#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wh2 s SER 2 N 0.00 5.25 0.00 1.61 0.15 -1.26 -4.73 113.70 114.72 1wh2 s SER 2 Ca 0.00 1.55 0.00 0.00 0.70 0.00 0.00 55.95 58.20 1wh2 s SER 2 Cb 0.00 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.80 1wh2 s SER 2 CO 0.00 -2.18 0.00 -1.54 1.20 0.00 0.00 173.24 170.72 1wh2 n SER 3 N 12.62 3.85 -0.15 5.45 3.41 -1.26 -5.05 113.62 132.48 1wh2 n SER 3 Ca 0.30 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.89 1wh2 n SER 3 Cb 0.48 0.54 -0.01 0.00 -0.26 0.00 0.00 64.21 64.96 1wh2 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wh2 n GLY 4 N 2.22 0.18 2.99 5.00 0.00 -1.26 -4.87 105.19 109.45 1wh2 n GLY 4 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1wh2 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wh2 n SER 5 N -0.99 4.73 -3.64 1.61 2.88 -1.26 -4.92 113.62 112.02 1wh2 n SER 5 Ca -0.02 -3.24 -0.20 0.00 -1.33 0.00 0.00 58.87 54.08 1wh2 n SER 5 Cb 0.51 -1.06 -0.16 0.00 -0.75 0.00 0.00 64.21 62.75 1wh2 n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wh2 s SER 6 N -0.78 1.27 0.00 -3.46 0.15 -1.26 -5.13 113.70 104.49 1wh2 s SER 6 Ca 0.31 -0.00 0.00 0.00 0.70 0.00 0.00 55.95 56.96 1wh2 s SER 6 Cb -0.01 0.05 0.00 0.00 -1.71 0.00 0.00 66.02 64.35 1wh2 s SER 6 CO -0.05 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 174.72 1wh2 n GLY 7 N 5.31 1.98 3.57 9.45 0.00 -1.26 -5.07 105.19 119.18 1wh2 n GLY 7 Ca -0.05 -0.61 -0.16 0.00 0.00 0.00 0.00 46.02 45.20 1wh2 n GLY 7 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1wh2 s VAL 8 N -2.20 3.07 0.16 1.61 -7.23 -1.26 -4.94 120.40 109.61 1wh2 s VAL 8 Ca 0.00 -0.11 -0.32 0.00 -1.81 0.00 0.00 61.98 59.74 1wh2 s VAL 8 Cb 0.00 -3.82 -0.12 0.00 0.56 0.00 0.00 36.38 33.00 1wh2 s VAL 8 CO 0.00 -0.14 1.75 0.54 -0.31 0.00 0.00 175.10 176.94 1wh2 n ARG 9 N 8.34 2.66 -1.40 4.82 1.74 -1.26 -5.02 116.66 126.55 1wh2 n ARG 9 Ca 0.43 0.96 -0.35 0.00 -0.77 0.00 0.00 57.85 58.12 1wh2 n ARG 9 Cb 0.46 -2.82 0.09 0.00 -1.02 0.00 0.00 32.46 29.18 1wh2 n ARG 9 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 1wh2 n VAL 10 N 4.21 3.29 -3.68 1.55 3.14 -1.26 -5.05 118.33 120.53 1wh2 n VAL 10 Ca 0.17 -0.36 -0.15 0.00 -2.96 0.00 0.00 64.34 61.04 1wh2 n VAL 10 Cb 0.35 -1.27 -0.14 0.00 -1.06 0.00 0.00 33.84 31.72 1wh2 n VAL 10 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1wh2 s LEU 11 N -4.35 -0.01 -0.11 6.55 1.43 -1.26 -5.14 118.68 115.79 1wh2 s LEU 11 Ca 0.77 0.44 0.00 0.00 -1.03 0.00 0.00 54.13 54.30 1wh2 s LEU 11 Cb -0.34 0.47 0.02 0.00 0.03 0.00 0.00 46.19 46.37 1wh2 s LEU 11 CO 0.47 -0.22 -0.10 -0.55 0.23 0.00 0.00 176.35 176.18 1wh2 s SER 12 N 2.10 2.21 -0.47 2.29 0.15 -1.26 -5.08 113.70 113.63 1wh2 s SER 12 Ca -0.00 -0.34 -0.27 0.00 0.70 0.00 0.00 55.95 56.04 1wh2 s SER 12 Cb -0.12 -0.91 -0.05 0.00 -1.71 0.00 0.00 66.02 63.24 1wh2 s SER 12 CO -0.07 -0.08 2.18 -0.31 1.20 0.00 0.00 173.24 176.16 1wh2 s TYR 13 N 1.47 1.31 -0.14 3.44 1.51 -1.26 -4.91 117.35 118.77 1wh2 s TYR 13 Ca 0.01 1.14 -0.29 0.00 -1.01 0.00 0.00 57.07 56.92 1wh2 s TYR 13 Cb -0.13 -3.81 -0.02 0.00 -0.11 0.00 0.00 41.96 37.88 1wh2 s TYR 13 CO -0.06 -2.72 1.27 -0.51 -1.11 0.00 0.00 175.55 172.42 1wh2 s ASP 14 N 10.01 6.95 0.01 2.29 1.01 -1.26 -4.91 116.67 130.76 1wh2 s ASP 14 Ca 0.88 1.74 0.16 0.00 0.71 0.00 0.00 52.55 56.03 1wh2 s ASP 14 Cb -0.18 -2.54 -0.18 0.00 1.01 0.00 0.00 42.92 41.03 1wh2 s ASP 14 CO 0.26 -0.74 0.71 0.29 0.21 0.00 0.00 175.17 175.91 1wh2 n LYS 15 N 6.39 0.63 -0.80 8.23 4.76 -1.26 -2.70 118.16 133.41 1wh2 n LYS 15 Ca 0.14 0.22 0.05 0.00 -2.87 0.00 0.00 58.31 55.85 1wh2 n LYS 15 Cb 0.45 -1.78 0.08 0.00 -1.84 0.00 0.00 35.03 31.94 1wh2 n LYS 15 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1wh2 n GLU 16 N -2.92 0.61 -4.13 1.97 1.02 -1.26 -1.76 120.64 114.17 1wh2 n GLU 16 Ca -0.13 -2.19 -0.15 0.00 -0.02 0.00 0.00 57.16 54.66 1wh2 n GLU 16 Cb 0.93 -0.77 -0.12 0.00 -0.02 0.00 0.00 31.44 31.45 1wh2 n GLU 16 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1wh2 s LYS 17 N -1.29 0.63 -0.85 3.49 2.20 -1.26 -5.02 119.74 117.64 1wh2 s LYS 17 Ca 0.27 -0.74 -0.25 0.00 -0.36 0.00 0.00 55.97 54.89 1wh2 s LYS 17 Cb 0.28 -0.51 0.03 0.00 -1.51 0.00 0.00 37.83 36.12 1wh2 s LYS 17 CO -0.07 0.11 1.46 -0.51 -0.36 0.00 0.00 175.35 175.98 1wh2 s LEU 18 N -1.39 3.31 -0.00 5.43 1.43 -1.26 -3.70 118.68 122.49 1wh2 s LEU 18 Ca -0.05 -0.79 0.00 0.00 -1.03 0.00 0.00 54.13 52.26 1wh2 s LEU 18 Cb -0.09 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.57 1wh2 s LEU 18 CO 0.01 -1.84 0.56 -3.20 0.23 0.00 0.00 176.35 172.10 1wh2 n ASN 19 N 9.92 0.21 -4.13 2.29 5.15 -0.97 -4.64 115.26 123.08 1wh2 n ASN 19 Ca 0.20 -1.12 -0.12 0.00 -0.60 0.00 0.00 54.58 52.94 1wh2 n ASN 19 Cb 0.50 -0.00 -0.11 0.00 -0.53 0.00 0.00 39.78 39.64 1wh2 n ASN 19 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 1wh2 s TRP 20 N -0.11 0.85 0.18 1.20 0.52 -1.06 -1.10 118.94 119.42 1wh2 s TRP 20 Ca 0.00 -0.71 0.04 0.00 0.02 0.00 0.00 56.10 55.46 1wh2 s TRP 20 Cb 0.00 -0.49 -0.05 0.00 -1.15 0.00 0.00 33.47 31.78 1wh2 s TRP 20 CO 0.00 -0.09 -0.06 -0.51 0.02 0.00 0.00 176.95 176.31 1wh2 s LEU 21 N -2.37 2.38 0.13 2.99 1.43 0.76 -0.41 