#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a42 s GLU 3 N 0.00 2.23 0.10 -0.52 2.02 -1.26 -4.76 118.70 116.51 3a42 s GLU 3 Ca 0.00 -2.14 -0.18 0.00 0.02 0.00 0.00 54.97 52.67 3a42 s GLU 3 Cb 0.00 -1.97 -0.02 0.00 0.10 0.00 0.00 34.13 32.23 3a42 s GLU 3 CO 0.00 -0.62 0.93 0.41 0.02 0.00 0.00 175.26 176.00 3a42 n GLY 4 N -1.71 -1.54 0.28 -1.39 0.00 0.51 -1.25 105.19 100.10 3a42 n GLY 4 Ca -0.06 0.72 0.04 0.00 0.00 0.00 0.00 46.02 46.72 3a42 n GLY 4 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3a42 h PRO 5 N 0.00 0.55 -0.43 1.61 0.11 -1.87 -2.06 132.00 129.90 3a42 h PRO 5 Ca 0.11 -0.03 -0.15 0.00 0.11 0.00 0.00 66.00 66.04 3a42 h PRO 5 Cb 0.26 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.24 3a42 h PRO 5 CO -0.57 0.36 -0.31 0.93 -0.21 0.00 0.00 178.00 178.20 3a42 h GLU 6 N 0.56 0.96 -0.55 1.05 5.08 -1.50 -1.99 114.58 118.20 3a42 h GLU 6 Ca 0.41 -0.46 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 3a42 h GLU 6 Cb 0.54 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.76 3a42 h GLU 6 CO -0.34 1.13 0.27 0.28 -1.00 0.00 0.00 179.01 179.34 3a42 h VAL 7 N 0.81 1.20 -0.62 3.13 2.07 -1.15 0.34 116.25 122.03 3a42 h VAL 7 Ca 0.08 -0.57 -0.05 0.00 0.82 0.00 0.00 66.70 66.98 3a42 h VAL 7 Cb 0.90 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 3a42 h VAL 7 CO 0.08 0.23 0.19 0.00 0.02 0.00 0.00 177.57 178.09 3a42 h ALA 8 N 1.10 0.81 -0.19 1.67 0.00 -1.28 -0.79 119.26 120.58 3a42 h ALA 8 Ca 0.19 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 3a42 h ALA 8 Cb 0.12 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3a42 h ALA 8 CO -0.02 0.48 -0.32 1.25 0.00 0.00 0.00 179.25 180.64 3a42 h LEU 9 N 0.89 0.39 -0.51 0.00 5.85 -1.14 -1.52 115.31 119.28 3a42 h LEU 9 Ca 0.20 -0.15 -0.11 0.00 0.84 0.00 0.00 57.88 58.66 3a42 h LEU 9 Cb 0.29 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 3a42 h LEU 9 CO -0.01 0.70 -0.11 0.74 -0.34 0.00 0.00 178.44 179.42 3a42 h THR 10 N 0.33 1.27 -0.63 1.05 2.02 -0.56 -1.91 112.91 114.48 3a42 h THR 10 Ca 0.04 -1.25 -0.01 0.00 0.77 0.00 0.00 66.41 65.96 3a42 h THR 10 Cb 0.74 1.03 -0.03 0.00 -1.74 0.00 0.00 68.15 68.15 3a42 h THR 10 CO 0.06 0.44 0.35 0.00 0.37 0.00 0.00 175.52 176.73 3a42 h ALA 11 N 0.90 0.81 -0.28 6.16 0.00 -0.86 0.37 119.26 126.35 3a42 h ALA 11 Ca 0.13 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.98 3a42 h ALA 11 Cb 0.67 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 3a42 h ALA 11 CO 0.05 0.32 0.00 -0.44 0.00 0.00 0.00 179.25 179.18 3a42 h ASP 12 N 0.86 -0.11 -0.57 0.00 5.19 -1.04 0.15 116.42 120.91 3a42 h ASP 12 Ca 0.22 0.06 -0.10 0.00 -0.62 0.00 0.00 57.03 56.59 3a42 h ASP 12 Cb 0.04 0.11 -0.02 0.00 0.18 0.00 0.00 39.33 39.64 3a42 h ASP 12 CO -0.04 -0.02 -0.05 0.40 -3.12 0.00 0.00 179.24 176.41 3a42 h ILE 13 N 0.09 1.27 -0.44 0.35 2.04 -0.92 -1.38 117.51 118.52 3a42 h ILE 13 Ca 0.13 -1.20 0.01 0.00 1.00 0.00 0.00 64.86 64.80 3a42 h ILE 13 Cb 0.17 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 3a42 h ILE 13 CO -0.22 0.43 0.29 -0.07 0.00 0.00 0.00 178.15 178.57 3a42 h LEU 14 N 0.92 0.49 -0.20 1.44 4.07 0.38 -2.51 115.31 119.90 3a42 h LEU 14 Ca 0.15 -0.01 -0.01 0.00 0.08 0.00 0.00 57.88 58.09 3a42 h LEU 14 Cb 0.61 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 42.22 3a42 h LEU 14 CO 0.04 0.36 0.08 -0.33 -1.08 0.00 0.00 178.44 177.50 3a42 h GLU 15 N 0.58 0.31 -0.89 1.13 5.08 -0.55 0.21 114.58 120.45 3a42 h GLU 15 Ca 0.16 -0.06 0.24 0.00 -1.00 0.00 0.00 59.36 58.70 3a42 h GLU 15 Cb -0.06 -0.05 -0.14 0.00 0.50 0.00 0.00 28.75 29.00 3a42 h GLU 15 CO -0.04 0.38 0.25 -0.22 -1.00 0.00 0.00 179.01 178.38 3a42 h LYS 16 N 0.17 0.20 0.00 2.33 3.64 -0.88 0.23 116.57 122.26 3a42 h LYS 16 Ca 0.07 -0.01 -0.24 0.00 -1.27 0.00 0.00 60.65 59.19 3a42 h LYS 16 Cb 0.19 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 31.92 3a42 h LYS 16 CO -0.00 0.13 -2.13 0.66 -2.27 0.00 0.00 179.45 175.83 3a42 n TYR 17 N -5.23 0.17 0.31 1.91 4.01 -0.98 -4.68 117.16 112.67 3a42 n TYR 17 Ca 0.22 0.06 0.03 0.00 -0.16 0.00 0.00 57.90 58.05 3a42 n TYR 17 Cb 0.71 -0.89 -0.04 0.00 -0.31 0.00 0.00 39.34 38.81 3a42 n TYR 17 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3a42 n PHE 18 N -2.65 0.00 -2.01 -0.72 3.72 0.71 -4.85 117.46 111.66 3a42 n PHE 18 Ca -0.22 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.76 3a42 n PHE 18 Cb 0.96 -0.02 -0.03 0.00 -0.94 0.00 0.00 39.48 39.45 3a42 n PHE 18 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 3a42 s LYS 19 N -1.78 4.25 0.00 -1.08 2.20 0.79 -1.52 119.74 122.60 3a42 s LYS 19 Ca 0.02 2.27 0.00 0.00 -0.36 0.00 0.00 55.97 57.90 3a42 s LYS 19 Cb 0.05 -3.23 0.00 0.00 -1.51 0.00 0.00 37.83 33.14 3a42 s LYS 19 CO 0.30 -0.57 0.00 0.41 -0.36 0.00 0.00 175.35 175.13 3a42 n GLY 20 N 3.70 1.96 3.89 5.54 0.00 -0.20 -4.97 105.19 115.12 3a42 n GLY 20 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 3a42 n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3a42 s LYS 21 N -0.50 3.17 -0.25 1.61 -0.14 -0.58 -4.76 119.74 118.30 3a42 s LYS 21 Ca 0.00 0.35 -0.08 0.00 -1.36 0.00 0.00 55.97 54.88 3a42 s LYS 21 Cb 0.00 -2.17 -0.04 0.00 -1.68 0.00 0.00 37.83 33.95 3a42 s LYS 21 CO 0.00 -0.68 0.10 0.99 -0.76 0.00 0.00 175.35 175.00 3a42 s THR 22 N -3.10 4.62 -0.38 2.17 2.01 -1.26 -0.81 115.64 118.88 3a42 s THR 22 Ca 0.54 -0.07 -0.29 0.00 0.31 0.00 0.00 61.69 62.18 3a42 s THR 22 Cb -0.11 -3.16 0.02 0.00 0.01 0.00 0.00 72.50 69.26 3a42 s THR 22 CO 0.49 0.33 1.18 -0.22 -0.69 0.00 0.00 174.62 175.71 3a42 s LEU 23 N 1.53 3.79 -0.14 4.42 2.96 0.18 -1.90 118.68 129.53 3a42 s LEU 23 Ca 0.06 0.88 -0.13 0.00 -0.22 0.00 0.00 54.13 54.72 3a42 s LEU 23 Cb -0.15 -3.54 -0.10 0.00 0.50 0.00 0.00 46.19 42.89 3a42 s LEU 23 CO 0.05 -1.10 0.16 -0.33 -1.32 0.00 0.00 176.35 173.82 3a42 h GLU 24 N 8.97 0.00 -3.92 1.98 4.39 -0.28 -2.82 114.58 122.90 3a42 h GLU 24 Ca -0.23 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.33 3a42 h GLU 24 Cb 1.07 0.00 -0.18 0.00 -0.10 0.00 0.00 28.75 29.54 3a42 h GLU 24 CO 1.07 0.40 -0.60 -0.47 -1.16 0.00 0.00 179.01 178.26 3a42 s TYR 25 N -2.03 0.27 -0.07 4.33 5.04 -0.67 -4.60 117.35 119.63 3a42 s TYR 25 Ca -0.13 -0.61 0.01 0.00 -2.44 0.00 0.00 57.07 53.89 3a42 s TYR 25 Cb 0.01 -0.20 0.02 0.00 0.35 0.00 0.00 41.96 42.14 3a42 s TYR 25 CO 0.32 -0.32 -0.07 -1.50 -1.34 0.00 0.00 175.55 172.64 3a42 s ILE 26 N -2.55 0.80 -0.07 3.14 1.10 -1.26 0.62 121.20 122.97 3a42 s ILE 26 Ca -0.06 -0.22 0.00 0.00 -0.51 0.00 0.00 60.65 59.87 3a42 s ILE 26 Cb -0.02 -0.82 0.02 0.00 0.15 0.00 0.00 42.46 41.80 3a42 s ILE 26 CO -0.05 0.30 -0.05 -0.62 -2.11 0.00 0.00 174.94 172.42 3a42 s ASP 27 N 1.26 1.58 -0.79 4.50 3.68 0.11 -4.97 116.67 122.04 3a42 s ASP 27 Ca -0.05 -0.19 -0.18 0.00 2.13 0.00 0.00 52.55 54.26 3a42 s ASP 27 Cb -0.14 -0.61 0.14 0.00 -1.45 0.00 0.00 42.92 40.86 3a42 s ASP 27 CO -0.02 -0.10 0.91 -0.36 0.13 0.00 0.00 175.17 175.74 3a42 s PHE 28 N 1.38 3.19 -2.05 -5.34 0.40 -1.26 0.04 117.98 114.34 3a42 s PHE 28 Ca -0.03 -1.34 0.24 0.00 -0.60 0.00 0.00 56.93 55.20 3a42 s PHE 28 Cb -0.13 -4.10 1.35 0.00 0.51 0.00 0.00 43.02 40.64 3a42 s PHE 28 CO -0.03 -1.34 1.88 0.44 0.70 0.00 0.00 175.22 176.87 3a42 n ILE 29 N 5.20 0.02 -3.63 0.64 -5.35 -0.68 -4.19 119.36 111.37 3a42 n ILE 29 Ca 0.10 -0.04 -0.01 0.00 -0.27 0.00 0.00 62.75 62.53 3a42 n ILE 29 Cb 0.46 -0.27 -0.02 0.00 -1.74 0.00 0.00 39.64 38.08 3a42 n ILE 29 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 3a42 s SER 30 N -1.75 -0.00 0.00 7.28 0.15 -1.21 -4.95 113.70 113.22 3a42 s SER 30 Ca 0.36 -0.00 0.00 0.00 0.70 0.00 0.00 55.95 57.01 3a42 s SER 30 Cb 0.17 0.00 0.00 0.00 -1.71 0.00 0.00 66.02 64.48 3a42 s SER 30 CO 0.28 -0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.32 3a42 n GLY 31 N -0.09 -1.16 0.11 9.45 0.00 -1.26 -3.98 105.19 108.25 3a42 n GLY 31 Ca 0.03 -1.74 0.10 0.00 0.00 0.00 0.00 46.02 44.41 3a42 n GLY 31 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3a42 n ARG 32 N 0.00 0.13 -0.00 1.61 1.85 -1.26 -2.84 116.66 116.15 3a42 n ARG 32 Ca 0.00 0.47 0.05 0.00 -1.00 0.00 0.00 57.85 57.37 3a42 n ARG 32 Cb 0.00 -1.81 -0.07 0.00 -1.05 0.00 0.00 32.46 29.53 3a42 n ARG 32 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 3a42 n TYR 33 N -2.06 0.00 0.25 2.89 4.01 -1.26 -4.37 117.16 116.62 3a42 n TYR 33 Ca 0.01 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.84 3a42 n TYR 33 Cb 0.14 -0.14 0.65 0.00 -0.31 0.00 0.00 39.34 39.68 3a42 n TYR 33 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3a42 h SER 34 N 0.00 0.00 0.04 7.72 4.64 -1.65 -2.08 113.55 122.22 3a42 h SER 34 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3a42 h SER 34 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 3a42 h SER 34 CO 0.00 0.08 -0.02 0.11 -0.87 0.00 0.00 176.83 176.14 3a42 h LYS 35 N 0.00 -0.05 -4.14 4.77 1.79 -1.79 -3.44 116.57 113.71 3a42 h LYS 35 Ca -0.00 0.00 -0.62 0.00 -2.18 0.00 0.00 60.65 57.85 3a42 h LYS 35 Cb 0.16 0.01 -0.40 0.00 -1.58 0.00 0.00 32.23 30.42 3a42 h LYS 35 CO 0.01 -0.03 -0.73 -1.54 -1.08 0.00 0.00 179.45 176.07 3a42 s SER 36 N -3.46 4.42 0.77 0.86 1.04 -1.17 -5.12 113.70 111.04 3a42 s SER 36 Ca -0.01 -1.95 -0.16 0.00 0.48 0.00 0.00 55.95 54.30 3a42 s SER 36 Cb 0.00 -1.28 -0.14 0.00 0.10 0.00 0.00 66.02 64.70 3a42 s SER 36 CO 0.02 -0.39 -0.53 -0.62 0.98 0.00 0.00 173.24 172.71 3a42 n GLU 37 N 4.48 0.00 -0.94 4.02 4.71 -0.79 -4.62 120.64 127.51 3a42 n GLU 37 Ca 0.01 0.00 -0.30 0.00 -0.01 0.00 0.00 57.16 56.86 3a42 n GLU 37 Cb 0.42 -0.94 0.15 0.00 -1.01 0.00 0.00 31.44 30.05 3a42 n GLU 37 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 3a42 s PRO 38 N -1.54 1.21 0.07 3.49 0.04 -1.26 -4.89 135.00 132.11 3a42 s PRO 38 Ca 0.44 1.23 -0.34 0.00 0.04 0.00 0.00 