#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a45 n GLU 3 N 0.00 1.09 -0.32 0.54 1.02 -1.26 -4.89 120.64 116.82 3a45 n GLU 3 Ca 0.00 -2.48 0.01 0.00 -0.02 0.00 0.00 57.16 54.67 3a45 n GLU 3 Cb 0.00 0.55 0.06 0.00 -0.02 0.00 0.00 31.44 32.02 3a45 n GLU 3 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3a45 n GLY 4 N 0.73 -1.65 0.16 0.62 0.00 0.70 -1.13 105.19 104.62 3a45 n GLY 4 Ca -0.10 0.93 -0.05 0.00 0.00 0.00 0.00 46.02 46.79 3a45 n GLY 4 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3a45 h PRO 5 N 0.00 0.09 -0.48 1.61 0.11 -1.89 -1.14 132.00 130.30 3a45 h PRO 5 Ca 0.32 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.39 3a45 h PRO 5 Cb 0.53 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.60 3a45 h PRO 5 CO -0.84 0.06 0.15 0.93 -0.21 0.00 0.00 178.00 178.08 3a45 h GLU 6 N 0.09 0.76 -0.85 1.05 3.07 -1.46 -1.97 114.58 115.26 3a45 h GLU 6 Ca 0.18 -0.16 -0.02 0.00 -0.50 0.00 0.00 59.36 58.85 3a45 h GLU 6 Cb 0.25 -0.11 -0.04 0.00 -0.84 0.00 0.00 28.75 28.01 3a45 h GLU 6 CO -0.31 0.72 0.44 0.28 -1.40 0.00 0.00 179.01 178.74 3a45 h VAL 7 N 0.65 1.25 -0.37 3.13 2.07 -1.04 0.96 116.25 122.90 3a45 h VAL 7 Ca 0.16 -0.67 -0.15 0.00 0.82 0.00 0.00 66.70 66.86 3a45 h VAL 7 Cb 0.28 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 3a45 h VAL 7 CO -0.00 0.29 -0.35 0.00 0.02 0.00 0.00 177.57 177.53 3a45 h ALA 8 N 1.24 0.55 -0.51 1.67 0.00 -1.10 -2.21 119.26 118.89 3a45 h ALA 8 Ca 0.30 -0.44 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 3a45 h ALA 8 Cb 0.07 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3a45 h ALA 8 CO -0.04 0.62 -0.11 1.25 0.00 0.00 0.00 179.25 180.97 3a45 h LEU 9 N 0.71 0.98 -0.92 0.00 5.85 -1.06 -2.15 115.31 118.71 3a45 h LEU 9 Ca 0.06 -0.36 -0.01 0.00 0.84 0.00 0.00 57.88 58.42 3a45 h LEU 9 Cb 0.94 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.65 3a45 h LEU 9 CO 0.09 1.11 0.55 0.74 -0.34 0.00 0.00 178.44 180.58 3a45 h THR 10 N 0.83 1.26 -0.42 1.05 2.02 -0.77 -2.17 112.91 114.71 3a45 h THR 10 Ca 0.13 -0.57 -0.05 0.00 0.77 0.00 0.00 66.41 66.69 3a45 h THR 10 Cb 0.67 -0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 3a45 h THR 10 CO 0.05 0.27 0.08 0.00 0.37 0.00 0.00 175.52 176.29 3a45 h ALA 11 N 1.30 0.56 -0.66 6.16 0.00 -1.12 -1.01 119.26 124.49 3a45 h ALA 11 Ca 0.33 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 55.06 3a45 h ALA 11 Cb -0.04 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 3a45 h ALA 11 CO -0.06 0.27 0.40 -0.44 0.00 0.00 0.00 179.25 179.42 3a45 h ASP 12 N 0.56 0.65 -0.67 0.00 3.32 -1.05 0.26 116.42 119.48 3a45 h ASP 12 Ca 0.13 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.14 3a45 h ASP 12 Cb 0.36 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.75 3a45 h ASP 12 CO 0.01 0.44 0.25 0.40 -1.72 0.00 0.00 179.24 178.62 3a45 h ILE 13 N 0.78 1.24 -0.36 0.35 5.03 -1.25 -0.27 117.51 123.03 3a45 h ILE 13 Ca 0.27 -0.79 -0.06 0.00 -0.12 0.00 0.00 64.86 64.16 3a45 h ILE 13 Cb 0.05 0.51 -0.02 0.00 -3.03 0.00 0.00 36.82 34.33 3a45 h ILE 13 CO -0.12 0.31 -0.03 -0.07 -0.68 0.00 0.00 178.15 177.57 3a45 h LEU 14 N 0.95 0.55 -0.28 1.44 3.38 -0.14 -2.43 115.31 118.78 3a45 h LEU 14 Ca 0.22 -0.12 -0.13 0.00 0.09 0.00 0.00 57.88 57.94 3a45 h LEU 14 Cb 0.24 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 3a45 h LEU 14 CO -0.01 0.64 -0.32 -0.33 0.09 0.00 0.00 178.44 178.50 3a45 h GLU 15 N 0.55 0.72 -0.98 1.13 5.08 -0.02 0.13 114.58 121.19 3a45 h GLU 15 Ca 0.11 -0.40 0.14 0.00 -1.00 0.00 0.00 59.36 58.22 3a45 h GLU 15 Cb 0.39 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.57 3a45 h GLU 15 CO 0.02 1.01 0.60 -0.22 -1.00 0.00 0.00 179.01 179.42 3a45 h LYS 16 N 0.46 0.85 0.00 2.33 3.64 -0.68 -0.70 116.57 122.47 3a45 h LYS 16 Ca 0.04 -0.05 -0.19 0.00 -1.27 0.00 0.00 60.65 59.17 3a45 h LYS 16 Cb 0.90 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 32.50 3a45 h LYS 16 CO 0.08 0.56 -1.95 0.66 -2.27 0.00 0.00 179.45 176.53 3a45 n TYR 17 N -4.70 0.33 0.00 1.91 4.01 -0.95 -4.71 117.16 113.05 3a45 n TYR 17 Ca 0.20 0.11 0.00 0.00 -0.16 0.00 0.00 57.90 58.05 3a45 n TYR 17 Cb 0.42 -0.88 0.00 0.00 -0.31 0.00 0.00 39.34 38.57 3a45 n TYR 17 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3a45 n PHE 18 N -2.65 0.00 -1.82 -0.72 3.72 0.45 -4.92 117.46 111.52 3a45 n PHE 18 Ca -0.17 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.82 3a45 n PHE 18 Cb 0.88 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.39 3a45 n PHE 18 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 3a45 s LYS 19 N -1.17 4.16 0.00 -1.08 2.20 -0.28 -1.31 119.74 122.26 3a45 s LYS 19 Ca 0.00 2.51 0.00 0.00 -0.36 0.00 0.00 55.97 58.12 3a45 s LYS 19 Cb 0.00 -3.08 0.00 0.00 -1.51 0.00 0.00 37.83 33.24 3a45 s LYS 19 CO 0.00 -0.65 0.00 0.41 -0.36 0.00 0.00 175.35 174.75 3a45 n GLY 20 N 3.25 1.80 3.90 5.54 0.00 0.46 -4.98 105.19 115.15 3a45 n GLY 20 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 3a45 n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3a45 s LYS 21 N -0.27 3.66 -0.34 1.61 -0.14 -0.43 -4.72 119.74 119.12 3a45 s LYS 21 Ca 0.00 0.17 -0.19 0.00 -1.36 0.00 0.00 55.97 54.58 3a45 s LYS 21 Cb 0.00 -2.52 -0.00 0.00 -1.68 0.00 0.00 37.83 33.62 3a45 s LYS 21 CO 0.00 0.07 0.59 0.99 -0.76 0.00 0.00 175.35 176.24 3a45 s THR 22 N -2.28 4.95 -0.10 2.17 2.01 -1.26 -0.91 115.64 120.21 3a45 s THR 22 Ca 0.47 0.54 -0.27 0.00 0.31 0.00 0.00 61.69 62.73 3a45 s THR 22 Cb -0.10 -4.02 -0.02 0.00 0.01 0.00 0.00 72.50 68.37 3a45 s THR 22 CO 0.33 -0.24 0.90 -0.22 -0.69 0.00 0.00 174.62 174.69 3a45 s LEU 23 N 2.57 4.26 -0.13 4.42 2.96 0.11 -1.51 118.68 131.37 3a45 s LEU 23 Ca 0.22 1.39 0.14 0.00 -0.22 0.00 0.00 54.13 55.66 3a45 s LEU 23 Cb -0.15 -3.38 -0.20 0.00 0.50 0.00 0.00 46.19 42.96 3a45 s LEU 23 CO 0.14 -0.34 0.10 -0.62 -1.32 0.00 0.00 176.35 174.31 3a45 n GLU 24 N 4.65 1.37 -3.49 1.98 1.02 0.17 -2.18 120.64 124.16 3a45 n GLU 24 Ca 0.05 -0.03 -0.11 0.00 -0.02 0.00 0.00 57.16 57.06 3a45 n GLU 24 Cb 0.50 -1.38 -0.03 0.00 -0.02 0.00 0.00 31.44 30.50 3a45 n GLU 24 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 3a45 s TYR 25 N -2.49 -0.43 -0.05 -0.32 5.04 -0.86 -4.60 117.35 113.64 3a45 s TYR 25 Ca -0.07 0.38 0.00 0.00 -2.44 0.00 0.00 57.07 54.94 3a45 s TYR 25 Cb 0.05 0.52 0.02 0.00 0.35 0.00 0.00 41.96 42.91 3a45 s TYR 25 CO 0.62 -0.61 -0.03 0.42 -1.34 0.00 0.00 175.55 174.61 3a45 s ILE 26 N -2.88 0.46 -0.09 3.14 1.01 -1.26 -0.21 121.20 121.37 3a45 s ILE 26 Ca 0.02 -0.03 0.03 0.00 0.00 0.00 0.00 60.65 60.67 3a45 s ILE 26 Cb -0.01 -0.53 -0.01 0.00 0.01 0.00 0.00 42.46 41.92 3a45 s ILE 26 CO -0.07 0.23 -0.19 -1.81 0.00 0.00 0.00 174.94 173.09 3a45 s ASP 27 N 1.24 3.52 -0.70 3.58 1.01 0.22 -4.95 116.67 120.59 3a45 s ASP 27 Ca -0.06 -0.42 -0.08 0.00 0.71 0.00 0.00 52.55 52.70 3a45 s ASP 27 Cb -0.14 -1.21 0.18 0.00 1.01 0.00 0.00 42.92 42.77 3a45 s ASP 27 CO -0.02 0.22 0.58 -0.36 0.21 0.00 0.00 175.17 175.79 3a45 s PHE 28 N 0.02 3.56 -0.23 4.23 0.40 -1.26 -0.46 117.98 124.24 3a45 s PHE 28 Ca -0.07 -2.33 0.23 0.00 -0.60 0.00 0.00 56.93 54.16 3a45 s PHE 28 Cb -0.15 -3.50 0.49 0.00 0.51 0.00 0.00 43.02 40.38 3a45 s PHE 28 CO 0.05 -0.92 1.65 -0.84 0.70 0.00 0.00 175.22 175.86 3a45 h ILE 29 N 5.13 0.25 -3.14 0.64 3.07 -1.56 -3.37 117.51 118.53 3a45 h ILE 29 Ca 0.02 -1.21 -0.07 0.00 1.55 0.00 0.00 64.86 65.15 3a45 h ILE 29 Cb 1.00 2.00 -0.00 0.00 -0.27 0.00 0.00 36.82 39.55 3a45 h ILE 29 CO 0.75 0.13 0.22 -1.54 -1.05 0.00 0.00 178.15 176.66 3a45 n SER 30 N -3.16 -2.18 0.00 2.16 3.41 -1.24 -4.93 113.62 107.69 3a45 n SER 30 Ca 0.03 -2.64 0.00 0.00 -0.26 0.00 0.00 58.87 55.99 3a45 n SER 30 Cb 0.53 3.67 0.00 0.00 -0.26 0.00 0.00 64.21 68.15 3a45 n SER 30 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3a45 n GLY 31 N -0.54 -1.75 0.26 5.00 0.00 -1.26 -3.95 105.19 102.94 3a45 n GLY 31 Ca -0.08 -1.46 0.06 0.00 0.00 0.00 0.00 46.02 44.55 3a45 n GLY 31 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3a45 h ARG 32 N 0.00 0.08 -0.02 1.61 0.11 -1.96 -2.97 114.38 111.24 3a45 h ARG 32 Ca 0.00 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.07 3a45 h ARG 32 Cb 0.00 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.06 3a45 h ARG 32 CO 0.00 0.11 -0.07 0.66 0.10 0.00 0.00 179.97 180.77 3a45 n TYR 33 N -4.46 0.00 -0.20 4.08 4.01 -1.26 -4.31 117.16 115.02 3a45 n TYR 33 Ca -0.02 0.00 -0.00 0.00 -0.16 0.00 0.00 57.90 57.72 3a45 n TYR 33 Cb 0.13 -0.01 0.24 0.00 -0.31 0.00 0.00 39.34 39.39 3a45 n TYR 33 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3a45 h SER 34 N 3.71 0.85 0.00 7.72 4.64 -1.64 -2.98 113.55 125.85 3a45 h SER 34 Ca 0.00 -0.04 -0.27 0.00 -0.47 0.00 0.00 61.79 61.01 3a45 h SER 34 Cb 0.83 -0.21 -0.04 0.00 -0.31 0.00 0.00 62.40 62.66 3a45 h SER 34 CO 0.00 0.65 -1.47 0.29 -0.87 0.00 0.00 176.83 175.42 3a45 n LYS 35 N -4.40 0.57 -3.70 4.77 4.76 -1.26 -4.74 118.16 114.16 3a45 n LYS 35 Ca 0.07 0.52 -0.38 0.00 -2.87 0.00 0.00 58.31 55.66 3a45 n LYS 35 Cb 0.06 -1.71 -0.10 0.00 -1.84 0.00 0.00 35.03 31.44 3a45 n LYS 35 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 3a45 s SER 36 N -6.96 5.41 1.07 4.39 0.01 -1.23 -5.09 113.70 111.30 3a45 s SER 36 Ca -0.30 -2.03 -0.12 0.00 1.31 0.00 0.00 55.95 54.81 3a45 s SER 36 Cb 0.07 -1.89 0.23 0.00 0.21 0.00 0.00 66.02 64.65 3a45 s SER 36 CO 0.58 -0.59 1.07 -1.61 0.41 0.00 0.00 173.24 173.10 3a45 s GLU 37 N 1.16 -0.20 0.92 12.44 8.01 -1.13 -4.32 118.70 135.59 3a45 s GLU 37 Ca 0.08 1.06 -0.11 0.00 0.01 0.00 0.00 54.97 56.01 3a45 s GLU 37 Cb -0.24 -1.62 0.14 0.00 -4.31 0.00 0.00 34.13 28.10 3a45 s GLU 37 CO -0.03 -3.30 1.10 -2.14 0.01 0.00 0.00 175.26 170.89 3a45 s PRO 38 N -4.55 1.05 0.19 0.39 0.02 -1.26 -4.89 135.00 125.95 3a45 s PRO 38 Ca 0.68 1.10 -0.33 0.00 0.02 0.00 0.00 61.00 62.47 3a45 s PRO 38 Cb -0.24 -1.76 -0.14 0.00 0.02 0.00 0.00 34.50 32.38 3a45 s PRO 38 CO 0.62 -2.46 1.42 -1.91 -0.33 0.00 0.00 177.00 174.34 3a45 n