#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wh2 n SER 2 N 0.00 -1.72 0.00 1.61 3.41 -1.26 -5.13 113.62 110.53 1wh2 n SER 2 Ca 0.00 -0.67 0.00 0.00 -0.26 0.00 0.00 58.87 57.94 1wh2 n SER 2 Cb 0.00 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.56 1wh2 n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1wh2 n SER 3 N -3.80 0.00 -4.45 4.04 7.64 -1.26 -5.10 113.62 110.69 1wh2 n SER 3 Ca 0.06 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.50 1wh2 n SER 3 Cb 0.23 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.38 1wh2 n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wh2 s GLY 4 N 0.00 1.55 -0.10 0.23 0.00 -1.26 -4.73 107.32 103.02 1wh2 s GLY 4 Ca 0.00 -1.78 -0.03 0.00 0.00 0.00 0.00 44.72 42.90 1wh2 s GLY 4 CO 0.00 1.83 0.06 -1.26 0.00 0.00 0.00 173.10 173.73 1wh2 n SER 5 N 7.03 -5.69 -3.83 1.64 2.88 -1.26 -5.01 113.62 109.39 1wh2 n SER 5 Ca -0.05 1.00 -0.29 0.00 -1.33 0.00 0.00 58.87 58.20 1wh2 n SER 5 Cb 0.45 -3.08 -0.13 0.00 -0.75 0.00 0.00 64.21 60.70 1wh2 n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wh2 s SER 6 N -0.68 4.12 -0.12 -3.46 1.04 -1.26 -4.92 113.70 108.42 1wh2 s SER 6 Ca -0.07 -3.28 0.13 0.00 0.48 0.00 0.00 55.95 53.21 1wh2 s SER 6 Cb 0.00 -1.40 0.28 0.00 0.10 0.00 0.00 66.02 65.00 1wh2 s SER 6 CO 0.32 -0.17 1.19 0.61 0.98 0.00 0.00 173.24 176.16 1wh2 n GLY 7 N 2.72 1.18 3.58 7.32 0.00 -1.26 -5.05 105.19 113.67 1wh2 n GLY 7 Ca 0.14 -0.42 -0.40 0.00 0.00 0.00 0.00 46.02 45.34 1wh2 n GLY 7 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wh2 s VAL 8 N -0.57 3.10 0.34 1.61 1.01 -1.26 -4.97 120.40 119.66 1wh2 s VAL 8 Ca 0.15 0.09 0.08 0.00 0.00 0.00 0.00 61.98 62.30 1wh2 s VAL 8 Cb 0.25 -3.19 -0.03 0.00 0.00 0.00 0.00 36.38 33.41 1wh2 s VAL 8 CO -0.08 -0.15 0.22 -0.13 0.00 0.00 0.00 175.10 174.96 1wh2 s ARG 9 N 7.06 2.54 0.43 2.72 1.81 -1.26 -5.15 118.95 127.09 1wh2 s ARG 9 Ca 0.93 -1.43 0.00 0.00 -1.72 0.00 0.00 55.73 53.52 1wh2 s ARG 9 Cb -0.23 -2.32 -0.01 0.00 -0.45 0.00 0.00 34.95 31.93 1wh2 s ARG 9 CO 0.30 0.10 0.64 0.14 -0.68 0.00 0.00 175.30 175.81 1wh2 s VAL 10 N -2.37 4.30 -0.42 3.52 -7.23 -1.26 -5.08 120.40 111.87 1wh2 s VAL 10 Ca 0.39 -0.46 0.06 0.00 -1.81 0.00 0.00 61.98 60.16 1wh2 s VAL 10 Cb -0.04 -3.59 0.21 0.00 0.56 0.00 0.00 36.38 33.52 1wh2 s VAL 10 CO 0.25 -0.41 0.44 0.18 -0.31 0.00 0.00 175.10 175.25 1wh2 n LEU 11 N -2.01 0.06 -4.82 1.32 4.77 -1.26 -5.12 117.00 109.93 1wh2 n LEU 11 Ca -0.00 -4.58 -0.31 0.00 -0.03 0.00 0.00 56.01 51.09 1wh2 n LEU 11 Cb 0.57 0.51 0.05 0.00 -2.33 0.00 0.00 43.42 42.22 1wh2 