#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wh2 s LYS 2 N 0.00 4.44 0.02 3.17 -0.14 -1.26 -1.11 119.74 124.87 2wh2 s LYS 2 Ca 0.00 1.03 0.04 0.00 -1.36 0.00 0.00 55.97 55.68 2wh2 s LYS 2 Cb 0.00 -3.47 -0.02 0.00 -1.68 0.00 0.00 37.83 32.66 2wh2 s LYS 2 CO 0.00 -0.03 -0.11 0.14 -0.76 0.00 0.00 175.35 174.59 2wh2 s VAL 3 N 1.08 0.84 0.03 3.17 -7.23 -0.12 -2.65 120.40 115.53 2wh2 s VAL 3 Ca 0.41 -0.79 -0.12 0.00 -1.81 0.00 0.00 61.98 59.67 2wh2 s VAL 3 Cb -0.18 -0.77 -0.05 0.00 0.56 0.00 0.00 36.38 35.93 2wh2 s VAL 3 CO 0.20 -0.01 1.19 -0.29 -0.31 0.00 0.00 175.10 175.87 2wh2 h ILE 4 N 4.65 0.00 -0.94 -0.62 6.09 0.42 -2.54 117.51 124.57 2wh2 h ILE 4 Ca -0.35 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.14 2wh2 h ILE 4 Cb 1.18 0.00 0.00 0.00 0.47 0.00 0.00 36.82 38.47 2wh2 h ILE 4 CO 0.45 0.00 0.00 -0.11 -3.07 0.00 0.00 178.15 175.42 2wh2 n LEU 5 N -3.43 -0.76 -1.94 2.19 7.94 -1.24 -3.74 117.00 116.02 2wh2 n LEU 5 Ca -0.04 0.00 -0.06 0.00 -1.11 0.00 0.00 56.01 54.81 2wh2 n LEU 5 Cb 0.15 -0.38 0.30 0.00 0.53 0.00 0.00 43.42 44.02 2wh2 n LEU 5 CO 0.07 0.00 1.02 0.18 -1.11 0.00 0.00 177.39 177.55 2wh2 n LEU 6 N 0.00 5.97 -3.62 -1.96 4.77 -0.67 -1.08 117.00 120.41 2wh2 n LEU 6 Ca 0.00 -3.25 -0.06 0.00 -0.03 0.00 0.00 56.01 52.67 2wh2 n LEU 6 Cb 0.00 -0.74 -0.05 0.00 -2.33 0.00 0.00 43.42 40.30 2wh2 n LEU 6 CO 0.00 0.83 0.98 -1.61 -1.33 0.00 0.00 177.39 176.25 2wh2 s GLU 7 N -3.01 0.30 0.82 3.23 2.02 -1.25 -4.94 118.70 115.86 2wh2 s GLU 7 Ca 0.55 0.13 -0.11 0.00 0.02 0.00 0.00 54.97 55.56 2wh2 s GLU 7 Cb 0.44 0.14 0.08 0.00 0.10 0.00 0.00 34.13 34.89 2wh2 s GLU 7 CO 0.13 -0.08 1.10 -2.14 0.02 0.00 0.00 175.26 174.29 2wh2 s PRO 8 N -0.75 1.86 -0.00 0.39 0.02 -1.22 -4.58 135.00 130.72 2wh2 s PRO 8 Ca 0.04 1.16 -0.02 0.00 0.02 0.00 0.00 61.00 62.20 2wh2 s PRO 8 Cb -0.02 -1.85 -0.01 0.00 0.02 0.00 0.00 34.50 32.64 2wh2 s PRO 8 CO -0.06 -1.92 0.04 -0.51 -0.33 0.00 0.00 177.00 174.22 2wh2 s LEU 9 N -6.09 1.92 0.16 -5.54 1.43 -1.16 -5.01 118.68 104.38 2wh2 s LEU 9 Ca 0.62 -0.19 -0.10 0.00 -1.03 0.00 0.00 54.13 53.43 2wh2 s LEU 9 Cb -0.18 0.24 0.19 0.00 0.03 0.00 0.00 46.19 46.47 2wh2 s LEU 9 CO 0.57 -0.20 1.00 1.21 0.23 0.00 0.00 176.35 179.16 2wh2 n GLU 10 N 2.17 -0.13 -0.00 1.70 4.07 -1.26 -2.01 120.64 125.19 2wh2 n GLU 10 Ca -0.19 0.99 0.04 0.00 -0.06 0.00 0.00 57.16 57.95 2wh2 n GLU 10 Cb 0.57 -1.48 -0.06 0.00 -0.06 0.00 0.00 31.44 30.42 2wh2 n GLU 10 CO 0.00 0.00 0.00 0.27 -0.06 0.00 0.00 177.13 177.34 2wh2 n ASN 11 N -4.97 1.74 -4.92 4.31 0.23 -1.26 -5.03 115.26 105.36 2wh2 n ASN 11 Ca 0.07 -0.34 -0.27 0.00 -0.53 0.00 0.00 54.58 53.51 2wh2 n ASN 11 Cb 0.27 1.20 -0.03 0.00 -2.08 0.00 0.00 39.78 39.14 2wh2 n ASN 11 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 2wh2 s LEU 12 N -3.00 4.15 1.02 -4.53 1.43 -0.85 -5.08 118.68 111.82 2wh2 s LEU 12 Ca -0.00 0.48 -0.16 0.00 -1.03 0.00 0.00 54.13 53.42 2wh2 s LEU 12 Cb 0.06 -3.28 0.10 0.00 0.03 0.00 0.00 46.19 43.09 2wh2 s LEU 12 CO 0.35 -0.13 -0.03 0.61 0.23 0.00 0.00 176.35 177.37 2wh2 n GLY 13 N -0.96 -2.49 0.00 -3.19 0.00 -1.26 -3.00 105.19 94.29 2wh2 n GLY 13 Ca -0.04 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.29 2wh2 n GLY 13 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2wh2 n ASP 14 N -0.63 0.00 -4.65 1.61 2.03 -1.26 -3.42 116.55 110.24 2wh2 n ASP 14 Ca 0.03 0.00 -0.26 0.00 0.52 0.00 0.00 54.79 55.08 2wh2 n ASP 14 Cb 0.47 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.78 2wh2 n ASP 14 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2wh2 s VAL 15 N 0.00 2.28 0.00 5.18 1.01 -1.26 -3.41 120.40 124.20 2wh2 s VAL 15 Ca 0.00 -1.94 0.00 0.00 0.00 0.00 0.00 61.98 60.04 2wh2 s VAL 15 Cb 0.00 -2.90 0.00 0.00 0.00 0.00 0.00 36.38 33.48 2wh2 s VAL 15 CO 0.00 -0.08 0.00 0.61 0.00 0.00 0.00 175.10 175.63 2wh2 n GLY 16 N -1.02 0.57 3.65 4.51 0.00 -0.24 -4.88 105.19 107.77 2wh2 n GLY 16 Ca -0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 2wh2 n GLY 16 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wh2 s GLN 17 N 0.00 4.03 -0.12 1.61 -0.21 -1.25 -4.89 119.66 118.83 2wh2 s GLN 17 Ca 0.00 1.82 -0.30 0.00 0.02 0.00 0.00 55.36 56.90 2wh2 s GLN 17 Cb 0.00 -3.95 -0.01 0.00 1.00 0.00 0.00 33.01 30.05 2wh2 s GLN 17 CO 0.00 -1.01 1.05 0.08 -2.12 0.00 0.00 175.29 173.30 2wh2 s VAL 18 N 4.39 4.66 0.12 1.09 1.01 -1.25 -4.45 120.40 125.98 2wh2 s VAL 18 Ca 0.68 1.95 0.05 0.00 0.00 0.00 0.00 61.98 64.65 2wh2 s VAL 18 Cb -0.27 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 31.82 2wh2 s VAL 18 CO 0.26 -0.03 -0.12 0.54 0.00 0.00 0.00 175.10 175.75 2wh2 s VAL 19 N 2.28 1.18 -0.34 2.92 0.11 -0.96 -4.91 120.40 120.67 2wh2 s VAL 19 Ca 0.49 -1.81 -0.14 0.00 -2.93 0.00 0.00 61.98 57.60 2wh2 s VAL 19 Cb -0.19 -1.58 -0.01 0.00 -1.53 0.00 0.00 36.38 33.06 2wh2 s VAL 19 CO 0.17 -0.56 0.29 -0.62 -3.33 0.00 0.00 175.10 171.04 2wh2 s ASP 20 N -2.68 6.10 0.32 3.54 -1.08 -1.26 -0.94 116.67 120.67 2wh2 s ASP 20 Ca 0.10 -0.37 0.06 0.00 -0.52 