#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ujp s THR 2 N 0.00 2.34 0.15 1.12 -4.23 -1.26 -4.01 115.64 109.75 1ujp s THR 2 Ca 0.00 0.11 -0.16 0.00 -1.18 0.00 0.00 61.69 60.46 1ujp s THR 2 Cb 0.00 -2.55 0.01 0.00 1.34 0.00 0.00 72.50 71.30 1ujp s THR 2 CO 0.00 -0.15 1.79 0.74 -0.54 0.00 0.00 174.62 176.46 1ujp h THR 3 N -1.80 1.03 -0.64 3.99 2.02 -1.98 -0.76 112.91 114.77 1ujp h THR 3 Ca -0.52 -0.15 0.01 0.00 0.77 0.00 0.00 66.41 66.52 1ujp h THR 3 Cb 1.31 0.57 -0.03 0.00 -1.74 0.00 0.00 68.15 68.25 1ujp h THR 3 CO 0.55 0.08 0.43 0.25 0.37 0.00 0.00 175.52 177.19 1ujp h LEU 4 N 0.43 0.74 -1.03 2.58 5.85 -1.92 -2.10 115.31 119.85 1ujp h LEU 4 Ca 0.15 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.80 1ujp h LEU 4 Cb 0.01 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 1ujp h LEU 4 CO -0.07 0.53 0.17 -0.33 -0.34 0.00 0.00 178.44 178.40 1ujp h GLU 5 N 0.87 0.86 -0.33 1.25 5.08 -1.81 -0.26 114.58 120.24 1ujp h GLU 5 Ca 0.24 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 1ujp h GLU 5 Cb -0.10 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.00 1ujp h GLU 5 CO -0.05 0.75 0.11 0.00 -1.00 0.00 0.00 179.01 178.82 1ujp h ALA 6 N 1.35 0.44 -0.50 3.43 0.00 -0.62 -0.66 119.26 122.69 1ujp h ALA 6 Ca 0.19 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 1ujp h ALA 6 Cb 0.26 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1ujp h ALA 6 CO -0.01 0.06 -0.14 0.74 0.00 0.00 0.00 179.25 179.90 1ujp h PHE 7 N 0.38 1.08 -0.77 0.00 -1.00 -1.15 -2.89 116.94 112.60 1ujp h PHE 7 Ca 0.11 -0.23 -0.05 0.00 2.81 0.00 0.00 57.97 60.60 1ujp h PHE 7 Cb 0.23 -0.26 -0.03 0.00 3.61 0.00 0.00 35.95 39.50 1ujp h PHE 7 CO 0.00 1.03 0.28 0.00 -1.61 0.00 0.00 178.31 178.02 1ujp h ALA 8 N 0.97 1.01 -0.63 2.45 0.00 -0.85 -1.61 119.26 120.60 1ujp h ALA 8 Ca 0.13 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1ujp h ALA 8 Cb 0.70 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1ujp h ALA 8 CO 0.05 0.66 0.34 -0.22 0.00 0.00 0.00 179.25 180.08 1ujp h LYS 9 N 1.14 0.89 -0.32 0.00 3.64 -1.03 0.06 116.57 120.95 1ujp h LYS 9 Ca 0.25 -0.11 -0.02 0.00 -1.27 0.00 0.00 60.65 59.50 1ujp h LYS 9 Cb 0.26 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 1ujp h LYS 9 CO -0.02 0.68 0.11 0.00 -2.27 0.00 0.00 179.45 177.96 1ujp h ALA 10 N 1.16 0.42 -0.65 5.00 0.00 -1.29 -2.40 119.26 121.50 1ujp h ALA 10 Ca 0.22 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1ujp h ALA 10 Cb 0.06 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1ujp h ALA 10 CO -0.03 0.05 0.32 -0.09 0.00 0.00 0.00 179.25 179.49 1ujp h ARG 11 N 0.36 0.93 0.00 0.00 2.43 -0.93 -1.30 114.38 115.87 1ujp h ARG 11 Ca 0.10 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 1ujp h ARG 11 Cb 0.23 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.61 1ujp h ARG 11 CO -0.00 0.74 -0.05 0.66 -1.51 0.00 0.00 179.97 179.80 1ujp h SER 12 N 0.89 0.00 -0.16 -3.80 4.64 -0.85 0.60 113.55 114.87 1ujp h SER 12 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1ujp h SER 12 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1ujp h SER 12 CO -0.03 0.05 0.00 -0.62 -0.87 0.00 0.00 176.83 175.36 1ujp n GLU 13 N -3.49 1.87 -2.43 4.77 1.02 -0.55 -4.95 120.64 116.87 1ujp n GLU 13 Ca -0.02 -1.30 -0.09 0.00 -0.02 0.00 0.00 57.16 55.73 1ujp n GLU 13 Cb 0.16 -1.43 0.01 0.00 -0.02 0.00 0.00 31.44 30.16 1ujp n GLU 13 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ujp n GLY 14 N 1.21 0.14 3.14 0.62 0.00 0.20 -4.96 105.19 105.54 1ujp n GLY 14 Ca 0.17 -0.45 -0.08 0.00 0.00 0.00 0.00 46.02 45.65 1ujp n GLY 14 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1ujp s ARG 15 N -4.81 0.68 0.30 1.61 1.70 -0.82 -1.44 118.95 116.17 1ujp s ARG 15 Ca 0.08 -0.96 -0.27 0.00 -0.47 0.00 0.00 55.73 54.11 1ujp s ARG 15 Cb -0.04 0.26 -0.10 0.00 -0.57 0.00 0.00 34.95 34.51 1ujp s ARG 15 CO 0.10 -0.18 0.96 0.00 -1.08 0.00 0.00 175.30 175.11 1ujp s ALA 16 N -3.42 3.26 0.53 7.88 0.00 -0.67 -3.58 121.76 125.76 1ujp s ALA 16 Ca 0.02 0.59 -0.21 0.00 0.00 0.00 0.00 51.96 52.37 1ujp s ALA 16 Cb 0.04 -3.21 -0.05 0.00 0.00 0.00 0.00 23.12 19.89 1ujp s ALA 16 CO -0.08 0.14 1.19 0.00 0.00 0.00 0.00 175.76 177.01 1ujp s ALA 17 N -1.45 2.74 -0.22 0.00 0.00 0.04 -4.83 121.76 118.05 1ujp s ALA 17 Ca 0.47 0.98 -0.07 0.00 0.00 0.00 0.00 51.96 53.34 1ujp s ALA 17 Cb -0.22 -3.42 -0.03 0.00 0.00 0.00 0.00 23.12 19.45 1ujp s ALA 17 CO 0.28 -0.93 0.05 -1.17 0.00 0.00 0.00 175.76 173.99 1ujp s LEU 18 N -3.62 3.50 -0.48 0.00 0.20 -1.26 -0.49 118.68 116.54 1ujp s LEU 18 Ca 0.71 -0.13 0.04 0.00 0.69 0.00 0.00 54.13 55.44 1ujp s LEU 18 Cb -0.29 -1.91 0.12 0.00 -0.43 0.00 0.00 46.19 43.68 1ujp s LEU 18 CO 0.34 0.04 0.21 -0.63 -0.29 0.00 0.00 176.35 176.02 1ujp s ILE 19 N 1.16 2.56 0.44 6.68 1.01 -0.10 -1.35 121.20 131.60 1ujp s ILE 19 Ca 0.04 -3.06 -0.25 0.00 0.00 0.00 0.00 60.65 57.39 1ujp s ILE 19 Cb -0.14 -2.80 -0.08 0.00 0.01 0.00 0.00 42.46 39.45 1ujp s ILE 19 CO 0.03 -0.75 1.29 -2.84 0.00 0.00 0.00 174.94 172.67 1ujp s PRO 20 N 0.03 3.78 -0.16 2.79 0.02 -1.24 -1.32 135.00 138.90 1ujp s PRO 20 Ca 0.15 2.10 0.00 0.00 0.02 0.00 0.00 61.00 63.28 1ujp s PRO 20 Cb -0.24 -2.60 0.03 0.00 0.02 0.00 0.00 34.50 31.71 1ujp s PRO 20 CO -0.02 -0.63 -0.11 -0.47 -0.33 0.00 0.00 177.00 175.44 1ujp s TYR 21 N -1.32 2.04 -0.06 6.54 5.04 -0.19 -1.13 117.35 128.26 1ujp s TYR 21 Ca 0.61 -1.21 0.04 0.00 -2.44 0.00 0.00 57.07 54.07 1ujp s TYR 21 Cb -0.37 -1.50 -0.00 0.00 0.35 0.00 0.00 41.96 40.44 1ujp s TYR 21 CO 0.46 -0.65 -0.19 -0.51 -1.34 0.00 0.00 175.55 173.32 1ujp s LEU 22 N 1.53 1.93 -0.04 6.97 1.43 -0.28 -4.43 118.68 125.79 1ujp s LEU 22 Ca 0.03 -0.40 -0.30 0.00 -1.03 0.00 0.00 54.13 52.43 1ujp s LEU 22 Cb -0.14 -1.08 -0.03 0.00 0.03 0.00 0.00 46.19 44.97 1ujp s LEU 22 CO -0.09 0.15 1.04 -0.89 0.23 0.00 0.00 176.35 176.79 1ujp s THR 23 N 0.14 4.68 0.15 5.49 2.01 -1.26 -0.77 115.64 126.08 1ujp s THR 23 Ca -0.07 1.94 -0.32 0.00 0.31 0.00 0.00 61.69 63.55 1ujp s THR 23 Cb -0.13 -4.24 -0.12 0.00 0.01 0.00 0.00 72.50 68.02 1ujp s THR 23 CO 0.04 0.08 1.77 0.00 -0.69 0.00 0.00 174.62 175.82 1ujp n ALA 24 N 4.44 2.30 -0.81 7.40 0.00 0.10 -2.33 120.51 131.61 1ujp n ALA 24 Ca 0.08 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.88 1ujp n ALA 24 Cb 0.49 -2.54 0.00 0.00 0.00 0.00 0.00 19.45 17.40 1ujp n ALA 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ujp n GLY 25 N 4.06 0.60 3.44 0.00 0.00 -1.26 -4.69 105.19 107.34 1ujp n GLY 25 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 1ujp n GLY 25 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ujp s PHE 26 N -2.03 2.82 -0.25 1.61 2.19 -0.98 -2.09 117.98 119.24 1ujp s PHE 26 Ca 0.00 -0.38 0.28 0.00 0.33 0.00 0.00 56.93 57.16 1ujp s PHE 26 Cb 0.00 -1.78 1.07 0.00 -1.31 0.00 0.00 43.02 41.00 1ujp s PHE 26 CO 0.00 -0.01 1.83 -1.35 1.83 0.00 0.00 175.22 177.52 1ujp h PRO 27 N 6.14 0.00 -3.19 10.12 0.11 -1.89 -3.28 132.00 140.02 1ujp h PRO 27 Ca -0.35 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.77 1ujp h PRO 27 Cb 1.19 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.25 1ujp h PRO 27 CO 0.55 0.00 0.15 -1.54 -0.21 0.00 0.00 178.00 176.95 1ujp s SER 28 N -5.07 -0.10 0.10 -2.05 1.04 -0.89 -4.78 113.70 101.94 1ujp s SER 28 Ca 0.04 -0.84 -0.21 0.00 0.48 0.00 0.00 55.95 55.42 1ujp s SER 28 Cb 0.09 0.73 -0.09 0.00 0.10 0.00 0.00 66.02 66.84 1ujp s SER 28 CO 0.50 -1.38 1.70 -0.09 0.98 0.00 0.00 173.24 174.95 1ujp h ARG 29 N 2.05 0.21 -0.41 4.02 2.43 -1.92 0.69 114.38 121.46 1ujp h ARG 29 Ca -0.24 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 58.79 1ujp h ARG 29 Cb 1.25 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.74 1ujp h ARG 29 CO 0.30 0.21 -0.21 1.05 -1.51 0.00 0.00 179.97 179.82 1ujp h GLU 30 N 0.16 0.80 -0.70 0.20 4.11 -1.97 -2.32 114.58 114.85 1ujp h GLU 30 Ca 0.05 -0.31 -0.05 0.00 0.07 0.00 0.00 59.36 59.12 1ujp h GLU 30 Cb 0.06 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 1ujp h GLU 30 CO -0.01 0.93 0.23 0.78 0.07 0.00 0.00 179.01 181.01 1ujp h GLY 31 N 0.96 1.16 0.88 1.06 0.00 -1.83 -1.35 103.07 103.94 1ujp h GLY 31 Ca 0.10 -0.66 -0.01 0.00 0.00 0.00 0.00 47.33 46.75 1ujp h GLY 31 CO 0.06 0.62 0.07 -2.75 0.00 0.00 0.00 176.54 174.54 1ujp h PHE 32 N 1.04 0.31 -0.37 5.60 3.04 -0.64 -0.90 116.94 125.03 1ujp h PHE 32 Ca 0.23 -0.03 -0.03 0.00 3.98 0.00 0.00 57.97 62.12 1ujp h