#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ngq s VAL 2 N 0.00 4.83 -0.10 1.69 1.01 -1.26 -4.18 120.40 122.39 1ngq s VAL 2 Ca 0.00 2.01 -0.09 0.00 0.00 0.00 0.00 61.98 63.90 1ngq s VAL 2 Cb 0.00 -4.30 0.03 0.00 0.00 0.00 0.00 36.38 32.11 1ngq s VAL 2 CO 0.00 0.19 0.27 -1.58 0.00 0.00 0.00 175.10 173.98 1ngq s GLN 3 N 0.85 0.30 -0.30 2.72 0.74 -0.32 -5.01 119.66 118.64 1ngq s GLN 3 Ca 0.50 0.40 0.02 0.00 0.05 0.00 0.00 55.36 56.33 1ngq s GLN 3 Cb -0.21 0.12 0.07 0.00 1.10 0.00 0.00 33.01 34.09 1ngq s GLN 3 CO 0.27 -0.05 -0.02 -0.51 -0.55 0.00 0.00 175.29 174.43 1ngq s LEU 4 N 0.29 4.06 -0.27 3.68 1.02 -1.26 -0.38 118.68 125.83 1ngq s LEU 4 Ca -0.01 -1.66 -0.12 0.00 0.02 0.00 0.00 54.13 52.37 1ngq s LEU 4 Cb -0.03 -1.62 -0.05 0.00 0.02 0.00 0.00 46.19 44.51 1ngq s LEU 4 CO -0.01 -0.29 0.21 -1.10 0.02 0.00 0.00 176.35 175.19 1ngq s GLN 5 N 1.07 3.99 0.01 1.70 -0.21 0.12 -4.25 119.66 122.08 1ngq s GLN 5 Ca -0.01 -0.25 0.07 0.00 0.02 0.00 0.00 55.36 55.19 1ngq s GLN 5 Cb -0.20 -3.63 -0.02 0.00 1.00 0.00 0.00 33.01 30.16 1ngq s GLN 5 CO -0.05 -0.14 -0.23 -0.65 -2.12 0.00 0.00 175.29 172.10 1ngq s GLN 6 N 1.64 1.71 0.47 2.91 -0.21 -1.26 -1.94 119.66 122.98 1ngq s GLN 6 Ca 0.08 -0.90 -0.24 0.00 0.02 0.00 0.00 55.36 54.32 1ngq s GLN 6 Cb -0.15 -1.74 -0.08 0.00 1.00 0.00 0.00 33.01 32.03 1ngq s GLN 6 CO 0.09 0.47 1.34 -0.35 -2.12 0.00 0.00 175.29 174.72 1ngq n PRO 7 N 2.21 1.94 -0.12 2.91 -0.04 -1.26 -4.78 135.00 135.85 1ngq n PRO 7 Ca -0.16 0.70 -0.10 0.00 -0.04 0.00 0.00 63.50 63.90 1ngq n PRO 7 Cb 0.52 -2.51 0.04 0.00 -0.04 0.00 0.00 33.50 31.51 1ngq n PRO 7 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1ngq h GLY 8 N 1.92 0.95 -2.90 0.55 0.00 -1.97 -3.33 103.07 98.29 1ngq h GLY 8 Ca -0.50 -0.85 -0.07 0.00 0.00 0.00 0.00 47.33 45.91 1ngq h GLY 8 CO 0.59 0.77 -0.20 0.00 0.00 0.00 0.00 176.54 177.70 1ngq s ALA 9 N -4.59 -0.46 -0.18 3.60 0.00 -1.26 -0.85 121.76 118.02 1ngq s ALA 9 Ca -0.10 -0.49 -0.14 0.00 0.00 0.00 0.00 51.96 51.23 1ngq s ALA 9 Cb 0.12 0.73 0.05 0.00 0.00 0.00 0.00 23.12 24.02 1ngq s ALA 9 CO 0.86 -0.64 0.46 -2.00 0.00 0.00 0.00 175.76 174.43 1ngq s GLU 10 N -3.88 0.50 -0.14 0.00 2.56 -0.28 -4.80 118.70 112.65 1ngq s GLU 10 Ca 0.09 0.73 -0.00 0.00 0.00 0.00 0.00 54.97 55.79 1ngq s GLU 10 Cb 0.02 0.15 -0.01 0.00 2.00 0.00 0.00 34.13 36.30 1ngq s GLU 10 CO -0.06 -0.10 -0.13 -1.17 -0.56 0.00 0.00 175.26 173.24 1ngq s LEU 11 N 0.74 2.69 0.07 2.70 1.98 -1.26 -1.37 118.68 124.23 1ngq s LEU 11 Ca -0.04 -0.36 0.01 0.00 -2.89 0.00 0.00 54.13 50.85 1ngq s LEU 11 Cb -0.05 -1.61 -0.04 0.00 0.66 0.00 0.00 46.19 45.15 1ngq s LEU 11 CO -0.05 0.14 -0.05 -0.69 -1.89 0.00 0.00 176.35 173.80 1ngq s VAL 12 N 0.51 0.48 0.33 1.68 1.01 -0.91 -5.00 120.40 118.50 1ngq s VAL 12 Ca -0.09 -1.73 -0.03 0.00 0.00 0.00 0.00 61.98 60.14 1ngq s VAL 12 Cb -0.16 -1.41 -0.04 0.00 0.00 0.00 0.00 36.38 34.77 1ngq s VAL 12 CO 0.04 -0.83 0.57 -0.54 0.00 0.00 0.00 175.10 174.34 1ngq s LYS 13 N -3.44 3.56 0.52 2.72 3.01 -1.26 -1.65 119.74 123.20 1ngq s LYS 13 Ca 0.06 -0.10 -0.21 0.00 -1.01 0.00 0.00 55.97 54.70 1ngq s LYS 13 Cb 0.03 -2.63 -0.06 0.00 -1.01 0.00 0.00 37.83 34.17 1ngq s LYS 13 CO -0.06 0.15 1.21 -2.14 0.51 0.00 0.00 175.35 175.02 1ngq s PRO 14 N -3.96 3.37 0.00 -1.68 0.02 -1.26 -3.14 135.00 128.36 1ngq s PRO 14 Ca 0.43 1.85 0.00 0.00 0.02 0.00 0.00 61.00 63.30 1ngq s PRO 14 Cb -0.10 -2.19 0.00 0.00 0.02 0.00 0.00 34.50 32.23 1ngq s PRO 14 CO 0.34 -0.89 0.00 0.41 -0.33 0.00 0.00 177.00 176.53 1ngq n GLY 15 N 0.47 2.23 0.00 0.52 0.00 0.16 -4.94 105.19 103.63 1ngq n GLY 15 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1ngq n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ngq n ALA 16 N -0.03 0.00 -2.23 4.61 0.00 -1.19 -4.44 120.51 117.23 1ngq n ALA 16 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1ngq n ALA 16 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 1ngq n ALA 16 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1ngq s SER 17 N -1.00 1.34 0.01 0.00 1.04 -1.26 -1.73 113.70 112.10 1ngq s SER 17 Ca 0.00 -1.10 0.01 0.00 0.48 0.00 0.00 55.95 55.34 1ngq s SER 17 Cb 0.00 0.08 -0.01 0.00 0.10 0.00 0.00 66.02 66.19 1ngq s SER 17 CO 0.00 -0.50 -0.04 0.68 0.98 0.00 0.00 173.24 174.37 1ngq s VAL 18 N -3.57 0.26 -0.31 5.02 -7.23 -1.01 -5.00 120.40 108.56 1ngq s VAL 18 Ca 0.20 -0.52 0.01 0.00 -1.81 0.00 0.00 61.98 59.86 1ngq s VAL 18 Cb 0.05 -0.30 0.07 0.00 0.56 0.00 0.00 36.38 36.77 1ngq s VAL 18 CO 0.01 -0.17 0.01 -0.75 -0.31 0.00 0.00 175.10 173.89 1ngq s LYS 19 N -0.73 2.10 0.01 4.82 2.20 -1.26 -1.82 119.74 125.06 1ngq s LYS 19 Ca -0.05 -1.51 -0.17 0.00 -0.36 0.00 0.00 55.97 53.88 1ngq s LYS 19 Cb -0.05 -3.16 -0.06 0.00 -1.51 0.00 0.00 37.83 33.05 1ngq s LYS 19 CO -0.00 -0.74 0.48 -0.51 -0.36 0.00 0.00 175.35 174.22 1ngq s LEU 20 N 1.11 4.47 0.22 5.43 1.02 -0.39 -4.93 118.68 125.61 1ngq s LEU 20 Ca -0.01 1.06 0.09 0.00 0.02 0.00 0.00 54.13 55.28 1ngq s LEU 20 Cb -0.20 -2.72 -0.04 0.00 0.02 0.00 0.00 46.19 43.25 1ngq s LEU 20 CO -0.04 0.26 0.00 -0.94 0.02 0.00 0.00 176.35 175.65 1ngq s SER 21 N -0.83 4.66 -0.31 2.29 1.04 -1.26 -1.61 113.70 117.67 1ngq s SER 21 Ca 0.26 -0.52 0.02 0.00 0.48 0.00 0.00 55.95 56.18 1ngq s SER 21 Cb -0.18 -0.93 0.15 0.00 0.10 0.00 0.00 66.02 65.16 1ngq s SER 21 CO 0.15 0.04 0.36 0.00 0.98 0.00 0.00 173.24 174.77 1ngq s LYS 23 N 2.18 4.28 -0.08 0.00 2.36 -0.82 -0.93 119.74 126.74 1ngq s LYS 23 Ca 0.11 0.86 -0.04 0.00 -2.55 0.00 0.00 55.97 54.35 1ngq s LYS 23 Cb -0.13 -3.57 -0.04 0.00 -1.05 0.00 0.00 37.83 33.04 1ngq s LYS 23 CO -0.24 -0.27 0.11 0.00 1.55 0.00 0.00 175.35 176.50 1ngq s ALA 24 N 1.96 3.73 0.06 3.13 0.00 -0.30 0.11 121.76 130.46 1ngq s ALA 24 Ca 0.35 -0.73 -0.13 0.00 0.00 0.00 0.00 51.96 51.45 1ngq s ALA 24 Cb -0.16 -1.80 0.02 0.00 0.00 0.00 0.00 23.12 21.17 1ngq s ALA 24 CO 0.12 0.64 0.29 -1.54 0.00 0.00 0.00 175.76 175.27 1ngq s SER 25 N -1.25 -0.08 0.00 0.00 1.04 0.49 -4.84 113.70 109.06 1ngq s SER 25 Ca 0.18 -0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.29 1ngq s SER 25 Cb -0.12 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.37 1ngq s SER 25 CO 0.07 -0.67 0.00 0.61 0.98 0.00 0.00 173.24 174.24 1ngq n GLY 26 N 0.34 0.71 3.78 7.32 0.00 -1.26 -1.18 105.19 114.89 1ngq n GLY 26 Ca -0.17 -0.27 -0.06 0.00 0.00 0.00 0.00 46.02 45.52 1ngq n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ngq s TYR 27 N -2.00 -0.18 -0.61 1.61 -0.85 -1.26 -4.49 117.35 109.56 1ngq s TYR 27 Ca 0.00 -0.18 -0.25 0.00 -0.52 0.00 0.00 57.07 56.12 1ngq s TYR 27 Cb 0.00 0.66 0.05 0.00 0.38 0.00 0.00 41.96 43.05 1ngq s TYR 27 CO 0.00 -1.00 1.03 0.99 -1.52 0.00 0.00 175.55 175.05 1ngq s THR 28 N -3.59 4.22 0.15 -3.49 2.01 -1.26 -4.90 115.64 108.79 1ngq s THR 28 Ca 0.11 0.20 -0.05 0.00 0.31 0.00 0.00 61.69 62.26 1ngq s THR 28 Cb -0.03 -4.66 0.24 0.00 0.01 0.00 0.00 72.50 68.05 1ngq s THR 28 CO 0.03 -1.35 0.87 0.33 -0.69 0.00 0.00 174.62 173.82 1ngq n PHE 29 N 7.94 0.17 -0.21 4.92 7.35 -1.26 -1.11 117.46 135.25 1ngq n PHE 29 Ca 0.01 0.69 -0.02 0.00 -0.76 0.00 0.00 57.45 57.37 1ngq n PHE 29 Cb 0.47 -0.80 0.19 0.00 0.35 0.00 0.00 39.48 