#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s72 s PRO 2 N 0.00 2.53 0.50 1.97 0.02 -1.26 -4.93 135.00 133.84 1s72 s PRO 2 Ca 0.00 1.98 0.29 0.00 0.02 0.00 0.00 61.00 63.29 1s72 s PRO 2 Cb 0.00 -1.85 0.94 0.00 0.02 0.00 0.00 34.50 33.60 1s72 s PRO 2 CO 0.00 -1.59 1.83 0.00 -0.33 0.00 0.00 177.00 176.91 1s72 h ALA 3 N 0.44 1.00 -0.48 -1.55 0.00 -2.02 -2.94 119.26 113.71 1s72 h ALA 3 Ca -0.50 -0.01 0.14 0.00 0.00 0.00 0.00 54.91 54.54 1s72 h ALA 3 Cb 1.32 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 1s72 h ALA 3 CO 0.53 0.01 0.45 0.66 0.00 0.00 0.00 179.25 180.90 1s72 h SER 4 N 0.00 0.00 0.86 0.00 4.64 -2.01 0.27 113.55 117.31 1s72 h SER 4 Ca -0.00 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 1s72 h SER 4 Cb 0.72 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.80 1s72 h SER 4 CO 0.00 0.00 -0.45 0.24 -0.87 0.00 0.00 176.83 175.75 1s72 h MET 5 N 0.00 0.00 0.00 4.77 2.86 -1.90 -3.39 114.93 117.27 1s72 h MET 5 Ca 0.23 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.87 1s72 h MET 5 Cb 1.12 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.78 1s72 h MET 5 CO -0.00 0.45 0.00 0.66 1.06 0.00 0.00 176.91 179.08 1s72 n TYR 6 N -3.55 0.00 0.27 -0.22 4.02 0.66 -4.86 117.16 113.48 1s72 n TYR 6 Ca -0.00 0.00 0.14 0.00 -0.01 0.00 0.00 57.90 58.02 1s72 n TYR 6 Cb 0.56 0.00 0.75 0.00 -0.02 0.00 0.00 39.34 40.63 1s72 n TYR 6 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 176.86 175.92 1s72 h ARG 7 N 0.00 0.00 -7.03 -0.72 0.11 -0.99 -3.42 114.38 102.33 1s72 h ARG 7 Ca 0.00 0.00 -0.46 0.00 0.10 0.00 0.00 59.98 59.62 1s72 h ARG 7 Cb 0.23 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.30 1s72 h ARG 7 CO 0.00 0.10 0.30 -0.51 0.10 0.00 0.00 179.97 179.96 1s72 s ASP 8 N -6.07 6.79 -0.65 0.08 1.01 -1.26 -0.28 116.67 116.29 1s72 s ASP 8 Ca -0.03 1.55 0.01 0.00 0.71 0.00 0.00 52.55 54.79 1s72 s ASP 8 Cb 0.13 -2.49 0.39 0.00 1.01 0.00 0.00 42.92 41.96 1s72 s ASP 8 CO 0.57 -0.41 1.66 -0.38 0.21 0.00 0.00 175.17 176.83 1s72 n ILE 9 N -0.93 3.11 1.04 0.77 5.41 -1.26 -4.64 119.36 122.87 1s72 n ILE 9 Ca 0.06 -4.37 0.12 0.00 1.00 0.00 0.00 62.75 59.55 1s72 n ILE 9 Cb 0.54 -1.24 0.17 0.00 -0.71 0.00 0.00 39.64 38.40 1s72 n ILE 9 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1s72 n ASP 10 N -0.57 0.82 -4.94 4.38 5.75 -1.26 -4.93 116.55 115.80 1s72 n ASP 10 Ca 0.49 -0.63 -0.25 0.00 -0.01 0.00 0.00 54.79 54.40 1s72 n ASP 10 Cb 0.47 0.43 -0.02 0.00 -1.03 0.00 0.00 41.12 40.97 1s72 n ASP 10 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1s72 s LYS 11 N -2.88 3.50 0.88 0.11 1.02 -1.26 -5.07 119.74 116.04 1s72 s LYS 11 Ca 0.13 -0.36 -0.11 0.00 0.02 0.00 0.00 55.97 55.65 1s72 s LYS 11 Cb 0.17 -2.73 0.12 0.00 -0.52 0.00 0.00 37.83 34.87 1s72 s LYS 11 CO 0.70 0.25 1.14 -2.30 -0.92 0.00 0.00 175.35 174.22 1s72 n PRO 12 N -1.37 -0.20 -2.21 -1.68 -0.02 -1.26 -4.90 135.00 123.35 1s72 n PRO 12 Ca -0.05 0.01 -0.42 0.00 -2.02 0.00 0.00 63.50 61.03 1s72 n PRO 12 Cb 0.55 -2.38 -0.03 0.00 -0.02 0.00 0.00 33.50 31.63 1s72 n PRO 12 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1s72 s ALA 13 N -2.42 3.55 -0.52 3.55 0.00 -1.26 -4.95 121.76 119.70 1s72 s ALA 13 Ca 0.69 1.09 0.04 0.00 0.00 0.00 0.00 51.96 53.77 1s72 s ALA 13 Cb -0.25 -3.51 0.16 0.00 0.00 0.00 0.00 23.12 19.52 1s72 s ALA 13 CO 0.56 -0.56 0.35 -0.47 0.00 0.00 0.00 175.76 175.64 1s72 s TYR 14 N 0.71 2.31 0.00 0.00 5.04 -1.26 -4.92 117.35 119.22 1s72 s TYR 14 Ca 0.61 -2.73 0.00 0.00 -2.44 0.00 0.00 57.07 52.51 1s72 s TYR 14 Cb -0.36 -1.92 0.00 0.00 0.35 0.00 0.00 41.96 40.03 1s72 s TYR 14 CO 0.33 -0.71 0.24 0.25 -1.34 0.00 0.00 175.55 174.32 1s72 n THR 15 N 2.80 0.02 -2.40 4.34 -2.24 -1.26 -1.35 114.28 114.19 1s72 n THR 15 Ca 0.18 -0.23 -0.38 0.00 -2.27 0.00 0.00 64.05 61.35 1s72 n THR 15 Cb 0.38 1.53 -0.03 0.00 -2.10 0.00 0.00 70.33 70.11 1s72 n THR 15 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1s72 s ARG 16 N -0.02 3.16 0.24 -0.78 1.81 -1.26 -4.85 118.95 117.24 1s72 s ARG 16 Ca 0.00 -0.45 0.17 0.00 -1.72 0.00 0.00 55.73 53.73 1s72 s ARG 16 Cb 0.00 -4.78 0.90 0.00 -0.45 0.00 0.00 34.95 30.62 1s72 s ARG 16 CO 0.00 -2.45 1.53 0.54 -0.68 0.00 0.00 175.30 174.25 1s72 n ARG 17 N 9.09 0.12 0.17 3.54 1.74 -1.26 -1.17 116.66 128.88 1s72 n ARG 17 Ca 0.22 0.56 0.13 0.00 -0.77 0.00 0.00 57.85 58.00 1s72 n ARG 17 Cb 0.50 -1.84 0.45 0.00 -1.02 0.00 0.00 32.46 30.55 1s72 n ARG 17 CO 0.00 0.00 0.00 1.05 -1.52 0.00 0.00 177.63 177.16 1s72 h GLU 18 N 0.00 0.00 0.00 5.56 9.09 -2.05 -3.18 114.58 124.00 1s72 h GLU 18 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1s72 h GLU 18 Cb 0.06 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.16 1s72 h GLU 18 CO 0.00 0.00 0.00 0.66 0.05 0.00 0.00 179.01 179.72 1s72 n TYR 19 N -2.55 0.00 -4.02 2.06 4.02 -0.32 -5.00 117.16 111.37 1s72 n TYR 19 Ca 0.03 -0.23 -0.26 0.00 -0.01 0.00 0.00 57.90 57.43 1s72 n TYR 19 Cb 0.36 -0.02 -0.17 0.00 -0.02 0.00 0.00 39.34 39.48 1s72 n TYR 19 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1s72 s ILE 20 N -0.46 0.96 0.35 -0.72 1.01 -1.02 -5.08 121.20 116.24 1s72 s ILE 20 Ca 0.00 -0.27 0.09 0.00 0.00 0.00 0.00 60.65 60.47 1s72 s ILE 20 Cb 0.00 -0.97 -0.06 0.00 0.01 0.00 0.00 42.46 41.44 1s72 s ILE 20 CO 0.00 0.35 0.02 0.42 0.00 0.00 0.00 174.94 175.73 1s72 s THR 21 N 1.52 2.57 -0.98 2.92 -4.23 -1.26 -4.65 115.64 