#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h14 s LYS 4 N 0.00 4.33 0.18 3.23 0.00 -1.26 -5.07 119.74 121.16 3h14 s LYS 4 Ca 0.00 0.65 -0.00 0.00 0.00 0.00 0.00 55.97 56.62 3h14 s LYS 4 Cb 0.00 -3.39 -0.04 0.00 0.00 0.00 0.00 37.83 34.40 3h14 s LYS 4 CO 0.00 0.24 0.35 -0.80 0.00 0.00 0.00 175.35 175.15 3h14 s ASN 5 N 0.27 6.38 0.71 0.03 0.01 -1.26 -5.11 114.94 115.97 3h14 s ASN 5 Ca 0.30 0.34 -0.11 0.00 -0.71 0.00 0.00 52.86 52.68 3h14 s ASN 5 Cb -0.17 -1.99 0.02 0.00 0.41 0.00 0.00 41.25 39.53 3h14 s ASN 5 CO 0.15 -0.00 1.09 -0.94 -1.51 0.00 0.00 177.10 175.88 3h14 s SER 6 N -3.11 5.38 0.14 -1.22 1.04 -1.26 -5.01 113.70 109.66 3h14 s SER 6 Ca 0.37 1.07 -0.15 0.00 0.48 0.00 0.00 55.95 57.72 3h14 s SER 6 Cb -0.11 -1.85 0.02 0.00 0.10 0.00 0.00 66.02 64.17 3h14 s SER 6 CO 0.29 -1.37 1.70 0.28 0.98 0.00 0.00 173.24 175.12 3h14 h SER 7 N -0.65 0.61 0.12 7.02 0.02 -2.00 -3.04 113.55 115.63 3h14 h SER 7 Ca -0.45 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.34 3h14 h SER 7 Cb 1.26 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.64 3h14 h SER 7 CO 0.64 0.60 0.00 0.08 -1.14 0.00 0.00 176.83 177.00 3h14 h ARG 8 N 0.58 0.00 0.00 3.45 0.11 -1.90 -1.98 114.38 114.65 3h14 h ARG 8 Ca 0.15 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.23 3h14 h ARG 8 Cb 0.17 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.25 3h14 h ARG 8 CO -0.01 0.00 0.00 -1.13 0.10 0.00 0.00 179.97 178.93 3h14 n SER 9 N -2.95 0.46 -3.04 0.08 3.41 -1.15 -3.96 113.62 106.47 3h14 n SER 9 Ca -0.02 0.56 -0.33 0.00 -0.26 0.00 0.00 58.87 58.81 3h14 n SER 9 Cb 0.09 -0.67 -0.04 0.00 -0.26 0.00 0.00 64.21 63.33 3h14 n SER 9 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h14 n ALA 10 N -1.67 6.87 -1.74 7.33 0.00 -0.74 -4.92 120.51 125.64 3h14 n ALA 10 Ca 0.05 -3.44 -0.32 0.00 0.00 0.00 0.00 53.44 49.73 3h14 n ALA 10 Cb 0.35 -2.73 -0.00 0.00 0.00 0.00 0.00 19.45 17.07 3h14 n ALA 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3h14 s VAL 11 N -0.30 4.21 0.07 0.00 -7.23 -1.26 -5.04 120.40 110.85 3h14 s VAL 11 Ca 0.61 0.97 -0.25 0.00 -1.81 0.00 0.00 61.98 61.49 3h14 s VAL 11 Cb 0.24 -3.57 -0.06 0.00 0.56 0.00 0.00 36.38 33.56 3h14 s VAL 11 CO -0.10 -0.70 0.78 -1.81 -0.31 0.00 0.00 175.10 172.96 3h14 s ASP 12 N -3.19 7.27 0.37 4.85 1.01 -1.26 -5.06 116.67 120.66 3h14 s ASP 12 Ca 0.60 1.51 -0.26 0.00 0.71 0.00 0.00 52.55 55.11 3h14 s ASP 12 Cb -0.13 -2.48 -0.09 0.00 1.01 0.00 0.00 42.92 41.23 3h14 s ASP 12 CO 0.39 0.05 1.13 -2.16 0.21 0.00 0.00 175.17 174.79 3h14 s PRO 13 N -0.28 4.24 -0.07 8.23 0.04 -1.26 -4.96 135.00 140.95 3h14 s PRO 13 Ca 0.39 1.76 -0.30 0.00 0.04 0.00 0.00 61.00 62.89 3h14 s PRO 13 Cb -0.21 -2.79 -0.03 0.00 0.04 0.00 0.00 34.50 31.51 3h14 s PRO 13 CO 0.24 -0.13 1.16 -0.06 0.04 0.00 0.00 177.00 178.25 3h14 s PHE 14 N -1.40 3.24 0.56 0.56 0.08 -1.26 -4.89 117.98 114.87 3h14 s PHE 14 Ca 0.54 1.29 0.24 0.00 0.12 0.00 0.00 56.93 59.11 3h14 s PHE 14 Cb -0.29 -3.37 1.53 0.00 -0.57 0.00 0.00 43.02 40.32 3h14 s PHE 14 CO 0.37 -1.09 2.15 0.82 -0.10 0.00 0.00 175.22 177.37 3h14 h ILE 15 N 5.06 0.71 0.00 0.64 1.08 -1.97 -3.40 117.51 119.64 3h14 h ILE 15 Ca -0.33 0.00 -0.14 0.00 -0.39 0.00 0.00 64.86 64.00 3h14 h ILE 15 Cb 1.15 0.93 -0.00 0.00 -3.07 0.00 0.00 36.82 35.83 3h14 h ILE 15 CO 0.88 0.00 1.16 0.55 -0.69 0.00 0.00 178.15 180.05 3h14 n VAL 16 N -4.16 1.15 0.00 1.67 3.14 -1.26 -4.43 118.33 114.44 3h14 n VAL 16 Ca -0.00 -0.65 0.00 0.00 -2.96 0.00 0.00 64.34 60.73 3h14 n VAL 16 Cb 0.20 -1.76 0.00 0.00 -1.06 0.00 0.00 33.84 31.22 3h14 n VAL 16 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 3h14 n ASP 18 N 3.82 0.00 -0.89 6.55 9.92 -1.26 -4.66 116.55 130.03 3h14 n ASP 18 Ca 0.19 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.45 3h14 n ASP 18 Cb 0.16 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.64 3h14 n ASP 18 CO 0.00 0.00 0.00 0.55 0.13 0.00 0.00 177.20 177.88 3h14 n VAL 19 N 0.00 0.29 0.00 2.53 3.14 -1.26 -1.10 118.33 121.92 3h14 n VAL 19 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 3h14 n VAL 19 Cb 0.00 -0.57 0.00 0.00 -1.06 0.00 0.00 33.84 32.21 3h14 n VAL 19 CO 0.00 0.00 0.00 -1.84 -6.46 0.00 0.00 176.83 168.53 3h14 n GLU 21 N 0.70 0.00 -0.13 1.45 0.28 -1.26 0.64 120.64 122.31 3h14 n GLU 21 Ca 0.00 0.00 0.08 0.00 -0.16 0.00 0.00 57.16 57.08 3h14 n GLU 21 Cb 0.17 0.00 0.40 0.00 1.43 0.00 0.00 31.44 33.44 3h14 n GLU 21 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3h14 h ALA 22 N 0.00 1.79 -0.42 -1.84 0.00 -1.51 0.21 119.26 117.48 3h14 h ALA 22 Ca 0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3h14 h ALA 22 Cb 0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3h14 h ALA 22 CO 0.00 0.11 0.06 0.00 0.00 0.00 0.00 179.25 179.41 3h14 h ALA 23 N 1.65 0.56 -0.45 0.00 0.00 -0.04 -0.71 119.26 120.26 3h14 h ALA 23 Ca 0.28 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.97 3h14 h ALA 23 Cb 0.29 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3h14 h ALA 23 CO -0.09 0.28 0.30 -0.09 0.00 0.00 0.00 179.25 179.66 3h14 h ARG 24 N 0.55 0.59 -0.79 0.00 2.43 -1.62 -1.28 114.38 114.26 3h14 h ARG 24 Ca 0.13 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 3h14 h ARG 24 Cb 0.39 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.77 3h14 h ARG 24 CO 0.01 0.39 0.45 0.00 -1.51 0.00 0.00 179.97 179.32 3h14 h ARG 25 N 0.61 1.09 -0.03 0.20 3.08 -0.83 -0.63 114.38 117.86 3h14 h ARG 25 Ca 0.17 -0.11 0.02 0.00 0.07 0.00 0.00 59.98 60.12 3h14 h ARG 25 Cb -0.07 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 29.74 3h14 h ARG 25 CO -0.04 0.79 -0.08 0.00 -1.07 0.00 0.00 179.97 179.57 3h14 h ALA 26 N 1.24 -0.05 -0.79 0.04 0.00 -0.86 -2.31 119.26 116.53 3h14 h ALA 26 Ca 0.28 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 3h14 h ALA 26 Cb -0.00 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 3h14 h ALA 26 CO -0.05 -0.56 0.38 0.93 0.00 0.00 0.00 179.25 179.95 3h14 h GLU 27 N -0.12 1.14 -0.15 0.00 5.08 -1.02 -1.98 114.58 117.53 3h14 h GLU 27 Ca 0.04 -0.17 0.01 0.00 -1.00 0.00 0.00 59.36 58.24 3h14 h GLU 27 Cb 0.17 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 3h14 h GLU 27 CO -0.10 0.88 0.10 0.93 -1.00 0.00 0.00 179.01 179.82 3h14 h GLU 28 N 1.12 0.16 -0.00 2.33 5.08 -0.92 0.37 114.58 122.71 3h14 h GLU 28 Ca 0.27 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 3h14 h GLU 28 Cb 0.12 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3h14 h GLU 28 CO -0.03 0.10 -0.08 0.00 -1.00 0.00 0.00 179.01 178.00 3h14 n ALA 29 N -2.53 2.63 0.00 3.43 0.00 -0.80 -4.92 120.51 118.32 3h14 n ALA 29 Ca -0.00 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.25 3h14 n ALA 29 Cb 0.11 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.16 3h14 n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h14 n GLY 30 N 1.35 1.06 3.80 0.00 0.00 0.12 -5.09 105.19 106.43 3h14 n GLY 30 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 3h14 n GLY 30 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3h14 s ARG 31 N -0.37 3.76 -0.18 1.61 1.04 -0.89 -4.98 118.95 118.95 3h14 s ARG 31 Ca 0.00 -0.19 -0.24 0.00 -1.04 0.00 0.00 55.73 54.26 3h14 s ARG 31 Cb 0.00 -3.27 -0.02 0.00 -2.04 0.00 0.00 34.95 29.62 3h14 s ARG 31 CO 0.00 0.55 0.79 0.50 -0.04 0.00 0.00 175.30 177.10 3h14 s ARG 32 N -0.38 4.28 -0.09 3.89 3.52 -1.26 -3.63 118.95 125.27 3h14 s ARG 32 Ca 0.11 0.93 -0.02 0.00 -0.13 0.00 0.00 55.73 56.63 3h14 s ARG 32 Cb -0.12 -3.58 -0.03 0.00 -1.56 0.00 0.00 34.95 29.67 3h14 s ARG 32 CO 0.01 -0.31 -0.00 0.42 -0.81 0.00 0.00 175.30 174.61 3h14 s ILE 33 N 2.10 4.27 -0.20 4.11 -1.09 -1.26 -4.94 121.20 124.18 3h14 s ILE 33 Ca 0.36 -0.26 -0.19 0.00 -2.23 0.00 0.00 60.65 58.33 3h14 s ILE 33 Cb -0.16 -2.79 -0.03 0.00 -1.58 0.00 0.00 42.46 37.89 3h14 s ILE 33 CO 0.12 0.60 0.54 -0.63 -1.23 0.00 0.00 174.94 174.34 3h14 s ILE 34 N -0.83 5.09 0.10 2.92 -1.09 -0.51 -4.97 121.20 121.90 3h14 s ILE 34 Ca 0.13 0.99 -0.06 0.00 -2.23 0.00 0.00 60.65 59.48 3h14 s ILE 34 Cb -0.11 -3.86 -0.05 0.00 -1.58 0.00 0.00 42.46 36.86 3h14 s ILE 34 CO 0.02 0.16 0.34 -1.00 -1.23 0.00 0.00 174.94 173.23 3h14 s HIS 35 N 1.74 3.52 0.00 3.97 3.76 -1.26 -0.69 115.29 126.32 3h14 s HIS 35 Ca 0.25 0.58 0.00 0.00 -0.15 0.00 0.00 55.06 55.73 3h14 s HIS 35 Cb -0.15 -2.01 0.00 0.00 1.11 0.00 0.00 32.58 31.53 3h14 s HIS 35 CO 0.10 0.50 0.00 -0.85 -0.85 0.00 0.00 174.74 173.64 3h14 n GLU 37 N 0.47 0.00 -3.81 1.40 0.00 -0.91 -4.78 120.64 113.02 3h14 n GLU 37 Ca -0.05 0.00 -0.35 0.00 0.00 0.00 0.00 57.16 56.76 3h14 n GLU 37 Cb 0.52 -3.12 -0.05 0.00 0.00 0.00 0.00 31.44 28.79 3h14 n GLU 37 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 3h14 s VAL 38 N -1.86 5.37 -0.79 3.84 1.01 -1.26 -4.73 120.40 121.98 3h14 s VAL 38 Ca 0.00 0.11 -0.01 0.00 0.00 0.00 0.00 61.98 62.08 3h14 s VAL 38 Cb 0.00 -3.53 0.36 0.00 0.00 0.00 0.00 36.38 33.21 3h14 s VAL 38 CO 0.00 0.41 1.88 0.61 0.00 0.00 0.00 175.10 177.99 3h14 n GLY 39 N 1.25 5.62 3.24 4.51 0.00 -1.26 -4.74 105.19 113.81 3h14 n GLY 39 Ca -0.13 -2.53 -0.13 0.00 0.00 0.00 0.00 46.02 43.23 3h14 n GLY 39 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3h14 s GLN 40 N -4.01 0.65 0.65 1.61 -0.21 -1.26 -5.08 119.66 112.02 3h14 s GLN 40 Ca 0.51 -0.16 -0.17 0.00 0.02 0.00 0.00 55.36 55.56 3h14 s GLN 40 Cb 0.42 0.29 -0.02 0.00 1.00 0.00 0.00 33.01 34.70 3h14 s GLN 40 CO -0.37 -0.17 1.08 -2.30 -2.12 0.00 0.00 175.29 171.40 3h14 n PRO 41 N 1.37 0.84 0.24 2.91 -0.02 -1.26 -4.81 135.00 134.27 3h14 n PRO 41 Ca -0.21 0.34 0.15 0.00 -2.02 0.00 0.00 63.50 61.76 3h14 n PRO 41 Cb 0.56 -2.31 0.57 0.00 -0.02 0.00 0.00 33.50 32.30 3h14 n PRO 41 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3h14 h GLY 42 N 0.26 0.00 -3.16 -1.23 0.00 -1.81 -3.46 103.07 93.68 3h14 h GLY 42 Ca -0.49 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.35 3h14 h GLY 42 CO 0.50 0.00 -0.30 -0.51 0.00 0.00 0.00 176.54 176.24 3h14 s THR 43 N -3.52 5.18 0.10 4.70 -4.23 -1.26 -5.03 115.64 111.58 3h14 s THR 43 Ca 0.03 -0.56 -0.01 0.00 -1.18 0.00 0.00 61.69 59.97 3h14 s THR 43 Cb 0.09 -3.82 0.02 0.00 1.34 0.00 0.00 72.50 70.13 3h14 s THR 43 CO 0.54 -0.37 0.14 0.61 -0.54 0.00 0.00 174.62 175.00 3h14 n GLY 44 N -1.32 0.30 3.68 3.99 0.00 -1.26 -4.87 105.19 105.71 3h14 n GLY 44 Ca -0.06 -1.90 -0.41 0.00 0.00 0.00 0.00 46.02 43.65 3h14 n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h14 n ALA 45 N -3.02 0.97 -1.59 4.61 0.00 -0.85 -4.82 120.51 115.81 3h14 n ALA 45 Ca -0.02 0.26 -0.36 0.00 0.00 0.00 0.00 53.44 53.32 3h14 n ALA 45 Cb 0.08 -2.21 0.07 0.00 0.00 0.00 0.00 19.45 17.38 3h14 n ALA 45 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3h14 s PRO 46 N -2.13 2.52 0.27 0.00 0.04 -1.26 -4.76 135.00 129.68 3h14 s PRO 46 Ca 0.61 1.87 -0.00 0.00 0.04 0.00 0.00 61.00 63.52 3h14 s PRO 46 Cb -0.53 -1.87 0.54 0.00 0.04 0.00 0.00 34.50 32.69 3h14 s PRO 46 CO 0.58 -1.57 1.79 0.07 0.04 0.00 0.00 177.00 177.91 3h14 h ARG 47 N 0.32 0.73 -0.81 4.56 -0.00 -1.98 -1.67 114.38 115.53 3h14 h ARG 47 Ca -0.49 -0.04 -0.02 0.00 -0.00 0.00 0.00 59.98 59.42 3h14 h ARG 47 Cb 1.31 -0.16 -0.04 0.00 -0.00 0.00 0.00 29.97 31.08 3h14 h ARG 47 CO 0.52 0.48 0.43 0.78 -0.00 0.00 0.00 179.97 182.18 3h14 h GLY 48 N 0.75 1.22 0.98 0.08 0.00 -1.92 0.98 103.07 105.17 3h14 h GLY 48 Ca 0.48 -0.57 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 3h14 h GLY 48 CO -0.32 0.54 0.28 0.00 0.00 0.00 0.00 176.54 177.04 3h14 h ALA 49 N 1.32 0.63 -0.24 3.60 0.00 -1.56 -1.51 119.26 121.50 3h14 h ALA 49 Ca 0.29 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 3h14 h ALA 49 Cb 0.06 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3h14 h ALA 49 CO -0.04 0.14 -0.03 0.28 0.00 0.00 0.00 179.25 179.60 3h14 h VAL 50 N 0.66 1.27 -0.41 0.00 2.07 -0.76 -2.43 116.25 116.64 3h14 h VAL 50 Ca 0.18 -0.98 0.08 0.00 0.82 0.00 0.00 66.70 66.79 3h14 h VAL 50 Cb 0.03 1.43 -0.07 0.00 -1.52 0.00 0.00 31.29 31.15 3h14 h VAL 50 CO -0.03 0.31 -0.03 -0.33 0.02 0.00 0.00 177.57 177.50 3h14 h GLU 51 N 0.20 0.07 -0.45 1.57 5.08 -0.83 -0.59 114.58 119.63 3h14 h GLU 51 Ca 0.07 -0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.44 3h14 h GLU 51 Cb 0.47 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 3h14 h GLU 51 CO 0.02 0.04 0.27 0.00 -1.00 0.00 0.00 179.01 178.34 3h14 h