39.69 1ngq n PHE 29 CO 0.00 0.00 0.00 1.15 -0.76 0.00 0.00 176.76 177.15 1ngq h THR 30 N 0.00 1.22 0.00 -2.13 2.02 -1.93 -2.97 112.91 109.11 1ngq h THR 30 Ca 0.26 -0.56 0.00 0.00 0.77 0.00 0.00 66.41 66.87 1ngq h THR 30 Cb 0.40 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.07 1ngq h THR 30 CO -0.57 0.25 0.00 -1.20 0.37 0.00 0.00 175.52 174.36 1ngq n SER 31 N -4.35 0.00 -3.98 4.18 7.64 -0.27 -4.69 113.62 112.15 1ngq n SER 31 Ca 0.07 -1.16 -0.09 0.00 1.01 0.00 0.00 58.87 58.70 1ngq n SER 31 Cb 0.11 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.20 1ngq n SER 31 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1ngq s TYR 32 N -2.00 0.26 0.41 1.43 1.51 -1.12 -4.64 117.35 113.19 1ngq s TYR 32 Ca 0.14 -0.52 -0.07 0.00 -1.01 0.00 0.00 57.07 55.60 1ngq s TYR 32 Cb 0.06 -0.19 -0.05 0.00 -0.11 0.00 0.00 41.96 41.67 1ngq s TYR 32 CO 0.11 -0.19 0.73 -1.58 -1.11 0.00 0.00 175.55 173.51 1ngq s TRP 33 N -1.43 3.50 -0.12 2.71 0.52 -1.15 -4.51 118.94 118.46 1ngq s TRP 33 Ca -0.16 0.87 0.03 0.00 0.02 0.00 0.00 56.10 56.86 1ngq s TRP 33 Cb -0.10 -2.31 0.01 0.00 -1.15 0.00 0.00 33.47 29.92 1ngq s TRP 33 CO -0.01 -0.11 -0.22 1.41 0.02 0.00 0.00 176.95 178.04 1ngq s MET 34 N -4.12 2.93 0.22 4.98 1.75 -0.80 -1.76 119.30 122.50 1ngq s MET 34 Ca 0.48 -0.83 0.09 0.00 -1.25 0.00 0.00 55.69 54.18 1ngq s MET 34 Cb -0.10 -2.31 -0.04 0.00 2.84 0.00 0.00 34.83 35.22 1ngq s MET 34 CO 0.36 0.06 -0.01 -1.01 -0.65 0.00 0.00 175.02 173.77 1ngq s HIS 35 N 0.64 2.75 -0.02 4.11 3.76 0.12 -1.72 115.29 124.94 1ngq s HIS 35 Ca -0.12 -0.19 0.05 0.00 -0.15 0.00 0.00 55.06 54.66 1ngq s HIS 35 Cb -0.16 -1.28 -0.01 0.00 1.11 0.00 0.00 32.58 32.23 1ngq s HIS 35 CO 0.02 0.56 -0.18 -1.58 -0.85 0.00 0.00 174.74 172.72 1ngq s TRP 36 N -2.01 1.64 0.03 1.40 0.52 -0.99 -0.24 118.94 119.29 1ngq s TRP 36 Ca 0.29 -0.35 0.02 0.00 0.02 0.00 0.00 56.10 56.08 1ngq s TRP 36 Cb -0.08 -1.07 -0.02 0.00 -1.15 0.00 0.00 33.47 31.16 1ngq s TRP 36 CO 0.19 -0.06 -0.06 0.08 0.02 0.00 0.00 176.95 177.12 1ngq s VAL 37 N -0.32 0.40 -0.12 4.03 1.01 -0.12 -1.13 120.40 124.16 1ngq s VAL 37 Ca 0.05 -0.87 -0.00 0.00 0.00 0.00 0.00 61.98 61.16 1ngq s VAL 37 Cb -0.08 -0.47 -0.02 0.00 0.00 0.00 0.00 36.38 35.81 1ngq s VAL 37 CO -0.00 -0.32 -0.10 -0.75 0.00 0.00 0.00 175.10 173.93 1ngq s LYS 38 N -1.26 3.26 -0.23 2.72 2.20 -0.03 -0.45 119.74 125.94 1ngq s LYS 38 Ca -0.09 -0.63 0.01 0.00 -0.36 0.00 0.00 55.97 54.90 1ngq s LYS 38 Cb -0.08 -2.66 0.06 0.00 -1.51 0.00 0.00 37.83 33.64 1ngq s LYS 38 CO -0.00 0.33 -0.05 -1.14 -0.36 0.00 0.00 175.35 174.13 1ngq s GLN 39 N 0.06 1.60 -0.31 4.03 0.74 0.18 -1.28 119.66 124.68 1ngq s GLN 39 Ca -0.03 -0.98 -0.17 0.00 0.05 0.00 0.00 55.36 54.23 1ngq s GLN 39 Cb -0.14 -2.58 -0.02 0.00 1.10 0.00 0.00 33.01 31.37 1ngq s GLN 39 CO 0.04 -0.60 0.45 0.50 -0.55 0.00 0.00 175.29 175.13 1ngq s ARG 40 N 1.41 3.79 -0.10 1.67 3.52 -1.25 -0.73 118.95 127.26 1ngq s ARG 40 Ca -0.06 -0.08 -0.29 0.00 -0.13 0.00 0.00 55.73 55.17 1ngq s ARG 40 Cb -0.19 -3.74 -0.05 0.00 -1.56 0.00 0.00 34.95 29.41 1ngq s ARG 40 CO -0.06 -0.48 1.77 -1.25 -0.81 0.00 0.00 175.30 174.47 1ngq s PRO 41 N 2.22 3.96 0.00 5.12 0.04 -1.26 -1.12 135.00 143.95 1ngq s PRO 41 Ca 0.17 2.12 0.00 0.00 0.04 0.00 0.00 61.00 63.33 1ngq s PRO 41 Cb -0.16 -4.08 0.00 0.00 0.04 0.00 0.00 34.50 30.30 1ngq s PRO 41 CO 0.11 -1.13 0.00 0.41 0.04 0.00 0.00 177.00 176.44 1ngq n GLY 42 N 4.54 0.83 3.23 0.56 0.00 -1.26 -5.06 105.19 108.02 1ngq n GLY 42 Ca 0.20 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.07 1ngq n GLY 42 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1ngq s ARG 43 N -0.36 1.36 0.00 1.61 1.70 -0.28 -5.16 118.95 117.83 1ngq s ARG 43 Ca 0.00 -1.74 0.00 0.00 -0.47 0.00 0.00 55.73 53.52 1ngq s ARG 43 Cb 0.00 0.24 0.00 0.00 -0.57 0.00 0.00 34.95 34.62 1ngq s ARG 43 CO 0.00 -0.45 0.00 0.41 -1.08 0.00 0.00 175.30 174.18 1ngq n GLY 44 N -0.38 -1.06 3.92 3.88 0.00 -1.26 -4.58 105.19 105.71 1ngq n GLY 44 Ca 0.03 -1.54 -0.30 0.00 0.00 0.00 0.00 46.02 44.22 1ngq n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ngq s LEU 45 N 0.00 4.33 -0.08 0.99 1.43 -1.26 -3.79 118.68 120.30 1ngq s LEU 45 Ca 0.00 0.30 0.02 0.00 -1.03 0.00 0.00 54.13 53.43 1ngq s LEU 45 Cb 0.00 -3.02 0.01 0.00 0.03 0.00 0.00 46.19 43.22 1ngq s LEU 45 CO 0.00 0.11 -0.14 -1.61 0.23 0.00 0.00 176.35 174.93 1ngq s GLU 46 N -2.76 2.00 0.12 1.70 2.02 -0.40 -4.96 118.70 116.41 1ngq s GLU 46 Ca 0.36 -0.51 -0.31 0.00 0.02 0.00 0.00 54.97 54.54 1ngq s GLU 46 Cb -0.12 -1.64 -0.07 0.00 0.10 0.00 0.00 34.13 32.39 1ngq s GLU 46 CO 0.28 0.02 1.28 -0.46 0.02 0.00 0.00 175.26 176.40 1ngq s TRP 47 N 0.72 3.34 -0.22 1.61 -0.00 -1.26 -0.85 118.94 122.28 1ngq s TRP 47 Ca -0.13 1.19 -0.18 0.00 -0.00 0.00 0.00 56.10 56.98 1ngq s TRP 47 Cb -0.16 -3.54 -0.15 0.00 -0.00 0.00 0.00 33.47 29.62 1ngq s TRP 47 CO 0.03 -1.75 0.01 -0.89 -0.00 0.00 0.00 176.95 174.35 1ngq n ILE 48 N 3.47 1.52 -1.18 5.86 5.41 -0.29 -4.68 119.36 129.48 1ngq n ILE 48 Ca 0.09 -0.08 0.00 0.00 1.00 0.00 0.00 62.75 63.76 1ngq n ILE 48 Cb 0.44 -2.06 0.00 0.00 -0.71 0.00 0.00 39.64 37.31 1ngq n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1ngq n GLY 49 N 1.41 -1.63 3.24 7.39 0.00 -1.25 -0.25 105.19 114.10 1ngq n GLY 49 Ca -0.34 -1.08 -0.13 0.00 0.00 0.00 0.00 46.02 44.47 1ngq n GLY 49 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1ngq s ARG 50 N -1.57 1.19 -0.00 1.61 1.04 0.15 -2.34 118.95 119.03 1ngq s ARG 50 Ca 0.00 -1.61 0.00 0.00 -1.04 0.00 0.00 55.73 53.08 1ngq s ARG 50 Cb 0.00 -0.05 0.00 0.00 -2.04 0.00 0.00 34.95 32.86 1ngq s ARG 50 CO 0.00 -0.27 -0.01 -1.50 -0.04 0.00 0.00 175.30 173.49 1ngq s ILE 51 N -3.88 0.07 -0.24 4.99 2.07 -0.70 -2.13 121.20 121.39 1ngq s ILE 51 Ca 0.32 -0.02 -0.13 0.00 -1.41 0.00 0.00 60.65 59.41 1ngq s ILE 51 Cb 0.07 -0.08 -0.04 0.00 0.13 0.00 0.00 42.46 42.53 1ngq s ILE 51 CO 0.08 0.03 0.28 -0.62 -1.91 0.00 0.00 174.94 172.81 1ngq s ASP 52 N 0.09 6.22 0.31 4.50 2.15 -0.26 -1.90 116.67 127.78 1ngq s ASP 52 Ca -0.01 0.24 0.26 0.00 0.43 0.00 0.00 52.55 53.48 1ngq s ASP 52 Cb -0.02 -2.17 0.97 0.00 -0.30 0.00 0.00 42.92 41.41 1ngq s ASP 52 CO -0.00 -0.05 1.77 -0.65 -0.17 0.00 0.00 175.17 176.07 1ngq h PRO 53 N 7.76 0.00 0.34 4.34 0.11 -1.87 -0.05 132.00 142.63 1ngq h PRO 53 Ca -0.36 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.74 1ngq h PRO 53 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1ngq h PRO 53 CO 0.65 0.00 -0.17 -0.91 -0.21 0.00 0.00 178.00 177.37 1ngq h ASN 54 N 0.00 -0.39 0.26 -2.05 2.35 -1.93 -3.39 115.58 110.42 1ngq h ASN 54 Ca 0.00 0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.72 1ngq h ASN 54 Cb 0.51 0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.98 1ngq h ASN 54 CO 0.00 0.02 -1.79 -1.54 -1.65 0.00 0.00 177.43 172.47 1ngq n SER 55 N -4.90 0.23 0.00 5.81 3.41 -1.25 -4.98 113.62 111.94 1ngq n SER 55 Ca -0.06 0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 1ngq n SER 55 Cb 0.18 1.46 0.00 0.00 -0.26 0.00 0.00 64.21 65.60 1ngq n SER 55 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ngq n GLY 56 N 1.30 0.75 3.74 5.00 0.00 -0.03 -5.02 105.19 110.92 1ngq