#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2uua n ARG 3 N 0.00 -2.16 0.29 1.61 1.74 -1.26 -4.93 116.66 111.94 2uua n ARG 3 Ca 0.00 -0.29 -0.14 0.00 -0.77 0.00 0.00 57.85 56.65 2uua n ARG 3 Cb 0.00 -0.33 -0.07 0.00 -1.02 0.00 0.00 32.46 31.04 2uua n ARG 3 CO 0.00 0.00 0.00 -0.92 -1.52 0.00 0.00 177.63 175.19 2uua h TYR 4 N -2.12 -0.96 -5.29 -1.55 3.20 -1.94 -3.48 116.97 104.84 2uua h TYR 4 Ca -0.07 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.79 2uua h TYR 4 Cb 0.24 0.35 0.00 0.00 1.54 0.00 0.00 36.73 38.86 2uua h TYR 4 CO 0.00 -0.52 -0.36 -0.89 -1.64 0.00 0.00 178.16 174.75 2uua n ILE 5 N -4.59-10.83 -0.91 1.81 2.08 -1.26 -5.04 119.36 100.61 2uua n ILE 5 Ca -0.10 0.58 0.00 0.00 0.56 0.00 0.00 62.75 63.79 2uua n ILE 5 Cb 0.35 -7.20 0.00 0.00 -0.75 0.00 0.00 39.64 32.05 2uua n ILE 5 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2uua n GLY 6 N -0.70 -1.51 3.43 7.39 0.00 -1.26 -5.10 105.19 107.44 2uua n GLY 6 Ca 0.09 -1.05 -0.53 0.00 0.00 0.00 0.00 46.02 44.53 2uua n GLY 6 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2uua n PRO 7 N -0.20 0.85 -0.07 1.61 -0.02 -1.26 -4.86 135.00 131.05 2uua n PRO 7 Ca 0.00 0.24 -0.20 0.00 -2.02 0.00 0.00 63.50 61.52 2uua n PRO 7 Cb 0.00 -2.21 -0.12 0.00 -0.02 0.00 0.00 33.50 31.15 2uua n PRO 7 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 2uua h VAL 8 N 6.88 1.10 0.00 -1.45 -1.51 -1.99 -3.35 116.25 115.93 2uua h VAL 8 Ca -0.25 -2.27 0.00 0.00 -1.23 0.00 0.00 66.70 62.95 2uua h VAL 8 Cb 1.34 2.58 0.00 0.00 -2.13 0.00 0.00 31.29 33.08 2uua h VAL 8 CO 1.03 0.48 0.00 0.00 -1.23 0.00 0.00 177.57 177.85 2uua n ARG 10 N -1.33 0.18 0.03 0.00 1.85 -1.26 -2.63 116.66 113.51 2uua n ARG 10 Ca 0.02 0.27 -0.22 0.00 -1.00 0.00 0.00 57.85 56.91 2uua n ARG 10 Cb 0.04 -1.77 -0.14 0.00 -1.05 0.00 0.00 32.46 29.54 2uua n ARG 10 CO 0.00 0.00 0.00 -0.07 -0.01 0.00 0.00 177.63 177.55 2uua h LEU 11 N 0.00 0.48 -0.57 2.89 3.38 -1.29 -2.81 115.31 117.38 2uua h LEU 11 Ca 0.00 -0.90 0.12 0.00 0.09 0.00 0.00 57.88 57.18 2uua h LEU 11 Cb 0.53 -0.16 -0.09 0.00 0.09 0.00 0.00 40.66 41.03 2uua h LEU 11 CO 0.00 1.73 0.02 0.00 0.09 0.00 0.00 178.44 180.28 2uua h ARG 13 N 0.14 0.71 -0.31 0.00 3.08 -1.58 -1.66 114.38 114.75 2uua h ARG 13 Ca 0.30 -0.04 -0.13 0.00 0.07 0.00 0.00 59.98 60.17 2uua h ARG 13 Cb 0.47 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 2uua h ARG 13 CO -0.47 0.47 -0.35 -0.09 -1.07 0.00 0.00 179.97 178.46 2uua h ARG 14 N 0.73 0.69 -0.02 0.04 9.65 -0.98 -2.79 114.38 121.69 2uua h ARG 14 Ca 0.23 -0.33 0.00 0.00 -1.10 0.00 0.00 59.98 58.78 2uua h ARG 14 Cb -0.00 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.58 2uua h ARG 14 CO -0.09 0.93 0.00 0.39 2.80 0.00 0.00 179.97 184.00 2uua n GLU 15 N -4.06 1.22 -0.37 0.20 -0.58 -0.03 -4.84 120.64 112.18 2uua n GLU 15 Ca -0.01 -0.32 0.00 0.00 -0.42 0.00 0.00 57.16 56.41 2uua n GLU 15 Cb 0.50 -1.43 0.00 0.00 -0.57 0.00 0.00 31.44 29.93 2uua n GLU 15 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2uua n GLY 16 N 1.00 0.00 3.20 0.62 0.00 -0.65 -4.89 105.19 104.47 2uua n GLY 16 Ca 0.20 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.94 2uua n GLY 16 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2uua s VAL 17 N -0.97 1.65 0.05 1.61 1.01 -1.14 -5.00 120.40 117.62 2uua s VAL 17 Ca 0.00 -0.86 -0.30 0.00 0.00 0.00 0.00 61.98 60.81 2uua s VAL 17 Cb 0.00 -1.39 -0.08 0.00 0.00 0.00 0.00 36.38 34.90 2uua s VAL 17 CO 0.00 0.47 1.74 -0.75 0.00 0.00 0.00 175.10 176.56 2uua s LYS 18 N -0.22 4.17 0.12 2.72 2.20 -1.26 -4.58 119.74 122.90 2uua s LYS 18 Ca 0.01 2.41 0.07 0.00 -0.36 0.00 0.00 55.97 58.10 2uua s LYS 18 Cb -0.11 -3.77 -0.04 0.00 -1.51 0.00 0.00 37.83 32.41 2uua s LYS 18 CO 0.01 -0.81 -0.08 -0.51 -0.36 0.00 0.00 175.35 173.60 2uua s LEU 19 N 3.24 3.11 -0.90 5.43 1.43 -1.26 -5.04 118.68 124.69 2uua s LEU 19 Ca 0.78 -0.40 0.00 0.00 -1.03 0.00 0.00 54.13 53.48 2uua s LEU 19 Cb -0.40 -1.86 0.30 0.00 0.03 0.00 0.00 46.19 44.26 2uua s LEU 19 CO 0.34 0.15 1.32 -1.22 0.23 0.00 0.00 176.35 177.18 2uua n TYR 20 N 0.47 2.94 0.20 0.29 4.02 -1.26 -4.75 117.16 119.06 2uua n TYR 20 Ca -0.12 -3.13 0.06 0.00 -0.01 0.00 0.00 57.90 54.69 2uua n TYR 20 Cb 0.53 -0.97 0.40 0.00 -0.02 0.00 0.00 39.34 39.28 2uua n TYR 20 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 2uua h LEU 21 N 4.51 0.00 0.00 7.72 3.38 -1.94 -2.60 115.31 126.38 2uua h LEU 21 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 2uua h LEU 21 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2uua h LEU 21 CO 1.11 0.34 -0.81 0.29 0.09 0.00 0.00 178.44 179.47 2uua n LYS 22 N -3.67 1.88 0.00 1.13 5.02 -1.26 -4.52 118.16 116.74 2uua n LYS 22 Ca -0.01 -0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 2uua n LYS 22 Cb 0.45 -1.22 0.00 0.00 -0.02 0.00 0.00 35.03 34.23 2uua n LYS 22 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2uua n GLY 23 N 1.38 1.00 3.70 0.72 0.00 -0.98 -4.36 105.19 106.64 2uua n GLY 23 Ca 0.02 0.38 -0.33 0.00 0.00 0.00 0.00 46.02 46.10 2uua n GLY 23 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2uua s GLU 24 N 0.00 1.56 0.00 1.61 2.56 -1.26 -2.38 118.70 120.79 2uua s GLU 24 Ca 0.00 1.70 0.00 0.00 0.00 0.00 0.00 54.97 56.67 2uua s GLU 24 Cb 0.00 -1.77 0.00 0.00 2.00 0.00 0.00 34.13 34.36 2uua s GLU 24 CO 0.00 -2.26 0.00 -2.13 -0.56 0.00 0.00 175.26 170.31 2uua n ARG 25 N -3.45 0.00 -0.06 4.30 0.63 -1.26 -4.55 116.66 112.26 2uua n ARG 25 Ca 0.13 0.00 0.01 0.00 -0.92 0.00 0.00 57.85 57.07 2uua n ARG 25 Cb 0.51 -0.07 0.04 0.00 0.45 0.00 0.00 32.46 33.39 2uua n ARG 25 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2uua n TYR 27 N -0.13 0.00 -0.44 0.00 4.02 -1.26 -4.73 117.16 114.62 2uua n TYR 27 Ca 0.03 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.62 2uua n TYR 27 Cb 0.19 0.00 0.28 0.00 -0.02 0.00 0.00 39.34 39.79 2uua n TYR 27 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 2uua s SER 28 N -2.49 -0.54 0.00 7.72 0.01 -0.82 -4.76 113.70 112.82 2uua s SER 28 Ca 0.00 1.00 -0.03 0.00 1.31 0.00 0.00 55.95 58.23 2uua s SER 28 Cb 0.00 -1.47 -0.14 0.00 0.21 0.00 0.00 66.02 64.63 2uua s SER 28 CO 0.00 -5.06 2.81 -2.65 0.41 0.00 0.00 173.24 168.74 2uua n PRO 29 N -5.45 1.49 -1.78 12.44 -0.02 -1.26 -4.01 135.00 136.42 2uua n PRO 29 Ca 0.10 -0.50 -0.03 0.00 -2.02 0.00 0.00 63.50 61.05 2uua n PRO 29 Cb 0.59 -1.51 0.04 0.00 -0.02 0.00 0.00 33.50 32.60 2uua n PRO 29 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 2uua n LYS 30 N 2.01 0.62 0.00 -0.52 2.85 -1.26 -4.88 118.16 116.98 2uua n LYS 30 Ca 0.22 -0.86 0.00 0.00 -1.05 0.00 0.00 58.31 56.62 2uua n LYS 30 Cb 0.71 0.40 0.00 0.00 -0.65 0.00 0.00 35.03 35.49 2uua n LYS 30 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2uua n ALA 32 N -0.03 0.00 0.29 0.00 0.00 -1.26 -4.54 120.51 114.97 2uua n ALA 32 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 2uua n ALA 32 Cb 0.13 0.00 0.15 0.00 0.00 0.00 0.00 19.45 19.73 2uua n ALA 32 