ALA 52 N 1.38 0.57 -0.21 3.43 0.00 -1.11 -0.72 119.26 122.59 3h14 h ALA 52 Ca 0.20 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 3h14 h ALA 52 Cb 0.30 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3h14 h ALA 52 CO -0.37 -0.05 0.03 1.25 0.00 0.00 0.00 179.25 180.11 3h14 h LEU 53 N 0.54 0.34 -0.93 0.00 5.85 -1.33 -2.42 115.31 117.36 3h14 h LEU 53 Ca 0.18 -0.27 0.13 0.00 0.84 0.00 0.00 57.88 58.76 3h14 h LEU 53 Cb 0.01 -0.09 -0.09 0.00 0.37 0.00 0.00 40.66 40.87 3h14 h LEU 53 CO -0.08 0.52 0.55 0.00 -0.34 0.00 0.00 178.44 179.09 3h14 h ALA 54 N 0.83 1.40 -0.10 1.25 0.00 -0.66 -0.35 119.26 121.65 3h14 h ALA 54 Ca 0.06 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3h14 h ALA 54 Cb 0.33 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 3h14 h ALA 54 CO 0.01 0.10 0.02 1.57 0.00 0.00 0.00 179.25 180.95 3h14 h LYS 55 N 0.85 0.15 -0.84 0.00 5.09 -1.11 -2.49 116.57 118.22 3h14 h LYS 55 Ca 0.48 -0.04 0.01 0.00 0.09 0.00 0.00 60.65 61.18 3h14 h LYS 55 Cb 0.54 -0.02 -0.04 0.00 0.10 0.00 0.00 32.23 32.81 3h14 h LYS 55 CO -0.29 0.34 0.55 0.66 -2.09 0.00 0.00 179.45 178.61 3h14 h SER 56 N -0.06 0.97 -0.73 7.07 4.64 -0.89 -1.32 113.55 123.23 3h14 h SER 56 Ca 0.03 -0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 3h14 h SER 56 Cb 0.26 -0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 62.07 3h14 h SER 56 CO 0.00 0.71 0.36 -0.07 -0.87 0.00 0.00 176.83 176.96 3h14 h LEU 57 N 1.14 0.97 0.00 5.97 3.38 -0.99 -3.51 115.31 122.26 3h14 h LEU 57 Ca 0.31 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3h14 h LEU 57 Cb -0.12 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.38 3h14 h LEU 57 CO -0.06 0.82 0.00 -0.62 0.09 0.00 0.00 178.44 178.67 3h14 n GLU 58 N -4.32 0.77 0.00 1.13 1.02 -0.50 -5.11 120.64 113.62 3h14 n GLU 58 Ca 0.07 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 3h14 n GLU 58 Cb 0.14 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.06 3h14 n GLU 58 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3h14 n GLY 69 N 0.79 -2.18 3.68 0.62 0.00 -1.26 -5.06 105.19 101.79 3h14 n GLY 69 Ca 0.19 -1.42 -0.49 0.00 0.00 0.00 0.00 46.02 44.30 3h14 n GLY 69 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3h14 n LEU 70 N 0.00 3.27 -0.26 0.99 7.94 -1.26 -4.90 117.00 122.78 3h14 n LEU 70 Ca 0.00 1.00 0.04 0.00 -1.11 0.00 0.00 56.01 55.94 3h14 n LEU 70 Cb 0.00 -1.36 0.17 0.00 0.53 0.00 0.00 43.42 42.76 3h14 n LEU 70 CO 0.00 -0.14 1.07 -0.65 -1.11 0.00 0.00 177.39 176.56 3h14 h PRO 71 N 8.41 0.57 -0.73 1.96 0.11 -2.01 -1.83 132.00 138.47 3h14 h PRO 71 Ca -0.48 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.61 3h14 h PRO 71 Cb 1.27 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 32.22 3h14 h PRO 71 CO 0.94 0.38 0.49 0.00 -0.21 0.00 0.00 178.00 179.59 3h14 h ALA 72 N 1.48 1.50 -0.11 -0.75 0.00 -1.99 -0.74 119.26 118.65 3h14 h ALA 72 Ca 0.39 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.19 3h14 h ALA 72 Cb 0.48 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 3h14 h ALA 72 CO -0.32 0.46 -0.17 1.25 0.00 0.00 0.00 179.25 180.48 3h14 h LEU 73 N 0.97 0.34 -0.56 0.00 5.85 -1.76 0.11 115.31 120.25 3h14 h LEU 73 Ca 0.27 -0.53 0.11 0.00 0.84 0.00 0.00 57.88 58.58 3h14 h LEU 73 Cb -0.08 -0.10 -0.09 0.00 0.37 0.00 0.00 40.66 40.77 3h14 h LEU 73 CO -0.06 0.80 0.05 0.03 -0.34 0.00 0.00 178.44 178.92 3h14 h ARG 74 N -0.11 0.17 -0.78 1.25 3.08 -1.28 -0.35 114.38 116.36 3h14 h ARG 74 Ca 0.01 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 3h14 h ARG 74 Cb 0.73 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.70 3h14 h ARG 74 CO 0.04 0.11 0.37 1.96 -1.07 0.00 0.00 179.97 181.38 3h14 h GLN 75 N 0.18 1.13 -0.46 0.04 4.20 -1.07 -1.95 115.11 117.17 3h14 h GLN 75 Ca 0.29 -0.17 -0.12 0.00 0.06 0.00 0.00 58.65 58.72 3h14 h GLN 75 Cb 0.45 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 28.01 3h14 h GLN 75 CO -0.43 0.88 -0.17 -0.09 -0.67 0.00 0.00 178.83 178.34 3h14 h ARG 76 N 1.11 0.90 -0.26 1.46 9.65 -0.38 -2.03 114.38 124.83 3h14 h ARG 76 Ca 0.27 -0.35 -0.01 0.00 -1.10 0.00 0.00 59.98 58.79 3h14 h ARG 76 Cb 0.13 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 28.65 3h14 h ARG 76 CO -0.03 1.00 0.12 0.82 2.80 0.00 0.00 179.97 184.68 3h14 h ILE 77 N 0.79 1.15 -0.76 1.20 2.04 -1.00 -2.18 117.51 118.76 3h14 h ILE 77 Ca 0.11 -0.45 0.13 0.00 1.00 0.00 0.00 64.86 65.66 3h14 h ILE 77 Cb 0.71 0.97 -0.09 0.00 -0.74 0.00 0.00 36.82 37.67 3h14 h ILE 77 CO 0.05 0.15 0.33 0.00 0.00 0.00 0.00 178.15 178.69 3h14 h ALA 78 N 0.98 1.07 -0.94 1.87 0.00 -1.20 0.51 119.26 121.55 3h14 h ALA 78 Ca 0.09 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3h14 h ALA 78 Cb 0.13 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 3h14 h ALA 78 CO -0.01 -0.16 0.59 -0.09 0.00 0.00 0.00 179.25 179.59 3h14 h ARG 79 N 0.50 1.25 -0.85 0.00 2.43 -1.22 -2.19 114.38 114.31 3h14 h ARG 79 Ca 0.41 -0.09 0.11 0.00 -0.81 0.00 0.00 59.98 59.59 3h14 h ARG 79 Cb 0.57 -0.27 -0.06 0.00 -0.42 0.00 0.00 29.97 29.79 3h14 h ARG 79 CO -0.37 0.85 0.55 1.25 -1.51 0.00 0.00 179.97 180.75 3h14 h LEU 80 N 1.28 0.70 -0.83 3.80 6.46 -0.25 -1.42 115.31 125.04 3h14 h LEU 80 Ca 0.34 0.02 -0.10 0.00 -0.12 0.00 0.00 57.88 58.02 3h14 h LEU 80 Cb -0.10 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 39.69 3h14 h LEU 80 CO -0.07 0.40 -0.24 1.88 -0.62 0.00 0.00 178.44 179.79 3h14 h TYR 81 N 0.77 0.68 0.01 1.25 0.05 -0.92 0.35 116.97 119.16 3h14 h TYR 81 Ca 0.40 -0.15 -0.00 0.00 0.05 0.00 0.00 58.73 59.03 3h14 h TYR 81 Cb 0.51 -0.17 0.00 0.00 1.01 0.00 0.00 36.73 38.08 3h14 h TYR 81 CO -0.00 0.79 -0.00 0.78 -1.05 0.00 0.00 178.16 178.67 3h14 h GLY 82 N 1.00 -0.01 1.20 3.88 0.00 -0.88 -1.52 103.07 106.73 3h14 h GLY 82 Ca 0.08 0.01 -0.14 0.00 0.00 0.00 0.00 47.33 47.27 3h14 h GLY 82 CO 0.05 -0.01 -0.32 0.83 0.00 0.00 0.00 176.54 177.10 3h14 h GLU 83 N -0.37 0.89 0.10 4.80 5.08 -1.01 0.29 114.58 124.35 3h14 h GLU 83 Ca -0.00 -0.42 -0.29 0.00 -1.00 0.00 0.00 59.36 57.65 3h14 h GLU 83 Cb 0.37 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 3h14 h GLU 83 CO 0.00 1.07 -1.44 -1.49 -1.00 0.00 0.00 179.01 176.15 3h14 h TRP 84 N 0.74 0.38 0.00 4.33 4.06 -0.42 -3.42 115.95 121.63 3h14 h TRP 84 Ca 0.08 -0.28 0.00 0.00 2.06 0.00 0.00 58.89 60.75 3h14 h TRP 84 Cb 0.89 -0.02 0.00 0.00 -1.00 0.00 0.00 29.16 29.03 3h14 h TRP 84 CO 0.05 1.30 0.00 0.66 -3.56 0.00 0.00 178.44 176.89 3h14 n TYR 85 N -3.43 0.00 -2.42 0.49 4.01 -0.66 -5.00 117.16 110.16 3h14 n TYR 85 Ca -0.13 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.42 3h14 n TYR 85 Cb 1.03 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 40.06 3h14 n TYR 85 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3h14 n GLY 86 N 0.25 -0.40 3.66 2.72 0.00 0.09 -4.97 105.19 106.53 3h14 n GLY 86 Ca 0.00 -0.08 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 3h14 n GLY 86 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h14 s VAL 87 N -2.95 5.30 -0.43 1.61 1.01 -0.71 -4.91 120.40 119.31 3h14 s VAL 87 Ca 0.03 0.16 -0.25 0.00 0.00 0.00 0.00 61.98 61.92 3h14 s VAL 87 Cb -0.01 -3.46 0.02 0.00 0.00 0.00 0.00 36.38 32.93 3h14 s VAL 87 CO 0.04 0.37 0.89 -0.62 0.00 0.00 0.00 175.10 175.78 3h14 s ASP 88 N 0.92 6.52 -0.06 3.32 2.15 -1.26 -1.94 116.67 126.32 3h14 s ASP 88 Ca 0.07 0.19 0.04 0.00 0.43 0.00 0.00 52.55 53.28 3h14 s ASP 88 Cb -0.13 -2.44 0.00 0.00 -0.30 0.00 0.00 42.92 40.05 3h14 s ASP 88 CO 0.03 -0.97 -0.18 -0.22 -0.17 0.00 0.00 175.17 173.67 3h14 s LEU 89 N 3.57 1.89 0.04 -1.34 2.96 -1.26 -5.06 118.68 119.48 3h14 s LEU 89 Ca 0.36 -0.40 -0.31 0.00 -0.22 0.00 0.00 54.13 53.56 3h14 s LEU 89 Cb -0.11 -1.07 -0.06 0.00 0.50 0.00 0.00 46.19 45.45 3h14 s LEU 89 CO 0.24 0.13 1.28 -0.62 -1.32 0.00 0.00 176.35 176.05 3h14 s ASP 90 N 0.28 6.97 0.65 3.68 2.15 -1.26 -4.83 116.67 124.31 3h14 s ASP 90 Ca -0.11 2.07 0.42 0.00 0.43 0.00 0.00 52.55 55.36 3h14 s ASP 90 Cb -0.15 -2.57 2.31 0.00 -0.30 0.00 0.00 42.92 42.22 3h14 s ASP 90 CO 0.04 -0.58 2.35 1.55 -0.17 0.00 0.00 175.17 178.37 3h14 h PRO 91 N 7.12 0.00 0.00 4.34 0.13 -1.93 -1.87 132.00 139.78 3h14 h PRO 91 Ca -0.40 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.73 3h14 h PRO 91 Cb 1.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 3h14 h PRO 91 CO 0.85 0.00 -0.01 0.78 -0.23 0.00 0.00 178.00 179.40 3h14 h GLY 92 N 0.05 0.00 0.83 1.56 0.00 -1.91 -2.01 103.07 101.58 3h14 h GLY 92 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3h14 h GLY 92 CO 0.00 0.00 -0.29 0.54 0.00 0.00 0.00 176.54 176.79 3h14 n ARG 93 N -3.58 0.42 -3.07 4.80 1.74 -0.70 -4.81 116.66 111.45 3h14 n ARG 93 Ca -0.03 -0.21 -0.41 0.00 -0.77 0.00 0.00 57.85 56.44 3h14 n ARG 93 Cb 0.09 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 29.98 3h14 n ARG 93 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3h14 s VAL 94 N -2.73 4.97 -0.19 1.55 1.01 -0.76 -2.45 120.40 121.80 3h14 s VAL 94 Ca 0.19 1.25 -0.04 0.00 0.00 0.00 0.00 61.98 63.39 3h14 s VAL 94 Cb 0.19 -3.98 -0.02 0.00 0.00 0.00 0.00 36.38 32.58 3h14 s VAL 94 CO 0.58 0.05 -0.04 -0.69 0.00 0.00 0.00 175.10 175.00 3h14 s VAL 95 N 2.26 3.52 0.00 2.92 1.01 -1.26 -4.87 120.40 123.98 3h14 s VAL 95 Ca 0.29 -0.46 -0.28 0.00 0.00 0.00 0.00 61.98 61.54 3h14 s VAL 95 Cb -0.16 -2.58 -0.04 0.00 0.00 0.00 0.00 36.38 33.61 3h14 s VAL 95 CO 0.09 0.45 0.87 -0.63 0.00 0.00 0.00 175.10 175.89 3h14 s ILE 96 N 1.07 4.86 0.28 2.22 -1.09 -1.26 -4.23 121.20 123.05 3h14 s ILE 96 Ca 0.01 1.84 0.09 0.00 -2.23 0.00 0.00 60.65 60.36 3h14 s ILE 96 Cb -0.15 -4.22 -0.06 0.00 -1.58 0.00 0.00 42.46 36.46 3h14 s ILE 96 CO 0.00 0.23 -0.12 0.42 -1.23 0.00 0.00 174.94 174.24 3h14 s THR 97 N 0.69 2.01 0.00 2.92 -4.23 0.28 -4.56 115.64 112.76 3h14 s THR 97 Ca 0.46 -2.23 0.00 0.00 -1.18 0.00 0.00 61.69 58.74 3h14 s THR 97 Cb -0.20 -2.40 0.00 0.00 1.34 0.00 0.00 72.50 71.24 3h14 s THR 97 CO 0.25 -0.35 0.89 -0.81 -0.54 0.00 0.00 174.62 174.06 3h14 n PRO 98 N -0.61 0.65 0.00 3.99 -0.04 -1.26 -0.61 135.00 137.11 3h14 n PRO 98 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 3h14 n PRO 98 Cb 0.62 -1.18 0.00 0.00 -0.04 0.00 0.00 33.50 32.90 3h14 n PRO 98 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3h14 n GLY 99 N 1.06 -0.60 0.26 0.55 0.00 -1.25 -3.72 105.19 101.49 3h14 n GLY 99 Ca 0.00 -2.20 -0.12 0.00 0.00 0.00 0.00 46.02 43.70 3h14 n GLY 99 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3h14 h SER 100 N 0.00 0.95 -0.69 1.61 4.64 -1.86 -2.39 113.55 115.81 3h14 h SER 100 Ca 0.00 -0.42 -0.04 0.00 -0.47 0.00 0.00 61.79 60.86 3h14 h SER 100 Cb 0.00 -0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 61.80 3h14 h SER 100 CO 0.00 1.16 0.27 0.28 -0.87 0.00 0.00 176.83 177.67 3h14 h SER 101 N 0.74 0.97 -0.75 4.97 0.02 -1.95 0.21 113.55 117.76 3h14 h SER 101 Ca 0.09 -0.15 -0.05 0.00 -0.84 0.00 0.00 61.79 60.84 3h14 h SER 101 Cb 0.82 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 63.07 3h14 h SER 101 CO 0.07 0.87 0.27 1.23 -1.14 0.00 0.00 176.83 178.13 3h14 h GLY 102 N 1.09 1.23 0.87 -3.77 0.00 -1.79 -0.49 103.07 100.21 3h14 h GLY 102 Ca 0.24 -0.70 -0.03 0.00 0.00 0.00 0.00 47.33 46.84 3h14 h GLY 102 CO -0.02 0.65 0.03 -1.33 0.00 0.00 0.00 176.54 175.88 3h14 h GLY 103 N 1.13 0.47 1.00 4.60 0.00 -0.77 -1.61 103.07 107.89 3h14 h GLY 103 Ca 0.25 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.26 3h14 h GLY 103 CO -0.01 0.30 0.36 0.74 0.00 0.00 0.00 176.54 177.93 3h14 h PHE 104 N 0.24 0.71 -0.90 5.60 0.04 -0.43 0.91 116.94 123.10 3h14 h PHE 104 Ca 0.08 0.01 0.07 0.00 2.80 0.00 0.00 57.97 60.93 3h14 h PHE 104 Cb 0.35 -0.24 -0.06 0.00 2.20 0.00 0.00 35.95 38.20 3h14 h PHE 104 CO 0.02 0.46 0.57 1.25 -0.60 0.00 0.00 178.31 180.01 3h14 h LEU 105 N 0.76 0.89 0.06 1.54 5.85 -0.98 0.56 115.31 123.98 3h14 h LEU 105 Ca 0.20 0.02 -0.19 0.00 0.84 0.00 0.00 57.88 58.75 3h14 h LEU 105 Cb -0.07 -0.17 0.02 0.00 0.37 0.00 0.00 40.66 40.81 3h14 h LEU 105 CO -0.04 0.56 -0.79 -0.07 -0.34 0.00 0.00 178.44 177.75 3h14 h LEU 106 N 1.02 0.59 0.09 2.25 3.38 -0.91 -1.44 115.31 120.29 3h14 h LEU 106 Ca 0.40 -0.82 0.01 0.00 0.09 0.00 0.00 57.88 57.56 3h14 h LEU 106 Cb 0.20 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3h14 h LEU 106 CO -0.18 1.35 -0.17 0.00 0.09 0.00 0.00 178.44 179.53 3h14 h ALA 107 N 0.25 -0.28 -0.21 1.53 