n GLY 56 Ca -0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 1ngq n GLY 56 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ngq s GLY 57 N -1.81 2.34 0.33 -0.02 0.00 -1.23 -4.71 107.32 102.21 1ngq s GLY 57 Ca 0.00 1.23 0.09 0.00 0.00 0.00 0.00 44.72 46.04 1ngq s GLY 57 CO 0.00 2.21 -0.10 -0.51 0.00 0.00 0.00 173.10 174.69 1ngq s THR 58 N 0.13 2.19 -0.10 0.90 -4.23 -1.26 -1.11 115.64 112.16 1ngq s THR 58 Ca 0.59 -2.22 -0.05 0.00 -1.18 0.00 0.00 61.69 58.83 1ngq s THR 58 Cb -0.39 -2.58 0.05 0.00 1.34 0.00 0.00 72.50 70.92 1ngq s THR 58 CO 0.40 -0.24 0.24 -0.54 -0.54 0.00 0.00 174.62 173.94 1ngq s LYS 59 N -3.61 0.19 0.36 3.99 -0.14 -0.90 -4.98 119.74 114.64 1ngq s LYS 59 Ca 0.32 0.53 0.09 0.00 -1.36 0.00 0.00 55.97 55.54 1ngq s LYS 59 Cb 0.02 -0.12 -0.06 0.00 -1.68 0.00 0.00 37.83 35.98 1ngq s LYS 59 CO 0.16 -0.17 -0.01 0.71 -0.76 0.00 0.00 175.35 175.27 1ngq s TYR 60 N 1.34 2.50 -0.09 3.18 1.51 -1.26 -0.67 117.35 123.86 1ngq s TYR 60 Ca -0.08 -0.51 -0.26 0.00 -1.01 0.00 0.00 57.07 55.20 1ngq s TYR 60 Cb -0.11 -1.55 -0.02 0.00 -0.11 0.00 0.00 41.96 40.17 1ngq s TYR 60 CO -0.08 0.48 0.85 1.21 -1.11 0.00 0.00 175.55 176.90 1ngq s ASN 61 N -3.70 7.10 0.46 2.29 3.84 0.65 -4.89 114.94 120.70 1ngq s ASN 61 Ca 0.35 1.34 0.30 0.00 0.21 0.00 0.00 52.86 55.06 1ngq s ASN 61 Cb 0.03 -2.48 1.39 0.00 -0.55 0.00 0.00 41.25 39.64 1ngq s ASN 61 CO 0.18 -0.29 1.71 -0.33 -2.79 0.00 0.00 177.10 175.58 1ngq h GLU 62 N 7.01 0.15 -0.23 0.43 4.39 -1.96 0.17 114.58 124.54 1ngq h GLU 62 Ca -0.36 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.32 1ngq h GLU 62 Cb 1.17 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.78 1ngq h GLU 62 CO 0.79 0.10 0.09 -0.22 -1.16 0.00 0.00 179.01 178.61 1ngq h LYS 63 N 0.15 0.31 0.00 2.33 3.64 -1.94 -2.83 116.57 118.23 1ngq h LYS 63 Ca 0.70 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 60.05 1ngq h LYS 63 Cb 2.30 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 34.06 1ngq h LYS 63 CO -0.24 0.26 -0.98 1.19 -2.27 0.00 0.00 179.45 177.41 1ngq n PHE 64 N -4.44 0.00 -0.20 1.91 3.72 0.57 -4.60 117.46 114.42 1ngq n PHE 64 Ca 0.00 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.54 1ngq n PHE 64 Cb 0.12 -0.03 0.25 0.00 -0.94 0.00 0.00 39.48 38.88 1ngq n PHE 64 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1ngq n LYS 65 N -1.52 -0.04 0.00 -1.08 4.81 -0.93 0.24 118.16 119.65 1ngq n LYS 65 Ca 0.04 0.86 0.09 0.00 -0.87 0.00 0.00 58.31 58.42 1ngq n LYS 65 Cb 0.34 -1.44 -0.03 0.00 0.02 0.00 0.00 35.03 33.92 1ngq n LYS 65 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1ngq n SER 66 N -4.57 1.48 -0.09 3.14 3.41 -1.26 -4.52 113.62 111.20 1ngq n SER 66 Ca 0.18 -1.24 -0.13 0.00 -0.26 0.00 0.00 58.87 57.42 1ngq n SER 66 Cb 0.59 0.63 -0.15 0.00 -0.26 0.00 0.00 64.21 65.03 1ngq n SER 66 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1ngq n LYS 67 N -0.49 0.68 -4.34 4.33 3.00 0.14 -4.82 118.16 116.66 1ngq n LYS 67 Ca 0.06 0.09 -0.29 0.00 -0.00 0.00 0.00 58.31 58.18 1ngq n LYS 67 Cb 0.35 -1.57 -0.12 0.00 0.00 0.00 0.00 35.03 33.69 1ngq n LYS 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ngq s ALA 68 N -2.52 2.59 -0.11 3.14 0.00 -0.61 -1.82 121.76 122.42 1ngq s ALA 68 Ca -0.17 -1.42 -0.01 0.00 0.00 0.00 0.00 51.96 50.37 1ngq s ALA 68 Cb 0.07 -0.54 0.03 0.00 0.00 0.00 0.00 23.12 22.68 1ngq s ALA 68 CO 0.77 0.56 -0.03 0.99 0.00 0.00 0.00 175.76 178.04 1ngq s THR 69 N -1.18 0.75 0.10 0.00 2.01 -0.09 -4.77 115.64 112.47 1ngq s THR 69 Ca 0.17 -0.22 -0.12 0.00 0.31 0.00 0.00 61.69 61.84 1ngq s THR 69 Cb -0.10 -0.90 -0.06 0.00 0.01 0.00 0.00 72.50 71.45 1ngq s THR 69 CO 0.09 0.23 0.46 -0.76 -0.69 0.00 0.00 174.62 173.95 1ngq s LEU 70 N 1.81 4.35 0.12 4.42 1.02 -1.26 -0.88 118.68 128.25 1ngq s LEU 70 Ca 0.04 0.91 -0.07 0.00 0.02 0.00 0.00 54.13 55.03 1ngq s LEU 70 Cb -0.13 -3.09 -0.02 0.00 0.02 0.00 0.00 46.19 42.97 1ngq s LEU 70 CO -0.07 0.15 0.18 -0.89 0.02 0.00 0.00 176.35 175.74 1ngq s THR 71 N -1.42 0.11 -0.01 5.49 2.01 -0.88 -5.00 115.64 115.95 1ngq s THR 71 Ca 0.35 -1.46 -0.09 0.00 0.31 0.00 0.00 61.69 60.79 1ngq s THR 71 Cb -0.14 -1.69 0.01 0.00 0.01 0.00 0.00 72.50 70.68 1ngq s THR 71 CO 0.18 -0.51 0.18 0.54 -0.69 0.00 0.00 174.62 174.32 1ngq s VAL 72 N -3.95 0.07 -0.50 3.82 0.11 -1.26 -1.52 120.40 117.18 1ngq s VAL 72 Ca 0.14 -0.60 0.03 0.00 -2.93 0.00 0.00 61.98 58.62 1ngq s VAL 72 Cb 0.05 -0.46 0.15 0.00 -1.53 0.00 0.00 36.38 34.59 1ngq s VAL 72 CO -0.04 -0.33 0.32 -0.62 -3.33 0.00 0.00 175.10 171.10 1ngq s ASP 73 N -1.27 3.58 0.21 3.54 -1.08 0.05 -5.00 116.67 116.71 1ngq s ASP 73 Ca -0.13 -3.02 -0.17 0.00 -0.52 0.00 0.00 52.55 48.71 1ngq s ASP 73 Cb -0.07 -1.11 0.20 0.00 -1.46 0.00 0.00 42.92 40.49 1ngq s ASP 73 CO 0.02 -0.20 1.60 0.50 0.52 0.00 0.00 175.17 177.60 1ngq h LYS 74 N 6.20 -0.08 -0.35 4.34 3.11 -1.87 -1.47 116.57 126.45 1ngq h LYS 74 Ca 0.07 0.01 0.06 0.00 -2.81 0.00 0.00 60.65 57.97 1ngq h LYS 74 Cb 0.88 0.02 -0.05 0.00 -1.00 0.00 0.00 32.23 32.08 1ngq h LYS 74 CO 0.53 -0.05 0.04 -1.35 -2.81 0.00 0.00 179.45 175.81 1ngq h PRO 75 N -0.08 0.15 -0.22 1.90 0.11 -1.96 -1.15 132.00 130.74 1ngq h PRO 75 Ca 0.29 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.39 1ngq h PRO 75 Cb 0.54 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.62 1ngq h PRO 75 CO -0.72 0.10 0.00 -1.13 -0.21 0.00 0.00 178.00 176.04 1ngq n SER 76 N -5.13 1.51 -3.75 -2.05 3.41 -0.97 -4.95 113.62 101.70 1ngq n SER 76 Ca 0.01 -1.84 -0.23 0.00 -0.26 0.00 0.00 58.87 56.55 1ngq n SER 76 Cb 0.17 -0.15 0.02 0.00 -0.26 0.00 0.00 64.21 63.99 1ngq n SER 76 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1ngq n SER 77 N 0.27 -1.55 -3.99 4.04 7.64 -0.43 -4.77 113.62 114.83 1ngq n SER 77 Ca 0.13 -0.89 -0.18 0.00 1.01 0.00 0.00 58.87 58.94 1ngq n SER 77 Cb 0.27 -3.75 -0.15 0.00 -1.01 0.00 0.00 64.21 59.58 1ngq n SER 77 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1ngq s THR 78 N -3.72 0.60 0.01 0.44 2.01 -1.09 -1.16 115.64 112.74 1ngq s THR 78 Ca 0.07 -0.30 -0.00 0.00 0.31 0.00 0.00 61.69 61.76 1ngq s THR 78 Cb -0.02 -0.51 -0.04 0.00 0.01 0.00 0.00 72.50 71.94 1ngq s THR 78 CO 0.84 0.18 0.11 0.00 -0.69 0.00 0.00 174.62 175.06 1ngq s ALA 79 N -0.05 3.70 0.14 7.40 0.00 -0.10 -0.77 121.76 132.08 1ngq s ALA 79 Ca 0.01 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 51.13 1ngq s ALA 79 Cb -0.04 -1.64 -0.04 0.00 0.00 0.00 0.00 23.12 21.39 1ngq s ALA 79 CO -0.00 0.73 -0.07 0.71 0.00 0.00 0.00 175.76 177.13 1ngq s TYR 80 N -1.28 1.14 -0.12 0.00 1.51 -0.57 -0.48 117.35 117.54 1ngq s TYR 80 Ca 0.26 -0.86 -0.05 0.00 -1.01 0.00 0.00 57.07 55.41 1ngq s TYR 80 Cb -0.12 -0.62 0.06 0.00 -0.11 0.00 0.00 41.96 41.16 1ngq s TYR 80 CO 0.18 -0.05 0.26 1.41 -1.11 0.00 0.00 175.55 176.23 1ngq s MET 81 N -3.81 0.17 -0.01 -0.62 1.75 -0.64 -2.07 119.30 114.08 1ngq s MET 81 Ca 0.17 0.66 -0.01 0.00 -1.25 0.00 0.00 55.69 55.25 1ngq s MET 81 Cb 0.04 -0.07 -0.04 0.00 2.84 0.00 0.00 34.83 37.60 1ngq s MET 81 CO -0.00 -0.23 0.12 -1.14 -0.65 0.00 0.00 175.02 173.11 1ngq s GLN 82 N 1.93 3.21 -0.13 4.11 0.74 -0.06 -1.26 119.66 128.20 1ngq s GLN 82 Ca -0.03 -0.42 0.02 0.00 