#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h39 s PRO 23 N 0.00 3.54 -0.10 -1.46 0.04 -1.26 -4.91 135.00 130.84 2h39 s PRO 23 Ca 0.00 0.87 -0.26 0.00 0.04 0.00 0.00 61.00 61.65 2h39 s PRO 23 Cb 0.00 -2.07 0.06 0.00 0.04 0.00 0.00 34.50 32.53 2h39 s PRO 23 CO 0.00 -0.62 0.61 -2.00 0.04 0.00 0.00 177.00 175.04 2h39 s GLU 24 N -4.83 0.90 -0.12 4.56 2.12 -0.69 -5.00 118.70 115.64 2h39 s GLU 24 Ca 0.57 0.39 -0.03 0.00 0.36 0.00 0.00 54.97 56.26 2h39 s GLU 24 Cb -0.12 0.43 -0.03 0.00 0.26 0.00 0.00 34.13 34.67 2h39 s GLU 24 CO 0.48 -0.23 0.00 -0.51 -0.54 0.00 0.00 175.26 174.46 2h39 s LEU 25 N -0.73 3.53 0.03 2.70 1.02 -1.26 -0.38 118.68 123.59 2h39 s LEU 25 Ca -0.08 0.06 0.03 0.00 0.02 0.00 0.00 54.13 54.16 2h39 s LEU 25 Cb -0.02 -1.83 -0.02 0.00 0.02 0.00 0.00 46.19 44.34 2h39 s LEU 25 CO 0.06 0.29 -0.09 -0.13 0.02 0.00 0.00 176.35 176.50 2h39 s ARG 26 N -0.35 0.65 0.15 1.70 0.52 -0.71 -4.95 118.95 115.95 2h39 s ARG 26 Ca 0.07 -0.60 0.06 0.00 -0.52 0.00 0.00 55.73 54.74 2h39 s ARG 26 Cb -0.12 -0.56 -0.04 0.00 0.52 0.00 0.00 34.95 34.74 2h39 s ARG 26 CO 0.02 0.13 -0.12 0.21 0.02 0.00 0.00 175.30 175.56 2h39 s LYS 27 N -1.01 1.08 -0.09 3.54 2.20 -1.26 -0.80 119.74 123.40 2h39 s LYS 27 Ca -0.02 -1.39 -0.08 0.00 -0.36 0.00 0.00 55.97 54.11 2h39 s LYS 27 Cb -0.07 -0.81 0.02 0.00 -1.51 0.00 0.00 37.83 35.47 2h39 s LYS 27 CO 0.01 0.13 0.24 0.34 -0.36 0.00 0.00 175.35 175.71 2h39 s ASP 28 N -2.90 -0.25 0.43 1.43 -1.08 -1.25 -4.68 116.67 108.37 2h39 s ASP 28 Ca 0.14 0.48 0.15 0.00 -0.52 0.00 0.00 52.55 52.80 2h39 s ASP 28 Cb -0.01 0.49 1.04 0.00 -1.46 0.00 0.00 42.92 42.98 2h39 s ASP 28 CO 0.03 -0.09 1.95 -0.65 0.52 0.00 0.00 175.17 176.92 2h39 h PRO 29 N 5.72 0.40 -0.24 4.34 0.11 -1.95 0.30 132.00 140.67 2h39 h PRO 29 Ca -0.26 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.79 2h39 h PRO 29 Cb 1.19 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 2h39 h PRO 29 CO 0.36 0.27 -0.00 0.28 -0.21 0.00 0.00 178.00 178.69 2h39 h VAL 30 N 0.41 1.26 0.00 3.15 2.07 -1.86 -3.02 116.25 118.25 2h39 h VAL 30 Ca 0.33 -0.91 -0.17 0.00 0.82 0.00 0.00 66.70 66.77 2h39 h VAL 30 Cb 0.71 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.83 2h39 h VAL 30 CO -0.10 0.28 -0.84 0.71 0.02 0.00 0.00 177.57 177.64 2h39 h THR 31 N 0.21 1.28 -5.59 2.57 1.35 -1.85 -3.35 112.91 107.54 2h39 h THR 31 Ca 0.07 -2.85 -0.42 0.00 -0.55 0.00 0.00 66.41 62.66 2h39 h THR 31 Cb 0.42 2.63 -0.02 0.00 -1.73 0.00 0.00 68.15 69.44 2h39 h THR 31 CO 0.01 0.73 -0.65 -3.20 -0.25 0.00 0.00 175.52 172.16 2h39 n ASN 32 N -3.27 -4.88 -3.70 5.36 5.15 0.10 -4.75 115.26 109.28 2h39 n ASN 32 Ca -0.00 -0.53 -0.14 0.00 -0.60 0.00 0.00 54.58 53.31 2h39 n ASN 32 Cb 0.86 -3.94 -0.08 0.00 -0.53 0.00 0.00 39.78 36.09 2h39 n ASN 32 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2h39 s ARG 33 N -6.20 0.77 0.41 1.20 1.70 -1.25 -4.98 118.95 110.59 2h39 s ARG 33 Ca 0.50 -0.10 -0.25 0.00 -0.47 0.00 0.00 55.73 55.41 2h39 s ARG 33 Cb -0.25 0.35 -0.08 0.00 -0.57 0.00 0.00 34.95 34.40 2h39 s ARG 33 CO 0.61 -0.22 1.16 -1.58 -1.08 0.00 0.00 175.30 174.18 2h39 s TRP 34 N -1.37 3.06 0.10 5.89 0.52 -1.26 -3.94 118.94 121.94 2h39 s TRP 34 Ca -0.13 1.56 0.08 0.00 0.02 0.00 0.00 56.10 57.64 2h39 s TRP 34 Cb -0.04 -3.36 -0.03 0.00 -1.15 0.00 0.00 33.47 28.88 2h39 s TRP 34 CO 0.05 -1.27 -0.21 0.54 0.02 0.00 0.00 176.95 176.08 2h39 s VAL 35 N -1.46 1.73 -0.31 4.03 0.11 0.02 -4.51 120.40 120.01 2h39 s VAL 35 Ca 0.58 -1.54 -0.12 0.00 -2.93 0.00 0.00 61.98 57.97 2h39 s VAL 35 Cb -0.29 -1.56 -0.03 0.00 -1.53 0.00 0.00 36.38 32.96 2h39 s VAL 35 CO 0.37 -0.05 0.23 -0.63 -3.33 0.00 0.00 175.10 171.69 2h39 s ILE 36 N -1.15 5.29 -0.16 7.04 1.01 -0.80 -1.74 121.20 130.68 2h39 s ILE 36 Ca 0.07 -0.01 -0.21 0.00 0.00 0.00 0.00 60.65 60.49 2h39 s ILE 36 Cb -0.10 -3.64 -0.03 0.00 0.01 0.00 0.00 42.46 38.70 2h39 s ILE 36 CO 0.04 0.10 0.64 -0.36 0.00 0.00 0.00 174.94 175.36 2h39 s PHE 37 N 1.77 3.43 -0.39 3.97 0.08 0.49 -0.20 117.98 127.13 2h39 s PHE 37 Ca 0.07 1.00 0.04 0.00 0.12 0.00 0.00 56.93 58.16 2h39 s PHE 37 Cb -0.17 -2.79 0.16 0.00 -0.57 0.00 0.00 43.02 39.66 2h39 s PHE 37 CO 0.11 -0.09 0.41 0.45 -0.10 0.00 0.00 175.22 175.99 2h39 s SER 38 N 1.06 0.91 0.53 1.36 0.15 -0.40 -1.71 113.70 115.60 2h39 s SER 38 Ca 0.31 -1.78 0.21 0.00 0.70 0.00 0.00 55.95 55.38 2h39 s SER 38 Cb -0.16 0.58 1.35 0.00 -1.71 0.00 0.00 66.02 66.08 2h39 s SER 38 CO 0.12 -0.23 2.08 -0.65 1.20 0.00 0.00 173.24 175.77 2h39 h PRO 39 N 6.68 0.00 -0.08 5.44 0.11 -1.78 -2.41 132.00 139.97 2h39 h PRO 39 Ca 0.08 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.21 2h39 h PRO 39 Cb 1.04 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 2h39 h PRO 39 CO 0.20 0.00 0.11 0.00 -0.21 0.00 0.00 178.00 178.10 2h39 h ALA 40 N 1.88 1.53 -0.07 -0.75 0.00 -1.95 -2.24 119.26 117.66 2h39 h ALA 40 Ca 0.11 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 2h39 h ALA 40 Cb 0.45 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2h39 h ALA 40 CO -0.00 -0.15 -0.20 0.00 0.00 0.00 0.00 179.25 178.90 2h39 h ARG 41 N 0.00 0.12 0.00 0.00 2.47 -1.80 -0.77 114.38 114.40 2h39 h ARG 41 Ca 0.04 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 2h39 h ARG 41 Cb 0.25 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.56 2h39 h ARG 41 CO -0.00 0.33 0.00 0.00 0.56 0.00 0.00 179.97 180.86 2h39 n ALA 42 N -2.49 1.56 0.29 0.04 0.00 -0.84 -2.91 120.51 116.16 2h39 n ALA 42 Ca -0.02 -0.04 0.11 0.00 0.00 0.00 0.00 53.44 53.50 2h39 n ALA 42 Cb 0.30 -1.18 -0.01 0.00 0.00 0.00 0.00 19.45 18.56 2h39 n ALA 42 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2h39 n LYS 43 N -1.43 0.47 -1.70 0.00 4.76 -0.29 -4.98 118.16 114.99 2h39 n LYS 43 Ca 0.04 0.02 -0.38 0.00 -2.87 0.00 0.00 58.31 55.11 2h39 n LYS 43 Cb 0.12 -1.68 0.06 0.00 -1.84 0.00 0.00 35.03 31.69 2h39 n LYS 43 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 2h39 n ARG 44 N -2.30 1.25 -1.97 1.97 1.85 -1.15 -4.99 116.66 111.34 2h39 n ARG 44 Ca 0.00 0.48 -0.30 0.00 -1.00 0.00 0.00 57.85 57.03 2h39 n ARG 44 Cb 0.50 -2.45 0.04 0.00 -1.05 0.00 0.00 32.46 29.51 2h39 n ARG 44 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 2h39 s PRO 45 N -3.03 2.88 -0.01 2.89 0.04 -1.26 -5.11 135.00 131.40 2h39 s PRO 45 Ca 0.77 0.39 0.04 0.00 0.04 0.00 0.00 61.00 62.25 2h39 s PRO 45 Cb -0.41 -2.06 -0.01 0.00 0.04 0.00 0.00 34.50 32.06 2h39 s PRO 45 CO 0.45 -0.97 -0.15 -0.08 0.04 0.00 0.00 177.00 176.29 2h39 s THR 46 N -3.30 1.15 -1.30 1.26 -1.32 -1.26 -5.02 115.64 105.85 2h39 s THR 46 Ca 0.57 -0.63 0.24 0.00 -1.21 0.00 0.00 61.69 60.67 2h39 s THR 46 Cb -0.11 -0.96 0.36 0.00 -1.51 0.00 0.00 72.50 70.28 2h39 s THR 46 CO 0.51 0.32 1.81 0.47 -2.21 0.00 0.00 174.62 175.51 2h39 n ASP 47 N 2.70 0.00 -2.29 8.08 8.00 -1.26 -5.33 116.55 126.46 2h39 n ASP 47 Ca -0.14 0.11 -0.03 0.00 0.71 0.00 0.00 54.79 55.43 2h39 n ASP 47 Cb 0.55 -0.35 -0.01 0.00 -0.02 0.00 0.00 41.12 41.29 2h39 n ASP 47 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2h39 n PHE 48 N -1.35 -0.19 -0.24 1.24 3.01 -1.26 -5.40 117.46 113.27 2h39 n PHE 48 Ca 0.10 -0.26 -0.08 0.00 1.01 0.00 0.00 57.45 58.21 2h39 n PHE 48 Cb 0.22 -0.04 0.01 0.00 -0.01 0.00 0.00 39.48 39.66 2h39 n PHE 48 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2h39 n SER 62 N -1.23 -1.26 -3.62 4.37 2.88 -1.26 -5.30 113.62 108.20 2h39 n SER 62 Ca -0.02 0.07 -0.08 0.00 -1.33 0.00 0.00 58.87 57.51 2h39 n SER 62 Cb 0.07 -0.18 -0.01 0.00 -0.75 0.00 0.00 64.21 63.34 2h39 n SER 62 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2h39 n PRO 64 N -0.47 0.06 0.01 0.00 -0.02 -1.26 -2.04 135.00 131.28 2h39 n PRO 64 Ca -0.05 0.53 0.11 0.00 -2.02 0.00 0.00 63.50 62.07 2h39 n PRO 64 Cb 0.60 -1.74 0.08 0.00 -0.02 0.00 0.00 33.50 32.41 2h39 n PRO 64 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2h39 n PHE 65 N -1.78 0.14 -1.86 6.00 3.72 -1.26 -4.39 117.46 118.02 2h39 n PHE 65 Ca -0.01 0.04 -0.34 0.00 -0.05 0.00 0.00 57.45 57.09 2h39 n PHE 65 Cb 0.07 -0.30 0.04 0.00 -0.94 0.00 0.00 39.48 38.35 2h39 n PHE 65 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2h39 s ILE 67 N -2.08 2.41 0.00 0.00 2.07 -0.91 -1.94 121.20 120.74 2h39 s ILE 67 Ca 0.70 0.30 0.00 0.00 -1.41 0.00 0.00 60.65 60.25 2h39 s ILE 67 Cb -0.23 -3.20 0.00 0.00 0.13 0.00 0.00 42.46 39.16 2h39 s ILE 67 CO 0.37 0.03 0.00 0.61 -1.91 0.00 0.00 174.94 174.04 2h39 n GLY 68 N 3.56 3.35 0.68 1.50 0.00 -1.26 -4.87 105.19 108.15 2h39 n GLY 68 Ca 0.13 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.24 2h39 n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2h39 n ARG 69 N -1.77 1.87 0.19 1.61 1.74 -0.82 -4.52 116.66 114.95 2h39 n ARG 69 Ca 0.00 -1.34 0.15 0.00 -0.77 0.00 0.00 57.85 55.89 2h39 n ARG 69 Cb 0.00 -1.35 0.51 0.00 -1.02 0.00 0.00 32.46 30.61 2h39 n ARG 69 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2h39 h GLU 70 N 2.37 0.00 0.00 5.56 3.07 -1.77 0.78 114.58 124.60 2h39 h GLU 70 Ca 0.00 0.00 -0.13 0.00 -0.50 0.00 0.00 59.36 58.73 2h39 h GLU 70 Cb 0.53 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.42 2h39 h GLU 70 CO 0.00 0.00 -0.61 1.96 -1.40 0.00 0.00 179.01 178.96 2h39 h GLN 71 N 0.00 0.00 0.00 2.33 1.08 -1.91 -2.86 115.11 113.76 2h39 h GLN 71 Ca 0.13 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.33 2h39 h GLN 71 Cb 1.52 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.95 2h39 h GLN 71 CO -0.00 0.61 0.00 0.39 -0.95 0.00 0.00 178.83 178.88 2h39 n GLU 72 N -3.73 0.60 -4.28 1.46 1.02 0.27 -4.85 120.64 111.13 2h39 n GLU 72 Ca -0.01 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.90 2h39 n GLU 72 Cb 0.62 -1.33 -0.07 0.00 -0.02 0.00 0.00 31.44 30.64 2h39 n GLU 72 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2h39 s ALA 74 N -2.23 1.29 0.10 0.00 0.00 -1.26 -4.92 121.76 114.74 2h39 s ALA 74 Ca 0.31 0.09 -0.36 0.00 0.00 0.00 0.00 51.96 52.00 2h39 s ALA 74 Cb -0.07 -3.26 -0.16 0.00 0.00 0.00 0.00 23.12 19.64 2h39 s ALA 74 CO 0.20 -2.61 1.46 -2.30 0.00 0.00 0.00 175.76 172.50 2h39 n PRO 75 N -4.08 1.54 -1.76 0.00 -0.02 -1.26 -4.44 135.00 124.99 2h39 n PRO 75 Ca 0.08 0.56 -0.41 0.00 -2.02 0.00 0.00 63.50 61.71 2h39 n PRO 75 Cb 0.54 -2.25 0.01 0.00 -0.02 0.00 0.00 33.50 31.78 2h39 n PRO 75 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2h39 n GLU 76 N 3.05 2.37 -0.13 -0.52 2.13 -1.26 -1.44 120.64 124.84 2h39 n GLU 76 Ca 0.18 0.84 -0.25 0.00 0.66 0.00 0.00 57.16 58.59 2h39 