#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 0.37 -0.37 0.00 0.02 -1.86 -2.26 113.55 109.46 1w29 h SER 16 Ca 0.00 0.15 -0.09 0.00 -0.84 0.00 0.00 61.79 61.01 1w29 h SER 16 Cb 0.00 0.12 -0.06 0.00 0.14 0.00 0.00 62.40 62.60 1w29 h SER 16 CO 0.00 -0.13 0.03 0.61 -1.14 0.00 0.00 176.83 176.20 1w29 n GLY 17 N -1.42 4.25 3.79 -3.77 0.00 -1.26 -4.74 105.19 102.04 1w29 n GLY 17 Ca 0.33 -1.09 -0.38 0.00 0.00 0.00 0.00 46.02 44.88 1w29 n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1w29 s VAL 18 N -2.99 4.90 -0.38 1.61 0.11 -0.85 -5.05 120.40 117.75 1w29 s VAL 18 Ca 0.45 1.12 -0.22 0.00 -2.93 0.00 0.00 61.98 60.40 1w29 s VAL 18 Cb 0.38 -3.86 0.01 0.00 -1.53 0.00 0.00 36.38 31.38 1w29 s VAL 18 CO 0.07 0.49 0.69 -0.13 -3.33 0.00 0.00 175.10 172.89 1w29 s ARG 19 N -0.62 3.59 -0.09 1.54 0.52 -1.26 -5.01 118.95 117.63 1w29 s ARG 19 Ca 0.28 0.02 -0.00 0.00 -0.52 0.00 0.00 55.73 55.51 1w29 s ARG 19 Cb -0.18 -3.85 -0.03 0.00 0.52 0.00 0.00 34.95 31.41 1w29 s ARG 19 CO 0.16 -0.86 -0.06 -1.17 0.02 0.00 0.00 175.30 173.39 1w29 s LEU 20 N 2.91 3.18 0.02 2.53 2.96 -1.26 -1.17 118.68 127.86 1w29 s LEU 20 Ca 0.27 -0.05 0.05 0.00 -0.22 0.00 0.00 54.13 54.19 1w29 s LEU 20 Cb -0.14 -1.71 -0.02 0.00 0.50 0.00 0.00 46.19 44.82 1w29 s LEU 20 CO 0.17 0.32 -0.16 0.00 -1.32 0.00 0.00 176.35 175.36 1w29 s ALA 21 N -0.55 1.37 -0.12 5.97 0.00 -0.81 -1.34 121.76 126.27 1w29 s ALA 21 Ca 0.08 -0.84 -0.00 0.00 0.00 0.00 0.00 51.96 51.20 1w29 s ALA 21 Cb -0.12 -0.27 0.02 0.00 0.00 0.00 0.00 23.12 22.76 1w29 s ALA 21 CO 0.02 0.30 -0.10 0.42 0.00 0.00 0.00 175.76 176.40 1w29 s ILE 22 N -0.69 1.20 -0.26 0.00 1.01 -0.11 -0.67 121.20 121.68 1w29 s ILE 22 Ca 0.05 -0.40 -0.02 0.00 0.00 0.00 0.00 60.65 60.27 1w29 s ILE 22 Cb -0.08 -1.17 0.03 0.00 0.01 0.00 0.00 42.46 41.25 1w29 s ILE 22 CO 0.01 0.39 -0.04 0.54 0.00 0.00 0.00 174.94 175.84 1w29 s VAL 23 N 1.57 2.98 -0.13 2.92 0.11 0.27 -1.08 120.40 127.04 1w29 s VAL 23 Ca 0.04 -1.07 -0.01 0.00 -2.93 0.00 0.00 61.98 58.01 1w29 s VAL 23 Cb -0.13 -2.55 -0.02 0.00 -1.53 0.00 0.00 36.38 32.15 1w29 s VAL 23 CO -0.08 0.13 -0.11 0.00 -3.33 0.00 0.00 175.10 171.71 1w29 s ALA 24 N 1.32 2.72 1.00 1.54 0.00 0.31 -0.75 121.76 127.91 1w29 s ALA 24 Ca -0.01 -0.88 -0.15 0.00 0.00 0.00 0.00 51.96 50.93 1w29 s ALA 24 Cb -0.17 -1.28 0.19 0.00 0.00 0.00 0.00 23.12 21.86 1w29 s ALA 24 CO -0.03 0.28 1.16 -1.54 0.00 0.00 0.00 175.76 175.63 1w29 s SER 25 N 0.23 2.75 0.00 0.00 1.04 -0.18 -1.67 113.70 115.87 1w29 s SER 25 Ca -0.07 0.76 0.00 0.00 0.48 0.00 0.00 55.95 57.12 1w29 s SER 25 Cb -0.15 -1.15 0.00 0.00 0.10 0.00 0.00 66.02 64.82 1w29 s SER 25 CO 0.05 -3.00 0.15 -1.20 0.98 0.00 0.00 173.24 170.21 1w29 n SER 26 N -4.03 0.29 -4.74 7.02 7.64 -0.42 -4.79 113.62 114.60 1w29 n SER 26 Ca 0.10 -0.64 -0.42 0.00 1.01 0.00 0.00 58.87 58.92 1w29 n SER 26 Cb 0.59 0.70 -0.02 0.00 -1.01 0.00 0.00 64.21 64.47 1w29 n SER 26 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 1w29 s TRP 27 N -0.70 2.77 -1.00 1.43 0.52 -0.94 -2.79 118.94 118.23 1w29 s TRP 27 Ca 0.00 0.67 -0.08 0.00 0.02 0.00 0.00 56.10 56.71 1w29 s TRP 27 Cb 0.00 -4.10 -0.04 0.00 -1.15 0.00 0.00 33.47 28.18 1w29 s TRP 27 CO 0.00 -3.82 0.84 0.72 0.02 0.00 0.00 176.95 174.71 1w29 n HIS 28 N 2.56 -2.44 0.21 -1.98 8.25 -1.26 -4.50 115.22 116.05 1w29 n HIS 28 Ca 0.10 0.83 0.06 0.00 -0.26 0.00 0.00 57.72 58.45 1w29 n HIS 28 Cb 0.37 -3.94 0.43 0.00 1.12 0.00 0.00 29.99 27.97 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 -0.92 0.00 0.95 -1.41 0.00 -1.90 -1.46 103.07 98.34 1w29 h GLY 29 Ca -0.50 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.79 1w29 h GLY 29 CO 0.42 0.00 0.11 1.70 0.00 0.00 0.00 176.54 178.77 1w29 h LYS 30 N 0.00 0.69 -0.41 4.80 3.64 -1.90 -2.10 116.57 121.30 1w29 h LYS 30 Ca -0.00 -0.17 -0.10 0.00 -1.27 0.00 0.00 60.65 59.11 1w29 h LYS 30 Cb 0.70 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.42 1w29 h LYS 30 CO 0.04 0.70 -0.13 0.82 -2.27 0.00 0.00 179.45 178.61 1w29 h ILE 31 N 0.57 1.28 -0.75 2.00 2.04 -1.65 -3.06 117.51 117.93 1w29 h ILE 31 Ca 0.14 -1.24 0.04 0.00 1.00 0.00 0.00 64.86 64.79 1w29 h ILE 31 Cb 0.32 1.23 -0.05 0.00 -0.74 0.00 0.00 36.82 37.58 1w29 h ILE 31 CO 0.00 0.42 0.47 0.00 0.00 0.00 0.00 178.15 179.04 1w29 h ASP 33 N 0.91 0.47 -0.36 0.00 3.32 -1.43 -1.09 116.42 118.24 1w29 h ASP 33 Ca 0.31 -0.08 -0.14 0.00 0.02 0.00 0.00 57.03 57.13 1w29 h ASP 33 Cb 0.05 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 1w29 h ASP 33 CO -0.12 0.54 -0.34 0.00 -1.72 0.00 0.00 179.24 177.59 1w29 h ALA 34 N 1.52 0.53 -0.54 3.45 0.00 -1.29 0.90 119.26 123.83 1w29 h ALA 34 Ca 0.11 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 1w29 h ALA 34 Cb 0.31 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1w29 h ALA 34 CO 0.01 0.59 0.27 -0.07 0.00 0.00 0.00 