#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w29 h SER 16 N 0.00 0.00 -0.03 0.00 4.64 -1.85 -2.27 113.55 114.05 1w29 h SER 16 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1w29 h SER 16 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1w29 h SER 16 CO 0.00 0.00 -0.01 0.61 -0.87 0.00 0.00 176.83 176.56 1w29 n GLY 17 N -1.38 0.76 3.76 -0.77 0.00 -1.26 -4.80 105.19 101.50 1w29 n GLY 17 Ca 0.00 -0.63 -0.41 0.00 0.00 0.00 0.00 46.02 44.99 1w29 n GLY 17 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1w29 s VAL 18 N -1.84 2.99 -0.34 1.61 1.01 -0.85 -5.02 120.40 117.95 1w29 s VAL 18 Ca 0.25 0.95 -0.09 0.00 0.00 0.00 0.00 61.98 63.09 1w29 s VAL 18 Cb 0.18 -3.61 0.01 0.00 0.00 0.00 0.00 36.38 32.97 1w29 s VAL 18 CO 0.28 0.21 0.16 -0.13 0.00 0.00 0.00 175.10 175.62 1w29 s ARG 19 N -1.34 3.01 0.01 2.72 0.52 -1.26 -5.00 118.95 117.61 1w29 s ARG 19 Ca 0.50 -0.94 0.05 0.00 -0.52 0.00 0.00 55.73 54.82 1w29 s ARG 19 Cb -0.37 -3.60 -0.03 0.00 0.52 0.00 0.00 34.95 31.47 1w29 s ARG 19 CO 0.47 -0.57 -0.14 -1.17 0.02 0.00 0.00 175.30 173.91 1w29 s LEU 20 N 1.55 2.80 0.08 2.53 2.96 -1.26 -0.92 118.68 126.42 1w29 s LEU 20 Ca 0.03 -0.29 0.07 0.00 -0.22 0.00 0.00 54.13 53.71 1w29 s LEU 20 Cb -0.18 -1.62 -0.03 0.00 0.50 0.00 0.00 46.19 44.86 1w29 s LEU 20 CO 0.06 0.28 -0.18 0.00 -1.32 0.00 0.00 176.35 175.18 1w29 s ALA 21 N -0.90 1.57 -0.07 5.97 0.00 -0.59 -1.85 121.76 125.89 1w29 s ALA 21 Ca 0.15 -1.10 0.01 0.00 0.00 0.00 0.00 51.96 51.01 1w29 s ALA 21 Cb -0.11 -0.22 0.02 0.00 0.00 0.00 0.00 23.12 22.81 1w29 s ALA 21 CO 0.05 0.31 -0.06 0.42 0.00 0.00 0.00 175.76 176.47 1w29 s ILE 22 N -1.07 0.78 -0.18 0.00 1.01 0.99 -1.24 121.20 121.49 1w29 s ILE 22 Ca 0.04 -0.21 0.00 0.00 0.00 0.00 0.00 60.65 60.48 1w29 s ILE 22 Cb -0.09 -0.79 0.01 0.00 0.01 0.00 0.00 42.46 41.60 1w29 s ILE 22 CO 0.03 0.30 -0.17 0.54 0.00 0.00 0.00 174.94 175.63 1w29 s VAL 23 N 1.21 2.32 -0.15 2.92 0.11 0.09 -1.21 120.40 125.69 1w29 s VAL 23 Ca -0.06 -0.86 0.02 0.00 -2.93 0.00 0.00 61.98 58.16 1w29 s VAL 23 Cb -0.14 -1.99 0.01 0.00 -1.53 0.00 0.00 36.38 32.74 1w29 s VAL 23 CO -0.02 0.52 -0.21 0.00 -3.33 0.00 0.00 175.10 172.06 1w29 s ALA 24 N 1.25 2.27 1.09 1.54 0.00 -0.81 -0.91 121.76 126.20 1w29 s ALA 24 Ca 0.03 -1.12 -0.17 0.00 0.00 0.00 0.00 51.96 50.70 1w29 s ALA 24 Cb -0.14 -1.04 0.24 0.00 0.00 0.00 0.00 23.12 22.18 1w29 s ALA 24 CO -0.10 -0.11 1.17 -1.54 0.00 0.00 0.00 175.76 175.19 1w29 s SER 25 N 0.93 1.90 0.00 0.00 1.04 -0.70 -1.89 113.70 114.98 1w29 s SER 25 Ca -0.04 0.58 0.00 0.00 0.48 0.00 0.00 55.95 56.97 1w29 s SER 25 Cb -0.15 -0.82 0.00 0.00 0.10 0.00 0.00 66.02 65.15 1w29 s SER 25 CO -0.05 -3.51 0.00 -1.20 0.98 0.00 0.00 173.24 169.46 1w29 n SER 26 N -4.34 2.13 -4.66 7.02 7.64 0.18 -4.79 113.62 116.80 1w29 n SER 26 Ca 0.13 -0.15 -0.47 0.00 1.01 0.00 0.00 58.87 59.39 1w29 n SER 26 Cb 0.59 0.74 -0.04 0.00 -1.01 0.00 0.00 64.21 64.49 1w29 n SER 26 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 1w29 n TRP 27 N -0.95 2.16 -3.07 1.43 7.02 -0.85 -2.48 117.44 120.69 1w29 n TRP 27 Ca 0.00 0.34 -0.10 0.00 -1.02 0.00 0.00 57.50 56.72 1w29 n TRP 27 Cb 0.00 -2.50 0.01 0.00 -2.42 0.00 0.00 31.31 26.40 1w29 n TRP 27 CO 0.00 0.00 0.00 0.72 -2.02 0.00 0.00 177.69 176.39 1w29 n HIS 28 N 3.06 -3.11 -0.30 -5.99 8.25 -1.26 -4.53 115.22 111.34 1w29 n HIS 28 Ca 0.16 1.24 -0.01 0.00 -0.26 0.00 0.00 57.72 58.85 1w29 n HIS 28 Cb 0.28 -3.75 0.17 0.00 1.12 0.00 0.00 29.99 27.81 1w29 n HIS 28 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1w29 h GLY 29 N 1.27 1.24 1.17 -1.41 0.00 -1.88 -2.64 103.07 100.82 1w29 h GLY 29 Ca -0.11 -0.47 -0.13 0.00 0.00 0.00 0.00 47.33 46.62 1w29 h GLY 29 CO 0.25 0.46 -0.22 1.70 0.00 0.00 0.00 176.54 178.73 1w29 h LYS 30 N 1.20 0.95 -0.20 4.80 3.64 -1.91 -1.53 116.57 123.51 1w29 h LYS 30 Ca 0.32 -0.40 -0.18 0.00 -1.27 0.00 0.00 60.65 59.12 1w29 h LYS 30 Cb -0.13 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.66 1w29 h LYS 30 CO -0.07 1.07 -0.58 0.82 -2.27 0.00 0.00 179.45 178.42 1w29 h ILE 31 N 0.82 1.30 0.01 2.00 2.04 -1.88 -2.65 117.51 119.14 1w29 h ILE 31 Ca 0.11 -1.80 -0.00 0.00 1.00 0.00 0.00 64.86 64.17 1w29 h ILE 31 Cb 0.79 1.87 0.00 0.00 -0.74 0.00 0.00 36.82 38.73 1w29 h ILE 31 CO 0.07 0.57 -0.01 0.00 0.00 0.00 0.00 178.15 178.78 1w29 h ASP 33 N -0.26 0.70 -0.14 0.00 5.19 -1.36 0.25 116.42 120.80 1w29 h ASP 33 Ca -0.00 0.11 -0.03 0.00 -0.62 0.00 0.00 57.03 56.48 1w29 h ASP 33 Cb 0.25 -0.01 -0.00 0.00 0.18 0.00 0.00 39.33 39.75 1w29 h ASP 33 CO 0.00 0.22 -0.04 0.00 -3.12 0.00 0.00 179.24 176.31 1w29 h ALA 34 N 1.65 0.20 -0.33 3.45 0.00 -1.17 -0.61 119.26 122.44 1w29 h ALA 34 Ca 0.57 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 55.17 1w29 h ALA 34 Cb 0.93 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1w29 h ALA 34 CO -0.41 -0.05 -0.14 -0.07 0.00 0.00 0.00 179.25 178.58 1w29 