61.00 62.36 3a42 s PRO 38 Cb -0.28 -1.77 -0.13 0.00 0.04 0.00 0.00 34.50 32.36 3a42 s PRO 38 CO 0.72 -2.39 1.69 -1.91 0.04 0.00 0.00 177.00 175.15 3a42 n GLU 39 N -4.04 2.18 -0.97 4.56 2.13 -1.26 -1.47 120.64 121.77 3a42 n GLU 39 Ca 0.09 0.79 0.00 0.00 0.66 0.00 0.00 57.16 58.70 3a42 n GLU 39 Cb 0.53 -2.59 0.00 0.00 0.27 0.00 0.00 31.44 29.65 3a42 n GLU 39 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3a42 n GLY 40 N 3.79 0.67 0.09 8.31 0.00 -1.26 -1.06 105.19 115.73 3a42 n GLY 40 Ca 0.19 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.11 3a42 n GLY 40 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3a42 h TYR 41 N 0.00 0.14 -0.55 1.61 3.20 -1.54 -1.72 116.97 118.12 3a42 h TYR 41 Ca 0.00 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.82 3a42 h TYR 41 Cb 0.00 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.21 3a42 h TYR 41 CO 0.00 0.08 0.14 -0.44 -1.64 0.00 0.00 178.16 176.30 3a42 h ASP 42 N 0.16 0.83 0.51 -2.11 3.32 -1.93 -1.64 116.42 115.55 3a42 h ASP 42 Ca 0.05 -0.23 -0.02 0.00 0.02 0.00 0.00 57.03 56.85 3a42 h ASP 42 Cb 0.00 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.33 3a42 h ASP 42 CO -0.03 0.84 -0.12 -0.78 -1.72 0.00 0.00 179.24 177.44 3a42 h ASP 43 N 0.77 0.00 0.22 6.45 3.58 -1.96 -2.96 116.42 122.52 3a42 h ASP 43 Ca 0.17 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.61 3a42 h ASP 43 Cb 0.34 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.39 3a42 h ASP 43 CO 0.00 0.12 -0.11 0.15 -2.88 0.00 0.00 179.24 176.52 3a42 h PHE 44 N 0.00 -0.27 0.00 0.28 3.04 -0.42 -3.19 116.94 116.38 3a42 h PHE 44 Ca -0.00 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.94 3a42 h PHE 44 Cb 0.40 0.09 0.00 0.00 2.56 0.00 0.00 35.95 39.00 3a42 h PHE 44 CO 0.00 -0.07 0.00 0.44 -2.02 0.00 0.00 178.31 176.66 3a42 n ILE 45 N -4.97 0.54 0.13 1.41 -5.35 -0.73 -0.89 119.36 109.51 3a42 n ILE 45 Ca -0.05 0.14 0.09 0.00 -0.27 0.00 0.00 62.75 62.65 3a42 n ILE 45 Cb 0.17 -1.00 0.04 0.00 -1.74 0.00 0.00 39.64 37.11 3a42 n ILE 45 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3a42 h ALA 46 N 2.44 0.70 -0.03 -1.28 0.00 -1.51 -3.27 119.26 116.32 3a42 h ALA 46 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3a42 h ALA 46 Cb 0.05 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3a42 h ALA 46 CO 0.00 0.24 -0.14 0.09 0.00 0.00 0.00 179.25 179.44 3a42 n ASN 47 N -2.92 2.68 -4.80 0.00 5.03 -0.07 -4.96 115.26 110.24 3a42 n ASN 47 Ca -0.00 -1.84 -0.33 0.00 0.87 0.00 0.00 54.58 53.27 3a42 n ASN 47 Cb 0.62 0.14 -0.00 0.00 -1.02 0.00 0.00 39.78 39.52 3a42 n ASN 47 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3a42 s LEU 48 N -2.11 3.62 0.58 3.41 1.02 -1.14 -4.48 118.68 119.58 3a42 s LEU 48 Ca 0.25 1.89 -0.17 0.00 0.02 0.00 0.00 54.13 56.12 3a42 s LEU 48 Cb 0.19 -4.55 -0.04 0.00 0.02 0.00 0.00 46.19 41.82 3a42 s LEU 48 CO 0.37 -1.07 1.08 -2.16 0.02 0.00 0.00 176.35 174.59 3a42 s PRO 49 N -3.75 3.28 0.06 1.29 0.04 -1.26 -5.05 135.00 129.60 3a42 s PRO 49 Ca 0.66 1.35 0.02 0.00 0.04 0.00 0.00 61.00 63.07 3a42 s PRO 49 Cb -0.17 -2.02 -0.03 0.00 0.04 0.00 0.00 34.50 32.32 3a42 s PRO 49 CO 0.31 -0.87 -0.08 -0.51 0.04 0.00 0.00 177.00 175.90 3a42 s LEU 50 N -4.29 2.33 0.01 -3.56 1.43 -1.06 -4.64 118.68 108.90 3a42 s LEU 50 Ca 0.67 -0.68 -0.12 0.00 -1.03 0.00 0.00 54.13 52.97 3a42 s LEU 50 Cb -0.19 -0.14 -0.05 0.00 0.03 0.00 0.00 46.19 45.84 3a42 s LEU 50 CO 0.33 -0.28 0.36 -0.54 0.23 0.00 0.00 176.35 176.45 3a42 s LYS 51 N -2.24 3.78 -0.11 1.70 -0.14 -0.84 0.51 119.74 122.39 3a42 s LYS 51 Ca -0.03 0.23 -0.24 0.00 -1.36 0.00 0.00 55.97 54.56 3a42 s LYS 51 Cb -0.06 -3.14 -0.03 0.00 -1.68 0.00 0.00 37.83 32.93 3a42 s LYS 51 CO -0.01 0.66 0.76 0.08 -0.76 0.00 0.00 175.35 176.08 3a42 s VAL 52 N -1.18 4.97 -0.03 3.17 1.01 0.01 -1.50 120.40 126.85 3a42 s VAL 52 Ca 0.25 1.53 0.14 0.00 0.00 0.00 0.00 61.98 63.90 3a42 s VAL 52 Cb -0.15 -4.08 -0.22 0.00 0.00 0.00 0.00 36.38 31.93 3a42 s VAL 52 CO 0.14 0.15 0.30 -1.54 0.00 0.00 0.00 175.10 174.14 3a42 n SER 53 N 4.45 1.72 -3.53 3.32 3.41 0.18 -1.03 113.62 122.14 3a42 n SER 53 Ca 0.01 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.52 3a42 n SER 53 Cb 0.50 1.60 -0.04 0.00 -0.26 0.00 0.00 64.21 66.01 3a42 n SER 53 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3a42 s ASN 54 N -3.72 -0.42 -0.22 4.04 0.02 -1.06 -4.83 114.94 108.75 3a42 s ASN 54 Ca -0.05 0.25 -0.04 0.00 -1.02 0.00 0.00 52.86 52.00 3a42 s ASN 54 Cb 0.09 0.39 0.07 0.00 0.02 0.00 0.00 41.25 41.82 3a42 s ASN 54 CO 0.59 -0.53 0.09 -0.69 0.02 0.00 0.00 177.10 176.58 3a42 s VAL 55 N -2.13 0.09 0.38 1.60 1.01 -1.26 -0.64 120.40 119.44 3a42 s VAL 55 Ca 0.00 -0.50 0.04 0.00 0.00 0.00 0.00 61.98 61.52 3a42 s VAL 55 Cb -0.01 -0.85 -0.05 0.00 0.00 0.00 0.00 36.38 35.47 3a42 s VAL 55 CO -0.03 -0.43 0.05 -0.62 0.00 0.00 0.00 175.10 174.08 3a42 s ASP 56 N 2.04 2.94 0.13 3.32 -1.08 -0.74 -4.66 116.67 118.62 3a42 s ASP 56 Ca 0.04 -1.46 -0.06 0.00 -0.52 0.00 0.00 52.55 50.55 3a42 s ASP 56 Cb -0.16 0.02 -0.02 0.00 -1.46 0.00 0.00 42.92 41.30 3a42 s ASP 56 CO -0.18 -0.66 0.18 0.42 0.52 0.00 0.00 175.17 175.45 3a42 s THR 57 N -3.12 0.10 -0.24 1.71 -4.23 -1.26 -0.86 115.64 107.74 3a42 s THR 57 Ca 0.31 -1.50 -0.02 0.00 -1.18 0.00 0.00 61.69 59.30 3a42 s THR 57 Cb 0.07 -1.75 0.12 0.00 1.34 0.00 0.00 72.50 72.28 3a42 s THR 57 CO 0.15 -0.47 0.32 -0.75 -0.54 0.00 0.00 174.62 173.33 3a42 s LYS 58 N -3.96 0.30 7.02 3.99 2.20 -0.04 -5.00 119.74 124.25 3a42 s LYS 58 Ca 0.15 0.30 0.00 0.00 -0.36 0.00 0.00 55.97 56.07 3a42 s LYS 58 Cb 0.05 -0.70 0.00 0.00 -1.51 0.00 0.00 37.83 35.67 3a42 s LYS 58 CO -0.03 -0.74 0.00 0.41 -0.36 0.00 0.00 175.35 174.63 3a42 n GLY 59 N 5.34 2.14 0.78 5.54 0.00 -1.26 -2.03 105.19 115.70 3a42 n GLY 59 Ca -0.04 -0.38 0.10 0.00 0.00 0.00 0.00 46.02 45.71 3a42 n GLY 59 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3a42 n LYS 60 N 13.12 2.01 -3.51 1.61 5.02 -1.26 -4.47 118.16 130.67 3a42 n LYS 60 Ca 0.00 -1.53 -0.39 0.00 -2.02 0.00 0.00 58.31 54.37 3a42 n LYS 60 Cb 0.00 -1.42 -0.10 0.00 -0.02 0.00 0.00 35.03 33.49 3a42 n LYS 60 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 3a42 s PHE 61 N -1.64 3.22 0.01 2.13 5.36 -0.86 -4.49 117.98 121.72 3a42 s PHE 61 Ca 0.34 0.05 0.03 0.00 -0.96 0.00 0.00 56.93 56.38 3a42 s PHE 61 Cb 0.19 -2.48 -0.04 0.00 -0.34 0.00 0.00 43.02 40.35 3a42 s PHE 61 CO 0.27 -0.27 -0.04 -1.17 -1.46 0.00 0.00 175.22 172.55 3a42 s LEU 62 N 1.84 3.31 -0.05 6.12 0.20 -0.46 -0.86 118.68 128.78 3a42 s LEU 62 Ca 0.09 -0.11 -0.10 0.00 0.69 0.00 0.00 54.13 54.70 3a42 s LEU 62 Cb -0.16 -1.92 0.02 0.00 -0.43 0.00 0.00 46.19 43.70 3a42 s LEU 62 CO 0.11 0.27 0.23 -1.66 -0.29 0.00 0.00 176.35 175.01 3a42 s TRP 63 N -1.06 -0.16 0.03 5.38 -2.14 -0.04 -0.42 118.94 120.52 3a42 s TRP 63 Ca 0.19 0.34 -0.04 0.00 2.66 0.00 0.00 56.10 59.25 3a42 s TRP 63 Cb -0.11 0.05 -0.04 0.00 -3.10 0.00 0.00 33.47 30.27 3a42 s TRP 63 CO 0.09 -0.24 0.24 -0.06 -2.66 0.00 0.00 176.95 174.33 3a42 s PHE 64 N -0.66 3.54 -0.17 1.66 0.40 -0.39 -1.79 117.98 120.57 3a42 s PHE 64 Ca -0.08 0.44 0.01 0.00 -0.60 0.00 0.00 56.93 56.70 3a42 s PHE 64 Cb -0.04 -1.90 0.02 0.00 0.51 0.00 0.00 43.02 41.61 3a42 s PHE 64 CO 0.02 0.60 -0.16 -2.00 0.70 0.00 0.00 175.22 174.37 3a42 s GLU 65 N -2.07 2.56 0.19 0.44 2.12 0.19 -1.71 118.70 120.42 3a42 s GLU 65 Ca 0.30 -0.69 0.09 0.00 0.36 0.00 0.00 54.97 55.03 3a42 s GLU 65 Cb -0.13 -2.32 -0.04 0.00 0.26 0.00 0.00 34.13 31.90 3a42 s GLU 65 CO 0.20 -0.24 -0.17 -0.51 -0.54 0.00 0.00 175.26 174.00 3a42 s LEU 66 N 1.40 2.50 0.02 2.70 1.02 0.94 0.50 118.68 127.76 3a42 s LEU 66 Ca 0.04 -0.95 0.01 0.00 0.02 0.00 0.00 54.13 53.26 3a42 s LEU 66 Cb -0.13 -0.79 -0.01 0.00 0.02 0.00 0.00 46.19 45.27 3a42 s LEU 66 CO -0.11 -0.08 -0.05 0.72 0.02 0.00 0.00 176.35 176.84 3a42 s PHE 67 N -2.49 0.44 0.00 0.29 -0.71 -0.56 -0.29 117.98 114.65 3a42 s PHE 67 Ca 0.20 -0.29 -0.30 0.00 -1.04 0.00 0.00 56.93 55.50 3a42 s PHE 67 Cb -0.04 -0.27 -0.06 0.00 -1.21 0.00 0.00 43.02 41.44 3a42 s PHE 67 CO 0.08 -0.06 1.49 0.34 -1.34 0.00 0.00 175.22 175.73 3a42 s ASP 68 N -0.81 6.77 0.18 1.98 3.68 -0.76 -1.99 116.67 125.71 3a42 s ASP 68 Ca -0.05 2.20 -0.23 0.00 2.13 0.00 0.00 52.55 56.60 3a42 s ASP 68 Cb -0.06 -2.56 0.09 0.00 -1.45 0.00 0.00 42.92 38.95 3a42 s ASP 68 CO -0.00 -0.79 1.57 -0.65 0.13 0.00 0.00 175.17 175.43 3a42 h PRO 69 N 8.21 -0.17 0.26 4.34 0.11 -1.93 -3.08 132.00 139.74 3a42 h PRO 69 Ca -0.39 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.72 3a42 h PRO 69 Cb 1.18 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3a42 h PRO 69 CO 0.92 -0.11 -0.12 -0.91 -0.21 0.00 0.00 178.00 177.56 3a42 h ASN 70 N -0.17 -0.30 -2.99 -2.05 -0.26 -1.96 -3.39 115.58 104.46 3a42 h ASN 70 Ca 0.22 0.01 -0.74 0.00 -0.56 0.00 0.00 56.30 55.23 3a42 h ASN 70 Cb 0.56 0.08 -0.22 0.00 -1.06 0.00 0.00 38.32 37.68 3a42 h ASN 70 CO -0.72 -0.14 0.59 -0.62 -1.06 0.00 0.00 177.43 175.48 3a42 s ASP 71 N -3.24 6.79 0.00 5.81 3.68 -1.20 -4.89 116.67 123.63 3a42 s ASP 71 Ca -0.05 -2.52 0.10 0.00 2.13 0.00 0.00 52.55 52.21 3a42 s ASP 71 Cb 0.01 -2.31 0.62 0.00 -1.45 0.00 0.00 42.92 39.78 3a42 s ASP 71 CO 0.15 -0.78 1.06 1.17 0.13 0.00 0.00 175.17 176.90 3a42 n LYS 72 N 5.18 0.34 0.03 4.34 4.81 -1.17 -0.79 118.16 130.90 3a42 n LYS 72 Ca 0.22 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 57.77 3a42 n LYS 72 Cb 0.47 -1.48 0.10 0.00 0.02 0.00 0.00 35.03 34.14 3a42 n LYS 72 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 3a42 n SER 73 N -0.98 0.63 -4.47 3.14 3.41 -1.26 -4.56 113.62 109.53 3a42 n SER 73 Ca 0.08 -0.15 -0.44 0.00 -0.26 0.00 0.00 58.87 58.11 3a42 n SER 73 Cb 0.04 0.51 -0.02 0.00 -0.26 0.00 0.00 64.21 64.48 3a42 n SER 73 