PHE 32 Cb 0.28 -0.09 -0.02 0.00 2.56 0.00 0.00 35.95 38.68 1ujp h PHE 32 CO 0.02 0.37 0.08 -0.07 -2.02 0.00 0.00 178.31 176.69 1ujp h LEU 33 N 0.17 0.49 -0.42 0.59 3.38 -1.17 -0.20 115.31 118.15 1ujp h LEU 33 Ca 0.07 -0.07 -0.18 0.00 0.09 0.00 0.00 57.88 57.79 1ujp h LEU 33 Cb 0.19 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 1ujp h LEU 33 CO -0.00 0.51 -0.70 -0.61 0.09 0.00 0.00 178.44 177.73 1ujp h GLN 34 N 0.53 0.44 -0.69 1.13 5.75 -1.03 -2.45 115.11 118.78 1ujp h GLN 34 Ca 0.12 -0.34 -0.05 0.00 -0.15 0.00 0.00 58.65 58.23 1ujp h GLN 34 Cb 0.22 0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.81 1ujp h GLN 34 CO -0.00 0.97 0.22 0.00 -2.65 0.00 0.00 178.83 177.37 1ujp h ALA 35 N 0.94 0.90 -0.43 3.38 0.00 -0.45 -1.67 119.26 121.92 1ujp h ALA 35 Ca -0.02 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.70 1ujp h ALA 35 Cb 1.27 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 1ujp h ALA 35 CO 0.12 0.57 0.22 0.28 0.00 0.00 0.00 179.25 180.45 1ujp h VAL 36 N 1.01 0.98 -0.85 0.00 2.07 -0.92 -0.33 116.25 118.21 1ujp h VAL 36 Ca 0.22 -0.15 0.02 0.00 0.82 0.00 0.00 66.70 67.61 1ujp h VAL 36 Cb 0.29 0.49 -0.05 0.00 -1.52 0.00 0.00 31.29 30.50 1ujp h VAL 36 CO -0.01 0.08 0.55 -0.08 0.02 0.00 0.00 177.57 178.14 1ujp h GLU 37 N 0.45 1.07 -0.23 1.57 4.81 -1.01 -0.97 114.58 120.26 1ujp h GLU 37 Ca 0.18 -0.06 -0.14 0.00 -0.13 0.00 0.00 59.36 59.22 1ujp h GLU 37 Cb 0.08 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 1ujp h GLU 37 CO -0.12 0.71 -0.42 0.93 -0.73 0.00 0.00 179.01 179.38 1ujp h GLU 38 N 1.10 0.56 0.00 1.92 5.08 -0.61 -3.28 114.58 119.35 1ujp h GLU 38 Ca 0.33 -0.29 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 1ujp h GLU 38 Cb -0.06 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1ujp h GLU 38 CO -0.09 0.88 -0.87 -0.39 -1.00 0.00 0.00 179.01 177.54 1ujp h VAL 39 N 0.46 0.14 -0.80 3.13 -1.51 -0.82 -3.39 116.25 113.46 1ujp h VAL 39 Ca 0.04 -1.25 0.17 0.00 -1.23 0.00 0.00 66.70 64.42 1ujp h VAL 39 Cb 0.92 1.74 -0.11 0.00 -2.13 0.00 0.00 31.29 31.72 1ujp h VAL 39 CO 0.08 0.08 0.31 -0.07 -1.23 0.00 0.00 177.57 176.74 1ujp h LEU 40 N 0.00 0.25 -2.68 4.19 3.38 -1.24 0.14 115.31 119.34 1ujp h LEU 40 Ca -0.03 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1ujp h LEU 40 Cb 1.13 0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1ujp h LEU 40 CO 0.01 0.05 0.00 -0.65 0.09 0.00 0.00 178.44 177.94 1ujp h PRO 41 N 0.40 0.00 -0.01 1.13 0.11 -1.78 -1.09 132.00 130.76 1ujp h PRO 41 Ca 0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.57 1ujp h PRO 41 Cb 0.78 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.89 1ujp h PRO 41 CO -0.47 0.00 -0.30 0.66 -0.21 0.00 0.00 178.00 177.68 1ujp n TYR 42 N -2.92 0.00 -3.35 0.65 4.02 0.40 -4.98 117.16 110.98 1ujp n TYR 42 Ca -0.03 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.48 1ujp n TYR 42 Cb 0.07 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.32 1ujp n TYR 42 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1ujp s ALA 43 N -1.89 3.54 -0.03 -0.72 0.00 -0.42 -4.58 121.76 117.67 1ujp s ALA 43 Ca 0.15 -0.44 0.08 0.00 0.00 0.00 0.00 51.96 51.75 1ujp s ALA 43 Cb 0.14 -2.67 -0.24 0.00 0.00 0.00 0.00 23.12 20.35 1ujp s ALA 43 CO 0.39 -0.27 0.72 -0.44 0.00 0.00 0.00 175.76 176.17 1ujp h ASP 44 N 7.25 0.08 -5.14 0.00 5.19 -1.52 -3.47 116.42 118.81 1ujp h ASP 44 Ca -0.36 -0.16 -0.09 0.00 -0.62 0.00 0.00 57.03 55.80 1ujp h ASP 44 Cb 1.16 -0.03 -0.14 0.00 0.18 0.00 0.00 39.33 40.50 1ujp h ASP 44 CO 0.73 1.14 -0.35 -0.76 -3.12 0.00 0.00 179.24 176.88 1ujp s LEU 45 N -6.35 1.33 -0.04 1.55 1.02 -1.25 -4.45 118.68 110.50 1ujp s LEU 45 Ca -0.06 -0.59 0.03 0.00 0.02 0.00 0.00 54.13 53.53 1ujp s LEU 45 Cb 0.08 1.10 0.01 0.00 0.02 0.00 0.00 46.19 47.39 1ujp s LEU 45 CO 0.82 -0.72 -0.10 -0.22 0.02 0.00 0.00 176.35 176.15 1ujp s LEU 46 N -2.76 1.73 -0.16 1.79 2.96 -0.51 -3.68 118.68 118.05 1ujp s LEU 46 Ca 0.03 -0.22 -0.04 0.00 -0.22 0.00 0.00 54.13 53.68 1ujp s LEU 46 Cb 0.04 -0.65 -0.03 0.00 0.50 0.00 0.00 46.19 46.05 1ujp s LEU 46 CO -0.10 0.06 -0.01 -0.70 -1.32 0.00 0.00 176.35 174.27 1ujp s GLU 47 N 0.34 3.73 -0.16 1.98 2.12 -0.29 -0.96 118.70 125.46 1ujp s GLU 47 Ca -0.06 -0.48 0.01 0.00 0.36 0.00 0.00 54.97 54.80 1ujp s GLU 47 Cb -0.11 -2.98 0.01 0.00 0.26 0.00 0.00 34.13 31.31 1ujp s GLU 47 CO 0.01 0.26 -0.19 0.42 -0.54 0.00 0.00 175.26 175.23 1ujp s ILE 48 N 0.32 2.28 -0.04 -3.70 1.01 0.54 -1.12 121.20 120.48 1ujp s ILE 48 Ca -0.02 -0.89 -0.15 0.00 0.00 0.00 0.00 60.65 59.59 1ujp s ILE 48 Cb -0.14 -1.94 -0.05 0.00 0.01 0.00 0.00 42.46 40.34 1ujp s ILE 48 CO 0.02 0.53 0.39 -0.83 0.00 0.00 0.00 174.94 175.05 1ujp s GLY 49 N 0.97 2.41 -0.37 6.18 0.00 0.05 -0.84 107.32 115.72 1ujp s GLY 49 Ca -0.03 -0.27 -0.20 0.00 0.00 0.00 0.00 44.72 44.22 1ujp s GLY 49 CO -0.04 0.24 0.64 -2.27 0.00 0.00 0.00 173.10 171.66 1ujp s LEU 50 N -0.64 4.30 0.27 0.66 2.96 -0.21 -0.72 118.68 125.29 1ujp s LEU 50 Ca 0.23 0.05 -0.30 0.00 -0.22 0.00 0.00 54.13 53.89 1ujp s LEU 50 Cb -0.16 -2.77 -0.13 0.00 0.50 0.00 0.00 46.19 43.62 1ujp s LEU 50 CO 0.11 -0.63 1.29 -2.65 -1.32 0.00 0.00 176.35 173.16 1ujp n PRO 51 N 6.09 1.89 -3.76 0.98 -0.02 -1.26 -4.75 135.00 134.16 1ujp n PRO 51 Ca -0.01 0.67 -0.13 0.00 -2.02 0.00 0.00 63.50 62.01 1ujp n PRO 51 Cb 0.48 -2.25 -0.12 0.00 -0.02 0.00 0.00 33.50 31.59 1ujp n PRO 51 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1ujp s TYR 52 N -0.52 -0.29 0.18 6.00 5.04 -1.26 -4.99 117.35 121.52 1ujp s TYR 52 Ca 0.63 0.70 -0.18 0.00 -2.44 0.00 0.00 57.07 55.78 1ujp s TYR 52 Cb -0.65 0.07 0.13 0.00 0.35 0.00 0.00 41.96 41.86 1ujp s TYR 52 CO 0.55 -0.17 1.63 0.66 -1.34 0.00 0.00 175.55 176.88 1ujp h SER 53 N 6.38 -0.69 -3.63 4.32 4.64 -1.95 -3.47 113.55 119.16 1ujp h SER 53 Ca -0.32 0.17 -0.67 0.00 -0.47 0.00 0.00 61.79 60.50 1ujp h SER 53 Cb 1.18 0.39 -0.17 0.00 -0.31 0.00 0.00 62.40 63.48 1ujp h SER 53 CO 0.37 -0.23 -0.27 -1.81 -0.87 0.00 0.00 176.83 174.02 1ujp s ASP 54 N -5.16 6.18 0.99 4.97 1.11 -1.26 -5.03 116.67 118.47 1ujp s ASP 54 Ca -0.14 -0.33 -0.26 0.00 0.18 0.00 0.00 52.55 51.99 1ujp s ASP 54 Cb 0.16 -2.20 -0.17 0.00 1.07 0.00 0.00 42.92 41.78 1ujp s ASP 54 CO 0.71 -0.40 -1.37 0.61 1.18 0.00 0.00 175.17 175.90 1ujp n GLY 59 N 4.99 -2.87 0.18 0.21 0.00 -1.26 -5.07 105.19 101.37 1ujp n GLY 59 Ca -0.09 -0.16 0.02 0.00 0.00 0.00 0.00 46.02 45.80 1ujp n GLY 59 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ujp h PRO 60 N -1.13 0.00 0.23 1.61 0.13 -2.00 -2.54 132.00 128.30 1ujp h PRO 60 Ca -0.38 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.74 1ujp h PRO 60 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1ujp h PRO 60 CO 0.21 0.40 -0.11 0.28 -0.23 0.00 0.00 178.00 178.55 1ujp h VAL 61 N 0.00 0.83 -0.70 1.56 2.07 -1.99 -1.34 116.25 116.68 1ujp h VAL 61 Ca -0.00 -0.41 -0.07 0.00 0.82 0.00 0.00 66.70 67.04 1ujp h VAL 61 Cb 0.72 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 31.53 1ujp h VAL 61 CO 0.05 0.09 0.18 0.40 0.02 0.00 0.00 177.57 178.31 1ujp h ILE 62 N -0.52 1.26 -0.84 4.57 1.08 -1.93 -2.33 117.51 118.80 1ujp h ILE 62 Ca -0.03 -0.95 0.05 0.00 -0.39 0.00 0.00 64.86 63.53 1ujp h ILE 62 Cb 0.39 0.53 -0.05 0.00 -3.07 0.00 0.00 36.82 34.62 1ujp h ILE 62 CO 0.05 0.37 0.55 1.56 -0.69 0.00 0.00 178.15 179.99 1ujp h GLN 63 N 1.05 0.96 -0.41 2.37 4.20 -1.36 -0.79 115.11 121.14 1ujp h GLN 63 Ca 0.22 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.87 1ujp h GLN 63 Cb 0.36 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 1ujp h GLN 63 CO 0.00 0.64 0.23 -0.09 -0.67 0.00 0.00 178.83 178.93 1ujp h ARG 64 N 0.99 0.56 -0.49 1.46 2.43 -0.71 -0.19 114.38 118.43 1ujp h ARG 64 Ca 0.34 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.42 1ujp h ARG 64 Cb 0.11 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 1ujp h ARG 64 CO -0.11 0.44 0.16 0.00 -1.51 0.00 0.00 179.97 178.96 1ujp h ALA 65 N 1.09 0.64 -0.67 2.80 0.00 -0.93 -2.19 119.26 119.99 1ujp h ALA 65 Ca 0.14 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1ujp h ALA 65 Cb 0.04 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1ujp h ALA 65 CO -0.02 0.28 0.12 0.77 0.00 0.00 0.00 179.25 180.40 1ujp h SER 66 N 0.65 1.04 0.22 0.00 0.02 -1.01 -1.63 113.55 112.85 1ujp h SER 66 Ca 0.16 -0.24 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1ujp h SER 66 Cb 0.25 