#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h96 n ASP 6 N 0.00 0.39 0.34 1.62 8.00 -1.26 -3.71 116.55 121.92 3h96 n ASP 6 Ca 0.00 0.57 -0.16 0.00 0.71 0.00 0.00 54.79 55.92 3h96 n ASP 6 Cb 0.00 -0.66 -0.08 0.00 -0.02 0.00 0.00 41.12 40.36 3h96 n ASP 6 CO 0.00 0.00 0.00 -0.25 -0.39 0.00 0.00 177.20 176.56 3h96 h TRP 7 N 0.00 -0.81 -0.88 1.24 7.01 -2.05 0.20 115.95 120.66 3h96 h TRP 7 Ca 0.00 -0.02 0.16 0.00 2.11 0.00 0.00 58.89 61.14 3h96 h TRP 7 Cb 0.41 0.27 -0.16 0.00 -2.10 0.00 0.00 29.16 27.58 3h96 h TRP 7 CO 0.00 -0.46 -0.29 -0.97 -2.79 0.00 0.00 178.44 173.93 3h96 h ASN 8 N -1.09 -1.06 -0.38 2.65 -1.24 -1.99 0.63 115.58 113.10 3h96 h ASN 8 Ca -0.09 0.27 0.03 0.00 0.71 0.00 0.00 56.30 57.23 3h96 h ASN 8 Cb 0.71 0.62 -0.03 0.00 0.73 0.00 0.00 38.32 40.34 3h96 h ASN 8 CO 0.15 -0.30 0.18 0.28 -1.29 0.00 0.00 177.43 176.46 3h96 h SER 9 N -0.03 0.27 -0.56 1.15 0.02 -1.60 -2.00 113.55 110.80 3h96 h SER 9 Ca 0.38 0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 61.28 3h96 h SER 9 Cb 0.62 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.11 3h96 h SER 9 CO -0.91 0.20 0.11 1.56 -1.14 0.00 0.00 176.83 176.65 3h96 h GLN 10 N 0.38 0.96 -0.44 3.45 4.20 0.34 -0.88 115.11 123.12 3h96 h GLN 10 Ca 0.16 -0.23 -0.07 0.00 0.06 0.00 0.00 58.65 58.57 3h96 h GLN 10 Cb 0.08 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 3h96 h GLN 10 CO -0.12 0.87 -0.00 0.28 -0.67 0.00 0.00 178.83 179.19 3h96 h VAL 11 N 0.91 1.26 -0.32 -0.54 2.07 -0.74 -0.33 116.25 118.56 3h96 h VAL 11 Ca 0.19 -1.04 -0.00 0.00 0.82 0.00 0.00 66.70 66.66 3h96 h VAL 11 Cb 0.37 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 3h96 h VAL 11 CO 0.01 0.36 0.19 0.40 0.02 0.00 0.00 177.57 178.55 3h96 h ILE 12 N 0.62 1.11 -0.37 4.57 2.04 -1.25 -0.30 117.51 123.92 3h96 h ILE 12 Ca 0.12 -0.25 -0.11 0.00 1.00 0.00 0.00 64.86 65.62 3h96 h ILE 12 Cb 0.50 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 3h96 h ILE 12 CO 0.02 0.11 -0.23 -0.61 0.00 0.00 0.00 178.15 177.44 3h96 h GLN 13 N 0.41 0.74 -0.61 2.37 5.75 -1.07 -1.48 115.11 121.22 3h96 h GLN 13 Ca 0.11 -0.30 -0.10 0.00 -0.15 0.00 0.00 58.65 58.22 3h96 h GLN 13 Cb 0.01 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.50 3h96 h GLN 13 CO -0.02 0.90 -0.01 1.49 -2.65 0.00 0.00 178.83 178.54 3h96 h GLU 14 N 0.65 1.07 -0.03 1.69 4.81 -0.66 -0.52 114.58 121.59 3h96 h GLU 14 Ca 0.09 -0.34 0.03 0.00 -0.13 0.00 0.00 59.36 59.01 3h96 h GLU 14 Cb 0.73 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.98 3h96 h GLU 14 CO 0.06 1.05 -0.17 0.35 -0.73 0.00 0.00 179.01 179.57 3h96 h PHE 15 N 0.98 -0.43 -0.47 0.92 3.57 -0.77 -0.42 116.94 120.32 3h96 h PHE 15 Ca 0.17 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.56 3h96 h PHE 15 Cb 0.57 0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.49 3h96 h PHE 15 CO 0.04 -0.24 -0.22 0.00 -2.23 0.00 0.00 178.31 175.66 3h96 h ARG 16 N -0.26 0.97 0.00 1.11 3.08 -1.07 0.39 114.38 118.60 3h96 h ARG 16 Ca 0.06 -0.42 -0.03 0.00 0.07 0.00 0.00 59.98 59.66 3h96 h ARG 16 Cb 0.34 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.36 3h96 h ARG 16 CO -0.18 1.09 -0.14 0.00 -1.07 0.00 0.00 179.97 179.67 3h96 h ALA 17 N 0.85 1.56 -0.35 0.04 0.00 -0.97 -3.33 119.26 117.06 3h96 h ALA 17 Ca 0.10 -0.12 -0.27 0.00 0.00 0.00 0.00 54.91 54.62 3h96 h ALA 17 Cb 0.80 -0.02 -0.24 0.00 0.00 0.00 0.00 17.79 18.33 3h96 h ALA 17 CO 0.07 0.17 -0.72 0.09 0.00 0.00 0.00 179.25 178.86 3h96 n ASN 18 N -4.06 3.02 -3.68 0.00 3.02 -0.18 -4.99 115.26 108.40 3h96 n ASN 18 Ca -0.02 -3.57 -0.26 0.00 -0.03 0.00 0.00 54.58 50.70 3h96 n ASN 18 Cb 0.22 -0.43 0.06 0.00 -0.61 0.00 0.00 39.78 39.02 3h96 n ASN 18 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3h96 n GLY 19 N -0.79 -0.53 1.93 7.41 0.00 -1.10 -2.43 105.19 109.67 3h96 n GLY 19 Ca 0.28 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.54 3h96 n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h96 n GLY 20 N -1.91 0.47 3.34 -0.02 0.00 0.09 -4.44 105.19 102.73 3h96 n GLY 20 Ca 0.02 -0.45 -0.32 0.00 0.00 0.00 0.00 46.02 45.27 3h96 n GLY 20 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h96 s ARG 21 N -0.84 2.32 0.04 1.61 0.52 -1.02 -4.62 118.95 116.96 3h96 s ARG 21 Ca 0.00 -0.86 0.05 0.00 -0.52 0.00 0.00 55.73 54.39 3h96 s ARG 21 Cb 0.00 -2.16 -0.02 0.00 0.52 0.00 0.00 34.95 33.29 3h96 s ARG 21 CO 0.00 0.53 -0.13 0.08 0.02 0.00 0.00 175.30 175.80 3h96 s VAL 22 N -0.53 1.04 0.00 3.52 1.01 -1.26 -4.23 120.40 119.95 3h96 s VAL 22 Ca 0.07 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 