h LEU 35 N -0.03 0.57 -0.55 0.00 3.38 -0.09 -1.86 115.31 116.72 1w29 h LEU 35 Ca 0.04 -0.16 -0.10 0.00 0.09 0.00 0.00 57.88 57.75 1w29 h LEU 35 Cb 0.46 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1w29 h LEU 35 CO 0.01 0.73 -0.03 0.25 0.09 0.00 0.00 178.44 179.49 1w29 h LEU 36 N 0.53 0.98 -1.19 1.67 5.85 -0.47 -1.99 115.31 120.69 1w29 h LEU 36 Ca 0.09 -0.32 -0.02 0.00 0.84 0.00 0.00 57.88 58.47 1w29 h LEU 36 Cb 0.55 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 1w29 h LEU 36 CO 0.03 1.07 0.33 -0.78 -0.34 0.00 0.00 178.44 178.75 1w29 h ASP 37 N 0.88 0.80 -0.18 1.25 -0.00 -0.65 -0.97 116.42 117.54 1w29 h ASP 37 Ca 0.15 -0.07 -0.07 0.00 -0.00 0.00 0.00 57.03 57.05 1w29 h ASP 37 Cb 0.58 -0.20 -0.00 0.00 -0.00 0.00 0.00 39.33 39.71 1w29 h ASP 37 CO 0.03 0.66 -0.15 1.23 -0.00 0.00 0.00 179.24 181.02 1w29 h GLY 38 N 0.96 0.45 0.22 -0.78 0.00 -1.02 -1.03 103.07 101.87 1w29 h GLY 38 Ca 0.22 -0.44 0.04 0.00 0.00 0.00 0.00 47.33 47.15 1w29 h GLY 38 CO -0.03 0.40 -0.34 0.00 0.00 0.00 0.00 176.54 176.56 1w29 h ALA 39 N 0.64 -0.48 0.00 3.60 0.00 -1.22 -1.85 119.26 119.95 1w29 h ALA 39 Ca 0.03 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1w29 h ALA 39 Cb 0.67 0.62 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 1w29 h ALA 39 CO 0.04 -0.85 -0.08 0.00 0.00 0.00 0.00 179.25 178.36 1w29 h ARG 40 N -0.47 0.00 0.01 0.00 3.08 -1.15 -0.85 114.38 115.01 1w29 h ARG 40 Ca 0.07 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.92 1w29 h ARG 40 Cb 0.58 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.61 1w29 h ARG 40 CO -0.31 0.08 -0.92 0.87 -1.07 0.00 0.00 179.97 178.62 1w29 h LYS 41 N 0.00 0.07 -0.08 0.04 1.57 -0.91 -2.71 116.57 114.54 1w29 h LYS 41 Ca -0.00 -0.09 -0.05 0.00 -1.87 0.00 0.00 60.65 58.63 1w29 h LYS 41 Cb 0.16 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1w29 h LYS 41 CO 0.01 0.94 -0.16 0.28 -0.57 0.00 0.00 179.45 179.95 1w29 h VAL 42 N 0.03 1.40 -0.53 0.50 2.07 -0.84 -1.54 116.25 117.35 1w29 h VAL 42 Ca -0.03 -1.46 0.10 0.00 0.82 0.00 0.00 66.70 66.13 1w29 h VAL 42 Cb 1.60 2.16 -0.08 0.00 -1.52 0.00 0.00 31.29 33.46 1w29 h VAL 42 CO 0.13 0.41 0.06 0.00 0.02 0.00 0.00 177.57 178.19 1w29 h ALA 43 N 0.50 0.56 -0.40 1.67 0.00 -1.25 -2.27 119.26 118.06 1w29 h ALA 43 Ca 0.00 0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 1w29 h ALA 43 Cb 0.75 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1w29 h ALA 43 CO 0.04 -0.35 -0.22 0.00 0.00 0.00 0.00 179.25 178.72 1w29 h ALA 44 N 1.44 0.85 0.00 0.00 0.00 -1.36 -0.79 119.26 119.40 1w29 h ALA 44 Ca 0.27 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1w29 h ALA 44 Cb 0.40 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1w29 h ALA 44 CO -0.39 0.64 0.00 0.41 0.00 0.00 0.00 179.25 179.91 1w29 n GLY 45 N -0.22 -1.07 1.45 0.00 0.00 -0.58 -2.08 105.19 102.69 1w29 n GLY 45 Ca 0.00 0.03 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 1w29 n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w29 n GLY 47 N -1.01 1.34 3.35 0.00 0.00 -0.88 -3.19 105.19 104.79 1w29 n GLY 47 Ca 0.38 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.95 1w29 n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1w29 s LEU 48 N 0.00 5.93 0.18 0.99 1.02 -0.33 -4.73 118.68 121.74 1w29 s LEU 48 Ca 0.00 -1.94 -0.04 0.00 0.02 0.00 0.00 54.13 52.17 1w29 s LEU 48 Cb 0.00 -2.26 0.07 0.00 0.02 0.00 0.00 46.19 44.02 1w29 s LEU 48 CO 0.00 -0.90 1.48 0.44 0.02 0.00 0.00 176.35 177.39 1w29 h ASP 49 N 8.69 0.67 -2.13 2.29 5.19 -1.86 -3.05 116.42 126.21 1w29 h ASP 49 Ca -0.14 -0.36 -0.56 0.00 -0.62 0.00 0.00 57.03 55.35 1w29 h ASP 49 Cb 1.07 -0.19 -0.41 0.00 0.18 0.00 0.00 39.33 39.98 1w29 h ASP 49 CO 0.99 1.09 -0.87 -0.67 -3.12 0.00 0.00 179.24 176.67 1w29 n ASP 50 N -3.96 2.48 -4.59 6.45 -0.08 -1.26 -4.98 116.55 110.61 1w29 n ASP 50 Ca -0.03 -3.25 -0.37 0.00 -1.51 0.00 0.00 54.79 49.63 1w29 n ASP 50 Cb 0.62 -0.62 0.07 0.00 2.34 0.00 0.00 41.12 43.52 1w29 n ASP 50 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1w29 n PRO 51 N 0.51 0.66 -2.55 -0.67 -0.04 -1.26 -4.95 135.00 126.70 1w29 n PRO 51 Ca 0.27 0.27 -0.43 0.00 -0.04 0.00 0.00 63.50 63.58 1w29 n PRO 51 Cb 0.49 -2.13 -0.02 0.00 -0.04 0.00 0.00 33.50 31.80 1w29 n PRO 51 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1w29 s THR 52 N -1.67 4.48 -0.19 0.52 2.01 -0.77 -4.93 115.64 115.08 1w29 s THR 52 Ca 0.74 1.78 -0.02 0.00 0.31 0.00 0.00 61.69 64.51 1w29 s THR 52 Cb -0.38 -4.18 0.00 0.00 0.01 0.00 0.00 72.50 67.95 1w29 s THR 52 CO 0.49 -0.19 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.43 1w29 s VAL 53 N 3.40 2.86 -0.02 3.82 1.01 -1.26 -0.01 120.40 130.20 1w29 s VAL 53 Ca 0.49 -0.67 0.06 0.00 0.00 0.00 0.00 61.98 61.85 1w29 s VAL 53 Cb -0.18 -2.26 -0.01 0.00 0.00 0.00 0.00 36.38 33.93 1w29 s VAL 53 CO 0.11 0.48 -0.20 -0.69 0.00 0.00 0.00 175.10 174.80 1w29 s VAL 54 N 1.27 1.56 -0.04 2.92 1.01 -0.35 -4.98 120.40 121.79 1w29 s VAL 54 Ca 0.03 -0.83 -0.02 0.00 0.00 0.00 0.00 61.98 61.16 1w29 s VAL 54 Cb -0.14 -1.