#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c9d n ALA 15 N 0.00 0.00 0.31 -1.67 0.00 -1.24 -5.02 120.51 112.90 2c9d n ALA 15 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 2c9d n ALA 15 Cb 0.00 0.00 0.55 0.00 0.00 0.00 0.00 19.45 20.00 2c9d n ALA 15 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2c9d h SER 16 N 0.00 0.00 0.00 0.00 4.64 -1.87 -2.94 113.55 113.39 2c9d h SER 16 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2c9d h SER 16 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2c9d h SER 16 CO 0.00 0.00 -1.10 0.61 -0.87 0.00 0.00 176.83 175.47 2c9d n GLY 17 N -0.45 -0.97 3.77 -0.77 0.00 -1.26 -4.91 105.19 100.59 2c9d n GLY 17 Ca 0.01 -0.58 -0.38 0.00 0.00 0.00 0.00 46.02 45.07 2c9d n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2c9d s VAL 18 N -3.04 4.11 -0.43 1.61 0.11 -1.11 -5.03 120.40 116.62 2c9d s VAL 18 Ca 0.06 1.83 -0.15 0.00 -2.93 0.00 0.00 61.98 60.79 2c9d s VAL 18 Cb 0.16 -4.05 0.04 0.00 -1.53 0.00 0.00 36.38 31.00 2c9d s VAL 18 CO 0.86 0.22 0.33 -0.13 -3.33 0.00 0.00 175.10 173.05 2c9d s ARG 19 N -1.88 2.94 -0.06 1.54 0.52 -1.26 -5.00 118.95 115.75 2c9d s ARG 19 Ca 0.49 -1.17 -0.04 0.00 -0.52 0.00 0.00 55.73 54.48 2c9d s ARG 19 Cb -0.21 -4.01 -0.04 0.00 0.52 0.00 0.00 34.95 31.21 2c9d s ARG 19 CO 0.27 -0.86 0.13 -1.17 0.02 0.00 0.00 175.30 173.68 2c9d s LEU 20 N 1.64 4.23 0.03 2.53 2.96 -1.26 -0.87 118.68 127.95 2c9d s LEU 20 Ca 0.04 0.35 0.05 0.00 -0.22 0.00 0.00 54.13 54.35 2c9d s LEU 20 Cb -0.21 -2.26 -0.02 0.00 0.50 0.00 0.00 46.19 44.20 2c9d s LEU 20 CO 0.08 0.34 -0.13 0.00 -1.32 0.00 0.00 176.35 175.31 2c9d s ALA 21 N -1.14 1.10 -0.08 5.97 0.00 -0.66 -2.33 121.76 124.62 2c9d s ALA 21 Ca 0.20 -0.78 0.01 0.00 0.00 0.00 0.00 51.96 51.39 2c9d s ALA 21 Cb -0.12 -0.18 0.02 0.00 0.00 0.00 0.00 23.12 22.84 2c9d s ALA 21 CO 0.10 0.21 -0.09 0.42 0.00 0.00 0.00 175.76 176.40 2c9d s ILE 22 N -0.80 0.99 -0.16 0.00 1.01 0.19 -1.17 121.20 121.25 2c9d s ILE 22 Ca 0.01 -0.33 0.01 0.00 0.00 0.00 0.00 60.65 60.34 2c9d s ILE 22 Cb -0.07 -0.97 0.01 0.00 0.01 0.00 0.00 42.46 41.44 2c9d s ILE 22 CO 0.01 0.34 -0.20 0.54 0.00 0.00 0.00 174.94 175.64 2c9d s VAL 23 N 1.20 2.18 -0.02 2.92 0.11 -0.37 -0.82 120.40 125.60 2c9d s VAL 23 Ca -0.05 -0.92 0.02 0.00 -2.93 0.00 0.00 61.98 58.10 2c9d s VAL 23 Cb -0.14 -1.90 0.00 0.00 -1.53 0.00 0.00 36.38 32.81 2c9d s VAL 23 CO -0.02 0.54 -0.07 0.00 -3.33 0.00 0.00 175.10 172.21 2c9d s ALA 24 N 1.05 0.74 0.61 1.54 0.00 -0.77 -1.28 121.76 123.65 2c9d s ALA 24 Ca -0.01 -0.26 -0.11 0.00 0.00 0.00 0.00 51.96 51.58 2c9d s ALA 24 Cb -0.14 -0.29 -0.04 0.00 0.00 0.00 0.00 23.12 22.65 2c9d s ALA 24 CO -0.07 0.11 1.01 -1.54 0.00 0.00 0.00 175.76 175.28 2c9d s SER 25 N 0.23 6.22 -0.04 0.00 1.04 -0.67 -2.00 113.70 118.47 2c9d s SER 25 Ca -0.03 1.37 0.14 0.00 0.48 0.00 0.00 55.95 57.91 2c9d s SER 25 Cb -0.08 -2.44 -0.21 0.00 0.10 0.00 0.00 66.02 63.39 2c9d s SER 25 CO 0.00 -0.86 0.25 -1.20 0.98 0.00 0.00 173.24 172.41 2c9d n SER 26 N -2.72 1.79 -4.60 7.02 7.64 -0.60 -4.82 113.62 117.34 2c9d n SER 26 Ca 0.06 0.00 -0.53 0.00 1.01 0.00 0.00 58.87 59.40 2c9d n SER 26 Cb 0.54 1.45 -0.06 0.00 -1.01 0.00 0.00 64.21 65.13 2c9d n SER 26 CO 0.00 0.00 0.00 1.87 -3.01 0.00 0.00 175.04 173.90 2c9d n TRP 27 N -2.10 1.52 -2.98 1.43 -0.00 -1.23 -2.11 117.44 111.96 2c9d n TRP 27 Ca -0.07 0.66 -0.14 0.00 -0.00 0.00 0.00 57.50 57.95 2c9d n TRP 27 Cb 0.49 -2.33 0.02 0.00 -0.00 0.00 0.00 31.31 29.49 2c9d n TRP 27 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 177.69 178.41 2c9d n HIS 28 N 2.81 -3.32 -0.16 5.87 8.25 -1.26 -4.66 115.22 122.75 2c9d n HIS 28 Ca 0.20 1.35 -0.10 0.00 -0.26 0.00 0.00 57.72 58.91 2c9d n HIS 28 Cb 0.17 -3.59 -0.00 0.00 1.12 0.00 0.00 29.99 27.69 2c9d n HIS 28 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 2c9d h GLY 29 N 2.07 0.92 0.63 -1.41 0.00 -1.79 -3.04 103.07 100.45 2c9d h GLY 29 Ca -0.12 -0.69 0.02 0.00 0.00 0.00 0.00 47.33 46.55 2c9d h GLY 29 CO 0.20 0.64 -0.14 1.70 0.00 0.00 0.00 176.54 178.94 2c9d h LYS 30 N 0.70 -0.21 -0.70 4.80 3.64 -1.93 -1.93 116.57 120.94 2c9d h LYS 30 Ca 0.13 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.47 2c9d h LYS 30 Cb 0.54 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.38 2c9d h LYS 30 CO 0.03 -0.14 0.21 0.82 -2.27 0.00 0.00 179.45 178.10 2c9d h ILE 31 N -0.22 1.26 -0.58 2.00 2.04 -1.94 -2.64 117.51 117.42 2c9d h ILE 31 Ca 0.05 -0.89 0.06 0.00 1.00 0.00 0.00 64.86 65.08 2c9d h ILE 31 Cb 0.29 0.49 -0.05 0.00 -0.74 0.00 0.00 36.82 36.81 2c9d h ILE 31 CO -0.15 0.35 0.29 0.00 0.00 0.00 0.00 178.15 178.64 2c9d h ASP 33 N 0.54 0.69 0.45 0.00 3.45 -1.00 0.14 116.42 120.69 2c9d h ASP 33 Ca 0.27 0.03 -0.02 0.00 0.43 0.00 0.00 57.03 57.73 2c9d h ASP 33 Cb 0.21 -0.11 0.00 0.00 -0.56 0.00 0.00 39.33 38.87 2c9d h ASP 33 CO -0.20 0.43 -0.22 0.00 -1.57 0.00 0.00 179.24 177.68 2c9d h ALA 34 N 1.40 -0.61 -0.54 3.45 0.00 -1.14 