#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mcu h LEU 3 N 0.00 0.00 -9.40 1.04 4.07 -1.97 -3.44 115.31 105.61 3mcu h LEU 3 Ca 0.00 0.00 -0.53 0.00 0.08 0.00 0.00 57.88 57.43 3mcu h LEU 3 Cb 0.00 0.00 0.03 0.00 1.08 0.00 0.00 40.66 41.77 3mcu h LEU 3 CO 0.00 0.27 1.21 -0.75 -1.08 0.00 0.00 178.44 178.09 3mcu s LYS 4 N -3.43 4.14 0.00 1.13 2.20 -1.19 -1.10 119.74 121.49 3mcu s LYS 4 Ca 0.02 2.63 0.00 0.00 -0.36 0.00 0.00 55.97 58.26 3mcu s LYS 4 Cb 0.09 -4.00 0.00 0.00 -1.51 0.00 0.00 37.83 32.41 3mcu s LYS 4 CO 0.67 -0.93 0.00 0.41 -0.36 0.00 0.00 175.35 175.14 3mcu n GLY 5 N 4.47 3.07 3.76 5.54 0.00 -0.48 -4.92 105.19 116.63 3mcu n GLY 5 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 3mcu n GLY 5 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mcu s LYS 6 N -0.63 4.43 -0.39 1.61 -0.14 -0.26 -4.69 119.74 119.68 3mcu s LYS 6 Ca 0.00 1.93 -0.16 0.00 -1.36 0.00 0.00 55.97 56.38 3mcu s LYS 6 Cb 0.00 -3.04 0.01 0.00 -1.68 0.00 0.00 37.83 33.12 3mcu s LYS 6 CO 0.00 -0.02 0.40 1.03 -0.76 0.00 0.00 175.35 176.01 3mcu s ARG 7 N -1.74 3.27 -0.23 1.68 0.52 -1.26 -0.97 118.95 120.23 3mcu s ARG 7 Ca 0.48 -0.64 0.00 0.00 -0.52 0.00 0.00 55.73 55.06 3mcu s ARG 7 Cb -0.34 -3.90 0.03 0.00 0.52 0.00 0.00 34.95 31.26 3mcu s ARG 7 CO 0.44 -0.72 -0.12 0.42 0.02 0.00 0.00 175.30 175.34 3mcu s ILE 8 N 2.07 2.48 0.48 1.52 1.01 0.38 -0.64 121.20 128.51 3mcu s ILE 8 Ca 0.12 -1.09 -0.21 0.00 0.00 0.00 0.00 60.65 59.47 3mcu s ILE 8 Cb -0.17 -2.22 -0.08 0.00 0.01 0.00 0.00 42.46 40.00 3mcu s ILE 8 CO 0.13 0.28 1.07 -0.83 0.00 0.00 0.00 174.94 175.59 3mcu s GLY 9 N 1.28 2.60 -0.18 6.18 0.00 -0.35 -0.67 107.32 116.18 3mcu s GLY 9 Ca 0.00 0.71 -0.05 0.00 0.00 0.00 0.00 44.72 45.39 3mcu s GLY 9 CO -0.07 1.07 0.08 -0.12 0.00 0.00 0.00 173.10 174.06 3mcu s PHE 10 N -1.83 0.35 -0.13 1.90 5.36 0.26 -0.69 117.98 123.20 3mcu s PHE 10 Ca 0.67 -0.46 -0.06 0.00 -0.96 0.00 0.00 56.93 56.12 3mcu s PHE 10 Cb -0.20 -0.77 -0.04 0.00 -0.34 0.00 0.00 43.02 41.67 3mcu s PHE 10 CO 0.24 -0.55 0.08 0.20 -1.46 0.00 0.00 175.22 173.73 3mcu s GLY 11 N 2.09 1.99 -0.10 13.12 0.00 0.14 0.47 107.32 125.03 3mcu s GLY 11 Ca 0.02 -0.72 0.01 0.00 0.00 0.00 0.00 44.72 44.03 3mcu s GLY 11 CO -0.11 -0.28 -0.11 -1.36 0.00 0.00 0.00 173.10 171.23 3mcu s PHE 12 N -0.51 2.82 0.12 1.90 0.40 -0.71 -1.07 117.98 120.93 3mcu s PHE 12 Ca 0.11 -0.38 0.07 0.00 -0.60 0.00 0.00 56.93 56.13 3mcu s PHE 12 Cb -0.12 -1.78 -0.04 0.00 0.51 0.00 0.00 43.02 41.60 3mcu s PHE 12 CO 0.02 -0.01 -0.17 0.95 0.70 0.00 0.00 175.22 176.72 3mcu s THR 13 N -0.11 1.50 0.00 0.64 -4.23 -1.16 -3.14 115.64 109.14 3mcu s THR 13 Ca -0.01 -1.66 0.00 0.00 -1.18 0.00 0.00 61.69 58.84 3mcu s THR 13 Cb -0.14 -1.54 0.00 0.00 1.34 0.00 0.00 72.50 72.16 3mcu s THR 13 CO 0.03 -0.28 0.00 0.61 -0.54 0.00 0.00 174.62 174.44 3mcu n GLY 14 N 0.71 -1.90 3.74 3.99 0.00 -1.26 -4.58 105.19 105.89 3mcu n GLY 14 Ca -0.17 -1.64 -0.42 0.00 0.00 0.00 0.00 46.02 43.80 3mcu n GLY 14 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3mcu s SER 15 N -4.00 6.43 0.40 1.61 0.15 -1.26 -4.88 113.70 112.15 3mcu s SER 15 Ca 0.00 2.87 0.16 0.00 0.70 0.00 0.00 55.95 59.68 3mcu s SER 15 Cb 0.00 -2.62 1.03 0.00 -1.71 0.00 0.00 66.02 62.72 3mcu s SER 15 CO 0.00 -0.89 1.85 0.45 1.20 0.00 0.00 173.24 175.84 3mcu h HIS 16 N 5.44 0.61 -0.60 3.44 -0.00 -2.02 -2.23 115.15 119.80 3mcu h HIS 16 Ca -0.46 0.02 0.07 0.00 -0.00 0.00 0.00 60.37 60.01 3mcu h HIS 16 Cb 1.21 -0.19 -0.06 0.00 -0.00 0.00 0.00 27.41 28.38 3mcu h HIS 16 CO 0.60 0.16 0.27 0.00 -0.00 0.00 0.00 177.93 178.97 3mcu n THR 18 N -4.91 0.00 0.48 0.00 -2.24 -0.84 -3.04 114.28 103.72 3mcu n THR 18 Ca 0.08 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.97 3mcu n THR 18 Cb 0.22 -0.78 0.05 0.00 -2.10 0.00 0.00 70.33 67.71 3mcu n THR 18 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3mcu n TYR 19 N -0.82 0.43 1.20 4.78 4.01 -1.01 -4.17 117.16 121.57 3mcu n TYR 19 Ca 0.01 0.12 0.10 0.00 -0.16 0.00 0.00 57.90 57.98 3mcu n TYR 19 Cb 0.01 -0.57 0.58 0.00 -0.31 0.00 0.00 39.34 39.04 3mcu n TYR 19 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 3mcu n GLU 20 N -2.11 0.57 0.00 -0.72 4.07 -1.17 -2.08 120.64 119.20 3mcu n GLU 20 Ca 0.02 0.02 0.08 0.00 -0.06 0.00 0.00 57.16 57.22 3mcu n GLU 20 Cb 0.46 -1.50 -0.04 0.00 -0.06 0.00 0.00 31.44 30.29 3mcu n GLU 20 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 3mcu n GLU 21 N -1.05 1.51 -3.04 5.31 0.00 -1.26 -4.76 120.64 117.35 3mcu n GLU 21 Ca 0.14 -0.47 -0.36 0.00 0.00 0.00 0.00 57.16 56.47 3mcu n GLU 21 Cb 0.08 -1.31 -0.02 0.00 0.00 0.00 0.00 31.44 30.19 3mcu n GLU 21 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46 3mcu n VAL 22 N -0.68 4.34 0.00 6.31 0.24 -0.88 -4.75 118.33 122.91 3mcu n VAL 22 Ca 0.05 -5.70 0.00 0.00 -2.04 0.00 0.00 64.34 56.65 3mcu n VAL 22 Cb 0.32 -1.88 0.00 0.00 -1.47 0.00 0.00 33.84 30.81 3mcu n VAL 22 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 3mcu n PRO 24 N 0.69 0.00 -0.00 7.34 -0.02 -1.26 -1.61 135.00 140.13 3mcu n PRO 24 Ca 0.32 0.00 -0.17 0.00 -2.02 0.00 0.00 63.50 61.62 3mcu n PRO 24 Cb 0.35 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 33.76 3mcu n PRO 24 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3mcu h HIS 25 N 0.00 1.04 -0.24 6.00 3.86 -1.98 0.35 115.15 124.17 3mcu h HIS 25 Ca 0.00 -0.48 0.04 0.00 -1.16 0.00 0.00 60.37 58.76 3mcu h HIS 25 Cb 0.00 -0.15 -0.03 0.00 1.06 0.00 0.00 27.41 28.29 3mcu h HIS 25 CO 0.00 1.31 0.02 1.25 0.86 0.00 0.00 177.93 181.38 3mcu h LEU 26 N 0.49 -0.04 -1.00 2.43 6.46 -1.71 -0.29 115.31 121.66 3mcu h LEU 26 Ca -0.07 0.04 0.04 0.00 -0.12 0.00 0.00 57.88 57.78 3mcu h LEU 26 Cb 1.47 0.07 -0.06 0.00 -0.73 0.00 0.00 40.66 41.41 3mcu h LEU 26 CO 0.17 0.01 0.65 -0.08 -0.62 0.00 0.00 178.44 178.57 3mcu h GLU 27 N 0.11 1.22 -0.45 1.25 4.57 -1.79 -2.52 114.58 116.96 3mcu h GLU 27 