#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wib n SER -5 N 0.00 -4.59 -4.48 1.61 2.88 -1.26 -4.89 113.62 102.89 1wib n SER -5 Ca 0.00 -0.71 -0.43 0.00 -1.33 0.00 0.00 58.87 56.39 1wib n SER -5 Cb 0.00 -4.27 -0.02 0.00 -0.75 0.00 0.00 64.21 59.16 1wib n SER -5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wib s SER -4 N -3.51 6.65 0.00 -3.46 1.04 -1.26 -4.86 113.70 108.29 1wib s SER -4 Ca 0.52 -2.01 0.00 0.00 0.48 0.00 0.00 55.95 54.94 1wib s SER -4 Cb -0.25 -2.44 0.00 0.00 0.10 0.00 0.00 66.02 63.43 1wib s SER -4 CO 0.80 -1.14 0.00 0.61 0.98 0.00 0.00 173.24 174.49 1wib n GLY -3 N 5.67 -0.57 0.13 7.32 0.00 -1.26 -5.00 105.19 111.48 1wib n GLY -3 Ca 0.28 -1.06 -0.22 0.00 0.00 0.00 0.00 46.02 45.02 1wib n GLY -3 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1wib h SER -2 N 0.00 0.31 -3.43 1.61 0.02 -2.05 -3.46 113.55 106.55 1wib h SER -2 Ca 0.00 -0.82 -0.52 0.00 -0.84 0.00 0.00 61.79 59.61 1wib h SER -2 Cb 0.00 -0.10 0.01 0.00 0.14 0.00 0.00 62.40 62.45 1wib h SER -2 CO 0.00 1.70 0.53 -0.55 -1.14 0.00 0.00 176.83 177.37 1wib s SER -1 N -7.01 7.14 0.25 3.07 0.15 -1.26 -5.04 113.70 111.00 1wib s SER -1 Ca -0.23 2.13 0.05 0.00 0.70 0.00 0.00 55.95 58.60 1wib s SER -1 Cb 0.06 -2.60 -0.05 0.00 -1.71 0.00 0.00 66.02 61.71 1wib s SER -1 CO 0.73 -0.35 -0.04 -0.83 1.20 0.00 0.00 173.24 173.95 1wib s GLY 1 N 0.30 1.65 0.52 9.45 0.00 -1.26 -4.86 107.32 113.12 1wib s GLY 1 Ca 0.53 -1.81 -0.20 0.00 0.00 0.00 0.00 44.72 43.24 1wib s GLY 1 CO 0.34 -1.74 1.14 2.56 0.00 0.00 0.00 173.10 175.39 1wib s PRO 2 N -3.78 3.45 -0.32 2.90 0.04 -1.26 -4.95 135.00 131.08 1wib s PRO 2 Ca 0.28 1.65 -0.29 0.00 0.04 0.00 0.00 61.00 62.68 1wib s PRO 2 Cb 0.04 -2.10 -0.01 0.00 0.04 0.00 0.00 34.50 32.47 1wib s PRO 2 CO 0.10 -0.78 1.68 -1.25 0.04 0.00 0.00 177.00 176.79 1wib s PRO 3 N -3.15 3.50 0.21 0.56 0.04 -1.26 -4.97 135.00 129.93 1wib s PRO 3 Ca 0.71 1.40 -0.30 0.00 0.04 0.00 0.00 61.00 62.84 1wib s PRO 3 Cb -0.25 -4.12 -0.09 0.00 0.04 0.00 0.00 34.50 30.08 1wib s PRO 3 CO 0.29 -1.65 1.27 0.21 0.04 0.00 0.00 177.00 177.15 1wib s LYS 4 N 5.26 4.42 -0.89 4.56 2.47 -1.26 -4.96 119.74 129.34 1wib s LYS 4 Ca 0.74 2.01 0.00 0.00 -1.56 0.00 0.00 55.97 57.16 1wib s LYS 4 Cb -0.21 -3.20 0.30 0.00 -1.46 0.00 0.00 37.83 33.26 1wib s LYS 4 CO 0.32 -0.18 1.33 0.34 0.16 0.00 0.00 175.35 177.32 1wib n PHE 5 N 2.40 2.97 -1.09 4.03 7.35 -1.26 -5.06 117.46 126.80 1wib n PHE 5 Ca 0.05 -3.14 -0.36 0.00 -0.76 0.00 0.00 57.45 53.23 1wib n PHE 5 Cb 0.43 -0.96 -0.01 0.00 0.35 0.00 0.00 39.48 39.29 1wib n PHE 5 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 1wib n ASP 6 N 0.61 -1.80 -0.08 -2.13 8.00 -1.26 -4.87 116.55 115.02 1wib n ASP 6 Ca 0.33 0.77 -0.13 0.00 0.71 0.00 0.00 54.79 56.47 1wib n ASP 6 Cb 0.34 -0.74 -0.05 0.00 -0.02 0.00 0.00 41.12 40.64 1wib n ASP 6 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1wib h PRO 7 N 0.49 0.56 0.00 -0.24 0.13 -2.04 -3.45 132.00 127.45 1wib h PRO 7 Ca -0.27 -0.30 0.00 0.00 -0.87 0.00 0.00 66.00 64.56 1wib h PRO 7 Cb 1.18 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1wib h PRO 7 CO 0.42 0.89 0.00 -1.71 -0.23 0.00 0.00 178.00 177.36 1wib n ASN 8 N -4.38 0.00 -3.07 1.44 4.05 -1.26 -5.16 115.26 106.87 1wib n ASN 8 Ca -0.05 0.00 -0.18 0.00 0.45 0.00 0.00 54.58 54.80 1wib n ASN 8 Cb 0.43 0.00 -0.07 0.00 1.23 0.00 0.00 39.78 41.37 1wib n ASN 8 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 177.26 172.37 1wib n GLU 9 N -2.41 0.39 -3.71 1.20 0.00 -1.26 -5.18 120.64 109.68 1wib n GLU 9 Ca 0.00 -3.00 -0.12 0.00 0.00 0.00 0.00 57.16 54.04 1wib n GLU 9 Cb 0.00 2.37 -0.10 0.00 0.00 0.00 0.00 31.44 33.71 1wib n GLU 9 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1wib s VAL 10 N -3.19 -0.01 -0.10 3.84 1.01 -1.26 -4.97 120.40 115.72 1wib s VAL 10 Ca 0.34 0.04 0.02 0.00 0.00 0.00 0.00 61.98 62.38 1wib s VAL 10 Cb 0.02 -0.63 0.01 0.00 0.00 0.00 0.00 36.38 35.78 1wib s VAL 10 CO 0.24 0.02 -0.16 -0.75 0.00 0.00 0.00 175.10 174.45 1wib s LYS 11 N 0.80 2.27 0.03 2.72 2.20 -1.26 -5.11 119.74 121.39 1wib s LYS 11 Ca -0.05 -0.59 0.07 0.00 -0.36 0.00 0.00 55.97 55.05 1wib s LYS 11 Cb -0.05 -1.88 -0.03 0.00 -1.51 0.00 0.00 37.83 34.35 1wib s LYS 11 CO -0.06 -0.02 -0.20 0.08 -0.36 0.00 0.00 175.35 174.79 1wib s VAL 12 N 0.84 2.59 -0.08 4.02 1.01 -1.26 -3.40 120.40 124.13 1wib s VAL 12 Ca -0.09 -1.19 0.04 0.00 0.00 0.00 0.00 61.98 60.74 1wib s VAL 12 Cb -0.15 -2.05 -0.00 0.00 0.00 0.00 0.00 36.38 34.17 1wib s VAL 12 CO 0.01 0.39 -0.22 -0.69 0.00 0.00 0.00 175.10 174.59 1wib s VAL 13 N -0.85 1.84 -0.12 2.92 1.01 -0.59 -4.94 120.40 119.67 1wib s VAL 13 Ca 0.13 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.23 1wib s VAL 13 Cb -0.10 -1.58 -0.00 0.00 0.00 0.00 0.00 36.38 34.69 1wib s VAL 13 CO 0.03 0.51 -0.21 -0.31 0.00 0.00 0.00 175.10 175.13 1wib s TYR 14 N 0.22 2.64 0.08 5.22 2.02 -1.26 -1.82 117.35 124.45 1wib s TYR 14 Ca -0.12 -1.02 -0.11 0.00 -0.37 0.00 0.00 57.07 55.44 1wib s TYR 14 Cb -0.16 -1.76 0.01 0.00 -0.40 0.00 0.00 41.96 39.65 1wib s TYR 14 CO 0.06 -0.42 0.24 -0.51 -1.57 0.00 0.00 175.55 173.35 1wib s LEU 15 N 0.45 1.16 0.02 -1.29 1.43 -1.26 -5.10 118.68 114.10 1wib s LEU 15 Ca -0.15 -0.48 -0.22 0.00 -1.03 0.00 0.00 54.13 52.26 1wib s LEU 15 Cb -0.17 1.20 -0.06 0.00 0.03 0.00 0.00 46.19 47.20 1wib s LEU 15 CO 0.06 -0.70 0.64 0.00 0.23 0.00 0.00 176.35 176.58 1wib s ARG 16 N -3.43 4.36 0.24 1.70 1.04 -1.26 -4.10 118.95 117.49 1wib s ARG 16 Ca 0.01 0.83 -0.21 0.00 -1.04 0.00 0.00 55.73 55.32 1wib s ARG 16 Cb 0.03 -3.33 0.04 0.00 -2.04 0.00 0.00 34.95 29.64 1wib s ARG 16 CO -0.09 0.38 0.68 0.00 -0.04 0.00 0.00 175.30 176.23 1wib s THR 18 N -3.87 4.82 0.33 0.00 2.01 -1.26 -3.71 115.64 113.95 1wib s THR 18 Ca 0.08 -0.08 -0.28 0.00 0.31 0.00 0.00 61.69 61.72 1wib s THR 18 Cb -0.04 -3.07 -0.09 0.00 0.01 0.00 0.00 72.50 69.30 1wib s THR 18 CO 0.01 0.59 1.12 -0.83 -0.69 0.00 0.00 174.62 174.82 1wib s GLY 19 N -1.02 2.97 -1.63 