61.05 3h96 s VAL 22 Cb -0.11 -0.96 0.00 0.00 0.00 0.00 0.00 36.38 35.31 3h96 s VAL 22 CO 0.00 -0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.67 3h96 n GLY 23 N 1.85 1.10 7.00 4.51 0.00 -1.26 -2.39 105.19 116.00 3h96 n GLY 23 Ca -0.18 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 43.97 3h96 n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h96 n GLY 24 N 5.00 2.68 0.25 -0.02 0.00 -1.26 -2.20 105.19 109.63 3h96 n GLY 24 Ca 0.00 -0.43 0.12 0.00 0.00 0.00 0.00 46.02 45.71 3h96 n GLY 24 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3h96 h ASN 25 N 9.75 0.00 0.01 1.61 2.35 -2.07 -0.94 115.58 126.29 3h96 h ASN 25 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3h96 h ASN 25 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3h96 h ASN 25 CO 0.00 0.00 -0.36 0.49 -1.65 0.00 0.00 177.43 175.91 3h96 n PHE 26 N -2.51 0.00 -1.66 1.19 3.72 -0.94 -4.96 117.46 112.31 3h96 n PHE 26 Ca -0.02 0.00 -0.56 0.00 -0.05 0.00 0.00 57.45 56.83 3h96 n PHE 26 Cb 0.27 -0.01 -0.07 0.00 -0.94 0.00 0.00 39.48 38.73 3h96 n PHE 26 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 3h96 n GLU 27 N 0.17 1.06 -0.17 -1.08 0.00 -0.36 -0.88 120.64 119.38 3h96 n GLU 27 Ca 0.11 0.39 0.00 0.00 0.00 0.00 0.00 57.16 57.65 3h96 n GLU 27 Cb 0.48 -2.04 0.00 0.00 0.00 0.00 0.00 31.44 29.88 3h96 n GLU 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3h96 n GLY 28 N 3.44 2.22 3.87 8.31 0.00 -1.26 -5.01 105.19 116.77 3h96 n GLY 28 Ca 0.23 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.95 3h96 n GLY 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h96 s ALA 29 N -2.83 3.38 1.01 4.61 0.00 -0.06 -5.12 121.76 122.75 3h96 s ALA 29 Ca 0.00 -0.20 -0.15 0.00 0.00 0.00 0.00 51.96 51.61 3h96 s ALA 29 Cb 0.00 -2.66 0.20 0.00 0.00 0.00 0.00 23.12 20.66 3h96 s ALA 29 CO 0.00 0.11 1.18 -2.14 0.00 0.00 0.00 175.76 174.91 3h96 s PRO 30 N -3.60 0.33 0.00 0.00 0.02 -1.26 -4.80 135.00 125.69 3h96 s PRO 30 Ca 0.51 0.01 0.00 0.00 0.02 0.00 0.00 61.00 61.53 3h96 s PRO 30 Cb -0.10 -1.77 0.00 0.00 0.02 0.00 0.00 34.50 32.65 3h96 s PRO 30 CO 0.28 -2.69 0.00 1.55 -0.33 0.00 0.00 177.00 175.81 3h96 n VAL 32 N -4.05 0.00 -3.43 3.83 3.14 -1.26 -1.57 118.33 114.98 3h96 n VAL 32 Ca 0.11 0.00 -0.41 0.00 -2.96 0.00 0.00 64.34 61.07 3h96 n VAL 32 Cb 0.59 0.00 -0.10 0.00 -1.06 0.00 0.00 33.84 33.28 3h96 n VAL 32 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 3h96 s LEU 33 N 0.00 4.64 -0.27 6.55 1.43 0.03 -4.29 118.68 126.78 3h96 s LEU 33 Ca 0.00 -0.47 -0.17 0.00 -1.03 0.00 0.00 54.13 52.46 3h96 s LEU 33 Cb 0.00 -2.27 -0.03 0.00 0.03 0.00 0.00 46.19 43.93 3h96 s LEU 33 CO 0.00 -0.37 0.48 -0.69 0.23 0.00 0.00 176.35 176.00 3h96 s VAL 34 N 1.91 5.09 -0.14 -1.59 1.01 -0.31 -1.03 120.40 125.33 3h96 s VAL 34 Ca 0.09 0.77 -0.17 0.00 0.00 0.00 0.00 61.98 62.67 3h96 s VAL 34 Cb -0.17 -3.81 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 3h96 s VAL 34 CO 0.11 0.08 0.41 -1.00 0.00 0.00 0.00 175.10 174.70 3h96 s HIS 35 N 2.26 3.47 0.20 5.22 3.76 -0.10 -1.42 115.29 128.69 3h96 s HIS 35 Ca 0.20 0.76 -0.02 0.00 -0.15 0.00 0.00 55.06 55.84 3h96 s HIS 35 Cb -0.16 -2.49 -0.04 0.00 1.11 0.00 0.00 32.58 31.01 3h96 s HIS 35 CO 0.10 0.16 0.16 -3.38 -0.85 0.00 0.00 174.74 170.93 3h96 s HIS 36 N 0.70 1.05 -0.07 1.40 -3.43 -0.29 -3.69 115.29 110.97 3h96 s HIS 36 Ca 0.22 -1.30 0.02 0.00 -0.80 0.00 0.00 55.06 53.20 3h96 s HIS 36 Cb -0.14 -0.47 0.01 0.00 -1.43 0.00 0.00 32.58 30.55 3h96 s HIS 36 CO 0.08 -0.67 -0.12 0.08 -2.00 0.00 0.00 174.74 172.11 3h96 s VAL 37 N -4.14 1.14 -0.07 -5.38 1.01 -1.26 -0.35 120.40 111.35 3h96 s VAL 37 Ca 0.36 -0.47 -0.33 0.00 0.00 0.00 0.00 61.98 61.54 3h96 s VAL 37 Cb 0.06 -1.05 -0.11 0.00 0.00 0.00 0.00 36.38 35.29 3h96 s VAL 37 CO 0.11 0.36 1.93 0.61 0.00 0.00 0.00 175.10 178.11 3h96 n GLY 38 N 3.90 1.53 0.31 4.51 0.00 -0.12 -4.69 105.19 110.63 3h96 n GLY 38 Ca -0.22 0.85 0.18 0.00 0.00 0.00 0.00 46.02 46.84 3h96 n GLY 38 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3h96 h ARG 39 N 9.94 0.00 0.00 1.61 0.11 -1.90 0.33 114.38 124.47 3h96 h ARG 39 Ca -0.48 0.00 -0.24 0.00 0.10 0.00 0.00 59.98 59.36 3h96 h ARG 39 Cb 1.26 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 32.30 3h96 h ARG 39 CO 0.95 0.02 -1.91 1.63 0.10 0.00 0.00 179.97 180.76 3h96 n LYS 40 N -3.40 1.22 0.08 0.08 5.02 -1.26 -4.72 118.16 115.19 3h96 n LYS 40 Ca -0.02 0.04 0.08 0.00 -2.02 0.00 0.00 58.31 56.39 3h96 n LYS 40 Cb 0.13 -1.33 -0.02 0.00 -0.02 0.00 0.00 35.03 33.78 3h96 n LYS 40 