1.26 -1.01 117.35 125.61 1wib s TYR 14 Ca -0.12 -0.11 -0.08 0.00 -1.01 0.00 0.00 57.07 55.75 1wib s TYR 14 Cb -0.16 -2.06 0.03 0.00 -0.11 0.00 0.00 41.96 39.66 1wib s TYR 14 CO 0.02 0.03 0.25 -0.51 -1.11 0.00 0.00 175.55 174.24 1wib s LEU 15 N 0.52 0.87 -0.13 -1.29 1.43 -1.15 -5.03 118.68 113.88 1wib s LEU 15 Ca 0.01 0.52 -0.13 0.00 -1.03 0.00 0.00 54.13 53.50 1wib s LEU 15 Cb -0.13 0.84 -0.05 0.00 0.03 0.00 0.00 46.19 46.88 1wib s LEU 15 CO 0.02 -0.11 0.30 -0.13 0.23 0.00 0.00 176.35 176.65 1wib s ARG 16 N 0.43 4.13 0.11 1.70 3.00 -1.26 -3.66 118.95 123.40 1wib s ARG 16 Ca -0.02 0.12 -0.17 0.00 0.00 0.00 0.00 55.73 55.66 1wib s ARG 16 Cb -0.04 -3.38 0.04 0.00 0.00 0.00 0.00 34.95 31.57 1wib s ARG 16 CO -0.02 0.35 0.42 0.00 0.00 0.00 0.00 175.30 176.05 1wib s THR 18 N -3.55 3.93 0.21 0.00 2.01 -1.26 -4.12 115.64 112.85 1wib s THR 18 Ca 0.01 1.86 -0.31 0.00 0.31 0.00 0.00 61.69 63.56 1wib s THR 18 Cb 0.01 -4.15 -0.10 0.00 0.01 0.00 0.00 72.50 68.27 1wib s THR 18 CO -0.10 0.38 1.57 -0.83 -0.69 0.00 0.00 174.62 174.94 1wib s GLY 19 N -1.20 1.75 -0.67 4.40 0.00 -1.25 -2.83 107.32 107.51 1wib s GLY 19 Ca 0.44 1.42 -0.04 0.00 0.00 0.00 0.00 44.72 46.55 1wib s GLY 19 CO 0.33 2.58 0.58 0.61 0.00 0.00 0.00 173.10 177.19 1wib n GLY 20 N 3.24 0.16 2.32 0.20 0.00 -1.26 -2.68 105.19 107.18 1wib n GLY 20 Ca 0.12 -0.20 -0.26 0.00 0.00 0.00 0.00 46.02 45.67 1wib n GLY 20 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1wib n GLU 21 N -2.73 2.29 -2.85 1.61 2.13 -1.13 -4.96 120.64 115.00 1wib n GLU 21 Ca -0.03 -2.36 -0.38 0.00 0.66 0.00 0.00 57.16 55.05 1wib n GLU 21 Cb 0.54 -2.00 -0.06 0.00 0.27 0.00 0.00 31.44 30.19 1wib n GLU 21 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1wib s VAL 22 N -2.96 4.25 0.00 6.31 0.11 -1.26 -4.48 120.40 122.36 1wib s VAL 22 Ca 0.50 1.81 0.00 0.00 -2.93 0.00 0.00 61.98 61.35 1wib s VAL 22 Cb 0.36 -4.10 0.00 0.00 -1.53 0.00 0.00 36.38 31.11 1wib s VAL 22 CO -0.14 0.31 0.00 0.61 -3.33 0.00 0.00 175.10 172.55 1wib n GLY 23 N 1.01 2.95 3.57 6.54 0.00 -1.26 -5.05 105.19 112.94 1wib n GLY 23 Ca -0.01 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.17 1wib n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wib s ALA 24 N 0.00 2.93 -0.17 4.61 0.00 -1.26 -4.67 121.76 123.19 1wib s ALA 24 Ca 0.00 -2.50 0.18 0.00 0.00 0.00 0.00 51.96 49.63 1wib s ALA 24 Cb 0.00 -4.57 -0.25 