Ca 0.11 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 3mcu h GLU 27 Cb 0.13 -0.27 -0.02 0.00 -0.16 0.00 0.00 28.75 28.42 3mcu h GLU 27 CO -0.17 0.81 0.30 0.87 -1.18 0.00 0.00 179.01 179.64 3mcu h LYS 28 N 1.25 0.60 -0.43 1.92 1.57 0.45 -1.48 116.57 120.45 3mcu h LYS 28 Ca 0.40 -0.04 0.06 0.00 -1.87 0.00 0.00 60.65 59.20 3mcu h LYS 28 Cb 0.02 -0.13 -0.05 0.00 0.08 0.00 0.00 32.23 32.15 3mcu h LYS 28 CO -0.13 0.41 0.13 -0.07 -0.57 0.00 0.00 179.45 179.21 3mcu h LEU 29 N 0.61 0.11 -0.80 2.94 3.38 -0.66 -1.92 115.31 118.96 3mcu h LEU 29 Ca 0.17 0.06 -0.10 0.00 0.09 0.00 0.00 57.88 58.09 3mcu h LEU 29 Cb -0.06 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3mcu h LEU 29 CO -0.04 0.09 -0.21 0.16 0.09 0.00 0.00 178.44 178.54 3mcu h ILE 30 N 0.28 1.27 0.00 1.22 -0.00 -1.34 -1.96 117.51 116.98 3mcu h ILE 30 Ca 0.20 -1.28 -0.00 0.00 -0.00 0.00 0.00 64.86 63.78 3mcu h ILE 30 Cb 0.22 1.23 -0.00 0.00 -0.00 0.00 0.00 36.82 38.27 3mcu h ILE 30 CO -0.23 0.42 -0.01 0.00 -0.00 0.00 0.00 178.15 178.33 3mcu h ALA 31 N 1.18 1.05 -0.04 0.16 0.00 -0.71 -2.00 119.26 118.90 3mcu h ALA 31 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3mcu h ALA 31 Cb 0.68 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3mcu h ALA 31 CO 0.05 0.02 0.00 -1.91 0.00 0.00 0.00 179.25 177.41 3mcu n GLU 32 N -3.18 1.76 0.00 0.00 4.07 -0.76 -4.93 120.64 117.59 3mcu n GLU 32 Ca -0.02 -1.11 0.00 0.00 -0.06 0.00 0.00 57.16 55.97 3mcu n GLU 32 Cb 0.16 -1.47 0.00 0.00 -0.06 0.00 0.00 31.44 30.08 3mcu n GLU 32 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3mcu n GLY 33 N 1.20 0.54 3.82 8.31 0.00 -0.75 -3.17 105.19 115.14 3mcu n GLY 33 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 3mcu n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mcu s ALA 34 N -2.00 3.12 -0.08 4.61 0.00 -1.03 -1.39 121.76 124.99 3mcu s ALA 34 Ca 0.00 0.34 -0.22 0.00 0.00 0.00 0.00 51.96 52.08 3mcu s ALA 34 Cb 0.00 -3.07 -0.04 0.00 0.00 0.00 0.00 23.12 20.01 3mcu s ALA 34 CO 0.00 0.18 0.62 -1.21 0.00 0.00 0.00 175.76 175.35 3mcu s GLU 35 N -3.01 4.40 -0.24 0.00 2.02 -0.14 -4.27 118.70 117.45 3mcu s GLU 35 Ca 0.59 0.73 -0.04 0.00 0.02 0.00 0.00 54.97 56.27 3mcu s GLU 35 Cb -0.10 -3.44 -0.00 0.00 0.10 0.00 0.00 34.13 30.69 3mcu s GLU 35 CO 0.15 0.12 -0.01 0.08 0.02 0.00 0.00 175.26 175.61 3mcu s VAL 36 N 0.67 3.48 -0.46 2.63 1.01 -1.26 -0.47 120.40 125.99 3mcu s VAL 36 Ca 0.33 -0.58 -0.10 0.00 0.00 0.00 0.00 61.98 61.63 3mcu s VAL 36 Cb -0.17 -2.65 0.11 0.00 0.00 0.00 0.00 36.38 33.67 3mcu s VAL 36 CO 0.16 0.32 0.34 -0.13 0.00 0.00 0.00 175.10 175.79 3mcu s ARG 37 N 1.47 2.58 0.37 2.72 1.81 0.16 -4.66 118.95 123.40 3mcu s ARG 37 Ca 0.04 -1.66 -0.26 0.00 -1.72 0.00 0.00 55.73 52.13 3mcu s ARG 37 Cb -0.15 -3.93 -0.09 0.00 -0.45 0.00 0.00 34.95 30.33 3mcu s ARG 37 CO -0.02 -1.14 1.14 -2.14 -0.68 0.00 0.00 175.30 172.47 3mcu s PRO 38 N 1.41 4.21 -0.02 3.54 0.02 -1.26 -0.57 135.00 142.33 3mcu s PRO 38 Ca 0.05 1.79 0.00 0.00 0.02 0.00 0.00 61.00 62.86 3mcu s PRO 38 Cb -0.26 -2.77 0.02 0.00 0.02 0.00 0.00 34.50 31.51 3mcu s PRO 38 CO 0.01 -0.17 0.00 0.54 -0.33 0.00 0.00 177.00 177.04 3mcu s VAL 39 N -1.39 0.11 0.00 3.83 0.11 0.18 -1.79 120.40 121.45 3mcu s VAL 39 Ca 0.54 0.06 0.07 0.00 -2.93 0.00 0.00 61.98 59.72 3mcu s VAL 39 Cb -0.30 -0.17 -0.02 0.00 -1.53 0.00 0.00 36.38 34.36 3mcu s VAL 39 CO 0.38 0.09 -0.21 0.68 -3.33 0.00 0.00 175.10 172.71 3mcu s VAL 40 N 0.63 1.70 -1.06 2.04 -7.23 -0.63 -1.75 120.40 114.11 3mcu s VAL 40 Ca -0.06 -1.01 0.05 0.00 -1.81 0.00 0.00 61.98 59.15 3mcu s VAL 40 Cb -0.09 -1.43 0.04 0.00 0.56 0.00 0.00 36.38 35.46 3mcu s VAL 40 CO -0.01 0.40 1.12 -1.20 -0.31 0.00 0.00 175.10 175.10 3mcu n SER 41 N 2.33 0.00 0.00 4.85 7.64 -1.19 -4.52 113.62 122.73 3mcu n SER 41 Ca -0.16 0.46 0.00 0.00 1.01 0.00 0.00 58.87 60.18 3mcu n SER 41 Cb 0.53 -0.47 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 3mcu n SER 41 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 3mcu n TYR 42 N -1.47 0.00 0.00 1.43 4.01 -1.26 -4.77 117.16 115.10 3mcu n TYR 42 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 3mcu n TYR 42 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.08 3mcu n TYR 42 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3mcu n ALA 55 N -3.00 0.00 0.11 -0.72 0.00 -1.26 -4.92 120.51 110.72 3mcu n ALA 55 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 3mcu n ALA 55 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 3mcu n ALA 55 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 3mcu h GLU 56 N 0.00 0.38 -0.17 0.00 9.09 -2.05 -3.27 114.58 118.57 3mcu h GLU 56 Ca 0.00 -0.66 -0.14 0.00 0.05 0.00 0.00 59.36 58.61 3mcu h GLU 56 Cb 0.00 0.24 -0.01 0.00 -1.65 0.00 0.00 28.75 27.33 3mcu h GLU 56 CO 0.00 1.30 -0.49 0.11 0.05 0.00 0.00 179.01 179.99 3mcu h TRP 57 N 0.10 0.55 -0.48 2.06 5.08 -2.00 -2.87 115.95 118.40 3mcu h TRP 57 Ca -0.21 -0.18 -0.09 0.00 1.08 0.00 0.00 58.89 59.49 3mcu h TRP 57 Cb 2.07 -0.11 -0.02 0.00 -3.00 0.00 0.00 29.16 28.10 3mcu h TRP 57 CO 0.09 0.85 -0.05 0.97 -1.28 0.00 0.00 178.44 179.03 3mcu h ILE 58 N 0.36 1.27 -0.54 0.12 6.09 -2.00 -2.54 117.51 120.26 3mcu h ILE 58 Ca 0.02 -1.14 -0.03 0.00 -1.37 0.00 0.00 64.86 62.34 3mcu h ILE 58 Cb 0.99 1.04 -0.03 0.00 0.47 0.00 0.00 36.82 39.29 3mcu h ILE 58 CO 0.09 0.40 0.22 0.11 -3.07 0.00 0.00 178.15 175.90 3mcu h LYS 59 N 0.72 0.78 -0.64 2.19 1.57 -1.59 0.14 116.57 119.74 3mcu h LYS 59 Ca 0.13 -0.11 -0.08 0.00 -1.87 0.00 0.00 60.65 58.71 3mcu h LYS 59 Cb 0.57 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 3mcu h LYS 59 CO 0.03 0.63 0.07 -0.22 -0.57 0.00 0.00 179.45 179.39 3mcu h LYS 60 N 0.77 1.08 -0.45 3.15 3.64 -1.30 0.14 116.57 123.59 3mcu h LYS 60 Ca 0.19 -0.31 -0.12 0.00 -1.27 0.00 0.00 60.65 59.13 3mcu h LYS 60 Cb 0.14 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 3mcu h LYS 60 CO -0.02 