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 1w29 s VAL 54 CO -0.05 0.44 0.09 -0.13 0.00 0.00 0.00 175.10 175.45 1w29 s ARG 55 N -0.38 3.17 0.27 2.72 1.81 -1.26 -1.92 118.95 123.36 1w29 s ARG 55 Ca 0.06 -0.39 0.05 0.00 -1.72 0.00 0.00 55.73 53.73 1w29 s ARG 55 Cb -0.08 -2.94 -0.06 0.00 -0.45 0.00 0.00 34.95 31.42 1w29 s ARG 55 CO -0.00 0.68 -0.03 0.14 -0.68 0.00 0.00 175.30 175.41 1w29 s VAL 56 N -1.14 1.39 -0.00 3.52 -7.23 -0.79 -4.96 120.40 111.19 1w29 s VAL 56 Ca 0.21 -2.08 -0.11 0.00 -1.81 0.00 0.00 61.98 58.19 1w29 s VAL 56 Cb -0.12 -2.45 -0.06 0.00 0.56 0.00 0.00 36.38 34.30 1w29 s VAL 56 CO 0.11 -0.28 0.74 0.25 -0.31 0.00 0.00 175.10 175.62 1w29 h LEU 57 N 2.32 -0.34 -9.39 1.32 5.85 -1.92 -1.84 115.31 111.30 1w29 h LEU 57 Ca -0.40 0.01 -0.58 0.00 0.84 0.00 0.00 57.88 57.75 1w29 h LEU 57 Cb 1.23 0.09 -0.12 0.00 0.37 0.00 0.00 40.66 42.23 1w29 h LEU 57 CO 0.67 -0.14 -0.70 -0.83 -0.34 0.00 0.00 178.44 177.10 1w29 s GLY 58 N -2.04 1.75 0.32 3.75 0.00 -1.26 0.48 107.32 110.33 1w29 s GLY 58 Ca -0.06 -1.74 0.08 0.00 0.00 0.00 0.00 44.72 43.00 1w29 s GLY 58 CO 0.17 -1.81 1.61 0.00 0.00 0.00 0.00 173.10 173.07 1w29 h ALA 59 N 2.10 1.55 0.00 3.20 0.00 -1.92 -1.25 119.26 122.95 1w29 h ALA 59 Ca -0.43 0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1w29 h ALA 59 Cb 1.25 0.37 0.00 0.00 0.00 0.00 0.00 17.79 19.41 1w29 h ALA 59 CO 0.60 -0.62 0.00 0.82 0.00 0.00 0.00 179.25 180.05 1w29 h ILE 60 N 0.13 0.00 0.00 0.00 2.04 -1.95 -1.22 117.51 116.51 1w29 h ILE 60 Ca 0.66 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 66.21 1w29 h ILE 60 Cb 1.49 1.22 0.00 0.00 -0.74 0.00 0.00 36.82 38.79 1w29 h ILE 60 CO -0.74 0.00 -0.33 -0.33 0.00 0.00 0.00 178.15 176.74 1w29 h GLU 61 N 0.00 0.00 -0.05 2.37 3.07 -1.64 -3.37 114.58 114.96 1w29 h GLU 61 Ca 0.00 0.00 0.04 0.00 -0.50 0.00 0.00 59.36 58.90 1w29 h GLU 61 Cb 0.34 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.19 1w29 h GLU 61 CO 0.00 0.00 -0.33 0.82 -1.40 0.00 0.00 179.01 178.10 1w29 h ILE 62 N 0.00 0.28 -0.59 3.13 2.04 -1.29 -3.09 117.51 117.99 1w29 h ILE 62 Ca 0.00 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.93 1w29 h ILE 62 Cb 0.87 0.28 -0.06 0.00 -0.74 0.00 0.00 36.82 37.17 1w29 h ILE 62 CO 0.00 0.00 0.29 -0.65 0.00 0.00 0.00 178.15 177.79 1w29 h PRO 63 N -0.46 0.51 0.00 2.37 0.11 -1.75 0.21 132.00 132.99 1w29 h PRO 63 Ca 0.07 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.11 1w29 h PRO 63 Cb 0.57 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.56 1w29 h PRO 63 CO -0.30 0.34 -0.17 -0.24 -0.21 0.00 0.00 178.00 177.41 1w29 h VAL 64 N 0.53 0.56 0.12 3.15 3.04 -1.83 -1.10 116.25 120.73 1w29 h VAL 64 Ca 0.28 -0.81 -0.19 0.00 -1.01 0.00 0.00 66.70 64.97 1w29 h VAL 64 Cb 0.24 1.54 0.01 0.00 -2.01 0.00 0.00 31.29 31.07 1w29 h VAL 64 CO -0.22 0.17 -0.87 0.58 -1.01 0.00 0.00 177.57 176.23 1w29 h VAL 65 N 0.00 1.44 -0.88 1.51 2.07 -0.91 -3.08 116.25 116.39 1w29 h VAL 65 Ca -0.00 -2.49 0.23 0.00 0.82 0.00 0.00 66.70 65.25 1w29 h VAL 65 Cb 0.52 3.11 -0.13 0.00 -1.52 0.00 0.00 31.29 33.27 1w29 h VAL 65 CO 0.02 0.70 0.32 0.00 0.02 0.00 0.00 177.57 178.63 1w29 h ALA 66 N 0.04 1.36 -0.71 1.67 0.00 -0.47 -1.11 119.26 120.04 1w29 h ALA 66 Ca -0.16 0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1w29 h ALA 66 Cb 1.61 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 19.60 1w29 h ALA 66 CO 0.12 -0.42 0.25 0.37 0.00 0.00 0.00 179.25 179.57 1w29 h GLN 67 N 0.30 1.08 -0.41 0.00 4.15 -1.16 0.84 115.11 119.90 1w29 h GLN 67 Ca 0.56 -0.21 -0.11 0.00 0.77 0.00 0.00 58.65 59.65 1w29 h GLN 67 Cb 1.10 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 28.61 1w29 h GLN 67 CO -0.59 0.90 -0.19 1.49 -1.93 0.00 0.00 178.83 178.51 1w29 h GLU 68 N 1.05 0.86 -0.58 1.69 4.57 -1.15 -3.13 114.58 117.88 1w29 h GLU 68 Ca 0.24 -0.37 -0.05 0.00 -1.18 0.00 0.00 59.36 57.99 1w29 h GLU 68 Cb 0.25 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.79 1w29 h GLU 68 CO -0.01 1.01 0.15 -0.07 -1.18 0.00 0.00 179.01 178.90 1w29 h LEU 69 N 0.68 0.84 -1.30 1.64 3.38 -1.13 -2.70 115.31 116.72 1w29 h LEU 69 Ca 0.09 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1w29 h LEU 69 Cb 0.75 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1w29 h LEU 69 CO 0.06 0.82 0.00 0.00 0.09 0.00 0.00 178.44 179.41 1w29 h ALA 70 N 1.29 1.00 0.00 1.53 0.00 -0.77 -2.85 119.26 119.46 1w29 h ALA 70 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1w29 h ALA 70 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1w29 h ALA 70 CO -0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 1w29 h ARG 71 N 0.00 0.00 -0.25 0.00 3.08 -1.52 -3.33 114.38 112.36 1w29 h ARG 71 Ca 0.00 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.84 