0.00 0.00 52.55 51.82 2wh2 s ASP 20 Cb -0.02 -2.16 -0.06 0.00 -1.46 0.00 0.00 42.92 39.22 2wh2 s ASP 20 CO 0.02 -0.28 -0.00 0.68 0.52 0.00 0.00 175.17 176.10 2wh2 s VAL 21 N 1.83 1.52 0.13 1.11 -7.23 -0.26 -4.80 120.40 112.70 2wh2 s VAL 21 Ca 0.08 -2.06 -0.31 0.00 -1.81 0.00 0.00 61.98 57.88 2wh2 s VAL 21 Cb -0.17 -2.66 -0.10 0.00 0.56 0.00 0.00 36.38 34.00 2wh2 s VAL 21 CO 0.11 -0.14 1.80 -0.54 -0.31 0.00 0.00 175.10 176.02 2wh2 s LYS 22 N -3.79 4.14 0.09 4.82 -0.14 -1.26 0.18 119.74 123.77 2wh2 s LYS 22 Ca 0.33 2.58 -0.18 0.00 -1.36 0.00 0.00 55.97 57.34 2wh2 s LYS 22 Cb 0.07 -3.51 -0.04 0.00 -1.68 0.00 0.00 37.83 32.66 2wh2 s LYS 22 CO 0.14 -0.82 1.31 -1.35 -0.76 0.00 0.00 175.35 173.87 2wh2 h PRO 23 N 8.28 -0.04 -1.33 -1.68 0.11 -1.99 0.25 132.00 135.60 2wh2 h PRO 23 Ca -0.45 0.00 0.41 0.00 0.11 0.00 0.00 66.00 66.07 2wh2 h PRO 23 Cb 1.21 0.01 -0.11 0.00 0.11 0.00 0.00 31.00 32.23 2wh2 h PRO 23 CO 0.95 -0.03 0.89 0.78 -0.21 0.00 0.00 178.00 180.38 2wh2 h GLY 24 N -0.04 0.96 0.68 -0.55 0.00 -1.98 0.36 103.07 102.50 2wh2 h GLY 24 Ca 0.08 -0.10 -0.00 0.00 0.00 0.00 0.00 47.33 47.30 2wh2 h GLY 24 CO -0.49 -0.25 -0.05 -1.82 0.00 0.00 0.00 176.54 173.93 2wh2 h TYR 25 N 0.12 -0.13 -0.28 5.60 -0.00 -0.89 -1.85 116.97 119.55 2wh2 h TYR 25 Ca 0.76 -0.00 -0.12 0.00 -0.00 0.00 0.00 58.73 59.37 2wh2 h TYR 25 Cb 2.47 0.04 -0.00 0.00 -0.00 0.00 0.00 36.73 39.24 2wh2 h TYR 25 CO -0.00 0.20 -0.29 0.00 -0.00 0.00 0.00 178.16 178.06 2wh2 h ALA 26 N 0.40 0.41 -0.49 1.82 0.00 -0.12 -1.65 119.26 119.63 2wh2 h ALA 26 Ca -0.01 -0.40 0.03 0.00 0.00 0.00 0.00 54.91 54.53 2wh2 h ALA 26 Cb 0.38 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 2wh2 h ALA 26 CO 0.02 0.43 0.26 -0.09 0.00 0.00 0.00 179.25 179.87 2wh2 h ARG 27 N 0.42 0.51 -0.08 0.00 2.43 -0.48 -2.60 114.38 114.57 2wh2 h ARG 27 Ca 0.04 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 2wh2 h ARG 27 Cb 0.86 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.30 2wh2 h ARG 27 CO 0.07 0.34 0.00 0.09 -1.51 0.00 0.00 179.97 178.96 2wh2 n ASN 28 N -4.86 2.49 0.00 -3.80 3.02 -0.70 -4.32 115.26 107.09 2wh2 n ASN 28 Ca 0.04 -1.72 0.00 0.00 -0.03 0.00 0.00 54.58 52.86 2wh2 n ASN 28 Cb 0.10 -0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.23 2wh2 n ASN 28 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wh2 n TYR 29 N 0.93 0.00 0.00 3.10 9.36 -0.63 -4.79 117.16 125.13 2wh2 n TYR 29 Ca 0.10 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.32 2wh2 n TYR 29 Cb 0.42 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.13 2wh2 n TYR 29 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 2wh2 n LEU 30 N -0.43 0.00 -0.43 2.98 4.77 -1.17 -0.23 117.00 122.49 2wh2 n LEU 30 Ca 0.00 0.00 0.37 0.00 -0.03 0.00 0.00 56.01 56.35 2wh2 n LEU 30 Cb 0.00 0.00 0.62 0.00 -2.33 0.00 0.00 43.42 41.71 2wh2 n LEU 30 CO 0.00 0.00 1.11 -0.11 -1.33 0.00 0.00 177.39 177.06 2wh2 n LEU 31 N 0.00 0.19 0.33 2.23 7.94 -0.98 -0.80 117.00 125.91 2wh2 n LEU 31 Ca 0.00 1.25 -0.14 0.00 -1.11 0.00 0.00 56.01 56.02 2wh2 n LEU 31 Cb 0.00 -0.62 -0.06 0.00 0.53 0.00 0.00 43.42 43.27 2wh2 n LEU 31 CO 0.00 -1.36 0.36 -0.65 -1.11 0.00 0.00 177.39 174.63 2wh2 h PRO 32 N 0.00 -0.86 0.00 1.96 0.11 -1.53 -3.40 132.00 128.28 2wh2 h PRO 32 Ca 0.80 0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.97 2wh2 h PRO 32 Cb 2.58 0.19 0.00 0.00 0.11 0.00 0.00 31.00 33.89 2wh2 h PRO 32 CO -0.42 -0.57 0.00 0.54 -0.21 0.00 0.00 178.00 177.34 2wh2 n ARG 33 N -5.30 0.00 0.00 1.05 1.74 0.68 -4.94 116.66 109.89 2wh2 n ARG 33 Ca -0.11 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.97 2wh2 n ARG 33 Cb 0.35 -0.35 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 2wh2 n ARG 33 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wh2 n GLY 34 N 0.00 0.28 0.00 -0.13 0.00 -1.13 -5.08 105.19 99.13 2wh2 n GLY 34 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wh2 n GLY 34 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wh2 n LEU 35 N 0.00 0.00 -4.88 0.99 4.77 -1.24 -4.83 117.00 111.82 2wh2 n LEU 35 Ca 0.00 0.17 -0.23 0.00 -0.03 0.00 0.00 56.01 55.92 2wh2 n LEU 35 Cb 0.00 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 2wh2 n LEU 35 CO 0.00 0.00 0.02 0.00 -1.33 0.00 0.00 177.39 176.08 2wh2 s ALA 36 N -2.90 4.15 0.11 -1.18 0.00 -1.26 -1.68 121.76 119.00 2wh2 s ALA 36 Ca 0.00 -1.74 0.04 0.00 0.00 0.00 0.00 51.96 50.27 2wh2 s ALA 36 Cb 0.00 -0.87 -0.04 0.00 0.00 0.00 0.00 23.12 22.21 2wh2 s ALA 36 CO 0.00 -0.32 -0.11 0.08 0.00 0.00 0.00 175.76 175.41 2wh2 s VAL 37 N -2.59 1.05 0.28 0.00 1.01 -1.26 -3.18 120.40 115.71 2wh2 s VAL 37 Ca 0.44 -1.68 -0.30 0.00 0.00 0.00 0.00 61.98 60.44 2wh2 s VAL 37 Cb -0.02 -1.42 -0.13 0.00 0.00 0.00 0.00 36.38 34.80 2wh2 s VAL 37 CO 0.26 -0.53 1.31 -0.11 0.00 0.00 0.00 175.10 176.03 2wh2 n LEU 38 N 0.51 3.10 -3.28 3.92 -0.00 -1.26 0.98 117.00 120.98 2wh2 n LEU 38 Ca -0.16 1.17 -0.37 0.00 -0.00 0.00 0.00 56.01 56.65 2wh2 n LEU 38 Cb 0.58 -1.43 -0.01 0.00 -0.00 