0.00 0.00 0.00 0.00 23.12 18.30 1wib s ALA 24 CO 0.00 -3.50 0.16 2.41 0.00 0.00 0.00 175.76 174.83 1wib n THR 25 N 6.70 1.36 0.26 0.00 -1.04 -1.26 -4.18 114.28 116.12 1wib n THR 25 Ca 0.39 -0.84 0.10 0.00 -2.04 0.00 0.00 64.05 61.66 1wib n THR 25 Cb 0.49 -0.51 0.69 0.00 -1.82 0.00 0.00 70.33 69.18 1wib n THR 25 CO 0.00 0.00 0.00 -1.28 -0.64 0.00 0.00 175.07 173.15 1wib h SER 26 N 0.00 0.00 1.43 8.00 0.87 -2.01 0.07 113.55 121.91 1wib h SER 26 Ca -0.49 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 59.95 1wib h SER 26 Cb 2.16 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 64.11 1wib h SER 26 CO 0.03 0.03 -0.57 0.00 -0.53 0.00 0.00 176.83 175.79 1wib h ALA 27 N 1.97 0.65 -0.01 6.23 0.00 -1.96 -3.19 119.26 122.95 1wib h ALA 27 Ca -0.00 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1wib h ALA 27 Cb 0.05 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1wib h ALA 27 CO 0.00 0.68 -0.42 1.28 0.00 0.00 0.00 179.25 180.79 1wib n LEU 28 N -3.22 0.99 0.42 0.00 4.77 -0.35 -4.13 117.00 115.48 1wib n LEU 28 Ca 0.01 -0.27 -0.19 0.00 -0.03 0.00 0.00 56.01 55.54 1wib n LEU 28 Cb 0.75 -0.13 -0.09 0.00 -2.33 0.00 0.00 43.42 41.62 1wib n LEU 28 CO 0.41 0.20 0.62 0.00 -1.33 0.00 0.00 177.39 177.29 1wib h ALA 29 N 3.45 -1.03 0.00 -1.18 0.00 -1.04 -2.45 119.26 117.01 1wib h ALA 29 Ca 0.00 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 1wib h ALA 29 Cb 0.53 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1wib h ALA 29 CO 0.00 -1.08 -0.25 -1.00 0.00 0.00 0.00 179.25 176.92 1wib h PRO 30 N -1.03 0.00 -0.49 0.00 0.13 -1.76 0.43 132.00 129.28 1wib h PRO 30 Ca -0.11 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.95 1wib h PRO 30 Cb 0.79 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.90 1wib h PRO 30 CO 0.17 0.25 -0.01 0.87 -0.23 0.00 0.00 178.00 179.05 1wib h LYS 31 N 0.00 0.83 -0.01 0.86 1.79 -1.68 -3.10 116.57 115.26 1wib h LYS 31 Ca -0.00 -0.23 0.00 0.00 -2.18 0.00 0.00 60.65 58.24 1wib h LYS 31 Cb 0.68 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.24 1wib h LYS 31 CO 0.03 0.84 -0.46 -0.89 -1.08 0.00 0.00 179.45 177.89 1wib n ILE 32 N -4.20 0.00 -0.16 1.86 5.41 -0.94 -4.60 119.36 116.73 1wib n ILE 32 Ca 0.02 -0.27 -0.11 0.00 1.00 0.00 0.00 62.75 63.40 1wib n ILE 32 Cb 0.31 1.09 -0.08 0.00 -0.71 0.00 0.00 39.64 40.25 1wib n ILE 32 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 