#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1up4 s ILE 3 N 0.00 4.29 -0.13 5.15 1.01 -0.52 -1.00 121.20 129.99 1up4 s ILE 3 Ca 0.00 -0.21 -0.07 0.00 0.00 0.00 0.00 60.65 60.36 1up4 s ILE 3 Cb 0.00 -2.91 -0.04 0.00 0.01 0.00 0.00 42.46 39.52 1up4 s ILE 3 CO 0.00 0.48 0.14 0.00 0.00 0.00 0.00 174.94 175.56 1up4 s ALA 4 N 0.38 3.85 -0.27 9.38 0.00 0.47 -1.17 121.76 134.40 1up4 s ALA 4 Ca -0.01 -0.65 0.01 0.00 0.00 0.00 0.00 51.96 51.32 1up4 s ALA 4 Cb -0.13 -2.00 0.05 0.00 0.00 0.00 0.00 23.12 21.04 1up4 s ALA 4 CO 0.02 0.55 -0.08 0.08 0.00 0.00 0.00 175.76 176.33 1up4 s VAL 5 N -0.82 2.41 -0.37 0.00 1.01 0.32 -0.37 120.40 122.58 1up4 s VAL 5 Ca 0.14 -1.53 -0.18 0.00 0.00 0.00 0.00 61.98 60.41 1up4 s VAL 5 Cb -0.12 -2.39 0.00 0.00 0.00 0.00 0.00 36.38 33.87 1up4 s VAL 5 CO 0.03 -0.03 0.52 -0.63 0.00 0.00 0.00 175.10 175.00 1up4 s ILE 6 N 1.15 5.00 0.00 2.22 -1.09 0.54 -1.41 121.20 127.61 1up4 s ILE 6 Ca -0.07 0.23 0.00 0.00 -2.23 0.00 0.00 60.65 58.58 1up4 s ILE 6 Cb -0.20 -4.00 0.00 0.00 -1.58 0.00 0.00 42.46 36.68 1up4 s ILE 6 CO -0.04 -0.29 0.00 0.61 -1.23 0.00 0.00 174.94 173.99 1up4 n GLY 7 N 4.86 0.65 0.39 6.18 0.00 0.21 -1.11 105.19 116.37 1up4 n GLY 7 Ca -0.05 -0.02 0.19 0.00 0.00 0.00 0.00 46.02 46.14 1up4 n GLY 7 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1up4 h GLY 8 N 0.00 0.41 1.00 -0.02 0.00 -1.18 -1.44 103.07 101.84 1up4 h GLY 8 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.23 1up4 h GLY 8 CO 0.00 0.03 0.00 0.61 0.00 0.00 0.00 176.54 177.18 1up4 n GLY 9 N -1.58 -0.65 3.72 4.60 0.00 -1.26 -4.72 105.19 105.30 1up4 n GLY 9 Ca 0.14 -0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1up4 n GLY 9 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1up4 n SER 10 N -1.00 2.96 0.00 1.61 2.88 -0.54 -4.80 113.62 114.73 1up4 n SER 10 Ca 0.16 1.16 0.08 0.00 -1.33 0.00 0.00 58.87 58.93 1up4 n SER 10 Cb 0.07 -1.54 0.44 0.00 -0.75 0.00 0.00 64.21 62.44 1up4 n SER 10 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1up4 n SER 11 N 0.33 0.00 0.07 -3.46 3.41 -1.26 -1.67 113.62 111.04 1up4 n SER 11 Ca 0.05 -0.23 0.12 0.00 -0.26 0.00 0.00 58.87 58.55 1up4 n SER 11 Cb 0.39 -0.14 0.06 0.00 -0.26 0.00 0.00 64.21 64.26 1up4 n SER 11 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1up4 n TYR 12 N -1.14 0.67 -0.26 7.33 4.01 -1.26 -4.52 117.16 121.98 1up4 n TYR 12 Ca 0.10 0.19 -0.02 0.00 -0.16 0.00 0.00 57.90 58.01 1up4 n TYR 12 Cb 0.09 -0.74 0.04 0.00 -0.31 0.00 0.00 39.34 38.42 1up4 n TYR 12 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 1up4 h THR 13 N 0.00 0.15 -0.79 -0.72 2.02 -1.60 -0.29 112.91 111.67 1up4 h THR 13 Ca 0.00 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.37 1up4 h THR 13 Cb 0.85 0.15 -0.14 0.00 -1.74 0.00 0.00 68.15 67.28 1up4 h THR 13 CO 0.00 0.00 0.06 -0.65 0.37 0.00 0.00 175.52 175.30 1up4 h PRO 14 N -0.08 0.12 -0.52 6.66 0.11 -1.82 0.17 132.00 136.64 1up4 h PRO 14 Ca 0.30 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 66.32 1up4 h PRO 14 Cb 0.57 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.63 1up4 h PRO 14 CO -0.78 0.08 0.00 0.93 -0.21 0.00 0.00 178.00 178.02 1up4 h GLU 15 N 0.13 0.91 -0.37 1.05 4.39 -1.37 0.28 114.58 119.60 1up4 h GLU 15 Ca 0.45 -0.29 0.07 0.00 0.34 0.00 0.00 59.36 59.93 1up4 h GLU 15 Cb 0.83 -0.08 -0.06 0.00 -0.10 0.00 0.00 28.75 29.34 1up4 h GLU 15 CO -0.67 0.93 0.00 1.25 -1.16 0.00 0.00 179.01 179.36 1up4 h LEU 16 N 0.78 -0.15 -0.76 1.33 5.85 -0.76 -1.15 115.31 120.45 1up4 h LEU 16 Ca 0.15 0.08 -0.10 0.00 0.84 0.00 0.00 57.88 58.85 1up4 h LEU 16 Cb 0.52 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 1up4 h LEU 16 CO 0.03 -0.04 -0.14 0.58 -0.34 0.00 0.00 178.44 178.53 1up4 h VAL 17 N 0.10 1.26 -0.46 1.05 2.07 -0.56 -0.33 116.25 119.39 1up4 h VAL 17 Ca 0.18 -1.22 0.06 0.00 0.82 0.00 0.00 66.70 66.54 1up4 h VAL 17 Cb 0.25 1.09 -0.05 0.00 -1.52 0.00 0.00 31.29 31.05 1up4 h VAL 17 CO -0.30 0.42 0.15 0.50 0.02 0.00 0.00 177.57 178.35 1up4 h LYS 18 N 0.71 0.30 -0.27 1.57 3.64 -0.41 0.24 116.57 122.36 1up4 h LYS 18 Ca 0.11 