1w29 h ARG 71 Cb 0.11 0.00 -0.31 0.00 0.08 0.00 0.00 29.97 29.85 1w29 h ARG 71 CO 0.00 0.00 -0.81 0.27 -1.07 0.00 0.00 179.97 178.36 1w29 n ASN 72 N -2.55 0.45 -4.11 7.04 2.04 -1.13 -5.09 115.26 111.90 1w29 n ASN 72 Ca 0.03 -2.09 -0.14 0.00 -0.44 0.00 0.00 54.58 51.95 1w29 n ASN 72 Cb 0.36 -0.05 -0.11 0.00 -2.53 0.00 0.00 39.78 37.44 1w29 n ASN 72 CO 0.00 0.00 0.00 -1.00 -0.44 0.00 0.00 177.26 175.82 1w29 s HIS 73 N -2.21 0.85 -0.16 -2.53 3.76 -1.09 -4.96 115.29 108.95 1w29 s HIS 73 Ca 0.20 -0.57 0.29 0.00 -0.15 0.00 0.00 55.06 54.83 1w29 s HIS 73 Cb 0.36 -0.49 0.96 0.00 1.11 0.00 0.00 32.58 34.52 1w29 s HIS 73 CO -0.08 -0.06 1.83 -0.44 -0.85 0.00 0.00 174.74 175.15 1w29 h ASP 74 N 4.11 0.00 -4.74 1.40 3.32 -1.36 -3.44 116.42 115.70 1w29 h ASP 74 Ca -0.37 0.00 0.01 0.00 0.02 0.00 0.00 57.03 56.69 1w29 h ASP 74 Cb 1.19 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.57 1w29 h ASP 74 CO 0.46 0.00 0.33 0.00 -1.72 0.00 0.00 179.24 178.31 1w29 s ALA 75 N -3.46 -1.78 -0.06 3.45 0.00 -1.05 -4.25 121.76 114.61 1w29 s ALA 75 Ca 0.04 1.13 0.02 0.00 0.00 0.00 0.00 51.96 53.15 1w29 s ALA 75 Cb 0.08 0.12 0.02 0.00 0.00 0.00 0.00 23.12 23.34 1w29 s ALA 75 CO 0.58 -0.51 -0.09 0.08 0.00 0.00 0.00 175.76 175.83 1w29 s VAL 76 N -2.11 0.89 -0.25 0.00 1.01 -0.51 -1.54 120.40 117.89 1w29 s VAL 76 Ca -0.03 -0.32 -0.14 0.00 0.00 0.00 0.00 61.98 61.48 1w29 s VAL 76 Cb -0.01 -0.85 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 1w29 s VAL 76 CO -0.01 0.31 0.35 -0.69 0.00 0.00 0.00 175.10 175.06 1w29 s VAL 77 N 0.85 5.21 -0.17 2.92 1.01 -0.37 -1.12 120.40 128.73 1w29 s VAL 77 Ca -0.12 0.54 -0.18 0.00 0.00 0.00 0.00 61.98 62.22 1w29 s VAL 77 Cb -0.15 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 1w29 s VAL 77 CO 0.01 0.20 0.48 0.00 0.00 0.00 0.00 175.10 175.80 1w29 s ALA 78 N 1.78 3.52 0.02 5.51 0.00 0.14 -0.73 121.76 132.00 1w29 s ALA 78 Ca 0.15 -0.34 0.04 0.00 0.00 0.00 0.00 51.96 51.81 1w29 s ALA 78 Cb -0.15 -2.72 -0.02 0.00 0.00 0.00 0.00 23.12 20.23 1w29 s ALA 78 CO 0.09 -0.25 -0.13 -0.51 0.00 0.00 0.00 175.76 174.96 1w29 s LEU 79 N 1.19 2.13 0.00 0.00 1.43 -0.09 0.47 118.68 123.82 1w29 s LEU 79 Ca 0.24 -0.39 0.00 0.00 -1.03 0.00 0.00 54.13 52.95 1w29 s LEU 79 Cb -0.15 -0.58 0.00 0.00 0.03 0.00 0.00 46.19 45.48 1w29 s LEU 79 CO 0.10 0.06 0.00 0.61 0.23 0.00 0.00 176.35 177.34 1w29 n GLY 80 N 2.15 -0.94 2.82 -3.19 0.00 -1.11 -1.72 105.19 103.21 1w29 n GLY 80 Ca -0.17 -1.14 -0.21 0.00 0.00 0.00 0.00 46.02 44.50 1w29 n GLY 80 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1w29 s VAL 81 N -2.00 0.44 -0.16 1.61 1.01 -1.26 -0.26 120.40 119.77 1w29 s VAL 81 Ca 0.00 0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.01 1w29 s VAL 81 Cb 0.00 -0.54 0.01 0.00 0.00 0.00 0.00 36.38 35.86 1w29 s VAL 81 CO 0.00 0.24 -0.20 -0.69 0.00 0.00 0.00 175.10 174.45 1w29 s VAL 82 N 1.50 2.15 -0.04 2.92 1.01 0.81 -4.85 120.40 123.90 1w29 s VAL 82 Ca -0.02 -0.93 0.06 0.00 0.00 0.00 0.00 61.98 61.09 1w29 s VAL 82 Cb -0.13 -1.89 -0.02 0.00 0.00 0.00 0.00 36.38 34.34 1w29 s VAL 82 CO -0.03 0.54 -0.22 -0.63 0.00 0.00 0.00 175.10 174.76 1w29 s ILE 83 N 1.07 2.38 0.30 2.22 1.01 -1.26 -0.92 121.20 126.00 1w29 s ILE 83 Ca -0.01 -0.97 -0.28 0.00 0.00 0.00 0.00 60.65 59.39 1w29 s ILE 83 Cb -0.14 -1.87 -0.09 0.00 0.01 0.00 0.00 42.46 40.36 1w29 s ILE 83 CO -0.07 0.58 1.05 -0.60 0.00 0.00 0.00 174.94 175.90 1w29 s ARG 84 N -0.52 4.56 0.00 2.79 3.52 0.41 -4.94 118.95 124.77 1w29 s ARG 84 Ca 0.07 1.65 0.00 0.00 -0.13 0.00 0.00 55.73 57.32 1w29 s ARG 84 Cb -0.11 -3.03 0.00 0.00 -1.56 0.00 0.00 34.95 30.25 1w29 s ARG 84 CO 0.01 0.18 0.00 0.41 -0.81 0.00 0.00 175.30 175.09 1w29 n GLY 85 N 1.00 4.06 0.09 8.12 0.00 -1.26 -4.76 105.19 112.44 1w29 n GLY 85 Ca 0.00 -1.75 0.12 0.00 0.00 0.00 0.00 46.02 44.39 1w29 n GLY 85 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1w29 h GLN 86 N 0.00 0.00 -6.05 1.61 1.08 -2.00 -3.48 115.11 106.27 1w29 h GLN 86 Ca 0.00 0.00 -0.54 0.00 -1.45 0.00 0.00 58.65 56.66 1w29 h GLN 86 Cb 0.00 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 27.36 1w29 h GLN 86 CO 0.00 0.00 -0.50 0.95 -0.95 0.00 0.00 178.83 178.33 1w29 s THR 87 N -3.27 2.77 0.32 -0.54 -4.23 -1.26 -5.04 115.64 104.39 1w29 s THR 87 Ca 0.03 -1.64 0.17 0.00 -1.18 0.00 0.00 61.69 59.07 1w29 s THR 87 Cb 0.11 -2.99 0.17 0.00 1.34 0.00 0.00 72.50 71.13 1w29 s THR 87 CO 0.76 -0.10 1.45 -0.65 -0.54 0.00 0.00 174.62 175.54 1w29 h PRO 88 N 1.43 0.00 -0.92 3.99 0.11 -2.04 -3.36 132.00 131.21 1w29 h PRO 88 Ca -0.43 0.00 0.13 0.00 0.11 0.00 0.00 66.00 65.81 1w29 h PRO 88 Cb 1.25 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.29 1w29 h PRO 88 CO 0.64 0.00 0.59 1.25 -0.21 0.00 0.00 178.00 180.27 1w29 h HIS 89 N 0.00 0.94 -0.61 0.65 2.76 -1.98 -2.05 115.15 114.85 1w29 h HIS 89 Ca 0.00 0.03 0.12 0.00 -2.20 0.00 0.00 60.37 58.32 1w29 h HIS 89 Cb 