#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 -1.63 -3.65 1.61 7.64 -1.26 -5.14 113.62 111.20 1wh2 n SER 2 Ca 0.00 -1.91 -0.29 0.00 1.01 0.00 0.00 58.87 57.68 1wh2 n SER 2 Cb 0.00 2.65 -0.14 0.00 -1.01 0.00 0.00 64.21 65.71 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 -3.11 3.70 0.00 6.43 0.01 -1.26 -4.96 113.70 114.51 1wh2 s SER 3 Ca 0.19 -1.82 0.00 0.00 1.31 0.00 0.00 55.95 55.63 1wh2 s SER 3 Cb -0.03 -0.72 0.00 0.00 0.21 0.00 0.00 66.02 65.49 1wh2 s SER 3 CO 0.06 -0.38 0.00 0.61 0.41 0.00 0.00 173.24 173.94 1wh2 n GLY 4 N 4.58 1.99 3.27 3.44 0.00 -1.26 -4.93 105.19 112.29 1wh2 n GLY 4 Ca 0.01 -0.68 -0.18 0.00 0.00 0.00 0.00 46.02 45.17 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 1.92 -3.22 -4.51 1.61 7.64 -1.26 -4.68 113.62 111.13 1wh2 n SER 5 Ca 0.00 -0.58 -0.46 0.00 1.01 0.00 0.00 58.87 58.84 1wh2 n SER 5 Cb 0.00 -1.05 -0.06 0.00 -1.01 0.00 0.00 64.21 62.09 1wh2 n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wh2 n SER 6 N -1.34 2.39 0.00 6.43 7.64 -1.26 -4.40 113.62 123.08 1wh2 n SER 6 Ca -0.20 0.19 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1wh2 n SER 6 Cb 0.46 -1.38 0.00 0.00 -1.01 0.00 0.00 64.21 62.28 1wh2 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wh2 n GLY 7 N 6.24 -1.85 0.00 0.23 0.00 -1.26 -5.17 105.19 103.38 1wh2 n GLY 7 Ca 0.39 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.94 1wh2 n GLY 7 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1wh2 n VAL 8 N -1.10 0.00 -2.24 1.61 0.24 -1.26 -5.12 118.33 110.46 1wh2 n VAL 8 Ca 0.00 0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 61.90 1wh2 n VAL 8 Cb 0.00 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.35 1wh2 n VAL 8 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1wh2 s ARG 9 N 1.41 4.25 0.45 7.34 1.81 -1.26 -5.04 118.95 127.92 1wh2 s ARG 9 Ca 0.00 1.99 -0.21 0.00 -1.72 0.00 0.00 55.73 55.79 1wh2 s ARG 9 Cb 0.00 -2.91 -0.10 0.00 -0.45 0.00 0.00 34.95 31.49 1wh2 s ARG 9 CO 0.00 -0.20 0.99 0.54 -0.68 0.00 0.00 175.30 175.95 1wh2 s VAL 10 N -1.26 4.15 -0.05 3.52 0.11 -1.26 -5.08 120.40 120.53 1wh2 s VAL 10 Ca 0.52 1.34 -0.01 0.00 -2.93 0.00 0.00 61.98 60.91 1wh2 s VAL 10 Cb -0.35 -3.54 0.03 0.00 -1.53 0.00 0.00 36.38 30.99 1wh2 s VAL 10 CO 0.45 -0.28 0.01 -0.76 -3.33 0.00 0.00 175.10 171.19 1wh2 s LEU 11 N -3.29 0.73 0.16 2.54 1.43 -1.26 -5.15 118.68 113.85 1wh2 s LEU 11 Ca 0.64 -0.03 0.05 0.00 -1.03 0.00 0.00 54.13 53.76 1wh2 s LEU 11 Cb -0.12 -0.30 -0.04 0.00 0.03 0.00 0.00 46.19 45.76 1wh2 s