4.40 0.00 -0.97 -3.53 107.32 107.53 1wib s GLY 19 Ca 0.15 0.91 -0.10 0.00 0.00 0.00 0.00 44.72 45.68 1wib s GLY 19 CO 0.04 1.47 0.44 0.61 0.00 0.00 0.00 173.10 175.66 1wib n GLY 20 N 0.90 -0.29 3.49 0.20 0.00 -0.47 -1.12 105.19 107.89 1wib n GLY 20 Ca 0.01 0.14 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 1wib n GLY 20 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wib s GLU 21 N -7.04 3.71 -0.47 1.61 2.56 -1.23 -4.49 118.70 113.35 1wib s GLU 21 Ca 0.39 -0.46 -0.28 0.00 0.00 0.00 0.00 54.97 54.61 1wib s GLU 21 Cb -0.22 -3.24 0.00 0.00 2.00 0.00 0.00 34.13 32.68 1wib s GLU 21 CO 0.96 -0.04 1.57 0.08 -0.56 0.00 0.00 175.26 177.27 1wib s VAL 22 N 1.20 3.69 -0.33 3.70 1.01 -1.26 -4.93 120.40 123.48 1wib s VAL 22 Ca 0.04 0.63 0.03 0.00 0.00 0.00 0.00 61.98 62.68 1wib s VAL 22 Cb -0.14 -4.11 0.16 0.00 0.00 0.00 0.00 36.38 32.28 1wib s VAL 22 CO 0.03 -0.83 0.40 -0.83 0.00 0.00 0.00 175.10 173.87 1wib s GLY 23 N 5.20 -0.39 -0.12 4.51 0.00 -1.26 -5.02 107.32 110.24 1wib s GLY 23 Ca 0.64 -0.26 -0.03 0.00 0.00 0.00 0.00 44.72 45.06 1wib s GLY 23 CO 0.29 2.95 2.85 0.00 0.00 0.00 0.00 173.10 179.18 1wib n ALA 24 N 4.89 5.61 -1.75 3.20 0.00 -1.26 -4.93 120.51 126.27 1wib n ALA 24 Ca 0.05 -1.54 -0.40 0.00 0.00 0.00 0.00 53.44 51.55 1wib n ALA 24 Cb 0.48 -1.82 -0.05 0.00 0.00 0.00 0.00 19.45 18.06 1wib n ALA 24 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1wib s THR 25 N -0.24 3.77 -1.18 0.00 -4.23 -1.26 -4.97 115.64 107.52 1wib s THR 25 Ca 0.43 1.77 -0.16 0.00 -1.18 0.00 0.00 61.69 62.56 1wib s THR 25 Cb 0.24 -4.13 0.14 0.00 1.34 0.00 0.00 72.50 70.09 1wib s THR 25 CO -0.04 0.42 1.45 -0.44 -0.54 0.00 0.00 174.62 175.47 1wib s SER 26 N -1.03 6.94 0.00 3.99 0.01 -1.26 -4.49 113.70 117.85 1wib s SER 26 Ca 0.43 -2.68 0.00 0.00 1.31 0.00 0.00 55.95 55.01 1wib s SER 26 Cb -0.29 -2.45 0.00 0.00 0.21 0.00 0.00 66.02 63.50 1wib s SER 26 CO 0.37 -0.91 0.00 0.00 0.41 0.00 0.00 173.24 173.10 1wib n ALA 27 N 6.49 1.87 0.04 1.44 0.00 -1.26 -4.75 120.51 124.34 1wib n ALA 27 Ca 0.37 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.81 1wib n ALA 27 Cb 0.45 0.26 -0.08 0.00 0.00 0.00 0.00 19.45 20.08 1wib n ALA 27 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1wib h LEU 28 N 0.00 0.00 -0.35 0.00 3.38 -1.98 -3.34 115.31 113.02 1wib h LEU 28 Ca 0.00 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.03 1wib h LEU 28 Cb 0.83 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.49 1wib h LEU 28 CO 0.00 0.61 -0.46 0.00 0.09 0.00 0.00 178.44 178.68 1wib h ALA 29 N 1.39 -0.54 0.00 1.53 0.00 -1.88 0.33 119.26 120.09 1wib h ALA 29 Ca -0.15 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1wib h ALA 29 Cb 1.60 0.92 -0.00 0.00 0.00 0.00 0.00 17.79 20.31 1wib h ALA 29 CO 0.05 -0.92 -0.02 -1.00 0.00 0.00 0.00 179.25 177.36 1wib h PRO 30 N -0.38 0.00 0.06 0.00 0.13 -1.89 0.15 132.00 130.07 1wib h PRO 30 Ca 0.11 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 65.01 1wib h PRO 30 