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3a42 s ASN 74 N -3.81 6.75 -0.13 4.04 2.47 0.03 -5.00 114.94 119.29 3a42 s ASN 74 Ca 0.06 -2.27 -0.12 0.00 0.42 0.00 0.00 52.86 50.95 3a42 s ASN 74 Cb 0.15 -2.42 -0.05 0.00 -1.45 0.00 0.00 41.25 37.48 3a42 s ASN 74 CO 0.76 -1.01 0.25 -0.54 -3.72 0.00 0.00 177.10 172.83 3a42 s LYS 75 N 2.60 4.00 0.20 0.43 1.02 -1.26 -1.83 119.74 124.89 3a42 s LYS 75 Ca 0.37 0.04 0.11 0.00 0.02 0.00 0.00 55.97 56.51 3a42 s LYS 75 Cb -0.04 -3.34 -0.04 0.00 -0.52 0.00 0.00 37.83 33.89 3a42 s LYS 75 CO -0.06 0.45 -0.24 -1.58 -0.92 0.00 0.00 175.35 173.00 3a42 s TRP 76 N -0.15 2.30 0.01 3.18 0.52 0.60 -4.52 118.94 120.86 3a42 s TRP 76 Ca 0.16 -0.36 0.00 0.00 0.02 0.00 0.00 56.10 55.93 3a42 s TRP 76 Cb -0.13 -1.13 -0.01 0.00 -1.15 0.00 0.00 33.47 31.06 3a42 s TRP 76 CO 0.04 0.52 -0.02 0.71 0.02 0.00 0.00 176.95 178.22 3a42 s TYR 77 N -1.75 0.20 -0.36 -1.98 1.51 0.13 -0.04 117.35 115.06 3a42 s TYR 77 Ca 0.21 -0.16 -0.04 0.00 -1.01 0.00 0.00 57.07 56.08 3a42 s TYR 77 Cb -0.08 -0.13 0.07 0.00 -0.11 0.00 0.00 41.96 41.72 3a42 s TYR 77 CO 0.10 -0.05 0.12 0.42 -1.11 0.00 0.00 175.55 175.03 3a42 s ILE 78 N -0.42 3.34 0.22 2.71 1.01 -0.70 -1.16 121.20 126.20 3a42 s ILE 78 Ca -0.04 -1.60 -0.29 0.00 0.00 0.00 0.00 60.65 58.72 3a42 s ILE 78 Cb -0.03 -3.07 -0.09 0.00 0.01 0.00 0.00 42.46 39.29 3a42 s ILE 78 CO -0.00 -0.37 0.92 0.26 0.00 0.00 0.00 174.94 175.74 3a42 s TRP 79 N 1.25 3.96 -0.20 3.97 0.52 0.98 -1.26 118.94 128.16 3a42 s TRP 79 Ca 0.01 1.87 -0.16 0.00 0.02 0.00 0.00 56.10 57.84 3a42 s TRP 79 Cb -0.21 -2.96 0.06 0.00 -1.15 0.00 0.00 33.47 29.21 3a42 s TRP 79 CO -0.01 0.44 0.52 1.21 0.02 0.00 0.00 176.95 179.13 3a42 s ASN 80 N -1.06 -0.59 -0.05 2.95 2.47 0.44 -2.21 114.94 116.88 3a42 s ASN 80 Ca 0.41 1.07 0.02 0.00 0.42 0.00 0.00 52.86 54.78 3a42 s ASN 80 Cb -0.25 1.04 0.02 0.00 -1.45 0.00 0.00 41.25 40.60 3a42 s ASN 80 CO 0.31 -0.19 -0.09 0.42 -3.72 0.00 0.00 177.10 173.83 3a42 s THR 81 N 0.71 0.90 0.25 -5.21 -4.23 -0.95 -1.36 115.64 105.76 3a42 s THR 81 Ca -0.04 -0.35 -0.01 0.00 -1.18 0.00 0.00 61.69 60.12 3a42 s THR 81 Cb -0.05 -0.85 0.06 0.00 1.34 0.00 0.00 72.50 73.00 3a42 s THR 81 CO -0.05 0.30 1.69 -0.26 -0.54 0.00 0.00 174.62 175.76 3a42 h PHE 82 N 6.99 0.70 -0.67 3.99 -1.00 -1.87 -1.74 116.94 123.34 3a42 h PHE 82 Ca -0.34 -0.15 0.00 0.00 2.81 0.00 0.00 57.97 60.30 3a42 h PHE 82 Cb 1.17 -0.17 0.00 0.00 3.61 0.00 0.00 35.95 40.56 3a42 h PHE 82 CO 0.49 0.79 0.00 0.41 -1.61 0.00 0.00 178.31 178.39 3a42 n GLY 83 N -0.35 -1.35 0.35 -1.45 0.00 -1.26 -1.44 105.19 99.69 3a42 n GLY 83 Ca 0.00 -1.22 -0.01 0.00 0.00 0.00 0.00 46.02 44.79 3a42 n GLY 83 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3a42 h LEU 84 N 0.00 0.91 -0.92 0.99 4.07 -1.91 -3.28 115.31 115.17 3a42 h LEU 84 Ca 0.00 -0.05 0.00 0.00 0.08 0.00 0.00 57.88 57.91 3a42 h LEU 84 Cb 0.00 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 41.51 3a42 h LEU 84 CO 0.00 0.70 0.00 0.35 -1.08 0.00 0.00 178.44 178.41 3a42 n THR 85 N -4.39 0.06 -2.16 0.22 -2.24 -1.26 -3.86 114.28 100.66 3a42 n THR 85 Ca 0.08 -0.42 -0.42 0.00 -2.27 0.00 0.00 64.05 61.02 3a42 n THR 85 Cb 0.06 1.17 -0.03 0.00 -2.10 0.00 0.00 70.33 69.43 3a42 n THR 85 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3a42 s GLY 86 N -0.06 2.03 -0.01 3.38 0.00 -0.52 -4.31 107.32 107.83 3a42 s GLY 86 Ca 0.00 1.14 -0.03 0.00 0.00 0.00 0.00 44.72 45.83 3a42 s GLY 86 CO 0.00 2.32 0.06 -3.16 0.00 0.00 0.00 173.10 172.32 3a42 s MET 87 N 0.89 0.23 0.36 2.90 0.23 0.73 -4.78 119.30 119.86 3a42 s MET 87 Ca 0.64 -0.20 -0.03 0.00 -1.03 0.00 0.00 55.69 55.07 3a42 s MET 87 Cb -0.37 0.09 -0.04 0.00 -1.53 0.00 0.00 34.83 32.98 3a42 s MET 87 CO 0.32 -0.04 0.61 -1.58 -2.03 0.00 0.00 175.02 172.29 3a42 s TRP 88 N -0.67 3.51 0.18 3.16 0.52 -1.26 -0.17 118.94 124.21 3a42 s TRP 88 Ca -0.07 0.57 -0.23 0.00 0.02 0.00 0.00 56.10 56.38 3a42 s TRP 88 Cb -0.05 -2.07 0.06 0.00 -1.15 0.00 0.00 33.47 30.27 3a42 s TRP 88 CO 0.00 0.04 0.69 -1.54 0.02 0.00 0.00 176.95 176.17 3a42 s SER 89 N -3.74 -0.43 -0.04 2.95 1.04 0.58 -4.51 113.70 109.55 3a42 s SER 89 Ca 0.43 -0.20 0.18 0.00 0.48 0.00 0.00 55.95 56.84 3a42 s SER 89 Cb -0.10 0.61 0.58 0.00 0.10 0.00 0.00 66.02 67.20 3a42 s SER 89 CO 0.36 -1.04 1.49 0.18 0.98 0.00 0.00 173.24 175.21 3a42 n LEU 90 N -0.39 3.93 -3.88 2.42 4.32 -1.26 -0.27 117.00 121.86 3a42 n LEU 90 Ca -0.12 -2.18 -0.11 0.00 -0.02 0.00 0.00 56.01 53.58 3a42 n LEU 90 Cb 0.63 -0.45 -0.10 0.00 -1.62 0.00 0.00 43.42 41.87 3a42 n LEU 90 CO 0.13 0.86 -0.19 0.72 -1.22 0.00 0.00 177.39 177.69 3a42 s PHE 91 N -1.34 0.06 -0.27 -1.77 -0.71 -1.26 -4.83 117.98 107.87 3a42 s PHE 91 Ca 0.43 -0.17 -0.29 0.00 -1.04 0.00 0.00 56.93 55.86 3a42 s PHE 91 Cb 0.25 -0.06 -0.02 0.00 -1.21 0.00 0.00 43.02 41.98 3a42 s PHE 91 CO 0.25 -0.28 1.64 -2.00 -1.34 0.00 0.00 175.22 173.50 3a42 s GLU 92 N -1.39 3.66 0.49 1.99 2.12 -1.26 -4.78 118.70 119.53 3a42 s GLU 92 Ca -0.15 1.53 0.08 0.00 0.36 0.00 0.00 54.97 56.79 3a42 s GLU 92 Cb -0.08 -4.08 0.03 0.00 0.26 0.00 0.00 34.13 30.26 3a42 s GLU 92 CO 0.01 -1.46 0.51 0.00 -0.54 0.00 0.00 175.26 173.78 3a42 s ALA 93 N 5.65 4.38 0.46 6.30 0.00 -1.26 -5.04 121.76 132.25 3a42 s ALA 93 Ca 0.73 -1.75 -0.25 0.00 0.00 0.00 0.00 51.96 50.69 3a42 s ALA 93 Cb -0.23 -1.11 -0.08 0.00 0.00 0.00 0.00 23.12 21.70 3a42 s ALA 93 CO 0.31 -0.45 1.44 0.21 0.00 0.00 0.00 175.76 177.26 3a42 s LYS 94 N -4.33 3.63 -1.52 0.00 2.20 -1.26 -2.33 119.74 116.14 3a42 s LYS 94 Ca 0.48 2.44 0.00 0.00 -0.36 0.00 0.00 55.97 58.53 3a42 s LYS 94 Cb -0.04 -2.63 0.00 0.00 -1.51 0.00 0.00 37.83 33.65 3a42 s LYS 94 CO 0.29 -0.87 0.00 0.66 -0.36 0.00 0.00 175.35 175.07 3a42 n TYR 95 N -0.26 -0.73 -1.76 4.03 4.02 -1.26 -4.67 117.16 116.53 3a42 n TYR 95 Ca 0.05 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.52 3a42 n TYR 95 Cb 0.42 -3.41 -0.03 0.00 -0.02 0.00 0.00 39.34 36.30 3a42 n TYR 95 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 3a42 s THR 96 N -2.84 2.09 -0.17 -0.72 2.01 -0.98 -2.29 115.64 112.74 3a42 s THR 96 Ca 0.00 0.07 -0.03 0.00 0.31 0.00 0.00 61.69 62.04 3a42 s THR 96 Cb 0.00 -3.04 -0.09 0.00 0.01 0.00 0.00 72.50 69.38 3a42 s THR 96 CO 0.00 0.01 -0.18 0.54 -0.69 0.00 0.00 174.62 174.30 3a42 n ARG 97 N 3.72 0.38 -4.78 4.92 5.12 -0.13 -4.49 116.66 121.41 3a42 n ARG 97 Ca 0.15 0.12 -0.31 0.00 -1.93 0.00 0.00 57.85 55.88 3a42 n ARG 97 Cb 0.36 -1.23 -0.14 0.00 -1.16 0.00 0.00 32.46 30.29 3a42 n ARG 97 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3a42 s ALA 98 N -2.32 2.44 -0.14 7.54 0.00 -1.05 -1.68 121.76 126.55 3a42 s ALA 98 Ca -0.23 -1.22 0.00 0.00 0.00 0.00 0.00 51.96 50.51 3a42 s ALA 98 Cb 0.07 -0.63 0.02 0.00 0.00 0.00 0.00 23.12 22.59 3a42 s ALA 98 CO 0.34 0.55 -0.12 0.08 0.00 0.00 0.00 175.76 176.62 3a42 s VAL 99 N -0.86 1.39 -0.16 0.00 1.01 0.11 -2.26 120.40 119.62 3a42 s VAL 99 Ca 0.13 -0.54 -0.04 0.00 0.00 0.00 0.00 61.98 61.53 3a42 s VAL 99 Cb -0.10 -1.35 -0.03 0.00 0.00 0.00 0.00 36.38 34.90 3a42 s VAL 99 CO 0.04 0.41 -0.02 -0.76 0.00 0.00 0.00 175.10 174.76 3a42 s LEU 100 N 1.56 3.29 -0.19 3.92 1.02 -0.21 0.05 118.68 128.12 3a42 s LEU 100 Ca 0.05 -0.13 -0.05 0.00 0.02 0.00 0.00 54.13 54.02 3a42 s LEU 100 Cb -0.13 -1.80 -0.02 0.00 0.02 0.00 0.00 46.19 44.25 3a42 s LEU 100 CO -0.10 0.15 -0.01 -0.44 0.02 0.00 0.00 176.35 175.98 3a42 s SER 101 N 0.47 4.81 0.49 2.29 0.01 0.20 -2.11 113.70 119.86 3a42 s SER 101 Ca -0.03 -0.19 0.05 0.00 1.31 0.00 0.00 55.95 57.10 3a42 s SER 101 Cb -0.14 -1.82 -0.01 0.00 0.21 0.00 0.00 66.02 64.27 3a42 s SER 101 CO 0.03 0.08 0.26 -0.36 0.41 0.00 0.00 173.24 173.65 3a42 s PHE 102 N 0.90 2.07 0.94 2.43 0.40 -0.04 0.45 117.98 125.13 3a42 s PHE 102 Ca 0.01 -0.75 -0.10 0.00 -0.60 0.00 0.00 56.93 55.48 3a42 s PHE 102 Cb -0.14 -1.89 0.16 0.00 0.51 0.00 0.00 43.02 41.65 3a42 s PHE 102 CO 0.02 -0.10 1.14 0.16 0.70 0.00 0.00 175.22 177.13 3a42 s ASP 103 N -4.07 2.70 -1.44 1.36 1.47 -0.80 -3.17 116.67 112.72 3a42 s ASP 103 Ca 0.32 2.13 -0.09 0.00 1.18 0.00 0.00 52.55 56.10 3a42 s ASP 103 Cb 0.00 -2.55 0.05 0.00 -0.34 0.00 0.00 42.92 40.09 3a42 s ASP 103 CO 0.19 -3.24 0.68 0.59 0.68 0.00 0.00 175.17 174.07 3a42 n ASN 104 N -4.32 -5.00 -2.04 2.11 4.13 -1.26 -2.58 115.26 106.29 3a42 n ASN 104 Ca 0.11 -0.44 -0.14 0.00 1.68 0.00 0.00 54.58 55.79 3a42 n ASN 104 Cb 0.52 -4.05 -0.03 0.00 -1.54 0.00 0.00 39.78 34.69 3a42 n ASN 104 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3a42 n GLU 105 N -4.12 -1.82 -2.70 3.52 4.71 -1.19 -4.93 120.64 114.11 3a42 n GLU 105 Ca -0.04 0.72 -0.43 0.00 -0.01 0.00 0.00 57.16 57.41 3a42 n GLU 105 Cb 0.57 -5.20 -0.02 0.00 -1.01 0.00 0.00 31.44 25.78 3a42 n GLU 105 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 3a42 s LEU 106 N -4.98 4.17 0.17 -4.62 2.96 -1.07 -4.90 118.68 110.41 3a42 s LEU 106 Ca 0.00 1.42 0.07 0.00 -0.22 0.00 0.00 54.13 55.40 3a42 s LEU 106 Cb 0.00 -3.51 -0.04 0.00 0.50 0.00 0.00 46.19 43.14 3a42 s LEU 106 CO 0.00 -0.54 0.04 -0.04 -1.32 0.00 0.00 176.35 174.48 3a42 s MET 107 N 2.57 2.54 -0.06 1.98 -1.94 -1.26 -0.86 119.30 122.27 3a42 s MET 107 Ca 0.45 -1.03 -0.04 0.00 -1.71 0.00 0.00 55.69 53.36 3a42 s MET 107 Cb -0.17 -2.44 0.03 0.00 2.01 0.00 0.00 34.83 34.26 3a42 s MET 107 CO 0.12 0.47 0.15 0.00 -0.01 0.00 0.00 175.02 175.75 3a42 s ALA 108 N -1.72 -0.32 0.18 3.03 0.00 -0.90 -4.78 121.76 117.26 3a42 s ALA 108 Ca 0.28 0.59 0.09 0.00 0.00 0.00 0.00 51.96 52.93 3a42 s ALA 108 Cb -0.10 -0.38 -0.04 0.00 0.00 0.00 0.00 23.12 22.60 3a42 s ALA 108 CO 0.20 -0.12 -0.19 0.71 0.00 0.00 0.00 175.76 176.35 3a42 s TYR 109 N 0.76 1.91 -0.27 0.00 1.51 0.62 -1.04 117.35 120.83 3a42 s TYR 109 Ca -0.06 -0.45 0.00 0.00 -1.01 0.00 0.00 57.07 55.55 3a42 s TYR 109 Cb -0.07 -0.94 