179.25 180.05 1w29 h LEU 35 N 0.66 0.69 -0.67 0.00 3.38 -1.19 -2.28 115.31 115.90 1w29 h LEU 35 Ca 0.06 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.84 1w29 h LEU 35 Cb 0.93 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.47 1w29 h LEU 35 CO 0.09 0.61 0.12 0.25 0.09 0.00 0.00 178.44 179.60 1w29 h LEU 36 N 0.72 1.06 -0.85 1.67 5.85 -1.15 -1.28 115.31 121.33 1w29 h LEU 36 Ca 0.19 -0.26 0.07 0.00 0.84 0.00 0.00 57.88 58.72 1w29 h LEU 36 Cb 0.09 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 40.78 1w29 h LEU 36 CO -0.03 1.05 0.52 -0.78 -0.34 0.00 0.00 178.44 178.86 1w29 h ASP 37 N 1.04 0.80 -0.21 1.25 -0.00 -0.47 0.58 116.42 119.40 1w29 h ASP 37 Ca 0.21 0.02 -0.20 0.00 -0.00 0.00 0.00 57.03 57.06 1w29 h ASP 37 Cb 0.43 -0.14 0.00 0.00 -0.00 0.00 0.00 39.33 39.62 1w29 h ASP 37 CO 0.01 0.50 -0.65 1.23 -0.00 0.00 0.00 179.24 180.33 1w29 h GLY 38 N 0.93 0.91 1.01 -0.78 0.00 -1.16 -2.19 103.07 101.79 1w29 h GLY 38 Ca 0.38 -1.16 0.03 0.00 0.00 0.00 0.00 47.33 46.58 1w29 h GLY 38 CO -0.19 1.04 0.58 0.00 0.00 0.00 0.00 176.54 177.98 1w29 h ALA 39 N 0.64 1.44 -0.04 3.60 0.00 -1.02 -1.28 119.26 122.59 1w29 h ALA 39 Ca -0.02 -0.04 -0.24 0.00 0.00 0.00 0.00 54.91 54.61 1w29 h ALA 39 Cb 1.27 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 18.76 1w29 h ALA 39 CO 0.14 0.47 -0.93 0.00 0.00 0.00 0.00 179.25 178.94 1w29 h ARG 40 N 1.11 0.62 -0.45 0.00 3.08 -0.74 -0.78 114.38 117.22 1w29 h ARG 40 Ca 0.35 -0.61 -0.09 0.00 0.07 0.00 0.00 59.98 59.70 1w29 h ARG 40 Cb 0.02 0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 1w29 h ARG 40 CO -0.10 1.22 -0.07 0.87 -1.07 0.00 0.00 179.97 180.81 1w29 h LYS 41 N 0.38 0.85 -0.25 0.04 1.57 -1.36 -0.93 116.57 116.87 1w29 h LYS 41 Ca -0.09 -0.31 -0.01 0.00 -1.87 0.00 0.00 60.65 58.37 1w29 h LYS 41 Cb 1.56 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.80 1w29 h LYS 41 CO 0.18 0.94 0.10 0.28 -0.57 0.00 0.00 179.45 180.38 1w29 h VAL 42 N 0.69 1.17 -0.29 0.50 2.07 -1.14 -0.10 116.25 119.15 1w29 h VAL 42 Ca 0.12 -0.51 0.07 0.00 0.82 0.00 0.00 66.70 67.20 1w29 h VAL 42 Cb 0.60 1.03 -0.07 0.00 -1.52 0.00 0.00 31.29 31.33 1w29 h VAL 42 CO 0.04 0.17 -0.20 0.00 0.02 0.00 0.00 177.57 177.60 1w29 h ALA 43 N 0.95 -0.01 -0.11 1.67 0.00 -1.11 -2.16 119.26 118.48 1w29 h ALA 43 Ca 0.08 0.10 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 1w29 h ALA 43 Cb 0.17 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1w29 h ALA 43 CO -0.01 -0.60 -0.29 0.00 0.00 0.00 0.00 179.25 178.35 1w29 h ALA 44 N 0.98 1.30 -0.42 0.00 0.00 -0.84 -0.51 119.26 119.78 1w29 h ALA 44 Ca 0.15 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 1w29 h ALA 44 Cb 0.41 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1w29 h ALA 44 CO -0.39 0.48 -0.10 0.78 0.00 0.00 0.00 179.25 180.02 1w29 h GLY 45 N 1.01 0.79 -1.80 0.00 0.00 -0.42 -2.61 103.07 100.05 1w29 h GLY 45 Ca 0.03 -0.59 0.00 0.00 0.00 0.00 0.00 47.33 46.77 1w29 h GLY 45 CO 0.04 0.54 0.00 0.00 0.00 0.00 0.00 176.54 177.12 1w29 n GLY 47 N 0.47 0.77 3.26 0.00 0.00 -0.98 -3.52 105.19 105.18 1w29 n GLY 47 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 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 5.92 0.15 0.99 1.43 -0.23 -4.78 118.68 122.17 1w29 s LEU 48 Ca 0.00 -1.86 0.14 0.00 -1.03 0.00 0.00 54.13 51.39 1w29 s LEU 48 Cb 0.00 -2.10 -0.07 0.00 0.03 0.00 0.00 46.19 44.05 1w29 s LEU 48 CO 0.00 -0.77 1.12 0.44 0.23 0.00 0.00 176.35 177.37 1w29 h ASP 49 N 8.65 0.00 -2.08 2.29 3.45 -1.86 -2.74 116.42 124.13 1w29 h ASP 49 Ca -0.25 0.00 -0.57 0.00 0.43 0.00 0.00 57.03 56.64 1w29 h ASP 49 Cb 1.09 0.00 -0.39 0.00 -0.56 0.00 0.00 39.33 39.47 1w29 h ASP 49 CO 0.94 0.63 -1.07 0.47 -1.57 0.00 0.00 179.24 178.64 1w29 n ASP 50 N -3.09 0.13 -4.70 6.45 9.92 -1.26 -4.95 116.55 119.04 1w29 n ASP 50 Ca -0.04 -2.64 -0.33 0.00 -0.53 0.00 0.00 54.79 51.25 1w29 n ASP 50 Cb 0.82 -0.62 0.13 0.00 -0.64 0.00 0.00 41.12 40.81 1w29 n ASP 50 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1w29 s PRO 51 N -0.96 1.55 -0.18 -0.24 0.04 -1.26 -4.94 135.00 129.02 1w29 s PRO 51 Ca 0.35 1.66 -0.29 0.00 0.04 0.00 0.00 61.00 62.75 1w29 s PRO 51 Cb 0.14 -1.78 -0.04 0.00 0.04 0.00 0.00 34.50 32.87 1w29 s PRO 51 CO -0.13 -2.26 1.71 0.99 0.04 0.00 0.00 177.00 177.36 1w29 s THR 52 N -2.33 3.56 -0.11 1.26 2.01 -0.45 -4.95 115.64 114.63 1w29 s THR 52 Ca 0.71 0.63 0.00 0.00 0.31 0.00 0.00 61.69 63.34 1w29 s THR 52 Cb -0.26 -3.55 -0.02 0.00 0.01 0.00 0.00 72.50 68.68 1w29 s THR 52 CO 0.52 -0.21 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.43 1w29 s VAL 53 N 5.29 3.14 -0.03 3.82 1.01 -1.26 -0.93 120.40 131.44 1w29 s VAL 53 Ca 0.76 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 62.11 1w29 s VAL 53 Cb -0.28 -2.30 0.01 0.00 0.00 0.00 0.00 36.38 33.80 1w29 s VAL 53 CO 0.31 0.54 -0.07 -0.69 0.00 0.00 0.00 175.10 175.19 1w29 s VAL 54 N 0.09 0.61 -0.14 2.92 1.01 -0.24 -4.98 120.40 119.67 1w29 s VAL 54 Ca -0.05 -0.25 -0.04 0.00 0.00 0.00 0.00 61.98 61.63 1w29 s VAL 54 Cb -0.15 -0.57 -0.03 0.00 0.00 0.00 0.00 36.38 35.63 1w29 s VAL 54 CO 0.04 0.21 0.00 -0.13 0.00 0.00 0.00 175.10 175.23 1w29 s ARG 55 N 0.34 3.57 0.47 2.72 1.81 -1.26 -0.53 118.95 126.07 1w29 s ARG 55 Ca -0.05 -0.43 0.04 0.00 -1.72 0.00 0.00 55.73 53.57 1w29 s ARG 55 Cb -0.09 -2.97 -0.04 0.00 -0.45 0.00 0.00 34.95 31.40 1w29 s ARG 55 CO 0.00 0.39 0.02 0.14 -0.68 0.00 0.00 175.30 175.17 1w29 s VAL 56 N 0.00 1.57 -0.11 3.52 -7.23 -0.67 -4.96 120.40 112.52 1w29 s VAL 56 Ca 0.03 -1.98 -0.28 0.00 -1.81 0.00 0.00 61.98 57.95 1w29 s VAL 56 Cb -0.13 -2.55 -0.24 0.00 0.56 0.00 0.00 36.38 34.03 1w29 s VAL 56 CO 0.02 0.00 0.89 0.25 -0.31 0.00 0.00 175.10 175.95 1w29 h LEU 57 N 1.52 -0.00 -8.13 1.32 5.85 -1.93 -1.10 115.31 112.84 1w29 h LEU 57 Ca -0.44 -0.84 -0.24 0.00 0.84 0.00 0.00 57.88 57.20 1w29 h LEU 57 Cb 1.28 0.00 -0.21 0.00 0.37 0.00 0.00 40.66 42.10 1w29 h LEU 57 CO 0.77 0.85 -0.72 -0.83 -0.34 0.00 0.00 178.44 178.16 1w29 s GLY 58 N -3.93 0.44 0.55 3.75 0.00 -1.26 -1.38 107.32 105.49 1w29 s GLY 58 Ca -0.18 -0.75 0.30 0.00 0.00 0.00 0.00 44.72 44.10 1w29 s GLY 58 CO 0.67 -0.81 1.89 0.00 0.00 0.00 0.00 173.10 174.86 1w29 h ALA 59 N 4.45 2.68 -0.13 3.20 0.00 -1.92 -0.61 119.26 126.93 1w29 h ALA 59 Ca -0.35 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.45 1w29 h ALA 59 Cb 1.20 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1w29 h ALA 59 CO 0.42 -1.00 -0.30 0.82 0.00 0.00 0.00 179.25 179.19 1w29 h ILE 60 N 0.00 1.26 0.00 0.00 2.04 -1.96 -0.97 117.51 117.88 1w29 h ILE 60 Ca 0.37 -1.25 0.00 0.00 1.00 0.00 0.00 64.86 64.98 1w29 h ILE 60 Cb 1.56 1.50 0.00 0.00 -0.74 0.00 0.00 36.82 39.13 1w29 h ILE 60 CO -0.00 0.38 0.00 -0.62 0.00 0.00 0.00 178.15 177.90 1w29 n GLU 61 N -4.12 0.17 -0.21 2.37 4.71 -0.24 -4.16 120.64 119.17 1w29 n GLU 61 Ca -0.01 0.42 -0.04 0.00 -0.01 0.00 0.00 57.16 57.52 1w29 n GLU 61 Cb 0.40 -1.84 0.07 0.00 -1.01 0.00 0.00 31.44 29.06 1w29 n GLU 61 CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 1w29 h ILE 62 N 0.00 1.03 -0.41 -3.67 2.04 -1.24 -3.24 117.51 112.02 1w29 h ILE 62 Ca 0.00 -0.23 -0.11 0.00 1.00 0.00 0.00 64.86 65.52 1w29 h ILE 62 Cb 0.33 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 36.68 1w29 h ILE 62 CO 0.00 0.12 -0.18 -0.65 0.00 0.00 0.00 178.15 177.44 1w29 h PRO 63 N 0.68 0.78 -0.00 2.37 0.11 -1.79 -0.19 132.00 133.97 1w29 h PRO 63 Ca 0.25 -0.30 -0.17 0.00 0.11 0.00 0.00 66.00 65.90 1w29 h PRO 63 Cb 0.08 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.12 1w29 h PRO 63 CO -0.13 0.91 -0.77 -0.24 -0.21 0.00 0.00 178.00 177.56 1w29 h VAL 64 N 0.69 1.52 -0.05 3.15 3.04 -1.85 0.18 116.25 122.93 1w29 h VAL 64 Ca 0.10 -2.54 -0.19 0.00 -1.01 0.00 0.00 66.70 63.06 1w29 h VAL 64 Cb 0.69 2.38 -0.00 0.00 -2.01 0.00 0.00 31.29 32.34 1w29 h VAL 64 CO 0.05 0.73 -0.79 0.58 -1.01 0.00 0.00 177.57 177.13 1w29 h VAL 65 N 0.04 1.39 -0.38 1.51 2.07 -1.55 -2.90 116.25 116.43 1w29 h VAL 65 Ca -0.02 -2.25 -0.15 0.00 0.82 0.00 0.00 66.70 65.11 1w29 h VAL 65 Cb 1.35 2.21 -0.01 0.00 -1.52 0.00 0.00 31.29 33.32 1w29 h VAL 65 CO 0.11 0.67 -0.36 0.00 0.02 0.00 0.00 177.57 178.01 1w29 h ALA 66 N 0.90 0.64 -0.97 1.67 0.00 -0.78 0.41 119.26 121.12 1w29 h ALA 66 Ca -0.04 -0.44 0.06 0.00 0.00 0.00 0.00 54.91 54.49 1w29 h ALA 66 Cb 1.38 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.98 1w29 h ALA 66 CO 0.13 0.67 0.62 0.37 0.00 0.00 0.00 179.25 181.05 1w29 h GLN 67 N 0.74 1.10 -0.25 0.00 4.15 -0.70 -0.16 115.11 119.99 1w29 h GLN 67 Ca 0.07 -0.07 -0.19 0.00 0.77 0.00 0.00 58.65 59.23 1w29 h GLN 67 Cb 0.94 -0.25 0.00 0.00 0.21 0.00 0.00 27.48 28.38 1w29 h GLN 67 CO 0.09 0.73 -0.60 1.49 -1.93 0.00 0.00 178.83 178.61 1w29 h GLU 68 N 1.14 0.85 -0.09 1.69 4.57 -1.24 -3.15 114.58 118.34 1w29 h GLU 68 Ca 0.42 -0.58 -0.08 0.00 -1.18 0.00 0.00 59.36 57.94 1w29 h GLU 68 Cb 0.16 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.83 1w29 h GLU 68 CO -0.17 1.21 -0.29 -0.07 -1.18 0.00 0.00 179.01 178.50 1w29 h LEU 69 N 0.62 0.16 -1.38 1.64 3.38 -0.51 -2.68 115.31 116.55 1w29 h LEU 69 Ca -0.00 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 1w29 h LEU 69 Cb 1.22 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 1w29 h LEU 69 CO 0.13 0.46 -0.31 0.00 0.09 0.00 0.00 178.44 178.81 1w29 h ALA 70 N 1.56 1.34 -1.01 1.53 0.00 -1.03 -2.21 119.26 119.43 1w29 h ALA 70 Ca 0.02 -0.28 0.24 0.00 0.00 0.00 0.00 54.91 54.89 1w29 h ALA 70 Cb 0.60 -0.05 -0.11 0.00 0.00 0.00 0.00 17.79 18.23 1w29 h ALA 70 CO 0.04 0.38 0.62 0.00 0.00 0.00 0.00 179.25 180.30 1w29 h ARG 71 N 0.00 0.53 -0.05 0.00 3.08 -1.43 -3.29 114.38 113.22 1w29 h ARG 71 Ca -0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1w29 h ARG 71 Cb 0.60 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.52 1w29 h ARG 71 CO 0.04 0.35 0.00 -1.71 -1.07 0.00 0.00 179.97 177.58 1w29 n ASN 72 N -4.77 1.72 -4.12 7.04 4.05 -0.86 -5.03 115.26 113.29 1w29 n ASN 72 Ca 0.26 -1.49 -0.11 0.00 0.45 0.00 0.00 54.58 53.68 1w29 n ASN 72 Cb 0.76 -0.03 -0.11 0.00 1.23 0.00 0.00 39.78 41.63 1w29 n ASN 72 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 177.26 173.21 1w29 s HIS 73 N -0.59 0.78 -0.10 1.20 3.76 -1.03 -4.99 115.29 114.31 1w29 s HIS 73 Ca 0.06 -0.75 0.15 0.00 -0.15 0.00 0.00 55.06 54.37 1w29 s HIS 73 Cb 0.04 -0.46 -0.06 0.00 1.11 0.00 0.00 32.58 33.21 1w29 s HIS 73 CO 0.05 -0.13 1.15 -0.44 -0.85 0.00 0.00 174.74 174.52 1w29 h ASP 74 N 3.62 0.00 -5.05 1.40 3.32 -1.45 -3.44 116.42 114.82 1w29 h ASP 74 Ca -0.35 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.56 1w29 h ASP 74 Cb 1.18 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.54 1w29 h ASP 74 CO 0.55 0.62 -0.53 0.00 -1.72 0.00 0.00 179.24 178.16 1w29 s ALA 75 N -2.90 -0.12 -0.00 3.45 0.00 -1.13 -4.13 121.76 116.94 1w29 s ALA 75 Ca 0.01 -0.45 0.02 0.00 0.00 0.00 0.00 51.96 51.53 1w29 s ALA 75 Cb 0.08 0.21 -0.00 0.00 0.00 0.00 0.00 23.12 23.41 1w29 s ALA 75 CO 0.78 -0.28 -0.06 0.08 0.00 0.00 0.00 175.76 176.29 1w29 s VAL 76 N -2.24 0.43 -0.18 0.00 1.01 -0.87 -1.93 120.40 116.63 1w29 s VAL 76 Ca -0.08 -0.25 -0.01 0.00 0.00 0.00 0.00 61.98 61.64 1w29 s VAL 76 Cb -0.03 -0.37 -0.00 0.00 0.00 0.00 0.00 36.38 35.97 1w29 s VAL 76 CO -0.03 0.11 -0.12 -0.69 0.00 0.00 0.00 175.10 174.38 1w29 s VAL 77 N -0.15 2.91 -0.32 2.92 1.01 0.16 -1.08 120.40 125.85 1w29 s VAL 77 Ca 0.02 -0.67 -0.12 0.00 0.00 0.00 0.00 61.98 61.21 1w29 s VAL 77 Cb -0.02 -2.27 -0.02 0.00 0.00 0.00 0.00 36.38 34.07 1w29 s VAL 77 CO -0.00 0.49 0.21 0.00 0.00 0.00 0.00 175.10 175.79 1w29 s ALA 78 N 1.02 3.44 0.04 5.51 0.00 0.08 -0.57 121.76 131.28 1w29 s ALA 78 Ca -0.01 -1.34 0.05 0.00 0.00 0.00 0.00 51.96 50.67 1w29 s ALA 78 Cb -0.15 -2.55 -0.04 0.00 0.00 0.00 0.00 23.12 20.39 1w29 s ALA 78 CO -0.02 -0.88 -0.11 -0.51 0.00 0.00 0.00 175.76 174.24 1w29 s LEU 79 N 1.70 2.97 0.00 0.00 1.43 0.07 -0.33 118.68 124.52 1w29 s LEU 79 Ca 0.06 -0.30 0.00 0.00 -1.03 0.00 0.00 54.13 52.86 1w29 s LEU 79 Cb -0.17 -1.74 0.00 0.00 0.03 0.00 0.00 46.19 44.31 1w29 s LEU 79 CO 0.09 0.24 0.00 0.61 0.23 0.00 0.00 176.35 177.53 1w29 n GLY 80 N 1.30 -2.29 2.85 -3.19 0.00 -1.18 -1.02 105.19 101.66 1w29 n GLY 80 Ca -0.15 -1.22 -0.13 0.00 0.00 0.00 0.00 46.02 44.52 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 -2.12 -0.48 -0.17 1.61 1.01 -1.26 -0.76 120.40 118.23 1w29 s VAL 81 Ca 0.00 -0.08 -0.04 0.00 0.00 0.00 0.00 61.98 61.86 1w29 s VAL 81 Cb 0.00 -0.74 -0.03 0.00 0.00 0.00 0.00 36.38 35.61 1w29 s VAL 81 CO 0.00 -0.15 -0.02 -0.69 0.00 0.00 0.00 175.10 174.24 1w29 s VAL 82 N 2.45 3.94 -0.04 2.92 1.01 0.17 -4.80 120.40 126.04 1w29 s VAL 82 Ca 0.10 -0.33 0.05 0.00 0.00 0.00 0.00 61.98 61.80 1w29 s VAL 82 Cb -0.15 -2.75 -0.01 0.00 0.00 0.00 0.00 36.38 33.47 1w29 s VAL 82 CO -0.14 0.47 -0.21 -0.63 0.00 0.00 0.00 175.10 174.59 1w29 s ILE 83 N 0.59 1.71 0.22 2.22 1.01 -1.26 -1.92 121.20 123.77 1w29 s ILE 83 Ca -0.02 -0.89 -0.30 0.00 0.00 0.00 0.00 60.65 59.44 1w29 s ILE 83 Cb -0.14 -1.45 -0.10 0.00 0.01 0.00 0.00 42.46 40.78 1w29 s ILE 83 CO 0.02 0.48 1.45 -0.60 0.00 0.00 0.00 174.94 176.30 1w29 s ARG 84 N -0.14 4.27 0.00 2.79 3.52 -0.94 -4.95 118.95 123.49 1w29 s ARG 84 Ca -0.01 2.28 0.00 0.00 -0.13 0.00 0.00 55.73 57.87 1w29 s ARG 84 Cb -0.12 -3.13 0.00 0.00 -1.56 0.00 0.00 34.95 30.14 1w29 s ARG 84 CO 0.02 -0.44 0.00 0.41 -0.81 0.00 0.00 175.30 174.48 1w29 n GLY 85 N 2.54 3.60 0.03 8.12 0.00 -1.26 -4.83 105.19 113.40 1w29 n GLY 85 Ca 0.08 -1.69 0.11 0.00 0.00 0.00 0.00 46.02 44.52 1w29 n GLY 85 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1w29 n GLN 86 N 0.00 0.46 -3.39 1.61 6.02 -1.26 -4.97 117.38 115.85 1w29 n GLN 86 Ca 0.00 -0.07 -0.21 0.00 -0.01 0.00 0.00 57.00 56.71 1w29 n GLN 86 Cb 0.00 -1.58 0.01 0.00 1.02 0.00 0.00 30.24 29.68 1w29 n GLN 86 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1w29 s THR 87 N -3.34 2.39 -2.00 5.09 -4.23 -1.26 -5.04 115.64 107.26 1w29 s THR 87 Ca -0.01 -1.22 0.19 0.00 -1.18 0.00 0.00 61.69 59.47 1w29 s THR 87 Cb 0.14 -2.61 0.55 0.00 1.34 0.00 0.00 72.50 71.92 1w29 s THR 87 CO 0.86 0.00 1.55 -2.65 -0.54 0.00 0.00 174.62 173.84 1w29 n PRO 88 N -1.83 0.63 0.09 3.99 -0.02 -1.26 -4.20 135.00 132.40 1w29 n PRO 88 Ca 0.06 0.00 0.04 0.00 -2.02 0.00 0.00 63.50 61.59 1w29 n PRO 88 Cb 0.62 -1.48 0.46 0.00 -0.02 0.00 0.00 33.50 33.08 1w29 n PRO 88 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1w29 h HIS 89 N 0.00 0.34 -0.73 6.00 2.76 -1.98 -1.93 115.15 119.61 1w29 h HIS 89 Ca 0.00 -0.00 0.11 