LEU 11 CO 0.16 -0.17 -0.11 -0.55 0.23 0.00 0.00 176.35 175.91 1wh2 s SER 12 N 1.62 1.94 -0.52 2.29 0.15 -1.26 -5.11 113.70 112.81 1wh2 s SER 12 Ca -0.01 -1.00 -0.15 0.00 0.70 0.00 0.00 55.95 55.49 1wh2 s SER 12 Cb -0.13 -0.04 0.12 0.00 -1.71 0.00 0.00 66.02 64.26 1wh2 s SER 12 CO -0.03 -0.29 0.46 -0.31 1.20 0.00 0.00 173.24 174.27 1wh2 s TYR 13 N -3.20 3.27 -0.22 3.44 1.51 -1.26 -5.05 117.35 115.84 1wh2 s TYR 13 Ca 0.17 -1.28 -0.06 0.00 -1.01 0.00 0.00 57.07 54.88 1wh2 s TYR 13 Cb 0.02 -3.64 -0.03 0.00 -0.11 0.00 0.00 41.96 38.20 1wh2 s TYR 13 CO 0.02 -0.97 0.04 -0.51 -1.11 0.00 0.00 175.55 173.02 1wh2 s ASP 14 N 3.29 5.10 0.00 2.29 1.11 -1.26 -4.99 116.67 122.20 1wh2 s ASP 14 Ca 0.03 -0.16 0.21 0.00 0.18 0.00 0.00 52.55 52.82 1wh2 s ASP 14 Cb -0.28 -1.89 0.58 0.00 1.07 0.00 0.00 42.92 42.39 1wh2 s ASP 14 CO 0.03 0.04 1.48 2.29 1.18 0.00 0.00 175.17 180.19 1wh2 n LYS 15 N 4.45 2.71 0.00 8.23 2.85 -1.26 -4.24 118.16 130.90 1wh2 n LYS 15 Ca -0.17 -2.54 0.00 0.00 -1.05 0.00 0.00 58.31 54.56 1wh2 n LYS 15 Cb 0.52 -1.52 0.00 0.00 -0.65 0.00 0.00 35.03 33.37 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 1.48 0.00 -1.93 -1.58 -0.58 -1.26 -4.02 120.64 112.76 1wh2 n GLU 16 Ca 0.22 0.00 -0.39 0.00 -0.42 0.00 0.00 57.16 56.57 1wh2 n GLU 16 Cb 0.59 -0.37 0.01 0.00 -0.57 0.00 0.00 31.44 31.10 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 -0.75 3.64 -0.03 3.49 -2.85 -1.26 -4.69 119.74 117.29 1wh2 s LYS 17 Ca 0.00 2.21 -0.30 0.00 -1.00 0.00 0.00 55.97 56.88 1wh2 s LYS 17 Cb 0.00 -2.55 -0.06 0.00 -2.06 0.00 0.00 37.83 33.15 1wh2 s LYS 17 CO 0.00 -0.78 1.72 -0.51 0.10 0.00 0.00 175.35 175.87 1wh2 s LEU 18 N -2.88 4.35 0.00 2.77 2.01 -1.26 -4.33 118.68 119.34 1wh2 s LEU 18 Ca 0.63 2.34 0.00 0.00 0.01 0.00 0.00 54.13 57.10 1wh2 s LEU 18 Cb -0.39 -3.53 0.00 0.00 0.01 0.00 0.00 46.19 42.27 1wh2 s LEU 18 CO 0.49 -0.95 0.16 -3.20 1.01 0.00 0.00 176.35 173.86 1wh2 n ASN 19 N 7.12 0.00 -4.11 2.29 5.15 -0.47 -4.76 115.26 120.48 1wh2 n ASN 19 Ca 0.18 -1.00 -0.29 0.00 -0.60 0.00 0.00 54.58 52.87 1wh2 n ASN 19 Cb 0.42 0.00 -0.17 0.00 -0.53 0.00 0.00 39.78 39.51 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 0.00 2.07 0.24 1.20 0.52 -0.92 -1.67 118.94 120.38 1wh2 s TRP 20 Ca 0.00 -0.90 0.05 0.00 0.02 0.00 0.00 56.10 55.27 1wh2 s TRP 20 Cb 0.00 -1.45 -0.03 0.00 -1.15 0.00 0.00 33.47 30.84 1wh2 s TRP 20 CO 0.00 -0.42 0.33 -0.51 0.02 0.00 0.00 176.95 176.37 1wh2 s LEU 21 N 0.70 4.23 0.21 2.99 1.43 0.75 -0.45 118.68 128.55 1wh2 s LEU 21 Ca -0.12 0.02 -0.17 0.00 -1.03 0.00 0.00 54.13 52.82 1wh2 s LEU 21 Cb -0.16 -2.77 0.02 0.00 0.03 0.00 0.00 46.19 43.31 1wh2 s LEU 21 CO 0.03 -0.06 0.54 -0.72 0.23 0.00 0.00 176.35 176.36 1wh2 s TYR 22 N -2.00 -0.03 -0.21 0.29 -0.85 -1.18 -1.63 117.35 111.74 1wh2 s TYR 22 Ca 0.34 -0.33 -0.08 0.00 -0.52 0.00 0.00 57.07 56.48 1wh2 s TYR 22 Cb -0.09 0.39 -0.04 0.00 0.38 0.00 0.00 41.96 42.60 1wh2 s TYR 22 CO 0.28 -0.97 0.08 0.21 -1.52 0.00 0.00 175.55 173.63 1wh2 s LYS 23 N -3.91 3.91 0.70 -3.49 2.20 -1.26 -0.82 119.74 117.07 1wh2 s LYS 23 Ca 0.12 -0.37 -0.07 0.00 -0.36 0.00 0.00 55.97 55.29 1wh2 s LYS 23 Cb -0.01 -3.28 0.06 0.00 -1.51 0.00 0.00 37.83 33.08 1wh2 s LYS 23 CO 0.01 0.13 1.01 0.34 -0.36 0.00 0.00 175.35 176.48 1wh2 s ASP 24 N 0.77 4.90 0.61 1.43 2.15 -0.49 -4.94 116.67 121.10 1wh2 s ASP 24 Ca 0.04 0.51 0.28 0.00 0.43 0.00 0.00 52.55 53.81 1wh2 s ASP 24 Cb -0.13 -1.19 1.46 0.00 -0.30 0.00 0.00 42.92 42.76 1wh2 s ASP 24 CO 0.02 -1.55 1.87 -0.65 -0.17 0.00 0.00 175.17 174.69 1wh2 h PRO 25 N -0.57 0.00 0.00 4.34 0.11 -2.00 0.32 132.00 134.20 1wh2 h PRO 25 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1wh2 h PRO 25 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1wh2 h PRO 25 CO 0.61 0.00 0.00 1.96 -0.21 0.00 0.00 178.00 180.36 1wh2 h GLN 26 N 0.00 0.00 0.00 1.05 7.50 -2.04 -3.46 115.11 118.16 1wh2 h GLN 26 Ca 0.17 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.32 1wh2 h GLN 26 Cb 1.13 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.66 1wh2 h GLN 26 CO -0.00 0.00 0.00 0.41 -1.50 0.00 0.00 178.83 177.74 1wh2 n GLY 27 N -0.47 1.87 3.73 3.46 0.00 0.10 -5.04 105.19 108.84 1wh2 n GLY 27 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 4.45 0.24 0.99 2.01 -1.26 -4.82 118.68 120.29 1wh2 s LEU 28 Ca 0.00 2.17 -0.30 0.00 0.01 0.00 0.00 54.13 56.01 1wh2 s LEU 28 Cb 0.00 -3.60 -0.09 0.00 0.01 0.00 0.00 46.19 42.51 1wh2 s LEU 28 CO 0.00 -0.35 1.27 -0.69 1.01 0.00 0.00 176.35 177.59 1wh2 s VAL 29 N 0.06 3.16 0.30 -1.59 1.01 -1.26 -1.39 120.40 120.69 1wh2 s VAL 29 Ca 0.53 1.03 0.10 0.00 0.00 0.00 0.00 61.98 63.65 1wh2 s VAL 29 Cb -0.31 -3.66 -0.05 0.00 0.00 0.00 0.00 36.38 32.35 1wh2 s VAL 29 CO 0.35 0.19 -0.08 -1.10 0.00 0.00 0.00 175.10 174.46 1wh2 s GLN 30 N -0.73 1.94 0.00 2.72 -1.52 0.00 -4.94 119.66 117.13 1wh2 s GLN 30 Ca 0.53 -1.71 0.00 0.00 -1.95 0.00 0.00 55.36 52.23 1wh2 s GLN 30 Cb -0.36 -1.89 0.00 0.00 -0.22 0.00 0.00 33.01 30.54 1wh2 s GLN 30 CO 0.42 0.26 0.00 0.41 -0.25 0.00 0.00 175.29 176.13 1wh2 n GLY 31 N -0.80 -1.05 3.81 3.09 0.00 -1.26 -3.12 105.19 105.87 1wh2 n GLY 31 Ca -0.05 -2.13 -0.29 0.00 0.00 0.00 0.00 46.02 43.55 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 1.13 0.22 1.61 0.04 -1.26 -5.02 135.00 131.71 1wh2 s PRO 32 Ca 0.00 0.17 0.01 0.00 0.04 0.00 0.00 61.00 61.23 1wh2 s PRO 32 Cb 0.00 -1.85 -0.05 0.00 0.04 0.00 0.00 34.50 32.64 1wh2 s PRO 32 CO 0.00 -2.18 0.06 -0.06 0.04 0.00 0.00 177.00 174.86 1wh2 s PHE 33 N -3.38 1.38 0.44 0.56 0.08 0.40 -4.79 117.98 112.67 1wh2 s PHE 33 Ca 0.65 -1.13 -0.07 0.00 0.12 0.00 0.00 56.93 56.50 1wh2 s PHE 33 Cb -0.13 -0.79 -0.05 0.00 -0.57 0.00 0.00 43.02 41.48 1wh2 s PHE 33 CO 0.53 -0.30 0.76 -1.54 -0.10 0.00 0.00 175.22 174.56 1wh2 s SER 34 N -3.25 6.38 0.36 1.36 1.04 -1.26 -1.36 113.70 116.96 1wh2 s SER 34 Ca 0.32 0.99 0.04 0.00 0.48 0.00 0.00 55.95 57.78 1wh2 s SER 34 Cb 0.07 -2.27 0.68 0.00 0.10 0.00 0.00 66.02 64.60 1wh2 s SER 34 CO 0.10 -0.48 1.99 -0.07 0.98 0.00 0.00 173.24 175.76 1wh2 h LEU 35 N 0.74 0.70 -0.21 2.42 3.38 -1.77 -1.60 115.31 118.97 1wh2 h LEU 35 Ca -0.47 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.47 1wh2 h LEU 35 Cb 1.20 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 1wh2 h LEU 35 CO 0.63 0.48 0.03 0.74 0.09 0.00 0.00 178.44 180.41 1wh2 h THR 36 N 0.81 1.23 -0.34 0.22 2.02 -1.91 0.12 112.91 115.06 1wh2 h THR 36 Ca 0.27 -0.75 -0.01 0.00 0.77 0.00 0.00 66.41 66.68 1wh2 h THR 36 Cb 0.05 1.32 -0.02 0.00 -1.74 0.00 0.00 68.15 67.77 1wh2 h THR 36 CO -0.07 0.23 0.16 1.56 0.37 0.00 0.00 175.52 177.77 1wh2 h GLN 37 N 0.14 0.49 -0.49 6.66 4.20 -1.79 -1.61 115.11 122.71 1wh2 h GLN 37 Ca 0.06 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.67 1wh2 h GLN 37 Cb 0.32 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 1wh2 h GLN 37 CO 0.00 0.45 0.20 -0.07 -0.67 0.00 0.00 178.83 178.74 1wh2 h LEU 38 N 0.41 0.67 -0.49 1.46 3.38 -1.25 -2.21 115.31 117.28 1wh2 h LEU 38 Ca 0.12 -0.17 0.06 0.00 0.09 0.00 0.00 57.88 57.98 1wh2 h LEU 38 Cb 0.13 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 1wh2 h LEU 38 CO -0.01 0.65 0.21 0.50 0.09 0.00 0.00 178.44 179.88 1wh2 h LYS 39 N 0.65 0.41 -0.19 1.13 3.64 -0.58 -0.84 116.57 120.79 1wh2 h LYS 39 Ca 0.16 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1wh2 h LYS 39 Cb 0.19 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 1wh2 h LYS 39 CO -0.01 0.27 0.11 0.00 -2.27 0.00 0.00 179.45 177.54 1wh2 h ALA 40 N 1.30 0.24 -0.67 5.00 0.00 -0.98 -0.93 119.26 123.22 1wh2 h ALA 40 Ca 0.23 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.12 