#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 -3.91 -3.91 1.61 7.64 -1.26 -5.05 113.62 108.74 1wh2 n SER 2 Ca 0.00 -0.42 -0.15 0.00 1.01 0.00 0.00 58.87 59.31 1wh2 n SER 2 Cb 0.00 -3.85 -0.09 0.00 -1.01 0.00 0.00 64.21 59.26 1wh2 n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wh2 s SER 3 N -3.55 0.83 0.26 6.43 0.01 -1.26 -5.01 113.70 111.42 1wh2 s SER 3 Ca 0.25 -1.53 0.00 0.00 1.31 0.00 0.00 55.95 55.99 1wh2 s SER 3 Cb -0.11 0.43 0.00 0.00 0.21 0.00 0.00 66.02 66.55 1wh2 s SER 3 CO 0.53 -0.91 0.00 0.61 0.41 0.00 0.00 173.24 173.88 1wh2 n GLY 4 N -0.42 1.73 6.33 3.44 0.00 -1.26 -4.97 105.19 110.04 1wh2 n GLY 4 Ca 0.04 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1wh2 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wh2 n SER 5 N 6.23 0.00 -3.89 1.61 7.64 -1.26 -4.65 113.62 119.30 1wh2 n SER 5 Ca 0.00 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.76 1wh2 n SER 5 Cb 0.00 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.13 1wh2 n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wh2 s SER 6 N -3.85 0.25 0.00 6.43 1.04 -1.26 -5.11 113.70 111.19 1wh2 s SER 6 Ca 0.00 -1.22 0.00 0.00 0.48 0.00 0.00 55.95 55.21 1wh2 s SER 6 Cb 0.00 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.65 1wh2 s SER 6 CO 0.00 -1.07 0.00 0.61 0.98 0.00 0.00 173.24 173.76 1wh2 n GLY 7 N -0.39 0.11 3.57 7.32 0.00 -1.26 -5.01 105.19 109.52 1wh2 n GLY 7 Ca 0.00 0.30 -0.33 0.00 0.00 0.00 0.00 46.02 45.99 1wh2 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wh2 s VAL 8 N 0.00 3.68 0.00 1.61 0.11 -1.26 -2.91 120.40 121.62 1wh2 s VAL 8 Ca 0.00 -0.73 0.00 0.00 -2.93 0.00 0.00 61.98 58.32 1wh2 s VAL 8 Cb 0.00 -4.53 0.00 0.00 -1.53 0.00 0.00 36.38 30.32 1wh2 s VAL 8 CO 0.00 -1.37 0.00 0.54 -3.33 0.00 0.00 175.10 170.94 1wh2 n ARG 9 N 8.73 -1.73 -2.19 1.54 1.74 -1.26 -4.95 116.66 118.55 1wh2 n ARG 9 Ca 0.40 0.10 -0.42 0.00 -0.77 0.00 0.00 57.85 57.15 1wh2 n ARG 9 Cb 0.48 -2.92 -0.03 0.00 -1.02 0.00 0.00 32.46 28.97 1wh2 n ARG 9 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1wh2 s VAL 10 N -0.24 3.73 -0.38 1.55 1.01 -1.15 -4.96 120.40 119.97 1wh2 s VAL 10 Ca 0.00 1.04 0.01 0.00 0.00 0.00 0.00 61.98 63.03 1wh2 s VAL 10 Cb 0.00 -3.67 0.15 0.00 0.00 0.00 0.00 36.38 32.86 1wh2 s VAL 10 CO 0.00 -0.04 0.24 -0.76 0.00 0.00 0.00 175.10 174.55 1wh2 s LEU 11 N 2.95 1.27 0.70 3.92 1.43 -1.26 -4.59 118.68 123.10 1wh2 s LEU 11 Ca 0.65 -2.42 -0.11 0.00 -1.03 0.00 0.00 54.13 51.22 1wh2 s LEU 11 Cb -0.31 -0.48 0.01 0.00 0.03 0.00 0.00 46.19 45.44 1wh2 s LEU 11 CO 