n GLU 76 Cb 0.23 -2.60 -0.10 0.00 0.27 0.00 0.00 31.44 29.23 2h39 n GLU 76 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2h39 n LEU 77 N 0.15 2.26 -3.83 4.31 4.77 0.31 -4.86 117.00 120.11 2h39 n LEU 77 Ca 0.04 0.16 -0.06 0.00 -0.03 0.00 0.00 56.01 56.12 2h39 n LEU 77 Cb 0.40 -0.81 0.01 0.00 -2.33 0.00 0.00 43.42 40.69 2h39 n LEU 77 CO 0.61 0.68 0.67 0.72 -1.33 0.00 0.00 177.39 178.74 2h39 s PHE 78 N -2.49 0.03 0.22 -1.77 -0.12 -1.05 -5.03 117.98 107.77 2h39 s PHE 78 Ca -0.36 -0.52 -0.00 0.00 -0.05 0.00 0.00 56.93 56.00 2h39 s PHE 78 Cb 0.12 0.74 -0.04 0.00 -0.63 0.00 0.00 43.02 43.21 2h39 s PHE 78 CO 0.50 -1.17 0.12 -0.98 -0.05 0.00 0.00 175.22 173.64 2h39 s ARG 79 N -2.58 1.26 -0.04 1.99 1.70 -1.26 -1.41 118.95 118.61 2h39 s ARG 79 Ca 0.17 -1.67 -0.00 0.00 -0.47 0.00 0.00 55.73 53.76 2h39 s ARG 79 Cb -0.04 0.09 0.03 0.00 -0.57 0.00 0.00 34.95 34.46 2h39 s ARG 79 CO 0.07 -0.36 0.00 0.08 -1.08 0.00 0.00 175.30 174.02 2h39 s VAL 80 N -4.02 0.23 0.75 4.99 1.01 0.49 -3.46 120.40 120.38 2h39 s VAL 80 Ca 0.38 0.12 -0.14 0.00 0.00 0.00 0.00 61.98 62.34 2h39 s VAL 80 Cb 0.07 -0.36 0.05 0.00 0.00 0.00 0.00 36.38 36.14 2h39 s VAL 80 CO 0.12 0.19 1.16 -2.84 0.00 0.00 0.00 175.10 173.73 2h39 s PRO 81 N 1.40 2.14 -0.28 2.72 0.02 -1.26 0.85 135.00 140.59 2h39 s PRO 81 Ca -0.04 1.58 -0.28 0.00 0.02 0.00 0.00 61.00 62.27 2h39 s PRO 81 Cb -0.13 -1.85 -0.03 0.00 0.02 0.00 0.00 34.50 32.50 2h39 s PRO 81 CO -0.03 -1.80 2.00 0.34 -0.33 0.00 0.00 177.00 177.19 2h39 s ASP 82 N -2.40 5.68 -0.17 2.53 -1.08 -1.22 -1.96 116.67 118.05 2h39 s ASP 82 Ca 0.70 1.58 0.00 0.00 -0.52 0.00 0.00 52.55 54.31 2h39 s ASP 82 Cb -0.25 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 38.69 2h39 s ASP 82 CO 0.47 -1.83 0.00 1.41 0.52 0.00 0.00 175.17 175.74 2h39 n HIS 83 N 10.97 0.00 -2.97 -5.34 8.25 -1.26 -5.03 115.22 119.84 2h39 n HIS 83 Ca 0.26 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.32 2h39 n HIS 83 Cb 0.46 -0.62 -0.04 0.00 1.12 0.00 0.00 29.99 30.90 2h39 n HIS 83 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2h39 s ASP 84 N -2.48 6.95 0.44 0.41 3.68 -0.83 -4.96 116.67 119.88 2h39 s ASP 84 Ca 0.00 1.15 0.15 0.00 2.13 0.00 0.00 52.55 55.99 2h39 s ASP 84 Cb 0.00 -2.43 1.00 0.00 -1.45 0.00 0.00 42.92 40.04 2h39 s ASP 84 CO 0.00 -0.27 1.97 1.55 0.13 0.00 0.00 175.17 178.55 2h39 h PRO 85 N 7.12 0.00 -3.12 4.34 0.13 -1.96 -3.07 132.00 135.45 2h39 h PRO 85 Ca -0.34 0.00 -0.74 0.00 -0.87 0.00 0.00 66.00 64.05 2h39 h PRO 85 Cb 1.16 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.18 2h39 h PRO 85 CO 0.79 0.21 2.46 -1.71 -0.23 0.00 0.00 178.00 179.52 2h39 n ASN 86 N -4.22 6.59 -4.79 1.44 2.85 -1.26 -4.98 115.26 110.89 2h39 n ASN 86 Ca -0.02 -3.05 -0.33 0.00 -0.11 0.00 0.00 54.58 51.06 2h39 n ASN 86 Cb 0.27 -1.45 -0.00 0.00 1.24 0.00 0.00 39.78 39.84 2h39 n ASN 86 CO 0.00 0.00 0.00 -1.66 -2.11 0.00 0.00 177.26 173.49 2h39 s TRP 87 N 0.14 2.91 -0.12 1.20 1.48 -1.16 -4.60 118.94 118.79 2h39 s TRP 87 Ca 0.49 1.54 0.06 0.00 -1.06 0.00 0.00 56.10 57.13 2h39 s TRP 87 Cb 0.14 -3.08 -0.12 0.00 -1.16 0.00 0.00 33.47 29.26 2h39 s TRP 87 CO -0.05 -1.14 -0.03 1.17 -4.06 0.00 0.00 176.95 172.84 2h39 n LYS 88 N -1.63 1.49 -3.66 3.25 4.81 0.25 -4.58 118.16 118.08 2h39 n LYS 88 Ca 0.09 0.03 -0.14 0.00 -0.87 0.00 0.00 58.31 57.43 2h39 n LYS 88 Cb 0.52 -1.28 -0.07 0.00 0.02 0.00 0.00 35.03 34.23 2h39 n LYS 88 CO 0.00 0.00 0.00 -0.48 1.17 0.00 0.00 177.40 178.09 2h39 s LEU 89 N -5.20 0.34 0.03 3.14 0.05 -0.75 -3.69 118.68 112.60 2h39 s LEU 89 Ca -0.11 0.13 0.03 0.00 0.05 0.00 0.00 54.13 54.24 2h39 s LEU 89 Cb 0.04 1.75 -0.02 0.00 -2.05 0.00 0.00 46.19 45.91 2h39 s LEU 89 CO 0.40 -0.60 -0.10 -0.13 -0.55 0.00 0.00 176.35 175.36 2h39 s ARG 90 N -2.00 0.67 -0.18 1.48 0.52 -0.96 -0.38 118.95 118.10 2h39 s ARG 90 Ca -0.08 -0.66 -0.01 0.00 -0.52 0.00 0.00 55.73 54.45 2h39 s ARG 90 Cb -0.02 -0.58 -0.01 0.00 0.52 0.00 0.00 34.95 34.86 2h39 s ARG 90 CO 0.01 0.14 -0.11 0.08 0.02 0.00 0.00 175.30 175.44 2h39 s VAL 91 N -0.94 2.97 0.21 3.52 1.01 -0.50 -0.21 120.40 126.47 2h39 s VAL 91 Ca -0.03 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.32 2h39 s VAL 91 Cb -0.08 -2.30 -0.05 0.00 0.00 0.00 0.00 36.38 33.96 2h39 s VAL 91 CO 0.01 0.49 0.02 0.27 0.00 0.00 0.00 175.10 175.89 2h39 s ILE 92 N 1.01 0.77 0.49 2.22 -4.36 0.17 -0.53 121.20 120.97 2h39 s ILE 92 Ca -0.01 -2.00 -0.22 0.00 -0.26 0.00 0.00 60.65 58.16 2h39 s ILE 92 Cb -0.15 -2.32 -0.06 0.00 1.25 0.00 0.00 42.46 41.18 2h39 s ILE 92 CO -0.02 -0.31 1.21 -1.61 0.24 0.00 0.00 174.94 174.46 2h39 s GLU 93 N -3.93 3.54 0.07 0.37 2.02 -0.52 0.21 118.70 120.46 2h39 s GLU 93 Ca 0.29 1.88 -0.30 0.00 0.02 0.00 0.00 54.97 56.86 2h39 s GLU 93 Cb 0.06 -2.32 -0.05 0.00 0.10 0.00 0.00 34.13 31.92 2h39 s GLU 93 CO 0.08 -0.76 1.02 1.21 0.02 0.00 0.00 175.26 176.83 2h39 s ASN 94 N -1.30 7.36 0.17 -0.19 3.84 0.23 -4.39 114.94 120.66 2h39 s ASN 94 Ca 0.67 1.81 -0.08 0.00 0.21 0.00 0.00 52.86 55.47 2h39 s ASN 94 Cb -0.31 -2.58 0.05 0.00 -0.55 0.00 0.00 41.25 37.86 2h39 s ASN 94 CO 0.37 -0.22 1.56 0.25 -2.79 0.00 0.00 177.10 176.27 2h39 h LEU 95 N 6.15 0.94 -6.99 3.21 5.85 -1.95 -3.32 115.31 119.21 2h39 h LEU 95 Ca -0.42 -0.37 -0.68 0.00 0.84 0.00 0.00 57.88 57.25 2h39 h LEU 95 Cb 1.21 -0.26 -0.37 0.00 0.37 0.00 0.00 40.66 41.61 2h39 h LEU 95 CO 0.74 1.15 -0.20 -1.22 -0.34 0.00 0.00 178.44 178.57 2h39 n TYR 96 N -4.09 3.72 -2.67 1.25 4.02 -1.26 -5.08 117.16 113.04 2h39 n TYR 96 Ca -0.00 -4.02 -0.37 0.00 -0.01 0.00 0.00 57.90 53.50 2h39 n TYR 96 Cb 0.48 -0.93 -0.05 0.00 -0.02 0.00 0.00 39.34 38.82 2h39 n TYR 96 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 2h39 s PRO 97 N -1.78 4.42 0.24 -0.72 0.04 -1.25 -4.94 135.00 131.02 2h39 s PRO 97 Ca 0.30 1.43 0.03 0.00 0.04 0.00 0.00 61.00 62.81 2h39 s PRO 97 Cb -0.01 -2.72 0.28 0.00 0.04 0.00 0.00 34.50 32.09 2h39 s PRO 97 CO -0.09 0.11 1.59 0.00 0.04 0.00 0.00 177.00 178.65 2h39 h ALA 98 N 2.94 0.89 -3.75 8.56 0.00 -1.94 -3.44 119.26 122.52 2h39 h ALA 98 Ca -0.47 -0.50 -0.31 0.00 0.00 0.00 0.00 54.91 53.63 2h39 h ALA 98 Cb 1.20 -0.09 -0.27 0.00 0.00 0.00 0.00 17.79 18.63 2h39 h ALA 98 CO 0.64 0.68 -0.75 -0.51 0.00 0.00 0.00 179.25 179.31 2h39 s LEU 99 N -8.11 2.06 -0.29 0.00 1.43 -1.26 -5.03 118.68 107.48 2h39 s LEU 99 Ca -0.05 -0.18 -0.18 0.00 -1.03 0.00 0.00 54.13 52.69 2h39 s LEU 99 Cb 0.12 -0.23 -0.02 0.00 0.03 0.00 0.00 46.19 46.09 2h39 s LEU 99 CO 0.80 0.01 0.54 -0.55 0.23 0.00 0.00 176.35 177.37 2h39 s SER 100 N -0.40 6.42 0.00 2.29 0.15 0.75 -4.27 113.70 118.63 2h39 s SER 100 Ca -0.00 0.38 0.12 0.00 0.70 0.00 0.00 55.95 57.14 2h39 s SER 100 Cb -0.03 -2.29 0.60 0.00 -1.71 0.00 0.00 66.02 62.59 2h39 s SER 100 CO -0.00 -0.37 1.25 -2.11 1.20 0.00 0.00 173.24 173.21 2h39 n ARG 101 N 5.66 0.20 -0.33 5.44 1.85 -0.51 -2.70 116.66 126.26 2h39 n ARG 101 Ca -0.04 0.15 0.11 0.00 -1.00 0.00 0.00 57.85 57.08 2h39 n ARG 101 Cb 0.49 -1.50 0.30 0.00 -1.05 0.00 0.00 32.46 30.70 2h39 n ARG 101 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2h39 n ASN 102 N -1.24 3.65 -0.89 2.89 3.02 -1.26 -4.32 115.26 117.10 2h39 n ASN 102 Ca 0.06 -2.00 0.03 0.00 -0.03 0.00 0.00 54.58 52.65 2h39 n ASN 102 Cb 0.08 -0.43 0.22 0.00 -0.61 0.00 0.00 39.78 39.04 2h39 n ASN 102 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2h39 n LEU 103 N 1.51 3.75 -0.19 3.41 4.77 -1.10 -4.79 117.00 124.36 2h39 n LEU 103 Ca 0.23 -3.37 -0.09 0.00 -0.03 0.00 0.00 56.01 52.75 2h39 n LEU 103 Cb 0.58 -0.57 0.01 0.00 -2.33 0.00 0.00 43.42 41.12 2h39 n LEU 103 CO 0.16 0.94 0.84 -0.08 -1.33 0.00 0.00 177.39 177.91 2h39 h GLU 104 N 1.21 0.93 -0.18 3.23 4.81 -1.81 -2.33 114.58 120.45 2h39 h GLU 104 Ca 0.09 -0.28 -0.13 0.00 -0.13 0.00 0.00 59.36 58.92 2h39 h GLU 104 Cb 1.46 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.74 2h39 h GLU 104 CO 0.26 0.93 -0.43 1.79 -0.73 0.00 0.00 179.01 180.82 2h39 h THR 105 N 0.82 1.31 0.00 0.32 1.35 -1.95 0.11 112.91 114.87 2h39 h THR 105 Ca 0.16 -1.60 0.00 0.00 -0.55 0.00 0.00 66.41 64.41 2h39 h THR 105 Cb 0.48 1.65 0.00 0.00 -1.73 0.00 0.00 68.15 68.55 2h39 h THR 105 CO 0.02 0.49 0.00 0.00 -0.25 0.00 0.00 175.52 175.78 2h39 n GLN 106 N -4.01 0.05 0.00 4.72 6.02 -1.16 -5.22 117.38 117.78 2h39 n GLN 106 Ca -0.02 0.24 0.00 0.00 -0.01 0.00 0.00 57.00 57.21 2h39 n GLN 106 Cb 0.52 -1.59 0.00 0.00 1.02 0.00 0.00 30.24 30.19 2h39 n GLN 106 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2h39 n SER 107 N -1.68 0.00 0.01 1.08 7.64 0.38 -4.72 113.62 116.34 2h39 n SER 107 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.92 2h39 n SER 107 Cb 0.22 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.42 2h39 n SER 107 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 2h39 n ARG 116 N 0.00 0.00 -4.17 1.43 1.85 -1.26 -4.70 116.66 109.81 2h39 n ARG 116 Ca 0.00 0.04 -0.16 0.00 -1.00 0.00 0.00 57.85 56.73 2h39 n ARG 116 Cb 0.00 -0.39 -0.15 0.00 -1.05 0.00 0.00 32.46 30.87 2h39 n ARG 116 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 2h39 s THR 117 N -0.64 0.44 0.13 8.89 2.01 -1.26 -5.16 115.64 120.05 2h39 s THR 117 Ca 0.00 -0.22 0.06 0.00 0.31 0.00 0.00 61.69 61.84 2h39 s THR 117 Cb 0.00 -0.38 -0.04 0.00 0.01 0.00 0.00 72.50 72.09 2h39 s THR 117 CO 0.00 0.13 -0.15 0.27 -0.69 0.00 0.00 174.62 174.18 2h39 s ILE 118 N -0.03 1.43 0.58 1.82 -4.36 -1.26 -5.15 121.20 114.24 2h39 s ILE 118 Ca 0.01 -1.75 -0.20 0.00 -0.26 0.00 0.00 60.65 58.44 2h39 s ILE 118 Cb -0.03 -1.59 -0.04 0.00 1.25 0.00 0.00 42.46 42.05 2h39 s ILE 118 CO -0.00 -0.39 1.30 0.68 0.24 0.00 0.00 174.94 176.76 2h39 s VAL 119 N -2.11 2.22 -0.98 8.37 -7.23 -1.26 -4.85 120.40 114.55 2h39 s VAL 119 Ca 0.10 0.15 -0.08 0.00 -1.81 0.00 0.00 61.98 60.34 2h39 s VAL 119 Cb -0.05 -3.07 -0.16 0.00 0.56 0.00 0.00 36.38 33.66 2h39 s VAL 119 CO 0.04 -0.02 3.18 0.61 -0.31 0.00 0.00 175.10 178.59 2h39 n GLY 120 N 0.73 3.72 3.78 2.32 0.00 -1.26 -4.91 105.19 109.56 2h39 n GLY 120 Ca 0.13 -1.36 -0.39 0.00 0.00 0.00 0.00 46.02 44.39 2h39 n GLY 120 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2h39 s PHE 121 N 1.77 3.90 -1.69 1.61 5.36 -1.26 -0.18 117.98 127.49 2h39 s PHE 121 Ca 0.67 1.61 0.00 0.00 -0.96 0.00 0.00 56.93 58.26 2h39 s PHE 121 Cb 0.23 -2.76 0.00 0.00 -0.34 0.00 0.00 43.02 40.15 2h39 s PHE 121 CO -0.04 0.51 0.00 0.41 -1.46 0.00 0.00 175.22 174.65 2h39 n GLY 122 N 1.63 -1.55 3.25 13.12 0.00 -1.12 -4.33 105.19 116.19 2h39 n GLY 