0.05 0.00 0.00 55.36 54.98 1ngq s GLN 82 Cb -0.11 -2.95 0.02 0.00 1.10 0.00 0.00 33.01 31.06 1ngq s GLN 82 CO -0.09 0.66 -0.17 -0.51 -0.55 0.00 0.00 175.29 174.64 1ngq s LEU 83 N -1.77 1.83 0.41 3.68 1.43 -0.76 -0.91 118.68 122.59 1ngq s LEU 83 Ca 0.24 -0.49 0.08 0.00 -1.03 0.00 0.00 54.13 52.92 1ngq s LEU 83 Cb -0.12 -1.22 -0.03 0.00 0.03 0.00 0.00 46.19 44.86 1ngq s LEU 83 CO 0.15 0.02 0.34 -0.94 0.23 0.00 0.00 176.35 176.15 1ngq s SER 84 N 1.05 4.97 -1.05 2.29 1.04 -0.76 -2.41 113.70 118.83 1ngq s SER 84 Ca -0.04 -0.77 -0.30 0.00 0.48 0.00 0.00 55.95 55.32 1ngq s SER 84 Cb -0.15 -0.59 0.04 0.00 0.10 0.00 0.00 66.02 65.42 1ngq s SER 84 CO -0.04 -0.61 0.59 -1.20 0.98 0.00 0.00 173.24 172.97 1ngq n SER 85 N -1.48 -3.63 -4.77 7.02 7.64 -1.14 -4.86 113.62 112.40 1ngq n SER 85 Ca 0.02 -1.14 -0.34 0.00 1.01 0.00 0.00 58.87 58.42 1ngq n SER 85 Cb 0.62 -1.39 0.02 0.00 -1.01 0.00 0.00 64.21 62.45 1ngq n SER 85 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1ngq s LEU 86 N -7.06 3.62 0.15 -3.43 1.43 -0.70 -4.75 118.68 107.94 1ngq s LEU 86 Ca 0.41 2.11 -0.05 0.00 -1.03 0.00 0.00 54.13 55.57 1ngq s LEU 86 Cb -0.23 -4.57 -0.02 0.00 0.03 0.00 0.00 46.19 41.40 1ngq s LEU 86 CO 0.86 -1.36 0.18 0.42 0.23 0.00 0.00 176.35 176.67 1ngq s THR 87 N -1.98 0.08 0.31 5.49 -4.23 -1.26 0.38 115.64 114.43 1ngq s THR 87 Ca 0.71 -1.67 0.05 0.00 -1.18 0.00 0.00 61.69 59.60 1ngq s THR 87 Cb -0.23 -1.99 0.37 0.00 1.34 0.00 0.00 72.50 71.99 1ngq s THR 87 CO 0.32 -0.34 1.60 0.28 -0.54 0.00 0.00 174.62 175.94 1ngq h SER 88 N 2.68 -0.19 0.13 3.99 0.02 -1.98 0.43 113.55 118.63 1ngq h SER 88 Ca -0.33 0.25 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1ngq h SER 88 Cb 1.22 0.38 0.00 0.00 0.14 0.00 0.00 62.40 64.14 1ngq h SER 88 CO 0.53 -0.31 0.00 -0.62 -1.14 0.00 0.00 176.83 175.29 1ngq n GLU 89 N -5.37 0.02 0.00 3.45 -0.58 -1.26 -1.73 120.64 115.17 1ngq n GLU 89 Ca 0.25 0.37 0.14 0.00 -0.42 0.00 0.00 57.16 57.50 1ngq n GLU 89 Cb 0.84 -1.50 0.49 0.00 -0.57 0.00 0.00 31.44 30.70 1ngq n GLU 89 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1ngq n ASP 90 N -1.43 1.17 -4.73 1.62 8.00 0.15 -4.89 116.55 116.44 1ngq n ASP 90 Ca 0.01 -1.17 -0.42 0.00 0.71 0.00 0.00 54.79 53.93 1ngq n ASP 90 Cb 0.05 0.05 -0.03 0.00 -0.02 0.00 0.00 41.12 41.17 1ngq n ASP 90 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1ngq s SER 91 N -2.23 6.42 0.00 -2.24 0.01 -0.71 -4.89 113.70 110.06 1ngq s SER 91 Ca 0.32 2.84 0.00 0.00 1.31 0.00 0.00 55.95 60.42 1ngq s SER 91 Cb 0.20 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.82 1ngq s SER 91 CO 0.42 -0.92 0.00 0.00 0.41 0.00 0.00 173.24 173.15 1ngq n ALA 92 N 3.47 0.00 -2.79 1.44 0.00 -0.62 -4.94 120.51 117.06 1ngq n ALA 92 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.22 1ngq n ALA 92 Cb 0.36 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.73 1ngq n ALA 92 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1ngq s VAL 93 N -2.30 5.09 -0.26 0.00 1.01 0.09 -0.21 120.40 123.83 1ngq s VAL 93 Ca 0.00 0.07 -0.02 0.00 0.00 0.00 0.00 61.98 62.02 1ngq s VAL 93 Cb 0.00 -3.27 0.03 0.00 0.00 0.00 0.00 36.38 33.13 1ngq s VAL 93 CO 0.00 0.51 -0.04 -0.31 0.00 0.00 0.00 175.10 175.26 1ngq s TYR 94 N -0.10 3.09 0.24 5.22 2.02 -0.86 0.50 117.35 127.47 1ngq s TYR 94 Ca 0.08 -1.51 0.06 0.00 -0.37 0.00 0.00 57.07 55.34 1ngq s TYR 94 Cb -0.12 -2.09 -0.04 0.00 -0.40 0.00 0.00 41.96 39.32 1ngq s TYR 94 CO 0.01 -0.71 0.21 0.71 -1.57 0.00 0.00 175.55 174.19 1ngq s TYR 95 N 1.34 3.16 -0.05 2.71 1.51 0.40 -2.48 117.35 123.94 1ngq s TYR 95 Ca 0.00 -0.08 0.04 0.00 -1.01 0.00 0.00 57.07 56.01 1ngq s TYR 95 Cb -0.17 -1.44 -0.03 0.00 -0.11 0.00 0.00 41.96 40.22 1ngq s TYR 95 CO -0.03 0.51 -0.14 0.00 -1.11 0.00 0.00 175.55 174.77 1ngq s ALA 97 N -0.69 0.29 0.18 0.00 0.00 0.67 -1.59 121.76 120.62 1ngq s ALA 97 Ca 0.10 -0.66 -0.07 0.00 0.00 0.00 0.00 51.96 51.33 1ngq s ALA 97 Cb -0.11 0.11 -0.06 0.00 0.00 0.00 0.00 23.12 23.06 1ngq s ALA 97 CO 0.01 -0.11 0.45 0.50 0.00 0.00 0.00 175.76 176.61 1ngq s ARG 98 N -1.53 3.70 -0.10 0.00 3.52 -0.56 0.16 118.95 124.13 1ngq s ARG 98 Ca -0.14 0.08 0.00 0.00 -0.13 0.00 0.00 55.73 55.54 1ngq s ARG 98 Cb -0.10 -2.76 0.02 0.00 -1.56 0.00 0.00 34.95 30.55 1ngq s ARG 98 CO -0.01 0.40 -0.08 -0.47 -0.81 0.00 0.00 175.30 174.34 1ngq s TYR 99 N -1.72 1.43 -1.20 5.12 5.04 -0.72 -3.55 117.35 121.74 1ngq s TYR 99 Ca 0.44 -0.67 -0.21 0.00 -2.44 0.00 0.00 57.07 54.19 1ngq s TYR 99 Cb -0.12 -1.17 0.01 0.00 0.35 0.00 0.00 41.96 41.03 1ngq s TYR 99 CO 0.23 -0.46 1.78 0.34 -1.34 0.00 0.00 175.55 176.10 1ngq s ASP 100 N 1.50 6.12 0.16 4.32 2.15 -0.26 -2.91 116.67 127.74 1ngq s ASP 100 Ca 0.01 -1.96 -0.06 0.00 0.43 0.00 0.00 52.55 50.96 1ngq s ASP 100 Cb -0.13 -2.58 0.02 0.00 -0.30 0.00 0.00 42.92 39.93 1ngq s ASP 100 CO -0.06 -1.92 1.45 0.22 -0.17 0.00 0.00 175.17 174.69 1ngq h TYR 101 N 8.77 0.83 -0.00 -5.34 3.20 -1.88 0.43 116.97 122.98 1ngq h TYR 101 Ca 0.32 -0.31 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1ngq h TYR 101 Cb 0.92 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 39.04 1ngq h TYR 101 CO 1.33 1.08 -0.30 0.66 -1.64 0.00 0.00 178.16 179.29 1ngq n TYR 102 N -3.95 0.00 0.00 -3.82 4.01 -1.26 -4.77 117.16 107.36 1ngq n TYR 102 Ca -0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.70 1ngq n TYR 102 Cb 0.64 -0.20 0.00 0.00 -0.31 0.00 0.00 39.34 39.47 1ngq n TYR 102 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ngq n GLY 103 N 1.39 1.05 1.29 2.72 0.00 -1.20 -5.03 105.19 105.42 1ngq n GLY 103 Ca 0.10 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.23 1ngq n GLY 103 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ngq n SER 104 N 0.00 3.74 -3.34 1.61 7.64 -1.22 -5.02 113.62 117.03 1ngq n SER 104 Ca 0.00 -2.00 -0.17 0.00 1.01 0.00 0.00 58.87 57.71 1ngq n SER 104 Cb 0.00 -0.45 0.07 0.00 -1.01 0.00 0.00 64.21 62.82 1ngq n SER 104 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1ngq n SER 105 N 1.56 -5.35 -4.11 6.43 7.64 0.14 -5.02 113.62 114.91 1ngq n SER 105 Ca 0.23 -0.72 -0.08 0.00 1.01 0.00 0.00 58.87 59.31 1ngq n SER 105 Cb 0.60 -5.00 -0.10 0.00 -1.01 0.00 0.00 64.21 58.70 1ngq n SER 105 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 1ngq s TYR 106 N -3.40 0.62 -1.10 1.43 -0.85 -1.26 -4.93 117.35 107.86 1ngq s TYR 106 Ca 0.35 -1.07 -0.08 0.00 -0.52 0.00 0.00 57.07 55.75 1ngq s TYR 106 Cb -0.05 -0.42 0.28 0.00 0.38 0.00 0.00 41.96 42.14 1ngq s TYR 106 CO 0.75 -0.36 1.12 1.19 -1.52 0.00 0.00 175.55 176.74 1ngq n PHE 107 N 0.06 4.92 0.38 -3.49 3.01 -1.26 -1.10 117.46 119.98 1ngq n PHE 107 Ca -0.13 -3.82 -0.15 0.00 1.01 0.00 0.00 57.45 54.37 1ngq n PHE 107 Cb 0.61 -1.62 -0.07 0.00 -0.01 0.00 0.00 39.48 38.40 1ngq n PHE 107 CO 0.00 0.00 0.00 0.38 1.01 0.00 0.00 176.76 178.15 1ngq h ASP 108 N 6.46 -0.83 -3.12 4.37 3.04 -1.96 -3.45 116.42 120.93 1ngq h ASP 108 Ca 0.18 0.03 -0.66 0.00 -3.24 0.00 0.00 57.03 53.34 1ngq h ASP 108 Cb 0.84 0.21 -0.13 0.00 -1.04 0.00 0.00 39.33 39.21 1ngq h ASP 108 CO 1.03 -0.51 -0.57 -0.31 -2.04 0.00 0.00 179.24 176.85 1ngq s TYR 109 N -4.84 3.31 0.15 4.15 2.02 -1.26 -5.02 117.35 115.85 1ngq s