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.52 1up4 h LYS 18 Cb 0.64 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.34 1up4 h LYS 18 CO 0.04 0.20 -0.01 0.78 -2.27 0.00 0.00 179.45 178.19 1up4 h GLY 19 N 0.31 0.24 1.51 5.01 0.00 -0.29 0.47 103.07 110.33 1up4 h GLY 19 Ca 0.22 0.04 -0.02 0.00 0.00 0.00 0.00 47.33 47.57 1up4 h GLY 19 CO -0.24 -0.07 0.20 1.41 0.00 0.00 0.00 176.54 177.84 1up4 h LEU 20 N 0.06 0.57 -0.41 3.11 3.38 -0.31 -1.13 115.31 120.59 1up4 h LEU 20 Ca 0.13 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1up4 h LEU 20 Cb 0.17 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1up4 h LEU 20 CO -0.23 0.51 0.14 -0.07 0.09 0.00 0.00 178.44 178.87 1up4 h LEU 21 N 0.64 0.59 -0.85 1.67 3.38 0.61 -1.56 115.31 119.77 1up4 h LEU 21 Ca 0.16 -0.20 0.03 0.00 0.09 0.00 0.00 57.88 57.97 1up4 h LEU 21 Cb 0.10 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 1up4 h LEU 21 CO -0.02 0.62 0.55 0.44 0.09 0.00 0.00 178.44 180.12 1up4 h ASP 22 N 0.51 0.91 1.09 -0.43 3.32 0.29 -2.03 116.42 120.08 1up4 h ASP 22 Ca 0.13 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1up4 h ASP 22 Cb 0.24 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.59 1up4 h ASP 22 CO -0.01 0.62 -0.18 2.30 -1.72 0.00 0.00 179.24 180.25 1up4 n ILE 23 N -4.56 0.29 0.97 0.35 -5.35 -0.86 -3.85 119.36 106.35 1up4 n ILE 23 Ca 0.11 -0.16 0.07 0.00 -0.27 0.00 0.00 62.75 62.50 1up4 n ILE 23 Cb 0.09 -0.36 0.40 0.00 -1.74 0.00 0.00 39.64 38.03 1up4 n ILE 23 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1up4 n SER 24 N -1.90 0.00 -0.02 7.28 3.41 -0.59 -1.52 113.62 120.28 1up4 n SER 24 Ca 0.06 -0.54 -0.10 0.00 -0.26 0.00 0.00 58.87 58.02 1up4 n SER 24 Cb 0.39 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.20 1up4 n SER 24 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1up4 n GLU 25 N -0.94 0.65 -0.00 4.33 1.02 -1.25 -4.36 120.64 120.09 1up4 n GLU 25 Ca 0.10 0.29 0.11 0.00 -0.02 0.00 0.00 57.16 57.64 1up4 n GLU 25 Cb 0.05 -1.78 -0.15 0.00 -0.02 0.00 0.00 31.44 29.54 1up4 n GLU 25 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1up4 n ASP 26 N -3.10 0.19 -4.10 1.62 8.00 -0.58 -4.96 116.55 113.62 1up4 n ASP 26 Ca -0.19 -0.10 -0.13 0.00 0.71 0.00 0.00 54.79 55.08 1up4 n ASP 26 Cb 1.05 1.74 -0.11 0.00 -0.02 0.00 0.00 41.12 43.78 1up4 n ASP 26 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1up4 s VAL 27 N -3.44 0.64 -0.10 2.53 -7.23 -0.64 -5.01 120.40 107.14 1up4 s VAL 27 Ca -0.05 -1.29 -0.27 0.00 -1.81 0.00 0.00 61.98 58.56 1up4 s VAL 27 Cb 0.14 -0.89 -0.02 0.00 0.56 0.00 0.00 36.38 36.17 1up4 s VAL 27 CO 0.89 -0.47 0.86 -0.60 -0.31 0.00 0.00 175.10 175.48 1up4 s ARG 28 N -2.08 4.41 -0.15 4.82 3.52 -1.26 -4.25 118.95 123.96 1up4 s ARG 28 Ca -0.04 1.14 -0.00 0.00 -0.13 0.00 0.00 55.73 56.69 1up4 s ARG 28 Cb -0.07 -3.52 0.04 0.00 -1.56 0.00 0.00 34.95 29.84 1up4 s ARG 28 CO -0.00 -0.18 -0.06 0.42 -0.81 0.00 0.00 175.30 174.67 1up4 s ILE 29 N 1.58 1.08 -0.12 4.11 1.01 -1.26 -4.94 121.20 122.65 1up4 s ILE 29 Ca 0.43 -0.51 -0.10 0.00 0.00 0.00 0.00 60.65 60.47 1up4 s ILE 29 Cb -0.18 -1.20 -0.26 0.00 0.01 0.00 0.00 42.46 40.83 1up4 s ILE 29 CO 0.18 0.21 0.41 0.44 0.00 0.00 0.00 174.94 176.18 1up4 h ASP 30 N 8.14 0.40 -4.33 3.58 5.19 -1.95 -3.44 116.42 124.02 1up4 h ASP 30 Ca -0.26 -0.90 -0.08 0.00 -0.62 0.00 0.00 57.03 55.17 1up4 h ASP 30 Cb 1.12 -0.13 -0.21 0.00 0.18 0.00 0.00 39.33 40.28 1up4 h ASP 30 CO 0.40 1.79 -0.04 -1.83 -3.12 0.00 0.00 179.24 176.44 1up4 s GLU 31 N -2.53 0.74 -0.18 3.56 -1.05 -1.26 -1.66 118.70 116.31 1up4 s GLU 31 Ca -0.22 0.52 -0.01 0.00 -0.15 0.00 0.00 54.97 55.11 1up4 s GLU 31 Cb 0.06 0.35 0.01 0.00 -0.44 0.00 0.00 34.13 34.11 1up4 s GLU 31 CO 0.76 -0.15 -0.14 0.08 0.95 0.00 0.00 175.26 176.77 1up4 s VAL 32 N -0.27 2.62 -0.09 1.83 1.01 0.17 -1.44 120.40 124.23 1up4 s VAL 32 Ca -0.04 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.19 1up4 s VAL 32 Cb -0.03 -2.13 -0.02 0.00 0.00 0.00 0.00 36.38 34.19 1up4 s VAL 32 CO 0.03 0.50 -0.12 -0.51 0.00 0.00 0.00 175.10 175.00 1up4 s ILE 33 N 1.20 3.17 0.06 2.22 2.07 -0.32 -1.12 