122 Ca -0.06 -1.05 -0.32 0.00 0.00 0.00 0.00 46.02 44.59 2h39 n GLY 122 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2h39 s PHE 123 N -2.39 2.60 -0.25 1.61 0.08 -1.05 -1.42 117.98 117.16 2h39 s PHE 123 Ca 0.00 -0.97 0.01 0.00 0.12 0.00 0.00 56.93 56.10 2h39 s PHE 123 Cb 0.00 -1.73 0.07 0.00 -0.57 0.00 0.00 43.02 40.78 2h39 s PHE 123 CO 0.00 -0.38 -0.05 -1.58 -0.10 0.00 0.00 175.22 173.12 2h39 s HIS 124 N 0.33 2.69 0.10 0.36 2.46 -1.26 -0.89 115.29 119.08 2h39 s HIS 124 Ca -0.17 -2.00 0.10 0.00 0.47 0.00 0.00 55.06 53.46 2h39 s HIS 124 Cb -0.18 -1.79 -0.04 0.00 -0.13 0.00 0.00 32.58 30.45 2h39 s HIS 124 CO 0.08 -0.82 -0.26 -0.51 -2.47 0.00 0.00 174.74 170.76 2h39 s ASP 125 N 1.29 3.21 -0.06 9.88 1.01 -0.60 -0.60 116.67 130.79 2h39 s ASP 125 Ca -0.04 -0.69 0.01 0.00 0.71 0.00 0.00 52.55 52.54 2h39 s ASP 125 Cb -0.19 -0.24 -0.03 0.00 1.01 0.00 0.00 42.92 43.47 2h39 s ASP 125 CO -0.07 0.20 -0.06 -0.69 0.21 0.00 0.00 175.17 174.76 2h39 s VAL 126 N -0.97 3.75 -0.33 -1.27 1.01 0.13 -1.04 120.40 121.68 2h39 s VAL 126 Ca 0.13 -0.48 -0.03 0.00 0.00 0.00 0.00 61.98 61.60 2h39 s VAL 126 Cb -0.10 -2.54 0.06 0.00 0.00 0.00 0.00 36.38 33.80 2h39 s VAL 126 CO 0.05 0.59 0.06 -0.69 0.00 0.00 0.00 175.10 175.10 2h39 s VAL 127 N -0.83 3.19 -0.18 2.92 1.01 0.12 -0.66 120.40 125.98 2h39 s VAL 127 Ca 0.13 -1.47 -0.25 0.00 0.00 0.00 0.00 61.98 60.38 2h39 s VAL 127 Cb -0.11 -2.91 -0.01 0.00 0.00 0.00 0.00 36.38 33.35 2h39 s VAL 127 CO 0.02 -0.24 0.83 -0.63 0.00 0.00 0.00 175.10 175.08 2h39 s ILE 128 N 1.26 4.88 -1.66 2.22 1.01 0.70 -0.95 121.20 128.66 2h39 s ILE 128 Ca -0.02 1.62 0.23 0.00 0.00 0.00 0.00 60.65 62.48 2h39 s ILE 128 Cb -0.20 -4.13 -0.03 0.00 0.01 0.00 0.00 42.46 38.10 2h39 s ILE 128 CO -0.01 0.02 1.12 -0.62 0.00 0.00 0.00 174.94 175.44 2h39 n GLU 129 N 5.29 0.77 -3.67 2.79 1.02 -0.54 -2.25 120.64 124.05 2h39 n GLU 129 Ca 0.04 -0.61 -0.14 0.00 -0.02 0.00 0.00 57.16 56.43 2h39 n GLU 129 Cb 0.49 -1.49 -0.08 0.00 -0.02 0.00 0.00 31.44 30.34 2h39 n GLU 129 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2h39 s SER 130 N -2.65 -0.52 0.49 1.62 0.15 -1.24 -4.75 113.70 106.79 2h39 s SER 130 Ca 0.16 0.86 0.26 0.00 0.70 0.00 0.00 55.95 57.94 2h39 s SER 130 Cb 0.18 0.88 1.23 0.00 -1.71 0.00 0.00 66.02 66.60 2h39 s SER 130 CO 0.65 -0.30 1.97 -0.65 1.20 0.00 0.00 173.24 176.11 2h39 h PRO 131 N 4.65 0.00 -6.08 5.44 0.11 -1.81 -3.46 132.00 130.86 2h39 h PRO 131 Ca -0.28 0.00 -0.66 0.00 0.11 0.00 0.00 66.00 65.17 2h39 h PRO 131 Cb 1.17 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.15 2h39 h PRO 131 CO 0.24 0.16 -0.62 0.08 -0.21 0.00 0.00 178.00 177.66 2h39 s VAL 132 N -3.94 4.37 0.14 3.15 1.01 -1.26 -2.15 120.40 121.72 2h39 s VAL 132 Ca -0.01 -0.48 -0.09 0.00 0.00 0.00 0.00 61.98 61.39 2h39 s VAL 132 Cb 0.12 -2.95 -0.10 0.00 0.00 0.00 0.00 36.38 33.44 2h39 s VAL 132 CO 0.60 0.40 1.40 -0.74 0.00 0.00 0.00 175.10 176.76 2h39 h HIS 133 N 4.38 0.97 0.00 5.22 2.76 -1.97 -3.34 115.15 123.18 2h39 h HIS 133 Ca -0.49 -0.38 0.00 0.00 -2.20 0.00 0.00 60.37 57.30 2h39 h HIS 133 Cb 1.18 -0.17 0.00 0.00 1.55 0.00 0.00 27.41 29.97 2h39 h HIS 133 CO 0.63 1.19 -0.34 0.66 -1.30 0.00 0.00 177.93 178.76 2h39 h SER 134 N 0.56 0.00 -3.41 3.26 4.64 -1.97 -3.41 113.55 113.22 2h39 h SER 134 Ca -0.01 -0.05 -0.52 0.00 -0.47 0.00 0.00 61.79 60.73 2h39 h SER 134 Cb 1.23 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.36 2h39 h SER 134 CO 0.13 0.03 0.64 -0.63 -0.87 0.00 0.00 176.83 176.13 2h39 s ILE 135 N -3.20 3.24 0.09 0.95 1.01 -1.26 -5.05 121.20 116.99 2h39 s ILE 135 Ca 0.06 1.03 0.06 0.00 0.00 0.00 0.00 60.65 61.80 2h39 s ILE 135 Cb 0.10 -3.66 -0.04 0.00 0.01 0.00 0.00 42.46 38.87 2h39 s ILE 135 CO 0.68 0.16 -0.06 -1.10 0.00 0.00 0.00 174.94 174.62 2h39 s GLN 136 N -0.17 2.32 0.18 2.79 -0.21 -1.26 -4.36 119.66 118.95 2h39 s GLN 136 Ca 0.56 -0.93 -0.09 0.00 0.02 0.00 0.00 55.36 54.92 2h39 s GLN 136 Cb -0.36 -2.41 0.24 0.00 1.00 0.00 0.00 33.01 31.48 2h39 s GLN 136 CO 0.38 0.53 1.08 -0.11 -2.12 0.00 0.00 175.29 175.05 2h39 n LEU 137 N 0.68 -0.36 0.01 2.90 7.94 -1.26 -0.17 117.00 126.74 2h39 n LEU 137 Ca -0.12 1.20 0.04 0.00 -1.11 0.00 0.00 56.01 56.01 2h39 n LEU 137 Cb 0.52 -0.32 0.16 0.00 0.53 0.00 0.00 43.42 44.31 2h39 n LEU 137 CO 0.36 -1.11 0.62 -1.54 -1.11 0.00 0.00 177.39 174.60 2h39 n SER 138 N -5.07 0.02 0.10 1.96 3.41 -1.26 -1.76 113.62 111.02 2h39 n SER 138 Ca 0.09 0.51 0.12 0.00 -0.26 0.00 0.00 58.87 59.32 2h39 n SER 138 Cb 0.31 -0.51 0.01 0.00 -0.26 0.00 0.00 64.21 63.76 2h39 n SER 138 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2h39 h ASP 139 N 0.00 0.00 -4.16 4.04 3.32 -0.97 -3.47 116.42 115.18 2h39 h ASP 139 Ca 0.00 -0.02 -0.51 0.00 0.02 0.00 0.00 57.03 56.52 2h39 h ASP 139 Cb 0.12 0.00 0.10 0.00 0.22 0.00 0.00 39.33 39.76 2h39 h ASP 139 CO 0.00 0.01 0.40 -0.63 -1.72 0.00 0.00 179.24 177.30 2h39 s ILE 140 N -3.35 3.16 0.60 0.35 1.01 -0.72 -5.01 121.20 117.24 2h39 s ILE 140 Ca 0.00 0.60 -0.14 0.00 0.00 0.00 0.00 60.65 61.11 2h39 s ILE 140 Cb 0.10 -3.15 -0.04 0.00 0.01 0.00 0.00 42.46 39.38 2h39 s ILE 140 CO 0.78 -0.27 1.03 1.51 0.00 0.00 0.00 174.94 177.99 2h39 s ASP 141 N -2.28 5.99 0.36 3.58 -4.77 -1.26 -4.81 116.67 113.49 2h39 s ASP 141 Ca 0.69 1.65 0.16 0.00 -3.30 0.00 0.00 52.55 51.75 2h39 s ASP 141 Cb -0.22 -2.51 1.08 0.00 -1.09 0.00 0.00 42.92 40.18 2h39 s ASP 141 CO 0.37 -1.02 1.70 -0.65 0.70 0.00 0.00 175.17 176.27 2h39 h PRO 142 N 0.20 0.37 -0.40 2.11 0.11 -1.90 -1.51 132.00 130.99 2h39 h PRO 142 Ca -0.46 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 2h39 h PRO 142 Cb 1.20 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 2h39 h PRO 142 CO 0.59 0.25 0.17 0.28 -0.21 0.00 0.00 178.00 179.08 2h39 h VAL 143 N 0.39 1.18 -0.29 3.15 2.07 -1.91 -1.39 116.25 119.44 2h39 h VAL 143 Ca 0.69 -0.55 -0.16 0.00 0.82 0.00 0.00 66.70 67.50 2h39 h VAL 143 Cb 1.62 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 32.19 2h39 h VAL 143 CO -0.47 0.20 -0.44 1.23 0.02 0.00 0.00 177.57 178.11 2h39 h GLY 144 N 0.50 0.82 1.01 2.17 0.00 -1.67 -1.64 103.07 104.25 2h39 h GLY 144 Ca 0.13 -0.86 -0.00 0.00 0.00 0.00 0.00 47.33 46.60 2h39 h GLY 144 CO -0.01 0.78 0.44 -2.22 0.00 0.00 0.00 176.54 175.52 2h39 h ILE 145 N 0.60 1.21 -0.87 2.60 2.04 -1.24 -2.27 117.51 119.58 2h39 h ILE 145 Ca 0.04 -0.46 0.06 0.00 1.00 0.00 0.00 64.86 65.50 2h39 h ILE 145 Cb 1.00 0.20 -0.05 0.00 -0.74 0.00 0.00 36.82 37.23 2h39 h ILE 145 CO 0.10 0.22 0.57 1.23 0.00 0.00 0.00 178.15 180.26 2h39 h GLY 146 N 0.99 1.25 0.98 5.37 0.00 -0.70 -1.11 103.07 109.86 2h39 h GLY 146 Ca 0.26 -0.40 -0.00 0.00 0.00 0.00 0.00 47.33 47.18 2h39 h GLY 146 CO -0.05 0.31 0.25 -0.55 0.00 0.00 0.00 176.54 176.50 2h39 h ASP 147 N 1.01 0.53 -0.42 0.19 3.45 -0.74 0.25 116.42 120.69 2h39 h ASP 147 Ca 0.37 -0.07 0.07 0.00 0.43 0.00 0.00 57.03 57.83 2h39 h ASP 147 Cb 0.16 -0.13 -0.06 0.00 -0.56 0.00 0.00 39.33 38.73 2h39 h ASP 147 CO -0.13 0.44 0.05 0.40 -1.57 0.00 0.00 179.24 178.43 2h39 h ILE 148 N 0.57 0.74 -0.79 0.35 2.04 -1.07 0.18 117.51 119.51 2h39 h ILE 148 Ca 0.15 -0.06 -0.00 0.00 1.00 0.00 0.00 64.86 65.96 2h39 h ILE 148 Cb 0.02 0.56 -0.04 0.00 -0.74 0.00 0.00 36.82 36.62 2h39 h ILE 148 CO -0.03 0.03 0.49 -0.07 0.00 0.00 0.00 178.15 178.57 2h39 h LEU 149 N 0.16 0.95 -0.89 1.44 3.38 -0.70 -1.34 115.31 118.31 2h39 h LEU 149 Ca 0.20 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 2h39 h LEU 149 Cb 0.27 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 2h39 h LEU 149 CO -0.30 0.73 0.22 0.40 0.09 0.00 0.00 178.44 179.58 2h39 h ILE 150 N 1.09 1.25 -0.47 1.22 1.08 -0.08 -2.27 117.51 119.32 2h39 h ILE 150 Ca 0.29 -0.84 0.08 0.00 -0.39 0.00 0.00 64.86 63.99 2h39 h ILE 150 Cb -0.05 0.49 -0.06 0.00 -3.07 0.00 0.00 36.82 34.13 2h39 h ILE 150 CO -0.05 0.33 0.10 0.00 -0.69 0.00 0.00 178.15 177.84 2h39 h ALA 151 N 1.24 0.53 -0.30 1.87 0.00 -0.23 0.53 119.26 122.90 2h39 h ALA 151 Ca 0.22 0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.27 2h39 h ALA 151 Cb 0.27 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 2h39 h ALA 151 CO -0.01 -0.30 0.05 1.88 0.00 0.00 0.00 179.25 180.87 2h39 h TYR 152 N 0.24 0.08 -0.70 0.00 0.05 -0.94 0.39 116.97 116.10 2h39 h TYR 152 Ca 0.23 0.02 0.01 0.00 0.05 0.00 0.00 58.73 59.05 2h39 h TYR 152 Cb 0.30 0.01 -0.04 0.00 1.01 0.00 0.00 36.73 38.01 2h39 h TYR 152 CO -0.21 0.01 0.45 -0.22 -1.05 0.00 0.00 178.16 177.14 2h39 h LYS 153 N 0.16 0.89 -0.18 4.88 3.64 -0.98 0.15 116.57 125.14 2h39 h LYS 153 Ca 0.14 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 2h39 h LYS 153 Cb 0.15 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 2h39 h LYS 153 CO -0.19 0.59 0.07 -0.22 -2.27 0.00 0.00 179.45 177.43 2h39 h LYS 154 N 0.92 0.26 -0.55 1.90 3.64 -0.19 -0.82 116.57 121.73 2h39 h LYS 154 Ca 0.26 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 2h39 h LYS 154 Cb -0.08 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.67 2h39 h LYS 154 CO -0.07 0.33 0.35 -0.09 -2.27 0.00 0.00 179.45 177.70 2h39 h ARG 155 N 0.13 0.74 -0.26 1.90 9.65 -0.81 -0.94 114.38 124.79 2h39 h ARG 155 Ca 0.06 -0.06 0.06 0.00 -1.10 0.00 0.00 59.98 58.94 2h39 h ARG 155 Cb 0.17 -0.16 -0.07 0.00 -1.39 0.00 0.00 29.97 28.52 2h39 h ARG 155 CO -0.01 0.52 -0.20 0.82 2.80 0.00 0.00 179.97 183.90 2h39 h ILE 156 N 0.75 0.45 -0.00 1.20 2.04 -0.52 -1.38 117.51 120.05 2h39 h ILE 156 Ca 0.20 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 66.00 2h39 h ILE 156 Cb -0.04 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 36.48 2h39 h ILE 156 CO -0.04 0.00 -0.29 0.78 0.00 0.00 0.00 178.15 178.60 2h39 h ASN 157 N -0.19 0.01 0.50 1.72 -0.26 -0.83 0.14 115.58 116.66 2h39 h ASN 157 Ca 0.14 -0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.86 2h39 h ASN 157 Cb 0.41 -0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.67 2h39 h ASN 157 CO -0.38 0.30 -0.26 1.56 -1.06 0.00 0.00 177.43 177.59 2h39 h GLN 158 N 0.01 -0.68 -0.98 0.81 4.20 -0.76 -3.27 115.11 114.44 2h39 h GLN 158 Ca -0.00 0.05 0.06 0.00 0.06 0.00 0.00 58.65 58.81 2h39 h GLN 158 Cb 0.52 0.15 -0.06 0.00 0.30 0.00 0.00 27.48 28.39 2h39 h GLN 158 CO 0.04 -0.45 0.63 0.82 -0.67 0.00 0.00 178.83 179.20 2h39 h ILE 159 N -0.70 1.11 0.00 2.54 2.04 -0.77 -2.57 117.51 119.16 2h39 h ILE 159 Ca -0.06 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.39 2h39 h ILE 159 Cb 0.55 -0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.47 