1.02 -0.20 0.82 -2.27 0.00 0.00 179.45 178.79 3mcu h ILE 61 N 0.99 1.27 0.00 2.00 2.04 -1.00 0.31 117.51 123.13 3mcu h ILE 61 Ca 0.19 -1.35 -0.07 0.00 1.00 0.00 0.00 64.86 64.62 3mcu h ILE 61 Cb 0.49 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.69 3mcu h ILE 61 CO 0.02 0.46 -0.35 -0.33 0.00 0.00 0.00 178.15 177.95 3mcu h GLU 62 N 0.79 0.00 0.18 2.37 5.08 -0.46 -2.44 114.58 120.11 3mcu h GLU 62 Ca 0.11 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.22 3mcu h GLU 62 Cb 0.76 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.03 3mcu h GLU 62 CO 0.06 0.35 -1.09 1.49 -1.00 0.00 0.00 179.01 178.82 3mcu h GLU 63 N 0.00 0.38 0.60 2.33 4.81 -0.49 -3.27 114.58 118.95 3mcu h GLU 63 Ca -0.00 -0.65 -0.03 0.00 -0.13 0.00 0.00 59.36 58.55 3mcu h GLU 63 Cb 0.78 0.24 0.00 0.00 0.63 0.00 0.00 28.75 30.40 3mcu h GLU 63 CO 0.05 1.31 -0.32 0.82 -0.73 0.00 0.00 179.01 180.13 3mcu h ILE 64 N -0.19 0.34 -4.18 2.32 2.04 -0.91 -3.40 117.51 113.52 3mcu h ILE 64 Ca -0.19 0.00 -0.50 0.00 1.00 0.00 0.00 64.86 65.16 3mcu h ILE 64 Cb 1.83 0.34 0.06 0.00 -0.74 0.00 0.00 36.82 38.31 3mcu h ILE 64 CO 0.19 0.00 0.35 0.42 0.00 0.00 0.00 178.15 179.11 3mcu s THR 65 N -6.05 4.67 -1.98 -0.27 -4.23 -0.92 -4.97 115.64 101.88 3mcu s THR 65 Ca -0.17 0.70 0.07 0.00 -1.18 0.00 0.00 61.69 61.10 3mcu s THR 65 Cb 0.04 -3.84 0.19 0.00 1.34 0.00 0.00 72.50 70.23 3mcu s THR 65 CO 0.62 -1.05 1.16 0.61 -0.54 0.00 0.00 174.62 175.42 3mcu n GLY 66 N -2.66 0.05 3.44 3.99 0.00 -1.26 -4.58 105.19 104.17 3mcu n GLY 66 Ca 0.05 -0.24 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 3mcu n GLY 66 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3mcu s PHE 67 N -1.71 2.65 0.23 1.61 0.08 -1.23 -5.00 117.98 114.62 3mcu s PHE 67 Ca 0.15 -0.25 -0.31 0.00 0.12 0.00 0.00 56.93 56.64 3mcu s PHE 67 Cb 0.08 -1.63 -0.10 0.00 -0.57 0.00 0.00 43.02 40.79 3mcu s PHE 67 CO 0.10 0.11 1.53 0.15 -0.10 0.00 0.00 175.22 177.02 3mcu s LYS 68 N -0.61 4.21 0.32 0.44 -0.14 -1.26 -4.45 119.74 118.24 3mcu s LYS 68 Ca 0.09 2.40 -0.29 0.00 -1.36 0.00 0.00 55.97 56.81 3mcu s LYS 68 Cb -0.11 -3.10 -0.11 0.00 -1.68 0.00 0.00 37.83 32.83 3mcu s LYS 68 CO 0.01 -0.55 1.49 0.00 -0.76 0.00 0.00 175.35 175.53 3mcu s ALA 69 N 0.46 3.63 0.06 5.17 0.00 -1.26 -4.79 121.76 125.03 3mcu s ALA 69 Ca 0.65 1.49 -0.31 0.00 0.00 0.00 0.00 51.96 53.79 3mcu s ALA 69 Cb -0.44 -3.59 -0.07 0.00 0.00 0.00 0.00 23.12 19.01 3mcu s ALA 69 CO 0.39 -0.92 1.44 0.42 0.00 0.00 0.00 175.76 177.10 3mcu s ILE 70 N -0.59 3.40 -0.00 0.00 1.01 -0.74 -4.90 121.20 119.39 3mcu s ILE 70 Ca 0.57 0.91 0.00 0.00 0.00 0.00 0.00 60.65 62.12 3mcu s ILE 70 Cb -0.45 -3.58 0.00 0.00 0.01 0.00 0.00 42.46 38.44 3mcu s ILE 70 CO 0.54 0.03 0.69 -0.46 0.00 0.00 0.00 174.94 175.74 3mcu n ASN 71 N 4.80 0.76 -4.15 3.58 0.23 -1.26 -1.60 115.26 117.62 3mcu n ASN 71 Ca 0.13 -1.38 -0.14 0.00 -0.53 0.00 0.00 54.58 52.65 3mcu n ASN 71 Cb 0.42 -0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 38.01 3mcu n ASN 71 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 3mcu s SER 72 N -0.39 1.31 0.44 0.53 1.04 -1.26 -4.73 113.70 110.64 3mcu s SER 72 Ca 0.00 -0.76 0.09 0.00 0.48 0.00 0.00 55.95 55.76 3mcu s SER 72 Cb 0.00 0.02 0.97 0.00 0.10 0.00 0.00 66.02 67.10 3mcu s SER 72 CO 0.00 -0.26 2.08 0.40 0.98 0.00 0.00 173.24 176.44 3mcu h ILE 73 N 3.76 1.08 -0.02 -1.02 2.04 -1.91 -1.93 117.51 119.50 3mcu h ILE 73 Ca -0.37 -0.15 -0.18 0.00 1.00 0.00 0.00 64.86 65.16 3mcu h ILE 73 Cb 1.19 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 3mcu h ILE 73 CO 0.51 0.08 -0.77 0.58 0.00 0.00 0.00 178.15 178.54 3mcu h VAL 74 N 0.41 1.46 0.00 1.67 2.07 -1.99 -2.53 116.25 117.34 3mcu h VAL 74 Ca 0.11 -2.40 0.00 0.00 0.82 0.00 0.00 66.70 65.23 3mcu h VAL 74 Cb -0.04 2.30 0.00 0.00 -1.52 0.00 0.00 31.29 32.03 3mcu h VAL 74 CO -0.02 0.70 0.00 1.23 0.02 0.00 0.00 177.57 179.50 3mcu h GLY 75 N 1.76 0.00 1.39 2.17 0.00 -1.83 -3.23 103.07 103.34 3mcu h GLY 75 Ca -0.03 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.03 3mcu h GLY 75 CO 0.12 0.00 -1.42 0.00 0.00 0.00 0.00 176.54 175.23 3mcu h ALA 76 N 2.03 0.44 -0.55 3.60 0.00 -1.16 -3.38 119.26 120.25 3mcu h ALA 76 Ca 0.00 -1.15 0.11 0.00 0.00 0.00 0.00 54.91 53.87 3mcu h ALA 76 Cb 0.71 0.21 -0.09 0.00 0.00 0.00 0.00 17.79 18.62 3mcu h ALA 76 CO 0.00 1.30 0.02 0.93 0.00 0.00 0.00 179.25 181.50 3mcu h GLU 77 N 0.03 0.13 0.00 0.00 5.08 -1.47 -1.60 114.58 116.75 3mcu h GLU 77 Ca -0.18 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 3mcu h GLU 77 Cb 1.94 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 31.16 3mcu h GLU 77 CO 0.13 0.09 0.34 -1.35 -1.00 0.00 0.00 179.01 177.21 3mcu h PRO 78 N 0.13 0.00 0.00 2.33 0.11 -1.75 -0.83 132.00 132.00 3mcu h PRO 78 Ca 0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.39 3mcu h PRO 78 Cb 0.43 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.54 3mcu h PRO 78 CO -0.45 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 178.62 3mcu n LEU 79 N -2.86 0.59 -0.00 2.35 4.32 -0.60 -1.29 117.00 119.50 3mcu n LEU 79 Ca -0.02 0.74 -0.00 0.00 -0.02 0.00 0.00 56.01 56.71 3mcu n LEU 79 Cb 0.38 -0.78 -0.00 0.00 -1.62 0.00 0.00 43.42 41.40 3mcu n LEU 79 CO 0.13 -0.87 -0.01 1.23 -1.22 0.00 0.00 177.39 176.65 3mcu h GLY 80 N 0.51 0.00 1.78 -0.72 0.00 -1.32 -3.28 103.07 100.04 3mcu h GLY 80 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.09 3mcu h GLY 80 CO 0.00 0.00 -1.12 -0.56 0.00 0.00 0.00 176.54 174.86 3mcu h PRO 81 N -0.06 0.17 0.00 4.80 0.13 -1.71 -3.41 132.00 131.92 3mcu h PRO 81 Ca 0.00 -0.28 -0.32 0.00 -0.87 0.00 0.00 66.00 64.54 3mcu h PRO 81 Cb 0.02 0.10 -0.05 0.00 0.13 0.00 0.00 31.00 31.20 3mcu h PRO 81 CO 0.00 1.12 -2.07 1.63 -0.23 0.00 0.00 178.00 178.45 3mcu n LYS 82 N -3.48 0.42 -3.11 0.86 5.02 -0.42 -4.84 118.16 112.62 3mcu n LYS 82 Ca -0.05 0.17 -0.24 0.00 -2.02 0.00 0.00 58.31 56.17 3mcu