Cb 0.60 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.75 1wib h PRO 30 CO -0.54 0.02 -0.94 0.87 -0.23 0.00 0.00 178.00 177.18 1wib h LYS 31 N 0.00 0.52 0.00 0.86 1.79 -1.02 -3.30 116.57 115.43 1wib h LYS 31 Ca -0.00 -0.65 0.00 0.00 -2.18 0.00 0.00 60.65 57.82 1wib h LYS 31 Cb 0.50 0.20 0.00 0.00 -1.58 0.00 0.00 32.23 31.36 1wib h LYS 31 CO 0.00 1.26 -0.80 0.82 -1.08 0.00 0.00 179.45 179.66 1wib h ILE 32 N 0.08 0.00 -1.00 1.86 2.04 -0.35 -3.39 117.51 116.75 1wib h ILE 32 Ca -0.13 -0.61 0.09 0.00 1.00 0.00 0.00 64.86 65.21 1wib h ILE 32 Cb 1.64 1.11 -0.12 0.00 -0.74 0.00 0.00 36.82 38.71 1wib h ILE 32 CO 0.18 0.00 -0.58 1.23 0.00 0.00 0.00 178.15 178.98 1wib h GLY 33 N 4.39 -0.81 2.00 5.37 0.00 -0.78 0.26 103.07 113.51 1wib h GLY 33 Ca 0.00 0.79 -0.09 0.00 0.00 0.00 0.00 47.33 48.03 1wib h GLY 33 CO 0.00 0.04 -0.43 -0.56 0.00 0.00 0.00 176.54 175.59 1wib h PRO 34 N -0.00 0.00 0.79 4.80 0.13 -1.77 -3.28 132.00 132.67 1wib h PRO 34 Ca 0.17 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.26 1wib h PRO 34 Cb 0.42 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.56 1wib h PRO 34 CO -0.94 0.43 -0.38 -0.07 -0.23 0.00 0.00 178.00 176.81 1wib h LEU 35 N 0.00 -0.90 0.00 1.56 4.07 -0.77 -3.48 115.31 115.78 1wib h LEU 35 Ca -0.00 0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.99 1wib h LEU 35 Cb 0.82 0.23 0.00 0.00 1.08 0.00 0.00 40.66 42.80 1wib h LEU 35 CO 0.06 -0.63 0.00 0.61 -1.08 0.00 0.00 178.44 177.40 1wib n GLY 36 N -1.39 2.83 3.22 0.83 0.00 -0.15 -5.09 105.19 105.45 1wib n GLY 36 Ca -0.13 -0.41 -0.28 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.69 -4.79 0.99 4.32 -1.26 -4.95 117.00 109.62 1wib n LEU 37 Ca 0.00 -0.34 -0.34 0.00 -0.02 0.00 0.00 56.01 55.31 1wib n LEU 37 Cb 0.00 -0.95 -0.07 0.00 -1.62 0.00 0.00 43.42 40.78 1wib n LEU 37 CO 0.00 -3.43 -0.24 -0.44 -1.22 0.00 0.00 177.39 172.06 1wib s SER 38 N -2.16 5.77 0.34 -1.43 0.01 -1.26 -4.68 113.70 110.29 1wib s SER 38 Ca 0.55 0.20 0.13 0.00 1.31 0.00 0.00 55.95 58.14 1wib s SER 38 Cb -0.12 -1.70 0.62 0.00 0.21 0.00 0.00 66.02 65.03 1wib s SER 38 CO 0.56 0.30 1.75 1.55 0.41 0.00 0.00 173.24 177.81 1wib h PRO 39 N 4.32 0.00 0.06 12.44 0.13 -1.90 -2.76 132.00 144.29 1wib h PRO 39 Ca -0.50 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1wib h PRO 39 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1wib h PRO 39 CO 0.61 0.45 -0.03 -0.22 -0.23 0.00 0.00 178.00 178.58 1wib h LYS 40 N 0.00 -0.07 -0.28 0.86 1.63 -1.97 0.54 116.57 117.27 1wib h LYS 40 Ca -0.00 0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1wib h LYS 40 Cb 0.83 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.46 1wib h LYS 40 CO 0.06 0.25 0.17 -0.22 -3.45 0.00 0.00 179.45 176.26 1wib h LYS 41 N -0.41 0.39 -0.42 1.90 3.64 -1.99 0.22 116.57 119.91 1wib h LYS 41 Ca -0.01 -0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 59.20 1wib h LYS 41 Cb 0.36 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 1wib h LYS 41 