0.26 -0.27 1.06 -0.55 0.23 0.00 0.00 176.35 177.07 1wh2 s SER 12 N 0.77 5.36 -0.49 2.29 0.15 -1.26 -5.01 113.70 115.51 1wh2 s SER 12 Ca 0.21 1.57 -0.14 0.00 0.70 0.00 0.00 55.95 58.30 1wh2 s SER 12 Cb -0.18 -2.45 0.11 0.00 -1.71 0.00 0.00 66.02 61.79 1wh2 s SER 12 CO -0.03 -1.45 0.41 -0.31 1.20 0.00 0.00 173.24 173.05 1wh2 s TYR 13 N -3.07 3.30 -0.45 3.44 1.51 -1.26 -5.04 117.35 115.77 1wh2 s TYR 13 Ca 0.58 -1.34 -0.28 0.00 -1.01 0.00 0.00 57.07 55.02 1wh2 s TYR 13 Cb -0.14 -3.45 0.01 0.00 -0.11 0.00 0.00 41.96 38.27 1wh2 s TYR 13 CO 0.55 -0.93 1.46 -0.51 -1.11 0.00 0.00 175.55 175.01 1wh2 s ASP 14 N 2.94 6.21 0.37 2.29 1.01 -1.26 -4.90 116.67 123.32 1wh2 s ASP 14 Ca 0.04 0.72 0.20 0.00 0.71 0.00 0.00 52.55 54.21 1wh2 s ASP 14 Cb -0.27 -2.54 0.22 0.00 1.01 0.00 0.00 42.92 41.35 1wh2 s ASP 14 CO 0.03 -1.56 1.52 0.07 0.21 0.00 0.00 175.17 175.44 1wh2 h LYS 15 N 11.15 0.00 -0.01 8.23 2.10 -1.99 -3.37 116.57 132.67 1wh2 h LYS 15 Ca -0.28 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.37 1wh2 h LYS 15 Cb 1.11 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.44 1wh2 h LYS 15 CO 1.11 0.19 -0.47 -0.85 -2.00 0.00 0.00 179.45 177.42 1wh2 n GLU 16 N -3.13 1.46 -4.18 0.07 0.28 -1.26 -3.03 120.64 110.84 1wh2 n GLU 16 Ca 0.03 -0.71 -0.30 0.00 -0.16 0.00 0.00 57.16 56.02 1wh2 n GLU 16 Cb 0.61 -1.34 -0.09 0.00 1.43 0.00 0.00 31.44 32.05 1wh2 n GLU 16 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 1wh2 s LYS 17 N -2.22 2.31 -0.96 3.44 -2.85 -1.26 -4.98 119.74 113.22 1wh2 s LYS 17 Ca 0.13 -0.94 -0.24 0.00 -1.00 0.00 0.00 55.97 53.93 1wh2 s LYS 17 Cb 0.15 -2.41 0.05 0.00 -2.06 0.00 0.00 37.83 33.56 1wh2 s LYS 17 CO 0.52 0.52 1.40 -0.51 0.10 0.00 0.00 175.35 177.38 1wh2 s LEU 18 N -2.25 3.50 0.00 2.77 2.01 -1.26 -4.20 118.68 119.25 1wh2 s LEU 18 Ca 0.23 -1.29 0.00 0.00 0.01 0.00 0.00 54.13 53.08 1wh2 s LEU 18 Cb -0.11 -2.56 0.00 0.00 0.01 0.00 0.00 46.19 43.53 1wh2 s LEU 18 CO 0.16 -1.55 0.45 -3.20 1.01 0.00 0.00 176.35 173.22 1wh2 n ASN 19 N 8.88 0.73 -4.33 2.29 5.15 -0.86 -4.62 115.26 122.51 1wh2 n ASN 19 Ca 0.27 -1.20 -0.29 0.00 -0.60 0.00 0.00 54.58 52.77 1wh2 n ASN 19 Cb 0.51 0.00 -0.14 0.00 -0.53 0.00 0.00 39.78 39.61 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 -0.20 2.18 0.17 1.20 0.52 -0.91 -0.93 118.94 120.96 1wh2 s TRP 20 Ca 0.00 -0.40 0.10 0.00 0.02 0.00 0.00 56.10 55.82 1wh2 s TRP 20 Cb 0.00 -1.28 -0.04 0.00 -1.15 0.00 0.00 33.47 31.00 1wh2 s TRP 20 CO 0.00 0.15 -0.18 -0.51 0.02 0.00 0.00 176.95 176.43 1wh2 s LEU 21 N -1.37 2.66 0.08 2.99 