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.50 1ujp h SER 66 CO -0.01 1.02 -0.22 -0.08 -1.14 0.00 0.00 176.83 176.41 1ujp h GLU 67 N 1.02 -0.45 -0.66 3.45 4.57 -0.78 -1.14 114.58 120.59 1ujp h GLU 67 Ca 0.21 0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.37 1ujp h GLU 67 Cb 0.42 0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 29.08 1ujp h GLU 67 CO 0.01 -0.30 0.25 1.25 -1.18 0.00 0.00 179.01 179.04 1ujp h LEU 68 N -0.47 0.92 -1.08 1.64 5.85 -1.31 -0.73 115.31 120.13 1ujp h LEU 68 Ca -0.00 -0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.57 1ujp h LEU 68 Cb 0.43 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.17 1ujp h LEU 68 CO -0.05 0.85 0.62 0.00 -0.34 0.00 0.00 178.44 179.53 1ujp h ALA 69 N 1.10 1.39 -0.27 1.25 0.00 -1.11 -1.40 119.26 120.22 1ujp h ALA 69 Ca 0.22 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 1ujp h ALA 69 Cb 0.23 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1ujp h ALA 69 CO -0.02 0.53 -0.19 -0.07 0.00 0.00 0.00 179.25 179.50 1ujp h LEU 70 N 1.20 0.63 -2.01 0.00 3.38 -0.77 -1.37 115.31 116.36 1ujp h LEU 70 Ca 0.37 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1ujp h LEU 70 Cb -0.01 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 1ujp h LEU 70 CO -0.11 0.94 0.01 0.03 0.09 0.00 0.00 178.44 179.40 1ujp h ARG 71 N 0.33 0.00 -0.43 1.13 3.08 -0.60 -0.76 114.38 117.13 1ujp h ARG 71 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1ujp h ARG 71 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.78 1ujp h ARG 71 CO 0.05 0.00 0.00 1.63 -1.07 0.00 0.00 179.97 180.58 1ujp n LYS 72 N -4.52 1.99 -0.23 0.04 5.02 -0.58 -4.92 118.16 114.96 1ujp n LYS 72 Ca -0.03 -1.33 0.00 0.00 -2.02 0.00 0.00 58.31 54.93 1ujp n LYS 72 Cb 0.10 -1.37 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 1ujp n LYS 72 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ujp n GLY 73 N 0.96 0.84 3.76 0.72 0.00 -0.29 -5.00 105.19 106.18 1ujp n GLY 73 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 1ujp n GLY 73 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1ujp s MET 74 N -0.77 3.73 0.32 1.61 0.00 -0.53 -4.93 119.30 118.72 1ujp s MET 74 Ca 0.00 2.25 -0.06 0.00 0.00 0.00 0.00 55.69 57.88 1ujp s MET 74 Cb 0.00 -2.63 0.00 0.00 0.00 0.00 0.00 34.83 32.21 1ujp s MET 74 CO 0.00 -0.73 0.48 -1.54 0.00 0.00 0.00 175.02 173.24 1ujp s SER 75 N -0.71 0.58 0.19 1.11 1.04 -1.26 -4.73 113.70 109.92 1ujp s SER 75 Ca 0.61 -1.33 -0.12 0.00 0.48 0.00 0.00 55.95 55.59 1ujp s SER 75 Cb -0.40 0.65 0.11 0.00 0.10 0.00 0.00 66.02 66.48 1ujp s SER 75 CO 0.51 -1.27 1.85 0.58 0.98 0.00 0.00 173.24 175.89 1ujp h VAL 76 N 2.16 1.18 -0.68 5.02 2.07 -1.94 0.14 116.25 124.19 1ujp h VAL 76 Ca -0.28 -0.35 -0.06 0.00 0.82 0.00 0.00 66.70 66.83 1ujp h VAL 76 Cb 1.24 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 1ujp h VAL 76 CO 0.39 0.17 0.19 1.56 0.02 0.00 0.00 177.57 179.90 1ujp h GLN 77 N 0.89 1.07 -0.40 1.57 1.08 -1.99 -0.28 115.11 117.04 1ujp h GLN 77 Ca 0.24 -0.24 -0.07 0.00 -1.45 0.00 0.00 58.65 57.13 1ujp h GLN 77 Cb -0.07 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.19 1ujp h GLN 77 CO -0.05 0.93 -0.05 0.78 -0.95 0.00 0.00 178.83 179.49 1ujp h GLY 78 N 1.07 0.72 1.61 3.46 0.00 -1.74 -2.69 103.07 105.52 1ujp h GLY 78 Ca 0.22 -0.49 -0.16 0.00 0.00 0.00 0.00 47.33 46.90 1ujp h GLY 78 CO -0.00 0.45 -0.62 0.00 0.00 0.00 0.00 176.54 176.37 1ujp h ALA 79 N 1.32 0.72 -0.47 3.60 0.00 -0.22 -2.47 119.26 121.74 1ujp h ALA 79 Ca 0.12 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1ujp h ALA 79 Cb 0.47 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1ujp h ALA 79 CO 0.02 0.72 0.25 -0.07 0.00 0.00 0.00 179.25 180.17 1ujp h LEU 80 N 0.29 0.59 -0.82 0.00 3.38 -0.80 0.27 115.31 118.23 1ujp h LEU 80 Ca -0.01 -0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.76 1ujp h LEU 80 Cb 1.16 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 1ujp h LEU 80 CO 0.11 0.52 -0.22 -0.08 0.09 0.00 0.00 178.44 178.86 1ujp h GLU 81 N 0.61 0.64 -0.43 1.13 4.57 -1.45 -1.79 114.58 117.87 1ujp h GLU 81 Ca 0.16 -0.25 -0.09 0.00 -1.18 0.00 0.00 59.36 58.01 1ujp h GLU 81 Cb 0.07 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.60 1ujp h GLU 81 CO -0.02 0.81 -0.10 -0.07 -1.18 0.00 0.00 179.01 178.45 1ujp h LEU 82 N 0.57 0.74 -0.75 1.64 3.38 -1.00 -0.13 115.31 119.75 1ujp h LEU 82 Ca 0.08 -0.22 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 1ujp h LEU 82 Cb 0.69 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 1ujp h LEU 82 CO 0.05 0.87 0.25 0.58 0.09 0.00 0.00 178.44 180.28 1ujp h VAL 83 N 0.69 1.26 -0.68 1.22 2.07 -0.61 0.28 116.25 120.48 1ujp h VAL 83 Ca 0.12 -0.89 -0.04 0.00 0.82 0.00 0.00 66.70 66.71 1ujp h VAL 83 Cb 0.57 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 1ujp h VAL 83 CO 0.04 0.35 0.28 0.03 0.02 0.00 0.00 177.57 178.29 1ujp h ARG 84 N 1.11 1.01 -0.03 1.57 3.08 -0.71 0.24 114.38 120.64 1ujp h ARG 84 Ca 0.24 -0.18 -0.13 0.00 0.07 0.00 0.00 59.98 59.99 1ujp h ARG 84 Cb 0.29 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 1ujp h ARG 84 CO -0.01 0.83 -0.59 0.93 -1.07 0.00 0.00 179.97 180.06 1ujp h GLU 85 N 0.96 0.10 -0.26 0.04 5.08 -0.61 -1.44 114.58 118.45 1ujp h GLU 85 Ca 0.23 -0.07 -0.19 0.00 -1.00 0.00 0.00 59.36 58.33 1ujp h GLU 85 Cb 0.19 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1ujp h GLU 85 CO -0.02 0.66 -0.59 0.28 -1.00 0.00 0.00 179.01 178.34 1ujp h VAL 86 N 0.08 1.27 -0.09 3.13 2.07 -0.66 -2.88 116.25 119.17 1ujp h VAL 86 Ca -0.01 -1.77 -0.02 0.00 0.82 0.00 0.00 66.70 65.73 1ujp h VAL 86 Cb 1.06 1.70 -0.01 0.00 -1.52 0.00 0.00 31.29 32.52 1ujp h VAL 86 CO 0.08 0.57 -0.01 -0.09 0.02 0.00 0.00 177.57 178.14 1ujp h ARG 87 N 0.64 0.13 0.00 1.57 9.65 -0.71 0.25 114.38 125.91 1ujp h ARG 87 Ca 0.00 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 1ujp h ARG 87 Cb 1.20 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.75 1ujp h ARG 87 CO 0.13 0.16 0.00 0.00 2.80 0.00 0.00 179.97 183.06 1ujp h ALA 88 N 1.86 1.00 0.00 2.80 0.00 -1.05 -3.06 119.26 120.81 1ujp h ALA 88 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1ujp h ALA 88 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1ujp h ALA 88 CO 0.00 0.00 -1.60 1.28 0.00 0.00 0.00 179.25 178.93 1ujp n LEU 89 N -2.73 0.33 -3.67 0.00 4.77 0.02 -5.01 117.00 110.72 1ujp n LEU 89 Ca 0.01 0.10 -0.12 0.00 -0.03 0.00 0.00 56.01 55.97 1ujp n LEU 89 Cb 0.29 -0.03 -0.06 0.00 -2.33 0.00 0.00 43.42 41.29 1ujp n LEU 89 CO 0.25 -0.06 0.14 0.28 -1.33 0.00 0.00 177.39 176.67 1ujp s THR 90 N -3.44 0.06 -2.76 -5.08 -1.32 -0.88 -5.01 115.64 97.21 1ujp s THR 90 Ca -0.05 -0.52 0.22 0.00 -1.21 0.00 0.00 61.69 60.14 1ujp s THR 90 Cb 0.13 -1.01 0.17 0.00 -1.51 0.00 0.00 72.50 70.28 1ujp s THR 90 CO 0.86 -0.29 1.20 -0.62 -2.21 0.00 0.00 174.62 173.57 1ujp n GLU 91 N 0.34 2.07 -1.66 7.08 1.02 -1.26 -4.60 120.64 123.63 1ujp n GLU 91 Ca -0.18 -1.80 -0.33 0.00 -0.02 0.00 0.00 57.16 54.83 1ujp n GLU 91 Cb 0.61 -1.43 0.06 0.00 -0.02 0.00 0.00 31.44 30.66 1ujp n GLU 91 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1ujp s LYS 92 N -1.88 2.61 0.27 3.49 1.02 -1.26 -4.16 119.74 119.83 1ujp s LYS 92 Ca 0.26 1.48 -0.31 0.00 0.02 0.00 0.00 55.97 57.42 1ujp s LYS 92 Cb 0.19 -1.92 -0.12 0.00 -0.52 0.00 0.00 37.83 35.46 1ujp s LYS 92 CO 0.29 -1.42 1.59 -2.30 -0.92 0.00 0.00 175.35 172.59 1ujp n PRO 93 N -2.52 2.60 -4.17 -1.68 -0.02 -1.26 -4.88 135.00 123.07 1ujp n PRO 93 Ca 0.11 0.93 -0.31 0.00 -2.02 0.00 0.00 63.50 62.21 1ujp n PRO 93 Cb 0.52 -2.70 -0.16 0.00 -0.02 0.00 0.00 33.50 31.13 1ujp n PRO 93 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1ujp s LEU 94 N -0.09 1.87 -0.11 2.45 1.43 -1.26 -1.42 118.68 121.55 1ujp s LEU 94 Ca 0.67 -0.54 0.01 0.00 -1.03 0.00 0.00 54.13 53.24 1ujp s LEU 94 Cb -0.52 -1.29 -0.01 0.00 0.03 0.00 0.00 46.19 44.39 1ujp s LEU 94 CO 0.46 -0.02 -0.16 -0.36 0.23 0.00 0.00 176.35 176.50 1ujp s PHE 95 N 1.30 2.73 -0.25 0.29 0.08 -0.14 -0.07 117.98 121.92 1ujp s PHE 95 Ca 0.02 -0.69 -0.14 0.00 0.12 0.00 0.00 56.93 56.25 1ujp s PHE 95 Cb -0.13 -1.78 -0.04 0.00 -0.57 0.00 0.00 43.02 40.49 1ujp s PHE 95 CO -0.09 -0.22 0.33 -1.17 -0.10 0.00 0.00 175.22 173.96 1ujp s LEU 96 N 0.22 4.08 -0.20 -0.37 2.96 -0.40 -0.34 118.68 124.63 1ujp s LEU 96 Ca -0.10 0.29 -0.19 0.00 -0.22 0.00 0.00 54.13 53.92 1ujp s LEU 96 Cb -0.16 -2.37 -0.03 0.00 