1wib h GLY 33 N 3.10 -1.20 2.00 7.39 0.00 -0.05 0.44 103.07 114.75 1wib h GLY 33 Ca 0.00 0.77 -0.03 0.00 0.00 0.00 0.00 47.33 48.08 1wib h GLY 33 CO 0.00 -0.23 -0.12 -0.56 0.00 0.00 0.00 176.54 175.64 1wib h PRO 34 N -0.25 0.00 0.56 4.80 0.13 -1.84 -3.27 132.00 132.14 1wib h PRO 34 Ca 0.07 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.18 1wib h PRO 34 Cb 0.44 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.58 1wib h PRO 34 CO -0.54 0.12 -0.27 -0.07 -0.23 0.00 0.00 178.00 177.01 1wib h LEU 35 N 0.00 -0.64 0.00 1.56 4.07 -1.26 -3.49 115.31 115.56 1wib h LEU 35 Ca -0.00 0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.98 1wib h LEU 35 Cb 0.58 0.17 0.00 0.00 1.08 0.00 0.00 40.66 42.48 1wib h LEU 35 CO 0.02 -0.31 0.00 0.61 -1.08 0.00 0.00 178.44 177.68 1wib n GLY 36 N -0.39 3.20 3.10 0.83 0.00 -0.09 -5.07 105.19 106.77 1wib n GLY 36 Ca -0.09 -0.54 -0.22 0.00 0.00 0.00 0.00 46.02 45.16 1wib n GLY 36 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wib n LEU 37 N 0.00 -1.24 -4.71 0.99 4.32 -1.26 -4.96 117.00 110.14 1wib n LEU 37 Ca 0.00 -0.46 -0.33 0.00 -0.02 0.00 0.00 56.01 55.19 1wib n LEU 37 Cb 0.00 -0.85 -0.09 0.00 -1.62 0.00 0.00 43.42 40.86 1wib n LEU 37 CO 0.00 -3.54 -0.30 -0.55 -1.22 0.00 0.00 177.39 171.79 1wib s SER 38 N -2.21 5.31 0.18 -1.43 0.15 -1.26 -4.76 113.70 109.68 1wib s SER 38 Ca 0.46 0.09 -0.06 0.00 0.70 0.00 0.00 55.95 57.13 1wib s SER 38 Cb -0.09 -1.46 0.09 0.00 -1.71 0.00 0.00 66.02 62.85 1wib s SER 38 CO 0.43 0.31 1.53 1.55 1.20 0.00 0.00 173.24 178.26 1wib h PRO 39 N 4.55 0.74 -0.11 5.44 0.13 -1.93 -2.48 132.00 138.33 1wib h PRO 39 Ca -0.50 -0.39 -0.00 0.00 -0.87 0.00 0.00 66.00 64.24 1wib h PRO 39 Cb 1.18 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1wib h PRO 39 CO 0.58 1.01 0.06 -0.22 -0.23 0.00 0.00 178.00 179.20 1wib h LYS 40 N 0.60 0.16 -0.34 0.86 1.63 -1.95 0.40 116.57 117.94 1wib h LYS 40 Ca 0.05 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.81 1wib h LYS 40 Cb 0.96 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 32.55 1wib h LYS 40 CO 0.09 0.18 0.16 0.87 -3.45 0.00 0.00 179.45 177.30 1wib h LYS 41 N 0.10 0.49 -0.60 1.90 1.79 -1.99 -0.26 116.57 117.98 1wib h LYS 41 Ca 0.04 -0.07 -0.09 0.00 -2.18 0.00 0.00 60.65 58.35 1wib h LYS 41 Cb 0.07 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 30.61 1wib h LYS 41 