1.43 0.47 -0.54 118.68 124.41 1wh2 s LEU 21 Ca 0.11 -0.70 0.03 0.00 -1.03 0.00 0.00 54.13 52.53 1wh2 s LEU 21 Cb -0.10 -1.41 -0.03 0.00 0.03 0.00 0.00 46.19 44.68 1wh2 s LEU 21 CO 0.03 0.13 -0.08 -0.72 0.23 0.00 0.00 176.35 175.93 1wh2 s TYR 22 N -1.54 0.88 -0.16 0.29 -0.85 -1.26 -1.34 117.35 113.36 1wh2 s TYR 22 Ca 0.21 -0.66 -0.19 0.00 -0.52 0.00 0.00 57.07 55.91 1wh2 s TYR 22 Cb -0.09 -0.50 -0.04 0.00 0.38 0.00 0.00 41.96 41.71 1wh2 s TYR 22 CO 0.11 -0.07 0.51 0.21 -1.52 0.00 0.00 175.55 174.80 1wh2 s LYS 23 N -2.60 4.26 1.03 -3.49 2.20 -1.26 -2.44 119.74 117.43 1wh2 s LYS 23 Ca 0.01 0.45 -0.17 0.00 -0.36 0.00 0.00 55.97 55.90 1wh2 s LYS 23 Cb -0.03 -3.51 0.25 0.00 -1.51 0.00 0.00 37.83 33.02 1wh2 s LYS 23 CO -0.01 -0.03 1.11 -0.40 -0.36 0.00 0.00 175.35 175.66 1wh2 n ASP 24 N 4.34 -1.06 0.16 1.43 5.68 -0.29 -4.82 116.55 121.98 1wh2 n ASP 24 Ca -0.05 -1.27 0.04 0.00 -0.50 0.00 0.00 54.79 53.01 1wh2 n ASP 24 Cb 0.51 -0.93 0.12 0.00 -1.14 0.00 0.00 41.12 39.67 1wh2 n ASP 24 CO 0.00 0.00 0.00 1.55 -1.33 0.00 0.00 177.20 177.42 1wh2 h PRO 25 N 0.00 0.00 0.00 0.11 0.13 -1.99 -3.10 132.00 127.14 1wh2 h PRO 25 Ca -0.39 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.72 1wh2 h PRO 25 Cb 1.13 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.26 1wh2 h PRO 25 CO 0.26 0.45 -0.09 1.96 -0.23 0.00 0.00 178.00 180.35 1wh2 h GLN 26 N 0.00 0.00 0.00 0.86 4.20 -2.04 -3.46 115.11 114.67 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 1.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.03 1wh2 h GLN 26 CO 0.06 0.09 0.00 0.41 -0.67 0.00 0.00 178.83 178.72 1wh2 n GLY 27 N -0.64 0.84 3.72 3.46 0.00 -1.17 -5.09 105.19 106.32 1wh2 n GLY 27 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 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 4.42 -0.32 0.99 2.01 -1.26 -4.83 118.68 119.69 1wh2 s LEU 28 Ca 0.00 1.63 -0.29 0.00 0.01 0.00 0.00 54.13 55.48 1wh2 s LEU 28 Cb 0.00 -3.48 -0.00 0.00 0.01 0.00 0.00 46.19 42.71 1wh2 s LEU 28 CO 0.00 -0.14 1.46 -0.69 1.01 0.00 0.00 176.35 177.99 1wh2 s VAL 29 N 0.48 3.89 0.00 -1.59 1.01 -1.26 -1.14 120.40 121.79 1wh2 s VAL 29 Ca 0.47 0.97 0.00 0.00 0.00 0.00 0.00 61.98 63.42 1wh2 s VAL 29 Cb -0.21 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 32.15 1wh2 s VAL 29 CO 0.27 -0.52 0.00 0.00 0.00 0.00 0.00 175.10 174.85 1wh2 n GLN 30 N 7.75 1.30 0.00 2.72 1.13 -1.02 -5.00 117.38 124.26 1wh2 n GLN 30 Ca 0.17 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.23 1wh2 n GLN 30 Cb 0.47 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.82 