GLU 39 N -4.07 1.86 -0.91 5.54 4.07 -1.26 -1.53 120.64 124.34 3a45 n GLU 39 Ca 0.08 0.66 0.00 0.00 -0.06 0.00 0.00 57.16 57.85 3a45 n GLU 39 Cb 0.54 -2.34 0.00 0.00 -0.06 0.00 0.00 31.44 29.58 3a45 n GLU 39 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3a45 n GLY 40 N 2.59 0.66 0.15 8.31 0.00 -1.26 -0.83 105.19 114.81 3a45 n GLY 40 Ca 0.15 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.11 3a45 n GLY 40 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3a45 h TYR 41 N 0.00 -0.11 -0.21 1.61 3.20 -1.57 -1.48 116.97 118.41 3a45 h TYR 41 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 3a45 h TYR 41 Cb 0.06 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.42 3a45 h TYR 41 CO 0.04 -0.12 0.13 -0.44 -1.64 0.00 0.00 178.16 176.14 3a45 h ASP 42 N 0.04 0.23 -0.28 -2.11 3.45 -1.91 -0.93 116.42 114.91 3a45 h ASP 42 Ca 0.17 -0.00 -0.09 0.00 0.43 0.00 0.00 57.03 57.54 3a45 h ASP 42 Cb 0.26 -0.05 -0.02 0.00 -0.56 0.00 0.00 39.33 38.96 3a45 h ASP 42 CO -0.33 0.17 -0.11 0.44 -1.57 0.00 0.00 179.24 177.83 3a45 h ASP 43 N 0.27 0.68 0.25 6.45 3.32 -1.94 -2.06 116.42 123.38 3a45 h ASP 43 Ca 0.08 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 3a45 h ASP 43 Cb -0.02 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.35 3a45 h ASP 43 CO -0.02 0.82 -0.12 0.15 -1.72 0.00 0.00 179.24 178.35 3a45 h PHE 44 N 0.63 -0.31 -0.86 4.55 3.04 -0.99 -1.62 116.94 121.38 3a45 h PHE 44 Ca 0.11 -0.01 0.11 0.00 3.98 0.00 0.00 57.97 62.16 3a45 h PHE 44 Cb 0.56 0.10 -0.08 0.00 2.56 0.00 0.00 35.95 39.09 3a45 h PHE 44 CO 0.03 -0.11 0.50 0.82 -2.02 0.00 0.00 178.31 177.52 3a45 h ILE 45 N -0.44 0.89 0.00 1.41 1.08 -1.10 0.65 117.51 120.01 3a45 h ILE 45 Ca -0.03 -0.28 -0.02 0.00 -0.39 0.00 0.00 64.86 64.13 3a45 h ILE 45 Cb 0.33 0.01 -0.00 0.00 -3.07 0.00 0.00 36.82 34.08 3a45 h ILE 45 CO 0.06 0.15 -0.11 0.00 -0.69 0.00 0.00 178.15 177.56 3a45 h ALA 46 N 1.48 1.57 0.00 1.87 0.00 -1.04 -1.94 119.26 121.21 3a45 h ALA 46 Ca 0.43 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.24 3a45 h ALA 46 Cb 0.42 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3a45 h ALA 46 CO -0.26 0.14 -0.53 0.09 0.00 0.00 0.00 179.25 178.68 3a45 n ASN 47 N -4.05 0.52 -4.79 0.00 4.13 0.13 -4.90 115.26 106.30 3a45 n ASN 47 Ca -0.02 -0.16 -0.33 0.00 1.68 0.00 0.00 54.58 55.74 3a45 n ASN 47 Cb 0.19 0.24 0.01 0.00 -1.54 0.00 0.00 39.78 38.68 3a45 n ASN 47 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3a45 s LEU 48 N -3.24 3.57 0.51 3.41 1.43 -0.67 -4.46 118.68 119.24 3a45 s LEU 48 Ca 0.10 1.91 -0.17 0.00 -1.03 0.00 0.00 54.13 54.94 3a45 s LEU 48 Cb 0.17 -4.55 -0.08 0.00 0.03 0.00 0.00 46.19 41.76 3a45 s LEU 48 CO 0.70 -1.19 0.99 -2.16 0.23 0.00 0.00 176.35 174.92 3a45 s PRO 49 N -3.83 3.93 0.05 1.29 0.04 -1.26 -5.02 135.00 130.20 3a45 s PRO 49 Ca 0.66 0.99 -0.03 0.00 0.04 0.00 0.00 61.00 62.67 3a45 s PRO 49 Cb -0.18 -2.13 -0.03 0.00 0.04 0.00 0.00 34.50 32.20 3a45 s PRO 49 CO 0.33 -0.29 0.02 -0.51 0.04 0.00 0.00 177.00 176.59 3a45 s LEU 50 N -4.02 2.23 -0.03 -3.56 1.43 -0.93 -4.88 118.68 108.93 3a45 s LEU 50 Ca 0.60 -0.84 -0.04 0.00 -1.03 0.00 0.00 54.13 52.82 3a45 s LEU 50 Cb -0.10 0.36 -0.04 0.00 0.03 0.00 0.00 46.19 46.43 3a45 s LEU 50 CO 0.30 -0.57 0.18 -0.54 0.23 0.00 0.00 176.35 175.95 3a45 s LYS 51 N -3.48 3.46 -0.18 1.70 1.02 -0.92 0.07 119.74 121.41 3a45 s LYS 51 Ca 0.03 -0.25 -0.27 0.00 0.02 0.00 0.00 55.97 55.50 3a45 s LYS 51 Cb 0.04 -3.12 -0.01 0.00 -0.52 0.00 0.00 37.83 34.23 3a45 s LYS 51 CO -0.08 0.70 0.92 0.08 -0.92 0.00 0.00 175.35 176.04 3a45 s VAL 52 N -1.25 4.80 -0.16 3.17 1.01 -0.09 -1.53 120.40 126.35 3a45 s VAL 52 Ca 0.24 1.81 -0.25 0.00 0.00 0.00 0.00 61.98 63.79 3a45 s VAL 52 Cb -0.13 -4.22 -0.22 0.00 0.00 0.00 0.00 36.38 31.82 3a45 s VAL 52 CO 0.15 -0.04 0.54 0.28 0.00 0.00 0.00 175.10 176.03 3a45 h SER 53 N 7.36 0.00 -5.15 3.32 0.02 -0.41 0.13 113.55 118.82 3a45 h SER 53 Ca -0.26 -0.78 -0.03 0.00 -0.84 0.00 0.00 61.79 59.88 3a45 h SER 53 Cb 1.11 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.56 3a45 h SER 53 CO 0.88 1.13 -0.03 0.20 -1.14 0.00 0.00 176.83 177.87 3a45 s ASN 54 N -6.38 -0.16 -0.29 3.07 -0.87 -1.15 -4.65 114.94 104.50 3a45 s ASN 54 Ca -0.21 -0.72 -0.01 0.00 -1.57 0.00 0.00 52.86 50.34 3a45 s ASN 54 Cb 0.00 0.59 0.09 0.00 -0.02 0.00 0.00 41.25 41.91 3a45 s ASN 54 CO 0.62 -1.12 0.08 -0.69 -2.57 0.00 0.00 177.10 173.43 3a45 s VAL 55 N -3.95 0.82 0.39 1.60 1.01 -1.26 -0.92 120.40 118.09 3a45 s VAL 55 Ca 0.16 -1.26 0.08 0.00 0.00 0.00 0.00 61.98 60.95 3a45 s VAL 55 Cb -0.01 -1.57 -0.06 0.00 0.00 0.00 0.00 36.38 34.74 3a45 s VAL 55 CO 0.04 -0.60 0.06 -0.62 0.00 0.00 0.00 175.10 173.98 3a45 s ASP 56 N 1.66 4.11 0.12 3.32 -1.08 -0.49 -4.67 116.67 119.64 3a45 s ASP 56 Ca 0.08 -1.18 -0.09 0.00 -0.52 0.00 0.00 52.55 50.84 3a45 s ASP 56 Cb -0.17 -0.45 -0.00 0.00 -1.46 0.00 0.00 42.92 40.83 3a45 s ASP 56 CO -0.23 -0.41 0.23 0.42 0.52 0.00 0.00 175.17 175.70 3a45 s THR 57 N -2.62 0.11 -0.24 1.71 -4.23 -1.26 -0.58 115.64 108.53 3a45 s THR 57 Ca 0.37 -1.27 -0.03 0.00 -1.18 0.00 0.00 61.69 59.58 3a45 s THR 57 Cb 0.05 -1.56 0.13 0.00 1.34 0.00 0.00 72.50 72.46 3a45 s THR 57 CO 0.20 -0.49 0.37 -0.75 -0.54 0.00 0.00 174.62 173.40 3a45 s LYS 58 N -3.91 0.34 7.48 3.99 2.20 -0.10 -5.00 119.74 124.74 3a45 s LYS 58 Ca 0.10 0.53 0.00 0.00 -0.36 0.00 0.00 55.97 56.24 3a45 s LYS 58 Cb 0.04 -0.50 0.00 0.00 -1.51 0.00 0.00 37.83 35.86 3a45 s LYS 58 CO -0.06 -0.63 0.00 0.41 -0.36 0.00 0.00 175.35 174.71 3a45 n GLY 59 N 5.36 2.75 1.05 5.54 0.00 -1.26 -1.62 105.19 117.01 3a45 n GLY 59 Ca -0.04 -0.25 0.11 0.00 0.00 0.00 0.00 46.02 45.85 3a45 n GLY 59 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3a45 n LYS 60 N 13.26 2.36 -3.40 1.61 5.02 -1.26 -4.43 118.16 131.32 3a45 n LYS 60 Ca 0.00 -2.07 -0.38 0.00 -2.02 0.00 0.00 58.31 53.84 3a45 n LYS 60 Cb 0.00 -1.49 -0.07 0.00 -0.02 0.00 0.00 35.03 33.45 3a45 n LYS 60 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 3a45 s PHE 61 N -1.49 3.39 -0.02 2.13 5.36 -0.64 -4.56 117.98 122.15 3a45 s PHE 61 Ca 0.38 0.62 0.08 0.00 -0.96 0.00 0.00 56.93 57.05 3a45 s PHE 61 Cb 0.22 -2.50 -0.02 0.00 -0.34 0.00 0.00 43.02 40.38 3a45 s PHE 61 CO 0.30 0.03 -0.25 -1.17 -1.46 0.00 0.00 175.22 172.67 3a45 s LEU 62 N 1.18 2.05 0.04 6.12 0.20 -0.69 -0.92 118.68 126.67 3a45 s LEU 62 Ca 0.19 -0.46 -0.03 0.00 0.69 0.00 0.00 54.13 54.52 3a45 s LEU 62 Cb -0.15 -1.31 -0.02 0.00 -0.43 0.00 0.00 46.19 44.28 3a45 s LEU 62 CO 0.08 0.30 0.02 -1.66 -0.29 0.00 0.00 176.35 174.80 3a45 s TRP 63 N -0.54 0.34 -0.10 5.38 -2.14 0.26 -0.55 118.94 121.57 3a45 s TRP 63 Ca 0.08 -0.73 -0.02 0.00 2.66 0.00 0.00 56.10 58.09 3a45 s TRP 63 Cb -0.10 -0.24 -0.03 0.00 -3.10 0.00 0.00 33.47 29.99 3a45 s TRP 63 CO -0.00 -0.34 -0.04 -0.06 -2.66 0.00 0.00 176.95 173.85 3a45 s PHE 64 N -2.94 3.03 -0.15 1.66 0.40 -0.52 -1.40 117.98 118.06 3a45 s PHE 64 Ca -0.02 -0.04 -0.02 0.00 -0.60 0.00 0.00 56.93 56.25 3a45 s PHE 64 Cb 0.01 -1.82 -0.02 0.00 0.51 0.00 0.00 43.02 41.70 3a45 s PHE 64 CO -0.06 0.24 -0.09 -2.00 0.70 0.00 0.00 175.22 174.01 3a45 s GLU 65 N -0.41 3.47 0.24 0.44 2.12 -0.10 -1.05 118.70 123.42 3a45 s GLU 65 Ca 0.07 -0.63 0.07 0.00 0.36 0.00 0.00 54.97 54.84 3a45 s GLU 65 Cb -0.12 -2.77 -0.05 0.00 0.26 0.00 0.00 34.13 31.44 3a45 s GLU 65 CO 0.02 0.15 -0.11 -0.51 -0.54 0.00 0.00 175.26 174.28 3a45 s LEU 66 N 0.54 2.52 0.10 2.70 1.02 0.51 0.38 118.68 126.45 3a45 s LEU 66 Ca -0.06 -1.10 -0.04 0.00 0.02 0.00 0.00 54.13 52.94 3a45 s LEU 66 Cb -0.15 -0.68 -0.02 0.00 0.02 0.00 0.00 46.19 45.35 3a45 s LEU 66 CO 0.03 -0.24 0.11 0.72 0.02 0.00 0.00 176.35 176.99 3a45 s PHE 67 N -2.97 0.50 -0.21 0.29 -0.71 -0.58 -2.04 117.98 112.26 3a45 s PHE 67 Ca 0.26 -0.94 -0.17 0.00 -1.04 0.00 0.00 56.93 55.04 3a45 s PHE 67 Cb 0.01 -0.27 -0.03 0.00 -1.21 0.00 0.00 43.02 41.51 3a45 s PHE 67 CO 0.10 -0.52 0.46 0.34 -1.34 0.00 0.00 175.22 174.26 3a45 s ASP 68 N -2.95 6.48 0.61 1.98 -1.08 -1.21 -2.16 116.67 118.34 3a45 s ASP 68 Ca 0.13 0.57 0.29 0.00 -0.52 0.00 0.00 52.55 53.03 3a45 s ASP 68 Cb 0.06 -2.26 1.57 0.00 -1.46 0.00 0.00 42.92 40.83 3a45 s ASP 68 CO -0.05 -0.15 1.95 -0.65 0.52 0.00 0.00 175.17 176.79 3a45 h PRO 69 N 7.53 0.00 0.00 4.34 0.11 -1.95 -3.25 132.00 138.78 3a45 h PRO 69 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3a45 h PRO 69 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3a45 h PRO 69 CO 0.72 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.60 3a45 n ASN 70 N -3.50 0.00 -4.55 -2.05 5.03 -1.26 -4.82 115.26 104.11 3a45 n ASN 70 Ca 0.04 0.05 -0.39 0.00 0.87 0.00 0.00 54.58 55.15 3a45 n ASN 70 Cb 0.51 -0.22 -0.03 0.00 -1.02 0.00 0.00 39.78 39.02 3a45 n ASN 70 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3a45 s ASP 71 N -2.19 5.98 0.00 6.41 3.68 -1.22 -4.83 116.67 124.49 3a45 s ASP 71 Ca 0.00 -0.51 0.19 0.00 2.13 0.00 0.00 52.55 54.36 3a45 s ASP 71 Cb 0.00 -2.56 1.10 0.00 -1.45 0.00 0.00 42.92 40.01 3a45 s ASP 71 CO 0.00 -1.94 1.54 0.29 0.13 0.00 0.00 175.17 175.19 3a45 n LYS 72 N 9.21 0.53 0.04 4.34 4.01 -1.25 -1.96 118.16 133.07 3a45 n LYS 72 Ca 0.15 0.02 0.11 0.00 -0.51 0.00 0.00 58.31 58.09 3a45 n LYS 72 Cb 0.50 -1.50 -0.09 0.00 -0.51 0.00 0.00 35.03 33.43 3a45 n LYS 72 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 3a45 n SER 73 N -1.06 0.38 -4.56 4.39 3.41 -1.26 -4.72 113.62 110.21 3a45 n SER 73 Ca 0.13 0.10 -0.41 0.00 -0.26 0.00 0.00 58.87 58.44 3a45 n SER 73 Cb 0.08 1.31 -0.03 0.00 -0.26 0.00 0.00 64.21 65.31 3a45 n SER 73 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3a45 s ASN 74 N -4.79 6.48 -0.16 4.04 3.04 -0.83 -4.97 114.94 117.74 3a45 s ASN 74 Ca -0.04 -1.39 -0.07 0.00 0.04 0.00 0.00 52.86 51.40 3a45 s ASN 74 Cb 0.12 -2.57 -0.04 0.00 -1.54 0.00 0.00 41.25 37.23 3a45 s ASN 74 CO 0.86 -1.52 0.06 -0.54 -3.04 0.00 0.00 177.10 172.91 3a45 s LYS 75 N 4.99 3.81 0.13 0.43 1.02 -1.26 -3.31 119.74 125.55 3a45 