CO -0.01 0.45 0.03 0.28 -1.08 0.00 0.00 179.45 179.13 1wib h VAL 42 N 0.40 1.26 -0.43 0.50 2.07 -1.31 -1.86 116.25 116.88 1wib h VAL 42 Ca 0.11 -1.09 -0.09 0.00 0.82 0.00 0.00 66.70 66.45 1wib h VAL 42 Cb 0.13 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 1wib h VAL 42 CO -0.01 0.40 -0.07 1.23 0.02 0.00 0.00 177.57 179.14 1wib h GLY 43 N 1.01 0.88 1.59 2.17 0.00 0.03 -2.78 103.07 105.96 1wib h GLY 43 Ca 0.18 -0.70 -0.09 0.00 0.00 0.00 0.00 47.33 46.72 1wib h GLY 43 CO 0.02 0.64 -0.20 -1.80 0.00 0.00 0.00 176.54 175.20 1wib h ASP 44 N 0.64 0.48 -0.27 0.19 3.58 -0.95 -2.21 116.42 117.88 1wib h ASP 44 Ca 0.11 -0.15 -0.01 0.00 0.42 0.00 0.00 57.03 57.41 1wib h ASP 44 Cb 0.59 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.49 1wib h ASP 44 CO 0.04 0.70 0.14 0.44 -2.88 0.00 0.00 179.24 177.68 1wib h ASP 45 N 0.44 0.34 -0.54 2.28 3.32 -1.20 -1.49 116.42 119.57 1wib h ASP 45 Ca 0.07 -0.10 -0.07 0.00 0.02 0.00 0.00 57.03 56.95 1wib h ASP 45 Cb 0.60 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.05 1wib h ASP 45 CO 0.04 0.34 0.06 0.40 -1.72 0.00 0.00 179.24 178.36 1wib h ILE 46 N 0.32 1.26 -1.01 0.35 2.04 -1.37 -2.68 117.51 116.42 1wib h ILE 46 Ca 0.09 -1.01 0.02 0.00 1.00 0.00 0.00 64.86 64.96 1wib h ILE 46 Cb 0.08 0.86 -0.05 0.00 -0.74 0.00 0.00 36.82 36.96 1wib h ILE 46 CO -0.01 0.36 0.66 0.00 0.00 0.00 0.00 178.15 179.16 1wib h ALA 47 N 0.98 1.29 -0.62 1.87 0.00 -1.22 -1.50 119.26 120.06 1wib h ALA 47 Ca 0.16 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1wib h ALA 47 Cb 0.45 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1wib h ALA 47 CO 0.02 0.63 0.13 -0.22 0.00 0.00 0.00 179.25 179.81 1wib h LYS 48 N 1.34 0.97 -0.32 0.00 3.11 -1.08 -2.26 116.57 118.34 1wib h LYS 48 Ca 0.38 -0.23 -0.11 0.00 -2.81 0.00 0.00 60.65 57.88 1wib h LYS 48 Cb -0.11 -0.13 -0.01 0.00 -1.00 0.00 0.00 32.23 30.97 1wib h LYS 48 CO -0.09 0.88 -0.27 0.00 -2.81 0.00 0.00 179.45 177.16 1wib h ALA 49 N 1.21 0.94 -0.49 5.00 0.00 -1.06 -2.70 119.26 122.16 1wib h ALA 49 Ca 0.19 -0.38 -0.13 0.00 0.00 0.00 0.00 54.91 54.60 1wib h ALA 49 Cb 0.36 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 17.94 1wib h ALA 49 CO 0.00 0.61 0.16 0.25 0.00 0.00 0.00 179.25 180.27 1wib n THR 50 N -4.10 2.10 -0.13 0.00 -2.24 -0.63 -4.37 114.28 104.91 1wib n THR 50 Ca -0.00 -1.07 -0.12 0.00 -2.27 0.00 0.00 64.05 60.58 1wib