TYR 109 Ca -0.14 0.25 0.09 0.00 -0.37 0.00 0.00 57.07 56.90 1ngq s TYR 109 Cb 0.01 -1.91 -0.04 0.00 -0.40 0.00 0.00 41.96 39.63 1ngq s TYR 109 CO 0.43 0.46 -0.21 -1.58 -1.57 0.00 0.00 175.55 173.08 1ngq s TRP 110 N -0.59 1.94 0.69 2.71 0.52 -1.26 -1.50 118.94 121.45 1ngq s TRP 110 Ca 0.11 -0.42 -0.06 0.00 0.02 0.00 0.00 56.10 55.74 1ngq s TRP 110 Cb -0.12 -1.00 0.06 0.00 -1.15 0.00 0.00 33.47 31.25 1ngq s TRP 110 CO 0.02 0.32 0.99 0.20 0.02 0.00 0.00 176.95 178.50 1ngq s GLY 111 N -2.37 1.69 0.00 0.98 0.00 -0.62 -4.66 107.32 102.35 1ngq s GLY 111 Ca 0.13 -0.95 0.21 0.00 0.00 0.00 0.00 44.72 44.12 1ngq s GLY 111 CO 0.06 -0.56 1.62 -1.06 0.00 0.00 0.00 173.10 173.17 1ngq n GLN 112 N -2.86 1.50 -0.52 2.90 6.02 -1.26 -4.72 117.38 118.44 1ngq n GLN 112 Ca 0.08 -0.74 0.00 0.00 -0.01 0.00 0.00 57.00 56.33 1ngq n GLN 112 Cb 0.60 -1.37 0.00 0.00 1.02 0.00 0.00 30.24 30.49 1ngq n GLN 112 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ngq n GLY 113 N 1.03 -3.39 3.50 1.08 0.00 -1.26 -4.97 105.19 101.19 1ngq n GLY 113 Ca 0.16 -1.08 -0.34 0.00 0.00 0.00 0.00 46.02 44.76 1ngq n GLY 113 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ngq s THR 114 N -3.37 4.12 -0.37 2.61 2.01 -1.04 -4.60 115.64 115.00 1ngq s THR 114 Ca 0.00 -0.27 -0.22 0.00 0.31 0.00 0.00 61.69 61.51 1ngq s THR 114 Cb 0.00 -2.84 0.01 0.00 0.01 0.00 0.00 72.50 69.68 1ngq s THR 114 CO 0.00 0.45 0.75 -0.89 -0.69 0.00 0.00 174.62 174.24 1ngq s THR 115 N 0.67 4.77 -0.18 -0.82 2.01 -0.03 -2.02 115.64 120.05 1ngq s THR 115 Ca -0.00 0.76 -0.17 0.00 0.31 0.00 0.00 61.69 62.59 1ngq s THR 115 Cb -0.14 -4.19 -0.04 0.00 0.01 0.00 0.00 72.50 68.15 1ngq s THR 115 CO 0.02 -0.43 0.44 -0.22 -0.69 0.00 0.00 174.62 173.75 1ngq s LEU 116 N 3.01 4.19 -0.18 4.42 2.96 0.71 -1.12 118.68 132.67 1ngq s LEU 116 Ca 0.29 0.64 0.00 0.00 -0.22 0.00 0.00 54.13 54.84 1ngq s LEU 116 Cb -0.13 -2.60 0.01 0.00 0.50 0.00 0.00 46.19 43.96 1ngq s LEU 116 CO 0.17 -0.07 -0.17 -0.89 -1.32 0.00 0.00 176.35 174.07 1ngq s THR 117 N 1.14 2.42 -0.29 3.68 2.01 -0.47 -1.59 115.64 122.54 1ngq s THR 117 Ca 0.22 -0.83 -0.07 0.00 0.31 0.00 0.00 61.69 61.32 1ngq s THR 117 Cb -0.15 -2.03 -0.00 0.00 0.01 0.00 0.00 72.50 70.33 1ngq s THR 117 CO 0.09 0.52 0.09 -0.69 -0.69 0.00 0.00 174.62 173.93 1ngq s VAL 118 N 1.17 4.12 -0.16 3.82 1.01 -1.26 -2.14 120.40 126.95 1ngq s VAL 118 Ca 0.01 -0.55 -0.23 0.00 0.00 0.00 0.00 61.98 61.22 1ngq s VAL 118 Cb -0.14 -3.08 0.06 0.00 0.00 0.00 0.00 36.38 33.22 1ngq s VAL 118 CO -0.07 0.13 0.59 -0.55 0.00 0.00 0.00 175.10 175.20 1ngq s SER 119 N 1.54 -0.59 0.02 3.32 0.15 -0.66 -4.32 113.70 113.15 1ngq s SER 119 Ca 0.04 0.99 0.26 0.00 0.70 0.00 0.00 55.95 57.94 1ngq s SER 119 Cb -0.17 0.98 0.75 0.00 -1.71 0.00 0.00 66.02 65.87 1ngq s SER 119 CO 0.03 -0.33 1.59 -1.54 1.20 0.00 0.00 173.24 174.19 1ngq n SER 120 N 2.16 0.36 -4.79 5.45 3.41 -1.26 -4.43 113.62 114.52 1ngq n SER 120 Ca -0.16 0.05 -0.31 0.00 -0.26 0.00 0.00 58.87 58.20 1ngq n SER 120 Cb 0.56 -0.04 0.08 0.00 -0.26 0.00 0.00 64.21 64.55 1ngq n SER 120 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ngq s ALA 121 N -3.02 2.38 0.20 7.33 0.00 -1.26 -5.07 121.76 122.33 1ngq s ALA 121 Ca 0.12 0.18 0.08 0.00 0.00 0.00 0.00 51.96 52.34 1ngq s ALA 121 Cb 0.18 -3.23 -0.04 0.00 0.00 0.00 0.00 23.12 20.02 1ngq s ALA 121 CO 0.64 -1.59 -0.04 0.15 0.00 0.00 0.00 175.76 174.92 1ngq s LYS 122 N -4.96 2.24 -0.47 0.00 -0.14 -1.26 -5.04 119.74 110.11 1ngq s LYS 122 Ca 0.60 -1.25 -0.44 0.00 -1.36 0.00 0.00 55.97 53.52 1ngq s LYS 122 Cb -0.16 -2.23 -0.19 0.00 -1.68 0.00 0.00 37.83 33.57 1ngq s LYS 122 CO 0.56 0.42 1.55 2.41 -0.76 0.00 0.00 175.35 179.53 1ngq n THR 123 N -0.25 0.00 -3.74 2.17 -1.04 -1.26 -4.73 114.28 105.43 1ngq n THR 123 Ca -0.09 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 61.69 1ngq n THR 123 Cb 0.56 -0.47 -0.17 0.00 -1.82 0.00 0.00 70.33 68.42 1ngq n THR 123 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1ngq s THR 124 N 3.05 0.29 0.49 12.58 2.01 0.47 -4.94 115.64 129.59 1ngq s THR 124 Ca 1.00 0.08 -0.20 0.00 0.31 0.00 0.00 61.69 62.88 1ngq s THR 124 Cb -1.42 -0.53 -0.08 0.00 0.01 0.00 0.00 72.50 70.48 1ngq s THR 124 CO 0.77 0.17 1.06 -2.16 -0.69 0.00 0.00 174.62 173.76 1ngq s PRO 125 N 2.00 3.75 0.93 4.92 0.04 -1.26 0.10 135.00 145.48 1ngq s PRO 125 Ca 0.04 1.42 -0.12 0.00 0.04 0.00 0.00 61.00 62.38 1ngq s PRO 125 Cb -0.13 -2.11 0.15 0.00 0.04 0.00 0.00 34.50 32.45 1ngq s PRO 125 CO -0.05 -0.49 1.10 -1.25 0.04 0.00 0.00 177.00 176.36 1ngq s PRO 126 N -3.19 0.95 -0.36 0.56 0.04 -1.26 -4.55 135.00 127.19 1ngq s PRO 126 Ca 0.68 0.52 0.03 0.00 0.04 0.00 0.00 61.00 62.27 1ngq s PRO 126 Cb -0.18 -1.80 0.11 0.00 0.04 0.00 0.00 34.50 32.67 1ngq s PRO 126 CO 0.22 -2.38 0.09 -1.12 0.04 0.00 0.00 177.00 173.85 1ngq s SER 127 N -3.65 4.54 0.09 6.66 0.01 -0.99 -4.95 113.70 115.41 1ngq s SER 127 Ca 0.64 -2.20 -0.30 0.00 1.31 0.00 0.00 55.95 55.40 1ngq s SER 127 Cb -0.17 -1.47 -0.05 0.00 0.21 0.00 0.00 66.02 64.53 1ngq s SER 127 CO 0.56 -0.36 0.95 -0.69 0.41 0.00 0.00 173.24 174.11 1ngq s VAL 128 N 0.84 4.56 -0.00 3.43 1.01 -1.26 -2.75 120.40 126.23 1ngq s VAL 128 Ca 0.12 2.04 0.04 0.00 0.00 0.00 0.00 61.98 64.18 1ngq s VAL 128 Cb -0.20 -4.31 -0.01 0.00 0.00 0.00 0.00 36.38 31.86 1ngq s VAL 128 CO -0.10 0.30 -0.13 -0.31 0.00 0.00 0.00 175.10 174.87 1ngq s TYR 129 N 0.10 1.16 -0.08 5.22 2.02 -0.11 -4.98 117.35 120.67 1ngq s TYR 129 Ca 0.47 -0.24 -0.19 0.00 -0.37 0.00 0.00 57.07 56.74 1ngq s TYR 129 Cb -0.23 -0.73 -0.05 0.00 -0.40 0.00 0.00 41.96 40.55 1ngq s TYR 129 CO 0.29 -0.01 0.51 -1.25 -1.57 0.00 0.00 175.55 173.52 1ngq s PRO 130 N -0.44 4.30 -0.53 -1.71 0.04 -1.26 -0.94 135.00 134.46 1ngq s PRO 130 Ca 0.04 0.54 -0.08 0.00 0.04 0.00 0.00 61.00 61.54 1ngq s PRO 130 Cb -0.05 -3.39 0.14 0.00 0.04 0.00 0.00 34.50 31.23 1ngq s PRO 130 CO -0.00 0.25 0.39 -0.51 0.04 0.00 0.00 177.00 177.17 1ngq s LEU 131 N 0.29 5.68 0.05 -3.56 1.43 -0.29 -4.97 118.68 117.30 1ngq s LEU 131 Ca 0.28 -2.19 0.01 0.00 -1.03 0.00 0.00 54.13 51.20 1ngq s LEU 131 Cb -0.16 -1.98 -0.04 0.00 0.03 0.00 0.00 46.19 44.04 1ngq s LEU 131 CO 0.13 -0.60 0.10 0.00 0.23 0.00 0.00 176.35 176.20 1ngq s ALA 132 N 0.94 3.64 1.22 4.21 0.00 -1.26 -2.07 121.76 128.43 1ngq s ALA 132 Ca 0.09 -0.94 -0.20 0.00 0.00 0.00 0.00 51.96 50.92 1ngq s ALA 132 Cb -0.23 -1.54 0.29 0.00 0.00 0.00 0.00 23.12 21.64 1ngq s ALA 132 CO -0.03 0.74 1.12 -1.25 0.00 0.00 0.00 175.76 176.35 1ngq s PRO 133 N -2.17 -1.35 -0.39 0.00 0.04 -1.26 -4.85 135.00 125.03 1ngq s PRO 133 Ca 0.28 -0.16 0.01 0.00 0.04 0.00 0.00 61.00 61.17 1ngq s PRO 133 Cb -0.12 -1.59 0.15 0.00 0.04 0.00 0.00 34.50 32.98 1ngq s PRO 133 CO 0.20 -3.78 0.25 0.20 0.04 0.00 0.00 177.00 173.91 1ngq s GLY 134 N -4.00 1.10 0.00 0.56 0.00 -1.26 -4.52 107.32 99.20 1ngq s GLY 134 Ca 0.72 -2.15 0.00 0.00 0.00 0.00 0.00 44.72 43.29 1ngq s GLY 134 CO 0.56 2.00 0.00 -1.26 0.00 0.00 0.00 173.10 174.40 1ngq n SER 135 N 3.64 0.00 -0.28 1.64 2.88 -1.26 -5.23 113.62 115.01 1ngq n SER 135 Ca 0.16 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.67 1ngq n SER 135 Cb 0.39 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.88 