#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wh2 s ARG 4 N 0.00 1.35 -0.24 -0.72 1.81 -1.26 -0.98 118.95 118.91 2wh2 s ARG 4 Ca 0.00 -1.42 -0.14 0.00 -1.72 0.00 0.00 55.73 52.45 2wh2 s ARG 4 Cb 0.00 -1.53 0.07 0.00 -0.45 0.00 0.00 34.95 33.04 2wh2 s ARG 4 CO 0.00 0.32 0.58 -1.17 -0.68 0.00 0.00 175.30 174.36 2wh2 s LEU 5 N -2.58 -0.59 -0.51 2.53 2.96 -0.52 -4.88 118.68 115.09 2wh2 s LEU 5 Ca 0.16 1.27 -0.27 0.00 -0.22 0.00 0.00 54.13 55.08 2wh2 s LEU 5 Cb -0.07 1.99 -0.03 0.00 0.50 0.00 0.00 46.19 48.58 2wh2 s LEU 5 CO 0.07 -0.22 2.01 -0.54 -1.32 0.00 0.00 176.35 176.36 2wh2 s LYS 6 N 1.43 2.64 0.37 1.98 1.02 -1.26 -1.90 119.74 124.02 2wh2 s LYS 6 Ca -0.09 1.04 0.01 0.00 0.02 0.00 0.00 55.97 56.96 2wh2 s LYS 6 Cb -0.06 -4.40 -0.02 0.00 -0.52 0.00 0.00 37.83 32.82 2wh2 s LYS 6 CO -0.15 -2.69 0.57 0.00 -0.92 0.00 0.00 175.35 172.16 2wh2 s ALA 7 N 9.46 3.79 0.33 5.17 0.00 -1.17 -4.29 121.76 135.06 2wh2 s ALA 7 Ca 0.79 -1.04 0.03 0.00 0.00 0.00 0.00 51.96 51.75 2wh2 s ALA 7 Cb -0.17 -2.05 -0.02 0.00 0.00 0.00 0.00 23.12 20.89 2wh2 s ALA 7 CO 0.25 -0.12 0.34 0.71 0.00 0.00 0.00 175.76 176.95 2wh2 s TYR 8 N -2.35 1.46 -0.08 0.00 1.51 -1.26 -3.58 117.35 113.05 2wh2 s TYR 8 Ca 0.43 -1.51 0.01 0.00 -1.01 0.00 0.00 57.07 54.99 2wh2 s TYR 8 Cb -0.10 -0.47 -0.03 0.00 -0.11 0.00 0.00 41.96 41.26 2wh2 s TYR 8 CO 0.36 -0.95 -0.08 0.71 -1.11 0.00 0.00 175.55 174.47 2wh2 s TYR 9 N -3.35 2.89 -0.25 2.71 1.51 -1.26 -3.07 117.35 116.53 2wh2 s TYR 9 Ca 0.37 -0.11 -0.04 0.00 -1.01 0.00 0.00 57.07 56.27 2wh2 s TYR 9 Cb 0.02 -1.74 0.00 0.00 -0.11 0.00 0.00 41.96 40.13 2wh2 s TYR 9 CO 0.24 0.21 0.00 0.50 -1.11 0.00 0.00 175.55 175.39 2wh2 s ARG 10 N -0.54 3.16 0.03 -0.62 3.52 -0.79 -4.91 118.95 118.80 2wh2 s ARG 10 Ca 0.08 -0.78 0.03 0.00 -0.13 0.00 0.00 55.73 54.93 2wh2 s ARG 10 Cb -0.12 -3.14 -0.25 0.00 -1.56 0.00 0.00 34.95 29.88 2wh2 s ARG 10 CO 0.02 -0.33 0.95 0.93 -0.81 0.00 0.00 175.30 176.06 2wh2 h GLU 11 N 8.14 0.12 0.00 5.12 3.07 -1.98 -3.42 114.58 125.63 2wh2 h GLU 11 Ca -0.36 -0.20 0.00 0.00 -0.50 0.00 0.00 59.36 58.30 2wh2 h GLU 11 Cb 1.14 0.08 0.00 0.00 -0.84 0.00 0.00 28.75 29.12 2wh2 h GLU 11 CO 0.59 0.95 0.00 0.41 -1.40 0.00 0.00 179.01 179.56 2wh2 n GLY 12 N 1.54 -0.95 3.23 -3.84 0.00 -1.26 -5.14 105.19 98.77 2wh2 n GLY 12 Ca -0.11 0.13 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 2wh2 n GLY 12 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wh2 s GLU 13 N 0.00 3.18 0.00 1.61 8.01 -1.26 -5.03 118.70 125.21 2wh2 s GLU 13 Ca 0.00 -0.75 0.00 0.00 0.01 0.00 0.00 54.97 54.23 2wh2 s GLU 13 Cb 0.00 -2.70 0.00 0.00 -4.31 0.00 0.00 34.13 27.12 2wh2 s GLU 13 CO 0.00 -0.12 0.00 1.17 0.01 0.00 0.00 175.26 176.32 2wh2 n LYS 14 N 4.44 0.00 -0.28 1.61 0.00 -1.26 -4.70 118.16 117.97 2wh2 n LYS 14 Ca -0.19 0.00 0.26 0.00 0.00 0.00 0.00 58.31 58.38 2wh2 n LYS 14 Cb 0.51 0.00 0.61 0.00 0.00 0.00 0.00 35.03 36.15 2wh2 n LYS 14 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.40 176.05 2wh2 h PRO 15 N 0.00 0.22 0.39 1.64 0.11 -1.99 0.15 132.00 132.52 2wh2 h PRO 15 Ca 0.00 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.08 2wh2 h PRO 15 Cb 0.00 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.06 2wh2 h PRO 15 CO 0.00 0.14 -0.19 1.03 -0.21 0.00 0.00 178.00 178.78 2wh2 h SER 16 N 0.22 -0.44 0.12 -2.05 0.87 -1.98 -1.78 113.55 108.51 2wh2 h SER 16 Ca 0.53 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 61.07 2wh2 h SER 16 Cb 1.67 0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 63.75 2wh2 h SER 16 CO -0.15 -0.27 -0.03 0.00 -0.53 0.00 0.00 176.83 175.84 2wh2 h ALA 17 N 0.03 1.39 0.54 6.23 0.00 -1.11 -0.26 119.26 126.07 2wh2 h ALA 17 Ca -0.05 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 2wh2 h ALA 17 Cb 0.43 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.22 2wh2 h ALA 17 CO 0.09 0.04 -0.26 1.25 0.00 0.00 0.00 179.25 180.37 2wh2 h LEU 18 N 0.00 -0.61 -0.66 0.00 5.85 -0.64 -3.02 115.31 116.22 2wh2 h LEU 18 Ca -0.00 0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.80 2wh2 h LEU 18 Cb 0.10 0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.23 2wh2 h LEU 18 CO 0.00 -0.22 0.36 0.03 -0.34 0.00 0.00 178.44 178.27 2wh2 h ARG 19 N -1.16 0.63 -0.99 1.25 3.08 -1.00 -0.18 114.38 116.02 2wh2 h ARG 19 Ca -0.07 -0.04 0.29 0.00 0.07 0.00 0.00 59.98 60.23 2wh2 h ARG 19 Cb 0.55 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 30.42 2wh2 h ARG 19 CO 0.12 0.42 0.77 -0.09 -1.07 0.00 0.00 179.97 180.12 2wh2 h ARG 20 N 0.65 0.00 0.00 0.04 2.43 -1.09 0.62 114.38 117.03 2wh2 h ARG 20 Ca 0.30 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 59.29 2wh2 h ARG 20 Cb 0.21 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.73 2wh2 h ARG 20 CO -0.20 0.00 -1.50 0.00 -1.51 0.00 0.00 179.97 176.77 2wh2 n ALA 21 N -2.66 1.91 0.00 2.80 0.00 -0.15 -4.97 120.51 117.45 2wh2 n ALA 21 Ca 0.21 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 53.06 2wh2 n ALA 21 Cb 1.10 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 19.64 2wh2 n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wh2 n GLY 22 N 1.42 0.68 3.48 0.00 0.00 0.22 -5.09 105.19 105.89 2wh2 n GLY 22 Ca -0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 2wh2 n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wh2 s LYS 23 N 0.00 3.21 -0.22 1.61 3.01 -0.80 -2.09 119.74 124.46 2wh2 s LYS 23 Ca 0.00 -0.58 -0.29 0.00 -1.01 0.00 0.00 55.97 54.09 2wh2 s LYS 23 Cb 0.00 -4.13 0.00 0.00 -1.01 0.00 0.00 37.83 32.69 2wh2 s LYS 23 CO 0.00 -1.60 1.11 -1.17 0.51 0.00 0.00 175.35 174.20 2wh2 s LEU 24 N 3.86 4.11 0.89 3.17 2.96 -0.91 -3.23 118.68 129.53 2wh2 s LEU 24 Ca 0.25 1.44 -0.12 0.00 -0.22 0.00 0.00 54.13 55.49 2wh2 s LEU 24 Cb -0.15 -3.54 0.13 0.00 0.50 0.00 0.00 46.19 43.13 2wh2 s LEU 24 CO 0.14 -0.72 1.09 -2.84 -1.32 0.00 0.00 176.35 172.71 2wh2 s PRO 25 N 3.34 1.28 0.00 0.98 0.02 -1.26 -2.95 135.00 136.41 2wh2 s PRO 25 Ca 0.47 0.73 0.00 0.00 0.02 0.00 0.00 61.00 62.23 2wh2 s PRO 25 Cb -0.17 -1.82 0.00 0.00 0.02 0.00 0.00 34.50 32.53 2wh2 s PRO 