n LYS 82 Cb 0.97 -1.22 -0.05 0.00 -0.02 0.00 0.00 35.03 34.72 3mcu n LYS 82 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 3mcu n ILE 83 N -3.71 1.68 -2.03 -0.18 -5.35 -0.44 -5.04 119.36 104.29 3mcu n ILE 83 Ca -0.37 -5.10 -0.37 0.00 -0.27 0.00 0.00 62.75 56.64 3mcu n ILE 83 Cb 0.78 -1.23 0.02 0.00 -1.74 0.00 0.00 39.64 37.47 3mcu n ILE 83 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 3mcu s PRO 84 N -2.81 3.32 0.57 6.28 0.04 -1.23 -4.55 135.00 136.63 3mcu s PRO 84 Ca 0.44 1.94 -0.01 0.00 0.04 0.00 0.00 61.00 63.40 3mcu s PRO 84 Cb 0.27 -2.21 0.03 0.00 0.04 0.00 0.00 34.50 32.63 3mcu s PRO 84 CO -0.10 -0.95 0.83 -0.51 0.04 0.00 0.00 177.00 176.30 3mcu s LEU 85 N -3.50 3.22 0.11 -3.56 1.43 -1.26 -5.02 118.68 110.09 3mcu s LEU 85 Ca 0.70 0.21 0.13 0.00 -1.03 0.00 0.00 54.13 54.15 3mcu s LEU 85 Cb -0.33 -3.03 -0.12 0.00 0.03 0.00 0.00 46.19 42.74 3mcu s LEU 85 CO 0.38 -1.17 1.05 0.44 0.23 0.00 0.00 176.35 177.28 3mcu h ASP 86 N -0.06 0.00 0.00 2.29 3.32 -1.27 -3.49 116.42 117.21 3mcu h ASP 86 Ca -0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 3mcu h ASP 86 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 3mcu h ASP 86 CO 0.56 0.74 0.00 0.00 -1.72 0.00 0.00 179.24 178.81 3mcu s VAL 89 N -1.84 0.00 -0.18 0.00 1.01 0.14 -1.21 120.40 118.31 3mcu s VAL 89 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 61.98 61.99 3mcu s VAL 89 Cb 0.00 -1.00 0.04 0.00 0.00 0.00 0.00 36.38 35.42 3mcu s VAL 89 CO 0.00 0.00 -0.11 -0.63 0.00 0.00 0.00 175.10 174.36 3mcu s ILE 90 N 0.29 1.54 -0.29 2.22 1.01 0.52 0.28 121.20 126.77 3mcu s ILE 90 Ca 0.02 -0.85 -0.09 0.00 0.00 0.00 0.00 60.65 59.73 3mcu s ILE 90 Cb -0.05 -1.59 0.13 0.00 0.01 0.00 0.00 42.46 40.96 3mcu s ILE 90 CO -0.06 0.24 0.63 0.00 0.00 0.00 0.00 174.94 175.76 3mcu s ALA 91 N 1.46 -2.01 0.63 9.38 0.00 -0.23 -1.17 121.76 129.81 3mcu s ALA 91 Ca 0.01 2.27 -0.11 0.00 0.00 0.00 0.00 51.96 54.13 3mcu s ALA 91 Cb -0.15 -1.78 -0.03 0.00 0.00 0.00 0.00 23.12 21.16 3mcu s ALA 91 CO -0.09 -0.94 1.04 -2.14 0.00 0.00 0.00 175.76 173.63 3mcu s PRO 92 N 2.88 3.48 -0.38 0.00 0.02 -1.26 -4.51 135.00 135.23 3mcu s PRO 92 Ca -0.04 0.78 -0.08 0.00 0.02 0.00 0.00 61.00 61.68 3mcu s PRO 92 Cb -0.12 -2.06 0.06 0.00 0.02 0.00 0.00 34.50 32.40 3mcu s PRO 92 CO -0.19 -0.66 0.19 -1.17 -0.33 0.00 0.00 177.00 174.84 3mcu s LEU 93 N -5.24 4.82 0.99 -5.54 0.20 -0.09 -2.96 118.68 110.85 3mcu s LEU 93 Ca 0.56 -1.39 -0.12 0.00 0.69 0.00 0.00 54.13 53.87 3mcu s LEU 93 Cb -0.12 -1.93 0.18 0.00 -0.43 0.00 0.00 46.19 43.90 3mcu s LEU 93 CO 0.54 -0.45 1.08 0.42 -0.29 0.00 0.00 176.35 177.65 3mcu s THR 94 N 1.39 2.30 0.29 3.68 -4.23 -1.26 -1.54 115.64 116.27 3mcu s THR 94 Ca 0.02 0.10 -0.01 0.00 -1.18 0.00 0.00 61.69 60.61 3mcu s THR 94 Cb -0.21 -2.44 0.18 0.00 1.34 0.00 0.00 72.50 71.36 3mcu s THR 94 CO 0.02 -0.13 1.86 1.23 -0.54 0.00 0.00 174.62 177.06 3mcu h GLY 95 N -1.94 0.94 0.90 3.99 0.00 -1.96 -3.14 103.07 101.87 3mcu h GLY 95 Ca -0.53 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 46.30 3mcu h GLY 95 CO 0.53 0.47 -0.07 -0.57 0.00 0.00 0.00 176.54 176.90 3mcu h ASN 96 N 0.85 -0.16 0.00 0.19 -1.24 -1.94 -1.16 115.58 112.12 3mcu h ASN 96 Ca 0.20 -0.08 0.00 0.00 0.71 0.00 0.00 56.30 57.13 3mcu h ASN 96 Cb 0.21 0.04 0.00 0.00 0.73 0.00 0.00 38.32 39.30 3mcu h ASN 96 CO -0.01 -0.02 0.00 -1.20 -1.29 0.00 0.00 177.43 174.90 3mcu n SER 97 N -5.13 1.41 0.00 1.15 7.64 -1.19 -1.69 113.62 115.83 3mcu n SER 97 Ca -0.09 -0.98 0.00 0.00 1.01 0.00 0.00 58.87 58.82 3mcu n SER 97 Cb 0.14 -0.26 0.00 0.00 -1.01 0.00 0.00 64.21 63.08 3mcu n SER 97 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 3mcu n SER 99 N 1.04 0.00 -0.37 6.43 2.88 -0.44 -0.59 113.62 122.57 3mcu n SER 99 Ca 0.00 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.55 3mcu n SER 99 Cb 0.20 0.00 0.15 0.00 -0.75 0.00 0.00 64.21 63.81 3mcu n SER 99 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 3mcu h LYS 100 N 0.00 1.21 -0.13 -1.46 1.57 -1.59 -2.23 116.57 113.95 3mcu h LYS 100 Ca 0.00 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3mcu h LYS 100 Cb 0.00 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.03 3mcu h LYS 100 CO 0.00 0.80 0.07 0.35 -0.57 0.00 0.00 179.45 180.10 3mcu h PHE 101 N 1.25 0.17 0.00 -1.35 3.57 -1.11 -0.63 116.94 118.84 3mcu h PHE 101 Ca 0.41 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.89 3mcu h PHE 101 Cb 0.04 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 38.72 3mcu h PHE 101 CO -0.00 0.17 -0.09 0.00 -2.23 0.00 0.00 178.31 176.16 3mcu h ALA 102 N 0.99 1.41 -0.18 2.41 0.00 -1.76 -2.47 119.26 119.66 3mcu h ALA 102 Ca 0.04 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3mcu h ALA 102 Cb 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3mcu h ALA 102 CO -0.01 0.11 0.00 0.09 0.00 0.00 0.00 179.25 179.44 3mcu n ASN 103 N -3.79 2.96 -1.79 0.00 4.13 -0.85 -5.00 115.26 110.92 3mcu n ASN 103 Ca -0.02 -1.93 -0.00 0.00 1.68 0.00 0.00 54.58 54.30 3mcu n ASN 103 Cb 0.19 -0.11 -0.00 0.00 -1.54 0.00 0.00 39.78 38.32 3mcu n ASN 103 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3mcu n ALA 104 N 1.23 -3.14 -1.47 5.41 0.00 -0.30 -5.05 120.51 117.19 3mcu n ALA 104 Ca 0.17 0.27 -0.01 0.00 0.00 0.00 0.00 53.44 53.87 3mcu n ALA 104 Cb 0.56 -0.53 -0.01 0.00 0.00 0.00 0.00 19.45 19.47 3mcu n ALA 104 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3mcu n THR 106 N 0.25 0.00 0.57 0.00 -2.24 -1.26 -5.04 114.28 106.56 3mcu n THR 106 Ca -0.03 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.71 3mcu n THR 106 Cb 0.05 0.05 0.04 0.00 -2.10 0.00 0.00 70.33 68.37 3mcu n THR 106 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3mcu n ASP 107 N 0.00 2.99 -3.68 3.42 5.68 -1.26 -4.75 116.55 118.95 3mcu n ASP 107 Ca -0.03 -2.30 -0.13 0.00 -0.50 0.00 0.00 54.79 51.83 3mcu n ASP 107 Cb 0.26 -0.56 -0.07 0.00 -1.14 0.00 