0.00 -2.20 0.00 0.00 60.37 58.27 1w29 h HIS 89 Cb 0.00 -0.11 -0.08 0.00 1.55 0.00 0.00 27.41 28.77 1w29 h HIS 89 CO 0.00 0.27 0.35 0.35 -1.30 0.00 0.00 177.93 177.59 1w29 h PHE 90 N 0.36 0.62 -0.27 5.26 3.57 -1.93 -1.31 116.94 123.23 1w29 h PHE 90 Ca 0.09 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.50 1w29 h PHE 90 Cb 0.06 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.62 1w29 h PHE 90 CO 0.00 0.19 -0.35 -0.44 -2.23 0.00 0.00 178.31 175.48 1w29 h ASP 91 N 0.57 0.62 1.06 0.41 3.32 -1.67 -1.48 116.42 119.25 1w29 h ASP 91 Ca 0.37 -0.26 -0.12 0.00 0.02 0.00 0.00 57.03 57.04 1w29 h ASP 91 Cb 0.44 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 1w29 h ASP 91 CO -0.30 0.92 -0.58 1.88 -1.72 0.00 0.00 179.24 179.43 1w29 h TYR 92 N 0.50 0.00 -0.00 4.55 0.05 -1.48 -1.07 116.97 119.52 1w29 h TYR 92 Ca 0.05 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.83 1w29 h TYR 92 Cb 0.84 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.58 1w29 h TYR 92 CO 0.04 0.58 -0.00 0.28 -1.05 0.00 0.00 178.16 178.01 1w29 h VAL 93 N 0.00 1.33 -0.88 -2.88 2.07 -1.18 -0.98 116.25 113.74 1w29 h VAL 93 Ca -0.01 -0.97 -0.00 0.00 0.82 0.00 0.00 66.70 66.54 1w29 h VAL 93 Cb 1.27 1.98 -0.04 0.00 -1.52 0.00 0.00 31.29 32.98 1w29 h VAL 93 CO 0.08 0.25 0.55 0.00 0.02 0.00 0.00 177.57 178.46 1w29 h ASP 95 N 1.20 -0.29 -0.38 0.00 3.32 -1.05 -1.80 116.42 117.42 1w29 h ASP 95 Ca 0.32 -0.00 0.05 0.00 0.02 0.00 0.00 57.03 57.41 1w29 h ASP 95 Cb -0.08 0.07 -0.04 0.00 0.22 0.00 0.00 39.33 39.50 1w29 h ASP 95 CO -0.06 -0.19 0.12 0.00 -1.72 0.00 0.00 179.24 177.38 1w29 h ALA 96 N 0.39 0.43 -0.09 3.45 0.00 -1.00 -1.30 119.26 121.14 1w29 h ALA 96 Ca -0.03 0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.97 1w29 h ALA 96 Cb 0.28 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1w29 h ALA 96 CO 0.06 -0.28 -0.16 0.28 0.00 0.00 0.00 179.25 179.15 1w29 h VAL 97 N 0.26 0.59 0.28 0.00 2.07 -1.36 -0.18 116.25 117.91 1w29 h VAL 97 Ca 0.18 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.69 1w29 h VAL 97 Cb 0.17 0.59 -0.00 0.00 -1.52 0.00 0.00 31.29 30.53 1w29 h VAL 97 CO -0.20 0.00 -0.15 0.74 0.02 0.00 0.00 177.57 177.98 1w29 h THR 98 N -0.22 0.68 -0.64 2.57 2.02 -0.93 -2.19 112.91 114.19 1w29 h THR 98 Ca 0.08 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.36 1w29 h THR 98 Cb 0.33 0.68 -0.07 0.00 -1.74 0.00 0.00 68.15 67.35 1w29 h THR 98 CO -0.22 0.00 0.27 1.56 0.37 0.00 0.00 175.52 177.51 1w29 h GLN 99 N -0.41 0.46 -0.11 6.66 4.20 -1.19 -2.64 115.11 122.08 1w29 h GLN 99 Ca -0.03 -0.03 -0.11 0.00 0.06 0.00 0.00 58.65 58.54 1w29 h GLN 99 Cb 0.33 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.01 1w29 h GLN 99 CO 0.05 0.31 -0.37 0.78 -0.67 0.00 0.00 178.83 178.92 1w29 h GLY 100 N 0.48 0.50 1.04 3.46 0.00 -0.79 -2.65 103.07 105.11 1w29 h GLY 100 Ca 0.32 -0.65 -0.09 0.00 0.00 0.00 0.00 47.33 46.91 1w29 h GLY 100 CO -0.29 0.58 -0.00 1.41 0.00 0.00 0.00 176.54 178.24 1w29 h LEU 101 N 0.03 0.95 -0.09 3.11 3.38 -1.41 -1.32 115.31 119.96 1w29 h LEU 101 Ca -0.01 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.64 1w29 h LEU 101 Cb 1.00 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 1w29 h LEU 101 CO 0.08 1.02 0.04 0.74 0.09 0.00 0.00 178.44 180.41 1w29 h THR 102 N 0.84 1.12 -0.35 0.22 2.02 -1.55 -0.89 112.91 114.32 1w29 h THR 102 Ca 0.15 -0.36 0.06 0.00 0.77 0.00 0.00 66.41 67.03 1w29 h THR 102 Cb 0.54 1.20 -0.05 0.00 -1.74 0.00 0.00 68.15 68.10 1w29 h THR 102 CO 0.03 0.11 0.01 -0.09 0.37 0.00 0.00 175.52 175.95 1w29 h ARG 103 N 0.01 0.11 -0.75 6.66 2.43 -1.38 -2.06 114.38 119.39 1w29 h ARG 103 Ca 0.03 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.17 1w29 h ARG 103 Cb 0.14 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.63 1w29 h ARG 103 CO -0.00 0.07 0.37 0.28 -1.51 0.00 0.00 179.97 179.17 1w29 h VAL 104 N 0.11 1.23 -0.69 0.20 2.07 -1.09 -0.87 116.25 117.22 1w29 h VAL 104 Ca 0.17 -0.65 -0.07 0.00 0.82 0.00 0.00 66.70 66.97 1w29 h VAL 104 Cb 0.23 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 1w29 h VAL 104 CO -0.27 0.28 0.17 0.77 0.02 0.00 0.00 177.57 178.53 1w29 h SER 105 N 1.06 1.04 0.68 0.57 4.64 -0.55 -2.07 113.55 118.92 1w29 h SER 105 Ca 0.26 -0.23 -0.27 0.00 -0.47 0.00 0.00 61.79 61.08 1w29 h SER 105 Cb 0.10 -0.27 -0.00 0.00 -0.31 0.00 0.00 62.40 61.91 1w29 h SER 105 CO -0.03 1.00 -1.22 -0.07 -0.87 0.00 0.00 176.83 175.64 1w29 h LEU 106 N 1.03 0.37 -1.20 5.97 3.38 -0.94 0.03 115.31 123.94 1w29 h LEU 106 Ca 0.22 -0.39 -0.08 0.00 0.09 0.00 0.00 57.88 57.71 1w29 h LEU 106 Cb 0.37 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1w29 h LEU 106 CO 0.00 1.31 -0.29 0.44 0.09 0.00 0.00 178.44 179.99 1w29 h ASP 107 N 0.06 0.18 -0.02 -0.43 3.45 -1.13 -3.10 116.42 115.44 1w29 h ASP 107 Ca -0.12 -0.06 0.00 0.00 0.43 0.00 