25 CO 0.10 -2.20 0.00 0.41 -0.33 0.00 0.00 177.00 174.97 2wh2 n GLY 26 N -1.32 1.64 3.49 0.52 0.00 -1.23 -2.16 105.19 106.13 2wh2 n GLY 26 Ca 0.07 -0.58 0.02 0.00 0.00 0.00 0.00 46.02 45.54 2wh2 n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wh2 s VAL 27 N -2.04 -0.04 -0.18 1.61 0.11 -1.24 -3.32 120.40 115.29 2wh2 s VAL 27 Ca 0.00 0.00 -0.13 0.00 -2.93 0.00 0.00 61.98 58.92 2wh2 s VAL 27 Cb 0.00 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.80 2wh2 s VAL 27 CO 0.00 0.00 0.26 0.00 -3.33 0.00 0.00 175.10 172.03 2wh2 s MET 28 N 1.45 4.23 0.22 1.54 0.23 -1.05 -2.81 119.30 123.11 2wh2 s MET 28 Ca -0.05 0.02 -0.04 0.00 -1.03 0.00 0.00 55.69 54.59 2wh2 s MET 28 Cb -0.02 -3.45 -0.03 0.00 -1.53 0.00 0.00 34.83 29.81 2wh2 s MET 28 CO -0.13 0.20 0.26 1.52 -2.03 0.00 0.00 175.02 174.85 2wh2 s TYR 29 N 0.59 0.93 0.00 3.16 -0.85 -1.20 -0.64 117.35 119.34 2wh2 s TYR 29 Ca 0.15 -1.18 0.00 0.00 -0.52 0.00 0.00 57.07 55.51 2wh2 s TYR 29 Cb -0.13 -0.31 0.00 0.00 0.38 0.00 0.00 41.96 41.90 2wh2 s TYR 29 CO 0.03 -0.78 0.00 0.27 -1.52 0.00 0.00 175.55 173.56 2wh2 n ASN 30 N -0.39 0.00 -0.43 -0.18 6.94 -0.79 -1.30 115.26 119.11 2wh2 n ASN 30 Ca 0.01 0.00 0.36 0.00 -0.02 0.00 0.00 54.58 54.93 2wh2 n ASN 30 Cb 0.64 0.00 0.55 0.00 -2.36 0.00 0.00 39.78 38.61 2wh2 n ASN 30 CO 0.00 0.00 0.00 -1.14 -1.03 0.00 0.00 177.26 175.09 2wh2 n ARG 31 N -0.66 0.00 0.00 -3.83 0.63 -1.26 -3.72 116.66 107.82 2wh2 n ARG 31 Ca 0.00 0.84 0.00 0.00 -0.92 0.00 0.00 57.85 57.77 2wh2 n ARG 31 Cb 0.00 -1.99 0.00 0.00 0.45 0.00 0.00 32.46 30.92 2wh2 n ARG 31 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 2wh2 n HIS 32 N -3.28 0.00 -2.60 -0.14 -0.00 -1.26 -5.04 115.22 102.89 2wh2 n HIS 32 Ca 0.30 0.00 -0.37 0.00 -0.00 0.00 0.00 57.72 57.64 2wh2 n HIS 32 Cb 1.47 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 31.41 2wh2 n HIS 32 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.34 175.17 2wh2 s LEU 33 N -1.32 4.28 -0.33 2.41 2.96 -1.24 -5.03 118.68 120.40 2wh2 s LEU 33 Ca 0.00 2.02 -0.01 0.00 -0.22 0.00 0.00 54.13 55.93 2wh2 s LEU 33 Cb 0.00 -4.03 0.13 0.00 0.50 0.00 0.00 46.19 42.79 2wh2 s LEU 33 CO 0.00 -0.30 0.23 0.21 -1.32 0.00 0.00 176.35 175.17 2wh2 s ASN 34 N -1.45 2.56 0.02 3.68 2.47 -1.25 -1.88 114.94 119.09 2wh2 s ASN 34 Ca 0.53 -1.59 0.03 0.00 0.42 0.00 0.00 52.86 52.25 2wh2 s ASN 34 Cb -0.23 -0.05 -0.01 0.00 -1.45 0.00 0.00 41.25 39.51 2wh2 s ASN 34 CO 0.29 -0.35 -0.09 -0.13 -3.72 0.00 0.00 177.10 173.10 2wh2 s ARG 35 N 1.64 0.63 0.06 0.43 1.81 0.19 -5.00 118.95 118.71 2wh2 s ARG 35 Ca 0.14 -0.48 -0.31 0.00 -1.72 0.00 0.00 55.73 53.37 2wh2 s ARG 35 Cb -0.18 -0.56 -0.06 0.00 -0.45 0.00 0.00 34.95 33.69 2wh2 s ARG 35 CO -0.16 0.14 1.32 0.15 -0.68 0.00 0.00 175.30 176.07 2wh2 s LYS 36 N -0.70 4.35 0.08 3.54 1.02 -1.26 -2.52 119.74 124.24 2wh2 s LYS 36 Ca -0.01 1.92 0.01 0.00 0.02 0.00 0.00 55.97 57.92 2wh2 s LYS 36 Cb -0.05 -3.37 -0.00 0.00 -0.52 0.00 0.00 37.83 33.89 2wh2 s LYS 36 CO 0.00 -0.40 0.03 1.33 -0.92 0.00 0.00 175.35 175.39 2wh2 n VAL 37 N 4.12 0.00 -2.69 3.17 0.24 -1.21 -1.89 118.33 120.07 2wh2 n VAL 37 Ca 0.11 -0.48 -0.06 0.00 -2.04 0.00 0.00 64.34 61.87 2wh2 n VAL 37 Cb 0.44 0.18 0.08 0.00 -1.47 0.00 0.00 33.84 33.08 2wh2 n VAL 37 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wh2 n TYR 38 N -0.18 -1.92 -1.42 6.34 0.18 -1.17 -3.50 117.16 115.49 2wh2 n TYR 38 Ca -0.01 -1.59 -0.43 0.00 1.88 0.00 0.00 57.90 57.74 2wh2 n TYR 38 Cb 0.12 1.49 -0.01 0.00 -0.38 0.00 0.00 39.34 40.56 2wh2 n TYR 38 CO 0.00 0.00 0.00 1.33 -2.08 0.00 0.00 176.86 176.11 2wh2 n VAL 39 N -0.41 1.58 -1.30 -3.48 0.24 -1.15 -4.40 118.33 109.40 2wh2 n VAL 39 Ca -0.08 -0.50 -0.34 0.00 -2.04 0.00 0.00 64.34 61.38 2wh2 n VAL 39 Cb 0.78 -0.35 0.11 0.00 -1.47 0.00 0.00 33.84 32.91 2wh2 n VAL 39 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2wh2 s ASP 40 N -0.93 3.93 -0.09 -1.34 -1.08 -1.26 -2.15 116.67 113.75 2wh2 s ASP 40 Ca 0.62 2.38 -0.01 0.00 -0.52 0.00 0.00 52.55 55.02 2wh2 s ASP 40 Cb -0.69 -2.59 -0.00 0.00 -1.46 0.00 0.00 42.92 38.17 2wh2 s ASP 40 CO 0.59 -2.44 -0.02 0.25 0.52 0.00 0.00 175.17 174.06 2wh2 h LEU 41 N -0.54 0.00 -0.85 -1.34 7.12 -1.73 -2.84 115.31 115.13 2wh2 h LEU 41 Ca -0.47 0.00 0.15 0.00 0.13 0.00 0.00 57.88 57.69 2wh2 h LEU 41 Cb 1.30 0.00 -0.10 0.00 -0.53 0.00 0.00 40.66 41.33 2wh2 h LEU 41 CO 0.48 0.48 0.43 1.62 -0.13 0.00 0.00 178.44 181.32 2wh2 h VAL 42 N -0.89 0.71 0.22 1.05 3.04 -1.94 0.42 116.25 118.86 2wh2 h VAL 42 Ca 0.00 -0.21 -0.01 0.00 -1.01 0.00 0.00 66.70 65.47 2wh2 h VAL 42 Cb 0.07 0.05 0.00 0.00 -2.01 0.00 0.00 31.29 29.41 2wh2 h VAL 42 CO 0.00 0.11 -0.10 -0.33 -1.01 0.00 0.00 177.57 176.24 2wh2 h GLU 43 N 0.60 -0.28 -0.20 4.17 5.08 -1.97 -0.25 114.58 121.74 2wh2 h GLU 43 Ca 0.47 0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.90 2wh2 h GLU 43 Cb 0.67 0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.93 2wh2 h GLU 43 CO -0.37 -0.07 -0.16 0.35 -1.00 0.00 0.00 179.01 177.76 2wh2 h PHE 44 N -0.45 -0.42 0.28 4.33 3.04 -0.96 0.97 116.94 123.72 2wh2 h PHE 44 Ca -0.03 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.94 2wh2 h PHE 44 Cb 0.34 0.22 -0.02 0.00 2.56 0.00 0.00 35.95 39.05 2wh2 h PHE 44 CO -0.02 -0.24 -0.31 0.22 -2.02 0.00 0.00 178.31 175.95 2wh2 h ASP 45 N -0.17 -0.85 -1.66 0.41 1.82 -0.14 1.30 116.42 117.13 2wh2 h ASP 45 Ca 0.12 0.07 0.49 0.00 -0.39 0.00 0.00 57.03 57.32 2wh2 h ASP 45 Cb 0.35 0.28 -0.08 0.00 0.68 0.00 0.00 39.33 40.57 2wh2 h ASP 45 CO -0.30 -0.39 1.18 0.11 -1.61 0.00 0.00 179.24 178.22 2wh2 h LYS 46 N -0.59 0.02 0.00 0.28 1.57 -0.71 1.44 116.57 118.58 2wh2 h LYS 46 Ca -0.03 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2wh2 h LYS 46 Cb 0.52 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 2wh2 h LYS 46 CO -0.05 0.01 -0.17 0.28 -0.57 0.00 0.00 179.45 178.95 2wh2 h VAL 47 N 0.02 0.00 0.00 0.50 2.07 0.71 -3.37 116.25 116.18 2wh2 h VAL 47 Ca 0.82 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.95 2wh2 h VAL 47 Cb 3.18 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 