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 2uua n MET 33 N -0.49 0.10 -0.08 0.00 1.56 -1.26 -1.32 117.12 115.63 2uua n MET 33 Ca 0.00 0.20 -0.07 0.00 -0.27 0.00 0.00 57.70 57.56 2uua n MET 33 Cb 0.00 -1.50 -0.03 0.00 2.15 0.00 0.00 33.22 33.84 2uua n MET 33 CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 175.97 175.63 2uua n GLU 34 N -1.25 0.47 -3.57 2.12 4.71 -1.26 -4.33 120.64 117.53 2uua n GLU 34 Ca 0.03 0.48 -0.41 0.00 -0.01 0.00 0.00 57.16 57.25 2uua n GLU 34 Cb 0.04 -1.66 -0.11 0.00 -1.01 0.00 0.00 31.44 28.71 2uua n GLU 34 CO 0.00 0.00 0.00 -0.98 0.09 0.00 0.00 177.13 176.24 2uua s ARG 35 N -2.35 2.79 -0.10 3.49 1.70 -0.43 -4.49 118.95 119.56 2uua s ARG 35 Ca -0.18 -1.18 -0.00 0.00 -0.47 0.00 0.00 55.73 53.89 2uua s ARG 35 Cb 0.03 -3.79 -0.00 0.00 -0.57 0.00 0.00 34.95 30.62 2uua s ARG 35 CO 0.28 -0.78 0.09 0.54 -1.08 0.00 0.00 175.30 174.35 2uua n ARG 36 N 5.01 -0.19 -0.09 3.89 1.74 -1.23 -4.68 116.66 121.10 2uua n ARG 36 Ca -0.11 0.37 0.00 0.00 -0.77 0.00 0.00 57.85 57.34 2uua n ARG 36 Cb 0.45 -1.97 0.04 0.00 -1.02 0.00 0.00 32.46 29.96 2uua n ARG 36 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2uua n PRO 37 N -1.36 1.35 -4.15 5.56 -0.04 -1.23 -4.59 135.00 130.53 2uua n PRO 37 Ca -0.00 -0.31 -0.22 0.00 -0.04 0.00 0.00 63.50 62.93 2uua n PRO 37 Cb 0.51 -1.51 -0.05 0.00 -0.04 0.00 0.00 33.50 32.40 2uua n PRO 37 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 2uua s TYR 38 N -1.05 2.91 0.45 0.54 -0.85 -1.26 -4.73 117.35 113.37 2uua s TYR 38 Ca 0.05 -0.19 -0.20 0.00 -0.52 0.00 0.00 57.07 56.21 2uua s TYR 38 Cb 0.04 -1.38 -0.14 0.00 0.38 0.00 0.00 41.96 40.86 2uua s TYR 38 CO 0.01 0.51 0.17 -2.30 -1.52 0.00 0.00 175.55 172.43 2uua n PRO 39 N -1.09 0.17 -1.48 -3.49 -0.02 -1.11 -4.69 135.00 123.28 2uua n PRO 39 Ca -0.06 0.06 -0.29 0.00 -2.02 0.00 0.00 63.50 61.19 2uua n PRO 39 Cb 0.59 -1.18 0.12 0.00 -0.02 0.00 0.00 33.50 33.01 2uua n PRO 39 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2uua s PRO 40 N -1.24 1.43 0.00 0.52 0.04 -1.26 -3.96 135.00 130.52 2uua s PRO 40 Ca 0.61 0.49 0.00 0.00 0.04 0.00 0.00 61.00 62.13 2uua s PRO 40 Cb -0.57 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.11 2uua s PRO 40 CO 0.62 -2.04 0.00 0.41 0.04 0.00 0.00 177.00 176.02 2uua n GLY 41 N -1.96 0.46 0.00 0.56 0.00 -1.26 -4.08 105.19 98.90 2uua n GLY 41 Ca 0.07 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.31 2uua n GLY 41 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2uua n GLN 42 N 0.58 0.00 0.00 1.61 7.27 -1.26 -1.68 117.38 123.90 2uua n GLN 42 Ca 0.00 0.34 0.00 0.00 0.07 0.00 0.00 57.00 57.41 2uua n GLN 42 Cb 0.00 -1.59 0.00 0.00 2.41 0.00 0.00 30.24 31.06 2uua n GLN 42 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 2uua n HIS 43 N -1.33 0.00 0.18 3.69 -0.00 -1.26 -4.79 115.22 111.70 2uua n HIS 43 Ca 0.00 -0.12 0.04 0.00 -0.00 0.00 0.00 57.72 57.64 2uua n HIS 43 Cb 0.09 -0.01 0.22 0.00 -0.00 0.00 0.00 29.99 30.29 2uua n HIS 43 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.34 177.12 2uua h GLY 44 N 0.00 0.00 0.00 -1.41 0.00 -1.45 0.16 103.07 100.38 2uua h GLY 44 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2uua h GLY 44 CO 0.00 0.00 -1.40 -1.06 0.00 0.00 0.00 176.54 174.08 2uua n GLN 45 N -1.99 0.90 -0.60 4.80 6.02 -1.26 -3.65 117.38 121.60 2uua n GLN 45 Ca -0.01 -0.10 -0.30 0.00 -0.01 0.00 0.00 57.00 56.59 2uua n GLN 45 Cb 0.53 -1.28 0.20 0.00 1.02 0.00 0.00 30.24 30.72 2uua n GLN 45 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2uua n LYS 46 N -1.82 -1.46 -1.64 -1.09 5.02 0.57 -4.85 118.16 112.89 2uua n LYS 46 Ca -0.01 -0.38 -0.42 0.00 -2.02 0.00 0.00 58.31 55.47 2uua n LYS 46 Cb 0.32 -2.16 -0.03 0.00 -0.02 0.00 0.00 35.03 33.13 2uua n LYS 46 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2uua n ARG 47 N -4.10 2.53 -1.52 1.97 3.00 -1.26 -4.96 116.66 112.33 2uua n ARG 47 Ca 0.06 0.86 -0.36 0.00 -0.00 0.00 0.00 57.85 58.41 2uua n ARG 47 Cb 0.54 -3.11 0.09 0.00 0.00 0.00 0.00 32.46 29.98 2uua n ARG 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2uua n ALA 48 N 9.18 0.74 -2.51 5.13 0.00 -1.26 -5.01 120.51 126.78 2uua n ALA 48 Ca 0.24 -0.11 -0.32 0.00 0.00 0.00 0.00 53.44 53.25 2uua n ALA 48 Cb 0.43 -2.30 -0.12 0.00 0.00 0.00 0.00 19.45 17.46 2uua n ALA 48 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2uua s ARG 49 N -3.60 2.40 -0.49 0.00 0.52 -1.26 -5.03 118.95 111.49 2uua s ARG 49 Ca 0.80 -0.78 -0.35 0.00 -0.52 0.00 0.00 55.73 54.88 2uua s ARG 49 Cb -0.35 -2.36 -0.14 0.00 0.52 0.00 0.00 34.95 32.62 2uua s ARG 49 CO 0.44 0.60 2.28 -2.13 0.02 0.00 0.00 175.30 176.51 2uua n ARG 50 N 1.90 0.70 -1.44 3.54 0.00 -1.26 -4.86 116.66 115.24 2uua n ARG 50 Ca -0.16 0.16 -0.35 0.00 -0.00 0.00 0.00 57.85 57.50 2uua n ARG 50 Cb 0.52 -2.24 0.10 0.00 0.00 0.00 0.00 32.46 30.84 2uua n ARG 50 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.63 175.49 2uua s PRO 51 N 6.83 2.12 0.31 -0.14 0.02 -1.26 -5.00 135.00 137.88 2uua s PRO 51 Ca 1.14 1.85 -0.16 0.00 0.02 0.00 0.00 61.00 63.85 2uua s PRO 51 Cb -0.97 -1.82 -0.09 0.00 0.02 0.00 0.00 34.50 31.64 2uua s PRO 51 CO 0.50 -1.88 0.75 -1.54 -0.33 0.00 0.00 177.00 174.50 2uua s SER 52 N -1.87 6.83 0.36 2.53 1.04 -1.26 -4.82 113.70 116.51 2uua s SER 52 Ca 0.76 1.33 0.19 0.00 0.48 0.00 0.00 55.95 58.71 2uua s SER 52 Cb -0.31 -2.39 1.29 0.00 0.10 0.00 0.00 66.02 64.70 2uua s SER 52 CO 0.45 -0.18 1.59 0.44 0.98 0.00 0.00 173.24 176.53 2uua h ASP 53 N 2.42 0.32 0.52 7.02 5.19 -1.99 0.75 116.42 130.65 2uua h ASP 53 Ca -0.48 0.25 -0.03 0.00 -0.62 0.00 0.00 57.03 56.16 2uua h ASP 53 Cb 1.18 0.26 0.01 0.00 0.18 0.00 0.00 39.33 40.95 2uua h ASP 53 CO 0.65 -0.39 -0.25 0.22 -3.12 0.00 0.00 179.24 176.36 2uua h TYR 54 N 0.05 -0.64 -0.89 4.55 3.20 -2.00 -2.76 116.97 118.47 2uua h TYR 54 Ca 0.82 -0.02 0.16 0.00 3.14 0.00 0.00 58.73 62.84 2uua h TYR 54 Cb 2.12 0.21 -0.16 0.00 1.54 0.00 0.00 36.73 40.44 2uua h TYR 54 CO -0.03 -0.32 -0.29 0.00 -1.64 0.00 0.00 178.16 175.88 2uua h ALA 55 N -0.85 0.39 -0.01 1.82 0.00 -0.05 -0.38 119.26 120.18 2uua h ALA 55 Ca -0.07 0.31 0.03 0.00 0.00 0.00 0.00 54.91 55.18 2uua h ALA 55 Cb 0.61 0.79 -0.05 0.00 0.00 0.00 0.00 17.79 19.14 2uua h ALA 55 CO 0.12 -0.49 -0.27 0.28 0.00 0.00 0.00 179.25 178.88 2uua h VAL 56 N -0.02 0.39 -0.29 0.00 2.07 -0.39 -0.17 116.25 117.83 2uua h VAL 56 Ca 0.38 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.90 2uua h VAL 56 Cb 0.63 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 2uua h VAL 56 CO -0.92 0.00 0.16 0.03 0.02 0.00 0.00 177.57 176.87 2uua h ARG 57 N -0.41 0.41 0.12 1.57 3.08 -0.85 -1.38 114.38 116.91 2uua h ARG 57 Ca 0.07 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.08 2uua h ARG 57 Cb 0.50 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.43 2uua h ARG 57 CO -0.24 0.34 -0.46 1.25 -1.07 0.00 0.00 179.97 179.78 2uua h LEU 58 N 0.36 -1.39 -0.86 3.04 6.46 -0.84 0.14 115.31 122.22 2uua h LEU 58 Ca 0.10 0.15 0.22 