111.54 1s72 s THR 21 Ca 0.01 -1.95 -0.03 0.00 -1.18 0.00 0.00 61.69 58.53 1s72 s THR 21 Cb -0.13 -2.82 0.00 0.00 1.34 0.00 0.00 72.50 70.89 1s72 s THR 21 CO -0.06 -0.18 0.42 0.61 -0.54 0.00 0.00 174.62 174.88 1s72 n GLY 22 N -0.97 -0.07 3.67 3.99 0.00 -1.26 -4.84 105.19 105.70 1s72 n GLY 22 Ca -0.04 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 1s72 n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s72 s ILE 23 N -2.97 4.78 0.64 -0.61 1.01 -1.26 -4.82 121.20 117.98 1s72 s ILE 23 Ca 0.21 1.86 -0.18 0.00 0.00 0.00 0.00 60.65 62.55 1s72 s ILE 23 Cb -0.09 -4.24 -0.02 0.00 0.01 0.00 0.00 42.46 38.12 1s72 s ILE 23 CO 0.26 -0.06 1.17 -2.65 0.00 0.00 0.00 174.94 173.66 1s72 n PRO 24 N 5.61 0.98 -1.43 2.79 -0.02 -1.26 -4.97 135.00 136.70 1s72 n PRO 24 Ca 0.08 0.39 -0.31 0.00 -2.02 0.00 0.00 63.50 61.64 1s72 n PRO 24 Cb 0.48 -2.40 0.07 0.00 -0.02 0.00 0.00 33.50 31.63 1s72 n PRO 24 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1s72 s GLY 25 N -1.38 1.75 0.31 -1.23 0.00 -1.26 -4.84 107.32 100.67 1s72 s GLY 25 Ca 0.80 0.26 -0.27 0.00 0.00 0.00 0.00 44.72 45.51 1s72 s GLY 25 CO 0.43 0.59 0.98 -0.45 0.00 0.00 0.00 173.10 174.65 1s72 s SER 26 N -3.38 7.33 0.00 1.64 0.15 -1.26 -4.96 113.70 113.23 1s72 s SER 26 Ca 0.61 1.95 0.26 0.00 0.70 0.00 0.00 55.95 59.47 1s72 s SER 26 Cb -0.17 -2.59 0.69 0.00 -1.71 0.00 0.00 66.02 62.24 1s72 s SER 26 CO 0.53 -0.08 1.53 0.29 1.20 0.00 0.00 173.24 176.71 1s72 n LYS 27 N 0.80 0.57 -2.09 5.44 5.02 -1.26 -4.85 118.16 121.79 1s72 n LYS 27 Ca 0.01 -0.33 -0.43 0.00 -2.02 0.00 0.00 58.31 55.54 1s72 n LYS 27 Cb 0.49 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.98 1s72 n LYS 27 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1s72 s ILE 28 N -2.66 3.69 0.04 -0.18 1.01 -1.26 -4.82 121.20 117.02 1s72 s ILE 28 Ca 0.20 0.81 -0.19 0.00 0.00 0.00 0.00 60.65 61.47 1s72 s ILE 28 Cb 0.19 -3.62 -0.17 0.00 0.01 0.00 0.00 42.46 38.87 1s72 s ILE 28 CO 0.58 -0.18 1.26 0.00 0.00 0.00 0.00 174.94 176.60 1s72 h ALA 29 N 10.10 0.21 -2.57 9.38 0.00 -1.94 -3.47 119.26 130.96 1s72 h ALA 29 Ca -0.35 -0.43 -0.09 0.00 0.00 0.00 0.00 54.91 54.03 1s72 h ALA 29 Cb 1.16 -0.03 -0.16 0.00 0.00 0.00 0.00 17.79 18.76 1s72 h ALA 29 CO 0.98 0.26 -0.28 -0.65 0.00 0.00 0.00 179.25 179.56 1s72 s GLN 30 N -3.88 0.82 -0.00 0.00 -0.21 -1.26 -5.04 119.66 110.09 1s72 s GLN 30 Ca -0.14 -0.61 0.08 0.00 0.02 0.00 0.00 55.36 54.71 1s72 s GLN 30 Cb 0.05 0.35 -0.10 0.00 1.00 0.00 0.00 33.01 34.31 1s72 s GLN 30 CO 0.79 -0.26 0.31 0.72 -2.12 0.00 0.00 175.29 174.73 1s72 n HIS 31 N 0.43 0.00 -4.00 0.91 8.25 -1.26 -4.89 115.22 114.66 1s72 n HIS 31 Ca -0.18 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 56.98 1s72 n HIS 31 Cb 0.60 -0.05 -0.16 0.00 1.12 0.00 0.00 29.99 31.50 1s72 n HIS 31 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1s72 s LYS 32 N -1.97 2.12 0.37 -0.41 1.02 -1.26 -1.56 119.74 118.05 1s72 s LYS 32 Ca 0.02 -0.58 0.08 0.00 0.02 0.00 0.00 55.97 55.50 1s72 s LYS 32 Cb 0.06 -2.11 -0.07 0.00 -0.52 0.00 0.00 37.83 35.19 1s72 s LYS 32 CO 0.34 -0.29 -0.03 -1.64 -0.92 0.00 0.00 175.35 172.81 1s72 s MET 33 N 1.50 1.86 4.04 1.68 -1.94 -0.16 -4.95 119.30 121.33 1s72 s MET 33 Ca 0.04 -2.01 0.00 0.00 -1.71 0.00 0.00 55.69 52.00 1s72 s MET 33 Cb -0.14 -1.59 0.00 0.00 2.01 0.00 0.00 34.83 35.11 1s72 s MET 33 CO -0.10 0.02 0.00 0.41 -0.01 0.00 0.00 175.02 175.34 1s72 n GLY 34 N -0.86 0.38 3.38 -0.03 0.00 -1.26 -2.00 105.19 104.80 1s72 n GLY 34 Ca -0.05 -0.95 -0.46 0.00 0.00 0.00 0.00 46.02 44.57 1s72 n GLY 34 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s72 s ARG 35 N 0.00 3.73 0.07 1.61 0.52 -0.04 -4.86 118.95 119.98 1s72 s ARG 35 Ca 0.00 -2.37 0.21 0.00 -0.52 0.00 0.00 55.73 53.05 1s72 s ARG 35 Cb 0.00 -4.65 0.87 0.00 0.52 0.00 0.00 34.95 31.69 1s72 s ARG 35 CO 0.00 -1.47 1.67 0.36 0.02 0.00 0.00 175.30 175.88 1s72 n LYS 36 N 4.70 0.06 0.12 3.54 2.85 -1.26 -2.46 118.16 125.70 1s72 n LYS 36 Ca 0.20 0.21 -0.02 0.00 -1.05 0.00 0.00 58.31 57.65 1s72 n LYS 36 Cb 0.46 -1.60 0.09 0.00 -0.65 0.00 0.00 35.03 33.33 1s72 n LYS 36 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 177.40 179.31 1s72 h GLN 37 N 0.00 0.00 -7.47 -1.58 4.20 -1.97 -3.45 115.11 104.84 1s72 h GLN 37 Ca 0.00 0.00 -0.47 0.00 0.06 0.00 0.00 58.65 58.24 1s72 h GLN 37 Cb 0.39 0.00 0.09 0.00 0.30 0.00 0.00 27.48 28.26 1s72 h GLN 37 CO 0.00 0.70 0.34 0.21 -0.67 0.00 0.00 178.83 179.41 1s72 s LYS 38 N -3.28 2.20 0.00 1.46 2.20 -1.03 -5.08 119.74 116.21 1s72 s LYS 38 Ca -0.00 0.02 0.03 0.00 -0.36 0.00 0.00 55.97 55.66 1s72 s LYS 38 Cb 0.11 -2.05 -0.03 0.00 -1.51 0.00 0.00 37.83 34.35 1s72 s LYS 38 CO 0.77 -1.36 -0.07 -0.51 -0.36 0.00 0.00 175.35 173.82 1s72 s ASP 39 N -4.52 4.57 0.50 1.43 1.01 -1.26 -5.01 116.67 113.39 1s72 s ASP 39 Ca 0.60 -0.16 0.30 0.00 0.71 0.00 0.00 52.55 54.00 1s72 s ASP 39 Cb -0.11 -1.05 1.39 0.00 1.01 0.00 0.00 42.92 44.16 1s72 s ASP 39 CO 0.48 0.28 1.81 0.00 0.21 0.00 0.00 175.17 177.95 1s72 h ALA 40 N 4.54 2.78 0.00 5.23 0.00 -1.97 0.13 119.26 129.98 1s72 h ALA 40 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1s72 h ALA 40 Cb 1.17 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1s72 h ALA 40 CO 0.53 -1.13 0.00 -0.44 0.00 0.00 0.00 179.25 178.22 1s72 h ASP 41 N 0.13 0.00 0.00 0.00 3.32 -2.01 -2.89 116.42 114.97 1s72 h ASP 41 Ca 0.55 