0.50 0.00 0.00 46.19 44.13 1ujp s LEU 96 CO 0.06 -0.10 0.53 -0.32 -1.32 0.00 0.00 176.35 175.20 1ujp s MET 97 N 1.65 4.19 -0.06 1.98 -2.45 -0.02 -0.60 119.30 123.99 1ujp s MET 97 Ca 0.14 0.43 -0.11 0.00 -1.25 0.00 0.00 55.69 54.90 1ujp s MET 97 Cb -0.15 -3.56 0.02 0.00 1.25 0.00 0.00 34.83 32.39 1ujp s MET 97 CO 0.09 -0.16 0.27 -0.08 1.05 0.00 0.00 175.02 176.19 1ujp s THR 98 N 1.66 0.03 0.71 10.11 -1.32 -0.74 -1.05 115.64 125.05 1ujp s THR 98 Ca 0.25 -0.28 -0.11 0.00 -1.21 0.00 0.00 61.69 60.33 1ujp s THR 98 Cb -0.15 -0.48 0.02 0.00 -1.51 0.00 0.00 72.50 70.37 1ujp s THR 98 CO 0.10 -0.15 1.10 -0.31 -2.21 0.00 0.00 174.62 173.14 1ujp s TYR 99 N -0.62 3.30 0.24 9.09 1.51 -1.26 -4.20 117.35 125.42 1ujp s TYR 99 Ca -0.07 1.05 0.02 0.00 -1.01 0.00 0.00 57.07 57.06 1ujp s TYR 99 Cb -0.04 -3.07 0.27 0.00 -0.11 0.00 0.00 41.96 39.00 1ujp s TYR 99 CO 0.02 -1.20 1.59 1.25 -1.11 0.00 0.00 175.55 176.10 1ujp h LEU 100 N -0.67 0.42 -0.48 -1.29 5.85 -1.97 -3.36 115.31 113.82 1ujp h LEU 100 Ca -0.45 -0.21 0.09 0.00 0.84 0.00 0.00 57.88 58.16 1ujp h LEU 100 Cb 1.25 -0.12 -0.10 0.00 0.37 0.00 0.00 40.66 42.06 1ujp h LEU 100 CO 0.64 0.84 -0.28 -1.13 -0.34 0.00 0.00 178.44 178.18 1ujp h ASN 101 N 0.31 -0.94 -0.03 1.25 -0.73 -1.99 0.51 115.58 113.97 1ujp h ASN 101 Ca 0.01 0.19 -0.02 0.00 1.87 0.00 0.00 56.30 58.36 1ujp h ASN 101 Cb 0.98 0.47 -0.01 0.00 0.27 0.00 0.00 38.32 40.03 1ujp h ASN 101 CO 0.08 -0.28 -0.02 1.55 -0.37 0.00 0.00 177.43 178.39 1ujp h PRO 102 N -0.17 0.15 -0.47 6.67 0.13 -2.00 -1.61 132.00 134.71 1ujp h PRO 102 Ca 0.21 -0.02 -0.10 0.00 -0.87 0.00 0.00 66.00 65.22 1ujp h PRO 102 Cb 0.51 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.60 1ujp h PRO 102 CO -0.58 0.19 -0.09 0.28 -0.23 0.00 0.00 178.00 177.57 1ujp h VAL 103 N 0.15 1.27 -0.33 1.56 2.07 -1.12 -2.36 116.25 117.49 1ujp h VAL 103 Ca 0.04 -1.21 -0.11 0.00 0.82 0.00 0.00 66.70 66.23 1ujp h VAL 103 Cb 0.14 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 1ujp h VAL 103 CO 0.00 0.42 -0.27 -0.07 0.02 0.00 0.00 177.57 177.68 1ujp h LEU 104 N 0.74 0.68 -0.44 2.57 3.38 -0.65 -0.32 115.31 121.27 1ujp h LEU 104 Ca 0.12 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 1ujp h LEU 104 Cb 0.64 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 1ujp h LEU 104 CO 0.04 0.92 0.17 0.00 0.09 0.00 0.00 178.44 179.66 1ujp h ALA 105 N 1.13 0.57 0.00 1.53 0.00 -1.15 -2.96 119.26 118.39 1ujp h ALA 105 Ca 0.08 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1ujp h ALA 105 Cb 0.75 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1ujp h ALA 105 CO 0.06 0.19 -0.36 -1.49 0.00 0.00 0.00 179.25 177.65 1ujp h TRP 106 N 0.57 0.00 0.00 0.00 4.06 -1.39 -3.50 115.95 115.69 1ujp h TRP 106 Ca 0.15 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.10 1ujp h TRP 106 Cb 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.37 1ujp h TRP 106 CO 0.00 0.26 0.00 0.41 -3.56 0.00 0.00 178.44 175.55 1ujp n GLY 107 N 1.18 1.35 0.27 1.49 0.00 -0.15 -4.52 105.19 104.81 1ujp n GLY 107 Ca 0.02 -1.20 -0.02 0.00 0.00 0.00 0.00 46.02 44.82 1ujp n GLY 107 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ujp h PRO 108 N 0.00 -0.05 -0.69 1.61 0.11 -1.77 0.83 132.00 132.03 1ujp h PRO 108 Ca 0.00 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.13 1ujp h PRO 108 Cb 0.00 0.01 -0.04 0.00 0.11 0.00 0.00 31.00 31.08 1ujp h PRO 108 CO 0.00 -0.04 0.45 1.49 -0.21 0.00 0.00 178.00 179.69 1ujp h GLU 109 N -0.06 0.87 -0.11 1.05 4.81 -1.91 0.10 114.58 119.33 1ujp h GLU 109 Ca 0.28 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.42 1ujp h GLU 109 Cb 0.49 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.67 1ujp h GLU 109 CO -0.65 0.57 -0.07 -0.09 -0.73 0.00 0.00 179.01 178.05 1ujp h ARG 110 N 0.89 0.24 0.27 1.92 2.43 -1.65 -1.09 114.38 117.39 1ujp h ARG 110 Ca 0.27 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 1ujp h ARG 110 Cb -0.04 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.49 1ujp h ARG 110 CO -0.08 0.60 -0.26 0.35 -1.51 0.00 0.00 179.97 179.07 1ujp h PHE 111 N -0.13 -0.69 -0.68 2.20 3.57 -0.63 0.59 116.94 121.17 1ujp h PHE 111 Ca 0.02 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.48 1ujp h PHE 111 Cb 0.54 0.27 -0.03 0.00 2.79 0.00 0.00 35.95 39.52 1ujp h PHE 111 CO 0.07 -0.38 0.23 0.74 -2.23 0.00 0.00 178.31 176.74 1ujp h PHE 112 N -0.56 1.06 -0.38 0.41 0.04 -1.05 -2.16 116.94 114.30 1ujp h PHE 112 Ca -0.01 -0.09 -0.00 0.00 2.80 0.00 0.00 57.97 60.67 1ujp h PHE 112 Cb 0.51 -0.31 -0.02 0.00 2.20 0.00 0.00 35.95 38.33 1ujp h PHE 112 CO -0.17 0.83 0.22 0.78 -0.60 0.00 0.00 178.31 179.38 1ujp h GLY 113 N 1.07 0.55 0.97 -1.45 0.00 -0.86 -0.80 103.07 102.55 1ujp h GLY 113 Ca 0.22 -0.23 -0.03 0.00 0.00 0.00 0.00 47.33 47.29 1ujp h GLY 113 CO -0.01 0.23 0.19 1.41 0.00 0.00 0.00 176.54 178.35 1ujp h LEU 114 N 0.49 0.69 -0.72 3.11 3.38 -0.66 -0.90 115.31 120.70 1ujp h LEU 114 Ca 0.14 -0.18 -0.14 0.00 0.09 0.00 0.00 57.88 57.79 1ujp h LEU 114 Cb 0.01 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1ujp h LEU 114 CO -0.02 0.67 -0.52 -0.26 0.09 0.00 0.00 178.44 178.40 1ujp h PHE 115 N 0.65 0.38 -0.36 1.13 -1.00 -1.24 -0.77 116.94 115.73 1ujp h PHE 115 Ca 0.16 -0.13 -0.06 0.00 2.81 0.00 0.00 57.97 60.76 1ujp h PHE 115 Cb 0.21 -0.07 -0.01 0.00 3.61 0.00 0.00 35.95 39.68 1ujp h PHE 115 CO 0.01 0.77 0.01 -0.22 -1.61 0.00 0.00 178.31 177.26 1ujp h LYS 116 N 0.24 0.63 -0.85 1.51 1.63 -0.99 -1.69 116.57 117.04 1ujp h LYS 116 Ca 0.01 -0.20 0.05 0.00 -0.85 0.00 0.00 60.65 59.66 1ujp h LYS 116 Cb 1.00 -0.06 -0.05 0.00 -0.60 0.00 0.00 32.23 32.52 1ujp h LYS 116 CO 0.08 0.74 0.56 1.96 -3.45 0.00 0.00 179.45 179.34 1ujp h GLN 117 N 0.44 0.97 0.00 1.90 4.20 -0.98 -1.99 115.11 119.66 1ujp h GLN 117 Ca 0.10 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.75 1ujp h GLN 117 Cb 0.45 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.01 1ujp h GLN 117 CO 0.02 0.64 0.00 0.00 -0.67 0.00 0.00 178.83 178.82 1ujp h ALA 118 N 1.52 1.00 0.00 3.87 0.00 -0.82 -3.46 119.26 121.37 1ujp h ALA 118 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1ujp h ALA 118 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1ujp h ALA 118 CO -0.12 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.54 1ujp n GLY 119 N 0.18 1.14 3.76 0.00 0.00 -0.75 -3.72 105.19 105.80 1ujp n GLY 119 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1ujp n GLY 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ujp s ALA 120 N -2.00 3.46 0.05 4.61 0.00 -0.66 -4.79 121.76 122.43 1ujp s ALA 120 Ca 0.00 1.09 0.01 0.00 0.00 0.00 0.00 51.96 53.06 1ujp s ALA 120 Cb 0.00 -3.41 -0.25 0.00 0.00 0.00 0.00 23.12 19.46 1ujp s ALA 120 CO 0.00 -0.42 1.04 1.15 0.00 0.00 0.00 175.76 177.53 1ujp h THR 121 N 3.08 1.38 -1.93 0.00 2.02 -0.81 -3.42 112.91 113.23 1ujp h THR 121 Ca -0.48 -3.04 0.10 0.00 0.77 0.00 0.00 66.41 63.76 1ujp h THR 121 Cb 1.22 2.80 -0.02 0.00 -1.74 0.00 0.00 68.15 70.41 1ujp h THR 121 CO 0.66 0.85 0.32 0.61 0.37 0.00 0.00 175.52 178.33 1ujp n GLY 122 N 1.53 0.84 3.20 2.16 0.00 -1.07 -1.75 105.19 110.09 1ujp n GLY 122 Ca -0.10 -1.01 -0.18 0.00 0.00 0.00 0.00 46.02 44.74 1ujp n GLY 122 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ujp s VAL 123 N -2.27 1.20 -0.19 1.61 -7.23 0.11 -1.28 120.40 112.35 1ujp s VAL 123 Ca 0.12 -1.47 -0.01 0.00 -1.81 0.00 0.00 61.98 58.81 1ujp s VAL 123 Cb -0.01 -1.26 0.00 0.00 0.56 0.00 0.00 36.38 35.67 1ujp s VAL 123 CO 0.02 -0.30 -0.12 -0.63 -0.31 0.00 0.00 175.10 173.76 1ujp s ILE 124 N -1.61 2.77 -0.72 -0.62 1.01 0.23 -0.62 121.20 121.64 1ujp s ILE 124 Ca 0.02 -0.71 0.02 0.00 0.00 0.00 0.00 60.65 59.99 1ujp s ILE 124 Cb -0.08 -2.21 0.18 0.00 0.01 0.00 0.00 42.46 40.35 1ujp s ILE 124 CO 0.02 0.48 0.54 -0.76 0.00 0.00 0.00 174.94 175.23 1ujp s LEU 125 N 1.26 5.01 0.46 2.97 1.43 -0.77 -1.80 118.68 127.25 1ujp s LEU 125 Ca 0.03 -3.58 0.13 0.00 -1.03 0.00 0.00 54.13 49.68 1ujp s LEU 125 Cb -0.14 -1.74 1.08 0.00 0.03 0.00 0.00 46.19 45.42 1ujp s LEU 125 CO -0.06 -0.17 2.07 1.55 0.23 0.00 0.00 176.35 179.97 1ujp h PRO 126 N 5.93 0.28 -0.67 1.29 0.13 -1.84 -3.03 132.00 134.08 1ujp h PRO 126 Ca 0.10 -0.02 -0.31 0.00 -0.87 0.00 0.00 66.00 64.90 1ujp h PRO 126 Cb 0.81 -0.06 -0.19 0.00 0.13 0.00 0.00 31.00 31.69 1ujp h PRO 126 CO 0.75 0.18 0.28 -0.40 -0.23 0.00 0.00 178.00 178.58 1ujp n ASP 127 N -4.49 3.42 -3.87 1.44 