1wh2 n GLN 30 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1wh2 n GLY 31 N 5.00 -2.04 3.85 1.08 0.00 -1.26 -4.75 105.19 107.07 1wh2 n GLY 31 Ca 0.00 -1.49 -0.30 0.00 0.00 0.00 0.00 46.02 44.24 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 0.62 0.13 1.61 0.04 -1.26 -5.10 135.00 131.05 1wh2 s PRO 32 Ca 0.00 -0.17 -0.01 0.00 0.04 0.00 0.00 61.00 60.86 1wh2 s PRO 32 Cb 0.00 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.68 1wh2 s PRO 32 CO 0.00 -2.46 0.07 -0.06 0.04 0.00 0.00 177.00 174.59 1wh2 s PHE 33 N -3.61 0.84 0.27 0.56 0.08 0.30 -4.89 117.98 111.54 1wh2 s PHE 33 Ca 0.70 -1.21 -0.07 0.00 0.12 0.00 0.00 56.93 56.47 1wh2 s PHE 33 Cb -0.07 -0.46 -0.06 0.00 -0.57 0.00 0.00 43.02 41.86 1wh2 s PHE 33 CO 0.53 -0.53 0.57 -1.54 -0.10 0.00 0.00 175.22 174.14 1wh2 s SER 34 N -3.05 6.52 0.24 1.36 1.04 -1.26 -2.02 113.70 116.53 1wh2 s SER 34 Ca 0.24 0.82 -0.05 0.00 0.48 0.00 0.00 55.95 57.44 1wh2 s SER 34 Cb 0.07 -2.19 0.42 0.00 0.10 0.00 0.00 66.02 64.42 1wh2 s SER 34 CO 0.02 -0.16 1.72 -0.07 0.98 0.00 0.00 173.24 175.73 1wh2 h LEU 35 N 1.99 0.20 -0.58 2.42 3.38 -1.77 -0.07 115.31 120.88 1wh2 h LEU 35 Ca -0.47 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.60 1wh2 h LEU 35 Cb 1.18 0.11 -0.03 0.00 0.09 0.00 0.00 40.66 42.01 1wh2 h LEU 35 CO 0.67 0.07 0.33 0.74 0.09 0.00 0.00 178.44 180.35 1wh2 h THR 36 N 0.39 1.18 -0.27 0.22 2.02 -1.94 0.79 112.91 115.30 1wh2 h THR 36 Ca 0.39 -0.43 -0.07 0.00 0.77 0.00 0.00 66.41 67.08 1wh2 h THR 36 Cb 0.59 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 1wh2 h THR 36 CO -0.41 0.19 -0.09 1.56 0.37 0.00 0.00 175.52 177.14 1wh2 h GLN 37 N 0.78 0.54 -0.73 6.66 4.20 -1.65 -1.04 115.11 123.88 1wh2 h GLN 37 Ca 0.21 -0.22 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 1wh2 h GLN 37 Cb 0.01 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.73 1wh2 h GLN 37 CO -0.04 0.77 0.44 -0.07 -0.67 0.00 0.00 178.83 179.26 1wh2 h LEU 38 N 0.29 0.87 0.11 1.46 3.38 -0.81 -0.40 115.31 120.22 1wh2 h LEU 38 Ca 0.07 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1wh2 h LEU 38 Cb 0.58 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 1wh2 h LEU 38 CO 0.03 0.67 -0.06 0.50 0.09 0.00 0.00 178.44 179.67 1wh2 h LYS 39 N 0.99 -0.16 -0.98 1.13 3.64 -0.77 -1.37 116.57 119.05 1wh2 h LYS 39 Ca 0.26 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.68 1wh2 h LYS 39 Cb -0.04 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 31.76 1wh2 h LYS 39 CO -0.05 -0.11 0.65 0.00 -2.27 0.00 0.00 179.45 