0.00 -0.69 -1.51 119.26 118.35 3h14 h ALA 107 Ca -0.12 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 3h14 h ALA 107 Cb 1.53 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.57 3h14 h ALA 107 CO 0.15 -0.69 -0.26 0.74 0.00 0.00 0.00 179.25 179.19 3h14 h PHE 108 N -0.33 0.45 -0.45 0.00 0.04 -0.88 -1.91 116.94 113.87 3h14 h PHE 108 Ca 0.03 -0.09 -0.09 0.00 2.80 0.00 0.00 57.97 60.61 3h14 h PHE 108 Cb 0.35 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.37 3h14 h PHE 108 CO -0.18 0.63 -0.08 1.15 -0.60 0.00 0.00 178.31 179.24 3h14 h THR 109 N 0.36 1.27 -0.34 -1.55 2.02 -1.04 -1.36 112.91 112.27 3h14 h THR 109 Ca 0.05 -1.17 -0.06 0.00 0.77 0.00 0.00 66.41 66.00 3h14 h THR 109 Cb 0.65 1.12 -0.02 0.00 -1.74 0.00 0.00 68.15 68.16 3h14 h THR 109 CO 0.05 0.40 -0.06 0.00 0.37 0.00 0.00 175.52 176.28 3h14 h ALA 110 N 0.88 1.26 0.00 6.16 0.00 -1.06 -3.36 119.26 123.13 3h14 h ALA 110 Ca 0.12 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3h14 h ALA 110 Cb 0.60 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3h14 h ALA 110 CO 0.04 0.49 -1.68 1.28 0.00 0.00 0.00 179.25 179.38 3h14 n LEU 111 N -4.23 0.04 -4.06 0.00 4.77 -0.74 -5.03 117.00 107.76 3h14 n LEU 111 Ca 0.01 -0.03 -0.12 0.00 -0.03 0.00 0.00 56.01 55.85 3h14 n LEU 111 Cb 0.29 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.27 3h14 n LEU 111 CO 0.40 0.01 -0.39 -0.36 -1.33 0.00 0.00 177.39 175.72 3h14 s PHE 112 N -3.08 0.61 0.31 -1.77 0.08 -0.52 -5.01 117.98 108.59 3h14 s PHE 112 Ca -0.05 -0.58 0.10 0.00 0.12 0.00 0.00 56.93 56.51 3h14 s PHE 112 Cb 0.10 -0.37 -0.05 0.00 -0.57 0.00 0.00 43.02 42.13 3h14 s PHE 112 CO 0.67 -0.13 -0.05 -0.51 -0.10 0.00 0.00 175.22 175.10 3h14 s ASP 113 N -1.80 4.07 -0.18 1.36 1.01 -1.26 -4.70 116.67 115.16 3h14 s ASP 113 Ca -0.08 -0.96 -0.42 0.00 0.71 0.00 0.00 52.55 51.80 3h14 s ASP 113 Cb -0.07 -0.52 -0.19 0.00 1.01 0.00 0.00 42.92 43.15 3h14 s ASP 113 CO -0.01 -0.13 1.36 -1.20 0.21 0.00 0.00 175.17 175.40 3h14 n SER 114 N -0.85 0.92 0.00 0.27 7.64 -1.26 -0.86 113.62 119.47 3h14 n SER 114 Ca -0.05 1.15 0.00 0.00 1.01 0.00 0.00 58.87 60.98 3h14 n SER 114 Cb 0.61 -0.97 0.00 0.00 -1.01 0.00 0.00 64.21 62.84 3h14 n SER 114 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3h14 n GLY 115 N 2.78 1.15 3.77 0.23 0.00 -0.53 -5.01 105.19 107.58 3h14 n GLY 115 Ca 0.24 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.87 3h14 n GLY 115 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3h14 s ASP 116 N -3.05 6.41 -0.17 1.61 1.01 -0.04 -4.60 116.67 117.83 3h14 s ASP 116 Ca 0.00 2.59 -0.13 0.00 0.71 0.00 0.00 52.55 55.72 3h14 s ASP 116 Cb 0.00 -2.63 -0.05 0.00 1.01 0.00 0.00 42.92 41.25 3h14 s ASP 116 CO 0.00 -0.77 0.26 -0.13 0.21 0.00 0.00 175.17 174.74 3h14 s ARG 117 N -2.19 4.25 -0.13 8.23 0.52 -1.26 -0.56 118.95 127.81 3h14 s ARG 117 Ca 0.56 0.03 0.00 0.00 -0.52 0.00 0.00 55.73 55.80 3h14 s ARG 117 Cb -0.37 -3.43 0.02 0.00 0.52 0.00 0.00 34.95 31.70 3h14 s ARG 117 CO 0.47 0.24 -0.12 0.08 0.02 0.00 0.00 175.30 175.99 3h14 s VAL 118 N 0.46 1.39 0.05 3.52 1.01 -0.23 -0.10 120.40 126.50 3h14 s VAL 118 Ca 0.15 -0.53 -0.30 0.00 0.00 0.00 0.00 61.98 61.30 3h14 s VAL 118 Cb -0.13 -1.33 -0.05 0.00 0.00 0.00 0.00 36.38 34.88 3h14 s VAL 118 CO 0.03 0.43 1.02 -0.83 0.00 0.00 0.00 175.10 175.75 3h14 s GLY 119 N 1.47 2.84 -0.02 4.51 0.00 0.48 -1.06 107.32 115.55 3h14 s GLY 119 Ca 0.03 0.63 0.00 0.00 0.00 0.00 0.00 44.72 45.38 3h14 s GLY 119 CO -0.09 1.69 0.02 -0.26 0.00 0.00 0.00 173.10 174.47 3h14 s ILE 120 N 0.67 -0.03 0.46 0.90 -4.36 -0.51 -4.43 121.20 113.90 3h14 s ILE 120 Ca 0.52 0.15 -0.24 0.00 -0.26 0.00 0.00 60.65 60.82 3h14 s ILE 120 Cb -0.24 -0.08 -0.07 0.00 1.25 0.00 0.00 42.46 43.32 3h14 s ILE 120 CO 0.29 0.07 1.24 -0.83 0.24 0.00 0.00 174.94 175.96 3h14 s GLY 121 N 0.79 2.85 -0.15 6.27 0.00 -1.26 -0.40 107.32 115.41 3h14 s GLY 121 Ca -0.07 1.10 0.01 0.00 0.00 0.00 0.00 44.72 45.76 3h14 s GLY 121 CO -0.02 1.61 -0.15 0.00 0.00 0.00 0.00 173.10 174.54 3h14 s ALA 122 N -1.40 1.95 0.42 3.20 0.00 0.13 -3.15 121.76 122.91 3h14 s ALA 122 Ca 0.63 -0.96 -0.23 0.00 0.00 0.00 0.00 51.96 51.39 3h14 s ALA 122 Cb -0.34 -1.07 -0.08 0.00 0.00 0.00 0.00 23.12 21.63 3h14 s ALA 122 CO 0.42 -0.36 1.08 -1.25 0.00 0.00 0.00 175.76 175.65 3h14 s PRO 123 N 1.42 4.02 0.33 0.00 0.04 -1.26 -1.84 135.00 137.71 3h14 s PRO 123 Ca 0.04 1.57 -0.15 0.00 0.04 0.00 0.00 61.00 62.51 3h14 s PRO 123 Cb -0.13 -2.47 0.06 0.00 0.04 0.00 0.00 34.50 32.00 3h14 s PRO 123 CO -0.11 -0.28 0.78 0.41 0.04 0.00 0.00 177.00 177.84 3h14 n GLY 124 N 0.32 0.97 3.69 0.56 0.00 -0.72 -4.76 105.19 105.25 3h14 n GLY 124 Ca 0.06 -1.22 -0.44 0.00 0.00 0.00 0.00 46.02 44.42 3h14 n GLY 124 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3h14 n TYR 125 N -0.53 2.54 0.19 1.61 9.36 -1.01 -4.35 117.16 124.98 3h14 n TYR 125 Ca -0.07 -0.08 0.09 0.00 3.32 0.00 0.00 57.90 61.16 3h14 n TYR 125 Cb 0.55 -2.70 0.62 0.00 -0.63 0.00 0.00 39.34 37.18 3h14 n TYR 125 CO 0.00 0.00 0.00 -1.35 0.22 0.00 0.00 176.86 175.73 3h14 h PRO 126 N 8.34 0.06 0.00 2.98 0.11 -1.90 -2.61 132.00 138.98 3h14 h PRO 126 Ca -0.46 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3h14 h PRO 126 Cb 1.23 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3h14 h PRO 126 CO 0.94 0.04 0.00 0.77 -0.21 0.00 0.00 178.00 179.54 3h14 h SER 127 N 0.06 0.00 0.30 -2.05 0.02 -1.90 -3.32 113.55 106.67 3h14 h SER 127 Ca 0.05 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 3h14 h SER 127 Cb 0.13 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 3h14 h SER 127 CO -0.01 0.00 -0.32 1.88 -1.14 0.00 0.00 176.83 177.25 3h14 h TYR 128 N 0.00 -0.85 -0.43 3.45 0.05 -1.85 -0.17 116.97 117.17 3h14 h TYR 128 Ca 0.00 0.01 -0.03 0.00 0.05 0.00 0.00 58.73 58.76 3h14 h TYR 128 Cb 0.72 0.34 -0.02 0.00 1.01 0.00 0.00 36.73 38.78 3h14 h TYR 128 CO 0.00 -0.45 0.15 0.07 -1.05 0.00 0.00 178.16 176.88 3h14 h ARG 129 N -0.65 0.61 -0.08 4.88 0.11 -1.77 -1.96 114.38 115.52 3h14 h ARG 129 Ca -0.01 -0.09 -0.10 0.00 0.10 0.00 0.00 59.98 59.88 3h14 h ARG 129 Cb 0.60 -0.11 0.00 0.00 1.11 0.00 0.00 29.97 31.57 3h14 h ARG 129 CO -0.07 0.52 -0.34 1.96 0.10 0.00 0.00 179.97 182.14 3h14 h GLN 130 N 0.61 0.37 -0.55 0.08 1.08 -1.59 -2.08 115.11 113.04 3h14 h GLN 130 Ca 0.15 -0.29 -0.02 0.00 -1.45 0.00 0.00 58.65 57.03 3h14 h GLN 130 Cb 0.15 0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.62 3h14 h GLN 130 CO -0.01 0.93 0.27 0.82 -0.95 0.00 0.00 178.83 179.88 3h14 h ILE 131 N -0.09 1.20 -0.36 2.54 2.04 -0.98 0.70 117.51 122.55 3h14 h ILE 131 Ca -0.02 -0.56 0.03 0.00 1.00 0.00 0.00 64.86 65.32 3h14 h ILE 131 Cb 0.98 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 37.59 3h14 h ILE 131 CO 0.07 0.22 0.15 -0.07 0.00 0.00 0.00 178.15 178.53 3h14 h LEU 132 N 0.73 0.20 -0.53 1.44 3.38 -1.36 -2.39 115.31 116.78 3h14 h LEU 132 Ca 0.19 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.13 3h14 h LEU 132 Cb 0.11 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3h14 h LEU 132 CO -0.02 0.15 0.11 -0.09 0.09 0.00 0.00 178.44 178.68 3h14 h ARG 133 N 0.32 0.86 -0.13 1.13 2.43 -1.22 0.44 114.38 118.22 3h14 h ARG 133 Ca 0.16 -0.22 0.04 0.00 -0.81 0.00 0.00 59.98 59.15 3h14 h ARG 133 Cb 0.10 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 3h14 h ARG 133 CO -0.14 0.83 0.12 0.00 -1.51 0.00 0.00 179.97 179.27 3h14 h ALA 134 N 1.00 1.85 -0.33 2.80 0.00 -0.64 -1.35 119.26 122.59 3h14 h ALA 134 Ca 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3h14 h ALA 134 Cb 0.37 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3h14 h ALA 134 CO 0.01 -0.19 0.00 1.28 0.00 0.00 0.00 179.25 180.35 3h14 n LEU 135 N -4.04 2.63 -0.35 0.00 4.77 -0.92 -4.83 117.00 114.25 3h14 n LEU 135 Ca 0.00 -1.16 -0.04 0.00 -0.03 0.00 0.00 56.01 54.78 3h14 n LEU 135 Cb 0.24 -0.21 -0.01 0.00 -2.33 0.00 0.00 43.42 41.10 3h14 n LEU 135 CO 0.30 0.58 -0.04 0.61 -1.33 0.00 0.00 177.39 177.51 3h14 n GLY 136 N 1.32 0.60 3.97 -0.72 0.00 -0.51 -4.81 105.19 105.04 3h14 n GLY 136 Ca 0.18 -0.85 -0.21 0.00 0.00 0.00 0.00 46.02 45.15 3h14 n GLY 136 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h14 s LEU 137 N -1.01 3.22 -0.34 0.99 1.43 0.12 -1.46 118.68 121.64 3h14 s LEU 137 Ca 0.00 -0.80 0.02 0.00 -1.03 0.00 0.00 54.13 52.32 3h14 s LEU 137 Cb 0.00 -1.89 0.10 0.00 0.03 0.00 0.00 46.19 44.43 3h14 s LEU 137 CO 0.00 -1.00 0.06 -0.69 0.23 0.00 0.00 176.35 174.95 3h14 s VAL 138 N -2.57 2.48 0.27 -1.59 1.01 0.28 -3.79 120.40 116.50 3h14 s VAL 138 Ca 0.52 -2.17 -0.29 0.00 0.00 0.00 0.00 61.98 60.03 3h14 s VAL 138 Cb -0.05 -2.75 -0.09 0.00 0.00 0.00 0.00 36.38 33.48 3h14 s VAL 138 CO 0.32 -0.53 1.12 -2.16 0.00 0.00 0.00 175.10 173.84 3h14 s PRO 139 N 0.98 4.61 -0.33 2.72 0.04 -1.26 -1.07 135.00 140.70 3h14 s PRO 139 Ca 0.07 1.83 0.03 0.00 0.04 0.00 0.00 61.00 62.98 3h14 s PRO 139 Cb -0.20 -3.19 0.09 0.00 0.04 0.00 0.00 34.50 31.25 3h14 s PRO 139 CO -0.07 0.16 0.04 0.08 0.04 0.00 0.00 177.00 177.25 3h14 s VAL 140 N -1.04 2.08 0.14 -0.36 1.01 -0.22 -4.85 120.40 117.16 3h14 s VAL 140 Ca 0.45 -2.13 -0.31 0.00 0.00 0.00 0.00 61.98 59.99 3h14 s VAL 140 Cb -0.32 -2.50 -0.08 0.00 0.00 0.00 0.00 36.38 33.48 3h14 s VAL 140 CO 0.41 -0.54 1.31 -1.81 0.00 0.00 0.00 175.10 174.48 3h14 s ASP 141 N 1.02 6.91 -0.41 3.32 1.01 -1.26 -1.42 116.67 125.84 3h14 s ASP 141 Ca 0.08 2.30 -0.07 0.00 0.71 0.00 0.00 52.55 55.57 3h14 s ASP 141 Cb -0.19 -2.60 0.09 0.00 1.01 0.00 0.00 42.92 41.24 3h14 s ASP 141 CO -0.10 -0.55 0.23 -0.76 0.21 0.00 0.00 175.17 174.20 3h14 s LEU 142 N 0.53 5.14 -0.17 1.23 1.43 0.47 -4.90 118.68 122.41 3h14 s LEU 142 Ca 0.60 -1.67 -0.29 0.00 -1.03 0.00 0.00 54.13 51.74 3h14 s LEU 142 Cb -0.35 -1.93 -0.05 0.00 0.03 0.00 0.00 46.19 43.89 3h14 s LEU 142 CO 0.33 -0.54 1.99 -2.84 0.23 0.00 0.00 176.35 175.53 3h14 s PRO 143 N 1.33 3.53 0.41 1.29 0.02 -1.26 -0.69 135.00 139.62 3h14 s PRO 143 Ca 0.04 2.02 -0.03 0.00 0.02 0.00 0.00 61.00 63.06 3h14 s PRO 143 Cb -0.23 -4.24 -0.04 0.00 0.02 0.00 0.00 34.50 30.02 3h14 s PRO 143 CO -0.00 -1.64 0.67 0.95 -0.33 0.00 0.00 177.00 176.64 3h14 s THR 144 N 6.61 5.01 0.08 0.99 -4.23 -0.77 -4.92 115.64 118.41 3h14 s THR 144 Ca 0.89 -0.12 0.06 0.00 -1.18 0.00 0.00 61.69 61.35 3h14 s THR 144 Cb -0.32 -3.86 -0.04 0.00 1.34 0.00 0.00 72.50 69.62 3h14 s THR 144 CO 0.35 -0.70 -0.09 0.00 -0.54 0.00 0.00 174.62 173.65 3h14 s ALA 145 N -2.52 2.98 0.26 3.99 0.00 -1.26 -4.86 121.76 120.34 3h14 s ALA 145 Ca 0.44 -1.19 -0.02 0.00 0.00 0.00 0.00 51.96 51.18 3h14 s ALA 145 Cb -0.10 -0.95 0.46 0.00 0.00 0.00 0.00 23.12 22.53 3h14 s ALA 145 CO 0.40 0.64 1.82 -1.35 0.00 0.00 0.00 175.76 177.27 3h14 h PRO 146 N 3.79 0.86 0.00 0.00 0.11 -1.97 0.25 132.00 135.03 3h14 h PRO 146 Ca -0.49 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.57 3h14 h PRO 146 Cb 1.17 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.08 3h14 h PRO 146 CO 0.53 0.57 0.00 1.05 -0.21 0.00 0.00 178.00 179.94 3h14 h GLU 147 N 0.88 0.00 -0.66 1.05 9.09 -2.00 0.23 114.58 123.17 3h14 h GLU 147 Ca 0.44 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.85 3h14 h GLU 147 Cb 0.41 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.51 3h14 h GLU 147 CO -0.25 0.00 0.00 0.09 0.05 0.00 0.00 179.01 178.90 3h14 n ASN 148 N -2.63 4.22 -1.92 3.06 3.02 -0.00 -4.94 115.26 116.06 3h14 n ASN 148 Ca -0.01 -2.20 -0.18 0.00 -0.03 0.00 0.00 54.58 52.16 3h14 n ASN 148 Cb 0.11 -0.51 -0.02 0.00 -0.61 0.00 0.00 39.78 38.75 3h14 n ASN 148 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 3h14 n ARG 149 N 1.31 -1.38 -3.95 3.52 0.63 0.80 -2.66 116.66 114.94 3h14 n ARG 149 Ca 0.24 0.89 -0.30 0.00 -0.92 0.00 0.00 57.85 57.75 3h14 n ARG 149 Cb 0.72 -5.33 0.02 0.00 0.45 0.00 0.00 32.46 28.32 3h14 n ARG 149 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 3h14 n LEU 150 N -2.45 -2.46 -4.24 6.15 4.77 -0.73 -4.80 117.00 113.24 3h14 n LEU 150 Ca -0.20 -0.83 -0.24 0.00 -0.03 0.00 0.00 56.01 54.71 3h14 n LEU 150 Cb 0.65 -2.48 -0.13 0.00 -2.33 0.00 0.00 43.42 39.12 3h14 n LEU 150 CO 0.25 0.44 -0.51 -1.10 -1.33 0.00 0.00 177.39 175.14 3h14 s GLN 151 N -6.62 1.19 0.58 3.23 -1.52 -1.09 -4.78 119.66 110.66 3h14 s GLN 151 Ca 0.60 -0.98 -0.19 0.00 -1.95 0.00 0.00 55.36 52.83 3h14 s GLN 151 Cb -0.30 -1.33 -0.04 0.00 -0.22 0.00 0.00 33.01 