0.55 119.26 122.37 2c9d h ALA 34 Ca 0.35 -0.16 0.10 0.00 0.00 0.00 0.00 54.91 55.20 2c9d h ALA 34 Cb 0.23 0.24 -0.08 0.00 0.00 0.00 0.00 17.79 18.17 2c9d h ALA 34 CO -0.20 -0.79 0.07 -0.07 0.00 0.00 0.00 179.25 178.26 2c9d h LEU 35 N -0.71 -0.09 -1.11 0.00 3.38 -0.93 -0.98 115.31 114.87 2c9d h LEU 35 Ca -0.06 0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 2c9d h LEU 35 Cb 0.52 0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 2c9d h LEU 35 CO 0.10 -0.02 0.20 0.25 0.09 0.00 0.00 178.44 179.06 2c9d h LEU 36 N 0.19 0.76 -0.63 1.67 5.85 -0.65 -2.83 115.31 119.68 2c9d h LEU 36 Ca 0.27 -0.11 -0.08 0.00 0.84 0.00 0.00 57.88 58.80 2c9d h LEU 36 Cb 0.40 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 2c9d h LEU 36 CO -0.39 0.70 0.06 -0.78 -0.34 0.00 0.00 178.44 177.70 2c9d h ASP 37 N 0.81 1.03 -0.45 1.25 -0.00 0.37 -2.67 116.42 116.76 2c9d h ASP 37 Ca 0.19 -0.28 -0.02 0.00 -0.00 0.00 0.00 57.03 56.92 2c9d h ASP 37 Cb 0.20 -0.27 -0.02 0.00 -0.00 0.00 0.00 39.33 39.24 2c9d h ASP 37 CO -0.01 1.05 0.19 1.23 -0.00 0.00 0.00 179.24 181.69 2c9d h GLY 38 N 0.97 0.72 0.86 -0.78 0.00 -1.11 -2.77 103.07 100.96 2c9d h GLY 38 Ca 0.19 -0.39 0.02 0.00 0.00 0.00 0.00 47.33 47.15 2c9d h GLY 38 CO 0.02 0.36 0.07 0.00 0.00 0.00 0.00 176.54 177.00 2c9d h ALA 39 N 1.03 0.22 -0.51 3.60 0.00 -1.40 -2.62 119.26 119.59 2c9d h ALA 39 Ca 0.15 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 2c9d h ALA 39 Cb 0.18 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2c9d h ALA 39 CO -0.01 -0.35 0.07 0.00 0.00 0.00 0.00 179.25 178.96 2c9d h ARG 40 N 0.17 0.80 0.36 0.00 3.08 -1.47 -1.09 114.38 116.24 2c9d h ARG 40 Ca 0.08 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 2c9d h ARG 40 Cb 0.05 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 2c9d h ARG 40 CO -0.08 0.76 -0.24 0.87 -1.07 0.00 0.00 179.97 180.21 2c9d h LYS 41 N 0.76 -0.57 -0.78 0.04 6.56 -1.33 -0.16 116.57 121.09 2c9d h LYS 41 Ca 0.16 0.04 0.07 0.00 -1.06 0.00 0.00 60.65 59.86 2c9d h LYS 41 Cb 0.36 0.13 -0.06 0.00 -0.57 0.00 0.00 32.23 32.09 2c9d h LYS 41 CO 0.01 -0.38 0.46 0.28 -2.06 0.00 0.00 179.45 177.75 2c9d h VAL 42 N -0.59 0.97 -0.20 0.50 2.07 -1.34 -0.67 116.25 116.99 2c9d h VAL 42 Ca -0.04 -0.28 0.03 0.00 0.82 0.00 0.00 66.70 67.24 2c9d h VAL 42 Cb 0.50 0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.33 2c9d h VAL 42 CO 0.02 0.15 0.02 0.00 0.02 0.00 0.00 177.57 177.78 2c9d h ALA 43 N 1.41 0.19 -0.62 1.67 0.00 -0.93 -2.10 119.26 118.87 2c9d h ALA 43 Ca 0.36 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.22 2c9d h ALA 43 Cb 0.25 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2c9d h ALA 43 CO -0.20 -0.42 0.03 0.00 0.00 0.00 0.00 179.25 178.66 2c9d h ALA 44 N 1.16 0.87 -0.92 0.00 0.00 -0.54 -1.22 119.26 118.61 2c9d h ALA 44 Ca 0.09 -0.30 0.04 0.00 0.00 0.00 0.00 54.91 54.74 2c9d h ALA 44 Cb 0.10 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.61 2c9d h ALA 44 CO -0.14 0.67 0.60 0.78 0.00 0.00 0.00 179.25 181.16 2c9d h GLY 45 N 1.01 1.34 -0.89 0.00 0.00 -0.94 -2.22 103.07 101.36 2c9d h GLY 45 Ca 0.18 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 47.06 2c9d h GLY 45 CO 0.03 0.37 0.00 0.00 0.00 0.00 0.00 176.54 176.94 2c9d n GLY 47 N 0.90 0.77 3.28 0.00 0.00 -0.84 -3.59 105.19 105.72 2c9d n GLY 47 Ca 0.09 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.67 2c9d n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2c9d s LEU 48 N 0.00 5.86 0.23 0.99 1.43 -0.48 -4.78 118.68 121.92 2c9d s LEU 48 Ca 0.00 -1.75 0.12 0.00 -1.03 0.00 0.00 54.13 51.47 2c9d s LEU 48 Cb 0.00 -2.12 -0.00 0.00 0.03 0.00 0.00 46.19 44.10 2c9d s LEU 48 CO 0.00 -0.75 1.40 0.44 0.23 0.00 0.00 176.35 177.67 2c9d h ASP 49 N 8.68 0.00 -2.29 2.29 3.45 -1.87 -3.09 116.42 123.59 2c9d h ASP 49 Ca -0.26 0.00 -0.53 0.00 0.43 0.00 0.00 57.03 56.67 2c9d h ASP 49 Cb 1.09 0.00 -0.36 0.00 -0.56 0.00 0.00 39.33 39.50 2c9d h ASP 49 CO 0.93 0.68 -0.87 -1.81 -1.57 0.00 0.00 179.24 176.60 2c9d s ASP 50 N -6.56 1.65 0.63 6.45 -0.00 -1.26 -4.93 116.67 112.66 2c9d s ASP 50 Ca 0.03 -2.54 -0.11 0.00 -0.00 0.00 0.00 52.55 49.93 2c9d s ASP 50 Cb 0.09 -0.15 -0.03 0.00 -0.00 0.00 0.00 42.92 42.83 2c9d s ASP 50 CO 0.77 -0.22 1.04 -2.16 -0.00 0.00 0.00 175.17 174.60 2c9d s PRO 51 N 0.59 3.46 -0.23 8.23 0.04 -1.26 -5.00 135.00 140.81 2c9d s PRO 51 Ca 0.26 0.81 -0.29 0.00 0.04 0.00 0.00 61.00 61.82 2c9d s PRO 51 Cb -0.07 -2.06 -0.00 0.00 0.04 0.00 0.00 34.50 32.41 2c9d s PRO 51 CO -0.10 -0.68 1.25 0.99 0.04 0.00 0.00 177.00 178.50 2c9d s THR 52 N -3.12 4.26 -0.15 1.26 2.01 -0.98 -4.94 115.64 113.98 2c9d s THR 52 Ca 0.56 1.49 -0.01 0.00 0.31 0.00 0.00 61.69 64.04 2c9d s THR 52 Cb -0.12 -4.10 -0.01 0.00 0.01 0.00 0.00 72.50 68.28 2c9d s THR 52 CO 0.53 -0.29 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.37 2c9d s VAL 53 N 3.85 3.12 -0.03 3.82 1.01 -1.26 0.54 120.40 131.44 2c9d s VAL 53 Ca 0.54 