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.60 1s72 h ASP 41 Cb 1.91 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.46 1s72 h ASP 41 CO -0.10 0.00 0.00 0.47 -1.72 0.00 0.00 179.24 177.89 1s72 n ASP 42 N -3.08 0.00 -4.50 6.45 8.00 0.47 -4.74 116.55 119.15 1s72 n ASP 42 Ca 0.01 -0.66 -0.31 0.00 0.71 0.00 0.00 54.79 54.53 1s72 n ASP 42 Cb 0.30 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 41.28 1s72 n ASP 42 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1s72 s TYR 43 N -2.00 2.67 0.12 1.24 1.51 -1.09 -5.03 117.35 114.76 1s72 s TYR 43 Ca 0.22 -0.19 -0.08 0.00 -1.01 0.00 0.00 57.07 56.02 1s72 s TYR 43 Cb 0.10 -1.51 -0.12 0.00 -0.11 0.00 0.00 41.96 40.32 1s72 s TYR 43 CO 0.17 0.29 1.29 -1.35 -1.11 0.00 0.00 175.55 174.84 1s72 h PRO 44 N 4.49 0.53 -6.16 -1.71 0.11 -1.85 -3.46 132.00 123.96 1s72 h PRO 44 Ca -0.48 -0.54 -0.69 0.00 0.11 0.00 0.00 66.00 64.41 1s72 h PRO 44 Cb 1.16 0.15 -0.20 0.00 0.11 0.00 0.00 31.00 32.21 1s72 h PRO 44 CO 0.50 1.17 -0.72 0.08 -0.21 0.00 0.00 178.00 178.82 1s72 s VAL 45 N -3.37 3.51 -0.08 3.15 1.01 -0.45 -4.23 120.40 119.93 1s72 s VAL 45 Ca -0.07 -0.55 -0.02 0.00 0.00 0.00 0.00 61.98 61.34 1s72 s VAL 45 Cb 0.08 -2.42 0.03 0.00 0.00 0.00 0.00 36.38 34.08 1s72 s VAL 45 CO 0.88 0.59 0.02 -1.58 0.00 0.00 0.00 175.10 175.02 1s72 s GLN 46 N -0.74 0.42 -0.08 2.72 0.74 -1.16 -1.13 119.66 120.43 1s72 s GLN 46 Ca 0.11 0.10 0.04 0.00 0.05 0.00 0.00 55.36 55.66 1s72 s GLN 46 Cb -0.11 -1.04 0.00 0.00 1.10 0.00 0.00 33.01 32.97 1s72 s GLN 46 CO 0.01 -0.37 -0.19 0.42 -0.55 0.00 0.00 175.29 174.61 1s72 s ILE 47 N 2.02 1.65 0.08 -2.34 1.01 -0.35 -0.03 121.20 123.23 1s72 s ILE 47 Ca 0.04 -0.80 0.07 0.00 0.00 0.00 0.00 60.65 59.97 1s72 s ILE 47 Cb -0.13 -1.44 -0.04 0.00 0.01 0.00 0.00 42.46 40.86 1s72 s ILE 47 CO -0.05 0.47 -0.16 -0.44 0.00 0.00 0.00 174.94 174.76 1s72 s SER 48 N 0.35 4.01 -0.30 3.58 0.01 0.17 0.01 113.70 121.54 1s72 s SER 48 Ca -0.14 -0.44 -0.13 0.00 1.31 0.00 0.00 55.95 56.55 1s72 s SER 48 Cb -0.16 -0.67 -0.04 0.00 0.21 0.00 0.00 66.02 65.37 1s72 s SER 48 CO 0.06 0.21 0.26 -0.22 0.41 0.00 0.00 173.24 173.96 1s72 s LEU 49 N -1.84 4.18 -0.15 2.44 2.96 0.53 -0.46 118.68 126.33 1s72 s LEU 49 Ca 0.17 -0.07 -0.05 0.00 -0.22 0.00 0.00 54.13 53.96 1s72 s LEU 49 Cb -0.11 -2.21 -0.04 0.00 0.50 0.00 0.00 46.19 44.34 1s72 s LEU 49 CO 0.09 -0.15 0.02 -0.63 -1.32 0.00 0.00 176.35 174.36 1s72 s ILE 50 N 1.84 4.45 0.07 6.68 1.01 0.44 -0.95 121.20 134.74 1s72 s ILE 50 Ca 0.09 -0.16 -0.30 0.00 0.00 0.00 0.00 60.65 60.27 1s72 s ILE 50 Cb -0.16 -2.96 -0.05 0.00 0.01 0.00 0.00 42.46 39.30 1s72 s ILE 50 CO 0.11 0.51 0.97 -0.69 0.00 0.00 0.00 174.94 175.83 1s72 s VAL 51 N 0.06 4.64 -1.70 2.92 1.01 -0.42 -0.94 120.40 125.98 1s72 s VAL 51 Ca 0.03 2.06 0.23 0.00 0.00 0.00 0.00 61.98 64.30 1s72 s VAL 51 Cb -0.13 -4.32 -0.05 0.00 0.00 0.00 0.00 36.38 31.88 1s72 s VAL 51 CO 0.02 0.26 1.08 -0.62 0.00 0.00 0.00 175.10 175.84 1s72 n GLU 52 N 3.20 0.81 -3.98 2.72 1.02 -0.96 0.16 120.64 123.61 1s72 n GLU 52 Ca 0.04 -0.65 -0.13 0.00 -0.02 0.00 0.00 57.16 56.40 1s72 n GLU 52 Cb 0.50 -1.49 -0.14 0.00 -0.02 0.00 0.00 31.44 30.30 1s72 n GLU 52 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1s72 s GLU 53 N -2.64 0.18 0.09 3.49 2.02 -1.26 -4.61 118.70 115.97 1s72 s GLU 53 Ca 0.16 -0.16 -0.31 0.00 0.02 0.00 0.00 54.97 54.68 1s72 s GLU 53 Cb 0.18 -0.12 -0.08 0.00 0.10 0.00 0.00 34.13 34.21 1s72 s GLU 53 CO 0.66 0.03 1.44 0.99 0.02 0.00 0.00 175.26 178.40 1s72 s THR 54 N -0.26 3.29 0.34 3.63 2.01 -1.26 -4.05 115.64 119.34 1s72 s THR 54 Ca -0.02 0.86 -0.15 0.00 0.31 0.00 0.00 61.69 62.69 1s72 s THR 54 Cb -0.02 -3.55 0.03 0.00 0.01 0.00 0.00 72.50 68.97 1s72 s THR 54 CO -0.00 0.04 0.71 0.68 -0.69 0.00 0.00 174.62 175.36 1s72 s VAL 55 N 1.59 0.00 -0.12 3.82 -7.23 -0.40 -4.85 120.40 113.21 1s72 s VAL 55 Ca 0.66 -1.11 -0.01 0.00 -1.81 0.00 0.00 61.98 59.72 1s72 s VAL 55 Cb -0.37 -2.56 -0.02 0.00 0.56 0.00 0.00 36.38 33.99 1s72 s VAL 55 CO 0.30 0.00 -0.10 -1.10 -0.31 0.00 0.00 175.10 173.89 1s72 s GLN 56 N -2.98 3.30 -0.25 4.82 -0.21 0.62 -1.08 119.66 123.89 1s72 s GLN 56 Ca 0.17 -0.63 0.01 0.00 0.02 0.00 0.00 55.36 54.93 1s72 s GLN 56 Cb -0.04 -2.68 0.04 0.00 1.00 0.00 0.00 33.01 31.33 1s72 s GLN 56 CO 0.11 0.32 -0.10 -0.51 -2.12 0.00 0.00 175.29 172.99 1s72 s LEU 57 N 0.11 3.18 0.61 2.90 1.43 0.49 -4.46 118.68 122.94 1s72 s LEU 57 Ca -0.04 -1.08 -0.19 0.00 -1.03 0.00 0.00 54.13 51.79 1s72 s LEU 57 Cb -0.14 -1.59 -0.03 0.00 0.03 0.00 0.00 46.19 44.46 1s72 s LEU 57 CO 0.04 -0.14 1.25 -0.13 0.23 0.00 0.00 176.35 177.60 1s72 s ARG 58 N 1.22 2.84 0.62 1.70 0.52 -1.26 -0.42 118.95 124.17 1s72 s ARG 58 Ca -0.03 1.95 0.32 0.00 -0.52 0.00 0.00 55.73 57.45 1s72 s ARG 58 Cb -0.18 -1.93 1.79 0.00 0.52 0.00 0.00 34.95 35.15 1s72 s ARG 58 CO -0.06 -1.34 2.12 1.12 0.02 0.00 0.00 175.30 177.16 1s72 h HIS 59 N 0.83 0.00 -0.20 -0.53 2.07 -1.64 0.21 115.15 115.89 1s72 h HIS 59 Ca -0.51 0.00 -0.12 0.00 -2.85 0.00 0.00 60.37 56.89 1s72 h HIS 59 Cb 1.31 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.28 1s72 h HIS 59 CO 0.45 0.00 -0.40 0.78 -3.07 0.00 0.00 177.93 175.69 1s72 h GLY 60 N 0.00 0.49 1.30 6.13 0.00 -1.89 -2.44 103.07 106.66 1s72 h GLY 60 Ca 0.06 -0.48 -0.26 0.00 0.00 0.00 0.00 47.33 46.64 1s72 h GLY 60 CO -0.00 0.43 -1.05 1.76 0.00 0.00 0.00 176.54 177.68 1s72 h SER 61 N 0.38 0.81 -0.23 0.19 0.02 -0.91 -2.37 113.55 111.44 1s72 h SER 61 Ca 0.03 -0.67 0.02 0.00 -0.84 0.00 0.00 61.79 60.33 1s72 h SER 61 Cb 0.87 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 63.14 1s72 h SER 61 CO 0.07 1.47 0.10 -0.07 -1.14 0.00 0.00 176.83 177.26 1s72 h LEU 62 N 0.34 0.14 0.16 5.07 -0.00 -1.39 0.03 115.31 119.66 1s72 h LEU 62 Ca -0.13 0.01 -0.01 0.00 -0.00 0.00 0.00 57.88 57.76 1s72 h LEU 62 Cb 1.71 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 42.35 1s72 h LEU 62 CO 0.20 0.12 -0.08 -0.08 -0.00 0.00 0.00 178.44 178.60 1s72 h GLU 63 N 0.22 -0.21 -0.89 1.13 4.57 -1.47 0.30 114.58 118.24 1s72 h GLU 63 Ca 0.09 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.29 1s72 h GLU 63 Cb 0.04 0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.63 1s72 h GLU 63 CO -0.07 -0.12 0.57 0.00 -1.18 0.00 0.00 179.01 178.21 1s72 h ALA 64 N 0.61 1.13 -0.09 2.92 0.00 -1.27 0.37 119.26 122.92 1s72 h ALA 64 Ca -0.02 -0.07 -0.18 0.00 0.00 0.00 0.00 54.91 54.63 1s72 h ALA 64 Cb 0.18 -0.36 0.01 0.00 0.00 0.00 0.00 17.79 17.62 1s72 h ALA 64 CO 0.04 0.55 -0.64 0.66 0.00 0.00 0.00 179.25 179.86 1s72 h SER 65 N 1.21 0.73 -0.17 0.00 4.64 -0.82 -1.52 113.55 117.61 1s72 h SER 65 Ca 0.32 -0.66 -0.01 0.00 -0.47 0.00 0.00 61.79 60.98 1s72 h SER 65 Cb -0.11 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 61.76 1s72 h SER 65 CO -0.07 1.28 0.09 -0.09 -0.87 0.00 0.00 176.83 177.17 1s72 h ARG 66 N 0.23 0.24 0.12 4.77 2.43 -0.19 -2.04 114.38 119.93 1s72 h ARG 66 Ca -0.05 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.10 1s72 h ARG 66 Cb 1.29 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.75 1s72 h ARG 66 CO 0.13 0.27 -0.37 1.25 -1.51 0.00 0.00 179.97 179.74 1s72 h LEU 67 N 0.16 -1.09 -1.98 3.80 5.85 -0.27 0.49 115.31 122.28 1s72 h LEU 67 Ca 0.06 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.90 1s72 h LEU 67 Cb 0.10 0.41 0.00 0.00 0.37 0.00 0.00 40.66 41.54 1s72 h LEU 67 CO -0.01 -0.45 0.00 0.77 -0.34 0.00 0.00 178.44 178.41 1s72 h SER 68 N -0.60 0.00 0.00 1.25 4.64 -1.18 0.34 113.55 118.00 1s72 h SER 68 Ca 0.03 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.19 1s72 h SER 68 Cb 0.63 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.70 1s72 h SER 68 CO -0.22 0.00 -0.93 0.00 -0.87 0.00 0.00 176.83 174.81 1s72 h ALA 69 N 2.03 0.18 -0.15 5.18 0.00 -0.57 -3.32 119.26 122.62 1s72 h ALA 69 Ca 0.00 -0.97 -0.11 0.00 0.00 0.00 0.00 54.91 53.83 1s72 h ALA 69 Cb 0.14 0.57 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1s72 h ALA 69 CO 0.00 0.55 -0.38 -0.97 0.00 0.00 0.00 179.25 178.45 1s72 h ASN 70 N -1.00 0.35 0.26 0.00 -0.00 -0.75 -1.99 115.58 112.45 1s72 h ASN 70 Ca -0.24 -0.14 -0.01 0.00 -0.00 0.00 0.00 56.30 55.91 1s72 h ASN 70 Cb 1.11 -0.10 -0.00 0.00 -0.00 0.00 0.00 38.32 39.33 1s72 h ASN 70 CO -0.14 0.70 -0.03 -0.09 -0.00 0.00 0.00 177.43 177.87 1s72 h ARG 71 N 0.28 0.00 0.00 6.67 2.43 -0.50 -0.21 114.38 123.06 1s72 h ARG 71 Ca 0.03 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.07 1s72 h ARG 71 Cb 0.80 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.33 1s72 h ARG 71 CO 0.06 0.03 -0.77 1.25 -1.51 0.00 0.00 179.97 179.03 1s72 h HIS 72 N 0.00 0.00 -0.87 2.20 2.76 -1.48 -2.99 115.15 114.77 1s72 h HIS 72 Ca -0.00 0.00 0.15 0.00 -2.20 0.00 0.00 60.37 58.32 1s72 h HIS 72 Cb 0.16 0.00 -0.07 0.00 1.55 0.00 0.00 27.41 29.06 1s72 h HIS 72 CO 0.00 1.13 0.56 -0.07 -1.30 0.00 0.00 177.93 178.25 1s72 h LEU 73 N -1.00 0.59 -0.52 0.26 3.38 -1.07 0.16 115.31 117.10 1s72 h LEU 73 Ca -0.20 0.04 -0.14 0.00 0.09 0.00 0.00 57.88 57.67 1s72 h LEU 73 Cb 1.07 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 1s72 h LEU 73 CO -0.12 0.29 -0.27 0.40 0.09 0.00 0.00 178.44 178.83 1s72 h ILE 74 N 0.62 1.27 0.00 1.22 2.04 -1.17 0.20 117.51 121.69 1s72 h ILE 74 Ca 0.44 -1.43 -0.08 0.00 1.00 0.00 0.00 64.86 64.79 1s72 h ILE 74 Cb 0.79 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 38.09 1s72 h ILE 74 CO -0.19 0.48 -0.38 0.50 0.00 0.00 0.00 178.15 178.56 1s72 h LYS 75 N 0.77 0.00 0.00 2.37 3.64 -0.65 0.29 116.57 122.99 1s72 h LYS 75 Ca 0.09 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 59.15 1s72 h LYS 75 Cb 0.84 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.60 1s72 h LYS 75 CO 0.07 0.38 -2.18 0.39 -2.27 0.00 0.00 179.45 175.85 1s72 n GLU 76 N -3.52 0.67 0.00 1.90 -0.58 0.24 -4.48 120.64 114.87 1s72 n GLU 76 Ca -0.00 0.05 0.04 0.00 -0.42 0.00 0.00 57.16 56.83 1s72 n GLU 76 Cb 0.52 -1.59 0.01 0.00 -0.57 0.00 0.00 31.44 29.81 1s72 n GLU 76 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1s72 n LEU 77 N -2.78 1.30 0.00 -4.62 4.77 0.68 -5.08 117.00 111.26 1s72 n LEU 77 Ca -0.27 -0.85 0.00 0.00 -0.03 0.00 0.00 56.01 54.86 1s72 n LEU 77 Cb 1.08 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.17 1s72 n LEU 77 CO 0.44 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.37 1s72 n GLY 78 N 0.68 -0.90 0.50 -0.72 0.00 0.10 -3.04 105.19 101.81 1s72 n GLY 78 Ca 0.04 -1.47 0.29 0.00 0.00 0.00 0.00 46.02 44.88 1s72 n GLY 78 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1s72 h GLU 79 N 0.00 0.00 -0.37 1.61 5.08 -1.90 0.33 114.58 119.33 1s72 h GLU 79 Ca 0.00 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.08 1s72 h GLU 79 Cb 0.00 0.00 -0.29 0.00 0.50 0.00 0.00 28.75 28.96 1s72 h GLU 79 CO 0.00 0.00 -0.80 0.39 -1.00 0.00 0.00 179.01 