177.67 1wh2 h ALA 40 N 0.72 1.33 -0.34 5.00 0.00 -0.37 0.13 119.26 125.74 1wh2 h ALA 40 Ca -0.01 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 1wh2 h ALA 40 Cb 0.13 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1wh2 h ALA 40 CO 0.02 0.59 -0.19 -1.49 0.00 0.00 0.00 179.25 178.18 1wh2 h TRP 41 N 1.28 0.85 -0.76 0.00 6.55 -1.08 -1.86 115.95 120.93 1wh2 h TRP 41 Ca 0.38 -0.22 -0.02 0.00 0.95 0.00 0.00 58.89 59.98 1wh2 h TRP 41 Cb -0.07 -0.19 -0.04 0.00 -0.86 0.00 0.00 29.16 28.00 1wh2 h TRP 41 CO -0.00 0.95 0.41 1.03 -1.05 0.00 0.00 178.44 179.77 1wh2 h SER 42 N 0.51 0.95 0.29 -3.49 0.87 -0.33 -0.72 113.55 111.63 1wh2 h SER 42 Ca 0.07 -0.10 -0.03 0.00 -1.23 0.00 0.00 61.79 60.50 1wh2 h SER 42 Cb 0.74 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 62.45 1wh2 h SER 42 CO 0.06 0.78 -0.15 -0.78 -0.53 0.00 0.00 176.83 176.21 1wh2 h ASP 43 N 1.05 0.00 -0.56 6.23 3.58 -0.73 -0.32 116.42 125.67 1wh2 h ASP 43 Ca 0.27 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.71 1wh2 h ASP 43 Cb 0.05 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.10 1wh2 h ASP 43 CO -0.04 0.15 0.01 0.00 -2.88 0.00 0.00 179.24 176.48 1wh2 n ALA 44 N -2.36 3.87 -1.79 -0.78 0.00 -0.71 -4.97 120.51 113.78 1wh2 n ALA 44 Ca -0.02 -1.86 -0.15 0.00 0.00 0.00 0.00 53.44 51.41 1wh2 n ALA 44 Cb 0.24 -1.13 -0.04 0.00 0.00 0.00 0.00 19.45 18.52 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 0.58 -1.59 0.00 0.00 1.02 -0.13 -4.84 120.64 115.68 1wh2 n GLU 45 Ca 0.27 0.82 0.04 0.00 -0.02 0.00 0.00 57.16 58.27 1wh2 n GLU 45 Cb 1.18 -5.22 0.21 0.00 -0.02 0.00 0.00 31.44 27.58 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 -2.55 0.00 -4.35 -0.32 4.01 -0.40 -4.79 117.16 108.76 1wh2 n TYR 46 Ca -0.16 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.40 1wh2 n TYR 46 Cb 0.54 -0.26 -0.10 0.00 -0.31 0.00 0.00 39.34 39.20 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 -2.53 1.63 0.56 -0.72 0.08 -1.26 -5.00 117.98 110.75 1wh2 s PHE 47 Ca 0.08 -1.03 0.04 0.00 0.12 0.00 0.00 56.93 56.15 1wh2 s PHE 47 Cb 0.05 -0.99 0.06 0.00 -0.57 0.00 0.00 43.02 41.58 1wh2 s PHE 47 CO 0.12 -0.14 0.77 0.95 -0.10 0.00 0.00 175.22 176.82 1wh2 s THR 48 N -3.52 2.52 -2.05 0.64 -4.23 -1.26 -5.00 115.64 102.74 1wh2 s THR 48 Ca 0.33 -0.81 0.11 0.00 -1.18 0.00 0.00 61.69 60.14 1wh2 s THR 48 Cb 0.07 -2.71 0.28 0.00 1.34 0.00 0.00 72.50 71.49 1wh2 s THR 48 CO 0.12 0.00 1.32 0.29 -0.54 0.00 0.00 174.62 175.81 1wh2 n LYS 49 N -2.30 1.37 -0.89 3.99 4.01 -1.26 -3.52 118.16 119.56 1wh2 n LYS 49 Ca 0.11 -0.57 