5.75 -1.26 -4.82 116.55 112.72 1ujp n ASP 127 Ca 0.03 -3.59 -0.30 0.00 -0.01 0.00 0.00 54.79 50.93 1ujp n ASP 127 Cb 0.18 -0.73 -0.16 0.00 -1.03 0.00 0.00 41.12 39.39 1ujp n ASP 127 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1ujp s LEU 128 N -3.21 2.41 -0.31 -2.12 2.96 -1.15 -4.85 118.68 112.41 1ujp s LEU 128 Ca 0.51 -1.25 -0.29 0.00 -0.22 0.00 0.00 54.13 52.88 1ujp s LEU 128 Cb 0.44 -1.05 -0.01 0.00 0.50 0.00 0.00 46.19 46.08 1ujp s LEU 128 CO 0.07 -0.29 1.44 -2.84 -1.32 0.00 0.00 176.35 173.41 1ujp s PRO 129 N 1.48 3.76 0.39 0.98 0.02 -1.26 -4.83 135.00 135.55 1ujp s PRO 129 Ca -0.01 1.29 0.15 0.00 0.02 0.00 0.00 61.00 62.45 1ujp s PRO 129 Cb -0.18 -3.98 1.01 0.00 0.02 0.00 0.00 34.50 31.37 1ujp s PRO 129 CO -0.10 -1.32 1.84 -1.00 -0.33 0.00 0.00 177.00 176.09 1ujp h PRO 130 N 10.25 0.47 0.00 5.54 0.13 -1.94 -0.09 132.00 146.37 1ujp h PRO 130 Ca -0.29 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1ujp h PRO 130 Cb 1.12 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.14 1ujp h PRO 130 CO 1.04 0.31 0.00 0.38 -0.23 0.00 0.00 178.00 179.50 1ujp h ASP 131 N 0.48 0.00 1.50 1.44 2.03 -1.90 -2.37 116.42 117.62 1ujp h ASP 131 Ca 0.49 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.79 1ujp h ASP 131 Cb 1.12 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.62 1ujp h ASP 131 CO -0.22 0.00 -0.28 -0.33 -1.03 0.00 0.00 179.24 177.38 1ujp h GLU 132 N 0.00 0.00 -0.85 4.15 5.08 -1.39 -3.39 114.58 118.17 1ujp h GLU 132 Ca 0.00 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 58.00 1ujp h GLU 132 Cb 0.24 0.00 -0.25 0.00 0.50 0.00 0.00 28.75 29.24 1ujp h GLU 132 CO 0.00 0.00 -0.75 -3.47 -1.00 0.00 0.00 179.01 173.79 1ujp n ASP 133 N -2.65 -1.60 0.26 1.42 -0.08 -0.91 -4.98 116.55 108.01 1ujp n ASP 133 Ca 0.04 -3.05 0.09 0.00 -1.51 0.00 0.00 54.79 50.36 1ujp n ASP 133 Cb 0.49 0.78 0.67 0.00 2.34 0.00 0.00 41.12 45.41 1ujp n ASP 133 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1ujp h PRO 134 N 4.00 0.00 -0.70 -0.67 0.11 -1.72 -2.08 132.00 130.94 1ujp h PRO 134 Ca -0.06 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.03 1ujp h PRO 134 Cb 0.97 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.04 1ujp h PRO 134 CO 0.39 0.03 0.33 0.78 -0.21 0.00 0.00 178.00 179.32 1ujp h GLY 135 N 0.12 1.09 1.07 -0.55 0.00 -1.93 0.11 103.07 102.99 1ujp h GLY 135 Ca -0.00 -0.55 -0.11 0.00 0.00 0.00 0.00 47.33 46.67 1ujp h GLY 135 CO 0.00 0.52 -0.09 -2.00 0.00 0.00 0.00 176.54 174.98 1ujp h LEU 136 N 0.98 1.00 -0.04 3.11 7.12 -1.78 -1.49 115.31 124.22 1ujp h LEU 136 Ca 0.24 -0.34 -0.00 0.00 0.13 0.00 0.00 57.88 57.90 1ujp h LEU 136 Cb 0.14 -0.27 -0.00 0.00 -0.53 0.00 0.00 40.66 39.99 1ujp h LEU 136 CO -0.03 1.11 0.02 0.58 -0.13 0.00 0.00 178.44 179.99 1ujp h VAL 137 N 0.87 1.08 -0.31 1.05 2.07 -1.08 -2.51 116.25 117.42 1ujp h VAL 137 Ca 0.14 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 1ujp h VAL 137 Cb 0.65 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 1ujp h VAL 137 CO 0.04 0.06 0.15 0.03 0.02 0.00 0.00 177.57 177.88 1ujp h ARG 138 N -0.03 0.42 -0.01 1.57 3.08 -0.67 -1.64 114.38 117.09 1ujp h ARG 138 Ca 0.01 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 1ujp h ARG 138 Cb 0.09 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 1ujp h ARG 138 CO -0.00 0.33 0.01 1.25 -1.07 0.00 0.00 179.97 180.48 1ujp h LEU 139 N 0.43 0.01 -0.62 3.04 5.85 -0.86 0.16 115.31 123.31 1ujp h LEU 139 Ca 0.11 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 1ujp h LEU 139 Cb 0.04 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 1ujp h LEU 139 CO -0.02 0.04 0.28 0.00 -0.34 0.00 0.00 178.44 178.40 1ujp h ALA 140 N 0.97 0.81 -0.57 1.25 0.00 -1.03 -2.10 119.26 118.59 1ujp h ALA 140 Ca 0.00 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 1ujp h ALA 140 Cb 0.03 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1ujp h ALA 140 CO -0.00 0.39 -0.06 1.96 0.00 0.00 0.00 179.25 181.54 1ujp h GLN 141 N 0.86 1.04 -0.17 0.00 4.20 -1.09 -1.63 115.11 118.32 1ujp h GLN 141 Ca 0.21 -0.36 -0.06 0.00 0.06 0.00 0.00 58.65 58.50 1ujp h GLN 141 Cb 0.16 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 1ujp h GLN 141 CO -0.02 1.05 -0.16 0.93 -0.67 0.00 0.00 178.83 179.96 1ujp h GLU 142 N 0.93 0.29 0.00 1.46 5.08 -0.52 -0.97 114.58 120.85 1ujp h GLU 142 Ca 0.15 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1ujp h GLU 142 Cb 0.62 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1ujp h GLU 142 CO 0.04 0.45 0.00 0.82 -1.00 0.00 0.00 179.01 179.32 1ujp h ILE 143 N 0.27 0.00 0.00 3.13 2.04 -1.08 -3.46 117.51 118.40 1ujp h ILE 143 Ca 0.05 -0.45 0.00 0.00 1.00 0.00 0.00 64.86 65.46 1ujp h ILE 143 Cb 0.45 1.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.92 1ujp h ILE 143 CO 0.03 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.79 1ujp n GLY 144 N 0.03 1.28 3.86 5.37 0.00 -0.37 -5.01 105.19 110.35 1ujp n GLY 144 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 1ujp n GLY 144 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ujp s LEU 145 N 0.00 4.38 0.42 0.99 1.43 -0.64 -4.89 118.68 120.38 1ujp s LEU 145 Ca 0.00 0.51 -0.22 0.00 -1.03 0.00 0.00 54.13 53.39 1ujp s LEU 145 Cb 0.00 -2.13 -0.10 0.00 0.03 0.00 0.00 46.19 43.99 1ujp s LEU 145 CO 0.00 0.38 0.99 -1.61 0.23 0.00 0.00 176.35 176.34 1ujp s GLU 146 N -0.91 4.16 -0.23 1.70 2.02 -0.72 -3.75 118.70 120.98 1ujp s GLU 146 Ca 0.16 1.27 0.01 0.00 0.02 0.00 0.00 54.97 56.42 1ujp s GLU 146 Cb -0.12 -2.30 0.06 0.00 0.10 0.00 0.00 34.13 31.86 1ujp s GLU 146 CO 0.05 -0.10 -0.06 0.95 0.02 0.00 0.00 175.26 176.11 1ujp s THR 147 N -1.97 1.53 -0.15 3.63 -4.23 -1.19 -0.71 115.64 112.55 1ujp s THR 147 Ca 0.61 -1.17 -0.16 0.00 -1.18 0.00 0.00 61.69 59.79 1ujp s THR 147 Cb -0.14 -1.76 -0.04 0.00 1.34 0.00 0.00 72.50 71.89 1ujp s THR 147 CO 0.18 -0.05 0.39 -0.69 -0.54 0.00 0.00 174.62 173.92 1ujp s VAL 148 N 1.40 5.24 0.30 2.29 1.01 0.21 -1.36 120.40 129.50 1ujp s VAL 148 Ca -0.05 0.76 0.11 0.00 0.00 0.00 0.00 61.98 62.80 1ujp s VAL 148 Cb -0.18 -3.73 -0.05 0.00 0.00 0.00 0.00 36.38 32.41 1ujp s VAL 148 CO -0.06 0.34 -0.13 -0.36 0.00 0.00 0.00 175.10 174.89 1ujp s PHE 149 N 0.65 2.39 0.09 5.22 0.40 -1.26 -1.85 117.98 123.63 1ujp s PHE 149 Ca 0.21 -0.37 0.02 0.00 -0.60 0.00 0.00 56.93 56.19 1ujp s PHE 149 Cb -0.14 -1.16 -0.04 0.00 0.51 0.00 0.00 43.02 42.19 1ujp s PHE 149 CO 0.07 0.65 0.18 -0.51 0.70 0.00 0.00 175.22 176.31 1ujp s LEU 150 N -3.58 4.13 0.09 -0.37 1.02 -1.26 -2.10 118.68 116.62 1ujp s LEU 150 Ca 0.31 0.13 0.04 0.00 0.02 0.00 0.00 54.13 54.63 1ujp s LEU 150 Cb -0.03 -2.75 -0.03 0.00 0.02 0.00 0.00 46.19 43.40 1ujp s LEU 150 CO 0.16 0.14 -0.11 -0.76 0.02 0.00 0.00 176.35 175.80 1ujp s LEU 151 N -2.67 2.38 0.31 1.79 1.43 0.11 -4.96 118.68 117.06 1ujp s LEU 151 Ca 0.33 -0.77 0.05 0.00 -1.03 0.00 0.00 54.13 52.70 1ujp s LEU 151 Cb -0.12 -0.36 -0.06 0.00 0.03 0.00 0.00 46.19 45.68 1ujp s LEU 151 CO 0.26 -0.22 0.02 0.00 0.23 0.00 0.00 176.35 176.64 1ujp s ALA 152 N -2.17 2.36 0.62 4.21 0.00 -1.26 -1.39 121.76 124.13 1ujp s ALA 152 Ca 0.04 -2.01 0.34 0.00 0.00 0.00 0.00 51.96 50.33 1ujp s ALA 152 Cb -0.05 0.48 2.00 0.00 0.00 0.00 0.00 23.12 25.56 1ujp s ALA 152 CO 0.01 -0.23 2.27 -1.35 0.00 0.00 0.00 175.76 176.47 1ujp h PRO 153 N 2.17 0.00 0.00 0.00 0.11 -1.98 -1.11 132.00 131.18 1ujp h PRO 153 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1ujp h PRO 153 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1ujp h PRO 153 CO 0.69 0.00 -0.01 0.25 -0.21 0.00 0.00 178.00 178.72 1ujp n THR 154 N -3.59 0.38 -1.67 -1.15 -2.24 -1.26 -4.90 114.28 99.85 1ujp n THR 154 Ca -0.03 -0.18 -0.47 0.00 -2.27 0.00 0.00 64.05 61.10 1ujp n THR 154 Cb 0.10 -0.55 -0.04 0.00 -2.10 0.00 0.00 70.33 67.74 1ujp n THR 154 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1ujp n SER 155 N -1.99 3.24 -4.79 3.42 7.64 -0.42 -4.97 113.62 115.75 1ujp n SER 155 Ca 0.06 1.03 -0.29 0.00 1.01 0.00 0.00 58.87 60.68 1ujp n SER 155 Cb 0.40 -1.40 0.13 0.00 -1.01 0.00 0.00 64.21 62.32 1ujp n SER 155 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1ujp s THR 156 N 2.36 2.29 0.33 0.44 -4.23 -1.26 -4.81 115.64 110.76 1ujp s THR 156 Ca 0.85 0.10 0.02 0.00 -1.18 0.00 0.00 61.69 61.47 1ujp s THR 156 Cb -0.69 -2.83 0.21 0.00 1.34 0.00 0.00 72.50 70.54 1ujp s THR 156 CO 0.44 -0.13 1.93 0.44 -0.54 0.00 0.00 174.62 176.77 1ujp