0.08 0.00 -0.11 0.00 0.00 41.96 40.92 3a42 s TYR 109 CO -0.04 0.38 0.04 0.12 -1.11 0.00 0.00 175.55 174.93 3a42 s PHE 110 N -2.07 2.11 0.29 2.71 5.36 -0.96 -0.30 117.98 125.11 3a42 s PHE 110 Ca 0.18 -1.79 -0.07 0.00 -0.96 0.00 0.00 56.93 54.28 3a42 s PHE 110 Cb -0.06 -1.74 -0.06 0.00 -0.34 0.00 0.00 43.02 40.82 3a42 s PHE 110 CO 0.08 -0.82 0.58 -1.12 -1.46 0.00 0.00 175.22 172.48 3a42 s SER 111 N 1.48 6.51 -0.46 6.13 0.01 0.76 -0.95 113.70 127.18 3a42 s SER 111 Ca 0.04 0.83 0.03 0.00 1.31 0.00 0.00 55.95 58.15 3a42 s SER 111 Cb -0.18 -2.19 0.20 0.00 0.21 0.00 0.00 66.02 64.06 3a42 s SER 111 CO -0.14 -0.19 0.85 -0.67 0.41 0.00 0.00 173.24 173.50 3a42 n ASP 112 N -0.76 -2.81 -0.26 2.44 -0.08 -0.97 -0.19 116.55 113.92 3a42 n ASP 112 Ca -0.01 -2.30 0.05 0.00 -1.51 0.00 0.00 54.79 51.02 3a42 n ASP 112 Cb 0.53 1.43 0.15 0.00 2.34 0.00 0.00 41.12 45.58 3a42 n ASP 112 CO 0.00 0.00 0.00 -0.03 0.12 0.00 0.00 177.20 177.29 3a42 h MET 113 N 4.71 0.09 -0.00 -0.67 1.85 -1.79 -1.00 114.93 118.12 3a42 h MET 113 Ca 0.03 -0.01 0.00 0.00 -0.61 0.00 0.00 59.70 59.12 3a42 h MET 113 Cb 1.13 -0.02 0.00 0.00 0.43 0.00 0.00 31.60 33.14 3a42 h MET 113 CO -0.02 0.06 -0.29 0.54 -0.40 0.00 0.00 176.91 176.80 3a42 n ARG 114 N -5.35 0.00 -3.45 0.39 1.74 -1.26 -4.96 116.66 103.76 3a42 n ARG 114 Ca 0.13 -0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 57.01 3a42 n ARG 114 Cb 0.47 -1.50 0.08 0.00 -1.02 0.00 0.00 32.46 30.48 3a42 n ARG 114 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3a42 n ASN 115 N -1.50 -4.93 0.00 0.55 3.02 -0.38 -4.91 115.26 107.12 3a42 n ASN 115 Ca 0.06 -0.52 0.11 0.00 -0.03 0.00 0.00 54.58 54.20 3a42 n ASN 115 Cb 0.34 -4.69 -0.07 0.00 -0.61 0.00 0.00 39.78 34.75 3a42 n ASN 115 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3a42 n PHE 116 N -4.55 0.06 -1.66 3.10 3.72 -1.26 -4.86 117.46 112.00 3a42 n PHE 116 Ca -0.07 0.02 -0.33 0.00 -0.05 0.00 0.00 57.45 57.02 3a42 n PHE 116 Cb 0.58 -0.21 0.05 0.00 -0.94 0.00 0.00 39.48 38.97 3a42 n PHE 116 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3a42 s GLY 117 N -3.44 2.04 0.11 1.37 0.00 -1.23 -4.52 107.32 101.66 3a42 s GLY 117 Ca 0.04 0.47 0.05 0.00 0.00 0.00 0.00 44.72 45.28 3a42 s GLY 117 CO 0.85 0.82 -0.12 -0.51 0.00 0.00 0.00 173.10 174.14 3a42 s THR 118 N -2.48 1.11 0.11 0.90 -4.23 -0.65 -4.96 115.64 105.45 3a42 s THR 118 Ca 0.65 -1.70 0.03 0.00 -1.18 0.00 0.00 61.69 59.49 3a42 s THR 118 Cb -0.19 -1.46 -0.04 0.00 1.34 0.00 0.00 72.50 72.14 3a42 s THR 118 CO 0.45 -0.52 -0.09 -0.36 -0.54 0.00 0.00 174.62 173.56 3a42 s PHE 119 N -2.39 1.07 -0.29 3.99 0.40 -1.26 -2.23 117.98 117.27 3a42 s PHE 119 Ca 0.08 -0.77 -0.19 0.00 -0.60 0.00 0.00 56.93 55.45 3a42 s PHE 119 Cb -0.03 -0.58 0.15 0.00 0.51 0.00 0.00 43.02 43.07 3a42 s PHE 119 CO 0.01 -0.02 1.05 0.21 0.70 0.00 0.00 175.22 177.17 3a42 s LYS 120 N -3.41 0.36 -0.14 0.44 2.20 -0.94 -4.42 119.74 113.84 3a42 s LYS 120 Ca 0.11 0.55 -0.02 0.00 -0.36 0.00 0.00 55.97 56.25 3a42 s LYS 120 Cb 0.01 0.11 -0.02 0.00 -1.51 0.00 0.00 37.83 36.42 3a42 s LYS 120 CO -0.01 -0.06 -0.07 -0.06 -0.36 0.00 0.00 175.35 174.78 3a42 s PHE 121 N 0.91 2.94 0.04 4.03 0.08 -0.22 -0.01 117.98 125.75 3a42 s PHE 121 Ca -0.04 -0.38 0.03 0.00 0.12 0.00 0.00 56.93 56.65 3a42 s PHE 121 Cb -0.04 -1.89 -0.02 0.00 -0.57 0.00 0.00 43.02 40.50 3a42 s PHE 121 CO -0.12 -0.05 -0.09 0.45 -0.10 0.00 0.00 175.22 175.31 3a42 s SER 122 N 0.22 0.97 -0.02 1.36 0.15 -0.31 -4.27 113.70 111.81 3a42 s SER 122 Ca -0.05 -0.53 0.10 0.00 0.70 0.00 0.00 55.95 56.17 3a42 s SER 122 Cb -0.14 0.02 0.29 0.00 -1.71 0.00 0.00 66.02 64.48 3a42 s SER 122 CO 0.04 -0.17 1.24 -3.20 1.20 0.00 0.00 173.24 172.35 3a42 n ASN 123 N 1.52 2.91 -4.53 5.45 4.05 -1.26 -0.69 115.26 122.71 3a42 n ASN 123 Ca -0.22 -2.10 -0.34 0.00 0.45 0.00 0.00 54.58 52.37 3a42 n ASN 123 Cb 0.55 -0.24 -0.12 0.00 1.23 0.00 0.00 39.78 41.20 3a42 n ASN 123 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 177.26 173.66 3a42 s SER 124 N -1.10 4.59 0.08 1.20 0.15 -1.26 -4.75 113.70 112.60 3a42 s SER 124 Ca 0.23 -0.09 0.19 0.00 0.70 0.00 0.00 55.95 56.98 3a42 s SER 124 Cb 0.13 -1.38 -0.12 0.00 -1.71 0.00 0.00 66.02 62.94 3a42 s SER 124 CO 0.13 0.29 0.81 1.21 1.20 0.00 0.00 173.24 176.88 3a42 n GLU 125 N 2.73 0.62 0.17 5.44 2.13 -1.26 -3.49 120.64 126.99 3a42 n GLU 125 Ca -0.18 0.13 0.05 0.00 0.66 0.00 0.00 57.16 57.83 3a42 n GLU 125 Cb 0.53 -1.77 0.20 0.00 0.27 0.00 0.00 31.44 30.67 3a42 n GLU 125 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 3a42 h LYS 126 N 0.00 0.00 0.00 5.31 1.57 -1.99 -2.41 116.57 119.05 3a42 h LYS 126 Ca -0.12 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.55 3a42 h LYS 126 Cb 1.38 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.68 3a42 h LYS 126 CO 0.03 0.40 -0.52 1.49 -0.57 0.00 0.00 179.45 180.27 3a42 h GLU 127 N 0.00 0.00 0.19 3.15 4.81 -1.99 -2.27 114.58 118.47 3a42 h GLU 127 Ca -0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 3a42 h GLU 127 Cb 1.11 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.49 3a42 h GLU 127 CO 0.05 0.52 -0.09 1.25 -0.73 0.00 0.00 179.01 180.01 3a42 h LEU 128 N 0.00 -0.21 -1.62 1.64 6.46 -1.53 -2.36 115.31 117.68 3a42 h LEU 128 Ca -0.01 -0.32 0.18 0.00 -0.12 0.00 0.00 57.88 57.62 3a42 h LEU 128 Cb 1.26 0.06 -0.05 0.00 -0.73 0.00 0.00 40.66 41.19 3a42 h LEU 128 CO 0.07 0.31 0.54 0.11 -0.62 0.00 0.00 178.44 178.85 3a42 h LYS 129 N -0.85 0.33 -0.47 1.25 1.57 -1.46 0.30 116.57 117.24 3a42 h LYS 129 Ca -0.03 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.61 3a42 h LYS 129 Cb 0.52 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 3a42 h LYS 129 CO 0.04 0.22 -0.19 -0.09 -0.57 0.00 0.00 179.45 178.87 3a42 h ARG 130 N 0.34 0.96 0.10 3.15 2.43 -1.37 -1.71 114.38 118.29 3a42 h ARG 130 Ca 0.40 -0.40 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 3a42 h ARG 130 Cb 1.06 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.57 3a42 h ARG 130 CO -0.12 1.07 -0.05 -0.22 -1.51 0.00 0.00 179.97 179.13 3a42 h LYS 131 N 0.80 -0.14 0.00 0.20 1.63 0.00 -2.90 116.57 116.17 3a42 h LYS 131 Ca 0.11 0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.92 3a42 h LYS 131 Cb 0.76 0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 32.42 3a42 h LYS 131 CO 0.06 0.24 -0.00 -0.07 -3.45 0.00 0.00 179.45 176.23 3a42 h LEU 132 N -0.54 0.00 -0.07 5.20 4.07 -0.75 0.18 115.31 123.40 3a42 h LEU 132 Ca -0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.95 3a42 h LEU 132 Cb 0.44 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.18 3a42 h LEU 132 CO 0.02 0.00 -0.21 -3.20 -1.08 0.00 0.00 178.44 173.98 3a42 n ASN 133 N -3.10 0.31 -0.20 -0.43 2.85 -0.64 -3.00 115.26 111.05 3a42 n ASN 133 Ca -0.03 -0.07 0.14 0.00 -0.11 0.00 0.00 54.58 54.52 3a42 n ASN 133 Cb 0.09 -0.12 0.62 0.00 1.24 0.00 0.00 39.78 41.61 3a42 n ASN 133 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 3a42 n GLU 134 N -1.34 1.00 -4.76 1.20 1.02 0.65 -4.84 120.64 113.56 3a42 n GLU 134 Ca 0.09 -0.40 -0.31 0.00 -0.02 0.00 0.00 57.16 56.51 3a42 n GLU 134 Cb 0.32 -1.49 -0.13 0.00 -0.02 0.00 0.00 31.44 30.12 3a42 n GLU 134 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3a42 s LEU 135 N -2.28 2.64 0.91 -4.62 1.43 -1.16 -4.53 118.68 111.05 3a42 s LEU 135 Ca 0.34 -0.35 -0.12 0.00 -1.03 0.00 0.00 54.13 52.97 3a42 s LEU 135 Cb 0.20 -1.54 0.14 0.00 0.03 0.00 0.00 46.19 45.03 3a42 s LEU 135 CO 0.43 0.29 1.14 -0.83 0.23 0.00 0.00 176.35 177.60 3a42 s GLY 136 N -1.19 1.58 0.53 -3.19 0.00 0.26 -4.89 107.32 100.41 3a42 s GLY 136 Ca 0.14 -0.51 -0.21 0.00 0.00 0.00 0.00 44.72 44.14 3a42 s GLY 136 CO 0.04 0.04 0.97 -1.55 0.00 0.00 0.00 173.10 172.60 3a42 n PRO 137 N -3.76 1.09 -1.94 2.90 -0.04 -1.26 -3.07 135.00 128.91 3a42 n PRO 137 Ca 0.06 0.41 -0.43 0.00 -0.04 0.00 0.00 63.50 63.50 3a42 n PRO 137 Cb 0.59 -2.11 -0.03 0.00 -0.04 0.00 0.00 33.50 31.91 3a42 n PRO 137 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3a42 s ASP 138 N -1.03 6.12 0.31 3.54 2.15 -1.26 0.35 116.67 126.85 3a42 s ASP 138 Ca 0.70 1.74 0.19 0.00 0.43 0.00 0.00 52.55 55.61 3a42 s ASP 138 Cb -0.47 -2.53 1.05 0.00 -0.30 0.00 0.00 42.92 40.68 3a42 s ASP 138 CO 0.51 -1.45 1.57 0.49 -0.17 0.00 0.00 175.17 176.13 3a42 n PHE 139 N 9.28 0.66 -0.08 -5.34 0.99 -0.30 -0.99 117.46 121.67 3a42 n PHE 139 Ca 0.22 0.34 -0.12 0.00 -0.00 0.00 0.00 57.45 57.89 3a42 n PHE 139 Cb 0.45 -1.01 -0.07 0.00 -1.00 0.00 0.00 39.48 37.84 3a42 n PHE 139 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.76 176.65 3a42 n LEU 140 N -2.19 2.76 0.14 4.37 -0.00 -1.26 -4.66 117.00 116.16 3a42 n LEU 140 Ca -0.01 -0.05 0.09 0.00 -0.00 0.00 0.00 56.01 56.04 3a42 n LEU 140 Cb 0.08 -0.57 0.06 0.00 -0.00 0.00 0.00 43.42 42.99 3a42 n LEU 140 CO 0.09 0.73 0.34 0.11 -0.00 0.00 0.00 177.39 178.65 3a42 h LYS 141 N -0.08 0.00 -5.04 1.96 1.57 -1.93 -3.38 116.57 109.66 3a42 h LYS 141 Ca -0.38 0.00 -0.68 0.00 -1.87 0.00 0.00 60.65 57.72 3a42 h LYS 141 Cb 1.55 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 33.68 3a42 h LYS 141 CO -0.09 0.10 -0.01 1.21 -0.57 0.00 0.00 179.45 180.10 3a42 s ASN 142 N -5.88 6.24 -0.05 0.86 3.04 -0.17 -4.85 114.94 114.15 3a42 s ASN 142 Ca 0.03 -0.70 0.07 0.00 0.04 0.00 0.00 52.86 52.30 3a42 s ASN 142 Cb 0.07 -2.28 0.29 0.00 -1.54 0.00 0.00 41.25 37.80 3a42 s ASN 142 CO 0.74 -0.77 1.10 -0.67 -3.04 0.00 0.00 177.10 174.46 3a42 n ASP 143 N 6.02 2.21 -2.69 -4.21 4.64 -1.26 -4.18 116.55 117.08 3a42 n ASP 143 Ca -0.05 -2.18 -0.07 0.00 -1.38 0.00 0.00 54.79 51.11 3a42 n ASP 143 Cb 0.47 -0.38 0.09 0.00 -1.04 0.00 0.00 41.12 40.26 3a42 n ASP 143 CO 0.00 0.00 0.00 -0.90 -0.82 0.00 0.00 177.20 175.48 3a42 n ASP 144 N 0.30 -0.81 -4.82 1.67 5.68 -1.26 -5.00 116.55 112.31 3a42 n