n LEU 11 CO 0.48 1.96 0.71 -0.55 -1.33 0.00 0.00 177.39 178.66 1wh2 s SER 12 N -0.63 5.34 -0.56 -1.43 0.15 -1.26 -5.01 113.70 110.30 1wh2 s SER 12 Ca 0.34 1.57 -0.20 0.00 0.70 0.00 0.00 55.95 58.36 1wh2 s SER 12 Cb 0.10 -2.44 0.07 0.00 -1.71 0.00 0.00 66.02 62.04 1wh2 s SER 12 CO -0.15 -1.47 0.72 -0.31 1.20 0.00 0.00 173.24 173.23 1wh2 s TYR 13 N -3.07 2.97 -0.67 3.44 1.51 -1.26 -5.00 117.35 115.27 1wh2 s TYR 13 Ca 0.58 -0.64 -0.26 0.00 -1.01 0.00 0.00 57.07 55.74 1wh2 s TYR 13 Cb -0.14 -3.83 -0.01 0.00 -0.11 0.00 0.00 41.96 37.87 1wh2 s TYR 13 CO 0.55 -1.22 1.76 -0.51 -1.11 0.00 0.00 175.55 175.03 1wh2 s ASP 14 N 3.13 5.43 0.00 2.29 1.01 -1.26 -4.79 116.67 122.48 1wh2 s ASP 14 Ca 0.16 0.08 0.25 0.00 0.71 0.00 0.00 52.55 53.74 1wh2 s ASP 14 Cb -0.20 -2.54 0.44 0.00 1.01 0.00 0.00 42.92 41.63 1wh2 s ASP 14 CO 0.10 -2.31 1.37 2.29 0.21 0.00 0.00 175.17 176.83 1wh2 n LYS 15 N 9.19 0.63 0.00 8.23 2.85 -1.26 -2.69 118.16 135.11 1wh2 n LYS 15 Ca 0.20 -0.43 0.00 0.00 -1.05 0.00 0.00 58.31 57.03 1wh2 n LYS 15 Cb 0.51 -1.49 0.00 0.00 -0.65 0.00 0.00 35.03 33.40 1wh2 n LYS 15 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1wh2 n GLU 16 N -0.81 3.04 -4.15 -1.58 -0.58 -1.26 -3.79 120.64 111.52 1wh2 n GLU 16 Ca 0.09 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.54 1wh2 n GLU 16 Cb 0.37 -0.67 -0.08 0.00 -0.57 0.00 0.00 31.44 30.49 1wh2 n GLU 16 CO 0.00 0.00 0.00 -1.59 -0.48 0.00 0.00 177.13 175.06 1wh2 s LYS 17 N -1.21 2.52 -0.71 3.49 -2.85 -1.26 -4.96 119.74 114.77 1wh2 s LYS 17 Ca 0.00 -0.91 -0.27 0.00 -1.00 0.00 0.00 55.97 53.79 1wh2 s LYS 17 Cb 0.00 -2.50 0.01 0.00 -2.06 0.00 0.00 37.83 33.28 1wh2 s LYS 17 CO 0.00 0.51 1.52 -0.51 0.10 0.00 0.00 175.35 176.98 1wh2 s LEU 18 N -2.51 3.22 0.00 2.77 2.01 -1.26 -3.96 118.68 118.94 1wh2 s LEU 18 Ca 0.26 -0.19 0.00 0.00 0.01 0.00 0.00 54.13 54.21 1wh2 s LEU 18 Cb -0.11 -2.55 0.00 0.00 0.01 0.00 0.00 46.19 43.54 1wh2 s LEU 18 CO 0.19 -2.06 0.00 -3.20 1.01 0.00 0.00 176.35 172.29 1wh2 n ASN 19 N 10.76 0.25 -4.43 2.29 2.85 -0.66 -4.60 115.26 121.72 1wh2 n ASN 19 Ca 0.12 -0.19 -0.39 0.00 -0.11 0.00 0.00 54.58 54.01 1wh2 n ASN 19 Cb 0.50 0.42 -0.12 0.00 1.24 0.00 0.00 39.78 41.83 1wh2 n ASN 19 CO 0.00 0.00 0.00 0.26 -2.11 0.00 0.00 177.26 175.41 1wh2 s TRP 20 N -0.47 3.18 0.33 1.20 0.52 0.01 -0.86 118.94 122.85 1wh2 s TRP 20 Ca 0.00 -0.62 -0.07 0.00 0.02 0.00 0.00 56.10 55.43 1wh2 s TRP 20 Cb 0.00 -2.36 -0.06 0.00 -1.15 0.00 0.00 33.47 29.91 1wh2 s TRP 20 CO 0.00 -0.48 0.63 -0.51 0.02 0.00 0.00 176.95 176.62 1wh2 s LEU 21 N 1.60 3.97 