0.00 0.00 43.42 42.55 2wh2 n LEU 38 CO 0.27 -0.61 2.18 0.00 -0.00 0.00 0.00 177.39 179.23 2wh2 n ALA 39 N 1.08 6.70 -0.98 1.96 0.00 -1.08 -4.36 120.51 123.83 2wh2 n ALA 39 Ca 0.09 -3.89 -0.05 0.00 0.00 0.00 0.00 53.44 49.59 2wh2 n ALA 39 Cb 0.33 -2.60 0.06 0.00 0.00 0.00 0.00 19.45 17.24 2wh2 n ALA 39 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2wh2 n THR 40 N 1.43 0.00 0.07 0.00 -2.24 -1.26 -4.82 114.28 107.46 2wh2 n THR 40 Ca 0.59 -0.09 -0.23 0.00 -2.27 0.00 0.00 64.05 62.05 2wh2 n THR 40 Cb 0.31 -0.90 -0.15 0.00 -2.10 0.00 0.00 70.33 67.49 2wh2 n THR 40 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2wh2 h GLU 41 N 0.00 0.40 0.00 -0.78 4.81 -1.97 -2.82 114.58 114.21 2wh2 h GLU 41 Ca -0.10 -0.68 0.00 0.00 -0.13 0.00 0.00 59.36 58.46 2wh2 h GLU 41 Cb 0.30 0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.93 2wh2 h GLU 41 CO 0.06 1.32 0.00 1.03 -0.73 0.00 0.00 179.01 180.69 2wh2 h SER 42 N 0.11 0.00 0.00 1.04 0.87 -1.97 0.36 113.55 113.96 2wh2 h SER 42 Ca -0.35 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.21 2wh2 h SER 42 Cb 2.10 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 64.06 2wh2 h SER 42 CO 0.18 0.00 -0.80 0.59 -0.53 0.00 0.00 176.83 176.27 2wh2 n ASN 43 N -2.54 0.77 0.04 6.23 4.13 -1.24 -3.36 115.26 119.29 2wh2 n ASN 43 Ca -0.01 -0.83 0.08 0.00 1.68 0.00 0.00 54.58 55.50 2wh2 n ASN 43 Cb 0.12 1.04 -0.09 0.00 -1.54 0.00 0.00 39.78 39.31 2wh2 n ASN 43 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2wh2 n LEU 44 N -1.41 0.47 0.09 3.41 4.77 -0.14 -3.78 117.00 120.42 2wh2 n LEU 44 Ca 0.03 0.19 -0.14 0.00 -0.03 0.00 0.00 56.01 56.06 2wh2 n LEU 44 Cb 0.26 0.02 -0.13 0.00 -2.33 0.00 0.00 43.42 41.23 2wh2 n LEU 44 CO 0.32 -0.02 -0.00 0.11 -1.33 0.00 0.00 177.39 176.47 2wh2 h LYS 45 N 0.00 0.21 0.00 3.23 1.57 -0.52 -3.16 116.57 117.90 2wh2 h LYS 45 Ca -0.06 -0.36 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 2wh2 h LYS 45 Cb 1.17 0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.61 2wh2 h LYS 45 CO 0.01 1.17 0.00 0.00 -0.57 0.00 0.00 179.45 180.06 2wh2 n ALA 46 N -2.49 1.69 0.03 3.86 0.00 -1.21 -2.47 120.51 119.91 2wh2 n ALA 46 Ca -0.06 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.26 2wh2 n ALA 46 Cb 1.00 -1.30 -0.14 0.00 0.00 0.00 0.00 19.45 19.01 2wh2 n ALA 46 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2wh2 h LEU 47 N 0.00 0.15 -0.05 0.00 3.38 -1.64 -2.71 115.31 114.44 2wh2 h LEU 47 Ca 0.00 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.74 2wh2 h LEU 47 Cb 0.31 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2wh2 h LEU 47 CO 0.00 1.20 0.00 -0.62 0.09 0.00 0.00 178.44 179.11 2wh2 n GLU 48 N -3.27 0.02 -0.03 1.13 1.02 -1.03 -0.28 120.64 118.19 2wh2 n GLU 48 Ca -0.14 0.22 -0.21 0.00 -0.02 0.00 0.00 57.16 57.02 2wh2 n GLU 48 Cb 1.02 -1.53 -0.13 0.00 -0.02 0.00 0.00 31.44 30.78 2wh2 n GLU 48 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wh2 h ALA 49 N 2.56 0.22 0.00 0.62 0.00 -1.46 -3.08 119.26 118.12 2wh2 h ALA 49 Ca 0.00 -1.12 -0.03 0.00 0.00 0.00 0.00 54.91 53.76 2wh2 h ALA 49 Cb 0.30 0.55 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2wh2 h ALA 49 CO 0.00 0.78 -0.67 0.00 0.00 0.00 0.00 179.25 179.37 2wh2 h ARG 50 N -0.53 0.00 0.03 0.00 3.08 -1.30 -3.07 114.38 112.59 2wh2 h ARG 50 Ca -0.31 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.74 2wh2 h ARG 50 Cb 1.59 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.64 2wh2 h ARG 50 CO -0.03 0.09 -0.02 0.82 -1.07 0.00 0.00 179.97 179.77 2wh2 h ILE 51 N 0.00 0.14 0.29 2.04 1.08 -0.82 -3.00 117.51 117.24 2wh2 h ILE 51 Ca -0.02 -1.07 0.00 0.00 -0.39 0.00 0.00 64.86 63.39 2wh2 h ILE 51 Cb 1.12 0.26 -0.03 0.00 -3.07 0.00 0.00 36.82 35.09 2wh2 h ILE 51 CO 0.01 0.05 -0.42 0.03 -0.69 0.00 0.00 178.15 177.13 2wh2 h ARG 52 N -1.01 -0.74 -1.00 2.37 3.08 -1.71 0.31 114.38 115.67 2wh2 h ARG 52 Ca -0.00 0.05 0.15 0.00 0.07 0.00 0.00 59.98 60.25 2wh2 h ARG 52 Cb 0.11 0.17 -0.10 0.00 0.08 0.00 0.00 29.97 30.23 2wh2 h ARG 52 CO 0.01 -0.50 0.62 0.00 -1.07 0.00 0.00 179.97 179.03 2wh2 h ALA 53 N -0.39 1.59 -0.06 0.04 0.00 -1.72 0.44 119.26 119.15 2wh2 h ALA 53 Ca -0.01 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2wh2 h ALA 53 Cb 0.73 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2wh2 h ALA 53 CO -0.14 0.10 0.00 0.94 0.00 0.00 0.00 179.25 180.15 2wh2 n GLN 54 N -4.69 1.67 -0.09 0.00 7.27 -1.03 -2.45 117.38 118.05 2wh2 n GLN 54 Ca 0.21 -0.99 -0.12 0.00 0.07 0.00 0.00 57.00 56.17 2wh2 n GLN 54 Cb 0.46 -1.45 -0.15 0.00 2.41 0.00 0.00 30.24 31.51 2wh2 n GLN 54 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2wh2 n ALA 55 N 0.20 1.45 -1.09 1.69 0.00 0.12 -4.15 120.51 118.73 2wh2 n ALA 55 Ca 0.18 -1.17 0.01 0.00 0.00 0.00 0.00 53.44 52.46 2wh2 n ALA 55 Cb 0.34 -0.28 0.28 0.00 0.00 0.00 0.00 19.45 19.79 2wh2 n ALA 55 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2wh2 n LYS 56 N -2.94 3.16 -0.09 0.00 2.85 0.80 -3.51 118.16 118.42 2wh2 n LYS 56 Ca -0.34 -3.02 -0.16 0.00 -1.05 0.00 0.00 58.31 53.75 2wh2 n LYS 56 Cb 1.10 -2.00 -0.08 0.00 -0.65 0.00 0.00 35.03 33.40 2wh2 n LYS 56 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 2wh2 n ARG 57 N -0.42 0.44 -0.02 -1.58 0.63 -1.03 -3.97 116.66 110.72 2wh2 n ARG 57 Ca 0.31 0.13 -0.05 0.00 -0.92 0.00 0.00 57.85 57.32 2wh2 n ARG 57 Cb 1.11 -1.30 -0.04 0.00 0.45 0.00 0.00 32.46 32.68 2wh2 n ARG 57 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 2wh2 h LEU 58 N -0.27 -0.07 -1.96 6.15 5.85 -1.75 -2.90 115.31 120.36 2wh2 h LEU 58 Ca -0.44 -0.27 0.31 0.00 0.84 0.00 0.00 57.88 58.32 2wh2 h LEU 58 Cb 1.56 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 42.56 2wh2 h LEU 58 CO -0.16 0.54 0.80 0.00 -0.34 0.00 0.00 178.44 179.29 2wh2 h ALA 59 N -0.70 2.99 -0.16 1.25 0.00 -1.83 1.42 119.26 122.23 2wh2 h ALA 59 Ca -0.01 -0.04 -0.20 0.00 0.00 0.00 0.00 54.91 54.67 2wh2 h ALA 59 Cb 0.33 0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.21 2wh2 h ALA 59 CO 0.01 -1.35 -0.66 0.93 0.00 0.00 0.00 179.25 178.18 2wh2 h GLU 60 N 0.00 0.74 -0.35 0.00 5.08 -1.68 -3.09 114.58 115.28 2wh2 h GLU 60 Ca 0.51 -0.58 -0.14 0.00 -1.00 0.00 0.00 59.36 58.15 2wh2 h GLU 60 Cb 2.10 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 31.45 2wh2 h GLU 60 CO -0.01 1.19 -0.34 -0.09 -1.00 0.00 0.00 179.01 178.77 2wh2 h ARG 61 N 0.45 0.84 0.00 2.33 2.43 0.16 -3.00 114.38 117.60 2wh2 h ARG 61 Ca -0.04 -0.44 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 2wh2 h ARG 61 Cb 1.29 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.86 2wh2 h ARG 61 CO 0.14 1.08 0.22 -0.22 -1.51 0.00 0.00 179.97 179.68 2wh2 h LYS 62 N 0.63 0.00 0.00 0.20 3.64 1.00 0.15 116.57 122.19 2wh2 h LYS 62 Ca 0.06 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 59.12 2wh2 h LYS 62 Cb 0.92 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.69 2wh2 h LYS 62 CO 0.08 0.00 -1.97 0.00 -2.27 0.00 0.00 179.45 175.29 2wh2 n ALA 63 N -1.87 1.51 0.10 5.00 0.00 -1.14 -3.49 120.51 120.63 2wh2 n ALA 63 Ca -0.02 -0.99 -0.13 0.00 0.00 0.00 0.00 53.44 52.31 2wh2 n ALA 63 Cb 0.26 -0.59 -0.08 0.00 0.00 0.00 0.00 19.45 19.04 2wh2 n ALA 63 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2wh2 h GLU 64 N 0.00 -0.27 -0.63 0.00 5.08 -0.69 -2.46 114.58 115.61 2wh2 h GLU 64 Ca -0.39 0.02 0.12 0.00 -1.00 0.00 0.00 59.36 58.12 2wh2 h GLU 64 Cb 2.10 0.06 -0.09 0.00 0.50 0.00 0.00 28.75 31.32 2wh2 h GLU 64 CO 0.06 0.09 0.13 0.00 -1.00 0.00 0.00 179.01 178.28 2wh2 h ALA 65 N -0.06 0.76 0.00 3.43 0.00 -1.44 0.89 119.26 122.84 2wh2 h ALA 65 Ca -0.03 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2wh2 h ALA 65 Cb 0.49 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2wh2 h ALA 65 CO 0.05 -0.32 0.00 1.49 0.00 0.00 0.00 179.25 180.47 2wh2 h GLU 66 N 0.25 0.00 0.01 0.00 4.57 -1.57 -2.66 114.58 115.18 2wh2 h GLU 66 Ca 0.34 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.52 2wh2 h GLU 66 Cb 0.52 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.11 2wh2 h GLU 66 CO -0.44 0.00 -0.01 -0.09 -1.18 0.00 0.00 179.01 177.30 2wh2 h ARG 67 N 0.00 -0.01 -1.01 1.92 2.43 0.13 -3.28 114.38 114.56 2wh2 h ARG 67 Ca 0.00 0.00 0.29 0.00 -0.81 0.00 0.00 59.98 59.46 2wh2 h ARG 67 Cb 0.04 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.56 2wh2 h ARG 67 CO 0.00 0.02 0.72 -0.07 -1.51 0.00 0.00 179.97 179.14 2wh2 h LEU 68 N -1.00 0.02 -0.94 3.80 3.38 -1.32 0.98 115.31 120.22 2wh2 h LEU 68 Ca -0.00 0.00 0.23 0.00 0.09 0.00 0.00 57.88 58.21 2wh2 h LEU 68 Cb 0.05 -0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.67 2wh2 h LEU 68 CO 0.00 0.01 0.48 0.50 0.09 0.00 0.00 178.44 179.52 2wh2 h LYS 69 N 0.02 0.46 0.26 1.13 3.64 -1.53 -0.77 116.57 119.77 2wh2 h LYS 69 Ca 0.48 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.83 2wh2 h LYS 69 Cb 1.90 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 33.59 2wh2 h LYS 69 CO -0.02 0.30 -0.42 0.93 -2.27 0.00 0.00 179.45 177.97 2wh2 h GLU 70 N 0.47 -0.69 0.52 1.90 4.39 0.91 -1.42 114.58 120.66 2wh2 h GLU 70 Ca 0.60 0.05 -0.03 0.00 0.34 0.00 0.00 59.36 60.32 2wh2 h GLU 70 Cb 1.15 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.97 2wh2 h GLU 70 CO -0.51 -0.46 -0.25 0.97 -1.16 0.00 0.00 179.01 177.60 2wh2 h ILE 71 N -0.72 0.00 -0.93 3.13 2.10 -1.33 -2.62 117.51 117.14 2wh2 h ILE 71 Ca -0.03 0.00 0.21 0.00 1.08 0.00 0.00 64.86 66.12 2wh2 h ILE 71 Cb 0.67 0.00 -0.17 0.00 -1.09 0.00 0.00 36.82 36.22 2wh2 h ILE 71 CO -0.14 0.00 -0.12 -0.07 -1.08 0.00 0.00 178.15 176.74 2wh2 h LEU 72 N -0.71 -0.69 0.49 2.19 -0.00 -1.24 0.23 115.31 115.59 2wh2 h LEU 72 Ca -0.07 0.27 -0.02 0.00 -0.00 0.00 0.00 57.88 58.05 2wh2 h LEU 72 Cb 0.54 0.52 0.00 0.00 -0.00 0.00 0.00 40.66 41.73 2wh2 h LEU 72 CO 0.12 -0.31 -0.23 -0.33 -0.00 0.00 0.00 178.44 177.69 2wh2 h GLU 73 N 0.02 -0.63 0.00 1.13 4.39 -1.29 -3.08 114.58 115.12 2wh2 h GLU 73 Ca 0.49 0.04 0.00 0.00 0.34 0.00 0.00 59.36 60.23 2wh2 h GLU 73 Cb 0.86 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.65 