0.00 -0.12 0.00 0.00 57.88 58.23 2uua h LEU 58 Cb 0.05 0.51 -0.13 0.00 -0.73 0.00 0.00 40.66 40.36 2uua h LEU 58 CO -0.02 -0.49 0.29 0.03 -0.62 0.00 0.00 178.44 177.64 2uua h ARG 59 N -0.67 0.29 -0.52 1.25 2.47 -0.91 0.34 114.38 116.64 2uua h ARG 59 Ca -0.01 -0.02 -0.04 0.00 -1.26 0.00 0.00 59.98 58.66 2uua h ARG 59 Cb 0.67 -0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 28.90 2uua h ARG 59 CO -0.25 0.19 0.18 1.49 0.56 0.00 0.00 179.97 182.15 2uua h GLU 60 N 0.30 0.79 0.04 0.04 4.57 -0.09 -0.65 114.58 119.57 2uua h GLU 60 Ca 0.53 -0.16 -0.00 0.00 -1.18 0.00 0.00 59.36 58.55 2uua h GLU 60 Cb 1.03 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.50 2uua h GLU 60 CO -0.58 0.72 -0.02 -0.22 -1.18 0.00 0.00 179.01 177.73 2uua h LYS 61 N 0.70 -0.05 -0.67 1.92 3.11 0.13 -2.55 116.57 119.17 2uua h LYS 61 Ca 0.17 0.00 0.10 0.00 -2.81 0.00 0.00 60.65 58.11 2uua h LYS 61 Cb 0.24 0.01 -0.12 0.00 -1.00 0.00 0.00 32.23 31.37 2uua h LYS 61 CO -0.01 0.22 -0.43 1.96 -2.81 0.00 0.00 179.45 178.38 2uua h GLN 62 N -0.32 -0.17 -0.11 1.90 1.08 -0.23 -0.97 115.11 116.29 2uua h GLN 62 Ca -0.01 0.01 0.02 0.00 -1.45 0.00 0.00 58.65 57.22 2uua h GLN 62 Cb 0.30 0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.74 2uua h GLN 62 CO 0.01 -0.11 -0.21 -0.22 -0.95 0.00 0.00 178.83 177.34 2uua h LYS 63 N -0.17 -0.18 -0.64 1.46 3.64 -0.98 0.62 116.57 120.32 2uua h LYS 63 Ca 0.21 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.68 2uua h LYS 63 Cb 0.56 0.04 -0.10 0.00 -0.41 0.00 0.00 32.23 32.31 2uua h LYS 63 CO -0.75 -0.12 -0.51 1.25 -2.27 0.00 0.00 179.45 177.05 2uua h LEU 64 N -0.19 -1.78 -0.71 5.20 7.12 -0.94 0.05 115.31 124.06 2uua h LEU 64 Ca 0.02 0.27 -0.04 0.00 0.13 0.00 0.00 57.88 58.26 2uua h LEU 64 Cb 0.25 0.78 -0.03 0.00 -0.53 0.00 0.00 40.66 41.13 2uua h LEU 64 CO -0.20 -0.33 0.27 -0.09 -0.13 0.00 0.00 178.44 177.95 2uua h ARG 65 N -0.22 1.07 0.00 1.25 2.43 -0.96 -2.08 114.38 115.87 2uua h ARG 65 Ca 0.15 -0.20 -0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2uua h ARG 65 Cb 0.54 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.92 2uua h ARG 65 CO -0.73 0.89 -0.00 0.00 -1.51 0.00 0.00 179.97 178.61 2uua h ARG 66 N 1.02 0.00 0.29 0.20 3.08 0.18 -1.91 114.38 117.24 2uua h ARG 66 Ca 0.23 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.27 2uua h ARG 66 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.28 2uua h ARG 66 CO -0.02 0.00 -0.14 0.82 -1.07 0.00 0.00 179.97 179.57 2uua h ILE 67 N 0.00 0.75 0.00 2.04 2.04 -0.32 -2.73 117.51 119.29 2uua h ILE 67 Ca -0.00 -0.46 0.00 0.00 1.00 0.00 0.00 64.86 65.40 2uua h ILE 67 Cb 0.02 0.99 0.00 0.00 -0.74 0.00 0.00 36.82 37.09 2uua h ILE 67 CO 0.00 0.09 0.00 -1.22 0.00 0.00 0.00 178.15 177.02 2uua n TYR 68 N -5.15 0.00 -3.99 1.37 4.02 -1.00 -4.91 117.16 107.50 2uua n TYR 68 Ca -0.10 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.53 2uua n TYR 68 Cb 0.24 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.54 2uua n TYR 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2uua n GLY 69 N 0.76 -0.25 3.90 2.72 0.00 -0.75 -4.98 105.19 106.59 2uua n GLY 69 Ca 0.19 0.15 -0.22 0.00 0.00 0.00 0.00 46.02 46.14 2uua n GLY 69 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2uua s ILE 70 N -3.87 4.89 0.48 -0.61 1.09 -1.20 -4.74 121.20 117.24 2uua s ILE 70 Ca 0.11 -1.13 -0.20 0.00 -1.10 0.00 0.00 60.65 58.33 2uua s ILE 70 Cb -0.06 -3.63 -0.09 0.00 -1.06 0.00 0.00 42.46 37.62 2uua s ILE 70 CO 0.89 -0.30 1.02 -0.94 -0.10 0.00 0.00 174.94 175.51 2uua s SER 71 N -3.80 6.46 0.25 3.58 1.04 -1.26 -4.82 113.70 115.15 2uua s SER 71 Ca 0.33 1.85 -0.04 0.00 0.48 0.00 0.00 55.95 58.57 2uua s SER 71 Cb -0.09 -2.55 0.36 0.00 0.10 0.00 0.00 66.02 63.84 2uua s SER 71 CO 0.27 -0.70 1.86 -0.08 0.98 0.00 0.00 173.24 175.57 2uua h GLU 72 N 1.55 1.00 0.43 4.02 4.57 -1.98 0.37 114.58 124.53 2uua h GLU 72 Ca -0.49 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 57.62 2uua h GLU 72 Cb 1.21 -0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 29.55 2uua h GLU 72 CO 0.59 0.66 -0.45 -0.09 -1.18 0.00 0.00 179.01 178.54 2uua h ARG 73 N 1.03 -0.86 -0.62 1.92 9.65 -1.99 0.41 114.38 123.92 2uua h ARG 73 Ca 0.39 0.06 0.04 0.00 -1.10 0.00 0.00 59.98 59.37 2uua h ARG 73 Cb 0.17 0.20 -0.05 0.00 -1.39 0.00 0.00 29.97 28.90 2uua h ARG 73 CO -0.17 -0.58 0.36 1.96 2.80 0.00 0.00 179.97 184.34 2uua h GLN 74 N -0.90 0.66 0.36 0.20 4.20 -1.83 -1.34 115.11 116.47 2uua h GLN 74 Ca -0.04 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.62 2uua h GLN 74 Cb 0.80 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 28.39 2uua h GLN 74 CO -0.08 0.44 -0.51 0.35 -0.67 0.00 0.00 178.83 178.36 2uua h PHE 75 N 0.68 -1.43 -0.82 2.96 3.57 0.09 -1.96 116.94 120.04 2uua h PHE 75 Ca 0.26 0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.89 2uua h PHE 75 Cb 0.10 0.58 -0.08 0.00 2.79 0.00 0.00 35.95 39.34 2uua h PHE 75 CO -0.07 -0.64 0.44 -0.09 -2.23 0.00 0.00 178.31 175.72 2uua h ARG 76 N -0.91 0.69 -0.67 1.11 9.65 0.08 -1.59 114.38 122.75 2uua h ARG 76 Ca -0.04 -0.04 -0.02 0.00 -1.10 0.00 0.00 59.98 58.78 2uua h ARG 76 Cb 0.83 -0.16 -0.03 0.00 -1.39 0.00 0.00 29.97 29.22 2uua h ARG 76 CO -0.15 0.46 0.34 -0.91 2.80 0.00 0.00 179.97 182.52 2uua h ASN 77 N 0.71 0.84 -0.29 -3.80 2.35 -0.93 -0.51 115.58 113.95 2uua h ASN 77 Ca 0.41 -0.08 -0.05 0.00 -0.55 0.00 0.00 56.30 56.04 2uua h ASN 77 Cb 0.45 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 2uua h ASN 77 CO -0.28 0.70 0.00 -0.07 -1.65 0.00 0.00 177.43 176.12 2uua h LEU 78 N 0.94 0.50 -0.33 1.61 3.38 -0.54 -1.60 115.31 119.26 2uua h LEU 78 Ca 0.23 -0.31 0.05 0.00 0.09 0.00 0.00 57.88 57.94 2uua h LEU 78 Cb 0.06 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 2uua h LEU 78 CO -0.03 0.68 0.07 0.15 0.09 0.00 0.00 178.44 179.40 2uua h PHE 79 N 0.30 0.12 -0.53 1.13 3.57 -0.87 0.15 116.94 120.80 2uua h PHE 79 Ca 0.08 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.64 2uua h PHE 79 Cb 0.43 -0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.12 2uua h PHE 79 CO 0.04 0.03 0.30 0.93 -2.23 0.00 0.00 178.31 177.37 2uua h GLU 80 N 0.19 0.56 -0.84 1.11 4.39 -0.98 -0.18 114.58 118.82 2uua h GLU 80 Ca 0.16 -0.03 0.08 0.00 0.34 0.00 0.00 59.36 59.91 2uua h GLU 80 Cb 0.17 -0.13 -0.07 0.00 -0.10 0.00 0.00 28.75 28.62 2uua h GLU 80 CO -0.20 0.37 0.50 1.49 -1.16 0.00 0.00 179.01 180.01 2uua h GLU 81 N 0.58 0.83 -0.58 2.33 4.81 -0.37 -1.83 114.58 120.36 2uua h GLU 81 Ca 0.23 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.38 2uua h GLU 81 Cb 0.09 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.26 2uua h GLU 81 CO -0.13 0.55 0.26 0.00 -0.73 0.00 0.00 179.01 178.96 2uua h ALA 82 N 1.44 0.75 0.53 2.92 0.00 0.73 -2.11 119.26 123.52 2uua h ALA 82 Ca 0.39 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 2uua h ALA 82 Cb 0.30 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2uua h ALA 82 CO -0.22 0.32 -0.36 0.77 0.00 0.00 0.00 