0.07 2.99 1.43 0.40 -0.49 118.68 128.65 1wh2 s LEU 21 Ca 0.04 0.86 -0.02 0.00 -1.03 0.00 0.00 54.13 53.99 1wh2 s LEU 21 Cb -0.17 -3.70 -0.04 0.00 0.03 0.00 0.00 46.19 42.31 1wh2 s LEU 21 CO 0.06 -0.28 0.00 -0.72 0.23 0.00 0.00 176.35 175.65 1wh2 s TYR 22 N -2.20 0.55 0.04 0.29 -0.85 -1.14 -1.92 117.35 112.11 1wh2 s TYR 22 Ca 0.46 -1.06 -0.00 0.00 -0.52 0.00 0.00 57.07 55.95 1wh2 s TYR 22 Cb -0.11 -0.38 -0.04 0.00 0.38 0.00 0.00 41.96 41.82 1wh2 s TYR 22 CO 0.31 -0.42 0.18 0.21 -1.52 0.00 0.00 175.55 174.31 1wh2 s LYS 23 N -3.94 3.33 0.51 -3.49 2.20 -1.26 -0.37 119.74 116.72 1wh2 s LYS 23 Ca 0.10 -0.45 0.01 0.00 -0.36 0.00 0.00 55.97 55.27 1wh2 s LYS 23 Cb 0.08 -3.00 -0.01 0.00 -1.51 0.00 0.00 37.83 33.39 1wh2 s LYS 23 CO -0.08 0.62 0.02 0.34 -0.36 0.00 0.00 175.35 175.90 1wh2 s ASP 24 N -2.29 4.16 0.09 1.43 2.15 -0.81 -4.95 116.67 116.45 1wh2 s ASP 24 Ca 0.31 -1.63 0.19 0.00 0.43 0.00 0.00 52.55 51.85 1wh2 s ASP 24 Cb -0.13 0.52 0.80 0.00 -0.30 0.00 0.00 42.92 43.80 1wh2 s ASP 24 CO 0.24 -0.87 1.60 -0.81 -0.17 0.00 0.00 175.17 175.16 1wh2 n PRO 25 N -1.29 0.07 0.29 4.34 -0.04 -1.26 -1.28 135.00 135.83 1wh2 n PRO 25 Ca -0.18 0.28 0.17 0.00 -0.04 0.00 0.00 63.50 63.72 1wh2 n PRO 25 Cb 0.67 -1.63 0.88 0.00 -0.04 0.00 0.00 33.50 33.38 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 0.00 0.00 0.54 4.20 -2.04 -3.46 115.11 114.35 1wh2 h GLN 26 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1wh2 h GLN 26 Cb 0.33 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.11 1wh2 h GLN 26 CO 0.00 0.05 0.00 0.41 -0.67 0.00 0.00 178.83 178.62 1wh2 n GLY 27 N -0.65 1.89 3.76 3.46 0.00 -0.41 -5.04 105.19 108.20 1wh2 n GLY 27 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 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 4.55 0.21 0.99 2.01 -1.26 -4.79 118.68 120.39 1wh2 s LEU 28 Ca 0.00 2.21 -0.30 0.00 0.01 0.00 0.00 54.13 56.05 1wh2 s LEU 28 Cb 0.00 -3.65 -0.09 0.00 0.01 0.00 0.00 46.19 42.46 1wh2 s LEU 28 CO 0.00 -0.11 1.34 -0.69 1.01 0.00 0.00 176.35 177.90 1wh2 s VAL 29 N -1.19 3.09 0.41 -1.59 1.01 -1.26 -1.92 120.40 118.95 1wh2 s VAL 29 Ca 0.44 0.90 0.07 0.00 0.00 0.00 0.00 61.98 63.39 1wh2 s VAL 29 Cb -0.31 -3.57 -0.08 0.00 0.00 0.00 0.00 36.38 32.42 1wh2 s VAL 29 CO 0.39 0.14 0.01 -1.10 0.00 0.00 0.00 175.10 174.54 1wh2 s GLN 30 N -0.18 1.97 1.10 2.72 -1.52 0.50 -4.98 119.66 119.27 1wh2 s GLN 30 Ca 0.57 -2.12 0.00 0.00 -1.95 0.00 0.00 55.36 51.86 1wh2 s GLN 30 Cb -0.38 -1.62 0.00 0.00 -0.22 0.00 0.00 33.01 30.79 1wh2 s GLN 30 CO 0.39 -0.07 0.00 0.41 -0.25 0.00 0.00 