0.00 41.12 39.61 3mcu n ASP 107 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3mcu s SER 108 N 0.46 -0.27 0.26 -1.12 1.04 -1.26 -5.06 113.70 107.76 3mcu s SER 108 Ca 0.11 0.02 -0.03 0.00 0.48 0.00 0.00 55.95 56.53 3mcu s SER 108 Cb 0.09 0.41 0.40 0.00 0.10 0.00 0.00 66.02 67.02 3mcu s SER 108 CO 0.02 -0.63 1.88 -0.65 0.98 0.00 0.00 173.24 174.84 3mcu h PRO 109 N 3.13 1.14 -0.57 4.02 0.11 -1.83 -2.37 132.00 135.63 3mcu h PRO 109 Ca -0.31 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 65.71 3mcu h PRO 109 Cb 1.20 -0.26 -0.03 0.00 0.11 0.00 0.00 31.00 32.03 3mcu h PRO 109 CO 0.43 0.75 0.29 0.28 -0.21 0.00 0.00 178.00 179.54 3mcu h VAL 110 N 1.17 1.20 0.00 3.15 2.07 -1.87 0.31 116.25 122.28 3mcu h VAL 110 Ca 0.43 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 67.40 3mcu h VAL 110 Cb 0.16 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 3mcu h VAL 110 CO -0.17 0.23 0.00 0.18 0.02 0.00 0.00 177.57 177.82 3mcu n LEU 111 N -4.56 1.39 0.00 2.57 4.77 -0.89 -1.72 117.00 118.56 3mcu n LEU 111 Ca 0.03 -0.69 0.00 0.00 -0.03 0.00 0.00 56.01 55.32 3mcu n LEU 111 Cb 0.11 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 3mcu n LEU 111 CO 0.37 0.24 0.00 0.00 -1.33 0.00 0.00 177.39 176.68 3mcu n ALA 113 N 0.60 0.00 -0.01 -1.18 0.00 0.10 -1.41 120.51 118.60 3mcu n ALA 113 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 3mcu n ALA 113 Cb 0.24 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.76 3mcu n ALA 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mcu h ALA 114 N 0.00 0.73 -0.44 0.00 0.00 -1.59 -1.73 119.26 116.24 3mcu h ALA 114 Ca 0.00 -0.48 -0.06 0.00 0.00 0.00 0.00 54.91 54.37 3mcu h ALA 114 Cb 0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3mcu h ALA 114 CO 0.00 0.67 0.06 -0.22 0.00 0.00 0.00 179.25 179.76 3mcu h LYS 115 N 0.48 0.74 0.00 0.00 3.64 -1.51 -0.91 116.57 119.01 3mcu h LYS 115 Ca 0.03 -0.20 -0.01 0.00 -1.27 0.00 0.00 60.65 59.19 3mcu h LYS 115 Cb 1.02 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.75 3mcu h LYS 115 CO 0.09 0.77 -0.05 0.00 -2.27 0.00 0.00 179.45 178.00 3mcu h ALA 116 N 0.94 1.15 0.14 5.00 0.00 -1.78 0.27 119.26 124.97 3mcu h ALA 116 Ca 0.13 -0.05 -0.24 0.00 0.00 0.00 0.00 54.91 54.76 3mcu h ALA 116 Cb 0.40 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.19 3mcu h ALA 116 CO 0.01 0.06 -1.13 1.15 0.00 0.00 0.00 179.25 179.34 3mcu h THR 117 N 0.00 1.28 -0.12 0.00 2.02 -0.88 -3.26 112.91 111.95 3mcu h THR 117 Ca -0.00 -2.49 -0.02 0.00 0.77 0.00 0.00 66.41 64.67 3mcu h THR 117 Cb 0.25 2.97 -0.01 0.00 -1.74 0.00 0.00 68.15 69.63 3mcu h THR 117 CO 0.01 0.72 -0.02 -0.07 0.37 0.00 0.00 175.52 176.52 3mcu h LEU 118 N -0.31 0.16 -0.94 2.58 3.38 -0.90 -1.95 115.31 117.32 3mcu h LEU 118 Ca -0.22 -0.02 0.29 0.00 0.09 0.00 0.00 57.88 58.02 3mcu h LEU 118 Cb 1.73 -0.04 -0.16 0.00 0.09 0.00 0.00 40.66 42.28 3mcu h LEU 118 CO 0.12 0.21 0.25 -0.09 0.09 0.00 0.00 178.44 179.02 3mcu h ARG 119 N 0.18 0.11 -0.69 1.13 2.43 -0.51 -0.71 114.38 116.32 3mcu h ARG 119 Ca 0.04 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3mcu h ARG 119 Cb 0.16 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 3mcu h ARG 119 CO 0.00 0.08 0.00 0.09 -1.51 0.00 0.00 179.97 178.63 3mcu n ASN 120 N -5.30 3.75 -0.86 -3.80 3.02 -0.77 -4.91 115.26 106.38 3mcu n ASN 120 Ca 0.26 -2.02 -0.09 0.00 -0.03 0.00 0.00 54.58 52.69 3mcu n ASN 120 Cb 0.84 -0.47 -0.03 0.00 -0.61 0.00 0.00 39.78 39.52 3mcu n ASN 120 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3mcu n GLY 121 N 1.57 0.63 3.94 7.41 0.00 -0.27 -5.02 105.19 113.46 3mcu n GLY 121 Ca 0.23 -0.56 -0.24 0.00 0.00 0.00 0.00 46.02 45.45 3mcu n GLY 121 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mcu s LYS 122 N -3.49 3.49 0.30 1.61 -0.14 -0.97 -4.96 119.74 115.58 3mcu s LYS 122 Ca 0.00 -0.46 -0.28 0.00 -1.36 0.00 0.00 55.97 53.88 3mcu s LYS 122 Cb 0.00 -2.80 -0.09 0.00 -1.68 0.00 0.00 37.83 33.26 3mcu s LYS 122 CO 0.00 0.33 1.02 -1.25 -0.76 0.00 0.00 175.35 174.69 3mcu s PRO 123 N -3.82 4.59 -0.11 -1.68 0.04 -1.26 -4.18 135.00 128.59 3mcu s PRO 123 Ca 0.38 1.57 0.03 0.00 0.04 0.00 0.00 61.00 63.02 3mcu s PRO 123 Cb -0.10 -3.00 0.00 0.00 0.04 0.00 0.00 34.50 31.44 3mcu s PRO 123 CO 0.31 0.23 -0.22 0.08 0.04 0.00 0.00 177.00 177.44 3mcu s VAL 124 N -1.36 1.95 -0.13 -0.36 1.01 -0.39 -4.37 120.40 116.76 3mcu s VAL 124 Ca 0.47 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.52 3mcu s VAL 124 Cb -0.26 -1.70 -0.01 0.00 0.00 0.00 0.00 36.38 34.41 3mcu s VAL 124 CO 0.33 0.53 -0.16 -0.69 0.00 0.00 0.00 175.10 175.11 3mcu s VAL 125 N 0.50 2.74 -0.08 2.92 1.01 -1.26 -0.66 120.40 125.57 3mcu s VAL 125 Ca -0.16 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.09 3mcu s VAL 125 Cb -0.17 -2.13 -0.02 0.00 0.00 0.00 0.00 36.38 34.06 3mcu s VAL 125 CO 0.06 0.53 -0.18 -0.76 0.00 0.00 0.00 175.10 174.75 3mcu s LEU 126 N 0.44 2.50 -0.39 3.92 1.43 -0.15 -0.36 118.68 126.07 3mcu s LEU 126 Ca -0.12 -0.34 -0.02 0.00 -1.03 0.00 0.00 54.13 52.62 3mcu s LEU 126 Cb -0.16 -1.51 0.10 0.00 0.03 0.00 0.00 46.19 44.65 3mcu s LEU 126 CO 0.05 0.26 0.17 0.00 0.23 0.00 0.00 176.35 177.06 3mcu s ALA 127 N -0.22 3.10 0.51 4.21 0.00 -0.32 -1.28 121.76 127.76 3mcu s ALA 127 Ca -0.00 -2.46 -0.20 0.00 0.00 0.00 0.00 51.96 49.29 3mcu s ALA 127 Cb -0.13 -2.33 -0.07 0.00 0.00 0.00 0.00 23.12 20.58 3mcu s ALA 127 CO 0.03 -1.74 1.07 0.54 0.00 0.00 0.00 175.76 175.66 3mcu s VAL 128 N 1.13 3.54 -0.44 0.00 0.11 -1.26 -0.91 120.40 122.57 3mcu s VAL 128 Ca 0.07 0.95 0.07 0.00 -2.93 0.00 0.00 61.98 60.14 3mcu s VAL 128 Cb -0.22 -3.38 0.18 0.00 -1.53 0.00 0.00 36.38 31.42 3mcu s VAL 128 CO -0.04 -0.21 0.60 -0.55 -3.33 0.00 0.00 175.10 171.57 3mcu s SER 129 N -1.92 -0.89 -0.14 3.54 0.15 -0.59 -1.37 113.70 112.49 3mcu s SER 129 Ca 0.69 -1.37 -0.11 0.00 0.70 0.00 0.00 55.95 55.87 3mcu s SER 129 Cb -0.19 1.57 0.04 