#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 1.03 0.83 1.61 0.01 -1.26 -5.11 113.70 110.81 1wh2 s SER 2 Ca 0.00 0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.27 1wh2 s SER 2 Cb 0.00 -0.23 0.00 0.00 0.21 0.00 0.00 66.02 66.00 1wh2 s SER 2 CO 0.00 -0.20 0.00 -1.20 0.41 0.00 0.00 173.24 172.25 1wh2 n SER 3 N 4.95 -5.94 0.00 2.44 7.64 -1.26 -4.83 113.62 116.61 1wh2 n SER 3 Ca -0.11 0.23 0.00 0.00 1.01 0.00 0.00 58.87 60.01 1wh2 n SER 3 Cb 0.50 -0.66 0.00 0.00 -1.01 0.00 0.00 64.21 63.04 1wh2 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wh2 n GLY 4 N -0.64 1.34 1.37 0.23 0.00 -1.26 -4.92 105.19 101.31 1wh2 n GLY 4 Ca 0.00 0.52 0.18 0.00 0.00 0.00 0.00 46.02 46.72 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 8.68 -8.06 -1.23 1.61 7.64 -1.26 -4.84 113.62 116.17 1wh2 n SER 5 Ca 0.00 0.66 -0.13 0.00 1.01 0.00 0.00 58.87 60.42 1wh2 n SER 5 Cb 0.00 -4.24 -0.05 0.00 -1.01 0.00 0.00 64.21 58.91 1wh2 n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wh2 n SER 6 N -4.32 -3.91 0.00 6.43 2.88 -1.26 -4.14 113.62 109.30 1wh2 n SER 6 Ca -0.00 0.31 0.00 0.00 -1.33 0.00 0.00 58.87 57.85 1wh2 n SER 6 Cb 0.66 -3.43 0.00 0.00 -0.75 0.00 0.00 64.21 60.69 1wh2 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wh2 n GLY 7 N -0.14 0.79 1.03 0.46 0.00 -1.26 -5.17 105.19 100.90 1wh2 n GLY 7 Ca -0.13 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 43.90 1wh2 n GLY 7 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1wh2 n VAL 8 N 5.79 -3.68 -3.99 1.61 0.31 -1.26 -4.97 118.33 112.15 1wh2 n VAL 8 Ca 0.00 1.49 -0.10 0.00 -0.01 0.00 0.00 64.34 65.72 1wh2 n VAL 8 Cb 0.00 -2.27 -0.07 0.00 -0.91 0.00 0.00 33.84 30.59 1wh2 n VAL 8 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1wh2 s ARG 9 N -3.49 1.31 0.82 5.55 3.03 -1.26 -4.76 118.95 120.16 1wh2 s ARG 9 Ca 0.00 -1.24 -0.11 0.00 2.03 0.00 0.00 55.73 56.41 1wh2 s ARG 9 Cb 0.00 0.40 0.09 0.00 -1.03 0.00 0.00 34.95 34.41 1wh2 s ARG 9 CO 0.00 -0.50 1.09 0.14 -1.13 0.00 0.00 175.30 174.90 1wh2 s VAL 10 N -4.00 3.04 -0.32 4.99 -7.23 -1.26 -5.04 120.40 110.58 1wh2 s VAL 10 Ca 0.21 0.34 0.04 0.00 -1.81 0.00 0.00 61.98 60.76 1wh2 s VAL 10 Cb 0.02 -2.79 0.09 0.00 0.56 0.00 0.00 36.38 34.26 1wh2 s VAL 10 CO 0.04 -0.44 0.02 -0.76 -0.31 0.00 0.00 175.10 173.65 1wh2 s LEU 11 N -6.06 4.35 0.19 1.32 1.43 -1.26 -5.11 118.68 113.54 1wh2 s LEU 11 Ca 0.62 -1.96 0.10 0.00 -1.03 0.00 0.00 54.13 51.85 1wh2 s LEU 11 Cb -0.18 -1.57 -0.04 0.00 0.03 0.00 0.00 46.19 44.43 1wh2 s LEU 11 CO 0.56 -0.34 -0.13 -0.44 