2h39 h ILE 159 CO 0.09 0.21 0.00 0.00 0.00 0.00 0.00 178.15 178.46 2h39 n ALA 160 N -2.36 1.15 1.17 1.87 0.00 -0.01 -0.74 120.51 121.59 2h39 n ALA 160 Ca 0.14 -0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.70 2h39 n ALA 160 Cb 0.15 -1.03 0.62 0.00 0.00 0.00 0.00 19.45 19.19 2h39 n ALA 160 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2h39 n GLN 161 N -1.45 0.36 -3.49 0.00 6.02 -0.97 -4.61 117.38 113.25 2h39 n GLN 161 Ca 0.01 0.05 -0.42 0.00 -0.01 0.00 0.00 57.00 56.63 2h39 n GLN 161 Cb 0.02 -1.50 -0.10 0.00 1.02 0.00 0.00 30.24 29.68 2h39 n GLN 161 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 2h39 s HIS 162 N -2.55 3.24 0.55 1.08 3.76 0.08 -4.93 115.29 116.52 2h39 s HIS 162 Ca 0.24 -0.48 0.27 0.00 -0.15 0.00 0.00 55.06 54.94 2h39 s HIS 162 Cb 0.16 -2.54 1.69 0.00 1.11 0.00 0.00 32.58 33.00 2h39 s HIS 162 CO 0.37 -0.51 2.21 0.22 -0.85 0.00 0.00 174.74 176.18 2h39 h ASP 163 N 8.57 0.00 0.77 1.40 3.58 -1.86 -2.12 116.42 126.76 2h39 h ASP 163 Ca -0.28 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.17 2h39 h ASP 163 Cb 1.13 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.18 2h39 h ASP 163 CO 0.69 0.03 0.00 0.77 -2.88 0.00 0.00 179.24 177.85 2h39 h SER 164 N 0.00 0.00 -3.06 2.28 4.64 -1.95 -3.44 113.55 112.03 2h39 h SER 164 Ca -0.00 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.70 2h39 h SER 164 Cb 0.06 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.06 2h39 h SER 164 CO 0.00 0.00 -0.40 -0.63 -0.87 0.00 0.00 176.83 174.94 2h39 s ILE 165 N -3.71 5.36 -0.04 0.95 -1.09 -0.80 -4.40 121.20 117.47 2h39 s ILE 165 Ca 0.00 0.39 0.10 0.00 -2.23 0.00 0.00 60.65 58.92 2h39 s ILE 165 Cb 0.10 -3.53 -0.16 0.00 -1.58 0.00 0.00 42.46 37.29 2h39 s ILE 165 CO 0.49 0.49 0.18 0.59 -1.23 0.00 0.00 174.94 175.46 2h39 n ASN 166 N 2.87 2.50 -3.59 3.58 3.02 0.56 -4.79 115.26 119.40 2h39 n ASN 166 Ca -0.16 0.00 -0.16 0.00 -0.03 0.00 0.00 54.58 54.23 2h39 n ASN 166 Cb 0.53 1.28 -0.07 0.00 -0.61 0.00 0.00 39.78 40.91 2h39 n ASN 166 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2h39 s TYR 167 N -2.61 -0.62 -0.13 3.10 6.14 -1.14 -1.04 117.35 121.06 2h39 s TYR 167 Ca -0.04 1.23 -0.00 0.00 0.64 0.00 0.00 57.07 58.89 2h39 s TYR 167 Cb 0.06 0.32 0.02 0.00 0.42 0.00 0.00 41.96 42.78 2h39 s TYR 167 CO 0.44 -0.49 -0.10 0.42 0.64 0.00 0.00 175.55 176.46 2h39 s ILE 168 N -0.70 1.21 -0.43 3.14 1.01 -1.26 -0.39 121.20 123.78 2h39 s ILE 168 Ca -0.08 -0.42 -0.16 0.00 0.00 0.00 0.00 60.65 60.00 2h39 s ILE 168 Cb -0.02 -1.20 0.03 0.00 0.01 0.00 0.00 42.46 41.29 2h39 s ILE 168 CO 0.06 0.39 0.37 -1.58 0.00 0.00 0.00 174.94 174.17 2h39 s GLN 169 N 1.63 3.01 -0.11 2.79 2.00 0.19 -4.88 119.66 124.29 2h39 s GLN 169 Ca 0.05 -1.02 -0.20 0.00 -2.00 0.00 0.00 55.36 52.18 2h39 s GLN 169 Cb -0.13 -4.01 -0.04 0.00 0.80 0.00 0.00 33.01 29.63 2h39 s GLN 169 CO -0.09 -0.85 0.57 0.08 -0.50 0.00 0.00 175.29 174.50 2h39 s VAL 170 N 1.82 5.12 0.09 1.34 1.01 -1.26 -0.96 120.40 127.56 2h39 s VAL 170 Ca 0.07 1.15 -0.14 0.00 0.00 0.00 0.00 61.98 63.07 2h39 s VAL 170 Cb -0.20 -3.91 0.02 0.00 0.00 0.00 0.00 36.38 32.30 2h39 s VAL 170 CO 0.10 0.28 0.33 0.72 0.00 0.00 0.00 175.10 176.52 2h39 s PHE 171 N 0.82 -0.09 0.00 5.22 -0.12 -0.82 -0.49 117.98 122.50 2h39 s PHE 171 Ca 0.30 -0.20 0.03 0.00 -0.05 0.00 0.00 56.93 57.02 2h39 s PHE 171 Cb -0.16 0.14 -0.01 0.00 -0.63 0.00 0.00 43.02 42.36 2h39 s PHE 171 CO 0.13 -0.61 -0.10 0.21 -0.05 0.00 0.00 175.22 174.81 2h39 s LYS 172 N -3.48 0.74 -0.17 1.99 2.20 0.06 -0.30 119.74 120.78 2h39 s LYS 172 Ca 0.01 -0.41 -0.00 0.00 -0.36 0.00 0.00 55.97 55.21 2h39 s LYS 172 Cb 0.02 -0.70 -0.00 0.00 -1.51 0.00 0.00 37.83 35.64 2h39 s LYS 172 CO -0.09 0.19 -0.14 -0.80 -0.36 0.00 0.00 175.35 174.14 2h39 s ASN 173 N -0.44 3.70 -0.16 1.43 0.01 -1.26 -1.89 114.94 116.32 2h39 s ASN 173 Ca 0.02 -0.48 0.01 0.00 -0.71 0.00 0.00 52.86 51.70 2h39 s ASN 173 Cb -0.05 -1.58 0.02 0.00 0.41 0.00 0.00 41.25 40.05 2h39 s ASN 173 CO -0.00 0.06 -0.18 -1.58 -1.51 0.00 0.00 177.10 173.89 2h39 s GLN 174 N 0.98 2.72 0.00 -0.60 0.74 -0.32 -4.73 119.66 118.44 2h39 s GLN 174 Ca -0.02 -0.72 0.00 0.00 0.05 0.00 0.00 55.36 54.67 2h39 s GLN 174 Cb -0.15 -2.37 0.00 0.00 1.10 0.00 0.00 33.01 31.60 2h39 s GLN 174 CO -0.02 -0.20 0.00 0.41 -0.55 0.00 0.00 175.29 174.93 2h39 n GLY 175 N 4.61 1.84 0.37 2.59 0.00 -1.26 -0.98 105.19 112.36 2h39 n GLY 175 Ca -0.19 -1.60 0.04 0.00 0.00 0.00 0.00 46.02 44.27 2h39 n GLY 175 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2h39 h ALA 176 N 0.00 1.43 0.00 4.61 0.00 -1.94 -1.91 119.26 121.45 2h39 h ALA 176 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2h39 h ALA 176 Cb 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.50 2h39 h ALA 176 CO 0.00 0.40 0.00 0.66 0.00 0.00 0.00 179.25 180.31 2h39 h SER 177 N 1.14 0.00 -0.15 0.00 4.64 -1.90 -1.94 113.55 115.35 2h39 h SER 177 Ca 0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.77 2h39 h SER 177 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 2h39 h SER 177 CO -0.19 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.77 2h39 n ALA 178 N -1.82 2.48 -0.10 5.18 0.00 -0.77 -4.91 120.51 120.57 2h39 n ALA 178 Ca 0.05 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.22 2h39 n ALA 178 Cb 0.40 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.85 2h39 n ALA 178 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2h39 n GLY 179 N 0.76 0.62 3.67 0.00 0.00 -0.73 -4.72 105.19 104.79 2h39 n GLY 179 Ca 0.06 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.63 2h39 n GLY 179 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2h39 n ALA 180 N -1.48 0.97 -0.07 4.61 0.00 -0.90 -4.93 120.51 118.70 2h39 n ALA 180 Ca 0.00 0.40 -0.08 0.00 0.00 0.00 0.00 53.44 53.76 2h39 n ALA 180 Cb 0.00 -2.24 -0.10 0.00 0.00 0.00 0.00 19.45 17.11 2h39 n ALA 180 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2h39 n SER 181 N 1.70 1.88 -4.67 0.00 3.41 -1.26 -4.51 113.62 110.17 2h39 n SER 181 Ca 0.10 -0.03 -0.37 0.00 -0.26 0.00 0.00 58.87 58.31 2h39 n SER 181 Cb 0.32 0.54 -0.09 0.00 -0.26 0.00 0.00 64.21 64.73 2h39 n SER 181 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 2h39 s MET 182 N -2.34 4.11 0.05 4.33 -1.94 -1.26 -4.95 119.30 117.31 2h39 s MET 182 Ca -0.11 -0.09 0.23 0.00 -1.71 0.00 0.00 55.69 54.00 2h39 s MET 182 Cb 0.05 -3.53 0.93 0.00 2.01 0.00 0.00 34.83 34.28 2h39 s MET 182 CO 0.52 0.04 1.71 -1.13 -0.01 0.00 0.00 175.02 176.15 2h39 n SER 183 N 4.32 0.17 -4.82 3.03 3.41 -1.26 -4.79 113.62 113.68 2h39 n SER 183 Ca -0.13 0.53 -0.33 0.00 -0.26 0.00 0.00 58.87 58.69 2h39 n SER 183 Cb 0.52 -0.57 -0.01 0.00 -0.26 0.00 0.00 64.21 63.89 2h39 n SER 183 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 2h39 s HIS 184 N -3.05 3.17 -0.18 7.33 5.65 -1.26 -4.98 115.29 121.97 2h39 s HIS 184 Ca 0.10 1.50 -0.27 0.00 0.25 0.00 0.00 55.06 56.64 2h39 s HIS 184 Cb 0.14 -2.93 -0.01 0.00 -1.18 0.00 0.00 32.58 28.60 2h39 s HIS 184 CO 0.42 -0.79 0.94 0.45 -0.65 0.00 0.00 174.74 175.11 2h39 s SER 185 N -2.81 7.05 0.10 9.88 0.15 -1.26 -4.96 113.70 121.85 2h39 s SER 185 Ca 0.62 1.30 -0.25 0.00 0.70 0.00 0.00 55.95 58.32 2h39 s SER 185 Cb -0.14 -2.50 0.08 0.00 -1.71 0.00 0.00 66.02 61.75 2h39 s SER 185 CO 0.33 -0.51 0.71 -0.83 1.20 0.00 0.00 173.24 174.14 2h39 s GLY 186 N 1.18 -0.56 0.32 9.45 0.00 -1.26 -1.47 107.32 114.99 2h39 s GLY 186 Ca 0.42 0.68 0.05 0.00 0.00 0.00 0.00 44.72 45.88 2h39 s GLY 186 CO 0.11 0.22 0.30 -1.35 0.00 0.00 0.00 173.10 172.38 2h39 s SER 187 N -2.65 1.46 0.08 1.64 1.04 -0.12 -4.42 113.70 110.72 2h39 s SER 187 Ca 0.03 -1.69 0.01 0.00 0.48 0.00 0.00 55.95 54.77 2h39 s SER 187 Cb -0.01 0.56 -0.04 0.00 0.10 0.00 0.00 66.02 66.63 2h39 s SER 187 CO -0.11 -1.08 -0.05 -1.10 0.98 0.00 0.00 173.24 171.87 2h39 s GLN 188 N -3.44 0.74 -0.07 4.02 -0.21 0.59 0.13 119.66 121.43 2h39 s GLN 188 Ca 0.39 -1.27 0.01 0.00 0.02 0.00 0.00 55.36 54.51 2h39 s GLN 188 Cb 0.02 -0.06 0.02 0.00 1.00 0.00 0.00 33.01 34.00 2h39 s GLN 188 CO 0.26 -0.05 -0.07 -1.64 -2.12 0.00 0.00 175.29 171.66 2h39 s MET 189 N -3.76 1.23 -0.22 2.91 -1.94 -0.20 -1.95 119.30 115.36 2h39 s MET 189 Ca 0.09 -0.21 0.02 0.00 -1.71 0.00 0.00 55.69 53.87 2h39 s MET 189 Cb 0.06 -1.18 0.04 0.00 2.01 0.00 0.00 34.83 35.76 2h39 s MET 189 CO -0.06 -0.10 -0.15 -1.64 -0.01 0.00 0.00 175.02 173.06 2h39 s MET 190 N 1.08 2.60 -0.28 2.03 -1.94 -0.14 -1.56 119.30 121.09 2h39 s MET 190 Ca -0.08 -1.10 -0.11 0.00 -1.71 0.00 0.00 55.69 52.69 2h39 s MET 190 Cb -0.14 -2.75 -0.05 0.00 2.01 0.00 0.00 34.83 33.89 2h39 s MET 190 CO -0.01 -0.40 0.18 0.00 -0.01 0.00 0.00 175.02 174.78 2h39 s ALA 191 N 1.19 3.52 0.06 3.03 0.00 -0.07 0.54 121.76 130.04 2h39 s ALA 191 Ca -0.02 -1.08 0.04 0.00 0.00 0.00 0.00 51.96 50.89 2h39 s ALA 191 Cb -0.17 -2.45 -0.04 0.00 0.00 0.00 0.00 23.12 20.46 2h39 s ALA 191 CO -0.09 -0.53 -0.01 -0.51 0.00 0.00 0.00 175.76 174.63 2h39 s LEU 192 N 1.71 3.43 0.23 0.00 1.43 0.47 -2.53 118.68 123.43 2h39 s LEU 192 Ca 0.07 -0.14 0.26 0.00 -1.03 0.00 0.00 54.13 53.29 2h39 s LEU 192 Cb -0.16 -2.10 0.85 0.00 0.03 0.00 0.00 46.19 44.81 2h39 s LEU 192 CO 0.10 0.21 1.76 -0.81 0.23 0.00 0.00 176.35 177.85 2h39 n PRO 193 N 0.89 0.25 -4.29 1.29 -0.04 -1.26 -0.33 135.00 131.51 2h39 n PRO 193 Ca -0.12 0.27 -0.20 0.00 -0.04 0.00 0.00 63.50 63.40 2h39 n PRO 193 Cb 0.52 -1.83 -0.13 0.00 -0.04 0.00 0.00 33.50 32.02 2h39 n PRO 193 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2h39 s VAL 194 N -3.16 1.24 0.02 0.52 1.01 -1.26 -4.07 120.40 114.70 2h39 s VAL 194 Ca 0.09 -1.22 -0.30 0.00 0.00 0.00 0.00 61.98 60.55 2h39 s VAL 194 Cb 0.11 -1.14 -0.07 0.00 0.00 0.00 0.00 36.38 35.28 2h39 s VAL 194 CO 0.55 -0.08 1.72 -0.69 0.00 0.00 0.00 175.10 176.60 2h39 s VAL 195 N -1.06 3.22 0.67 2.92 1.01 -1.26 -4.58 120.40 121.32 2h39 s VAL 195 Ca 0.01 0.46 -0.09 0.00 0.00 0.00 0.00 61.98 62.36 2h39 s VAL 195 Cb -0.09 -3.30 0.03 0.00 0.00 0.00 0.00 36.38 33.02 2h39 s VAL 195 CO 0.02 -0.02 1.02 -2.16 0.00 0.00 0.00 175.10 173.96 2h39 s PRO 196 N 3.53 2.70 0.32 2.72 0.04 -1.26 -4.85 135.00 138.20 2h39 s PRO 196 Ca 0.77 0.15 0.10 0.00 0.04 0.00 0.00 61.00 62.06 2h39 s PRO 196 Cb -0.38 -2.13 0.89 0.00 0.04 0.00 0.00 34.50 32.92 2h39 s PRO 196 CO 0.33 -1.00 1.73 -1.35 0.04 0.00 0.00 177.00 176.75 2h39 h PRO 197 N -0.51 0.56 -0.02 0.56 0.11 -2.00 -1.94 132.00 128.75 2h39 h PRO 197 Ca -0.45 -0.03 -0.17 0.00 0.11 0.00 0.00 66.00 65.46 