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.92 2c9d s VAL 53 Cb -0.19 -2.33 0.01 0.00 0.00 0.00 0.00 36.38 33.87 2c9d s VAL 53 CO 0.17 0.51 -0.09 -0.69 0.00 0.00 0.00 175.10 175.00 2c9d s VAL 54 N 0.55 0.78 -0.05 2.92 1.01 0.00 -4.99 120.40 120.63 2c9d s VAL 54 Ca -0.07 -0.34 -0.02 0.00 0.00 0.00 0.00 61.98 61.54 2c9d s VAL 54 Cb -0.15 -0.71 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 2c9d s VAL 54 CO 0.03 0.25 0.08 -0.13 0.00 0.00 0.00 175.10 175.34 2c9d s ARG 55 N 0.29 3.16 0.29 2.72 1.81 -1.26 -1.85 118.95 124.11 2c9d s ARG 55 Ca -0.05 -0.38 0.05 0.00 -1.72 0.00 0.00 55.73 53.63 2c9d s ARG 55 Cb -0.10 -2.93 -0.06 0.00 -0.45 0.00 0.00 34.95 31.41 2c9d s ARG 55 CO 0.01 0.69 0.00 0.14 -0.68 0.00 0.00 175.30 175.46 2c9d s VAL 56 N -1.10 1.37 0.01 3.52 -7.23 -0.85 -4.95 120.40 111.17 2c9d s VAL 56 Ca 0.19 -2.05 0.04 0.00 -1.81 0.00 0.00 61.98 58.35 2c9d s VAL 56 Cb -0.12 -2.59 -0.24 0.00 0.56 0.00 0.00 36.38 33.99 2c9d s VAL 56 CO 0.09 -0.17 0.89 -0.07 -0.31 0.00 0.00 175.10 175.53 2c9d h LEU 57 N 2.23 0.17 -8.33 1.32 4.07 -1.95 -1.58 115.31 111.23 2c9d h LEU 57 Ca -0.40 -0.25 -0.16 0.00 0.08 0.00 0.00 57.88 57.15 2c9d h LEU 57 Cb 1.24 -0.05 -0.15 0.00 1.08 0.00 0.00 40.66 42.78 2c9d h LEU 57 CO 0.68 1.21 -0.59 -0.83 -1.08 0.00 0.00 178.44 177.83 2c9d s GLY 58 N -4.97 0.82 0.30 0.83 0.00 -1.26 -3.47 107.32 99.58 2c9d s GLY 58 Ca -0.06 -1.33 0.01 0.00 0.00 0.00 0.00 44.72 43.34 2c9d s GLY 58 CO 0.83 -1.26 1.84 0.00 0.00 0.00 0.00 173.10 174.52 2c9d h ALA 59 N 2.85 1.27 -0.07 3.20 0.00 -1.93 -2.65 119.26 121.91 2c9d h ALA 59 Ca -0.34 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.39 2c9d h ALA 59 Cb 1.20 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 2c9d h ALA 59 CO 0.58 0.51 0.06 0.82 0.00 0.00 0.00 179.25 181.21 2c9d h ILE 60 N 0.71 0.89 -0.00 0.00 2.04 -1.97 -1.74 117.51 117.43 2c9d h ILE 60 Ca 0.16 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.02 2c9d h ILE 60 Cb 0.30 0.96 0.00 0.00 -0.74 0.00 0.00 36.82 37.34 2c9d h ILE 60 CO 0.00 0.00 -0.05 -0.62 0.00 0.00 0.00 178.15 177.48 2c9d n GLU 61 N -4.41 0.62 0.08 2.37 4.71 -1.00 -4.25 120.64 118.76 2c9d n GLU 61 Ca -0.01 -0.11 -0.13 0.00 -0.01 0.00 0.00 57.16 56.90 2c9d n GLU 61 Cb 0.16 -1.50 -0.08 0.00 -1.01 0.00 0.00 31.44 29.01 2c9d n GLU 61 CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 2c9d h ILE 62 N 0.27 0.98 -0.61 -3.67 2.04 -1.39 -3.29 117.51 111.84 2c9d h ILE 62 Ca 0.00 -0.69 0.12 0.00 1.00 0.00 0.00 64.86 65.29 2c9d h ILE 62 Cb 0.29 1.40 -0.09 0.00 -0.74 0.00 0.00 36.82 37.67 2c9d h ILE 62 CO 0.00 0.16 0.11 -0.65 0.00 0.00 0.00 178.15 177.77 2c9d h PRO 63 N -0.54 0.23 0.00 2.37 0.11 -1.77 -1.60 132.00 130.79 2c9d h PRO 63 Ca -0.02 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.04 2c9d h PRO 63 Cb 0.42 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.47 2c9d h PRO 63 CO 0.03 0.15 -0.17 -0.24 -0.21 0.00 0.00 178.00 177.56 2c9d h VAL 64 N 0.23 1.07 0.00 3.15 3.04 -1.84 -2.06 116.25 119.84 2c9d h VAL 64 Ca 0.32 -0.60 -0.20 0.00 -1.01 0.00 0.00 66.70 65.22 2c9d h VAL 64 Cb 0.50 1.33 -0.03 0.00 -2.01 0.00 0.00 31.29 31.08 2c9d h VAL 64 CO -0.43 0.17 -1.17 0.58 -1.01 0.00 0.00 177.57 175.71 2c9d h VAL 65 N 0.00 1.00 -0.11 1.51 2.07 -1.42 -3.26 116.25 116.04 2c9d h VAL 65 Ca -0.00 -2.61 -0.14 0.00 0.82 0.00 0.00 66.70 64.77 2c9d h VAL 65 Cb 0.32 2.44 -0.01 0.00 -1.52 0.00 0.00 31.29 32.51 2c9d h VAL 65 CO 0.02 0.57 -0.55 0.00 0.02 0.00 0.00 177.57 177.64 2c9d h ALA 66 N 1.22 0.86 -0.43 1.67 0.00 -0.91 -2.19 119.26 119.47 2c9d h ALA 66 Ca -0.11 -0.51 0.01 0.00 0.00 0.00 0.00 54.91 54.30 2c9d h ALA 66 Cb 1.70 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.38 2c9d h ALA 66 CO 0.08 0.69 0.28 0.37 0.00 0.00 0.00 179.25 180.67 2c9d h GLN 67 N 0.25 0.54 -0.46 0.00 4.15 -1.46 -0.31 115.11 117.83 2c9d h GLN 67 Ca 0.00 -0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.35 2c9d h GLN 67 Cb 1.04 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 28.59 2c9d h GLN 67 CO 0.09 0.36 0.12 1.49 -1.93 0.00 0.00 178.83 178.96 2c9d h GLU 68 N 0.56 0.72 0.00 1.69 4.57 -1.58 -2.96 114.58 117.59 2c9d h GLU 68 Ca 0.16 -0.17 -0.05 0.00 -1.18 0.00 0.00 59.36 58.12 2c9d h GLU 68 Cb -0.04 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.44 2c9d h GLU 68 CO -0.05 0.71 -0.24 -0.07 -1.18 0.00 0.00 179.01 178.17 2c9d h LEU 69 N 0.60 0.00 -1.33 1.64 3.38 -1.17 -2.95 115.31 115.49 2c9d h LEU 69 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2c9d h LEU 69 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2c9d h LEU 69 CO -0.00 0.24 0.00 0.00 0.09 0.00 0.00 178.44 178.77 2c9d h ALA 70 N 1.76 1.00 0.00 1.53 0.00 -0.87 -2.95 119.26 119.73 2c9d h ALA 70 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2c9d h ALA 70 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2c9d h ALA 70 CO 0.03 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.82 