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3h96 n THR 41 N -2.71 0.76 -0.98 -0.18 -2.24 -1.08 -4.94 114.28 102.91 3h96 n THR 41 Ca -0.25 -0.59 0.00 0.00 -2.27 0.00 0.00 64.05 60.94 3h96 n THR 41 Cb 0.87 -0.44 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 3h96 n THR 41 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h96 n GLY 42 N 1.24 0.25 3.88 3.38 0.00 0.12 -4.93 105.19 109.11 3h96 n GLY 42 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 3h96 n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h96 s LYS 43 N -1.04 3.62 0.39 1.61 1.02 -1.26 -4.66 119.74 119.41 3h96 s LYS 43 Ca 0.00 -0.01 -0.25 0.00 0.02 0.00 0.00 55.97 55.73 3h96 s LYS 43 Cb 0.00 -3.10 -0.09 0.00 -0.52 0.00 0.00 37.83 34.12 3h96 s LYS 43 CO 0.00 0.66 1.11 0.00 -0.92 0.00 0.00 175.35 176.20 3h96 s ALA 44 N -1.25 3.15 0.06 5.17 0.00 -1.26 -0.95 121.76 126.67 3h96 s ALA 44 Ca 0.26 0.86 -0.01 0.00 0.00 0.00 0.00 51.96 53.07 3h96 s ALA 44 Cb -0.13 -3.33 -0.04 0.00 0.00 0.00 0.00 23.12 19.61 3h96 s ALA 44 CO 0.15 -0.37 -0.02 0.00 0.00 0.00 0.00 175.76 175.52 3h96 s ALA 45 N -1.48 0.54 -0.06 0.00 0.00 0.52 -4.93 121.76 116.35 3h96 s ALA 45 Ca 0.56 -1.23 0.02 0.00 0.00 0.00 0.00 51.96 51.31 3h96 s ALA 45 Cb -0.27 0.35 0.01 0.00 0.00 0.00 0.00 23.12 23.21 3h96 s ALA 45 CO 0.34 -0.39 -0.11 0.08 0.00 0.00 0.00 175.76 175.69 3h96 s VAL 46 N -3.93 1.04 -0.10 0.00 1.01 -1.26 -1.13 120.40 116.03 3h96 s VAL 46 Ca 0.09 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 61.65 3h96 s VAL 46 Cb 0.08 -0.96 0.02 0.00 0.00 0.00 0.00 36.38 35.52 3h96 s VAL 46 CO -0.09 0.33 -0.08 -0.89 0.00 0.00 0.00 175.10 174.38 3h96 s THR 47 N 0.72 1.00 0.29 3.92 2.01 -0.51 -4.96 115.64 118.11 3h96 s THR 47 Ca -0.14 -0.31 -0.28 0.00 0.31 0.00 0.00 61.69 61.28 3h96 s THR 47 Cb -0.16 -0.99 -0.09 0.00 0.01 0.00 0.00 72.50 71.27 3h96 s THR 47 CO 0.03 0.35 0.99 -2.16 -0.69 0.00 0.00 174.62 173.15 3h96 s PRO 48 N 1.42 4.64 -0.10 4.92 0.04 -1.26 -1.16 135.00 143.49 3h96 s PRO 48 Ca -0.01 1.52 -0.33 0.00 0.04 0.00 0.00 61.00 62.23 3h96 s PRO 48 Cb -0.13 -3.03 0.13 0.00 0.04 0.00 0.00 34.50 31.51 3h96 s PRO 48 CO -0.05 0.29 1.23 1.52 0.04 0.00 0.00 177.00 180.03 3h96 s TYR 51 N -1.36 -0.10 -0.18 0.56 -0.85 -0.61 -4.97 117.35 109.85 3h96 s TYR 51 Ca 0.47 0.02 -0.00 0.00 -0.52 0.00 0.00 57.07 57.03 3h96 s TYR 51 Cb -0.25 0.53 0.01 0.00 0.38 0.00 0.00 41.96 42.63 3h96 s TYR 51 CO 0.31 -0.26 -0.16 -1.17 -1.52 0.00 0.00 175.55 172.76 3h96 s LEU 52 N -2.54 2.37 0.35 -3.49 2.96 0.36 -4.41 118.68 114.27 3h96 s LEU 52 Ca 0.11 -0.55 -0.28 0.00 -0.22 0.00 0.00 54.13 53.19 3h96 s LEU 52 Cb 0.01 -1.55 -0.10 0.00 0.50 0.00 0.00 46.19 45.05 3h96 s LEU 52 CO -0.04 0.02 1.35 -2.16 -1.32 0.00 0.00 176.35 174.20 3h96 s PRO 53 N 1.19 4.27 0.24 0.98 0.04 -1.26 -0.43 135.00 140.04 3h96 s PRO 53 Ca 0.02 2.31 -0.31 0.00 0.04 0.00 0.00 61.00 63.05 3h96 s PRO 53 Cb -0.14 -3.03 -0.12 0.00 0.04 0.00 0.00 34.50 31.25 3h96 s PRO 53 CO -0.07 -0.29 1.60 0.45 0.04 0.00 0.00 177.00 178.73 3h96 n SER 54 N 0.68 3.59 -0.02 6.66 2.88 -0.83 -4.87 113.62 121.71 3h96 n SER 54 Ca 0.00 1.11 0.14 0.00 -1.33 0.00 0.00 58.87 58.79 3h96 n SER 54 Cb 0.41 -1.53 0.54 0.00 -0.75 0.00 0.00 64.21 62.88 3h96 n SER 54 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3h96 n ASP 55 N 2.87 0.20 -0.03 -3.46 5.68 -1.26 -4.20 116.55 116.35 3h96 n ASP 55 Ca 0.12 0.09 -0.01 0.00 -0.50 0.00 0.00 54.79 54.49 3h96 n ASP 55 Cb 0.34 -0.23 -0.07 0.00 -1.14 0.00 0.00 41.12 40.02 3h96 n ASP 55 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3h96 n ASP 56 N -1.39 2.85 -3.72 -1.12 8.00 -1.26 -5.00 116.55 114.91 3h96 n ASP 56 Ca 0.08 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.30 3h96 n ASP 56 Cb 0.32 0.97 -0.16 0.00 -0.02 0.00 0.00 41.12 42.23 3h96 n ASP 56 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3h96 s ASP 57 N -3.72 3.50 0.32 -2.24 3.68 -1.26 -5.11 116.67 111.85 3h96 s ASP 57 Ca -0.04 -1.24 -0.29 0.00 2.13 0.00 0.00 52.55 53.11 3h96 s ASP 57 Cb 0.04 -0.71 -0.12 0.00 -1.45 0.00 0.00 42.92 40.68 3h96 s ASP 57 CO 0.37 -0.37 1.43 -2.65 0.13 0.00 0.00 175.17 174.08 3h96 n PRO 58 N 4.97 2.38 0.00 4.34 -0.02 -1.26 -2.34 135.00 143.07 3h96 n PRO 58 Ca -0.06 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 3h96 n PRO 58 Cb 0.44 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 3h96 n PRO 58 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h96 n GLY 59 N 1.21 0.86 3.48 -1.23 0.00 -1.26 -4.98 105.19 103.27 3h96 n GLY 59 