118.68 123.59 1wh2 s LEU 21 Ca 0.02 -1.10 -0.11 0.00 -1.03 0.00 0.00 54.13 51.91 1wh2 s LEU 21 Cb -0.02 -0.32 0.01 0.00 0.03 0.00 0.00 46.19 45.89 1wh2 s LEU 21 CO -0.02 -0.41 0.29 -0.72 0.23 0.00 0.00 176.35 175.73 1wh2 s TYR 22 N -3.36 0.12 -0.23 0.29 -0.85 -1.23 -1.81 117.35 110.28 1wh2 s TYR 22 Ca 0.22 -0.50 -0.12 0.00 -0.52 0.00 0.00 57.07 56.15 1wh2 s TYR 22 Cb 0.04 0.05 -0.05 0.00 0.38 0.00 0.00 41.96 42.38 1wh2 s TYR 22 CO 0.04 -0.66 0.21 0.21 -1.52 0.00 0.00 175.55 173.83 1wh2 s LYS 23 N -3.88 4.10 0.86 -3.49 2.20 -1.26 -1.38 119.74 116.88 1wh2 s LYS 23 Ca 0.08 -0.17 -0.12 0.00 -0.36 0.00 0.00 55.97 55.41 1wh2 s LYS 23 Cb 0.03 -3.53 0.11 0.00 -1.51 0.00 0.00 37.83 32.93 1wh2 s LYS 23 CO -0.07 0.06 1.13 0.16 -0.36 0.00 0.00 175.35 176.27 1wh2 s ASP 24 N 1.00 4.02 0.05 1.43 1.47 -0.14 -4.96 116.67 119.53 1wh2 s ASP 24 Ca 0.10 1.03 0.27 0.00 1.18 0.00 0.00 52.55 55.13 1wh2 s ASP 24 Cb -0.14 -1.64 1.08 0.00 -0.34 0.00 0.00 42.92 41.88 1wh2 s ASP 24 CO 0.05 -2.24 1.84 -0.81 0.68 0.00 0.00 175.17 174.69 1wh2 n PRO 25 N -3.57 0.06 -0.00 2.11 -0.04 -1.26 -3.00 135.00 129.29 1wh2 n PRO 25 Ca 0.07 0.08 -0.08 0.00 -0.04 0.00 0.00 63.50 63.53 1wh2 n PRO 25 Cb 0.59 -1.57 0.09 0.00 -0.04 0.00 0.00 33.50 32.56 1wh2 n PRO 25 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1wh2 h GLN 26 N 0.00 0.56 0.00 0.54 7.50 -2.05 -3.47 115.11 118.19 1wh2 h GLN 26 Ca 0.00 -0.31 0.00 0.00 0.50 0.00 0.00 58.65 58.84 1wh2 h GLN 26 Cb 0.51 0.02 0.00 0.00 0.05 0.00 0.00 27.48 28.06 1wh2 h GLN 26 CO 0.00 0.90 0.00 0.41 -1.50 0.00 0.00 178.83 178.64 1wh2 n GLY 27 N 0.08 0.13 3.59 3.46 0.00 -1.16 -5.14 105.19 106.15 1wh2 n GLY 27 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 1wh2 n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wh2 s LEU 28 N 0.00 3.49 -0.43 0.99 2.01 -1.26 -4.91 118.68 118.57 1wh2 s LEU 28 Ca 0.00 0.02 -0.29 0.00 0.01 0.00 0.00 54.13 53.87 1wh2 s LEU 28 Cb 0.00 -1.84 0.01 0.00 0.01 0.00 0.00 46.19 44.37 1wh2 s LEU 28 CO 0.00 0.24 1.46 -0.69 1.01 0.00 0.00 176.35 178.38 1wh2 s VAL 29 N -0.08 3.83 0.59 -1.59 1.01 -1.26 -0.97 120.40 121.93 1wh2 s VAL 29 Ca 0.04 0.82 -0.05 0.00 0.00 0.00 0.00 61.98 62.78 1wh2 s VAL 29 Cb -0.13 -4.17 0.01 0.00 0.00 0.00 0.00 36.38 32.09 1wh2 s VAL 29 CO 0.02 -0.78 0.89 -1.10 0.00 0.00 0.00 175.10 174.13 1wh2 s GLN 30 N 5.14 2.88 0.00 2.72 -1.52 -0.48 -4.98 119.66 123.43 1wh2 s GLN 30 Ca 0.62 -0.07 0.00 0.00 -1.95 0.00 0.00 55.36 53.97 1wh2 s GLN 30 Cb -0.14 -2.29 0.00 0.00 -0.22 0.00 0.00 33.01 30.36 1wh2 s GLN 30 CO 0.32 -0.70 0.00 0.41 -0.25 0.00 0.00 