0.81 -0.30 -0.12 0.00 1.55 0.00 0.00 27.41 29.36 1w29 h HIS 89 CO 0.00 0.37 -0.17 0.35 -1.30 0.00 0.00 177.93 177.18 1w29 h PHE 90 N 0.81 -0.38 -0.67 5.26 3.57 -1.93 -1.02 116.94 122.59 1w29 h PHE 90 Ca 0.45 0.06 0.11 0.00 3.53 0.00 0.00 57.97 62.12 1w29 h PHE 90 Cb 0.59 0.26 -0.08 0.00 2.79 0.00 0.00 35.95 39.51 1w29 h PHE 90 CO -0.00 -0.28 0.25 -0.44 -2.23 0.00 0.00 178.31 175.61 1w29 h ASP 91 N -0.02 0.23 1.41 0.41 3.32 -1.68 -1.67 116.42 118.42 1w29 h ASP 91 Ca 0.29 0.09 -0.07 0.00 0.02 0.00 0.00 57.03 57.36 1w29 h ASP 91 Cb 0.46 0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 1w29 h ASP 91 CO -0.64 0.12 -0.33 1.88 -1.72 0.00 0.00 179.24 178.55 1w29 h TYR 92 N 0.42 0.00 -0.16 4.55 0.05 -1.30 -1.83 116.97 118.69 1w29 h TYR 92 Ca 0.35 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 59.07 1w29 h TYR 92 Cb 0.48 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.22 1w29 h TYR 92 CO -0.17 0.33 -0.14 0.28 -1.05 0.00 0.00 178.16 177.41 1w29 h VAL 93 N 0.00 1.33 -0.43 -2.88 2.07 -0.50 -2.19 116.25 113.65 1w29 h VAL 93 Ca -0.00 -1.27 -0.09 0.00 0.82 0.00 0.00 66.70 66.15 1w29 h VAL 93 Cb 1.12 1.80 -0.01 0.00 -1.52 0.00 0.00 31.29 32.68 1w29 h VAL 93 CO 0.04 0.38 -0.09 0.00 0.02 0.00 0.00 177.57 177.92 1w29 h ASP 95 N 0.66 0.41 0.36 0.00 5.19 -1.40 0.00 116.42 121.64 1w29 h ASP 95 Ca 0.11 0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.54 1w29 h ASP 95 Cb 0.62 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 40.06 1w29 h ASP 95 CO 0.04 0.28 -0.26 0.00 -3.12 0.00 0.00 179.24 176.18 1w29 h ALA 96 N 1.27 -0.60 -0.60 3.45 0.00 -1.01 -1.78 119.26 119.97 1w29 h ALA 96 Ca 0.22 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.04 1w29 h ALA 96 Cb 0.11 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1w29 h ALA 96 CO -0.14 -0.86 0.38 0.28 0.00 0.00 0.00 179.25 178.91 1w29 h VAL 97 N -0.61 1.11 -0.02 0.00 2.07 -1.32 -1.31 116.25 116.16 1w29 h VAL 97 Ca -0.03 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 1w29 h VAL 97 Cb 0.52 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1w29 h VAL 97 CO 0.01 0.14 0.00 0.74 0.02 0.00 0.00 177.57 178.48 1w29 h THR 98 N 0.77 1.21 -0.50 2.57 2.02 -0.87 -2.12 112.91 115.98 1w29 h THR 98 Ca 0.23 -0.62 -0.02 0.00 0.77 0.00 0.00 66.41 66.77 1w29 h THR 98 Cb -0.03 1.58 -0.02 0.00 -1.74 0.00 0.00 68.15 67.93 1w29 h THR 98 CO -0.08 0.16 0.21 1.56 0.37 0.00 0.00 175.52 177.75 1w29 h GLN 99 N -0.21 0.70 -0.09 6.66 4.20 -1.20 -2.22 115.11 122.95 1w29 h GLN 99 Ca 0.01 -0.09 -0.02 0.00 0.06 0.00 0.00 58.65 58.60 1w29 h GLN 99 Cb 0.26 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 27.91 1w29 h GLN 99 CO 0.00 0.57 -0.03 0.78 -0.67 0.00 0.00 178.83 179.48 1w29 h GLY 100 N 0.83 0.19 1.75 3.46 0.00 -1.08 -2.12 103.07 106.10 1w29 h GLY 100 Ca 0.17 -0.16 -0.21 0.00 0.00 0.00 0.00 47.33 47.14 1w29 h GLY 100 CO -0.02 0.14 -0.91 1.41 0.00 0.00 0.00 176.54 177.17 1w29 h LEU 101 N -0.17 0.29 -0.33 3.11 3.38 -1.35 -0.11 115.31 120.12 1w29 h LEU 101 Ca 0.02 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 1w29 h LEU 101 Cb 0.45 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1w29 h LEU 101 CO 0.01 1.05 0.17 0.74 0.09 0.00 0.00 178.44 180.51 1w29 h THR 102 N 0.12 1.14 -0.49 0.22 2.02 -1.47 -2.45 112.91 112.00 1w29 h THR 102 Ca -0.05 -0.38 -0.07 0.00 0.77 0.00 0.00 66.41 66.67 1w29 h THR 102 Cb 1.55 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 68.74 1w29 h THR 102 CO 0.14 0.15 0.01 -0.09 0.37 0.00 0.00 175.52 176.10 1w29 h ARG 103 N 0.40 0.86 -0.74 6.66 2.43 -1.19 -3.10 114.38 119.71 1w29 h ARG 103 Ca 0.11 -0.27 0.01 0.00 -0.81 0.00 0.00 59.98 59.03 1w29 h ARG 103 Cb 0.08 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.51 1w29 h ARG 103 CO -0.02 0.89 0.49 0.28 -1.51 0.00 0.00 179.97 180.10 1w29 h VAL 104 N 0.72 1.18 -0.11 0.20 2.07 -1.01 -2.10 116.25 117.21 1w29 h VAL 104 Ca 0.14 -0.34 -0.19 0.00 0.82 0.00 0.00 66.70 67.13 1w29 h VAL 104 Cb 0.49 0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1w29 h VAL 104 CO 0.02 0.18 -0.72 0.77 0.02 0.00 0.00 177.57 177.84 1w29 h SER 105 N 0.99 0.64 0.65 0.57 4.64 -1.39 -2.63 113.55 117.01 1w29 h SER 105 Ca 0.27 -0.41 -0.27 0.00 -0.47 0.00 0.00 61.79 60.92 1w29 h SER 105 Cb -0.10 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 61.79 1w29 h SER 105 CO -0.06 1.16 -1.33 -0.07 -0.87 0.00 0.00 176.83 175.66 1w29 h LEU 106 N 0.37 0.26 -0.77 5.97 3.38 -1.47 0.28 115.31 123.33 1w29 h LEU 106 Ca -0.03 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1w29 h LEU 106 Cb 1.31 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.94 1w29 h LEU 106 CO 0.13 1.26 0.48 0.44 0.09 0.00 0.00 178.44 180.84 1w29 h ASP 107 N 0.04 0.90 -0.03 -0.43 3.45 -1.42 -2.89 116.42 116.05 1w29 h ASP 107 Ca -0.15 -0.05 0.00 0.00 0.43 0.00 0.00 57.03 57.26 1w29 h ASP 107 Cb 1.94 -0.23 0.00 0.00 -0.56 0.00 0.00 39.33 