175.29 175.78 1wh2 n GLY 31 N -0.98 -1.71 3.84 3.09 0.00 -1.26 -2.89 105.19 105.28 1wh2 n GLY 31 Ca -0.06 -1.61 -0.29 0.00 0.00 0.00 0.00 46.02 44.06 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 1.35 0.06 1.61 0.04 -1.26 -5.00 135.00 131.79 1wh2 s PRO 32 Ca 0.00 0.15 -0.01 0.00 0.04 0.00 0.00 61.00 61.18 1wh2 s PRO 32 Cb 0.00 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.62 1wh2 s PRO 32 CO 0.00 -2.03 -0.02 -0.06 0.04 0.00 0.00 177.00 174.93 1wh2 s PHE 33 N -3.44 0.55 0.38 0.56 0.08 0.36 -4.75 117.98 111.72 1wh2 s PHE 33 Ca 0.64 -1.08 -0.11 0.00 0.12 0.00 0.00 56.93 56.50 1wh2 s PHE 33 Cb -0.12 -0.39 -0.07 0.00 -0.57 0.00 0.00 43.02 41.86 1wh2 s PHE 33 CO 0.52 -0.39 0.75 -1.54 -0.10 0.00 0.00 175.22 174.46 1wh2 s SER 34 N -2.93 6.58 0.55 1.36 1.04 -1.25 -0.81 113.70 118.23 1wh2 s SER 34 Ca 0.08 1.15 0.29 0.00 0.48 0.00 0.00 55.95 57.96 1wh2 s SER 34 Cb 0.08 -2.33 1.62 0.00 0.10 0.00 0.00 66.02 65.49 1wh2 s SER 34 CO -0.09 -0.34 2.14 -0.07 0.98 0.00 0.00 173.24 175.86 1wh2 h LEU 35 N 1.52 0.00 -0.08 2.42 3.38 -1.65 -2.20 115.31 118.70 1wh2 h LEU 35 Ca -0.47 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.25 1wh2 h LEU 35 Cb 1.18 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.94 1wh2 h LEU 35 CO 0.64 0.07 -1.02 0.74 0.09 0.00 0.00 178.44 178.96 1wh2 h THR 36 N 0.00 1.37 -0.12 0.22 2.02 -1.87 -0.92 112.91 113.61 1wh2 h THR 36 Ca -0.00 -2.46 0.02 0.00 0.77 0.00 0.00 66.41 64.74 1wh2 h THR 36 Cb 0.22 2.49 -0.02 0.00 -1.74 0.00 0.00 68.15 69.09 1wh2 h THR 36 CO 0.01 0.74 -0.03 1.56 0.37 0.00 0.00 175.52 178.17 1wh2 h GLN 37 N 0.26 0.00 -0.51 6.66 4.20 -1.76 -1.12 115.11 122.83 1wh2 h GLN 37 Ca -0.11 -0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.58 1wh2 h GLN 37 Cb 1.67 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.43 1wh2 h GLN 37 CO 0.18 0.00 0.23 -0.07 -0.67 0.00 0.00 178.83 178.50 1wh2 h LEU 38 N 0.00 0.65 0.36 1.46 3.38 -1.34 -0.71 115.31 119.11 1wh2 h LEU 38 Ca 0.06 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1wh2 h LEU 38 Cb 0.09 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1wh2 h LEU 38 CO -0.12 0.57 -0.17 0.50 0.09 0.00 0.00 178.44 179.30 1wh2 h LYS 39 N 0.72 -0.46 -1.01 1.13 1.63 -0.87 -1.63 116.57 116.07 1wh2 h LYS 39 Ca 0.18 0.03 0.02 0.00 -0.85 0.00 0.00 60.65 60.03 1wh2 h LYS 39 Cb 0.11 0.11 -0.05 0.00 -0.60 0.00 0.00 32.23 31.79 1wh2 h LYS 39 CO -0.02 -0.29 0.67 0.00 -3.45 0.00 0.00 179.45 176.35 1wh2 h ALA 40 N 0.13 1.30 -0.50 5.00 0.00 -0.28 0.15 119.26 125.07 1wh2 h ALA 40 Ca -0.05 