2wh2 h GLU 73 CO -0.91 -0.42 0.00 -1.71 -1.16 0.00 0.00 179.01 174.81 2wh2 n ASN 74 N -3.96 0.00 -4.13 1.42 5.15 -0.96 -4.74 115.26 108.05 2wh2 n ASN 74 Ca -0.08 -0.86 -0.15 0.00 -0.60 0.00 0.00 54.58 52.89 2wh2 n ASN 74 Cb 0.26 0.00 -0.11 0.00 -0.53 0.00 0.00 39.78 39.39 2wh2 n ASN 74 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 2wh2 s LEU 75 N -1.32 2.31 0.20 1.20 0.20 0.78 -5.03 118.68 117.03 2wh2 s LEU 75 Ca 0.08 -0.66 0.08 0.00 0.69 0.00 0.00 54.13 54.32 2wh2 s LEU 75 Cb 0.04 -0.29 -0.05 0.00 -0.43 0.00 0.00 46.19 45.46 2wh2 s LEU 75 CO 0.06 -0.20 -0.16 0.42 -0.29 0.00 0.00 176.35 176.18 2wh2 s THR 76 N -1.74 1.84 -0.05 3.68 -4.23 -1.26 -4.45 115.64 109.42 2wh2 s THR 76 Ca -0.03 -2.13 0.01 0.00 -1.18 0.00 0.00 61.69 58.36 2wh2 s THR 76 Cb -0.07 -2.00 0.02 0.00 1.34 0.00 0.00 72.50 71.78 2wh2 s THR 76 CO 0.01 -0.48 -0.07 -0.22 -0.54 0.00 0.00 174.62 173.31 2wh2 s LEU 77 N -3.12 1.43 -0.06 4.79 2.96 -0.92 -5.04 118.68 118.71 2wh2 s LEU 77 Ca 0.21 -0.19 -0.00 0.00 -0.22 0.00 0.00 54.13 53.93 2wh2 s LEU 77 Cb -0.03 -0.58 -0.03 0.00 0.50 0.00 0.00 46.19 46.05 2wh2 s LEU 77 CO 0.08 -0.03 -0.02 0.42 -1.32 0.00 0.00 176.35 175.48 2wh2 s THR 78 N 0.84 4.05 -0.18 3.68 -4.23 -1.26 -0.22 115.64 118.33 2wh2 s THR 78 Ca -0.12 -0.41 0.01 0.00 -1.18 0.00 0.00 61.69 59.99 2wh2 s THR 78 Cb -0.15 -2.71 0.02 0.00 1.34 0.00 0.00 72.50 71.01 2wh2 s THR 78 CO 0.01 0.55 -0.19 -0.63 -0.54 0.00 0.00 174.62 173.83 2wh2 s ILE 79 N -0.90 2.03 -0.52 2.99 -1.09 0.39 -4.94 121.20 119.16 2wh2 s ILE 79 Ca 0.14 -0.96 -0.29 0.00 -2.23 0.00 0.00 60.65 57.31 2wh2 s ILE 79 Cb -0.11 -1.86 -0.10 0.00 -1.58 0.00 0.00 42.46 38.81 2wh2 s ILE 79 CO 0.04 0.50 2.40 -2.65 -1.23 0.00 0.00 174.94 173.99 2wh2 n PRO 80 N 4.62 0.99 -5.03 2.79 -0.02 -1.26 -4.01 135.00 133.07 2wh2 n PRO 80 Ca -0.20 0.12 -0.32 0.00 -2.02 0.00 0.00 63.50 61.07 2wh2 n PRO 80 Cb 0.49 -2.91 -0.15 0.00 -0.02 0.00 0.00 33.50 30.92 2wh2 n PRO 80 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2wh2 s VAL 81 N 10.28 2.57 -0.52 -1.45 1.01 -1.23 -5.07 120.40 125.99 2wh2 s VAL 81 Ca 1.07 -0.87 -0.28 0.00 0.00 0.00 0.00 61.98 61.91 2wh2 s VAL 81 Cb -0.51 -2.00 0.03 0.00 0.00 0.00 0.00 36.38 33.90 2wh2 s VAL 81 CO 0.35 0.56 1.12 -0.60 0.00 0.00 0.00 175.10 176.54 2wh2 s ARG 82 N -0.05 3.58 0.37 2.72 3.52 -1.26 -4.28 118.95 123.55 2wh2 s ARG 82 Ca -0.05 0.32 0.05 0.00 -0.13 0.00 0.00 55.73 55.92 2wh2 s ARG 82 Cb -0.14 -3.97 -0.03 0.00 -1.56 0.00 0.00 34.95 29.25 2wh2 s ARG 82 CO 0.04 -1.50 0.18 0.00 -0.81 0.00 0.00 175.30 173.22 2wh2 s ALA 83 N 4.55 2.47 0.00 6.12 0.00 -1.26 -4.02 121.76 129.62 2wh2 s ALA 83 Ca 0.43 -1.56 0.00 0.00 0.00 0.00 0.00 51.96 50.84 2wh2 s ALA 83 Cb -0.08 1.04 0.00 0.00 0.00 0.00 0.00 23.12 24.08 2wh2 s ALA 83 CO 0.28 -0.47 0.00 0.41 0.00 0.00 0.00 175.76 175.98 2wh2 n GLY 84 N -0.78 0.07 0.36 0.00 0.00 -1.26 -4.95 105.19 98.62 2wh2 n GLY 84 Ca -0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.84 2wh2 n GLY 84 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2wh2 n GLU 85 N -1.26 0.42 0.00 1.61 4.07 -1.26 -4.97 120.64 119.24 2wh2 n GLU 85 Ca 0.00 0.18 0.00 0.00 -0.06 0.00 0.00 57.16 57.28 2wh2 n GLU 85 Cb 0.00 -1.21 0.00 0.00 -0.06 0.00 0.00 31.44 30.17 2wh2 n GLU 85 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 2wh2 n THR 86 N -4.00 0.00 0.90 6.31 -2.24 -1.26 -4.93 114.28 109.05 2wh2 n THR 86 Ca -0.31 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.57 2wh2 n THR 86 Cb 0.66 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.87 2wh2 n THR 86 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2wh2 n LYS 87 N 0.00 1.27 -3.70 -0.78 0.00 -1.26 -4.36 118.16 109.33 2wh2 n LYS 87 Ca 0.00 -0.79 -0.23 0.00 0.00 0.00 0.00 58.31 57.29 2wh2 n LYS 87 Cb 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 35.03 33.63 2wh2 n LYS 87 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 2wh2 n ILE 88 N -0.27 -4.49 -1.43 3.15 2.08 -1.26 -4.52 119.36 112.61 2wh2 n ILE 88 Ca 0.08 -0.17 -0.20 0.00 0.56 0.00 0.00 62.75 63.02 2wh2 n ILE 88 Cb 0.40 -3.58 -0.21 0.00 -0.75 0.00 0.00 39.64 35.50 2wh2 n ILE 88 CO 0.00 0.00 0.00 -1.22 0.56 0.00 0.00 176.55 175.89 2wh2 n TYR 89 N -2.84 0.00 0.00 1.39 4.01 -1.26 -4.10 117.16 114.36 2wh2 n TYR 89 Ca -0.24 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.50 2wh2 n TYR 89 Cb 0.65 -0.49 0.00 0.00 -0.31 0.00 0.00 39.34 39.19 2wh2 n TYR 89 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2wh2 n GLY 90 N 5.30 0.10 3.23 2.72 0.00 -1.26 -4.92 105.19 110.36 2wh2 n GLY 90 Ca 0.63 -1.74 -0.10 0.00 0.00 0.00 0.00 46.02 44.80 2wh2 n GLY 90 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wh2 s SER 91 N -4.00 0.19 -0.39 1.61 0.15 -1.26 -5.01 113.70 104.99 2wh2 s SER 91 Ca 0.00 -1.11 0.10 0.00 0.70 0.00 0.00 55.95 55.64 2wh2 s SER 91 Cb 0.00 0.36 0.33 0.00 -1.71 0.00 0.00 66.02 65.00 2wh2 s SER 91 CO 0.00 -0.81 0.76 0.55 1.20 0.00 0.00 173.24 174.93 2wh2 n VAL 92 N -0.17 -0.22 -0.55 4.45 