31.12 3h14 s GLN 151 CO 0.85 0.33 1.22 -1.25 -0.25 0.00 0.00 175.29 176.18 3h14 s PRO 152 N -1.44 3.04 0.25 2.91 0.04 -1.26 -4.62 135.00 133.91 3h14 s PRO 152 Ca 0.06 1.86 0.11 0.00 0.04 0.00 0.00 61.00 63.07 3h14 s PRO 152 Cb -0.09 -1.99 -0.05 0.00 0.04 0.00 0.00 34.50 32.41 3h14 s PRO 152 CO 0.02 -1.16 -0.20 0.14 0.04 0.00 0.00 177.00 175.84 3h14 s VAL 153 N -1.56 2.36 0.32 -0.36 -7.23 -1.26 -4.99 120.40 107.68 3h14 s VAL 153 Ca 0.76 -2.30 0.10 0.00 -1.81 0.00 0.00 61.98 58.74 3h14 s VAL 153 Cb -0.31 -2.22 0.32 0.00 0.56 0.00 0.00 36.38 34.72 3h14 s VAL 153 CO 0.34 -0.36 1.72 -0.65 -0.31 0.00 0.00 175.10 175.85 3h14 h PRO 154 N 2.52 0.54 -0.02 4.82 0.11 -1.94 0.27 132.00 138.30 3h14 h PRO 154 Ca -0.41 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.67 3h14 h PRO 154 Cb 1.24 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 3h14 h PRO 154 CO 0.57 0.35 0.02 0.00 -0.21 0.00 0.00 178.00 178.74 3h14 h ALA 155 N 1.74 1.74 0.00 -0.75 0.00 -2.00 -1.52 119.26 118.47 3h14 h ALA 155 Ca 0.65 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.54 3h14 h ALA 155 Cb 1.28 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 3h14 h ALA 155 CO -0.48 -0.03 -0.08 -0.44 0.00 0.00 0.00 179.25 178.22 3h14 h ASP 156 N 0.00 0.00 0.00 0.00 3.32 -1.34 -3.25 116.42 115.14 3h14 h ASP 156 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3h14 h ASP 156 Cb 0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.59 3h14 h ASP 156 CO -0.00 0.08 0.00 2.22 -1.72 0.00 0.00 179.24 179.82 3h14 n PHE 157 N -3.45 0.00 0.21 4.55 1.16 -0.69 -4.74 117.46 114.50 3h14 n PHE 157 Ca -0.02 -0.23 0.15 0.00 -1.87 0.00 0.00 57.45 55.49 3h14 n PHE 157 Cb 0.23 -0.02 0.80 0.00 -1.61 0.00 0.00 39.48 38.87 3h14 n PHE 157 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3h14 h ALA 158 N 0.00 1.87 -0.34 1.98 0.00 -1.35 -1.76 119.26 119.65 3h14 h ALA 158 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3h14 h ALA 158 Cb 0.62 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3h14 h ALA 158 CO 0.00 -0.22 0.00 0.41 0.00 0.00 0.00 179.25 179.44 3h14 n GLY 159 N -1.44 1.15 3.24 0.00 0.00 -1.26 -4.94 105.19 101.94 3h14 n GLY 159 Ca 0.01 -0.59 -0.29 0.00 0.00 0.00 0.00 46.02 45.14 3h14 n GLY 159 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h14 s LEU 160 N -1.41 2.03 -0.59 0.99 1.43 -0.66 -5.08 118.68 115.38 3h14 s LEU 160 Ca 0.36 -0.45 -0.21 0.00 -1.03 0.00 0.00 54.13 52.80 3h14 s LEU 160 Cb 0.20 -1.23 0.07 0.00 0.03 0.00 0.00 46.19 45.26 3h14 s LEU 160 CO 0.28 0.24 0.83 -0.62 0.23 0.00 0.00 176.35 177.31 3h14 s ASP 161 N -0.26 6.22 -0.03 2.29 2.15 -1.26 -5.00 116.67 120.78 3h14 s ASP 161 Ca 0.01 -0.94 0.07 0.00 0.43 0.00 0.00 52.55 52.13 3h14 s ASP 161 Cb -0.12 -2.37 -0.02 0.00 -0.30 0.00 0.00 42.92 40.12 3h14 s ASP 161 CO 0.02 -1.21 -0.26 -0.76 -0.17 0.00 0.00 175.17 172.79 3h14 s LEU 162 N 3.43 2.06 0.12 -1.34 1.43 -1.26 -4.74 118.68 118.39 3h14 s LEU 162 Ca 0.20 -0.48 0.12 0.00 -1.03 0.00 0.00 54.13 52.94 3h14 s LEU 162 Cb -0.18 -1.35 -0.13 0.00 0.03 0.00 0.00 46.19 44.56 3h14 s LEU 162 CO 0.12 0.30 1.15 0.00 0.23 0.00 0.00 176.35 178.14 3h14 h ALA 163 N 5.64 0.56 -2.70 4.21 0.00 -0.79 -3.32 119.26 122.85 3h14 h ALA 163 Ca -0.40 -0.88 -0.07 0.00 0.00 0.00 0.00 54.91 53.56 3h14 h ALA 163 Cb 1.13 0.04 -0.12 0.00 0.00 0.00 0.00 17.79 18.84 3h14 h ALA 163 CO 0.47 1.10 -0.18 0.20 0.00 0.00 0.00 179.25 180.84 3h14 s GLY 164 N -4.73 0.05 0.18 0.00 0.00 -1.07 -0.48 107.32 101.27 3h14 s GLY 164 Ca 0.00 -0.44 0.03 0.00 0.00 0.00 0.00 44.72 44.31 3h14 s GLY 164 CO 0.80 -0.55 0.10 -0.10 0.00 0.00 0.00 173.10 173.35 3h14 n LEU 165 N -0.21 0.00 0.00 0.66 7.94 -0.12 -0.39 117.00 124.88 3h14 n LEU 165 Ca -0.12 -1.50 0.00 0.00 -1.11 0.00 0.00 56.01 53.28 3h14 n LEU 165 Cb 0.63 0.65 0.00 0.00 0.53 0.00 0.00 43.42 45.23 3h14 n LEU 165 CO 0.20 -0.24 0.00 1.33 -1.11 0.00 0.00 177.39 177.57 3h14 n VAL 167 N -0.37 0.00 -4.53 1.96 0.24 -0.66 -0.87 118.33 114.11 3h14 n VAL 167 Ca 0.01 0.00 -0.23 0.00 -2.04 0.00 0.00 64.34 62.07 3h14 n VAL 167 Cb 0.29 0.00 -0.16 0.00 -1.47 0.00 0.00 33.84 32.50 3h14 n VAL 167 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3h14 s ALA 168 N -2.00 1.12 -0.23 2.33 0.00 -1.26 -0.37 121.76 121.36 3h14 s ALA 168 Ca 0.00 -0.40 -0.07 0.00 0.00 0.00 0.00 51.96 51.49 3h14 s ALA 168 Cb 0.00 -0.46 0.11 0.00 0.00 0.00 0.00 23.12 22.76 3h14 s ALA 168 CO 0.00 0.14 0.48 0.45 0.00 0.00 0.00 175.76 176.83 3h14 s SER 169 N 0.43 -0.46 0.42 0.00 0.15 -1.07 -3.65 113.70 109.50 3h14 s SER 169 Ca -0.09 1.08 -0.26 0.00 0.70 0.00 0.00 55.95 57.38 3h14 s SER 169 Cb -0.13 1.58 -0.10 0.00 -1.71 0.00 0.00 66.02 65.67 3h14 s SER 169 CO 0.02 -0.23 1.35 -2.65 1.20 0.00 0.00 173.24 172.93 3h14 n PRO 170 N 5.40 2.13 -3.43 5.44 -0.02 -1.26 -4.61 135.00 138.66 3h14 n PRO 170 Ca -0.09 0.76 -0.34 0.00 -2.02 0.00 0.00 63.50 61.81 3h14 n PRO 170 Cb 0.49 -2.49 -0.05 0.00 -0.02 0.00 0.00 33.50 31.43 3h14 n PRO 170 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h14 s ALA 171 N -1.18 3.61 -0.22 3.55 0.00 -0.51 -4.57 121.76 122.44 3h14 s ALA 171 Ca 0.60 -0.25 -0.11 0.00 0.00 0.00 0.00 51.96 52.20 3h14 s ALA 171 Cb -0.49 -2.43 -0.05 0.00 0.00 0.00 0.00 23.12 20.15 3h14 s ALA 171 CO 0.59 0.51 0.18 1.21 0.00 0.00 0.00 175.76 178.24 3h14 s ASN 172 N -2.02 6.19 0.00 0.00 3.84 -1.26 -0.10 114.94 121.59 3h14 s ASN 172 Ca 0.41 0.21 0.21 0.00 0.21 0.00 0.00 52.86 53.90 3h14 s ASN 172 Cb -0.13 -2.12 0.43 0.00 -0.55 0.00 0.00 41.25 38.88 3h14 s ASN 172 CO 0.20 0.09 1.37 -0.81 -2.79 0.00 0.00 177.10 175.16 3h14 n PRO 173 N 4.01 2.46 -0.03 0.43 -0.04 -1.26 -2.40 135.00 138.17 3h14 n PRO 173 Ca -0.15 -2.26 -0.03 0.00 -0.04 0.00 0.00 63.50 61.03 3h14 n PRO 173 Cb 0.52 -1.47 -0.13 0.00 -0.04 0.00 0.00 33.50 32.38 3h14 n PRO 173 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3h14 n THR 174 N 1.34 1.11 -0.88 0.52 -2.24 -1.16 -4.02 114.28 108.95 3h14 n THR 174 Ca 0.18 -0.73 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 3h14 n THR 174 Cb 0.56 -0.56 0.00 0.00 -2.10 0.00 0.00 70.33 68.24 3h14 n THR 174 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h14 n GLY 175 N 1.51 0.71 1.52 3.38 0.00 0.86 -4.33 105.19 108.83 3h14 n GLY 175 Ca -0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.72 3h14 n GLY 175 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3h14 n THR 176 N -2.07 0.00 -3.67 2.61 -2.24 -1.25 -0.67 114.28 106.99 3h14 n THR 176 Ca 0.00 -0.25 -0.17 0.00 -2.27 0.00 0.00 64.05 61.36 3h14 n THR 176 Cb 0.01 -1.24 -0.16 0.00 -2.10 0.00 0.00 70.33 66.84 3h14 n THR 176 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3h14 s LEU 178 N 0.00 -0.02 0.94 3.22 1.43 -1.26 -1.43 118.68 121.57 3h14 s LEU 178 Ca 0.30 0.28 -0.15 0.00 -1.03 0.00 0.00 54.13 53.53 3h14 s LEU 178 Cb -0.03 0.18 0.17 0.00 0.03 0.00 0.00 46.19 46.55 3h14 s LEU 178 CO 0.23 -0.24 1.25 1.51 0.23 0.00 0.00 176.35 179.32 3h14 s ASP 179 N 2.25 3.31 0.25 2.29 1.47 -1.26 -4.37 116.67 120.61 3h14 s ASP 179 Ca 0.03 0.50 -0.03 0.00 1.18 0.00 0.00 52.55 54.23 3h14 s ASP 179 Cb -0.12 -0.73 0.47 0.00 -0.34 0.00 0.00 42.92 42.20 3h14 s ASP 179 CO -0.05 -2.63 1.76 -0.74 0.68 0.00 0.00 175.17 174.19 3h14 h HIS 180 N -1.56 0.68 -0.38 2.11 -0.00 -1.96 -2.46 115.15 111.58 3h14 h HIS 180 Ca -0.45 0.03 -0.05 0.00 -0.00 0.00 0.00 60.37 59.89 3h14 h HIS 180 Cb 1.27 -0.18 -0.01 0.00 -0.00 0.00 0.00 27.41 28.49 3h14 h HIS 180 CO -0.72 0.17 0.02 0.00 -0.00 0.00 0.00 177.93 177.39 3h14 h ALA 181 N 1.53 0.51 0.00 5.26 0.00 -2.05 -0.67 119.26 123.83 3h14 h ALA 181 Ca 0.43 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3h14 h ALA 181 Cb 0.58 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3h14 h ALA 181 CO -0.35 0.26 0.00 0.00 0.00 0.00 0.00 179.25 179.16 3h14 n ALA 182 N -2.38 1.48 0.00 0.00 0.00 -0.93 -1.71 120.51 116.97 3h14 n ALA 182 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3h14 n ALA 182 Cb 0.26 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.71 3h14 n ALA 182 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h14 n GLY 184 N 0.36 0.00 0.22 0.00 0.00 -0.26 -2.10 105.19 103.41 3h14 n GLY 184 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 3h14 n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h14 h ALA 185 N 0.00 0.59 -0.20 4.61 0.00 -1.59 0.57 119.26 123.24 3h14 h ALA 185 Ca 0.00 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 3h14 h ALA 185 Cb 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3h14 h ALA 185 CO 0.00 0.22 0.11 -0.07 0.00 0.00 0.00 179.25 179.51 3h14 h LEU 186 N 0.59 0.25 -0.35 0.00 3.38 -1.69 -1.30 115.31 116.19 3h14 h LEU 186 Ca 0.15 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3h14 h LEU 186 Cb 0.23 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 3h14 h LEU 186 CO -0.01 0.27 0.16 0.40 0.09 0.00 0.00 178.44 179.35 3h14 h ILE 187 N 0.22 1.17 -0.52 1.22 2.04 -1.78 0.03 117.51 119.89 3h14 h ILE 187 Ca 0.07 -0.49 0.03 0.00 1.00 0.00 0.00 64.86 65.47 3h14 h ILE 187 Cb 0.07 0.85 -0.04 0.00 -0.74 0.00 0.00 36.82 36.97 3h14 h ILE 187 CO -0.01 0.18 0.30 -0.33 0.00 0.00 0.00 178.15 178.29 3h14 h GLU 188 N 0.42 0.57 -0.30 2.37 5.08 -0.81 -0.82 114.58 121.10 3h14 h GLU 188 Ca 0.12 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.39 3h14 h GLU 188 Cb 0.13 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3h14 h GLU 188 CO -0.01 0.38 -0.05 0.00 -1.00 0.00 0.00 179.01 178.33 3h14 h ALA 189 N 1.25 0.40 0.00 3.43 0.00 -1.04 -1.43 119.26 121.87 3h14 h ALA 189 Ca 0.22 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.88 3h14 h ALA 189 Cb 0.06 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3h14 h ALA 189 CO -0.11 0.20 -0.16 0.00 0.00 0.00 0.00 179.25 179.18 3h14 h ALA 190 N 0.80 -0.19 -0.85 0.00 0.00 -0.84 -2.92 119.26 115.25 3h14 h ALA 190 Ca 0.08 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.00 3h14 h ALA 190 Cb 0.52 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 3h14 h ALA 190 CO 0.02 -0.65 0.57 1.96 0.00 0.00 0.00 179.25 181.15 3h14 h GLN 191 N -0.26 1.12 0.00 0.00 4.20 -1.02 -1.43 115.11 117.72 3h14 h GLN 191 Ca 0.05 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.68 3h14 h GLN 191 Cb 0.32 -0.25 -0.00 0.00 0.30 0.00 0.00 27.48 27.85 3h14 h GLN 191 CO -0.15 0.74 -0.08 0.00 -0.67 0.00 0.00 178.83 178.67 3h14 h ALA 192 N 1.47 1.02 -0.20 3.87 0.00 -1.14 -2.90 119.26 121.38 3h14 h ALA 192 Ca 0.31 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3h14 h ALA 192 Cb -0.