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 1wh2 h ALA 40 Cb 0.38 -0.40 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1wh2 h ALA 40 CO 0.08 0.64 -0.08 -1.49 0.00 0.00 0.00 179.25 178.40 1wh2 h TRP 41 N 1.34 1.04 -0.59 0.00 6.55 -1.18 -0.94 115.95 122.17 1wh2 h TRP 41 Ca 0.38 -0.21 -0.06 0.00 0.95 0.00 0.00 58.89 59.95 1wh2 h TRP 41 Cb -0.12 -0.26 -0.03 0.00 -0.86 0.00 0.00 29.16 27.90 1wh2 h TRP 41 CO -0.00 0.99 0.12 1.03 -1.05 0.00 0.00 178.44 179.52 1wh2 h SER 42 N 0.79 0.88 0.27 -3.49 0.87 -0.44 0.30 113.55 112.72 1wh2 h SER 42 Ca 0.13 -0.18 -0.05 0.00 -1.23 0.00 0.00 61.79 60.46 1wh2 h SER 42 Cb 0.62 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.35 1wh2 h SER 42 CO 0.04 0.87 -0.24 -0.78 -0.53 0.00 0.00 176.83 176.19 1wh2 h ASP 43 N 0.89 0.00 -0.37 6.23 1.82 -0.53 -1.09 116.42 123.37 1wh2 h ASP 43 Ca 0.19 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.83 1wh2 h ASP 43 Cb 0.36 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.37 1wh2 h ASP 43 CO 0.00 0.24 0.00 0.00 -1.61 0.00 0.00 179.24 177.87 1wh2 n ALA 44 N -2.47 2.54 -2.59 -0.78 0.00 -0.37 -4.95 120.51 111.90 1wh2 n ALA 44 Ca -0.02 -0.71 -0.15 0.00 0.00 0.00 0.00 53.44 52.56 1wh2 n ALA 44 Cb 0.30 -0.98 -0.00 0.00 0.00 0.00 0.00 19.45 18.76 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 0.57 -2.48 0.04 0.00 1.02 -0.41 -4.86 120.64 114.53 1wh2 n GLU 45 Ca 0.13 0.64 0.12 0.00 -0.02 0.00 0.00 57.16 58.03 1wh2 n GLU 45 Cb 0.38 -5.27 0.59 0.00 -0.02 0.00 0.00 31.44 27.11 1wh2 n GLU 45 CO 0.00 0.00 0.00 1.88 1.18 0.00 0.00 177.13 180.19 1wh2 h TYR 46 N -0.20 0.20 -2.36 -0.32 -1.99 -1.18 -3.46 116.97 107.65 1wh2 h TYR 46 Ca -0.34 0.01 -0.54 0.00 2.00 0.00 0.00 58.73 59.85 1wh2 h TYR 46 Cb 1.25 -0.06 -0.14 0.00 2.00 0.00 0.00 36.73 39.78 1wh2 h TYR 46 CO 0.67 0.10 -0.64 -0.06 -0.00 0.00 0.00 178.16 178.23 1wh2 s PHE 47 N -5.20 2.15 0.49 4.88 0.08 -1.26 -5.03 117.98 114.09 1wh2 s PHE 47 Ca -0.06 -0.72 0.07 0.00 0.12 0.00 0.00 56.93 56.34 1wh2 s PHE 47 Cb 0.19 -1.34 0.01 0.00 -0.57 0.00 0.00 43.02 41.31 1wh2 s PHE 47 CO 0.72 0.31 0.40 0.95 -0.10 0.00 0.00 175.22 177.50 1wh2 s THR 48 N -2.94 2.11 -1.49 0.64 -4.23 -1.26 -4.95 115.64 103.52 1wh2 s THR 48 Ca 0.33 -1.42 0.13 0.00 -1.18 0.00 0.00 61.69 59.54 1wh2 s THR 48 Cb 0.06 -2.53 0.24 0.00 1.34 0.00 0.00 72.50 71.60 1wh2 s THR 48 CO 0.15 0.00 1.31 0.29 -0.54 0.00 0.00 174.62 175.82 1wh2 n LYS 49 N -1.67 0.21 -0.94 3.99 4.01 -1.26 -3.13 118.16 119.36 1wh2 n LYS 49 Ca 0.02 0.15 0.03 0.00 -0.51 0.00 0.00 58.31 57.99 1wh2 n LYS 49 Cb 0.63 -1.50 0.16 0.00 -0.51 0.00 