177.60 1s72 n GLU 80 N -3.56 2.22 -0.71 2.33 1.02 -1.26 -4.98 120.64 115.70 1s72 n GLU 80 Ca 0.20 -3.52 -0.32 0.00 -0.02 0.00 0.00 57.16 53.51 1s72 n GLU 80 Cb 1.25 -1.67 0.16 0.00 -0.02 0.00 0.00 31.44 31.16 1s72 n GLU 80 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1s72 n GLY 81 N -0.66 -1.21 3.48 0.62 0.00 0.12 -4.88 105.19 102.65 1s72 n GLY 81 Ca 0.25 -0.76 -0.44 0.00 0.00 0.00 0.00 46.02 45.07 1s72 n GLY 81 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1s72 s ASP 82 N -2.35 6.98 0.09 1.61 2.15 -1.26 -4.54 116.67 119.34 1s72 s ASP 82 Ca 0.63 -2.78 -0.27 0.00 0.43 0.00 0.00 52.55 50.56 1s72 s ASP 82 Cb -0.22 -2.43 0.08 0.00 -0.30 0.00 0.00 42.92 40.05 1s72 s ASP 82 CO 0.62 -0.85 0.93 -0.72 -0.17 0.00 0.00 175.17 174.98 1s72 s TYR 83 N 2.12 -0.22 -0.14 -5.34 -0.85 -1.26 -4.43 117.35 107.23 1s72 s TYR 83 Ca 0.43 -0.01 -0.07 0.00 -0.52 0.00 0.00 57.07 56.90 1s72 s TYR 83 Cb -0.02 0.60 0.06 0.00 0.38 0.00 0.00 41.96 42.97 1s72 s TYR 83 CO -0.00 -0.70 0.33 -1.59 -1.52 0.00 0.00 175.55 172.06 1s72 s LYS 84 N -3.21 0.29 -0.03 -3.49 -2.85 -0.88 -0.86 119.74 108.71 1s72 s LYS 84 Ca 0.09 0.70 0.06 0.00 -1.00 0.00 0.00 55.97 55.83 1s72 s LYS 84 Cb -0.01 -0.04 -0.02 0.00 -2.06 0.00 0.00 37.83 35.70 1s72 s LYS 84 CO -0.03 -0.18 -0.22 1.41 0.10 0.00 0.00 175.35 176.43 1s72 s MET 85 N 1.55 2.29 -0.07 1.78 1.75 -0.85 -0.09 119.30 125.66 1s72 s MET 85 Ca -0.08 -0.85 0.04 0.00 -1.25 0.00 0.00 55.69 53.55 1s72 s MET 85 Cb -0.10 -2.16 0.00 0.00 2.84 0.00 0.00 34.83 35.41 1s72 s MET 85 CO -0.11 0.56 -0.19 0.99 -0.65 0.00 0.00 175.02 175.62 1s72 s THR 86 N -0.59 1.65 -0.51 10.11 2.01 0.83 -0.99 115.64 128.16 1s72 s THR 86 Ca 0.09 -0.80 -0.15 0.00 0.31 0.00 0.00 61.69 61.14 1s72 s THR 86 Cb -0.11 -1.44 0.11 0.00 0.01 0.00 0.00 72.50 71.07 1s72 s THR 86 CO 0.00 0.47 0.44 -0.22 -0.69 0.00 0.00 174.62 174.62 1s72 s LEU 87 N 0.33 5.91 0.00 4.42 2.96 -0.60 -1.07 118.68 130.63 1s72 s LEU 87 Ca -0.13 -1.64 0.27 0.00 -0.22 0.00 0.00 54.13 52.41 1s72 s LEU 87 Cb -0.16 -2.17 1.18 0.00 0.50 0.00 0.00 46.19 45.54 1s72 s LEU 87 CO 0.06 -0.76 1.88 -2.11 -1.32 0.00 0.00 176.35 174.09 1s72 n ARG 88 N 5.19 0.01 -3.94 1.98 1.85 -0.87 -4.82 116.66 116.06 1s72 n ARG 88 Ca -0.13 0.03 -0.25 0.00 -1.00 0.00 0.00 57.85 56.50 1s72 n ARG 88 Cb 0.41 -1.50 -0.03 0.00 -1.05 0.00 0.00 32.46 30.30 1s72 n ARG 88 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 1s72 s LYS 89 N -2.98 3.44 -0.01 2.89 -0.14 -1.26 -5.12 119.74 116.56 1s72 s LYS 89 Ca 0.14 -0.62 0.04 0.00 -1.36 0.00 0.00 55.97 54.17 1s72 s LYS 89 Cb 0.18 -2.95 -0.01 0.00 -1.68 0.00 0.00 37.83 33.37 1s72 s LYS 89 CO 0.50 0.50 -0.12 -0.06 -0.76 0.00 0.00 175.35 175.41 1s72 s PHE 90 N -1.78 1.11 -1.09 3.18 0.40 -1.26 -5.08 117.98 113.46 1s72 s PHE 90 Ca 0.35 -0.21 -0.22 0.00 -0.60 0.00 0.00 56.93 56.24 1s72 s PHE 90 Cb -0.11 -0.72 -0.02 0.00 0.51 0.00 0.00 43.02 42.69 1s72 s PHE 90 CO 0.29 -0.02 1.80 -1.25 0.70 0.00 0.00 175.22 176.73 1s72 s PRO 91 N -0.27 3.03 0.00 0.24 0.04 -1.26 -4.50 135.00 132.28 1s72 s PRO 91 Ca 0.04 -1.05 0.00 0.00 0.04 0.00 0.00 61.00 60.03 1s72 s PRO 91 Cb -0.05 -5.27 -0.26 0.00 0.04 0.00 0.00 34.50 28.96 1s72 s PRO 91 CO -0.00 -3.10 0.85 0.45 0.04 0.00 0.00 177.00 175.24 1s72 h HIS 92 N 9.80 0.34 -2.77 0.56 3.86 -1.84 -3.39 115.15 121.73 1s72 h HIS 92 Ca 0.22 -0.25 -0.55 0.00 -1.16 0.00 0.00 60.37 58.63 1s72 h HIS 92 Cb 0.96 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 29.40 1s72 h HIS 92 CO 1.27 1.31 0.98 -1.14 0.86 0.00 0.00 177.93 181.21 1s72 s GLN 93 N -2.62 4.21 0.16 2.45 2.00 -0.52 -4.54 119.66 120.80 1s72 s GLN 93 Ca -0.08 1.95 -0.27 0.00 -2.00 0.00 0.00 55.36 54.97 1s72 s GLN 93 Cb 0.07 -3.85 -0.08 0.00 0.80 0.00 0.00 33.01 29.96 1s72 s GLN 93 CO 0.84 -0.76 0.83 0.08 -0.50 0.00 0.00 175.29 175.78 1s72 s VAL 94 N 3.61 4.38 -0.01 1.34 1.01 -0.45 -0.10 120.40 130.18 1s72 s VAL 94 Ca 0.65 1.82 0.04 0.00 0.00 0.00 0.00 61.98 64.48 1s72 s VAL 94 Cb -0.28 -4.20 -0.03 0.00 0.00 0.00 0.00 36.38 31.87 1s72 s VAL 94 CO 0.23 0.47 -0.10 -0.76 0.00 0.00 0.00 175.10 174.94 1s72 s LEU 95 N -0.84 3.00 0.40 3.92 1.43 0.94 -4.80 118.68 122.72 1s72 s LEU 95 Ca 0.39 -0.18 0.08 0.00 -1.03 0.00 0.00 54.13 53.38 1s72 s LEU 95 Cb -0.23 -1.70 -0.06 0.00 0.03 0.00 0.00 46.19 44.22 1s72 s LEU 95 CO 0.27 0.30 0.08 -0.13 0.23 0.00 0.00 176.35 177.10 1s72 s ARG 96 N -1.20 2.08 -0.18 1.70 0.52 -1.26 -0.94 118.95 119.66 1s72 s ARG 96 Ca 0.15 -1.93 -0.11 0.00 -0.52 0.00 0.00 55.73 53.31 1s72 s ARG 96 Cb -0.11 -1.83 0.06 0.00 0.52 0.00 0.00 34.95 33.59 1s72 s ARG 96 CO 0.05 -0.04 0.45 -2.00 0.02 0.00 0.00 175.30 173.78 1s72 s GLU 97 N -3.79 0.46 -1.21 3.54 2.12 -0.73 -4.84 118.70 114.24 1s72 s GLU 97 Ca 0.37 0.81 -0.14 0.00 0.36 0.00 0.00 54.97 56.37 1s72 s GLU 97 Cb 0.06 0.05 0.16 0.00 0.26 0.00 0.00 34.13 34.65 1s72 s GLU 97 CO 0.20 -0.14 1.47 1.21 -0.54 0.00 0.00 175.26 177.46 1s72 s ASN 98 N 1.20 7.03 -0.98 -1.70 2.47 -1.26 -1.40 114.94 120.30 1s72 s ASN 98 Ca -0.08 -2.91 -0.02 0.00 0.42 0.00 0.00 52.86 50.28 1s72 s ASN 98 Cb -0.07 -2.42 0.30 0.00 -1.45 0.00 0.00 41.25 37.61 1s72 s ASN 98 CO -0.11 -0.81 1.34 2.29 -3.72 0.00 0.00 177.10 176.09 1s72 n LYS 99 N 6.01 4.10 0.00 0.43 2.85 -1.26 -5.04 118.16 125.25 1s72 n LYS 99 Ca 0.38 -4.59 0.00 0.00 -1.05 0.00 0.00 58.31 53.05 1s72 n LYS 99 Cb 0.43 -2.45 0.00 0.00 -0.65 0.00 0.00 