1wh2 h ALA 40 Cb 0.19 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1wh2 h ALA 40 CO -0.20 -0.25 0.44 -1.49 0.00 0.00 0.00 179.25 177.76 1wh2 h TRP 41 N 0.22 0.79 -0.36 0.00 6.55 -1.10 -1.75 115.95 120.30 1wh2 h TRP 41 Ca 0.07 0.02 -0.02 0.00 0.95 0.00 0.00 58.89 59.91 1wh2 h TRP 41 Cb 0.04 -0.26 -0.02 0.00 -0.86 0.00 0.00 29.16 28.06 1wh2 h TRP 41 CO -0.05 0.47 0.16 1.03 -1.05 0.00 0.00 178.44 179.01 1wh2 h SER 42 N 0.83 0.48 1.20 -3.49 0.87 -0.56 -0.45 113.55 112.42 1wh2 h SER 42 Ca 0.26 -0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 1wh2 h SER 42 Cb 0.03 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 61.86 1wh2 h SER 42 CO -0.07 0.49 0.00 -0.67 -0.53 0.00 0.00 176.83 176.05 1wh2 n ASP 43 N -4.71 0.57 -1.07 6.23 -0.08 -0.41 -1.26 116.55 115.81 1wh2 n ASP 43 Ca -0.01 0.57 0.12 0.00 -1.51 0.00 0.00 54.79 53.96 1wh2 n ASP 43 Cb 0.12 -0.72 0.23 0.00 2.34 0.00 0.00 41.12 43.09 1wh2 n ASP 43 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1wh2 n ALA 44 N -1.71 2.44 -3.72 -1.67 0.00 -0.76 -5.01 120.51 110.08 1wh2 n ALA 44 Ca 0.05 -0.91 -0.24 0.00 0.00 0.00 0.00 53.44 52.34 1wh2 n ALA 44 Cb 0.37 -0.90 0.03 0.00 0.00 0.00 0.00 19.45 18.94 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 1.35 -3.74 -0.07 0.00 1.02 -0.39 -4.92 120.64 113.90 1wh2 n GLU 45 Ca 0.19 0.56 0.02 0.00 -0.02 0.00 0.00 57.16 57.90 1wh2 n GLU 45 Cb 0.58 -4.89 0.05 0.00 -0.02 0.00 0.00 31.44 27.16 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 -4.22 0.17 -3.19 -0.32 4.01 -0.24 -4.94 117.16 108.44 1wh2 n TYR 46 Ca -0.25 -0.08 0.00 0.00 -0.16 0.00 0.00 57.90 57.41 1wh2 n TYR 46 Cb 0.66 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.67 1wh2 n TYR 46 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1wh2 n PHE 47 N -0.13 0.00 -4.34 -0.72 3.72 -1.26 -5.01 117.46 109.72 1wh2 n PHE 47 Ca 0.04 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.26 1wh2 n PHE 47 Cb 0.14 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.58 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 0.37 1.42 -1.86 4.37 -4.23 -1.26 -5.04 115.64 109.41 1wh2 s THR 48 Ca 0.00 -2.12 0.11 0.00 -1.18 0.00 0.00 61.69 58.50 1wh2 s THR 48 Cb 0.00 -2.15 0.27 0.00 1.34 0.00 0.00 72.50 71.96 1wh2 s THR 48 CO 0.00 -0.51 1.11 0.29 -0.54 0.00 0.00 174.62 174.97 1wh2 n LYS 49 N -0.39 0.29 -2.69 3.99 4.76 -1.26 -2.79 118.16 120.07 1wh2 n LYS 49 Ca -0.07 0.05 -0.08 0.00 -2.87 0.00 0.00 58.31 55.34 1wh2 n LYS 49 Cb 0.62 -1.50 0.05 0.00 -1.84 