ASP 144 Ca 0.10 -2.47 -0.32 0.00 -0.50 0.00 0.00 54.79 51.60 3a42 n ASP 144 Cb 0.43 0.50 0.01 0.00 -1.14 0.00 0.00 41.12 40.93 3a42 n ASP 144 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 3a42 s ILE 145 N -0.87 4.01 -1.01 2.12 1.01 -1.26 -4.98 121.20 120.23 3a42 s ILE 145 Ca 0.22 0.87 -0.05 0.00 0.00 0.00 0.00 60.65 61.69 3a42 s ILE 145 Cb 0.42 -3.46 0.25 0.00 0.01 0.00 0.00 42.46 39.68 3a42 s ILE 145 CO -0.06 -0.64 0.98 -0.67 0.00 0.00 0.00 174.94 174.54 3a42 n ASP 146 N -2.25 4.93 0.17 3.58 4.64 -1.26 -4.87 116.55 121.49 3a42 n ASP 146 Ca 0.08 -3.11 0.10 0.00 -1.38 0.00 0.00 54.79 50.48 3a42 n ASP 146 Cb 0.53 -1.21 0.54 0.00 -1.04 0.00 0.00 41.12 39.95 3a42 n ASP 146 CO 0.00 0.00 0.00 -0.29 -0.82 0.00 0.00 177.20 176.09 3a42 h ILE 147 N 3.80 0.00 -0.93 5.18 2.10 -1.93 -3.13 117.51 122.60 3a42 h ILE 147 Ca 0.17 0.00 0.13 0.00 1.08 0.00 0.00 64.86 66.24 3a42 h ILE 147 Cb 0.82 0.44 -0.07 0.00 -1.09 0.00 0.00 36.82 36.92 3a42 h ILE 147 CO 0.96 0.00 0.59 0.77 -1.08 0.00 0.00 178.15 179.39 3a42 h SER 148 N 0.00 0.77 0.00 2.19 4.64 -1.94 -2.43 113.55 116.78 3a42 h SER 148 Ca 0.00 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3a42 h SER 148 Cb 0.22 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 3a42 h SER 148 CO 0.00 0.40 0.00 2.29 -0.87 0.00 0.00 176.83 178.65 3a42 n LYS 149 N -4.58 0.00 0.19 4.77 2.85 -1.18 -1.90 118.16 118.31 3a42 n LYS 149 Ca 0.18 0.00 0.05 0.00 -1.05 0.00 0.00 58.31 57.49 3a42 n LYS 149 Cb 0.41 -1.34 0.36 0.00 -0.65 0.00 0.00 35.03 33.80 3a42 n LYS 149 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 177.40 178.17 3a42 h ILE 150 N 0.00 0.93 -0.59 0.58 2.04 -1.73 -3.10 117.51 115.64 3a42 h ILE 150 Ca 0.00 -1.47 -0.01 0.00 1.00 0.00 0.00 64.86 64.39 3a42 h ILE 150 Cb 0.00 1.88 -0.03 0.00 -0.74 0.00 0.00 36.82 37.93 3a42 h ILE 150 CO 0.00 0.36 0.35 0.11 0.00 0.00 0.00 178.15 178.97 3a42 h LYS 151 N 0.00 0.81 0.00 2.37 1.57 -1.37 -2.92 116.57 117.03 3a42 h LYS 151 Ca -0.00 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 3a42 h LYS 151 Cb 0.85 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.99 3a42 h LYS 151 CO 0.05 0.60 0.09 0.87 -0.57 0.00 0.00 179.45 180.49 3a42 h LYS 152 N 0.80 0.00 -5.15 3.15 1.79 -1.78 -3.15 116.57 112.24 3a42 h LYS 152 Ca 0.21 0.00 -0.62 0.00 -2.18 0.00 0.00 60.65 58.07 3a42 h LYS 152 Cb 0.01 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 30.51 3a42 h LYS 152 CO -0.04 0.00 -0.51 0.71 -1.08 0.00 0.00 179.45 178.53 3a42 s TYR 153 N -3.53 3.32 -0.54 -1.35 2.02 -1.10 -4.96 117.35 111.21 3a42 s TYR 153 Ca -0.02 0.20 -0.03 0.00 -0.37 0.00 0.00 57.07 56.85 3a42 s TYR 153 Cb 0.06 -2.22 0.14 0.00 -0.40 0.00 0.00 41.96 39.54 3a42 s TYR 153 CO 0.19 0.11 2.57 1.63 -1.57 0.00 0.00 175.55 178.47 3a42 n LYS 154 N 4.05 2.46 -4.03 -0.62 5.02 -1.26 -1.14 118.16 122.64 3a42 n LYS 154 Ca -0.15 -2.60 -0.09 0.00 -2.02 0.00 0.00 58.31 53.45 3a42 n LYS 154 Cb 0.52 -2.16 -0.11 0.00 -0.02 0.00 0.00 35.03 33.27 3a42 n LYS 154 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 3a42 s GLN 155 N -2.29 0.44 0.06 1.97 -2.07 -1.26 -4.93 119.66 111.58 3a42 s GLN 155 Ca 0.56 -0.83 -0.37 0.00 -1.82 0.00 0.00 55.36 52.91 3a42 s GLN 155 Cb 0.39 0.08 -0.19 0.00 -1.09 0.00 0.00 33.01 32.20 3a42 s GLN 155 CO -0.26 -0.05 0.94 -2.30 -1.32 0.00 0.00 175.29 172.30 3a42 n PRO 156 N 1.08 0.10 0.21 9.60 -0.02 -1.26 -1.65 135.00 143.05 3a42 n PRO 156 Ca -0.20 0.03 0.14 0.00 -2.02 0.00 0.00 63.50 61.45 3a42 n PRO 156 Cb 0.57 -1.41 0.76 0.00 -0.02 0.00 0.00 33.50 33.40 3a42 n PRO 156 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 3a42 h ILE 157 N 2.49 0.71 0.71 4.25 6.09 -0.83 -1.75 117.51 129.17 3a42 h ILE 157 Ca -0.45 0.00 -0.03 0.00 -1.37 0.00 0.00 64.86 63.01 3a42 h ILE 157 Cb 1.43 0.91 0.01 0.00 0.47 0.00 0.00 36.82 39.63 3a42 h ILE 157 CO 0.64 0.00 -0.34 0.58 -3.07 0.00 0.00 178.15 175.96 3a42 h VAL 158 N 0.00 0.00 -0.89 2.19 2.07 -1.80 -2.49 116.25 115.34 3a42 h VAL 158 Ca 0.07 -0.17 0.19 0.00 0.82 0.00 0.00 66.70 67.62 3a42 h VAL 158 Cb 0.32 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 29.97 3a42 h VAL 158 CO -0.00 0.00 0.42 0.00 0.02 0.00 0.00 177.57 178.01 3a42 h ALA 159 N -1.40 1.40 0.00 1.67 0.00 -1.73 0.97 119.26 120.18 3a42 h ALA 159 Ca -0.10 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3a42 h ALA 159 Cb 0.73 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 3a42 h ALA 159 CO 0.16 -0.24 -0.12 -0.07 0.00 0.00 0.00 179.25 178.98 3a42 h LEU 160 N 0.50 0.00 0.00 0.00 3.38 -1.25 -0.14 115.31 117.81 3a42 h LEU 160 Ca 0.53 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 58.18 3a42 h LEU 160 Cb 0.91 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.60 3a42 h LEU 160 CO -0.46 0.12 -2.01 0.18 0.09 0.00 0.00 178.44 176.36 3a42 n LEU 161 N -3.93 0.46 0.15 1.67 4.77 -0.03 -4.02 117.00 116.07 3a42 n LEU 161 Ca -0.02 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 3a42 n LEU 161 Cb 0.21 0.32 0.22 0.00 -2.33 0.00 0.00 43.42 41.84 3a42 n LEU 161 CO 0.32 0.42 0.56 0.24 -1.33 0.00 0.00 177.39 177.60 3a42 h MET 162 N 0.00 0.00 -6.97 3.23 2.86 -0.67 -3.41 114.93 109.98 3a42 h MET 162 Ca -0.40 0.00 -0.54 0.00 -2.06 0.00 0.00 59.70 56.70 3a42 h MET 162 Cb 2.09 0.00 0.11 0.00 0.06 0.00 0.00 31.60 33.86 3a42 h MET 162 CO 0.05 0.54 0.72 0.34 1.06 0.00 0.00 176.91 179.62 3a42 s ASP 163 N -6.78 6.12 0.00 1.22 -1.08 -0.08 -4.91 116.67 111.15 3a42 s ASP 163 Ca -0.01 2.93 0.25 0.00 -0.52 0.00 0.00 52.55 55.19 3a42 s ASP 163 Cb 0.13 -2.66 0.36 0.00 -1.46 0.00 0.00 42.92 39.29 3a42 s ASP 163 CO 0.74 -1.01 1.34 0.00 0.52 0.00 0.00 175.17 176.76 3a42 n GLN 164 N 0.10 1.68 0.00 4.34 1.13 -1.26 -4.60 117.38 118.76 3a42 n GLN 164 Ca 0.03 -1.29 0.00 0.00 -1.94 0.00 0.00 57.00 53.81 3a42 n GLN 164 Cb 0.41 -1.47 0.00 0.00 0.11 0.00 0.00 30.24 29.29 3a42 n GLN 164 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79 3a42 n LYS 165 N 0.46 0.57 -0.06 -1.09 3.00 -1.26 0.90 118.16 120.69 3a42 n LYS 165 Ca 0.13 0.00 -0.09 0.00 -0.00 0.00 0.00 58.31 58.36 3a42 n LYS 165 Cb 0.48 -0.93 -0.02 0.00 0.00 0.00 0.00 35.03 34.56 3a42 n LYS 165 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 3a42 h LYS 166 N 0.00 -0.28 0.00 1.64 1.57 -1.88 -3.34 116.57 114.27 3a42 h LYS 166 Ca 0.00 0.02 -0.13 0.00 -1.87 0.00 0.00 60.65 58.67 3a42 h LYS 166 Cb 0.85 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.21 3a42 h LYS 166 CO 0.00 -0.19 -1.45 -0.89 -0.57 0.00 0.00 179.45 176.35 3a42 n ILE 167 N -5.40 0.45 -3.68 1.86 -0.00 -1.26 -5.04 119.36 106.28 3a42 n ILE 167 Ca -0.01 -0.13 -0.04 0.00 -0.00 0.00 0.00 62.75 62.57 3a42 n ILE 167 Cb 0.32 -1.33 -0.01 0.00 -0.00 0.00 0.00 39.64 38.61 3a42 n ILE 167 CO 0.00 0.00 0.00 -0.83 -0.00 0.00 0.00 176.55 175.72 3a42 s GLY 168 N -5.01 -0.31 0.17 7.39 0.00 -1.26 -4.31 107.32 103.99 3a42 s GLY 168 Ca -0.11 0.43 0.08 0.00 0.00 0.00 0.00 44.72 45.12 3a42 s GLY 168 CO 0.15 0.10 -0.06 -1.35 0.00 0.00 0.00 173.10 171.94 3a42 s SER 169 N -2.84 4.44 0.00 1.64 1.04 0.15 -4.22 113.70 113.91 3a42 s SER 169 Ca 0.11 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 56.04 3a42 s SER 169 Cb -0.00 -0.83 0.00 0.00 0.10 0.00 0.00 66.02 65.29 3a42 s SER 169 CO -0.01 0.11 0.00 0.61 0.98 0.00 0.00 173.24 174.93 3a42 n GLY 170 N 0.05 1.26 3.76 7.32 0.00 -1.26 -1.15 105.19 115.17 3a42 n GLY 170 Ca -0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 3a42 n GLY 170 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a42 s LEU 171 N 0.00 4.55 0.00 0.99 1.02 -1.26 -0.36 118.68 123.61 3a42 s LEU 171 Ca 0.00 2.17 0.00 0.00 0.02 0.00 0.00 54.13 56.32 3a42 s LEU 171 Cb 0.00 -3.67 0.00 0.00 0.02 0.00 0.00 46.19 42.54 3a42 s LEU 171 CO 0.00 -0.09 0.00 0.61 0.02 0.00 0.00 176.35 176.89 3a42 n GLY 172 N 1.20 5.90 0.32 -3.19 0.00 -1.26 -4.69 105.19 103.47 3a42 n GLY 172 Ca -0.01 -1.67 -0.08 0.00 0.00 0.00 0.00 46.02 44.26 3a42 n GLY 172 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3a42 h ASN 173 N 0.00 -0.99 0.88 1.61 -1.24 -1.96 -1.49 115.58 112.39 3a42 h ASN 173 Ca 0.00 0.17 -0.23 0.00 0.71 0.00 0.00 56.30 56.95 3a42 h ASN 173 Cb 0.00 0.46 -0.02 0.00 0.73 0.00 0.00 38.32 39.49 3a42 h ASN 173 CO 0.00 -0.32 -1.10 0.10 -1.29 0.00 0.00 177.43 174.83 3a42 h TYR 174 N -0.27 0.13 0.00 0.67 -0.00 -1.97 -2.96 116.97 112.56 3a42 h TYR 174 Ca 0.15 -0.09 -0.00 0.00 -0.00 0.00 0.00 58.73 58.79 3a42 h TYR 174 Cb 0.52 -0.01 0.00 0.00 -0.00 0.00 0.00 36.73 37.25 3a42 h TYR 174 CO -0.48 1.08 -0.00 -0.07 -0.00 0.00 0.00 178.16 178.68 3a42 h LEU 175 N 0.02 -0.00 0.01 0.10 3.38 -1.93 0.84 115.31 117.73 3a42 h LEU 175 Ca -0.06 -0.34 0.02 0.00 0.09 0.00 0.00 57.88 57.59 3a42 h LEU 175 Cb 1.83 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.55 3a42 h LEU 175 CO 0.15 0.34 -0.16 0.58 0.09 0.00 0.00 178.44 179.44 3a42 h VAL 176 N -0.35 0.61 -0.19 1.22 2.07 -1.39 0.57 116.25 118.80 3a42 h VAL 176 Ca -0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 3a42 h VAL 176 Cb 0.34 0.61 -0.05 0.00 -1.52 0.00 0.00 31.29 30.68 3a42 h VAL 176 CO 0.00 0.00 -0.11 0.00 0.02 0.00 0.00 177.57 177.48 3a42 h ALA 177 N 0.65 0.04 -0.34 1.67 0.00 -1.50 0.89 119.26 120.66 3a42 h ALA 177 Ca 0.05 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3a42 h ALA 177 Cb 0.33 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3a42 h ALA 177 CO -0.15 -0.54 0.18 0.93 0.00 0.00 0.00 179.25 179.67 3a42 h GLU 178 N -0.11 0.48 0.02 0.00 4.39 -0.40 -2.12 114.58 116.85 3a42 h GLU 178 Ca 0.11 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.75 3a42 h GLU 178 Cb 0.27 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 3a42 h GLU 178 CO -0.26 0.41 -0.01 0.82 -1.16 0.00 0.00 179.01 178.82 3a42 h ILE 179 N 0.43 0.98 -0.33 3.13 2.04 0.56 -2.60 117.51 