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 3h96 n GLY 59 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h96 s THR 60 N -2.23 3.80 0.23 2.61 2.01 -0.99 -0.40 115.64 120.67 3h96 s THR 60 Ca 0.00 -0.39 0.11 0.00 0.31 0.00 0.00 61.69 61.72 3h96 s THR 60 Cb 0.00 -2.66 -0.05 0.00 0.01 0.00 0.00 72.50 69.80 3h96 s THR 60 CO 0.00 0.49 -0.20 0.27 -0.69 0.00 0.00 174.62 174.49 3h96 s ILE 61 N 0.45 2.53 -0.08 1.82 -4.36 -0.43 -1.96 121.20 119.17 3h96 s ILE 61 Ca -0.04 -2.14 0.02 0.00 -0.26 0.00 0.00 60.65 58.23 3h96 s ILE 61 Cb -0.14 -2.27 -0.02 0.00 1.25 0.00 0.00 42.46 41.27 3h96 s ILE 61 CO 0.03 -0.24 -0.12 -0.31 0.24 0.00 0.00 174.94 174.54 3h96 s TYR 62 N -2.03 2.80 0.21 1.37 2.02 0.43 -0.28 117.35 121.87 3h96 s TYR 62 Ca 0.25 -0.23 0.10 0.00 -0.37 0.00 0.00 57.07 56.82 3h96 s TYR 62 Cb -0.07 -1.71 -0.05 0.00 -0.40 0.00 0.00 41.96 39.73 3h96 s TYR 62 CO 0.13 0.12 -0.20 0.14 -1.57 0.00 0.00 175.55 174.17 3h96 s VAL 63 N -0.45 2.14 -0.22 0.71 -7.23 -0.26 -0.49 120.40 114.61 3h96 s VAL 63 Ca 0.06 -2.13 0.02 0.00 -1.81 0.00 0.00 61.98 58.12 3h96 s VAL 63 Cb -0.12 -2.07 0.05 0.00 0.56 0.00 0.00 36.38 34.79 3h96 s VAL 63 CO 0.02 -0.32 -0.11 -0.36 -0.31 0.00 0.00 175.10 174.02 3h96 s PHE 64 N -2.19 2.73 -1.24 2.82 0.08 -1.26 -0.93 117.98 117.99 3h96 s PHE 64 Ca 0.22 -1.85 -0.08 0.00 0.12 0.00 0.00 56.93 55.34 3h96 s PHE 64 Cb -0.05 -1.76 -0.05 0.00 -0.57 0.00 0.00 43.02 40.58 3h96 s PHE 64 CO 0.10 -0.80 2.90 0.00 -0.10 0.00 0.00 175.22 177.32 3h96 n ALA 65 N 4.59 7.14 0.12 5.36 0.00 0.18 -4.62 120.51 133.28 3h96 n ALA 65 Ca -0.15 -3.39 -0.20 0.00 0.00 0.00 0.00 53.44 49.70 3h96 n ALA 65 Cb 0.45 -2.99 -0.14 0.00 0.00 0.00 0.00 19.45 16.78 3h96 n ALA 65 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3h96 h SER 66 N 4.47 0.66 -6.70 0.00 4.64 -1.96 -3.40 113.55 111.27 3h96 h SER 66 Ca 0.70 -0.67 -0.54 0.00 -0.47 0.00 0.00 61.79 60.81 3h96 h SER 66 Cb 0.49 -0.21 -0.11 0.00 -0.31 0.00 0.00 62.40 62.26 3h96 h SER 66 CO 1.42 1.51 -0.91 1.17 -0.87 0.00 0.00 176.83 179.15 3h96 n LYS 67 N -3.66 -2.50 -3.35 4.77 4.81 -1.26 -0.46 118.16 116.52 3h96 n LYS 67 Ca -0.12 0.30 -0.20 0.00 -0.87 0.00 0.00 58.31 57.41 3h96 n LYS 67 Cb 1.03 -4.21 -0.02 0.00 0.02 0.00 0.00 35.03 31.85 3h96 n LYS 67 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3h96 n ALA 68 N -4.46 -1.07 -1.03 3.14 0.00 -1.26 -1.27 120.51 114.55 3h96 n ALA 68 Ca -0.32 -0.03 -0.01 0.00 0.00 0.00 0.00 53.44 53.09 3h96 n ALA 68 Cb 0.69 -1.85 -0.00 0.00 0.00 0.00 0.00 19.45 18.29 3h96 n ALA 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h96 n GLY 69 N -0.89 0.40 3.55 0.00 0.00 0.39 -4.94 105.19 103.71 3h96 n GLY 69 Ca 0.02 -0.09 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 3h96 n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h96 s ALA 70 N -1.70 0.19 0.44 4.61 0.00 -0.40 -4.16 121.76 120.74 3h96 s ALA 70 Ca 0.00 0.18 0.12 0.00 0.00 0.00 0.00 51.96 52.26 3h96 s ALA 70 Cb 0.00 -3.34 0.99 0.00 0.00 0.00 0.00 23.12 20.77 3h96 s ALA 70 CO 0.00 -3.50 2.02 0.00 0.00 0.00 0.00 175.76 174.28 3h96 h ALA 71 N -2.39 1.72 -2.30 0.00 0.00 -1.91 -3.45 119.26 110.93 3h96 h ALA 71 Ca -0.55 -0.11 -0.49 0.00 0.00 0.00 0.00 54.91 53.76 3h96 h ALA 71 Cb 1.31 -0.06 -0.15 0.00 0.00 0.00 0.00 17.79 18.89 3h96 h ALA 71 CO 0.46 0.21 -0.75 -1.54 0.00 0.00 0.00 179.25 177.64 3h96 s SER 72 N -6.93 2.81 0.65 0.00 1.04 -1.26 -4.71 113.70 105.29 3h96 s SER 72 Ca -0.05 -1.00 -0.18 0.00 0.48 0.00 0.00 55.95 55.20 3h96 s SER 72 Cb 0.16 -0.18 -0.01 0.00 0.10 0.00 0.00 66.02 66.10 3h96 s SER 72 CO 0.71 -0.11 1.24 0.20 0.98 0.00 0.00 173.24 176.26 3h96 s ASN 73 N -3.28 4.72 0.52 7.02 0.01 -1.26 -4.90 114.94 117.77 3h96 s ASN 73 Ca 0.23 2.48 -0.19 0.00 -0.71 0.00 0.00 52.86 54.68 3h96 s ASN 73 Cb -0.02 -2.60 -0.07 0.00 0.41 0.00 0.00 41.25 38.96 3h96 s ASN 73 CO 0.09 -1.92 1.04 -2.16 -1.51 0.00 0.00 177.10 172.64 3h96 s PRO 74 N -3.48 3.65 0.33 -0.60 0.04 -1.26 -4.95 135.00 128.73 3h96 s PRO 74 Ca 0.79 1.30 0.08 0.00 0.04 0.00 0.00 61.00 63.21 3h96 s PRO 74 Cb -0.33 -2.07 0.81 0.00 0.04 0.00 0.00 34.50 32.94 3h96 s PRO 74 CO 0.39 -0.55 1.80 0.00 0.04 0.00 0.00 177.00 178.67 3h96 h ALA 75 N 1.17 1.79 -0.27 8.56 0.00 -2.01 -1.86 119.26 126.64 3h96 h ALA 75 Ca -0.49 0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.50 3h96 h ALA 75 Cb 1.22 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 3h96 h ALA 75 CO 0.59 -0.13 0.18 0.11 0.00 0.00 0.00 179.25 180.00 3h96 h TRP 76 N 0.70 0.28 -0.10 0.00 5.08 -1.99 -1.63 115.95 118.30 3h96 h TRP 76 Ca 0.55 0.01 -0.00 0.00 1.08 0.00 0.00 58.89 60.52 3h96 h TRP 76 Cb 0.93 -0.09 -0.00 0.00 -3.00 0.00 0.00 29.16 26.99 3h96 h TRP 76 CO -0.00 0.17 0.04 -0.92 -1.28 0.00 0.00 178.44 176.44 3h96 h TYR 77 N 0.29 0.14 -0.25 0.12 3.20 -1.72 -0.10 116.97 118.65 3h96 h TYR 77 Ca 0.11 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.87 3h96 h TYR 77 Cb 0.08 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 3h96 h TYR 77 CO -0.00 0.24 -0.25 1.88 -1.64 0.00 0.00 178.16 178.38 3h96 h TYR 78 N 0.01 0.54 -0.35 -3.82 0.05 -1.45 -1.80 116.97 110.15 3h96 h TYR 78 Ca 0.03 -0.11 -0.06 0.00 0.05 0.00 0.00 58.73 58.64 3h96 h TYR 78 Cb 0.15 -0.13 -0.01 0.00 1.01 0.00 0.00 36.73 37.75 3h96 h TYR 78 CO -0.02 0.69 -0.01 -0.91 -1.05 0.00 0.00 178.16 176.86 3h96 h ASN 79 N 0.43 0.61 -0.39 3.88 2.35 -1.03 -0.27 115.58 121.15 3h96 h ASN 79 Ca 0.06 -0.31 -0.08 0.00 -0.55 0.00 0.00 56.30 55.42 3h96 h ASN 79 Cb 0.67 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.86 3h96 h ASN 79 CO 0.05 0.77 -0.05 -0.07 -1.65 0.00 0.00 177.43 176.48 3h96 h LEU 80 N 0.42 0.73 -0.64 1.61 3.38 -0.92 -2.17 115.31 117.72 3h96 h LEU 80 Ca 0.10 -0.34 -0.12 0.00 0.09 0.00 0.00 57.88 57.61 3h96 h LEU 80 Cb 0.47 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 3h96 h LEU 80 CO 0.02 0.90 -0.56 0.71 0.09 0.00 0.00 178.44 179.60 3h96 h THR 81 N 0.54 1.18 -0.49 0.22 1.35 -1.24 0.30 112.91 114.77 3h96 h THR 81 Ca 0.10 -2.07 -0.07 0.00 -0.55 0.00 0.00 66.41 63.82 3h96 h THR 81 Cb 0.56 2.19 -0.02 0.00 -1.73 0.00 0.00 68.15 69.15 3h96 h THR 81 CO 0.03 0.55 0.01 0.74 -0.25 0.00 0.00 175.52 176.60 3h96 h THR 82 N 0.00 1.26 0.12 6.82 2.02 -0.96 -3.25 112.91 118.92 3h96 h THR 82 Ca -0.01 -1.05 -0.28 0.00 0.77 0.00 0.00 66.41 65.85 3h96 h THR 82 Cb 1.14 0.98 0.00 0.00 -1.74 0.00 0.00 68.15 68.53 3h96 h THR 82 CO 0.07 0.37 -1.29 0.00 0.37 0.00 0.00 175.52 175.04 3h96 h ALA 83 N 0.93 0.14 0.00 6.16 0.00 -1.20 -3.47 119.26 121.82 3h96 h ALA 83 Ca 0.14 -0.93 0.00 0.00 0.00 0.00 0.00 54.91 54.12 3h96 h ALA 83 Cb 0.49 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3h96 h ALA 83 CO 0.02 1.02 0.00 0.41 0.00 0.00 0.00 179.25 180.70 3h96 n GLY 84 N 1.55 2.82 3.38 0.00 0.00 0.08 -4.95 105.19 108.07 3h96 n GLY 84 Ca -0.10 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.83 3h96 n GLY 84 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3h96 s THR 85 N -2.29 0.04 0.25 2.61 -4.23 -1.26 -0.29 115.64 110.47 3h96 s THR 85 Ca 0.00 -1.46 -0.13 0.00 -1.18 0.00 0.00 61.69 58.92 3h96 s THR 85 Cb 0.00 -1.99 0.05 0.00 1.34 0.00 0.00 72.50 71.90 3h96 s THR 85 CO 0.00 -0.20 0.65 0.00 -0.54 0.00 0.00 174.62 174.53 3h96 n ALA 86 N -0.26 -1.55 -2.59 3.99 0.00 -0.18 -4.91 120.51 115.02 3h96 n ALA 86 Ca -0.05 -0.90 -0.22 0.00 0.00 0.00 0.00 53.44 52.27 3h96 n ALA 86 Cb 0.63 0.66 -0.14 0.00 0.00 0.00 0.00 19.45 20.60 3h96 n ALA 86 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3h96 s GLN 87 N -2.06 1.08 0.06 0.00 0.74 -1.24 -0.55 119.66 117.70 3h96 s GLN 87 Ca 0.14 -0.81 0.02 0.00 0.05 0.00 0.00 55.36 54.76 3h96 s GLN 87 Cb -0.03 -1.12 -0.03 0.00 1.10 0.00 0.00 33.01 32.92 3h96 s GLN 87 CO 0.07 0.28 -0.08 0.14 -0.55 0.00 0.00 175.29 175.16 3h96 s VAL 88 N -0.82 0.62 -0.18 1.34 -7.23 0.56 -0.92 120.40 113.77 3h96 s VAL 88 Ca 0.04 -1.39 -0.05 0.00 -1.81 0.00 0.00 61.98 58.77 3h96 s VAL 88 Cb -0.08 -1.00 -0.03 0.00 0.56 0.00 0.00 36.38 35.83 3h96 s VAL 88 CO 0.01 -0.55 0.01 -1.61 -0.31 0.00 0.00 175.10 172.65 3h96 s GLU 89 N -2.37 3.74 -0.05 4.82 2.02 -0.20 -1.14 118.70 125.51 3h96 s GLU 89 Ca -0.02 -0.47 -0.00 0.00 0.02 0.00 0.00 54.97 54.50 3h96 s GLU 89 Cb -0.05 -3.06 0.02 0.00 0.10 0.00 0.00 34.13 31.15 3h96 s GLU 89 CO -0.01 0.17 -0.02 0.08 0.02 0.00 0.00 175.26 175.50 3h96 s VAL 90 N 0.58 0.43 0.00 2.63 1.01 -0.74 -0.79 120.40 123.52 3h96 s VAL 90 Ca -0.00 0.01 0.00 0.00 0.00 0.00 0.00 61.98 61.98 3h96 s VAL 90 Cb -0.14 -0.52 0.00 0.00 0.00 0.00 0.00 36.38 35.72 3h96 s VAL 90 CO 0.02 0.23 0.00 0.61 0.00 0.00 0.00 175.10 175.96 3h96 n GLY 91 N 4.53 2.57 0.76 4.51 0.00 -1.26 -0.98 105.19 115.31 3h96 n GLY 91 Ca -0.18 -0.28 0.13 0.00 0.00 0.00 0.00 46.02 45.69 3h96 n GLY 91 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3h96 n THR 92 N 0.00 0.09 -4.21 2.61 -2.24 -1.26 -3.49 114.28 105.78 3h96 n THR 92 Ca 0.00 -0.42 -0.24 0.00 -2.27 0.00 0.00 64.05 61.12 3h96 n THR 92 Cb 0.00 0.92 -0.06 0.00 -2.10 0.00 0.00 70.33 69.09 3h96 n THR 92 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3h96 s GLU 93 N -1.91 2.54 -0.05 -0.78 2.02 -0.16 -5.12 118.70 115.24 3h96 s GLU 93 Ca 0.34 -1.20 0.05 0.00 0.02 0.00 0.00 54.97 54.18 3h96 s GLU 93 Cb 0.20 -2.36 -0.01 0.00 0.10 0.00 0.00 34.13 32.07 3h96 s GLU 93 CO 0.31 0.41 -0.20 0.99 0.02 0.00 0.00 175.26 176.78 3h96 s THR 94 N -2.08 1.68 0.11 3.63 2.01 -1.26 -1.80 115.64 117.93 3h96 s THR 94 Ca 0.31 -0.86 -0.11 0.00 0.31 0.00 0.00 61.69 61.33 3h96 s THR 94 Cb -0.08 -1.43 0.01 0.00 0.01 0.00 0.00 72.50 71.02 3h96 s THR 94 CO 0.21 0.47 0.27 -0.72 -0.69 0.00 0.00 174.62 174.17 3h96 s TYR 95 N -0.08 0.04 0.52 4.92 1.13 -0.30 -4.98 117.35 118.61 3h96 s TYR 95 Ca -0.03 -0.43 -0.18 0.00 -1.41 0.00 0.00 57.07 55.02 3h96 s TYR 95 Cb -0.12 0.06 -0.07 0.00 -1.10 0.00 0.00 41.96 40.73 3h96 s TYR 95 CO 0.02 -0.62 1.02 0.00 -2.51 0.00 0.00 175.55 173.47 3h96 s ALA 96 N -3.85 2.91 0.01 9.51 0.00 -1.26 -0.32 121.76 128.75 3h96 s ALA 96 Ca 0.05 0.40 -0.00 0.00 0.00 0.00 0.00 51.96 52.41 3h96 s ALA 96 Cb 0.04 -3.20 -0.01 0.00 0.00 0.00 0.00 23.12 19.95 3h96 s ALA 96 CO -0.10 -0.38 -0.01 0.14 0.00 0.00 0.00 175.76 175.40 3h96 s VAL 97 N -2.33 0.04 0.18 0.00 -7.23 0.29 -1.23 120.40 110.12 3h96 s VAL 97 Ca 0.63 -0.32 -0.23 0.00 -1.81 0.00 0.00 61.98 60.25 3h96 s VAL 97 Cb -0.13 -0.10 -0.08 0.00 0.56 0.00 0.00 36.38 36.62 3h96 s VAL 97 CO 0.27 -0.18 0.74 -0.83 -0.31 0.00 0.00 175.10 174.80 3h96 s GLY 98 N -0.52 2.78 -0.16 2.32 0.00 0.43 -1.01 107.32 111.17 3h96 s GLY 98 Ca -0.06 0.26 -0.03 0.00 0.00 0.00 0.00 44.72 44.90 3h96 s GLY 98 CO -0.00 0.71 -0.07 0.14 0.00 0.00 0.00 173.10 173.88 3h96 s VAL 99 N -1.29 3.53 0.08 1.40 1.01 0.60 -0.81 120.40 124.91 3h96 s VAL 99 Ca 0.38 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 61.90 3h96 s VAL 99 Cb -0.20 -2.54 -0.03 0.00 0.00 0.00 0.00 36.38 33.61 3h96 s VAL 99 CO 0.24 0.49 -0.08 0.42 0.00 0.00 0.00 175.10 176.17 3h96 s THR 100 N 0.53 0.70 -0.03 3.92 -4.23 -0.77 -4.80 115.64 110.95 3h96 s THR 100 Ca -0.05 -1.54 -0.09 0.00 -1.18 0.00 0.00 61.69 58.83 3h96 s THR 100 Cb -0.15 -1.20 -0.05 0.00 1.34 0.00 0.00 72.50 72.44 3h96 s THR 100 CO 0.03 -0.61 0.27 -0.70 -0.54 0.00 0.00 174.62 173.06 3h96 s GLU 101 N -2.73 3.62 -0.16 3.99 2.12 -1.26 -0.89 118.70 123.39 3h96 s GLU 101 Ca 0.02 0.03 -0.08 0.00 0.36 0.00 0.00 54.97 55.30 3h96 s GLU 101 Cb -0.02 -3.14 -0.04 0.00 0.26 0.00 0.00 34.13 31.18 3h96 s GLU 101 CO -0.02 0.70 0.13 0.08 -0.54 0.00 0.00 175.26 175.61 3h96 s VAL 102 N -1.17 5.39 0.28 3.70 1.01 -0.38 -4.90 120.40 124.33 3h96 s VAL 102 Ca 0.23 0.18 0.04 0.00 0.00 0.00 0.00 61.98 62.42 3h96 s VAL 102 Cb -0.14 -3.40 -0.06 0.00 0.00 0.00 0.00 36.38 32.79 3h96 s VAL 102 CO 0.12 0.54 0.03 0.42 0.00 0.00 0.00 175.10 176.20 3h96 s THR 103 N -0.37 1.10 0.00 3.92 -4.23 -1.26 -4.31 115.64 110.49 3h96 s THR 103 Ca 0.11 -2.02 0.00 0.00 -1.18 0.00 0.00 61.69 58.60 3h96 s THR 103 Cb -0.12 -2.58 0.00 0.00 1.34 0.00 0.00 72.50 71.14 3h96 s THR 103 CO 0.01 -0.15 0.00 0.61 -0.54 0.00 0.00 174.62 174.56 3h96 n GLY 104 N -0.55 1.76 0.26 3.99 0.00 -1.26 -2.79 105.19 106.61 3h96 n GLY 104 Ca -0.03 -0.60 -0.08 0.00 0.00 0.00 0.00 46.02 45.31 3h96 n GLY 104 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3h96 h GLU 105 N 0.00 -0.24 -0.62 1.61 4.57 -1.99 -1.33 114.58 116.58 3h96 h GLU 105 Ca 0.00 0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.18 3h96 h GLU 105 Cb 0.00 0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.61 3h96 h GLU 105 CO 0.00 -0.16 0.33 -0.44 -1.18 0.00 0.00 179.01 177.56 3h96 h ASP 106 N -0.24 0.77 -0.29 1.04 3.45 -1.97 -1.00 116.42 118.17 3h96 h ASP 106 Ca 0.13 -0.06 -0.02 0.00 0.43 0.00 0.00 57.03 57.51 3h96 h ASP 106 Cb 0.44 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 39.00 3h96 h ASP 106 CO -0.36 0.63 0.10 -0.09 -1.57 0.00 0.00 179.24 177.96 3h96 h ARG 107 N 0.87 0.44 -0.47 3.56 2.43 -1.21 -2.42 114.38 117.58 3h96 h ARG 107 Ca 0.22 -0.09 -0.05 0.00 -0.81 0.00 0.00 59.98 59.25 3h96 h ARG 107 Cb 0.04 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 3h96 h ARG 107 CO -0.03 0.48 0.09 -0.44 -1.51 0.00 0.00 179.97 178.56 3h96 h ASP 108 N 0.31 0.67 -0.13 -3.80 3.32 -0.67 0.22 116.42 116.34 3h96 h ASP 108 Ca 0.09 -0.12 -0.03 0.00 0.02 0.00 0.00 57.03 56.99 3h96 h ASP 108 Cb 0.21 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.59 3h96 h ASP 108 CO -0.01 0.68 -0.05 -0.09 -1.72 0.00 0.00 179.24 178.05 3h96 h ARG 109 N 0.70 0.27 0.26 3.56 2.43 -1.09 0.77 114.38 121.28 3h96 h ARG 109 Ca 0.15 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 3h96 h ARG 109 Cb 0.29 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 