32.95 2wh2 h VAL 47 CO -0.08 0.00 0.02 0.15 0.02 0.00 0.00 177.57 177.67 2wh2 h PHE 48 N -0.39 0.00 0.00 1.57 3.04 0.20 -1.41 116.94 119.95 2wh2 h PHE 48 Ca 0.00 0.00 0.03 0.00 3.98 0.00 0.00 57.97 61.98 2wh2 h PHE 48 Cb 0.17 0.00 -0.05 0.00 2.56 0.00 0.00 35.95 38.63 2wh2 h PHE 48 CO -0.07 0.00 -0.33 0.00 -2.02 0.00 0.00 178.31 175.89 2wh2 h ARG 49 N 0.00 -0.46 -0.01 1.11 2.47 0.19 -0.31 114.38 117.37 2wh2 h ARG 49 Ca 0.00 0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.75 2wh2 h ARG 49 Cb 0.03 0.11 0.00 0.00 -1.65 0.00 0.00 29.97 28.46 2wh2 h ARG 49 CO 0.00 -0.31 -0.75 1.04 0.56 0.00 0.00 179.97 180.52 2wh2 n GLN 50 N -5.42 0.51 0.00 0.04 6.02 -1.07 -4.54 117.38 112.92 2wh2 n GLN 50 Ca -0.05 -0.41 0.00 0.00 -0.01 0.00 0.00 57.00 56.53 2wh2 n GLN 50 Cb 0.33 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.10 2wh2 n GLN 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2wh2 n ALA 51 N -0.89 -0.15 -0.42 -1.58 0.00 -0.56 -5.00 120.51 111.92 2wh2 n ALA 51 Ca 0.06 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.56 2wh2 n ALA 51 Cb 0.39 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.82 2wh2 n ALA 51 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2wh2 n SER 52 N -1.79 -2.52 0.00 0.00 2.88 -0.15 -3.70 113.62 108.34 2wh2 n SER 52 Ca 0.00 0.22 0.07 0.00 -1.33 0.00 0.00 58.87 57.83 2wh2 n SER 52 Cb 0.00 -1.31 0.41 0.00 -0.75 0.00 0.00 64.21 62.56 2wh2 n SER 52 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 2wh2 n ILE 53 N -2.35 0.00 0.08 2.46 -6.64 -1.26 -3.49 119.36 108.16 2wh2 n ILE 53 Ca -0.00 0.00 -0.19 0.00 -1.77 0.00 0.00 62.75 60.79 2wh2 n ILE 53 Cb 0.19 -0.44 -0.11 0.00 -1.44 0.00 0.00 39.64 37.85 2wh2 n ILE 53 CO 0.00 0.00 0.00 0.45 -1.77 0.00 0.00 176.55 175.23 2wh2 h HIS 54 N 0.00 0.82 -2.20 4.28 3.86 -1.83 -3.45 115.15 116.64 2wh2 h HIS 54 Ca 0.00 -0.51 -0.57 0.00 -1.16 0.00 0.00 60.37 58.14 2wh2 h HIS 54 Cb 0.00 -0.07 -0.10 0.00 1.06 0.00 0.00 27.41 28.30 2wh2 h HIS 54 CO 0.00 1.35 -0.66 -1.58 0.86 0.00 0.00 177.93 177.90 2wh2 s HIS 55 N -3.03 2.62 0.45 2.45 2.46 -1.23 -4.97 115.29 114.04 2wh2 s HIS 55 Ca -0.08 -0.25 -0.17 0.00 0.47 0.00 0.00 55.06 55.04 2wh2 s HIS 55 Cb 0.07 -1.17 -0.09 0.00 -0.13 0.00 0.00 32.58 31.26 2wh2 s HIS 55 CO 0.91 0.63 0.91 0.08 -2.47 0.00 0.00 174.74 174.80 2wh2 s VAL 56 N -2.36 4.55 0.20 0.89 1.01 -1.26 -4.74 120.40 118.69 2wh2 s VAL 56 Ca 0.31 1.16 0.09 0.00 0.00 0.00 0.00 61.98 63.55 2wh2 s VAL 56 Cb -0.06 -3.68 -0.05 0.00 0.00 0.00 0.00 36.38 32.60 2wh2 s VAL 56 CO 0.19 -0.51 -0.18 -0.63 0.00 0.00 0.00 175.10 173.97 2wh2 s ILE 57 N -2.40 1.97 -0.16 2.22 -1.09 0.23 -2.54 121.20 119.44 2wh2 s ILE 57 Ca 0.58 -2.12 0.00 0.00 -2.23 0.00 0.00 60.65 56.88 2wh2 s ILE 57 Cb -0.10 -2.02 -0.00 0.00 -1.58 0.00 0.00 42.46 38.76 2wh2 s ILE 57 CO 0.25 -0.41 -0.15 -0.69 -1.23 0.00 0.00 174.94 172.71 2wh2 s VAL 58 N -2.40 2.67 -0.43 2.92 1.01 -0.15 0.12 120.40 124.14 2wh2 s VAL 58 Ca 0.21 -0.77 -0.22 0.00 0.00 0.00 0.00 61.98 61.20 2wh2 s VAL 58 Cb -0.04 -2.13 0.02 0.00 0.00 0.00 0.00 36.38 34.23 2wh2 s VAL 58 CO 0.09 0.51 0.74 -0.76 0.00 0.00 0.00 175.10 175.68 2wh2 s LEU 59 N 0.85 4.30 -1.18 3.92 1.43 0.34 -1.44 118.68 126.91 2wh2 s LEU 59 Ca -0.05 -0.10 -0.12 0.00 -1.03 0.00 0.00 54.13 52.83 2wh2 s LEU 59 Cb -0.15 -2.90 0.21 0.00 0.03 0.00 0.00 46.19 43.38 2wh2 s LEU 59 CO -0.01 -0.84 1.33 -0.62 0.23 0.00 0.00 176.35 176.45 2wh2 n GLU 60 N 6.52 3.45 -0.24 1.70 1.02 -0.80 -2.06 120.64 130.23 2wh2 n GLU 60 Ca 0.01 -4.07 -0.19 0.00 -0.02 0.00 0.00 57.16 52.89 2wh2 n GLU 60 Cb 0.48 -2.86 0.18 0.00 -0.02 0.00 0.00 31.44 29.23 2wh2 n GLU 60 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2wh2 n LEU 61 N 4.51 0.00 -0.07 -4.62 7.99 -1.17 -3.02 117.00 120.61 2wh2 n LEU 61 Ca 0.32 -0.55 0.14 0.00 -0.01 0.00 0.00 56.01 55.91 2wh2 n LEU 61 Cb 0.41 -0.69 0.54 0.00 -0.11 0.00 0.00 43.42 43.57 2wh2 n LEU 61 CO 0.57 -2.40 0.81 -2.65 -1.51 0.00 0.00 177.39 172.22 2wh2 n PRO 62 N -3.58 0.41 -3.64 3.23 -0.02 -1.23 -4.43 135.00 125.73 2wh2 n PRO 62 Ca 0.09 -0.14 -0.28 0.00 -2.02 0.00 0.00 63.50 61.15 2wh2 n PRO 62 Cb 0.38 -1.50 -0.11 0.00 -0.02 0.00 0.00 33.50 32.25 2wh2 n PRO 62 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2wh2 s ASP 63 N -2.69 3.10 0.00 2.55 1.01 -1.26 -5.04 116.67 114.34 2wh2 s ASP 63 Ca 0.22 -3.36 0.00 0.00 0.71 0.00 0.00 52.55 50.12 2wh2 s ASP 63 Cb 0.19 -1.01 0.00 0.00 1.01 0.00 0.00 42.92 43.12 2wh2 s ASP 63 CO 0.53 -0.14 0.00 0.61 0.21 0.00 0.00 175.17 176.38 2wh2 n GLY 64 N 2.54 -0.03 0.00 0.21 0.00 -1.26 -4.84 105.19 101.80 2wh2 n GLY 64 Ca 0.23 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.44 2wh2 n GLY 64 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2wh2 n GLN 65 N 0.00 0.00 -3.96 1.61 6.02 -1.26 -4.50 117.38 115.29 2wh2 n GLN 65 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.69 2wh2 n GLN 65 Cb 0.00 0.00 -0.14 0.00 1.02 0.00 0.00 30.24 31.12 2wh2 n GLN 65 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 2wh2 s SER 66 N 0.00 4.42 0.19 1.08 0.01 -1.26 -3.06 113.70 115.08 2wh2 s SER 66 Ca 0.00 -2.72 -0.18 0.00 1.31 0.00 0.00 55.95 54.36 2wh2 s SER 66 Cb 0.00 -1.60 -0.08 0.00 0.21 0.00 0.00 66.02 64.55 2wh2 s SER 66 CO 0.00 -0.28 0.67 -0.76 0.41 0.00 0.00 173.24 173.28 2wh2 s LEU 67 N 0.13 4.35 0.71 2.44 1.02 -0.87 -4.76 118.68 121.70 2wh2 s LEU 67 Ca 0.15 1.32 -0.11 0.00 0.02 0.00 0.00 54.13 55.51 2wh2 s LEU 67 Cb -0.24 -3.46 0.02 0.00 0.02 0.00 0.00 46.19 42.53 2wh2 s LEU 67 CO -0.03 0.07 1.07 -2.16 0.02 0.00 0.00 176.35 175.31 2wh2 s PRO 68 N -1.91 2.79 -0.23 1.29 0.04 -1.26 0.13 135.00 135.85 2wh2 s PRO 68 Ca 0.41 0.91 -0.25 0.00 0.04 0.00 0.00 61.00 62.11 2wh2 s PRO 68 Cb -0.16 -1.98 0.07 0.00 0.04 0.00 0.00 34.50 32.47 2wh2 s PRO 68 CO 0.20 -1.19 0.69 0.95 0.04 0.00 0.00 177.00 177.70 2wh2 s THR 69 N -3.06 0.00 -0.37 1.26 -4.23 0.34 -3.60 115.64 105.98 2wh2 s THR 69 Ca 0.58 -0.00 0.00 0.00 -1.18 0.00 0.00 61.69 61.10 2wh2 s THR 69 Cb -0.14 -0.97 0.14 0.00 1.34 0.00 0.00 72.50 72.86 2wh2 s THR 69 