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3h14 h ALA 192 CO -0.07 0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.28 3h14 n GLN 193 N -3.22 2.62 -1.01 0.00 10.64 -0.91 -4.99 117.38 120.51 3h14 n GLN 193 Ca 0.00 -2.43 -0.00 0.00 -1.83 0.00 0.00 57.00 52.74 3h14 n GLN 193 Cb 0.35 -1.53 -0.00 0.00 -0.86 0.00 0.00 30.24 28.20 3h14 n GLN 193 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3h14 n GLY 194 N -0.41 0.46 3.61 2.61 0.00 -0.87 -4.80 105.19 105.78 3h14 n GLY 194 Ca 0.15 -0.59 -0.41 0.00 0.00 0.00 0.00 46.02 45.17 3h14 n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h14 s ALA 195 N -2.00 3.54 0.16 4.61 0.00 -0.59 -4.72 121.76 122.76 3h14 s ALA 195 Ca 0.00 -0.50 -0.31 0.00 0.00 0.00 0.00 51.96 51.15 3h14 s ALA 195 Cb 0.00 -3.20 -0.09 0.00 0.00 0.00 0.00 23.12 19.83 3h14 s ALA 195 CO 0.00 -1.12 1.40 -1.12 0.00 0.00 0.00 175.76 174.92 3h14 s SER 196 N 1.61 6.79 -0.23 0.00 0.01 0.37 -4.19 113.70 118.05 3h14 s SER 196 Ca 0.29 2.43 -0.14 0.00 1.31 0.00 0.00 55.95 59.84 3h14 s SER 196 Cb -0.15 -2.60 -0.04 0.00 0.21 0.00 0.00 66.02 63.44 3h14 s SER 196 CO 0.12 -0.65 0.33 0.12 0.41 0.00 0.00 173.24 173.57 3h14 s PHE 197 N 0.69 3.33 -0.15 2.43 5.36 -1.26 -0.94 117.98 127.43 3h14 s PHE 197 Ca 0.62 0.47 0.02 0.00 -0.96 0.00 0.00 56.93 57.08 3h14 s PHE 197 Cb -0.38 -2.47 0.02 0.00 -0.34 0.00 0.00 43.02 39.84 3h14 s PHE 197 CO 0.34 -0.04 -0.20 0.42 -1.46 0.00 0.00 175.22 174.28 3h14 s ILE 198 N 1.42 1.94 -0.29 3.12 1.01 -0.05 -1.73 121.20 126.63 3h14 s ILE 198 Ca 0.15 -0.89 -0.08 0.00 0.00 0.00 0.00 60.65 59.83 3h14 s ILE 198 Cb -0.15 -1.75 -0.00 0.00 0.01 0.00 0.00 42.46 40.58 3h14 s ILE 198 CO 0.08 0.52 0.10 -0.55 0.00 0.00 0.00 174.94 175.09 3h14 s SER 199 N 1.08 5.25 -0.42 3.58 0.15 -0.14 -1.65 113.70 121.55 3h14 s SER 199 Ca -0.01 -0.55 -0.21 0.00 0.70 0.00 0.00 55.95 55.87 3h14 s SER 199 Cb -0.14 -1.92 0.02 0.00 -1.71 0.00 0.00 66.02 62.26 3h14 s SER 199 CO -0.07 -0.16 0.67 -0.62 1.20 0.00 0.00 173.24 174.26 3h14 s ASP 200 N 1.56 6.36 -0.16 5.45 -1.08 0.50 -0.86 116.67 128.44 3h14 s ASP 200 Ca 0.04 -0.19 0.17 0.00 -0.52 0.00 0.00 52.55 52.05 3h14 s ASP 200 Cb -0.17 -2.33 0.36 0.00 -1.46 0.00 0.00 42.92 39.32 3h14 s ASP 200 CO 0.04 -0.77 1.22 -0.62 0.52 0.00 0.00 175.17 175.56 3h14 n GLU 201 N 6.31 1.58 -0.09 4.34 1.02 -0.33 -2.61 120.64 130.87 3h14 n GLU 201 Ca -0.01 -2.80 0.12 0.00 -0.02 0.00 0.00 57.16 54.45 3h14 n GLU 201 Cb 0.48 -1.59 0.49 0.00 -0.02 0.00 0.00 31.44 30.81 3h14 n GLU 201 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3h14 h ILE 202 N 0.49 0.90 -0.11 -3.67 2.04 -1.86 -1.34 117.51 113.97 3h14 h ILE 202 Ca 0.01 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.73 3h14 h ILE 202 Cb 1.09 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 37.62 3h14 h ILE 202 CO 0.05 0.08 0.00 -1.22 0.00 0.00 0.00 178.15 177.06 3h14 n TYR 203 N -4.47 0.12 -1.57 1.37 4.01 -1.26 -4.61 117.16 110.75 3h14 n TYR 203 Ca 0.10 -0.06 -0.45 0.00 -0.16 0.00 0.00 57.90 57.32 3h14 n TYR 203 Cb 0.36 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.37 3h14 n TYR 203 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 3h14 n HIS 204 N 0.74 1.13 0.00 -0.72 8.25 -0.51 -1.63 115.22 122.48 3h14 n HIS 204 Ca 0.17 0.72 0.00 0.00 -0.26 0.00 0.00 57.72 58.35 3h14 n HIS 204 Cb 0.46 -2.23 0.00 0.00 1.12 0.00 0.00 29.99 29.34 3h14 n HIS 204 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3h14 n GLY 205 N 1.40 3.05 3.44 -1.41 0.00 -1.26 -4.59 105.19 105.82 3h14 n GLY 205 Ca 0.11 -0.82 -0.44 0.00 0.00 0.00 0.00 46.02 44.87 3h14 n GLY 205 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h14 s ILE 206 N -1.05 5.20 0.02 -0.61 1.01 -0.65 -4.95 121.20 120.18 3h14 s ILE 206 Ca 0.00 -2.71 0.00 0.00 0.00 0.00 0.00 60.65 57.95 3h14 s ILE 206 Cb 0.00 -4.84 -0.02 0.00 0.01 0.00 0.00 42.46 37.62 3h14 s ILE 206 CO 0.00 -1.52 -0.03 -1.61 0.00 0.00 0.00 174.94 171.78 3h14 s GLU 207 N 1.10 0.27 0.00 2.79 2.02 -1.26 -0.68 118.70 122.94 3h14 s GLU 207 Ca 0.39 -0.47 0.00 0.00 0.02 0.00 0.00 54.97 54.91 3h14 s GLU 207 Cb -0.04 0.01 0.00 0.00 0.10 0.00 0.00 34.13 34.19 3h14 s GLU 207 CO -0.02 -0.02 0.00 0.66 0.02 0.00 0.00 175.26 175.90 3h14 n TYR 208 N 1.99 0.00 -0.08 1.61 4.02 -1.25 -4.98 117.16 118.46 3h14 n TYR 208 Ca -0.21 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.59 3h14 n TYR 208 Cb 0.56 0.00 -0.12 0.00 -0.02 0.00 0.00 39.34 39.77 3h14 n TYR 208 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 176.86 175.00 3h14 n GLU 209 N -0.24 1.16 -2.52 -0.72 0.00 -1.26 -4.95 120.64 112.11 3h14 n GLU 209 Ca 0.00 0.03 -0.41 0.00 0.00 0.00 0.00 57.16 56.77 3h14 n GLU 209 Cb 0.00 -1.41 -0.04 0.00 0.00 0.00 0.00 31.44 30.00 3h14 n GLU 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3h14 s ALA 210 N -2.39 3.35 -0.04 -1.84 0.00 -1.26 -5.03 121.76 114.55 3h14 s ALA 210 Ca -0.13 0.78 -0.26 0.00 0.00 0.00 0.00 51.96 52.35 3h14 s ALA 210 Cb 0.05 -3.38 -0.04 0.00 0.00 0.00 0.00 23.12 19.76 3h14 s ALA 210 CO 0.60 -0.28 0.79 0.21 0.00 0.00 0.00 175.76 177.08 3h14 s LYS 211 N 0.27 4.48 0.43 0.00 2.47 -1.26 -4.90 119.74 121.23 3h14 s LYS 211 Ca 0.53 1.06 -0.25 0.00 -1.56 0.00 0.00 55.97 55.75 3h14 s LYS 211 Cb -0.28 -3.45 -0.08 0.00 -1.46 0.00 0.00 37.83 32.56 3h14 s LYS 211 CO 0.32 0.04 1.25 0.00 0.16 0.00 0.00 175.35 177.12 3h14 s ALA 212 N 0.81 3.14 -0.25 3.13 0.00 -1.26 -4.92 121.76 122.41 3h14 s ALA 212 Ca 0.42 1.11 -0.02 0.00 0.00 0.00 0.00 51.96 53.48 3h14 s ALA 212 Cb -0.19 -3.45 0.03 0.00 0.00 0.00 0.00 23.12 19.51 3h14 s ALA 212 CO 0.22 -0.76 -0.05 0.08 0.00 0.00 0.00 175.76 175.24 3h14 s VAL 213 N -1.36 2.93 0.29 0.00 1.01 -1.26 -5.03 120.40 116.97 3h14 s VAL 213 Ca 0.59 -1.02 -0.29 0.00 0.00 0.00 0.00 61.98 61.27 3h14 s VAL 213 Cb -0.34 -2.49 -0.10 0.00 0.00 0.00 0.00 36.38 33.45 3h14 s VAL 213 CO 0.43 0.19 1.15 0.28 0.00 0.00 0.00 175.10 177.15 3h14 s THR 214 N 1.33 3.32 0.59 3.92 -1.32 -1.26 -4.90 115.64 117.31 3h14 s THR 214 Ca 0.00 1.31 0.28 0.00 -1.21 0.00 0.00 61.69 62.08 3h14 s THR 214 Cb -0.17 -3.83 0.37 0.00 -1.51 0.00 0.00 72.50 67.35 3h14 s THR 214 CO -0.04 0.31 2.04 0.00 -2.21 0.00 0.00 174.62 174.72 3h14 h ALA 215 N 3.81 1.94 0.00 11.08 0.00 -1.96 -1.34 119.26 132.79 3h14 h ALA 215 Ca -0.47 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 3h14 h ALA 215 Cb 1.21 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 3h14 h ALA 215 CO 0.67 -0.42 -0.01 -0.07 0.00 0.00 0.00 179.25 179.42 3h14 h LEU 216 N 0.00 0.00 -0.62 0.00 3.38 -1.91 -1.00 115.31 115.16 3h14 h LEU 216 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3h14 h LEU 216 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 3h14 h LEU 216 CO -0.00 0.01 0.00 -0.62 0.09 0.00 0.00 178.44 177.92 3h14 n GLU 217 N -3.34 0.21 -0.01 1.13 1.02 -0.51 -3.94 120.64 115.20 3h14 n GLU 217 Ca -0.03 0.40 -0.02 0.00 -0.02 0.00 0.00 57.16 57.50 3h14 n GLU 217 Cb 0.10 -1.87 -0.02 0.00 -0.02 0.00 0.00 31.44 29.63 3h14 n GLU 217 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3h14 n LEU 218 N -2.27 0.60 -3.58 -4.62 4.77 -0.60 -5.09 117.00 106.21 3h14 n LEU 218 Ca 0.03 -0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.88 3h14 n LEU 218 Cb 0.26 0.03 -0.05 0.00 -2.33 0.00 0.00 43.42 41.34 3h14 n LEU 218 CO 0.21 0.17 0.24 0.28 -1.33 0.00 0.00 177.39 176.96 3h14 s THR 219 N -2.07 0.04 -0.61 -5.08 -1.32 -0.48 -5.01 115.64 101.11 3h14 s THR 219 Ca -0.02 -0.35 0.22 0.00 -1.21 0.00 0.00 61.69 60.33 3h14 s THR 219 Cb 0.01 -1.04 -0.19 0.00 -1.51 0.00 0.00 72.50 69.77 3h14 s THR 219 CO 0.11 -0.19 0.89 0.47 -2.21 0.00 0.00 174.62 173.69 3h14 n ASP 220 N 0.07 0.60 -3.79 8.08 8.00 -1.26 -3.83 116.55 124.42 3h14 n ASP 220 Ca -0.17 -0.39 -0.42 0.00 0.71 0.00 0.00 54.79 54.52 3h14 n ASP 220 Cb 0.62 1.08 0.00 0.00 -0.02 0.00 0.00 41.12 42.80 3h14 n ASP 220 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3h14 n GLU 221 N -1.88 3.42 -3.45 -1.24 -0.58 -1.26 -4.03 120.64 111.63 3h14 n GLU 221 Ca 0.01 -3.19 -0.12 0.00 -0.42 0.00 0.00 57.16 53.45 3h14 n GLU 221 Cb 0.43 -3.02 -0.02 0.00 -0.57 0.00 0.00 31.44 28.25 3h14 n GLU 221 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3h14 s TYR 223 N -3.33 3.33 -0.14 0.00 1.51 -0.70 -4.15 117.35 113.87 3h14 s TYR 223 Ca 0.01 0.21 -0.04 0.00 -1.01 0.00 0.00 57.07 56.23 3h14 s TYR 223 Cb -0.01 -2.14 -0.03 0.00 -0.11 0.00 0.00 41.96 39.67 3h14 s TYR 223 CO -0.10 0.21 0.01 0.08 -1.11 0.00 0.00 175.55 174.64 3h14 s VAL 224 N 0.44 4.30 -0.12 0.71 1.01 -0.21 -0.96 120.40 125.57 3h14 s VAL 224 Ca 0.06 -0.22 0.01 0.00 0.00 0.00 0.00 61.98 61.83 3h14 s VAL 224 Cb -0.12 -2.88 -0.01 0.00 0.00 0.00 0.00 36.38 33.37 3h14 s VAL 224 CO -0.01 0.52 -0.16 -0.63 0.00 0.00 0.00 175.10 174.82 3h14 s ILE 225 N -0.03 2.77 0.33 2.22 -1.09 -0.04 -1.22 121.20 124.13 3h14 s ILE 225 Ca 0.03 -0.77 0.02 0.00 -2.23 0.00 0.00 60.65 57.71 3h14 s ILE 225 Cb -0.13 -2.13 -0.02 0.00 -1.58 0.00 0.00 42.46 38.60 3h14 s ILE 225 CO 0.02 0.54 0.35 0.21 -1.23 0.00 0.00 174.94 174.83 3h14 s ASN 226 N 0.30 1.24 0.08 3.58 3.84 0.03 -1.18 114.94 122.81 3h14 s ASN 226 Ca -0.12 -1.61 -0.23 0.00 0.21 0.00 0.00 52.86 51.11 3h14 s ASN 226 Cb -0.16 0.59 0.06 0.00 -0.55 0.00 0.00 41.25 41.18 3h14 s ASN 226 CO 0.06 -1.15 0.55 -0.55 -2.79 0.00 0.00 177.10 173.22 3h14 s SER 227 N -3.30 -0.48 0.00 -4.21 0.15 -1.26 -2.59 113.70 102.01 3h14 s SER 227 Ca 0.36 0.12 0.16 0.00 0.70 0.00 0.00 55.95 57.29 3h14 s SER 227 Cb 0.02 0.53 0.46 0.00 -1.71 0.00 0.00 66.02 65.31 3h14 s SER 227 CO 0.23 -0.80 1.37 0.49 1.20 0.00 0.00 173.24 175.74 3h14 n PHE 228 N 0.15 0.58 0.34 3.44 3.72 -1.05 -4.52 117.46 120.12 3h14 n PHE 228 Ca -0.18 -0.29 0.12 0.00 -0.05 0.00 0.00 57.45 57.06 3h14 n PHE 228 Cb 0.62 0.00 0.26 0.00 -0.94 0.00 0.00 39.48 39.42 3h14 n PHE 228 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3h14 h SER 229 N 2.80 0.00 0.00 4.37 4.64 -1.91 -2.70 113.55 120.75 3h14 h SER 229 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3h14 h SER 229 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 3h14 h SER 229 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 3h14 n LYS 230 N -2.85 0.00 -0.35 4.77 4.76 -1.26 -3.28 118.16 119.95 3h14 n LYS 230 Ca 0.04 0.00 0.07 0.00 -2.87 0.00 0.00 58.31 55.55 3h14 n LYS 230 Cb 0.49 0.00 0.24 0.00 -1.84 0.00 0.00 35.03 33.92 3h14 n LYS 230 CO 0.00 0.00 0.00 -0.92 -1.37 0.00 0.00 177.40 175.11 3h14 h TYR 231 N 0.00 1.11 -0.00 2.13 3.20 -1.81 -1.58 116.97 120.02 3h14 h TYR 231 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 3h14 h TYR 231 Cb 0.00 -0.36 0.00 0.00 1.54 0.00 0.00 36.73 37.91 3h14 h TYR 231 CO 0.00 0.48 -0.06 1.19 -1.64 0.00 0.00 178.16 178.13 3h14 n PHE 232 N -4.58 0.00 -2.55 -3.82 3.72 -1.25 -4.90 117.46 104.08 3h14 n PHE 232 Ca 0.18 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.57 3h14 n PHE 232 Cb 0.32 -0.25 -0.01 0.00 -0.94 0.00 0.00 39.48 38.61 3h14 n PHE 232 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3h14 n SER 233 N -1.16 -6.26 0.00 4.37 2.88 -0.59 -4.47 113.62 108.39 3h14 n SER 233 Ca 0.14 1.26 0.00 0.00 -1.33 0.00 0.00 58.87 58.94 3h14 n SER 233 Cb 0.26 -4.82 0.00 0.00 -0.75 0.00 0.00 64.21 58.90 3h14 n SER 233 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 3h14 n THR 235 N 0.76 0.00 0.00 2.46 -1.04 -1.20 -2.00 114.28 113.25 3h14 n THR 235 Ca -0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 3h14 n THR 235 Cb 0.09 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.60 3h14 n THR 235 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3h14 n GLY 236 N 0.60 1.64 0.03 3.41 0.00 -1.26 -4.91 105.19 104.70 3h14 n GLY 236 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 3h14 n GLY 236 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3h14 n TRP 237 N -1.96 0.00 -3.59 1.61 7.02 -1.26 -4.99 117.44 114.28 3h14 n TRP 237 Ca 0.00 0.00 -0.23 0.00 -1.02 0.00 0.00 57.50 56.25 3h14 n TRP 237 Cb 0.00 -0.20 0.05 0.00 -2.42 0.00 0.00 31.31 28.74 3h14 n TRP 237 CO 0.00 0.00 0.00 2.89 -2.02 0.00 0.00 177.69 178.56 3h14 n ARG 238 N -1.41 -3.19 -3.85 -0.99 0.00 -1.26 -4.74 116.66 101.23 3h14 n ARG 238 Ca 0.06 0.63 -0.12 0.00 -0.00 0.00 0.00 57.85 58.41 3h14 n ARG 238 Cb 0.34 -5.01 -0.14 0.00 -0.00 0.00 0.00 32.46 27.65 3h14 n ARG 238 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3h14 s VAL 239 N -3.54 -0.00 0.00 8.89 0.11 -1.24 -3.84 120.40 120.77 3h14 s VAL 239 Ca 0.25 0.01 0.00 0.00 -2.93 0.00 0.00 61.98 59.31 3h14 s VAL 239 Cb -0.07 -0.09 0.00 0.00 -1.53 0.00 0.00 36.38 34.69 3h14 s VAL 239 CO 0.81 0.01 0.00 0.61 -3.33 0.00 0.00 175.10 173.19 3h14 n GLY 240 N 3.12 2.39 0.00 6.54 0.00 0.22 -2.53 105.19 114.94 3h14 n GLY 240 Ca -0.13 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.07 3h14 n GLY 240 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 3h14 n TRP 241 N 0.00 -0.00 -3.73 1.61 2.14 -1.07 -0.55 117.44 115.84 3h14 n TRP 241 Ca 0.00 0.00 -0.12 0.00 2.07 0.00 0.00 57.50 59.45 3h14 n TRP 241 Cb 0.00 0.00 -0.13 0.00 -0.81 0.00 0.00 31.31 30.37 3h14 n TRP 241 CO 0.00 0.00 0.00 0.08 2.07 0.00 0.00 177.69 179.84 3h14 s VAL 243 N -2.38 -0.04 0.19 -1.67 1.01 -0.36 -0.79 120.40 116.36 3h14 s VAL 243 Ca 0.00 0.14 0.07 0.00 0.00 0.00 0.00 61.98 62.19 3h14 s VAL 243 Cb 0.00 -0.37 -0.05 0.00 0.00 0.00 0.00 36.38 35.96 3h14 s VAL 243 CO 0.00 0.06 -0.13 0.68 0.00 0.00 0.00 175.10 175.71 3h14 s VAL 244 N 1.19 1.57 0.80 2.92 -7.23 -1.03 -1.04 120.40 117.58 3h14 s VAL 244 Ca -0.09 -2.17 -0.14 0.00 -1.81 0.00 0.00 61.98 57.77 3h14 s VAL 244 Cb -0.10 -2.01 0.03 0.00 0.56 0.00 0.00 36.38 34.87 3h14 s VAL 244 CO -0.08 -0.63 0.85 -2.65 -0.31 0.00 0.00 175.10 172.29 3h14 n PRO 245 N -0.34 0.18 -0.26 4.82 -0.02 -1.26 -4.77 135.00 133.35 3h14 n PRO 245 Ca -0.08 0.12 0.07 0.00 -2.02 0.00 0.00 63.50 61.58 3h14 n PRO 245 Cb 0.61 -2.14 0.19 0.00 -0.02 0.00 0.00 33.50 32.14 3h14 n PRO 245 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3h14 h GLU 246 N -0.79 0.23 0.00 -0.52 4.81 -1.96 0.01 114.58 116.36 3h14 h GLU 246 Ca -0.46 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 3h14 h GLU 246 Cb 1.31 