179.25 179.76 2uua h SER 83 N 0.79 -0.93 -0.99 0.00 0.02 -0.27 -2.69 113.55 109.47 2uua h SER 83 Ca 0.20 0.06 0.18 0.00 -0.84 0.00 0.00 61.79 61.38 2uua h SER 83 Cb 0.14 0.29 -0.10 0.00 0.14 0.00 0.00 62.40 62.87 2uua h SER 83 CO -0.02 -0.55 0.62 0.11 -1.14 0.00 0.00 176.83 175.84 2uua h LYS 84 N -0.86 0.75 -7.21 3.45 1.57 -1.41 -3.43 116.57 109.43 2uua h LYS 84 Ca -0.06 -0.05 -0.52 0.00 -1.87 0.00 0.00 60.65 58.15 2uua h LYS 84 Cb 0.72 -0.17 0.15 0.00 0.08 0.00 0.00 32.23 33.00 2uua h LYS 84 CO 0.04 0.50 0.35 0.21 -0.57 0.00 0.00 179.45 179.98 2uua s LYS 85 N -5.82 2.16 0.56 3.15 2.20 -0.80 -5.01 119.74 116.18 2uua s LYS 85 Ca -0.11 1.57 -0.18 0.00 -0.36 0.00 0.00 55.97 56.89 2uua s LYS 85 Cb 0.24 -1.86 -0.05 0.00 -1.51 0.00 0.00 37.83 34.65 2uua s LYS 85 CO 0.80 -1.78 1.07 0.15 -0.36 0.00 0.00 175.35 175.23 2uua s LYS 86 N -4.17 3.43 0.00 4.03 1.02 -1.26 -4.87 119.74 117.92 2uua s LYS 86 Ca 0.70 1.33 0.00 0.00 0.02 0.00 0.00 55.97 58.02 2uua s LYS 86 Cb -0.25 -2.04 0.00 0.00 -0.52 0.00 0.00 37.83 35.02 2uua s LYS 86 CO 0.47 -0.73 0.00 0.41 -0.92 0.00 0.00 175.35 174.58 2uua n GLY 87 N -0.55 0.18 3.56 -3.33 0.00 -1.26 -4.89 105.19 98.90 2uua n GLY 87 Ca 0.09 -1.77 -0.47 0.00 0.00 0.00 0.00 46.02 43.88 2uua n GLY 87 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2uua n VAL 88 N 0.32 0.36 -0.24 1.61 0.31 -1.26 -4.85 118.33 114.57 2uua n VAL 88 Ca 0.00 -0.30 0.05 0.00 -0.01 0.00 0.00 64.34 64.08 2uua n VAL 88 Cb 0.00 -2.07 0.16 0.00 -0.91 0.00 0.00 33.84 31.03 2uua n VAL 88 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 2uua h THR 89 N 6.69 0.44 -0.06 2.52 2.02 -1.89 -0.26 112.91 122.36 2uua h THR 89 Ca -0.38 -0.06 0.01 0.00 0.77 0.00 0.00 66.41 66.75 2uua h THR 89 Cb 1.28 0.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.91 2uua h THR 89 CO 0.98 0.03 -0.18 1.23 0.37 0.00 0.00 175.52 177.95 2uua h GLY 90 N 0.18 -1.45 0.78 2.16 0.00 -1.92 0.37 103.07 103.18 2uua h GLY 90 Ca 0.40 0.70 -0.03 0.00 0.00 0.00 0.00 47.33 48.40 2uua h GLY 90 CO -0.57 -0.48 -0.49 1.48 0.00 0.00 0.00 176.54 176.48 2uua h SER 91 N -0.18 -1.26 -0.72 0.19 4.64 -1.85 -1.99 113.55 112.38 2uua h SER 91 Ca 0.01 0.07 0.15 0.00 -0.47 0.00 0.00 61.79 61.55 2uua h SER 91 Cb 0.22 0.37 -0.13 0.00 -0.31 0.00 0.00 62.40 62.55 2uua h SER 91 CO -0.16 -0.75 -0.14 0.58 -0.87 0.00 0.00 176.83 175.50 2uua h VAL 92 N -1.19 0.30 -0.41 0.95 2.07 -0.99 0.58 116.25 117.56 2uua h VAL 92 Ca -0.10 -0.01 0.08 0.00 0.82 0.00 0.00 66.70 67.49 2uua h VAL 92 Cb 0.96 0.28 -0.08 0.00 -1.52 0.00 0.00 31.29 30.93 2uua h VAL 92 CO 0.09 0.00 -0.10 0.15 0.02 0.00 0.00 177.57 177.73 2uua h PHE 93 N 0.02 -0.21 -0.78 1.57 -0.00 -0.12 -0.37 116.94 117.05 2uua h PHE 93 Ca 0.36 0.04 0.05 0.00 -0.00 0.00 0.00 57.97 58.41 2uua h PHE 93 Cb 0.56 0.16 -0.05 0.00 -0.00 0.00 0.00 35.95 36.61 2uua h PHE 93 CO -0.54 -0.17 0.47 -0.07 -0.00 0.00 0.00 178.31 178.00 2uua h LEU 94 N 0.00 0.75 -0.60 0.59 3.38 0.78 -1.55 115.31 118.66 2uua h LEU 94 Ca 0.20 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.23 2uua h LEU 94 Cb 0.30 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 2uua h LEU 94 CO -0.42 0.49 0.33 1.23 0.09 0.00 0.00 178.44 180.17 2uua h GLY 95 N 0.88 0.87 0.95 0.83 0.00 0.87 -1.25 103.07 106.23 2uua h GLY 95 Ca 0.33 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.42 2uua h GLY 95 CO -0.16 0.16 0.15 1.41 0.00 0.00 0.00 176.54 178.10 2uua h LEU 96 N 0.64 0.34 -0.56 3.11 4.07 -0.48 -1.11 115.31 121.31 2uua h LEU 96 Ca 0.26 -0.09 0.07 0.00 0.08 0.00 0.00 57.88 58.20 2uua h LEU 96 Cb 0.13 -0.09 -0.06 0.00 1.08 0.00 0.00 40.66 41.73 2uua h LEU 96 CO -0.16 0.32 0.25 -0.07 -1.08 0.00 0.00 178.44 177.71 2uua h LEU 97 N 0.32 0.31 0.00 1.67 3.38 -0.96 0.15 115.31 120.18 2uua h LEU 97 Ca 0.09 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2uua h LEU 97 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2uua h LEU 97 CO -0.02 0.20 0.00 1.21 0.09 0.00 0.00 178.44 179.93 2uua n GLU 98 N -4.93 0.05 0.00 1.13 4.07 -0.50 -2.27 120.64 118.19 2uua n GLU 98 Ca 0.07 0.25 0.11 0.00 -0.06 0.00 0.00 57.16 57.53 2uua n GLU 98 Cb 0.20 -1.50 0.06 0.00 -0.06 0.00 0.00 31.44 30.14 2uua n GLU 98 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 2uua n SER 99 N -1.44 0.75 -4.71 4.31 7.64 0.03 -4.44 113.62 115.77 2uua n SER 99 Ca 0.04 -0.62 -0.42 0.00 1.01 0.00 0.00 58.87 58.87 2uua n SER 99 Cb 0.13 0.65 -0.03 0.00 -1.01 0.00 0.00 64.21 63.95 2uua n SER 99 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2uua n ARG 100 N -1.52 2.73 0.12 1.43 1.74 -0.96 -1.33 116.66 118.87 2uua n ARG 100 Ca 0.05 0.98 -0.16 0.00 -0.77 0.00 0.00 57.85 57.95 2uua n ARG 100 Cb 0.34 -2.83 -0.10 0.00 -1.02 0.00 0.00 32.46 28.85 2uua n ARG 100 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 2uua h LEU 101 N 6.91 -1.56 -1.58 0.55 5.85 -0.36 0.94 115.31 126.07 2uua h LEU 101 Ca -0.44 0.16 0.45 0.00 0.84 0.00 0.00 57.88 58.90 2uua h LEU 101 Cb 1.21 0.57 -0.11 0.00 0.37 0.00 0.00 40.66 42.70 2uua h LEU 101 CO 0.95 -0.56 0.96 -2.24 -0.34 0.00 0.00 178.44 177.21 2uua h ASP 102 N -0.77 0.18 0.28 1.25 2.03 -1.34 0.31 116.42 118.37 2uua h ASP 102 Ca -0.01 0.10 -0.01 0.00 -0.73 0.00 0.00 57.03 56.37 2uua h ASP 102 Cb 0.77 0.09 0.00 0.00 -0.83 0.00 0.00 39.33 39.35 2uua h ASP 102 CO -0.27 -0.12 -0.14 -1.13 -1.03 0.00 0.00 179.24 176.55 2uua h ASN 103 N 0.07 -0.32 -0.69 4.15 -1.24 -1.15 -3.20 115.58 113.20 2uua h ASN 103 Ca 0.81 -0.14 0.14 0.00 0.71 0.00 0.00 56.30 57.83 2uua h ASN 103 Cb 2.75 0.08 -0.13 0.00 0.73 0.00 0.00 38.32 41.76 2uua h ASN 103 CO -0.30 0.16 -0.12 0.58 -1.29 0.00 0.00 177.43 176.47 2uua h VAL 104 N -1.01 0.34 -0.87 2.57 2.07 0.17 0.23 116.25 119.75 2uua h VAL 104 Ca -0.04 -0.01 0.21 0.00 0.82 0.00 0.00 66.70 67.69 2uua h VAL 104 Cb 0.45 0.31 -0.13 0.00 -1.52 0.00 0.00 31.29 30.40 2uua h VAL 104 CO 0.06 0.01 0.32 0.58 0.02 0.00 0.00 177.57 178.56 2uua h VAL 105 N 0.03 0.44 0.09 2.57 2.07 -1.13 0.24 116.25 120.56 2uua h VAL 105 Ca 0.34 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.75 2uua h VAL 105 Cb 0.55 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 2uua h VAL 105 CO -0.68 0.06 -0.04 0.22 0.02 0.00 0.00 177.57 177.15 2uua h TYR 106 N 0.33 -0.11 -0.86 1.57 3.20 -0.62 -2.53 116.97 117.95 2uua h TYR 106 Ca 0.54 -0.00 0.22 0.00 3.14 0.00 0.00 58.73 62.62 2uua h TYR 106 Cb 1.02 0.04 -0.05 0.00 1.54 0.00 0.00 36.73 39.28 2uua h TYR 106 CO -0.19 0.28 0.59 0.00 -1.64 0.00 0.00 178.16 177.21 2uua h ARG 107 N -0.54 0.22 -0.15 1.82 2.47 0.86 0.63 114.38 119.70 2uua h ARG 107 Ca -0.01 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.69 2uua h ARG 107 Cb 0.45 -0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.72 2uua h ARG 107 CO 0.02 0.14 0.00 1.28 0.56 0.00 0.00 179.97 181.97 2uua n LEU 108 N -4.41 1.19 0.00 3.04 4.77 0.62 -4.76 117.00 117.44 2uua n LEU 108 Ca 0.18 -0.52 0.00 0.00 -0.03 0.00 0.00 56.01 55.64 2uua n LEU 108 Cb 0.78 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.78 