0.00 0.00 35.03 32.36 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 -1.07 1.22 -2.96 1.97 6.02 -1.26 -5.12 117.38 116.17 1wh2 n GLN 50 Ca 0.07 -2.97 -0.40 0.00 -0.01 0.00 0.00 57.00 53.69 1wh2 n GLN 50 Cb 0.05 -1.02 -0.05 0.00 1.02 0.00 0.00 30.24 30.23 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 -2.51 3.79 0.20 1.08 5.36 -1.12 -5.04 117.98 119.74 1wh2 s PHE 51 Ca 0.26 1.55 0.04 0.00 -0.96 0.00 0.00 56.93 57.82 1wh2 s PHE 51 Cb 0.44 -2.82 -0.05 0.00 -0.34 0.00 0.00 43.02 40.24 1wh2 s PHE 51 CO 0.00 0.34 -0.05 1.03 -1.46 0.00 0.00 175.22 175.08 1wh2 s ARG 52 N -0.37 1.23 0.01 10.12 3.00 -1.26 -1.75 118.95 129.94 1wh2 s ARG 52 Ca 0.38 -1.58 -0.04 0.00 0.00 0.00 0.00 55.73 54.49 1wh2 s ARG 52 Cb -0.21 -0.67 -0.01 0.00 0.00 0.00 0.00 34.95 34.06 1wh2 s ARG 52 CO 0.24 -0.00 0.07 0.14 0.00 0.00 0.00 175.30 175.75 1wh2 s VAL 53 N -3.34 0.10 0.15 3.52 -7.23 -0.28 -4.74 120.40 108.58 1wh2 s VAL 53 Ca 0.23 -0.80 0.06 0.00 -1.81 0.00 0.00 61.98 59.66 1wh2 s VAL 53 Cb 0.04 -0.38 -0.04 0.00 0.56 0.00 0.00 36.38 36.56 1wh2 s VAL 53 CO 0.05 -0.44 -0.13 -1.66 -0.31 0.00 0.00 175.10 172.61 1wh2 s TRP 54 N -1.47 1.46 0.86 2.82 -2.14 -0.64 -0.74 118.94 119.09 1wh2 s TRP 54 Ca -0.15 -0.61 -0.12 0.00 2.66 0.00 0.00 56.10 57.88 1wh2 s TRP 54 Cb -0.08 -0.73 0.11 0.00 -3.10 0.00 0.00 33.47 29.66 1wh2 s TRP 54 CO 0.00 0.19 1.10 -1.64 -2.66 0.00 0.00 176.95 173.94 1wh2 s MET 55 N -3.20 1.53 0.80 3.25 -1.94 -1.26 -0.18 119.30 118.30 1wh2 s MET 55 Ca 0.15 0.65 -0.14 0.00 -1.71 0.00 0.00 55.69 54.64 1wh2 s MET 55 Cb -0.02 -1.85 0.07 0.00 2.01 0.00 0.00 34.83 35.04 1wh2 s MET 55 CO 0.03 -2.01 1.14 0.25 -0.01 0.00 0.00 175.02 174.42 1wh2 n THR 56 N -3.70 2.04 0.00 2.05 -2.24 -0.67 -2.85 114.28 108.91 1wh2 n THR 56 Ca 0.07 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 1wh2 n THR 56 Cb 0.56 -1.16 0.00 0.00 -2.10 0.00 0.00 70.33 67.63 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 0.66 1.42 3.87 3.38 0.00 -1.26 -4.97 105.19 108.29 1wh2 n GLY 57 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 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 3.11 0.63 1.61 0.41 -1.13 -5.06 118.70 118.26 1wh2 s GLU 58 Ca 0.00 0.64 -0.15 0.00 -0.41 0.00 0.00 54.97 55.05 1wh2 s GLU 58 Cb 0.00 -2.03 -0.02 0.00 -1.78 0.00 0.00 34.13 30.30 1wh2 s GLU 58 CO 0.00 -0.90 1.07 0.45 -0.49 0.00 0.00 175.26 175.40 1wh2 s SER 59 N -4.20 5.52 0.43 -0.19 0.15 -1.26 -4.92 113.70 109.24 1wh2 s SER 59 Ca 0.57 1.84 0.11 0.00 0.70 0.00 0.00 55.95 59.17 1wh2 s SER 59 Cb -0.12 -2.53 0.96 0.00 -1.71 0.00 0.00 66.02 62.62 1wh2 s SER 59 CO 0.53 -1.34 2.03 -0.03 1.20 0.00 0.00 173.24 175.63 1wh2 h MET 60 N 0.16 0.44 -0.03 5.44 4.05 -1.97 -2.28 114.93 120.74 1wh2 h MET 60 Ca -0.46 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 58.92 1wh2 h MET 60 Cb 1.23 -0.10 -0.00 0.00 -0.80 0.00 0.00 31.60 31.92 1wh2 h MET 60 CO 0.56 0.29 -0.03 0.93 0.23 0.00 0.00 176.91 178.89 1wh2 h GLU 61 N 0.45 0.04 0.00 0.39 4.39 -2.01 0.01 114.58 117.85 1wh2 h GLU 61 Ca 0.19 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.89 1wh2 h GLU 61 Cb 0.19 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 1wh2 h GLU 61 CO -0.05 0.08 0.00 0.45 -1.16 0.00 0.00 179.01 178.33 1wh2 n SER 62 N -4.47 0.00 -4.77 1.42 2.88 -0.86 -4.87 113.62 102.95 1wh2 n SER 62 Ca -0.02 -1.15 -0.35 0.00 -1.33 0.00 0.00 58.87 56.01 1wh2 n SER 62 Cb 0.13 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.60 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 2.71 0.26 -1.46 0.00 -0.01 -4.78 121.76 116.49 1wh2 s ALA 63 Ca 0.18 0.86 0.11 0.00 0.00 0.00 0.00 51.96 53.12 1wh2 s ALA 63 Cb 0.08 -3.37 -0.05 0.00 0.00 0.00 0.00 23.12 19.78 1wh2 s ALA 63 CO 0.14 -0.80 -0.18 0.14 0.00 0.00 0.00 175.76 175.06 1wh2 s VAL 64 N -1.72 2.30 0.19 0.00 -7.23 0.08 -4.87 120.40 109.15 1wh2 s VAL 64 Ca 0.72 -2.36 -0.32 0.00 -1.81 0.00 0.00 61.98 58.22 1wh2 s VAL 64 Cb -0.25 -2.25 -0.12 0.00 0.56 0.00 0.00 36.38 34.32 1wh2 s VAL 64 CO 0.29 -0.44 1.74 0.18 -0.31 0.00 0.00 175.10 176.56 1wh2 n LEU 65 N -0.57 3.99 -0.06 1.32 4.77 -1.26 -1.13 117.00 124.06 1wh2 n LEU 65 Ca -0.06 1.05 0.16 0.00 -0.03 0.00 0.00 56.01 57.13 1wh2 n LEU 65 Cb 0.60 -1.57 0.57 0.00 -2.33 0.00 0.00 43.42 40.70 1wh2 n LEU 65 CO 0.37 0.17 1.19 0.25 -1.33 0.00 0.00 177.39 178.04 1wh2 h LEU 66 N 7.06 0.23 -1.15 2.23 5.85 -1.65 -1.48 115.31 126.40 1wh2 h LEU 66 Ca -0.44 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.21 1wh2 h LEU 66 Cb 1.21 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 1wh2 h LEU 66 CO 0.95 0.13 -0.30 0.71 -0.34 0.00 0.00 178.44 179.59 1wh2 h THR 67 N 0.26 1.26 -0.04 1.05 1.35 -1.90 -0.10 112.91 114.78 1wh2 h THR 67 Ca 0.28 -1.23 -0.05 0.00 -0.55 0.00 0.00 66.41 64.86 1wh2 h THR 67 Cb 0.77 1.51 0.00 0.00 -1.73 0.00 0.00 68.15 68.70 1wh2 h THR 67 CO -0.06 0.37 -0.18 0.44 -0.25 0.00 0.00 175.52 175.83 1wh2 h ASP 68 N 0.18 0.24 -0.78 5.36 5.19 -1.67 -2.67 116.42 122.27 1wh2 h ASP 68 Ca 0.03 -0.65 0.08 0.00 -0.62 0.00 0.00 57.03 55.86 1wh2 h ASP 68 Cb 0.64 -0.07 -0.06 0.00 