CO 0.55 -0.00 0.21 -0.22 -0.54 0.00 0.00 174.62 174.62 2wh2 s LEU 70 N 0.14 1.48 0.06 4.79 0.20 -0.47 0.77 118.68 125.64 2wh2 s LEU 70 Ca -0.02 -2.26 -0.22 0.00 0.69 0.00 0.00 54.13 52.33 2wh2 s LEU 70 Cb -0.04 -0.59 -0.12 0.00 -0.43 0.00 0.00 46.19 45.01 2wh2 s LEU 70 CO 0.02 -0.31 0.53 0.52 -0.29 0.00 0.00 176.35 176.83 2wh2 n VAL 71 N 3.98 0.55 -0.06 1.68 0.31 -1.26 -2.55 118.33 120.98 2wh2 n VAL 71 Ca 0.10 -0.14 -0.04 0.00 -0.01 0.00 0.00 64.34 64.25 2wh2 n VAL 71 Cb 0.37 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 33.18 2wh2 n VAL 71 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2wh2 n ARG 72 N 0.82 1.39 0.00 5.55 5.12 -0.43 -4.74 116.66 124.38 2wh2 n ARG 72 Ca 0.12 -0.04 0.00 0.00 -1.93 0.00 0.00 57.85 56.01 2wh2 n ARG 72 Cb 0.10 -1.37 0.00 0.00 -1.16 0.00 0.00 32.46 30.03 2wh2 n ARG 72 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2wh2 n GLN 73 N -2.43 0.00 -3.93 5.56 10.64 -1.19 -5.05 117.38 120.99 2wh2 n GLN 73 Ca -0.19 0.00 -0.35 0.00 -1.83 0.00 0.00 57.00 54.63 2wh2 n GLN 73 Cb 0.85 0.00 -0.09 0.00 -0.86 0.00 0.00 30.24 30.14 2wh2 n GLN 73 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 2wh2 s VAL 74 N 0.00 4.97 -0.08 -0.39 1.01 -1.26 -2.25 120.40 122.40 2wh2 s VAL 74 Ca 0.00 0.03 -0.10 0.00 0.00 0.00 0.00 61.98 61.91 2wh2 s VAL 74 Cb 0.00 -3.25 -0.05 0.00 0.00 0.00 0.00 36.38 33.09 2wh2 s VAL 74 CO 0.00 0.46 0.23 0.20 0.00 0.00 0.00 175.10 175.99 2wh2 s ASN 75 N 0.35 6.53 0.54 3.32 0.01 0.61 -4.95 114.94 121.37 2wh2 s ASN 75 Ca 0.04 0.63 0.07 0.00 -0.71 0.00 0.00 52.86 52.90 2wh2 s ASN 75 Cb -0.12 -2.13 0.09 0.00 0.41 0.00 0.00 41.25 39.50 2wh2 s ASN 75 CO -0.01 0.37 0.74 0.18 -1.51 0.00 0.00 177.10 176.88 2wh2 n LEU 76 N 1.97 0.00 -0.52 0.60 7.99 -1.26 0.15 117.00 125.93 2wh2 n LEU 76 Ca -0.18 -2.12 0.06 0.00 -0.01 0.00 0.00 56.01 53.76 2wh2 n LEU 76 Cb 0.54 -0.41 0.15 0.00 -0.11 0.00 0.00 43.42 43.59 2wh2 n LEU 76 CO 0.33 -0.73 0.62 -0.67 -1.51 0.00 0.00 177.39 175.43 2wh2 n ASP 77 N -2.52 2.93 0.00 -1.43 2.03 -0.73 -4.55 116.55 112.28 2wh2 n ASP 77 Ca 0.14 -2.38 0.00 0.00 0.52 0.00 0.00 54.79 53.07 2wh2 n ASP 77 Cb 0.52 -0.29 0.00 0.00 -0.72 0.00 0.00 41.12 40.64 2wh2 n ASP 77 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2wh2 n LYS 78 N -0.16 0.00 -2.12 -0.67 4.76 -1.26 -4.48 118.16 114.22 2wh2 n LYS 78 Ca 0.12 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.14 2wh2 n LYS 78 Cb 0.53 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.69 2wh2 n LYS 78 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 2wh2 s ARG 79 N 0.00 4.29 0.00 1.97 3.03 -1.26 -1.92 118.95 125.06 2wh2 s ARG 79 Ca 0.00 2.12 0.00 0.00 2.03 0.00 0.00 55.73 59.88 2wh2 s ARG 79 Cb 0.00 -3.28 0.00 0.00 -1.03 0.00 0.00 34.95 30.64 2wh2 s ARG 79 CO 0.00 -0.49 0.00 0.54 -1.13 0.00 0.00 175.30 174.22 2wh2 n ARG 80 N 4.17 0.00 -0.14 3.89 5.12 -1.26 -4.75 116.66 123.69 2wh2 n ARG 80 Ca 0.12 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.04 2wh2 n ARG 80 Cb 0.42 -2.43 0.00 0.00 -1.16 0.00 0.00 32.46 29.28 2wh2 n ARG 80 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 2wh2 n ARG 81 N -0.67 0.00 -4.09 5.56 1.85 -0.81 -4.78 116.66 113.72 2wh2 n ARG 81 Ca 0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 57.85 56.71 2wh2 n ARG 81 Cb 0.41 -0.14 -0.12 0.00 -1.05 0.00 0.00 32.46 31.57 2wh2 n ARG 81 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 2wh2 s ARG 82 N 0.69 0.58 0.40 2.89 3.52 -1.26 -4.97 118.95 120.80 2wh2 s ARG 82 Ca 0.00 -0.77 -0.25 0.00 -0.13 0.00 0.00 55.73 54.58 2wh2 s ARG 82 Cb 0.00 -0.39 -0.08 0.00 -1.56 0.00 0.00 34.95 32.92 2wh2 s ARG 82 CO 0.00 0.08 1.14 -1.25 -0.81 0.00 0.00 175.30 174.46 2wh2 s PRO 83 N -1.54 4.06 -0.08 5.12 0.04 -1.26 -1.77 135.00 139.56 2wh2 s PRO 83 Ca -0.08 1.77 -0.02 0.00 0.04 0.00 0.00 61.00 62.71 2wh2 s PRO 83 Cb -0.10 -2.64 -0.05 0.00 0.04 0.00 0.00 34.50 31.76 2wh2 s PRO 83 CO 0.01 -0.29 -0.09 0.39 0.04 0.00 0.00 177.00 177.05 2wh2 n GLU 84 N 0.02 0.19 -3.56 4.56 -0.58 0.39 -4.88 120.64 116.78 2wh2 n GLU 84 Ca 0.05 0.06 -0.26 0.00 -0.42 0.00 0.00 57.16 56.58 2wh2 n GLU 84 Cb 0.47 -1.00 -0.15 0.00 -0.57 0.00 0.00 31.44 30.18 2wh2 n GLU 84 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 2wh2 s HIS 85 N -2.16 0.19 -0.39 -0.32 2.46 -1.14 -4.11 115.29 109.81 2wh2 s HIS 85 Ca -0.11 -0.54 -0.16 0.00 0.47 0.00 0.00 55.06 54.72 2wh2 s HIS 85 Cb 0.04 -0.76 0.01 0.00 -0.13 0.00 0.00 32.58 31.74 2wh2 s HIS 85 CO 0.17 -0.69 0.39 0.14 -2.47 0.00 0.00 174.74 172.28 2wh2 s VAL 86 N 2.14 5.15 -0.18 0.89 -7.23 -0.92 -0.28 120.40 119.97 2wh2 s VAL 86 Ca 0.06 -0.29 0.01 0.00 -1.81 0.00 0.00 61.98 59.95 2wh2 s VAL 86 Cb -0.16 -3.95 0.03 0.00 0.56 0.00 0.00 36.38 32.86 2wh2 s VAL 86 CO -0.24 -0.30 -0.17 1.51 -0.31 0.00 0.00 175.10 175.60 2wh2 s ASP 87 N 1.76 3.18 -0.09 4.85 1.47 -0.95 -3.69 116.67 123.20 2wh2 s ASP 87 Ca 0.10 -0.71 -0.09 0.00 1.18 0.00 0.00 52.55 53.04 2wh2 s ASP 87 Cb -0.17 -1.39 -0.04 0.00 -0.34 0.00 0.00 42.92 40.97 2wh2 s ASP 87 CO 0.12 -0.05 0.21 -0.36 0.68 0.00 0.00 175.17 175.78 2wh2 s PHE 88 N 1.33 3.64 0.08 2.11 0.40 -1.12 -1.32 117.98 123.09 2wh2 s PHE 88 Ca 0.03 0.66 -0.30 0.00 -0.60 0.00 0.00 56.93 56.72 2wh2 s PHE 88 Cb -0.14 -2.04 -0.05 0.00 0.51 0.00 0.00 43.02 41.30 2wh2 s PHE 88 CO -0.11 0.71 1.03 0.12 0.70 0.00 0.00 175.22 177.67 2wh2 s PHE 89 N -1.04 3.67 -0.08 0.36 5.99 -1.06 -3.22 117.98 122.60 2wh2 s PHE 89 Ca 0.17 1.66 -0.29 0.00 0.00 0.00 0.00 56.93 58.47 2wh2 s PHE 89 Cb -0.13 -3.17 -0.02 0.00 0.00 0.00 0.00 43.02 39.70 2wh2 s PHE 89 CO 0.07 -0.22 0.98 0.08 -0.00 0.00 0.00 175.22 176.14 2wh2 s VAL 90 N 0.45 4.82 0.10 3.12 1.01 -0.42 -1.37 120.40 128.10 2wh2 s VAL 90 Ca 0.51 2.01 -0.27 0.00 0.00 0.00 0.00 61.98 64.23 2wh2 s VAL 90 Cb -0.24 -4.30 -0.06 0.00 0.00 0.00 0.00 36.38 31.77 2wh2 s VAL 90 CO 0.30 0.05 0.85 -0.76 0.00 0.00 0.00 175.10 175.54 2wh2 s LEU 91 N 1.74 4.50 0.00 3.92 1.43 -1.24 -4.83 118.68 124.21 2wh2 s LEU 91 Ca 0.48 1.63 0.00 0.00 -1.03 0.00 0.00 54.13 55.22 2wh2 s LEU 91 Cb -0.19 -3.39 0.00 0.00 