h ASP 157 N -1.41 0.70 -0.58 3.99 3.32 -1.98 -0.94 116.42 119.52 1ujp h ASP 157 Ca -0.50 -0.07 -0.10 0.00 0.02 0.00 0.00 57.03 56.39 1ujp h ASP 157 Cb 1.31 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.67 1ujp h ASP 157 CO 0.61 0.60 -0.03 0.00 -1.72 0.00 0.00 179.24 178.70 1ujp h ALA 158 N 1.51 0.79 -0.04 3.45 0.00 -1.99 -1.62 119.26 121.36 1ujp h ALA 158 Ca 0.19 -0.32 -0.15 0.00 0.00 0.00 0.00 54.91 54.63 1ujp h ALA 158 Cb 0.09 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1ujp h ALA 158 CO -0.03 0.65 -0.67 -0.09 0.00 0.00 0.00 179.25 179.12 1ujp h ARG 159 N 0.94 0.17 -0.11 0.00 9.65 -1.74 -0.93 114.38 122.36 1ujp h ARG 159 Ca 0.16 -0.13 0.01 0.00 -1.10 0.00 0.00 59.98 58.92 1ujp h ARG 159 Cb 0.59 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.18 1ujp h ARG 159 CO 0.04 0.77 0.05 0.82 2.80 0.00 0.00 179.97 184.45 1ujp h ILE 160 N 0.12 1.00 -0.73 1.20 2.04 -1.02 -0.91 117.51 119.21 1ujp h ILE 160 Ca -0.01 -0.04 0.05 0.00 1.00 0.00 0.00 64.86 65.86 1ujp h ILE 160 Cb 1.19 0.87 -0.05 0.00 -0.74 0.00 0.00 36.82 38.09 1ujp h ILE 160 CO 0.10 0.02 0.43 0.00 0.00 0.00 0.00 178.15 178.70 1ujp h ALA 161 N 1.06 0.97 -0.33 1.87 0.00 -1.06 -1.48 119.26 120.30 1ujp h ALA 161 Ca 0.04 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1ujp h ALA 161 Cb 0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1ujp h ALA 161 CO -0.03 0.16 0.10 1.15 0.00 0.00 0.00 179.25 180.63 1ujp h THR 162 N 0.81 1.21 -0.40 0.00 2.02 -0.82 -3.11 112.91 112.62 1ujp h THR 162 Ca 0.31 -0.66 -0.10 0.00 0.77 0.00 0.00 66.41 66.73 1ujp h THR 162 Cb 0.13 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 1ujp h THR 162 CO -0.16 0.23 -0.12 0.58 0.37 0.00 0.00 175.52 176.42 1ujp h VAL 163 N 0.38 1.28 0.00 3.16 2.07 -0.85 -3.01 116.25 119.28 1ujp h VAL 163 Ca 0.11 -1.23 0.00 0.00 0.82 0.00 0.00 66.70 66.40 1ujp h VAL 163 Cb 0.25 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1ujp h VAL 163 CO -0.00 0.41 0.00 1.33 0.02 0.00 0.00 177.57 179.33 1ujp n VAL 164 N -4.30 1.14 1.24 2.57 0.24 -0.58 -1.61 118.33 117.02 1ujp n VAL 164 Ca -0.01 0.29 0.13 0.00 -2.04 0.00 0.00 64.34 62.71 1ujp n VAL 164 Cb 0.38 -1.10 0.41 0.00 -1.47 0.00 0.00 33.84 32.06 1ujp n VAL 164 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 1ujp n ARG 165 N -1.57 0.72 -0.04 7.34 1.85 -1.14 -4.00 116.66 119.83 1ujp n ARG 165 Ca 0.03 -0.39 -0.02 0.00 -1.00 0.00 0.00 57.85 56.47 1ujp n ARG 165 Cb 0.15 -1.49 -0.08 0.00 -1.05 0.00 0.00 32.46 29.98 1ujp n ARG 165 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 1ujp n HIS 166 N -0.80 0.00 -2.37 2.89 8.25 -0.64 -5.02 115.22 117.54 1ujp n HIS 166 Ca 0.12 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.20 1ujp n HIS 166 Cb 0.33 -0.44 -0.03 0.00 1.12 0.00 0.00 29.99 30.98 1ujp n HIS 166 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ujp s ALA 167 N -2.40 3.19 0.06 -1.41 0.00 -0.88 -4.86 121.76 115.46 1ujp s ALA 167 Ca -0.05 0.91 0.01 0.00 0.00 0.00 0.00 51.96 52.83 1ujp s ALA 167 Cb 0.04 -3.35 -0.03 0.00 0.00 0.00 0.00 23.12 19.78 1ujp s ALA 167 CO 0.44 -0.41 -0.06 0.95 0.00 0.00 0.00 175.76 176.68 1ujp s THR 168 N -1.42 0.47 0.00 0.00 -4.23 -0.46 -4.88 115.64 105.13 1ujp s THR 168 Ca 0.55 -1.49 0.00 0.00 -1.18 0.00 0.00 61.69 59.57 1ujp s THR 168 Cb -0.29 -1.10 0.00 0.00 1.34 0.00 0.00 72.50 72.45 1ujp s THR 168 CO 0.37 -0.68 0.00 0.61 -0.54 0.00 0.00 174.62 174.38 1ujp n GLY 169 N 0.71 2.12 3.74 3.99 0.00 -1.26 -3.16 105.19 111.33 1ujp n GLY 169 Ca -0.18 -0.26 -0.05 0.00 0.00 0.00 0.00 46.02 45.53 1ujp n GLY 169 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ujp s PHE 170 N 0.00 -0.19 0.03 1.61 -0.12 -1.26 -4.38 117.98 113.67 1ujp s PHE 170 Ca 0.00 -0.14 0.06 0.00 -0.05 0.00 0.00 56.93 56.80 1ujp s PHE 170 Cb 0.00 0.65 -0.03 0.00 -0.63 0.00 0.00 43.02 43.00 1ujp s PHE 170 CO 0.00 -0.92 -0.14 0.54 -0.05 0.00 0.00 175.22 174.64 1ujp s VAL 171 N -3.48 3.06 -0.18 -2.49 0.11 -0.52 -4.31 120.40 112.59 1ujp s VAL 171 Ca 0.11 -1.04 -0.00 0.00 -2.93 0.00 0.00 61.98 58.11 1ujp s VAL 171 Cb -0.03 -2.30 0.01 0.00 -1.53 0.00 0.00 36.38 32.53 1ujp s VAL 171 CO 0.02 0.36 -0.16 -0.47 -3.33 0.00 0.00 175.10 171.52 1ujp s TYR 172 N -0.94 2.81 -0.26 1.54 6.04 -0.89 -0.97 117.35 124.69 1ujp s TYR 172 Ca 0.15 -1.40 -0.08 0.00 0.04 0.00 0.00 57.07 55.79 1ujp s TYR 172 Cb -0.11 -1.95 -0.03 0.00 -1.04 0.00 0.00 41.96 38.83 1ujp s TYR 172 CO 0.06 -0.70 0.09 0.00 -1.54 0.00 0.00 175.55 173.45 1ujp s ALA 173 N 1.25 3.19 0.02 3.97 0.00 0.10 -0.72 121.76 129.58 1ujp s ALA 173 Ca 0.03 -1.16 0.08 0.00 0.00 0.00 0.00 51.96 50.92 1ujp s ALA 173 Cb -0.14 -2.13 -0.02 0.00 0.00 0.00 0.00 23.12 20.83 1ujp s ALA 173 CO -0.09 -0.54 -0.24 0.54 0.00 0.00 0.00 175.76 175.43 1ujp s VAL 174 N 1.62 1.96 -0.44 0.00 0.11 -0.48 -1.31 120.40 121.86 1ujp s VAL 174 Ca 0.06 -1.22 0.03 0.00 -2.93 0.00 0.00 61.98 57.92 1ujp s VAL 174 Cb -0.15 -1.66 0.13 0.00 -1.53 0.00 0.00 36.38 33.16 1ujp s VAL 174 CO 0.04 0.40 0.21 -0.55 -3.33 0.00 0.00 175.10 171.87 1ujp s SER 175 N -0.97 4.02 -0.16 3.54 0.15 -0.49 -4.30 113.70 115.49 1ujp s SER 175 Ca 0.10 -2.58 -0.00 0.00 0.70 0.00 0.00 55.95 54.17 1ujp s SER 175 Cb -0.09 -1.26 0.13 0.00 -1.71 0.00 0.00 66.02 63.08 1ujp s SER 175 CO 0.01 -0.29 1.82 0.52 1.20 0.00 0.00 173.24 176.50 1ujp n VAL 176 N 3.64 2.21 -0.76 4.45 0.31 -1.26 -4.54 118.33 122.38 1ujp n VAL 176 Ca 0.06 -0.97 0.00 0.00 -0.01 0.00 0.00 64.34 63.42 1ujp n VAL 176 Cb 0.35 -1.28 0.00 0.00 -0.91 0.00 0.00 33.84 32.01 1ujp n VAL 176 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1ujp n GLU 189 N 0.68 0.00 0.00 5.55 -0.58 -1.26 -4.94 120.64 120.09 1ujp n GLU 189 Ca 0.16 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.90 1ujp n GLU 189 Cb 0.61 -0.25 0.00 0.00 -0.57 0.00 0.00 31.44 31.22 1ujp n GLU 189 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1ujp n VAL 190 N 0.99 0.00 -0.24 2.62 0.31 -1.26 -4.78 118.33 115.98 1ujp n VAL 190 Ca 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.37 1ujp n VAL 190 Cb 0.00 -0.58 0.16 0.00 -0.91 0.00 0.00 33.84 32.51 1ujp n VAL 190 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1ujp h LYS 191 N 0.00 0.36 -0.05 5.55 3.64 -1.97 -1.70 116.57 122.41 1ujp h LYS 191 Ca 0.00 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1ujp h LYS 191 Cb 0.96 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.70 1ujp h LYS 191 CO 0.00 0.24 0.03 0.22 -2.27 0.00 0.00 179.45 177.67 1ujp h ASP 192 N 0.37 0.06 -0.53 4.20 1.82 -2.00 -0.91 116.42 119.44 1ujp h ASP 192 Ca 0.38 -0.06 -0.02 0.00 -0.39 0.00 0.00 57.03 56.94 1ujp h ASP 192 Cb 0.57 -0.02 -0.02 0.00 0.68 0.00 0.00 39.33 40.54 1ujp h ASP 192 CO -0.41 0.11 0.25 0.25 -1.61 0.00 0.00 179.24 177.83 1ujp h LEU 193 N 0.01 0.70 -0.63 2.28 5.85 -1.76 -1.60 115.31 120.16 1ujp h LEU 193 Ca 0.02 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 1ujp h LEU 193 Cb 0.06 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 1ujp h LEU 193 CO -0.00 0.64 0.35 0.58 -0.34 0.00 0.00 178.44 179.67 1ujp h VAL 194 N 0.71 1.20 -0.47 1.05 2.07 -1.21 -1.74 116.25 117.86 1ujp h VAL 194 Ca 0.18 -0.48 0.02 0.00 0.82 0.00 0.00 66.70 67.24 1ujp h VAL 194 Cb 0.12 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 1ujp h VAL 194 CO -0.02 0.21 0.29 -0.09 0.02 0.00 0.00 177.57 177.98 1ujp h ARG 195 N 0.85 0.57 -0.10 1.57 2.43 -0.84 0.13 114.38 119.00 1ujp h ARG 195 Ca 0.22 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.26 1ujp h ARG 195 Cb 0.02 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 1ujp h ARG 195 CO -0.04 0.37 -0.37 0.00 -1.51 0.00 0.00 179.97 178.43 1ujp h ARG 196 N 0.58 0.20 -0.02 0.20 3.08 -0.98 -2.01 114.38 115.42 1ujp h ARG 196 Ca 0.18 -0.08 -0.10 0.00 0.07 0.00 0.00 59.98 60.05 1ujp h ARG 196 Cb -0.01 -0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.04 1ujp h ARG 196 CO -0.07 0.55 -0.38 0.82 -1.07 0.00 0.00 179.97 179.82 1ujp h ILE 197 N 0.17 1.47 0.00 2.04 2.04 -0.96 -3.23 117.51 119.04 1ujp h ILE 197 Ca 0.02 -1.91 -0.01 0.00 1.00 0.00 0.00 64.86 63.96 1ujp h ILE 197 Cb 0.74 2.57 -0.00 0.00 -0.74 0.00 0.00 36.82 39.39 1ujp h ILE 197 CO 0.06 0.54 -0.03 0.11 0.00 0.00 0.00 178.15 178.83 1ujp h LYS 198 N -0.27 0.00 0.00 2.37 1.57 -0.89 0.05 116.57 119.40 1ujp h LYS 198 Ca -0.04 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1ujp h LYS 198 Cb 1.09 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.40 