121.72 3a42 h ILE 179 Ca 0.12 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.97 3a42 h ILE 179 Cb 0.08 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 3a42 h ILE 179 CO -0.02 0.00 0.18 -0.07 0.00 0.00 0.00 178.15 178.24 3a42 h LEU 180 N -0.03 0.40 -1.18 1.44 3.38 -0.78 -1.47 115.31 117.07 3a42 h LEU 180 Ca -0.00 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 3a42 h LEU 180 Cb 0.02 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3a42 h LEU 180 CO 0.00 0.33 -0.24 0.22 0.09 0.00 0.00 178.44 178.84 3a42 h TYR 181 N 0.46 0.30 -0.03 1.13 3.20 -1.02 0.10 116.97 121.11 3a42 h TYR 181 Ca 0.12 -0.05 -0.26 0.00 3.14 0.00 0.00 58.73 61.68 3a42 h TYR 181 Cb 0.02 -0.08 0.02 0.00 1.54 0.00 0.00 36.73 38.23 3a42 h TYR 181 CO 0.00 0.50 -0.99 0.00 -1.64 0.00 0.00 178.16 176.03 3a42 h ARG 182 N 0.25 0.71 0.00 1.82 2.47 -0.96 -2.93 114.38 115.74 3a42 h ARG 182 Ca 0.04 -0.73 0.00 0.00 -1.26 0.00 0.00 59.98 58.03 3a42 h ARG 182 Cb 0.57 0.20 0.00 0.00 -1.65 0.00 0.00 29.97 29.08 3a42 h ARG 182 CO 0.04 1.31 0.00 0.00 0.56 0.00 0.00 179.97 181.88 3a42 n ALA 183 N -2.64 2.07 -3.05 0.04 0.00 -0.70 -4.88 120.51 111.35 3a42 n ALA 183 Ca -0.10 -0.08 -0.22 0.00 0.00 0.00 0.00 53.44 53.03 3a42 n ALA 183 Cb 0.86 -1.37 0.04 0.00 0.00 0.00 0.00 19.45 18.97 3a42 n ALA 183 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3a42 n LYS 184 N -1.46 -5.06 -4.14 0.00 5.02 -0.06 -4.96 118.16 107.49 3a42 n LYS 184 Ca 0.06 0.89 -0.35 0.00 -2.02 0.00 0.00 58.31 56.90 3a42 n LYS 184 Cb 0.25 -5.72 -0.12 0.00 -0.02 0.00 0.00 35.03 29.42 3a42 n LYS 184 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3a42 s ILE 185 N -3.18 3.93 0.16 -0.18 1.01 -0.69 -0.50 121.20 121.75 3a42 s ILE 185 Ca 0.32 -0.33 -0.31 0.00 0.00 0.00 0.00 60.65 60.33 3a42 s ILE 185 Cb -0.14 -2.76 -0.11 0.00 0.01 0.00 0.00 42.46 39.46 3a42 s ILE 185 CO 0.40 0.44 1.74 -0.62 0.00 0.00 0.00 174.94 176.90 3a42 s ASP 186 N 0.86 6.43 0.59 3.58 3.68 -1.04 -4.69 116.67 126.09 3a42 s ASP 186 Ca 0.00 2.77 0.29 0.00 2.13 0.00 0.00 52.55 57.75 3a42 s ASP 186 Cb -0.14 -2.58 1.50 0.00 -1.45 0.00 0.00 42.92 40.24 3a42 s ASP 186 CO 0.02 -0.96 1.92 1.55 0.13 0.00 0.00 175.17 177.83 3a42 h PRO 187 N 7.61 0.00 0.00 4.34 0.13 -1.93 -1.02 132.00 141.13 3a42 h PRO 187 Ca -0.44 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.66 3a42 h PRO 187 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 3a42 h PRO 187 CO 0.95 0.00 -0.12 0.45 -0.23 0.00 0.00 178.00 179.04 3a42 h HIS 188 N 0.00 0.00 -2.02 1.56 3.86 -1.97 -3.01 115.15 113.58 3a42 h HIS 188 Ca 0.20 0.00 -0.62 0.00 -1.16 0.00 0.00 60.37 58.78 3a42 h HIS 188 Cb 1.09 0.00 0.03 0.00 1.06 0.00 0.00 27.41 29.59 3a42 h HIS 188 CO 0.00 0.12 0.97 1.17 0.86 0.00 0.00 177.93 181.05 3a42 n LYS 189 N -3.23 2.00 -2.46 2.45 0.00 -0.39 -4.56 118.16 111.96 3a42 n LYS 189 Ca 0.01 0.73 -0.37 0.00 0.00 0.00 0.00 58.31 58.68 3a42 n LYS 189 Cb 0.41 -2.53 -0.03 0.00 0.00 0.00 0.00 35.03 32.88 3a42 n LYS 189 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 3a42 s LEU 190 N 3.02 4.14 0.58 3.14 1.02 -1.26 -0.64 118.68 128.67 3a42 s LEU 190 Ca 0.89 2.13 0.27 0.00 0.02 0.00 0.00 54.13 57.44 3a42 s LEU 190 Cb -0.75 -4.15 1.61 0.00 0.02 0.00 0.00 46.19 42.92 3a42 s LEU 190 CO 0.49 -0.57 2.10 1.23 0.02 0.00 0.00 176.35 179.63 3a42 h GLY 191 N 2.49 0.00 1.71 -3.19 0.00 -1.32 0.62 103.07 103.39 3a42 h GLY 191 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 3a42 h GLY 191 CO 0.62 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 176.02 3a42 n SER 192 N -3.92 0.00 -0.49 0.19 3.41 -0.29 -3.26 113.62 109.25 3a42 n SER 192 Ca 0.02 0.08 0.07 0.00 -0.26 0.00 0.00 58.87 58.78 3a42 n SER 192 Cb 0.32 -0.36 0.04 0.00 -0.26 0.00 0.00 64.21 63.95 3a42 n SER 192 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3a42 n ASN 193 N -1.36 1.95 -4.78 4.04 3.02 0.20 -4.98 115.26 113.35 3a42 n ASN 193 Ca 0.12 -1.48 -0.37 0.00 -0.03 0.00 0.00 54.58 52.82 3a42 n ASN 193 Cb 0.27 0.19 -0.05 0.00 -0.61 0.00 0.00 39.78 39.58 3a42 n ASN 193 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3a42 s LEU 194 N -1.53 4.20 0.24 3.41 1.02 -1.18 -4.98 118.68 119.86 3a42 s LEU 194 Ca 0.15 1.98 -0.01 0.00 0.02 0.00 0.00 54.13 56.27 3a42 s LEU 194 Cb 0.12 -4.14 -0.04 0.00 0.02 0.00 0.00 46.19 42.15 3a42 s LEU 194 CO 0.26 -0.36 0.44 0.42 0.02 0.00 0.00 176.35 177.13 3a42 s THR 195 N -1.66 5.16 0.56 5.49 -4.23 -1.26 -4.90 115.64 114.80 3a42 s THR 195 Ca 0.55 -0.32 0.35 0.00 -1.18 0.00 0.00 61.69 61.09 3a42 s THR 195 Cb -0.21 -3.75 0.52 0.00 1.34 0.00 0.00 72.50 70.39 3a42 s THR 195 CO 0.26 -0.26 1.78 0.44 -0.54 0.00 0.00 174.62 176.30 3a42 h ASP 196 N 1.74 0.00 0.53 3.99 5.19 -1.99 0.16 116.42 126.05 3a42 h ASP 196 Ca -0.48 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 55.90 3a42 h ASP 196 Cb 1.20 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.71 3a42 h ASP 196 CO 0.66 0.00 -0.25 -0.61 -3.12 0.00 0.00 179.24 175.92 3a42 h GLN 197 N 0.00 -0.69 -0.92 3.56 5.75 -1.99 -1.92 115.11 118.91 3a42 h GLN 197 Ca 0.50 0.05 0.15 0.00 -0.15 0.00 0.00 58.65 59.20 3a42 h GLN 197 Cb 2.15 0.16 -0.09 0.00 1.07 0.00 0.00 27.48 30.77 3a42 h GLN 197 CO -0.01 -0.46 0.53 0.93 -2.65 0.00 0.00 178.83 177.17 3a42 h GLU 198 N -0.95 0.73 0.46 1.69 5.08 -1.33 0.08 114.58 120.33 3a42 h GLU 198 Ca -0.07 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 3a42 h GLU 198 Cb 0.54 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 3a42 h GLU 198 CO 0.12 0.49 -0.42 0.82 -1.00 0.00 0.00 179.01 179.01 3a42 h ILE 199 N 0.76 0.15 0.00 3.13 5.03 -0.75 0.71 117.51 126.53 3a42 h ILE 199 Ca 0.49 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 65.23 3a42 h ILE 199 Cb 0.65 0.15 0.00 0.00 -3.03 0.00 0.00 36.82 34.59 3a42 h ILE 199 CO -0.33 0.00 0.00 1.05 -0.68 0.00 0.00 178.15 178.19 3a42 h GLU 200 N -0.89 0.00 0.24 2.37 4.11 -0.81 0.24 114.58 119.84 3a42 h GLU 200 Ca -0.05 0.00 -0.33 0.00 0.07 0.00 0.00 59.36 59.05 3a42 h GLU 200 Cb 0.78 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.06 3a42 h GLU 200 CO -0.05 0.00 -1.51 -0.97 0.07 0.00 0.00 179.01 176.55 3a42 h ASN 201 N 0.00 0.79 -0.11 3.06 -1.24 0.06 -3.08 115.58 115.06 3a42 h ASN 201 Ca 0.00 -0.93 -0.02 0.00 0.71 0.00 0.00 56.30 56.07 3a42 h ASN 201 Cb 0.30 -0.26 -0.00 0.00 0.73 0.00 0.00 38.32 39.09 3a42 h ASN 201 CO 0.00 1.72 0.00 0.25 -1.29 0.00 0.00 177.43 178.11 3a42 h LEU 202 N 0.11 0.19 -2.12 0.34 5.85 0.15 -1.92 115.31 117.91 3a42 h LEU 202 Ca -0.27 -0.30 0.05 0.00 0.84 0.00 0.00 57.88 58.20 3a42 h LEU 202 Cb 2.14 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 43.11 3a42 h LEU 202 CO 0.25 0.44 0.31 -0.25 -0.34 0.00 0.00 178.44 178.85 3a42 h TRP 203 N -0.06 0.00 0.03 1.25 -0.00 -1.09 -0.46 115.95 115.61 3a42 h TRP 203 Ca 0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 58.89 58.92 3a42 h TRP 203 Cb 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.50 3a42 h TRP 203 CO 0.03 0.00 -0.01 -0.92 -0.00 0.00 0.00 178.44 177.54 3a42 h TYR 204 N 0.00 -0.03 0.00 2.65 3.20 -1.27 -3.13 116.97 118.39 3a42 h TYR 204 Ca 0.09 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.89 3a42 h TYR 204 Cb 0.71 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.98 3a42 h TYR 204 CO 0.00 0.69 -0.33 -1.49 -1.64 0.00 0.00 178.16 175.39 3a42 h TRP 205 N -0.88 0.00 0.07 -3.82 4.06 -0.88 -0.76 115.95 113.74 3a42 h TRP 205 Ca -0.00 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.94 3a42 h TRP 205 Cb 0.73 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.90 3a42 h TRP 205 CO 0.19 0.33 -0.03 0.82 -3.56 0.00 0.00 178.44 176.18 3a42 h ILE 206 N 0.00 1.04 -0.13 1.49 2.04 -1.23 0.25 117.51 120.96 3a42 h ILE 206 Ca -0.00 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.49 3a42 h ILE 206 Cb 0.71 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 38.06 3a42 h ILE 206 CO 0.04 0.09 0.08 0.11 0.00 0.00 0.00 178.15 178.48 3a42 h LYS 207 N -0.26 0.16 0.01 2.37 1.57 -1.45 -0.94 116.57 118.04 3a42 h LYS 207 Ca -0.01 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.78 3a42 h LYS 207 Cb 0.22 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.47 3a42 h LYS 207 CO 0.02 0.11 -0.13 -0.92 -0.57 0.00 0.00 179.45 177.96 3a42 h TYR 208 N 0.17 -0.32 -0.33 -1.35 3.20 -1.02 -1.02 116.97 116.30 3a42 h TYR 208 Ca 0.05 0.01 -0.15 0.00 3.14 0.00 0.00 58.73 61.78 3a42 h TYR 208 Cb -0.01 0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 3a42 h TYR 208 CO -0.08 -0.19 -0.40 0.93 -1.64 0.00 0.00 178.16 176.79 3a42 h GLU 209 N -0.22 0.80 -0.21 1.82 4.39 -0.43 -1.15 114.58 119.59 3a42 h GLU 209 Ca 0.04 -0.42 -0.12 0.00 0.34 0.00 0.00 59.36 59.20 3a42 h GLU 209 Cb 0.27 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 3a42 h GLU 209 CO -0.12 1.05 -0.39 1.79 -1.16 0.00 0.00 179.01 180.19 3a42 h THR 210 N 0.66 1.30 -0.15 1.13 1.35 -1.09 -0.35 112.91 115.76 3a42 h THR 210 Ca 0.05 -1.53 -0.15 0.00 -0.55 0.00 0.00 66.41 64.23 3a42 h THR 210 Cb 0.96 1.57 0.00 0.00 -1.73 0.00 0.00 68.15 68.96 3a42 h THR 210 CO 0.09 0.48 -0.48 0.50 -0.25 0.00 0.00 175.52 175.85 3a42 h LYS 211 N 0.39 0.60 -0.51 4.72 3.64 -1.11 -1.74 116.57 122.56 3a42 h LYS 211 Ca 0.04 -0.44 -0.02 0.00 -1.27 0.00 0.00 60.65 58.96 3a42 h LYS 211 Cb 0.86 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.73 3a42 h LYS 211 CO 0.07 1.06 0.24 1.25 -2.27 0.00 0.00 179.45 179.80 3a42 h LEU 212 N 0.25 0.68 -0.19 5.20 5.85 -1.10 0.18 115.31 126.17 3a42 h LEU 212 Ca -0.02 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.57 3a42 h LEU 212 Cb 1.11 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.95 3a42 h LEU 212 CO 0.10 0.62 0.13 0.00 -0.34 0.00 0.00 178.44 178.95 3a42 h ALA 213 N 1.08 0.24 -0.70 1.25 0.00 -1.05 -2.00 119.26 