1ngq n SER 135 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1ngq h SER 141 N 0.00 -1.24 -3.39 -3.46 0.87 -1.99 -3.54 113.55 100.81 1ngq h SER 141 Ca 0.00 0.26 -0.68 0.00 -1.23 0.00 0.00 61.79 60.15 1ngq h SER 141 Cb 0.00 0.64 -0.15 0.00 -0.44 0.00 0.00 62.40 62.45 1ngq h SER 141 CO 0.00 -0.30 -0.64 -0.04 -0.53 0.00 0.00 176.83 175.33 1ngq s MET 142 N -5.99 2.89 0.04 2.24 1.00 -1.26 0.47 119.30 118.68 1ngq s MET 142 Ca -0.14 -0.49 0.09 0.00 0.00 0.00 0.00 55.69 55.15 1ngq s MET 142 Cb 0.18 -2.73 -0.03 0.00 0.00 0.00 0.00 34.83 32.26 1ngq s MET 142 CO 0.71 0.67 -0.26 0.54 0.00 0.00 0.00 175.02 176.69 1ngq s VAL 143 N -0.93 2.20 -0.19 -6.03 0.11 -0.51 -4.82 120.40 110.23 1ngq s VAL 143 Ca 0.15 -1.34 -0.05 0.00 -2.93 0.00 0.00 61.98 57.81 1ngq s VAL 143 Cb -0.11 -1.85 -0.03 0.00 -1.53 0.00 0.00 36.38 32.86 1ngq s VAL 143 CO 0.04 0.39 -0.00 -0.89 -3.33 0.00 0.00 175.10 171.31 1ngq s THR 144 N -0.80 4.00 0.33 5.04 2.01 -1.26 -2.03 115.64 122.93 1ngq s THR 144 Ca 0.12 -0.30 0.08 0.00 0.31 0.00 0.00 61.69 61.90 1ngq s THR 144 Cb -0.10 -2.79 -0.04 0.00 0.01 0.00 0.00 72.50 69.57 1ngq s THR 144 CO 0.02 0.45 0.15 -0.76 -0.69 0.00 0.00 174.62 173.79 1ngq s LEU 145 N 0.80 3.31 0.16 4.42 1.43 0.85 -4.57 118.68 125.09 1ngq s LEU 145 Ca 0.00 -0.72 -0.24 0.00 -1.03 0.00 0.00 54.13 52.14 1ngq s LEU 145 Cb -0.14 -1.81 0.06 0.00 0.03 0.00 0.00 46.19 44.33 1ngq s LEU 145 CO 0.02 -0.28 0.87 -0.83 0.23 0.00 0.00 176.35 176.36 1ngq s GLY 146 N -3.85 -0.25 0.02 -3.19 0.00 -0.88 -0.81 107.32 98.35 1ngq s GLY 146 Ca 0.37 0.16 0.05 0.00 0.00 0.00 0.00 44.72 45.30 1ngq s GLY 146 CO 0.23 0.03 -0.15 0.00 0.00 0.00 0.00 173.10 173.21 1ngq s LEU 148 N -0.81 3.14 -0.51 0.00 2.96 -0.11 -1.04 118.68 122.30 1ngq s LEU 148 Ca 0.04 -0.32 -0.08 0.00 -0.22 0.00 0.00 54.13 53.56 1ngq s LEU 148 Cb -0.07 -1.82 0.13 0.00 0.50 0.00 0.00 46.19 44.93 1ngq s LEU 148 CO 0.01 -0.03 0.37 -0.69 -1.32 0.00 0.00 176.35 174.69 1ngq s VAL 149 N 1.54 4.11 -0.04 1.68 1.01 0.33 -0.94 120.40 128.09 1ngq s VAL 149 Ca 0.06 -2.07 0.02 0.00 0.00 0.00 0.00 61.98 59.99 1ngq s VAL 149 Cb -0.15 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.50 1ngq s VAL 149 CO -0.00 -0.80 -0.05 -0.75 0.00 0.00 0.00 175.10 173.49 1ngq s LYS 150 N 1.01 2.70 -1.04 2.72 2.20 -1.11 -0.68 119.74 125.54 1ngq s LYS 150 Ca 0.09 -0.60 -0.09 0.00 -0.36 0.00 0.00 55.97 55.00 1ngq s LYS 150 Cb -0.23 -2.58 -0.05 0.00 -1.51 0.00 0.00 37.83 33.46 1ngq s LYS 150 CO -0.02 0.64 0.86 0.41 -0.36 0.00 0.00 175.35 176.88 1ngq n GLY 151 N 1.89 -1.13 3.60 5.54 0.00 0.05 -2.35 105.19 112.78 1ngq n GLY 151 Ca -0.17 0.54 -0.27 0.00 0.00 0.00 0.00 46.02 46.13 1ngq n GLY 151 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ngq s TYR 152 N -3.36 2.49 -0.29 1.61 -0.85 -0.38 -4.53 117.35 112.03 1ngq s TYR 152 Ca 0.41 -0.58 -0.25 0.00 -0.52 0.00 0.00 57.07 56.14 1ngq s TYR 152 Cb -0.08 -1.61 0.15 0.00 0.38 0.00 0.00 41.96 40.79 1ngq s TYR 152 CO 0.78 0.48 1.20 0.12 -1.52 0.00 0.00 175.55 176.61 1ngq s PHE 153 N -2.65 -0.29 0.00 -3.49 2.19 0.28 -1.77 117.98 112.25 1ngq s PHE 153 Ca 0.34 0.71 0.00 0.00 0.33 0.00 0.00 56.93 58.31 1ngq s PHE 153 Cb 0.06 0.42 0.00 0.00 -1.31 0.00 0.00 43.02 42.18 1ngq s PHE 153 CO 0.18 -0.15 0.00 -0.35 1.83 0.00 0.00 175.22 176.73 1ngq n PRO 154 N 1.89 0.62 -3.05 10.12 -0.04 -1.26 0.18 135.00 143.46 1ngq n PRO 154 Ca -0.11 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.02 1ngq n PRO 154 Cb 0.56 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.96 1ngq n PRO 154 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1ngq s GLU 155 N -1.56 4.08 0.12 0.54 2.56 -1.26 -4.79 118.70 118.39 1ngq s GLU 155 Ca 0.00 0.80 0.01 0.00 0.00 0.00 0.00 54.97 55.79 1ngq s GLU 155 Cb 0.00 -2.37 0.01 0.00 2.00 0.00 0.00 34.13 33.77 1ngq s GLU 155 CO 0.00 0.11 0.09 -0.35 -0.56 0.00 0.00 175.26 174.55 1ngq n PRO 156 N -0.41 1.30 -4.11 4.30 -0.04 -1.26 -4.94 135.00 129.84 1ngq n PRO 156 Ca 0.04 -0.78 -0.12 0.00 -0.04 0.00 0.00 63.50 62.61 1ngq n PRO 156 Cb 0.53 0.08 -0.11 0.00 -0.04 0.00 0.00 33.50 33.97 1ngq n PRO 156 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1ngq s VAL 157 N -0.60 0.59 -0.10 0.52 -7.23 -1.26 -4.38 120.40 107.95 1ngq s VAL 157 Ca 0.07 -1.51 0.02 0.00 -1.81 0.00 0.00 61.98 58.75 1ngq s VAL 157 Cb -0.01 -1.15 -0.01 0.00 0.56 0.00 0.00 36.38 35.77 1ngq s VAL 157 CO 0.04 -0.64 -0.17 -0.89 -0.31 0.00 0.00 175.10 173.13 1ngq s THR 158 N -2.54 2.73 -0.05 5.32 2.01 -0.14 -4.97 115.64 118.00 1ngq s THR 158 Ca 0.01 -0.80 0.05 0.00 0.31 0.00 0.00 61.69 61.26 1ngq s THR 158 Cb -0.02 -2.09 -0.02 0.00 0.01 0.00 0.00 72.50 70.38 1ngq s THR 158 CO -0.02 0.55 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.56 1ngq s VAL 159 N 0.03 2.52 0.02 3.82 1.01 -1.26 -1.74 120.40 124.80 1ngq s VAL 159 Ca -0.06 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.01 1ngq s VAL 159 Cb -0.15 -1.94 -0.01 0.00 0.00 0.00 0.00 36.38 34.27 1ngq s VAL 159 CO 0.05 0.58 -0.03 -0.89 0.00 0.00 0.00 175.10 174.80 1ngq s THR 160 N -0.50 0.19 -0.14 3.92 2.01 -0.29 -4.99 115.64 115.84 1ngq s THR 160 Ca 0.06 -0.68 -0.02 0.00 0.31 0.00 0.00 61.69 61.36 1ngq s THR 160 Cb -0.11 -0.28 -0.02 0.00 0.01 0.00 0.00 72.50 72.09 1ngq s THR 160 CO 0.01 -0.32 -0.06 0.26 -0.69 0.00 0.00 174.62 173.82 1ngq s TRP 161 N -1.01 2.97 -1.52 4.92 0.52 -1.26 -0.12 118.94 123.45 1ngq s TRP 161 Ca -0.10 -0.34 -0.11 0.00 0.02 0.00 0.00 56.10 55.57 1ngq s TRP 161 Cb -0.07 -1.90 0.08 0.00 -1.15 0.00 0.00 33.47 30.42 1ngq s TRP 161 CO -0.00 -0.03 0.82 0.09 0.02 0.00 0.00 176.95 177.84 1ngq n ASN 162 N 3.38 -3.31 -1.99 2.95 3.02 0.14 -1.19 115.26 118.26 1ngq n ASN 162 Ca -0.18 -0.86 -0.14 0.00 -0.03 0.00 0.00 54.58 53.37 1ngq n ASN 162 Cb 0.53 -3.57 -0.03 0.00 -0.61 0.00 0.00 39.78 36.09 1ngq n ASN 162 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1ngq n SER 163 N -2.85 -4.16 0.00 6.41 7.64 -1.26 -0.97 113.62 118.43 1ngq n SER 163 Ca -0.05 0.24 0.00 0.00 1.01 0.00 0.00 58.87 60.06 1ngq n SER 163 Cb 0.56 -3.64 0.00 0.00 -1.01 0.00 0.00 64.21 60.12 1ngq n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ngq n GLY 164 N -0.60 2.30 0.30 0.23 0.00 -0.33 -4.93 105.19 102.16 1ngq n GLY 164 Ca -0.16 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.94 1ngq n GLY 164 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1ngq h SER 165 N 0.51 0.40 -3.41 1.61 0.02 -1.05 -3.33 113.55 108.30 1ngq h SER 165 Ca 0.00 0.11 -0.67 0.00 -0.84 0.00 0.00 61.79 60.40 1ngq h SER 165 Cb 0.00 0.07 -0.16 0.00 0.14 0.00 0.00 62.40 62.44 1ngq h SER 165 CO 0.00 0.13 0.10 -0.76 -1.14 0.00 0.00 176.83 175.16 1ngq s LEU 166 N -10.42 4.70 0.00 5.07 1.43 -1.02 -4.84 118.68 113.59 1ngq s LEU 166 Ca -0.12 -0.61 0.00 0.00 -1.03 0.00 0.00 54.13 52.37 1ngq s LEU 166 Cb 0.22 -2.59 0.00 0.00 0.03 0.00 0.00 46.19 43.86 1ngq s LEU 166 CO 0.77 -0.85 0.00 -1.54 0.23 0.00 0.00 176.35 174.97 1ngq n SER 167 N 6.27 0.82 -4.75 2.29 3.41 -1.25 -4.15 113.62 116.26 1ngq n SER 167 Ca -0.04 -0.32 -0.35 0.00 -0.26 0.00 0.00 58.87 57.90 1ngq n SER 167 Cb 0.47 0.80 -0.08 0.00 -0.26 0.00 0.00 64.21 65.14 1ngq n SER 167 