121.20 128.48 1up4 s ILE 33 Ca 0.02 -0.66 0.06 0.00 -1.41 0.00 0.00 60.65 58.66 1up4 s ILE 33 Cb -0.14 -2.29 -0.04 0.00 0.13 0.00 0.00 42.46 40.12 1up4 s ILE 33 CO -0.06 0.56 -0.11 -0.36 -1.91 0.00 0.00 174.94 173.06 1up4 s PHE 34 N -0.28 2.75 -0.00 3.50 0.40 0.69 -0.52 117.98 124.51 1up4 s PHE 34 Ca 0.02 -0.14 -0.01 0.00 -0.60 0.00 0.00 56.93 56.21 1up4 s PHE 34 Cb -0.13 -1.50 -0.00 0.00 0.51 0.00 0.00 43.02 41.90 1up4 s PHE 34 CO 0.03 0.37 0.02 -0.47 0.70 0.00 0.00 175.22 175.87 1up4 s TYR 35 N -1.08 0.01 -0.09 0.36 5.04 -0.50 -1.30 117.35 119.79 1up4 s TYR 35 Ca 0.19 -0.02 -0.19 0.00 -2.44 0.00 0.00 57.07 54.61 1up4 s TYR 35 Cb -0.11 -0.02 0.04 0.00 0.35 0.00 0.00 41.96 42.22 1up4 s TYR 35 CO 0.10 -0.04 0.45 0.34 -1.34 0.00 0.00 175.55 175.06 1up4 s ASP 36 N -0.21 -0.41 0.03 4.32 -1.08 -1.26 0.68 116.67 118.74 1up4 s ASP 36 Ca -0.02 0.58 0.21 0.00 -0.52 0.00 0.00 52.55 52.79 1up4 s ASP 36 Cb -0.02 0.64 0.86 0.00 -1.46 0.00 0.00 42.92 42.94 1up4 s ASP 36 CO -0.00 -0.36 1.65 2.30 0.52 0.00 0.00 175.17 179.29 1up4 n ILE 37 N 1.87 0.64 -3.61 4.11 -5.35 -1.26 -4.11 119.36 111.65 1up4 n ILE 37 Ca -0.18 0.14 -0.38 0.00 -0.27 0.00 0.00 62.75 62.06 1up4 n ILE 37 Cb 0.56 -0.83 -0.06 0.00 -1.74 0.00 0.00 39.64 37.57 1up4 n ILE 37 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1up4 s ASP 38 N -3.19 5.96 0.26 7.28 -1.08 -1.26 -4.95 116.67 119.69 1up4 s ASP 38 Ca 0.09 -3.36 -0.05 0.00 -0.52 0.00 0.00 52.55 48.71 1up4 s ASP 38 Cb 0.13 -1.95 0.52 0.00 -1.46 0.00 0.00 42.92 40.16 1up4 s ASP 38 CO 0.38 -0.28 1.62 -0.33 0.52 0.00 0.00 175.17 177.08 1up4 h GLU 39 N 6.53 0.09 -0.23 4.34 5.08 -2.01 -2.34 114.58 126.05 1up4 h GLU 39 Ca 0.11 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.37 1up4 h GLU 39 Cb 0.88 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.11 1up4 h GLU 39 CO 0.81 0.06 -0.23 0.93 -1.00 0.00 0.00 179.01 179.59 1up4 h GLU 40 N 0.10 0.55 -0.32 2.33 3.07 -1.95 -1.50 114.58 116.86 1up4 h GLU 40 Ca 0.46 -0.29 0.04 0.00 -0.50 0.00 0.00 59.36 59.06 1up4 h GLU 40 Cb 0.85 0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.73 1up4 h GLU 40 CO -0.72 0.88 0.11 0.87 -1.40 0.00 0.00 179.01 178.75 1up4 h LYS 41 N 0.25 0.24 -0.65 2.33 1.57 -1.89 -3.11 116.57 115.31 1up4 h LYS 41 Ca 0.04 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.74 1up4 h LYS 41 Cb 0.78 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 33.01 1up4 h LYS 41 CO 0.06 0.16 0.16 0.37 -0.57 0.00 0.00 179.45 179.62 1up4 h GLN 42 N 0.25 1.05 -0.75 3.15 4.15 -1.31 -2.79 115.11 118.86 1up4 h GLN 42 Ca 0.14 -0.25 0.17 0.00 0.77 0.00 0.00 58.65 59.48 1up4 h GLN 42 Cb 0.12 -0.14 -0.12 0.00 0.21 0.00 0.00 27.48 27.55 1up4 h GLN 42 CO -0.15 0.94 0.13 -0.22 -1.93 0.00 0.00 178.83 177.60 1up4 h LYS 43 N 0.97 0.20 -0.20 1.69 3.64 -1.20 0.32 116.57 121.98 1up4 h LYS 43 Ca 0.20 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.54 1up4 h LYS 43 Cb 0.37 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 1up4 h LYS 43 CO 0.00 0.13 0.00 0.82 -2.27 0.00 0.00 179.45 178.14 1up4 h ILE 44 N 0.21 1.25 -0.17 2.00 2.04 -1.49 -1.37 117.51 119.98 1up4 h ILE 44 Ca 0.42 -0.87 -0.03 0.00 1.00 0.00 0.00 64.86 65.39 1up4 h ILE 44 Cb 0.75 1.43 -0.01 0.00 -0.74 0.00 0.00 36.82 38.26 1up4 h ILE 44 CO -0.57 0.26 0.01 0.58 0.00 0.00 0.00 178.15 178.43 1up4 h VAL 45 N 0.11 1.25 0.00 1.67 2.07 -1.23 -2.70 116.25 117.42 1up4 h VAL 45 Ca 0.06 -0.82 -0.10 0.00 0.82 0.00 0.00 66.70 66.66 1up4 h VAL 45 Cb 0.39 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 1up4 h VAL 45 CO 0.01 0.24 -0.47 0.58 0.02 0.00 0.00 177.57 177.96 1up4 h VAL 46 N 0.05 1.27 -0.54 2.57 2.07 -0.42 -0.17 116.25 121.07 1up4 h VAL 46 Ca 0.05 -1.64 -0.03 0.00 0.82 0.00 0.00 66.70 65.90 1up4 h VAL 46 Cb 0.36 1.90 -0.03 0.00 -1.52 0.00 0.00 31.29 32.01 1up4 h VAL 46 CO 0.01 0.46 0.21 0.44 0.02 0.00 0.00 177.57 178.71 1up4 h ASP 47 N 0.00 0.71 -0.17 0.57 5.19 -1.18 -1.08 116.42 120.46 1up4 h ASP 47 Ca -0.00 -0.09 -0.14 0.00 -0.62 0.00 0.00 57.03 56.18 1up4 h ASP 47 Cb 0.86 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 