2c9d n ARG 71 N -2.82 0.23 -0.24 0.00 1.74 -1.11 -3.94 116.66 110.52 2c9d n ARG 71 Ca 0.01 0.10 0.00 0.00 -0.77 0.00 0.00 57.85 57.19 2c9d n ARG 71 Cb 0.26 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.20 2c9d n ARG 71 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2c9d n ASN 72 N -1.34 0.00 -4.05 0.55 4.05 -1.12 -5.12 115.26 108.23 2c9d n ASN 72 Ca 0.09 -1.28 -0.08 0.00 0.45 0.00 0.00 54.58 53.76 2c9d n ASN 72 Cb 0.19 -0.06 -0.10 0.00 1.23 0.00 0.00 39.78 41.04 2c9d n ASN 72 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 177.26 173.21 2c9d s HIS 73 N 0.00 0.44 -0.46 1.20 3.76 -1.17 -5.01 115.29 114.05 2c9d s HIS 73 Ca 0.00 -0.91 0.23 0.00 -0.15 0.00 0.00 55.06 54.23 2c9d s HIS 73 Cb 0.00 -0.33 0.17 0.00 1.11 0.00 0.00 32.58 33.53 2c9d s HIS 73 CO 0.00 -0.33 1.18 -0.44 -0.85 0.00 0.00 174.74 174.30 2c9d h ASP 74 N 3.54 0.00 -3.89 1.40 3.32 -1.35 -3.46 116.42 115.98 2c9d h ASP 74 Ca -0.33 -0.13 -0.06 0.00 0.02 0.00 0.00 57.03 56.53 2c9d h ASP 74 Cb 1.16 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.49 2c9d h ASP 74 CO 0.59 0.07 0.03 0.00 -1.72 0.00 0.00 179.24 178.21 2c9d s ALA 75 N -3.25 -1.60 -0.07 3.45 0.00 -1.14 -4.39 121.76 114.76 2c9d s ALA 75 Ca 0.03 1.85 0.04 0.00 0.00 0.00 0.00 51.96 53.88 2c9d s ALA 75 Cb 0.12 -1.08 -0.00 0.00 0.00 0.00 0.00 23.12 22.16 2c9d s ALA 75 CO 0.76 -0.31 -0.19 0.08 0.00 0.00 0.00 175.76 176.10 2c9d s VAL 76 N 0.45 1.64 -0.18 0.00 1.01 -0.80 -1.66 120.40 120.87 2c9d s VAL 76 Ca -0.01 -0.81 -0.02 0.00 0.00 0.00 0.00 61.98 61.14 2c9d s VAL 76 Cb -0.05 -1.42 -0.01 0.00 0.00 0.00 0.00 36.38 34.90 2c9d s VAL 76 CO -0.01 0.47 -0.09 -0.69 0.00 0.00 0.00 175.10 174.78 2c9d s VAL 77 N 0.22 3.16 -0.20 2.92 1.01 -0.32 -0.52 120.40 126.68 2c9d s VAL 77 Ca -0.10 -0.59 -0.08 0.00 0.00 0.00 0.00 61.98 61.21 2c9d s VAL 77 Cb -0.15 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 2c9d s VAL 77 CO 0.05 0.47 0.08 0.00 0.00 0.00 0.00 175.10 175.70 2c9d s ALA 78 N 0.99 3.42 -0.02 5.51 0.00 -0.89 -1.24 121.76 129.53 2c9d s ALA 78 Ca -0.01 -0.80 0.05 0.00 0.00 0.00 0.00 51.96 51.20 2c9d s ALA 78 Cb -0.15 -2.00 -0.01 0.00 0.00 0.00 0.00 23.12 20.97 2c9d s ALA 78 CO -0.01 0.06 -0.16 -0.51 0.00 0.00 0.00 175.76 175.15 2c9d s LEU 79 N 0.58 2.00 0.00 0.00 1.43 -0.40 -0.86 118.68 121.43 2c9d s LEU 79 Ca 0.04 -0.29 0.00 0.00 -1.03 0.00 0.00 54.13 52.85 2c9d s LEU 79 Cb -0.13 -0.82 0.00 0.00 0.03 0.00 0.00 46.19 45.27 2c9d s LEU 79 CO 0.01 0.18 0.00 0.61 0.23 0.00 0.00 176.35 177.38 2c9d n GLY 80 N 2.79 -0.03 2.88 -3.19 0.00 -1.15 -1.66 105.19 104.82 2c9d n GLY 80 Ca -0.15 -0.94 -0.22 0.00 0.00 0.00 0.00 46.02 44.70 2c9d n GLY 80 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2c9d s VAL 81 N -2.00 0.64 -0.20 1.61 1.01 -1.26 -0.23 120.40 119.97 2c9d s VAL 81 Ca 0.00 -0.12 0.01 0.00 0.00 0.00 0.00 61.98 61.87 2c9d s VAL 81 Cb 0.00 -0.68 0.03 0.00 0.00 0.00 0.00 36.38 35.73 2c9d s VAL 81 CO 0.00 0.27 -0.16 -0.69 0.00 0.00 0.00 175.10 174.52 2c9d s VAL 82 N 1.30 1.97 -0.12 2.92 1.01 -0.23 -4.91 120.40 122.34 2c9d s VAL 82 Ca -0.05 -1.08 -0.01 0.00 0.00 0.00 0.00 61.98 60.84 2c9d s VAL 82 Cb -0.14 -1.90 -0.02 0.00 0.00 0.00 0.00 36.38 34.32 2c9d s VAL 82 CO -0.02 0.34 -0.08 -0.63 0.00 0.00 0.00 175.10 174.71 2c9d s ILE 83 N 1.28 3.50 0.43 2.22 1.01 -1.26 -2.39 121.20 125.99 2c9d s ILE 83 Ca 0.01 -0.51 -0.25 0.00 0.00 0.00 0.00 60.65 59.89 2c9d s ILE 83 Cb -0.15 -2.48 -0.08 0.00 0.01 0.00 0.00 42.46 39.76 2c9d s ILE 83 CO -0.10 0.53 1.32 -0.60 0.00 0.00 0.00 174.94 176.08 2c9d s ARG 84 N 0.08 3.83 0.00 2.79 3.52 -1.13 -4.95 118.95 123.09 2c9d s ARG 84 Ca -0.03 2.17 0.00 0.00 -0.13 0.00 0.00 55.73 57.74 2c9d s ARG 84 Cb -0.14 -2.67 0.00 0.00 -1.56 0.00 0.00 34.95 30.58 2c9d s ARG 84 CO 0.04 -0.61 0.00 0.41 -0.81 0.00 0.00 175.30 174.32 2c9d n GLY 85 N 0.64 4.01 0.55 8.12 0.00 -1.26 -4.93 105.19 112.31 2c9d n GLY 85 Ca 0.05 -1.68 0.08 0.00 0.00 0.00 0.00 46.02 44.47 2c9d n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2c9d n GLN 86 N 0.00 1.30 -4.40 1.61 10.64 -1.26 -4.99 117.38 120.28 2c9d n GLN 86 Ca 0.00 -1.27 -0.24 0.00 -1.83 0.00 0.00 57.00 53.66 2c9d n GLN 86 Cb 0.00 -1.28 -0.09 0.00 -0.86 0.00 0.00 30.24 28.01 2c9d n GLN 86 CO 0.00 0.00 0.00 0.95 -1.83 0.00 0.00 177.06 176.18 2c9d s THR 87 N -1.40 2.74 -2.00 -0.39 -4.23 -1.26 -5.01 115.64 104.09 2c9d s THR 87 Ca 0.17 -2.16 0.00 0.00 -1.18 0.00 0.00 61.69 58.52 2c9d s THR 87 Cb 0.13 -2.59 0.00 0.00 1.34 0.00 0.00 72.50 71.38 2c9d s THR 87 CO 0.23 -0.33 0.38 -2.65 -0.54 0.00 0.00 174.62 171.72 2c9d n PRO 88 N -0.78 0.37 -0.35 3.99 -0.02 -1.26 -3.70 135.00 133.25 2c9d n PRO 88 Ca -0.05 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.40 2c9d n PRO 88 Cb 0.61 -1.00 0.10 0.00 -0.02 0.00 0.00 33.50 33.18 2c9d n PRO 88 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2c9d h HIS 89 N 0.00 1.22 -0.87 6.00 2.76 -1.98 -2.60 115.15 119.68 