3.14 -1.26 -5.07 118.33 118.65 2wh2 n VAL 92 Ca -0.05 -3.98 -0.30 0.00 -2.96 0.00 0.00 64.34 57.06 2wh2 n VAL 92 Cb 0.64 -0.22 0.22 0.00 -1.06 0.00 0.00 33.84 33.42 2wh2 n VAL 92 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 2wh2 n THR 93 N 0.50 0.00 -0.21 1.55 -2.24 -1.26 -4.17 114.28 108.45 2wh2 n THR 93 Ca 0.21 -0.31 -0.07 0.00 -2.27 0.00 0.00 64.05 61.61 2wh2 n THR 93 Cb 0.65 -0.95 0.03 0.00 -2.10 0.00 0.00 70.33 67.95 2wh2 n THR 93 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wh2 h ALA 94 N -2.41 0.75 -0.96 6.98 0.00 -1.95 0.19 119.26 121.87 2wh2 h ALA 94 Ca -0.56 -0.13 0.28 0.00 0.00 0.00 0.00 54.91 54.50 2wh2 h ALA 94 Cb 1.32 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.84 2wh2 h ALA 94 CO 0.46 0.32 0.69 0.87 0.00 0.00 0.00 179.25 181.58 2wh2 h LYS 95 N 0.79 0.00 0.03 0.00 1.57 -1.90 1.02 116.57 118.08 2wh2 h LYS 95 Ca 0.20 -0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.90 2wh2 h LYS 95 Cb 0.12 -0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.44 2wh2 h LYS 95 CO -0.02 0.00 -0.33 -0.44 -0.57 0.00 0.00 179.45 178.08 2wh2 h ASP 96 N 0.00 0.25 -0.70 0.86 3.32 -1.03 0.17 116.42 119.30 2wh2 h ASP 96 Ca 0.46 -0.85 0.15 0.00 0.02 0.00 0.00 57.03 56.80 2wh2 h ASP 96 Cb 1.83 -0.08 -0.12 0.00 0.22 0.00 0.00 39.33 41.18 2wh2 h ASP 96 CO -0.01 1.08 0.02 0.40 -1.72 0.00 0.00 179.24 179.01 2wh2 h ILE 97 N -0.55 0.42 0.40 0.35 1.08 0.27 1.46 117.51 120.94 2wh2 h ILE 97 Ca -0.05 -0.04 -0.02 0.00 -0.39 0.00 0.00 64.86 64.36 2wh2 h ILE 97 Cb 1.15 0.28 0.00 0.00 -3.07 0.00 0.00 36.82 35.19 2wh2 h ILE 97 CO 0.06 0.02 -0.19 0.00 -0.69 0.00 0.00 178.15 177.36 2wh2 h ALA 98 N 1.64 -0.75 -0.80 1.87 0.00 -0.10 -0.76 119.26 120.37 2wh2 h ALA 98 Ca 0.38 -0.12 0.18 0.00 0.00 0.00 0.00 54.91 55.35 2wh2 h ALA 98 Cb 0.64 0.21 -0.12 0.00 0.00 0.00 0.00 17.79 18.52 2wh2 h ALA 98 CO -0.59 -0.71 0.24 1.49 0.00 0.00 0.00 179.25 179.68 2wh2 h GLU 99 N -0.79 0.30 0.00 0.00 4.81 -0.20 0.11 114.58 118.80 2wh2 h GLU 99 Ca -0.05 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 2wh2 h GLU 99 Cb 0.41 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.72 2wh2 h GLU 99 CO 0.09 0.20 0.00 0.00 -0.73 0.00 0.00 179.01 178.57 2wh2 h ALA 100 N 1.65 1.00 -0.01 2.92 0.00 0.20 -2.72 119.26 122.30 2wh2 h ALA 100 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.38 2wh2 h ALA 100 Cb 0.83 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2wh2 h ALA 100 CO -0.53 0.00 -0.16 -0.11 0.00 0.00 0.00 179.25 178.46 2wh2 n LEU 101 N -2.91 0.72 0.01 0.00 7.94 0.35 -3.50 117.00 119.61 2wh2 n LEU 101 Ca 0.02 -0.12 0.11 0.00 -1.11 0.00 0.00 56.01 54.91 2wh2 n LEU 101 Cb 0.36 -0.15 0.00 0.00 0.53 0.00 0.00 43.42 44.16 2wh2 n LEU 101 CO 0.28 0.13 0.01 -0.24 -1.11 0.00 0.00 177.39 176.46 2wh2 n SER 102 N -0.79 0.68 0.01 1.96 2.88 -1.02 -3.17 113.62 114.18 2wh2 n SER 102 Ca 0.14 -0.47 -0.20 0.00 -1.33 0.00 0.00 58.87 57.01 2wh2 n SER 102 Cb 0.30 0.86 -0.14 0.00 -0.75 0.00 0.00 64.21 64.48 2wh2 n SER 102 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2wh2 h ARG 103 N 0.00 0.24 -0.01 -1.46 3.08 -1.64 -2.18 114.38 112.42 2wh2 h ARG 103 Ca 0.00 -0.41 0.00 0.00 0.07 0.00 0.00 59.98 59.64 2wh2 h ARG 103 Cb 0.63 0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.83 2wh2 h ARG 103 CO 0.00 1.12 -0.40 1.04 -1.07 0.00 0.00 179.97 180.66 2wh2 n GLN 104 N -3.43 0.84 0.00 0.04 6.02 -1.25 -4.50 117.38 115.10 2wh2 n GLN 104 Ca -0.28 -0.59 0.00 0.00 -0.01 0.00 0.00 57.00 56.12 2wh2 n GLN 104 Cb 1.05 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.82 2wh2 n GLN 104 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2wh2 n HIS 105 N -0.57 0.00 -0.02 1.08 8.25 -1.22 -4.98 115.22 117.77 2wh2 n HIS 105 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 2wh2 n HIS 105 Cb 0.39 0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.51 2wh2 n HIS 105 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wh2 n GLY 106 N 0.00 0.95 3.48 -1.41 0.00 -0.82 -4.91 105.19 102.48 2wh2 n GLY 106 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2wh2 n GLY 106 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wh2 n VAL 107 N -2.00 1.87 -4.43 1.61 0.31 -1.19 -4.76 118.33 109.74 2wh2 n VAL 107 Ca 0.00 -0.50 -0.34 0.00 -0.01 0.00 0.00 64.34 63.49 2wh2 n VAL 107 Cb 0.00 -0.61 -0.11 0.00 -0.91 0.00 0.00 33.84 32.21 2wh2 n VAL 107 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 2wh2 s THR 108 N -1.37 4.04 -0.13 2.52 2.01 -1.26 -3.96 115.64 117.48 2wh2 s THR 108 Ca 0.63 -0.33 -0.20 0.00 0.31 0.00 0.00 61.69 62.10 2wh2 s THR 108 Cb -0.63 -2.72 0.05 0.00 0.01 0.00 0.00 72.50 69.21 2wh2 s THR 108 CO 0.58 0.56 0.51 0.27 -0.69 0.00 0.00 174.62 175.85 2wh2 s ILE 109 N -0.36 0.01 -0.06 1.82 -0.00 -1.26 -5.14 121.20 116.21 2wh2 s ILE 109 Ca 0.06 -0.09 -0.19 0.00 -0.00 0.00 0.00 60.65 60.43 2wh2 s ILE 109 Cb -0.12 -0.76 -0.05 0.00 -0.00 0.00 0.00 42.46 41.53 2wh2 s ILE 109 CO 0.02 -0.05 0.54 -1.81 -0.00 0.00 0.00 174.94 173.64 2wh2 s