0.00 57.03 57.28 1w29 h ASP 107 Cb 1.95 -0.05 0.00 0.00 -0.56 0.00 0.00 39.33 40.67 1w29 h ASP 107 CO 0.19 0.47 -0.15 -1.54 -1.57 0.00 0.00 179.24 176.65 1w29 n SER 108 N -4.14 1.99 -3.88 6.45 3.41 -0.78 -4.97 113.62 111.69 1w29 n SER 108 Ca -0.01 -1.49 -0.31 0.00 -0.26 0.00 0.00 58.87 56.80 1w29 n SER 108 Cb 0.38 0.22 -0.03 0.00 -0.26 0.00 0.00 64.21 64.51 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 0.42 -2.89 -4.22 4.04 7.64 -0.07 -4.95 113.62 113.60 1w29 n SER 109 Ca 0.08 -0.74 -0.29 0.00 1.01 0.00 0.00 58.87 58.93 1w29 n SER 109 Cb 0.37 -2.42 -0.16 0.00 -1.01 0.00 0.00 64.21 60.99 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 -3.04 1.80 0.21 0.44 2.01 -0.82 -5.03 115.64 111.21 1w29 s THR 110 Ca 0.60 -0.93 -0.32 0.00 0.31 0.00 0.00 61.69 61.35 1w29 s THR 110 Cb -0.33 -1.52 -0.13 0.00 0.01 0.00 0.00 72.50 70.53 1w29 s THR 110 CO 0.73 0.51 1.61 -2.65 -0.69 0.00 0.00 174.62 174.13 1w29 n PRO 111 N 2.97 2.46 -3.96 4.92 -0.02 -1.26 -4.39 135.00 135.71 1w29 n PRO 111 Ca -0.17 0.88 -0.31 0.00 -2.02 0.00 0.00 63.50 61.88 1w29 n PRO 111 Cb 0.52 -2.67 -0.15 0.00 -0.02 0.00 0.00 33.50 31.18 1w29 n PRO 111 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1w29 s ILE 112 N 0.71 1.74 0.04 4.25 -1.09 -1.26 -2.05 121.20 123.54 1w29 s ILE 112 Ca 0.73 -1.53 -0.30 0.00 -2.23 0.00 0.00 60.65 57.32 1w29 s ILE 112 Cb -0.58 -2.05 -0.04 0.00 -1.58 0.00 0.00 42.46 38.21 1w29 s ILE 112 CO 0.39 -0.23 1.04 0.00 -1.23 0.00 0.00 174.94 174.91 1w29 s ALA 113 N 1.26 3.24 -0.53 9.38 0.00 -0.24 -4.93 121.76 129.95 1w29 s ALA 113 Ca -0.02 0.64 -0.23 0.00 0.00 0.00 0.00 51.96 52.35 1w29 s ALA 113 Cb -0.19 -3.36 0.04 0.00 0.00 0.00 0.00 23.12 19.62 1w29 s ALA 113 CO -0.08 -0.25 0.84 1.21 0.00 0.00 0.00 175.76 177.48 1w29 s ASN 114 N 0.82 6.31 -0.25 0.00 3.04 -1.26 -0.74 114.94 122.85 1w29 s ASN 114 Ca 0.53 -0.49 0.09 0.00 0.04 0.00 0.00 52.86 53.03 1w29 s ASN 114 Cb -0.24 -2.39 0.44 0.00 -1.54 0.00 0.00 41.25 37.52 1w29 s ASN 114 CO 0.29 -1.11 1.25 0.61 -3.04 0.00 0.00 177.10 175.10 1w29 n GLY 115 N 5.12 5.58 3.56 1.21 0.00 0.55 -4.81 105.19 116.40 1w29 n GLY 115 Ca -0.00 -1.79 -0.40 0.00 0.00 0.00 0.00 46.02 43.82 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 -3.74 5.14 0.17 1.61 1.01 -1.20 -3.13 120.40 120.26 1w29 s VAL 116 Ca 0.44 0.26 -0.30 0.00 0.00 0.00 0.00 61.98 62.38 1w29 s VAL 116 Cb 0.39 -3.81 -0.07 0.00 0.00 0.00 0.00 36.38 32.88 1w29 s VAL 116 CO -0.02 -0.04 0.97 -0.76 0.00 0.00 0.00 175.10 175.24 1w29 s LEU 117 N 2.11 4.56 -0.38 3.92 1.43 0.06 -4.92 118.68 125.47 1w29 s LEU 117 Ca 0.14 1.89 0.01 0.00 -1.03 0.00 0.00 54.13 55.15 1w29 s LEU 117 Cb -0.16 -3.60 0.11 0.00 0.03 0.00 0.00 46.19 42.57 1w29 s LEU 117 CO 0.11 0.01 0.15 0.42 0.23 0.00 0.00 176.35 177.28 1w29 s THR 118 N -0.54 1.45 0.48 5.49 -4.23 -1.25 0.42 115.64 117.45 1w29 s THR 118 Ca 0.45 -2.12 0.05 0.00 -1.18 0.00 0.00 61.69 58.88 1w29 s THR 118 Cb -0.25 -2.05 -0.02 0.00 1.34 0.00 0.00 72.50 71.52 1w29 s THR 118 CO 0.31 -0.75 0.17 0.42 -0.54 0.00 0.00 174.62 174.23 1w29 s THR 119 N 0.90 1.76 -0.15 3.99 -4.23 -0.81 -5.01 115.64 112.09 1w29 s THR 119 Ca 0.13 -1.77 -0.02 0.00 -1.18 0.00 0.00 61.69 58.86 1w29 s THR 119 Cb -0.21 -2.53 -0.24 0.00 1.34 0.00 0.00 72.50 70.87 1w29 s THR 119 CO -0.11 0.00 0.23 0.59 -0.54 0.00 0.00 174.62 174.79 1w29 n ASN 120 N -1.35 1.90 -4.46 3.99 3.02 -1.26 -2.22 115.26 114.88 1w29 n ASN 120 Ca -0.07 0.13 -0.23 0.00 -0.03 0.00 0.00 54.58 54.38 1w29 n ASN 120 Cb 0.65 -0.61 -0.10 0.00 -0.61 0.00 0.00 39.78 39.11 1w29 n ASN 120 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1w29 s THR 121 N -2.55 2.10 0.31 3.41 -4.23 -1.26 -3.97 115.64 109.45 1w29 s THR 121 Ca -0.23 -2.25 0.07 0.00 -1.18 0.00 0.00 61.69 58.09 1w29 s THR 121 Cb 0.07 -2.39 0.07 0.00 1.34 0.00 0.00 72.50 71.59 1w29 s THR 121 CO 0.73 -0.35 1.76 -0.08 -0.54 0.00 0.00 174.62 176.14 1w29 h GLU 122 N 2.25 0.27 -0.71 3.99 4.81 -1.95 -2.94 114.58 120.30 1w29 h GLU 122 Ca -0.40 -0.11 -0.05 0.00 -0.13 0.00 0.00 59.36 58.68 1w29 h GLU 122 Cb 1.24 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.58 1w29 h GLU 122 CO 0.65 0.57 0.27 0.93 -0.73 0.00 0.00 179.01 180.70 1w29 h GLU 123 N 0.24 1.07 -0.78 1.92 3.07 -1.98 -0.53 114.58 117.59 1w29 h GLU 123 Ca 0.03 -0.20 -0.03 0.00 -0.50 0.00 0.00 59.36 58.66 1w29 h GLU 123 Cb 0.69 -0.17 -0.04 0.00 -0.84 0.00 0.00 28.75 28.39 1w29 h GLU 123 CO 0.05 0.89 0.36 1.96 -1.40 0.00 0.00 179.01 180.88 1w29 h GLN 124 N 1.02 1.13 -0.17 2.33 4.20 -1.96 -2.20 115.11 119.46 1w29 h GLN 124 Ca 0.23 -0.17 -0.17 0.00 0.06 0.00 0.00 58.65 58.60 1w29 h GLN 124 Cb 0.24 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 27.81 1w29 h GLN 124 CO -0.02 0.88 -0.61 0.00 -0.67 0.00 0.00 178.83 178.41 1w29 h ALA 125 N 1.28 0.61 0.00 3.87 0.00 -1.26 -2.79 119.26 120.97 