35.03 32.36 1s72 n LYS 99 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1s72 n ASP 111 N 1.15 -0.48 0.00 -5.58 -0.08 -1.26 -4.94 116.55 105.36 1s72 n ASP 111 Ca 0.28 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.56 1s72 n ASP 111 Cb 0.35 0.40 0.00 0.00 2.34 0.00 0.00 41.12 44.20 1s72 n ASP 111 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1s72 n GLY 112 N 0.98 -0.58 0.90 0.27 0.00 -1.26 -4.91 105.19 100.59 1s72 n GLY 112 Ca 0.00 0.55 0.12 0.00 0.00 0.00 0.00 46.02 46.69 1s72 n GLY 112 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1s72 n MET 113 N 0.00 2.22 -2.60 1.61 2.81 -1.26 -4.77 117.12 115.13 1s72 n MET 113 Ca 0.00 -1.79 -0.41 0.00 -1.81 0.00 0.00 57.70 53.69 1s72 n MET 113 Cb 0.00 -1.47 -0.04 0.00 -0.71 0.00 0.00 33.22 30.99 1s72 n MET 113 CO 0.00 0.00 0.00 0.50 1.51 0.00 0.00 175.97 177.98 1s72 s ARG 114 N -1.84 4.67 -1.37 0.03 3.52 -1.26 -3.47 118.95 119.24 1s72 s ARG 114 Ca 0.33 1.62 -0.11 0.00 -0.13 0.00 0.00 55.73 57.44 1s72 s ARG 114 Cb 0.21 -3.29 0.01 0.00 -1.56 0.00 0.00 34.95 30.31 1s72 s ARG 114 CO 0.31 0.20 0.41 0.00 -0.81 0.00 0.00 175.30 175.40 1s72 n ALA 115 N 2.20 -2.23 0.31 6.12 0.00 -1.26 -4.85 120.51 120.81 1s72 n ALA 115 Ca 0.01 -0.38 0.16 0.00 0.00 0.00 0.00 53.44 53.23 1s72 n ALA 115 Cb 0.47 -1.93 0.63 0.00 0.00 0.00 0.00 19.45 18.62 1s72 n ALA 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s72 h ALA 116 N 1.01 1.00 -1.29 0.00 0.00 -1.86 -3.46 119.26 114.66 1s72 h ALA 116 Ca -0.66 0.00 -0.76 0.00 0.00 0.00 0.00 54.91 53.49 1s72 h ALA 116 Cb 1.39 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.18 1s72 h ALA 116 CO 0.60 0.00 0.96 0.34 0.00 0.00 0.00 179.25 181.15 1s72 n PHE 117 N -2.88 1.90 -1.27 0.00 7.35 -1.26 -4.59 117.46 116.71 1s72 n PHE 117 Ca 0.01 0.63 -0.32 0.00 -0.76 0.00 0.00 57.45 57.01 1s72 n PHE 117 Cb 0.29 -2.42 0.10 0.00 0.35 0.00 0.00 39.48 37.80 1s72 n PHE 117 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 1s72 s GLY 118 N 4.07 1.91 0.51 7.13 0.00 -1.26 -4.90 107.32 114.79 1s72 s GLY 118 Ca 1.02 0.52 -0.06 0.00 0.00 0.00 0.00 44.72 46.20 1s72 s GLY 118 CO 0.67 0.90 0.84 -1.59 0.00 0.00 0.00 173.10 173.91 1s72 s LYS 119 N -4.48 3.51 -0.05 2.90 -2.85 -0.49 -4.61 119.74 113.67 1s72 s LYS 119 Ca 0.66 0.29 -0.30 0.00 -1.00 0.00 0.00 55.97 55.62 1s72 s LYS 119 Cb -0.21 -2.32 -0.04 0.00 -2.06 0.00 0.00 37.83 33.20 1s72 s LYS 119 CO 0.51 -0.30 1.26 0.42 0.10 0.00 0.00 175.35 177.34 1s72 s ILE 120 N -2.84 4.12 0.00 3.79 1.01 -1.26 -1.77 121.20 124.25 1s72 s ILE 120 Ca 0.49 1.45 0.00 0.00 0.00 0.00 0.00 60.65 62.59 1s72 s ILE 120 Cb -0.10 -3.93 0.00 0.00 0.01 0.00 0.00 42.46 38.43 1s72 s ILE 120 CO 0.47 -0.01 0.00 1.33 0.00 0.00 0.00 174.94 176.72 1s72 n VAL 121 N 4.69 0.00 -3.24 2.92 0.24 -0.12 -4.86 118.33 117.97 1s72 n VAL 121 Ca 0.12 -0.30 0.00 0.00 -2.04 0.00 0.00 64.34 62.12 1s72 n VAL 121 Cb 0.45 0.83 0.00 0.00 -1.47 0.00 0.00 33.84 33.65 1s72 n VAL 121 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1s72 n GLY 122 N 1.27 -1.00 3.04 7.63 0.00 -1.13 -4.84 105.19 110.17 1s72 n GLY 122 Ca 0.00 -0.83 -0.08 0.00 0.00 0.00 0.00 46.02 45.11 1s72 n GLY 122 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1s72 s THR 123 N -3.00 0.16 0.11 2.61 -4.23 -1.26 -0.04 115.64 110.00 1s72 s THR 123 Ca 0.00 -1.36 -0.10 0.00 -1.18 0.00 0.00 61.69 59.06 1s72 s THR 123 Cb 0.00 -0.92 0.00 0.00 1.34 0.00 0.00 72.50 72.92 1s72 s THR 123 CO 0.00 -0.75 0.25 0.00 -0.54 0.00 0.00 174.62 173.58 1s72 s ALA 124 N -2.74 -0.28 -0.11 3.99 0.00 0.86 -1.55 121.76 121.93 1s72 s ALA 124 Ca -0.04 -0.60 -0.01 0.00 0.00 0.00 0.00 51.96 51.31 1s72 s ALA 124 Cb -0.01 0.61 -0.03 0.00 0.00 0.00 0.00 23.12 23.69 1s72 s ALA 124 CO -0.06 -0.56 -0.06 0.00 0.00 0.00 0.00 175.76 175.08 1s72 s ALA 125 N -3.88 2.97 -0.27 0.00 0.00 0.45 -1.43 121.76 119.60 1s72 s ALA 125 Ca 0.08 -0.85 -0.17 0.00 0.00 0.00 0.00 51.96 51.01 1s72 s ALA 125 Cb 0.04 -1.39 -0.03 0.00 0.00 0.00 0.00 23.12 21.74 1s72 s ALA 125 CO -0.08 0.38 0.49 1.03 0.00 0.00 0.00 175.76 177.58 1s72 s ARG 126 N -0.17 4.03 -0.16 0.00 0.52 -1.26 -0.38 118.95 121.53 1s72 s ARG 126 Ca 0.03 0.25 0.01 0.00 -0.52 0.00 0.00 55.73 55.49 1s72 s ARG 126 Cb -0.13 -3.66 0.00 0.00 0.52 0.00 0.00 34.95 31.68 1s72 s ARG 126 CO 0.03 -0.36 -0.17 0.08 0.02 0.00 0.00 175.30 174.90 1s72 s VAL 127 N 2.28 2.45 0.29 3.52 1.01 -0.24 -5.00 120.40 124.71 1s72 s VAL 127 Ca 0.20 -0.84 -0.21 0.00 0.00 0.00 0.00 61.98 61.13 1s72 s VAL 127 Cb -0.16 -2.03 -0.09 0.00 0.00 0.00 0.00 36.38 34.10 1s72 s VAL 127 CO 0.09 0.52 0.82 -1.10 0.00 0.00 0.00 175.10 175.44 1s72 s GLN 128 N 0.95 4.32 0.35 2.72 -1.52 -1.26 -1.27 119.66 123.95 1s72 s GLN 128 Ca -0.03 1.02 -0.27 0.00 -1.95 0.00 0.00 55.36 54.12 1s72 s GLN 128 Cb -0.15 -2.71 -0.12 0.00 -0.22 0.00 0.00 33.01 29.81 1s72 s GLN 128 CO -0.03 0.27 1.24 0.00 -0.25 0.00 0.00 175.29 176.52 1s72 n ALA 129 N 0.36 1.06 -0.01 6.09 0.00 -1.26 -2.23 120.51 124.52 1s72 n ALA 129 Ca 0.01 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.79 1s72 n ALA 129 Cb 0.51 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.74 1s72 n ALA 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s72 n GLY 130 N 0.85 0.89 3.90 0.00 0.00 0.42 -4.91 105.19 106.35 1s72 n GLY 130 Ca 0.06 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.80 1s72 n GLY 130 