40.48 1w29 h ASP 107 CO 0.16 0.68 -0.08 -1.54 -1.57 0.00 0.00 179.24 176.89 1w29 n SER 108 N -4.52 2.81 -3.99 6.45 3.41 -0.99 -4.97 113.62 111.82 1w29 n SER 108 Ca 0.07 -1.91 -0.30 0.00 -0.26 0.00 0.00 58.87 56.48 1w29 n SER 108 Cb 0.04 0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 1w29 n SER 108 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1w29 n SER 109 N 1.11 -2.85 -3.96 4.04 7.64 0.88 -4.95 113.62 115.52 1w29 n SER 109 Ca 0.13 -0.91 -0.19 0.00 1.01 0.00 0.00 58.87 58.92 1w29 n SER 109 Cb 0.57 -3.37 -0.15 0.00 -1.01 0.00 0.00 64.21 60.24 1w29 n SER 109 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1w29 s THR 110 N -3.50 0.60 0.20 0.44 2.01 -0.46 -5.01 115.64 109.91 1w29 s THR 110 Ca 0.45 -0.26 -0.32 0.00 0.31 0.00 0.00 61.69 61.88 1w29 s THR 110 Cb -0.24 -0.55 -0.12 0.00 0.01 0.00 0.00 72.50 71.61 1w29 s THR 110 CO 0.87 0.20 1.71 -2.84 -0.69 0.00 0.00 174.62 173.87 1w29 s PRO 111 N 0.25 4.14 -0.33 4.92 0.02 -1.26 -4.37 135.00 138.37 1w29 s PRO 111 Ca -0.03 2.57 0.02 0.00 0.02 0.00 0.00 61.00 63.58 1w29 s PRO 111 Cb -0.08 -3.12 0.09 0.00 0.02 0.00 0.00 34.50 31.41 1w29 s PRO 111 CO 0.00 -0.74 0.03 0.42 -0.33 0.00 0.00 177.00 176.38 1w29 s ILE 112 N 1.28 2.49 -0.02 2.83 -1.09 -1.25 -1.42 121.20 124.02 1w29 s ILE 112 Ca 0.75 -2.01 -0.30 0.00 -2.23 0.00 0.00 60.65 56.85 1w29 s ILE 112 Cb -0.49 -2.68 -0.04 0.00 -1.58 0.00 0.00 42.46 37.68 1w29 s ILE 112 CO 0.32 -0.41 1.19 0.00 -1.23 0.00 0.00 174.94 174.81 1w29 s ALA 113 N 1.03 3.44 -0.48 9.38 0.00 -0.28 -4.93 121.76 129.92 1w29 s ALA 113 Ca 0.04 0.68 -0.20 0.00 0.00 0.00 0.00 51.96 52.48 1w29 s ALA 113 Cb -0.20 -3.48 0.04 0.00 0.00 0.00 0.00 23.12 19.48 1w29 s ALA 113 CO -0.06 -0.63 0.63 1.21 0.00 0.00 0.00 175.76 176.91 1w29 s ASN 114 N 1.33 6.26 -0.34 0.00 3.04 -1.26 -0.68 114.94 123.28 1w29 s ASN 114 Ca 0.56 -0.67 0.06 0.00 0.04 0.00 0.00 52.86 52.86 1w29 s ASN 114 Cb -0.26 -2.30 0.46 0.00 -1.54 0.00 0.00 41.25 37.61 1w29 s ASN 114 CO 0.25 -0.84 1.35 0.61 -3.04 0.00 0.00 177.10 175.42 1w29 n GLY 115 N 5.12 5.99 3.51 1.21 0.00 0.18 -4.85 105.19 116.34 1w29 n GLY 115 Ca -0.05 -2.27 -0.43 0.00 0.00 0.00 0.00 46.02 43.27 1w29 n GLY 115 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1w29 s VAL 116 N -4.30 4.70 0.27 1.61 1.01 -1.24 -2.73 120.40 119.73 1w29 s VAL 116 Ca 0.51 0.07 -0.30 0.00 0.00 0.00 0.00 61.98 62.26 1w29 s VAL 116 Cb 0.42 -4.33 -0.11 0.00 0.00 0.00 0.00 36.38 32.36 1w29 s VAL 116 CO 0.01 -0.79 1.54 -0.76 0.00 0.00 0.00 175.10 175.11 1w29 s LEU 117 N 3.13 4.36 -0.34 3.92 1.43 0.64 -4.92 118.68 126.90 1w29 s LEU 117 Ca 0.24 2.83 -0.01 0.00 -1.03 0.00 0.00 54.13 56.16 1w29 s LEU 117 Cb -0.14 -3.63 0.12 0.00 0.03 0.00 0.00 46.19 42.56 1w29 s LEU 117 CO 0.18 -0.83 0.16 0.42 0.23 0.00 0.00 176.35 176.51 1w29 s THR 118 N 0.08 0.60 0.29 5.49 -4.23 -1.26 -0.13 115.64 116.47 1w29 s THR 118 Ca 0.62 -1.56 0.11 0.00 -1.18 0.00 0.00 61.69 59.69 1w29 s THR 118 Cb -0.45 -1.45 -0.05 0.00 1.34 0.00 0.00 72.50 71.88 1w29 s THR 118 CO 0.45 -0.81 -0.15 0.42 -0.54 0.00 0.00 174.62 173.99 1w29 s THR 119 N 1.35 2.61 0.13 3.99 -4.23 -0.10 -5.01 115.64 114.37 1w29 s THR 119 Ca 0.13 -2.30 0.06 0.00 -1.18 0.00 0.00 61.69 58.40 1w29 s THR 119 Cb -0.20 -2.43 -0.20 0.00 1.34 0.00 0.00 72.50 71.01 1w29 s THR 119 CO -0.17 -0.37 1.29 0.78 -0.54 0.00 0.00 174.62 175.61 1w29 h ASN 120 N 2.17 0.06 -4.87 3.99 2.35 -1.91 0.12 115.58 117.49 1w29 h ASN 120 Ca -0.41 -0.06 -0.21 0.00 -0.55 0.00 0.00 56.30 55.07 1w29 h ASN 120 Cb 1.26 -0.02 -0.15 0.00 0.05 0.00 0.00 38.32 39.46 1w29 h ASN 120 CO 0.61 1.01 -0.67 0.42 -1.65 0.00 0.00 177.43 177.15 1w29 s THR 121 N -2.78 0.47 0.13 2.81 -4.23 -1.26 -3.95 115.64 106.84 1w29 s THR 121 Ca 0.00 -1.92 -0.11 0.00 -1.18 0.00 0.00 61.69 58.48 1w29 s THR 121 Cb 0.10 -1.85 -0.07 0.00 1.34 0.00 0.00 72.50 72.03 1w29 s THR 121 CO 0.82 -0.70 1.44 -0.08 -0.54 0.00 0.00 174.62 175.56 1w29 h GLU 122 N 2.91 0.92 -0.72 3.99 4.81 -1.94 -3.04 114.58 121.51 1w29 h GLU 122 Ca -0.35 -0.53 0.12 0.00 -0.13 0.00 0.00 59.36 58.47 1w29 h GLU 122 Cb 1.18 0.04 -0.08 0.00 0.63 0.00 0.00 28.75 30.52 1w29 h GLU 122 CO 0.63 1.18 0.32 0.93 -0.73 0.00 0.00 179.01 181.34 1w29 h GLU 123 N 0.73 0.49 -0.58 1.92 5.08 -1.99 -0.82 114.58 119.40 1w29 h GLU 123 Ca 0.04 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1w29 h GLU 123 Cb 1.06 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.17 1w29 h GLU 123 CO 0.11 0.33 0.35 1.96 -1.00 0.00 0.00 179.01 180.76 1w29 h GLN 124 N 0.51 0.79 -0.29 2.33 4.20 -1.98 -1.47 115.11 119.20 1w29 h GLN 124 Ca 0.38 -0.07 -0.18 0.00 0.06 0.00 0.00 58.65 58.83 1w29 h GLN 124 Cb 0.50 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.11 1w29 h GLN 124 CO -0.34 0.57 -0.53 0.00 -0.67 0.00 0.00 178.83 177.86 1w29 h ALA 125 N 1.18 0.46 -0.21 3.87 0.00 -1.13 -2.75 119.26 120.67 1w29 h ALA 125 Ca 0.21 -0.51 