CO 0.01 0.30 -0.26 0.28 -2.27 0.00 0.00 179.45 177.51 1wib h VAL 42 N 0.36 1.27 -0.52 2.00 2.07 -1.50 -2.73 116.25 117.21 1wib h VAL 42 Ca 0.10 -1.42 -0.09 0.00 0.82 0.00 0.00 66.70 66.11 1wib h VAL 42 Cb 0.01 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 1wib h VAL 42 CO -0.02 0.48 -0.05 1.23 0.02 0.00 0.00 177.57 179.23 1wib h GLY 43 N 0.75 1.02 1.01 2.17 0.00 0.30 -2.92 103.07 105.39 1wib h GLY 43 Ca 0.09 -0.79 -0.01 0.00 0.00 0.00 0.00 47.33 46.62 1wib h GLY 43 CO 0.07 0.72 0.42 -0.55 0.00 0.00 0.00 176.54 177.21 1wib h ASP 44 N 0.81 0.92 -0.96 0.19 3.32 -0.54 -2.30 116.42 117.86 1wib h ASP 44 Ca 0.14 -0.09 0.04 0.00 0.02 0.00 0.00 57.03 57.14 1wib h ASP 44 Cb 0.59 -0.23 -0.06 0.00 0.22 0.00 0.00 39.33 39.85 1wib h ASP 44 CO 0.04 0.74 0.63 -0.78 -1.72 0.00 0.00 179.24 178.15 1wib h ASP 45 N 1.03 1.05 -0.15 6.45 1.82 -1.38 -1.66 116.42 123.57 1wib h ASP 45 Ca 0.26 -0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 56.88 1wib h ASP 45 Cb 0.01 -0.24 -0.01 0.00 0.68 0.00 0.00 39.33 39.78 1wib h ASP 45 CO -0.04 0.72 0.04 0.40 -1.61 0.00 0.00 179.24 178.74 1wib h ILE 46 N 1.22 1.19 -0.34 2.25 2.04 -1.26 0.26 117.51 122.87 1wib h ILE 46 Ca 0.38 -0.59 0.04 0.00 1.00 0.00 0.00 64.86 65.70 1wib h ILE 46 Cb 0.00 1.30 -0.04 0.00 -0.74 0.00 0.00 36.82 37.34 1wib h ILE 46 CO -0.12 0.18 0.09 0.00 0.00 0.00 0.00 178.15 178.30 1wib h ALA 47 N 0.85 0.38 -0.41 1.87 0.00 -1.05 0.10 119.26 121.01 1wib h ALA 47 Ca 0.05 0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 1wib h ALA 47 Cb 0.24 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1wib h ALA 47 CO -0.00 -0.31 -0.27 0.87 0.00 0.00 0.00 179.25 179.54 1wib h LYS 48 N 0.23 0.91 -0.71 0.00 1.57 -1.24 -2.81 116.57 114.51 1wib h LYS 48 Ca 0.16 -0.43 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 1wib h LYS 48 Cb 0.15 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 1wib h LYS 48 CO -0.18 1.08 0.46 0.00 -0.57 0.00 0.00 179.45 180.24 1wib h ALA 49 N 0.80 0.91 -0.36 3.86 0.00 -0.04 -1.64 119.26 122.78 1wib h ALA 49 Ca 0.08 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 1wib h ALA 49 Cb 0.85 -0.29 -0.06 0.00 0.00 0.00 0.00 17.79 18.29 1wib h ALA 49 CO 0.07 0.35 0.12 0.25 0.00 0.00 0.00 179.25 180.05 1wib n THR 50 N -4.57 1.64 -0.18 0.00 -2.24 0.32 -4.35 114.28 104.90 1wib n THR 50 Ca 0.06 -0.78 0.00 0.00 -2.27 0.00 0.00 64.05 61.06 1wib n THR 50 Cb 0.03 -0.53 0.25 0.00 -2.10 0.00 0.00 70.33 67.99 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 3.76 0.98 2.00 3.38 0.00 -1.02 -0.91 103.07 111.25 1wib h GLY 51 Ca 0.12 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 1wib h GLY 51 CO 0.36 0.39 -0.04 -0.55 0.00 0.00 0.00 176.54 176.70 1wib h ASP 52 N 0.93 0.00 -0.87 0.19 3.32 -1.82 -2.94 116.42 115.23 1wib h ASP 52 Ca 0.24 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.70 1wib h ASP 52 Cb -0.03 0.00 -0.32 0.00 0.22 0.00 0.00 39.33 39.20 1wib h ASP 52 CO -0.05 0.04 0.25 0.79 -1.72 0.00 0.00 179.24 