0.03 0.00 0.00 46.19 42.64 2wh2 s LEU 91 CO 0.20 0.02 0.00 -0.24 0.23 0.00 0.00 176.35 176.56 2wh2 n SER 92 N 2.55 0.00 -0.70 2.29 2.88 -1.26 -4.72 113.62 114.66 2wh2 n SER 92 Ca -0.01 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.50 2wh2 n SER 92 Cb 0.49 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.92 2wh2 n SER 92 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2wh2 n ASP 93 N 0.00 -0.43 -4.84 -3.46 5.68 -1.26 -4.72 116.55 107.51 2wh2 n ASP 93 Ca 0.00 -0.89 -0.22 0.00 -0.50 0.00 0.00 54.79 53.18 2wh2 n ASP 93 Cb 0.00 0.13 0.08 0.00 -1.14 0.00 0.00 41.12 40.19 2wh2 n ASP 93 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 2wh2 s GLU 94 N 0.00 2.04 -0.67 0.11 0.41 -1.26 -4.75 118.70 114.58 2wh2 s GLU 94 Ca 0.00 -1.25 -0.25 0.00 -0.41 0.00 0.00 54.97 53.06 2wh2 s GLU 94 Cb 0.00 -2.47 -0.21 0.00 -1.78 0.00 0.00 34.13 29.67 2wh2 s GLU 94 CO 0.00 -1.11 1.86 -2.30 -0.49 0.00 0.00 175.26 173.22 2wh2 n PRO 95 N -2.53 1.02 -2.38 0.39 -0.02 -1.26 -4.37 135.00 125.85 2wh2 n PRO 95 Ca 0.14 -1.73 -0.43 0.00 -2.02 0.00 0.00 63.50 59.46 2wh2 n PRO 95 Cb 0.61 -3.04 -0.02 0.00 -0.02 0.00 0.00 33.50 31.02 2wh2 n PRO 95 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2wh2 s VAL 96 N 7.64 4.04 0.57 -1.45 1.01 -0.24 -4.67 120.40 127.30 2wh2 s VAL 96 Ca 0.64 1.15 -0.19 0.00 0.00 0.00 0.00 61.98 63.59 2wh2 s VAL 96 Cb 0.10 -4.13 -0.05 0.00 0.00 0.00 0.00 36.38 32.31 2wh2 s VAL 96 CO 0.19 -0.53 1.16 -1.61 0.00 0.00 0.00 175.10 174.30 2wh2 s GLU 97 N 4.40 3.18 -0.05 2.72 8.01 -1.26 -3.08 118.70 132.62 2wh2 s GLU 97 Ca 0.59 1.68 -0.31 0.00 0.01 0.00 0.00 54.97 56.94 2wh2 s GLU 97 Cb -0.17 -1.97 0.11 0.00 -4.31 0.00 0.00 34.13 27.79 2wh2 s GLU 97 CO 0.26 -1.00 1.05 0.00 0.01 0.00 0.00 175.26 175.58 2wh2 s MET 98 N -3.35 0.65 -0.33 1.61 0.23 -0.35 -4.91 119.30 112.85 2wh2 s MET 98 Ca 0.74 -0.27 -0.14 0.00 -1.03 0.00 0.00 55.69 54.99 2wh2 s MET 98 Cb -0.26 0.27 -0.02 0.00 -1.53 0.00 0.00 34.83 33.29 2wh2 s MET 98 CO 0.30 -0.29 0.28 0.71 -2.03 0.00 0.00 175.02 173.99 2wh2 s TYR 99 N -2.83 3.22 -0.07 3.16 2.02 -1.25 0.96 117.35 122.56 2wh2 s TYR 99 Ca 0.08 -0.08 -0.17 0.00 -0.37 0.00 0.00 57.07 56.54 2wh2 s TYR 99 Cb -0.00 -2.53 -0.05 0.00 -0.40 0.00 0.00 41.96 38.97 2wh2 s TYR 99 CO -0.05 -0.35 0.44 0.08 -1.57 0.00 0.00 175.55 174.09 2wh2 s VAL 100 N 1.84 5.12 0.91 0.71 1.01 0.46 -4.67 120.40 125.78 2wh2 s VAL 100 Ca 0.08 0.89 -0.12 0.00 0.00 0.00 0.00 61.98 62.83 2wh2 s VAL 100 Cb -0.17 -3.77 0.19 0.00 0.00 0.00 0.00 36.38 32.63 2wh2 s VAL 100 CO 0.11 0.43 0.43 -2.65 0.00 0.00 0.00 175.10 173.42 2wh2 n PRO 101 N 2.90 -1.68 -3.12 2.72 -0.02 -1.26 -0.11 135.00 134.43 2wh2 n PRO 101 Ca -0.10 -0.71 -0.11 0.00 -2.02 0.00 0.00 63.50 60.55 2wh2 n PRO 101 Cb 0.52 -1.31 -0.04 0.00 -0.02 0.00 0.00 33.50 32.65 2wh2 n PRO 101 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2wh2 s LEU 102 N 0.00 -0.53 -0.23 2.45 1.02 -1.17 -4.03 118.68 116.19 2wh2 s LEU 102 Ca 0.33 -1.82 -0.27 0.00 0.02 0.00 0.00 54.13 52.39 2wh2 s LEU 102 Cb -0.06 1.10 0.00 0.00 0.02 0.00 0.00 46.19 47.25 2wh2 s LEU 102 CO 0.28 -0.15 0.93 -0.13 0.02 0.00 0.00 176.35 177.30 2wh2 s ARG 103 N 1.00 4.23 -0.07 1.70 0.52 -1.20 -4.87 118.95 120.27 2wh2 s ARG 103 Ca 0.25 1.14 -0.01 0.00 -0.52 0.00 0.00 55.73 56.59 2wh2 s ARG 103 Cb -0.04 -3.63 -0.00 0.00 0.52 0.00 0.00 34.95 31.80 2wh2 s ARG 103 CO -0.08 -0.55 -0.02 0.74 0.02 0.00 0.00 175.30 175.42 2wh2 h PHE 104 N 7.54 0.00 -3.67 -0.53 0.04 -1.84 -3.19 116.94 115.28 2wh2 h PHE 104 Ca -0.22 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.55 2wh2 h PHE 104 Cb 1.08 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.23 2wh2 h PHE 104 CO 0.75 0.00 -0.51 1.55 -0.60 0.00 0.00 178.31 179.50 2wh2 n VAL 105 N -3.81 -3.52 0.00 -0.55 3.14 -1.26 -2.33 118.33 110.01 2wh2 n VAL 105 Ca -0.01 1.46 0.00 0.00 -2.96 0.00 0.00 64.34 62.83 2wh2 n VAL 105 Cb 0.03 -1.97 0.00 0.00 -1.06 0.00 0.00 33.84 30.84 2wh2 n VAL 105 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2wh2 n GLY 106 N 0.67 1.11 3.39 7.55 0.00 -1.24 -3.79 105.19 112.89 2wh2 n GLY 106 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2wh2 n GLY 106 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wh2 n THR 107 N 0.00 -7.29 0.00 2.61 -2.24 -1.26 -4.84 114.28 101.26 2wh2 n THR 107 Ca 0.00 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 2wh2 n THR 107 Cb 0.00 -5.24 0.00 0.00 -2.10 0.00 0.00 70.33 62.99 2wh2 n THR 107 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2wh2 n PRO 108 N -2.39 2.61 0.00 -0.78 -0.04 -0.96 -4.89 135.00 128.54 2wh2 n PRO 108 Ca -0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 2wh2 n PRO 108 Cb 0.58 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.04 2wh2 n PRO 108 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wh2 n ALA 109 N -3.00 0.00 -3.54 0.55 0.00 -1.22 -4.71 120.51 108.60 2wh2 n ALA 109 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 2wh2 n ALA 109 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.48 2wh2 n ALA 109 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wh2 n GLY 110 N 1.14 -0.08 0.00 0.00 0.00 -1.26 -4.95 105.19 100.04 2wh2 n GLY 110 Ca 0.00 1.05 0.00 0.00 0.00 0.00 0.00 46.02 47.07 2wh2 n GLY 110 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2wh2 n VAL 111 N -0.63 0.00 -0.15 1.61 3.14 -1.22 -4.46 118.33 116.62 2wh2 n VAL 111 Ca -0.13 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.25 2wh2 n VAL 111 Cb 0.68 0.00 0.27 0.00 -1.06 0.00 0.00 33.84 33.73 2wh2 n VAL 111 CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 2wh2 h ARG 112 N 0.00 0.86 -0.02 1.45 1.12 -2.00 0.60 114.38 116.40 2wh2 h ARG 112 Ca 0.00 -0.08 0.00 0.00 -1.11 0.00 0.00 59.98 58.80 2wh2 h ARG 112 Cb 0.00 -0.18 -0.00 0.00 -0.01 0.00 0.00 29.97 29.78 2wh2 h ARG 112 CO 0.00 0.62 0.01 0.00 -3.11 0.00 0.00 179.97 177.49 2wh2 h ALA 113 N 1.53 1.96 0.00 2.80 0.00 -1.97 -3.47 119.26 120.11 2wh2 h ALA 113 Ca 0.23 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2wh2 h ALA 113 Cb -0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2wh2 h ALA 113 CO -0.04 -0.02 0.00 0.41 0.00 0.00 0.00 179.25 179.60 2wh2 n GLY 114 N -1.52 1.13 1.40 0.00 0.00 0.21 -4.77 105.19 101.64 2wh2 n GLY 114 Ca -0.03 -0.85 0.17 0.00 0.00 0.00 0.00 46.02 45.31 2wh2 n GLY 114 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wh2 n GLY 115 N 0.00 -2.96 3.04 -0.02 0.00 -1.25 -3.43 105.19 100.57 2wh2 n GLY 115 Ca 0.00 -0.95 -0.13 0.00 0.00 0.00 0.00 46.02 44.94 2wh2 n GLY 115 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wh2 s VAL 116 N -4.15 0.47 -0.91 1.61 1.01 0.41 -4.82 120.40 114.02 2wh2 s VAL 116 Ca 0.00 -0.98 -0.24 0.00 0.00 0.00 0.00 61.98 60.76 2wh2 s VAL 116 Cb 0.00 -0.53 0.05 0.00 0.00 0.00 0.00 36.38 35.90 2wh2 s VAL 116 CO 0.00 -0.36 1.35 -1.48 0.00 0.00 0.00 175.10 174.61 2wh2 s LEU 117 N -1.44 3.54 -1.11 3.92 2.34 -1.26 -1.75 118.68 122.92 2wh2 s LEU 117 Ca -0.10 -1.16 -0.21 0.00 0.06 0.00 0.00 54.13 52.72 2wh2 s LEU 117 Cb -0.09 -2.55 0.07 0.00 -0.56 0.00 0.00 46.19 43.06 2wh2 s LEU 117 CO 0.00 -1.58 1.51 -1.58 -1.06 0.00 0.00 176.35 173.65 2wh2 s GLN 118 N 5.01 3.74 0.00 1.48 0.74 0.22 -4.81 119.66 126.04 2wh2 s GLN 118 Ca 0.41 -1.53 -0.01 0.00 0.05 0.00 0.00 55.36 54.27 2wh2 s GLN 118 Cb -0.04 -5.36 -0.05 0.00 1.10 0.00 0.00 33.01 28.66 2wh2 s GLN 118 CO -0.01 -2.16 1.07 -0.85 -0.55 0.00 0.00 175.29 172.78 2wh2 n GLU 119 N 8.36 0.44 -1.69 1.67 0.28 -1.26 -1.38 120.64 127.05 2wh2 n GLU 119 Ca 0.37 -0.18 -0.56 0.00 -0.16 0.00 0.00 57.16 56.64 2wh2 n GLU 119 Cb 0.49 -1.55 -0.07 0.00 1.43 0.00 0.00 31.44 31.74 2wh2 n GLU 119 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 2wh2 n ILE 120 N 2.58 0.27 -2.25 3.84 5.41 -1.25 -2.88 119.36 125.08 2wh2 n ILE 120 Ca 0.08 -0.05 -0.02 0.00 1.00 0.00 0.00 62.75 63.76 2wh2 n ILE 120 Cb 0.20 -1.21 0.00 0.00 -0.71 0.00 0.00 39.64 37.93 2wh2 n ILE 120 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 176.55 178.12 2wh2 n HIS 121 N 4.96 -1.64 0.00 1.39 -0.00 -1.26 -3.08 115.22 115.58 2wh2 n HIS 121 Ca 0.25 0.64 0.00 0.00 -0.00 0.00 0.00 57.72 58.61 2wh2 n HIS 121 Cb 0.15 -2.84 0.00 0.00 -0.00 0.00 0.00 29.99 27.31 2wh2 n HIS 121 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 2wh2 n ARG 122 N -0.98 0.00 -3.91 1.57 1.74 -1.14 -4.72 116.66 109.22 2wh2 n ARG 122 Ca 0.03 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 57.15 2wh2 n ARG 122 Cb 0.39 -1.00 0.01 0.00 -1.02 0.00 0.00 32.46 30.84 2wh2 n ARG 122 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2wh2 n ASP 123 N -0.43 -0.98 -3.64 0.55 5.68 -1.26 -3.01 116.55 113.45 2wh2 n ASP 123 Ca 0.00 -1.05 -0.15 0.00 -0.50 0.00 0.00 54.79 53.09 2wh2 n ASP 123 Cb 0.00 1.48 -0.07 0.00 -1.14 0.00 0.00 41.12 41.39 2wh2 n ASP 123 CO 0.00 0.00 0.00 -0.51 -1.33 0.00 0.00 177.20 175.36 2wh2 s ILE 124 N -2.00 0.03 0.20 2.12 2.07 0.84 -4.91 121.20 119.55 2wh2 s ILE 124 Ca 0.30 -0.27 -0.30 0.00 -1.41 0.00 0.00 60.65 58.98 2wh2 s ILE 124 Cb -0.00 -0.83 -0.08 0.00 0.13 0.00 0.00 42.46 41.68 2wh2 s ILE 124 CO -0.02 -0.15 0.96 -0.22 -1.91 0.00 0.00 174.94 173.60 2wh2 s LEU 125 N -1.40 4.59 0.06 8.50 2.96 -1.24 0.18 118.68 132.32 2wh2 s LEU 125 Ca -0.11 1.92 -0.26 0.00 -0.22 0.00 0.00 54.13 55.46 2wh2 s LEU 125 Cb -0.02 -3.60 0.08 0.00 0.50 0.00 0.00 46.19 43.15 2wh2 s LEU 125 CO 0.05 0.05 0.73 0.68 -1.32 0.00 0.00 176.35 176.54 2wh2 s VAL 126 N -0.74 0.00 -0.06 1.68 -7.23 0.27 -3.35 120.40 110.98 2wh2 s VAL 126 Ca 0.44 0.00 -0.26 0.00 -1.81 0.00 0.00 61.98 60.34 2wh2 s VAL 126 Cb -0.26 -1.00 -0.03 0.00 0.56 0.00 0.00 36.38 35.65 2wh2 s VAL 126 CO 0.32 0.00 0.84 -0.54 -0.31 0.00 0.00 175.10 175.40 2wh2 s LYS 127 N -3.10 4.46 0.32 4.82 1.02 -0.91 -1.21 119.74 125.15 2wh2 s LYS 127 Ca 0.01 1.12 -0.18 0.00 0.02 0.00 0.00 55.97 56.94 2wh2 s LYS 127 Cb -0.01 -3.47 0.05 0.00 -0.52 0.00 0.00 37.83 33.88 2wh2 s LYS 127 CO -0.08 -0.05 0.82 0.54 -0.92 0.00 0.00 175.35 175.66 2wh2 s VAL 128 N 1.11 0.00 0.03 3.17 0.11 -1.18 -2.87 120.40 120.77 2wh2 s VAL 128 Ca 0.44 -0.92 0.07 0.00 -2.93 0.00 0.00 61.98 58.63 2wh2 s VAL 128 Cb -0.19 -2.67 -0.03 0.00 -1.53 0.00 0.00 36.38 31.97 2wh2 s VAL 128 CO 0.21 0.00 -0.20 -0.55 -3.33 0.00 0.00 175.10 171.23 2wh2 s SER 129 N -3.08 3.63 0.50 3.54 0.15 -1.26 -1.08 113.70 116.09 2wh2 s SER 129 Ca 0.15 -0.44 0.39 0.00 0.70 0.00 0.00 55.95 56.75 2wh2 s SER 129 Cb -0.05 -0.55 1.56 0.00 -1.71 0.00 0.00 66.02 65.28 2wh2 s SER 129 CO 0.09 0.27 1.65 -0.65 1.20 0.00 0.00 173.24 175.80 2wh2 h PRO 130 N 4.76 0.05 0.00 5.44 0.11 -1.85 1.02 132.00 141.54 2wh2 h PRO 130 Ca -0.47 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.61 2wh2 h PRO 130 Cb 1.15 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 2wh2 h PRO 130 CO 0.47 0.03 -0.15 0.00 -0.21 0.00 0.00 178.00 178.14 2wh2 h ARG 131 N 0.05 0.00 -4.24 1.05 3.08 -1.95 -3.36 114.38 109.01 2wh2 h ARG 131 Ca 0.81 0.00 -0.72 0.00 0.07 0.00 0.00 59.98 60.14 2wh2 h ARG 131 Cb 2.94 0.00 -0.32 0.00 0.08 0.00 0.00 29.97 32.67 2wh2 h ARG 131 CO -0.18 0.15 -0.41 -0.80 -1.07 0.00 0.00 179.97 177.66 2wh2 s ASN 132 N -6.58 5.56 -0.89 7.04 0.01 0.35 -4.99 114.94 115.44 2wh2 s ASN 132 Ca -0.03 -2.11 -0.00 0.00 -0.71 0.00 0.00 52.86 50.00 2wh2 s ASN 132 Cb 0.14 -1.95 0.27 0.00 0.41 0.00 0.00 41.25 40.13 2wh2 s ASN 132 CO 0.64 -0.60 1.06 -0.38 -1.51 0.00 0.00 177.10 176.31 2wh2 n ILE 133 N 4.59 3.77 -0.39 0.60 5.41 -1.26 -4.38 119.36 127.70 2wh2 n ILE 133 Ca -0.03 -5.48 -0.14 0.00 1.00 0.00 0.00 62.75 58.09 2wh2 n ILE 133 Cb 0.41 -2.18 -0.04 0.00 -0.71 0.00 0.00 39.64 37.12 2wh2 n ILE 133 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 2wh2 n PRO 134 N 1.46 0.00 0.00 0.38 -0.04 -1.26 -4.81 135.00 130.73 2wh2 n PRO 134 Ca 0.26 -0.51 0.00 0.00 -0.04 0.00 0.00 63.50 63.21 2wh2 n PRO 134 Cb 0.37 -1.85 0.00 0.00 -0.04 0.00 0.00 33.50 31.97 2wh2 n PRO 134 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2wh2 n GLU 135 N 5.34 0.00 -1.18 0.54 2.13 -1.26 -4.57 120.64 121.64 2wh2 n GLU 135 Ca 0.15 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.97 2wh2 n GLU 135 Cb 0.17 