s LYS 75 Ca 0.45 -0.34 0.10 0.00 0.02 0.00 0.00 55.97 56.20 3a45 s LYS 75 Cb -0.01 -3.15 -0.04 0.00 -0.52 0.00 0.00 37.83 34.12 3a45 s LYS 75 CO -0.08 0.36 -0.25 -1.58 -0.92 0.00 0.00 175.35 172.88 3a45 s TRP 76 N 0.11 2.19 0.01 3.18 0.52 -0.87 -3.88 118.94 120.20 3a45 s TRP 76 Ca 0.05 -0.39 0.01 0.00 0.02 0.00 0.00 56.10 55.79 3a45 s TRP 76 Cb -0.12 -1.18 -0.01 0.00 -1.15 0.00 0.00 33.47 31.01 3a45 s TRP 76 CO 0.01 0.33 -0.03 0.71 0.02 0.00 0.00 176.95 177.99 3a45 s TYR 77 N -1.15 0.24 -0.30 -1.98 1.51 0.12 -0.36 117.35 115.42 3a45 s TYR 77 Ca 0.13 -0.16 -0.05 0.00 -1.01 0.00 0.00 57.07 55.98 3a45 s TYR 77 Cb -0.10 -0.15 0.03 0.00 -0.11 0.00 0.00 41.96 41.63 3a45 s TYR 77 CO 0.06 -0.04 0.05 0.42 -1.11 0.00 0.00 175.55 174.93 3a45 s ILE 78 N -0.41 3.59 -0.13 2.71 1.01 -0.21 -1.69 121.20 126.07 3a45 s ILE 78 Ca -0.03 -1.00 -0.22 0.00 0.00 0.00 0.00 60.65 59.40 3a45 s ILE 78 Cb -0.03 -2.94 -0.03 0.00 0.01 0.00 0.00 42.46 39.47 3a45 s ILE 78 CO -0.00 -0.02 0.68 0.26 0.00 0.00 0.00 174.94 175.86 3a45 s TRP 79 N 1.40 3.48 -0.02 3.97 0.52 0.14 -1.44 118.94 127.00 3a45 s TRP 79 Ca -0.00 1.11 -0.01 0.00 0.02 0.00 0.00 56.10 57.22 3a45 s TRP 79 Cb -0.18 -2.81 0.02 0.00 -1.15 0.00 0.00 33.47 29.34 3a45 s TRP 79 CO 0.01 -0.04 0.04 1.21 0.02 0.00 0.00 176.95 178.19 3a45 s ASN 80 N 0.97 -0.00 -0.04 2.95 3.04 0.29 -2.14 114.94 120.00 3a45 s ASN 80 Ca 0.34 0.08 0.05 0.00 0.04 0.00 0.00 52.86 53.36 3a45 s ASN 80 Cb -0.17 0.03 -0.00 0.00 -1.54 0.00 0.00 41.25 39.57 3a45 s ASN 80 CO 0.14 -0.07 -0.18 0.42 -3.04 0.00 0.00 177.10 174.38 3a45 s THR 81 N 0.51 1.46 -0.03 -5.21 -4.23 -1.04 -1.70 115.64 105.40 3a45 s THR 81 Ca -0.04 -0.74 -0.26 0.00 -1.18 0.00 0.00 61.69 59.47 3a45 s THR 81 Cb -0.06 -1.25 -0.21 0.00 1.34 0.00 0.00 72.50 72.33 3a45 s THR 81 CO -0.02 0.42 1.20 -0.26 -0.54 0.00 0.00 174.62 175.42 3a45 h PHE 82 N 6.17 0.05 -0.11 3.99 -1.00 -1.88 -1.65 116.94 122.50 3a45 h PHE 82 Ca -0.33 -0.02 0.01 0.00 2.81 0.00 0.00 57.97 60.44 3a45 h PHE 82 Cb 1.17 -0.01 -0.00 0.00 3.61 0.00 0.00 35.95 40.72 3a45 h PHE 82 CO 0.43 0.59 -0.02 0.41 -1.61 0.00 0.00 178.31 178.11 3a45 n GLY 83 N 0.43 -2.23 0.29 -1.45 0.00 -1.26 -2.17 105.19 98.79 3a45 n GLY 83 Ca -0.09 -1.51 0.09 0.00 0.00 0.00 0.00 46.02 44.52 3a45 n GLY 83 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3a45 h LEU 84 N 0.00 -0.02 -2.88 0.99 5.85 -1.94 -3.13 115.31 114.18 3a45 h LEU 84 Ca 0.00 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.89 3a45 h LEU 84 Cb 0.04 0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.31 3a45 h LEU 84 CO 0.00 -0.10 -0.02 0.35 -0.34 0.00 0.00 178.44 178.33 3a45 n THR 85 N -5.20 1.32 -2.29 1.05 -2.24 -1.26 -4.40 114.28 101.26 3a45 n THR 85 Ca 0.17 -1.49 -0.41 0.00 -2.27 0.00 0.00 64.05 60.05 3a45 n THR 85 Cb 0.56 0.19 -0.03 0.00 -2.10 0.00 0.00 70.33 68.95 3a45 n THR 85 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3a45 s GLY 86 N -1.80 2.58 -0.09 3.38 0.00 -0.92 -4.29 107.32 106.17 3a45 s GLY 86 Ca 0.14 1.04 -0.08 0.00 0.00 0.00 0.00 44.72 45.82 3a45 s GLY 86 CO 0.01 1.96 0.24 1.06 0.00 0.00 0.00 173.10 176.38 3a45 s MET 87 N -0.24 0.27 0.18 2.90 -1.94 0.19 -4.81 119.30 115.84 3a45 s MET 87 Ca 0.54 0.37 0.02 0.00 -1.71 0.00 0.00 55.69 54.91 3a45 s MET 87 Cb -0.35 0.09 -0.04 0.00 2.01 0.00 0.00 34.83 36.55 3a45 s MET 87 CO 0.38 -0.06 0.33 -1.58 -0.01 0.00 0.00 175.02 174.08 3a45 s TRP 88 N 0.32 3.48 0.22 -0.03 0.52 -1.26 -0.27 118.94 121.93 3a45 s TRP 88 Ca -0.02 0.16 -0.22 0.00 0.02 0.00 0.00 56.10 56.04 3a45 s TRP 88 Cb -0.03 -1.71 0.04 0.00 -1.15 0.00 0.00 33.47 30.62 3a45 s TRP 88 CO -0.01 0.46 0.75 -1.54 0.02 0.00 0.00 176.95 176.63 3a45 s SER 89 N -3.34 -0.31 0.00 2.95 1.04 0.37 -4.51 113.70 109.90 3a45 s SER 89 Ca 0.36 -0.43 0.22 0.00 0.48 0.00 0.00 55.95 56.58 3a45 s SER 89 Cb -0.11 0.65 -0.00 0.00 0.10 0.00 0.00 66.02 66.66 3a45 s SER 89 CO 0.29 -1.16 1.08 0.18 0.98 0.00 0.00 173.24 174.60 3a45 n LEU 90 N -0.44 1.60 -4.28 2.42 4.77 -1.26 -0.71 117.00 119.10 3a45 n LEU 90 Ca -0.07 -0.62 -0.24 0.00 -0.03 0.00 0.00 56.01 55.05 3a45 n LEU 90 Cb 0.61 -0.02 -0.12 0.00 -2.33 0.00 0.00 43.42 41.55 3a45 n LEU 90 CO 0.14 0.32 -0.51 0.72 -1.33 0.00 0.00 177.39 176.72 3a45 s PHE 91 N -2.65 1.78 -0.96 -1.77 -0.71 -1.26 -4.82 117.98 107.58 3a45 s PHE 91 Ca 0.15 -0.42 -0.24 0.00 -1.04 0.00 0.00 56.93 55.39 3a45 s PHE 91 Cb 0.18 -0.97 -0.02 0.00 -1.21 0.00 0.00 43.02 41.00 3a45 s PHE 91 CO 0.66 0.20 1.78 -2.00 -1.34 0.00 0.00 175.22 174.53 3a45 s GLU 92 N -1.91 2.92 0.83 1.99 2.12 -1.26 -4.79 118.70 118.59 3a45 s GLU 92 Ca 0.06 -0.64 -0.12 0.00 0.36 0.00 0.00 54.97 54.63 3a45 s GLU 92 Cb -0.10 -5.18 0.09 0.00 0.26 0.00 0.00 34.13 29.21 3a45 s GLU 92 CO 0.04 -3.01 1.20 0.00 -0.54 0.00 0.00 175.26 172.95 3a45 s ALA 93 N 8.35 2.60 0.47 6.30 0.00 -1.26 -4.97 121.76 133.25 3a45 s ALA 93 Ca 0.62 -0.72 -0.24 0.00 0.00 0.00 0.00 51.96 51.62 3a45 s ALA 93 Cb -0.04 -2.94 -0.08 0.00 0.00 0.00 0.00 23.12 20.06 3a45 s ALA 93 CO -0.03 -1.77 1.34 1.17 0.00 0.00 0.00 175.76 176.47 3a45 n LYS 94 N -3.38 1.96 -2.56 0.00 4.81 -1.26 -2.44 118.16 115.30 3a45 n LYS 94 Ca 0.09 0.70 -0.18 0.00 -0.87 0.00 0.00 58.31 58.05 3a45 n LYS 94 Cb 0.61 -2.52 0.01 0.00 0.02 0.00 0.00 35.03 33.15 3a45 n LYS 94 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3a45 n TYR 95 N -0.46 -1.16 -2.09 5.64 4.02 -1.26 -4.72 117.16 117.13 3a45 n TYR 95 Ca 0.07 0.18 -0.42 0.00 -0.01 0.00 0.00 57.90 57.72 3a45 n TYR 95 Cb 0.42 -3.67 -0.03 0.00 -0.02 0.00 0.00 39.34 36.04 3a45 n TYR 95 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 3a45 s THR 96 N -2.95 3.11 -0.20 -0.72 2.01 -1.02 -1.44 115.64 114.42 3a45 s THR 96 Ca 0.10 0.78 -0.01 0.00 0.31 0.00 0.00 61.69 62.87 3a45 s THR 96 Cb -0.05 -3.50 -0.12 0.00 0.01 0.00 0.00 72.50 68.84 3a45 s THR 96 CO 0.13 0.06 -0.19 0.54 -0.69 0.00 0.00 174.62 174.46 3a45 n ARG 97 N 4.07 0.48 -5.22 4.92 5.12 0.11 -4.42 116.66 121.72 3a45 n ARG 97 Ca 0.12 0.13 -0.31 0.00 -1.93 0.00 0.00 57.85 55.86 3a45 n ARG 97 Cb 0.41 -1.36 -0.15 0.00 -1.16 0.00 0.00 32.46 30.19 3a45 n ARG 97 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3a45 s ALA 98 N -2.39 2.27 -0.14 7.54 0.00 -0.96 -1.46 121.76 126.62 3a45 s ALA 98 Ca -0.27 -1.08 0.01 0.00 0.00 0.00 0.00 51.96 50.62 3a45 s ALA 98 Cb 0.08 -0.65 0.02 0.00 0.00 0.00 0.00 23.12 22.56 3a45 s ALA 98 CO 0.44 0.52 -0.15 0.08 0.00 0.00 0.00 175.76 176.65 3a45 s VAL 99 N -0.58 1.60 -0.24 0.00 1.01 0.39 -1.71 120.40 120.87 3a45 s VAL 99 Ca 0.09 -0.66 -0.08 0.00 0.00 0.00 0.00 61.98 61.32 3a45 s VAL 99 Cb -0.11 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.76 3a45 s VAL 99 CO -0.00 0.46 0.09 -0.76 0.00 0.00 0.00 175.10 174.89 3a45 s LEU 100 N 1.32 3.63 -0.28 3.92 1.02 -0.19 -0.61 118.68 127.50 3a45 s LEU 100 Ca 0.02 -0.10 -0.08 0.00 0.02 0.00 0.00 54.13 53.99 3a45 s LEU 100 Cb -0.13 -1.96 -0.01 0.00 0.02 0.00 0.00 46.19 44.10 3a45 s LEU 100 CO -0.08 0.02 0.09 -0.44 0.02 0.00 0.00 176.35 175.96 3a45 s SER 101 N 1.30 5.22 0.36 2.29 0.01 0.71 -2.23 113.70 121.36 3a45 s SER 101 Ca 0.05 -0.43 0.08 0.00 1.31 0.00 0.00 55.95 56.96 3a45 s SER 101 Cb -0.15 -1.93 -0.03 0.00 0.21 0.00 0.00 66.02 64.13 3a45 s SER 101 CO 0.04 -0.12 0.31 -0.36 0.41 0.00 0.00 173.24 173.53 3a45 s PHE 102 N 1.58 2.85 0.75 2.43 0.40 -0.69 0.41 117.98 125.71 3a45 s PHE 102 Ca 0.05 -0.35 -0.14 0.00 -0.60 0.00 0.00 56.93 55.89 3a45 s PHE 102 Cb -0.16 -1.89 0.05 0.00 0.51 0.00 0.00 43.02 41.52 3a45 s PHE 102 CO 0.04 0.10 1.16 0.34 0.70 0.00 0.00 175.22 177.56 3a45 s ASP 103 N -4.03 4.24 -1.02 1.36 3.68 -0.57 -3.70 116.67 116.63 3a45 s ASP 103 Ca 0.43 2.19 -0.05 0.00 2.13 0.00 0.00 52.55 57.25 3a45 s ASP 103 Cb -0.05 -2.57 0.01 0.00 -1.45 0.00 0.00 42.92 38.86 3a45 s ASP 103 CO 0.27 -2.22 0.88 0.59 0.13 0.00 0.00 175.17 174.82 3a45 n ASN 104 N -2.97 -4.24 -0.21 -0.34 3.02 -1.26 -3.42 115.26 105.85 3a45 n ASN 104 Ca 0.12 -0.45 -0.02 0.00 -0.03 0.00 0.00 54.58 54.20 3a45 n ASN 104 Cb 0.51 -4.09 -0.01 0.00 -0.61 0.00 0.00 39.78 35.58 3a45 n ASN 104 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3a45 n GLU 105 N -3.84 -1.89 -2.49 3.52 1.02 -1.24 -4.93 120.64 110.78 3a45 n GLU 105 Ca -0.08 0.38 -0.41 0.00 -0.02 0.00 0.00 57.16 57.04 3a45 n GLU 105 Cb 0.58 -4.22 -0.04 0.00 -0.02 0.00 0.00 31.44 27.74 3a45 n GLU 105 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3a45 s LEU 106 N -0.56 4.49 0.04 -4.62 1.43 -1.22 -4.95 118.68 113.30 3a45 s LEU 106 Ca 0.00 2.14 0.02 0.00 -1.03 0.00 0.00 54.13 55.26 3a45 s LEU 106 Cb 0.00 -3.61 -0.02 0.00 0.03 0.00 0.00 46.19 42.59 3a45 s LEU 106 CO 0.00 -0.23 -0.08 -0.04 0.23 0.00 0.00 176.35 176.23 3a45 s MET 107 N -0.53 0.54 0.01 1.70 -1.94 -1.26 -1.70 119.30 116.13 3a45 s MET 107 Ca 0.49 -0.75 0.04 0.00 -1.71 0.00 0.00 55.69 53.75 3a45 s MET 107 Cb -0.30 -0.33 -0.01 0.00 2.01 0.00 0.00 34.83 36.20 3a45 s MET 107 CO 0.36 0.06 -0.11 0.00 -0.01 0.00 0.00 175.02 175.32 3a45 s ALA 108 N -1.34 0.95 0.06 3.03 0.00 -0.95 -4.74 121.76 118.76 3a45 s ALA 108 Ca -0.09 -0.60 0.04 0.00 0.00 0.00 0.00 51.96 51.31 3a45 s ALA 108 Cb -0.10 -0.19 -0.03 0.00 0.00 0.00 0.00 23.12 22.81 3a45 s ALA 108 CO 0.00 0.20 -0.13 0.71 0.00 0.00 0.00 175.76 176.55 3a45 s TYR 109 N -0.54 1.09 -0.18 0.00 1.51 0.11 -1.02 117.35 118.33 3a45 s TYR 109 Ca 0.02 -0.43 0.01 0.00 -1.01 0.00 0.00 57.07 55.66 3a45 s TYR 109 Cb -0.06 -0.63 0.03 0.00 -0.11 0.00 0.00 41.96 41.20 3a45 s TYR 109 CO 0.00 0.02 -0.15 0.12 -1.11 0.00 0.00 175.55 174.44 3a45 s PHE 110 N -1.16 2.53 0.05 2.71 5.36 -0.69 -0.48 117.98 126.30 3a45 s PHE 110 Ca -0.03 -1.55 0.04 0.00 -0.96 0.00 0.00 56.93 54.44 3a45 s PHE 110 Cb -0.09 -1.74 -0.04 0.00 -0.34 0.00 0.00 43.02 40.81 3a45 s PHE 110 CO 0.02 -0.75 -0.06 -1.54 -1.46 0.00 0.00 175.22 171.43 3a45 s SER 111 N 1.37 4.68 -0.45 6.13 1.04 0.63 0.06 113.70 127.16 3a45 s SER 111 Ca 0.02 -0.21 0.06 0.00 0.48 0.00 0.00 55.95 56.30 3a45 s SER 111 