0.00 -1.71 0.00 0.00 66.02 65.73 3mcu s SER 129 CO 0.23 -0.14 0.35 0.28 1.20 0.00 0.00 173.24 175.16 3mcu s THR 130 N 1.35 -0.01 -2.00 6.45 -1.32 -1.26 -3.84 115.64 115.01 3mcu s THR 130 Ca 0.22 0.02 0.05 0.00 -1.21 0.00 0.00 61.69 60.77 3mcu s THR 130 Cb -0.04 -0.50 0.15 0.00 -1.51 0.00 0.00 72.50 70.59 3mcu s THR 130 CO -0.06 0.01 1.14 -0.46 -2.21 0.00 0.00 174.62 173.03 3mcu n ASN 131 N 3.19 0.00 -0.10 8.08 0.23 -1.26 -3.19 115.26 122.20 3mcu n ASN 131 Ca -0.15 -1.70 0.03 0.00 -0.53 0.00 0.00 54.58 52.23 3mcu n ASN 131 Cb 0.57 0.00 0.05 0.00 -2.08 0.00 0.00 39.78 38.32 3mcu n ASN 131 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 3mcu n ASP 132 N -0.59 1.52 -0.19 0.53 5.75 -1.23 -3.53 116.55 118.80 3mcu n ASP 132 Ca 0.04 -2.22 0.17 0.00 -0.01 0.00 0.00 54.79 52.77 3mcu n ASP 132 Cb 0.02 -0.18 0.51 0.00 -1.03 0.00 0.00 41.12 40.44 3mcu n ASP 132 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3mcu h ALA 133 N 0.00 2.16 -0.57 2.12 0.00 -1.22 0.23 119.26 121.98 3mcu h ALA 133 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3mcu h ALA 133 Cb 0.88 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3mcu h ALA 133 CO 0.00 -0.39 0.00 1.28 0.00 0.00 0.00 179.25 180.14 3mcu n LEU 134 N -4.48 3.91 0.00 0.00 4.77 -0.53 -1.67 117.00 119.00 3mcu n LEU 134 Ca 0.16 -2.20 0.00 0.00 -0.03 0.00 0.00 56.01 53.94 3mcu n LEU 134 Cb 0.59 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 3mcu n LEU 134 CO 0.32 0.85 0.00 0.61 -1.33 0.00 0.00 177.39 177.84 3mcu n GLY 135 N 1.04 1.40 0.31 -0.72 0.00 0.76 -4.86 105.19 103.12 3mcu n GLY 135 Ca 0.21 -0.33 0.15 0.00 0.00 0.00 0.00 46.02 46.05 3mcu n GLY 135 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3mcu h LEU 136 N 0.00 0.00 -0.13 0.99 3.38 -1.89 -2.39 115.31 115.27 3mcu h LEU 136 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3mcu h LEU 136 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3mcu h LEU 136 CO 0.00 0.00 -0.22 -3.20 0.09 0.00 0.00 178.44 175.11 3mcu n ASN 137 N -3.97 0.43 -0.17 -0.43 2.85 -0.88 -3.97 115.26 109.12 3mcu n ASN 137 Ca -0.01 -0.26 -0.02 0.00 -0.11 0.00 0.00 54.58 54.18 3mcu n ASN 137 Cb 0.19 -0.05 0.07 0.00 1.24 0.00 0.00 39.78 41.23 3mcu n ASN 137 CO 0.00 0.00 0.00 1.23 -2.11 0.00 0.00 177.26 176.38 3mcu h GLY 138 N 4.98 0.70 0.56 8.20 0.00 -0.77 -1.67 103.07 115.07 3mcu h GLY 138 Ca 0.00 -0.10 0.08 0.00 0.00 0.00 0.00 47.33 47.31 3mcu h GLY 138 CO 0.00 0.00 0.36 -2.08 0.00 0.00 0.00 176.54 174.82 3mcu h VAL 139 N 0.37 0.90 -0.10 4.60 2.07 -1.79 -2.99 116.25 119.30 3mcu h VAL 139 Ca 0.25 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.55 3mcu h VAL 139 Cb 0.28 0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 30.26 3mcu h VAL 139 CO -0.26 0.11 0.04 0.78 0.02 0.00 0.00 177.57 178.26 3mcu h ASN 140 N 0.63 0.15 0.00 0.57 2.35 -1.60 -0.78 115.58 116.90 3mcu h ASN 140 Ca 0.32 -0.19 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 3mcu h ASN 140 Cb 0.29 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.62 3mcu h ASN 140 CO -0.23 0.30 0.00 -0.11 -1.65 0.00 0.00 177.43 175.74 3mcu n LEU 141 N -4.90 0.00 0.00 1.61 0.00 -0.70 -1.52 117.00 111.49 3mcu n LEU 141 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.95 3mcu n LEU 141 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.55 3mcu n LEU 141 CO 0.34 0.00 0.00 -1.14 0.00 0.00 0.00 177.39 176.59 3mcu n ARG 143 N 0.37 0.00 -0.06 1.96 0.63 -0.30 -4.70 116.66 114.56 3mcu n ARG 143 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3mcu n ARG 143 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 3mcu n ARG 143 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 3mcu n LEU 144 N 0.00 0.73 0.00 6.15 4.77 -0.58 -2.66 117.00 125.41 3mcu n LEU 144 Ca 0.00 -0.33 0.00 0.00 -0.03 0.00 0.00 56.01 55.65 3mcu n LEU 144 Cb 0.00 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 3mcu n LEU 144 CO 0.00 0.13 0.00 0.00 -1.33 0.00 0.00 177.39 176.19 3mcu n ALA 146 N 1.63 0.00 -2.08 -1.18 0.00 -1.26 -4.74 120.51 112.87 3mcu n ALA 146 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 3mcu n ALA 146 Cb 0.08 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.47 3mcu n ALA 146 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3mcu s THR 147 N 0.00 4.56 0.26 0.00 2.01 -1.09 -5.01 115.64 116.38 3mcu s THR 147 Ca 0.00 1.26 -0.31 0.00 0.31 0.00 0.00 61.69 62.95 3mcu s THR 147 Cb 0.00 -3.82 -0.13 0.00 0.01 0.00 0.00 72.50 68.56 3mcu s THR 147 CO 0.00 0.13 1.48 0.29 -0.69 0.00 0.00 174.62 175.83 3mcu n LYS 148 N 0.51 2.30 -1.16 4.92 5.02 -1.26 -2.98 118.16 125.51 3mcu n LYS 148 Ca -0.01 0.82 -0.06 0.00 -2.02 0.00 0.00 58.31 57.04 3mcu n LYS 148 Cb 0.51 -2.53 -0.02 0.00 -0.02 0.00 0.00 35.03 32.97 3mcu n LYS 148 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3mcu n ASN 149 N 2.17 -4.23 -4.31 4.39 3.02 -1.26 -5.01 115.26 110.03 3mcu n ASN 149 Ca 0.10 0.14 -0.32 0.00 -0.03 0.00 0.00 54.58 54.47 3mcu n ASN 149 Cb 0.34 -2.23 -0.16 0.00 -0.61 0.00 0.00 39.78 37.12 3mcu n ASN 149 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3mcu s ILE 150 N -2.02 2.36 0.07 2.41 1.01 -1.16 -1.26 121.20 122.61 3mcu s ILE 150 Ca 0.00 -0.95 0.03 0.00 0.00 0.00 0.00 60.65 59.73 3mcu s ILE 150 Cb 0.00 -1.90 -0.03 0.00 0.01 0.00 0.00 42.46 40.54 3mcu s ILE 150 CO 0.00 0.56 -0.09 -0.31 0.00 0.00 0.00 174.94 175.10 3mcu s TYR 151 N -0.10 0.90 -0.07 3.97 2.02 0.16 -4.83 117.35 119.40 3mcu s TYR 151 Ca -0.05 -0.58 0.05 0.00 -0.37 0.00 0.00 57.07 56.13 3mcu s TYR 151 Cb -0.14 -0.51 -0.01 0.00 -0.40 0.00 0.00 41.96 40.90 3mcu s TYR 151 CO 0.04 -0.04 -0.25 -0.06 -1.57 0.00 0.00 175.55 173.67 3mcu s PHE 152 N -1.88 2.46 0.20 2.71 0.40 -1.26 -0.98 117.98 119.63 3mcu s PHE 152 Ca -0.02 -0.82 -0.30 0.00 -0.60 0.00 0.00 56.93 55.19 3mcu s PHE 152 Cb -0.06 -1.62 -0.09 0.00 0.51 0.00 0.00 43.02 41.75 3mcu s PHE 152 CO 0.00 -0.28 1.36 0.14 0.70 