2uua n LEU 108 CO 0.34 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 2uua n GLY 109 N 0.99 1.53 0.36 -0.72 0.00 0.22 -4.81 105.19 102.77 2uua n GLY 109 Ca 0.14 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.28 2uua n GLY 109 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2uua h PHE 110 N 0.00 0.00 -3.51 1.61 0.04 -1.67 -3.38 116.94 110.03 2uua h PHE 110 Ca 0.00 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.62 2uua h PHE 110 Cb 0.00 0.00 -0.21 0.00 2.20 0.00 0.00 35.95 37.94 2uua h PHE 110 CO 0.00 0.00 -0.50 0.00 -0.60 0.00 0.00 178.31 177.21 2uua s ALA 111 N -4.17 -0.32 0.00 2.45 0.00 -1.25 -4.78 121.76 113.69 2uua s ALA 111 Ca -0.02 -0.08 -0.25 0.00 0.00 0.00 0.00 51.96 51.61 2uua s ALA 111 Cb 0.07 0.07 -0.19 0.00 0.00 0.00 0.00 23.12 23.07 2uua s ALA 111 CO 0.24 -0.19 1.37 -0.24 0.00 0.00 0.00 175.76 176.94 2uua h VAL 112 N 4.35 1.25 -0.78 0.00 3.04 -1.91 -3.42 116.25 118.79 2uua h VAL 112 Ca -0.30 -0.85 -0.58 0.00 -1.01 0.00 0.00 66.70 63.95 2uua h VAL 112 Cb 1.19 1.82 -0.06 0.00 -2.01 0.00 0.00 31.29 32.23 2uua h VAL 112 CO 0.41 0.22 -0.36 -0.94 -1.01 0.00 0.00 177.57 175.88 2uua s SER 113 N -5.53 4.57 -0.09 3.17 1.04 -1.26 -4.58 113.70 111.02 2uua s SER 113 Ca -0.15 -1.23 -0.27 0.00 0.48 0.00 0.00 55.95 54.78 2uua s SER 113 Cb 0.03 0.21 -0.25 0.00 0.10 0.00 0.00 66.02 66.11 2uua s SER 113 CO 0.66 -0.95 0.92 0.03 0.98 0.00 0.00 173.24 174.88 2uua h ARG 114 N 0.95 0.06 -1.00 4.02 3.08 -1.81 -1.94 114.38 117.74 2uua h ARG 114 Ca -0.39 -0.07 0.20 0.00 0.07 0.00 0.00 59.98 59.78 2uua h ARG 114 Cb 1.29 0.02 -0.11 0.00 0.08 0.00 0.00 29.97 31.26 2uua h ARG 114 CO 0.61 0.91 0.61 0.00 -1.07 0.00 0.00 179.97 181.04 2uua h ARG 115 N -0.76 0.72 -0.15 0.04 3.08 -1.94 0.49 114.38 115.86 2uua h ARG 115 Ca -0.02 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 59.94 2uua h ARG 115 Cb 0.96 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.84 2uua h ARG 115 CO 0.02 0.47 -0.12 0.37 -1.07 0.00 0.00 179.97 179.64 2uua h GLN 116 N 0.74 0.35 0.00 0.04 4.15 -1.89 -2.68 115.11 115.81 2uua h GLN 116 Ca 0.59 -0.17 -0.00 0.00 0.77 0.00 0.00 58.65 59.83 2uua h GLN 116 Cb 0.95 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.64 2uua h GLN 116 CO -0.39 0.71 -0.01 0.00 -1.93 0.00 0.00 178.83 177.21 2uua h ALA 117 N 0.63 1.59 0.47 3.38 0.00 0.07 -1.43 119.26 123.97 2uua h ALA 117 Ca 0.03 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2uua h ALA 117 Cb 0.63 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2uua h ALA 117 CO 0.03 0.01 -0.23 -0.09 0.00 0.00 0.00 179.25 178.97 2uua h ARG 118 N 0.00 -0.61 -1.15 0.00 2.43 0.15 -2.92 114.38 112.28 2uua h ARG 118 Ca -0.00 0.04 0.33 0.00 -0.81 0.00 0.00 59.98 59.55 2uua h ARG 118 Cb 0.02 0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 29.66 2uua h ARG 118 CO 0.00 -0.41 0.85 0.37 -1.51 0.00 0.00 179.97 179.27 2uua h GLN 119 N -0.81 0.00 0.00 0.20 4.15 -1.16 0.73 115.11 118.22 2uua h GLN 119 Ca -0.07 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.31 2uua h GLN 119 Cb 0.49 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.17 2uua h GLN 119 CO 0.11 0.00 -0.21 -0.07 -1.93 0.00 0.00 178.83 176.72 2uua h LEU 120 N 0.00 0.00 0.03 -2.39 3.38 -1.09 -0.22 115.31 115.02 2uua h LEU 120 Ca 0.55 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 58.31 2uua h LEU 120 Cb 2.24 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.97 2uua h LEU 120 CO -0.01 0.21 -1.13 0.58 0.09 0.00 0.00 178.44 178.19 2uua h VAL 121 N 0.00 1.07 -0.85 1.22 2.07 0.60 -2.55 116.25 117.80 2uua h VAL 121 Ca -0.00 -2.26 0.13 0.00 0.82 0.00 0.00 66.70 65.38 2uua h VAL 121 Cb 0.64 2.54 -0.06 0.00 -1.52 0.00 0.00 31.29 32.88 2uua h VAL 121 CO 0.03 0.48 0.55 0.03 0.02 0.00 0.00 177.57 178.68 2uua h ARG 122 N -0.79 0.67 -0.89 1.57 2.47 -1.33 -0.53 114.38 115.55 2uua h ARG 122 Ca -0.29 -0.04 -0.13 0.00 -1.26 0.00 0.00 59.98 58.26 2uua h ARG 122 Cb 1.40 -0.15 -0.08 0.00 -1.65 0.00 0.00 29.97 29.48 2uua h ARG 122 CO -0.10 0.44 0.17 0.72 0.56 0.00 0.00 179.97 181.76 2uua n HIS 123 N -4.54 1.33 -0.40 3.04 8.25 -0.10 -4.90 115.22 117.91 2uua n HIS 123 Ca 0.16 -0.79 0.00 0.00 -0.26 0.00 0.00 57.72 56.83 2uua n HIS 123 Cb 0.42 -0.46 0.00 0.00 1.12 0.00 0.00 29.99 31.07 2uua n HIS 123 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2uua n GLY 124 N -0.01 0.08 0.00 -1.41 0.00 -0.21 -4.82 105.19 98.82 2uua n GLY 124 Ca 0.23 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.27 2uua n GLY 124 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2uua n HIS 125 N -2.00 0.00 -4.41 1.61 8.25 -0.97 -4.74 115.22 112.97 2uua n HIS 125 Ca 0.00 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.21 2uua n HIS 125 Cb 0.00 -0.16 -0.10 0.00 1.12 0.00 0.00 29.99 30.85 2uua n HIS 125 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2uua s ILE 126 N -2.31 2.70 -0.08 1.59 -1.09 -1.20 0.16 121.20 120.96 2uua s ILE 126 Ca 0.06 -2.14 -0.05 0.00 -2.23 0.00 0.00 60.65 56.29 2uua s ILE 126 Cb 0.03 -2.38 0.03 0.00 -1.58 0.00 0.00 42.46 38.56 2uua s ILE 126 CO 0.07 -0.29 0.19 0.28 -1.23 0.00 0.00 174.94 173.96 2uua s THR 127 N -2.17 -0.03 -0.24 2.92 -1.32 -0.36 -3.04 115.64 111.41 2uua s THR 127 Ca 0.27 0.10 -0.06 0.00 -1.21 0.00 0.00 61.69 60.79 2uua s THR 127 Cb -0.06 -0.29 -0.02 0.00 -1.51 0.00 0.00 72.50 70.61 2uua s THR 127 CO 0.15 0.04 0.04 -0.69 -2.21 0.00 0.00 174.62 171.95 2uua s VAL 128 N 0.80 4.07 -1.42 5.08 1.01 -0.50 0.11 120.40 129.56 2uua s VAL 128 Ca -0.06 -0.25 -0.04 0.00 0.00 0.00 0.00 61.98 61.63 2uua s VAL 128 Cb -0.07 -2.89 0.02 0.00 0.00 0.00 0.00 36.38 33.43 2uua s VAL 128 CO -0.04 0.37 0.30 0.59 0.00 0.00 0.00 175.10 176.31 2uua n ASN 129 N 4.83 -5.00 0.00 3.32 3.02 -0.52 -1.22 115.26 119.69 2uua n ASN 129 Ca -0.17 -0.13 0.00 0.00 -0.03 0.00 0.00 54.58 54.25 2uua n ASN 129 Cb 0.51 -4.13 0.00 0.00 -0.61 0.00 0.00 39.78 35.55 2uua n ASN 129 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2uua n GLY 130 N -1.16 2.46 3.80 7.41 0.00 -1.26 -5.02 105.19 111.42 2uua n GLY 130 Ca -0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.53 2uua n GLY 130 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2uua s ARG 131 N -0.19 3.87 0.47 1.61 3.00 -0.36 -5.01 118.95 122.33 2uua s ARG 131 Ca 0.00 -0.11 -0.25 0.00 0.00 0.00 0.00 55.73 55.38 2uua s ARG 131 Cb 0.00 -3.31 -0.08 0.00 0.00 0.00 0.00 34.95 31.56 2uua s ARG 131 CO 0.00 0.52 1.39 0.50 0.00 0.00 0.00 175.30 177.70 2uua s ARG 132 N -0.29 3.60 -0.13 3.54 3.52 -1.26 -1.41 118.95 126.52 2uua s ARG 132 Ca 0.13 2.33 -0.04 0.00 -0.13 0.00 0.00 55.73 58.01 2uua s ARG 132 Cb -0.12 -2.57 0.07 0.00 -1.56 0.00 0.00 34.95 30.76 2uua s ARG 132 CO 0.02 -0.85 0.23 0.08 -0.81 0.00 0.00 175.30 173.97 2uua s VAL 133 N -1.24 -0.37 -0.34 7.11 1.01 -1.17 -4.85 120.40 120.56 2uua s VAL 133 Ca 0.63 0.24 0.07 0.00 0.00 0.00 0.00 61.98 62.92 2uua s VAL 133 Cb -0.42 -0.45 0.54 0.00 0.00 0.00 0.00 36.38 36.05 2uua