175.29 175.06 1wh2 n GLY 31 N -2.57 0.14 3.57 3.09 0.00 -1.26 -3.47 105.19 104.69 1wh2 n GLY 31 Ca 0.05 -1.81 -0.29 0.00 0.00 0.00 0.00 46.02 43.97 1wh2 n GLY 31 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wh2 s PRO 32 N 0.00 -0.66 0.07 1.61 0.04 -1.26 -5.09 135.00 129.70 1wh2 s PRO 32 Ca 0.00 0.45 0.01 0.00 0.04 0.00 0.00 61.00 61.50 1wh2 s PRO 32 Cb 0.00 -1.62 -0.04 0.00 0.04 0.00 0.00 34.50 32.89 1wh2 s PRO 32 CO 0.00 -3.45 -0.05 -0.06 0.04 0.00 0.00 177.00 173.47 1wh2 s PHE 33 N -2.76 0.69 0.29 0.56 0.08 0.46 -4.80 117.98 112.50 1wh2 s PHE 33 Ca 0.68 -0.85 -0.16 0.00 0.12 0.00 0.00 56.93 56.72 1wh2 s PHE 33 Cb -0.19 -0.43 -0.09 0.00 -0.57 0.00 0.00 43.02 41.75 1wh2 s PHE 33 CO 0.60 -0.20 0.72 -1.54 -0.10 0.00 0.00 175.22 174.69 1wh2 s SER 34 N -2.59 6.82 0.45 1.36 1.04 -1.24 -2.30 113.70 117.24 1wh2 s SER 34 Ca 0.04 1.29 0.20 0.00 0.48 0.00 0.00 55.95 57.96 1wh2 s SER 34 Cb 0.02 -2.37 1.09 0.00 0.10 0.00 0.00 66.02 64.85 1wh2 s SER 34 CO -0.05 -0.15 1.95 -0.07 0.98 0.00 0.00 173.24 175.91 1wh2 h LEU 35 N 2.53 0.00 -0.62 2.42 3.38 -1.38 -0.38 115.31 121.25 1wh2 h LEU 35 Ca -0.48 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.43 1wh2 h LEU 35 Cb 1.18 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 1wh2 h LEU 35 CO 0.65 0.22 0.14 0.74 0.09 0.00 0.00 178.44 180.29 1wh2 h THR 36 N 0.00 1.25 0.23 0.22 2.02 -1.63 0.40 112.91 115.40 1wh2 h THR 36 Ca -0.00 -0.94 -0.01 0.00 0.77 0.00 0.00 66.41 66.23 1wh2 h THR 36 Cb 0.49 0.68 0.00 0.00 -1.74 0.00 0.00 68.15 67.58 1wh2 h THR 36 CO 0.03 0.35 -0.11 1.56 0.37 0.00 0.00 175.52 177.72 1wh2 h GLN 37 N 0.91 -0.29 -0.62 6.66 4.20 -1.45 -1.15 115.11 123.36 1wh2 h GLN 37 Ca 0.19 0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.97 1wh2 h GLN 37 Cb 0.37 0.07 -0.05 0.00 0.30 0.00 0.00 27.48 28.17 1wh2 h GLN 37 CO 0.00 0.01 0.34 -0.07 -0.67 0.00 0.00 178.83 178.44 1wh2 h LEU 38 N -0.61 0.50 0.25 1.46 3.38 -1.06 0.12 115.31 119.35 1wh2 h LEU 38 Ca -0.03 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1wh2 h LEU 38 Cb 0.44 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1wh2 h LEU 38 CO 0.05 0.33 -0.12 0.50 0.09 0.00 0.00 178.44 179.29 1wh2 h LYS 39 N 0.64 -0.33 0.00 1.13 3.64 -0.93 -0.55 116.57 120.16 1wh2 h LYS 39 Ca 0.27 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.66 1wh2 h LYS 39 Cb 0.16 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1wh2 h LYS 39 CO -0.17 -0.17 -0.07 0.00 -2.27 0.00 0.00 179.45 176.77 1wh2 h ALA 40 N 0.32 1.16 0.00 5.00 0.00 -0.62 0.62 119.26 125.74 1wh2 h ALA 40 Ca -0.03 -0.07 -0.21 0.00 0.00 