0.00 0.00 175.22 177.14 3mcu s VAL 153 N -0.01 3.09 0.17 -0.44 -7.23 -0.41 -4.76 120.40 110.81 3mcu s VAL 153 Ca -0.08 0.88 -0.32 0.00 -1.81 0.00 0.00 61.98 60.65 3mcu s VAL 153 Cb -0.15 -3.56 -0.17 0.00 0.56 0.00 0.00 36.38 33.06 3mcu s VAL 153 CO 0.05 0.12 0.90 -2.65 -0.31 0.00 0.00 175.10 173.21 3mcu n PRO 154 N 2.81 0.59 -4.06 4.82 -0.02 -1.26 -4.69 135.00 133.18 3mcu n PRO 154 Ca 0.07 0.21 -0.10 0.00 -2.02 0.00 0.00 63.50 61.66 3mcu n PRO 154 Cb 0.42 -1.51 -0.08 0.00 -0.02 0.00 0.00 33.50 32.30 3mcu n PRO 154 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 3mcu s PHE 155 N -0.57 0.66 0.00 6.00 -0.12 -0.68 -0.80 117.98 122.47 3mcu s PHE 155 Ca 0.71 -1.02 0.00 0.00 -0.05 0.00 0.00 56.93 56.57 3mcu s PHE 155 Cb -0.93 -0.27 0.00 0.00 -0.63 0.00 0.00 43.02 41.19 3mcu s PHE 155 CO 0.56 -0.64 0.00 0.41 -0.05 0.00 0.00 175.22 175.50 3mcu n GLY 156 N -0.17 1.01 3.72 1.99 0.00 -1.07 -1.21 105.19 109.47 3mcu n GLY 156 Ca -0.05 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.73 3mcu n GLY 156 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3mcu s GLN 157 N -1.29 4.33 0.01 1.61 -0.21 -1.26 -1.18 119.66 121.68 3mcu s GLN 157 Ca 0.00 2.10 0.23 0.00 0.02 0.00 0.00 55.36 57.71 3mcu s GLN 157 Cb 0.00 -3.22 0.04 0.00 1.00 0.00 0.00 33.01 30.83 3mcu s GLN 157 CO 0.00 -0.39 1.05 -0.40 -2.12 0.00 0.00 175.29 173.43 3mcu n ASP 158 N 3.42 0.71 -2.71 5.90 3.85 -1.22 -1.50 116.55 124.99 3mcu n ASP 158 Ca 0.10 -0.54 -0.05 0.00 -0.71 0.00 0.00 54.79 53.58 3mcu n ASP 158 Cb 0.42 0.79 0.05 0.00 -1.35 0.00 0.00 41.12 41.03 3mcu n ASP 158 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3mcu n ALA 159 N -1.63 -2.56 -0.19 2.12 0.00 -1.26 -4.58 120.51 112.41 3mcu n ALA 159 Ca 0.03 -0.75 0.24 0.00 0.00 0.00 0.00 53.44 52.97 3mcu n ALA 159 Cb 0.37 -2.27 0.64 0.00 0.00 0.00 0.00 19.45 18.19 3mcu n ALA 159 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3mcu h PRO 160 N 3.97 0.15 0.01 0.00 0.11 -1.85 0.20 132.00 134.58 3mcu h PRO 160 Ca -0.11 -0.01 -0.38 0.00 0.11 0.00 0.00 66.00 65.61 3mcu h PRO 160 Cb 1.12 -0.03 -0.07 0.00 0.11 0.00 0.00 31.00 32.13 3mcu h PRO 160 CO 0.04 0.10 -2.42 0.39 -0.21 0.00 0.00 178.00 175.89 3mcu n GLU 161 N -4.37 0.66 0.14 1.05 -0.58 -1.26 -3.72 120.64 112.56 3mcu n GLU 161 Ca 0.18 0.13 0.03 0.00 -0.42 0.00 0.00 57.16 57.08 3mcu n GLU 161 Cb 0.83 -1.54 0.03 0.00 -0.57 0.00 0.00 31.44 30.19 3mcu n GLU 161 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 3mcu h LYS 162 N 0.00 0.00 -1.43 3.49 1.57 -1.95 -3.40 116.57 114.86 3mcu h LYS 162 Ca -0.56 0.00 -0.41 0.00 -1.87 0.00 0.00 60.65 57.81 3mcu h LYS 162 Cb 1.98 0.00 -0.28 0.00 0.08 0.00 0.00 32.23 34.00 3mcu h LYS 162 CO -0.05 0.42 -0.81 1.63 -0.57 0.00 0.00 179.45 180.07 3mcu n LYS 163 N -3.17 0.55 0.27 3.15 5.02 0.68 -5.03 118.16 119.63 3mcu n LYS 163 Ca 0.01 -2.62 0.11 0.00 -2.02 0.00 0.00 58.31 53.79 3mcu n LYS 163 Cb 0.72 -1.44 0.75 0.00 -0.02 0.00 0.00 35.03 35.03 3mcu n LYS 163 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 3mcu h PRO 164 N 4.63 0.00 -0.25 1.97 0.11 -1.65 -1.31 132.00 135.50 3mcu h PRO 164 Ca 0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.18 3mcu h PRO 164 Cb 0.97 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.08 3mcu h PRO 164 CO 0.31 0.03 0.00 0.09 -0.21 0.00 0.00 178.00 178.22 3mcu n ASN 165 N -4.16 3.04 -4.37 -2.05 3.02 -1.26 -4.90 115.26 104.59 3mcu n ASN 165 Ca -0.03 -1.94 -0.28 0.00 -0.03 0.00 0.00 54.58 52.30 3mcu n ASN 165 Cb 0.11 -0.16 0.15 0.00 -0.61 0.00 0.00 39.78 39.28 3mcu n ASN 165 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3mcu s SER 166 N -1.65 3.61 0.00 6.41 0.15 -0.49 -1.45 113.70 120.28 3mcu s SER 166 Ca 0.35 0.19 0.00 0.00 0.70 0.00 0.00 55.95 57.19 3mcu s SER 166 Cb 0.21 -0.38 0.00 0.00 -1.71 0.00 0.00 66.02 64.14 3mcu s SER 166 CO 0.31 -2.40 0.00 0.52 1.20 0.00 0.00 173.24 172.87 3mcu n VAL 168 N -3.47 0.00 -2.22 4.45 0.31 -0.32 -3.44 118.33 113.63 3mcu n VAL 168 Ca 0.14 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 64.11 3mcu n VAL 168 Cb 0.60 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.53 3mcu n VAL 168 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3mcu s ALA 169 N -0.84 2.79 1.02 3.52 0.00 -0.47 -2.59 121.76 125.20 3mcu s ALA 169 Ca 0.00 0.90 -0.17 0.00 0.00 0.00 0.00 51.96 52.69 3mcu s ALA 169 Cb 0.00 -3.38 0.22 0.00 0.00 0.00 0.00 23.12 19.96 3mcu s ALA 169 CO 0.00 -0.78 1.27 1.03 0.00 0.00 0.00 175.76 177.28 3mcu s ARG 170 N -3.06 0.19 0.00 0.00 0.52 0.02 -4.95 118.95 111.67 3mcu s ARG 170 Ca 0.70 -0.33 0.00 0.00 -0.52 0.00 0.00 55.73 55.58 3mcu s ARG 170 Cb -0.27 -1.79 0.00 0.00 0.52 0.00 0.00 34.95 33.42 3mcu s ARG 170 CO 0.31 -2.73 0.00 0.39 0.02 0.00 0.00 175.30 173.29 3mcu n GLU 172 N -4.01 0.00 -0.16 3.54 1.02 -1.26 -4.08 120.64 115.70 3mcu n GLU 172 Ca 0.15 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.40 3mcu n GLU 172 Cb 0.59 -0.82 0.25 0.00 -0.02 0.00 0.00 31.44 31.44 3mcu n GLU 172 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3mcu n LEU 173 N 0.00 3.01 -0.08 -4.62 4.77 -1.26 -4.55 117.00 114.26 3mcu n LEU 173 Ca 0.00 -1.28 -0.07 0.00 -0.03 0.00 0.00 56.01 54.63 3mcu n LEU 173 Cb 0.00 -0.21 -0.00 0.00 -2.33 0.00 0.00 43.42 40.88 3mcu n LEU 173 CO 0.00 0.64 0.87 0.25 -1.33 0.00 0.00 177.39 177.82 3mcu h LEU 174 N 3.91 -0.08 -0.55 2.23 5.85 -1.99 -0.77 115.31 123.91 3mcu h LEU 174 Ca 0.00 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.79 3mcu h LEU 174 Cb 0.86 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.97 3mcu h LEU 174 CO 0.00 -0.01 0.36 -0.33 -0.34 0.00 0.00 178.44 178.12 3mcu h GLU 175 N 0.11 0.72 0.00 1.25 3.07 -1.94 -0.31 114.58 117.48 3mcu h GLU 175 Ca 0.14 -0.05 -0.03 0.00 -0.50 0.00 0.00 59.36 58.92 3mcu h GLU 175 Cb 0.18 -0.16 -0.00 0.00 -0.84 0.00 0.00 28.75 27.92 3mcu h GLU 175 CO -0.22 0.49 -0.14 -0.44 -1.40 0.00 0.00 179.01 