0.18 0.00 0.00 39.33 40.01 1wh2 h ASP 68 CO 0.05 0.85 0.45 0.58 -3.12 0.00 0.00 179.24 178.05 1wh2 h VAL 69 N -0.36 0.96 -0.36 -1.35 2.07 -1.18 0.09 116.25 116.12 1wh2 h VAL 69 Ca -0.01 -0.28 0.01 0.00 0.82 0.00 0.00 66.70 67.25 1wh2 h VAL 69 Cb 0.84 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 1wh2 h VAL 69 CO 0.04 0.15 0.21 -0.07 0.02 0.00 0.00 177.57 177.92 1wh2 h LEU 70 N 0.80 0.35 0.11 2.57 4.07 -1.02 -0.43 115.31 121.75 1wh2 h LEU 70 Ca 0.36 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.33 1wh2 h LEU 70 Cb 0.26 -0.07 -0.01 0.00 1.08 0.00 0.00 40.66 41.92 1wh2 h LEU 70 CO -0.21 0.25 -0.09 -0.09 -1.08 0.00 0.00 178.44 177.22 1wh2 h ARG 71 N 0.44 -0.21 -0.18 1.13 9.65 -1.02 -3.03 114.38 121.16 1wh2 h ARG 71 Ca 0.14 0.01 -0.04 0.00 -1.10 0.00 0.00 59.98 59.00 1wh2 h ARG 71 Cb 0.00 0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 28.62 1wh2 h ARG 71 CO -0.07 -0.14 -0.05 -0.07 2.80 0.00 0.00 179.97 182.44 1wh2 h LEU 72 N -0.22 0.24 -3.10 3.80 3.38 -0.69 -2.29 115.31 116.44 1wh2 h LEU 72 Ca 0.00 -0.04 -0.20 0.00 0.09 0.00 0.00 57.88 57.74 1wh2 h LEU 72 Cb 0.20 -0.06 -0.12 0.00 0.09 0.00 0.00 40.66 40.77 1wh2 h LEU 72 CO -0.02 0.34 0.25 -1.20 0.09 0.00 0.00 178.44 177.90 1wh2 n SER 73 N -4.34 3.86 -4.76 -0.43 7.64 -0.20 -4.93 113.62 110.47 1wh2 n SER 73 Ca -0.00 -2.90 -0.21 0.00 1.01 0.00 0.00 58.87 56.76 1wh2 n SER 73 Cb 0.22 -0.69 0.09 0.00 -1.01 0.00 0.00 64.21 62.82 1wh2 n SER 73 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wh2 n GLY 74 N -0.16 1.31 2.23 0.23 0.00 -0.86 -4.99 105.19 102.96 1wh2 n GLY 74 Ca 0.31 -2.13 -0.32 0.00 0.00 0.00 0.00 46.02 43.88 1wh2 n GLY 74 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wh2 n PRO 75 N -2.56 3.27 -4.30 1.61 -0.04 -1.26 -4.85 135.00 126.87 1wh2 n PRO 75 Ca 0.17 -1.90 -0.16 0.00 -0.04 0.00 0.00 63.50 61.56 1wh2 n PRO 75 Cb 0.60 -2.58 -0.10 0.00 -0.04 0.00 0.00 33.50 31.37 1wh2 n PRO 75 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1wh2 s SER 76 N 2.09 1.04 1.12 3.54 0.01 -1.26 -5.16 113.70 115.08 1wh2 s SER 76 Ca 0.69 -1.37 -0.15 0.00 1.31 0.00 0.00 55.95 56.42 1wh2 s SER 76 Cb 0.22 0.19 0.25 0.00 0.21 0.00 0.00 66.02 66.89 1wh2 s SER 76 CO -0.05 -0.74 1.08 -0.94 0.41 0.00 0.00 173.24 173.01 1wh2 s SER 77 N -3.28 1.56 0.00 2.44 1.04 -1.26 -5.07 113.70 109.12 1wh2 s SER 77 Ca 0.37 0.99 0.00 0.00 0.48 0.00 0.00 55.95 57.79 1wh2 s SER 77 Cb 0.08 -1.51 0.00 0.00 0.10 0.00 0.00 66.02 64.69 1wh2 s SER 77 CO 0.13 -3.77 0.00 0.61 0.98 0.00 0.00 173.24 171.19