n THR 50 Cb 0.44 -0.46 -0.02 0.00 -2.10 0.00 0.00 70.33 68.19 1wib n THR 50 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1wib h GLY 51 N 3.50 0.86 2.00 3.38 0.00 -1.07 0.61 103.07 112.35 1wib h GLY 51 Ca 0.15 -0.78 -0.06 0.00 0.00 0.00 0.00 47.33 46.65 1wib h GLY 51 CO 0.48 0.71 -0.26 -0.55 0.00 0.00 0.00 176.54 176.92 1wib h ASP 52 N 0.59 0.00 -1.09 0.19 3.32 -1.82 -3.21 116.42 114.41 1wib h ASP 52 Ca 0.08 0.00 -0.43 0.00 0.02 0.00 0.00 57.03 56.70 1wib h ASP 52 Cb 0.74 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 39.88 1wib h ASP 52 CO 0.06 0.26 -1.02 -2.67 -1.72 0.00 0.00 179.24 174.15 1wib n TRP 53 N -3.82 1.98 -1.78 4.55 2.14 -1.12 -5.03 117.44 114.37 1wib n TRP 53 Ca -0.01 -2.79 -0.20 0.00 2.07 0.00 0.00 57.50 56.57 1wib n TRP 53 Cb 0.35 -0.27 -0.08 0.00 -0.81 0.00 0.00 31.31 30.51 1wib n TRP 53 CO 0.00 0.00 0.00 -1.59 2.07 0.00 0.00 177.69 178.17 1wib s LYS 54 N -3.36 1.81 0.00 -2.67 -2.85 0.21 -2.40 119.74 110.48 1wib s LYS 54 Ca 0.35 -0.37 0.00 0.00 -1.00 0.00 0.00 55.97 54.95 1wib s LYS 54 Cb 0.42 -5.01 0.00 0.00 -2.06 0.00 0.00 37.83 31.18 1wib s LYS 54 CO -0.04 -4.56 0.00 0.41 0.10 0.00 0.00 175.35 171.25 1wib n GLY 55 N 6.34 2.14 3.77 0.59 0.00 -1.09 -4.76 105.19 112.17 1wib n GLY 55 Ca 0.43 -0.20 -0.40 0.00 0.00 0.00 0.00 46.02 45.85 1wib n GLY 55 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wib s LEU 56 N 0.00 4.33 -0.08 0.99 2.01 -1.01 -4.26 118.68 120.66 1wib s LEU 56 Ca 0.00 2.60 -0.29 0.00 0.01 0.00 0.00 54.13 56.44 1wib s LEU 56 Cb 0.00 -3.78 -0.02 0.00 0.01 0.00 0.00 46.19 42.40 1wib s LEU 56 CO 0.00 -0.63 0.99 0.00 1.01 0.00 0.00 176.35 177.72 1wib s ARG 57 N -1.99 4.45 0.05 1.70 3.03 -1.26 -3.89 118.95 121.03 1wib s ARG 57 Ca 0.52 1.38 -0.01 0.00 2.03 0.00 0.00 55.73 59.65 1wib s ARG 57 Cb -0.37 -3.52 -0.04 0.00 -1.03 0.00 0.00 34.95 29.99 1wib s ARG 57 CO 0.49 -0.25 -0.03 0.96 -1.13 0.00 0.00 175.30 175.33 1wib s ILE 58 N 1.78 0.24 -0.22 4.99 -0.00 -1.26 -5.06 121.20 121.67 1wib s ILE 58 Ca 0.49 -1.61 -0.18 0.00 -0.00 0.00 0.00 60.65 59.35 1wib s ILE 58 Cb -0.19 -1.24 -0.03 0.00 -0.00 0.00 0.00 42.46 41.00 1wib s ILE 58 CO 0.20 -0.87 0.50 -0.89 -0.00 0.00 0.00 174.94 173.88 1wib s THR 59 N -3.31 5.10 -0.00 8.37 2.01 -1.26 -4.13 115.64 122.42 1wib s THR 59 Ca 0.02 0.90 0.08 0.00 0.31 0.00 0.00 61.69 63.00 1wib s THR 59 Cb 0.04 -3.82 -0.02 0.00 0.01 