0.00 0.00 54.91 54.60 1wh2 h ALA 40 Cb 0.31 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1wh2 h ALA 40 CO 0.06 0.09 -1.16 -1.49 0.00 0.00 0.00 179.25 176.75 1wh2 h TRP 41 N 0.00 0.00 -0.44 0.00 6.55 -0.76 -1.98 115.95 119.31 1wh2 h TRP 41 Ca -0.00 0.00 -0.02 0.00 0.95 0.00 0.00 58.89 59.82 1wh2 h TRP 41 Cb 0.31 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 28.59 1wh2 h TRP 41 CO 0.00 0.89 0.19 1.03 -1.05 0.00 0.00 178.44 179.50 1wh2 h SER 42 N 0.00 0.60 0.39 -3.49 0.87 0.03 -0.31 113.55 111.63 1wh2 h SER 42 Ca -0.10 -0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.31 1wh2 h SER 42 Cb 1.76 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 63.57 1wh2 h SER 42 CO 0.10 0.59 0.00 0.44 -0.53 0.00 0.00 176.83 177.42 1wh2 h ASP 43 N 0.57 0.00 -0.34 6.23 3.32 -0.93 -1.23 116.42 124.05 1wh2 h ASP 43 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1wh2 h ASP 43 Cb 0.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1wh2 h ASP 43 CO -0.01 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.51 1wh2 n ALA 44 N -2.05 2.30 -1.31 3.45 0.00 -0.75 -5.00 120.51 117.14 1wh2 n ALA 44 Ca -0.01 -1.03 -0.11 0.00 0.00 0.00 0.00 53.44 52.28 1wh2 n ALA 44 Cb 0.16 -0.55 -0.05 0.00 0.00 0.00 0.00 19.45 19.01 1wh2 n ALA 44 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1wh2 n GLU 45 N 0.83 -1.64 0.00 0.00 1.02 -0.28 -4.85 120.64 115.72 1wh2 n GLU 45 Ca 0.13 0.87 0.00 0.00 -0.02 0.00 0.00 57.16 58.14 1wh2 n GLU 45 Cb 0.45 -5.26 0.00 0.00 -0.02 0.00 0.00 31.44 26.61 1wh2 n GLU 45 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1wh2 n TYR 46 N -2.24 0.00 -4.08 -0.32 4.01 -0.33 -4.66 117.16 109.53 1wh2 n TYR 46 Ca -0.11 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.56 1wh2 n TYR 46 Cb 0.58 -0.01 -0.10 0.00 -0.31 0.00 0.00 39.34 39.50 1wh2 n TYR 46 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 1wh2 s PHE 47 N -1.85 0.51 0.76 -0.72 0.08 -1.25 -4.92 117.98 110.58 1wh2 s PHE 47 Ca 0.00 -0.98 -0.11 0.00 0.12 0.00 0.00 56.93 55.96 1wh2 s PHE 47 Cb 0.00 -0.37 0.05 0.00 -0.57 0.00 0.00 43.02 42.13 1wh2 s PHE 47 CO 0.00 -0.34 1.13 0.95 -0.10 0.00 0.00 175.22 176.86 1wh2 s THR 48 N -3.55 2.58 0.26 0.64 -4.23 -1.26 -4.95 115.64 105.14 1wh2 s THR 48 Ca 0.04 0.14 0.07 0.00 -1.18 0.00 0.00 61.69 60.75 1wh2 s THR 48 Cb 0.05 -3.18 -0.03 0.00 1.34 0.00 0.00 72.50 70.69 1wh2 s THR 48 CO -0.08 -0.23 1.60 0.11 -0.54 0.00 0.00 174.62 175.48 1wh2 h LYS 49 N -0.85 0.15 -0.91 3.99 1.79 -2.00 -3.22 116.57 115.53 1wh2 h LYS 49 Ca -0.45 -0.10 -0.62 0.00 -2.18 0.00 0.00 60.65 57.29 1wh2 h LYS 49 