s VAL 133 CO 0.53 0.07 1.57 -0.90 0.00 0.00 0.00 175.10 176.37 2uua n ASP 134 N 5.34 2.89 -4.14 3.32 3.85 -1.25 -4.67 116.55 121.88 2uua n ASP 134 Ca -0.06 -3.76 -0.37 0.00 -0.71 0.00 0.00 54.79 49.89 2uua n ASP 134 Cb 0.50 -0.68 -0.11 0.00 -1.35 0.00 0.00 41.12 39.47 2uua n ASP 134 CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 2uua s LEU 135 N -3.29 5.23 0.34 -2.12 1.43 -1.26 -3.96 118.68 115.04 2uua s LEU 135 Ca 0.48 -1.95 0.13 0.00 -1.03 0.00 0.00 54.13 51.76 2uua s LEU 135 Cb 0.43 -1.85 1.05 0.00 0.03 0.00 0.00 46.19 45.85 2uua s LEU 135 CO 0.02 -0.55 1.66 -0.65 0.23 0.00 0.00 176.35 177.06 2uua h PRO 136 N 8.11 0.30 -0.00 1.29 0.11 -1.91 0.98 132.00 140.88 2uua h PRO 136 Ca -0.15 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.94 2uua h PRO 136 Cb 1.05 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.09 2uua h PRO 136 CO 0.71 0.20 -0.00 -1.13 -0.21 0.00 0.00 178.00 177.57 2uua n SER 137 N -5.07 0.03 -4.62 -2.05 3.41 -1.26 -1.04 113.62 103.01 2uua n SER 137 Ca 0.31 -0.59 -0.46 0.00 -0.26 0.00 0.00 58.87 57.86 2uua n SER 137 Cb 0.96 -0.13 -0.03 0.00 -0.26 0.00 0.00 64.21 64.74 2uua n SER 137 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2uua n TYR 138 N -1.12 1.71 -3.19 7.33 9.36 0.34 -4.65 117.16 126.94 2uua n TYR 138 Ca 0.19 0.57 -0.43 0.00 3.32 0.00 0.00 57.90 61.55 2uua n TYR 138 Cb 0.18 -2.36 -0.07 0.00 -0.63 0.00 0.00 39.34 36.46 2uua n TYR 138 CO 0.00 0.00 0.00 0.50 0.22 0.00 0.00 176.86 177.58 2uua s ARG 139 N -0.66 3.16 0.13 2.98 3.52 -1.26 -0.32 118.95 126.50 2uua s ARG 139 Ca 0.68 -0.69 -0.31 0.00 -0.13 0.00 0.00 55.73 55.28 2uua s ARG 139 Cb -0.73 -4.01 -0.08 0.00 -1.56 0.00 0.00 34.95 28.57 2uua s ARG 139 CO 0.53 -1.05 1.33 0.08 -0.81 0.00 0.00 175.30 175.38 2uua s VAL 140 N 2.56 3.42 0.26 7.11 1.01 -0.44 -4.98 120.40 129.34 2uua s VAL 140 Ca 0.17 1.06 0.09 0.00 0.00 0.00 0.00 61.98 63.29 2uua s VAL 140 Cb -0.17 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 2uua s VAL 140 CO 0.15 0.10 0.08 -0.13 0.00 0.00 0.00 175.10 175.29 2uua s ARG 141 N 0.77 2.53 0.10 2.72 0.52 -1.26 -4.87 118.95 119.47 2uua s ARG 141 Ca 0.61 -1.29 -0.31 0.00 -0.52 0.00 0.00 55.73 54.23 2uua s ARG 141 Cb -0.35 -2.31 -0.09 0.00 0.52 0.00 0.00 34.95 32.71 2uua s ARG 141 CO 0.32 0.37 1.65 -2.14 0.02 0.00 0.00 175.30 175.52 2uua s PRO 142 N -3.74 4.19 0.00 3.54 0.02 -1.26 -2.07 135.00 135.68 2uua s PRO 142 Ca 0.32 2.38 0.00 0.00 0.02 0.00 0.00 61.00 63.72 2uua s PRO 142 Cb -0.07 -3.47 0.00 0.00 0.02 0.00 0.00 34.50 30.98 2uua s PRO 142 CO 0.22 -0.71 0.00 0.41 -0.33 0.00 0.00 177.00 176.58 2uua n GLY 143 N 3.96 3.15 3.63 0.52 0.00 -0.36 -5.03 105.19 111.07 2uua n GLY 143 Ca 0.16 -1.06 -0.47 0.00 0.00 0.00 0.00 46.02 44.65 2uua n GLY 143 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2uua n ASP 144 N 0.23 2.19 -4.54 1.61 9.92 -0.88 -4.79 116.55 120.29 2uua n ASP 144 Ca 0.00 1.14 -0.36 0.00 -0.53 0.00 0.00 54.79 55.04 2uua n ASP 144 Cb 0.00 -1.34 -0.11 0.00 -0.64 0.00 0.00 41.12 39.03 2uua n ASP 144 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 2uua s GLU 145 N -0.31 3.81 -0.39 -1.24 2.12 -1.26 -2.32 118.70 119.11 2uua s GLU 145 Ca 0.71 -0.41 -0.15 0.00 0.36 0.00 0.00 54.97 55.48 2uua s GLU 145 Cb -0.74 -3.28 0.01 0.00 0.26 0.00 0.00 34.13 30.38 2uua s GLU 145 CO 0.50 0.04 0.31 0.42 -0.54 0.00 0.00 175.26 175.98 2uua s ILE 146 N 1.02 5.24 0.46 -3.70 1.09 -0.74 -1.44 121.20 123.12 2uua s ILE 146 Ca 0.04 -0.44 0.06 0.00 -1.10 0.00 0.00 60.65 59.21 2uua s ILE 146 Cb -0.14 -3.88 -0.02 0.00 -1.06 0.00 0.00 42.46 37.36 2uua s ILE 146 CO 0.03 -0.23 0.27 0.00 -0.10 0.00 0.00 174.94 174.91 2uua s ALA 147 N 1.78 3.95 -0.09 9.38 0.00 0.12 0.27 121.76 137.17 2uua s ALA 147 Ca 0.07 -1.70 -0.11 0.00 0.00 0.00 0.00 51.96 50.21 2uua s ALA 147 Cb -0.18 -0.57 -0.05 0.00 0.00 0.00 0.00 23.12 22.32 2uua s ALA 147 CO 0.11 -0.25 0.26 0.08 0.00 0.00 0.00 175.76 175.96 2uua s VAL 148 N -2.64 5.30 -0.03 0.00 1.01 -0.60 -1.22 120.40 122.21 2uua s VAL 148 Ca 0.38 0.49 -0.34 0.00 0.00 0.00 0.00 61.98 62.51 2uua s VAL 148 Cb 0.01 -3.55 -0.12 0.00 0.00 0.00 0.00 36.38 32.71 2uua s VAL 148 CO 0.22 0.56 1.81 0.00 0.00 0.00 0.00 175.10 177.69 2uua n ALA 149 N 2.24 0.98 -0.38 5.51 0.00 0.12 -4.80 120.51 124.18 2uua n ALA 149 Ca -0.16 0.32 -0.04 0.00 0.00 0.00 0.00 53.44 53.56 2uua n ALA 149 Cb 0.53 -2.47 0.00 0.00 0.00 0.00 0.00 19.45 17.52 2uua n ALA 149 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2uua h GLU 150 N 8.47 -0.01 0.00 0.00 4.57 -1.95 0.38 114.58 126.04 2uua h GLU 150 Ca -0.48 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.70 2uua h GLU 150 Cb 1.27 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.86 2uua h GLU 150 CO 0.93 -0.01 0.00 1.63 -1.18 0.00 0.00 179.01 180.39 2uua n LYS 151 N -5.42 0.09 -0.10 1.92 5.02 -1.26 -2.34 118.16 116.08 2uua n LYS 151 Ca 0.08 0.50 0.03 0.00 -2.02 0.00 0.00 58.31 56.90 2uua n LYS 151 Cb 0.36 -1.75 0.09 0.00 -0.02 0.00 0.00 35.03 33.71 2uua n LYS 151 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2uua n SER 152 N -1.94 2.47 0.00 4.39 3.41 0.13 -4.58 113.62 117.49 2uua n SER 152 Ca 0.00 -1.92 0.04 0.00 -0.26 0.00 0.00 58.87 56.74 2uua n SER 152 Cb 0.09 -0.13 0.26 0.00 -0.26 0.00 0.00 64.21 64.17 2uua n SER 152 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2uua n ARG 153 N 0.17 0.33 0.00 4.33 1.74 -0.89 -2.12 116.66 120.22 2uua n ARG 153 Ca 0.07 0.00 0.05 0.00 -0.77 0.00 0.00 57.85 57.20 2uua n ARG 153 Cb 0.34 -1.41 0.02 0.00 -1.02 0.00 0.00 32.46 30.39 2uua n ARG 153 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2uua n ASN 154 N -0.91 1.53 -4.73 0.55 3.02 -1.26 -4.75 115.26 108.71 2uua n ASN 154 Ca 0.07 -1.26 -0.42 0.00 -0.03 0.00 0.00 54.58 52.93 2uua n ASN 154 Cb 0.03 0.28 -0.03 0.00 -0.61 0.00 0.00 39.78 39.45 2uua n ASN 154 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2uua s LEU 155 N -1.36 4.37 0.29 3.41 1.43 -0.90 -4.87 118.68 121.05 2uua s LEU 155 Ca 0.10 2.77 0.02 0.00 -1.03 0.00 0.00 54.13 55.99 2uua s LEU 155 Cb 0.09 -3.61 0.71 0.00 0.03 0.00 0.00 46.19 43.41 2uua s LEU 155 CO 0.21 -0.87 1.63 -0.08 0.23 0.00 0.00 176.35 177.47 2uua h GLU 156 N 6.18 0.15 0.04 1.70 4.81 -1.95 -0.43 114.58 125.08 2uua h GLU 156 Ca -0.44 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 2uua h GLU 156 Cb 1.21 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.55 2uua h GLU 156 CO 0.89 0.10 -0.04 1.25 -0.73 0.00 0.00 179.01 180.47 2uua h LEU 157 N 0.15 -0.11 -1.73 1.64 5.85 -1.97 -2.58 115.31 116.56 2uua h LEU 157 Ca 0.55 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 59.28 2uua h LEU 157 Cb 1.13 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 2uua h LEU 157 CO -0.71 -0.07 0.07 0.40 -0.34 0.00 0.00 178.44 177.80 2uua h ILE 158 N -0.09 1.08 0.00 4.05 2.04 -1.45 -2.14 117.51 120.99 2uua h ILE 158 Ca 0.00 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.63 2uua h ILE 158 Cb 0.09 0.86 0.00 0.00 -0.74 0.00 0.00 