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.64 3h14 h GLU 246 CO 0.43 0.15 0.00 -0.40 -0.73 0.00 0.00 179.01 178.46 3h14 n ASP 247 N -5.19 0.00 -0.01 1.04 5.68 -1.26 -3.18 116.55 113.63 3h14 n ASP 247 Ca 0.15 -0.16 0.09 0.00 -0.50 0.00 0.00 54.79 54.37 3h14 n ASP 247 Cb 0.50 -0.23 -0.14 0.00 -1.14 0.00 0.00 41.12 40.11 3h14 n ASP 247 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3h14 n GLN 248 N -1.23 0.65 -0.15 0.11 1.13 -0.03 -4.57 117.38 113.30 3h14 n GLN 248 Ca 0.12 -0.12 -0.03 0.00 -1.94 0.00 0.00 57.00 55.02 3h14 n GLN 248 Cb 0.16 -1.44 0.03 0.00 0.11 0.00 0.00 30.24 29.10 3h14 n GLN 248 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 3h14 h VAL 249 N 0.00 0.55 -0.34 5.09 2.07 -1.48 -1.71 116.25 120.44 3h14 h VAL 249 Ca 0.00 -0.01 -0.10 0.00 0.82 0.00 0.00 66.70 67.41 3h14 h VAL 249 Cb 0.75 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 3h14 h VAL 249 CO 0.00 0.00 -0.21 -0.09 0.02 0.00 0.00 177.57 177.29 3h14 h ARG 250 N 0.02 0.65 -0.23 1.57 2.43 -1.80 0.95 114.38 117.96 3h14 h ARG 250 Ca 0.23 -0.24 0.04 0.00 -0.81 0.00 0.00 59.98 59.19 3h14 h ARG 250 Cb 0.35 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.82 3h14 h ARG 250 CO -0.46 0.81 0.00 0.28 -1.51 0.00 0.00 179.97 179.09 3h14 h VAL 251 N 0.57 0.84 -0.34 0.20 2.07 -1.67 -1.65 116.25 116.28 3h14 h VAL 251 Ca 0.09 -0.03 -0.05 0.00 0.82 0.00 0.00 66.70 67.53 3h14 h VAL 251 Cb 0.67 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 3h14 h VAL 251 CO 0.05 0.01 0.01 0.58 0.02 0.00 0.00 177.57 178.25 3h14 h VAL 252 N 0.08 1.25 -0.57 2.57 2.07 -0.92 -2.74 116.25 117.99 3h14 h VAL 252 Ca 0.11 -0.93 0.05 0.00 0.82 0.00 0.00 66.70 66.74 3h14 h VAL 252 Cb 0.14 1.20 -0.05 0.00 -1.52 0.00 0.00 31.29 31.06 3h14 h VAL 252 CO -0.18 0.31 0.30 -0.08 0.02 0.00 0.00 177.57 177.94 3h14 h GLU 253 N 0.40 0.56 -0.53 1.57 4.81 -0.70 0.16 114.58 120.84 3h14 h GLU 253 Ca 0.10 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.19 3h14 h GLU 253 Cb 0.43 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 3h14 h GLU 253 CO 0.01 0.37 -0.07 0.00 -0.73 0.00 0.00 179.01 178.60 3h14 h ARG 254 N 0.58 0.96 -0.10 1.92 3.08 -1.25 0.10 114.38 119.67 3h14 h ARG 254 Ca 0.25 -0.32 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 3h14 h ARG 254 Cb 0.15 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.12 3h14 h ARG 254 CO -0.17 0.99 0.05 0.82 -1.07 0.00 0.00 179.97 180.59 3h14 h ILE 255 N 0.87 1.12 -0.83 2.04 2.04 -1.11 0.26 117.51 121.89 3h14 h ILE 255 Ca 0.15 -0.34 -0.02 0.00 1.00 0.00 0.00 64.86 65.64 3h14 h ILE 255 Cb 0.60 1.16 -0.04 0.00 -0.74 0.00 0.00 36.82 37.80 3h14 h ILE 255 CO 0.04 0.10 0.44 0.00 0.00 0.00 0.00 178.15 178.74 3h14 h ALA 256 N 0.92 1.22 0.62 1.87 0.00 -0.39 -3.13 119.26 120.37 3h14 h ALA 256 Ca 0.04 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 3h14 h ALA 256 Cb 0.12 -0.33 0.01 0.00 0.00 0.00 0.00 17.79 17.59 3h14 h ALA 256 CO -0.00 0.63 -0.30 1.96 0.00 0.00 0.00 179.25 181.54 3h14 h GLN 257 N 1.17 -0.80 -1.40 0.00 4.20 -0.71 0.25 115.11 117.83 3h14 h GLN 257 Ca 0.29 0.05 0.00 0.00 0.06 0.00 0.00 58.65 59.06 3h14 h GLN 257 Cb 0.04 0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.01 3h14 h GLN 257 CO -0.05 -0.53 0.00 0.09 -0.67 0.00 0.00 178.83 177.67 3h14 n ASN 258 N -5.10 0.24 -2.69 1.46 4.13 0.90 -4.66 115.26 109.54 3h14 n ASN 258 Ca -0.10 -0.20 -0.06 0.00 1.68 0.00 0.00 54.58 55.90 3h14 n ASN 258 Cb 0.33 -0.05 0.08 0.00 -1.54 0.00 0.00 39.78 38.59 3h14 n ASN 258 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 3h14 n PHE 260 N 0.81 -1.81 -3.57 3.10 3.72 -0.04 -5.05 117.46 114.61 3h14 n PHE 260 Ca 0.00 -1.54 -0.41 0.00 -0.05 0.00 0.00 57.45 55.46 3h14 n PHE 260 Cb 0.04 1.47 -0.09 0.00 -0.94 0.00 0.00 39.48 39.96 3h14 n PHE 260 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3h14 s ILE 261 N 0.15 4.27 0.18 4.37 1.01 0.69 -5.04 121.20 126.83 3h14 s ILE 261 Ca 0.17 -1.53 -0.20 0.00 0.00 0.00 0.00 60.65 59.09 3h14 s ILE 261 Cb 0.29 -3.69 0.05 0.00 0.01 0.00 0.00 42.46 39.12 3h14 s ILE 261 CO -0.07 -0.61 0.57 0.00 0.00 0.00 0.00 174.94 174.83 3h14 s ALA 263 N -3.82 3.20 0.34 0.00 0.00 -1.26 -4.39 121.76 115.83 3h14 s ALA 263 Ca 0.05 0.58 -0.28 0.00 0.00 0.00 0.00 51.96 52.30 3h14 s ALA 263 Cb -0.01 -3.21 -0.12 0.00 0.00 0.00 0.00 23.12 19.78 3h14 s ALA 263 CO -0.07 0.09 1.37 -2.30 0.00 0.00 0.00 175.76 174.85 3h14 n PRO 264 N 0.50 2.30 -0.19 0.00 -0.01 -1.26 -4.86 135.00 131.47 3h14 n PRO 264 Ca 0.02 0.81 -0.01 0.00 -0.01 0.00 0.00 63.50 64.31 3h14 n PRO 264 Cb 0.50 -2.45 0.21 0.00 -0.01 0.00 0.00 33.50 31.75 3h14 n PRO 264 CO 0.00 0.00 0.00 1.25 -0.01 0.00 0.00 175.50 176.74 3h14 h HIS 265 N 2.94 0.93 -0.49 6.00 2.76 -1.99 -1.94 115.15 123.36 3h14 h HIS 265 Ca -0.47 -0.02 0.06 0.00 -2.20 0.00 0.00 60.37 57.73 3h14 h HIS 265 Cb 1.27 -0.30 -0.05 0.00 1.55 0.00 0.00 27.41 29.88 3h14 h HIS 265 CO 0.52 0.66 0.20 0.00 -1.30 0.00 0.00 177.93 178.01 3h14 h ALA 266 N 1.44 0.61 -0.47 5.26 0.00 -1.99 -1.47 119.26 122.64 3h14 h ALA 266 Ca 0.24 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 3h14 h ALA 266 Cb 0.06 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3h14 h ALA 266 CO -0.04 -0.19 0.12 0.77 0.00 0.00 0.00 179.25 179.91 3h14 h SER 267 N 0.39 0.66 -0.45 0.00 0.02 -1.70 -2.46 113.55 110.00 3h14 h SER 267 Ca 0.23 -0.11 -0.10 0.00 -0.84 0.00 0.00 61.79 60.98 3h14 h SER 267 Cb 0.22 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 3h14 h SER 267 CO -0.22 0.65 -0.09 1.56 -1.14 0.00 0.00 176.83 177.59 3h14 h GLN 268 N 0.69 0.91 -0.02 3.45 4.20 -0.58 -1.32 115.11 122.44 3h14 h GLN 268 Ca 0.16 -0.31 0.01 0.00 0.06 0.00 0.00 58.65 58.57 3h14 h GLN 268 Cb 0.26 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 3h14 h GLN 268 CO -0.00 0.96 -0.05 0.28 -0.67 0.00 0.00 178.83 179.34 3h14 h VAL 269 N 0.82 0.86 -0.94 -0.54 2.07 -1.18 -1.82 116.25 115.52 3h14 h VAL 269 Ca 0.14 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.65 3h14 h VAL 269 Cb 0.61 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 31.20 3h14 h VAL 269 CO 0.04 0.00 0.55 0.00 0.02 0.00 0.00 177.57 178.18 3h14 h ALA 270 N 0.92 1.21 -0.34 1.67 0.00 -1.30 -2.92 119.26 118.50 3h14 h ALA 270 Ca 0.03 -0.11 -0.16 0.00 0.00 0.00 0.00 54.91 54.67 3h14 h ALA 270 Cb 0.12 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 3h14 h ALA 270 CO -0.07 0.67 -0.41 0.00 0.00 0.00 0.00 179.25 179.44 3h14 h ALA 271 N 1.31 0.51 -0.62 0.00 0.00 -1.12 0.47 119.26 119.82 3h14 h ALA 271 Ca 0.33 -0.46 0.13 0.00 0.00 0.00 0.00 54.91 54.91 3h14 h ALA 271 Cb -0.03 -0.10 -0.10 0.00 0.00 0.00 0.00 17.79 17.55 3h14 h ALA 271 CO -0.06 0.63 0.02 1.25 0.00 0.00 0.00 179.25 181.09 3h14 h LEU 272 N 0.68 -0.24 -0.37 0.00 5.85 -1.25 -2.11 115.31 117.88 3h14 h LEU 272 Ca 0.04 0.15 -0.17 0.00 0.84 0.00 0.00 57.88 58.74 3h14 h LEU 272 Cb 1.01 0.26 -0.00 0.00 0.37 0.00 0.00 40.66 42.29 3h14 h LEU 272 CO 0.10 -0.10 -0.50 0.00 -0.34 0.00 0.00 178.44 177.60 3h14 h ALA 273 N 1.55 0.54 -0.72 1.25 0.00 -1.26 -3.19 119.26 117.44 3h14 h ALA 273 Ca 0.32 -0.50 0.10 0.00 0.00 0.00 0.00 54.91 54.84 3h14 h ALA 273 Cb 0.52 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 3h14 h ALA 273 CO -0.51 0.68 0.48 0.00 0.00 0.00 0.00 179.25 179.89 3h14 h ALA 274 N 0.76 1.89 0.00 0.00 0.00 -0.29 -0.28 119.26 121.35 3h14 h ALA 274 Ca 0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3h14 h ALA 274 Cb 1.09 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 3h14 h ALA 274 CO 0.11 -0.05 -0.00 -0.07 0.00 0.00 0.00 179.25 179.24 3h14 h LEU 275 N 0.58 0.00 -2.47 0.00 3.38 -1.39 -0.15 115.31 115.26 3h14 h LEU 275 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 3h14 h LEU 275 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 3h14 h LEU 275 CO -0.12 0.00 0.00 0.47 0.09 0.00 0.00 178.44 178.89 3h14 n ASP 276 N -3.64 3.65 -2.06 -0.43 8.00 -0.12 -4.56 116.55 117.39 3h14 n ASP 276 Ca -0.03 -1.99 -0.22 0.00 0.71 0.00 0.00 54.79 53.26 3h14 n ASP 276 Cb 0.08 -0.35 0.03 0.00 -0.02 0.00 0.00 41.12 40.86 3h14 n ASP 276 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3h14 h ASP 278 N 1.77 0.27 -0.04 0.00 3.32 -1.80 -1.46 116.42 118.47 3h14 h ASP 278 Ca 0.36 0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.54 3h14 h ASP 278 Cb 0.86 0.11 -0.00 0.00 0.22 0.00 0.00 39.33 40.51 3h14 h ASP 278 CO 0.94 0.07 0.03 0.00 -1.72 0.00 0.00 179.24 178.55 3h14 h ALA 279 N 1.59 0.05 -0.30 3.45 0.00 -1.98 0.11 119.26 122.18 3h14 h ALA 279 Ca 0.45 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.30 3h14 h ALA 279 Cb 0.74 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3h14 h ALA 279 CO -0.45 -0.44 -0.01 1.49 0.00 0.00 0.00 179.25 179.84 3h14 h GLU 280 N 0.04 0.55 -0.14 0.00 4.81 -1.85 -1.91 114.58 116.08 3h14 h GLU 280 Ca 0.01 -0.18 -0.08 0.00 -0.13 0.00 0.00 59.36 58.98 3h14 h GLU 280 Cb 0.01 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 3h14 h GLU 280 CO -0.00 0.70 -0.26 -0.07 -0.73 0.00 0.00 179.01 178.64 3h14 h LEU 281 N 0.34 0.25 -0.83 1.64 3.38 -1.14 -1.20 115.31 117.75 3h14 h LEU 281 Ca 0.08 -0.08 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 3h14 h LEU 281 Cb 0.46 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 3h14 h LEU 281 CO 0.02 0.52 -0.51 1.56 0.09 0.00 0.00 178.44 180.12 3h14 h GLN 282 N 0.23 0.00 -0.36 1.13 1.08 -0.93 -1.82 115.11 114.45 3h14 h GLN 282 Ca 0.04 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.18 3h14 h GLN 282 Cb 0.59 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.01 3h14 h GLN 282 CO 0.04 0.51 0.02 0.00 -0.95 0.00 0.00 178.83 178.45 3h14 h ALA 283 N 1.49 0.48 -0.50 3.87 0.00 -0.42 0.74 119.26 124.93 3h14 h ALA 283 Ca -0.01 -0.23 0.07 0.00 0.00 0.00 0.00 54.91 54.74 3h14 h ALA 283 Cb 1.01 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.61 3h14 h ALA 283 CO 0.07 0.23 0.19 -0.91 0.00 0.00 0.00 179.25 178.82 3h14 h ASN 284 N 0.44 0.20 -0.35 0.00 2.35 -1.21 -1.89 115.58 115.13 3h14 h ASN 284 Ca 0.10 0.06 -0.05 0.00 -0.55 0.00 0.00 56.30 55.87 3h14 h ASN 284 Cb 0.42 0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.81 3h14 h ASN 284 CO 0.01 0.14 0.07 0.25 -1.65 0.00 0.00 177.43 176.26 3h14 h LEU 285 N 0.37 0.61 -1.09 1.61 5.85 -0.83 -2.06 115.31 119.78 3h14 h LEU 285 Ca 0.24 -0.11 0.05 0.00 0.84 0.00 0.00 57.88 58.90 3h14 h LEU 285 Cb 0.24 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.06 3h14 h LEU 285 CO -0.24 0.63 0.62 0.44 -0.34 0.00 0.00 178.44 179.56 3h14 h ASP 286 N 0.64 1.00 -0.28 1.25 3.32 -0.32 0.12 116.42 122.14 3h14 h ASP 286 Ca 0.14 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 3h14 h ASP 286 Cb 0.29 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 3h14 h ASP 286 CO 0.00 0.67 0.13 0.58 -1.72 0.00 0.00 179.24 178.91 3h14 h VAL 287 N 1.15 1.15 -0.92 -1.35 2.07 -0.74 -1.47 116.25 116.14 3h14 h VAL 287 Ca 0.39 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.47 3h14 h VAL 287 Cb 0.08 0.92 -0.04 0.00 -1.52 0.00 0.00 31.29 30.73 3h14 h VAL 287 CO -0.13 0.16 0.58 1.88 0.02 0.00 0.00 177.57 180.07 3h14 h TYR 288 N 0.32 1.19 -0.74 1.57 0.05 -0.72 -0.75 116.97 117.90 3h14 h TYR 288 Ca 0.10 0.01 0.01 0.00 0.05 0.00 0.00 58.73 58.90 3h14 h TYR 288 Cb 0.13 -0.40 -0.04 0.00 1.01 0.00 0.00 36.73 37.43 3h14 h TYR 288 CO -0.02 0.78 0.49 0.87 -1.05 0.00 0.00 178.16 179.22 3h14 h LYS 289 N 1.26 0.96 -0.51 4.88 1.57 -0.51 -0.54 116.57 123.68 3h14 h LYS 289 Ca 0.33 -0.06 -0.10 0.00 -1.87 0.00 0.00 60.65 58.95 3h14 h LYS 289 Cb -0.09 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 31.99 3h14 h LYS 289 CO -0.07 0.64 -0.09 0.00 -0.57 0.00 0.00 179.45 179.36 3h14 h ALA 290 N 1.28 0.69 -0.46 3.86 0.00 -0.81 -2.52 119.26 121.30 3h14 h ALA 290 Ca 0.27 -0.33 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 3h14 h ALA 290 Cb -0.10 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3h14 h ALA 290 CO -0.06 0.58 -0.18 -0.91 0.00 0.00 0.00 179.25 178.68 3h14 h ASN 291 N 0.81 0.92 -0.37 0.00 2.35 -0.78 -2.46 115.58 116.06 3h14 h ASN 291 Ca 0.13 -0.32 -0.01 0.00 -0.55 0.00 0.00 56.30 55.54 3h14 h ASN 291 Cb 0.64 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.75 3h14 h ASN 291 CO 0.04 1.08 0.17 -0.09 -1.65 0.00 0.00 177.43 176.98 3h14 h ARG 292 N 0.79 0.53 -0.29 0.81 2.43 -1.06 -2.67 114.38 114.91 3h14 h ARG 292 Ca 0.11 -0.08 0.06 0.00 -0.81 0.00 0.00 59.98 59.26 3h14 h ARG 292 Cb 0.73 -0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 30.12 3h14 h ARG 292 CO 0.06 0.48 -0.09 -0.22 -1.51 0.00 0.00 179.97 178.69 3h14 h LYS 293 N 0.45 -0.02 -0.60 0.20 3.64 -1.35 0.39 116.57 119.28 3h14 h LYS 293 Ca 0.13 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 3h14 h LYS 293 Cb 0.13 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 3h14 h LYS 293 CO -0.02 -0.01 0.00 1.28 -2.27 0.00 0.00 179.45 178.43 3h14 n LEU 294 N -5.26 0.00 0.00 5.20 4.32 -0.93 -1.97 117.00 118.35 3h14 n LEU 294 Ca -0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 3h14 n LEU 294 Cb 0.18 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.98 3h14 n LEU 294 CO 0.19 0.00 0.00 0.18 -1.22 0.00 0.00 177.39 176.54 3h14 n LEU 296 N 0.59 0.00 -0.06 2.23 4.77 0.13 -0.95 117.00 123.71 3h14 n LEU 296 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 3h14 n LEU 296 Cb 0.00 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.02 3h14 n LEU 296 CO 0.00 0.00 0.64 -0.33 -1.33 0.00 0.00 177.39 176.37 3h14 h GLU 297 N 0.00 0.35 0.00 3.23 5.08 -1.64 -3.41 114.58 118.19 3h14 h GLU 297 Ca 0.00 -0.17 -0.18 0.00 -1.00 0.00 0.00 59.36 58.01 3h14 h GLU 297 Cb 0.00 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 3h14 h GLU 297 CO 0.00 0.69 -1.95 0.54 -1.00 0.00 0.00 179.01 177.29 3h14 n ARG 298 N -4.59 0.66 -0.17 2.33 1.74 -0.13 -4.19 116.66 112.31 3h14 n ARG 298 Ca -0.06 -0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.93 3h14 n ARG 298 Cb 0.33 -1.61 0.01 0.00 -1.02 0.00 0.00 32.46 30.16 3h14 n ARG 298 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3h14 h LEU 299 N 0.00 0.72 -0.38 0.55 3.38 -1.79 -2.10 115.31 115.69 3h14 h LEU 299 Ca -0.24 -0.22 0.05 0.00 0.09 0.00 0.00 57.88 57.56 3h14 h LEU 299 Cb 1.61 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 42.13 3h14 h LEU 299 CO 0.02 0.75 0.10 -0.65 0.09 0.00 0.00 178.44 178.75 3h14 h PRO 300 N 0.65 0.23 -0.98 1.13 0.11 -1.72 -0.26 132.00 131.16 3h14 h PRO 300 Ca 0.15 -0.01 0.23 0.00 0.11 0.00 0.00 66.00 66.48 3h14 h PRO 300 Cb 0.30 -0.05 -0.08 0.00 0.11 0.00 0.00 31.00 31.27 3h14 h PRO 300 CO -0.00 0.16 0.64 0.87 -0.21 0.00 0.00 178.00 179.45 3h14 h LYS 301 N 0.24 0.40 -0.00 1.05 6.56 -1.68 0.60 116.57 123.74 3h14 h LYS 301 Ca 0.18 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.74 3h14 h LYS 301 Cb 0.18 -0.09 0.00 0.00 -0.57 0.00 0.00 32.23 31.75 3h14 h LYS 301 CO -0.21 0.27 -0.08 0.00 -2.06 0.00 0.00 179.45 177.37 3h14 n ALA 302 N -2.50 2.65 0.00 3.86 0.00 -0.46 -4.90 120.51 119.16 3h14 n ALA 302 Ca 0.22 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.46 3h14 n ALA 302 Cb 0.78 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.84 3h14 n ALA 302 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h14 n GLY 303 N 1.32 0.80 3.35 0.00 0.00 0.20 -4.86 105.19 106.00 3h14 n GLY 303 Ca 0.13 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.70 3h14 n GLY 303 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3h14 n PHE 304 N -0.86 5.17 0.88 1.61 3.72 -0.23 -4.81 117.46 122.94 3h14 n PHE 304 Ca 0.00 -3.80 0.10 0.00 -0.05 0.00 0.00 57.45 53.71 3h14 n PHE 304 Cb 0.00 -1.78 -0.10 0.00 -0.94 0.00 0.00 39.48 36.66 3h14 n PHE 304 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3h14 n THR 305 N 2.96 0.00 -3.96 4.37 -2.24 -1.26 -3.08 114.28 111.08 3h14 n THR 305 Ca 0.26 -0.06 -0.32 0.00 -2.27 0.00 0.00 64.05 61.66 3h14 n THR 305 Cb 0.39 0.84 -0.14 0.00 -2.10 0.00 0.00 70.33 69.32 3h14 n THR 305 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3h14 s ARG 306 N -3.06 1.68 0.05 -0.78 0.52 -1.26 -5.01 118.95 111.09 3h14 s ARG 306 Ca 0.06 -1.82 0.06 0.00 -0.52 0.00 0.00 55.73 53.51 3h14 s ARG 306 Cb 0.16 -3.29 -0.02 0.00 0.52 0.00 0.00 34.95 32.32 3h14 s ARG 306 CO 0.86 -0.95 -0.16 0.96 0.02 0.00 0.00 175.30 176.04 3h14 s ILE 307 N 0.98 1.25 0.60 1.52 -4.36 -1.26 -1.14 121.20 118.78 3h14 s ILE 307 Ca 0.09 -1.14 -0.18 0.00 -0.26 0.00 0.00 60.65 59.16 3h14 s ILE 307 Cb -0.20 -1.13 -0.03 0.00 1.25 0.00 0.00 42.46 42.34 3h14 s ILE 307 CO -0.07 -0.02 1.17 0.00 0.24 0.00 0.00 174.94 176.27 3h14 s ALA 308 N -0.96 2.54 -0.17 2.27 0.00 -0.20 -4.94 121.76 120.30 3h14 s ALA 308 Ca 0.02 0.89 -0.29 0.00 0.00 0.00 0.00 51.96 52.58 3h14 s ALA 308 Cb -0.09 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.58 3h14 s ALA 308 CO 0.02 -1.12 1.74 -1.25 0.00 0.00 0.00 175.76 175.15 3h14 s PRO 309 N -3.46 3.78 -1.27 0.00 0.04 -1.26 -4.64 135.00 128.19 3h14 s PRO 309 Ca 0.75 1.87 -0.17 0.00 0.04 0.00 0.00 61.00 63.48 3h14 s PRO 309 Cb -0.27 -4.09 0.09 0.00 0.04 0.00 0.00 34.50 30.27 3h14 s PRO 309 CO 0.33 -1.32 1.67 -1.25 0.04 0.00 0.00 177.00 176.47 3h14 s PRO 310 N 4.81 3.99 0.27 0.56 0.04 -1.26 -3.92 135.00 139.50 3h14 s PRO 310 Ca 0.77 -2.07 0.02 0.00 0.04 0.00 0.00 61.00 59.76 3h14 s PRO 310 Cb -0.29 -5.44 0.39 0.00 0.04 0.00 0.00 34.50 29.20 3h14 s PRO 310 CO 0.31 -2.17 1.72 -0.44 0.04 0.00 0.00 177.00 176.47 3h14 h ASP 311 N 7.59 0.53 -1.99 6.66 3.32 -1.66 -3.47 116.42 127.39 3h14 h ASP 311 Ca 0.41 -0.17 -0.03 0.00 0.02 0.00 0.00 57.03 57.26 3h14 h ASP 311 Cb 0.88 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.28 3h14 h ASP 311 CO 1.42 0.76 0.10 0.61 -1.72 0.00 0.00 179.24 180.41 3h14 n GLY 312 N -0.39 1.66 7.00 2.75 0.00 0.15 -3.82 105.19 112.54 3h14 n GLY 312 Ca -0.00 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.86 3h14 n GLY 312 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h14 n ALA 313 N -1.90 0.00 -2.64 4.61 0.00 0.15 -4.38 120.51 116.34 3h14 n ALA 313 Ca -0.07 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.26 3h14 n ALA 313 Cb 0.27 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.75 3h14 n ALA 313 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 3h14 n PHE 314 N 0.00 1.49 -4.26 0.00 1.16 -1.26 -4.86 117.46 109.73 3h14 n PHE 314 Ca 0.00 -2.75 -0.22 0.00 -1.87 0.00 0.00 57.45 52.60 3h14 n PHE 314 Cb 0.00 -0.32 -0.12 0.00 -1.61 0.00 0.00 39.48 37.42 3h14 n PHE 314 CO 0.00 0.00 0.00 0.71 -1.87 0.00 0.00 176.76 175.60 3h14 s TYR 315 N -3.26 1.63 -0.09 2.97 2.02 -1.26 -0.82 117.35 118.53 3h14 s TYR 315 Ca 0.30 -0.43 0.02 0.00 -0.37 0.00 0.00 57.07 56.59 3h14 s TYR 315 Cb 0.44 -0.89 0.01 0.00 -0.40 0.00 0.00 41.96 41.12 3h14 s TYR 315 CO 0.00 0.17 -0.14 0.08 -1.57 0.00 0.00 175.55 174.09 3h14 s VAL 316 N -1.25 1.36 -0.25 0.71 1.01 -0.03 -4.52 120.40 117.43 3h14 s VAL 316 Ca 0.05 -0.58 -0.05 0.00 0.00 0.00 0.00 61.98 61.40 3h14 s VAL 316 Cb -0.10 -1.25 -0.01 0.00 0.00 0.00 0.00 36.38 35.03 3h14 s VAL 316 CO 0.04 0.41 0.02 -0.47 0.00 0.00 0.00 175.10 175.10 3h14 s TYR 317 N 0.91 3.06 -0.04 5.22 5.04 -1.26 -0.35 117.35 129.93 3h14 s TYR 317 Ca -0.09 -0.88 0.06 0.00 -2.44 0.00 0.00 57.07 53.72 3h14 s TYR 317 Cb -0.15 -2.18 -0.02 0.00 0.35 0.00 0.00 41.96 39.96 3h14 s TYR 317 CO 0.00 -0.53 -0.21 0.00 -1.34 0.00 0.00 175.55 173.48 3h14 s ALA 318 N 1.51 2.36 -0.33 3.97 0.00 -0.02 -1.03 121.76 128.22 3h14 s ALA 318 Ca 0.04 -1.05 -0.23 0.00 0.00 0.00 0.00 51.96 50.73 3h14 s ALA 318 Cb -0.16 -0.75 0.00 0.00 0.00 0.00 0.00 23.12 22.21 3h14 s ALA 318 CO 0.00 0.51 0.75 0.34 0.00 0.00 0.00 175.76 177.36 3h14 s ASP 319 N -0.53 6.59 -0.16 0.00 -1.08 -0.30 -1.20 116.67 119.99 3h14 s ASP 319 Ca 0.07 0.50 0.17 0.00 -0.52 0.00 0.00 52.55 52.77 3h14 s ASP 319 Cb -0.11 -2.39 0.39 0.00 -1.46 0.00 0.00 42.92 39.35 3h14 s ASP 319 CO 0.01 -0.63 1.26 1.33 0.52 0.00 0.00 175.17 177.66 3h14 n VAL 320 N 5.59 2.08 0.30 1.11 0.24 0.46 -4.60 118.33 123.53 3h14 n VAL 320 Ca 0.02 -2.30 0.18 0.00 -2.04 0.00 0.00 64.34 60.20 3h14 n VAL 320 Cb 0.48 -0.25 0.85 0.00 -1.47 0.00 0.00 33.84 33.45 3h14 n VAL 320 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 3h14 h SER 321 N 0.67 0.00 1.44 -1.34 4.64 -1.73 0.49 113.55 117.73 3h14 h SER 321 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3h14 h SER 321 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3h14 h SER 321 CO 0.09 0.00 0.00 -2.24 -0.87 0.00 0.00 176.83 173.81 3h14 h ASP 322 N 0.00 0.00 0.00 4.97 2.03 -1.92 -3.35 116.42 118.15 3h14 h ASP 322 Ca 0.00 0.00 -0.11 0.00 -0.73 0.00 0.00 57.03 56.19 3h14 h ASP 322 Cb 0.24 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.72 3h14 h ASP 322 CO 0.00 0.00 -1.82 0.18 -1.03 0.00 0.00 179.24 176.57 3h14 n LEU 323 N -2.73 0.00 -3.44 0.15 4.77 0.10 -5.04 117.00 110.81 3h14 n LEU 323 Ca 0.03 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.88 3h14 n LEU 323 Cb 0.41 0.14 -0.03 0.00 -2.33 0.00 0.00 43.42 41.61 3h14 n LEU 323 CO 0.29 0.14 0.40 0.28 -1.33 0.00 0.00 177.39 177.18 3h14 s THR 324 N -2.79 0.00 -1.38 -5.08 -1.32 -0.80 -5.01 115.64 99.27 3h14 s THR 324 Ca -0.06 -0.01 0.22 0.00 -1.21 0.00 0.00 61.69 60.63 3h14 s THR 324 Cb 0.08 -1.00 -0.12 0.00 -1.51 0.00 0.00 72.50 69.95 3h14 s THR 324 CO 0.62 -0.01 1.03 -0.90 -2.21 0.00 0.00 174.62 173.16 3h14 n ASP 325 N -0.17 1.31 -3.30 8.08 5.68 -1.26 -4.33 116.55 122.56 3h14 n ASP 325 Ca -0.17 -1.12 -0.09 0.00 -0.50 0.00 0.00 54.79 52.91 3h14 n ASP 325 Cb 0.64 0.74 -0.05 0.00 -1.14 0.00 0.00 41.12 41.30 3h14 n ASP 325 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3h14 s ASP 326 N -2.81 0.27 0.61 -1.12 2.15 -1.23 -4.73 116.67 109.81 3h14 s ASP 326 Ca 0.12 -0.74 0.35 0.00 0.43 0.00 0.00 52.55 52.71 3h14 s ASP 326 Cb 0.17 1.11 2.01 0.00 -0.30 0.00 0.00 42.92 45.91 3h14 s ASP 326 CO 0.74 -0.30 2.29 0.77 -0.17 0.00 0.00 175.17 178.50 3h14 h SER 327 N 7.71 0.00 0.01 -0.34 4.64 -0.76 -0.32 113.55 124.49 3h14 h SER 327 Ca -0.03 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.29 3h14 h SER 327 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 3h14 h SER 327 CO 0.22 0.01 -0.00 -0.09 -0.87 0.00 0.00 176.83 176.09 3h14 h ARG 328 N 0.00 -0.01 -0.77 4.77 2.43 -1.89 0.99 114.38 119.90 3h14 h ARG 328 Ca -0.00 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 3h14 h ARG 328 Cb 0.02 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.54 3h14 h ARG 328 CO 0.00 0.38 0.32 0.00 -1.51 0.00 0.00 179.97 179.16 3h14 h ALA 329 N 0.58 1.10 -0.48 2.80 0.00 -1.75 -2.10 119.26 119.42 3h14 h ALA 329 Ca -0.00 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 3h14 h ALA 329 Cb 0.40 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3h14 h ALA 329 CO 0.00 0.65 0.06 0.35 0.00 0.00 0.00 179.25 180.31 3h14 h PHE 330 N 1.12 0.86 -0.88 0.00 3.57 -1.04 -1.21 116.94 119.35 3h14 h PHE 330 Ca 0.26 -0.12 -0.02 0.00 3.53 0.00 0.00 57.97 61.61 3h14 h PHE 330 Cb 0.20 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 38.66 3h14 h PHE 330 CO 0.02 0.80 0.46 0.00 -2.23 0.00 0.00 178.31 177.35 3h14 h ALA 331 N 0.95 1.14 -0.62 2.41 0.00 -0.67 -0.61 119.26 121.86 3h14 h ALA 331 Ca 0.14 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3h14 h ALA 331 Cb 0.41 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3h14 h ALA 331 CO 0.01 0.67 0.19 0.00 0.00 0.00 0.00 179.25 180.12 3h14 h ALA 332 N 1.25 1.16 -0.29 0.00 0.00 -1.03 -1.41 119.26 118.94 3h14 h ALA 332 Ca 0.31 -0.20 -0.19 0.00 0.00 0.00 0.00 54.91 54.83 3h14 h ALA 332 Cb 0.07 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3h14 h ALA 332 CO -0.04 0.58 -0.55 1.49 0.00 0.00 0.00 179.25 180.73 3h14 h GLU 333 N 0.91 0.88 -0.49 0.00 4.81 -0.86 -1.48 114.58 118.36 3h14 h GLU 333 Ca 0.20 -0.56 0.01 0.00 -0.13 0.00 0.00 59.36 58.88 3h14 h GLU 333 Cb 0.27 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 3h14 h GLU 333 CO -0.01 1.20 0.32 0.82 -0.73 0.00 0.00 179.01 180.61 3h14 h ILE 334 N 0.67 1.12 0.30 2.32 2.04 -0.84 0.40 117.51 123.53 3h14 h ILE 334 Ca 0.01 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 3h14 h ILE 334 Cb 1.16 0.40 -0.00 0.00 -0.74 0.00 0.00 36.82 37.64 3h14 h ILE 334 CO 0.12 0.12 -0.18 0.25 0.00 0.00 0.00 178.15 178.46 3h14 h LEU 335 N 0.66 -0.46 -0.23 1.44 5.85 -1.05 0.35 115.31 121.87 3h14 h LEU 335 Ca 0.18 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.93 3h14 h LEU 335 Cb -0.07 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 3h14 h LEU 335 CO -0.04 -0.30 0.13 -0.08 -0.34 0.00 0.00 178.44 177.81 3h14 h GLU 336 N -0.47 0.31 0.03 1.25 4.81 -1.12 -2.03 114.58 117.37 3h14 h GLU 336 Ca -0.03 -0.03 -0.37 0.00 -0.13 0.00 0.00 59.36 58.80 3h14 h GLU 336 Cb 0.39 