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1ngq s SER 168 N -0.96 6.22 -0.30 4.04 0.01 -1.26 -4.20 113.70 117.24 1ngq s SER 168 Ca 0.00 0.25 -0.00 0.00 1.31 0.00 0.00 55.95 57.51 1ngq s SER 168 Cb 0.00 -2.08 0.00 0.00 0.21 0.00 0.00 66.02 64.15 1ngq s SER 168 CO 0.00 0.21 0.01 0.61 0.41 0.00 0.00 173.24 174.48 1ngq n GLY 169 N 3.34 0.25 3.56 3.44 0.00 -1.26 -4.71 105.19 109.81 1ngq n GLY 169 Ca -0.16 -0.73 -0.34 0.00 0.00 0.00 0.00 46.02 44.79 1ngq n GLY 169 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ngq s VAL 170 N -2.23 4.35 -0.13 1.61 1.01 -1.26 -2.57 120.40 121.19 1ngq s VAL 170 Ca 0.01 -0.19 0.01 0.00 0.00 0.00 0.00 61.98 61.80 1ngq s VAL 170 Cb -0.00 -2.94 0.02 0.00 0.00 0.00 0.00 36.38 33.45 1ngq s VAL 170 CO 0.01 0.47 -0.14 -1.00 0.00 0.00 0.00 175.10 174.43 1ngq s HIS 171 N 0.44 2.06 -0.22 5.22 3.76 0.62 -4.99 115.29 122.18 1ngq s HIS 171 Ca -0.00 -1.09 0.00 0.00 -0.15 0.00 0.00 55.06 53.83 1ngq s HIS 171 Cb -0.13 -1.51 0.03 0.00 1.11 0.00 0.00 32.58 32.07 1ngq s HIS 171 CO 0.02 -0.59 -0.12 0.99 -0.85 0.00 0.00 174.74 174.18 1ngq s THR 172 N 1.32 2.47 0.56 1.30 2.01 -1.26 0.02 115.64 122.05 1ngq s THR 172 Ca 0.01 -1.05 -0.09 0.00 0.31 0.00 0.00 61.69 60.87 1ngq s THR 172 Cb -0.14 -2.19 -0.04 0.00 0.01 0.00 0.00 72.50 70.14 1ngq s THR 172 CO -0.07 0.31 0.93 -0.36 -0.69 0.00 0.00 174.62 174.74 1ngq s PHE 173 N 1.28 3.60 0.43 4.92 0.40 -0.86 -5.02 117.98 122.74 1ngq s PHE 173 Ca 0.01 1.09 -0.24 0.00 -0.60 0.00 0.00 56.93 57.20 1ngq s PHE 173 Cb -0.16 -2.55 -0.08 0.00 0.51 0.00 0.00 43.02 40.74 1ngq s PHE 173 CO -0.08 -0.53 1.13 -2.14 0.70 0.00 0.00 175.22 174.31 1ngq s PRO 174 N -5.00 3.93 0.55 0.24 0.02 -1.26 -4.58 135.00 128.89 1ngq s PRO 174 Ca 0.52 1.71 -0.16 0.00 0.02 0.00 0.00 61.00 63.09 1ngq s PRO 174 Cb -0.11 -2.49 -0.06 0.00 0.02 0.00 0.00 34.50 31.86 1ngq s PRO 174 CO 0.50 -0.39 1.01 0.00 -0.33 0.00 0.00 177.00 177.79 1ngq s ALA 175 N -1.55 2.98 -0.06 -1.55 0.00 -1.26 -4.80 121.76 115.52 1ngq s ALA 175 Ca 0.61 0.20 0.05 0.00 0.00 0.00 0.00 51.96 52.82 1ngq s ALA 175 Cb -0.27 -3.14 -0.01 0.00 0.00 0.00 0.00 23.12 19.70 1ngq s ALA 175 CO 0.33 -0.44 -0.22 0.14 0.00 0.00 0.00 175.76 175.58 1ngq s VAL 176 N -2.65 1.83 -0.67 0.00 -7.23 0.32 -4.92 120.40 107.08 1ngq s VAL 176 Ca 0.60 -0.93 -0.27 0.00 -1.81 0.00 0.00 61.98 59.56 1ngq s VAL 176 Cb -0.12 -1.56 0.02 0.00 0.56 0.00 0.00 36.38 35.28 1ngq s VAL 176 CO 0.35 0.51 1.38 -0.22 -0.31 0.00 0.00 175.10 176.82 1ngq s LEU 177 N 0.01 3.26 -0.59 1.32 2.96 -1.26 -1.55 118.68 122.82 1ngq s LEU 177 Ca -0.07 -0.13 0.03 0.00 -0.22 0.00 0.00 54.13 53.74 1ngq s LEU 177 Cb -0.14 -2.71 0.15 0.00 0.50 0.00 0.00 46.19 43.98 1ngq s LEU 177 CO 0.04 -1.86 0.36 -1.10 -1.32 0.00 0.00 176.35 172.48 1ngq s GLN 178 N 5.81 2.24 -0.16 1.98 -0.21 0.38 -4.76 119.66 124.93 1ngq s GLN 178 Ca 0.44 -2.80 -0.01 0.00 0.02 0.00 0.00 55.36 53.01 1ngq s GLN 178 Cb -0.09 -3.44 -0.01 0.00 1.00 0.00 0.00 33.01 30.47 1ngq s GLN 178 CO 0.19 -1.16 0.14 0.43 -2.12 0.00 0.00 175.29 172.77 1ngq n SER 179 N 2.88 -2.79 0.00 5.90 7.64 -1.26 -3.97 113.62 122.02 1ngq n SER 179 Ca 0.09 -0.10 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1ngq n SER 179 Cb 0.34 -1.35 0.00 0.00 -1.01 0.00 0.00 64.21 62.19 1ngq n SER 179 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1ngq n ASP 180 N -1.66 0.00 -4.21 6.43 8.00 -1.26 -4.93 116.55 118.92 1ngq n ASP 180 Ca -0.01 0.00 -0.25 0.00 0.71 0.00 0.00 54.79 55.24 1ngq n ASP 180 Cb 0.52 -1.47 -0.15 0.00 -0.02 0.00 0.00 41.12 40.00 1ngq n ASP 180 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1ngq s LEU 181 N 0.00 2.08 0.38 0.64 1.02 -1.25 -4.59 118.68 116.95 1ngq s LEU 181 Ca 0.00 -0.40 -0.07 0.00 0.02 0.00 0.00 54.13 53.67 1ngq s LEU 181 Cb 0.00 -0.96 -0.05 0.00 0.02 0.00 0.00 46.19 45.20 1ngq s LEU 181 CO 0.00 0.20 0.69 -0.31 0.02 0.00 0.00 176.35 176.95 1ngq s TYR 182 N -0.57 3.49 -0.04 0.29 2.02 -0.73 0.14 117.35 121.95 1ngq s TYR 182 Ca 0.07 0.85 -0.04 0.00 -0.37 0.00 0.00 57.07 57.59 1ngq s TYR 182 Cb -0.08 -2.29 0.01 0.00 -0.40 0.00 0.00 41.96 39.21 1ngq s TYR 182 CO 0.00 -0.03 0.11 0.99 -1.57 0.00 0.00 175.55 175.05 1ngq s THR 183 N -2.33 -0.01 0.04 -0.71 2.01 -0.59 -0.77 115.64 113.28 1ngq s THR 183 Ca 0.48 0.02 -0.19 0.00 0.31 0.00 0.00 61.69 62.31 1ngq s THR 183 Cb -0.10 -0.16 0.04 0.00 0.01 0.00 0.00 72.50 72.28 1ngq s THR 183 CO 0.33 0.01 0.43 -0.22 -0.69 0.00 0.00 174.62 174.48 1ngq s LEU 184 N 0.16 0.32 0.04 4.42 0.20 0.14 -0.52 118.68 123.45 1ngq s LEU 184 Ca -0.01 0.06 -0.01 0.00 0.69 0.00 0.00 54.13 54.86 1ngq s LEU 184 Cb -0.02 1.80 -0.03 0.00 -0.43 0.00 0.00 46.19 47.51 1ngq s LEU 184 CO -0.00 -0.66 -0.02 -0.94 -0.29 0.00 0.00 176.35 174.44 1ngq s SER 185 N -1.92 0.43 0.01 3.68 1.04 -1.26 0.12 113.70 115.80 1ngq s SER 185 Ca -0.06 -0.89 0.01 0.00 0.48 0.00 0.00 55.95 55.48 1ngq s SER 185 Cb -0.01 0.18 -0.01 0.00 0.10 0.00 0.00 66.02 66.29 1ngq s SER 185 CO -0.01 -0.55 -0.03 -0.55 0.98 0.00 0.00 173.24 173.08 1ngq s SER 186 N -2.63 0.29 0.05 7.02 0.15 -0.21 -2.02 113.70 116.35 1ngq s SER 186 Ca 0.02 -0.22 0.01 0.00 0.70 0.00 0.00 55.95 56.47 1ngq s SER 186 Cb 0.04 0.02 -0.03 0.00 -1.71 0.00 0.00 66.02 64.34 1ngq s SER 186 CO -0.08 -0.09 -0.06 -0.94 1.20 0.00 0.00 173.24 173.27 1ngq s SER 187 N -0.61 0.69 -0.01 5.45 1.04 0.10 0.12 113.70 120.49 1ngq s SER 187 Ca -0.05 -0.68 0.01 0.00 0.48 0.00 0.00 55.95 55.72 1ngq s SER 187 Cb -0.04 0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.16 1ngq s SER 187 CO -0.00 -0.33 -0.04 0.54 0.98 0.00 0.00 173.24 174.39 1ngq s VAL 188 N -2.13 0.37 -0.28 5.02 0.11 0.01 -0.27 120.40 123.23 1ngq s VAL 188 Ca -0.05 -0.17 -0.06 0.00 -2.93 0.00 0.00 61.98 58.77 1ngq s VAL 188 Cb -0.05 -0.34 0.01 0.00 -1.53 0.00 0.00 36.38 34.47 1ngq s VAL 188 CO -0.02 0.12 0.04 -0.89 -3.33 0.00 0.00 175.10 171.02 1ngq s THR 189 N 0.07 3.71 0.02 5.04 2.01 -1.06 -0.11 115.64 125.33 1ngq s THR 189 Ca -0.00 -0.72 0.07 0.00 0.31 0.00 0.00 61.69 61.34 1ngq s THR 189 Cb -0.04 -2.89 -0.03 0.00 0.01 0.00 0.00 72.50 69.56 1ngq s THR 189 CO -0.00 0.14 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.17 1ngq s VAL 190 N 1.47 2.56 1.03 3.82 1.01 -0.86 -4.76 120.40 124.66 1ngq s VAL 190 Ca 0.02 -1.16 -0.12 0.00 0.00 0.00 0.00 61.98 60.73 1ngq s VAL 190 Cb -0.17 -2.02 0.19 0.00 0.00 0.00 0.00 36.38 34.38 1ngq s VAL 190 CO 0.01 0.42 0.96 -0.81 0.00 0.00 0.00 175.10 175.68 1ngq n PRO 191 N 1.84 -1.24 -3.01 2.72 -0.04 -1.26 -1.42 135.00 132.60 1ngq n PRO 191 Ca -0.16 -0.31 -0.44 0.00 -0.04 0.00 0.00 63.50 62.54 1ngq n PRO 191 Cb 0.52 -2.21 -0.03 0.00 -0.04 0.00 0.00 33.50 31.74 1ngq n PRO 191 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ngq s SER 192 N -2.45 6.57 0.00 3.54 0.15 1.71 -3.47 113.70 119.75 1ngq s SER 192 Ca 0.66 -2.01 0.00 0.00 0.70 0.00 0.00 55.95 55.30 1ngq s SER 192 Cb -0.23 -2.36 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 1ngq s SER 192 CO 0.62 -1.02 0.00 -1.20 1.20 0.00 0.00 173.24 172.84 1ngq n SER 193 N 6.18 0.00 0.24 5.45 7.64 -1.26 -4.92 113.62 126.95 1ngq n SER 193 Ca 0.17 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.90 1ngq n