2c9d h HIS 89 Ca 0.00 0.01 0.21 0.00 -2.20 0.00 0.00 60.37 58.39 2c9d h HIS 89 Cb 0.00 -0.41 -0.12 0.00 1.55 0.00 0.00 27.41 28.43 2c9d h HIS 89 CO 0.00 0.79 0.36 0.35 -1.30 0.00 0.00 177.93 178.13 2c9d h PHE 90 N 1.29 0.60 0.00 5.26 3.57 -1.93 -0.70 116.94 125.03 2c9d h PHE 90 Ca 0.34 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.84 2c9d h PHE 90 Cb -0.10 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.51 2c9d h PHE 90 CO 0.00 -0.04 -0.21 -0.44 -2.23 0.00 0.00 178.31 175.39 2c9d h ASP 91 N 0.39 0.00 0.80 0.41 3.32 -1.76 -3.05 116.42 116.53 2c9d h ASP 91 Ca 0.53 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 57.39 2c9d h ASP 91 Cb 0.98 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.50 2c9d h ASP 91 CO -0.52 0.21 -1.30 1.88 -1.72 0.00 0.00 179.24 177.79 2c9d h TYR 92 N 0.00 0.00 -0.11 4.55 0.05 -1.20 -2.92 116.97 117.34 2c9d h TYR 92 Ca -0.00 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.76 2c9d h TYR 92 Cb 0.54 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.28 2c9d h TYR 92 CO 0.00 0.71 0.01 0.28 -1.05 0.00 0.00 178.16 178.11 2c9d h VAL 93 N 0.00 1.24 -0.29 -2.88 2.07 -1.39 -2.95 116.25 112.04 2c9d h VAL 93 Ca -0.15 -0.77 -0.07 0.00 0.82 0.00 0.00 66.70 66.53 2c9d h VAL 93 Cb 1.68 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 32.98 2c9d h VAL 93 CO 0.07 0.22 -0.13 0.00 0.02 0.00 0.00 177.57 177.75 2c9d h ASP 95 N 0.46 0.34 -0.07 0.00 5.19 -1.51 -1.94 116.42 118.89 2c9d h ASP 95 Ca 0.09 -0.00 0.01 0.00 -0.62 0.00 0.00 57.03 56.50 2c9d h ASP 95 Cb 0.50 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 39.93 2c9d h ASP 95 CO 0.03 0.24 0.01 0.00 -3.12 0.00 0.00 179.24 176.40 2c9d h ALA 96 N 1.14 0.07 -0.44 3.45 0.00 -1.39 -2.15 119.26 119.94 2c9d h ALA 96 Ca 0.13 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.09 2c9d h ALA 96 Cb -0.01 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 2c9d h ALA 96 CO -0.05 -0.46 0.21 0.28 0.00 0.00 0.00 179.25 179.22 2c9d h VAL 97 N 0.04 0.94 0.09 0.00 2.07 -1.41 0.62 116.25 118.60 2c9d h VAL 97 Ca 0.03 -0.14 0.02 0.00 0.82 0.00 0.00 66.70 67.43 2c9d h VAL 97 Cb 0.03 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 30.25 2c9d h VAL 97 CO -0.05 0.08 -0.32 0.74 0.02 0.00 0.00 177.57 178.04 2c9d h THR 98 N 0.42 0.31 -0.49 2.57 2.02 -1.23 -1.86 112.91 114.66 2c9d h THR 98 Ca 0.19 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.33 2c9d h THR 98 Cb 0.12 0.31 -0.02 0.00 -1.74 0.00 0.00 68.15 66.83 2c9d h THR 98 CO -0.15 0.00 0.12 1.56 0.37 0.00 0.00 175.52 177.42 2c9d h GLN 99 N -0.53 0.77 0.51 6.66 4.20 -1.14 -2.84 115.11 122.75 2c9d h GLN 99 Ca 0.04 -0.18 -0.03 0.00 0.06 0.00 0.00 58.65 58.54 2c9d h GLN 99 Cb 0.57 -0.10 0.01 0.00 0.30 0.00 0.00 27.48 28.25 2c9d h GLN 99 CO -0.21 0.75 -0.25 0.78 -0.67 0.00 0.00 178.83 179.24 2c9d h GLY 100 N 0.66 -0.72 0.97 3.46 0.00 -0.79 -2.24 103.07 104.40 2c9d h GLY 100 Ca 0.15 0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.74 2c9d h GLY 100 CO 0.00 -0.26 0.22 1.41 0.00 0.00 0.00 176.54 177.91 2c9d h LEU 101 N -0.74 0.55 -0.38 3.11 3.38 -1.40 -1.34 115.31 118.50 2c9d h LEU 101 Ca -0.07 -0.11 0.05 0.00 0.09 0.00 0.00 57.88 57.83 2c9d h LEU 101 Cb 0.55 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 2c9d h LEU 101 CO 0.12 0.51 0.12 0.74 0.09 0.00 0.00 178.44 180.01 2c9d h THR 102 N 0.56 0.88 -0.84 0.22 2.02 -1.55 -1.73 112.91 112.46 2c9d h THR 102 Ca 0.15 -0.09 -0.03 0.00 0.77 0.00 0.00 66.41 67.20 2c9d h THR 102 Cb 0.09 0.58 -0.04 0.00 -1.74 0.00 0.00 68.15 67.04 2c9d h THR 102 CO -0.02 0.05 0.40 -0.09 0.37 0.00 0.00 175.52 176.22 2c9d h ARG 103 N 0.27 1.21 -0.16 6.66 2.43 -1.07 -3.00 114.38 120.73 2c9d h ARG 103 Ca 0.17 -0.18 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 2c9d h ARG 103 Cb 0.16 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 2c9d h ARG 103 CO -0.19 0.93 0.04 0.28 -1.51 0.00 0.00 179.97 179.52 2c9d h VAL 104 N 1.20 1.20 -0.76 0.20 2.07 -0.89 -1.96 116.25 117.32 2c9d h VAL 104 Ca 0.29 -0.64 0.08 0.00 0.82 0.00 0.00 66.70 67.25 2c9d h VAL 104 Cb 0.13 1.34 -0.07 0.00 -1.52 0.00 0.00 31.29 31.16 2c9d h VAL 104 CO -0.04 0.19 0.42 0.77 0.02 0.00 0.00 177.57 178.93 2c9d h SER 105 N 0.05 0.59 0.83 0.57 4.64 -1.26 -2.06 113.55 116.91 2c9d h SER 105 Ca 0.05 0.05 -0.21 0.00 -0.47 0.00 0.00 61.79 61.20 2c9d h SER 105 Cb 0.27 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.27 2c9d h SER 105 CO 0.00 0.35 -0.99 -0.07 -0.87 0.00 0.00 176.83 175.25 2c9d h LEU 106 N 0.72 0.12 -0.42 5.97 3.38 -1.50 -0.17 115.31 123.40 2c9d h LEU 106 Ca 0.36 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.21 2c9d h LEU 106 Cb 0.32 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 2c9d h LEU 106 CO -0.24 1.03 0.25 0.44 0.09 0.00 0.00 178.44 180.01 2c9d h ASP 107 N 0.03 0.51 0.00 -0.43 3.45 -1.07 -3.26 116.42 115.65 2c9d h ASP 107 Ca -0.04 -0.06 0.00 0.00 0.43 0.00 0.00 57.03 57.36 