0.23 0.00 0.00 176.35 176.24 1wh2 s SER 12 N 0.98 4.07 -0.48 2.29 0.01 -1.26 -5.11 113.70 114.20 1wh2 s SER 12 Ca 0.07 -0.66 -0.13 0.00 1.31 0.00 0.00 55.95 56.54 1wh2 s SER 12 Cb -0.19 -0.61 0.10 0.00 0.21 0.00 0.00 66.02 65.53 1wh2 s SER 12 CO -0.08 0.10 0.39 -0.31 0.41 0.00 0.00 173.24 173.75 1wh2 s TYR 13 N -1.75 3.30 -0.11 2.43 1.51 -1.26 -5.05 117.35 116.42 1wh2 s TYR 13 Ca 0.24 -1.34 -0.30 0.00 -1.01 0.00 0.00 57.07 54.67 1wh2 s TYR 13 Cb -0.08 -3.37 -0.02 0.00 -0.11 0.00 0.00 41.96 38.38 1wh2 s TYR 13 CO 0.14 -0.91 1.12 -0.51 -1.11 0.00 0.00 175.55 174.28 1wh2 s ASP 14 N 2.80 7.11 0.04 2.29 1.01 -1.26 -4.93 116.67 123.73 1wh2 s ASP 14 Ca 0.04 1.64 0.22 0.00 0.71 0.00 0.00 52.55 55.16 1wh2 s ASP 14 Cb -0.26 -2.55 -0.06 0.00 1.01 0.00 0.00 42.92 41.06 1wh2 s ASP 14 CO 0.03 -0.57 0.91 2.29 0.21 0.00 0.00 175.17 178.04 1wh2 n LYS 15 N 5.49 0.35 -0.13 8.23 2.85 -1.26 -3.70 118.16 130.00 1wh2 n LYS 15 Ca 0.11 -0.03 -0.28 0.00 -1.05 0.00 0.00 58.31 57.06 1wh2 n LYS 15 Cb 0.47 -1.59 -0.09 0.00 -0.65 0.00 0.00 35.03 33.17 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 -2.03 0.56 -1.35 -1.58 1.02 -1.26 -1.92 120.64 114.09 1wh2 n GLU 16 Ca 0.01 0.25 -0.31 0.00 -0.02 0.00 0.00 57.16 57.09 1wh2 n GLU 16 Cb 0.46 -1.45 0.09 0.00 -0.02 0.00 0.00 31.44 30.52 1wh2 n GLU 16 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1wh2 s LYS 17 N -2.51 2.18 -0.65 3.49 -2.85 -1.26 -4.64 119.74 113.50 1wh2 s LYS 17 Ca -0.37 0.99 -0.25 0.00 -1.00 0.00 0.00 55.97 55.34 1wh2 s LYS 17 Cb 0.14 -1.90 0.05 0.00 -2.06 0.00 0.00 37.83 34.05 1wh2 s LYS 17 CO 0.47 -1.65 1.08 -0.51 0.10 0.00 0.00 175.35 174.84 1wh2 s LEU 18 N -5.89 3.82 0.00 2.77 1.43 -1.26 -3.77 118.68 115.79 1wh2 s LEU 18 Ca 0.61 -0.53 0.00 0.00 -1.03 0.00 0.00 54.13 53.18 1wh2 s LEU 18 Cb -0.16 -2.66 0.00 0.00 0.03 0.00 0.00 46.19 43.40 1wh2 s LEU 18 CO 0.56 -1.52 0.22 -3.20 0.23 0.00 0.00 176.35 172.64 1wh2 n ASN 19 N 8.25 0.40 -4.06 2.29 2.85 -0.65 -4.69 115.26 119.65 1wh2 n ASN 19 Ca 0.01 -1.02 -0.31 0.00 -0.11 0.00 0.00 54.58 53.15 1wh2 n ASN 19 Cb 0.47 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.33 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 -0.02 2.44 0.44 1.20 0.52 -0.43 -1.77 118.94 121.32 1wh2 s TRP 20 Ca 0.00 -1.43 0.01 0.00 0.02 0.00 0.00 56.10 54.70 1wh2 s TRP 20 Cb 0.00 -1.73 -0.00 0.00 -1.15 0.00 0.00 33.47 30.58 1wh2 s TRP 20 CO 0.00 -0.73 0.66 -0.51 0.02 0.00 0.00 176.95 176.38 1wh2 s LEU 21 N 1.40 3.67 0.13 2.99 1.43 0.43 -0.49 118.68 128.24 1wh2 s LEU 21 Ca 0.04 0.26 -0.13 