3h96 h ARG 109 CO 0.00 0.59 -0.13 0.82 -1.51 0.00 0.00 179.97 179.75 3h96 h ILE 110 N -0.07 0.79 -0.53 1.20 2.04 -1.18 -1.59 117.51 118.17 3h96 h ILE 110 Ca 0.03 -0.40 0.10 0.00 1.00 0.00 0.00 64.86 65.59 3h96 h ILE 110 Cb 0.50 1.02 -0.08 0.00 -0.74 0.00 0.00 36.82 37.52 3h96 h ILE 110 CO 0.02 0.09 0.05 0.22 0.00 0.00 0.00 178.15 178.52 3h96 h TYR 111 N -0.56 0.06 -0.71 1.37 5.03 -0.95 -0.16 116.97 121.05 3h96 h TYR 111 Ca -0.04 0.04 0.05 0.00 2.58 0.00 0.00 58.73 61.36 3h96 h TYR 111 Cb 0.41 0.05 -0.05 0.00 1.55 0.00 0.00 36.73 38.69 3h96 h TYR 111 CO -0.00 -0.08 0.42 0.77 -1.32 0.00 0.00 178.16 177.95 3h96 h SER 112 N 0.17 0.65 -0.30 -2.11 0.02 -0.65 0.15 113.55 111.49 3h96 h SER 112 Ca 0.27 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.23 3h96 h SER 112 Cb 0.40 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 3h96 h SER 112 CO -0.40 0.42 0.16 -0.08 -1.14 0.00 0.00 176.83 175.79 3h96 h GLU 113 N 0.78 0.42 -0.65 3.45 4.57 -0.63 0.52 114.58 123.05 3h96 h GLU 113 Ca 0.31 -0.06 0.05 0.00 -1.18 0.00 0.00 59.36 58.48 3h96 h GLU 113 Cb 0.15 -0.08 -0.05 0.00 -0.16 0.00 0.00 28.75 28.61 3h96 h GLU 113 CO -0.16 0.38 0.37 0.37 -1.18 0.00 0.00 179.01 178.79 3h96 h GLN 114 N 0.36 0.67 -0.05 1.92 5.75 -0.44 -1.99 115.11 121.32 3h96 h GLN 114 Ca 0.10 -0.04 -0.08 0.00 -0.15 0.00 0.00 58.65 58.48 3h96 h GLN 114 Cb 0.09 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 28.48 3h96 h GLN 114 CO -0.02 0.45 -0.34 0.00 -2.65 0.00 0.00 178.83 176.27 3h96 h ALA 115 N 1.32 1.35 -0.35 3.38 0.00 -0.46 0.05 119.26 124.55 3h96 h ALA 115 Ca 0.28 -0.33 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 3h96 h ALA 115 Cb 0.14 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3h96 h ALA 115 CO -0.16 0.47 -0.29 -0.09 0.00 0.00 0.00 179.25 179.18 3h96 h ARG 116 N 0.08 0.74 0.05 0.00 2.43 -0.20 -1.85 114.38 115.64 3h96 h ARG 116 Ca 0.01 -0.33 -0.23 0.00 -0.81 0.00 0.00 59.98 58.62 3h96 h ARG 116 Cb 0.64 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.16 3h96 h ARG 116 CO 0.05 0.94 -1.07 0.00 -1.51 0.00 0.00 179.97 178.38 3h96 h ARG 117 N 0.63 0.14 -2.72 0.20 3.08 -0.81 -3.40 114.38 111.50 3h96 h ARG 117 Ca 0.08 -0.22 -0.60 0.00 0.07 0.00 0.00 59.98 59.31 3h96 h ARG 117 Cb 0.81 0.08 -0.39 0.00 0.08 0.00 0.00 29.97 30.54 3h96 h ARG 117 CO 0.07 1.07 -0.81 0.71 -1.07 0.00 0.00 179.97 179.93 3h96 s TYR 118 N -2.79 1.55 0.48 3.04 1.51 -0.05 -5.01 117.35 116.09 3h96 s TYR 118 Ca -0.02 -2.27 0.37 0.00 -1.01 0.00 0.00 57.07 54.15 3h96 s TYR 118 Cb 0.09 -1.44 2.03 0.00 -0.11 0.00 0.00 41.96 42.53 3h96 s TYR 118 CO 0.85 -0.78 2.14 -1.35 -1.11 0.00 0.00 175.55 175.29 3h96 h PRO 119 N 6.38 0.00 -1.50 -1.71 0.11 -1.55 0.25 132.00 133.98 3h96 h PRO 119 Ca 0.10 0.00 0.45 0.00 0.11 0.00 0.00 66.00 66.66 3h96 h PRO 119 Cb 0.92 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 31.94 3h96 h PRO 119 CO 0.42 0.00 1.05 0.78 -0.21 0.00 0.00 178.00 180.04 3h96 h GLY 120 N 0.00 0.41 2.00 -0.55 0.00 -1.94 0.70 103.07 103.69 3h96 h GLY 120 Ca 0.00 -0.04 -0.12 0.00 0.00 0.00 0.00 47.33 47.17 3h96 h GLY 120 CO 0.00 -0.11 -0.55 0.74 0.00 0.00 0.00 176.54 176.62 3h96 h PHE 121 N 0.05 0.00 -0.54 5.60 0.04 -1.23 -2.05 116.94 118.81 3h96 h PHE 121 Ca 0.77 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 61.42 3h96 h PHE 121 Cb 2.85 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 40.98 3h96 h PHE 121 CO -0.00 0.55 -0.12 0.00 -0.60 0.00 0.00 178.31 178.14 3h96 h ALA 122 N 1.45 0.74 -0.35 2.45 0.00 -1.04 -2.79 119.26 119.71 3h96 h ALA 122 Ca -0.01 -0.36 0.07 0.00 0.00 0.00 0.00 54.91 54.62 3h96 h ALA 122 Cb 1.22 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.75 3h96 h ALA 122 CO 0.07 0.66 -0.08 0.22 0.00 0.00 0.00 179.25 180.12 3h96 h ASP 123 N 0.91 -0.31 -0.89 0.00 3.58 -1.26 -2.03 116.42 116.42 3h96 h ASP 123 Ca 0.14 0.10 0.15 0.00 0.42 0.00 0.00 57.03 57.84 3h96 h ASP 123 Cb 0.69 0.21 -0.07 0.00 1.72 0.00 0.00 39.33 41.88 3h96 h ASP 123 CO 0.05 -0.11 0.57 1.88 -2.88 0.00 0.00 179.24 178.75 3h96 h TYR 124 N 0.01 0.80 -0.11 0.28 0.05 -1.12 -0.29 116.97 116.57 3h96 h TYR 124 Ca 0.17 0.02 -0.15 0.00 0.05 0.00 0.00 58.73 58.82 3h96 h TYR 124 Cb 0.26 -0.25 -0.01 0.00 1.01 0.00 0.00 36.73 37.74 3h96 h TYR 124 CO -0.32 0.29 -0.59 0.93 -1.05 0.00 0.00 178.16 177.43 3h96 h GLU 125 N 0.67 0.37 -0.03 4.88 5.08 -1.18 -2.34 114.58 122.02 3h96 h GLU 125 Ca 0.45 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 3h96 h GLU 125 Cb 0.75 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.03 