Cb -0.14 -1.06 0.19 0.00 0.10 0.00 0.00 66.02 65.11 3a45 s SER 111 CO -0.10 0.23 0.73 -0.62 0.98 0.00 0.00 173.24 174.46 3a45 s ASP 112 N -1.83 -1.35 0.24 7.02 2.15 -0.52 -0.64 116.67 121.74 3a45 s ASP 112 Ca 0.20 -1.15 -0.05 0.00 0.43 0.00 0.00 52.55 51.98 3a45 s ASP 112 Cb -0.11 1.75 0.45 0.00 -0.30 0.00 0.00 42.92 44.70 3a45 s ASP 112 CO 0.12 -0.10 1.72 -0.03 -0.17 0.00 0.00 175.17 176.71 3a45 h MET 113 N 5.82 0.38 0.00 4.34 1.85 -1.77 -1.79 114.93 123.76 3a45 h MET 113 Ca 0.05 -0.02 0.00 0.00 -0.61 0.00 0.00 59.70 59.11 3a45 h MET 113 Cb 1.15 -0.09 0.00 0.00 0.43 0.00 0.00 31.60 33.10 3a45 h MET 113 CO 0.04 0.25 -0.10 0.54 -0.40 0.00 0.00 176.91 177.23 3a45 n ARG 114 N -5.04 0.01 -2.39 0.39 5.12 -1.26 -4.96 116.66 108.53 3a45 n ARG 114 Ca 0.14 0.01 -0.17 0.00 -1.93 0.00 0.00 57.85 55.90 3a45 n ARG 114 Cb 0.42 -1.51 -0.00 0.00 -1.16 0.00 0.00 32.46 30.20 3a45 n ARG 114 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 3a45 n ASN 115 N -1.53 -4.90 0.09 0.55 3.02 -0.67 -4.91 115.26 106.91 3a45 n ASN 115 Ca 0.07 -0.04 0.08 0.00 -0.03 0.00 0.00 54.58 54.65 3a45 n ASN 115 Cb 0.34 -3.97 -0.01 0.00 -0.61 0.00 0.00 39.78 35.52 3a45 n ASN 115 CO 0.00 0.00 0.00 -0.26 -2.62 0.00 0.00 177.26 174.38 3a45 h PHE 116 N -0.15 0.00 -4.25 3.10 0.04 -1.85 -3.47 116.94 110.35 3a45 h PHE 116 Ca -0.39 0.00 -0.52 0.00 2.80 0.00 0.00 57.97 59.85 3a45 h PHE 116 Cb 1.29 0.00 0.18 0.00 2.20 0.00 0.00 35.95 39.61 3a45 h PHE 116 CO 0.43 0.17 0.29 0.20 -0.60 0.00 0.00 178.31 178.80 3a45 s GLY 117 N -4.48 1.88 0.16 -1.45 0.00 -1.17 -4.67 107.32 97.60 3a45 s GLY 117 Ca -0.01 0.63 0.04 0.00 0.00 0.00 0.00 44.72 45.39 3a45 s GLY 117 CO 0.79 1.04 -0.09 -0.51 0.00 0.00 0.00 173.10 174.33 3a45 s THR 118 N -2.49 1.14 0.03 0.90 -4.23 -0.62 -4.96 115.64 105.41 3a45 s THR 118 Ca 0.68 -2.06 -0.04 0.00 -1.18 0.00 0.00 61.69 59.10 3a45 s THR 118 Cb -0.24 -1.92 -0.02 0.00 1.34 0.00 0.00 72.50 71.66 3a45 s THR 118 CO 0.54 -0.68 0.05 -0.36 -0.54 0.00 0.00 174.62 173.63 3a45 s PHE 119 N -3.35 0.24 -0.23 3.99 0.40 -1.26 -2.49 117.98 115.29 3a45 s PHE 119 Ca 0.19 -0.54 -0.27 0.00 -0.60 0.00 0.00 56.93 55.71 3a45 s PHE 119 Cb 0.03 -0.18 0.10 0.00 0.51 0.00 0.00 43.02 43.48 3a45 s PHE 119 CO 0.02 -0.30 0.87 0.21 0.70 0.00 0.00 175.22 176.71 3a45 s LYS 120 N -2.27 0.71 -0.12 0.44 2.20 -0.91 -4.46 119.74 115.33 3a45 s LYS 120 Ca -0.08 0.63 0.01 0.00 -0.36 0.00 0.00 55.97 56.18 3a45 s LYS 120 Cb -0.03 0.35 -0.01 0.00 -1.51 0.00 0.00 37.83 36.62 3a45 s LYS 120 CO -0.03 -0.13 -0.17 -0.06 -0.36 0.00 0.00 175.35 174.60 3a45 s PHE 121 N -0.10 2.72 -0.03 4.03 0.08 -0.01 -0.68 117.98 123.99 3a45 s PHE 121 Ca -0.01 -0.80 0.01 0.00 0.12 0.00 0.00 56.93 56.26 3a45 s PHE 121 Cb -0.04 -1.80 0.01 0.00 -0.57 0.00 0.00 43.02 40.63 3a45 s PHE 121 CO -0.00 -0.29 -0.05 0.45 -0.10 0.00 0.00 175.22 175.22 3a45 s SER 122 N 0.36 0.88 -0.32 1.36 0.15 -0.68 -4.18 113.70 111.26 3a45 s SER 122 Ca -0.14 -0.13 0.07 0.00 0.70 0.00 0.00 55.95 56.45 3a45 s SER 122 Cb -0.17 -0.31 0.63 0.00 -1.71 0.00 0.00 66.02 64.46 3a45 s SER 122 CO 0.07 -0.00 1.72 -3.20 1.20 0.00 0.00 173.24 173.03 3a45 n ASN 123 N 3.61 4.19 -3.82 5.45 5.15 -1.26 -0.70 115.26 127.87 3a45 n ASN 123 Ca -0.21 -3.18 -0.28 0.00 -0.60 0.00 0.00 54.58 50.31 3a45 n ASN 123 Cb 0.53 -0.75 -0.16 0.00 -0.53 0.00 0.00 39.78 38.87 3a45 n ASN 123 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 3a45 s SER 124 N -0.88 2.91 0.20 1.20 0.15 -1.25 -4.63 113.70 111.40 3a45 s SER 124 Ca 0.49 -0.76 -0.08 0.00 0.70 0.00 0.00 55.95 56.30 3a45 s SER 124 Cb 0.40 -0.78 0.13 0.00 -1.71 0.00 0.00 66.02 64.05 3a45 s SER 124 CO 0.11 -0.24 1.68 -0.08 1.20 0.00 0.00 173.24 175.91 3a45 h GLU 125 N 8.16 1.05 -0.56 5.44 4.81 -1.90 -2.62 114.58 128.97 3a45 h GLU 125 Ca -0.19 -0.30 0.01 0.00 -0.13 0.00 0.00 59.36 58.74 3a45 h GLU 125 Cb 1.11 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 30.35 3a45 h GLU 125 CO 0.36 1.00 0.37 1.57 -0.73 0.00 0.00 179.01 181.58 3a45 h LYS 126 N 0.98 0.73 0.00 1.92 -0.00 -2.00 -1.14 116.57 117.05 3a45 h LYS 126 Ca 0.18 -0.04 -0.12 0.00 -0.00 0.00 0.00 60.65 60.67 3a45 h LYS 126 Cb 0.49 -0.16 -0.02 0.00 -0.00 0.00 0.00 32.23 32.54 3a45 h LYS 126 CO 0.02 0.48 -0.56 1.49 -0.00 0.00 0.00 179.45 180.88 3a45 h GLU 127 N 0.75 0.00 -0.54 0.07 4.81 -1.90 -2.84 114.58 114.93 3a45 h GLU 127 Ca 0.21 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.37 3a45 h GLU 127 Cb -0.08 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 3a45 h GLU 127 CO -0.04 0.56 0.10 1.25 -0.73 0.00 0.00 179.01 180.15 3a45 h LEU 128 N 0.00 0.85 -0.77 1.64 5.85 -0.91 -0.91 115.31 121.06 3a45 h LEU 128 Ca -0.01 -0.25 0.01 0.00 0.84 0.00 0.00 57.88 58.47 3a45 h LEU 128 Cb 1.05 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.81 3a45 h LEU 128 CO 0.07 0.88 0.51 0.11 -0.34 0.00 0.00 178.44 179.67 3a45 h LYS 129 N 0.78 1.02 -0.34 1.25 1.57 -1.27 0.11 116.57 119.69 3a45 h LYS 129 Ca 0.17 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 3a45 h LYS 129 Cb 0.39 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 3a45 h LYS 129 CO 0.01 0.68 0.12 -0.09 -0.57 0.00 0.00 179.45 179.60 3a45 h ARG 130 N 1.05 0.53 -0.99 3.15 2.43 -1.27 -1.80 114.38 117.47 3a45 h ARG 130 Ca 0.28 -0.11 0.02 0.00 -0.81 0.00 0.00 59.98 59.37 3a45 h ARG 130 Cb -0.11 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.31 3a45 h ARG 130 CO -0.06 0.54 0.65 -0.22 -1.51 0.00 0.00 179.97 179.37 3a45 h LYS 131 N 0.41 1.26 -0.14 0.20 1.63 -0.52 -2.88 116.57 116.53 3a45 h LYS 131 Ca 0.11 -0.08 -0.18 0.00 -0.85 0.00 0.00 60.65 59.66 3a45 h LYS 131 Cb 0.22 -0.28 -0.00 0.00 -0.60 0.00 0.00 32.23 31.56 3a45 h LYS 131 CO -0.01 0.83 -0.65 -0.07 -3.45 0.00 0.00 179.45 176.11 3a45 h LEU 132 N 1.30 0.63 0.00 5.20 3.38 -0.60 -3.09 115.31 122.13 3a45 h LEU 132 Ca 0.38 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3a45 h LEU 132 Cb -0.07 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.49 3a45 h LEU 132 CO -0.10 1.12 0.00 0.59 0.09 0.00 0.00 178.44 180.13 3a45 n ASN 133 N -3.91 0.00 -1.06 -0.43 5.03 -0.70 -1.54 115.26 112.65 3a45 n ASN 133 Ca -0.04 0.02 0.08 0.00 0.87 0.00 0.00 54.58 55.50 3a45 n ASN 133 Cb 0.67 -0.23 0.24 0.00 -1.02 0.00 0.00 39.78 39.44 3a45 n ASN 133 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3a45 n GLU 134 N -1.23 2.47 -4.77 3.52 1.02 -1.17 -4.82 120.64 115.67 3a45 n GLU 134 Ca 0.06 -1.96 -0.24 0.00 -0.02 0.00 0.00 57.16 55.00 3a45 n GLU 134 Cb 0.08 -1.51 -0.15 0.00 -0.02 0.00 0.00 31.44 29.84 3a45 n GLU 134 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3a45 s LEU 135 N -1.15 2.06 1.00 -4.62 1.43 -0.59 -4.67 118.68 112.13 3a45 s LEU 135 Ca 0.36 -0.34 -0.15 0.00 -1.03 0.00 0.00 54.13 52.97 3a45 s LEU 135 Cb 0.20 -0.88 0.19 0.00 0.03 0.00 0.00 46.19 45.74 3a45 s LEU 135 CO 0.22 0.20 1.19 -0.83 0.23 0.00 0.00 176.35 177.36 3a45 s GLY 136 N -0.53 1.65 0.43 -3.19 0.00 0.16 -4.92 107.32 100.92 3a45 s GLY 136 Ca 0.06 -0.86 -0.25 0.00 0.00 0.00 0.00 44.72 43.67 3a45 s GLY 136 CO -0.00 -0.15 1.18 -1.05 0.00 0.00 0.00 173.10 173.08 3a45 n PRO 137 N -4.00 1.71 -1.98 2.90 -0.02 -1.26 -3.52 135.00 128.82 3a45 n PRO 137 Ca 0.11 0.61 -0.43 0.00 -2.02 0.00 0.00 63.50 61.77 3a45 n PRO 137 Cb 0.59 -2.27 -0.03 0.00 -0.02 0.00 0.00 33.50 31.78 3a45 n PRO 137 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3a45 s ASP 138 N -0.62 6.19 0.52 2.55 -1.08 -1.26 -0.11 116.67 122.85 3a45 s ASP 138 Ca 0.62 1.72 0.19 0.00 -0.52 0.00 0.00 52.55 54.56 3a45 s ASP 138 Cb -0.52 -2.53 1.30 0.00 -1.46 0.00 0.00 42.92 39.71 3a45 s ASP 138 CO 0.57 -1.40 2.09 -0.26 0.52 0.00 0.00 175.17 176.69 3a45 h PHE 139 N 11.63 0.03 0.02 -5.34 0.05 -1.40 0.18 116.94 122.11 3a45 h PHE 139 Ca -0.36 0.00 -0.15 0.00 3.82 0.00 0.00 57.97 61.27 3a45 h PHE 139 Cb 1.18 -0.01 -0.01 0.00 2.00 0.00 0.00 35.95 39.10 3a45 h PHE 139 CO 0.93 0.01 -0.81 1.25 -0.18 0.00 0.00 178.31 179.51 3a45 h LEU 140 N 0.03 0.08 0.00 1.54 5.85 -1.90 -3.41 115.31 117.50 3a45 h LEU 140 Ca 0.10 -0.76 0.00 0.00 0.84 0.00 0.00 57.88 58.05 3a45 h LEU 140 Cb 0.36 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.36 3a45 h LEU 140 CO -0.00 1.33 -0.44 0.11 -0.34 0.00 0.00 178.44 179.10 3a45 h LYS 141 N -0.86 0.00 -4.83 1.25 1.57 -1.91 -3.39 116.57 108.40 3a45 h LYS 141 Ca -0.21 0.00 -0.68 0.00 -1.87 0.00 0.00 60.65 57.89 3a45 h LYS 141 Cb 1.28 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 33.41 3a45 h LYS 141 CO -0.07 0.00 -0.30 1.21 -0.57 0.00 0.00 179.45 179.72 3a45 s ASN 142 N -5.80 6.16 0.00 0.86 3.04 0.62 -4.89 114.94 114.93 3a45 s ASN 142 Ca 0.04 -0.51 0.29 0.00 0.04 0.00 0.00 52.86 52.72 3a45 s ASN 142 Cb 0.07 -2.20 1.71 0.00 -1.54 0.00 0.00 41.25 39.29 3a45 s ASN 142 CO 0.72 -0.43 2.05 -0.67 -3.04 0.00 0.00 177.10 175.73 3a45 n ASP 143 N 5.40 0.00 -3.07 -4.21 2.03 -1.26 -4.34 116.55 111.10 3a45 n ASP 143 Ca -0.09 -0.89 -0.17 0.00 0.52 0.00 0.00 54.79 54.16 3a45 n ASP 143 Cb 0.48 -0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.84 3a45 n ASP 143 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 3a45 n ASP 144 N -1.00 -1.46 -4.78 1.67 5.68 -1.26 -5.01 116.55 110.38 3a45 n ASP 144 Ca 0.21 -2.76 -0.36 0.00 -0.50 0.00 0.00 54.79 51.38 3a45 n ASP 144 Cb 0.10 0.41 -0.07 0.00 -1.14 0.00 0.00 41.12 40.42 3a45 n ASP 144 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 3a45 s ILE 145 N 0.04 5.35 -1.10 2.12 1.01 -1.26 -5.00 121.20 122.36 3a45 s ILE 145 Ca 0.33 0.40 -0.23 0.00 0.00 0.00 0.00 60.65 61.15 3a45 s ILE 145 Cb 0.10 -3.54 -0.04 0.00 0.01 0.00 0.00 42.46 39.00 3a45 s ILE 145 CO -0.15 0.49 1.87 1.51 0.00 0.00 0.00 174.94 178.65 3a45 s ASP 146 N -0.15 5.45 0.62 3.58 -4.77 -1.26 -4.75 116.67 115.38 3a45 s ASP 146 Ca 0.15 -1.45 0.35 0.00 -3.30 0.00 0.00 52.55 48.30 3a45 s ASP 146 Cb -0.13 -2.58 2.04 0.00 -1.09 0.00 0.00 42.92 41.17 3a45 s ASP 146 CO 0.03 -2.57 2.30 0.40 0.70 0.00 0.00 175.17 176.03 3a45 h ILE 147 N 