0.00 -1.03 0.00 0.00 54.13 53.28 1wh2 s LEU 21 Cb -0.13 -3.14 0.01 0.00 0.03 0.00 0.00 46.19 42.96 1wh2 s LEU 21 CO -0.11 -0.68 0.33 -0.72 0.23 0.00 0.00 176.35 175.39 1wh2 s TYR 22 N -2.53 0.03 -0.12 0.29 -0.85 -1.15 -2.20 117.35 110.82 1wh2 s TYR 22 Ca 0.48 -0.39 -0.06 0.00 -0.52 0.00 0.00 57.07 56.58 1wh2 s TYR 22 Cb -0.10 0.12 -0.04 0.00 0.38 0.00 0.00 41.96 42.32 1wh2 s TYR 22 CO 0.37 -0.68 0.11 0.21 -1.52 0.00 0.00 175.55 174.04 1wh2 s LYS 23 N -3.86 3.38 0.48 -3.49 2.20 -1.26 -0.64 119.74 116.55 1wh2 s LYS 23 Ca 0.07 -0.20 0.07 0.00 -0.36 0.00 0.00 55.97 55.54 1wh2 s LYS 23 Cb 0.03 -3.11 0.01 0.00 -1.51 0.00 0.00 37.83 33.25 1wh2 s LYS 23 CO -0.08 0.73 0.36 0.34 -0.36 0.00 0.00 175.35 176.34 1wh2 s ASP 24 N -0.90 4.73 -0.01 1.43 2.15 -1.10 -4.97 116.67 118.00 1wh2 s ASP 24 Ca 0.14 -1.06 -0.03 0.00 0.43 0.00 0.00 52.55 52.03 1wh2 s ASP 24 Cb -0.12 -0.03 -0.13 0.00 -0.30 0.00 0.00 42.92 42.34 1wh2 s ASP 24 CO 0.03 -0.88 2.81 -0.81 -0.17 0.00 0.00 175.17 176.15 1wh2 n PRO 25 N -1.62 1.52 0.00 4.34 -0.04 -1.26 -1.58 135.00 136.36 1wh2 n PRO 25 Ca 0.00 -0.54 0.00 0.00 -0.04 0.00 0.00 63.50 62.93 1wh2 n PRO 25 Cb 0.64 -1.51 0.00 0.00 -0.04 0.00 0.00 33.50 32.58 1wh2 n PRO 25 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1wh2 n GLN 26 N 1.97 1.84 -1.07 0.54 1.13 -1.26 -5.03 117.38 115.49 1wh2 n GLN 26 Ca 0.22 0.00 -0.02 0.00 -1.94 0.00 0.00 57.00 55.26 1wh2 n GLN 26 Cb 0.71 -0.83 -0.01 0.00 0.11 0.00 0.00 30.24 30.22 1wh2 n GLN 26 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1wh2 n GLY 27 N 1.81 0.54 3.87 1.08 0.00 -0.61 -5.03 105.19 106.85 1wh2 n GLY 27 Ca 0.00 -0.27 -0.32 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.54 4.21 0.28 0.99 2.01 -1.26 -4.97 118.68 119.40 1wh2 s LEU 28 Ca 0.00 0.89 -0.28 0.00 0.01 0.00 0.00 54.13 54.74 1wh2 s LEU 28 Cb 0.00 -3.55 -0.09 0.00 0.01 0.00 0.00 46.19 42.55 1wh2 s LEU 28 CO 0.00 -0.03 0.97 -0.69 1.01 0.00 0.00 176.35 177.61 1wh2 s VAL 29 N -1.74 4.01 0.37 -1.59 1.01 -1.26 -2.70 120.40 118.49 1wh2 s VAL 29 Ca 0.45 1.88 0.09 0.00 0.00 0.00 0.00 61.98 64.40 1wh2 s VAL 29 Cb -0.12 -4.14 -0.07 0.00 0.00 0.00 0.00 36.38 32.05 1wh2 s VAL 29 CO 0.21 0.34 -0.02 -1.10 0.00 0.00 0.00 175.10 174.53 1wh2 s GLN 30 N -1.56 1.95 1.21 2.72 -1.52 0.19 -4.99 119.66 117.66 1wh2 s GLN 30 Ca 0.45 -1.93 0.00 0.00 -1.95 0.00 0.00 55.36 51.93 1wh2 s GLN 30 Cb -0.24 -1.76 0.00 0.00 -0.22 0.00 0.00 33.01 30.78 1wh2 s GLN 30 CO 0.30 0.07 0.00 0.41 -0.25 0.00 0.00 175.29 175.82 1wh2 n GLY 31 N -0.91 -1.75 3.85 3.09 0.00 -1.26 -2.93 105.19 105.28 1wh2 n GLY 31 Ca -0.04 -1.53 -0.29 0.00 0.00 0.00 0.00 46.02 44.15 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 1.86 0.12 1.61 0.04 -1.26 -5.01 135.00 132.36 1wh2 s PRO 32 Ca 0.00 0.29 0.02 0.00 0.04 0.00 0.00 61.00 61.35 1wh2 s PRO 32 Cb 0.00 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.57 1wh2 s PRO 32 CO 0.00 -1.70 -0.06 -0.06 0.04 0.00 0.00 177.00 175.22 1wh2 s PHE 33 N -3.39 0.98 0.31 0.56 0.08 0.36 -4.83 117.98 112.04 1wh2 s PHE 33 Ca 0.62 -0.92 -0.04 0.00 0.12 0.00 0.00 56.93 56.70 1wh2 s PHE 33 Cb -0.13 -0.56 -0.05 0.00 -0.57 0.00 0.00 43.02 41.72 1wh2 s PHE 33 CO 0.51 -0.14 0.56 -1.54 -0.10 0.00 0.00 175.22 174.51 1wh2 s SER 34 N -3.08 6.41 0.47 1.36 1.04 -1.25 -1.32 113.70 117.34 1wh2 s SER 34 Ca 0.14 0.68 0.20 0.00 0.48 0.00 0.00 55.95 57.46 1wh2 s SER 34 Cb 0.05 -2.13 1.14 0.00 0.10 0.00 0.00 66.02 65.18 1wh2 s SER 34 CO -0.03 -0.23 1.99 -0.07 0.98 0.00 0.00 173.24 175.88 1wh2 h LEU 35 N 1.47 0.00 -0.15 2.42 3.38 -1.63 -1.33 115.31 119.48 1wh2 h LEU 35 Ca -0.48 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.48 1wh2 h LEU 35 Cb 1.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 1wh2 h LEU 35 CO 0.65 0.20 0.06 0.74 0.09 0.00 0.00 178.44 180.18 1wh2 h THR 36 N 0.00 1.15 0.05 0.22 2.02 -1.70 -0.57 112.91 114.07 1wh2 h THR 36 Ca -0.00 -0.43 -0.00 0.00 0.77 0.00 0.00 66.41 66.74 1wh2 h THR 36 Cb 0.41 1.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.98 1wh2 h THR 36 CO 0.03 0.14 -0.02 1.56 0.37 0.00 0.00 175.52 177.59 1wh2 h GLN 37 N 0.10 -0.06 -0.59 6.66 4.20 -1.70 -2.24 115.11 121.48 1wh2 h GLN 37 Ca 0.05 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.73 1wh2 h GLN 37 Cb 0.16 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.92 1wh2 h GLN 37 CO -0.00 -0.04 0.22 -0.07 -0.67 0.00 0.00 178.83 178.26 1wh2 h LEU 38 N -0.06 0.84 -0.09 1.46 3.38 -1.15 -0.07 115.31 119.61 1wh2 h LEU 38 Ca -0.01 -0.18 0.04 0.00 0.09 0.00 0.00 57.88 57.82 1wh2 h LEU 38 Cb 0.05 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.53 1wh2 h LEU 38 CO 0.01 0.79 -0.19 0.50 0.09 0.00 0.00 178.44 179.64 1wh2 h LYS 39 N 0.83 -0.25 -0.30 1.13 3.64 -1.09 -0.65 116.57 119.88 1wh2 h LYS 39 Ca 0.20 0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.53 1wh2 h LYS 39 Cb 0.23 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 1wh2 h LYS 39 CO -0.01 -0.17 -0.09 0.00 -2.27 0.00 0.00 179.45 176.90 1wh2 h ALA 40 N 0.71 1.28 0.04 5.00 0.00 -0.80 -1.13 119.26 124.35 1wh2 h ALA 40 Ca 0.08 -0.25 -0.23 0.00 0.00 0.00 