ASP 110 N -0.30 6.84 0.26 4.36 1.01 -1.26 -4.86 116.67 122.72 2wh2 s ASP 110 Ca -0.05 1.00 -0.03 0.00 0.71 0.00 0.00 52.55 54.19 2wh2 s ASP 110 Cb -0.03 -2.32 0.42 0.00 1.01 0.00 0.00 42.92 41.99 2wh2 s ASP 110 CO 0.03 0.06 1.85 1.55 0.21 0.00 0.00 175.17 178.87 2wh2 h PRO 111 N 6.09 0.98 -0.66 8.23 0.13 -1.94 -2.05 132.00 142.78 2wh2 h PRO 111 Ca -0.44 -0.06 0.14 0.00 -0.87 0.00 0.00 66.00 64.78 2wh2 h PRO 111 Cb 1.19 -0.22 -0.11 0.00 0.13 0.00 0.00 31.00 31.99 2wh2 h PRO 111 CO 0.72 0.65 0.00 0.87 -0.23 0.00 0.00 178.00 180.01 2wh2 h LYS 112 N 1.01 0.11 0.08 0.86 1.79 -1.97 -3.18 116.57 115.26 2wh2 h LYS 112 Ca 0.43 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.89 2wh2 h LYS 112 Cb 0.28 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 30.90 2wh2 h LYS 112 CO -0.21 0.07 -0.06 0.00 -1.08 0.00 0.00 179.45 178.17 2wh2 h ARG 113 N 0.12 -0.13 -3.98 3.15 2.47 -1.69 -3.43 114.38 110.88 2wh2 h ARG 113 Ca 0.35 0.01 -0.42 0.00 -1.26 0.00 0.00 59.98 58.66 2wh2 h ARG 113 Cb 0.58 0.03 -0.06 0.00 -1.65 0.00 0.00 29.97 28.87 2wh2 h ARG 113 CO -0.57 -0.09 1.29 -0.11 0.56 0.00 0.00 179.97 181.05 2wh2 n LEU 114 N -2.61 0.29 -4.56 3.04 0.00 -1.20 -4.06 117.00 107.90 2wh2 n LEU 114 Ca -0.02 0.21 -0.21 0.00 0.00 0.00 0.00 56.01 55.99 2wh2 n LEU 114 Cb 0.06 -0.70 -0.06 0.00 0.00 0.00 0.00 43.42 42.72 2wh2 n LEU 114 CO 0.04 -0.56 1.40 0.00 0.00 0.00 0.00 177.39 178.27 2wh2 s ALA 115 N 6.49 1.13 -0.13 1.96 0.00 0.55 -4.87 121.76 126.89 2wh2 s ALA 115 Ca 1.02 -0.79 -0.12 0.00 0.00 0.00 0.00 51.96 52.07 2wh2 s ALA 115 Cb -1.00 -4.52 0.03 0.00 0.00 0.00 0.00 23.12 17.64 2wh2 s ALA 115 CO 0.40 -5.33 0.35 -1.17 0.00 0.00 0.00 175.76 170.00 2wh2 s LEU 116 N 13.09 0.65 -0.11 0.00 2.96 -1.26 -4.35 118.68 129.65 2wh2 s LEU 116 Ca 0.87 0.70 -0.02 0.00 -0.22 0.00 0.00 54.13 55.47 2wh2 s LEU 116 Cb -0.12 1.19 -0.06 0.00 0.50 0.00 0.00 46.19 47.70 2wh2 s LEU 116 CO 0.10 -0.12 -0.12 -1.84 -1.32 0.00 0.00 176.35 173.05 2wh2 n GLU 117 N 2.95 0.25 -3.66 1.98 0.28 -1.26 -5.00 120.64 116.18 2wh2 n GLU 117 Ca -0.13 0.08 -0.37 0.00 -0.16 0.00 0.00 57.16 56.57 2wh2 n GLU 117 Cb 0.57 -1.06 -0.12 0.00 1.43 0.00 0.00 31.44 32.27 2wh2 n GLU 117 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 2wh2 s LYS 118 N -2.21 3.78 -0.76 3.44 -2.85 -1.26 -5.02 119.74 114.86 2wh2 s LYS 118 Ca -0.15 -0.42 -0.24 0.00 -1.00 0.00 0.00 55.97 54.16 2wh2 s LYS 118 Cb 0.05 -3.52 -0.15 0.00 -2.06 0.00 0.00 37.83 32.14 2wh2 s LYS 118 CO 0.22 -0.21 2.40 -2.30 0.10 0.00 0.00 175.35 175.56 2wh2 n PRO 119 N 5.00 0.57 0.00 1.78 -0.02 -1.26 -4.83 135.00 136.24 2wh2 n PRO 119 Ca -0.15 -0.58 0.00 0.00 -2.02 0.00 0.00 63.50 60.75 2wh2 n PRO 119 Cb 0.51 -3.30 0.00 0.00 -0.02 0.00 0.00 33.50 30.69 2wh2 n PRO 119 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2wh2 n ILE 120 N 8.27 0.00 -2.33 4.25 5.41 -1.26 -4.52 119.36 129.18 2wh2 n ILE 120 Ca 0.48 0.00 -0.04 0.00 1.00 0.00 0.00 62.75 64.20 2wh2 n ILE 120 Cb 0.41 0.00 0.01 0.00 -0.71 0.00 0.00 39.64 39.35 2wh2 n ILE 120 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 2wh2 n LYS 121 N 0.00 0.55 -3.64 0.38 5.02 -1.26 -4.11 118.16 115.11 2wh2 n LYS 121 Ca 0.00 -1.39 -0.20 0.00 -2.02 0.00 0.00 58.31 54.70 2wh2 n LYS 121 Cb 0.00 0.25 -0.17 0.00 -0.02 0.00 0.00 35.03 35.09 2wh2 n LYS 121 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2wh2 s GLU 122 N -0.26 0.01 0.46 1.97 2.12 -1.26 -4.28 118.70 117.46 2wh2 s GLU 122 Ca 0.09 0.30 -0.24 0.00 0.36 0.00 0.00 54.97 55.49 2wh2 s GLU 122 Cb 0.21 -0.83 -0.09 0.00 0.26 0.00 0.00 34.13 33.68 2wh2 s GLU 122 CO -0.06 -0.44 1.21 -0.11 -0.54 0.00 0.00 175.26 175.31 2wh2 n LEU 123 N 5.30 3.99 0.00 2.70 0.00 -1.26 -4.82 117.00 122.91 2wh2 n LEU 123 Ca -0.05 1.04 0.00 0.00 0.00 0.00 0.00 56.01 57.00 2wh2 n LEU 123 Cb 0.50 -1.47 0.00 0.00 0.00 0.00 0.00 43.42 42.44 2wh2 n LEU 123 CO 0.07 -0.92 0.00 0.61 0.00 0.00 0.00 177.39 177.15 2wh2 n GLY 124 N 0.92 0.95 3.39 -3.96 0.00 -1.09 -4.95 105.19 100.46 2wh2 n GLY 124 Ca 0.08 -1.94 -0.33 0.00 0.00 0.00 0.00 46.02 43.83 2wh2 n GLY 124 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2wh2 s GLU 125 N -1.74 3.44 0.08 1.61 1.03 -1.26 0.72 118.70 122.59 2wh2 s GLU 125 Ca 0.00 -0.64 0.00 0.00 0.03 0.00 0.00 54.97 54.36 2wh2 s GLU 125 Cb 0.00 -2.74 0.00 0.00 -0.80 0.00 0.00 34.13 30.59 2wh2 s GLU 125 CO 0.00 0.16 0.03 0.66 -1.33 0.00 0.00 175.26 174.78 2wh2 n TYR 126 N 3.71 -0.60 -3.46 4.83 4.02 -0.61 -4.83 117.16 120.21 2wh2 n TYR 126 Ca -0.18 -0.36 -0.21 0.00 -0.01 0.00 0.00 57.90 57.14 2wh2 n TYR 126 Cb 0.52 -0.06 -0.12 0.00 -0.02 0.00 0.00 39.34 39.67 2wh2 n TYR 126 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 2wh2 s VAL 127 N -0.83 -0.28 0.29 -0.72 1.01 -1.26 -0.16 120.40 118.45 2wh2 s VAL 127 Ca 0.02 -0.51 0.07 0.00 0.00 0.00 0.00 61.98 61.57 2wh2 s VAL 127 Cb -0.00 -0.93 -0.03 0.00 0.00 0.00 0.00 36.38 35.42 2wh2 s VAL 127 CO 0.01 -0.50 0.25 -0.76 0.00 0.00 0.00 175.10 174.10 2wh2 s LEU 128 N 2.27 3.72 -0.06 3.92 