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1s72 s GLU 131 N -0.70 3.56 -0.24 1.61 2.02 -0.95 -4.81 118.70 119.19 1s72 s GLU 131 Ca 0.00 0.27 -0.15 0.00 0.02 0.00 0.00 54.97 55.11 1s72 s GLU 131 Cb 0.00 -2.34 -0.04 0.00 0.10 0.00 0.00 34.13 31.85 1s72 s GLU 131 CO 0.00 -0.24 0.39 1.14 0.02 0.00 0.00 175.26 176.57 1s72 s GLN 132 N -4.75 4.09 -0.14 1.61 -2.07 -1.26 -1.30 119.66 115.84 1s72 s GLN 132 Ca 0.48 0.13 -0.20 0.00 -1.82 0.00 0.00 55.36 53.95 1s72 s GLN 132 Cb -0.10 -3.60 -0.25 0.00 -1.09 0.00 0.00 33.01 27.96 1s72 s GLN 132 CO 0.45 -0.18 0.50 1.25 -1.32 0.00 0.00 175.29 175.99 1s72 h LEU 133 N 8.21 0.21 -8.69 2.60 5.85 -1.42 -3.45 115.31 118.63 1s72 h LEU 133 Ca -0.33 -0.79 -0.59 0.00 0.84 0.00 0.00 57.88 57.01 1s72 h LEU 133 Cb 1.16 -0.07 -0.23 0.00 0.37 0.00 0.00 40.66 41.89 1s72 h LEU 133 CO 0.68 1.48 -0.84 -0.36 -0.34 0.00 0.00 178.44 179.06 1s72 s PHE 134 N -2.40 1.89 -0.14 1.25 0.40 -1.21 -2.05 117.98 115.72 1s72 s PHE 134 Ca -0.22 -0.40 -0.04 0.00 -0.60 0.00 0.00 56.93 55.66 1s72 s PHE 134 Cb 0.03 -1.05 0.07 0.00 0.51 0.00 0.00 43.02 42.58 1s72 s PHE 134 CO 0.71 0.20 0.23 0.99 0.70 0.00 0.00 175.22 178.05 1s72 s THR 135 N -1.07 -0.36 0.15 0.64 2.01 -0.24 -0.35 115.64 116.42 1s72 s THR 135 Ca 0.08 0.21 0.07 0.00 0.31 0.00 0.00 61.69 62.36 1s72 s THR 135 Cb -0.10 -0.46 -0.04 0.00 0.01 0.00 0.00 72.50 71.91 1s72 s THR 135 CO 0.04 0.05 0.00 0.00 -0.69 0.00 0.00 174.62 174.03 1s72 s ALA 136 N 2.37 3.23 -0.12 7.40 0.00 0.10 -0.12 121.76 134.62 1s72 s ALA 136 Ca 0.03 -1.29 0.01 0.00 0.00 0.00 0.00 51.96 50.71 1s72 s ALA 136 Cb -0.13 -1.06 0.02 0.00 0.00 0.00 0.00 23.12 21.95 1s72 s ALA 136 CO -0.09 0.55 -0.13 0.71 0.00 0.00 0.00 175.76 176.80 1s72 s TYR 137 N -1.60 1.91 0.24 0.00 1.51 0.87 -1.22 117.35 119.07 1s72 s TYR 137 Ca 0.27 -0.99 -0.04 0.00 -1.01 0.00 0.00 57.07 55.30 1s72 s TYR 137 Cb -0.10 -1.43 -0.02 0.00 -0.11 0.00 0.00 41.96 40.29 1s72 s TYR 137 CO 0.19 -0.56 0.28 0.00 -1.11 0.00 0.00 175.55 174.35 1s72 s ASN 139 N -3.14 6.38 0.36 0.00 0.01 -1.26 -1.35 114.94 115.94 1s72 s ASN 139 Ca 0.33 0.99 0.14 0.00 -0.71 0.00 0.00 52.86 53.62 1s72 s ASN 139 Cb 0.04 -2.27 1.01 0.00 0.41 0.00 0.00 41.25 40.43 1s72 s ASN 139 CO 0.13 -0.48 1.73 0.58 -1.51 0.00 0.00 177.10 177.56 1s72 h VAL 140 N 0.66 0.49 0.00 1.60 2.07 -1.95 -1.38 116.25 117.75 1s72 h VAL 140 Ca -0.47 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 66.85 1s72 h VAL 140 Cb 1.20 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1s72 h VAL 140 CO 0.63 0.09 -0.17 -0.33 0.02 0.00 0.00 177.57 177.81 1s72 h GLU 141 N 0.47 0.00 -0.34 1.57 5.08 -2.02 -2.96 114.58 116.38 1s72 h GLU 141 Ca 0.64 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.00 1s72 h GLU 141 Cb 1.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.68 1s72 h GLU 141 CO -0.42 0.17 0.00 -0.25 -1.00 0.00 0.00 179.01 177.51 1s72 n ASP 142 N -3.85 3.24 0.03 1.42 8.00 -0.53 -4.54 116.55 120.33 1s72 n ASP 142 Ca -0.02 -1.94 0.18 0.00 0.71 0.00 0.00 54.79 53.73 1s72 n ASP 142 Cb 0.27 -0.22 0.68 0.00 -0.02 0.00 0.00 41.12 41.82 1s72 n ASP 142 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1s72 h ALA 143 N 3.96 2.42 0.00 2.24 0.00 -1.43 -0.68 119.26 125.76 1s72 h ALA 143 Ca 0.00 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1s72 h ALA 143 Cb 0.90 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1s72 h ALA 143 CO 0.00 -0.55 -0.49 0.93 0.00 0.00 0.00 179.25 179.14 1s72 h GLU 144 N 0.02 0.00 -0.03 0.00 4.39 -1.83 -2.83 114.58 114.31 1s72 h GLU 144 Ca 0.22 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.69 1s72 h GLU 144 Cb 0.86 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.53 1s72 h GLU 144 CO -0.01 0.49 -0.90 0.45 -1.16 0.00 0.00 179.01 177.89 1s72 h HIS 145 N 0.00 0.96 -0.22 4.33 3.86 -1.45 -2.44 115.15 120.19 1s72 h HIS 145 Ca -0.00 -0.50 -0.14 0.00 -1.16 0.00 0.00 60.37 58.57 1s72 h HIS 145 Cb 1.08 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 29.43 1s72 h HIS 145 CO 0.00 1.33 -0.43 -0.24 0.86 0.00 0.00 177.93 179.46 1s72 h VAL 146 N 0.32 1.30 -0.33 2.45 3.04 -1.55 0.12 116.25 121.60 1s72 h VAL 146 Ca -0.10 -1.61 -0.05 0.00 -1.01 0.00 0.00 66.70 63.93 1s72 h VAL 146 Cb 1.56 1.60 -0.02 0.00 -2.01 0.00 0.00 31.29 32.42 1s72 h VAL 146 CO 0.18 0.50 0.00 0.11 -1.01 0.00 0.00 177.57 177.36 1s72 h LYS 147 N 0.44 0.50 0.03 4.17 1.57 -1.52 -1.15 116.57 120.61 1s72 h LYS 147 Ca 0.03 -0.10 -0.24 0.00 -1.87 0.00 0.00 60.65 58.48 1s72 h LYS 147 Cb 0.93 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.17 1s72 h LYS 147 CO 0.08 0.53 -1.01 1.49 -0.57 0.00 0.00 179.45 179.97 1s72 h GLU 148 N 0.49 0.37 -0.71 3.15 4.57 -0.92 -2.25 114.58 119.29 1s72 h GLU 148 Ca 0.11 -0.44 -0.05 0.00 -1.18 0.00 0.00 59.36 57.80 1s72 h GLU 148 Cb 0.31 0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 29.00 1s72 h GLU 148 CO 0.01 1.12 0.25 0.00 -1.18 0.00 0.00 179.01 179.21 1s72 h ALA 149 N 0.71 1.11 -0.16 2.92 0.00 -0.21 -2.33 119.26 121.32 1s72 h ALA 149 Ca -0.09 -0.20 -0.16 0.00 0.00 0.00 0.00 54.91 54.46 1s72 h ALA 149 Cb 1.66 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 1s72 h ALA 149 CO 0.17 0.62 -0.56 0.74 0.00 0.00 0.00 179.25 180.22 1s72 h PHE 150 N 1.03 0.60 -0.86 0.00 0.05 -1.21 -1.69 116.94 114.86 1s72 h PHE 150 Ca 0.23 -0.22 0.00 0.00 3.82 0.00 0.00 57.97 61.81 1s72 h PHE 150 Cb 0.24 -0.11 -0.04 0.00 2.00 0.00 0.00 