178.56 1wib n TRP 53 N -3.15 2.90 -1.87 4.55 8.01 -0.47 -4.95 117.44 122.46 1wib n TRP 53 Ca 0.01 -2.60 -0.22 0.00 -1.31 0.00 0.00 57.50 53.38 1wib n TRP 53 Cb 0.33 -1.00 -0.07 0.00 -2.01 0.00 0.00 31.31 28.56 1wib n TRP 53 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.69 175.09 1wib s LYS 54 N -3.68 2.09 0.00 -0.99 -2.85 -1.11 -2.20 119.74 111.00 1wib s LYS 54 Ca 0.58 -0.34 0.00 0.00 -1.00 0.00 0.00 55.97 55.22 1wib s LYS 54 Cb 0.47 -5.03 0.00 0.00 -2.06 0.00 0.00 37.83 31.21 1wib s LYS 54 CO 0.01 -4.13 0.00 0.41 0.10 0.00 0.00 175.35 171.75 1wib n GLY 55 N 6.48 1.76 3.78 0.59 0.00 -0.28 -4.94 105.19 112.60 1wib n GLY 55 Ca 0.43 -0.41 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 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 3.65 -0.28 0.99 1.43 -0.93 -4.76 118.68 118.78 1wib s LEU 56 Ca 0.00 2.03 -0.18 0.00 -1.03 0.00 0.00 54.13 54.95 1wib s LEU 56 Cb 0.00 -4.56 -0.02 0.00 0.03 0.00 0.00 46.19 41.63 1wib s LEU 56 CO 0.00 -1.20 0.50 -0.60 0.23 0.00 0.00 176.35 175.28 1wib s ARG 57 N -3.57 3.98 0.06 1.70 6.06 -1.26 -2.29 118.95 123.63 1wib s ARG 57 Ca 0.69 0.20 -0.03 0.00 -2.50 0.00 0.00 55.73 54.09 1wib s ARG 57 Cb -0.20 -3.68 -0.03 0.00 0.06 0.00 0.00 34.95 31.09 1wib s ARG 57 CO 0.30 -0.40 0.02 0.96 -2.50 0.00 0.00 175.30 173.68 1wib s ILE 58 N 2.31 0.20 -0.12 4.11 -5.25 -1.24 -5.01 121.20 116.19 1wib s ILE 58 Ca 0.20 -1.66 -0.04 0.00 -0.99 0.00 0.00 60.65 58.16 1wib s ILE 58 Cb -0.16 -1.47 -0.04 0.00 2.95 0.00 0.00 42.46 43.75 1wib s ILE 58 CO 0.10 -0.91 0.03 -0.89 -1.79 0.00 0.00 174.94 171.48 1wib s THR 59 N -3.88 4.58 -0.06 8.37 2.01 -1.26 -4.04 115.64 121.36 1wib s THR 59 Ca 0.06 -0.13 0.05 0.00 0.31 0.00 0.00 61.69 61.98 1wib s THR 59 Cb 0.07 -2.98 -0.01 0.00 0.01 0.00 0.00 72.50 69.58 1wib s THR 59 CO -0.10 0.56 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.47 1wib s VAL 60 N -0.46 2.27 -0.18 3.82 1.01 -1.26 -2.56 120.40 123.05 1wib s VAL 60 Ca 0.09 -0.99 -0.08 0.00 0.00 0.00 0.00 61.98 61.01 1wib s VAL 60 Cb -0.12 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.38 1wib s VAL 60 CO 0.02 0.57 0.07 -1.59 0.00 0.00 0.00 175.10 174.17 1wib s LYS 61 N -0.21 3.95 -0.29 2.72 -2.85 -1.16 -4.05 119.74 117.85 1wib s LYS 61 Ca -0.02 -0.32 -0.06 0.00 -1.00 0.00 0.00 55.97 54.58 1wib s LYS 61 Cb -0.13 -3.22 0.02 0.00 -2.06 0.00 0.00 37.83 32.43 1wib s LYS 61 CO 0.03 0.32 0.05 -0.51 0.10 0.00 0.00 175.35 175.34 1wib s LEU 62 N 0.25 3.79 -0.24 2.77 1.43 -0.75 -3.87 118.68 122.06 1wib s LEU 62 Ca 0.05 -0.82 -0.02 0.00 -1.03 0.00 0.00 54.13 52.31 1wib s LEU 62 Cb -0.12 -1.83 0.02 0.00 0.03 0.00 0.00 46.19 44.29 1wib s LEU 62 CO 0.00 -0.20 -0.07 -0.89 0.23 0.00 0.00 176.35 175.42 1wib s THR 63 N 1.44 2.90 -0.27 5.49 2.01 -1.22 -1.54 115.64 124.45 1wib s THR 63 Ca 0.01 -0.90 -0.11 0.00 0.31 0.00 0.00 61.69 61.01 1wib s THR 63 Cb -0.17 -2.41 -0.05 0.00 0.01 0.00 0.00 72.50 69.87 1wib s THR 63 CO 0.01 0.28 0.17 -0.63 -0.69 0.00 0.00 174.62 173.77 1wib