Cb 1.30 0.01 -0.33 0.00 -1.58 0.00 0.00 32.23 31.63 1wh2 h LYS 49 CO 0.65 0.69 0.31 0.00 -1.08 0.00 0.00 179.45 180.02 1wh2 n GLN 50 N -3.87 2.96 -2.67 3.15 10.64 -1.26 -4.97 117.38 121.36 1wh2 n GLN 50 Ca -0.02 -3.57 -0.39 0.00 -1.83 0.00 0.00 57.00 51.20 1wh2 n GLN 50 Cb 0.60 -2.27 -0.06 0.00 -0.86 0.00 0.00 30.24 27.65 1wh2 n GLN 50 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.06 175.35 1wh2 s PHE 51 N -3.73 3.73 0.22 2.61 5.36 -1.22 -4.98 117.98 119.97 1wh2 s PHE 51 Ca 0.60 1.80 0.10 0.00 -0.96 0.00 0.00 56.93 58.47 1wh2 s PHE 51 Cb 0.48 -3.05 -0.05 0.00 -0.34 0.00 0.00 43.02 40.06 1wh2 s PHE 51 CO 0.01 0.04 -0.19 1.03 -1.46 0.00 0.00 175.22 174.64 1wh2 s ARG 52 N -1.66 1.48 0.06 10.12 3.00 -1.26 -1.40 118.95 129.30 1wh2 s ARG 52 Ca 0.47 -1.60 -0.04 0.00 0.00 0.00 0.00 55.73 54.55 1wh2 s ARG 52 Cb -0.25 -1.56 -0.03 0.00 0.00 0.00 0.00 34.95 33.12 1wh2 s ARG 52 CO 0.31 0.30 0.05 0.14 0.00 0.00 0.00 175.30 176.10 1wh2 s VAL 53 N -2.33 0.19 0.06 3.52 -7.23 -0.48 -4.70 120.40 109.42 1wh2 s VAL 53 Ca 0.23 -1.57 -0.02 0.00 -1.81 0.00 0.00 61.98 58.81 1wh2 s VAL 53 Cb -0.05 -1.45 -0.04 0.00 0.56 0.00 0.00 36.38 35.40 1wh2 s VAL 53 CO 0.10 -0.87 -0.01 -1.66 -0.31 0.00 0.00 175.10 172.35 1wh2 s TRP 54 N -3.90 0.51 0.71 2.82 -2.14 -0.75 -0.80 118.94 115.39 1wh2 s TRP 54 Ca 0.06 -1.04 -0.12 0.00 2.66 0.00 0.00 56.10 57.66 1wh2 s TRP 54 Cb 0.07 -0.37 0.03 0.00 -3.10 0.00 0.00 33.47 30.09 1wh2 s TRP 54 CO -0.10 -0.40 1.09 -1.64 -2.66 0.00 0.00 176.95 173.24 1wh2 s MET 55 N -3.92 2.60 0.34 3.25 -1.94 -1.26 -0.17 119.30 118.19 1wh2 s MET 55 Ca 0.08 1.20 -0.29 0.00 -1.71 0.00 0.00 55.69 54.96 1wh2 s MET 55 Cb 0.08 -1.94 -0.12 0.00 2.01 0.00 0.00 34.83 34.86 1wh2 s MET 55 CO -0.10 -1.38 1.43 0.25 -0.01 0.00 0.00 175.02 175.21 1wh2 n THR 56 N -3.04 1.72 0.00 2.05 -2.24 -0.26 -1.66 114.28 110.86 1wh2 n THR 56 Ca 0.09 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 1wh2 n THR 56 Cb 0.53 -1.78 0.00 0.00 -2.10 0.00 0.00 70.33 66.98 1wh2 n THR 56 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wh2 n GLY 57 N 1.04 2.35 3.77 3.38 0.00 -1.26 -5.01 105.19 109.45 1wh2 n GLY 57 Ca 0.05 -0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 1wh2 n GLY 57 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wh2 s GLU 58 N 0.00 1.24 -0.01 1.61 2.02 -0.66 -4.98 118.70 117.91 1wh2 s GLU 58 Ca 0.00 0.45 -0.30 0.00 0.02 0.00 0.00 54.97 55.14 1wh2 s GLU 58 Cb 0.00 -1.84 -0.04 0.00 0.10 0.00 0.00 34.13 32.35 1wh2 s GLU 58 CO 0.00 -2.16 1.26 -1.54 0.02 0.00 0.00 175.26 172.84 1wh2 s SER 59 N -3.86 6.99 0.35 -0.19 1.04 -1.26 -4.87 113.70 111.90 1wh2 s SER 59 Ca 0.63 1.95 0.09 0.00 0.48 0.00 0.00 55.95 59.11 1wh2 s SER 59 Cb -0.16 -2.56 0.83 0.00 0.10 0.00 0.00 66.02 64.24 1wh2 s SER 59 CO 0.54 -0.60 1.85 -0.03 0.98 0.00 0.00 173.24 175.98 1wh2 h MET 60 N 7.43 0.66 0.00 4.02 4.05 -1.93 -1.09 114.93 128.06 1wh2 h MET 60 Ca -0.37 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.01 1wh2 h MET 60 Cb 1.18 -0.15 0.00 0.00 -0.80 0.00 0.00 31.60 31.83 1wh2 h MET 60 CO 0.87 0.43 0.00 0.39 0.23 0.00 0.00 176.91 178.84 1wh2 n GLU 61 N -4.59 0.03 -0.21 0.39 1.02 -1.26 -1.14 120.64 114.87 1wh2 n GLU 61 Ca 0.19 0.30 0.09 0.00 -0.02 0.00 0.00 57.16 57.72 1wh2 n GLU 61 Cb 0.53 -1.50 0.18 0.00 -0.02 0.00 0.00 31.44 30.63 1wh2 n GLU 61 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1wh2 n SER 62 N -1.46 2.94 -4.50 1.62 2.88 -0.43 -5.05 113.62 109.62 1wh2 n SER 62 Ca 0.03 -3.02 -0.32 0.00 -1.33 0.00 0.00 58.87 54.23 1wh2 n SER 62 Cb 0.11 -0.46 0.14 0.00 -0.75 0.00 0.00 64.21 63.25 1wh2 n SER 62 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wh2 n ALA 63 N -1.03 -1.99 -2.33 -1.46 0.00 -0.30 -4.97 120.51 108.43 1wh2 n ALA 63 Ca 0.18 -0.60 -0.17 0.00 0.00 0.00 0.00 53.44 52.84 1wh2 n ALA 63 Cb 0.72 -1.94 -0.10 0.00 0.00 0.00 0.00 19.45 18.14 1wh2 n ALA 63 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1wh2 s VAL 64 N -2.48 1.57 0.01 0.00 -7.23 0.02 -4.90 120.40 107.38 1wh2 s VAL 64 Ca 0.60 -2.13 -0.30 0.00 -1.81 0.00 0.00 61.98 58.35 1wh2 s VAL 64 Cb -0.22 -1.95 -0.08 0.00 0.56 0.00 0.00 36.38 34.69 1wh2 s VAL 64 CO 0.64 -0.61 1.88 -0.76 -0.31 0.00 0.00 175.10 175.94 1wh2 s LEU 65 N -3.20 4.39 0.40 1.32 1.43 -1.26 -1.39 118.68 120.37 1wh2 s LEU 65 Ca 0.20 2.54 0.18 0.00 -1.03 0.00 0.00 54.13 56.02 1wh2 s LEU 65 Cb -0.00 -3.53 1.10 0.00 0.03 0.00 0.00 46.19 43.78 1wh2 s LEU 65 CO 0.05 -1.03 1.77 0.25 0.23 0.00 0.00 176.35 177.62 1wh2 h LEU 66 N 10.56 0.45 -1.52 1.79 5.85 -1.55 -0.79 115.31 130.10 1wh2 h LEU 66 Ca -0.47 0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.31 1wh2 h LEU 66 Cb 1.22 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.26 1wh2 h LEU 66 CO 0.94 0.09 -0.15 0.71 -0.34 0.00 0.00 178.44 179.69 1wh2 h THR 67 N 0.40 0.47 0.00 1.05 1.35 -1.89 0.20 112.91 114.48 1wh2 h THR 67 Ca 0.60 -0.79 -0.26 0.00 -0.55 0.00 0.00 66.41 65.41 1wh2 h THR 67 Cb 1.50 1.55 -0.04 0.00 -1.73 0.00 0.00 68.15 69.43 1wh2 h THR 67 CO -0.30 0.15 -1.46 0.44 -0.25 0.00 0.00 175.52 174.09 1wh2 h ASP 68 N 0.00 0.00 -0.57 5.36 3.32 -1.54 -3.12 116.42 119.87 1wh2 h ASP 68 Ca -0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1wh2 