1w29 h ALA 125 Ca 0.27 -0.54 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1w29 h ALA 125 Cb 0.13 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1w29 h ALA 125 CO -0.03 0.70 -0.07 -0.07 0.00 0.00 0.00 179.25 179.78 1w29 h LEU 126 N 0.44 0.00 0.00 0.00 3.38 -0.88 -2.38 115.31 115.88 1w29 h LEU 126 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1w29 h LEU 126 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1w29 h LEU 126 CO 0.12 0.07 -0.20 -0.67 0.09 0.00 0.00 178.44 177.85 1w29 n ASP 127 N -4.20 0.41 -0.02 -0.43 2.03 -0.85 -3.67 116.55 109.83 1w29 n ASP 127 Ca -0.03 0.31 0.03 0.00 0.52 0.00 0.00 54.79 55.62 1w29 n ASP 127 Cb 0.16 -0.32 0.04 0.00 -0.72 0.00 0.00 41.12 40.27 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 -1.79 2.49 -0.07 -0.67 1.74 -0.91 -1.94 116.66 115.51 1w29 n ARG 128 Ca 0.06 -1.77 0.07 0.00 -0.77 0.00 0.00 57.85 55.44 1w29 n ARG 128 Cb 0.38 -1.12 0.10 0.00 -1.02 0.00 0.00 32.46 30.80 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 -0.74 2.39 -2.13 7.54 0.00 -1.13 -1.38 120.51 125.07 1w29 n ALA 129 Ca 0.04 -0.80 -0.07 0.00 0.00 0.00 0.00 53.44 52.61 1w29 n ALA 129 Cb 0.36 -0.51 -0.00 0.00 0.00 0.00 0.00 19.45 19.30 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 0.80 0.09 3.72 0.00 0.00 0.50 -3.91 105.19 106.39 1w29 n GLY 130 Ca 0.10 -0.60 -0.29 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.95 1.58 0.25 0.99 1.43 -1.26 -4.91 118.68 114.81 1w29 s LEU 131 Ca 0.00 0.79 -0.05 0.00 -1.03 0.00 0.00 54.13 53.84 1w29 s LEU 131 Cb 0.00 -2.84 0.47 0.00 0.03 0.00 0.00 46.19 43.85 1w29 s LEU 131 CO 0.00 -3.23 1.66 -0.65 0.23 0.00 0.00 176.35 174.36 1w29 h PRO 132 N -1.97 0.18 -0.22 1.29 0.11 -1.96 -2.04 132.00 127.40 1w29 h PRO 132 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1w29 h PRO 132 Cb 1.31 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1w29 h PRO 132 CO 0.48 0.12 0.00 0.25 -0.21 0.00 0.00 178.00 178.64 1w29 n THR 133 N -5.24 0.27 -2.15 -1.15 -2.24 -1.26 -5.00 114.28 97.51 1w29 n THR 133 Ca 0.14 -0.63 -0.40 0.00 -2.27 0.00 0.00 64.05 60.89 1w29 n THR 133 Cb 0.48 1.22 -0.02 0.00 -2.10 0.00 0.00 70.33 69.92 1w29 n THR 133 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1w29 s SER 134 N -1.70 6.75 0.39 3.42 0.01 -0.77 -4.95 113.70 116.86 1w29 s SER 134 Ca 0.33 2.63 0.09 0.00 1.31 0.00 0.00 55.95 60.31 1w29 s SER 134 Cb 0.21 -2.64 0.81 0.00 0.21 0.00 0.00 66.02 64.61 1w29 s SER 134 CO 0.30 -0.54 1.95 0.00 0.41 0.00 0.00 173.24 175.36 1w29 h ALA 135 N 3.30 1.56 -2.85 1.44 0.00 -1.72 -3.46 119.26 117.52 1w29 h ALA 135 Ca -0.49 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.14 1w29 h ALA 135 Cb 1.23 -0.10 -0.09 0.00 0.00 0.00 0.00 17.79 18.83 1w29 h ALA 135 CO 0.65 0.32 -0.14 -1.83 0.00 0.00 0.00 179.25 178.25 1w29 s GLU 136 N -4.89 1.66 -0.33 0.00 -1.05 -0.82 -5.04 118.70 108.23 1w29 s GLU 136 Ca -0.06 -1.41 0.00 0.00 -0.15 0.00 0.00 54.97 53.35 1w29 s GLU 136 Cb 0.16 0.46 0.11 0.00 -0.44 0.00 0.00 34.13 34.41 1w29 s GLU 136 CO 0.73 -0.69 0.11 0.34 0.95 0.00 0.00 175.26 176.70 1w29 s ASP 137 N -3.08 4.05 0.36 0.83 -1.08 -1.26 -0.37 116.67 116.12 1w29 s ASP 137 Ca 0.25 -1.83 0.13 0.00 -0.52 0.00 0.00 52.55 50.58 1w29 s ASP 137 Cb -0.00 -0.97 0.69 0.00 -1.46 0.00 0.00 42.92 41.18 1w29 s ASP 137 CO 0.12 -0.39 1.80 0.11 0.52 0.00 0.00 175.17 177.33 1w29 h LYS 138 N 7.85 0.00 -0.13 4.34 1.79 -1.54 -2.14 116.57 126.74 1w29 h LYS 138 Ca -0.11 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.38 1w29 h LYS 138 Cb 1.00 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.64 1w29 h LYS 138 CO 0.48 0.40 0.04 0.78 -1.08 0.00 0.00 179.45 180.06 1w29 h GLY 139 N 1.23 0.15 1.00 3.86 0.00 -1.80 0.25 103.07 107.75 1w29 h GLY 139 Ca -0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.29 1w29 h GLY 139 CO 0.05 0.01 0.33 0.00 0.00 0.00 0.00 176.54 176.94 1w29 h ALA 140 N 1.08 0.82 -0.51 3.60 0.00 -1.70 -2.60 119.26 119.95 1w29 h ALA 140 Ca 0.05 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 1w29 h ALA 140 Cb 0.04 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1w29 h ALA 140 CO -0.06 0.36 -0.07 1.96 0.00 0.00 0.00 179.25 181.44 1w29 h GLN 141 N 0.88 0.92 -0.94 0.00 4.20 -0.96 -2.07 115.11 117.15 1w29 h GLN 141 Ca 0.22 -0.31 -0.01 0.00 0.06 0.00 0.00 58.65 58.62 1w29 h GLN 141 Cb 0.08 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 27.74 1w29 h GLN 141 CO -0.03 0.96 0.54 0.00 -0.67 0.00 0.00 178.83 179.63 1w29 h ALA 142 N 1.08 1.20 -0.02 3.87 0.00 -0.40 -1.38 119.26 123.60 1w29 h ALA 142 Ca 0.14 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1w29 h ALA 142 Cb 0.60 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1w29 h ALA 142 CO 0.04 0.67 -0.03 1.15 0.00 0.00 0.00 179.25 181.07 1w29 h THR 143 N 1.30 1.43 -0.88 0.00 2.02 -1.28 -2.24 112.91 