36.82 37.04 2uua h ILE 158 CO -0.01 0.09 0.00 0.54 0.00 0.00 0.00 178.15 178.76 2uua n ARG 159 N -4.46 0.00 -0.31 2.37 5.12 -0.59 -1.67 116.66 117.12 2uua n ARG 159 Ca -0.00 0.38 0.09 0.00 -1.93 0.00 0.00 57.85 56.39 2uua n ARG 159 Cb 0.12 -1.28 0.21 0.00 -1.16 0.00 0.00 32.46 30.34 2uua n ARG 159 CO 0.00 0.00 0.00 1.96 -1.93 0.00 0.00 177.63 177.66 2uua h GLN 160 N 0.00 0.04 -0.24 5.56 4.20 -1.45 0.51 115.11 123.73 2uua h GLN 160 Ca 0.00 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 2uua h GLN 160 Cb 0.00 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 2uua h GLN 160 CO 0.00 0.03 0.14 -0.91 -0.67 0.00 0.00 178.83 177.41 2uua h ASN 161 N 0.05 0.29 1.51 1.46 4.21 -1.40 0.19 115.58 121.89 2uua h ASN 161 Ca 0.50 -0.07 -0.04 0.00 1.21 0.00 0.00 56.30 57.90 2uua h ASN 161 Cb 0.93 -0.07 -0.01 0.00 -1.12 0.00 0.00 38.32 38.05 2uua h ASN 161 CO -0.84 0.28 -0.21 -0.07 -1.29 0.00 0.00 177.43 175.30 2uua h LEU 162 N 0.28 0.00 0.35 1.61 3.38 -0.32 -2.78 115.31 117.83 2uua h LEU 162 Ca 0.08 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 2uua h LEU 162 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2uua h LEU 162 CO -0.01 0.21 -0.17 -0.08 0.09 0.00 0.00 178.44 178.48 2uua h GLU 163 N 0.00 -0.45 -0.43 1.13 4.57 0.40 -2.85 114.58 116.95 2uua h GLU 163 Ca -0.00 0.03 0.13 0.00 -1.18 0.00 0.00 59.36 58.33 2uua h GLU 163 Cb 1.02 0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.69 2uua h GLU 163 CO 0.03 -0.13 0.35 0.00 -1.18 0.00 0.00 179.01 178.08 2uua h ALA 164 N -0.35 2.29 0.00 2.92 0.00 -0.60 0.51 119.26 124.03 2uua h ALA 164 Ca -0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2uua h ALA 164 Cb 0.53 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2uua h ALA 164 CO 0.08 -0.58 0.00 -1.33 0.00 0.00 0.00 179.25 177.42 2uua n MET 165 N -4.14 0.03 -1.72 0.00 2.81 -1.05 -4.48 117.12 108.56 2uua n MET 165 Ca 0.08 0.25 -0.42 0.00 -1.81 0.00 0.00 57.70 55.79 2uua n MET 165 Cb 0.55 -1.55 -0.03 0.00 -0.71 0.00 0.00 33.22 31.47 2uua n MET 165 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2uua s LYS 166 N -3.04 4.14 0.00 0.03 1.02 0.18 -1.08 119.74 120.98 2uua s LYS 166 Ca 0.07 2.58 0.00 0.00 0.02 0.00 0.00 55.97 58.65 2uua s LYS 166 Cb 0.10 -3.68 0.00 0.00 -0.52 0.00 0.00 37.83 33.74 2uua s LYS 166 CO 0.31 -0.85 0.00 0.41 -0.92 0.00 0.00 175.35 174.30 2uua n GLY 167 N 4.27 0.41 3.84 -3.33 0.00 -1.26 -5.00 105.19 104.11 2uua n GLY 167 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 2uua n GLY 167 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2uua s ARG 168 N -0.69 4.02 0.49 1.61 0.52 -0.25 -5.08 118.95 119.58 2uua s ARG 168 Ca 0.00 0.54 -0.11 0.00 -0.52 0.00 0.00 55.73 55.64 2uua s ARG 168 Cb 0.00 -2.99 -0.06 0.00 0.52 0.00 0.00 34.95 32.42 2uua s ARG 168 CO 0.00 0.51 0.88 0.15 0.02 0.00 0.00 175.30 176.86 2uua s LYS 169 N -1.78 3.74 0.05 3.54 -0.14 -1.26 -5.02 119.74 118.86 2uua s LYS 169 Ca 0.36 0.60 0.03 0.00 -1.36 0.00 0.00 55.97 55.60 2uua s LYS 169 Cb -0.16 -2.26 -0.02 0.00 -1.68 0.00 0.00 37.83 33.71 2uua s LYS 169 CO 0.19 -0.24 -0.10 0.54 -0.76 0.00 0.00 175.35 174.97 2uua s VAL 170 N -2.68 0.79 0.33 3.17 0.11 -1.26 -5.09 120.40 115.77 2uua s VAL 170 Ca 0.53 -1.10 -0.24 0.00 -2.93 0.00 0.00 61.98 58.24 2uua s VAL 170 Cb -0.10 -0.79 -0.15 0.00 -1.53 0.00 0.00 36.38 33.80 2uua s VAL 170 CO 0.39 -0.26 0.44 0.61 -3.33 0.00 0.00 175.10 172.95 2uua n GLY 171 N 1.54 -1.84 0.37 6.54 0.00 -1.26 -4.81 105.19 105.72 2uua n GLY 171 Ca -0.21 0.15 0.13 0.00 0.00 0.00 0.00 46.02 46.08 2uua n GLY 171 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2uua h PRO 172 N 0.83 0.68 0.00 1.61 0.11 -2.00 0.69 132.00 133.91 2uua h PRO 172 Ca -0.35 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2uua h PRO 172 Cb 1.42 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2uua h PRO 172 CO 0.53 0.45 0.00 -2.67 -0.21 0.00 0.00 178.00 176.09 2uua n TRP 173 N -4.59 0.00 -4.91 0.65 2.14 -1.26 -4.78 117.44 104.68 2uua n TRP 173 Ca 0.19 0.00 -0.28 0.00 2.07 0.00 0.00 57.50 59.48 2uua n TRP 173 Cb 0.51 -0.31 -0.15 0.00 -0.81 0.00 0.00 31.31 30.55 2uua n TRP 173 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 2uua s LEU 174 N -2.62 2.11 0.16 5.67 1.43 0.23 0.94 118.68 126.60 2uua s LEU 174 Ca 0.23 -0.47 0.10 0.00 -1.03 0.00 0.00 54.13 52.96 2uua s LEU 174 Cb 0.17 -1.11 -0.04 0.00 0.03 0.00 0.00 46.19 45.24 2uua s LEU 174 CO 0.41 0.23 -0.18 -0.94 0.23 0.00 0.00 176.35 176.10 2uua s SER 175 N -0.86 3.80 -0.18 2.29 1.04 -0.73 -4.42 113.70 114.64 2uua s SER 175 Ca 0.09 -0.68 -0.04 0.00 0.48 0.00 0.00 55.95 55.80 2uua s SER 175 Cb -0.09 -0.48 0.09 0.00 0.10 0.00 0.00 66.02 65.64 2uua s SER 175 CO 0.01 0.14 0.27 -0.22 0.98 0.00 0.00 173.24 174.41 2uua s LEU 176 N -2.51 -0.29 -0.66 2.42 2.96 -1.26 -1.22 118.68 118.12 2uua s LEU 176 Ca 0.21 0.21 -0.18 0.00 -0.22 0.00 0.00 54.13 54.14 2uua s LEU 176 Cb -0.09 0.66 0.12 0.00 0.50 0.00 0.00 46.19 47.37 2uua s LEU 176 CO 0.11 -0.29 0.77 -0.62 -1.32 0.00 0.00 176.35 175.01 2uua s ASP 177 N 2.41 6.29 0.30 3.68 2.15 -0.38 -4.94 116.67 126.18 2uua s ASP 177 Ca 0.05 -1.62 0.01 0.00 0.43 0.00 0.00 52.55 51.43 2uua s ASP 177 Cb -0.14 -2.31 0.55 0.00 -0.30 0.00 0.00 42.92 40.72 2uua s ASP 177 CO -0.11 -1.07 1.89 0.58 -0.17 0.00 0.00 175.17 176.29 2uua h VAL 178 N 5.80 1.02 0.71 1.11 2.07 -1.94 -2.39 116.25 122.64 2uua h VAL 178 Ca -0.20 -0.34 -0.04 0.00 0.82 0.00 0.00 66.70 66.94 2uua h VAL 178 Cb 1.07 -0.07 0.01 0.00 -1.52 0.00 0.00 31.29 30.78 2uua h VAL 178 CO 1.07 0.18 -0.34 -0.33 0.02 0.00 0.00 177.57 178.17 2uua h GLU 179 N 1.00 -0.92 0.00 1.57 5.08 -1.93 -3.03 114.58 116.35 2uua h GLU 179 Ca 0.42 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.84 2uua h GLU 179 Cb 0.30 0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2uua h GLU 179 CO -0.18 -0.59 0.00 0.41 -1.00 0.00 0.00 179.01 177.65 2uua n GLY 180 N -0.88 -0.50 4.26 -3.84 0.00 -1.19 -4.86 105.19 98.19 2uua n GLY 180 Ca -0.13 -0.04 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 2uua n GLY 180 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2uua n MET 181 N -0.68 -1.60 -3.92 1.61 2.81 -0.92 -4.77 117.12 109.66 2uua n MET 181 Ca 0.04 0.19 -0.10 0.00 -1.81 0.00 0.00 57.70 56.02 2uua n MET 181 Cb 0.02 -4.05 -0.12 0.00 -0.71 0.00 0.00 33.22 28.36 2uua n MET 181 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 2uua s LYS 182 N -7.15 0.25 0.17 0.03 -2.85 -1.11 -1.56 119.74 107.52 2uua s LYS 182 Ca 0.16 -0.34 0.01 0.00 -1.00 0.00 0.00 55.97 54.81 2uua s LYS 182 Cb -0.09 0.10 -0.00 0.00 -2.06 0.00 0.00 37.83 35.77 2uua s LYS 182 CO 0.97 -0.05 0.03 0.41 0.10 0.00 0.00 175.35 176.82 2uua n GLY 183 N 2.09 3.86 3.36 0.59 0.00 0.14 -1.24 105.19 114.00 2uua n GLY 183 Ca -0.20 -2.11 -0.07 0.00 0.00 0.00 0.00 46.02 43.64 2uua n GLY 183 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2uua s LYS 184 N -2.62 0.41 -0.66 1.61 2.20 -0.36 -1.79 119.74 118.53 2uua s LYS 184 Ca 0.04 1.08 -0.27 