40.19 1up4 h ASP 47 CO 0.06 0.64 -0.43 0.15 -3.12 0.00 0.00 179.24 176.54 1up4 h PHE 48 N 0.77 0.76 -0.70 4.55 3.57 -0.93 -3.17 116.94 121.78 1up4 h PHE 48 Ca 0.19 -0.29 0.10 0.00 3.53 0.00 0.00 57.97 61.49 1up4 h PHE 48 Cb 0.16 -0.13 -0.07 0.00 2.79 0.00 0.00 35.95 38.69 1up4 h PHE 48 CO 0.01 1.05 0.34 0.28 -2.23 0.00 0.00 178.31 177.76 1up4 h VAL 49 N 0.24 0.82 -0.56 1.41 2.07 -0.76 -1.93 116.25 117.55 1up4 h VAL 49 Ca -0.01 -0.20 0.01 0.00 0.82 0.00 0.00 66.70 67.33 1up4 h VAL 49 Cb 1.04 0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 1up4 h VAL 49 CO 0.09 0.10 0.37 0.11 0.02 0.00 0.00 177.57 178.27 1up4 h LYS 50 N 0.57 0.71 -0.09 1.57 1.57 -1.18 0.14 116.57 119.86 1up4 h LYS 50 Ca 0.35 -0.04 -0.14 0.00 -1.87 0.00 0.00 60.65 58.94 1up4 h LYS 50 Cb 0.39 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 1up4 h LYS 50 CO -0.28 0.47 -0.58 0.00 -0.57 0.00 0.00 179.45 178.49 1up4 h ARG 51 N 0.73 0.28 0.07 3.15 3.08 -1.34 -2.65 114.38 117.70 1up4 h ARG 51 Ca 0.21 -0.18 -0.25 0.00 0.07 0.00 0.00 59.98 59.82 1up4 h ARG 51 Cb -0.04 0.02 0.02 0.00 0.08 0.00 0.00 29.97 30.05 1up4 h ARG 51 CO -0.05 0.78 -1.04 -0.07 -1.07 0.00 0.00 179.97 178.53 1up4 h LEU 52 N 0.21 0.79 -0.45 3.04 3.38 -0.84 -3.36 115.31 118.08 1up4 h LEU 52 Ca -0.00 -0.80 -0.09 0.00 0.09 0.00 0.00 57.88 57.08 1up4 h LEU 52 Cb 1.08 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 1up4 h LEU 52 CO 0.09 1.50 -0.06 0.58 0.09 0.00 0.00 178.44 180.64 1up4 h VAL 53 N 0.18 1.27 -6.17 1.22 2.07 -0.79 -3.48 116.25 110.56 1up4 h VAL 53 Ca -0.15 -1.16 -0.43 0.00 0.82 0.00 0.00 66.70 65.78 1up4 h VAL 53 Cb 1.72 1.10 0.03 0.00 -1.52 0.00 0.00 31.29 32.62 1up4 h VAL 53 CO 0.20 0.40 -0.84 0.29 0.02 0.00 0.00 177.57 177.64 1up4 n LYS 54 N -4.31 -4.68 -1.42 1.57 5.02 -1.00 -2.58 118.16 110.76 1up4 n LYS 54 Ca -0.00 0.58 -0.15 0.00 -2.02 0.00 0.00 58.31 56.73 1up4 n LYS 54 Cb 0.35 -5.09 -0.06 0.00 -0.02 0.00 0.00 35.03 30.21 1up4 n LYS 54 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1up4 n ASP 55 N -3.03 -5.00 0.15 4.39 -0.08 -1.26 -4.87 116.55 106.85 1up4 n ASP 55 Ca -0.28 0.36 0.02 0.00 -1.51 0.00 0.00 54.79 53.38 1up4 n ASP 55 Cb 0.67 -3.78 0.15 0.00 2.34 0.00 0.00 41.12 40.50 1up4 n ASP 55 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 1up4 h ARG 56 N 0.02 0.00 -4.14 -0.67 3.08 -1.89 -3.44 114.38 107.34 1up4 h ARG 56 Ca -0.30 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.60 1up4 h ARG 56 Cb 1.03 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 30.96 1up4 h ARG 56 CO 0.44 0.54 -0.37 -0.59 -1.07 0.00 0.00 179.97 178.91 1up4 s PHE 57 N -3.26 0.78 0.06 3.04 -0.12 -1.26 -4.98 117.98 112.25 1up4 s PHE 57 Ca 0.01 -1.07 -0.30 0.00 -0.05 0.00 0.00 56.93 55.53 1up4 s PHE 57 Cb 0.10 -0.20 -0.05 0.00 -0.63 0.00 0.00 43.02 42.25 1up4 s PHE 57 CO 0.73 -0.82 1.00 0.15 -0.05 0.00 0.00 175.22 176.23 1up4 s LYS 58 N -4.07 4.61 -0.28 1.99 1.02 -0.66 -4.92 119.74 117.42 1up4 s LYS 58 Ca 0.31 1.48 -0.08 0.00 0.02 0.00 0.00 55.97 57.70 1up4 s LYS 58 Cb 0.03 -3.40 -0.01 0.00 -0.52 0.00 0.00 37.83 33.93 1up4 s LYS 58 CO 0.11 0.06 0.11 0.08 -0.92 0.00 0.00 175.35 174.78 1up4 s VAL 59 N 0.49 4.36 0.12 3.17 1.01 -1.26 -0.65 120.40 127.64 1up4 s VAL 59 Ca 0.50 -0.37 0.09 0.00 0.00 0.00 0.00 61.98 62.20 1up4 s VAL 59 Cb -0.23 -3.16 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 1up4 s VAL 59 CO 0.29 0.18 -0.22 -0.76 0.00 0.00 0.00 175.10 174.59 1up4 s LEU 60 N 1.59 2.33 -0.06 3.92 1.43 -0.28 -5.00 118.68 122.61 1up4 s LEU 60 Ca 0.05 -0.73 0.04 0.00 -1.03 0.00 0.00 54.13 52.46 1up4 s LEU 60 Cb -0.16 -0.95 -0.02 0.00 0.03 0.00 0.00 46.19 45.09 1up4 s LEU 60 CO 0.04 0.07 -0.19 -0.63 0.23 0.00 0.00 176.35 175.87 1up4 s ILE 61 N -1.31 2.62 -0.11 -0.59 1.01 -1.26 -0.22 121.20 121.33 1up4 s ILE 61 Ca 0.10 -0.87 -0.02 0.00 0.00 0.00 0.00 60.65 59.86 1up4 s ILE 61 Cb -0.09 -2.00 -0.03 0.00 0.01 0.00 0.00 42.46 40.34 1up4 s ILE 61 CO 0.05 0.57 -0.03 -0.55 0.00 0.00 0.00 174.94 174.98 1up4 s SER 62 N -0.35 4.93 0.42 3.58 0.15 -0.42 -4.90 113.70 117.11 1up4 s SER 62 Ca 0.03 -0.01 0.21 0.00 