SER 193 Cb 0.48 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.60 1ngq n SER 193 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 1ngq h PRO 194 N 0.00 -0.58 -5.53 1.43 0.11 -1.91 -3.38 132.00 122.14 1ngq h PRO 194 Ca 0.00 0.04 -0.63 0.00 0.11 0.00 0.00 66.00 65.52 1ngq h PRO 194 Cb 0.00 0.13 -0.09 0.00 0.11 0.00 0.00 31.00 31.15 1ngq h PRO 194 CO 0.00 -0.29 -0.43 -0.46 -0.21 0.00 0.00 178.00 176.60 1ngq s TRP 195 N -5.25 3.53 -1.09 0.65 -0.00 -1.24 0.44 118.94 115.96 1ngq s TRP 195 Ca -0.15 0.52 0.12 0.00 -0.00 0.00 0.00 56.10 56.59 1ngq s TRP 195 Cb 0.03 -2.11 0.53 0.00 -0.00 0.00 0.00 33.47 31.92 1ngq s TRP 195 CO 0.57 0.50 1.39 -0.35 -0.00 0.00 0.00 176.95 179.05 1ngq n PRO 196 N 2.74 3.14 0.14 5.86 -0.04 -1.26 -4.81 135.00 140.77 1ngq n PRO 196 Ca -0.17 -2.09 -0.14 0.00 -0.04 0.00 0.00 63.50 61.06 1ngq n PRO 196 Cb 0.53 -1.79 -0.06 0.00 -0.04 0.00 0.00 33.50 32.14 1ngq n PRO 196 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1ngq h SER 197 N 2.93 -0.81 -3.43 3.54 0.02 -1.38 -3.41 113.55 111.01 1ngq h SER 197 Ca 0.00 0.09 -0.61 0.00 -0.84 0.00 0.00 61.79 60.43 1ngq h SER 197 Cb 1.21 0.29 -0.13 0.00 0.14 0.00 0.00 62.40 63.91 1ngq h SER 197 CO 0.21 -0.39 -0.45 -1.61 -1.14 0.00 0.00 176.83 173.44 1ngq s GLU 198 N -6.04 4.14 0.26 3.45 0.41 1.50 -5.08 118.70 117.35 1ngq s GLU 198 Ca -0.16 -0.17 -0.30 0.00 -0.41 0.00 0.00 54.97 53.93 1ngq s GLU 198 Cb 0.07 -3.49 -0.10 0.00 -1.78 0.00 0.00 34.13 28.83 1ngq s GLU 198 CO 0.64 0.15 1.45 0.95 -0.49 0.00 0.00 175.26 177.96 1ngq s THR 199 N 0.78 2.59 -0.15 3.63 -4.23 -1.26 -4.14 115.64 112.85 1ngq s THR 199 Ca 0.10 0.50 -0.00 0.00 -1.18 0.00 0.00 61.69 61.11 1ngq s THR 199 Cb -0.13 -3.32 -0.00 0.00 1.34 0.00 0.00 72.50 70.39 1ngq s THR 199 CO 0.02 0.08 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.36 1ngq s VAL 200 N -0.13 2.78 -0.04 2.29 1.01 -1.26 -4.99 120.40 120.06 1ngq s VAL 200 Ca 0.59 -0.73 0.03 0.00 0.00 0.00 0.00 61.98 61.86 1ngq s VAL 200 Cb -0.42 -2.18 0.01 0.00 0.00 0.00 0.00 36.38 33.78 1ngq s VAL 200 CO 0.45 0.51 -0.11 -0.89 0.00 0.00 0.00 175.10 175.07 1ngq s THR 201 N 0.77 0.95 -0.06 3.92 2.01 -1.26 0.71 115.64 122.68 1ngq s THR 201 Ca -0.06 -0.42 -0.02 0.00 0.31 0.00 0.00 61.69 61.50 1ngq s THR 201 Cb -0.15 -0.85 -0.04 0.00 0.01 0.00 0.00 72.50 71.47 1ngq s THR 201 CO 0.01 0.30 0.07 0.00 -0.69 0.00 0.00 174.62 174.31 1ngq s ASN 203 N -1.31 3.28 -0.18 0.00 -0.87 0.84 -0.82 114.94 115.89 1ngq s ASN 203 Ca 0.18 -0.61 -0.01 0.00 -1.57 0.00 0.00 52.86 50.85 1ngq s ASN 203 Cb -0.12 -1.51 -0.00 0.00 -0.02 0.00 0.00 41.25 39.60 1ngq s ASN 203 CO 0.08 0.01 -0.11 -0.69 -2.57 0.00 0.00 177.10 173.82 1ngq s VAL 204 N 1.25 2.96 -0.08 1.60 1.01 0.13 -1.14 120.40 126.13 1ngq s VAL 204 Ca 0.04 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.39 1ngq s VAL 204 Cb -0.13 -2.28 -0.02 0.00 0.00 0.00 0.00 36.38 33.94 1ngq s VAL 204 CO -0.10 0.49 -0.16 0.00 0.00 0.00 0.00 175.10 175.33 1ngq s ALA 205 N 0.99 2.57 -0.34 5.51 0.00 -0.71 0.16 121.76 129.94 1ngq s ALA 205 Ca -0.01 -0.96 -0.01 0.00 0.00 0.00 0.00 51.96 50.98 1ngq s ALA 205 Cb -0.15 -1.00 0.13 0.00 0.00 0.00 0.00 23.12 22.10 1ngq s ALA 205 CO -0.01 0.43 0.18 -1.58 0.00 0.00 0.00 175.76 174.78 1ngq s HIS 206 N -0.29 0.74 0.01 0.00 2.46 0.12 -0.96 115.29 117.37 1ngq s HIS 206 Ca 0.02 -1.48 -0.03 0.00 0.47 0.00 0.00 55.06 54.04 1ngq s HIS 206 Cb -0.13 -1.01 -0.01 0.00 -0.13 0.00 0.00 32.58 31.30 1ngq s HIS 206 CO 0.03 -0.83 1.04 -1.35 -2.47 0.00 0.00 174.74 171.16 1ngq h PRO 207 N 7.43 -0.03 -0.71 2.88 0.11 -1.79 0.18 132.00 140.08 1ngq h PRO 207 Ca -0.03 0.00 0.14 0.00 0.11 0.00 0.00 66.00 66.23 1ngq h PRO 207 Cb 0.98 0.01 -0.13 0.00 0.11 0.00 0.00 31.00 31.96 1ngq h PRO 207 CO 0.34 -0.02 -0.18 0.00 -0.21 0.00 0.00 178.00 177.93 1ngq n ALA 208 N -2.78 0.17 1.30 -0.75 0.00 -1.26 0.17 120.51 117.35 1ngq n ALA 208 Ca -0.00 0.78 0.13 0.00 0.00 0.00 0.00 53.44 54.35 1ngq n ALA 208 Cb 0.03 -0.47 0.35 0.00 0.00 0.00 0.00 19.45 19.36 1ngq n ALA 208 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1ngq n SER 209 N -5.15 1.95 -3.22 0.00 3.41 -1.04 -4.96 113.62 104.61 1ngq n SER 209 Ca 0.11 -1.60 -0.23 0.00 -0.26 0.00 0.00 58.87 56.89 1ngq n SER 209 Cb 0.35 0.04 0.02 0.00 -0.26 0.00 0.00 64.21 64.36 1ngq n SER 209 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1ngq n SER 210 N 0.46 -5.07 -4.93 4.04 7.64 0.44 -4.98 113.62 111.23 1ngq n SER 210 Ca 0.16 -0.35 -0.27 0.00 1.01 0.00 0.00 58.87 59.42 1ngq n SER 210 Cb 0.44 -4.12 -0.03 0.00 -1.01 0.00 0.00 64.21 59.49 1ngq n SER 210 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1ngq s THR 211 N -3.08 5.14 -0.19 0.44 2.01 -0.54 -4.93 115.64 114.50 1ngq s THR 211 Ca 0.37 -0.30 -0.06 0.00 0.31 0.00 0.00 61.69 62.01 1ngq s THR 211 Cb -0.18 -3.76 0.09 0.00 0.01 0.00 0.00 72.50 68.66 1ngq s THR 211 CO 0.45 -0.28 0.38 -0.54 -0.69 0.00 0.00 174.62 173.94 1ngq s LYS 212 N -3.57 0.28 0.01 4.92 1.02 -1.25 0.12 119.74 121.26 1ngq s LYS 212 Ca 0.40 0.93 0.04 0.00 0.02 0.00 0.00 55.97 57.36 1ngq s LYS 212 Cb -0.11 0.19 -0.01 0.00 -0.52 0.00 0.00 37.83 37.38 1ngq s LYS 212 CO 0.30 -0.29 -0.13 0.08 -0.92 0.00 0.00 175.35 174.40 1ngq s VAL 213 N 2.56 1.03 -0.05 3.17 1.01 0.12 -5.00 120.40 123.25 1ngq s VAL 213 Ca -0.00 -0.71 0.06 0.00 0.00 0.00 0.00 61.98 61.33 1ngq s VAL 213 Cb -0.12 -0.89 -0.01 0.00 0.00 0.00 0.00 36.38 35.35 1ngq s VAL 213 CO -0.12 0.17 -0.25 -1.81 0.00 0.00 0.00 175.10 173.09 1ngq s ASP 214 N -0.62 3.10 -0.04 3.32 1.01 -1.26 0.18 116.67 122.35 1ngq s ASP 214 Ca 0.03 -0.50 -0.02 0.00 0.71 0.00 0.00 52.55 52.78 1ngq s ASP 214 Cb -0.06 -0.78 0.03 0.00 1.01 0.00 0.00 42.92 43.13 1ngq s ASP 214 CO 0.00 0.26 0.07 -0.75 0.21 0.00 0.00 175.17 174.96 1ngq s LYS 215 N -0.24 -0.05 0.01 8.23 2.47 0.00 -5.00 119.74 125.16 1ngq s LYS 215 Ca -0.01 0.37 -0.22 0.00 -1.56 0.00 0.00 55.97 54.55 1ngq s LYS 215 Cb -0.13 -0.43 -0.05 0.00 -1.46 0.00 0.00 37.83 35.76 1ngq s LYS 215 CO 0.03 -0.30 0.64 0.21 0.16 0.00 0.00 175.35 176.10 1ngq s LYS 216 N 1.97 4.37 -0.43 4.03 2.20 -1.26 -0.51 119.74 130.10 1ngq s LYS 216 Ca 0.02 0.83 -0.22 0.00 -0.36 0.00 0.00 55.97 56.24 1ngq s LYS 216 Cb -0.12 -3.35 0.02 0.00 -1.51 0.00 0.00 37.83 32.87 1ngq s LYS 216 CO -0.03 0.35 0.72 0.42 -0.36 0.00 0.00 175.35 176.44 1ngq s ILE 217 N -0.16 4.74 0.07 5.43 1.09 0.22 -4.95 121.20 127.64 1ngq s ILE 217 Ca 0.33 0.34 0.08 0.00 -1.10 0.00 0.00 60.65 60.30 1ngq s ILE 217 Cb -0.19 -4.26 -0.03 0.00 -1.06 0.00 0.00 42.46 36.92 1ngq s ILE 217 CO 0.19 -0.63 -0.21 0.54 -0.10 0.00 0.00 174.94 174.73 1ngq s VAL 218 N 3.06 2.59 0.47 2.92 0.11 -1.26 -4.42 120.40 123.87 1ngq s VAL 218 Ca 0.27 -1.36 -0.24 0.00 -2.93 0.00 0.00 61.98 57.72 1ngq s VAL 218 Cb -0.13 -2.10 -0.08 0.00 -1.53 0.00 0.00 36.38 32.54 1ngq s VAL 218 CO 0.20 0.27 1.25 -2.65 -3.33 0.00 0.00 175.10 170.85 1ngq n PRO 219 N 1.39 1.75 0.00 1.54 -0.02 -1.26 -4.67 135.00 133.73 1ngq n PRO 219 Ca -0.16 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 1ngq n PRO 219 Cb 0.52 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 1ngq n PRO 219 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02