118.09 3a42 h ALA 213 Ca 0.18 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3a42 h ALA 213 Cb 0.13 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3a42 h ALA 213 CO -0.02 -0.28 0.33 -0.92 0.00 0.00 0.00 179.25 178.36 3a42 h TYR 214 N 0.26 0.98 0.00 0.00 3.20 -1.10 -2.24 116.97 118.07 3a42 h TYR 214 Ca 0.07 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.90 3a42 h TYR 214 Cb -0.03 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 37.93 3a42 h TYR 214 CO -0.07 0.72 0.00 -0.25 -1.64 0.00 0.00 178.16 176.92 3a42 n ASP 215 N -4.33 0.00 -4.78 -2.11 8.00 0.03 -4.84 116.55 108.52 3a42 n ASP 215 Ca 0.07 0.40 -0.37 0.00 0.71 0.00 0.00 54.79 55.60 3a42 n ASP 215 Cb 0.13 -0.46 -0.05 0.00 -0.02 0.00 0.00 41.12 40.72 3a42 n ASP 215 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3a42 s SER 216 N -2.93 7.08 0.16 -2.24 0.01 -0.79 -4.95 113.70 110.04 3a42 s SER 216 Ca 0.14 1.95 -0.16 0.00 1.31 0.00 0.00 55.95 59.19 3a42 s SER 216 Cb 0.16 -2.58 0.09 0.00 0.21 0.00 0.00 66.02 63.90 3a42 s SER 216 CO 0.44 -0.26 1.70 -1.13 0.41 0.00 0.00 173.24 174.40 3a42 h ASN 217 N 2.91 -0.15 -5.18 2.44 -0.73 -1.88 -3.45 115.58 109.54 3a42 h ASN 217 Ca -0.47 0.09 -0.03 0.00 1.87 0.00 0.00 56.30 57.75 3a42 h ASN 217 Cb 1.20 0.15 -0.08 0.00 0.27 0.00 0.00 38.32 39.87 3a42 h ASN 217 CO 0.64 -0.04 -0.02 -1.38 -0.37 0.00 0.00 177.43 176.27 3a42 s HIS 218 N -6.18 0.23 -0.07 0.67 -3.43 -1.26 -4.72 115.29 100.53 3a42 s HIS 218 Ca -0.13 -0.63 0.03 0.00 -0.80 0.00 0.00 55.06 53.53 3a42 s HIS 218 Cb 0.13 0.34 -0.06 0.00 -1.43 0.00 0.00 32.58 31.56 3a42 s HIS 218 CO 0.71 -1.08 -0.03 -0.89 -2.00 0.00 0.00 174.74 171.44 3a42 n ILE 219 N -0.41 0.45 0.00 -5.38 2.08 -1.26 -4.80 119.36 110.03 3a42 n ILE 219 Ca -0.02 -0.21 0.00 0.00 0.56 0.00 0.00 62.75 63.07 3a42 n ILE 219 Cb 0.61 -0.80 0.00 0.00 -0.75 0.00 0.00 39.64 38.70 3a42 n ILE 219 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3a42 n GLY 220 N 2.91 -0.91 4.00 7.39 0.00 -1.26 -5.05 105.19 112.28 3a42 n GLY 220 Ca -0.13 0.30 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 3a42 n GLY 220 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3a42 s TYR 221 N 0.00 2.07 0.00 1.61 2.02 -1.26 -4.10 117.35 117.69 3a42 s TYR 221 Ca 0.00 -0.32 0.00 0.00 -0.37 0.00 0.00 57.07 56.38 3a42 s TYR 221 Cb 0.00 -2.67 0.00 0.00 -0.40 0.00 0.00 41.96 38.89 3a42 s TYR 221 CO 0.00 -1.18 0.00 -1.33 -1.57 0.00 0.00 175.55 171.47 3a42 n MET 222 N -2.43 0.00 0.27 -0.62 2.81 -1.26 -4.83 117.12 111.06 3a42 n MET 222 Ca 0.12 0.00 0.18 0.00 -1.81 0.00 0.00 57.70 56.19 3a42 n MET 222 Cb 0.60 -2.15 0.88 0.00 -0.71 0.00 0.00 33.22 31.84 3a42 n MET 222 CO 0.00 0.00 0.00 -0.24 1.51 0.00 0.00 175.97 177.24 3a42 h VAL 223 N 0.00 0.00 0.00 2.03 3.04 -1.93 0.38 116.25 119.77 3a42 h VAL 223 Ca 0.00 -0.16 0.00 0.00 -1.01 0.00 0.00 66.70 65.53 3a42 h VAL 223 Cb 0.00 1.03 0.00 0.00 -2.01 0.00 0.00 31.29 30.31 3a42 h VAL 223 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.57 177.15 3a42 n ASN 224 N -2.82 0.14 -0.11 3.17 5.03 -1.26 -2.64 115.26 116.77 3a42 n ASN 224 Ca -0.01 0.52 0.09 0.00 0.87 0.00 0.00 54.58 56.05 3a42 n ASN 224 Cb 0.14 -0.56 0.12 0.00 -1.02 0.00 0.00 39.78 38.47 3a42 n ASN 224 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 3a42 n LEU 225 N -1.64 2.11 0.26 3.41 4.77 0.11 -4.60 117.00 121.41 3a42 n LEU 225 Ca 0.05 -2.85 0.13 0.00 -0.03 0.00 0.00 56.01 53.31 3a42 n LEU 225 Cb 0.26 -0.37 0.67 0.00 -2.33 0.00 0.00 43.42 41.64 3a42 n LEU 225 CO 0.20 0.66 0.93 1.05 -1.33 0.00 0.00 177.39 178.90 3a42 h GLU 226 N 0.00 0.00 0.10 3.23 4.11 -1.37 0.34 114.58 120.98 3a42 h GLU 226 Ca 0.00 0.00 -0.28 0.00 0.07 0.00 0.00 59.36 59.15 3a42 h GLU 226 Cb 1.02 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 3a42 h GLU 226 CO 0.00 0.14 -1.36 -0.91 0.07 0.00 0.00 179.01 176.95 3a42 h ASN 227 N 0.00 0.33 0.02 3.06 -0.26 -1.87 -2.69 115.58 114.18 3a42 h ASN 227 Ca -0.00 -0.40 -0.24 0.00 -0.56 0.00 0.00 56.30 55.10 3a42 h ASN 227 Cb 0.46 -0.11 0.01 0.00 -1.06 0.00 0.00 38.32 37.63 3a42 h ASN 227 CO 0.02 1.33 -0.91 -0.33 -1.06 0.00 0.00 177.43 176.48 3a42 h GLU 228 N 0.06 0.67 -0.52 0.81 3.07 -1.84 -3.01 114.58 113.82 3a42 h GLU 228 Ca -0.17 -0.64 -0.02 0.00 -0.50 0.00 0.00 59.36 58.03 3a42 h GLU 228 Cb 1.97 0.16 -0.03 0.00 -0.84 0.00 0.00 28.75 30.01 3a42 h GLU 228 CO 0.17 1.24 0.26 1.03 -1.40 0.00 0.00 179.01 180.31 3a42 h SER 229 N 0.41 0.65 0.96 1.42 0.87 -0.40 -1.06 113.55 116.41 3a42 h SER 229 Ca -0.09 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.42 3a42 h SER 229 Cb 1.54 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 63.34 3a42 h SER 229 CO 0.18 0.55 -0.13 -1.54 -0.53 0.00 0.00 176.83 175.36 3a42 n SER 230 N -4.38 0.24 -0.99 6.23 3.41 -1.01 -3.33 113.62 113.79 3a42 n SER 230 Ca 0.04 0.35 0.10 0.00 -0.26 0.00 0.00 58.87 59.10 3a42 n SER 230 Cb 0.12 -0.36 0.19 0.00 -0.26 0.00 0.00 64.21 63.90 3a42 n SER 230 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3a42 n LYS 231 N -1.64 2.33 -4.87 4.33 5.02 -0.47 -4.94 118.16 117.93 3a42 n LYS 231 Ca 0.06 -2.13 -0.30 0.00 -2.02 0.00 0.00 58.31 53.92 3a42 n LYS 231 Cb 0.36 -1.44 -0.15 0.00 -0.02 0.00 0.00 35.03 33.78 3a42 n LYS 231 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 3a42 s ILE 232 N -1.29 2.15 0.00 -0.18 2.07 -0.81 -5.06 121.20 118.10 3a42 s ILE 232 Ca 0.33 -1.42 0.00 0.00 -1.41 0.00 0.00 60.65 58.15 3a42 s ILE 232 Cb 0.19 -1.84 0.00 0.00 0.13 0.00 0.00 42.46 40.94 3a42 s ILE 232 CO 0.27 0.34 0.00 0.61 -1.91 0.00 0.00 174.94 174.25 3a42 n GLY 233 N 1.70 -2.25 3.16 1.50 0.00 -1.26 -4.95 105.19 103.10 3a42 n GLY 233 Ca -0.17 -1.39 -0.13 0.00 0.00 0.00 0.00 46.02 44.33 3a42 n GLY 233 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3a42 s ARG 234 N -0.27 0.32 0.35 1.61 3.52 -1.26 -5.09 118.95 118.13 3a42 s ARG 234 Ca 0.00 0.45 -0.26 0.00 -0.13 0.00 0.00 55.73 55.78 3a42 s ARG 234 Cb 0.00 0.11 -0.09 0.00 -1.56 0.00 0.00 34.95 33.41 3a42 s ARG 234 CO 0.00 -0.07 1.10 0.15 -0.81 0.00 0.00 175.30 175.67 3a42 s LYS 235 N 0.41 4.33 -1.51 5.12 1.02 -1.26 -4.93 119.74 122.91 3a42 s LYS 235 Ca -0.02 1.71 -0.12 0.00 0.02 0.00 0.00 55.97 57.56 3a42 s LYS 235 Cb -0.04 -2.83 -0.02 0.00 -0.52 0.00 0.00 37.83 34.43 3a42 s LYS 235 CO -0.02 -0.05 2.51 -1.71 -0.92 0.00 0.00 175.35 175.17 3a42 n ASN 236 N 0.46 5.77 -4.77 2.83 5.15 -1.26 -4.95 115.26 118.49 3a42 n ASN 236 Ca 0.02 -2.72 -0.38 0.00 -0.60 0.00 0.00 54.58 50.90 3a42 n ASN 236 Cb 0.47 -1.60 -0.03 0.00 -0.53 0.00 0.00 39.78 38.09 3a42 n ASN 236 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 3a42 s TYR 237 N 2.84 3.18 -1.03 1.20 2.02 -1.26 -3.40 117.35 120.89 3a42 s TYR 237 Ca 0.56 1.59 -0.17 0.00 -0.37 0.00 0.00 57.07 58.69 3a42 s TYR 237 Cb 0.16 -3.32 0.01 0.00 -0.40 0.00 0.00 41.96 38.40 3a42 s TYR 237 CO -0.07 -1.07 0.71 0.72 -1.57 0.00 0.00 175.55 174.27 3a42 n HIS 238 N 0.19 -1.95 0.00 2.71 8.25 -1.26 -4.79 115.22 118.37 3a42 n HIS 238 Ca 0.04 0.54 0.00 0.00 -0.26 0.00 0.00 57.72 58.03 3a42 n HIS 238 Cb 0.47 -3.20 0.00 0.00 1.12 0.00 0.00 29.99 28.38 3a42 n HIS 238 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 3a42 n PRO 239 N -3.71 0.00 -0.03 -0.41 -0.04 -1.22 -2.89 135.00 126.71 3a42 n PRO 239 Ca -0.14 0.09 -0.01 0.00 -0.04 0.00 0.00 63.50 63.40 3a42 n PRO 239 Cb 0.60 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.50 3a42 n PRO 239 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3a42 n ASN 240 N -1.08 3.25 -4.70 3.54 5.03 -1.26 -4.93 115.26 115.10 3a42 n ASN 240 Ca 0.00 0.00 -0.42 0.00 0.87 0.00 0.00 54.58 55.03 3a42 n ASN 240 Cb 0.00 0.88 -0.03 0.00 -1.02 0.00 0.00 39.78 39.61 3a42 n ASN 240 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3a42 s ILE 241 N -2.28 4.89 -0.49 2.41 1.09 -1.14 -5.01 121.20 120.67 3a42 s ILE 241 Ca -0.03 1.87 0.03 0.00 -1.10 0.00 0.00 60.65 61.42 3a42 s ILE 241 Cb 0.03 -4.24 0.14 0.00 -1.06 0.00 0.00 42.46 37.34 3a42 s ILE 241 CO 0.30 0.12 0.29 -1.00 -0.10 0.00 0.00 174.94 174.55 3a42 s HIS 242 N 1.39 2.35 0.42 3.97 3.76 -1.26 -4.98 115.29 120.95 3a42 s HIS 242 Ca 0.46 -2.69 -0.22 0.00 -0.15 0.00 0.00 55.06 52.47 3a42 s HIS 242 Cb -0.19 -2.09 -0.14 0.00 1.11 0.00 0.00 32.58 31.27 3a42 s HIS 242 CO 0.21 -0.74 0.34 -2.30 -0.85 0.00 0.00 174.74 171.40 3a42 n PRO 243 N 3.17 0.31 -0.02 8.40 -0.02 -1.26 -4.93 135.00 140.65 3a42 n PRO 243 Ca 0.11 0.11 -0.21 0.00 -2.02 0.00 0.00 63.50 61.50 3a42 n PRO 243 Cb 0.35 -1.29 -0.13 0.00 -0.02 0.00 0.00 33.50 32.41 3a42 n PRO 243 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3a42 h THR 244 N 0.55 0.98 -4.05 3.45 2.02 -1.99 -3.47 112.91 110.40 3a42 h THR 244 Ca -0.39 -2.34 -0.50 0.00 0.77 0.00 0.00 66.41 63.95 3a42 h THR 244 Cb 1.42 2.61 0.06 0.00 -1.74 0.00 0.00 68.15 70.50 3a42 h THR 244 CO 0.49 0.64 0.45 -1.83 0.37 0.00 0.00 175.52 175.64 3a42 s GLU 245 N -2.45 3.55 0.31 6.66 1.03 -1.26 -4.94 118.70 121.61 3a42 s GLU 245 Ca -0.22 1.65 0.24 0.00 0.03 0.00 0.00 54.97 56.67 3a42 s GLU 245 Cb 0.05 -2.17 0.41 0.00 -0.80 0.00 0.00 34.13 31.61 3a42 s GLU 245 CO 0.72 -0.69 1.54 1.57 -1.33 0.00 0.00 175.26 177.07 3a42 h LYS 246 N 1.57 0.00 -4.36 -4.83 5.09 -2.00 -3.46 116.57 108.58 3a42 h LYS 246 Ca -0.50 0.00 -0.21 0.00 0.09 0.00 0.00 60.65 60.03 3a42 h LYS 246 Cb 1.25 0.00 -0.19 0.00 0.10 0.00 0.00 32.23 33.39 3a42 h LYS 246 CO 0.58 0.00 -0.71 -2.00 -2.09 0.00 0.00 179.45 175.24 3a42 s GLU 247 N -3.20 0.54 -0.20 0.07 2.56 -1.26 -4.75 118.70 112.46 3a42 s GLU 247 Ca 0.07 -0.90 -0.27 0.00 0.00 0.00 0.00 54.97 53.87 3a42 s GLU 247 Cb 0.08 -0.08 -0.00 0.00 2.00 0.00 0.00 34.13 36.13 3a42 s GLU 247 CO 0.67 -0.02 0.92 0.12 -0.56 0.00 0.00 175.26 176.40 3a42 s PHE 248 N -2.26 3.38 -0.09 5.30 5.36 -1.26 -5.03 117.98 123.38 3a42 