35.95 38.04 1s72 h PHE 150 CO 0.02 0.93 0.56 -0.09 -0.18 0.00 0.00 178.31 179.55 1s72 h ARG 151 N 0.37 1.14 0.00 1.51 2.43 -1.00 -0.44 114.38 118.38 1s72 h ARG 151 Ca 0.00 -0.08 -0.10 0.00 -0.81 0.00 0.00 59.98 58.99 1s72 h ARG 151 Cb 1.10 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 30.38 1s72 h ARG 151 CO 0.10 0.77 -0.48 0.00 -1.51 0.00 0.00 179.97 178.85 1s72 h ARG 152 N 1.17 0.00 -0.12 0.20 3.08 -1.26 -3.25 114.38 114.21 1s72 h ARG 152 Ca 0.31 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 60.13 1s72 h ARG 152 Cb -0.11 0.00 0.01 0.00 0.08 0.00 0.00 29.97 29.95 1s72 h ARG 152 CO -0.07 0.48 -0.82 0.00 -1.07 0.00 0.00 179.97 178.49 1s72 h ALA 153 N 1.52 0.26 0.00 0.04 0.00 -0.23 -3.14 119.26 117.71 1s72 h ALA 153 Ca -0.00 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1s72 h ALA 153 Cb 0.95 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1s72 h ALA 153 CO 0.06 0.66 0.00 2.48 0.00 0.00 0.00 179.25 182.46 1s72 n TYR 154 N -3.94 0.00 0.99 0.00 0.18 -0.31 -1.99 117.16 112.09 1s72 n TYR 154 Ca -0.08 0.00 0.13 0.00 1.88 0.00 0.00 57.90 59.82 1s72 n TYR 154 Cb 0.77 -0.12 0.38 0.00 -0.38 0.00 0.00 39.34 39.99 1s72 n TYR 154 CO 0.00 0.00 0.00 0.09 -2.08 0.00 0.00 176.86 174.87 1s72 n ASN 155 N -1.12 0.33 -0.34 9.48 3.02 -1.19 -3.91 115.26 121.54 1s72 n ASN 155 Ca 0.15 0.02 0.03 0.00 -0.03 0.00 0.00 54.58 54.75 1s72 n ASN 155 Cb 0.12 -0.01 0.09 0.00 -0.61 0.00 0.00 39.78 39.36 1s72 n ASN 155 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1s72 n LYS 156 N -1.52 2.89 -4.29 3.52 5.02 -0.84 -4.97 118.16 117.97 1s72 n LYS 156 Ca 0.06 -1.84 -0.22 0.00 -2.02 0.00 0.00 58.31 54.29 1s72 n LYS 156 Cb 0.34 -1.17 -0.13 0.00 -0.02 0.00 0.00 35.03 34.05 1s72 n LYS 156 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 1s72 s ILE 157 N -1.10 1.47 0.16 -0.18 -4.36 -1.24 -4.70 121.20 111.24 1s72 s ILE 157 Ca 0.13 -1.38 -0.26 0.00 -0.26 0.00 0.00 60.65 58.88 1s72 s ILE 157 Cb 0.08 -1.35 0.02 0.00 1.25 0.00 0.00 42.46 42.46 1s72 s ILE 157 CO 0.08 -0.08 1.57 0.74 0.24 0.00 0.00 174.94 177.50 1s72 h THR 158 N 4.21 0.11 -4.21 8.37 2.02 -1.91 -3.45 112.91 118.05 1s72 h THR 158 Ca -0.43 0.00 -0.48 0.00 0.77 0.00 0.00 66.41 66.26 1s72 h THR 158 Cb 1.18 0.11 0.13 0.00 -1.74 0.00 0.00 68.15 67.83 1s72 h THR 158 CO 0.41 0.00 0.30 -2.16 0.37 0.00 0.00 175.52 174.44 1s72 s PRO 159 N -5.86 1.73 0.37 6.66 0.04 -1.26 -5.05 135.00 131.63 1s72 s PRO 159 Ca -0.15 0.70 -0.18 0.00 0.04 0.00 0.00 61.00 61.41 1s72 s PRO 159 Cb 0.12 -1.87 -0.10 0.00 0.04 0.00 0.00 34.50 32.69 1s72 s PRO 159 CO 0.66 -1.88 0.84 -1.12 0.04 0.00 0.00 177.00 175.54 1s72 s SER 160 N -3.72 6.87 0.19 6.66 0.01 -1.26 -4.94 113.70 117.51 1s72 s SER 160 Ca 0.62 1.49 0.03 0.00 1.31 0.00 0.00 55.95 59.40 1s72 s SER 160 Cb -0.16 -2.46 -0.05 0.00 0.21 0.00 0.00 66.02 63.57 1s72 s SER 160 CO 0.55 -0.27 -0.01 0.00 0.41 0.00 0.00 173.24 173.92 1s72 s ARG 162 N -3.88 3.24 -0.40 0.00 0.52 -0.12 -4.95 118.95 113.36 1s72 s ARG 162 Ca 0.25 -0.72 -0.19 0.00 -0.52 0.00 0.00 55.73 54.55 1s72 s ARG 162 Cb 0.06 -2.55 0.01 0.00 0.52 0.00 0.00 34.95 32.99 1s72 s ARG 162 CO 0.05 0.25 0.53 0.42 0.02 0.00 0.00 175.30 176.57 1s72 s ILE 163 N 0.24 4.97 -0.11 1.52 1.01 -1.26 -0.42 121.20 127.15 1s72 s ILE 163 Ca -0.10 0.06 -0.00 0.00 0.00 0.00 0.00 60.65 60.61 1s72 s ILE 163 Cb -0.16 -4.07 -0.02 0.00 0.01 0.00 0.00 42.46 38.23 1s72 s ILE 163 CO 0.06 -0.40 -0.10 -0.62 0.00 0.00 0.00 174.94 173.87 1s72 s ASP 164 N 1.86 4.29 -0.16 3.58 -1.08 0.39 -4.98 116.67 120.57 1s72 s ASP 164 Ca 0.18 -0.21 -0.05 0.00 -0.52 0.00 0.00 52.55 51.95 1s72 s ASP 164 Cb -0.15 -1.45 -0.03 0.00 -1.46 0.00 0.00 42.92 39.82 1s72 s ASP 164 CO 0.15 0.23 -0.01 -0.55 0.52 0.00 0.00 175.17 175.51 1s72 s SER 165 N -0.01 5.02 0.00 -0.34 0.15 -1.26 0.45 113.70 117.70 1s72 s SER 165 Ca -0.02 -0.07 0.00 0.00 0.70 0.00 0.00 55.95 56.56 1s72 s SER 165 Cb -0.14 -1.83 0.00 0.00 -1.71 0.00 0.00 66.02 62.35 1s72 s SER 165 CO 0.04 0.17 0.00 -1.20 1.20 0.00 0.00 173.24 173.45 1s72 n SER 166 N 3.51 0.00 -4.55 5.45 7.64 0.95 -4.83 113.62 121.78 1s72 n SER 166 Ca -0.17 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.33 1s72 n SER 166 Cb 0.52 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.69 1s72 n SER 166 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 1s72 s PRO 167 N 0.00 2.65 0.00 1.43 0.02 -1.25 -4.71 135.00 133.14 1s72 s PRO 167 Ca 0.00 0.51 0.00 0.00 0.02 0.00 0.00 61.00 61.53 1s72 s PRO 167 Cb 0.00 -4.42 0.00 0.00 0.02 0.00 0.00 34.50 30.10 1s72 s PRO 167 CO 0.00 -2.74 0.00 0.00 -0.33 0.00 0.00 177.00 173.93 1s72 n ALA 168 N 12.65 0.00 -1.17 -1.55 0.00 -1.26 -3.01 120.51 126.16 1s72 n ALA 168 Ca 0.21 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.53 1s72 n ALA 168 Cb 0.52 0.00 0.24 0.00 0.00 0.00 0.00 19.45 20.21 1s72 n ALA 168 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s72 n GLY 169 N 0.00 4.19 2.62 0.00 0.00 -1.26 -4.63 105.19 106.10 1s72 n GLY 169 Ca 0.00 -1.07 -0.41 0.00 0.00 0.00 0.00 46.02 44.54 1s72 n GLY 169 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1s72 n ASN 170 N -0.70 7.47 -0.81 1.61 5.03 -1.26 -5.29 115.26 121.31 1s72 n ASN 170 Ca 0.47 -3.61 0.13 0.00 0.87 0.00 0.00 54.58 52.43 1s72 n ASN 170 Cb 1.43 -1.20 0.24 0.00 -1.02 0.00 0.00 39.78 39.23 1s72 n ASN 170 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43