2c9d h ASP 107 Cb 1.70 -0.13 0.00 0.00 -0.56 0.00 0.00 39.33 40.34 2c9d h ASP 107 CO 0.14 0.42 -0.51 -1.54 -1.57 0.00 0.00 179.24 176.17 2c9d n SER 108 N -4.75 1.88 -3.72 6.45 3.41 -0.80 -4.98 113.62 111.12 2c9d n SER 108 Ca 0.01 -1.43 -0.24 0.00 -0.26 0.00 0.00 58.87 56.95 2c9d n SER 108 Cb 0.06 0.50 0.04 0.00 -0.26 0.00 0.00 64.21 64.55 2c9d n SER 108 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2c9d n SER 109 N -0.19 -3.05 -3.93 4.04 7.64 -0.16 -5.00 113.62 112.97 2c9d n SER 109 Ca 0.09 -0.74 -0.19 0.00 1.01 0.00 0.00 58.87 59.03 2c9d n SER 109 Cb 0.45 -4.28 -0.16 0.00 -1.01 0.00 0.00 64.21 59.21 2c9d n SER 109 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2c9d s THR 110 N -3.47 0.54 -0.03 0.44 2.01 -0.72 -5.04 115.64 109.37 2c9d s THR 110 Ca 0.28 -0.18 -0.30 0.00 0.31 0.00 0.00 61.69 61.80 2c9d s THR 110 Cb -0.13 -0.53 -0.07 0.00 0.01 0.00 0.00 72.50 71.77 2c9d s THR 110 CO 0.80 0.20 1.89 -2.84 -0.69 0.00 0.00 174.62 173.98 2c9d s PRO 111 N 0.55 4.02 -0.65 4.92 0.02 -1.26 -4.40 135.00 138.20 2c9d s PRO 111 Ca -0.07 2.38 -0.06 0.00 0.02 0.00 0.00 61.00 63.27 2c9d s PRO 111 Cb -0.11 -4.13 0.17 0.00 0.02 0.00 0.00 34.50 30.45 2c9d s PRO 111 CO 0.00 -1.08 0.49 0.42 -0.33 0.00 0.00 177.00 176.51 2c9d s ILE 112 N 4.83 4.16 0.34 2.83 -1.09 -1.26 -1.90 121.20 129.11 2c9d s ILE 112 Ca 0.85 -2.71 -0.29 0.00 -2.23 0.00 0.00 60.65 56.27 2c9d s ILE 112 Cb -0.38 -3.68 -0.11 0.00 -1.58 0.00 0.00 42.46 36.71 2c9d s ILE 112 CO 0.37 -0.89 1.52 0.00 -1.23 0.00 0.00 174.94 174.71 2c9d s ALA 113 N 0.17 3.64 -0.47 9.38 0.00 0.32 -4.90 121.76 129.90 2c9d s ALA 113 Ca 0.16 1.56 -0.14 0.00 0.00 0.00 0.00 51.96 53.54 2c9d s ALA 113 Cb -0.19 -3.62 0.08 0.00 0.00 0.00 0.00 23.12 19.39 2c9d s ALA 113 CO -0.04 -1.02 0.38 1.21 0.00 0.00 0.00 175.76 176.29 2c9d s ASN 114 N 0.09 6.06 -0.32 0.00 2.47 -1.26 -2.10 114.94 119.89 2c9d s ASN 114 Ca 0.57 -1.37 0.08 0.00 0.42 0.00 0.00 52.86 52.55 2c9d s ASN 114 Cb -0.47 -2.15 0.46 0.00 -1.45 0.00 0.00 41.25 37.64 2c9d s ASN 114 CO 0.57 -0.64 1.17 0.61 -3.72 0.00 0.00 177.10 175.09 2c9d n GLY 115 N 5.16 6.03 3.43 1.21 0.00 -0.04 -4.88 105.19 116.11 2c9d n GLY 115 Ca -0.12 -2.58 -0.41 0.00 0.00 0.00 0.00 46.02 42.90 2c9d n GLY 115 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2c9d s VAL 116 N -4.70 4.91 0.35 1.61 1.01 -1.24 -2.93 120.40 119.40 2c9d s VAL 116 Ca 0.49 -0.66 -0.28 0.00 0.00 0.00 0.00 61.98 61.53 2c9d s VAL 116 Cb 0.40 -3.68 -0.10 0.00 0.00 0.00 0.00 36.38 33.00 2c9d s VAL 116 CO -0.00 -0.20 1.25 -0.76 0.00 0.00 0.00 175.10 175.39 2c9d s LEU 117 N 1.63 4.36 -0.28 3.92 1.02 0.68 -4.93 118.68 125.08 2c9d s LEU 117 Ca 0.04 2.57 -0.02 0.00 0.02 0.00 0.00 54.13 56.73 2c9d s LEU 117 Cb -0.19 -3.77 0.09 0.00 0.02 0.00 0.00 46.19 42.35 2c9d s LEU 117 CO 0.08 -0.57 0.10 0.42 0.02 0.00 0.00 176.35 176.40 2c9d s THR 118 N -1.22 0.43 0.37 5.49 -4.23 -1.26 -1.06 115.64 114.15 2c9d s THR 118 Ca 0.51 -0.98 0.08 0.00 -1.18 0.00 0.00 61.69 60.12 2c9d s THR 118 Cb -0.37 -1.27 -0.07 0.00 1.34 0.00 0.00 72.50 72.13 2c9d s THR 118 CO 0.48 -0.61 -0.04 0.42 -0.54 0.00 0.00 174.62 174.32 2c9d s THR 119 N 1.86 2.05 -0.05 3.99 -4.23 -1.01 -5.03 115.64 113.21 2c9d s THR 119 Ca 0.08 -2.10 0.07 0.00 -1.18 0.00 0.00 61.69 58.55 2c9d s THR 119 Cb -0.17 -2.79 -0.24 0.00 1.34 0.00 0.00 72.50 70.64 2c9d s THR 119 CO -0.27 -0.11 0.62 0.78 -0.54 0.00 0.00 174.62 175.10 2c9d h ASN 120 N 1.94 0.13 -4.04 3.99 2.35 -1.95 -2.98 115.58 115.02 2c9d h ASN 120 Ca -0.43 -0.27 -0.38 0.00 -0.55 0.00 0.00 56.30 54.67 2c9d h ASN 120 Cb 1.24 -0.04 -0.14 0.00 0.05 0.00 0.00 38.32 39.43 2c9d h ASN 120 CO 0.75 1.24 -0.63 0.42 -1.65 0.00 0.00 177.43 177.56 2c9d s THR 121 N -2.59 0.84 0.22 2.81 -4.23 -1.26 -4.46 115.64 106.95 2c9d s THR 121 Ca -0.09 -2.01 -0.04 0.00 -1.18 0.00 0.00 61.69 58.37 2c9d s THR 121 Cb 0.08 -2.57 0.05 0.00 1.34 0.00 0.00 72.50 71.39 2c9d s THR 121 CO 0.81 -0.11 1.65 -0.33 -0.54 0.00 0.00 174.62 176.10 2c9d h GLU 122 N 2.36 0.81 -0.32 3.99 4.39 -1.97 -3.15 114.58 120.69 2c9d h GLU 122 Ca -0.39 -0.30 0.04 0.00 0.34 0.00 0.00 59.36 59.05 2c9d h GLU 122 Cb 1.24 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.80 2c9d h GLU 122 CO 0.64 0.92 0.11 0.93 -1.16 0.00 0.00 179.01 180.45 2c9d h GLU 123 N 0.72 0.24 -0.71 2.33 3.07 -1.99 -2.12 114.58 116.12 2c9d h GLU 123 Ca 0.11 -0.01 0.07 0.00 -0.50 0.00 0.00 59.36 59.02 2c9d h GLU 123 Cb 0.67 -0.05 -0.06 0.00 -0.84 0.00 0.00 28.75 28.47 2c9d h GLU 123 CO 0.05 0.16 0.39 1.96 -1.40 0.00 0.00 179.01 180.17 2c9d h GLN 124 N 0.25 0.69 -0.31 2.33 4.20 -1.97 -1.67 115.11 118.63 2c9d h GLN 124 Ca 0.14 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.78 2c9d h GLN 124 Cb 0.11 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 2c9d h GLN 124 CO -0.15 0.46 0.08 0.00 -0.67 0.00 0.00 178.83 178.55 2c9d h ALA 125 N 1.38 0.40 -0.50 3.87 0.00 -1.48 -2.96 119.26 119.97 2c9d h ALA 125 Ca 