177.30 3mcu h ASP 176 N 0.74 0.00 -0.02 1.42 3.45 -1.80 -1.30 116.42 118.91 3mcu h ASP 176 Ca 0.20 0.00 -0.10 0.00 0.43 0.00 0.00 57.03 57.56 3mcu h ASP 176 Cb -0.07 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 38.70 3mcu h ASP 176 CO -0.04 0.14 -0.39 0.74 -1.57 0.00 0.00 179.24 178.11 3mcu h THR 177 N 0.00 1.47 -0.57 0.35 2.02 0.13 -2.71 112.91 113.61 3mcu h THR 177 Ca -0.00 -1.94 0.05 0.00 0.77 0.00 0.00 66.41 65.29 3mcu h THR 177 Cb 0.34 2.60 -0.05 0.00 -1.74 0.00 0.00 68.15 69.30 3mcu h THR 177 CO 0.02 0.55 0.30 0.58 0.37 0.00 0.00 175.52 177.33 3mcu h VAL 178 N -0.28 0.95 -0.27 3.16 2.07 -0.95 0.17 116.25 121.12 3mcu h VAL 178 Ca -0.04 -0.19 0.03 0.00 0.82 0.00 0.00 66.70 67.31 3mcu h VAL 178 Cb 1.11 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 3mcu h VAL 178 CO 0.08 0.10 0.07 -0.07 0.02 0.00 0.00 177.57 177.78 3mcu h LEU 179 N 0.56 0.06 -0.82 2.57 3.38 -1.26 -0.68 115.31 119.13 3mcu h LEU 179 Ca 0.26 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 58.19 3mcu h LEU 179 Cb 0.16 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 3mcu h LEU 179 CO -0.17 0.07 0.13 -0.33 0.09 0.00 0.00 178.44 178.22 3mcu h GLU 180 N 0.19 1.01 -0.31 1.13 4.39 -1.13 -3.07 114.58 116.79 3mcu h GLU 180 Ca 0.12 -0.24 -0.06 0.00 0.34 0.00 0.00 59.36 59.52 3mcu h GLU 180 Cb 0.10 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.60 3mcu h GLU 180 CO -0.14 0.91 -0.06 0.00 -1.16 0.00 0.00 179.01 178.57 3mcu h ALA 181 N 1.18 1.32 0.00 3.43 0.00 -0.33 0.90 119.26 125.76 3mcu h ALA 181 Ca 0.20 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3mcu h ALA 181 Cb 0.38 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 3mcu h ALA 181 CO 0.01 0.46 -0.11 -0.07 0.00 0.00 0.00 179.25 179.54 3mcu h LEU 182 N 0.48 0.00 -1.84 0.00 3.38 -1.05 -0.81 115.31 115.46 3mcu h LEU 182 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3mcu h LEU 182 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3mcu h LEU 182 CO 0.02 0.11 0.00 0.00 0.09 0.00 0.00 178.44 178.66 3mcu n GLN 183 N -3.74 2.17 -1.94 1.13 6.02 -0.35 -4.92 117.38 115.75 3mcu n GLN 183 Ca -0.02 -1.81 -0.09 0.00 -0.01 0.00 0.00 57.00 55.08 3mcu n GLN 183 Cb 0.21 -1.42 -0.01 0.00 1.02 0.00 0.00 30.24 30.04 3mcu n GLN 183 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3mcu n GLY 184 N 1.32 0.27 3.34 1.08 0.00 -0.31 -5.03 105.19 105.87 3mcu n GLY 184 Ca 0.18 -0.55 -0.29 0.00 0.00 0.00 0.00 46.02 45.36 3mcu n GLY 184 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mcu s LYS 185 N -4.01 1.58 -0.27 1.61 -0.14 0.17 -4.98 119.74 113.70 3mcu s LYS 185 Ca 0.00 -1.17 -0.24 0.00 -1.36 0.00 0.00 55.97 53.20 3mcu s LYS 185 Cb 0.00 -1.86 -0.00 0.00 -1.68 0.00 0.00 37.83 34.28 3mcu s LYS 185 CO 0.00 0.47 0.81 -1.14 -0.76 0.00 0.00 175.35 174.73 3mcu s GLN 186 N -1.53 4.09 0.16 1.68 2.00 -1.26 -2.81 119.66 121.99 3mcu s GLN 186 Ca 0.12 0.78 -0.34 0.00 -2.00 0.00 0.00 55.36 53.92 3mcu s GLN 186 Cb -0.10 -3.68 -0.15 0.00 0.80 0.00 0.00 33.01 29.88 3mcu s GLN 186 CO 0.03 -0.59 1.41 -0.11 -0.50 0.00 0.00 175.29 175.53 3mcu n LEU 187 N 6.11 2.47 -4.34 3.68 7.94 -1.26 -5.00 117.00 126.59 3mcu n LEU 187 Ca 0.05 1.12 -0.30 0.00 -1.11 0.00 0.00 56.01 55.77 3mcu n LEU 187 Cb 0.48 -1.33 -0.15 0.00 0.53 0.00 0.00 43.42 42.95 3mcu n LEU 187 CO 0.49 -0.70 -0.57 -1.10 -1.11 0.00 0.00 177.39 174.40 3mcu s GLN 188 N 0.26 1.74 0.34 1.96 -1.52 -1.26 -3.85 119.66 117.33 3mcu s GLN 188 Ca 0.77 -1.11 -0.25 0.00 -1.95 0.00 0.00 55.36 52.81 3mcu s GLN 188 Cb -0.77 -1.93 -0.10 0.00 -0.22 0.00 0.00 33.01 29.99 3mcu s GLN 188 CO 0.45 0.50 0.94 -1.25 -0.25 0.00 0.00 175.29 175.68 3mcu s PRO 189 N -1.29 4.53 0.12 2.91 0.04 -1.26 -5.12 135.00 134.93 3mcu s PRO 189 Ca 0.12 1.29 0.22 0.00 0.04 0.00 0.00 61.00 62.67 3mcu s PRO 189 Cb -0.10 -2.72 -0.11 0.00 0.04 0.00 0.00 34.50 31.62 3mcu s PRO 189 CO 0.02 0.24 0.86 1.55 0.04 0.00 0.00 177.00 179.71 3mcu n VAL 190 N 0.40 0.40 -3.70 -0.36 3.14 -1.25 -4.68 118.33 112.27 3mcu n VAL 190 Ca 0.03 -0.52 -0.39 0.00 -2.96 0.00 0.00 64.34 60.50 3mcu n VAL 190 Cb 0.51 -0.21 -0.12 0.00 -1.06 0.00 0.00 33.84 32.96 3mcu n VAL 190 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 3mcu s VAL 191 N -3.41 4.06 0.26 1.55 1.01 -1.26 -1.68 120.40 120.93 3mcu s VAL 191 Ca -0.03 -0.99 0.07 0.00 0.00 0.00 0.00 61.98 61.03 3mcu s VAL 191 Cb 0.11 -3.27 -0.05 0.00 0.00 0.00 0.00 36.38 33.17 3mcu s VAL 191 CO 0.83 -0.17 -0.08 0.68 0.00 0.00 0.00 175.10 176.36 3mcu s VAL 192 N 1.46 1.70 -1.28 2.92 -7.23 -0.35 -4.96 120.40 112.67 3mcu s VAL 192 Ca 0.00 -2.16 -0.14 0.00 -1.81 0.00 0.00 61.98 57.88 3mcu s VAL 192 Cb -0.19 -2.35 0.13 0.00 0.56 0.00 0.00 36.38 34.53 3mcu s VAL 192 CO 0.04 -0.37 1.70 -0.62 -0.31 0.00 0.00 175.10 175.54 3mcu n GLU 193 N -0.54 3.33 -0.40 4.82 1.02 -1.26 -3.58 120.64 124.03 3mcu n GLU 193 Ca -0.06 -3.49 0.33 0.00 -0.02 0.00 0.00 57.16 53.91 3mcu n GLU 193 Cb 0.63 -3.15 0.63 0.00 -0.02 0.00 0.00 31.44 29.52 3mcu n GLU 193 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 3mcu h LYS 194 N 6.78 0.17 0.00 3.49 1.63 -1.82 -1.06 116.57 125.76 3mcu h LYS 194 Ca 0.40 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.19 3mcu h LYS 194 Cb 0.79 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.38 3mcu h LYS 194 CO 1.46 0.11 0.00 1.97 -3.45 0.00 0.00 179.45 179.54 3mcu n PHE 195 N -4.55 0.26 0.63 1.91 1.16 -0.56 -1.84 117.46 114.46 3mcu n PHE 195 Ca 0.32 0.10 0.10 0.00 -1.87 0.00 0.00 57.45 56.09 3mcu n PHE 195 Cb 1.25 -0.66 0.27 0.00 -1.61 0.00 0.00 39.48 38.73 3mcu n PHE 195 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 3mcu n ARG 196 N -1.73 2.12 0.00 3.97 5.12 -0.40 -5.01 116.66 120.72 3mcu n ARG 196 Ca 0.04 -1.71 0.00 0.00 -1.93 0.00 0.00 57.85 54.24 3mcu n ARG 196 Cb 0.22 -1.42 0.00 0.00 -1.16 0.00 0.00 32.46 30.10 3mcu n ARG 196 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36