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 1w29 h ALA 125 Cb -0.02 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1w29 h ALA 125 CO -0.04 0.67 -0.11 -0.07 0.00 0.00 0.00 179.25 179.69 1w29 h LEU 126 N 0.66 0.31 -0.27 0.00 3.38 -1.01 -2.31 115.31 116.08 1w29 h LEU 126 Ca 0.02 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1w29 h LEU 126 Cb 1.14 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1w29 h LEU 126 CO 0.12 0.46 0.00 -0.67 0.09 0.00 0.00 178.44 178.44 1w29 n ASP 127 N -4.26 0.49 -0.61 -0.43 2.03 -0.57 -2.99 116.55 110.21 1w29 n ASP 127 Ca -0.00 0.58 0.07 0.00 0.52 0.00 0.00 54.79 55.96 1w29 n ASP 127 Cb 0.28 -0.70 0.18 0.00 -0.72 0.00 0.00 41.12 40.15 1w29 n ASP 127 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1w29 n ARG 128 N -2.00 2.75 0.00 -0.67 1.74 -0.88 -1.92 116.66 115.69 1w29 n ARG 128 Ca 0.04 -2.36 0.04 0.00 -0.77 0.00 0.00 57.85 54.80 1w29 n ARG 128 Cb 0.29 -1.49 -0.00 0.00 -1.02 0.00 0.00 32.46 30.23 1w29 n ARG 128 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1w29 n ALA 129 N -0.20 2.72 -2.92 7.54 0.00 -1.06 -1.75 120.51 124.85 1w29 n ALA 129 Ca 0.15 -0.39 -0.19 0.00 0.00 0.00 0.00 53.44 53.01 1w29 n ALA 129 Cb 0.62 -0.27 0.03 0.00 0.00 0.00 0.00 19.45 19.82 1w29 n ALA 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1w29 n GLY 130 N 0.82 -0.34 3.69 0.00 0.00 0.13 -3.73 105.19 105.75 1w29 n GLY 130 Ca 0.03 -0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 1w29 n GLY 130 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1w29 s LEU 131 N -5.78 1.92 0.30 0.99 1.43 -1.26 -4.91 118.68 111.36 1w29 s LEU 131 Ca 0.26 1.38 0.02 0.00 -1.03 0.00 0.00 54.13 54.77 1w29 s LEU 131 Cb -0.12 -3.68 0.58 0.00 0.03 0.00 0.00 46.19 43.01 1w29 s LEU 131 CO 0.33 -2.94 1.87 -0.65 0.23 0.00 0.00 176.35 175.19 1w29 h PRO 132 N -1.76 0.94 -0.01 1.29 0.11 -1.95 -2.07 132.00 128.55 1w29 h PRO 132 Ca -0.52 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.53 1w29 h PRO 132 Cb 1.30 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1w29 h PRO 132 CO 0.55 0.62 -0.14 0.25 -0.21 0.00 0.00 178.00 179.07 1w29 n THR 133 N -4.55 0.00 -1.74 -1.15 -2.24 -1.26 -4.97 114.28 98.36 1w29 n THR 133 Ca 0.16 -0.22 -0.39 0.00 -2.27 0.00 0.00 64.05 61.33 1w29 n THR 133 Cb 0.30 0.60 0.04 0.00 -2.10 0.00 0.00 70.33 69.17 1w29 n THR 133 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1w29 n SER 134 N -0.08 2.74 0.04 3.42 7.64 -0.78 -4.98 113.62 121.61 1w29 n SER 134 Ca 0.15 1.00 -0.10 0.00 1.01 0.00 0.00 58.87 60.93 1w29 n SER 134 Cb 0.38 -1.57 0.02 0.00 -1.01 0.00 0.00 64.21 62.03 1w29 n SER 134 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1w29 h ALA 135 N 1.59 0.59 -2.80 -0.43 0.00 -1.71 -3.47 119.26 113.03 1w29 h ALA 135 Ca -0.51 -0.59 -0.38 0.00 0.00 0.00 0.00 54.91 53.43 1w29 h ALA 135 Cb 1.30 -0.06 -0.13 0.00 0.00 0.00 0.00 17.79 18.90 1w29 h ALA 135 CO 0.58 0.74 -0.51 -1.83 0.00 0.00 0.00 179.25 178.23 1w29 s GLU 136 N -3.68 1.58 -0.28 0.00 -1.05 -0.89 -5.06 118.70 109.32 1w29 s GLU 136 Ca -0.06 -1.87 -0.02 0.00 -0.15 0.00 0.00 54.97 52.87 1w29 s GLU 136 Cb 0.10 0.31 0.09 0.00 -0.44 0.00 0.00 34.13 34.20 1w29 s GLU 136 CO 0.84 -0.57 0.08 0.34 0.95 0.00 0.00 175.26 176.91 1w29 s ASP 137 N -3.29 3.73 0.17 0.83 -1.08 -1.26 -0.70 116.67 115.07 1w29 s ASP 137 Ca 0.40 -1.41 0.24 0.00 -0.52 0.00 0.00 52.55 51.26 1w29 s ASP 137 Cb 0.04 -0.76 0.91 0.00 -1.46 0.00 0.00 42.92 41.65 1w29 s ASP 137 CO 0.22 -0.39 1.74 0.29 0.52 0.00 0.00 175.17 177.55 1w29 n LYS 138 N 4.93 0.16 0.14 4.34 4.76 -0.72 -1.85 118.16 129.92 1w29 n LYS 138 Ca -0.04 0.26 -0.13 0.00 -2.87 0.00 0.00 58.31 55.52 1w29 n LYS 138 Cb 0.43 -1.74 -0.08 0.00 -1.84 0.00 0.00 35.03 31.80 1w29 n LYS 138 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 1w29 h GLY 139 N 3.56 -0.38 0.27 0.72 0.00 -1.82 -1.47 103.07 103.95 1w29 h GLY 139 Ca 0.00 0.14 0.13 0.00 0.00 0.00 0.00 47.33 47.60 1w29 h GLY 139 CO 0.00 -0.14 0.37 0.00 0.00 0.00 0.00 176.54 176.78 1w29 h ALA 140 N -0.03 1.13 -0.30 3.60 0.00 -1.57 -2.69 119.26 119.39 1w29 h ALA 140 Ca -0.04 0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 1w29 h ALA 140 Cb 0.46 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1w29 h ALA 140 CO 0.06 -0.11 -0.25 1.96 0.00 0.00 0.00 179.25 180.91 1w29 h GLN 141 N 0.56 0.70 -0.80 0.00 4.20 -1.41 -2.76 115.11 115.61 1w29 h GLN 141 Ca 0.42 -0.35 -0.01 0.00 0.06 0.00 0.00 58.65 58.76 1w29 h GLN 141 Cb 0.57 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.31 1w29 h GLN 141 CO -0.35 0.96 0.45 0.00 -0.67 0.00 0.00 178.83 179.22 1w29 h ALA 142 N 0.73 1.02 -0.53 3.87 0.00 -1.02 -2.56 119.26 120.77 1w29 h ALA 142 Ca 0.05 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1w29 h ALA 142 Cb 0.81 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1w29 h ALA 142 CO 0.06 0.52 0.04 1.15 0.00 0.00 0.00 179.25 181.02 1w29 h