0.70 0.00 0.00 55.95 56.87 1up4 s SER 62 Cb -0.12 -1.55 0.89 0.00 -1.71 0.00 0.00 66.02 63.52 1up4 s SER 62 CO 0.02 0.28 1.83 0.44 1.20 0.00 0.00 173.24 177.01 1up4 h ASP 63 N 5.89 0.00 -3.32 5.45 5.19 -1.96 -3.43 116.42 124.24 1up4 h ASP 63 Ca -0.41 0.00 -0.43 0.00 -0.62 0.00 0.00 57.03 55.56 1up4 h ASP 63 Cb 1.19 0.00 -0.14 0.00 0.18 0.00 0.00 39.33 40.55 1up4 h ASP 63 CO 0.58 0.29 -0.73 0.42 -3.12 0.00 0.00 179.24 176.68 1up4 s THR 64 N -3.81 1.66 0.09 0.35 -4.23 -1.26 -5.00 115.64 103.44 1up4 s THR 64 Ca -0.01 -2.18 -0.24 0.00 -1.18 0.00 0.00 61.69 58.08 1up4 s THR 64 Cb 0.12 -2.01 -0.15 0.00 1.34 0.00 0.00 72.50 71.80 1up4 s THR 64 CO 0.66 -0.61 1.72 0.15 -0.54 0.00 0.00 174.62 176.00 1up4 h PHE 65 N 2.61 -0.11 -0.57 3.99 3.57 -1.99 -2.98 116.94 121.45 1up4 h PHE 65 Ca -0.38 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.19 1up4 h PHE 65 Cb 1.22 0.04 -0.06 0.00 2.79 0.00 0.00 35.95 39.94 1up4 h PHE 65 CO 0.71 -0.07 0.24 1.49 -2.23 0.00 0.00 178.31 178.45 1up4 h GLU 66 N -0.11 0.44 -0.45 1.11 4.81 -1.97 -1.16 114.58 117.24 1up4 h GLU 66 Ca -0.00 -0.03 0.09 0.00 -0.13 0.00 0.00 59.36 59.29 1up4 h GLU 66 Cb 0.10 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 1up4 h GLU 66 CO 0.00 0.29 0.31 0.78 -0.73 0.00 0.00 179.01 179.66 1up4 h GLY 67 N 0.45 0.29 0.58 1.92 0.00 -1.96 -0.50 103.07 103.86 1up4 h GLY 67 Ca 0.27 -0.09 -0.11 0.00 0.00 0.00 0.00 47.33 47.41 1up4 h GLY 67 CO -0.24 0.06 -0.45 0.00 0.00 0.00 0.00 176.54 175.90 1up4 h ALA 68 N 1.77 0.03 0.00 3.60 0.00 -1.08 -3.37 119.26 120.21 1up4 h ALA 68 Ca 0.21 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1up4 h ALA 68 Cb 0.55 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1up4 h ALA 68 CO -0.04 0.22 -0.57 -0.39 0.00 0.00 0.00 179.25 178.47 1up4 h VAL 69 N -0.36 0.00 -0.74 0.00 -1.51 -1.12 -3.40 116.25 109.12 1up4 h VAL 69 Ca -0.06 -0.73 0.16 0.00 -1.23 0.00 0.00 66.70 64.84 1up4 h VAL 69 Cb 1.21 1.40 -0.13 0.00 -2.13 0.00 0.00 31.29 31.65 1up4 h VAL 69 CO 0.09 0.00 0.00 1.62 -1.23 0.00 0.00 177.57 178.05 1up4 h VAL 70 N 0.00 0.36 -0.25 7.19 3.04 -1.26 -1.77 116.25 123.56 1up4 h VAL 70 Ca 0.00 -0.04 -0.07 0.00 -1.01 0.00 0.00 66.70 65.58 1up4 h VAL 70 Cb 0.87 0.25 -0.04 0.00 -2.01 0.00 0.00 31.29 30.35 1up4 h VAL 70 CO 0.00 0.02 -0.05 0.47 -1.01 0.00 0.00 177.57 177.00 1up4 n ASP 71 N -5.34 3.02 -4.81 3.17 8.00 -1.26 -3.84 116.55 115.49 1up4 n ASP 71 Ca 0.13 -3.37 -0.38 0.00 0.71 0.00 0.00 54.79 51.88 1up4 n ASP 71 Cb 0.45 -0.57 -0.06 0.00 -0.02 0.00 0.00 41.12 40.93 1up4 n ASP 71 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1up4 s ALA 72 N -3.02 3.57 -0.04 2.24 0.00 -0.67 -4.42 121.76 119.43 1up4 s ALA 72 Ca 0.42 0.05 0.10 0.00 0.00 0.00 0.00 51.96 52.52 1up4 s ALA 72 Cb 0.36 -2.65 -0.23 0.00 0.00 0.00 0.00 23.12 20.59 1up4 s ALA 72 CO 0.04 0.40 0.69 -0.22 0.00 0.00 0.00 175.76 176.66 1up4 h LYS 73 N 4.37 0.03 -4.78 0.00 3.64 -1.40 -3.39 116.57 115.04 1up4 h LYS 73 Ca -0.49 -0.06 -0.46 0.00 -1.27 0.00 0.00 60.65 58.37 1up4 h LYS 73 Cb 1.21 0.02 -0.31 0.00 -0.41 0.00 0.00 32.23 32.75 1up4 h LYS 73 CO 0.64 0.62 -0.80 0.71 -2.27 0.00 0.00 179.45 178.35 1up4 s TYR 74 N -2.60 1.12 -0.14 1.91 2.02 -1.23 -2.10 117.35 116.33 1up4 s TYR 74 Ca -0.06 -0.28 0.01 0.00 -0.37 0.00 0.00 57.07 56.37 1up4 s TYR 74 Cb 0.08 -0.78 0.02 0.00 -0.40 0.00 0.00 41.96 40.88 1up4 s TYR 74 CO 0.82 -0.10 -0.15 0.08 -1.57 0.00 0.00 175.55 174.62 1up4 s VAL 75 N 0.12 1.59 -0.28 0.71 1.01 -0.16 -0.39 120.40 123.00 1up4 s VAL 75 Ca -0.02 -0.67 -0.10 0.00 0.00 0.00 0.00 61.98 61.19 1up4 s VAL 75 Cb -0.09 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 1up4 s VAL 75 CO 0.01 0.46 0.16 -0.63 0.00 0.00 0.00 175.10 175.09 1up4 s ILE 76 N 1.28 4.97 -0.24 2.22 1.01 0.50 -0.68 121.20 130.26 1up4 s ILE 76 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 60.65 60.44 1up4 s ILE 76 Cb -0.14 -3.38 -0.01 0.00 0.01 0.00 0.00 42.46 38.94 1up4 s ILE 76 CO -0.07 0.25 0.72 -0.36 0.00 0.00 0.00 174.94 175.47 1up4 s PHE 77 N 1.71 3.31 0.00 3.97 0.40 -0.21 -0.34 117.98 126.81 1up4 s PHE 77 Ca 0.07 