s ILE 64 N 1.36 5.22 -0.13 1.82 -1.09 -1.22 -3.27 121.20 123.89 1wib s ILE 64 Ca 0.02 0.14 -0.05 0.00 -2.23 0.00 0.00 60.65 58.53 1wib s ILE 64 Cb -0.16 -3.47 0.06 0.00 -1.58 0.00 0.00 42.46 37.32 1wib s ILE 64 CO -0.05 0.28 0.26 -1.58 -1.23 0.00 0.00 174.94 172.62 1wib s GLN 65 N 1.61 0.15 -1.16 2.79 0.74 -1.03 -4.49 119.66 118.27 1wib s GLN 65 Ca 0.07 0.75 -0.03 0.00 0.05 0.00 0.00 55.36 56.19 1wib s GLN 65 Cb -0.15 -0.03 0.00 0.00 1.10 0.00 0.00 33.01 33.93 1wib s GLN 65 CO 0.09 -0.28 0.99 -1.71 -0.55 0.00 0.00 175.29 173.83 1wib n ASN 66 N 5.32 -3.72 -3.73 6.67 5.15 -1.26 -2.38 115.26 121.31 1wib n ASN 66 Ca -0.07 -0.54 -0.27 0.00 -0.60 0.00 0.00 54.58 53.11 1wib n ASN 66 Cb 0.50 -4.71 0.06 0.00 -0.53 0.00 0.00 39.78 35.10 1wib n ASN 66 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1wib n ARG 67 N -4.19 -7.00 -4.60 1.20 1.74 -1.26 -4.99 116.66 97.56 1wib n ARG 67 Ca -0.15 0.74 -0.23 0.00 -0.77 0.00 0.00 57.85 57.44 1wib n ARG 67 Cb 0.61 -5.73 -0.14 0.00 -1.02 0.00 0.00 32.46 26.18 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 -6.44 1.19 -0.12 5.56 2.00 -1.00 -5.00 119.66 115.84 1wib s GLN 68 Ca 0.62 -0.70 0.01 0.00 -2.00 0.00 0.00 55.36 53.29 1wib s GLN 68 Cb -0.29 -1.20 -0.01 0.00 0.80 0.00 0.00 33.01 32.31 1wib s GLN 68 CO 0.77 0.31 -0.15 0.00 -0.50 0.00 0.00 175.29 175.72 1wib s ALA 69 N -0.60 2.54 -0.03 1.58 0.00 -1.26 -2.46 121.76 121.53 1wib s ALA 69 Ca 0.05 -0.91 0.04 0.00 0.00 0.00 0.00 51.96 51.14 1wib s ALA 69 Cb -0.07 -1.12 -0.01 0.00 0.00 0.00 0.00 23.12 21.92 1wib s ALA 69 CO 0.00 0.28 -0.16 -0.65 0.00 0.00 0.00 175.76 175.24 1wib s GLN 70 N 0.27 1.52 -0.06 0.00 -1.52 -1.20 -5.03 119.66 113.63 1wib s GLN 70 Ca -0.11 -0.56 0.03 0.00 -1.95 0.00 0.00 55.36 52.78 1wib s GLN 70 Cb -0.16 -1.37 0.00 0.00 -0.22 0.00 0.00 33.01 31.27 1wib s GLN 70 CO 0.06 0.26 -0.16 0.96 -0.25 0.00 0.00 175.29 176.15 1wib s ILE 71 N -0.07 1.42 -0.09 1.08 -4.36 -1.26 -3.42 121.20 114.50 1wib s ILE 71 Ca -0.01 -0.67 -0.18 0.00 -0.26 0.00 0.00 60.65 59.54 1wib s ILE 71 Cb -0.09 -1.25 0.04 0.00 1.25 0.00 0.00 42.46 42.40 1wib s ILE 71 CO 0.01 0.42 0.43 -0.70 0.24 0.00 0.00 174.94 175.33 1wib s GLU 72 N 0.38 0.66 0.11 0.37 2.12 -1.25 -5.03 118.70 116.06 1wib s GLU 72 Ca -0.12 0.24 -0.27 0.00 0.36 0.00 0.00 54.97 55.19 1wib s GLU 72 Cb -0.15 0.31 -0.07 0.00 0.26 0.00 0.00 34.13 34.48 1wib s GLU 72 CO 0.04 -0.15 0.83 0.08 -0.54 0.00 0.00 175.26 175.52 1wib s VAL 73 N -0.61 4.52 0.01 3.70 1.01 -1.26 -2.96 120.40 124.81 1wib s VAL 73 Ca -0.07 1.79 -0.07 0.00 0.00 0.00 0.00 61.98 63.63 1wib s VAL 73 Cb -0.03 -4.19 -0.05 0.00 0.00 0.00 0.00 36.38 32.11 1wib s VAL 73 CO 0.03 0.41 0.28 0.68 0.00 0.00 0.00 175.10 176.51 1wib s VAL 74 N -0.45 5.27 -1.04 2.92 -7.23 -1.06 -4.98 120.40 113.83 1wib s VAL 74 Ca 0.40 0.23 0.14 0.00 -1.81 0.00 0.00 61.98 60.94 1wib s VAL 74 Cb -0.22 -3.58 0.13 0.00 0.56 0.00 0.00 36.38 33.27 1wib s VAL 74 CO 0.26 0.37 1.45 -0.81 -0.31 0.00 0.00 175.10 176.07 