2h39 h PRO 197 Cb 1.27 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 2h39 h PRO 197 CO 0.62 0.37 -0.74 1.79 -0.21 0.00 0.00 178.00 179.84 2h39 h THR 198 N 0.58 1.46 -0.47 -1.15 1.35 -1.98 -0.70 112.91 112.00 2h39 h THR 198 Ca 0.65 -2.35 -0.07 0.00 -0.55 0.00 0.00 66.41 64.09 2h39 h THR 198 Cb 1.23 2.26 -0.02 0.00 -1.73 0.00 0.00 68.15 69.90 2h39 h THR 198 CO -0.47 0.68 0.02 0.58 -0.25 0.00 0.00 175.52 176.08 2h39 h VAL 199 N 0.11 1.26 -0.48 6.82 2.07 -1.74 -0.99 116.25 123.30 2h39 h VAL 199 Ca -0.02 -1.02 -0.03 0.00 0.82 0.00 0.00 66.70 66.45 2h39 h VAL 199 Cb 1.30 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 32.04 2h39 h VAL 199 CO 0.11 0.35 0.18 0.28 0.02 0.00 0.00 177.57 178.51 2h39 h SER 200 N 0.68 0.68 -0.40 0.57 0.02 -1.32 -0.49 113.55 113.29 2h39 h SER 200 Ca 0.14 -0.18 -0.05 0.00 -0.84 0.00 0.00 61.79 60.85 2h39 h SER 200 Cb 0.47 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.81 2h39 h SER 200 CO 0.02 0.68 0.10 0.28 -1.14 0.00 0.00 176.83 176.77 2h39 h SER 201 N 0.64 0.67 -0.13 3.07 0.02 -1.03 -2.28 113.55 114.52 2h39 h SER 201 Ca 0.16 -0.12 -0.15 0.00 -0.84 0.00 0.00 61.79 60.85 2h39 h SER 201 Cb 0.23 -0.18 0.01 0.00 0.14 0.00 0.00 62.40 62.60 2h39 h SER 201 CO -0.01 0.68 -0.49 -0.09 -1.14 0.00 0.00 176.83 175.79 2h39 h ARG 202 N 0.70 0.56 -0.39 3.45 2.43 -0.75 -1.34 114.38 119.04 2h39 h ARG 202 Ca 0.15 -0.43 0.03 0.00 -0.81 0.00 0.00 59.98 58.93 2h39 h ARG 202 Cb 0.29 0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.89 2h39 h ARG 202 CO 0.00 1.05 0.19 -0.07 -1.51 0.00 0.00 179.97 179.63 2h39 h LEU 203 N 0.18 0.28 -0.68 3.80 3.38 -1.02 0.16 115.31 121.40 2h39 h LEU 203 Ca -0.02 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.00 2h39 h LEU 203 Cb 1.12 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.79 2h39 h LEU 203 CO 0.10 0.20 0.42 0.44 0.09 0.00 0.00 178.44 179.70 2h39 h ASP 204 N 0.39 0.68 0.27 -0.43 3.45 -1.34 -0.77 116.42 118.67 2h39 h ASP 204 Ca 0.17 0.00 -0.34 0.00 0.43 0.00 0.00 57.03 57.29 2h39 h ASP 204 Cb 0.08 -0.14 0.03 0.00 -0.56 0.00 0.00 39.33 38.74 2h39 h ASP 204 CO -0.12 0.47 -1.55 1.23 -1.57 0.00 0.00 179.24 177.70 2h39 h GLY 205 N 0.82 0.56 1.59 2.75 0.00 -0.75 -2.06 103.07 105.98 2h39 h GLY 205 Ca 0.28 -1.43 -0.11 0.00 0.00 0.00 0.00 47.33 46.06 2h39 h GLY 205 CO -0.11 1.25 -0.36 -0.91 0.00 0.00 0.00 176.54 176.41 2h39 h THR 206 N 0.13 1.29 0.05 4.70 1.35 -0.58 -2.13 112.91 117.72 2h39 h THR 206 Ca -0.28 -1.46 -0.00 0.00 -0.55 0.00 0.00 66.41 64.12 2h39 h THR 206 Cb 2.15 1.52 0.00 0.00 -1.73 0.00 0.00 68.15 70.08 2h39 h THR 206 CO 0.25 0.46 -0.03 0.50 -0.25 0.00 0.00 175.52 176.45 2h39 h LYS 207 N 0.39 -0.07 -0.65 4.72 3.64 -1.13 -0.54 116.57 122.93 2h39 h LYS 207 Ca 0.04 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.48 2h39 h LYS 207 Cb 0.81 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.59 2h39 h LYS 207 CO 0.07 0.05 0.36 -0.44 -2.27 0.00 0.00 179.45 177.21 2h39 h ASP 208 N -0.18 0.53 -0.65 4.20 3.45 -1.30 0.82 116.42 123.29 2h39 h ASP 208 Ca -0.01 0.03 -0.07 0.00 0.43 0.00 0.00 57.03 57.41 2h39 h ASP 208 Cb 0.15 -0.07 -0.03 0.00 -0.56 0.00 0.00 39.33 38.82 2h39 h ASP 208 CO 0.01 0.34 0.14 0.22 -1.57 0.00 0.00 179.24 178.38 2h39 h TYR 209 N 0.66 1.12 -0.67 4.55 5.03 -1.34 -0.12 116.97 126.19 2h39 h TYR 209 Ca 0.29 -0.14 -0.04 0.00 2.58 0.00 0.00 58.73 61.41 2h39 h TYR 209 Cb 0.18 -0.31 -0.03 0.00 1.55 0.00 0.00 36.73 38.11 2h39 h TYR 209 CO -0.08 0.93 0.25 0.35 -1.32 0.00 0.00 178.16 178.29 2h39 h PHE 210 N 0.98 1.03 -0.30 -3.82 3.04 -0.43 -0.29 116.94 117.15 2h39 h PHE 210 Ca 0.20 -0.08 -0.05 0.00 3.98 0.00 0.00 57.97 62.02 2h39 h PHE 210 Cb 0.40 -0.31 -0.02 0.00 2.56 0.00 0.00 35.95 38.58 2h39 h PHE 210 CO 0.03 0.81 -0.02 0.93 -2.02 0.00 0.00 178.31 178.04 2h39 h GLU 211 N 0.95 0.47 0.02 1.11 5.08 -0.49 0.43 114.58 122.15 2h39 h GLU 211 Ca 0.22 -0.10 -0.24 0.00 -1.00 0.00 0.00 59.36 58.24 2h39 h GLU 211 Cb 0.23 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 29.42 2h39 h GLU 211 CO -0.02 0.52 -1.01 0.93 -1.00 0.00 0.00 179.01 178.43 2h39 h GLU 212 N 0.45 0.49 0.00 2.33 5.08 -0.42 -3.40 114.58 119.11 2h39 h GLU 212 Ca 0.10 -0.55 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 2h39 h GLU 212 Cb 0.33 0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2h39 h GLU 212 CO 0.01 1.18 -0.57 0.25 -1.00 0.00 0.00 179.01 178.89 2h39 n THR 213 N -3.76 0.00 -0.95 1.13 -2.24 -0.18 -4.99 114.28 103.29 2h39 n THR 213 Ca -0.08 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 2h39 n THR 213 Cb 0.87 0.71 0.00 0.00 -2.10 0.00 0.00 70.33 69.80 2h39 n THR 213 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2h39 n GLY 214 N 1.84 0.31 3.65 3.38 0.00 0.15 -5.02 105.19 109.51 2h39 n GLY 214 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 2h39 n GLY 214 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2h39 s LYS 215 N -0.86 2.61 -0.24 1.61 1.02 -1.26 -5.02 119.74 117.61 2h39 s LYS 215 Ca 0.00 -0.73 -0.24 0.00 0.02 0.00 0.00 55.97 55.02 2h39 s LYS 215 Cb 0.00 -2.56 -0.01 0.00 -0.52 0.00 0.00 37.83 34.74 2h39 s LYS 215 CO 0.00 0.59 0.81 0.00 -0.92 0.00 0.00 175.35 175.83 2h39 h LEU 218 N 0.00 0.00 -2.34 0.00 3.38 -1.92 -2.85 115.31 111.58 2h39 h LEU 218 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2h39 h LEU 218 Cb 0.51 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 2h39 h LEU 218 CO 0.03 0.14 -0.03 0.00 0.09 0.00 0.00 178.44 178.66 2h39 n GLU 220 N -3.35 3.79 -0.29 0.00 1.02 -1.08 -4.71 120.64 116.02 2h39 n GLU 220 Ca -0.02 -2.70 0.09 0.00 -0.02 0.00 0.00 57.16 54.51 2h39 n GLU 220 Cb 0.16 -2.13 0.25 0.00 -0.02 0.00 0.00 31.44 29.70 2h39 n GLU 220 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2h39 h ALA 221 N 3.06 1.31 0.00 0.62 0.00 -1.48 0.90 119.26 123.67 2h39 h ALA 221 Ca 0.14 0.12 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 2h39 h ALA 221 Cb 2.01 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.86 2h39 h ALA 221 CO 0.57 -0.21 -0.29 0.87 0.00 0.00 0.00 179.25 180.20 2h39 h LYS 222 N 0.51 0.00 0.00 0.00 1.57 -1.86 -0.26 116.57 116.53 2h39 h LYS 222 Ca 0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.27 2h39 h LYS 222 Cb 0.81 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.12 2h39 h LYS 222 CO -0.43 0.29 -1.27 -1.13 -0.57 0.00 0.00 179.45 176.33 2h39 n SER 223 N -3.61 0.84 -0.03 0.86 3.41 -0.86 -4.57 113.62 109.66 2h39 n SER 223 Ca -0.01 -0.51 -0.03 0.00 -0.26 0.00 0.00 58.87 58.06 2h39 n SER 223 Cb 0.42 1.37 -0.13 0.00 -0.26 0.00 0.00 64.21 65.60 2h39 n SER 223 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2h39 n LYS 224 N -1.73 0.65 -4.10 4.33 5.02 0.26 -5.03 118.16 117.56 2h39 n LYS 224 Ca 0.00 0.09 -0.25 0.00 -2.02 0.00 0.00 58.31 56.13 2h39 n LYS 224 Cb 0.36 -1.66 -0.06 0.00 -0.02 0.00 0.00 35.03 33.66 2h39 n LYS 224 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2h39 n HIS 225 N -2.77 0.70 -3.48 2.13 8.25 -0.13 -4.50 115.22 115.42 2h39 n HIS 225 Ca -0.18 -2.06 -0.43 0.00 -0.26 0.00 0.00 57.72 54.80 2h39 n HIS 225 Cb 0.95 -0.19 -0.08 0.00 1.12 0.00 0.00 29.99 31.78 2h39 n HIS 225 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2h39 s PHE 226 N -2.58 3.30 0.11 4.41 0.08 -1.00 -4.76 117.98 117.54 2h39 s PHE 226 Ca 0.05 -1.29 -0.31 0.00 0.12 0.00 0.00 56.93 55.50 2h39 s PHE 226 Cb 0.00 -3.17 -0.09 0.00 -0.57 0.00 0.00 43.02 39.19 2h39 s PHE 226 CO 0.04 -0.85 1.68 0.08 -0.10 0.00 0.00 175.22 176.06 2h39 s VAL 227 N 1.53 2.78 -0.15 -0.44 1.01 -1.26 -0.83 120.40 123.03 2h39 s VAL 227 Ca 0.04 0.35 -0.14 0.00 0.00 0.00 0.00 61.98 62.23 2h39 s VAL 227 Cb -0.24 -3.23 -0.05 0.00 0.00 0.00 0.00 36.38 32.86 2h39 s VAL 227 CO 0.04 0.01 -0.27 -0.38 0.00 0.00 0.00 175.10 174.50 2h39 n ILE 228 N 4.52 1.30 -4.21 2.22 5.41 -0.19 -4.91 119.36 123.49 2h39 n ILE 228 Ca 0.16 0.20 -0.14 0.00 1.00 0.00 0.00 62.75 63.97 2h39 n ILE 228 Cb 0.39 -2.26 -0.09 0.00 -0.71 0.00 0.00 39.64 36.97 2h39 n ILE 228 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 2h39 s ASP 229 N -5.62 0.49 -0.11 4.38 1.01 -1.17 -4.68 116.67 110.97 2h39 s ASP 229 Ca -0.22 -1.46 -0.19 0.00 0.71 0.00 0.00 52.55 51.39 2h39 s ASP 229 Cb 0.03 0.43 0.04 0.00 1.01 0.00 0.00 42.92 44.43 2h39 s ASP 229 CO 0.33 -0.90 0.46 -0.70 0.21 0.00 0.00 175.17 174.57 2h39 s GLU 230 N -3.98 0.67 0.00 8.23 2.12 -1.26 -0.06 118.70 124.43 2h39 s GLU 230 Ca 0.39 0.35 0.00 0.00 0.36 0.00 0.00 54.97 56.07 2h39 s GLU 230 Cb 0.06 0.32 0.00 0.00 0.26 0.00 0.00 34.13 34.76 2h39 s GLU 230 CO 0.16 -0.14 0.00 -1.13 -0.54 0.00 0.00 175.26 173.60 2h39 n SER 231 N 2.06 1.84 -0.28 -1.70 3.41 0.16 -4.98 113.62 114.13 2h39 n SER 231 Ca -0.17 -0.58 -0.04 0.00 -0.26 0.00 0.00 58.87 57.83 2h39 n SER 231 Cb 0.57 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.59 2h39 n SER 231 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2h39 h SER 232 N 0.00 0.87 0.00 4.04 0.02 -2.02 -3.34 113.55 113.13 2h39 h SER 232 Ca 0.00 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 2h39 h SER 232 Cb 0.00 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.33 2h39 h SER 232 CO 0.00 0.62 0.00 1.41 -1.14 0.00 0.00 176.83 177.72 2h39 n HIS 233 N -4.56 0.00 -4.00 3.45 8.25 -1.26 -5.01 115.22 112.09 2h39 n HIS 233 Ca 0.08 -0.25 -0.08 0.00 -0.26 0.00 0.00 57.72 57.21 2h39 n HIS 233 Cb 0.03 -0.02 -0.10 0.00 1.12 0.00 0.00 29.99 31.02 2h39 n HIS 233 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2h39 s PHE 234 N -0.50 0.34 -0.02 4.41 0.40 -1.25 -1.35 117.98 120.01 2h39 s PHE 234 Ca 0.00 -0.76 0.02 0.00 -0.60 0.00 0.00 56.93 55.59 2h39 s PHE 234 Cb 0.00 -0.25 0.01 0.00 0.51 0.00 0.00 43.02 43.29 2h39 s PHE 234 CO 0.00 -0.36 -0.06 0.54 0.70 0.00 0.00 175.22 176.04 2h39 s VAL 235 N -3.13 0.52 -0.09 -0.44 0.11 -0.67 0.41 120.40 117.12 2h39 s VAL 235 Ca -0.00 -0.20 -0.02 0.00 -2.93 0.00 0.00 61.98 58.83 2h39 s VAL 235 Cb 0.02 -0.49 -0.03 0.00 -1.53 0.00 0.00 36.38 34.35 2h39 s VAL 235 CO -0.07 0.18 -0.00 -0.94 -3.33 0.00 0.00 175.10 170.94 2h39 s SER 236 N 0.36 5.22 0.07 3.54 1.04 0.92 -1.30 113.70 123.54 2h39 s SER 236 Ca -0.04 0.14 0.01 0.00 0.48 0.00 0.00 55.95 56.53 2h39 s SER 236 Cb -0.08 -1.47 -0.04 0.00 0.10 0.00 0.00 66.02 64.53 2h39 s SER 236 CO -0.00 0.38 -0.05 0.68 0.98 0.00 0.00 173.24 175.22 2h39 s VAL 237 N -0.88 0.51 -0.39 5.02 -7.23 0.20 -1.02 120.40 116.62 2h39 s VAL 237 Ca 0.13 -1.77 -0.20 0.00 -1.81 0.00 0.00 61.98 58.34 2h39 s VAL 237 Cb -0.11 -1.47 0.01 0.00 0.56 0.00 0.00 36.38 35.37 2h39 s VAL 237 CO 0.02 -0.85 0.59 0.00 -0.31 0.00 0.00 175.10 174.55 2h39 s ALA 238 N -3.40 3.42 0.45 1.32 0.00 -0.01 -0.84 121.76 122.70 2h39 s ALA 238 Ca 0.07 -1.06 -0.24 0.00 0.00 0.00 0.00 51.96 50.73 2h39 s ALA 238 Cb 0.04 -3.16 -0.07 0.00 0.00 0.00 0.00 23.12 19.93 2h39 s ALA 238 CO -0.06 -1.46 1.23 -2.14 0.00 0.00 0.00 175.76 173.33 2h39 s PRO 239 N 2.61 3.76 0.19 0.00 0.02 -1.26 -2.36 135.00 137.96 2h39 s PRO 239 Ca 0.21 1.95 -0.11 0.00 0.02 0.00 0.00 61.00 63.06 2h39 s PRO 239 Cb -0.15 -2.51 0.22 0.00 0.02 0.00 0.00 34.50 32.08 2h39 s PRO 239 CO 0.16 -0.60 1.75 0.35 -0.33 0.00 0.00 177.00 178.33 2h39 h PHE 240 N 2.20 0.37 -1.62 6.54 3.57 -1.95 -2.62 116.94 123.44 2h39 h PHE 240 Ca -0.50 0.03 -0.64 0.00 3.53 0.00 0.00 57.97 60.40 2h39 h PHE 240 Cb 1.25 -0.08 -0.38 0.00 2.79 0.00 0.00 35.95 39.53 2h39 h PHE 240 CO 0.52 0.12 -0.25 0.00 -2.23 0.00 0.00 178.31 176.47 2h39 n ALA 241 N -2.43 5.46 -1.77 2.41 0.00 -1.26 -4.75 120.51 118.16 2h39 n ALA 241 Ca 0.07 -4.25 -0.41 0.00 0.00 0.00 0.00 53.44 48.85 2h39 n ALA 241 Cb 0.22 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.75 2h39 n ALA 241 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2h39 s ALA 242 N -3.68 3.46 0.10 0.00 0.00 -0.99 -4.79 121.76 115.86 2h39 s ALA 242 Ca 0.49 1.52 -0.14 0.00 0.00 0.00 0.00 51.96 53.83 2h39 s ALA 242 Cb 0.41 -3.59 -0.11 0.00 0.00 0.00 0.00 23.12 19.83 2h39 s ALA 242 CO -0.24 -1.07 1.37 1.15 0.00 0.00 0.00 175.76 176.96 2h39 h THR 243 N 2.76 1.30 -3.84 0.00 2.02 -1.97 -3.47 112.91 109.71 2h39 h THR 243 Ca -0.51 -1.66 -0.68 0.00 0.77 0.00 0.00 66.41 64.33 2h39 h THR 243 Cb 1.25 1.75 -0.21 0.00 -1.74 0.00 0.00 68.15 69.20 2h39 h THR 243 CO 0.63 0.53 -0.83 -0.31 0.37 0.00 0.00 175.52 175.91 2h39 s TYR 244 N -4.10 2.44 0.29 3.16 2.02 -1.26 -4.53 117.35 115.37 2h39 s TYR 244 Ca -0.12 -0.31 -0.29 0.00 -0.37 0.00 0.00 57.07 55.98 2h39 s TYR 244 Cb 0.08 -1.32 -0.10 0.00 -0.40 0.00 0.00 41.96 40.23 2h39 s TYR 244 CO 0.86 0.35 1.33 -1.25 -1.57 0.00 0.00 175.55 175.26 2h39 s PRO 245 N -2.02 4.35 -0.46 -1.71 0.04 -1.26 -2.31 135.00 131.63 2h39 s PRO 245 Ca 0.16 2.20 0.00 0.00 0.04 0.00 0.00 61.00 63.40 2h39 s PRO 245 Cb -0.10 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.34 2h39 s PRO 245 CO 0.08 -0.24 0.00 1.19 0.04 0.00 0.00 177.00 178.07 2h39 n PHE 246 N 1.43 0.00 -1.75 0.56 3.01 -1.26 -4.64 117.46 114.81 2h39 n PHE 246 Ca 0.02 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.07 2h39 n PHE 246 Cb 0.42 -1.54 0.00 0.00 -0.01 0.00 0.00 39.48 38.35 2h39 n PHE 246 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 2h39 n GLU 247 N -1.38 2.40 -4.30 -1.08 2.13 -0.98 -4.55 120.64 112.89 2h39 n GLU 247 Ca -0.04 0.85 -0.19 0.00 0.66 0.00 0.00 57.16 58.43 2h39 n GLU 247 Cb 0.33 -2.56 -0.15 0.00 0.27 0.00 0.00 31.44 29.33 2h39 n GLU 247 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 2h39 s ILE 248 N -1.14 0.65 -0.06 6.31 1.01 -0.56 -4.17 121.20 123.24 2h39 s ILE 248 Ca 0.56 -0.28 -0.02 0.00 0.00 0.00 0.00 60.65 60.91 2h39 s ILE 248 Cb -0.49 -0.60 -0.04 0.00 0.01 0.00 0.00 42.46 41.34 2h39 s ILE 248 CO 0.62 0.22 0.04 0.26 0.00 0.00 0.00 174.94 176.07 2h39 s TRP 249 N 0.29 3.24 -0.23 3.97 0.51 -0.02 -0.73 118.94 125.96 2h39 s TRP 249 Ca -0.04 0.23 -0.04 0.00 -2.12 0.00 0.00 56.10 54.13 2h39 s TRP 249 Cb -0.09 -1.79 0.00 0.00 -0.81 0.00 0.00 33.47 30.79 2h39 s TRP 249 CO 0.00 0.53 -0.03 0.42 -0.51 0.00 0.00 176.95 177.35 2h39 s ILE 250 N -0.99 3.33 -0.14 2.03 1.01 0.94 -0.63 121.20 126.75 2h39 s ILE 250 Ca 0.16 -0.62 0.01 0.00 0.00 0.00 0.00 60.65 60.21 2h39 s ILE 250 Cb -0.12 -2.57 0.02 0.00 0.01 0.00 0.00 42.46 39.81 2h39 s ILE 250 CO 0.06 0.35 -0.17 -0.63 0.00 0.00 0.00 174.94 174.55 2h39 s ILE 251 N 1.45 1.69 0.33 2.92 1.01 -0.42 -0.52 121.20 127.67 2h39 s ILE 251 Ca 0.04 -0.74 -0.29 0.00 0.00 0.00 0.00 60.65 59.67 2h39 s ILE 251 Cb -0.15 -1.55 -0.12 0.00 0.01 0.00 0.00 42.46 40.65 2h39 s ILE 251 CO -0.03 0.48 1.37 -0.81 0.00 0.00 0.00 174.94 175.95 2h39 n PRO 252 N 4.42 2.28 0.13 2.79 -0.04 -1.26 -1.66 135.00 141.65 2h39 n PRO 252 Ca -0.19 0.80 0.03 0.00 -0.04 0.00 0.00 63.50 64.11 2h39 n PRO 252 Cb 0.51 -2.44 0.02 0.00 -0.04 0.00 0.00 33.50 31.55 2h39 n PRO 252 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2h39 h LYS 253 N 3.02 0.00 -6.88 0.54 1.57 -1.55 -3.44 116.57 109.82 2h39 h LYS 253 Ca -0.47 0.00 -0.47 0.00 -1.87 0.00 0.00 60.65 57.84 2h39 h LYS 253 Cb 1.27 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.56 2h39 h LYS 253 CO 0.66 0.40 0.24 -0.51 -0.57 0.00 0.00 179.45 179.67 2h39 s ASP 254 N -6.28 6.97 -0.53 0.86 1.01 -1.26 -4.95 116.67 112.49 2h39 s ASP 254 Ca 0.03 1.56 -0.28 0.00 0.71 0.00 0.00 52.55 54.57 2h39 s ASP 254 Cb 0.08 -2.48 0.01 0.00 1.01 0.00 0.00 42.92 41.54 2h39 s ASP 254 CO 0.75 -0.22 1.42 -2.28 0.21 0.00 0.00 175.17 175.04 2h39 s HIS 255 N -1.96 2.31 -0.13 4.23 5.65 -1.26 -4.93 115.29 119.20 2h39 s HIS 255 Ca 0.56 0.53 -0.02 0.00 0.25 0.00 0.00 55.06 56.38 2h39 s HIS 255 Cb -0.12 -4.37 0.04 0.00 -1.18 0.00 0.00 32.58 26.95 2h39 s HIS 255 CO 0.17 -1.97 0.01 0.45 -0.65 0.00 0.00 174.74 172.75 2h39 s SER 256 N 4.33 2.24 0.15 9.88 0.15 -1.26 -5.04 113.70 124.15 2h39 s SER 256 Ca 0.55 -0.44 -0.05 0.00 0.70 0.00 0.00 55.95 56.70 2h39 s SER 256 Cb -0.11 -0.54 -0.02 0.00 -1.71 0.00 0.00 66.02 63.63 2h39 s SER 256 CO 0.27 -0.24 1.38 0.28 1.20 0.00 0.00 173.24 176.13 2h39 h SER 257 N 8.28 0.64 -3.52 5.45 0.02 -1.90 -0.11 113.55 122.41 2h39 h SER 257 Ca -0.19 -0.43 -0.67 0.00 -0.84 0.00 0.00 61.79 59.66 2h39 h SER 257 Cb 1.12 -0.19 -0.29 0.00 0.14 0.00 0.00 62.40 63.18 2h39 h SER 257 CO 0.31 1.19 -0.82 -1.00 -1.14 0.00 0.00 176.83 175.37 2h39 s HIS 258 N -3.64 2.66 0.28 3.45 3.76 -1.26 -3.32 115.29 117.21 2h39 s HIS 258 Ca -0.07 -0.73 0.02 0.00 -0.15 0.00 0.00 55.06 54.12 2h39 s HIS 258 Cb 0.10 -1.74 0.64 0.00 1.11 0.00 0.00 32.58 32.69 2h39 s HIS 258 CO 0.86 -0.23 1.73 0.35 -0.85 0.00 0.00 174.74 176.60 2h39 h PHE 259 N 6.45 0.72 0.00 1.40 3.57 -1.89 -2.78 116.94 124.42 2h39 h PHE 259 Ca -0.27 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.27 2h39 h PHE 259 Cb 1.21 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.77 2h39 h PHE 259 CO 0.48 0.07 0.00 -2.39 -2.23 0.00 0.00 178.31 174.24 2h39 n HIS 260 N -4.95 0.00 0.82 0.41 1.44 -1.26 -1.24 115.22 110.43 2h39 n HIS 260 Ca 0.20 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 56.02 2h39 n HIS 260 Cb 0.55 -0.35 0.50 0.00 0.12 0.00 0.00 29.99 30.81 2h39 n HIS 260 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2h39 n HIS 261 N -1.35 0.00 -1.25 -1.40 8.25 -1.05 -4.87 115.22 113.56 2h39 n HIS 261 Ca 0.07 0.00 -0.46 0.00 -0.26 0.00 0.00 57.72 57.07 2h39 n HIS 261 Cb 0.16 -0.48 -0.05 0.00 1.12 0.00 0.00 29.99 30.73 2h39 n HIS 261 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 2h39 n LEU 262 N -1.48 -0.49 0.00 2.41 7.94 -0.38 -5.01 117.00 119.99 2h39 n LEU 262 Ca 0.06 0.98 -0.22 0.00 -1.11 0.00 0.00 56.01 55.72 2h39 n LEU 262 Cb 0.26 -0.80 -0.02 0.00 0.53 0.00 0.00 43.42 43.40 2h39 n LEU 262 CO 0.21 -2.06 -0.02 -0.90 -1.11 0.00 0.00 177.39 173.51 2h39 n ASP 263 N 1.48 2.60 -0.18 1.96 3.85 -1.26 -4.96 116.55 120.05 2h39 n ASP 263 Ca 0.16 -2.57 -0.06 0.00 -0.71 0.00 0.00 54.79 51.62 2h39 n ASP 263 Cb 0.14 0.06 0.11 0.00 -1.35 0.00 0.00 41.12 40.08 2h39 n ASP 263 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.20 176.63 2h39 h ASP 264 N 0.65 0.92 0.23 -1.12 3.32 -1.99 -0.02 116.42 118.42 2h39 h ASP 264 Ca -0.29 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 56.54 2h39 h ASP 264 Cb 1.00 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.31 2h39 h ASP 264 CO 0.47 0.93 -0.11 0.58 -1.72 0.00 0.00 179.24 179.38 2h39 h VAL 265 N 0.92 0.83 -0.38 -1.35 2.07 -2.01 -2.94 116.25 113.40 2h39 h VAL 265 Ca 0.19 -0.52 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 2h39 h VAL 265 Cb 0.40 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 2h39 h VAL 265 CO 0.01 0.11 0.18 0.11 0.02 0.00 0.00 177.57 178.01 2h39 h LYS 266 N -0.58 0.52 -0.60 1.57 1.57 -1.96 -1.58 116.57 115.51 2h39 h LYS 266 Ca -0.03 -0.05 0.04 0.00 -1.87 0.00 0.00 60.65 58.73 2h39 h LYS 266 Cb 0.43 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.59 2h39 h LYS 266 CO 0.05 0.41 0.35 0.00 -0.57 0.00 0.00 179.45 179.69 2h39 h ALA 267 N 1.68 0.78 -0.08 3.86 0.00 -0.90 0.53 119.26 125.13 2h39 h ALA 267 Ca 0.13 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.90 2h39 h ALA 267 Cb 0.05 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.70 2h39 h ALA 267 CO -0.02 0.05 -0.50 0.28 0.00 0.00 0.00 179.25 179.07 2h39 h VAL 268 N 0.67 1.39 -0.51 0.00 2.07 -1.30 0.88 116.25 119.45 2h39 h VAL 268 Ca 0.25 -1.86 0.08 0.00 0.82 0.00 0.00 66.70 65.98 2h39 h VAL 268 Cb 0.08 2.30 -0.06 0.00 -1.52 0.00 0.00 31.29 32.08 2h39 h VAL 268 CO -0.13 0.55 0.15 -0.78 0.02 0.00 0.00 177.57 177.38 2h39 h ASP 269 N 0.04 0.11 -0.58 0.57 3.58 -1.13 -1.61 116.42 117.40 2h39 h ASP 269 Ca -0.04 0.07 -0.06 0.00 0.42 0.00 0.00 57.03 57.43 2h39 h ASP 269 Cb 1.16 0.08 -0.02 0.00 1.72 0.00 0.00 39.33 42.26 2h39 h ASP 269 CO 0.10 0.09 0.14 0.25 -2.88 0.00 0.00 179.24 176.94 2h39 h LEU 270 N 0.31 0.88 -0.67 2.28 5.85 0.09 -2.85 115.31 121.20 2h39 h LEU 270 Ca 0.25 -0.23 0.15 0.00 0.84 0.00 0.00 57.88 58.88 2h39 h LEU 270 Cb 0.30 -0.23 -0.11 0.00 0.37 0.00 0.00 40.66 40.98 2h39 h LEU 270 CO -0.28 0.89 0.03 1.23 -0.34 0.00 0.00 178.44 179.97 2h39 h GLY 271 N 0.83 0.77 0.95 3.75 0.00 -0.11 0.13 103.07 109.39 2h39 h GLY 271 Ca 0.18 0.07 -0.12 0.00 0.00 0.00 0.00 47.33 47.46 2h39 h GLY 271 CO 0.00 -0.22 -0.29 -1.33 0.00 0.00 0.00 176.54 174.70 2h39 h GLY 272 N 0.14 0.73 1.31 4.60 0.00 -1.28 0.18 103.07 108.75 2h39 h GLY 272 Ca 0.36 -0.76 -0.08 0.00 0.00 0.00 0.00 47.33 46.85 2h39 h GLY 272 CO -0.56 0.69 -0.02 -2.00 0.00 0.00 0.00 176.54 174.64 2h39 h LEU 273 N 0.40 0.81 -0.08 3.11 5.85 -1.22 0.18 115.31 124.37 2h39 h LEU 273 Ca 0.04 -0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.53 2h39 h LEU 273 Cb 0.86 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.67 2h39 h LEU 273 CO 0.07 0.89 -0.05 0.25 -0.34 0.00 0.00 178.44 179.26 2h39 h LEU 274 N 0.78 0.18 -0.47 2.25 5.85 -0.69 -1.03 115.31 122.18 2h39 h LEU 274 Ca 0.15 -0.43 0.09 0.00 0.84 0.00 0.00 57.88 58.53 2h39 h LEU 274 Cb 0.50 -0.05 -0.08 0.00 0.37 0.00 0.00 40.66 41.39 2h39 h LEU 