0.32 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.08 2c9d h ALA 125 Cb 0.23 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2c9d h ALA 125 CO -0.20 0.05 0.33 -0.07 0.00 0.00 0.00 179.25 179.37 2c9d h LEU 126 N 0.34 0.55 0.00 0.00 3.38 -1.03 -2.46 115.31 116.08 2c9d h LEU 126 Ca 0.10 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2c9d h LEU 126 Cb 0.27 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2c9d h LEU 126 CO -0.00 0.39 0.00 -0.67 0.09 0.00 0.00 178.44 178.25 2c9d n ASP 127 N -4.46 0.00 -0.14 -0.43 -0.08 -0.66 -3.30 116.55 107.48 2c9d n ASP 127 Ca 0.05 0.38 0.05 0.00 -1.51 0.00 0.00 54.79 53.76 2c9d n ASP 127 Cb 0.08 -0.46 0.09 0.00 2.34 0.00 0.00 41.12 43.17 2c9d n ASP 127 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2c9d n ARG 128 N -1.46 2.25 -0.04 -0.67 1.74 -0.93 -1.66 116.66 115.90 2c9d n ARG 128 Ca 0.07 -2.09 0.02 0.00 -0.77 0.00 0.00 57.85 55.08 2c9d n ARG 128 Cb 0.28 -1.29 -0.15 0.00 -1.02 0.00 0.00 32.46 30.28 2c9d n ARG 128 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2c9d n ALA 129 N -0.83 2.26 -0.25 7.54 0.00 -1.18 -2.17 120.51 125.88 2c9d n ALA 129 Ca 0.09 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 52.76 2c9d n ALA 129 Cb 0.47 -0.47 0.00 0.00 0.00 0.00 0.00 19.45 19.46 2c9d n ALA 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2c9d n GLY 130 N 1.56 1.53 3.89 0.00 0.00 -0.92 -3.97 105.19 107.27 2c9d n GLY 130 Ca -0.14 -0.09 -0.30 0.00 0.00 0.00 0.00 46.02 45.49 2c9d n GLY 130 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2c9d s LEU 131 N -0.04 2.93 0.17 0.99 1.43 -1.26 -4.91 118.68 117.99 2c9d s LEU 131 Ca 0.00 1.07 -0.01 0.00 -1.03 0.00 0.00 54.13 54.16 2c9d s LEU 131 Cb 0.00 -3.87 0.36 0.00 0.03 0.00 0.00 46.19 42.72 2c9d s LEU 131 CO 0.00 -1.32 0.90 -2.65 0.23 0.00 0.00 176.35 173.51 2c9d n PRO 132 N -2.96 -0.05 -0.67 1.29 -0.01 -1.26 -0.83 135.00 130.50 2c9d n PRO 132 Ca 0.07 0.88 -0.00 0.00 -0.01 0.00 0.00 63.50 64.43 2c9d n PRO 132 Cb 0.57 -1.36 0.21 0.00 -0.01 0.00 0.00 33.50 32.92 2c9d n PRO 132 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 175.50 175.74 2c9d n THR 133 N -4.81 2.44 -2.81 3.45 -2.24 -1.26 -5.04 114.28 104.02 2c9d n THR 133 Ca 0.12 -2.53 -0.32 0.00 -2.27 0.00 0.00 64.05 59.04 2c9d n THR 133 Cb 0.37 -0.30 -0.05 0.00 -2.10 0.00 0.00 70.33 68.25 2c9d n THR 133 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2c9d s SER 134 N -2.44 6.76 0.19 3.42 0.01 -0.01 -4.99 113.70 116.63 2c9d s SER 134 Ca 0.43 1.47 0.09 0.00 1.31 0.00 0.00 55.95 59.25 2c9d s SER 134 Cb 0.38 -2.46 0.05 0.00 0.21 0.00 0.00 66.02 64.20 2c9d s SER 134 CO 0.02 -0.38 1.43 0.00 0.41 0.00 0.00 173.24 174.72 2c9d h ALA 135 N 1.66 0.62 -2.81 1.44 0.00 -1.65 -3.47 119.26 115.06 2c9d h ALA 135 Ca -0.48 -0.74 -0.07 0.00 0.00 0.00 0.00 54.91 53.62 2c9d h ALA 135 Cb 1.18 -0.13 -0.10 0.00 0.00 0.00 0.00 17.79 18.74 2c9d h ALA 135 CO 0.63 1.01 -0.16 -1.21 0.00 0.00 0.00 179.25 179.52 2c9d s GLU 136 N -3.09 1.50 -0.33 0.00 2.02 -1.12 -5.07 118.70 112.61 2c9d s GLU 136 Ca 0.00 -1.26 -0.01 0.00 0.02 0.00 0.00 54.97 53.72 2c9d s GLU 136 Cb 0.11 0.45 0.12 0.00 0.10 0.00 0.00 34.13 34.91 2c9d s GLU 136 CO 0.79 -0.61 0.16 0.34 0.02 0.00 0.00 175.26 175.96 2c9d s ASP 137 N -3.02 3.44 0.39 -0.19 -1.08 -1.26 -2.17 116.67 112.78 2c9d s ASP 137 Ca 0.23 -1.80 0.12 0.00 -0.52 0.00 0.00 52.55 50.58 2c9d s ASP 137 Cb 0.00 -0.53 0.79 0.00 -1.46 0.00 0.00 42.92 41.72 2c9d s ASP 137 CO 0.08 -0.37 1.88 0.50 0.52 0.00 0.00 175.17 177.78 2c9d h LYS 138 N 7.70 0.09 -0.51 4.34 1.63 -1.68 -2.65 116.57 125.49 2c9d h LYS 138 Ca -0.08 -0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 59.67 2c9d h LYS 138 Cb 0.99 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.58 2c9d h LYS 138 CO 0.39 0.34 0.21 0.78 -3.45 0.00 0.00 179.45 177.72 2c9d h GLY 139 N 0.86 0.78 0.46 5.01 0.00 -1.83 -1.50 103.07 106.85 2c9d h GLY 139 Ca 0.01 -0.38 -0.05 0.00 0.00 0.00 0.00 47.33 46.92 2c9d h GLY 139 CO 0.04 0.36 -0.17 0.00 0.00 0.00 0.00 176.54 176.77 2c9d h ALA 140 N 1.51 0.05 -0.54 3.60 0.00 -1.70 -3.08 119.26 119.10 2c9d h ALA 140 Ca 0.18 -0.41 0.07 0.00 0.00 0.00 0.00 54.91 54.74 2c9d h ALA 140 Cb 0.13 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 2c9d h ALA 140 CO -0.02 0.02 0.22 1.96 0.00 0.00 0.00 179.25 181.43 2c9d h GLN 141 N -0.48 0.41 -0.59 0.00 4.20 -1.41 -2.11 115.11 115.12 2c9d h GLN 141 Ca -0.02 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.67 2c9d h GLN 141 Cb 0.87 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.53 2c9d h GLN 141 CO 0.03 0.27 0.38 0.00 -0.67 0.00 0.00 178.83 178.84 2c9d h ALA 142 N 1.34 0.75 -0.50 3.87 0.00 -1.37 -1.50 119.26 121.85 2c9d h ALA 142 Ca 0.26 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 55.00 2c9d h ALA 142 Cb 0.25 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2c9d h ALA 142 CO -0.23 0.21 -0.11 1.15 0.00 0.00 0.00 179.25 180.26 