1wib n PRO 75 N 1.15 0.02 -1.12 4.82 -0.04 -1.26 -4.69 135.00 133.87 1wib n PRO 75 Ca -0.11 0.25 -0.47 0.00 -0.04 0.00 0.00 63.50 63.12 1wib n PRO 75 Cb 0.53 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.41 1wib n PRO 75 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wib n SER 76 N -1.48 0.74 -3.15 3.54 7.64 -1.26 -4.87 113.62 114.77 1wib n SER 76 Ca 0.04 0.71 0.05 0.00 1.01 0.00 0.00 58.87 60.68 1wib n SER 76 Cb 0.16 -0.65 -0.01 0.00 -1.01 0.00 0.00 64.21 62.70 1wib n SER 76 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wib s ALA 77 N 3.12 -3.58 0.21 -0.43 0.00 -1.26 -4.92 121.76 114.90 1wib s ALA 77 Ca 0.81 1.40 0.02 0.00 0.00 0.00 0.00 51.96 54.19 1wib s ALA 77 Cb -1.09 -2.56 -0.01 0.00 0.00 0.00 0.00 23.12 19.46 1wib s ALA 77 CO 0.55 -1.55 0.08 -1.13 0.00 0.00 0.00 175.76 173.71 1wib n SER 78 N 5.43 0.98 -2.09 0.00 3.41 -1.26 -5.03 113.62 115.07 1wib n SER 78 Ca -0.05 -2.13 -0.15 0.00 -0.26 0.00 0.00 58.87 56.28 1wib n SER 78 Cb 0.54 0.56 -0.14 0.00 -0.26 0.00 0.00 64.21 64.92 1wib n SER 78 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wib n ALA 79 N -1.98 6.31 -1.54 7.33 0.00 -1.26 -4.92 120.51 124.46 1wib n ALA 79 Ca -0.08 -2.03 -0.41 0.00 0.00 0.00 0.00 53.44 50.92 1wib n ALA 79 Cb 0.32 -2.24 -0.05 0.00 0.00 0.00 0.00 19.45 17.49 1wib n ALA 79 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1wib n LEU 80 N 2.11 2.42 -4.12 0.00 4.77 -1.26 -4.91 117.00 116.01 1wib n LEU 80 Ca 0.43 -0.06 -0.08 0.00 -0.03 0.00 0.00 56.01 56.26 1wib n LEU 80 Cb 0.83 -1.46 -0.10 0.00 -2.33 0.00 0.00 43.42 40.35 1wib n LEU 80 CO 0.16 -1.08 -0.33 -0.94 -1.33 0.00 0.00 177.39 173.88 1wib s SER 81 N 9.87 0.42 -0.84 -1.43 1.04 -1.26 -5.10 113.70 116.39 1wib s SER 81 Ca 1.04 -1.10 0.01 0.00 0.48 0.00 0.00 55.95 56.38 1wib s SER 81 Cb -0.44 0.24 0.23 0.00 0.10 0.00 0.00 66.02 66.16 1wib s SER 81 CO 0.35 -0.66 0.83 0.61 0.98 0.00 0.00 173.24 175.35 1wib n GLY 82 N 0.01 4.41 0.27 7.32 0.00 -1.26 -4.86 105.19 111.07 1wib n GLY 82 Ca -0.10 -2.65 0.16 0.00 0.00 0.00 0.00 46.02 43.43 1wib n GLY 82 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wib h PRO 83 N 5.42 0.00 -6.30 1.61 0.13 -1.99 -3.44 132.00 127.43 1wib h PRO 83 Ca 0.17 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.70 1wib h PRO 83 Cb 0.74 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.77 1wib h PRO 83 CO 0.90 0.06 -0.64 0.45 -0.23 0.00 0.00 178.00 178.54 1wib s SER 84 N -5.82 4.99 0.30 1.44 0.15 -1.26 -5.13 113.70 108.38 1wib s SER 84 Ca 0.01 -0.30 -0.00 0.00 0.70 0.00 0.00 55.95 56.35 1wib s SER 84 Cb 0.10 -1.15 -0.02 0.00 -1.71 0.00 0.00 66.02 63.24 1wib s SER 84 CO 0.56 0.10 0.36 -0.94 1.20 0.00 0.00 173.24 174.52 1wib s SER 85 N -2.89 0.89 0.00 5.45 1.04 -1.26 -5.22 113.70 111.71 1wib s SER 85 Ca 0.28 -1.49 0.00 0.00 0.48 0.00 0.00 55.95 55.22 1wib s SER 85 Cb -0.10 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.60 1wib s SER 85 CO 0.20 -1.13 0.00 0.61 0.98 0.00 0.00 173.24 173.90