274 CO 0.02 0.57 -0.04 0.50 -0.34 0.00 0.00 178.44 179.16 2h39 h LYS 275 N -0.21 0.07 -0.17 1.25 3.64 -0.57 0.62 116.57 121.20 2h39 h LYS 275 Ca 0.02 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.40 2h39 h LYS 275 Cb 0.50 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.29 2h39 h LYS 275 CO 0.01 0.05 0.09 1.25 -2.27 0.00 0.00 179.45 178.58 2h39 h LEU 276 N 0.07 0.13 -0.54 5.20 5.85 -0.51 0.10 115.31 125.61 2h39 h LEU 276 Ca 0.23 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.90 2h39 h LEU 276 Cb 0.35 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 2h39 h LEU 276 CO -0.42 0.10 0.08 0.24 -0.34 0.00 0.00 178.44 178.10 2h39 h MET 277 N 0.19 0.89 -0.72 1.25 2.86 -0.87 0.32 114.93 118.85 2h39 h MET 277 Ca 0.07 -0.24 0.01 0.00 -2.06 0.00 0.00 59.70 57.47 2h39 h MET 277 Cb 0.01 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 31.53 2h39 h MET 277 CO -0.05 0.87 0.47 -0.07 1.06 0.00 0.00 176.91 179.20 2h39 h LEU 278 N 0.78 0.84 -0.61 1.22 3.38 -0.60 -1.67 115.31 118.65 2h39 h LEU 278 Ca 0.16 -0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.97 2h39 h LEU 278 Cb 0.41 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2h39 h LEU 278 CO 0.01 0.61 -0.35 1.56 0.09 0.00 0.00 178.44 180.37 2h39 h GLN 279 N 0.98 0.71 -0.58 1.13 4.20 -0.53 -1.64 115.11 119.38 2h39 h GLN 279 Ca 0.26 -0.34 -0.05 0.00 0.06 0.00 0.00 58.65 58.58 2h39 h GLN 279 Cb -0.10 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.65 2h39 h GLN 279 CO -0.06 0.95 0.17 0.87 -0.67 0.00 0.00 178.83 180.10 2h39 h LYS 280 N 0.59 0.91 -0.08 1.46 1.57 -0.76 -1.79 116.57 118.48 2h39 h LYS 280 Ca 0.06 -0.20 0.02 0.00 -1.87 0.00 0.00 60.65 58.66 2h39 h LYS 280 Cb 0.88 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.03 2h39 h LYS 280 CO 0.08 0.83 -0.07 0.82 -0.57 0.00 0.00 179.45 180.54 2h39 h ILE 281 N 0.83 0.81 -0.99 1.86 2.04 -1.25 0.06 117.51 120.86 2h39 h ILE 281 Ca 0.19 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.07 2h39 h ILE 281 Cb 0.30 0.81 -0.05 0.00 -0.74 0.00 0.00 36.82 37.13 2h39 h ILE 281 CO -0.00 0.00 0.65 0.00 0.00 0.00 0.00 178.15 178.80 2h39 h ALA 282 N 0.99 1.29 0.25 1.87 0.00 -1.06 0.38 119.26 122.98 2h39 h ALA 282 Ca 0.05 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2h39 h ALA 282 Cb 0.16 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.58 2h39 h ALA 282 CO -0.13 0.59 -0.12 -0.22 0.00 0.00 0.00 179.25 179.37 2h39 h LYS 283 N 1.29 -0.33 -0.96 0.00 3.64 -1.30 0.30 116.57 119.22 2h39 h LYS 283 Ca 0.38 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.79 2h39 h LYS 283 Cb -0.07 0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 31.77 2h39 h LYS 283 CO -0.10 0.01 0.63 0.37 -2.27 0.00 0.00 179.45 178.09 2h39 h GLN 284 N -0.94 1.26 -0.31 1.90 5.75 -0.91 -3.30 115.11 118.57 2h39 h GLN 284 Ca -0.03 -0.08 0.00 0.00 -0.15 0.00 0.00 58.65 58.39 2h39 h GLN 284 Cb 0.49 -0.28 0.00 0.00 1.07 0.00 0.00 27.48 28.76 2h39 h GLN 284 CO 0.06 0.84 0.00 1.28 -2.65 0.00 0.00 178.83 178.35 2h39 n LEU 285 N -4.39 3.24 -2.70 -2.39 4.77 0.13 -4.96 117.00 110.70 2h39 n LEU 285 Ca 0.11 -2.34 -0.12 0.00 -0.03 0.00 0.00 56.01 53.63 2h39 n LEU 285 Cb 0.02 -0.33 0.06 0.00 -2.33 0.00 0.00 43.42 40.83 2h39 n LEU 285 CO 0.37 0.71 0.07 0.59 -1.33 0.00 0.00 177.39 177.80 2h39 n ASN 286 N 0.16 -2.36 -3.89 -1.43 3.02 -0.98 -3.69 115.26 106.10 2h39 n ASN 286 Ca 0.15 -0.44 -0.33 0.00 -0.03 0.00 0.00 54.58 53.93 2h39 n ASN 286 Cb 0.58 -3.74 0.01 0.00 -0.61 0.00 0.00 39.78 36.02 2h39 n ASN 286 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2h39 n ASP 287 N -2.51 -3.08 -4.79 6.41 2.03 0.10 -4.96 116.55 109.75 2h39 n ASP 287 Ca -0.19 -1.09 -0.30 0.00 0.52 0.00 0.00 54.79 53.73 2h39 n ASP 287 Cb 0.62 -2.83 0.09 0.00 -0.72 0.00 0.00 41.12 38.27 2h39 n ASP 287 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2h39 s PRO 288 N -6.54 2.26 0.80 -0.67 0.04 -1.24 -5.03 135.00 124.62 2h39 s PRO 288 Ca 0.30 0.88 -0.11 0.00 0.04 0.00 0.00 61.00 62.11 2h39 s PRO 288 Cb -0.13 -1.92 0.08 0.00 0.04 0.00 0.00 34.50 32.57 2h39 s PRO 288 CO 0.90 -1.56 1.11 -2.14 0.04 0.00 0.00 177.00 175.35 2h39 s PRO 289 N -5.03 1.94 0.18 0.56 0.02 -1.26 -4.87 135.00 126.54 2h39 s PRO 289 Ca 0.60 1.31 -0.08 0.00 0.02 0.00 0.00 61.00 62.85 2h39 s PRO 289 Cb -0.15 -1.85 -0.01 0.00 0.02 0.00 0.00 34.50 32.50 2h39 s PRO 289 CO 0.55 -1.90 0.28 1.52 -0.33 0.00 0.00 177.00 177.12 2h39 s TYR 290 N -2.77 0.52 0.04 6.54 1.13 -0.15 -0.33 117.35 122.34 2h39 s TYR 290 Ca 0.64 -0.86 0.07 0.00 -1.41 0.00 0.00 57.07 55.50 2h39 s TYR 290 Cb -0.19 -0.11 -0.02 0.00 -1.10 0.00 0.00 41.96 40.54 2h39 s TYR 290 CO 0.55 -0.74 -0.19 -0.80 -2.51 0.00 0.00 175.55 171.86 2h39 s ASN 291 N -3.00 2.26 0.13 -0.18 -0.87 -0.25 -1.18 114.94 111.84 2h39 s ASN 291 Ca 0.21 -0.51 0.09 0.00 -1.57 0.00 0.00 52.86 51.08 2h39 s ASN 291 Cb 0.03 -0.18 -0.04 0.00 -0.02 0.00 0.00 41.25 41.05 2h39 s ASN 291 CO 0.03 0.13 -0.21 -0.72 -2.57 0.00 0.00 177.10 173.76 2h39 s TYR 292 N -0.81 1.88 -0.06 2.20 -0.85 -0.80 -0.16 117.35 118.74 2h39 s TYR 292 Ca 0.06 -0.43 -0.02 0.00 -0.52 0.00 0.00 57.07 56.15 2h39 s TYR 292 Cb -0.09 -0.98 0.04 0.00 0.38 0.00 0.00 41.96 41.31 2h39 s TYR 292 CO 0.02 0.28 0.11 -1.64 -1.52 0.00 0.00 175.55 172.80 2h39 s MET 293 N -2.31 -0.00 -0.18 -3.49 -1.94 -0.06 -0.76 119.30 110.55 2h39 s MET 293 Ca 0.11 0.42 -0.25 0.00 -1.71 0.00 0.00 55.69 54.27 2h39 s MET 293 Cb -0.08 -0.33 -0.01 0.00 2.01 0.00 0.00 34.83 36.42 2h39 s MET 293 CO 0.06 -0.27 0.82 0.42 -0.01 0.00 0.00 175.02 176.03 2h39 s ILE 294 N 1.91 4.88 -0.24 2.53 1.01 0.36 -0.43 121.20 131.22 2h39 s ILE 294 Ca 0.00 1.59 -0.13 0.00 0.00 0.00 0.00 60.65 62.11 2h39 s ILE 294 Cb -0.12 -4.12 -0.04 0.00 0.01 0.00 0.00 42.46 38.19 2h39 s ILE 294 CO -0.05 0.02 0.28 -1.00 0.00 0.00 0.00 174.94 174.19 2h39 s HIS 295 N 2.22 3.30 0.13 3.97 3.76 -0.07 -4.34 115.29 124.27 2h39 s HIS 295 Ca 0.37 0.35 0.03 0.00 -0.15 0.00 0.00 55.06 55.66 2h39 s HIS 295 Cb -0.16 -2.43 -0.01 0.00 1.11 0.00 0.00 32.58 31.09 2h39 s HIS 295 CO 0.11 -0.06 0.12 -2.37 -0.85 0.00 0.00 174.74 171.69 2h39 n THR 296 N 4.63 0.00 -3.74 1.30 5.66 -1.26 -1.37 114.28 119.50 2h39 n THR 296 Ca -0.11 -0.95 -0.31 0.00 -3.05 0.00 0.00 64.05 59.63 2h39 n THR 296 Cb 0.51 0.48 -0.04 0.00 -1.55 0.00 0.00 70.33 69.73 2h39 n THR 296 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 2h39 s SER 297 N -1.92 6.44 0.74 1.09 1.04 -1.21 -4.97 113.70 114.92 2h39 s SER 297 Ca 0.16 0.47 -0.14 0.00 0.48 0.00 0.00 55.95 56.92 2h39 s SER 297 Cb 0.01 -2.04 0.05 0.00 0.10 0.00 0.00 66.02 64.13 2h39 s SER 297 CO 0.11 0.06 1.18 -2.84 0.98 0.00 0.00 173.24 172.73 2h39 s PRO 298 N -2.76 2.11 0.51 4.02 0.02 -1.26 -4.80 135.00 132.84 2h39 s PRO 298 Ca 0.39 1.64 0.22 0.00 0.02 0.00 0.00 61.00 63.27 2h39 s PRO 298 Cb -0.12 -1.84 1.36 0.00 0.02 0.00 0.00 34.50 33.91 2h39 s PRO 298 CO 0.26 -1.83 2.10 -0.07 -0.33 0.00 0.00 177.00 177.13 2h39 h LEU 299 N -0.49 0.00 -3.69 -5.54 3.38 -1.40 -2.34 115.31 105.23 2h39 h LEU 299 Ca -0.47 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.18 2h39 h LEU 299 Cb 1.28 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.84 2h39 h LEU 299 CO 0.49 0.09 0.30 0.29 0.09 0.00 0.00 178.44 179.71 2h39 n LYS 300 N -4.07 2.43 -1.71 1.13 5.02 -1.26 -5.01 118.16 114.69 2h39 n LYS 300 Ca -0.02 -3.08 -0.43 0.00 -2.02 0.00 0.00 58.31 52.76 2h39 n LYS 300 Cb 0.18 -2.05 -0.01 0.00 -0.02 0.00 0.00 35.03 33.13 2h39 n LYS 300 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 2h39 n VAL 301 N -0.92 1.48 -2.50 -0.18 3.14 -0.88 -4.95 118.33 113.51 2h39 n VAL 301 Ca 0.45 -0.37 -0.28 0.00 -2.96 0.00 0.00 64.34 61.18 2h39 n VAL 301 Cb 1.37 -1.71 0.00 0.00 -1.06 0.00 0.00 33.84 32.44 2h39 n VAL 301 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 2h39 s THR 302 N -0.55 4.87 0.32 1.55 -4.23 -1.26 -4.97 115.64 111.38 2h39 s THR 302 Ca 0.61 0.33 0.01 0.00 -1.18 0.00 0.00 61.69 61.45 2h39 s THR 302 Cb -0.56 -3.86 0.27 0.00 1.34 0.00 0.00 72.50 69.69 2h39 s THR 302 CO 0.56 -0.90 1.97 -0.08 -0.54 0.00 0.00 174.62 175.63 2h39 h GLU 303 N 0.15 0.95 0.00 3.99 4.81 -2.02 -1.29 114.58 121.17 2h39 h GLU 303 Ca -0.46 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 2h39 h GLU 303 Cb 1.20 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 30.37 2h39 h GLU 303 CO 0.62 0.63 0.00 -1.13 -0.73 0.00 0.00 179.01 178.40 2h39 n SER 304 N -4.44 0.31 0.12 1.04 3.41 -1.26 -2.22 113.62 110.59 2h39 n SER 304 Ca 0.09 0.55 0.12 0.00 -0.26 0.00 0.00 58.87 59.37 2h39 n SER 304 Cb 0.08 -0.63 0.04 0.00 -0.26 0.00 0.00 64.21 63.44 2h39 n SER 304 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 2h39 h GLN 305 N 0.00 0.00 -0.46 4.33 4.20 -1.61 -3.40 115.11 118.17 2h39 h GLN 305 Ca 0.00 0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.78 2h39 h GLN 305 Cb 0.43 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.15 2h39 h GLN 305 CO 0.00 0.00 0.10 -0.07 -0.67 0.00 0.00 178.83 178.19 2h39 h LEU 306 N 0.00 0.02 -2.47 1.46 3.38 -1.38 -2.97 115.31 113.35 2h39 h LEU 306 Ca 0.00 0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.06 2h39 h LEU 306 Cb 0.99 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 2h39 h LEU 306 CO 0.00 0.04 0.15 -0.65 0.09 0.00 0.00 178.44 178.07 2h39 h PRO 307 N 0.24 0.00 -0.11 1.13 0.11 -1.78 -2.25 132.00 129.33 2h39 h PRO 307 Ca 0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.33 2h39 h PRO 307 Cb 0.