1ujp h LYS 198 CO 0.08 0.03 -0.06 0.00 -0.57 0.00 0.00 179.45 178.93 1ujp h ALA 199 N 1.97 1.02 -0.02 3.86 0.00 -1.38 -3.11 119.26 121.60 1ujp h ALA 199 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1ujp h ALA 199 Cb 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1ujp h ALA 199 CO 0.00 0.08 -0.05 0.54 0.00 0.00 0.00 179.25 179.82 1ujp n ARG 200 N -3.19 1.06 -3.53 0.00 5.12 -0.04 -5.03 116.66 111.06 1ujp n ARG 200 Ca 0.00 -1.17 -0.15 0.00 -1.93 0.00 0.00 57.85 54.61 1ujp n ARG 200 Cb 0.34 -1.24 -0.05 0.00 -1.16 0.00 0.00 32.46 30.35 1ujp n ARG 200 CO 0.00 0.00 0.00 -0.08 -1.93 0.00 0.00 177.63 175.62 1ujp s THR 201 N -1.20 0.00 -1.86 0.55 -1.32 -0.93 -4.94 115.64 105.94 1ujp s THR 201 Ca 0.14 0.00 0.24 0.00 -1.21 0.00 0.00 61.69 60.87 1ujp s THR 201 Cb 0.11 -1.00 0.10 0.00 -1.51 0.00 0.00 72.50 70.19 1ujp s THR 201 CO 0.20 0.00 1.28 0.00 -2.21 0.00 0.00 174.62 173.89 1ujp n ALA 202 N 0.67 3.42 -1.76 11.08 0.00 -1.26 -4.45 120.51 128.22 1ujp n ALA 202 Ca -0.15 -0.54 -0.39 0.00 0.00 0.00 0.00 53.44 52.36 1ujp n ALA 202 Cb 0.58 -0.94 0.03 0.00 0.00 0.00 0.00 19.45 19.13 1ujp n ALA 202 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ujp s LEU 203 N -2.52 3.96 0.44 0.00 1.43 -1.26 -4.92 118.68 115.81 1ujp s LEU 203 Ca 0.20 2.84 -0.25 0.00 -1.03 0.00 0.00 54.13 55.89 1ujp s LEU 203 Cb 0.18 -4.13 -0.08 0.00 0.03 0.00 0.00 46.19 42.19 1ujp s LEU 203 CO 0.57 -1.41 1.39 -2.84 0.23 0.00 0.00 176.35 174.28 1ujp s PRO 204 N -2.71 3.76 -0.23 1.29 0.02 -1.26 -4.82 135.00 131.05 1ujp s PRO 204 Ca 0.67 2.33 -0.03 0.00 0.02 0.00 0.00 61.00 63.99 1ujp s PRO 204 Cb -0.42 -2.68 -0.00 0.00 0.02 0.00 0.00 34.50 31.42 1ujp s PRO 204 CO 0.52 -0.73 -0.05 0.08 -0.33 0.00 0.00 177.00 176.49 1ujp s VAL 205 N -1.23 3.26 0.05 3.83 1.01 -1.26 -1.44 120.40 124.62 1ujp s VAL 205 Ca 0.60 -0.60 0.02 0.00 0.00 0.00 0.00 61.98 62.00 1ujp s VAL 205 Cb -0.42 -2.51 -0.04 0.00 0.00 0.00 0.00 36.38 33.41 1ujp s VAL 205 CO 0.54 0.38 0.04 0.00 0.00 0.00 0.00 175.10 176.06 1ujp s ALA 206 N 1.45 3.43 0.09 5.51 0.00 -0.14 -1.07 121.76 131.04 1ujp s ALA 206 Ca 0.05 -0.99 0.07 0.00 0.00 0.00 0.00 51.96 51.08 1ujp s ALA 206 Cb -0.15 -1.38 -0.03 0.00 0.00 0.00 0.00 23.12 21.56 1ujp s ALA 206 CO -0.04 0.70 -0.17 0.14 0.00 0.00 0.00 175.76 176.40 1ujp s VAL 207 N -1.26 1.40 -0.24 0.00 -7.23 -0.42 -0.72 120.40 111.93 1ujp s VAL 207 Ca 0.25 -1.47 -0.01 0.00 -1.81 0.00 0.00 61.98 58.94 1ujp s VAL 207 Cb -0.12 -1.34 0.07 0.00 0.56 0.00 0.00 36.38 35.55 1ujp s VAL 207 CO 0.17 -0.19 0.02 -0.83 -0.31 0.00 0.00 175.10 173.96 1ujp s GLY 208 N -1.92 1.07 -0.09 2.32 0.00 -0.43 -1.10 107.32 107.16 1ujp s GLY 208 Ca 0.03 -1.26 0.17 0.00 0.00 0.00 0.00 44.72 43.67 1ujp s GLY 208 CO 0.03 1.26 1.18 0.69 0.00 0.00 0.00 173.10 176.26 1ujp n PHE 209 N 4.82 0.00 -2.34 1.90 3.72 -1.26 -1.39 117.46 122.91 1ujp n PHE 209 Ca -0.08 -0.91 -0.14 0.00 -0.05 0.00 0.00 57.45 56.28 1ujp n PHE 209 Cb 0.45 -0.18 -0.00 0.00 -0.94 0.00 0.00 39.48 38.80 1ujp n PHE 209 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ujp n GLY 210 N -0.33 -0.18 3.67 1.37 0.00 -1.26 -4.93 105.19 103.53 1ujp n GLY 210 Ca 0.12 -0.29 -0.46 0.00 0.00 0.00 0.00 46.02 45.39 1ujp n GLY 210 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ujp n VAL 211 N -4.02 0.01 -0.64 1.61 0.31 -1.26 -4.87 118.33 109.47 1ujp n VAL 211 Ca -0.15 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 1ujp n VAL 211 Cb 0.62 -1.60 0.00 0.00 -0.91 0.00 0.00 33.84 31.95 1ujp n VAL 211 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1ujp n SER 212 N 3.53 0.40 -1.28 4.52 3.41 -1.26 -4.51 113.62 118.43 1ujp n SER 212 Ca 0.17 -1.04 -0.00 0.00 -0.26 0.00 0.00 58.87 57.74 1ujp n SER 212 Cb 0.29 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 1ujp n SER 212 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ujp n GLY 213 N -0.02 0.95 0.06 5.00 0.00 -1.26 -4.94 105.19 104.99 1ujp n GLY 213 Ca 0.00 -0.91 -0.11 0.00 0.00 0.00 0.00 46.02 45.00 1ujp n GLY 213 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1ujp h LYS 214 N 0.00 0.07 -0.30 1.61 3.64 -1.88 -1.23 116.57 118.48 1ujp h LYS 214 Ca -0.03 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1ujp h LYS 214 Cb 0.13 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1ujp h LYS 214 CO 0.04 0.05 0.19 0.00 -2.27 0.00 0.00 179.45 177.46 1ujp h ALA 215 N 1.04 0.38 -0.19 5.00 0.00 -1.95 0.25 119.26 123.78 1ujp h ALA 215 Ca 0.03 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 1ujp h ALA 215 Cb 0.01 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1ujp h ALA 215 CO -0.02 -0.14 -0.39 1.79 0.00 0.00 0.00 179.25 180.48 1ujp h THR 216 N 0.40 1.30 -0.63 0.00 1.35 -1.96 -2.83 112.91 110.53 1ujp h THR 216 Ca 0.11 -1.53 -0.08 0.00 -0.55 0.00 0.00 66.41 64.36 1ujp h THR 216 Cb -0.02 1.58 -0.02 0.00 -1.73 0.00 0.00 68.15 67.96 1ujp h THR 216 CO -0.02 0.47 0.08 0.00 -0.25 0.00 0.00 175.52 175.80 1ujp h ALA 217 N 1.21 0.85 -0.45 6.62 0.00 -0.89 -2.69 119.26 123.91 1ujp h ALA 217 Ca 0.03 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.69 1ujp h ALA 217 Cb 0.85 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1ujp h ALA 217 CO 0.07 0.63 0.30 0.00 0.00 0.00 0.00 179.25 180.25 1ujp h ALA 218 N 1.03 1.74 0.00 0.00 0.00 -0.72 0.28 119.26 121.58 1ujp h ALA 218 Ca 0.19 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 1ujp h ALA 218 Cb 0.46 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1ujp h ALA 218 CO 0.02 0.22 -0.45 1.96 0.00 0.00 0.00 179.25 181.00 1ujp h GLN 219 N 0.56 0.00 -0.01 0.00 4.20 -1.28 -3.12 115.11 115.46 1ujp h GLN 219 Ca 0.18 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.89 1ujp h GLN 219 Cb 0.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.81 1ujp h GLN 219 CO -0.04 0.45 -0.59 0.00 -0.67 0.00 0.00 178.83 177.98 1ujp n ALA 220 N -2.37 3.82 0.30 3.87 0.00 -0.42 -4.50 120.51 121.22 1ujp n ALA 220 Ca -0.01 -0.55 0.14 0.00 0.00 0.00 0.00 53.44 53.02 1ujp n ALA 220 Cb 0.52 -0.89 0.76 0.00 0.00 0.00 0.00 19.45 19.84 1ujp n ALA 220 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ujp h ALA 221 N 3.48 1.28 0.00 0.00 0.00 -0.93 -1.06 119.26 122.03 1ujp h ALA 221 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1ujp h ALA 221 Cb 0.60 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1ujp h ALA 221 CO 0.00 -0.28 -0.17 -0.24 0.00 0.00 0.00 179.25 178.56 1ujp h VAL 222 N 0.00 0.57 -4.30 0.00 3.04 -1.82 -3.38 116.25 110.36 1ujp h VAL 222 Ca 0.00 -0.79 -0.51 0.00 -1.01 0.00 0.00 66.70 64.39 1ujp h VAL 222 Cb 0.59 1.52 0.11 0.00 -2.01 0.00 0.00 31.29 31.50 1ujp h VAL 222 CO 0.00 0.17 0.35 0.00 -1.01 0.00 0.00 177.57 177.07 1ujp s ALA 223 N -3.97 2.46 0.21 3.17 0.00 -0.40 -4.94 121.76 118.28 1ujp s ALA 223 Ca -0.01 0.25 0.17 0.00 0.00 0.00 0.00 51.96 52.36 1ujp s ALA 223 Cb 0.12 -3.24 0.62 0.00 0.00 0.00 0.00 23.12 20.61 1ujp s ALA 223 CO 0.61 -1.45 1.71 -0.44 0.00 0.00 0.00 175.76 176.19 1ujp h ASP 224 N -0.74 0.00 -5.04 0.00 3.32 -1.40 -3.41 116.42 109.16 1ujp h ASP 224 Ca -0.44 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.52 1ujp h ASP 224 Cb 1.22 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.60 1ujp h ASP 224 CO 0.54 0.43 -0.19 -0.83 -1.72 0.00 0.00 179.24 177.47 1ujp s GLY 225 N -4.38 -0.19 -0.08 2.75 0.00 -0.98 -0.78 107.32 103.66 1ujp s GLY 225 Ca -0.00 0.18 0.00 0.00 0.00 0.00 0.00 44.72 44.90 1ujp s GLY 225 CO 0.70 -0.06 -0.06 0.14 0.00 0.00 0.00 173.10 173.83 1ujp s VAL 226 N -2.38 0.81 0.16 1.40 1.01 0.36 -1.30 120.40 120.46 1ujp s VAL 226 Ca -0.06 -0.20 -0.23 0.00 0.00 0.00 0.00 61.98 61.49 1ujp s VAL 226 Cb -0.01 -0.84 -0.08 0.00 0.00 0.00 0.00 36.38 35.45 1ujp s VAL 226 CO -0.02 0.32 0.72 -0.69 0.00 0.00 0.00 175.10 175.43 1ujp s VAL 227 N 1.42 4.48 -0.29 2.92 1.01 -0.26 -0.92 120.40 128.76 1ujp s VAL 227 Ca -0.02 1.53 0.02 0.00 0.00 0.00 0.00 61.98 63.51 1ujp s VAL 227 Cb -0.13 -4.04 0.08 0.00 0.00 0.00 0.00 36.38 32.29 1ujp s VAL 227 CO -0.04 0.48 0.01 -0.69 0.00 0.00 0.00 175.10 174.86 1ujp s VAL 228 N -1.21 1.76 0.08 2.92 1.01 -0.43 -4.63 120.40 119.90 1ujp s VAL 228 Ca 0.35 -1.72 0.00 0.00 0.00 0.00 0.00 61.98 60.61 1ujp s VAL 228 Cb -0.21 -2.16 0.00 0.00 0.00 0.00 0.00 36.38 34.01 1ujp s VAL 228 CO 0.24 -0.39 0.00 0.61 0.00 0.00 0.00 175.10 175.56 1ujp n GLY 229 N 4.52 -0.02 0.37 4.51 0.00 -1.26 -1.02 105.19 112.28 1ujp n GLY 