0.00 -0.36 0.00 0.00 55.97 56.47 2uua s LYS 184 Cb 0.00 0.35 0.00 0.00 -1.51 0.00 0.00 37.83 36.68 2uua s LYS 184 CO 0.03 -0.22 1.56 0.12 -0.36 0.00 0.00 175.35 176.49 2uua s PHE 185 N 2.37 1.99 -0.07 4.03 5.36 -0.98 -1.78 117.98 128.91 2uua s PHE 185 Ca -0.05 0.39 -0.26 0.00 -0.96 0.00 0.00 56.93 56.06 2uua s PHE 185 Cb -0.11 -4.36 -0.24 0.00 -0.34 0.00 0.00 43.02 37.98 2uua s PHE 185 CO -0.14 -2.18 0.99 -0.07 -1.46 0.00 0.00 175.22 172.35 2uua h LEU 186 N 14.58 0.15 -7.76 6.12 3.38 0.25 -0.94 115.31 131.09 2uua h LEU 186 Ca -0.27 -0.80 -0.01 0.00 0.09 0.00 0.00 57.88 56.89 2uua h LEU 186 Cb 1.11 -0.05 -0.09 0.00 0.09 0.00 0.00 40.66 41.72 2uua h LEU 186 CO 1.24 0.93 0.06 0.00 0.09 0.00 0.00 178.44 180.75 2uua s ARG 187 N -3.03 1.47 0.19 1.13 1.70 -1.15 -4.53 118.95 114.73 2uua s ARG 187 Ca -0.17 -0.91 -0.30 0.00 -0.47 0.00 0.00 55.73 53.88 2uua s ARG 187 Cb -0.00 0.53 -0.08 0.00 -0.57 0.00 0.00 34.95 34.83 2uua s ARG 187 CO 0.72 -0.63 1.14 -0.51 -1.08 0.00 0.00 175.30 174.94 2uua s LEU 188 N -2.89 4.48 0.53 -1.89 1.43 -1.26 -4.75 118.68 114.32 2uua s LEU 188 Ca 0.11 2.17 -0.21 0.00 -1.03 0.00 0.00 54.13 55.17 2uua s LEU 188 Cb -0.02 -3.61 -0.06 0.00 0.03 0.00 0.00 46.19 42.54 2uua s LEU 188 CO -0.00 -0.28 1.21 -2.16 0.23 0.00 0.00 176.35 175.35 2uua s PRO 189 N -0.41 3.34 0.33 1.29 0.04 -1.26 -5.00 135.00 133.33 2uua s PRO 189 Ca 0.50 1.86 -0.12 0.00 0.04 0.00 0.00 61.00 63.29 2uua s PRO 189 Cb -0.31 -2.18 -0.08 0.00 0.04 0.00 0.00 34.50 31.97 2uua s PRO 189 CO 0.36 -0.92 0.71 -0.51 0.04 0.00 0.00 177.00 176.68 2uua s ASP 190 N -1.40 6.64 0.34 6.66 -0.00 -1.26 -4.66 116.67 122.99 2uua s ASP 190 Ca 0.71 1.13 0.10 0.00 -0.00 0.00 0.00 52.55 54.49 2uua s ASP 190 Cb -0.31 -2.32 0.87 0.00 -0.00 0.00 0.00 42.92 41.17 2uua s ASP 190 CO 0.36 -0.25 1.77 -0.09 -0.00 0.00 0.00 175.17 176.96 2uua h ARG 191 N 1.92 0.61 -0.97 8.23 9.65 -1.92 0.62 114.38 132.52 2uua h ARG 191 Ca -0.47 -0.04 0.10 0.00 -1.10 0.00 0.00 59.98 58.47 2uua h ARG 191 Cb 1.18 -0.14 -0.08 0.00 -1.39 0.00 0.00 29.97 29.54 2uua h ARG 191 CO 0.65 0.40 0.60 1.49 2.80 0.00 0.00 179.97 185.92 2uua h GLU 192 N 0.62 0.96 -0.09 0.20 4.57 -2.02 -1.62 114.58 117.20 2uua h GLU 192 Ca 0.59 -0.06 -0.07 0.00 -1.18 0.00 0.00 59.36 58.64 2uua h GLU 192 Cb 1.11 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 29.47 2uua h GLU 192 CO -0.37 0.64 -0.26 -0.44 -1.18 0.00 0.00 179.01 177.39 2uua h ASP 193 N 0.99 0.15 -3.50 1.04 3.32 -0.12 -3.43 116.42 114.86 2uua h ASP 193 Ca 0.46 -0.04 -0.51 0.00 0.02 0.00 0.00 57.03 56.96 2uua h ASP 193 Cb 0.40 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.90 2uua h ASP 193 CO -0.24 0.42 0.01 -0.76 -1.72 0.00 0.00 179.24 176.95 2uua s LEU 194 N -8.48 3.94 -0.46 1.55 2.01 -0.61 -4.97 118.68 111.66 2uua s LEU 194 Ca -0.04 0.98 0.08 0.00 0.01 0.00 0.00 54.13 55.16 2uua s LEU 194 Cb 0.15 -3.82 0.29 0.00 0.01 0.00 0.00 46.19 42.81 2uua s LEU 194 CO 0.74 -0.30 0.68 0.00 1.01 0.00 0.00 176.35 178.48 2uua n ALA 195 N -1.05 2.92 -2.61 4.21 0.00 -1.26 -4.94 120.51 117.78 2uua n ALA 195 Ca 0.01 -3.84 -0.38 0.00 0.00 0.00 0.00 53.44 49.24 2uua n ALA 195 Cb 0.54 -0.85 -0.06 0.00 0.00 0.00 0.00 19.45 19.08 2uua n ALA 195 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2uua s LEU 196 N -2.07 4.37 0.00 0.00 1.43 -1.26 -4.95 118.68 116.20 2uua s LEU 196 Ca 0.39 0.84 -0.02 0.00 -1.03 0.00 0.00 54.13 54.31 2uua s LEU 196 Cb 0.23 -2.58 -0.08 0.00 0.03 0.00 0.00 46.19 43.79 2uua s LEU 196 CO -0.09 0.19 1.75 -0.81 0.23 0.00 0.00 176.35 177.62 2uua n PRO 197 N 2.70 0.88 -3.75 1.29 -0.04 -1.26 -4.71 135.00 130.10 2uua n PRO 197 Ca -0.11 -0.29 -0.13 0.00 -0.04 0.00 0.00 63.50 62.93 2uua n PRO 197 Cb 0.52 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.35 2uua n PRO 197 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2uua s VAL 198 N 1.33 -0.03 -0.94 0.52 1.01 -1.26 -4.93 120.40 116.10 2uua s VAL 198 Ca 0.20 0.11 -0.17 0.00 0.00 0.00 0.00 61.98 62.12 2uua s VAL 198 Cb 0.09 -0.33 0.16 0.00 0.00 0.00 0.00 36.38 36.30 2uua s VAL 198 CO 0.00 0.05 1.08 0.21 0.00 0.00 0.00 175.10 176.43 2uua s ASN 199 N 0.93 6.71 0.51 3.32 3.04 -1.26 -4.87 114.94 123.33 2uua s ASN 199 Ca -0.07 -2.30 0.30 0.00 0.04 0.00 0.00 52.86 50.83 2uua s ASN 199 Cb -0.08 -2.35 1.42 0.00 -1.54 0.00 0.00 41.25 38.69 2uua s ASN 199 CO -0.06 -0.91 1.87 1.05 -3.04 0.00 0.00 177.10 176.01 2uua h GLU 200 N 8.41 0.08 -0.59 0.43 9.09 -1.96 -1.24 114.58 128.80 2uua h GLU 200 Ca 0.16 -0.00 0.12 0.00 0.05 0.00 0.00 59.36 59.69 2uua h GLU 200 Cb 1.01 -0.02 -0.10 0.00 -1.65 0.00 0.00 28.75 28.00 2uua h GLU 200 CO 1.04 0.05 0.03 0.37 0.05 0.00 0.00 179.01 180.55 2uua h GLN 201 N 0.08 0.14 -0.63 1.06 5.75 -1.96 0.19 115.11 119.73 2uua h GLN 201 Ca 0.46 -0.01 0.09 0.00 -0.15 0.00 0.00 58.65 59.04 2uua h GLN 201 Cb 1.70 -0.03 -0.04 0.00 1.07 0.00 0.00 27.48 30.18 2uua h GLN 201 CO -0.05 0.10 0.42 -0.07 -2.65 0.00 0.00 178.83 176.58 2uua h LEU 202 N 0.15 0.45 0.65 -2.39 3.38 -1.63 -2.46 115.31 113.45 2uua h LEU 202 Ca 0.31 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.26 2uua h LEU 202 Cb 0.49 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 41.16 2uua h LEU 202 CO -0.48 0.27 -0.31 0.58 0.09 0.00 0.00 178.44 178.59 2uua h VAL 203 N 0.50 0.22 -1.00 1.22 2.07 -0.73 0.12 116.25 118.66 2uua h VAL 203 Ca 0.29 -0.27 0.38 0.00 0.82 0.00 0.00 66.70 67.92 2uua h VAL 203 Cb 0.48 0.29 -0.17 0.00 -1.52 0.00 0.00 31.29 30.36 2uua h VAL 203 CO -0.09 0.03 0.50 0.40 0.02 0.00 0.00 177.57 178.43 2uua h ILE 204 N -1.09 0.07 0.62 4.57 2.04 -1.06 0.58 117.51 123.25 2uua h ILE 204 Ca -0.09 -0.02 -0.03 0.00 1.00 0.00 0.00 64.86 65.72 2uua h ILE 204 Cb 0.71 -0.01 0.01 0.00 -0.74 0.00 0.00 36.82 36.78 2uua h ILE 204 CO 0.15 0.01 -0.30 -0.33 0.00 0.00 0.00 178.15 177.68 2uua h GLU 205 N 0.07 -0.81 -1.36 2.37 5.08 -1.03 -1.98 114.58 116.92 2uua h GLU 205 Ca 0.80 0.06 0.45 0.00 -1.00 0.00 0.00 59.36 59.67 2uua h GLU 205 Cb 2.03 0.18 -0.13 0.00 0.50 0.00 0.00 28.75 31.33 2uua h GLU 205 CO -0.75 -0.49 0.88 0.35 -1.00 0.00 0.00 179.01 178.00 2uua h PHE 206 N -1.09 0.50 0.00 4.33 3.57 0.28 0.81 116.94 125.34 2uua h PHE 206 Ca -0.09 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.44 2uua h PHE 206 Cb 0.69 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.31 2uua h PHE 206 CO 0.00 -0.23 -0.76 1.88 -2.23 0.00 0.00 178.31 176.97 2uua h TYR 207 N 0.05 0.00 0.00 0.41 0.99 -1.13 -3.31 116.97 113.98 2uua h TYR 207 Ca 0.85 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.58 2uua h TYR 207 Cb 2.71 0.00 0.00 0.00 1.00 0.00 0.00 36.73 40.44 2uua h TYR 207 CO -0.01 0.00 -0.01 0.77 -0.00 0.00 0.00 178.16 178.92 2uua h SER 208 N 0.00 0.00 0.00 3.88 0.02 0.14 -3.52 113.55 114.08 2uua h SER 208 Ca 0.00 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2uua h SER 208 Cb 0.81 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.35 2uua h SER 208 CO 0.00 0.00 0.00 -1.14 -1.14 0.00 0.00 176.83 174.55