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.39 2h39 h PRO 307 CO -0.29 0.00 0.00 2.48 -0.21 0.00 0.00 178.00 179.98 2h39 n TYR 308 N -3.29 0.22 -3.91 0.65 4.11 -1.13 -4.45 117.16 109.36 2h39 n TYR 308 Ca -0.01 -0.65 -0.35 0.00 -0.00 0.00 0.00 57.90 56.88 2h39 n TYR 308 Cb 0.23 -0.10 -0.13 0.00 -0.00 0.00 0.00 39.34 39.34 2h39 n TYR 308 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.86 177.85 2h39 s THR 309 N -1.61 3.80 -0.19 -3.48 2.01 -0.85 -4.77 115.64 110.55 2h39 s THR 309 Ca 0.17 -0.35 -0.04 0.00 0.31 0.00 0.00 61.69 61.78 2h39 s THR 309 Cb 0.13 -2.74 0.10 0.00 0.01 0.00 0.00 72.50 69.99 2h39 s THR 309 CO 0.05 0.40 0.30 -2.28 -0.69 0.00 0.00 174.62 172.41 2h39 s HIS 310 N 1.40 -0.55 0.73 4.92 5.04 -1.26 -3.49 115.29 122.07 2h39 s HIS 310 Ca 0.05 0.79 -0.12 0.00 -1.54 0.00 0.00 55.06 54.24 2h39 s HIS 310 Cb -0.15 -0.07 0.03 0.00 0.04 0.00 0.00 32.58 32.44 2h39 s HIS 310 CO 0.00 -0.55 1.09 1.67 -2.34 0.00 0.00 174.74 174.62 2h39 s TRP 311 N 2.46 2.65 0.17 3.88 1.48 -0.05 -4.92 118.94 124.60 2h39 s TRP 311 Ca 0.06 1.54 -0.22 0.00 -1.06 0.00 0.00 56.10 56.42 2h39 s TRP 311 Cb -0.14 -3.07 0.06 0.00 -1.16 0.00 0.00 33.47 29.16 2h39 s TRP 311 CO -0.12 -1.69 0.60 -0.59 -4.06 0.00 0.00 176.95 171.09 2h39 s PHE 312 N -2.73 -0.48 -0.18 1.66 -0.71 -0.47 -4.31 117.98 110.77 2h39 s PHE 312 Ca 0.63 0.23 -0.04 0.00 -1.04 0.00 0.00 56.93 56.71 2h39 s PHE 312 Cb -0.18 0.56 -0.03 0.00 -1.21 0.00 0.00 43.02 42.16 2h39 s PHE 312 CO 0.51 -0.89 -0.02 -1.17 -1.34 0.00 0.00 175.22 172.32 2h39 s LEU 313 N -2.77 3.27 -0.15 -1.99 0.20 0.32 -0.89 118.68 116.67 2h39 s LEU 313 Ca 0.02 -0.16 -0.06 0.00 0.69 0.00 0.00 54.13 54.62 2h39 s LEU 313 Cb -0.01 -1.81 -0.04 0.00 -0.43 0.00 0.00 46.19 43.90 2h39 s LEU 313 CO -0.11 0.11 0.07 -1.58 -0.29 0.00 0.00 176.35 174.55 2h39 s GLN 314 N 0.70 3.68 -0.13 1.98 0.74 0.43 -0.04 119.66 127.02 2h39 s GLN 314 Ca -0.01 -0.31 0.02 0.00 0.05 0.00 0.00 55.36 55.11 2h39 s GLN 314 Cb -0.14 -3.13 0.01 0.00 1.10 0.00 0.00 33.01 30.85 2h39 s GLN 314 CO 0.02 0.46 -0.20 0.42 -0.55 0.00 0.00 175.29 175.44 2h39 s ILE 315 N -0.16 1.91 -0.30 -2.34 1.01 0.09 -0.89 121.20 120.52 2h39 s ILE 315 Ca 0.08 -0.89 0.03 0.00 0.00 0.00 0.00 60.65 59.87 2h39 s ILE 315 Cb -0.12 -1.70 0.08 0.00 0.01 0.00 0.00 42.46 40.73 2h39 s ILE 315 CO 0.01 0.52 -0.00 -0.69 0.00 0.00 0.00 174.94 174.78 2h39 s VAL 316 N 0.87 2.02 0.35 2.92 1.01 0.77 -1.49 120.40 126.85 2h39 s VAL 316 Ca -0.07 -1.93 -0.28 0.00 0.00 0.00 0.00 61.98 59.71 2h39 s VAL 316 Cb -0.15 -2.37 -0.10 0.00 0.00 0.00 0.00 36.38 33.76 2h39 s VAL 316 CO -0.02 -0.39 1.29 -2.16 0.00 0.00 0.00 175.10 173.81 2h39 s PRO 317 N 1.09 4.27 -0.79 2.72 0.04 -1.26 -1.10 135.00 139.97 2h39 s PRO 317 Ca 0.03 2.16 -0.22 0.00 0.04 0.00 0.00 61.00 63.01 2h39 s PRO 317 Cb -0.19 -2.98 0.09 0.00 0.04 0.00 0.00 34.50 31.45 2h39 s PRO 317 CO -0.09 -0.24 1.09 -1.14 0.04 0.00 0.00 177.00 176.66 2h39 s GLN 318 N -1.90 3.32 -0.04 4.56 -0.44 0.56 -4.77 119.66 120.95 2h39 s GLN 318 Ca 0.51 -1.13 0.06 0.00 -2.50 0.00 0.00 55.36 52.29 2h39 s GLN 318 Cb -0.38 -4.57 -0.08 0.00 -1.64 0.00 0.00 33.01 26.33 2h39 s GLN 318 CO 0.50 -1.86 0.06 1.28 0.50 0.00 0.00 175.29 175.77 2h39 n LEU 319 N 7.55 0.00 -3.92 3.68 4.77 -1.26 -4.52 117.00 123.29 2h39 n LEU 319 Ca 0.09 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.98 2h39 n LEU 319 Cb 0.47 0.10 -0.07 0.00 -2.33 0.00 0.00 43.42 41.59 2h39 n LEU 319 CO 0.60 0.10 0.00 -0.94 -1.33 0.00 0.00 177.39 175.82 2h39 s SER 320 N -3.38 0.02 0.39 -1.43 1.04 -1.26 -5.17 113.70 103.91 2h39 s SER 320 Ca -0.03 -0.80 0.05 0.00 0.48 0.00 0.00 55.95 55.65 2h39 s SER 320 Cb 0.03 0.44 0.05 0.00 0.10 0.00 0.00 66.02 66.64 2h39 s SER 320 CO 0.25 -0.89 0.43 0.61 0.98 0.00 0.00 173.24 174.62 2h39 n GLY 321 N -0.21 2.37 3.89 7.32 0.00 -1.26 -5.14 105.19 112.16 2h39 n GLY 321 Ca -0.09 -2.23 -0.21 0.00 0.00 0.00 0.00 46.02 43.49 2h39 n GLY 321 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2h39 s VAL 322 N -1.67 2.48 0.00 1.61 -7.23 -1.26 -5.12 120.40 109.21 2h39 s VAL 322 Ca 0.32 -1.35 0.00 0.00 -1.81 0.00 0.00 61.98 59.15 2h39 s VAL 322 Cb -0.03 -2.83 0.00 0.00 0.56 0.00 0.00 36.38 34.08 2h39 s VAL 322 CO 0.21 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.61 2h39 n GLY 323 N -1.62 6.11 0.27 2.32 0.00 -1.26 -5.05 105.19 105.97 2h39 n GLY 323 Ca 0.04 -1.67 0.15 0.00 0.00 0.00 0.00 46.02 44.54 2h39 n GLY 323 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2h39 h GLY 324 N 0.00 0.00 0.68 -0.02 0.00 -2.01 -2.65 103.07 99.07 2h39 h GLY 324 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 2h39 h GLY 324 CO 0.00 0.00 -0.03 -2.75 0.00 0.00 0.00 176.54 173.76 2h39 h PHE 325 N 0.00 0.17 -0.22 5.60 3.57 -1.96 0.05 116.94 124.15 2h39 h PHE 325 Ca -0.00 -0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.39 2h39 h PHE 325 Cb 0.42 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 2h39 h PHE 325 CO 0.00 0.50 -0.12 0.93 -2.23 0.00 0.00 178.31 177.39 2h39 h GLU 326 N -0.21 0.47 -0.61 1.11 3.07 -1.66 0.06 114.58 116.81 2h39 h GLU 326 Ca 0.02 -0.21 0.02 0.00 -0.50 0.00 0.00 59.36 58.69 2h39 h GLU 326 Cb 0.45 -0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 28.31 2h39 h GLU 326 CO 0.01 0.75 0.38 0.82 -1.40 0.00 0.00 179.01 179.58 2h39 h ILE 327 N 0.17 1.10 -0.24 3.13 2.04 -1.54 0.14 117.51 122.31 2h39 h ILE 327 Ca 0.05 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 2h39 h ILE 327 Cb 0.62 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 2h39 h ILE 327 CO 0.03 0.14 0.11 1.23 0.00 0.00 0.00 178.15 179.66 2h39 h GLY 328 N 0.77 0.38 0.00 5.37 0.00 -0.68 -3.38 103.07 105.52 2h39 h GLY 328 Ca 0.24 -0.20 -0.29 0.00 0.00 0.00 0.00 47.33 47.07 2h39 h GLY 328 CO -0.08 0.19 -2.11 -1.30 0.00 0.00 0.00 176.54 173.24 2h39 n THR 329 N -4.81 1.11 -1.09 4.70 -2.24 -0.02 -4.99 114.28 106.95 2h39 n THR 329 Ca -0.03 -0.64 -0.03 0.00 -2.27 0.00 0.00 64.05 61.08 2h39 n THR 329 Cb 0.11 -0.67 -0.01 0.00 -2.10 0.00 0.00 70.33 67.66 2h39 n THR 329 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2h39 n GLY 330 N 2.09 0.62 3.56 3.38 0.00 0.48 -5.03 105.19 110.29 2h39 n GLY 330 Ca -0.28 -0.66 -0.34 0.00 0.00 0.00 0.00 46.02 44.74 2h39 n GLY 330 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2h39 s TYR 332 N 0.03 3.25 -0.15 0.00 2.02 -1.26 -4.10 117.35 117.13 2h39 s TYR 332 Ca 0.01 -0.14 0.02 0.00 -0.37 0.00 0.00 57.07 56.59 2h39 s TYR 332 Cb -0.13 -1.79 0.02 0.00 -0.40 0.00 0.00 41.96 39.65 2h39 s TYR 332 CO 0.02 0.20 -0.19 0.42 -1.57 0.00 0.00 175.55 174.43 2h39 s ILE 333 N -2.10 1.88 -0.23 2.71 1.01 -1.26 -1.91 121.20 121.31 2h39 s ILE 333 Ca 0.40 -0.85 0.02 0.00 0.00 0.00 0.00 60.65 60.21 2h39 s ILE 333 Cb -0.09 -1.70 0.04 0.00 0.01 0.00 0.00 42.46 40.73 2h39 s ILE 333 CO 0.30 0.51 -0.13 0.21 0.00 0.00 0.00 174.94 175.83 2h39 s ASN 334 N 1.09 4.00 0.00 3.58 3.84 0.72 -4.88 114.94 123.29 2h39 s ASN 334 Ca -0.02 -1.10 0.30 0.00 0.21 0.00 0.00 52.86 52.25 2h39 s ASN 334 Cb -0.14 -1.54 1.62 0.00 -0.55 0.00 0.00 41.25 40.64 2h39 s ASN 334 CO -0.06 -0.12 2.09 -0.81 -2.79 0.00 0.00 177.10 175.40 2h39 n PRO 335 N 4.52 0.60 -3.86 0.43 -0.04 -1.26 -1.28 135.00 134.11 2h39 n PRO 335 Ca -0.17 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.02 2h39 n PRO 335 Cb 0.45 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.25 2h39 n PRO 335 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2h39 s VAL 336 N -2.38 0.99 0.33 0.52 1.01 -1.26 -3.90 120.40 115.71 2h39 s VAL 336 Ca 0.34 -0.59 -0.29 0.00 0.00 0.00 0.00 61.98 61.45 2h39 s VAL 336 Cb 0.20 -1.22 -0.12 0.00 0.00 0.00 0.00 36.38 35.25 2h39 s VAL 336 CO 0.42 0.08 1.39 0.49 0.00 0.00 0.00 175.10 177.48 2h39 n PHE 337 N 4.91 2.51 0.18 5.22 3.01 -1.26 -4.73 117.46 127.29 2h39 n PHE 337 Ca -0.11 0.48 0.04 0.00 1.01 0.00 0.00 57.45 58.87 2h39 n PHE 337 Cb 0.48 -2.47 0.45 0.00 -0.01 0.00 0.00 39.48 37.93 2h39 n PHE 337 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2h39 h PRO 338 N 3.11 0.10 -0.81 -1.08 0.13 -1.85 -0.60 132.00 131.00 2h39 h PRO 338 Ca -0.47 -0.02 0.20 0.00 -0.87 0.00 0.00 66.00 64.83 2h39 h PRO 338 Cb 1.27 -0.01 -0.14 0.00 0.13 0.00 0.00 31.00 32.24 2h39 h PRO 338 CO 0.66 0.26 0.04 0.93 -0.23 0.00 0.00 178.00 179.67 2h39 h GLU 339 N 0.09 0.11 -0.23 0.86 3.07 -1.91 -0.84 114.58 115.73 2h39 h GLU 339 Ca 0.02 -0.01 -0.20 0.00 -0.50 0.00 0.00 59.36 58.67 2h39 h GLU 339 Cb 0.34 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.23 2h39 h GLU 339 CO 0.02 0.07 -0.65 -0.44 -1.40 0.00 0.00 179.01 176.61 2h39 h ASP 340 N 0.11 0.97 -0.78 1.42 3.32 -1.50 -2.89 116.42 117.07 2h39 h ASP 340 Ca 0.46 -0.57 -0.03 0.00 0.02 0.00 0.00 57.03 56.92 2h39 h ASP 340 Cb 0.86 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 40.09 2h39 h ASP 340 CO -0.70 1.37 0.38 0.58 -1.72 0.00 0.00 179.24 179.15 2h39 h VAL 341 N 0.62 1.24 -0.18 -1.35 2.07 -1.03 -2.61 116.25 115.01 2h39 h VAL 341 Ca -0.01 -0.68 -0.19 0.00 0.82 0.00 0.00 66.70 66.63 2h39 h VAL 341 Cb 1.27 0.23 0.01 0.00 -1.52 0.00 0.00 31.29 31.28 2h39 h VAL 341 CO 0.14 0.29 -0.64 0.00 0.02 0.00 0.00 177.57 177.39 2h39 h ALA 342 N 1.30 0.32 -0.43 1.67 0.00 -1.19 -1.55 119.26 119.39 2h39 h ALA 342 Ca 0.27 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 2h39 h ALA 342 Cb 0.11 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2h39 h ALA 342 CO -0.04 0.60 0.25 -0.22 0.00 0.00 0.00 179.25 179.84 2h39 h LYS 343 N 0.47 0.59 -0.46 0.00 3.64 -1.45 -1.20 116.57 118.16 2h39 h LYS 343 Ca -0.03 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.28 2h39 h LYS 343 Cb 1.26 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.94 2h39 h LYS 343 CO 0.13 0.45 0.26 0.28 -2.27 0.00 0.00 179.45 178.31 2h39 h VAL 344 N 0.56 1.16 0.00 2.00 2.07 -1.43 -3.09 116.25 117.53 2h39 h VAL 344 Ca 0.15 -0.40 -0.18 0.00 0.82 0.00 0.00 66.70 67.10 2h39 h VAL 344 Cb 0.03 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 2h39 h VAL 344 CO -0.03 0.17 -0.82 0.24 0.02 0.00 0.00 177.57 177.15 2h39 h MET 345 N 0.61 0.06 -0.72 1.57 2.86 -1.15 -2.81 114.93 115.35 2h39 h MET 345 Ca 0.16 -0.06 0.05 0.00 -2.06 0.00 0.00 59.70 57.79 2h39 h MET 345 Cb 0.04 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.67 2h39 h MET 345 CO -0.03 0.85 0.47 0.00 1.06 0.00 0.00 176.91 179.26 2h39 h ARG 346 N 0.03 0.79 -0.01 1.72 3.08 -1.27 -3.07 114.38 115.65 2h39 h ARG 346 Ca -0.02 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.98 2h39 h ARG 346 Cb 1.44 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 31.32 2h39 h ARG 346 CO 0.11 0.52 -0.06 0.39 -1.07 0.00 0.00 179.97 179.86 2h39 n GLU 347 N -4.47 1.42 -2.30 0.04 -0.58 -1.07 -4.89 120.64 108.80 2h39 n GLU 347 Ca 0.10 -0.81 -0.42 0.00 -0.42 0.00 0.00 57.16 55.61 2h39 n GLU 347 Cb 0.17 -1.48 -0.03 0.00 -0.57 0.00 0.00 31.44 29.53 2h39 n GLU 347 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2h39 s VAL 348 N -2.13 3.83 -0.10 2.62 1.01 -1.14 -5.02 120.40 119.46 2h39 s VAL 348 Ca 0.35 1.24 0.01 0.00 0.00 0.00 0.00 61.98 63.58 2h39 s VAL 348 Cb 0.21 -3.80 -0.02 0.00 0.00 0.00 0.00 36.38 32.77 2h39 s VAL 348 CO 0.38 0.03 -0.12 -0.94 0.00 0.00 0.00 175.10 174.45 2h39 s SER 349 N 1.55 4.14 0.00 3.32 1.04 -1.26 -5.07 113.70 117.42 2h39 s SER 349 Ca 0.61 -0.24 0.27 0.00 0.48 0.00 0.00 55.95 57.07 2h39 s SER 349 Cb -0.30 -1.36 0.78 0.00 0.10 0.00 0.00 66.02 65.24 2h39 s SER 349 CO 0.26 0.24 1.59 0.18 0.98 0.00 0.00 173.24 176.50