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.88 2wh2 n GLU 135 CO 0.00 0.00 0.00 1.97 -0.41 0.00 0.00 177.13 178.69 2wh2 n PHE 136 N -2.08 -0.81 -4.00 4.31 1.16 -1.26 -4.33 117.46 110.46 2wh2 n PHE 136 Ca 0.00 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.49 2wh2 n PHE 136 Cb 0.00 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 37.81 2wh2 n PHE 136 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 2wh2 s ILE 137 N -2.81 0.01 0.04 1.97 1.01 -1.26 -4.89 121.20 115.27 2wh2 s ILE 137 Ca 0.00 -1.42 0.04 0.00 0.00 0.00 0.00 60.65 59.27 2wh2 s ILE 137 Cb 0.00 -2.15 -0.04 0.00 0.01 0.00 0.00 42.46 40.28 2wh2 s ILE 137 CO 0.00 -0.04 -0.05 -1.61 0.00 0.00 0.00 174.94 173.24 2wh2 s GLU 138 N -4.02 2.51 -0.51 2.79 0.41 -1.26 -3.25 118.70 115.37 2wh2 s GLU 138 Ca 0.22 -0.79 0.07 0.00 -0.41 0.00 0.00 54.97 54.06 2wh2 s GLU 138 Cb 0.00 -2.50 0.19 0.00 -1.78 0.00 0.00 34.13 30.04 2wh2 s GLU 138 CO 0.08 0.57 0.74 0.08 -0.49 0.00 0.00 175.26 176.23 2wh2 s VAL 139 N -1.13 -0.98 0.19 2.63 1.01 -1.21 -4.43 120.40 116.48 2wh2 s VAL 139 Ca 0.20 -0.95 -0.12 0.00 0.00 0.00 0.00 61.98 61.11 2wh2 s VAL 139 Cb -0.11 0.00 0.10 0.00 0.00 0.00 0.00 36.38 36.37 2wh2 s VAL 139 CO 0.12 0.00 1.81 -2.24 0.00 0.00 0.00 175.10 174.79 2wh2 h ASP 140 N 5.04 0.80 -3.96 3.32 -0.00 -1.56 -3.35 116.42 116.71 2wh2 h ASP 140 Ca 0.06 -0.09 0.00 0.00 -0.00 0.00 0.00 57.03 57.00 2wh2 h ASP 140 Cb 1.11 -0.20 0.00 0.00 -0.00 0.00 0.00 39.33 40.24 2wh2 h ASP 140 CO 0.01 0.65 0.00 0.55 -0.00 0.00 0.00 179.24 180.45 2wh2 n VAL 141 N -4.55 -0.40 -1.97 4.15 3.14 -1.26 -3.67 118.33 113.77 2wh2 n VAL 141 Ca 0.05 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.43 2wh2 n VAL 141 Cb 0.08 -1.56 0.00 0.00 -1.06 0.00 0.00 33.84 31.30 2wh2 n VAL 141 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 2wh2 n SER 142 N 2.04 0.00 -0.00 6.55 7.64 -1.26 -2.28 113.62 126.31 2wh2 n SER 142 Ca 0.00 -1.00 0.06 0.00 1.01 0.00 0.00 58.87 58.94 2wh2 n SER 142 Cb 0.00 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.13 2wh2 n SER 142 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wh2 n GLY 143 N 0.00 -0.26 3.60 0.23 0.00 -1.26 -4.11 105.19 103.39 2wh2 n GLY 143 Ca 0.00 -0.30 -0.39 0.00 0.00 0.00 0.00 46.02 45.33 2wh2 n GLY 143 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wh2 s LEU 144 N -3.08 4.06 0.00 0.99 2.01 -1.26 -4.97 118.68 116.43 2wh2 s LEU 144 Ca 0.01 0.31 0.00 0.00 0.01 0.00 0.00 54.13 54.46 2wh2 s LEU 144 Cb 0.08 -2.48 0.00 0.00 0.01 0.00 0.00 46.19 43.80 2wh2 s LEU 144 CO 0.47 -0.22 0.00 1.21 1.01 0.00 0.00 176.35 178.82 2wh2 n GLU 145 N 5.39 3.57 0.00 1.70 0.00 -1.26 -3.39 120.64 126.65 2wh2 n GLU 145 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.09 2wh2 n GLU 145 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.94 2wh2 n GLU 145 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.13 177.57 2wh2 n ILE 146 N 0.00 0.00 0.28 6.31 -5.35 -1.26 -4.20 119.36 115.15 2wh2 n ILE 146 Ca 0.00 0.50 0.18 0.00 -0.27 0.00 0.00 62.75 63.16 2wh2 n ILE 146 Cb 0.00 -1.50 0.90 0.00 -1.74 0.00 0.00 39.64 37.30 2wh2 n ILE 146 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 2wh2 h GLY 147 N 0.00 0.00 -1.23 3.28 0.00 -1.98 -3.35 103.07 99.79 2wh2 h GLY 147 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 46.87 2wh2 h GLY 147 CO 0.00 0.00 0.20 0.99 0.00 0.00 0.00 176.54 177.73 2wh2 s ASP 148 N -4.94 4.25 -0.30 0.19 1.01 -1.26 -5.02 116.67 110.60 2wh2 s ASP 148 Ca -0.04 0.03 -0.17 0.00 0.71 0.00 0.00 52.55 53.09 2wh2 s ASP 148 Cb 0.12 -0.44 0.20 0.00 1.01 0.00 0.00 42.92 43.81 2wh2 s ASP 148 CO 0.39 -1.95 1.25 -0.55 0.21 0.00 0.00 175.17 174.51 2wh2 s SER 149 N -4.69 -0.10 0.38 0.27 0.15 -1.26 -3.97 113.70 104.49 2wh2 s SER 149 Ca 0.66 0.15 0.02 0.00 0.70 0.00 0.00 55.95 57.48 2wh2 s SER 149 Cb -0.07 1.06 -0.02 0.00 -1.71 0.00 0.00 66.02 65.29 2wh2 s SER 149 CO 0.46 -0.02 0.57 -1.48 1.20 0.00 0.00 173.24 173.97 2wh2 s LEU 150 N 1.32 3.87 0.00 3.45 -0.00 -1.25 -5.01 118.68 121.05 2wh2 s LEU 150 Ca -0.06 0.23 0.00 0.00 -0.00 0.00 0.00 54.13 54.30 2wh2 s LEU 150 Cb -0.02 -3.11 0.00 0.00 -0.00 0.00 0.00 46.19 43.06 2wh2 s LEU 150 CO -0.12 -0.48 0.00 0.00 -0.00 0.00 0.00 176.35 175.75 2wh2 n HIS 151 N -1.86 0.00 0.00 3.48 1.44 -1.26 -3.74 115.22 113.28 2wh2 n HIS 151 Ca -0.02 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.69 2wh2 n HIS 151 Cb 0.57 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.68 2wh2 n HIS 151 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2wh2 n ALA 152 N -2.61 0.00 -3.01 1.59 0.00 -1.20 -3.73 120.51 111.55 2wh2 n ALA 152 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 53.00 2wh2 n ALA 152 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 2wh2 n ALA 152 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2wh2 s SER 153 N -1.26 6.24 0.00 0.00 0.15 -1.26 -4.55 113.70 113.02 2wh2 s SER 153 Ca 0.00 -1.38 0.00 0.00 0.70 0.00 0.00 55.95 55.27 2wh2 s SER 153 Cb 0.00 -2.35 0.00 0.00 -1.71 0.00 0.00 66.02 61.96 2wh2 s SER 153 CO 0.00 -1.21 0.01 0.47 1.20 0.00 0.00 173.24 173.71 2wh2 n ASP 154 N 6.76 0.00 -4.87 5.45 8.00 -1.24 -5.12 116.55 125.53 2wh2 n ASP 154 Ca -0.04 -1.00 -0.23 0.00 0.71 0.00 0.00 54.79 54.23 2wh2 n ASP 154 Cb 0.44 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.52 2wh2 n ASP 154 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2wh2 s LEU 155 N 0.00 3.14 -0.25 0.64 1.02 -1.26 -4.91 118.68 117.05 2wh2 s LEU 155 Ca 0.00 -0.94 -0.07 0.00 0.02 0.00 0.00 54.13 53.14 2wh2 s LEU 155 Cb 0.00 -1.70 -0.02 0.00 0.02 0.00 0.00 46.19 44.49 2wh2 s LEU 155 CO 0.00 -0.81 0.05 -0.54 0.02 0.00 0.00 176.35 175.07 2wh2 s LYS 156 N -4.17 3.52 -0.99 1.70 1.02 -1.26 -5.05 119.74 114.51 2wh2 s LYS 156 Ca 0.44 -0.56 -0.19 0.00 0.02 0.00 0.00 55.97 55.68 2wh2 s LYS 156 Cb -0.02 -3.28 0.12 0.00 -0.52 0.00 0.00 37.83 34.14 2wh2 s LYS 156 CO 0.26 -0.23 1.22 -0.51 -0.92 0.00 0.00 175.35 175.17 2wh2 s LEU 157 N 1.57 4.83 1.06 3.17 1.43 -1.26 -4.80 118.68 124.68 2wh2 s LEU 157 Ca 0.06 -2.10 -0.15 0.00 -1.03 0.00 0.00 