0.04 0.00 -0.51 0.00 0.00 58.31 57.38 1wh2 n LYS 49 Cb 0.60 -1.21 0.07 0.00 -0.51 0.00 0.00 35.03 33.98 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 -0.11 0.46 -3.08 1.97 6.02 -1.26 -5.10 117.38 116.28 1wh2 n GLN 50 Ca 0.09 -2.07 -0.39 0.00 -0.01 0.00 0.00 57.00 54.62 1wh2 n GLN 50 Cb 0.16 -0.63 -0.06 0.00 1.02 0.00 0.00 30.24 30.74 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 -0.98 3.80 0.26 1.08 5.36 -1.23 -5.04 117.98 121.23 1wh2 s PHE 51 Ca 0.26 1.43 0.06 0.00 -0.96 0.00 0.00 56.93 57.72 1wh2 s PHE 51 Cb 0.27 -2.70 -0.06 0.00 -0.34 0.00 0.00 43.02 40.20 1wh2 s PHE 51 CO -0.08 0.43 -0.06 1.03 -1.46 0.00 0.00 175.22 175.08 1wh2 s ARG 52 N -0.65 1.49 0.03 10.12 3.00 -1.26 -1.90 118.95 129.77 1wh2 s ARG 52 Ca 0.34 -1.74 -0.05 0.00 0.00 0.00 0.00 55.73 54.27 1wh2 s ARG 52 Cb -0.21 -1.05 -0.01 0.00 0.00 0.00 0.00 34.95 33.69 1wh2 s ARG 52 CO 0.22 0.03 0.09 0.14 0.00 0.00 0.00 175.30 175.78 1wh2 s VAL 53 N -3.09 0.12 0.05 3.52 -7.23 -0.31 -4.39 120.40 109.07 1wh2 s VAL 53 Ca 0.28 -0.97 -0.02 0.00 -1.81 0.00 0.00 61.98 59.47 1wh2 s VAL 53 Cb 0.04 -0.71 -0.03 0.00 0.56 0.00 0.00 36.38 36.24 1wh2 s VAL 53 CO 0.11 -0.53 0.00 -1.66 -0.31 0.00 0.00 175.10 172.70 1wh2 s TRP 54 N -2.16 0.44 0.66 2.82 -2.14 -0.45 -1.02 118.94 117.09 1wh2 s TRP 54 Ca -0.09 -0.94 -0.13 0.00 2.66 0.00 0.00 56.10 57.60 1wh2 s TRP 54 Cb -0.04 -0.33 -0.00 0.00 -3.10 0.00 0.00 33.47 30.00 1wh2 s TRP 54 CO -0.02 -0.38 1.06 -1.64 -2.66 0.00 0.00 176.95 173.31 1wh2 s MET 55 N -3.65 3.02 0.18 3.25 -1.94 -1.26 -0.39 119.30 118.51 1wh2 s MET 55 Ca 0.04 1.08 -0.33 0.00 -1.71 0.00 0.00 55.69 54.77 1wh2 s MET 55 Cb 0.06 -2.00 -0.13 0.00 2.01 0.00 0.00 34.83 34.77 1wh2 s MET 55 CO -0.09 -1.04 1.64 0.25 -0.01 0.00 0.00 175.02 175.76 1wh2 n THR 56 N -2.74 0.03 -0.66 2.05 -2.24 -0.11 -1.93 114.28 108.69 1wh2 n THR 56 Ca 0.08 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 1wh2 n THR 56 Cb 0.53 -1.73 0.00 0.00 -2.10 0.00 0.00 70.33 67.03 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 3.61 1.36 3.89 3.38 0.00 -1.26 -5.02 105.19 111.16 1wh2 n GLY 57 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.10 2.36 0.32 1.61 2.02 -0.81 -5.05 118.70 119.04 1wh2 s GLU 58 Ca 0.00 0.25 -0.26 0.00 0.02 0.00 0.00 54.97 54.98 1wh2 s GLU 58 Cb 0.00 -1.99 -0.10 0.00 0.10 0.00 0.00 34.13 32.14 1wh2 s GLU 58 CO 0.00 -1.34 0.94 -1.54 0.02 0.00 0.00 175.26 173.34 1wh2 s SER 59 N -4.48 7.35 0.56 -0.19 1.04 -1.26 -4.89 113.70 111.83 1wh2 s SER 59 Ca 0.60 1.84 0.25 0.00 0.48 0.00 0.00 55.95 59.12 1wh2 