h ASP 68 Cb 0.54 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.06 1wh2 h ASP 68 CO 0.02 0.96 0.34 0.58 -1.72 0.00 0.00 179.24 179.41 1wh2 h VAL 69 N 0.00 1.17 0.00 -1.35 2.07 -0.82 0.14 116.25 117.46 1wh2 h VAL 69 Ca -0.19 -0.39 -0.02 0.00 0.82 0.00 0.00 66.70 66.91 1wh2 h VAL 69 Cb 1.90 0.36 -0.00 0.00 -1.52 0.00 0.00 31.29 32.03 1wh2 h VAL 69 CO 0.09 0.18 -0.08 -0.07 0.02 0.00 0.00 177.57 177.71 1wh2 h LEU 70 N 0.80 0.00 0.22 2.57 4.07 -1.02 0.22 115.31 122.17 1wh2 h LEU 70 Ca 0.21 0.00 -0.31 0.00 0.08 0.00 0.00 57.88 57.85 1wh2 h LEU 70 Cb -0.01 0.00 0.03 0.00 1.08 0.00 0.00 40.66 41.76 1wh2 h LEU 70 CO -0.04 0.08 -1.42 -0.09 -1.08 0.00 0.00 178.44 175.89 1wh2 h ARG 71 N 0.00 0.47 -0.26 1.13 2.43 -1.10 -3.35 114.38 113.70 1wh2 h ARG 71 Ca -0.00 -0.80 -0.09 0.00 -0.81 0.00 0.00 59.98 58.27 1wh2 h ARG 71 Cb 0.21 0.30 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 1wh2 h ARG 71 CO 0.01 1.38 -0.24 -0.07 -1.51 0.00 0.00 179.97 179.55 1wh2 h LEU 72 N 0.04 0.49 -8.97 3.80 3.38 -0.26 -3.39 115.31 110.40 1wh2 h LEU 72 Ca -0.26 -0.16 -0.57 0.00 0.09 0.00 0.00 57.88 56.98 1wh2 h LEU 72 Cb 2.06 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 42.65 1wh2 h LEU 72 CO 0.23 0.73 1.19 -0.55 0.09 0.00 0.00 178.44 180.13 1wh2 s SER 73 N -6.80 6.19 0.03 -0.43 0.15 0.71 -4.97 113.70 108.58 1wh2 s SER 73 Ca -0.07 1.51 -0.17 0.00 0.70 0.00 0.00 55.95 57.92 1wh2 s SER 73 Cb 0.14 -2.53 0.03 0.00 -1.71 0.00 0.00 66.02 61.95 1wh2 s SER 73 CO 0.79 -1.43 0.37 -0.83 1.20 0.00 0.00 173.24 173.34 1wh2 s GLY 74 N 4.97 -0.22 -0.79 9.45 0.00 -1.26 -4.87 107.32 114.60 1wh2 s GLY 74 Ca 0.75 0.25 -0.26 0.00 0.00 0.00 0.00 44.72 45.46 1wh2 s GLY 74 CO 0.31 0.01 1.59 2.56 0.00 0.00 0.00 173.10 177.57 1wh2 s PRO 75 N -2.32 3.01 -0.02 2.90 0.04 -1.26 -4.94 135.00 132.41 1wh2 s PRO 75 Ca -0.06 -0.20 -0.01 0.00 0.04 0.00 0.00 61.00 60.77 1wh2 s PRO 75 Cb -0.01 -4.64 0.02 0.00 0.04 0.00 0.00 34.50 29.91 1wh2 s PRO 75 CO -0.01 -2.53 0.04 -1.12 0.04 0.00 0.00 177.00 173.41 1wh2 s SER 76 N 5.94 0.01 0.44 6.66 0.01 -1.26 -5.17 113.70 120.33 1wh2 s SER 76 Ca 0.52 0.07 0.06 0.00 1.31 0.00 0.00 55.95 57.92 1wh2 s SER 76 Cb -0.07 0.00 -0.04 0.00 0.21 0.00 0.00 66.02 66.12 1wh2 s SER 76 CO 0.09 -0.09 0.19 -0.44 0.41 0.00 0.00 173.24 173.40 1wh2 s SER 77 N 0.68 4.42 0.00 2.44 0.01 -1.26 -5.23 113.70 114.76 1wh2 s SER 77 Ca -0.06 -1.16 0.00 0.00 1.31 0.00 0.00 55.95 56.04 1wh2 s SER 77 Cb -0.08 -0.25 0.00 0.00 0.21 0.00 0.00 66.02 65.90 1wh2 s SER 77 CO -0.02 -0.65 0.00 0.61 0.41 0.00 0.00 173.24 173.58