6.49 0.33 0.00 2.11 1.08 -1.94 -2.62 117.51 122.96 3a45 h ILE 147 Ca 0.21 -0.02 0.00 0.00 -0.39 0.00 0.00 64.86 64.66 3a45 h ILE 147 Cb 0.96 1.02 0.00 0.00 -3.07 0.00 0.00 36.82 35.72 3a45 h ILE 147 CO 1.27 0.00 0.10 -1.54 -0.69 0.00 0.00 178.15 177.29 3a45 n SER 148 N -3.55 0.02 0.22 1.72 3.41 -1.26 -1.41 113.62 112.77 3a45 n SER 148 Ca -0.03 0.42 0.07 0.00 -0.26 0.00 0.00 58.87 59.06 3a45 n SER 148 Cb 0.08 -0.42 0.49 0.00 -0.26 0.00 0.00 64.21 64.10 3a45 n SER 148 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 3a45 h LYS 149 N 0.00 0.00 -0.82 4.33 3.64 -1.88 -3.17 116.57 118.68 3a45 h LYS 149 Ca 0.00 0.00 0.18 0.00 -1.27 0.00 0.00 60.65 59.56 3a45 h LYS 149 Cb 0.20 0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 31.91 3a45 h LYS 149 CO 0.00 0.27 0.33 0.82 -2.27 0.00 0.00 179.45 178.60 3a45 h ILE 150 N 0.00 0.57 0.00 2.00 5.03 -1.51 -0.92 117.51 122.68 3a45 h ILE 150 Ca -0.00 -0.14 0.00 0.00 -0.12 0.00 0.00 64.86 64.59 3a45 h ILE 150 Cb 0.56 0.11 0.00 0.00 -3.03 0.00 0.00 36.82 34.46 3a45 h ILE 150 CO 0.03 0.08 0.00 2.29 -0.68 0.00 0.00 178.15 179.87 3a45 n LYS 151 N -5.03 0.34 0.00 2.37 2.85 -1.20 -1.87 118.16 115.62 3a45 n LYS 151 Ca 0.18 0.00 0.12 0.00 -1.05 0.00 0.00 58.31 57.55 3a45 n LYS 151 Cb 0.52 -1.45 0.15 0.00 -0.65 0.00 0.00 35.03 33.60 3a45 n LYS 151 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 3a45 n LYS 152 N -0.95 0.63 -3.89 -1.58 5.02 -0.35 -4.28 118.16 112.77 3a45 n LYS 152 Ca 0.07 -0.45 -0.35 0.00 -2.02 0.00 0.00 58.31 55.56 3a45 n LYS 152 Cb 0.03 -1.49 -0.14 0.00 -0.02 0.00 0.00 35.03 33.42 3a45 n LYS 152 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3a45 s TYR 153 N -2.68 3.05 -1.04 2.13 2.02 -0.78 -4.99 117.35 115.06 3a45 s TYR 153 Ca 0.17 -1.21 -0.08 0.00 -0.37 0.00 0.00 57.07 55.59 3a45 s TYR 153 Cb 0.18 -2.13 -0.09 0.00 -0.40 0.00 0.00 41.96 39.52 3a45 s TYR 153 CO 0.63 -0.63 3.04 1.63 -1.57 0.00 0.00 175.55 178.66 3a45 n LYS 154 N 4.76 3.27 -4.16 -0.62 5.02 -1.26 -1.88 118.16 123.29 3a45 n LYS 154 Ca -0.16 -2.08 -0.11 0.00 -2.02 0.00 0.00 58.31 53.94 3a45 n LYS 154 Cb 0.48 -2.50 -0.10 0.00 -0.02 0.00 0.00 35.03 32.89 3a45 n LYS 154 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3a45 s GLN 155 N 1.02 0.81 0.46 1.97 -0.21 -1.26 -4.91 119.66 117.54 3a45 s GLN 155 Ca 0.66 -1.29 -0.22 0.00 0.02 0.00 0.00 55.36 54.53 3a45 s GLN 155 Cb 0.24 -0.21 -0.10 0.00 1.00 0.00 0.00 33.01 33.93 3a45 s GLN 155 CO -0.06 -0.01 0.78 -2.30 -2.12 0.00 0.00 175.29 171.57 3a45 n PRO 156 N 0.07 0.90 0.16 2.91 -0.02 -1.26 0.45 135.00 138.22 3a45 n PRO 156 Ca -0.13 0.33 0.02 0.00 -2.02 0.00 0.00 63.50 61.70 3a45 n PRO 156 Cb 0.60 -1.82 0.26 0.00 -0.02 0.00 0.00 33.50 32.52 3a45 n PRO 156 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 3a45 h ILE 157 N 0.97 1.15 0.00 4.25 6.09 -1.14 -2.63 117.51 126.20 3a45 h ILE 157 Ca -0.44 -1.81 -0.07 0.00 -1.37 0.00 0.00 64.86 61.18 3a45 h ILE 157 Cb 1.37 2.03 -0.01 0.00 0.47 0.00 0.00 36.82 40.68 3a45 h ILE 157 CO 0.53 0.48 -0.31 1.62 -3.07 0.00 0.00 178.15 177.40 3a45 h VAL 158 N 0.00 1.01 0.18 2.19 3.04 -1.81 -1.61 116.25 119.25 3a45 h VAL 158 Ca -0.00 -1.16 -0.31 0.00 -1.01 0.00 0.00 66.70 64.22 3a45 h VAL 158 Cb 0.99 1.66 0.03 0.00 -2.01 0.00 0.00 31.29 31.97 3a45 h VAL 158 CO 0.06 0.31 -1.32 0.00 -1.01 0.00 0.00 177.57 175.61 3a45 h ALA 159 N 1.69 -0.09 -0.18 3.17 0.00 -1.78 -2.23 119.26 119.85 3a45 h ALA 159 Ca -0.00 -0.80 -0.06 0.00 0.00 0.00 0.00 54.91 54.04 3a45 h ALA 159 Cb 0.64 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3a45 h ALA 159 CO 0.04 0.67 -0.16 -0.07 0.00 0.00 0.00 179.25 179.73 3a45 h LEU 160 N 0.18 0.28 0.00 0.00 3.38 -1.23 -1.56 115.31 116.37 3a45 h LEU 160 Ca -0.22 -0.07 -0.21 0.00 0.09 0.00 0.00 57.88 57.48 3a45 h LEU 160 Cb 2.01 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 42.66 3a45 h LEU 160 CO 0.25 0.47 -1.11 -0.07 0.09 0.00 0.00 178.44 178.07 3a45 h LEU 161 N 0.28 0.00 -0.42 1.67 3.38 -1.35 -3.26 115.31 115.61 3a45 h LEU 161 Ca 0.05 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 3a45 h LEU 161 Cb 0.45 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 3a45 h LEU 161 CO 0.03 0.87 -0.26 0.24 0.09 0.00 0.00 178.44 179.41 3a45 h MET 162 N 0.00 0.00 -6.72 1.13 2.86 -1.18 -3.42 114.93 107.60 3a45 h MET 162 Ca -0.09 0.00 -0.52 0.00 -2.06 0.00 0.00 59.70 57.03 3a45 h MET 162 Cb 1.74 0.00 0.03 0.00 0.06 0.00 0.00 31.60 33.42 3a45 h MET 162 CO 0.10 0.26 0.56 0.34 1.06 0.00 0.00 176.91 179.23 3a45 s ASP 163 N -6.26 7.06 0.00 1.22 -1.08 -0.60 -4.93 116.67 112.07 3a45 s ASP 163 Ca 0.04 2.32 0.28 0.00 -0.52 0.00 0.00 52.55 54.67 3a45 s ASP 163 Cb 0.08 -2.62 1.15 0.00 -1.46 0.00 0.00 42.92 40.07 3a45 s ASP 163 CO 0.68 -0.37 1.80 0.00 0.52 0.00 0.00 175.17 177.81 3a45 n GLN 164 N 2.03 1.15 0.00 4.34 1.13 -1.26 -4.48 117.38 120.30 3a45 n GLN 164 Ca 0.03 -0.55 0.00 0.00 -1.94 0.00 0.00 57.00 54.54 3a45 n GLN 164 Cb 0.44 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.30 3a45 n GLN 164 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79 3a45 n LYS 165 N -0.45 0.00 -0.28 -1.09 3.00 -1.25 0.39 118.16 118.49 3a45 n LYS 165 Ca 0.17 0.00 -0.07 0.00 -0.00 0.00 0.00 58.31 58.41 3a45 n LYS 165 Cb 0.30 -0.70 -0.07 0.00 0.00 0.00 0.00 35.03 34.56 3a45 n LYS 165 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 3a45 n LYS 166 N -2.46 -0.29 -0.07 1.64 4.76 -1.26 -4.07 118.16 116.40 3a45 n LYS 166 Ca 0.00 1.31 -0.15 0.00 -2.87 0.00 0.00 58.31 56.60 3a45 n LYS 166 Cb 0.37 -1.94 -0.05 0.00 -1.84 0.00 0.00 35.03 31.57 3a45 n LYS 166 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 3a45 n ILE 167 N -4.50 0.80 -3.85 -0.18 -0.00 -1.26 -5.00 119.36 105.37 3a45 n ILE 167 Ca 0.01 -0.21 -0.06 0.00 -0.00 0.00 0.00 62.75 62.49 3a45 n ILE 167 Cb 0.17 -1.64 0.02 0.00 -0.00 0.00 0.00 39.64 38.19 3a45 n ILE 167 CO 0.00 0.00 0.00 -0.83 -0.00 0.00 0.00 176.55 175.72 3a45 s GLY 168 N -5.27 0.22 0.19 7.39 0.00 -1.26 -4.28 107.32 104.32 3a45 s GLY 168 Ca -0.20 -0.52 0.09 0.00 0.00 0.00 0.00 44.72 44.09 3a45 s GLY 168 CO 0.26 1.22 -0.18 -1.35 0.00 0.00 0.00 173.10 173.05 3a45 s SER 169 N -3.26 2.84 0.00 1.64 1.04 0.84 -3.86 113.70 112.95 3a45 s SER 169 Ca 0.19 -0.92 0.00 0.00 0.48 0.00 0.00 55.95 55.70 3a45 s SER 169 Cb -0.04 -0.18 0.00 0.00 0.10 0.00 0.00 66.02 65.90 3a45 s SER 169 CO 0.08 -0.04 0.00 0.61 0.98 0.00 0.00 173.24 174.87 3a45 n GLY 170 N 0.01 1.92 3.80 7.32 0.00 -1.26 -1.06 105.19 115.92 3a45 n GLY 170 Ca -0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 3a45 n GLY 170 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a45 s LEU 171 N 0.00 4.46 0.00 0.99 1.43 -1.26 -0.21 118.68 124.08 3a45 s LEU 171 Ca 0.00 1.08 0.00 0.00 -1.03 0.00 0.00 54.13 54.18 3a45 s LEU 171 Cb 0.00 -2.77 0.00 0.00 0.03 0.00 0.00 46.19 43.45 3a45 s LEU 171 CO 0.00 0.22 0.00 0.61 0.23 0.00 0.00 176.35 177.41 3a45 n GLY 172 N 2.10 6.87 0.23 -3.19 0.00 -1.26 -4.75 105.19 105.19 3a45 n GLY 172 Ca -0.10 -1.90 -0.11 0.00 0.00 0.00 0.00 46.02 43.91 3a45 n GLY 172 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3a45 h ASN 173 N 0.00 -0.56 -0.05 1.61 2.35 -1.97 -2.22 115.58 114.73 3a45 h ASN 173 Ca 0.00 0.08 -0.16 0.00 -0.55 0.00 0.00 56.30 55.67 3a45 h ASN 173 Cb 0.00 0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 3a45 h ASN 173 CO 0.00 -0.26 -0.52 0.10 -1.65 0.00 0.00 177.43 175.10 3a45 h TYR 174 N -0.33 0.78 -0.21 1.19 -0.00 -1.97 -2.34 116.97 114.09 3a45 h TYR 174 Ca 0.05 -0.26 -0.03 0.00 -0.00 0.00 0.00 58.73 58.49 3a45 h TYR 174 Cb 0.39 -0.15 -0.01 0.00 -0.00 0.00 0.00 36.73 36.96 3a45 h TYR 174 CO -0.23 1.01 0.03 -0.07 -0.00 0.00 0.00 178.16 178.90 3a45 h LEU 175 N 0.49 0.34 0.01 0.10 3.38 -1.95 -0.73 115.31 116.95 3a45 h LEU 175 Ca 0.02 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.73 3a45 h LEU 175 Cb 1.06 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.72 3a45 h LEU 175 CO 0.10 0.51 -0.00 0.58 0.09 0.00 0.00 178.44 179.72 3a45 h VAL 176 N 0.15 1.04 0.23 1.22 2.07 -1.44 0.18 116.25 119.71 3a45 h VAL 176 Ca 0.06 -0.16 0.01 0.00 0.82 0.00 0.00 66.70 67.43 3a45 h VAL 176 Cb 0.32 1.15 -0.04 0.00 -1.52 0.00 0.00 31.29 31.20 3a45 h VAL 176 CO 0.00 0.04 -0.49 0.00 0.02 0.00 0.00 177.57 177.15 3a45 h ALA 177 N 0.91 -0.96 -0.53 1.67 0.00 -1.36 -1.30 119.26 117.68 3a45 h ALA 177 Ca -0.00 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 54.85 3a45 h ALA 177 Cb 0.08 0.79 -0.06 0.00 0.00 0.00 0.00 17.79 18.60 3a45 h ALA 177 CO 0.00 -1.10 0.23 0.93 0.00 0.00 0.00 179.25 179.30 3a45 h GLU 178 N -0.80 0.42 -0.17 0.00 4.39 -1.03 -2.42 114.58 114.97 3a45 h GLU 178 Ca -0.01 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.66 3a45 h GLU 178 Cb 0.77 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.32 3a45 h GLU 178 CO -0.21 0.28 0.10 0.82 -1.16 0.00 0.00 179.01 178.84 3a45 h ILE 179 N 0.43 1.07 -0.07 3.13 2.04 -0.35 -1.90 117.51 121.85 3a45 h ILE 179 Ca 0.25 -0.16 -0.04 0.00 1.00 0.00 0.00 64.86 65.91 3a45 h ILE 179 Cb 0.24 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 3a45 h ILE 179 CO -0.22 0.06 -0.15 -0.07 0.00 0.00 0.00 178.15 177.76 3a45 h LEU 180 N 0.20 0.11 0.06 1.44 3.38 -1.10 0.19 115.31 119.58 3a45 h LEU 180 Ca 0.06 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 3a45 h LEU 180 Cb 0.01 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3a45 h LEU 180 CO -0.01 0.28 -0.03 0.22 0.09 0.00 0.00 178.44 178.99 3a45 h TYR 181 N 0.11 -0.07 -0.59 1.13 3.20 -1.15 0.94 116.97 120.54 3a45 h TYR 181 Ca 0.02 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 61.95 3a45 h TYR 181 Cb 0.34 0.02 -0.05 0.00 1.54 0.00 0.00 36.73 38.58 3a45 h TYR 181 CO 0.00 0.27 0.30 0.00 -1.64 0.00 0.00 178.16 177.09 3a45 h ARG 182 N -0.42 0.55 0.00 1.82 2.47 -0.97 0.48 114.38 118.31 3a45 h ARG 182 Ca -0.01 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.68 3a45 h ARG 182 Cb 0.37 -0.12 0.00 0.00 -1.65 0.00 0.00 29.97 