0.00 0.00 72.50 68.70 1wib s THR 59 CO -0.07 0.15 -0.26 -0.69 -0.69 0.00 0.00 174.62 173.06 1wib s VAL 60 N 1.84 2.05 -0.17 3.82 1.01 -1.24 -2.26 120.40 125.46 1wib s VAL 60 Ca 0.22 -1.18 -0.04 0.00 0.00 0.00 0.00 61.98 60.99 1wib s VAL 60 Cb -0.15 -1.71 -0.02 0.00 0.00 0.00 0.00 36.38 34.49 1wib s VAL 60 CO 0.09 0.51 -0.04 -1.59 0.00 0.00 0.00 175.10 174.07 1wib s LYS 61 N -0.79 3.62 -0.21 2.72 -2.85 -1.11 -2.96 119.74 118.16 1wib s LYS 61 Ca 0.10 -0.54 -0.04 0.00 -1.00 0.00 0.00 55.97 54.49 1wib s LYS 61 Cb -0.10 -2.93 -0.02 0.00 -2.06 0.00 0.00 37.83 32.73 1wib s LYS 61 CO -0.00 0.17 -0.02 -0.51 0.10 0.00 0.00 175.35 175.09 1wib s LEU 62 N 0.55 3.07 -0.27 2.77 1.43 -0.18 -3.49 118.68 122.55 1wib s LEU 62 Ca -0.03 -0.30 -0.04 0.00 -1.03 0.00 0.00 54.13 52.73 1wib s LEU 62 Cb -0.14 -1.78 0.02 0.00 0.03 0.00 0.00 46.19 44.32 1wib s LEU 62 CO 0.03 0.02 0.00 -0.89 0.23 0.00 0.00 176.35 175.74 1wib s THR 63 N 1.27 3.31 -0.21 5.49 2.01 -1.17 -1.49 115.64 124.84 1wib s THR 63 Ca 0.03 -0.96 -0.04 0.00 0.31 0.00 0.00 61.69 61.04 1wib s THR 63 Cb -0.14 -2.73 -0.01 0.00 0.01 0.00 0.00 72.50 69.63 1wib s THR 63 CO -0.00 0.10 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.36 1wib s ILE 64 N 1.38 3.41 -0.09 1.82 1.09 -1.24 -2.68 121.20 124.89 1wib s ILE 64 Ca 0.00 -0.48 -0.05 0.00 -1.10 0.00 0.00 60.65 59.02 1wib s ILE 64 Cb -0.17 -2.54 0.04 0.00 -1.06 0.00 0.00 42.46 38.72 1wib s ILE 64 CO -0.01 0.43 0.21 -1.58 -0.10 0.00 0.00 174.94 173.89 1wib s GLN 65 N 1.32 0.18 -1.55 2.79 2.00 -1.24 -4.50 119.66 118.66 1wib s GLN 65 Ca 0.04 0.43 -0.13 0.00 -2.00 0.00 0.00 55.36 53.69 1wib s GLN 65 Cb -0.14 -0.08 0.09 0.00 0.80 0.00 0.00 33.01 33.67 1wib s GLN 65 CO -0.02 -0.13 0.91 0.09 -0.50 0.00 0.00 175.29 175.64 1wib n ASN 66 N 3.94 -4.16 -2.55 6.67 5.03 -1.26 -1.85 115.26 121.07 1wib n ASN 66 Ca -0.23 -0.83 -0.11 0.00 0.87 0.00 0.00 54.58 54.28 1wib n ASN 66 Cb 0.54 -3.66 0.05 0.00 -1.02 0.00 0.00 39.78 35.70 1wib n ASN 66 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1wib n ARG 67 N -4.60 -3.67 -4.35 3.52 1.74 -1.26 -5.05 116.66 102.99 1wib n ARG 67 Ca 0.02 0.54 -0.18 0.00 -0.77 0.00 0.00 57.85 57.45 1wib n ARG 67 Cb 0.53 -4.56 -0.10 0.00 -1.02 0.00 0.00 32.46 27.31 1wib n ARG 67 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1wib s GLN 68 N -4.67 1.36 -0.03 5.56 2.00 -0.77 -5.04 119.66 118.07 1wib