1.43 0.47 -4.83 118.68 125.60 2wh2 s LEU 128 Ca 0.09 -0.36 -0.02 0.00 -1.03 0.00 0.00 54.13 52.80 2wh2 s LEU 128 Cb -0.15 -2.29 -0.04 0.00 0.03 0.00 0.00 46.19 43.74 2wh2 s LEU 128 CO -0.31 -0.19 0.06 -0.89 0.23 0.00 0.00 176.35 175.25 2wh2 s THR 129 N -2.21 4.73 0.33 5.49 2.01 -1.26 0.87 115.64 125.60 2wh2 s THR 129 Ca 0.37 -0.20 0.09 0.00 0.31 0.00 0.00 61.69 62.25 2wh2 s THR 129 Cb -0.07 -3.07 -0.05 0.00 0.01 0.00 0.00 72.50 69.32 2wh2 s THR 129 CO 0.26 0.52 0.05 -0.47 -0.69 0.00 0.00 174.62 174.29 2wh2 s TYR 130 N -1.03 2.62 -0.42 4.92 5.04 -0.32 -0.33 117.35 127.83 2wh2 s TYR 130 Ca 0.17 -0.39 0.03 0.00 -2.44 0.00 0.00 57.07 54.44 2wh2 s TYR 130 Cb -0.12 -1.51 0.17 0.00 0.35 0.00 0.00 41.96 40.85 2wh2 s TYR 130 CO 0.07 0.45 0.33 0.15 -1.34 0.00 0.00 175.55 175.20 2wh2 s LYS 131 N -3.75 0.93 0.09 4.97 1.02 -1.26 -3.64 119.74 118.11 2wh2 s LYS 131 Ca 0.35 -2.06 0.03 0.00 0.02 0.00 0.00 55.97 54.31 2wh2 s LYS 131 Cb -0.02 -1.50 -0.24 0.00 -0.52 0.00 0.00 37.83 35.55 2wh2 s LYS 131 CO 0.20 -1.36 1.19 -1.35 -0.92 0.00 0.00 175.35 173.12 2wh2 h PRO 132 N 5.83 0.11 -2.08 -1.68 0.11 -1.95 -3.46 132.00 128.88 2wh2 h PRO 132 Ca 0.23 -0.18 0.02 0.00 0.11 0.00 0.00 66.00 66.18 2wh2 h PRO 132 Cb 0.91 0.07 -0.22 0.00 0.11 0.00 0.00 31.00 31.87 2wh2 h PRO 132 CO 0.37 1.07 -0.07 -1.58 -0.21 0.00 0.00 178.00 177.58 2wh2 s HIS 133 N -2.68 -1.09 0.13 0.65 5.65 -1.26 -4.96 115.29 111.73 2wh2 s HIS 133 Ca -0.01 2.09 0.03 0.00 0.25 0.00 0.00 55.06 57.42 2wh2 s HIS 133 Cb 0.09 0.64 0.39 0.00 -1.18 0.00 0.00 32.58 32.51 2wh2 s HIS 133 CO 0.84 -0.55 0.63 -2.30 -0.65 0.00 0.00 174.74 172.71 2wh2 n PRO 134 N 4.67 -0.03 -1.12 2.88 -0.02 -1.26 0.17 135.00 140.29 2wh2 n PRO 134 Ca -0.18 0.58 -0.14 0.00 -2.02 0.00 0.00 63.50 61.75 2wh2 n PRO 134 Cb 0.56 -0.97 0.25 0.00 -0.02 0.00 0.00 33.50 33.32 2wh2 n PRO 134 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2wh2 n GLU 135 N -4.23 3.09 -3.36 -0.52 0.28 -1.26 -4.71 120.64 109.92 2wh2 n GLU 135 Ca 0.11 -3.06 -0.25 0.00 -0.16 0.00 0.00 57.16 53.80 2wh2 n GLU 135 Cb 0.38 -2.20 -0.10 0.00 1.43 0.00 0.00 31.44 30.95 2wh2 n GLU 135 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 2wh2 s VAL 136 N -3.13 0.13 0.57 3.84 1.01 0.44 -5.13 120.40 118.12 2wh2 s VAL 136 Ca 0.56 -2.15 -0.15 0.00 0.00 0.00 0.00 61.98 60.24 2wh2 s VAL 136 Cb 0.46 -1.08 -0.05 0.00 0.00 0.00 0.00 36.38 35.71 2wh2 s VAL 136 CO 0.12 -1.03 1.02 -2.84 0.00 0.00 0.00 175.10 172.37 2wh2 s PRO 137 N 0.49 3.62 -0.12 2.72 0.02 -1.26 -4.11 135.00 136.36 2wh2 s PRO 137 Ca 0.28 0.98 -0.04 0.00 0.02 0.00 0.00 61.00 62.23 2wh2 s PRO 137 Cb -0.05 -2.08 0.06 0.00 0.02 0.00 0.00 34.50 32.45 2wh2 s PRO 137 CO -0.12 -0.55 0.22 0.42 -0.33 0.00 0.00 177.00 176.64 2wh2 s ILE 138 N -2.74 -0.35 -0.35 2.83 1.01 -1.24 -4.98 121.20 115.39 2wh2 s ILE 138 Ca 0.59 0.26 -0.23 0.00 0.00 0.00 0.00 60.65 61.28 2wh2 s ILE 138 Cb -0.12 -0.41 0.01 0.00 0.01 0.00 0.00 42.46 41.94 2wh2 s ILE 138 CO 0.40 0.09 0.76 -1.10 0.00 0.00 0.00 174.94 175.09 2wh2 s GLN 139 N 2.36 3.79 -0.30 2.79 1.11 -1.26 -1.18 119.66 126.97 2wh2 s GLN 139 Ca 0.03 0.33 -0.09 0.00 0.01 0.00 0.00 55.36 55.64 2wh2 s GLN 139 Cb -0.12 -3.79 -0.00 0.00 -1.01 0.00 0.00 33.01 28.08 2wh2 s GLN 139 CO -0.08 -0.80 0.13 -1.17 0.01 0.00 0.00 175.29 173.38 2wh2 s LEU 140 N 3.02 4.00 -0.01 2.90 2.96 0.25 -4.31 118.68 127.49 2wh2 s LEU 140 Ca 0.31 -0.57 -0.30 0.00 -0.22 0.00 0.00 54.13 53.34 2wh2 s LEU 140 Cb -0.14 -1.96 -0.04 0.00 0.50 0.00 0.00 46.19 44.56 2wh2 s LEU 140 CO 0.16 -0.19 1.10 -0.54 -1.32 0.00 0.00 176.35 175.56 2wh2 s LYS 141 N 1.58 4.46 0.50 1.98 1.02 -1.26 -0.39 119.74 127.63 2wh2 s LYS 141 Ca 0.04 1.58 0.07 0.00 0.02 0.00 0.00 55.97 57.67 2wh2 s LYS 141 Cb -0.17 -3.46 0.02 0.00 -0.52 0.00 0.00 37.83 33.70 2wh2 s LYS 141 CO 0.05 -0.24 0.42 0.08 -0.92 0.00 0.00 175.35 174.75 2wh2 s VAL 142 N 1.43 2.02 -0.35 3.17 1.01 0.77 -2.17 120.40 126.28 2wh2 s VAL 142 Ca 0.54 -1.41 0.04 0.00 0.00 0.00 0.00 61.98 61.15 2wh2 s VAL 142 Cb -0.24 -2.43 0.19 0.00 0.00 0.00 0.00 36.38 33.90 2wh2 s VAL 142 CO 0.26 0.00 0.70 -0.55 0.00 0.00 0.00 175.10 175.50 2wh2 s SER 143 N -4.26 -1.34 -1.18 3.32 0.15 0.70 -1.58 113.70 109.50 2wh2 s SER 143 Ca 0.41 -0.32 -0.11 0.00 0.70 0.00 0.00 55.95 56.64 2wh2 s SER 143 Cb -0.02 1.76 0.22 0.00 -1.71 0.00 0.00 66.02 66.26 2wh2 s SER 143 CO 0.25 -0.19 1.42 0.52 1.20 0.00 0.00 173.24 176.44 2wh2 n VAL 144 N 4.73 4.47 -1.45 4.45 0.31 0.22 -0.46 118.33 130.60 2wh2 n VAL 144 Ca 0.08 -4.99 -0.29 0.00 -0.01 0.00 0.00 64.34 59.13 2wh2 n VAL 144 Cb 0.57 -2.45 0.14 0.00 -0.91 0.00 0.00 33.84 31.19 2wh2 n VAL 144 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2wh2 s VAL 145 N 0.12 2.12 0.00 2.52 1.01 -1.26 -2.66 120.40 122.25 2wh2 s VAL 145 Ca 0.38 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.40 2wh2 s VAL 145 Cb -0.02 -2.72 0.00 0.00 0.00 0.00 0.00 36.38 33.63 2wh2 s VAL 145 CO -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 175.10 175.04