0.00 35.03 33.81 1wh2 n LYS 49 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 1wh2 n GLN 50 N -1.25 1.51 -2.81 1.97 6.02 -1.26 -4.97 117.38 116.59 1wh2 n GLN 50 Ca 0.06 -3.17 -0.43 0.00 -0.01 0.00 0.00 57.00 53.46 1wh2 n GLN 50 Cb 0.09 -1.40 -0.04 0.00 1.02 0.00 0.00 30.24 29.92 1wh2 n GLN 50 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 1wh2 s PHE 51 N -2.72 2.69 0.48 1.08 2.19 -1.19 -5.01 117.98 115.50 1wh2 s PHE 51 Ca 0.38 -0.19 -0.06 0.00 0.33 0.00 0.00 56.93 57.39 1wh2 s PHE 51 Cb 0.38 -4.22 -0.04 0.00 -1.31 0.00 0.00 43.02 37.83 1wh2 s PHE 51 CO -0.08 -1.54 0.80 1.03 1.83 0.00 0.00 175.22 177.26 1wh2 s ARG 52 N 4.20 3.58 0.03 10.12 3.00 -1.26 -0.77 118.95 137.85 1wh2 s ARG 52 Ca 0.28 0.27 -0.01 0.00 0.00 0.00 0.00 55.73 56.28 1wh2 s ARG 52 Cb -0.13 -2.36 -0.03 0.00 0.00 0.00 0.00 34.95 32.43 1wh2 s ARG 52 CO 0.16 -0.20 -0.02 0.14 0.00 0.00 0.00 175.30 175.37 1wh2 s VAL 53 N -2.71 0.16 0.04 3.52 -7.23 0.23 -4.56 120.40 109.85 1wh2 s VAL 53 Ca 0.48 -1.32 -0.03 0.00 -1.81 0.00 0.00 61.98 59.31 1wh2 s VAL 53 Cb -0.10 -0.85 -0.02 0.00 0.56 0.00 0.00 36.38 35.97 1wh2 s VAL 53 CO 0.43 -0.73 0.03 -1.66 -0.31 0.00 0.00 175.10 172.87 1wh2 s TRP 54 N -2.60 0.32 0.67 2.82 -2.14 -0.81 -1.01 118.94 116.19 1wh2 s TRP 54 Ca -0.05 -0.72 -0.13 0.00 2.66 0.00 0.00 56.10 57.86 1wh2 s TRP 54 Cb -0.02 -0.24 -0.00 0.00 -3.10 0.00 0.00 33.47 30.12 1wh2 s TRP 54 CO -0.05 -0.35 1.07 -1.64 -2.66 0.00 0.00 176.95 173.32 1wh2 s MET 55 N -2.93 2.94 0.65 3.25 -1.94 -1.26 -0.46 119.30 119.55 1wh2 s MET 55 Ca -0.02 1.14 -0.18 0.00 -1.71 0.00 0.00 55.69 54.92 1wh2 s MET 55 Cb 0.01 -1.98 -0.01 0.00 2.01 0.00 0.00 34.83 34.85 1wh2 s MET 55 CO -0.06 -1.11 1.27 0.95 -0.01 0.00 0.00 175.02 176.05 1wh2 s THR 56 N -2.71 2.19 0.00 2.05 -4.23 -0.04 -2.23 115.64 110.67 1wh2 s THR 56 Ca 0.62 0.12 0.00 0.00 -1.18 0.00 0.00 61.69 61.24 1wh2 s THR 56 Cb -0.16 -3.00 0.00 0.00 1.34 0.00 0.00 72.50 70.68 1wh2 s THR 56 CO 0.47 -0.03 0.00 0.61 -0.54 0.00 0.00 174.62 175.13 1wh2 n GLY 57 N 0.76 2.73 3.98 3.99 0.00 -1.26 -5.01 105.19 110.38 1wh2 n GLY 57 Ca 0.15 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.06 2.61 0.33 1.61 0.41 -0.95 -5.10 118.70 117.56 1wh2 s GLU 58 Ca 0.00 -0.84 -0.01 0.00 -0.41 0.00 0.00 54.97 53.72 1wh2 s GLU 58 Cb 0.00 -2.53 -0.04 0.00 -1.78 0.00 0.00 34.13 29.78 1wh2 s GLU 58 CO 0.00 -0.63 0.55 -1.12 -0.49 0.00 0.00 175.26 173.57 1wh2 s SER 59 N -4.40 6.33 0.17 -0.19 0.01 -1.26 -4.87 113.70 109.48 1wh2 s SER 59 Ca 0.56 0.51 0.00 0.00 1.31 0.00 0.00 55.95 58.34 1wh2 s SER 59 Cb -0.10 -2.06 0.02 0.00 0.21 0.00 0.00 66.02 64.09 1wh2 s SER 59 CO 0.38 -0.27 1.40 -0.03 0.41 0.00 0.00 173.24 175.12 1wh2 h MET 60 N 0.98 0.30 -0.77 12.44 4.05 -1.97 -2.81 114.93 127.16 1wh2 h MET 60 Ca -0.49 -0.29 -0.03 0.00 -0.28 0.00 0.00 59.70 58.62 1wh2 h MET 60 Cb 1.21 0.07 -0.04 0.00 -0.80 0.00 0.00 31.60 32.05 1wh2 h MET 60 CO 0.63 0.97 0.38 0.93 0.23 0.00 0.00 176.91 180.04 1wh2 h GLU 61 N 0.19 1.10 0.00 0.39 5.08 -2.01 -1.69 114.58 117.64 1wh2 h GLU 61 Ca -0.04 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1wh2 h GLU 61 Cb 1.42 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1wh2 h GLU 61 CO 0.13 0.84 0.00 0.45 -1.00 0.00 0.00 179.01 179.43 1wh2 n SER 62 N -4.33 0.00 -4.76 1.42 2.88 -1.12 -4.89 113.62 102.82 1wh2 n SER 62 Ca 0.08 -0.24 -0.39 0.00 -1.33 0.00 0.00 58.87 56.98 1wh2 n SER 62 Cb 0.13 -0.18 0.02 0.00 -0.75 0.00 0.00 64.21 63.43 1wh2 n SER 62 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wh2 s ALA 63 N -2.35 3.11 0.37 -1.46 0.00 -0.64 -4.93 121.76 115.85 1wh2 s ALA 63 Ca 0.23 1.37 0.08 0.00 0.00 0.00 0.00 51.96 53.64 1wh2 s ALA 63 Cb 0.14 -3.56 -0.03 0.00 0.00 0.00 0.00 23.12 19.67 1wh2 s ALA 63 CO 0.28 -1.17 0.30 0.14 0.00 0.00 0.00 175.76 175.30 1wh2 s VAL 64 N -1.26 3.14 0.11 0.00 -7.23 -0.18 -4.84 120.40 110.15 1wh2 s VAL 64 Ca 0.64 -1.41 -0.30 0.00 -1.81 0.00 0.00 61.98 59.10 1wh2 s VAL 64 Cb -0.41 -3.09 -0.06 0.00 0.56 0.00 0.00 36.38 33.38 1wh2 s VAL 64 CO 0.52 -0.11 1.04 -0.76 -0.31 0.00 0.00 175.10 175.48 1wh2 s LEU 65 N -4.02 4.46 0.43 1.32 1.43 -1.26 -0.60 118.68 120.43 1wh2 s LEU 65 Ca 0.43 1.90 0.11 0.00 -1.03 0.00 0.00 54.13 55.54 1wh2 s LEU 65 Cb -0.04 -3.59 0.98 0.00 0.03 0.00 0.00 46.19 43.57 1wh2 s LEU 65 CO 0.26 -0.20 2.03 0.25 0.23 0.00 0.00 176.35 178.92 1wh2 h LEU 66 N 5.79 0.38 -1.12 1.79 5.85 -1.25 -1.40 115.31 125.34 1wh2 h LEU 66 Ca -0.43 -0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.22 1wh2 h LEU 66 Cb 1.21 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.14 1wh2 h LEU 66 CO 0.74 0.25 -0.09 0.71 -0.34 0.00 0.00 178.44 179.71 1wh2 h THR 67 N 0.43 1.22 0.17 1.05 1.35 -1.92 0.13 112.91 115.34 1wh2 h THR 67 Ca 0.20 -0.96 -0.01 0.00 -0.55 0.00 0.00 66.41 65.09 1wh2 h THR 67 Cb 0.23 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 67.75 1wh2 h THR 67 CO -0.05 0.32 -0.08 0.44 -0.25 0.00 0.00 175.52 175.89 1wh2 h ASP 68 N 0.47 -0.20 0.12 5.36 5.19 -1.71 -3.03 116.42 122.61 1wh2 h ASP 68 Ca 0.09 -0.32 -0.01 0.00 -0.62 0.00 0.00 57.03 56.17 1wh2 h ASP 68 Cb 0.45 0.05 -0.00 0.00 0.18 0.00 0.00 39.33 