s PHE 248 Ca -0.05 1.34 0.05 0.00 -0.96 0.00 0.00 56.93 57.31 3a42 s PHE 248 Cb -0.04 -3.13 -0.00 0.00 -0.34 0.00 0.00 43.02 39.51 3a42 s PHE 248 CO -0.03 -0.35 -0.24 -0.51 -1.46 0.00 0.00 175.22 172.63 3a42 s ASP 249 N 1.21 3.12 -0.19 6.13 1.01 -1.26 -4.99 116.67 121.70 3a42 s ASP 249 Ca 0.41 -0.53 -0.29 0.00 0.71 0.00 0.00 52.55 52.84 3a42 s ASP 249 Cb -0.16 -1.23 -0.02 0.00 1.01 0.00 0.00 42.92 42.51 3a42 s ASP 249 CO 0.10 0.19 1.44 -0.36 0.21 0.00 0.00 175.17 176.74 3a42 s PHE 250 N 0.17 2.45 -0.08 4.23 0.08 -1.26 -4.88 117.98 118.69 3a42 s PHE 250 Ca -0.14 0.71 -0.08 0.00 0.12 0.00 0.00 56.93 57.54 3a42 s PHE 250 Cb -0.17 -3.80 -0.28 0.00 -0.57 0.00 0.00 43.02 38.21 3a42 s PHE 250 CO 0.07 -2.42 0.52 -0.07 -0.10 0.00 0.00 175.22 173.22 3a42 h LEU 251 N 10.61 0.49 0.00 -0.37 3.38 -1.98 -3.43 115.31 124.01 3a42 h LEU 251 Ca -0.31 -0.90 0.00 0.00 0.09 0.00 0.00 57.88 56.76 3a42 h LEU 251 Cb 1.13 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.72 3a42 h LEU 251 CO 0.99 1.79 -0.90 0.52 0.09 0.00 0.00 178.44 180.93 3a42 n VAL 252 N -3.51 0.00 -1.68 1.22 0.31 -1.26 -4.09 118.33 109.32 3a42 n VAL 252 Ca -0.28 0.00 -0.48 0.00 -0.01 0.00 0.00 64.34 63.57 3a42 n VAL 252 Cb 1.06 -0.87 -0.05 0.00 -0.91 0.00 0.00 33.84 33.07 3a42 n VAL 252 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3a42 n TYR 253 N -1.89 2.34 -2.20 3.52 9.36 -1.26 -1.36 117.16 125.67 3a42 n TYR 253 Ca 0.00 -0.00 -0.16 0.00 3.32 0.00 0.00 57.90 61.05 3a42 n TYR 253 Cb 0.45 -2.66 -0.02 0.00 -0.63 0.00 0.00 39.34 36.48 3a42 n TYR 253 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 3a42 n ARG 254 N 6.43 -1.82 -3.92 2.98 1.74 -1.26 -4.92 116.66 115.88 3a42 n ARG 254 Ca 0.22 0.84 -0.35 0.00 -0.77 0.00 0.00 57.85 57.79 3a42 n ARG 254 Cb 0.30 -5.39 -0.14 0.00 -1.02 0.00 0.00 32.46 26.21 3a42 n ARG 254 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3a42 s LYS 255 N -4.64 3.25 0.23 5.56 -0.14 -0.46 -5.01 119.74 118.52 3a42 s LYS 255 Ca 0.00 -0.71 -0.06 0.00 -1.36 0.00 0.00 55.97 53.84 3a42 s LYS 255 Cb 0.00 -2.99 0.38 0.00 -1.68 0.00 0.00 37.83 33.54 3a42 s LYS 255 CO 0.00 -0.24 1.74 1.57 -0.76 0.00 0.00 175.35 177.66 3a42 h LYS 256 N 8.09 0.44 -5.68 1.68 2.10 -1.86 -3.40 116.57 117.94 3a42 h LYS 256 Ca -0.40 -0.03 -0.50 0.00 -2.00 0.00 0.00 60.65 57.72 3a42 h LYS 256 Cb 1.15 -0.10 -0.25 0.00 -0.90 0.00 0.00 32.23 32.13 3a42 h LYS 256 CO 0.60 0.29 -0.81 0.15 -2.00 0.00 0.00 179.45 177.68 3a42 s LYS 257 N -6.05 1.11 0.82 0.07 1.02 -1.26 -1.02 119.74 114.43 3a42 s LYS 257 Ca -0.13 -0.87 -0.14 0.00 0.02 0.00 0.00 55.97 54.86 3a42 s LYS 257 Cb 0.19 -1.19 0.20 0.00 -0.52 0.00 0.00 37.83 36.51 3a42 s LYS 257 CO 0.76 0.29 0.91 -0.40 -0.92 0.00 0.00 175.35 176.00 3a42 n ASP 258 N 1.78 -0.81 0.00 2.83 5.75 0.11 -4.85 116.55 121.38 3a42 n ASP 258 Ca -0.18 -1.19 -0.10 0.00 -0.01 0.00 0.00 54.79 53.30 3a42 n ASP 258 Cb 0.54 -0.76 -0.07 0.00 -1.03 0.00 0.00 41.12 39.80 3a42 n ASP 258 CO 0.00 0.00 0.00 -0.65 -0.11 0.00 0.00 177.20 176.44 3a42 h PRO 259 N 0.00 -0.40 -0.01 0.11 0.11 -1.88 -2.13 132.00 127.80 3a42 h PRO 259 Ca -0.32 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.82 3a42 h PRO 259 Cb 0.91 0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.11 3a42 h PRO 259 CO 0.22 -0.26 0.00 0.09 -0.21 0.00 0.00 178.00 177.83 3a42 n ASN 260 N -4.51 0.01 0.00 -2.05 5.03 -1.26 -4.80 115.26 107.68 3a42 n ASN 260 Ca -0.04 -0.62 0.00 0.00 0.87 0.00 0.00 54.58 54.79 3a42 n ASN 260 Cb 0.26 -0.01 0.00 0.00 -1.02 0.00 0.00 39.78 39.01 3a42 n ASN 260 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3a42 n GLY 261 N -0.17 3.00 3.50 7.41 0.00 -0.80 -5.04 105.19 113.09 3a42 n GLY 261 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 3a42 n GLY 261 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3a42 n ASN 262 N 0.06 0.09 -4.77 1.61 4.13 -1.26 -4.38 115.26 110.74 3a42 n ASN 262 Ca 0.00 1.12 -0.37 0.00 1.68 0.00 0.00 54.58 57.01 3a42 n ASN 262 Cb 0.00 -1.14 -0.00 0.00 -1.54 0.00 0.00 39.78 37.09 3a42 n ASN 262 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 3a42 s LYS 263 N -1.36 3.69 -0.22 3.52 2.20 -1.26 0.09 119.74 126.40 3a42 s LYS 263 Ca 0.61 1.87 0.00 0.00 -0.36 0.00 0.00 55.97 58.09 3a42 s LYS 263 Cb -0.77 -2.41 0.03 0.00 -1.51 0.00 0.00 37.83 33.16 3a42 s LYS 263 CO 0.58 -0.63 -0.12 0.08 -0.36 0.00 0.00 175.35 174.89 3a42 s VAL 264 N -1.49 2.46 0.12 4.02 1.01 -0.19 -4.27 120.40 122.07 3a42 s VAL 264 Ca 0.64 -1.05 -0.28 0.00 0.00 0.00 0.00 61.98 61.30 3a42 s VAL 264 Cb -0.31 -2.19 -0.07 0.00 0.00 0.00 0.00 36.38 33.82 3a42 s VAL 264 CO 0.37 0.32 0.87 -0.51 0.00 0.00 0.00 175.10 176.15 3a42 s ILE 265 N 1.29 4.47 -0.46 2.22 2.07 -0.12 -4.77 121.20 125.91 3a42 s ILE 265 Ca 0.01 1.88 -0.04 0.00 -1.41 0.00 0.00 60.65 61.09 3a42 s ILE 265 Cb -0.15 -4.23 0.07 0.00 0.13 0.00 0.00 42.46 38.27 3a42 s ILE 265 CO -0.08 0.40 2.76 0.00 -1.91 0.00 0.00 174.94 176.11 3a42 n ALA 266 N 2.36 6.45 -0.80 1.50 0.00 -1.26 -2.85 120.51 125.91 3a42 n ALA 266 Ca -0.01 -3.05 -0.33 0.00 0.00 0.00 0.00 53.44 50.04 3a42 n ALA 266 Cb 0.49 -2.14 0.12 0.00 0.00 0.00 0.00 19.45 17.92 3a42 n ALA 266 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3a42 n ASP 267 N 0.85 -2.70 -3.21 0.00 4.64 -1.03 -4.66 116.55 110.45 3a42 n ASP 267 Ca 0.49 0.17 -0.22 0.00 -1.38 0.00 0.00 54.79 53.85 3a42 n ASP 267 Cb 0.55 -1.05 -0.07 0.00 -1.04 0.00 0.00 41.12 39.51 3a42 n ASP 267 CO 0.00 0.00 0.00 1.17 -0.82 0.00 0.00 177.20 177.55 3a42 n LYS 268 N -1.08 0.44 -4.47 -0.67 4.81 -1.26 -0.97 118.16 114.97 3a42 n LYS 268 Ca 0.04 -2.95 -0.34 0.00 -0.87 0.00 0.00 58.31 54.19 3a42 n LYS 268 Cb 0.57 -1.48 -0.12 0.00 0.02 0.00 0.00 35.03 34.02 3a42 n LYS 268 CO 0.00 0.00 0.00 0.96 1.17 0.00 0.00 177.40 179.53 3a42 s ILE 269 N -0.21 3.78 -0.51 3.15 -0.00 -1.26 -4.99 121.20 121.16 3a42 s ILE 269 Ca 0.33 -0.40 -0.04 0.00 -0.00 0.00 0.00 60.65 60.54 3a42 s ILE 269 Cb 0.09 -2.64 0.01 0.00 -0.00 0.00 0.00 42.46 39.92 3a42 s ILE 269 CO -0.16 0.51 0.08 0.00 -0.00 0.00 0.00 174.94 175.37 3a42 n ILE 270 N 3.42 -0.55 0.00 8.37 0.00 -1.26 -4.88 119.36 124.46 3a42 n ILE 270 Ca -0.18 -0.19 0.00 0.00 0.00 0.00 0.00 62.75 62.39 3a42 n ILE 270 Cb 0.53 -0.50 0.00 0.00 0.00 0.00 0.00 39.64 39.67 3a42 n ILE 270 CO 0.00 0.00 0.00 -2.11 0.00 0.00 0.00 176.55 174.44 3a42 n ARG 277 N -2.33 1.34 -2.78 9.51 1.85 -1.26 -5.06 116.66 117.94 3a42 n ARG 277 Ca -0.09 0.00 -0.41 0.00 -1.00 0.00 0.00 57.85 56.35 3a42 n ARG 277 Cb 0.23 0.00 -0.04 0.00 -1.05 0.00 0.00 32.46 31.61 3a42 n ARG 277 CO 0.00 0.00 0.00 -0.08 -0.01 0.00 0.00 177.63 177.54 3a42 s THR 278 N 0.00 4.83 -0.18 8.89 -1.32 -1.26 -4.73 115.64 121.86 3a42 s THR 278 Ca 0.00 1.94 -0.11 0.00 -1.21 0.00 0.00 61.69 62.32 3a42 s THR 278 Cb 0.00 -4.27 -0.05 0.00 -1.51 0.00 0.00 72.50 66.68 3a42 s THR 278 CO 0.00 0.21 0.17 -0.89 -2.21 0.00 0.00 174.62 171.90 3a42 s THR 279 N 0.75 5.39 -0.22 5.08 2.01 -0.14 -4.96 115.64 123.55 3a42 s THR 279 Ca 0.48 0.28 -0.10 0.00 0.31 0.00 0.00 61.69 62.66 3a42 s THR 279 Cb -0.21 -3.50 -0.05 0.00 0.01 0.00 0.00 72.50 68.75 3a42 s THR 279 CO 0.26 0.44 0.14 -0.31 -0.69 0.00 0.00 174.62 174.47 3a42 s TYR 280 N 0.28 3.36 0.12 4.92 2.02 -1.26 -2.46 117.35 124.32 3a42 s TYR 280 Ca 0.10 0.27 -0.14 0.00 -0.37 0.00 0.00 57.07 56.94 3a42 s TYR 280 Cb -0.12 -2.22 0.03 0.00 -0.40 0.00 0.00 41.96 39.26 3a42 s TYR 280 CO -0.00 0.17 0.35 1.67 -1.57 0.00 0.00 175.55 176.17 3a42 s TRP 281 N 0.72 -0.11 -0.47 2.71 1.48 -1.13 -4.72 118.94 117.42 3a42 s TRP 281 Ca 0.08 -0.24 -0.02 0.00 -1.06 0.00 0.00 56.10 54.87 3a42 s TRP 281 Cb -0.12 0.18 0.12 0.00 -1.16 0.00 0.00 33.47 32.49 3a42 s TRP 281 CO 0.01 -0.66 0.25 0.00 -4.06 0.00 0.00 176.95 172.49 3a42 s ALA 282 N -3.82 3.25 0.49 2.67 0.00 -1.26 -0.94 121.76 122.15 3a42 s ALA 282 Ca 0.04 -2.79 0.31 0.00 0.00 0.00 0.00 51.96 49.51 3a42 s ALA 282 Cb 0.03 -2.41 1.41 0.00 0.00 0.00 0.00 23.12 22.14 3a42 s ALA 282 CO -0.12 -1.89 1.79 -1.35 0.00 0.00 0.00 175.76 174.20 3a42 h PRO 283 N 7.61 0.12 -0.03 0.00 0.11 -1.81 0.49 132.00 138.50 3a42 h PRO 283 Ca -0.09 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.01 3a42 h PRO 283 Cb 1.01 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.09 3a42 h PRO 283 CO 0.68 0.08 -0.04 0.00 -0.21 0.00 0.00 178.00 178.52 3a42 h ALA 284 N 1.49 1.89 0.00 -0.75 0.00 -1.93 -3.28 119.26 116.68 3a42 h ALA 284 Ca 0.58 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 55.30 3a42 h ALA 284 Cb 2.02 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.76 3a42 h ALA 284 CO -0.11 0.08 -1.53 -0.89 0.00 0.00 0.00 179.25 176.80 3a42 n ILE 285 N -4.47 0.53 -3.19 0.00 -0.00 0.14 -4.96 119.36 107.41 3a42 n ILE 285 Ca -0.02 -0.33 -0.41 0.00 -0.00 0.00 0.00 62.75 61.99 3a42 n ILE 285 Cb 0.13 -0.78 -0.07 0.00 -0.00 0.00 0.00 39.64 38.92 3a42 n ILE 285 CO 0.00 0.00 0.00 -1.10 -0.00 0.00 0.00 176.55 175.45 3a42 s GLN 286 N -2.19 3.86 0.17 0.38 -0.21 0.37 -4.68 119.66 117.36 3a42 s GLN 286 Ca -0.04 0.15 0.08 0.00 0.02 0.00 0.00 55.36 55.57 3a42 s GLN 286 Cb 0.02 -3.73 -0.04 0.00 1.00 0.00 0.00 33.01 30.26 3a42 s GLN 286 CO 0.32 -0.53 -0.05 0.15 -2.12 0.00 0.00 175.29 173.06 3a42 s LYS 287 N 2.46 2.25 0.17 2.91 -0.14 0.35 -4.13 119.74 123.61 3a42 s LYS 287 Ca 0.22 -1.16 0.19 0.00 -1.36 0.00 0.00 55.97 53.86 3a42 s LYS 287 Cb -0.15 -2.28 -0.03 0.00 -1.68 0.00 0.00 37.83 33.69 3a42 s LYS 287 CO 0.12 0.45 1.05 -0.07 -0.76 0.00 0.00 175.35 176.13 3a42 h LEU 288 N 2.87 0.00 0.00 3.17 4.07 -1.90 -2.74 115.31 120.77 3a42 h LEU 288 Ca -0.47 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.49 3a42 h LEU 288 Cb 1.20 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.94 3a42 h LEU 288 CO 0.56 0.33 0.00 1.21 -1.08 0.00 0.00 178.44 179.46