0.98 0.03 0.00 -0.60 0.00 0.00 56.93 57.40 1up4 s PHE 77 Cb -0.16 -2.93 0.04 0.00 0.51 0.00 0.00 43.02 40.48 1up4 s PHE 77 CO 0.09 -0.34 0.87 0.94 0.70 0.00 0.00 175.22 177.47 1up4 n GLN 78 N 5.77 0.00 -3.50 0.44 7.27 -0.27 -0.57 117.38 126.53 1up4 n GLN 78 Ca 0.02 -0.81 -0.21 0.00 0.07 0.00 0.00 57.00 56.07 1up4 n GLN 78 Cb 0.48 -0.26 -0.01 0.00 2.41 0.00 0.00 30.24 32.87 1up4 n GLN 78 CO 0.00 0.00 0.00 -0.59 0.07 0.00 0.00 177.06 176.54 1up4 s PHE 79 N 0.00 3.29 -0.35 3.69 -0.71 -1.16 -4.73 117.98 118.01 1up4 s PHE 79 Ca 0.03 0.02 0.01 0.00 -1.04 0.00 0.00 56.93 55.95 1up4 s PHE 79 Cb 0.04 -1.93 0.11 0.00 -1.21 0.00 0.00 43.02 40.03 1up4 s PHE 79 CO -0.02 0.06 0.13 0.50 -1.34 0.00 0.00 175.22 174.55 1up4 s ARG 80 N -4.22 1.01 0.10 1.99 6.06 -1.26 -4.52 118.95 118.11 1up4 s ARG 80 Ca 0.42 -1.47 -0.31 0.00 -2.50 0.00 0.00 55.73 51.87 1up4 s ARG 80 Cb -0.09 -2.31 -0.10 0.00 0.06 0.00 0.00 34.95 32.51 1up4 s ARG 80 CO 0.33 -1.02 1.77 -2.14 -2.50 0.00 0.00 175.30 171.73 1up4 s PRO 81 N 1.15 4.16 0.00 5.12 0.02 -1.26 -1.01 135.00 143.18 1up4 s PRO 81 Ca 0.12 2.50 0.00 0.00 0.02 0.00 0.00 61.00 63.64 1up4 s PRO 81 Cb -0.20 -3.61 0.00 0.00 0.02 0.00 0.00 34.50 30.71 1up4 s PRO 81 CO -0.15 -0.81 0.00 0.41 -0.33 0.00 0.00 177.00 176.12 1up4 n GLY 82 N 4.16 1.71 7.00 0.52 0.00 -1.26 -4.84 105.19 112.48 1up4 n GLY 82 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1up4 n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1up4 n GLY 83 N -2.00 0.53 0.13 -0.02 0.00 -0.18 -1.71 105.19 101.95 1up4 n GLY 83 Ca 0.00 -0.89 -0.03 0.00 0.00 0.00 0.00 46.02 45.10 1up4 n GLY 83 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1up4 h LEU 84 N 0.00 0.09 -1.28 0.99 3.38 -1.92 -2.48 115.31 114.09 1up4 h LEU 84 Ca 0.00 -0.06 0.05 0.00 0.09 0.00 0.00 57.88 57.96 1up4 h LEU 84 Cb 0.00 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.68 1up4 h LEU 84 CO 0.00 0.74 0.51 0.50 0.09 0.00 0.00 178.44 180.29 1up4 h LYS 85 N 0.05 0.87 -0.36 1.13 3.64 -1.97 0.12 116.57 120.06 1up4 h LYS 85 Ca -0.01 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.24 1up4 h LYS 85 Cb 1.21 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.82 1up4 h LYS 85 CO 0.09 0.58 -0.06 0.78 -2.27 0.00 0.00 179.45 178.57 1up4 h GLY 86 N 0.90 0.74 0.85 5.01 0.00 -0.89 -2.07 103.07 107.61 1up4 h GLY 86 Ca 0.33 -0.59 0.04 0.00 0.00 0.00 0.00 47.33 47.11 1up4 h GLY 86 CO -0.11 0.54 0.60 -0.09 0.00 0.00 0.00 176.54 177.48 1up4 h ARG 87 N 0.48 1.13 -0.86 4.80 2.43 -1.08 -1.19 114.38 120.10 1up4 h ARG 87 Ca 0.10 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.18 1up4 h ARG 87 Cb 0.55 -0.25 -0.04 0.00 -0.42 0.00 0.00 29.97 29.81 1up4 h ARG 87 CO 0.03 0.74 0.47 1.49 -1.51 0.00 0.00 179.97 181.19 1up4 h GLU 88 N 1.16 1.20 -0.40 0.20 4.81 -0.51 -0.94 114.58 120.11 1up4 h GLU 88 Ca 0.38 -0.14 -0.06 0.00 -0.13 0.00 0.00 59.36 59.41 1up4 h GLU 88 Cb 0.03 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.16 1up4 h GLU 88 CO -0.13 0.88 0.03 -0.91 -0.73 0.00 0.00 179.01 178.15 1up4 h ASN 89 N 1.20 0.66 -0.82 1.04 2.35 -1.05 -0.03 115.58 118.94 1up4 h ASN 89 Ca 0.30 -0.29 0.07 0.00 -0.55 0.00 0.00 56.30 55.83 1up4 h ASN 89 Cb 0.04 -0.18 -0.06 0.00 0.05 0.00 0.00 38.32 38.16 1up4 h ASN 89 CO -0.05 0.79 0.49 0.44 -1.65 0.00 0.00 177.43 177.45 1up4 h ASP 90 N 0.52 0.74 0.59 5.81 3.32 -0.70 -0.27 116.42 126.43 1up4 h ASP 90 Ca 0.12 0.03 -0.28 0.00 0.02 0.00 0.00 57.03 56.91 1up4 h ASP 90 Cb 0.43 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.87 1up4 h ASP 90 CO 0.02 0.46 -1.29 -0.33 -1.72 0.00 0.00 179.24 176.37 1up4 h GLU 91 N 0.87 0.28 0.16 3.56 5.08 -1.10 -3.36 114.58 120.07 1up4 h GLU 91 Ca 0.37 -0.48 -0.27 0.00 -1.00 0.00 0.00 59.36 57.97 1up4 h GLU 91 Cb 0.23 0.18 0.01 0.00 0.50 0.00 0.00 28.75 29.68 1up4 h GLU 91 CO -0.20 1.22 -1.31 0.78 -1.00 0.00 0.00 179.01 178.50 1up4 h GLY 92 N 1.53 0.39 0.98 -3.84 0.00 -0.67 -3.38 103.07 98.08 1up4 h GLY 92 Ca -0.15 -1.