THR 143 N 1.10 1.26 -0.87 0.00 2.02 -1.48 -1.40 112.91 113.55 1w29 h THR 143 Ca 0.28 -1.03 0.13 0.00 0.77 0.00 0.00 66.41 66.55 1w29 h THR 143 Cb 0.01 0.90 -0.09 0.00 -1.74 0.00 0.00 68.15 67.23 1w29 h THR 143 CO -0.05 0.37 0.48 0.58 0.37 0.00 0.00 175.52 177.28 1w29 h VAL 144 N 0.78 0.82 0.23 3.16 2.07 -1.35 -1.86 116.25 120.10 1w29 h VAL 144 Ca 0.15 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 1w29 h VAL 144 Cb 0.47 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 1w29 h VAL 144 CO 0.02 0.14 -0.11 0.00 0.02 0.00 0.00 177.57 177.64 1w29 h ALA 145 N 1.52 -0.31 -0.58 1.67 0.00 -1.04 -2.05 119.26 118.47 1w29 h ALA 145 Ca 0.45 -0.15 0.10 0.00 0.00 0.00 0.00 54.91 55.31 1w29 h ALA 145 Cb 0.54 0.12 -0.11 0.00 0.00 0.00 0.00 17.79 18.33 1w29 h ALA 145 CO -0.31 -0.55 -0.33 0.00 0.00 0.00 0.00 179.25 178.06 1w29 h ALA 146 N 0.15 -0.05 -0.16 0.00 0.00 -1.18 -1.36 119.26 116.66 1w29 h ALA 146 Ca -0.03 0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 1w29 h ALA 146 Cb 0.41 0.78 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1w29 h ALA 146 CO 0.05 -0.68 -0.21 -0.07 0.00 0.00 0.00 179.25 178.34 1w29 h LEU 147 N -0.16 0.47 -0.57 0.00 3.38 -1.32 -1.11 115.31 115.99 1w29 h LEU 147 Ca 0.23 -0.51 0.05 0.00 0.09 0.00 0.00 57.88 57.75 1w29 h LEU 147 Cb 0.55 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.11 1w29 h LEU 147 CO -0.67 0.89 0.29 0.00 0.09 0.00 0.00 178.44 179.04 1w29 h ALA 148 N 0.60 0.75 -0.26 1.53 0.00 -1.29 -0.87 119.26 119.72 1w29 h ALA 148 Ca 0.02 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1w29 h ALA 148 Cb 0.78 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1w29 h ALA 148 CO 0.05 -0.05 0.02 1.15 0.00 0.00 0.00 179.25 180.41 1w29 h THR 149 N 0.55 1.25 -0.73 0.00 2.02 -1.12 0.11 112.91 115.00 1w29 h THR 149 Ca 0.26 -0.86 0.15 0.00 0.77 0.00 0.00 66.41 66.72 1w29 h THR 149 Cb 0.18 1.30 -0.10 0.00 -1.74 0.00 0.00 68.15 67.78 1w29 h THR 149 CO -0.18 0.27 0.21 0.00 0.37 0.00 0.00 175.52 176.19 1w29 h ALA 150 N 0.83 0.96 -0.14 6.16 0.00 -1.15 0.05 119.26 125.97 1w29 h ALA 150 Ca 0.08 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 1w29 h ALA 150 Cb 0.39 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1w29 h ALA 150 CO 0.01 -0.30 -0.03 -0.07 0.00 0.00 0.00 179.25 178.86 1w29 h LEU 151 N 0.31 0.27 -0.84 0.00 3.38 -0.37 -0.99 115.31 117.06 1w29 h LEU 151 Ca 0.40 -0.37 0.10 0.00 0.09 0.00 0.00 57.88 58.11 1w29 h LEU 151 Cb 0.66 -0.07 -0.08 0.00 0.09 0.00 0.00 40.66 41.27 1w29 h LEU 151 CO -0.47 0.57 0.49 0.74 0.09 0.00 0.00 178.44 179.86 1w29 h THR 152 N -0.04 0.90 -0.50 0.22 2.02 -0.53 -2.10 112.91 112.88 1w29 h THR 152 Ca 0.04 -0.28 -0.12 0.00 0.77 0.00 0.00 66.41 66.82 1w29 h THR 152 Cb 0.46 0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 66.87 1w29 h THR 152 CO 0.01 0.15 -0.14 -0.07 0.37 0.00 0.00 175.52 175.84 1w29 h LEU 153 N 0.81 0.97 -0.43 2.58 3.38 -0.70 -0.36 115.31 121.56 1w29 h LEU 153 Ca 0.41 -0.33 0.05 0.00 0.09 0.00 0.00 57.88 58.10 1w29 h LEU 153 Cb 0.39 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.82 1w29 h LEU 153 CO -0.25 1.10 0.15 -0.09 0.09 0.00 0.00 178.44 179.44 1w29 h ARG 154 N 0.85 0.30 -0.15 1.13 2.43 -0.72 -0.34 114.38 117.89 1w29 h ARG 154 Ca 0.13 -0.02 -0.14 0.00 -0.81 0.00 0.00 59.98 59.14 1w29 h ARG 154 Cb 0.69 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.16 1w29 h ARG 154 CO 0.05 0.20 -0.50 1.49 -1.51 0.00 0.00 179.97 179.70 1w29 h GLU 155 N 0.31 0.40 0.00 0.20 4.57 -1.03 -2.84 114.58 116.19 1w29 h GLU 155 Ca 0.20 -0.23 -0.02 0.00 -1.18 0.00 0.00 59.36 58.12 1w29 h GLU 155 Cb 0.19 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.80 1w29 h GLU 155 CO -0.20 0.81 -0.10 -0.07 -1.18 0.00 0.00 179.01 178.27 1w29 h LEU 156 N 0.32 0.00-10.66 1.64 3.38 -0.20 -3.47 115.31 106.33 1w29 h LEU 156 Ca 0.01 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.51 1w29 h LEU 156 Cb 1.00 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.80 1w29 h LEU 156 CO 0.09 0.10 -0.00 -0.13 0.09 0.00 0.00 178.44 178.59 1w29 s ARG 157 N -3.43 2.02 -0.31 1.13 0.52 -0.22 -4.97 118.95 113.70 1w29 s ARG 157 Ca 0.03 -1.32 -0.37 0.00 -0.52 0.00 0.00 55.73 53.55 1w29 s ARG 157 Cb 0.08 -2.49 -0.13 0.00 0.52 0.00 0.00 34.95 32.93 1w29 s ARG 157 CO 0.63 -1.12 2.03 0.00 0.02 0.00 0.00 175.30 176.86 1w29 n ALA 158 N -2.53 0.67 -2.41 2.13 0.00 -1.26 -4.98 120.51 112.13 1w29 n ALA 158 Ca 0.15 0.12 -0.18 0.00 0.00 0.00 0.00 53.44 53.53 1w29 n ALA 158 Cb 0.61 -2.43 -0.07 0.00 0.00 0.00 0.00 19.45 17.56 1w29 n ALA 158 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1w29 s HIS 159 N 5.86 1.55 0.00 0.00 -3.43 -1.26 -5.09 115.29 112.91 1w29 s HIS 159 Ca 1.05 -1.55 0.00 0.00 -0.80 0.00 0.00 55.06 53.76 1w29 s HIS 159 Cb -0.93 -0.56 0.00 0.00 -1.43 0.00 0.00 32.58 29.66 1w29 s HIS 159 CO 0.55 -0.91 0.00 0.43 -2.00 0.00 0.00 174.74 172.81