0.00 54.91 54.51 1wh2 h ALA 40 Cb 0.38 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1wh2 h ALA 40 CO -0.24 0.48 -1.00 -1.49 0.00 0.00 0.00 179.25 177.00 1wh2 h TRP 41 N 0.47 0.44 -0.42 0.00 6.55 -0.89 -0.68 115.95 121.42 1wh2 h TRP 41 Ca 0.09 -0.27 0.01 0.00 0.95 0.00 0.00 58.89 59.68 1wh2 h TRP 41 Cb 0.45 -0.04 -0.02 0.00 -0.86 0.00 0.00 29.16 28.69 1wh2 h TRP 41 CO 0.01 1.12 0.26 1.03 -1.05 0.00 0.00 178.44 179.81 1wh2 h SER 42 N 0.13 0.44 -0.31 -3.49 0.87 -0.81 -0.52 113.55 109.86 1wh2 h SER 42 Ca -0.08 -0.00 0.04 0.00 -1.23 0.00 0.00 61.79 60.51 1wh2 h SER 42 Cb 1.67 -0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 63.49 1wh2 h SER 42 CO 0.16 0.32 0.09 0.44 -0.53 0.00 0.00 176.83 177.31 1wh2 h ASP 43 N 0.53 0.08 0.00 6.23 5.19 -1.10 -1.63 116.42 125.73 1wh2 h ASP 43 Ca 0.16 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.61 1wh2 h ASP 43 Cb -0.03 0.04 0.00 0.00 0.18 0.00 0.00 39.33 39.52 1wh2 h ASP 43 CO -0.06 0.08 0.00 0.00 -3.12 0.00 0.00 179.24 176.15 1wh2 n ALA 44 N -2.33 2.00 -3.55 3.45 0.00 -0.27 -4.86 120.51 114.95 1wh2 n ALA 44 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 1wh2 n ALA 44 Cb 0.12 -1.00 0.01 0.00 0.00 0.00 0.00 19.45 18.58 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 -0.37 -4.28 0.03 0.00 -0.58 -0.61 -4.87 120.64 109.96 1wh2 n GLU 45 Ca 0.00 0.57 -0.12 0.00 -0.42 0.00 0.00 57.16 57.19 1wh2 n GLU 45 Cb 0.02 -5.36 -0.00 0.00 -0.57 0.00 0.00 31.44 25.53 1wh2 n GLU 45 CO 0.00 0.00 0.00 1.88 -0.48 0.00 0.00 177.13 178.53 1wh2 h TYR 46 N -1.43 0.71 -4.21 -0.32 -1.99 -1.30 -3.49 116.97 104.95 1wh2 h TYR 46 Ca -0.50 -0.31 -0.07 0.00 2.00 0.00 0.00 58.73 59.85 1wh2 h TYR 46 Cb 1.33 -0.11 -0.01 0.00 2.00 0.00 0.00 36.73 39.95 1wh2 h TYR 46 CO 0.62 1.09 -0.03 1.19 -0.00 0.00 0.00 178.16 181.03 1wh2 n PHE 47 N -3.87 -1.34 -4.26 4.88 3.72 -1.25 -5.01 117.46 110.33 1wh2 n PHE 47 Ca -0.05 -0.27 -0.14 0.00 -0.05 0.00 0.00 57.45 56.93 1wh2 n PHE 47 Cb 0.72 -0.05 -0.10 0.00 -0.94 0.00 0.00 39.48 39.10 1wh2 n PHE 47 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1wh2 s THR 48 N -0.35 0.70 -1.18 4.37 -4.23 -1.26 -4.97 115.64 108.73 1wh2 s THR 48 Ca 0.03 -1.99 0.04 0.00 -1.18 0.00 0.00 61.69 58.59 1wh2 s THR 48 Cb -0.00 -2.20 0.05 0.00 1.34 0.00 0.00 72.50 71.68 1wh2 s THR 48 CO 0.02 -0.40 1.05 0.29 -0.54 0.00 0.00 174.62 175.04 1wh2 n LYS 49 N -0.29 0.02 -0.48 3.99 4.76 -1.26 -2.33 118.16 122.57 1wh2 n LYS 49 Ca -0.06 0.36 0.06 0.00 -2.87 0.00 0.00 58.31 55.81 1wh2 n LYS 49 Cb 0.64 -1.50 0.12 0.00 -1.84 