s GLN 68 Ca 0.06 -1.66 0.01 0.00 -2.00 0.00 0.00 55.36 51.77 1wib s GLN 68 Cb -0.01 -0.88 0.01 0.00 0.80 0.00 0.00 33.01 32.93 1wib s GLN 68 CO 0.46 0.02 -0.05 0.00 -0.50 0.00 0.00 175.29 175.22 1wib s ALA 69 N -3.19 0.64 -0.03 1.58 0.00 -1.26 -3.65 121.76 115.85 1wib s ALA 69 Ca 0.26 -0.13 0.02 0.00 0.00 0.00 0.00 51.96 52.11 1wib s ALA 69 Cb 0.03 -0.32 0.01 0.00 0.00 0.00 0.00 23.12 22.84 1wib s ALA 69 CO 0.08 0.05 -0.06 -1.14 0.00 0.00 0.00 175.76 174.68 1wib s GLN 70 N 0.54 0.78 -0.05 0.00 0.74 -1.09 -4.98 119.66 115.61 1wib s GLN 70 Ca -0.07 -0.21 0.04 0.00 0.05 0.00 0.00 55.36 55.18 1wib s GLN 70 Cb -0.11 -0.76 -0.00 0.00 1.10 0.00 0.00 33.01 33.24 1wib s GLN 70 CO 0.00 0.05 -0.18 0.96 -0.55 0.00 0.00 175.29 175.57 1wib s ILE 71 N 0.36 1.49 -0.07 -2.34 -4.36 -1.26 -3.06 121.20 111.96 1wib s ILE 71 Ca -0.05 -0.75 -0.16 0.00 -0.26 0.00 0.00 60.65 59.43 1wib s ILE 71 Cb -0.09 -1.28 0.03 0.00 1.25 0.00 0.00 42.46 42.37 1wib s ILE 71 CO 0.00 0.43 0.38 -0.70 0.24 0.00 0.00 174.94 175.29 1wib s GLU 72 N 0.04 0.63 -0.24 0.37 2.12 -1.23 -5.03 118.70 115.37 1wib s GLU 72 Ca -0.04 0.14 -0.05 0.00 0.36 0.00 0.00 54.97 55.38 1wib s GLU 72 Cb -0.12 0.29 -0.01 0.00 0.26 0.00 0.00 34.13 34.55 1wib s GLU 72 CO 0.02 -0.15 0.00 0.08 -0.54 0.00 0.00 175.26 174.68 1wib s VAL 73 N -0.72 3.74 0.39 3.70 1.01 -1.26 -2.75 120.40 124.51 1wib s VAL 73 Ca -0.08 -0.39 -0.17 0.00 0.00 0.00 0.00 61.98 61.33 1wib s VAL 73 Cb -0.04 -2.74 -0.10 0.00 0.00 0.00 0.00 36.38 33.51 1wib s VAL 73 CO 0.03 0.37 0.85 0.68 0.00 0.00 0.00 175.10 177.04 1wib s VAL 74 N 1.53 4.55 0.14 2.92 -7.23 -0.96 -5.02 120.40 116.32 1wib s VAL 74 Ca 0.06 1.19 -0.31 0.00 -1.81 0.00 0.00 61.98 61.11 1wib s VAL 74 Cb -0.15 -3.62 -0.08 0.00 0.56 0.00 0.00 36.38 33.09 1wib s VAL 74 CO -0.00 -0.31 1.34 -2.16 -0.31 0.00 0.00 175.10 173.66 1wib s PRO 75 N -3.23 4.35 0.25 4.82 0.04 -1.26 -4.65 135.00 135.33 1wib s PRO 75 Ca 0.58 2.04 -0.31 0.00 0.04 0.00 0.00 61.00 63.35 1wib s PRO 75 Cb -0.10 -3.24 -0.11 0.00 0.04 0.00 0.00 34.50 31.09 1wib s PRO 75 CO 0.18 -0.36 1.62 -1.54 0.04 0.00 0.00 177.00 176.94 1wib s SER 76 N 0.83 6.41 -0.22 6.66 1.04 -1.26 -5.00 113.70 122.17 1wib s SER 76 Ca 0.61 2.88 -0.03 0.00 0.48 0.00 0.00 55.95 59.89 1wib s SER 76 Cb -0.36 -2.62 0.10 0.00 0.10 0.00 0.00 66.02 63.24 1wib s SER 76 CO 0.33 -0.91 0.23 0.00 0.98 0.00 0.00 173.24 