54.13 50.90 2wh2 s LEU 157 Cb -0.15 -2.43 0.12 0.00 0.03 0.00 0.00 46.19 43.76 2wh2 s LEU 157 CO 0.02 -1.08 0.39 -0.81 0.23 0.00 0.00 176.35 175.10 2wh2 n PRO 158 N 6.77 -1.24 -1.53 1.29 -0.04 -1.26 -4.73 135.00 134.25 2wh2 n PRO 158 Ca 0.27 -0.33 -0.43 0.00 -0.04 0.00 0.00 63.50 62.97 2wh2 n PRO 158 Cb 0.48 -1.88 -0.05 0.00 -0.04 0.00 0.00 33.50 32.02 2wh2 n PRO 158 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 2wh2 n PRO 159 N -2.59 1.31 0.00 0.54 -0.02 -1.26 -2.14 135.00 130.83 2wh2 n PRO 159 Ca 0.04 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 2wh2 n PRO 159 Cb 0.57 -2.97 0.00 0.00 -0.02 0.00 0.00 33.50 31.09 2wh2 n PRO 159 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wh2 n GLY 160 N 6.11 1.39 2.54 -1.23 0.00 -1.26 -5.09 105.19 107.66 2wh2 n GLY 160 Ca 0.38 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.11 2wh2 n GLY 160 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wh2 s VAL 161 N -2.00 -0.01 0.08 1.61 1.01 -0.91 -4.43 120.40 115.76 2wh2 s VAL 161 Ca 0.00 -0.86 0.04 0.00 0.00 0.00 0.00 61.98 61.16 2wh2 s VAL 161 Cb 0.00 -1.02 -0.04 0.00 0.00 0.00 0.00 36.38 35.32 2wh2 s VAL 161 CO 0.00 -0.75 0.01 -0.70 0.00 0.00 0.00 175.10 173.67 2wh2 s GLU 162 N 2.00 2.62 0.17 2.72 2.12 -1.14 -4.52 118.70 122.68 2wh2 s GLU 162 Ca 0.10 -0.80 -0.30 0.00 0.36 0.00 0.00 54.97 54.33 2wh2 s GLU 162 Cb -0.17 -2.58 -0.07 0.00 0.26 0.00 0.00 34.13 31.57 2wh2 s GLU 162 CO -0.34 0.55 1.04 -1.17 -0.54 0.00 0.00 175.26 174.80 2wh2 s LEU 163 N -2.29 4.52 -0.78 2.70 2.96 -1.26 -2.13 118.68 122.40 2wh2 s LEU 163 Ca 0.26 2.00 0.03 0.00 -0.22 0.00 0.00 54.13 56.20 2wh2 s LEU 163 Cb -0.12 -3.60 0.25 0.00 0.50 0.00 0.00 46.19 43.22 2wh2 s LEU 163 CO 0.19 -0.12 0.89 0.00 -1.32 0.00 0.00 176.35 175.99 2wh2 n ALA 164 N 2.28 4.22 -2.48 5.97 0.00 -1.21 -4.91 120.51 124.38 2wh2 n ALA 164 Ca 0.02 -4.74 0.00 0.00 0.00 0.00 0.00 53.44 48.72 2wh2 n ALA 164 Cb 0.47 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.58 2wh2 n ALA 164 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2wh2 n VAL 165 N 1.26 0.00 0.00 0.00 0.31 -1.26 -4.90 118.33 113.74 2wh2 n VAL 165 Ca 0.27 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.60 2wh2 n VAL 165 Cb 0.38 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.31 2wh2 n VAL 165 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2wh2 n SER 166 N 0.00 1.03 -4.59 4.52 3.41 -1.26 -5.00 113.62 111.74 2wh2 n SER 166 Ca 0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.31 2wh2 n SER 166 Cb 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.85 2wh2 n SER 166 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 2wh2 s PRO 167 N -1.92 2.22 0.00 4.33 0.04 -1.26 -5.06 135.00 133.35 2wh2 s PRO 167 Ca 0.00 -0.97 0.00 0.00 0.04 0.00 0.00 61.00 60.07 2wh2 s PRO 167 Cb 0.00 -2.35 0.00 0.00 0.04 0.00 0.00 34.50 32.19 2wh2 s PRO 167 CO 0.00 0.52 0.00 0.39 0.04 0.00 0.00 177.00 177.95 2wh2 n GLU 168 N 0.81 2.68 -1.44 4.56 4.71 -1.26 -4.46 120.64 126.25 2wh2 n GLU 168 Ca -0.13 0.00 -0.47 0.00 -0.01 0.00 0.00 57.16 56.54 2wh2 n GLU 168 Cb 0.52 -0.22 -0.10 0.00 -1.01 0.00 0.00 31.44 30.63 2wh2 n GLU 168 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 2wh2 n GLU 169 N 0.00 0.50 -1.17 3.49 4.07 -1.26 -4.34 120.64 121.93 2wh2 n GLU 169 Ca 0.00 0.09 -0.39 0.00 -0.06 0.00 0.00 57.16 56.80 2wh2 n GLU 169 Cb 0.00 -2.10 -0.08 0.00 -0.06 0.00 0.00 31.44 29.20 2wh2 n GLU 169 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 2wh2 n THR 170 N 7.27 1.24 0.00 6.31 -2.24 -1.26 -3.23 114.28 122.37 2wh2 n THR 170 Ca 0.51 -1.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.16 2wh2 n THR 170 Cb 0.16 -2.19 0.00 0.00 -2.10 0.00 0.00 70.33 66.20 2wh2 n THR 170 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 2wh2 n ILE 171 N 6.79 0.06 0.00 2.28 -5.35 -1.25 -4.60 119.36 117.29 2wh2 n ILE 171 Ca 0.48 0.10 0.00 0.00 -0.27 0.00 0.00 62.75 63.06 2wh2 n ILE 171 Cb 0.42 -1.10 0.00 0.00 -1.74 0.00 0.00 39.64 37.22 2wh2 n ILE 171 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2wh2 n ALA 172 N -0.68 0.00 -3.83 -1.28 0.00 -1.18 -3.95 120.51 109.60 2wh2 n ALA 172 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 2wh2 n ALA 172 Cb 0.08 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.54 2wh2 n ALA 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wh2 s ALA 173 N -2.00 -1.02 -0.03 0.00 0.00 -0.48 -3.82 121.76 114.42 2wh2 s ALA 173 Ca 0.00 -0.54 0.07 0.00 0.00 0.00 0.00 51.96 51.49 2wh2 s ALA 173 Cb 0.00 0.73 -0.02 0.00 0.00 0.00 0.00 23.12 23.83 2wh2 s ALA 173 CO 0.00 -1.01 -0.23 0.08 0.00 0.00 0.00 175.76 174.60 2wh2 s VAL 174 N -2.77 1.82 0.06 0.00 1.01 -1.25 0.70 120.40 119.97 2wh2 s VAL 174 Ca 0.15 -0.98 0.03 0.00 0.00 0.00 0.00 61.98 61.18 2wh2 s VAL 174 Cb -0.05 -1.52 -0.03 0.00 0.00 0.00 0.00 36.38 34.78 2wh2 s VAL 174 CO 0.09 0.52 -0.09 0.68 0.00 0.00 0.00 175.10 176.30 2wh2 s VAL 175 N -0.43 0.68 0.59 2.92 -7.23 -0.72 -4.42 120.40 111.80 2wh2 s VAL 175 Ca 0.06 -1.33 -0.20 0.00 -1.81 0.00 0.00 61.98 58.70 2wh2 s VAL 175 Cb -0.10 -0.94 -0.03 0.00 0.56 0.00 0.00 36.38 35.87 2wh2 s VAL 175 CO 0.00 -0.47 1.32 -2.16 -0.31 0.00 0.00 175.10 173.48 2wh2 s PRO 176 N -2.14 2.87 0.00 4.82 0.04 -1.26 0.15 135.00 139.48 2wh2 s PRO 176 Ca -0.03 2.14 0.00 0.00 0.04 0.00 0.00 61.00 63.15 2wh2 s PRO 176 Cb -0.06 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.42 2wh2 s PRO 176 CO -0.00 -1.38 0.00 -0.35 0.04 0.00 0.00 177.00 175.31 2wh2 n PRO 177 N -1.44 2.99 -3.78 0.56 -0.04 -1.26 -4.79 135.00 127.23 2wh2 n PRO 177 Ca 0.13 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.40 2wh2 n PRO 177 Cb 0.47 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.87 2wh2 n PRO 177 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2wh2 n GLU 178 N 0.00 0.73 0.00 0.54 -0.58 -1.26 -5.04 120.64 115.03 2wh2 n GLU 178 Ca 0.00 -2.54 0.00 0.00 -0.42 0.00 0.00 57.16 54.20 2wh2 n GLU 178 Cb 0.00 1.29 0.00 0.00 -0.57 0.00 0.00 31.44 32.16 2wh2 n GLU 178 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40