0.00 0.00 35.03 32.44 1wh2 n LYS 49 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1wh2 n GLN 50 N -1.41 0.97 -2.93 1.97 6.02 -1.26 -4.94 117.38 115.79 1wh2 n GLN 50 Ca 0.01 -2.42 -0.38 0.00 -0.01 0.00 0.00 57.00 54.20 1wh2 n GLN 50 Cb 0.04 -1.16 -0.06 0.00 1.02 0.00 0.00 30.24 30.08 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 -2.08 3.79 0.15 1.08 2.19 -0.98 -5.03 117.98 117.10 1wh2 s PHE 51 Ca 0.28 1.64 0.05 0.00 0.33 0.00 0.00 56.93 59.23 1wh2 s PHE 51 Cb 0.27 -2.79 -0.04 0.00 -1.31 0.00 0.00 43.02 39.14 1wh2 s PHE 51 CO -0.03 0.38 -0.10 1.03 1.83 0.00 0.00 175.22 178.33 1wh2 s ARG 52 N -1.61 1.09 0.02 10.12 3.00 -1.26 -1.68 118.95 128.63 1wh2 s ARG 52 Ca 0.42 -1.47 -0.01 0.00 0.00 0.00 0.00 55.73 54.68 1wh2 s ARG 52 Cb -0.21 -0.67 -0.02 0.00 0.00 0.00 0.00 34.95 34.06 1wh2 s ARG 52 CO 0.25 0.08 -0.02 0.14 0.00 0.00 0.00 175.30 175.76 1wh2 s VAL 53 N -3.30 0.11 0.14 3.52 -7.23 -0.15 -4.67 120.40 108.83 1wh2 s VAL 53 Ca 0.17 -0.90 0.05 0.00 -1.81 0.00 0.00 61.98 59.49 1wh2 s VAL 53 Cb 0.02 -0.28 -0.04 0.00 0.56 0.00 0.00 36.38 36.64 1wh2 s VAL 53 CO 0.01 -0.49 -0.11 -1.66 -0.31 0.00 0.00 175.10 172.54 1wh2 s TRP 54 N -1.46 1.27 0.62 2.82 -2.14 -0.94 -1.03 118.94 118.08 1wh2 s TRP 54 Ca -0.16 -0.73 -0.13 0.00 2.66 0.00 0.00 56.10 57.74 1wh2 s TRP 54 Cb -0.10 -0.65 -0.03 0.00 -3.10 0.00 0.00 33.47 29.59 1wh2 s TRP 54 CO -0.01 0.09 1.04 -1.64 -2.66 0.00 0.00 176.95 173.76 1wh2 s MET 55 N -3.59 3.41 0.00 3.25 -1.94 -1.26 -0.43 119.30 118.74 1wh2 s MET 55 Ca 0.15 0.95 -0.30 0.00 -1.71 0.00 0.00 55.69 54.78 1wh2 s MET 55 Cb 0.02 -2.05 -0.08 0.00 2.01 0.00 0.00 34.83 34.72 1wh2 s MET 55 CO 0.01 -0.72 1.94 0.95 -0.01 0.00 0.00 175.02 177.19 1wh2 s THR 56 N -2.88 3.10 0.00 2.05 -4.23 -0.73 -1.57 115.64 111.39 1wh2 s THR 56 Ca 0.58 0.12 0.00 0.00 -1.18 0.00 0.00 61.69 61.21 1wh2 s THR 56 Cb -0.13 -3.08 0.00 0.00 1.34 0.00 0.00 72.50 70.63 1wh2 s THR 56 CO 0.46 -0.01 0.00 0.61 -0.54 0.00 0.00 174.62 175.14 1wh2 n GLY 57 N 4.58 1.35 3.88 3.99 0.00 -1.26 -5.06 105.19 112.68 1wh2 n GLY 57 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.57 2.73 0.41 1.61 0.41 -0.61 -5.06 118.70 117.62 1wh2 s GLU 58 Ca 0.00 0.43 -0.15 0.00 -0.41 0.00 0.00 54.97 54.84 1wh2 s GLU 58 Cb 0.00 -2.01 -0.08 0.00 -1.78 0.00 0.00 34.13 30.26 1wh2 s GLU 58 CO 0.00 -1.12 0.84 0.45 -0.49 0.00 0.00 175.26 174.94 1wh2 s SER 59 N -4.37 6.71 0.53 -0.19 0.15 -1.26 -4.85 113.70 110.41 1wh2 s SER 59 Ca 0.59 1.38 0.20 0.00 0.70 0.00 0.00 55.95 58.82 1wh2 s SER 59 Cb -0.11 -2.42 1.38 0.00 -1.71 0.00 0.00 66.02 63.16 1wh2 s SER 59 CO 0.52 -0.37 2.15 -0.03 1.20 0.00 0.00 173.24 176.71 1wh2 h MET 60 N 1.64 0.00 0.00 5.44 4.05 -1.97 -0.89 114.93 123.21 1wh2 h MET 60 Ca -0.48 0.00 -0.06 0.00 -0.28 0.00 0.00 59.70 58.88 1wh2 h MET 60 Cb 1.18 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.97 1wh2 h MET 60 CO 0.63 0.04 -0.28 0.93 0.23 0.00 0.00 176.91 178.46 1wh2 h GLU 61 N 0.00 0.00 0.00 0.39 3.07 -2.00 0.02 114.58 116.06 1wh2 h GLU 61 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1wh2 h GLU 61 Cb 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.98 1wh2 h GLU 61 CO 0.00 0.28 0.00 0.45 -1.40 0.00 0.00 179.01 178.35 1wh2 n SER 62 N -4.18 0.00 -4.76 1.42 2.88 -0.34 -4.85 113.62 103.79 1wh2 n SER 62 Ca -0.02 -0.94 -0.37 0.00 -1.33 0.00 0.00 58.87 56.20 1wh2 n SER 62 Cb 0.33 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.81 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 -2.00 2.80 0.26 -1.46 0.00 -0.01 -4.79 121.76 116.55 1wh2 s ALA 63 Ca 0.29 1.07 0.09 0.00 0.00 0.00 0.00 51.96 53.41 1wh2 s ALA 63 Cb 0.13 -3.46 -0.05 0.00 0.00 0.00 0.00 23.12 19.74 1wh2 s ALA 63 CO 0.22 -1.02 -0.13 0.14 0.00 0.00 0.00 175.76 174.98 1wh2 s VAL 64 N -1.49 1.95 0.04 0.00 -7.23 -0.19 -4.86 120.40 108.61 1wh2 s VAL 64 Ca 0.70 -2.24 -0.30 0.00 -1.81 0.00 0.00 61.98 58.34 1wh2 s VAL 64 Cb -0.32 -2.28 -0.09 0.00 0.56 0.00 0.00 36.38 34.25 1wh2 s VAL 64 CO 0.38 -0.43 1.92 -0.76 -0.31 0.00 0.00 175.10 175.90 1wh2 s LEU 65 N -3.43 4.42 0.50 1.32 1.43 -1.26 -0.98 118.68 120.68 1wh2 s LEU 65 Ca 0.27 2.65 0.23 0.00 -1.03 0.00 0.00 54.13 56.25 1wh2 s LEU 65 Cb -0.00 -3.54 1.30 0.00 0.03 0.00 0.00 46.19 43.99 1wh2 s LEU 65 CO 0.11 -1.04 1.96 0.25 0.23 0.00 0.00 176.35 177.87 1wh2 h LEU 66 N 10.32 0.11 -1.70 1.79 5.85 -1.64 -0.64 115.31 129.40 1wh2 h LEU 66 Ca -0.48 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.22 1wh2 h LEU 66 Cb 1.23 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.24 1wh2 h LEU 66 CO 0.94 0.06 -0.12 0.71 -0.34 0.00 0.00 178.44 179.69 1wh2 h THR 67 N 0.12 0.42 0.12 1.05 1.35 -1.89 0.59 112.91 114.67 1wh2 h THR 67 Ca 0.30 -0.65 -0.34 0.00 -0.55 0.00 0.00 66.41 65.17 1wh2 h THR 67 Cb 1.03 1.46 -0.01 0.00 -1.73 0.00 0.00 68.15 68.90 1wh2 h THR 67 CO -0.04 0.12 -1.81 0.44 -0.25 0.00 0.00 175.52 173.98 1wh2 h ASP 68 N 0.00 0.40 -0.03 5.36 3.32 -1.51 -3.21 116.42 120.75 1wh2 h ASP 68 Ca -0.00 -0.73 -0.01 0.00 0.02 0.00 0.00 57.03 56.31 1wh2 h ASP 68 Cb 0.45 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.87 1wh2 h ASP 