s SER 59 Cb -0.11 -2.58 1.60 0.00 0.10 0.00 0.00 66.02 65.03 1wh2 s SER 59 CO 0.50 -0.05 2.19 -0.03 0.98 0.00 0.00 173.24 176.83 1wh2 h MET 60 N 3.23 0.00 0.00 4.02 4.05 -1.97 -0.75 114.93 123.52 1wh2 h MET 60 Ca -0.47 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.95 1wh2 h MET 60 Cb 1.19 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.99 1wh2 h MET 60 CO 0.65 0.00 0.00 0.39 0.23 0.00 0.00 176.91 178.18 1wh2 n GLU 61 N -4.10 0.28 0.00 0.39 1.02 -1.26 -1.59 120.64 115.39 1wh2 n GLU 61 Ca -0.02 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.26 1wh2 n GLU 61 Cb 0.14 -1.50 0.56 0.00 -0.02 0.00 0.00 31.44 30.62 1wh2 n GLU 61 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1wh2 n SER 62 N -1.36 1.15 -4.68 1.62 7.64 -0.29 -5.00 113.62 112.71 1wh2 n SER 62 Ca 0.12 -1.26 -0.42 0.00 1.01 0.00 0.00 58.87 58.32 1wh2 n SER 62 Cb 0.27 0.02 -0.03 0.00 -1.01 0.00 0.00 64.21 63.46 1wh2 n SER 62 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wh2 s ALA 63 N -2.12 3.66 0.42 -0.43 0.00 -0.62 -4.90 121.76 117.77 1wh2 s ALA 63 Ca 0.36 1.13 0.04 0.00 0.00 0.00 0.00 51.96 53.49 1wh2 s ALA 63 Cb 0.21 -3.70 0.00 0.00 0.00 0.00 0.00 23.12 19.63 1wh2 s ALA 63 CO 0.38 -1.17 0.60 0.14 0.00 0.00 0.00 175.76 175.71 1wh2 s VAL 64 N 3.00 3.61 0.16 0.00 -7.23 -0.19 -4.75 120.40 115.00 1wh2 s VAL 64 Ca 0.74 -0.79 -0.31 0.00 -1.81 0.00 0.00 61.98 59.80 1wh2 s VAL 64 Cb -0.38 -3.29 -0.09 0.00 0.56 0.00 0.00 36.38 33.18 1wh2 s VAL 64 CO 0.32 -0.15 1.48 -0.76 -0.31 0.00 0.00 175.10 175.67 1wh2 s LEU 65 N -4.42 4.37 0.44 1.32 1.43 -1.26 -1.16 118.68 119.39 1wh2 s LEU 65 Ca 0.50 2.52 0.18 0.00 -1.03 0.00 0.00 54.13 56.30 1wh2 s LEU 65 Cb -0.10 -3.60 1.11 0.00 0.03 0.00 0.00 46.19 43.64 1wh2 s LEU 65 CO 0.35 -0.74 1.90 0.25 0.23 0.00 0.00 176.35 178.34 1wh2 h LEU 66 N 6.50 0.34 -0.77 1.79 5.85 -1.69 -2.03 115.31 125.30 1wh2 h LEU 66 Ca -0.43 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.30 1wh2 h LEU 66 Cb 1.21 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 42.16 1wh2 h LEU 66 CO 0.87 0.16 0.41 0.71 -0.34 0.00 0.00 178.44 180.26 1wh2 h THR 67 N 0.36 1.23 0.11 1.05 1.35 -1.91 -1.90 112.91 113.20 1wh2 h THR 67 Ca 0.40 -0.60 -0.01 0.00 -0.55 0.00 0.00 66.41 65.66 1wh2 h THR 67 Cb 1.03 0.22 0.00 0.00 -1.73 0.00 0.00 68.15 67.67 1wh2 h THR 67 CO -0.12 0.26 -0.05 0.44 -0.25 0.00 0.00 175.52 175.80 1wh2 h ASP 68 N 1.07 -0.12 0.06 5.36 5.19 -1.77 -3.15 116.42 123.05 1wh2 h ASP 68 Ca 0.27 -0.24 -0.01 0.00 -0.62 0.00 0.00 57.03 56.43 1wh2 h ASP 68 Cb 0.05 0.03 -0.00 