28.57 3a45 h ARG 182 CO 0.01 0.36 0.00 0.00 0.56 0.00 0.00 179.97 180.91 3a45 n ALA 183 N -2.36 2.06 -3.59 0.04 0.00 0.02 -4.90 120.51 111.79 3a45 n ALA 183 Ca 0.07 -0.09 -0.21 0.00 0.00 0.00 0.00 53.44 53.20 3a45 n ALA 183 Cb 0.17 -1.35 0.07 0.00 0.00 0.00 0.00 19.45 18.34 3a45 n ALA 183 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3a45 n LYS 184 N -1.36 -6.36 -5.13 0.00 5.02 0.16 -4.94 118.16 105.55 3a45 n LYS 184 Ca 0.08 0.76 -0.31 0.00 -2.02 0.00 0.00 58.31 56.82 3a45 n LYS 184 Cb 0.20 -5.65 -0.15 0.00 -0.02 0.00 0.00 35.03 29.40 3a45 n LYS 184 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3a45 s ILE 185 N -3.42 2.31 -0.14 -0.18 -1.09 0.02 -4.31 121.20 114.38 3a45 s ILE 185 Ca 0.20 -1.08 -0.29 0.00 -2.23 0.00 0.00 60.65 57.25 3a45 s ILE 185 Cb -0.09 -1.84 -0.01 0.00 -1.58 0.00 0.00 42.46 38.93 3a45 s ILE 185 CO 0.76 0.54 1.10 -0.62 -1.23 0.00 0.00 174.94 175.49 3a45 s ASP 186 N -0.77 7.11 0.64 3.58 2.15 -1.24 -4.61 116.67 123.53 3a45 s ASP 186 Ca 0.11 1.57 0.27 0.00 0.43 0.00 0.00 52.55 54.93 3a45 s ASP 186 Cb -0.10 -2.55 1.44 0.00 -0.30 0.00 0.00 42.92 41.41 3a45 s ASP 186 CO 0.00 -0.59 1.83 1.55 -0.17 0.00 0.00 175.17 177.78 3a45 h PRO 187 N 7.45 0.00 0.04 4.34 0.13 -1.94 0.06 132.00 142.09 3a45 h PRO 187 Ca -0.27 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.62 3a45 h PRO 187 Cb 1.12 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.23 3a45 h PRO 187 CO 0.92 0.00 -1.09 0.45 -0.23 0.00 0.00 178.00 178.04 3a45 h HIS 188 N 0.00 0.16 -1.60 1.56 3.86 -1.97 -3.02 115.15 114.14 3a45 h HIS 188 Ca 0.08 -0.12 -0.68 0.00 -1.16 0.00 0.00 60.37 58.49 3a45 h HIS 188 Cb 0.99 -0.01 0.07 0.00 1.06 0.00 0.00 27.41 29.53 3a45 h HIS 188 CO 0.00 1.09 0.16 1.17 0.86 0.00 0.00 177.93 181.21 3a45 n LYS 189 N -3.40 0.78 -2.43 2.45 4.81 0.01 -4.45 118.16 115.92 3a45 n LYS 189 Ca -0.03 0.28 -0.41 0.00 -0.87 0.00 0.00 58.31 57.28 3a45 n LYS 189 Cb 0.97 -1.74 -0.04 0.00 0.02 0.00 0.00 35.03 34.24 3a45 n LYS 189 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3a45 s LEU 190 N 0.77 4.48 0.27 3.14 1.02 -1.26 -1.17 118.68 125.92 3a45 s LEU 190 Ca 0.77 2.20 -0.01 0.00 0.02 0.00 0.00 54.13 57.12 3a45 s LEU 190 Cb -0.96 -3.61 0.54 0.00 0.02 0.00 0.00 46.19 42.17 3a45 s LEU 190 CO 0.53 -0.29 1.78 1.23 0.02 0.00 0.00 176.35 179.62 3a45 h GLY 191 N 4.91 1.43 1.82 -3.19 0.00 -0.08 0.34 103.07 108.30 3a45 h GLY 191 Ca -0.45 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 46.59 3a45 h GLY 191 CO 0.72 0.00 0.09 1.48 0.00 0.00 0.00 176.54 178.84 3a45 h SER 192 N 0.69 0.00 0.22 0.19 4.64 -1.47 -1.16 113.55 116.67 3a45 h SER 192 Ca 0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 3a45 h SER 192 Cb 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 3a45 h SER 192 CO -0.34 0.00 -0.49 0.59 -0.87 0.00 0.00 176.83 175.72 3a45 n ASN 193 N -3.01 1.06 -4.69 4.97 5.03 0.11 -4.87 115.26 113.85 3a45 n ASN 193 Ca -0.03 -0.84 -0.42 0.00 0.87 0.00 0.00 54.58 54.16 3a45 n ASN 193 Cb 0.15 0.38 -0.03 0.00 -1.02 0.00 0.00 39.78 39.26 3a45 n ASN 193 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3a45 s LEU 194 N -2.72 4.38 0.94 3.41 1.43 -0.44 -4.95 118.68 120.73 3a45 s LEU 194 Ca 0.17 2.62 -0.11 0.00 -1.03 0.00 0.00 54.13 55.77 3a45 s LEU 194 Cb 0.18 -3.57 0.09 0.00 0.03 0.00 0.00 46.19 42.92 3a45 s LEU 194 CO 0.64 -0.93 0.75 0.35 0.23 0.00 0.00 176.35 177.40 3a45 n THR 195 N 4.60 0.00 0.11 5.49 -2.24 -1.26 -4.78 114.28 116.20 3a45 n THR 195 Ca 0.16 -0.10 0.04 0.00 -2.27 0.00 0.00 64.05 61.88 3a45 n THR 195 Cb 0.39 -0.80 0.46 0.00 -2.10 0.00 0.00 70.33 68.28 3a45 n THR 195 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 3a45 h ASP 196 N -1.73 0.27 0.88 3.42 3.58 -2.00 -2.34 116.42 118.50 3a45 h ASP 196 Ca -0.43 -0.02 -0.23 0.00 0.42 0.00 0.00 57.03 56.76 3a45 h ASP 196 Cb 1.28 -0.07 -0.03 0.00 1.72 0.00 0.00 39.33 42.23 3a45 h ASP 196 CO 0.37 0.28 -1.13 -0.61 -2.88 0.00 0.00 179.24 175.27 3a45 h GLN 197 N 0.30 0.04 -0.23 0.28 -0.00 -2.00 -3.27 115.11 110.23 3a45 h GLN 197 Ca 0.07 -0.07 -0.01 0.00 -0.00 0.00 0.00 58.65 58.64 3a45 h GLN 197 Cb 0.12 0.03 -0.01 0.00 0.00 0.00 0.00 27.48 27.62 3a45 h GLN 197 CO -0.00 0.98 0.11 0.93 0.00 0.00 0.00 178.83 180.84 3a45 h GLU 198 N 0.01 0.34 -0.93 1.69 5.08 -1.76 0.13 114.58 119.15 3a45 h GLU 198 Ca -0.07 -0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.28 3a45 h GLU 198 Cb 1.83 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 30.97 3a45 h GLU 198 CO 0.13 0.36 0.61 -0.84 -1.00 0.00 0.00 179.01 178.28 3a45 h ILE 199 N 0.24 1.15 -0.81 3.13 -0.00 -1.64 0.82 117.51 120.40 3a45 h ILE 199 Ca 0.08 -0.40 -0.04 0.00 -0.00 0.00 0.00 64.86 64.50 3a45 h ILE 199 Cb 0.14 -0.11 -0.04 0.00 -0.00 0.00 0.00 36.82 36.81 3a45 h ILE 199 CO -0.01 0.21 0.34 -0.08 -0.00 0.00 0.00 178.15 178.61 3a45 h GLU 200 N 1.16 1.19 -0.17 0.16 4.81 -1.48 -0.18 114.58 120.07 3a45 h GLU 200 Ca 0.37 -0.20 -0.11 0.00 -0.13 0.00 0.00 59.36 59.29 3a45 h GLU 200 Cb 0.03 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.21 3a45 h GLU 200 CO -0.12 0.95 -0.31 -0.97 -0.73 0.00 0.00 179.01 177.83 3a45 h ASN 201 N 1.16 0.56 -0.91 1.04 -1.24 0.13 -3.07 115.58 113.26 3a45 h ASN 201 Ca 0.27 -0.54 0.03 0.00 0.71 0.00 0.00 56.30 56.77 3a45 h ASN 201 Cb 0.19 -0.16 -0.05 0.00 0.73 0.00 0.00 38.32 39.02 3a45 h ASN 201 CO -0.03 1.00 0.59 0.25 -1.29 0.00 0.00 177.43 177.96 3a45 h LEU 202 N 0.15 0.99 -1.48 0.34 5.85 0.89 -0.89 115.31 121.15 3a45 h LEU 202 Ca 0.01 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.77 3a45 h LEU 202 Cb 0.90 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.66 3a45 h LEU 202 CO 0.07 0.69 0.41 -0.25 -0.34 0.00 0.00 178.44 179.02 3a45 h TRP 203 N 1.16 0.64 -0.02 1.25 -0.00 -1.01 0.13 115.95 118.09 3a45 h TRP 203 Ca 0.35 0.02 -0.00 0.00 -0.00 0.00 0.00 58.89 59.26 3a45 h TRP 203 Cb -0.03 -0.21 -0.00 0.00 -0.00 0.00 0.00 29.16 28.92 3a45 h TRP 203 CO -0.01 0.35 0.01 -0.92 -0.00 0.00 0.00 178.44 177.86 3a45 h TYR 204 N 0.64 0.04 0.00 2.65 3.20 -1.08 -2.40 116.97 120.01 3a45 h TYR 204 Ca 0.27 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 62.06 3a45 h TYR 204 Cb 0.24 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.49 3a45 h TYR 204 CO -0.00 0.26 -0.36 -1.49 -1.64 0.00 0.00 178.16 174.93 3a45 h TRP 205 N -0.19 0.00 -0.33 -3.82 4.06 -1.01 0.11 115.95 114.76 3a45 h TRP 205 Ca 0.01 0.00 -0.05 0.00 2.06 0.00 0.00 58.89 60.91 3a45 h TRP 205 Cb 0.24 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.39 3a45 h TRP 205 CO 0.00 0.36 0.03 0.82 -3.56 0.00 0.00 178.44 176.09 3a45 h ILE 206 N 0.00 1.25 -0.29 1.49 1.08 -0.69 0.97 117.51 121.32 3a45 h ILE 206 Ca -0.00 -0.90 -0.06 0.00 -0.39 0.00 0.00 64.86 63.51 3a45 h ILE 206 Cb 0.90 1.19 -0.01 0.00 -3.07 0.00 0.00 36.82 35.83 3a45 h ILE 206 CO 0.05 0.30 -0.06 0.11 -0.69 0.00 0.00 178.15 177.85 3a45 h LYS 207 N 0.38 0.56 0.34 2.37 1.57 -1.22 -2.19 116.57 118.38 3a45 h LYS 207 Ca 0.10 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 3a45 h LYS 207 Cb 0.40 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 3a45 h LYS 207 CO 0.01 0.75 -0.28 -0.92 -0.57 0.00 0.00 179.45 178.44 3a45 h TYR 208 N 0.32 -0.74 -0.47 -1.35 3.20 -0.85 -2.47 116.97 114.61 3a45 h TYR 208 Ca 0.07 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.86 3a45 h TYR 208 Cb 0.54 0.28 -0.02 0.00 1.54 0.00 0.00 36.73 39.07 3a45 h TYR 208 CO 0.05 -0.41 -0.06 0.93 -1.64 0.00 0.00 178.16 177.02 3a45 h GLU 209 N -0.63 0.82 -0.45 1.82 4.39 -0.85 -1.97 114.58 117.71 3a45 h GLU 209 Ca -0.03 -0.25 -0.13 0.00 0.34 0.00 0.00 59.36 59.29 3a45 h GLU 209 Cb 0.56 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.11 3a45 h GLU 209 CO -0.02 0.86 -0.23 1.79 -1.16 0.00 0.00 179.01 180.25 3a45 h THR 210 N 0.75 1.27 -0.38 1.13 1.35 -1.40 -2.08 112.91 113.56 3a45 h THR 210 Ca 0.13 -1.39 -0.10 0.00 -0.55 0.00 0.00 66.41 64.50 3a45 h THR 210 Cb 0.54 1.17 -0.01 0.00 -1.73 0.00 0.00 68.15 68.12 3a45 h THR 210 CO 0.03 0.48 -0.16 0.50 -0.25 0.00 0.00 175.52 176.11 3a45 h LYS 211 N 0.81 0.78 -0.10 4.72 3.64 -1.36 -1.36 116.57 123.70 3a45 h LYS 211 Ca 0.10 -0.33 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 3a45 h LYS 211 Cb 0.80 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.59 3a45 h LYS 211 CO 0.07 0.95 0.06 1.25 -2.27 0.00 0.00 179.45 179.51 3a45 h LEU 212 N 0.58 0.11 -0.39 5.20 6.46 -1.29 0.25 115.31 126.23 3a45 h LEU 212 Ca 0.09 -0.01 0.03 0.00 -0.12 0.00 0.00 57.88 57.86 3a45 h LEU 212 Cb 0.71 -0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 40.58 3a45 h LEU 212 CO 0.05 0.09 0.20 0.00 -0.62 0.00 0.00 178.44 178.16 3a45 h ALA 213 N 1.03 0.48 -0.56 1.25 0.00 -1.34 -1.35 119.26 118.76 3a45 h ALA 213 Ca 0.04 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.96 3a45 h ALA 213 Cb -0.01 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3a45 h ALA 213 CO -0.01 -0.16 0.37 -0.92 0.00 0.00 0.00 179.25 178.53 3a45 h TYR 214 N 0.41 0.70 0.00 0.00 3.20 -0.89 -2.54 116.97 117.84 3a45 h TYR 214 Ca 0.16 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.05 3a45 h TYR 214 Cb 0.06 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.09 3a45 h TYR 214 CO -0.10 0.44 0.00 -0.25 -1.64 0.00 0.00 178.16 176.61 3a45 n ASP 215 N -4.70 0.59 -4.68 -2.11 8.00 0.04 -4.85 116.55 108.85 3a45 n ASP 215 Ca 0.04 0.59 -0.29 0.00 0.71 0.00 0.00 54.79 55.83 3a45 n ASP 215 Cb 0.03 -0.73 0.17 0.00 -0.02 0.00 0.00 41.12 40.56 3a45 n ASP 215 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3a45 s SER 216 N -4.11 2.85 -0.09 -2.24 0.01 -0.54 -5.01 113.70 104.57 3a45 s SER 216 Ca 0.09 1.38 0.02 0.00 1.31 0.00 0.00 55.95 58.75 3a45 s SER 216 Cb 0.12 -2.06 -0.07 0.00 0.21 0.00 0.00 66.02 64.22 3a45 s SER 216 CO 0.50 -3.02 -0.06 0.59 0.41 0.00 0.00 173.24 171.67 3a45 n ASN 217 N -4.12 3.26 -3.15 2.44 3.02 -1.26 -4.90 115.26 110.55 3a45 n ASN 217 Ca 0.06 -0.04 -0.22 0.00 -0.03 0.00 0.00 54.58 54.35 3a45 n ASN 