173.87 1wib s ALA 77 N 0.42 -0.28 0.29 5.32 0.00 -1.26 -5.15 121.76 121.10 1wib s ALA 77 Ca 0.67 0.12 0.09 0.00 0.00 0.00 0.00 51.96 52.84 1wib s ALA 77 Cb -0.48 -1.41 -0.04 0.00 0.00 0.00 0.00 23.12 21.19 1wib s ALA 77 CO 0.42 -1.31 0.02 0.45 0.00 0.00 0.00 175.76 175.33 1wib s SER 78 N 2.33 4.49 0.27 0.00 0.15 -1.26 -5.02 113.70 114.66 1wib s SER 78 Ca 0.08 -0.73 -0.09 0.00 0.70 0.00 0.00 55.95 55.91 1wib s SER 78 Cb -0.15 -0.76 0.43 0.00 -1.71 0.00 0.00 66.02 63.82 1wib s SER 78 CO -0.17 -0.08 1.57 0.00 1.20 0.00 0.00 173.24 175.76 1wib h ALA 79 N 1.83 0.62 -6.77 5.45 0.00 -2.07 -3.44 119.26 114.88 1wib h ALA 79 Ca -0.44 0.37 -0.56 0.00 0.00 0.00 0.00 54.91 54.29 1wib h ALA 79 Cb 1.25 0.74 -0.20 0.00 0.00 0.00 0.00 17.79 19.58 1wib h ALA 79 CO 0.62 -0.39 -0.86 1.28 0.00 0.00 0.00 179.25 179.90 1wib n LEU 80 N -5.61 -1.66 -3.76 0.00 4.77 -1.26 -4.90 117.00 104.58 1wib n LEU 80 Ca 0.15 -1.05 -0.28 0.00 -0.03 0.00 0.00 56.01 54.80 1wib n LEU 80 Cb 0.48 -2.03 -0.12 0.00 -2.33 0.00 0.00 43.42 39.42 1wib n LEU 80 CO -0.10 0.31 -0.15 -0.44 -1.33 0.00 0.00 177.39 175.68 1wib s SER 81 N -3.55 3.84 -0.73 -1.43 0.01 -1.26 -4.98 113.70 105.60 1wib s SER 81 Ca 0.57 -3.37 0.03 0.00 1.31 0.00 0.00 55.95 54.49 1wib s SER 81 Cb -0.31 -1.27 0.32 0.00 0.21 0.00 0.00 66.02 64.96 1wib s SER 81 CO 0.94 -0.15 1.16 0.61 0.41 0.00 0.00 173.24 176.20 1wib n GLY 82 N 2.57 5.59 2.73 3.44 0.00 -1.26 -5.06 105.19 113.20 1wib n GLY 82 Ca 0.18 -2.73 -0.23 0.00 0.00 0.00 0.00 46.02 43.24 1wib n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wib n PRO 83 N 0.06 -2.69 -1.98 1.61 -0.04 -1.26 -4.83 135.00 125.86 1wib n PRO 83 Ca 0.34 -1.36 -0.25 0.00 -0.04 0.00 0.00 63.50 62.18 1wib n PRO 83 Cb 0.36 -1.28 -0.06 0.00 -0.04 0.00 0.00 33.50 32.47 1wib n PRO 83 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1wib s SER 84 N -3.80 4.82 0.53 3.54 0.01 -1.26 -4.91 113.70 112.64 1wib s SER 84 Ca 0.55 -1.19 0.08 0.00 1.31 0.00 0.00 55.95 56.69 1wib s SER 84 Cb -0.05 -2.58 0.05 0.00 0.21 0.00 0.00 66.02 63.64 1wib s SER 84 CO 0.43 -3.21 0.56 -0.55 0.41 0.00 0.00 173.24 170.87 1wib s SER 85 N 7.43 4.92 0.00 2.44 0.15 -1.26 -5.35 113.70 122.03 1wib s SER 85 Ca 0.72 -0.98 0.00 0.00 0.70 0.00 0.00 55.95 56.39 1wib s SER 85 Cb -0.04 0.18 0.00 0.00 -1.71 0.00 0.00 66.02 64.45 1wib s SER 85 CO 0.09 -1.12 0.13 0.61 1.20 0.00 0.00 173.24 174.16