2c9d h THR 143 N 0.80 1.27 -0.38 0.00 2.02 -1.41 -1.49 112.91 113.72 2c9d h THR 143 Ca 0.21 -1.26 -0.02 0.00 0.77 0.00 0.00 66.41 66.11 2c9d h THR 143 Cb -0.06 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 2c9d h THR 143 CO -0.04 0.44 0.13 0.58 0.37 0.00 0.00 175.52 176.99 2c9d h VAL 144 N 0.83 1.16 -0.32 3.16 2.07 -1.23 -1.71 116.25 120.21 2c9d h VAL 144 Ca 0.13 -0.52 -0.10 0.00 0.82 0.00 0.00 66.70 67.03 2c9d h VAL 144 Cb 0.67 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 2c9d h VAL 144 CO 0.05 0.19 -0.19 0.00 0.02 0.00 0.00 177.57 177.64 2c9d h ALA 145 N 1.61 0.45 0.15 1.67 0.00 -0.85 -2.81 119.26 119.49 2c9d h ALA 145 Ca 0.13 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 2c9d h ALA 145 Cb 0.15 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2c9d h ALA 145 CO -0.01 0.39 -0.07 0.00 0.00 0.00 0.00 179.25 179.56 2c9d h ALA 146 N 0.75 -0.20 -0.82 0.00 0.00 -1.02 -2.66 119.26 115.31 2c9d h ALA 146 Ca 0.07 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.87 2c9d h ALA 146 Cb 0.74 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 2c9d h ALA 146 CO 0.05 -0.48 0.51 -0.07 0.00 0.00 0.00 179.25 179.26 2c9d h LEU 147 N -0.47 0.83 -0.39 0.00 3.38 -1.40 -1.68 115.31 115.57 2c9d h LEU 147 Ca -0.02 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.81 2c9d h LEU 147 Cb 0.37 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2c9d h LEU 147 CO 0.03 0.56 -0.32 0.00 0.09 0.00 0.00 178.44 178.80 2c9d h ALA 148 N 1.36 0.57 -0.12 1.53 0.00 -1.54 -2.49 119.26 118.57 2c9d h ALA 148 Ca 0.34 -0.43 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 2c9d h ALA 148 Cb 0.07 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2c9d h ALA 148 CO -0.14 0.62 -0.44 1.15 0.00 0.00 0.00 179.25 180.44 2c9d h THR 149 N 0.72 1.32 -0.60 0.00 2.02 -1.23 -1.91 112.91 113.24 2c9d h THR 149 Ca 0.07 -1.61 -0.04 0.00 0.77 0.00 0.00 66.41 65.60 2c9d h THR 149 Cb 0.90 1.72 -0.03 0.00 -1.74 0.00 0.00 68.15 69.00 2c9d h THR 149 CO 0.08 0.48 0.21 0.00 0.37 0.00 0.00 175.52 176.66 2c9d h ALA 150 N 1.29 0.78 -0.62 6.16 0.00 -1.25 -2.03 119.26 123.58 2c9d h ALA 150 Ca 0.02 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 2c9d h ALA 150 Cb 0.88 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2c9d h ALA 150 CO 0.07 0.42 0.12 -0.07 0.00 0.00 0.00 179.25 179.80 2c9d h LEU 151 N 0.84 0.97 0.02 0.00 3.38 -1.19 -1.70 115.31 117.62 2c9d h LEU 151 Ca 0.19 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 2c9d h LEU 151 Cb 0.25 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2c9d h LEU 151 CO -0.01 0.97 -0.01 0.74 0.09 0.00 0.00 178.44 180.22 2c9d h THR 152 N 0.93 1.03 -0.58 0.22 2.02 -1.28 -2.27 112.91 112.97 2c9d h THR 152 Ca 0.19 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 67.24 2c9d h THR 152 Cb 0.40 1.11 -0.03 0.00 -1.74 0.00 0.00 68.15 67.89 2c9d h THR 152 CO 0.01 0.03 0.33 -0.07 0.37 0.00 0.00 175.52 176.19 2c9d h LEU 153 N -0.07 0.70 -1.01 2.58 3.38 -1.30 -0.69 115.31 118.91 2c9d h LEU 153 Ca -0.00 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 57.94 2c9d h LEU 153 Cb 0.07 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.59 2c9d h LEU 153 CO 0.00 0.56 0.67 -0.09 0.09 0.00 0.00 178.44 179.67 2c9d h ARG 154 N 0.80 1.32 0.04 1.13 9.65 -1.12 -1.39 114.38 124.80 2c9d h ARG 154 Ca 0.21 -0.08 -0.26 0.00 -1.10 0.00 0.00 59.98 58.75 2c9d h ARG 154 Cb 0.00 -0.30 0.02 0.00 -1.39 0.00 0.00 29.97 28.31 2c9d h ARG 154 CO -0.04 0.87 -1.04 1.49 2.80 0.00 0.00 179.97 184.06 2c9d h GLU 155 N 1.36 0.63 -0.53 0.20 4.22 -0.74 -3.29 114.58 116.43 2c9d h GLU 155 Ca 0.37 -0.73 -0.05 0.00 0.08 0.00 0.00 59.36 59.02 2c9d h GLU 155 Cb -0.15 0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 2c9d h GLU 155 CO -0.08 1.31 0.12 -0.07 -2.18 0.00 0.00 179.01 178.11 2c9d h LEU 156 N 0.26 0.82-10.47 1.64 3.38 -1.11 -3.46 115.31 106.38 2c9d h LEU 156 Ca -0.14 -0.24 -0.42 0.00 0.09 0.00 0.00 57.88 57.17 2c9d h LEU 156 Cb 1.71 -0.22 0.19 0.00 0.09 0.00 0.00 40.66 42.43 2c9d h LEU 156 CO 0.20 0.84 0.18 -0.13 0.09 0.00 0.00 178.44 179.63 2c9d s ARG 157 N -5.28 -0.96 -0.17 1.13 0.52 -0.53 -4.91 118.95 108.76 2c9d s ARG 157 Ca -0.13 -0.14 -0.29 0.00 -0.52 0.00 0.00 55.73 54.65 2c9d s ARG 157 Cb 0.12 -1.63 -0.04 0.00 0.52 0.00 0.00 34.95 33.91 2c9d s ARG 157 CO 0.80 -3.52 1.77 0.00 0.02 0.00 0.00 175.30 174.37 2c9d s ALA 158 N -3.16 3.26 0.16 2.13 0.00 -1.26 -4.98 121.76 117.90 2c9d s ALA 158 Ca 0.72 0.69 -0.12 0.00 0.00 0.00 0.00 51.96 53.24 2c9d s ALA 158 Cb -0.08 -3.88 0.01 0.00 0.00 0.00 0.00 23.12 19.17 2c9d s ALA 158 CO 0.55 -1.99 0.36 -3.38 0.00 0.00 0.00 175.76 171.30 2c9d s HIS 159 N 5.50 0.12 -1.14 0.00 -3.43 -1.26 -5.11 115.29 109.96 2c9d s HIS 159 Ca 0.79 -0.48 0.09 0.00 -0.80 0.00 0.00 55.06 54.66 2c9d s HIS 159 Cb -0.30 0.12 0.07 0.00 -1.43 0.00 0.00 32.58 31.05 2c9d s HIS 159 CO 0.32 -0.75 0.79 0.45 -2.00 0.00 0.00 174.74 173.55