229 Ca -0.04 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.01 1ujp n GLY 229 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ujp h SER 230 N 0.00 1.00 -0.18 1.61 4.64 -1.91 -1.37 113.55 117.34 1ujp h SER 230 Ca 0.00 0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.30 1ujp h SER 230 Cb 0.00 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 61.87 1ujp h SER 230 CO 0.00 0.64 0.04 0.00 -0.87 0.00 0.00 176.83 176.64 1ujp h ALA 231 N 1.47 1.59 -0.01 5.18 0.00 -1.89 -2.06 119.26 123.55 1ujp h ALA 231 Ca 0.42 -0.13 -0.18 0.00 0.00 0.00 0.00 54.91 55.02 1ujp h ALA 231 Cb 0.17 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1ujp h ALA 231 CO -0.16 0.31 -0.82 -0.07 0.00 0.00 0.00 179.25 178.51 1ujp h LEU 232 N 0.38 0.22 -0.30 0.00 3.38 -1.55 -2.05 115.31 115.40 1ujp h LEU 232 Ca 0.09 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1ujp h LEU 232 Cb 0.18 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1ujp h LEU 232 CO -0.00 0.95 0.14 0.58 0.09 0.00 0.00 178.44 180.20 1ujp h VAL 233 N 0.10 1.16 -0.30 1.22 2.07 -0.73 -0.57 116.25 119.20 1ujp h VAL 233 Ca -0.03 -0.46 -0.00 0.00 0.82 0.00 0.00 66.70 67.03 1ujp h VAL 233 Cb 1.42 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 32.09 1ujp h VAL 233 CO 0.12 0.16 0.18 0.03 0.02 0.00 0.00 177.57 178.08 1ujp h ARG 234 N 0.35 0.41 -0.78 1.57 3.08 -1.35 0.12 114.38 117.79 1ujp h ARG 234 Ca 0.10 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.13 1ujp h ARG 234 Cb 0.13 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.05 1ujp h ARG 234 CO -0.01 0.33 0.50 0.00 -1.07 0.00 0.00 179.97 179.72 1ujp h ALA 235 N 1.06 1.00 -0.40 0.04 0.00 -1.19 -0.20 119.26 119.57 1ujp h ALA 235 Ca 0.11 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1ujp h ALA 235 Cb 0.03 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1ujp h ALA 235 CO -0.02 0.35 -0.02 -0.07 0.00 0.00 0.00 179.25 179.49 1ujp h LEU 236 N 1.01 0.71 -0.89 0.00 3.38 -0.79 0.22 115.31 118.94 1ujp h LEU 236 Ca 0.30 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.96 1ujp h LEU 236 Cb -0.06 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.45 1ujp h LEU 236 CO -0.09 0.86 0.59 -0.33 0.09 0.00 0.00 178.44 179.56 1ujp h GLU 237 N 0.54 1.15 -0.00 1.13 5.08 -0.30 -1.80 114.58 120.37 1ujp h GLU 237 Ca 0.11 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1ujp h GLU 237 Cb 0.51 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1ujp h GLU 237 CO 0.02 0.76 -0.04 0.39 -1.00 0.00 0.00 179.01 179.14 1ujp n GLU 238 N -4.48 0.92 -2.55 2.33 1.02 -0.13 -4.93 120.64 112.83 1ujp n GLU 238 Ca 0.10 -0.25 -0.14 0.00 -0.02 0.00 0.00 57.16 56.86 1ujp n GLU 238 Cb 0.04 -1.49 0.01 0.00 -0.02 0.00 0.00 31.44 29.97 1ujp n GLU 238 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ujp n GLY 239 N 1.17 -0.11 3.93 0.62 0.00 -0.61 -5.02 105.19 105.16 1ujp n GLY 239 Ca 0.18 -0.26 -0.27 0.00 0.00 0.00 0.00 46.02 45.67 1ujp n GLY 239 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ujp s ARG 240 N -5.03 3.52 0.34 1.61 0.52 -0.03 -5.03 118.95 114.86 1ujp s ARG 240 Ca 0.12 -0.33 -0.29 0.00 -0.52 0.00 0.00 55.73 54.71 1ujp s ARG 240 Cb -0.05 -2.82 -0.11 0.00 0.52 0.00 0.00 34.95 32.49 1ujp s ARG 240 CO 0.14 0.38 1.40 -1.12 0.02 0.00 0.00 175.30 176.13 1ujp s SER 241 N -3.22 6.57 0.04 0.23 0.01 -1.26 -4.64 113.70 111.43 1ujp s SER 241 Ca 0.39 2.85 0.07 0.00 1.31 0.00 0.00 55.95 60.56 1ujp s SER 241 Cb -0.11 -2.65 -0.23 0.00 0.21 0.00 0.00 66.02 63.24 1ujp s SER 241 CO 0.29 -0.70 0.99 -0.07 0.41 0.00 0.00 173.24 174.16 1ujp h LEU 242 N 3.43 0.07 -0.37 2.44 3.38 -1.94 -3.39 115.31 118.93 1ujp h LEU 242 Ca -0.49 -0.10 0.06 0.00 0.09 0.00 0.00 57.88 57.43 1ujp h LEU 242 Cb 1.23 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.91 1ujp h LEU 242 CO 0.67 1.08 0.08 0.00 0.09 0.00 0.00 178.44 180.36 1ujp h ALA 243 N 0.91 0.41 -0.83 1.53 0.00 -1.92 -1.55 119.26 117.80 1ujp h ALA 243 Ca -0.15 0.07 0.07 0.00 0.00 0.00 0.00 54.91 54.91 1ujp h ALA 243 Cb 1.90 0.09 -0.07 0.00 0.00 0.00 0.00 17.79 19.71 1ujp h ALA 243 CO 0.12 -0.32 0.50 -1.35 0.00 0.00 0.00 179.25 178.20 1ujp h PRO 244 N 0.21 0.86 -0.06 0.00 0.11 -2.00 0.11 132.00 131.23 1ujp h PRO 244 Ca 0.18 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.23 1ujp h PRO 244 Cb 0.20 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 31.12 1ujp h PRO 244 CO -0.23 0.57 0.02 1.25 -0.21 0.00 0.00 178.00 179.40 1ujp h LEU 245 N 0.88 0.09 -1.34 2.35 5.85 -1.67 -2.30 115.31 119.17 1ujp h LEU 245 Ca 0.38 -0.22 -0.07 0.00 0.84 0.00 0.00 57.88 58.81 1ujp h LEU 245 Cb 0.25 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 1ujp h LEU 245 CO -0.20 0.29 -0.31 -0.07 -0.34 0.00 0.00 178.44 177.80 1ujp h LEU 246 N -0.12 0.03 -0.45 2.25 3.38 -0.95 -2.16 115.31 117.30 1ujp h LEU 246 Ca 0.02 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 1ujp h LEU 246 Cb 0.23 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1ujp h LEU 246 CO -0.00 0.34 -0.06 -0.61 0.09 0.00 0.00 178.44 178.20 1ujp h GLN 247 N 0.02 0.84 -0.65 1.13 5.75 -0.64 0.28 115.11 121.84 1ujp h GLN 247 Ca 0.00 -0.30 -0.04 0.00 -0.15 0.00 0.00 58.65 58.16 1ujp h GLN 247 Cb 0.57 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 29.03 1ujp h GLN 247 CO 0.04 0.93 0.26 0.93 -2.65 0.00 0.00 178.83 178.34 1ujp h GLU 248 N 0.68 0.98 -0.35 1.69 4.39 -1.10 -0.95 114.58 119.91 1ujp h GLU 248 Ca 0.12 -0.18 -0.04 0.00 0.34 0.00 0.00 59.36 59.60 1ujp h GLU 248 Cb 0.59 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.07 1ujp h GLU 248 CO 0.04 0.82 0.05 0.82 -1.16 0.00 0.00 179.01 179.58 1ujp h ILE 249 N 0.92 1.24 -0.76 3.13 2.04 -1.12 -2.47 117.51 120.48 1ujp h ILE 249 Ca 0.22 -0.85 0.07 0.00 1.00 0.00 0.00 64.86 65.30 1ujp h ILE 249 Cb 0.21 1.12 -0.06 0.00 -0.74 0.00 0.00 36.82 37.35 1ujp h ILE 249 CO -0.02 0.28 0.44 -0.09 0.00 0.00 0.00 178.15 178.76 1ujp h ARG 250 N 0.41 0.75 0.00 2.37 2.43 -0.15 -0.47 114.38 119.73 1ujp h ARG 250 Ca 0.11 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.19 1ujp h ARG 250 Cb 0.36 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 1ujp h ARG 250 CO 0.01 0.50 -0.18 1.96 -1.51 0.00 0.00 179.97 180.75 1ujp h GLN 251 N 0.78 0.00 0.00 0.20 4.20 -0.94 -2.13 115.11 117.21 1ujp h GLN 251 Ca 0.35 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.96 1ujp h GLN 251 Cb 0.25 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.01 1ujp h GLN 251 CO -0.21 0.18 -0.69 0.78 -0.67 0.00 0.00 178.83 178.22 1ujp h GLY 252 N 0.70 0.00 1.97 3.46 0.00 -0.69 -3.26 103.07 105.26 1ujp h GLY 252 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ujp h GLY 252 CO 0.02 0.00 -0.02 1.04 0.00 0.00 0.00 176.54 177.59 1ujp n LEU 253 N -3.10 0.11 -4.66 3.11 4.77 -0.35 -2.89 117.00 113.99 1ujp n LEU 253 Ca -0.01 0.49 -0.43 0.00 -0.03 0.00 0.00 56.01 56.04 1ujp n LEU 253 Cb 0.73 -0.47 -0.02 0.00 -2.33 0.00 0.00 43.42 41.32 1ujp n LEU 253 CO 0.40 -0.02 0.98 -1.58 -1.33 0.00 0.00 177.39 175.85 1ujp s GLN 254 N -3.01 4.27 0.44 3.23 2.00 -1.07 -1.66 119.66 123.85 1ujp s GLN 254 Ca 0.13 1.51 -0.24 0.00 -2.00 0.00 0.00 55.36 54.77 1ujp s GLN 254 Cb 0.18 -3.68 -0.08 0.00 0.80 0.00 0.00 33.01 30.24 1ujp s GLN 254 CO 0.54 -0.62 1.15 1.03 -0.50 0.00 0.00 175.29 176.89 1ujp s ARG 255 N 3.14 3.89 0.00 1.67 0.52 -0.52 -5.01 118.95 122.64 1ujp s ARG 255 Ca 0.50 1.75 0.00 0.00 -0.52 0.00 0.00 55.73 57.46 1ujp s ARG 255 Cb -0.19 -2.49 0.00 0.00 0.52 0.00 0.00 34.95 32.79 1ujp s ARG 255 CO 0.12 -0.44 0.00 1.28 0.02 0.00 0.00 175.30 176.28 1ujp n LEU 256 N -0.30 0.00 -4.57 2.53 4.77 -1.26 -4.98 117.00 113.19 1ujp n LEU 256 Ca 0.06 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.69 1ujp n LEU 256 Cb 0.48 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.46 1ujp n LEU 256 CO 0.48 0.00 -0.25 -2.16 -1.33 0.00 0.00 177.39 174.13 1ujp s PRO 269 N 0.00 3.87 0.39 3.23 0.04 -1.26 -5.17 135.00 136.11 1ujp s PRO 269 Ca 0.00 -0.38 -0.25 0.00 0.04 0.00 0.00 61.00 60.41 1ujp s PRO 269 Cb 0.00 -3.31 -0.09 0.00 0.04 0.00 0.00 34.50 31.14 1ujp s PRO 269 CO 0.00 0.07 1.06 -0.51 0.04 0.00 0.00 177.00 177.66 1ujp s LEU 270 N 0.94 4.18 0.00 -3.56 1.43 -1.26 -5.48 118.68 114.93 1ujp s LEU 270 Ca 0.04 2.08 0.29 0.00 -1.03 0.00 0.00 54.13 55.51 1ujp s LEU 270 Cb -0.14 -4.13 1.71 0.00 0.03 0.00 0.00 46.19 43.67 1ujp s LEU 270 CO 0.03 -0.48 2.05 -0.81 0.23 0.00 0.00 176.35 177.37