113.25 1w29 h THR 143 Ca 0.33 -1.32 0.18 0.00 0.77 0.00 0.00 66.41 66.37 1w29 h THR 143 Cb -0.03 2.27 -0.17 0.00 -1.74 0.00 0.00 68.15 68.49 1w29 h THR 143 CO -0.06 0.35 -0.22 0.58 0.37 0.00 0.00 175.52 176.54 1w29 h VAL 144 N -0.47 0.12 -0.37 3.16 2.07 -1.33 -0.60 116.25 118.82 1w29 h VAL 144 Ca 0.00 -0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.37 1w29 h VAL 144 Cb 0.59 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 1w29 h VAL 144 CO 0.01 0.00 -0.38 0.00 0.02 0.00 0.00 177.57 177.22 1w29 h ALA 145 N 1.88 0.62 -0.27 1.67 0.00 -1.03 -1.62 119.26 120.51 1w29 h ALA 145 Ca 0.42 -0.45 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1w29 h ALA 145 Cb 0.64 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1w29 h ALA 145 CO -0.91 0.68 -0.05 0.00 0.00 0.00 0.00 179.25 178.97 1w29 h ALA 146 N 0.82 0.37 -0.34 0.00 0.00 -1.21 -1.54 119.26 117.37 1w29 h ALA 146 Ca 0.06 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1w29 h ALA 146 Cb 0.96 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1w29 h ALA 146 CO 0.09 0.17 0.09 -0.07 0.00 0.00 0.00 179.25 179.53 1w29 h LEU 147 N 0.27 0.50 -0.55 0.00 3.38 -1.02 -2.27 115.31 115.63 1w29 h LEU 147 Ca 0.07 -0.22 0.05 0.00 0.09 0.00 0.00 57.88 57.87 1w29 h LEU 147 Cb 0.52 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.09 1w29 h LEU 147 CO 0.02 0.59 0.28 0.00 0.09 0.00 0.00 178.44 179.42 1w29 h ALA 148 N 0.93 0.70 -0.46 1.53 0.00 -1.27 -2.05 119.26 118.65 1w29 h ALA 148 Ca 0.11 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.90 1w29 h ALA 148 Cb 0.27 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1w29 h ALA 148 CO -0.00 -0.06 -0.25 1.15 0.00 0.00 0.00 179.25 180.09 1w29 h THR 149 N 0.54 1.27 -0.34 0.00 2.02 -1.28 -2.02 112.91 113.11 1w29 h THR 149 Ca 0.24 -1.42 -0.00 0.00 0.77 0.00 0.00 66.41 66.00 1w29 h THR 149 Cb 0.15 1.18 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 1w29 h THR 149 CO -0.17 0.48 0.20 0.00 0.37 0.00 0.00 175.52 176.41 1w29 h ALA 150 N 0.88 1.72 -0.06 6.16 0.00 -1.04 -1.62 119.26 125.30 1w29 h ALA 150 Ca 0.10 -0.04 -0.23 0.00 0.00 0.00 0.00 54.91 54.73 1w29 h ALA 150 Cb 0.83 -0.14 0.02 0.00 0.00 0.00 0.00 17.79 18.50 1w29 h ALA 150 CO 0.07 0.25 -0.88 -0.07 0.00 0.00 0.00 179.25 178.63 1w29 h LEU 151 N 0.46 0.87 0.15 0.00 3.38 -1.05 -2.18 115.31 116.95 1w29 h LEU 151 Ca 0.12 -0.70 -0.01 0.00 0.09 0.00 0.00 57.88 57.39 1w29 h LEU 151 Cb -0.01 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.48 1w29 h LEU 151 CO -0.02 1.44 -0.07 0.74 0.09 0.00 0.00 178.44 180.62 1w29 h THR 152 N 0.38 0.93 -1.00 0.22 2.02 -1.08 -2.26 112.91 112.11 1w29 h THR 152 Ca -0.09 -0.36 0.05 0.00 0.77 0.00 0.00 66.41 66.78 1w29 h THR 152 Cb 1.53 1.15 -0.06 0.00 -1.74 0.00 0.00 68.15 69.03 1w29 h THR 152 CO 0.18 0.08 0.65 -0.07 0.37 0.00 0.00 175.52 176.73 1w29 h LEU 153 N -0.38 1.07 -0.52 2.58 3.38 -1.36 0.13 115.31 120.22 1w29 h LEU 153 Ca -0.02 -0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.04 1w29 h LEU 153 Cb 0.30 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 40.74 1w29 h LEU 153 CO 0.03 0.71 0.10 -0.09 0.09 0.00 0.00 178.44 179.29 1w29 h ARG 154 N 1.23 0.22 -0.10 1.13 9.65 -1.16 0.12 114.38 125.48 1w29 h ARG 154 Ca 0.41 -0.01 -0.05 0.00 -1.10 0.00 0.00 59.98 59.23 1w29 h ARG 154 Cb 0.07 -0.05 -0.00 0.00 -1.39 0.00 0.00 29.97 28.60 1w29 h ARG 154 CO -0.15 0.15 -0.13 0.93 2.80 0.00 0.00 179.97 183.57 1w29 h GLU 155 N 0.23 0.26 -0.75 0.20 4.39 -0.75 -3.01 114.58 115.15 1w29 h GLU 155 Ca 0.26 -0.15 0.09 0.00 0.34 0.00 0.00 59.36 59.90 1w29 h GLU 155 Cb 0.36 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 28.97 1w29 h GLU 155 CO -0.35 0.71 0.49 -0.07 -1.16 0.00 0.00 179.01 178.64 1w29 h LEU 156 N -0.16 0.62-10.74 1.33 3.38 -0.82 -3.45 115.31 105.46 1w29 h LEU 156 Ca 0.01 0.01 -0.45 0.00 0.09 0.00 0.00 57.88 57.54 1w29 h LEU 156 Cb 0.67 -0.12 0.13 0.00 0.09 0.00 0.00 40.66 41.43 1w29 h LEU 156 CO 0.03 0.37 0.31 -0.13 0.09 0.00 0.00 178.44 179.11 1w29 s ARG 157 N -5.63 1.24 0.11 1.13 0.52 0.41 -5.00 118.95 111.73 1w29 s ARG 157 Ca -0.09 -0.54 -0.31 0.00 -0.52 0.00 0.00 55.73 54.27 1w29 s ARG 157 Cb 0.20 -2.03 -0.07 0.00 0.52 0.00 0.00 34.95 33.57 1w29 s ARG 157 CO 0.77 -1.93 1.34 0.00 0.02 0.00 0.00 175.30 175.50 1w29 s ALA 158 N -3.58 3.54 0.18 2.13 0.00 -1.26 -4.96 121.76 117.81 1w29 s ALA 158 Ca 0.69 1.06 -0.05 0.00 0.00 0.00 0.00 51.96 53.66 1w29 s ALA 158 Cb -0.06 -3.51 0.02 0.00 0.00 0.00 0.00 23.12 19.57 1w29 s ALA 158 CO 0.49 -0.57 0.33 -2.39 0.00 0.00 0.00 175.76 173.63 1w29 n HIS 159 N 3.86 -1.40 1.05 0.00 1.44 -1.26 -5.08 115.22 113.83 1w29 n HIS 159 Ca 0.11 -0.98 0.08 0.00 -2.01 0.00 0.00 57.72 54.92 1w29 n HIS 159 Cb 0.43 0.38 0.50 0.00 0.12 0.00 0.00 29.99 31.43 1w29 n HIS 159 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96