40.01 1wh2 h ASP 68 CO 0.02 0.26 -0.06 0.58 -3.12 0.00 0.00 179.24 176.92 1wh2 h VAL 69 N -0.72 0.76 -0.88 -1.35 2.07 -1.15 0.66 116.25 115.65 1wh2 h VAL 69 Ca -0.02 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.25 1wh2 h VAL 69 Cb 0.50 1.14 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 1wh2 h VAL 69 CO 0.04 0.06 0.53 -0.07 0.02 0.00 0.00 177.57 178.16 1wh2 h LEU 70 N 0.00 1.05 -0.19 2.57 4.07 -0.71 0.13 115.31 122.22 1wh2 h LEU 70 Ca -0.00 -0.06 -0.04 0.00 0.08 0.00 0.00 57.88 57.86 1wh2 h LEU 70 Cb 0.14 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.61 1wh2 h LEU 70 CO 0.01 0.80 -0.03 -0.09 -1.08 0.00 0.00 178.44 178.05 1wh2 h ARG 71 N 1.21 0.35 0.18 1.13 2.43 -0.78 -3.15 114.38 115.76 1wh2 h ARG 71 Ca 0.32 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 59.35 1wh2 h ARG 71 Cb -0.06 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.47 1wh2 h ARG 71 CO -0.06 0.59 -0.09 -0.07 -1.51 0.00 0.00 179.97 178.83 1wh2 h LEU 72 N 0.09 -0.21 -3.85 3.80 3.38 -0.90 -2.27 115.31 115.35 1wh2 h LEU 72 Ca 0.05 -0.19 -0.17 0.00 0.09 0.00 0.00 57.88 57.66 1wh2 h LEU 72 Cb 0.45 0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.19 1wh2 h LEU 72 CO 0.01 0.08 -0.27 -0.24 0.09 0.00 0.00 178.44 178.11 1wh2 n SER 73 N -5.08 5.34 -3.93 -0.43 2.88 0.40 -4.79 113.62 108.00 1wh2 n SER 73 Ca -0.09 -2.51 -0.22 0.00 -1.33 0.00 0.00 58.87 54.72 1wh2 n SER 73 Cb 0.21 -1.36 -0.16 0.00 -0.75 0.00 0.00 64.21 62.15 1wh2 n SER 73 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wh2 s GLY 74 N 1.90 0.56 -0.44 0.46 0.00 -0.86 -4.87 107.32 104.08 1wh2 s GLY 74 Ca 0.55 -0.18 -0.27 0.00 0.00 0.00 0.00 44.72 44.82 1wh2 s GLY 74 CO -0.01 0.37 2.05 2.56 0.00 0.00 0.00 173.10 178.07 1wh2 s PRO 75 N 0.89 2.76 -0.27 2.90 0.04 -1.26 -4.86 135.00 135.20 1wh2 s PRO 75 Ca -0.11 1.28 -0.00 0.00 0.04 0.00 0.00 61.00 62.20 1wh2 s PRO 75 Cb -0.15 -4.38 0.14 0.00 0.04 0.00 0.00 34.50 30.15 1wh2 s PRO 75 CO 0.01 -2.53 0.36 0.45 0.04 0.00 0.00 177.00 175.33 1wh2 s SER 76 N 8.66 0.70 0.36 6.66 0.15 -1.26 -5.05 113.70 123.92 1wh2 s SER 76 Ca 0.84 -0.30 0.19 0.00 0.70 0.00 0.00 55.95 57.39 1wh2 s SER 76 Cb -0.20 0.93 0.42 0.00 -1.71 0.00 0.00 66.02 65.46 1wh2 s SER 76 CO 0.28 -0.35 1.61 0.28 1.20 0.00 0.00 173.24 176.26 1wh2 h SER 77 N 8.20 0.00 0.00 5.45 0.02 -2.02 -3.53 113.55 121.68 1wh2 h SER 77 Ca -0.13 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 1wh2 h SER 77 Cb 1.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.66 1wh2 h SER 77 CO 0.28 0.34 0.00 0.61 -1.14 0.00 0.00 176.83 176.92