3h96 h GLU 125 CO -0.20 0.85 0.02 0.87 -1.00 0.00 0.00 179.01 179.54 3h96 h LYS 126 N 0.27 0.04 -0.33 2.33 1.57 -0.45 -2.91 116.57 117.11 3h96 h LYS 126 Ca -0.00 -0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.81 3h96 h LYS 126 Cb 1.10 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.39 3h96 h LYS 126 CO 0.10 0.04 0.22 0.87 -0.57 0.00 0.00 179.45 180.11 3h96 h LYS 127 N 0.03 0.29 -0.37 3.15 1.57 -0.82 -2.70 116.57 117.72 3h96 h LYS 127 Ca 0.01 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3h96 h LYS 127 Cb 0.01 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.26 3h96 h LYS 127 CO -0.00 0.19 0.00 0.25 -0.57 0.00 0.00 179.45 179.32 3h96 n THR 128 N -4.49 0.49 -2.25 -0.16 -2.24 -0.91 -4.92 114.28 99.81 3h96 n THR 128 Ca 0.03 -0.63 -0.41 0.00 -2.27 0.00 0.00 64.05 60.76 3h96 n THR 128 Cb 0.18 0.65 -0.03 0.00 -2.10 0.00 0.00 70.33 69.02 3h96 n THR 128 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3h96 s ALA 129 N -1.51 3.51 0.00 6.98 0.00 -1.02 0.28 121.76 129.99 3h96 s ALA 129 Ca 0.37 1.07 0.00 0.00 0.00 0.00 0.00 51.96 53.40 3h96 s ALA 129 Cb 0.20 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.85 3h96 s ALA 129 CO 0.28 -0.51 0.00 0.41 0.00 0.00 0.00 175.76 175.95 3h96 n GLY 130 N 2.37 1.77 0.86 0.00 0.00 -1.26 -4.80 105.19 104.13 3h96 n GLY 130 Ca 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.06 3h96 n GLY 130 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3h96 n ILE 131 N -2.00 1.19 -3.63 -0.61 5.41 0.14 -5.10 119.36 114.76 3h96 n ILE 131 Ca 0.00 0.32 -0.15 0.00 1.00 0.00 0.00 62.75 63.92 3h96 n ILE 131 Cb 0.00 -1.72 -0.07 0.00 -0.71 0.00 0.00 39.64 37.14 3h96 n ILE 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3h96 s ARG 132 N -2.17 0.91 -0.06 0.38 1.70 0.03 -5.10 118.95 114.64 3h96 s ARG 132 Ca -0.06 -0.10 -0.23 0.00 -0.47 0.00 0.00 55.73 54.87 3h96 s ARG 132 Cb 0.01 0.42 -0.04 0.00 -0.57 0.00 0.00 34.95 34.77 3h96 s ARG 132 CO 0.08 -0.29 0.69 0.99 -1.08 0.00 0.00 175.30 175.69 3h96 s THR 133 N -1.75 5.04 -0.11 4.99 2.01 -1.26 -4.51 115.64 120.05 3h96 s THR 133 Ca -0.09 1.42 -0.29 0.00 0.31 0.00 0.00 61.69 63.03 3h96 s THR 133 Cb -0.02 -4.03 -0.05 0.00 0.01 0.00 0.00 72.50 68.42 3h96 s THR 133 CO 0.03 0.26 1.67 -0.63 -0.69 0.00 0.00 174.62 175.27 3h96 s ILE 134 N 0.73 3.58 0.41 1.82 1.01 -1.26 -4.96 121.20 122.53 3h96 s ILE 134 Ca 0.37 0.68 -0.25 0.00 0.00 0.00 0.00 60.65 61.45 3h96 s ILE 134 Cb -0.18 -3.50 -0.08 0.00 0.01 0.00 0.00 42.46 38.71 3h96 s ILE 134 CO 0.18 -0.13 1.23 -2.84 0.00 0.00 0.00 174.94 173.38 3h96 s PRO 135 N 4.34 3.95 -0.11 2.79 0.02 -1.26 -4.84 135.00 139.89 3h96 s PRO 135 Ca 0.74 1.97 0.02 0.00 0.02 0.00 0.00 61.00 63.76 3h96 s PRO 135 Cb -0.31 -2.66 -0.01 0.00 0.02 0.00 0.00 34.50 31.54 3h96 s PRO 135 CO 0.30 -0.45 -0.18 0.08 -0.33 0.00 0.00 177.00 176.42 3h96 s VAL 136 N -1.36 2.61 -0.02 3.83 1.01 -1.26 -0.65 120.40 124.56 3h96 s VAL 136 Ca 0.58 -0.83 0.04 0.00 0.00 0.00 0.00 61.98 61.77 3h96 s VAL 136 Cb -0.34 -2.05 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 3h96 s VAL 136 CO 0.43 0.54 -0.12 -0.76 0.00 0.00 0.00 175.10 175.19 3h96 s LEU 137 N 0.25 2.86 -0.26 3.92 1.43 -0.11 -1.25 118.68 125.52 3h96 s LEU 137 Ca -0.12 -0.20 -0.14 0.00 -1.03 0.00 0.00 54.13 52.64 3h96 s LEU 137 Cb -0.16 -1.62 -0.04 0.00 0.03 0.00 0.00 46.19 44.39 3h96 s LEU 137 CO 0.07 0.32 0.32 0.00 0.23 0.00 0.00 176.35 177.28 3h96 s ALA 138 N -0.83 3.56 -0.35 4.21 0.00 -0.07 -1.10 121.76 127.18 3h96 s ALA 138 Ca 0.13 -0.86 -0.09 0.00 0.00 0.00 0.00 51.96 51.14 3h96 s ALA 138 Cb -0.11 -2.62 0.02 0.00 0.00 0.00 0.00 23.12 20.42 3h96 s ALA 138 CO 0.03 -0.57 0.16 -0.51 0.00 0.00 0.00 175.76 174.88 3h96 s LEU 139 N 1.85 4.45 -0.26 0.00 1.43 0.61 -1.85 118.68 124.91 3h96 s LEU 139 Ca 0.13 -0.93 -0.09 0.00 -1.03 0.00 0.00 54.13 52.21 3h96 s LEU 139 Cb -0.16 -1.97 -0.04 0.00 0.03 0.00 0.00 46.19 44.06 3h96 s LEU 139 CO 0.10 -0.32 0.11 -0.89 0.23 0.00 0.00 176.35 175.57 3h96 s THR 140 N 1.52 4.66 0.19 5.49 2.01 0.01 -1.32 115.64 128.21 3h96 s THR 140 Ca 0.02 -0.05 -0.32 0.00 0.31 0.00 0.00 61.69 61.64 3h96 s THR 140 Cb -0.19 -3.20 -0.12 0.00 0.01 0.00 0.00 72.50 69.00 3h96 s THR 140 CO 0.05 0.31 1.70 -1.14 -0.69 0.00 0.00 174.62 174.85 3h96 n ARG 141 N 4.97 2.63 0.00 4.92 0.63 0.46 -0.43 116.66 129.84 3h96 n ARG 141 Ca -0.15 0.95 0.00 0.00 -0.92 0.00 0.00 57.85 57.73 3h96 n ARG 141 Cb 0.52 -2.78 0.00 0.00 0.45 0.00 0.00 32.46 30.65 3h96 n ARG 141 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37