0.00 0.18 0.00 0.00 39.33 39.59 1wh2 h ASP 68 CO -0.04 0.17 -0.06 0.58 -3.12 0.00 0.00 179.24 176.77 1wh2 h VAL 69 N -0.43 1.04 -0.13 -1.35 2.07 -1.12 0.16 116.25 116.49 1wh2 h VAL 69 Ca -0.01 -0.20 0.04 0.00 0.82 0.00 0.00 66.70 67.35 1wh2 h VAL 69 Cb 0.35 1.11 -0.07 0.00 -1.52 0.00 0.00 31.29 31.16 1wh2 h VAL 69 CO 0.02 0.06 -0.43 -0.07 0.02 0.00 0.00 177.57 177.18 1wh2 h LEU 70 N 0.00 -1.34 -1.00 2.57 4.07 -1.32 -0.90 115.31 117.39 1wh2 h LEU 70 Ca -0.00 0.18 -0.05 0.00 0.08 0.00 0.00 57.88 58.09 1wh2 h LEU 70 Cb 0.10 0.54 -0.03 0.00 1.08 0.00 0.00 40.66 42.36 1wh2 h LEU 70 CO 0.01 -0.43 0.19 -0.09 -1.08 0.00 0.00 178.44 177.03 1wh2 h ARG 71 N -0.50 0.90 0.00 1.13 2.43 -0.78 -0.68 114.38 116.89 1wh2 h ARG 71 Ca 0.07 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 1wh2 h ARG 71 Cb 0.63 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 1wh2 h ARG 71 CO -0.40 0.78 0.00 -0.07 -1.51 0.00 0.00 179.97 178.77 1wh2 h LEU 72 N 0.88 0.00 0.06 3.80 4.07 -0.78 -2.80 115.31 120.54 1wh2 h LEU 72 Ca 0.20 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 58.06 1wh2 h LEU 72 Cb 0.26 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.00 1wh2 h LEU 72 CO -0.01 0.00 -0.45 0.28 -1.08 0.00 0.00 178.44 177.18 1wh2 h SER 73 N 0.00 0.19 -5.15 -0.43 0.02 0.31 -3.48 113.55 105.02 1wh2 h SER 73 Ca 0.00 -0.95 -0.08 0.00 -0.84 0.00 0.00 61.79 59.93 1wh2 h SER 73 Cb 0.06 -0.06 -0.13 0.00 0.14 0.00 0.00 62.40 62.40 1wh2 h SER 73 CO 0.00 1.21 -0.28 -0.83 -1.14 0.00 0.00 176.83 175.79 1wh2 s GLY 74 N -4.37 0.03 -1.29 -3.77 0.00 -0.99 -5.08 107.32 91.85 1wh2 s GLY 74 Ca -0.18 -0.49 -0.19 0.00 0.00 0.00 0.00 44.72 43.87 1wh2 s GLY 74 CO 0.74 -0.66 1.79 -1.55 0.00 0.00 0.00 173.10 173.42 1wh2 n PRO 75 N -0.13 2.93 -2.10 2.90 -0.04 -1.26 -4.02 135.00 133.27 1wh2 n PRO 75 Ca -0.14 -3.11 -0.02 0.00 -0.04 0.00 0.00 63.50 60.18 1wh2 n PRO 75 Cb 0.63 -3.52 -0.02 0.00 -0.04 0.00 0.00 33.50 30.55 1wh2 n PRO 75 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wh2 n SER 76 N 9.19 -4.29 -4.54 3.54 2.88 -1.26 -4.94 113.62 114.20 1wh2 n SER 76 Ca 0.49 1.15 -0.41 0.00 -1.33 0.00 0.00 58.87 58.77 1wh2 n SER 76 Cb 0.46 -4.01 0.01 0.00 -0.75 0.00 0.00 64.21 59.92 1wh2 n SER 76 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wh2 n SER 77 N 1.26 0.25 0.00 -3.46 7.64 -1.26 -5.10 113.62 112.95 1wh2 n SER 77 Ca -0.14 0.95 0.00 0.00 1.01 0.00 0.00 58.87 60.69 1wh2 n SER 77 Cb 0.22 -1.25 0.00 0.00 -1.01 0.00 0.00 64.21 62.17 1wh2 n SER 77 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64