217 Cb 0.56 0.02 -0.04 0.00 -0.61 0.00 0.00 39.78 39.70 3a45 n ASN 217 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3a45 n HIS 218 N -2.67 1.19 0.10 3.10 1.44 -1.26 -4.60 115.22 112.52 3a45 n HIS 218 Ca -0.16 -3.84 0.03 0.00 -2.01 0.00 0.00 57.72 51.74 3a45 n HIS 218 Cb 0.69 -0.43 0.40 0.00 0.12 0.00 0.00 29.99 30.77 3a45 n HIS 218 CO 0.00 0.00 0.00 0.82 -2.81 0.00 0.00 176.34 174.35 3a45 h ILE 219 N 1.77 1.16 0.00 0.61 1.08 -1.94 -3.47 117.51 116.73 3a45 h ILE 219 Ca 0.11 -0.64 0.00 0.00 -0.39 0.00 0.00 64.86 63.94 3a45 h ILE 219 Cb 0.83 1.07 0.00 0.00 -3.07 0.00 0.00 36.82 35.65 3a45 h ILE 219 CO 0.59 0.21 0.00 0.61 -0.69 0.00 0.00 178.15 178.87 3a45 n GLY 220 N -1.01 1.06 0.54 5.37 0.00 -1.26 -5.00 105.19 104.89 3a45 n GLY 220 Ca -0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 3a45 n GLY 220 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3a45 n TYR 221 N -0.60 0.37 -2.69 1.61 4.01 -1.26 -4.54 117.16 114.05 3a45 n TYR 221 Ca 0.00 -0.46 -0.07 0.00 -0.16 0.00 0.00 57.90 57.21 3a45 n TYR 221 Cb 0.00 -0.03 0.09 0.00 -0.31 0.00 0.00 39.34 39.10 3a45 n TYR 221 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3a45 n MET 222 N 0.39 1.20 -0.23 -0.72 0.00 -1.26 -4.58 117.12 111.92 3a45 n MET 222 Ca 0.10 -2.21 0.09 0.00 0.00 0.00 0.00 57.70 55.68 3a45 n MET 222 Cb 0.39 -0.37 0.36 0.00 0.00 0.00 0.00 33.22 33.59 3a45 n MET 222 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 175.97 175.58 3a45 h VAL 223 N 2.45 0.93 0.00 3.17 -1.51 -1.95 -1.48 116.25 117.86 3a45 h VAL 223 Ca -0.24 -0.26 0.00 0.00 -1.23 0.00 0.00 66.70 64.98 3a45 h VAL 223 Cb 1.27 0.12 0.00 0.00 -2.13 0.00 0.00 31.29 30.55 3a45 h VAL 223 CO 0.08 0.14 0.00 0.59 -1.23 0.00 0.00 177.57 177.15 3a45 n ASN 224 N -4.52 0.00 0.00 4.19 5.03 -1.26 -2.24 115.26 116.47 3a45 n ASN 224 Ca 0.14 -0.57 0.00 0.00 0.87 0.00 0.00 54.58 55.03 3a45 n ASN 224 Cb 0.34 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.10 3a45 n ASN 224 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 3a45 n LEU 225 N -0.77 0.17 -0.31 3.41 4.77 -0.58 -4.62 117.00 119.07 3a45 n LEU 225 Ca 0.05 -0.17 0.05 0.00 -0.03 0.00 0.00 56.01 55.91 3a45 n LEU 225 Cb 0.02 0.00 0.25 0.00 -2.33 0.00 0.00 43.42 41.36 3a45 n LEU 225 CO 0.04 0.04 1.25 -0.33 -1.33 0.00 0.00 177.39 177.06 3a45 h GLU 226 N 0.00 0.98 -0.28 3.23 5.08 -1.23 0.33 114.58 122.69 3a45 h GLU 226 Ca 0.00 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.20 3a45 h GLU 226 Cb 0.83 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 3a45 h GLU 226 CO 0.00 0.65 -0.25 -0.91 -1.00 0.00 0.00 179.01 177.50 3a45 h ASN 227 N 1.01 0.55 0.70 1.42 -0.26 -1.89 -2.93 115.58 114.18 3a45 h ASN 227 Ca 0.41 -0.19 -0.22 0.00 -0.56 0.00 0.00 56.30 55.74 3a45 h ASN 227 Cb 0.27 -0.15 -0.01 0.00 -1.06 0.00 0.00 38.32 37.37 3a45 h ASN 227 CO -0.17 0.79 -1.01 -0.08 -1.06 0.00 0.00 177.43 175.91 3a45 h GLU 228 N 0.48 0.16 0.00 0.81 4.57 -1.56 -3.22 114.58 115.83 3a45 h GLU 228 Ca 0.07 -0.23 -0.03 0.00 -1.18 0.00 0.00 59.36 57.99 3a45 h GLU 228 Cb 0.69 0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 29.35 3a45 h GLU 228 CO 0.05 1.04 -0.13 1.03 -1.18 0.00 0.00 179.01 179.82 3a45 h SER 229 N 0.07 0.00 0.20 1.04 0.87 -0.23 -1.38 113.55 114.12 3a45 h SER 229 Ca -0.06 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 3a45 h SER 229 Cb 1.70 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.66 3a45 h SER 229 CO 0.15 0.13 -0.19 -1.54 -0.53 0.00 0.00 176.83 174.86 3a45 n SER 230 N -4.08 1.05 -0.90 6.23 3.41 -1.14 -3.63 113.62 114.55 3a45 n SER 230 Ca -0.02 -0.98 0.08 0.00 -0.26 0.00 0.00 58.87 57.69 3a45 n SER 230 Cb 0.21 0.08 0.24 0.00 -0.26 0.00 0.00 64.21 64.49 3a45 n SER 230 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3a45 n LYS 231 N -0.52 3.05 -4.00 4.33 5.02 -0.53 -4.97 118.16 120.55 3a45 n LYS 231 Ca 0.14 -2.65 -0.08 0.00 -2.02 0.00 0.00 58.31 53.70 3a45 n LYS 231 Cb 0.34 -1.71 -0.10 0.00 -0.02 0.00 0.00 35.03 33.54 3a45 n LYS 231 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 3a45 s ILE 232 N -2.28 0.16 0.00 -0.18 2.07 -1.17 -5.06 121.20 114.74 3a45 s ILE 232 Ca 0.38 -1.34 0.00 0.00 -1.41 0.00 0.00 60.65 58.28 3a45 s ILE 232 Cb 0.28 -1.04 0.00 0.00 0.13 0.00 0.00 42.46 41.83 3a45 s ILE 232 CO 0.12 -0.74 0.00 0.61 -1.91 0.00 0.00 174.94 173.02 3a45 n GLY 233 N 0.62 -0.17 3.06 1.50 0.00 -1.26 -4.94 105.19 104.00 3a45 n GLY 233 Ca -0.18 -1.77 -0.17 0.00 0.00 0.00 0.00 46.02 43.90 3a45 n GLY 233 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3a45 s ARG 234 N -1.19 0.66 0.67 1.61 1.81 -1.26 -5.07 118.95 116.19 3a45 s ARG 234 Ca 0.00 -0.57 -0.14 0.00 -1.72 0.00 0.00 55.73 53.30 3a45 s ARG 234 Cb 0.00 -0.59 0.01 0.00 -0.45 0.00 0.00 34.95 33.92 3a45 s ARG 234 CO 0.00 0.14 1.10 0.15 -0.68 0.00 0.00 175.30 176.02 3a45 s LYS 235 N -0.92 2.77 -1.20 3.54 3.01 -1.26 -4.92 119.74 120.76 3a45 s LYS 235 Ca -0.02 1.34 -0.05 0.00 -1.01 0.00 0.00 55.97 56.23 3a45 s LYS 235 Cb -0.07 -1.95 0.11 0.00 -1.01 0.00 0.00 37.83 34.91 3a45 s LYS 235 CO 0.00 -1.27 2.45 -1.71 0.51 0.00 0.00 175.35 175.33 3a45 n ASN 236 N -2.56 7.84 -4.76 2.83 5.15 -1.26 -4.98 115.26 117.52 3a45 n ASN 236 Ca 0.10 -3.14 -0.35 0.00 -0.60 0.00 0.00 54.58 50.58 3a45 n ASN 236 Cb 0.52 -1.35 0.02 0.00 -0.53 0.00 0.00 39.78 38.45 3a45 n ASN 236 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 3a45 s TYR 237 N -1.20 2.49 -1.09 1.20 2.02 -1.26 -3.34 117.35 116.17 3a45 s TYR 237 Ca 0.55 1.53 -0.23 0.00 -0.37 0.00 0.00 57.07 58.54 3a45 s TYR 237 Cb 0.21 -3.40 0.03 0.00 -0.40 0.00 0.00 41.96 38.40 3a45 s TYR 237 CO -0.11 -1.98 0.67 0.72 -1.57 0.00 0.00 175.55 173.28 3a45 n HIS 238 N -1.54 -1.64 0.29 2.71 8.25 -1.26 -4.80 115.22 117.24 3a45 n HIS 238 Ca 0.13 0.33 0.18 0.00 -0.26 0.00 0.00 57.72 58.10 3a45 n HIS 238 Cb 0.50 -2.83 0.97 0.00 1.12 0.00 0.00 29.99 29.75 3a45 n HIS 238 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3a45 h PRO 239 N -1.86 0.00 -0.38 -0.41 0.13 -1.98 -2.68 132.00 124.83 3a45 h PRO 239 Ca -0.68 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.45 3a45 h PRO 239 Cb 1.40 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.53 3a45 h PRO 239 CO 0.47 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.33 3a45 n ASN 240 N -3.40 2.61 -4.40 1.44 5.03 -1.26 -4.84 115.26 110.44 3a45 n ASN 240 Ca -0.01 -1.91 -0.33 0.00 0.87 0.00 0.00 54.58 53.20 3a45 n ASN 240 Cb 0.22 -0.25 -0.14 0.00 -1.02 0.00 0.00 39.78 38.59 3a45 n ASN 240 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3a45 s ILE 241 N -1.51 3.03 -0.57 2.41 -1.09 -1.01 -5.08 121.20 117.38 3a45 s ILE 241 Ca 0.35 -0.69 0.05 0.00 -2.23 0.00 0.00 60.65 58.13 3a45 s ILE 241 Cb 0.19 -2.24 0.17 0.00 -1.58 0.00 0.00 42.46 39.00 3a45 s ILE 241 CO 0.26 0.55 0.44 1.41 -1.23 0.00 0.00 174.94 176.37 3a45 n HIS 242 N 3.15 1.38 -1.57 3.97 8.25 -1.26 -5.01 115.22 124.13 3a45 n HIS 242 Ca -0.18 -3.86 -0.43 0.00 -0.26 0.00 0.00 57.72 52.99 3a45 n HIS 242 Cb 0.53 -0.24 -0.00 0.00 1.12 0.00 0.00 29.99 31.40 3a45 n HIS 242 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 3a45 n PRO 243 N 2.27 1.20 0.05 -0.41 -0.02 -1.26 -4.89 135.00 131.95 3a45 n PRO 243 Ca 0.25 0.43 0.12 0.00 -2.02 0.00 0.00 63.50 62.27 3a45 n PRO 243 Cb 0.41 -1.84 0.09 0.00 -0.02 0.00 0.00 33.50 32.14 3a45 n PRO 243 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3a45 n THR 244 N -0.18 0.32 -2.65 3.45 -2.24 -1.26 -4.91 114.28 106.81 3a45 n THR 244 Ca 0.10 -0.31 -0.33 0.00 -2.27 0.00 0.00 64.05 61.25 3a45 n THR 244 Cb 0.35 -0.04 -0.05 0.00 -2.10 0.00 0.00 70.33 68.49 3a45 n THR 244 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3a45 s GLU 245 N -3.21 4.08 0.02 -0.78 8.01 -1.26 -4.98 118.70 120.59 3a45 s GLU 245 Ca 0.04 1.10 0.23 0.00 0.01 0.00 0.00 54.97 56.35 3a45 s GLU 245 Cb 0.13 -2.16 0.04 0.00 -4.31 0.00 0.00 34.13 27.84 3a45 s GLU 245 CO 0.76 -0.16 1.04 0.36 0.01 0.00 0.00 175.26 177.28 3a45 n LYS 246 N -0.98 0.17 -3.72 1.61 -0.00 -1.26 -4.91 118.16 109.06 3a45 n LYS 246 Ca 0.07 -0.01 -0.13 0.00 -0.00 0.00 0.00 58.31 58.24 3a45 n LYS 246 Cb 0.54 -1.54 -0.10 0.00 -0.00 0.00 0.00 35.03 33.92 3a45 n LYS 246 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 3a45 s GLU 247 N -3.12 0.48 0.40 -1.58 2.56 -1.26 -4.79 118.70 111.39 3a45 s GLU 247 Ca 0.06 0.63 -0.26 0.00 0.00 0.00 0.00 54.97 55.39 3a45 s GLU 247 Cb 0.15 0.20 -0.10 0.00 2.00 0.00 0.00 34.13 36.38 3a45 s GLU 247 CO 0.81 -0.08 1.30 0.34 -0.56 0.00 0.00 175.26 177.08 3a45 n PHE 248 N 3.08 2.28 -3.82 5.30 7.35 -1.26 -5.00 117.46 125.39 3a45 n PHE 248 Ca -0.15 0.51 -0.22 0.00 -0.76 0.00 0.00 57.45 56.83 3a45 n PHE 248 Cb 0.57 -2.41 -0.17 0.00 0.35 0.00 0.00 39.48 37.82 3a45 n PHE 248 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 3a45 s ASP 249 N -0.43 1.32 -0.17 -2.13 -0.00 -1.26 -5.00 116.67 109.00 3a45 s ASP 249 Ca 0.59 -0.06 -0.29 0.00 -0.00 0.00 0.00 52.55 52.79 3a45 s ASP 249 Cb -0.52 -0.38 -0.04 0.00 -0.00 0.00 0.00 42.92 41.99 3a45 s ASP 249 CO 0.60 -0.18 1.77 -0.36 -0.00 0.00 0.00 175.17 177.00 3a45 s PHE 250 N 1.77 1.82 -0.16 4.23 0.08 -1.26 -4.85 117.98 119.61 3a45 s PHE 250 Ca 0.02 0.37 0.18 0.00 0.12 0.00 0.00 56.93 57.62 3a45 s PHE 250 Cb -0.13 -4.01 -0.09 0.00 -0.57 0.00 0.00 43.02 38.22 3a45 s PHE 250 CO -0.04 -3.57 0.89 1.28 -0.10 0.00 0.00 175.22 173.68 3a45 n LEU 251 N 8.79 0.86 0.00 -0.37 4.77 -1.26 -4.74 117.00 125.06 3a45 n LEU 251 Ca 0.21 0.37 0.00 0.00 -0.03 0.00 0.00 56.01 56.55 3a45 n LEU 251 Cb 0.44 0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 3a45 n LEU 251 CO 0.65 0.04 0.00 1.33 -1.33 0.00 0.00 177.39 178.09 3a45 n VAL 252 N -2.83 0.00 -1.69 4.08 0.24 -1.26 -4.20 118.33 112.67 3a45 n VAL 252 Ca -0.07 0.00 -0.56 0.00 -2.04 0.00 0.00 64.34 61.67 3a45 n VAL 252 Cb 0.75 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 33.05 3a45 n VAL 252 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3a45 n TYR 253 N -1.29 2.07 -2.93 6.34 4.19 -1.26 0.73 117.16 125.01 3a45 n TYR 253 Ca 0.00 0.45 -0.21 0.00 3.31 0.00 0.00 57.90 61.45 3a45 n TYR 253 Cb 0.00 -2.49 0.03 0.00 0.49 0.00 0.00 39.34 37.37 3a45 n TYR 253 CO 0.00 0.00 0.00 0.54 0.91 0.00 0.00 176.86 178.31 3a45 n ARG 254 N 5.73 -4.40 -4.44 2.98 5.12 -1.26 -4.90 116.66 115.50 3a45 n ARG 254 Ca 0.27 0.85 -0.26 0.00 -1.93 0.00 0.00 57.85 56.78 3a45 n ARG 254 Cb 0.15 -5.55 -0.11 0.00 -1.16 0.00 0.00 32.46 25.79 3a45 n ARG 254 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3a45 s LYS 255 N -5.58 1.56 -0.02 5.56 -0.14 0.22 -5.05 119.74 116.30 3a45 s LYS 255 Ca 0.27 -1.60 -0.07 0.00 -1.36 0.00 0.00 55.97 53.21 3a45 s LYS 255 Cb -0.12 -1.82 -0.04 0.00 -1.68 0.00 0.00 37.83 34.18 3a45 s LYS 255 CO 0.33 0.38 0.49 0.87 -0.76 0.00 0.00 175.35 176.66 3a45 h LYS 256 N 2.93 -0.23 -4.62 1.68 6.56 -1.86 -3.43 116.57 117.60 3a45 h LYS 256 Ca -0.44 0.02 -0.24 0.00 -1.06 0.00 0.00 60.65 58.93 3a45 h LYS 256 Cb 1.22 0.05 -0.15 0.00 -0.57 0.00 0.00 32.23 32.79 3a45 h LYS 256 CO 0.51 -0.15 -0.66 0.15 -2.06 0.00 0.00 179.45 177.24 3a45 s LYS 257 N -2.45 0.99 1.09 3.15 1.02 -1.26 -1.63 119.74 120.66 3a45 s LYS 257 Ca -0.03 -1.47 -0.18 0.00 0.02 0.00 0.00 55.97 54.30 3a45 s LYS 257 Cb 0.00 -0.05 0.26 0.00 -0.52 0.00 0.00 37.83 37.52 3a45 s LYS 257 CO 0.10 -0.17 1.26 -0.40 -0.92 0.00 0.00 175.35 175.23 3a45 n ASP 258 N -0.15 -0.74 0.31 2.83 3.85 -0.54 -4.82 116.55 117.28 3a45 n ASP 258 Ca -0.07 -1.37 0.18 0.00 -0.71 0.00 0.00 54.79 52.82 3a45 n ASP 258 Cb 0.63 -1.03 0.98 0.00 -1.35 0.00 0.00 41.12 40.35 3a45 n ASP 258 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.20 175.54 3a45 h PRO 259 N 0.00 0.00 0.00 0.11 0.11 -1.93 -1.63 132.00 128.66 3a45 h PRO 259 Ca -0.43 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.52 3a45 h PRO 259 Cb 1.23 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.31 3a45 h PRO 259 CO 0.30 0.00 -1.77 0.09 -0.21 0.00 0.00 178.00 176.40 3a45 n ASN 260 N -2.86 0.42 0.00 -2.05 3.02 -1.26 -4.98 115.26 107.55 3a45 n ASN 260 Ca -0.02 0.18 0.00 0.00 -0.03 0.00 0.00 54.58 54.71 3a45 n ASN 260 Cb 0.17 0.88 0.00 0.00 -0.61 0.00 0.00 39.78 40.22 3a45 n ASN 260 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3a45 n GLY 261 N 1.43 1.16 3.74 7.41 0.00 -0.61 -5.10 105.19 113.21 3a45 n GLY 261 Ca -0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 3a45 n GLY 261 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3a45 s ASN 262 N -0.98 6.89 0.15 1.61 0.02 -1.26 -4.70 114.94 116.66 3a45 s ASN 262 Ca 0.00 2.41 -0.31 0.00 -1.02 0.00 0.00 52.86 53.94 3a45 s ASN 262 Cb 0.00 -2.61 -0.11 0.00 0.02 0.00 0.00 41.25 38.55 3a45 s ASN 262 CO 0.00 -0.53 1.75 -0.75 0.02 0.00 0.00 177.10 177.59 3a45 s LYS 263 N -0.17 4.15 -0.24 -0.60 2.20 -1.26 -1.47 119.74 122.34 3a45 s LYS 263 Ca 0.56 2.55 -0.07 0.00 -0.36 0.00 0.00 55.97 58.65 3a45 s LYS 263 Cb -0.37 -3.38 -0.03 0.00 -1.51 0.00 0.00 37.83 32.54 3a45 s LYS 263 CO 0.39 -0.78 0.05 0.08 -0.36 0.00 0.00 175.35 174.73 3a45 s VAL 264 N 2.07 4.19 0.02 4.02 1.01 -0.64 -3.85 120.40 127.21 3a45 s VAL 264 Ca 0.77 -0.21 -0.01 0.00 0.00 0.00 0.00 61.98 62.53 3a45 s VAL 264 Cb -0.46 -2.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.92 3a45 s VAL 264 CO 0.34 0.35 0.18 0.27 0.00 0.00 0.00 175.10 176.24 3a45 s ILE 265 N 1.57 5.30 -0.97 2.22 -4.36 -0.37 -4.77 121.20 119.82 3a45 s ILE 265 Ca 0.06 -0.30 -0.15 0.00 -0.26 0.00 0.00 60.65 60.00 3a45 s ILE 265 Cb -0.15 -3.51 0.19 0.00 1.25 0.00 0.00 42.46 40.23 3a45 s ILE 265 CO 0.03 0.25 1.05 0.00 0.24 0.00 0.00 174.94 176.52 3a45 s ALA 266 N -1.38 3.90 -0.19 2.27 0.00 -1.26 -2.60 121.76 122.50 3a45 s ALA 266 Ca 0.30 -3.20 -0.21 0.00 0.00 0.00 0.00 51.96 48.85 3a45 s ALA 266 Cb -0.13 -3.82 -0.03 0.00 0.00 0.00 0.00 23.12 19.15 3a45 s ALA 266 CO 0.22 -2.61 0.63 0.34 0.00 0.00 0.00 175.76 174.34 3a45 s ASP 267 N 2.70 6.71 -1.19 0.00 -1.08 0.36 -4.85 116.67 119.32 3a45 s ASP 267 Ca 0.29 0.87 -0.12 0.00 -0.52 0.00 0.00 52.55 53.07 3a45 s ASP 267 Cb -0.07 -2.35 0.20 0.00 -1.46 0.00 0.00 42.92 39.24 3a45 s ASP 267 CO -0.08 -0.26 1.38 0.29 0.52 0.00 0.00 175.17 177.02 3a45 n LYS 268 N 4.92 3.46 -0.06 4.34 4.01 -1.26 -0.93 118.16 132.65 3a45 n LYS 268 Ca -0.01 -4.02 -0.01 0.00 -0.51 0.00 0.00 58.31 53.75 3a45 n LYS 268 Cb 0.50 -2.88 -0.00 0.00 -0.51 0.00 0.00 35.03 32.13 3a45 n LYS 268 CO 0.00 0.00 0.00 0.82 -1.11 0.00 0.00 177.40 177.11 3a45 h ILE 269 N 4.28 0.00 -3.42 -0.18 2.04 -1.93 -3.47 117.51 114.83 3a45 h ILE 269 Ca 0.28 -1.00 -0.54 0.00 1.00 0.00 0.00 64.86 64.60 3a45 h ILE 269 Cb 0.85 0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 3a45 h ILE 269 CO 1.21 0.00 -0.06 -0.51 0.00 0.00 0.00 178.15 178.79 3a45 s ILE 270 N -1.75 4.84 0.00 -0.67 2.07 -1.26 -4.90 121.20 119.52 3a45 s ILE 270 Ca -0.04 0.77 0.00 0.00 -1.41 0.00 0.00 60.65 59.97 3a45 s ILE 270 Cb 0.01 -3.70 0.00 0.00 0.13 0.00 0.00 42.46 38.90 3a45 s ILE 270 CO 0.06 0.10 0.00 0.61 -1.91 0.00 0.00 174.94 173.81 3a45 n GLY 271 N 0.39 -0.15 3.73 1.50 0.00 -1.26 -0.02 105.19 109.38 3a45 n GLY 271 Ca -0.02 -1.05 -0.23 0.00 0.00 0.00 0.00 46.02 44.71 3a45 n GLY 271 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3a45 s SER 272 N 0.00 5.02 0.00 1.61 0.01 -1.26 -4.38 113.70 114.70 3a45 s SER 272 Ca 0.00 -0.42 0.00 0.00 1.31 0.00 0.00 55.95 56.84 3a45 s SER 272 Cb 0.00 -1.13 0.00 0.00 0.21 0.00 0.00 66.02 65.10 3a45 s SER 272 CO 0.00 0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.27 3a45 n GLY 273 N -0.81 0.31 3.41 3.44 0.00 -1.26 -4.27 105.19 106.00 3a45 n GLY 273 Ca -0.08 0.75 -0.10 0.00 0.00 0.00 0.00 46.02 46.60 3a45 n GLY 273 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3a45 s LYS 274 N 0.00 1.30 0.00 1.61 -2.85 -1.26 -4.75 119.74 113.79 3a45 s LYS 274 Ca 0.00 -1.25 0.00 0.00 -1.00 0.00 0.00 55.97 53.72 3a45 s LYS 274 Cb 0.00 0.40 0.00 0.00 -2.06 0.00 0.00 37.83 36.17 3a45 s LYS 274 CO 0.00 -0.50 0.00 0.27 0.10 0.00 0.00 175.35 175.22 3a45 n ASN 275 N -0.28 -1.34 -4.67 0.03 6.94 -1.26 -4.97 115.26 109.70 3a45 n ASN 275 Ca -0.04 0.00 -0.42 0.00 -0.02 0.00 0.00 54.58 54.09 3a45 n ASN 275 Cb 0.63 -0.22 -0.03 0.00 -2.36 0.00 0.00 39.78 37.80 3a45 n ASN 275 CO 0.00 0.00 0.00 -1.59 -1.03 0.00 0.00 177.26 174.64 3a45 s LYS 276 N -0.13 4.24 0.36 -3.83 0.00 -1.26 -4.67 119.74 114.46 3a45 s LYS 276 Ca 0.00 1.99 -0.25 0.00 0.00 0.00 0.00 55.97 57.71 3a45 s LYS 276 Cb 0.00 -3.74 -0.09 0.00 0.00 0.00 0.00 37.83 34.00 3a45 s LYS 276 CO 0.00 -0.69 1.04 1.03 0.00 0.00 0.00 175.35 176.73 3a45 s ARG 277 N 3.11 4.33 -0.50 1.78 3.00 0.97 -4.90 118.95 126.74 3a45 s ARG 277 Ca 0.65 1.52 -0.07 0.00 0.00 0.00 0.00 55.73 57.83 3a45 s ARG 277 Cb -0.30 -2.70 0.13 0.00 0.00 0.00 0.00 34.95 32.08 3a45 s ARG 277 CO 0.25 0.00 0.35 0.99 0.00 0.00 0.00 175.30 176.90 3a45 s THR 278 N -1.57 4.04 0.33 0.02 2.01 -1.26 -4.11 115.64 115.10 3a45 s THR 278 Ca 0.54 -2.02 -0.20 0.00 0.31 0.00 0.00 61.69 60.32 3a45 s THR 278 Cb -0.23 -3.67 -0.10 0.00 0.01 0.00 0.00 72.50 68.52 3a45 s THR 278 CO 0.29 -0.79 0.84 -0.89 -0.69 0.00 0.00 174.62 173.38 3a45 s THR 279 N 1.08 4.47 -0.07 -0.82 2.01 -0.11 -4.89 115.64 117.31 3a45 s THR 279 Ca 0.08 1.36 0.04 0.00 0.31 0.00 0.00 61.69 63.49 3a45 s THR 279 Cb -0.24 -3.75 -0.00 0.00 0.01 0.00 0.00 72.50 68.52 3a45 s THR 279 CO -0.02 -0.06 -0.21 -0.31 -0.69 0.00 0.00 174.62 173.32 3a45 s TYR 280 N -1.85 2.22 -0.03 4.92 2.02 -1.26 -0.49 117.35 122.89 3a45 s TYR 280 Ca 0.53 -0.79 -0.30 0.00 -0.37 0.00 0.00 57.07 56.15 3a45 s TYR 280 Cb -0.13 -1.49 0.08 0.00 -0.40 0.00 0.00 41.96 40.01 3a45 s TYR 280 CO 0.18 -0.30 0.71 1.67 -1.57 0.00 0.00 175.55 176.25 3a45 s TRP 281 N 0.18 -0.60 -0.38 2.71 1.48 -1.07 -4.76 118.94 116.51 3a45 s TRP 281 Ca -0.11 0.92 -0.11 0.00 -1.06 0.00 0.00 56.10 55.73 3a45 s TRP 281 Cb -0.15 0.44 0.03 0.00 -1.16 0.00 0.00 33.47 32.63 3a45 s TRP 281 CO 0.06 -0.61 0.21 0.00 -4.06 0.00 0.00 176.95 172.54 3a45 s ALA 282 N -1.65 3.27 0.40 2.67 0.00 -1.26 -1.23 121.76 123.96 3a45 s ALA 282 Ca -0.07 -1.76 0.16 0.00 0.00 0.00 0.00 51.96 50.28 3a45 s ALA 282 Cb -0.00 -2.60 1.03 0.00 0.00 0.00 0.00 23.12 21.55 3a45 s ALA 282 CO 0.05 -1.42 1.83 -1.35 0.00 0.00 0.00 175.76 174.87 3a45 h PRO 283 N 8.43 0.45 -0.79 0.00 0.11 -1.86 0.41 132.00 138.75 3a45 h PRO 283 Ca -0.25 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.82 3a45 h PRO 283 Cb 1.10 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 32.07 3a45 h PRO 283 CO 0.68 0.30 0.45 0.00 -0.21 0.00 0.00 178.00 179.21 3a45 h ALA 284 N 1.61 1.02 0.04 -0.75 0.00 -1.94 -3.29 119.26 115.95 3a45 h ALA 284 Ca 0.50 -0.11 -0.35 0.00 0.00 0.00 0.00 54.91 54.95 3a45 h ALA 284 Cb 1.17 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.59 3a45 h ALA 284 CO -0.22 0.51 -2.05 1.51 0.00 0.00 0.00 179.25 179.01 3a45 n ILE 285 N -4.44 1.61 -2.85 0.00 0.13 -0.81 -4.63 119.36 108.38 3a45 n ILE 285 Ca 0.08 -0.73 -0.43 0.00 -1.10 0.00 0.00 62.75 60.57 3a45 n ILE 285 Cb 0.08 -1.23 0.01 0.00 -0.84 0.00 0.00 39.64 37.66 3a45 n ILE 285 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3a45 n GLN 286 N -3.17 4.29 -3.19 9.51 6.02 0.07 -4.76 117.38 126.15 3a45 n GLN 286 Ca -0.29 -4.32 -0.39 0.00 -0.01 0.00 0.00 57.00 51.99 3a45 n GLN 286 Cb 1.06 -2.61 -0.06 0.00 1.02 0.00 0.00 30.24 29.66 3a45 n GLN 286 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 3a45 s LYS 287 N -2.08 4.32 0.00 -1.09 2.20 -1.26 -3.63 119.74 118.21 3a45 s LYS 287 Ca 0.33 0.76 -0.03 0.00 -0.36 0.00 0.00 55.97 56.67 3a45 s LYS 287 Cb 0.06 -3.33 -0.14 0.00 -1.51 0.00 0.00 37.83 32.91 3a45 s LYS 287 CO 0.08 0.39 2.55 1.47 -0.36 0.00 0.00 175.35 179.49 3a45 n LEU 288 N 2.63 4.38 0.00 5.43 -0.00 -1.26 -4.33 117.00 123.86 3a45 n LEU 288 Ca -0.07 -2.45 0.00 0.00 -0.00 0.00 0.00 56.01 53.49 3a45 n LEU 288 Cb 0.51 -1.09 0.00 0.00 -0.00 0.00 0.00 43.42 42.84 3a45 n LEU 288 CO 0.44 1.14 0.00 1.21 -0.00 0.00 0.00 177.39 180.18