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.65 3h14 h GLU 336 CO 0.03 0.27 -2.22 1.63 -0.73 0.00 0.00 179.01 177.99 3h14 n LYS 337 N -4.88 0.69 0.03 1.92 5.02 0.12 -4.35 118.16 116.70 3h14 n LYS 337 Ca -0.03 0.17 0.11 0.00 -2.02 0.00 0.00 58.31 56.54 3h14 n LYS 337 Cb 0.06 -1.61 -0.04 0.00 -0.02 0.00 0.00 35.03 33.42 3h14 n LYS 337 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3h14 n ALA 338 N -2.99 3.14 -2.24 7.82 0.00 0.12 -4.99 120.51 121.37 3h14 n ALA 338 Ca -0.36 -0.41 -0.12 0.00 0.00 0.00 0.00 53.44 52.55 3h14 n ALA 338 Cb 1.05 -0.93 -0.01 0.00 0.00 0.00 0.00 19.45 19.57 3h14 n ALA 338 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h14 n GLY 339 N 1.31 -0.14 3.11 0.00 0.00 -0.76 -4.81 105.19 103.90 3h14 n GLY 339 Ca 0.00 -0.36 -0.27 0.00 0.00 0.00 0.00 46.02 45.39 3h14 n GLY 339 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h14 s VAL 340 N -2.62 1.44 -0.24 1.61 1.01 -1.24 -1.43 120.40 118.93 3h14 s VAL 340 Ca 0.00 -0.69 -0.11 0.00 0.00 0.00 0.00 61.98 61.18 3h14 s VAL 340 Cb -0.00 -1.26 -0.05 0.00 0.00 0.00 0.00 36.38 35.07 3h14 s VAL 340 CO 0.00 0.42 0.18 0.00 0.00 0.00 0.00 175.10 175.71 3h14 s ALA 341 N 0.29 3.60 0.20 5.51 0.00 0.13 -2.71 121.76 128.78 3h14 s ALA 341 Ca -0.10 -0.86 0.02 0.00 0.00 0.00 0.00 51.96 51.02 3h14 s ALA 341 Cb -0.14 -2.36 -0.05 0.00 0.00 0.00 0.00 23.12 20.57 3h14 s ALA 341 CO 0.04 -0.22 0.02 0.14 0.00 0.00 0.00 175.76 175.74 3h14 s VAL 342 N 1.11 0.73 -0.19 0.00 -7.23 -1.26 -2.13 120.40 111.42 3h14 s VAL 342 Ca 0.09 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.22 3h14 s VAL 342 Cb -0.14 -2.29 -0.02 0.00 0.56 0.00 0.00 36.38 34.50 3h14 s VAL 342 CO 0.05 -0.33 -0.03 -0.89 -0.31 0.00 0.00 175.10 173.58 3h14 s THR 343 N -3.63 3.68 0.64 5.32 2.01 -0.94 -4.81 115.64 117.91 3h14 s THR 343 Ca 0.28 -0.41 -0.18 0.00 0.31 0.00 0.00 61.69 61.69 3h14 s THR 343 Cb 0.06 -2.64 -0.01 0.00 0.01 0.00 0.00 72.50 69.92 3h14 s THR 343 CO 0.07 0.45 1.24 -2.84 -0.69 0.00 0.00 174.62 172.85 3h14 s PRO 344 N 0.94 2.65 0.26 4.92 0.02 -1.26 -0.86 135.00 141.66 3h14 s PRO 344 Ca 0.00 1.91 0.24 0.00 0.02 0.00 0.00 61.00 63.17 3h14 s PRO 344 Cb -0.15 -1.88 0.97 0.00 0.02 0.00 0.00 34.50 33.47 3h14 s PRO 344 CO 0.01 -1.48 1.72 0.41 -0.33 0.00 0.00 177.00 177.33 3h14 n GLY 345 N 0.63 -1.31 0.34 0.52 0.00 -0.06 -4.02 105.19 101.30 3h14 n GLY 345 Ca 0.14 0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.35 3h14 n GLY 345 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3h14 h LEU 346 N 0.00 0.74 -1.81 0.99 3.38 -1.73 -0.52 115.31 116.36 3h14 h LEU 346 Ca 0.00 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3h14 h LEU 346 Cb 0.39 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3h14 h LEU 346 CO 0.00 0.29 -0.00 0.44 0.09 0.00 0.00 178.44 179.26 3h14 h ASP 347 N 0.76 0.10 0.43 -0.43 3.32 -1.93 -2.93 116.42 115.74 3h14 h ASP 347 Ca 0.54 -0.01 -0.30 0.00 0.02 0.00 0.00 57.03 57.28 3h14 h ASP 347 Cb 0.78 -0.02 -0.05 0.00 0.22 0.00 0.00 39.33 40.26 3h14 h ASP 347 CO -0.36 0.13 -1.77 0.49 -1.72 0.00 0.00 179.24 176.01 3h14 n PHE 348 N -4.46 0.98 -3.36 4.55 3.72 -0.28 -4.25 117.46 114.37 3h14 n PHE 348 Ca -0.02 0.34 -0.16 0.00 -0.05 0.00 0.00 57.45 57.56 3h14 n PHE 348 Cb 0.13 -1.18 -0.07 0.00 -0.94 0.00 0.00 39.48 37.42 3h14 n PHE 348 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3h14 s ASP 349 N -6.16 1.08 0.57 4.37 -1.08 -0.75 -1.76 116.67 112.94 3h14 s ASP 349 Ca -0.07 -1.55 0.25 0.00 -0.52 0.00 0.00 52.55 50.66 3h14 s ASP 349 Cb 0.08 0.61 1.62 0.00 -1.46 0.00 0.00 42.92 43.76 3h14 s ASP 349 CO 0.82 -0.26 2.20 -0.65 0.52 0.00 0.00 175.17 177.80 3h14 h PRO 350 N 7.06 0.00 0.15 4.34 0.11 -1.79 0.81 132.00 142.68 3h14 h PRO 350 Ca 0.05 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.82 3h14 h PRO 350 Cb 1.06 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 3h14 h PRO 350 CO 0.20 0.00 -1.71 0.93 -0.21 0.00 0.00 178.00 177.21 3h14 h GLU 351 N 0.00 0.32 -0.01 1.05 3.07 -1.96 -3.40 114.58 113.65 3h14 h GLU 351 Ca 0.02 -0.54 0.00 0.00 -0.50 0.00 0.00 59.36 58.34 3h14 h GLU 351 Cb 0.08 0.20 0.00 0.00 -0.84 0.00 0.00 28.75 28.19 3h14 h GLU 351 CO -0.00 1.20 -0.04 0.54 -1.40 0.00 0.00 179.01 179.32 3h14 n ARG 352 N -3.51 0.69 0.12 2.33 1.74 -1.15 -4.79 116.66 112.09 3h14 n ARG 352 Ca -0.23 -0.70 0.12 0.00 -0.77 0.00 0.00 57.85 56.27 3h14 n ARG 352 Cb 1.06 -1.05 0.47 0.00 -1.02 0.00 0.00 32.46 31.93 3h14 n ARG 352 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3h14 n GLY 353 N 0.45 -1.30 0.29 -0.13 0.00 0.28 -2.36 105.19 102.42 3h14 n GLY 353 Ca 0.03 0.06 0.17 0.00 0.00 0.00 0.00 46.02 46.28 3h14 n GLY 353 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h14 h ALA 354 N 2.31 1.13 -0.53 4.61 0.00 -1.87 -2.44 119.26 122.48 3h14 h ALA 354 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3h14 h ALA 354 Cb 0.39 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3h14 h ALA 354 CO 0.00 0.06 0.00 0.41 0.00 0.00 0.00 179.25 179.72 3h14 n GLY 355 N -0.62 2.95 3.21 0.00 0.00 -0.99 -0.10 105.19 109.63 3h14 n GLY 355 Ca -0.02 -0.78 -0.12 0.00 0.00 0.00 0.00 46.02 45.10 3h14 n GLY 355 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3h14 s THR 356 N -1.77 0.81 0.04 2.61 -4.23 -0.93 -0.40 115.64 111.77 3h14 s THR 356 Ca 0.44 -1.98 0.02 0.00 -1.18 0.00 0.00 61.69 58.99 3h14 s THR 356 Cb 0.28 -1.85 -0.02 0.00 1.34 0.00 0.00 72.50 72.24 3h14 s THR 356 CO 0.21 -0.72 -0.08 -0.76 -0.54 0.00 0.00 174.62 172.72 3h14 s LEU 357 N -3.11 2.26 -0.14 4.79 1.43 -0.34 -0.88 118.68 122.68 3h14 s LEU 357 Ca 0.17 -0.55 -0.01 0.00 -1.03 0.00 0.00 54.13 52.71 3h14 s LEU 357 Cb 0.05 -0.19 -0.01 0.00 0.03 0.00 0.00 46.19 46.07 3h14 s LEU 357 CO -0.01 -0.19 -0.12 -0.60 0.23 0.00 0.00 176.35 175.66 3h14 s ARG 358 N -1.58 3.39 -0.05 1.70 3.52 -0.04 -0.84 118.95 125.06 3h14 s ARG 358 Ca -0.09 -0.67 -0.03 0.00 -0.13 0.00 0.00 55.73 54.81 3h14 s ARG 358 Cb -0.10 -2.69 -0.04 0.00 -1.56 0.00 0.00 34.95 30.56 3h14 s ARG 358 CO 0.01 0.16 0.11 -0.06 -0.81 0.00 0.00 175.30 174.70 3h14 s PHE 359 N 0.50 3.42 -0.08 5.12 0.08 0.53 -2.23 117.98 125.32 3h14 s PHE 359 Ca -0.08 0.33 0.01 0.00 0.12 0.00 0.00 56.93 57.31 3h14 s PHE 359 Cb -0.16 -1.82 -0.03 0.00 -0.57 0.00 0.00 43.02 40.44 3h14 s PHE 359 CO 0.04 0.62 -0.09 0.45 -0.10 0.00 0.00 175.22 176.14 3h14 s SER 360 N -1.47 4.44 -0.30 1.36 0.15 -1.26 -0.85 113.70 115.76 3h14 s SER 360 Ca 0.20 -0.12 0.08 0.00 0.70 0.00 0.00 55.95 56.81 3h14 s SER 360 Cb -0.12 -1.25 0.46 0.00 -1.71 0.00 0.00 66.02 63.40 3h14 s SER 360 CO 0.11 0.30 1.33 0.00 1.20 0.00 0.00 173.24 176.18 3h14 n TYR 361 N 2.61 1.61 1.48 3.44 4.11 -0.00 -4.68 117.16 125.73 3h14 n TYR 361 Ca -0.18 -1.94 0.15 0.00 -0.00 0.00 0.00 57.90 55.94 3h14 n TYR 361 Cb 0.53 -0.44 0.78 0.00 -0.00 0.00 0.00 39.34 40.21 3h14 n TYR 361 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 3h14 n ALA 362 N -0.94 2.51 -1.95 -3.48 0.00 -1.26 -4.85 120.51 110.53 3h14 n ALA 362 Ca 0.36 -0.15 -0.27 0.00 0.00 0.00 0.00 53.44 53.38 3h14 n ALA 362 Cb 0.88 -1.49 0.13 0.00 0.00 0.00 0.00 19.45 18.97 3h14 n ALA 362 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3h14 s ARG 363 N -2.52 1.38 0.71 0.00 1.81 -1.26 -2.15 118.95 116.93 3h14 s ARG 363 Ca 0.30 -0.65 -0.16 0.00 -1.72 0.00 0.00 55.73 53.51 3h14 s ARG 363 Cb 0.20 -2.10 0.01 0.00 -0.45 0.00 0.00 34.95 32.61 3h14 s ARG 363 CO 0.45 -1.78 1.02 0.00 -0.68 0.00 0.00 175.30 174.31 3h14 n ALA 364 N -3.22 -0.04 -0.22 2.13 0.00 -1.26 -4.78 120.51 113.11 3h14 n ALA 364 Ca 0.14 -0.17 -0.01 0.00 0.00 0.00 0.00 53.44 53.40 3h14 n ALA 364 Cb 0.60 -2.15 0.21 0.00 0.00 0.00 0.00 19.45 18.11 3h14 n ALA 364 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3h14 h THR 365 N -0.18 1.21 -0.77 0.00 2.02 -1.95 -1.51 112.91 111.73 3h14 h THR 365 Ca -0.48 -0.46 0.01 0.00 0.77 0.00 0.00 66.41 66.25 3h14 h THR 365 Cb 1.33 0.16 -0.04 0.00 -1.74 0.00 0.00 68.15 67.87 3h14 h THR 365 CO 0.48 0.22 0.50 0.00 0.37 0.00 0.00 175.52 177.08 3h14 h ALA 366 N 1.47 1.43 -0.49 6.16 0.00 -1.99 0.97 119.26 126.80 3h14 h ALA 366 Ca 0.27 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 3h14 h ALA 366 Cb -0.04 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 3h14 h ALA 366 CO -0.05 0.52 0.15 -0.44 0.00 0.00 0.00 179.25 179.43 3h14 h ASP 367 N 1.04 0.72 -0.16 0.00 5.19 -1.64 -0.63 116.42 120.94 3h14 h ASP 367 Ca 0.28 -0.21 -0.02 0.00 -0.62 0.00 0.00 57.03 56.46 3h14 h ASP 367 Cb -0.10 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.21 3h14 h ASP 367 CO -0.06 0.74 0.03 0.40 -3.12 0.00 0.00 179.24 177.23 3h14 h ILE 368 N 0.67 1.22 -0.33 0.35 1.08 -0.85 0.26 117.51 119.90 3h14 h ILE 368 Ca 0.16 -0.69 0.07 0.00 -0.39 0.00 0.00 64.86 64.00 3h14 h ILE 368 Cb 0.28 1.36 -0.07 0.00 -3.07 0.00 0.00 36.82 35.33 3h14 h ILE 368 CO -0.00 0.21 -0.11 -0.33 -0.69 0.00 0.00 178.15 177.23 3h14 h GLU 369 N 0.06 -0.03 -0.78 2.37 5.08 -0.80 0.25 114.58 120.73 3h14 h GLU 369 Ca 0.05 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.44 3h14 h GLU 369 Cb 0.29 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 3h14 h GLU 369 CO 0.00 -0.02 0.50 1.49 -1.00 0.00 0.00 179.01 179.98 3h14 h GLU 370 N -0.04 0.96 -0.54 2.33 4.57 -0.94 -2.06 114.58 118.87 3h14 h GLU 370 Ca 0.16 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.28 3h14 h GLU 370 Cb 0.28 -0.22 -0.03 0.00 -0.16 0.00 0.00 28.75 28.63 3h14 h GLU 370 CO -0.36 0.64 0.32 0.78 -1.18 0.00 0.00 179.01 179.21 3h14 h GLY 371 N 0.99 0.79 1.38 1.92 0.00 0.41 -1.85 103.07 106.71 3h14 h GLY 371 Ca 0.30 -0.34 -0.08 0.00 0.00 0.00 0.00 47.33 47.22 3h14 h GLY 371 CO -0.10 0.33 -0.05 1.41 0.00 0.00 0.00 176.54 178.13 3h14 h LEU 372 N 0.73 0.73 -0.56 3.11 3.38 -0.79 -0.60 115.31 121.31 3h14 h LEU 372 Ca 0.19 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3h14 h LEU 372 Cb 0.01 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 3h14 h LEU 372 CO -0.03 0.83 0.30 0.44 0.09 0.00 0.00 178.44 180.07 3h14 h ASP 373 N 0.70 0.70 -0.58 -0.43 3.32 -1.15 -0.78 116.42 118.20 3h14 h ASP 373 Ca 0.13 -0.10 -0.05 0.00 0.02 0.00 0.00 57.03 57.03 3h14 h ASP 373 Cb 0.50 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 3h14 h ASP 373 CO 0.03 0.60 0.15 0.03 -1.72 0.00 0.00 179.24 178.32 3h14 h ARG 374 N 0.75 0.93 -0.07 3.56 3.08 -1.10 -1.80 114.38 119.73 3h14 h ARG 374 Ca 0.20 -0.22 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 3h14 h ARG 374 Cb 0.05 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 29.98 3h14 h ARG 374 CO -0.03 0.85 0.01 -0.07 -1.07 0.00 0.00 179.97 179.66 3h14 h LEU 375 N 0.84 0.12 -0.38 3.04 3.38 -0.90 -1.92 115.31 119.48 3h14 h LEU 375 Ca 0.18 -0.28 0.07 0.00 0.09 0.00 0.00 57.88 57.95 3h14 h LEU 375 Cb 0.33 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 40.99 3h14 h LEU 375 CO 0.00 0.36 -0.01 -0.33 0.09 0.00 0.00 178.44 178.55 3h14 h GLU 376 N -0.13 0.08 -0.70 1.13 5.08 -1.11 -2.28 114.58 116.66 3h14 h GLU 376 Ca 0.02 -0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.33 3h14 h GLU 376 Cb 0.30 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 3h14 h GLU 376 CO 0.00 0.05 0.25 0.00 -1.00 0.00 0.00 179.01 178.32 3h14 h ALA 377 N 1.34 1.12 0.00 3.43 0.00 -1.28 -1.25 119.26 122.63 3h14 h ALA 377 Ca 0.18 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3h14 h ALA 377 Cb 0.26 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3h14 h ALA 377 CO -0.32 0.61 0.00 0.34 0.00 0.00 0.00 179.25 179.88 3h14 n PHE 378 N -4.28 0.00 0.00 0.00 7.35 -0.73 -2.24 117.46 117.56 3h14 n PHE 378 Ca 0.06 -0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.75 3h14 n PHE 378 Cb 0.20 -0.04 0.00 0.00 0.35 0.00 0.00 39.48 39.99 3h14 n PHE 378 CO 0.00 0.00 0.00 0.94 -0.76 0.00 0.00 176.76 176.94 3h14 n GLN 380 N 0.34 0.00 0.22 -4.13 -0.06 -0.47 -1.41 117.38 111.87 3h14 n GLN 380 Ca 0.00 0.00 0.15 0.00 -2.00 0.00 0.00 57.00 55.15 3h14 n GLN 380 Cb 0.09 0.00 0.54 0.00 -4.06 0.00 0.00 30.24 26.80 3h14 n GLN 380 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3h14 h ALA 381 N 0.00 1.00 0.00 1.69 0.00 -1.72 -3.55 119.26 116.69 3h14 h ALA 381 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3h14 h ALA 381 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3h14 h ALA 381 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 179.25 177.12