68 CO 0.02 1.64 0.00 0.58 -1.72 0.00 0.00 179.24 179.76 1wh2 h VAL 69 N 0.07 1.04 -0.22 -1.35 2.07 -1.11 0.14 116.25 116.89 1wh2 h VAL 69 Ca -0.35 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.01 1wh2 h VAL 69 Cb 2.04 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 32.79 1wh2 h VAL 69 CO 0.12 0.05 0.13 -0.07 0.02 0.00 0.00 177.57 177.82 1wh2 h LEU 70 N 0.09 0.27 -0.30 2.57 4.07 -1.00 -2.42 115.31 118.59 1wh2 h LEU 70 Ca 0.02 -0.07 -0.00 0.00 0.08 0.00 0.00 57.88 57.91 1wh2 h LEU 70 Cb 0.06 -0.07 -0.01 0.00 1.08 0.00 0.00 40.66 41.71 1wh2 h LEU 70 CO 0.00 0.26 0.18 -0.09 -1.08 0.00 0.00 178.44 177.71 1wh2 h ARG 71 N 0.26 0.41 0.00 1.13 2.43 -1.15 -3.06 114.38 114.40 1wh2 h ARG 71 Ca 0.08 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1wh2 h ARG 71 Cb 0.05 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.51 1wh2 h ARG 71 CO -0.01 0.32 0.00 1.28 -1.51 0.00 0.00 179.97 180.05 1wh2 n LEU 72 N -4.84 0.00 -3.31 3.80 4.77 0.33 -3.47 117.00 114.27 1wh2 n LEU 72 Ca -0.02 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.78 1wh2 n LEU 72 Cb 0.05 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.07 1wh2 n LEU 72 CO 0.35 0.00 -0.18 -0.55 -1.33 0.00 0.00 177.39 175.68 1wh2 s SER 73 N -1.99 1.12 0.13 -1.43 0.15 -0.93 -4.98 113.70 105.77 1wh2 s SER 73 Ca 0.23 -1.99 0.07 0.00 0.70 0.00 0.00 55.95 54.96 1wh2 s SER 73 Cb 0.10 0.40 -0.04 0.00 -1.71 0.00 0.00 66.02 64.77 1wh2 s SER 73 CO 0.18 -0.22 -0.04 -0.83 1.20 0.00 0.00 173.24 173.53 1wh2 s GLY 74 N 1.03 1.80 0.92 9.45 0.00 -1.23 -4.80 107.32 114.50 1wh2 s GLY 74 Ca 0.22 -1.26 -0.12 0.00 0.00 0.00 0.00 44.72 43.56 1wh2 s GLY 74 CO -0.06 -1.26 1.10 2.56 0.00 0.00 0.00 173.10 175.44 1wh2 s PRO 75 N -2.52 1.05 0.96 2.90 0.04 -1.26 -5.02 135.00 131.16 1wh2 s PRO 75 Ca 0.25 0.65 -0.11 0.00 0.04 0.00 0.00 61.00 61.82 1wh2 s PRO 75 Cb -0.11 -1.80 0.17 0.00 0.04 0.00 0.00 34.50 32.80 1wh2 s PRO 75 CO 0.17 -2.34 1.09 0.45 0.04 0.00 0.00 177.00 176.41 1wh2 s SER 76 N -3.54 2.77 0.61 6.66 0.15 -1.26 -4.61 113.70 114.48 1wh2 s SER 76 Ca 0.64 1.66 0.00 0.00 0.70 0.00 0.00 55.95 58.94 1wh2 s SER 76 Cb -0.17 -2.30 0.00 0.00 -1.71 0.00 0.00 66.02 61.84 1wh2 s SER 76 CO 0.56 -3.11 0.00 -0.24 1.20 0.00 0.00 173.24 171.66 1wh2 n SER 77 N -4.20 -2.14 0.00 5.45 2.88 -1.26 -5.32 113.62 109.02 1wh2 n SER 77 Ca 0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 1wh2 n SER 77 Cb 0.54 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.00 1wh2 n SER 77 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42