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.18 1up4 h GLY 92 CO 0.20 0.87 0.22 -2.22 0.00 0.00 0.00 176.54 175.62 1up4 h ILE 93 N -0.17 1.12 0.00 2.60 2.04 -1.26 -2.98 117.51 118.86 1up4 h ILE 93 Ca -0.26 -0.27 -0.04 0.00 1.00 0.00 0.00 64.86 65.29 1up4 h ILE 93 Cb 1.86 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 38.58 1up4 h ILE 93 CO 0.15 0.12 -0.17 -0.65 0.00 0.00 0.00 178.15 177.59 1up4 h PRO 94 N 0.47 0.00 -0.70 2.37 0.11 -1.78 -3.14 132.00 129.34 1up4 h PRO 94 Ca 0.13 0.00 0.13 0.00 0.11 0.00 0.00 66.00 66.37 1up4 h PRO 94 Cb 0.00 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 31.02 1up4 h PRO 94 CO -0.02 0.17 0.23 -0.07 -0.21 0.00 0.00 178.00 178.10 1up4 h LEU 95 N 0.00 0.17 -2.93 2.35 4.07 -1.56 -0.95 115.31 116.46 1up4 h LEU 95 Ca -0.00 0.11 -0.00 0.00 0.08 0.00 0.00 57.88 58.07 1up4 h LEU 95 Cb 0.43 0.11 -0.00 0.00 1.08 0.00 0.00 40.66 42.28 1up4 h LEU 95 CO 0.02 0.07 -0.00 0.07 -1.08 0.00 0.00 178.44 177.52 1up4 h LYS 96 N 0.37 0.00 -0.12 1.13 2.10 -1.71 -1.82 116.57 116.52 1up4 h LYS 96 Ca 0.38 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.03 1up4 h LYS 96 Cb 0.57 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.90 1up4 h LYS 96 CO -0.41 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 177.71 1up4 n TYR 97 N -3.16 0.13 -1.75 0.07 4.02 -0.39 -4.91 117.16 111.17 1up4 n TYR 97 Ca -0.03 -0.07 -0.02 0.00 -0.01 0.00 0.00 57.90 57.78 1up4 n TYR 97 Cb 0.07 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.39 1up4 n TYR 97 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1up4 n GLY 98 N 1.27 0.36 3.63 2.72 0.00 -0.68 -5.04 105.19 107.44 1up4 n GLY 98 Ca 0.17 -0.87 -0.31 0.00 0.00 0.00 0.00 46.02 45.01 1up4 n GLY 98 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1up4 s LEU 99 N -0.46 3.26 0.10 0.99 1.02 -1.07 -5.03 118.68 117.49 1up4 s LEU 99 Ca 0.00 -0.22 -0.31 0.00 0.02 0.00 0.00 54.13 53.62 1up4 s LEU 99 Cb 0.00 -1.97 -0.09 0.00 0.02 0.00 0.00 46.19 44.14 1up4 s LEU 99 CO 0.00 0.21 1.74 -0.63 0.02 0.00 0.00 176.35 177.69 1up4 s ILE 100 N -1.19 2.77 -0.38 -0.59 -1.09 -1.26 -3.51 121.20 115.95 1up4 s ILE 100 Ca 0.22 0.27 -0.11 0.00 -2.23 0.00 0.00 60.65 58.79 1up4 s ILE 100 Cb -0.11 -3.17 0.03 0.00 -1.58 0.00 0.00 42.46 37.63 1up4 s ILE 100 CO 0.14 0.00 0.23 -0.83 -1.23 0.00 0.00 174.94 173.24 1up4 s GLY 101 N 2.49 1.94 -0.14 6.18 0.00 -1.26 -4.41 107.32 112.13 1up4 s GLY 101 Ca 0.77 -1.77 -0.11 0.00 0.00 0.00 0.00 44.72 43.62 1up4 s GLY 101 CO 0.34 0.87 0.35 1.62 0.00 0.00 0.00 173.10 176.28 1up4 s GLN 102 N 1.56 0.39 0.28 2.90 -0.44 -1.26 -4.69 119.66 118.39 1up4 s GLN 102 Ca 0.02 0.55 0.04 0.00 -2.50 0.00 0.00 55.36 53.47 1up4 s GLN 102 Cb -0.20 0.13 0.75 0.00 -1.64 0.00 0.00 33.01 32.05 1up4 s GLN 102 CO 0.07 -0.08 1.36 -1.91 0.50 0.00 0.00 175.29 175.23 1up4 n GLU 103 N 3.27 -0.07 0.00 1.67 2.13 -1.26 -3.15 120.64 123.24 1up4 n GLU 103 Ca -0.16 1.29 0.00 0.00 0.66 0.00 0.00 57.16 58.95 1up4 n GLU 103 Cb 0.57 -2.08 0.00 0.00 0.27 0.00 0.00 31.44 30.19 1up4 n GLU 103 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1up4 n THR 104 N -5.21 0.14 -4.93 6.31 -2.24 -1.26 -3.84 114.28 103.25 1up4 n THR 104 Ca 0.23 -0.32 -0.29 0.00 -2.27 0.00 0.00 64.05 61.40 1up4 n THR 104 Cb 0.74 1.29 -0.17 0.00 -2.10 0.00 0.00 70.33 70.10 1up4 n THR 104 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1up4 s THR 105 N -0.14 1.63 0.00 4.28 2.01 -1.19 -4.43 115.64 117.81 1up4 s THR 105 Ca 0.00 -0.77 0.00 0.00 0.31 0.00 0.00 61.69 61.23 1up4 s THR 105 Cb 0.00 -1.44 0.00 0.00 0.01 0.00 0.00 72.50 71.07 1up4 s THR 105 CO 0.00 0.47 0.00 0.61 -0.69 0.00 0.00 174.62 175.01 1up4 n GLY 106 N 3.64 -0.37 0.38 4.40 0.00 -1.26 -3.89 105.19 108.09 1up4 n GLY 106 Ca -0.21 -1.08 0.14 0.00 0.00 0.00 0.00 46.02 44.88 1up4 n GLY 106 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1up4 h VAL 107 N 0.00 0.81 -0.89 1.61 2.07 -1.79 -0.30 116.25 117.75 1up4 h VAL 107 Ca 0.00 -0.17 0.01 0.00 0.82 0.00 0.00 66.70 67.35 1up4 h VAL 107 Cb 0.00 0.26 -0.04 0.00 -1.52 0.00 0.00 31.29 29.99 1up4 h VAL 107 CO 0.00 0.09 0.58 1.23 0.02 0.00 0.00 177.57 179.49 1up4 h GLY 108 N 0.50 1.27 2.00 2.17 0.00 -1.70 -1.78 103.07 105.52 1up4 h GLY 108 Ca 0.39 -0.49 -0.08 0.00 0.00 0.00 0.00 47.33 47.16 1up4 h GLY 108 CO -0.14 0.48 -0.38 -1.33 0.00 0.00 0.00 176.54 175.16 1up4 h GLY 109 N 1.21 0.00 0.94 4.60 0.00 -1.11 -2.34 103.07 106.37 1up4 h GLY 109 Ca 0.33 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.64 1up4 h GLY 109 CO -0.07 0.00 -0.13 -2.75 0.00 0.00 0.00 176.54 173.59 1up4 h PHE 110 N 0.00 -0.33 -0.38 5.60 3.57 -0.89 -0.63 116.94 123.88 1up4 h PHE 110 Ca -0.00 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.38 1up4 h PHE 110 Cb 0.82 0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.65 1up4 h PHE 110 CO 0.00 -0.16 -0.19 0.66 -2.23 0.00 0.00 178.31 176.39 1up4 h SER 111 N -0.43 0.72 -0.86 0.41 4.64 -1.40 -1.52 113.55 115.13 1up4 h SER 111 Ca -0.04 -0.24 0.03 0.00 -0.47 0.00 0.00 61.79 61.07 1up4 h SER 111 Cb 0.32 -0.20 -0.05 0.00 -0.31 0.00 0.00 62.40 62.17 1up4 h SER 111 CO 0.06 0.91 0.56 0.00 -0.87 0.00 0.00 176.83 177.49 1up4 h ALA 112 N 1.15 1.12 -0.32 5.18 0.00 -1.36 -1.64 119.26 123.39 1up4 h ALA 112 Ca 0.10 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1up4 h ALA 112 Cb 0.67 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1up4 h ALA 112 CO 0.05 0.42 -0.02 0.00 0.00 0.00 0.00 179.25 179.69 1up4 h ALA 113 N 1.35 0.44 -0.48 0.00 0.00 -0.61 -1.86 119.26 118.09 1up4 h ALA 113 Ca 0.34 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1up4 h ALA 113 Cb -0.03 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1up4 h ALA 113 CO -0.11 0.22 0.29 -0.07 0.00 0.00 0.00 179.25 179.58 1up4 h LEU 114 N 0.38 0.56 -0.99 0.00 3.38 -1.12 -0.75 115.31 116.78 1up4 h LEU 114 Ca 0.09 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.93 1up4 h LEU 114 Cb 0.49 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1up4 h LEU 114 CO 0.02 0.44 -0.36 0.03 0.09 0.00 0.00 178.44 178.66 1up4 h ARG 115 N 0.66 0.28 0.09 1.13 3.08 -1.04 -3.36 114.38 115.21 1up4 h ARG 115 Ca 0.17 -0.12 -0.16 0.00 0.07 0.00 0.00 59.98 59.94 1up4 h ARG 115 Cb -0.03 -0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.02 1up4 h ARG 115 CO -0.03 0.61 -0.76 0.00 -1.07 0.00 0.00 179.97 178.71 1up4 h ALA 116 N 1.39 0.02 -0.73 0.04 0.00 -0.43 -3.41 119.26 116.15 1up4 h ALA 116 Ca 0.03 -0.77 0.13 0.00 0.00 0.00 0.00 54.91 54.30 1up4 h ALA 116 Cb 0.75 0.20 -0.13 0.00 0.00 0.00 0.00 17.79 18.61 1up4 h ALA 116 CO 0.06 0.40 -0.32 0.74 0.00 0.00 0.00 179.25 180.12 1up4 h PHE 117 N -0.57 -0.86 -0.76 0.00 0.04 -1.33 0.17 116.94 113.63 1up4 h PHE 117 Ca -0.16 0.08 0.08 0.00 2.80 0.00 0.00 57.97 60.78 1up4 h PHE 117 Cb 1.47 0.49 -0.07 0.00 2.20 0.00 0.00 35.95 40.04 1up4 h PHE 117 CO 0.20 -0.38 0.42 -1.35 -0.60 0.00 0.00 178.31 176.60 1up4 h PRO 118 N -0.09 0.71 -0.12 1.51 0.11 -1.78 0.76 132.00 133.09 1up4 h PRO 118 Ca 0.29 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.33 1up4 h PRO 118 Cb 0.57 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.51 1up4 h PRO 118 CO -0.78 0.47 -0.01 0.82 -0.21 0.00 0.00 178.00 178.29 1up4 h ILE 119 N 0.73 1.26 -0.24 4.15 2.04 -1.26 -2.39 117.51 121.80 1up4 h ILE 119 Ca 0.36 -0.86 -0.09 0.00 1.00 0.00 0.00 64.86 65.27 1up4 h ILE 119 Cb 0.30 1.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.95 1up4 h ILE 119 CO -0.23 0.25 -0.22 -0.37 0.00 0.00 0.00 178.15 177.58 1up4 h VAL 120 N -0.05 1.25 0.01 1.67 -1.51 -0.74 -0.25 116.25 116.63 1up4 h VAL 120 Ca 0.03 -1.19 0.03 0.00 -1.23 0.00 0.00 66.70 64.35 1up4 h VAL 120 Cb 0.38 1.31 -0.05 0.00 -2.13 0.00 0.00 31.29 30.81 1up4 h VAL 120 CO 0.01 0.38 -0.27 -0.33 -1.23 0.00 0.00 177.57 176.12 1up4 h GLU 121 N 0.40 -0.40 -0.35 5.19 5.08 -0.78 0.30 114.58 124.02 1up4 h GLU 121 Ca 0.06 0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.48 1up4 h GLU 121 Cb 0.61 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.93 1up4 h GLU 121 CO 0.04 -0.27 0.16 1.49 -1.00 0.00 0.00 179.01 179.44 1up4 h GLU 122 N -0.42 0.33 -0.02 2.33 4.81 -1.00 -1.30 114.58 119.31 1up4 h GLU 122 Ca 0.06 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1up4 h GLU 122 Cb 0.50 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.81 1up4 h GLU 122 CO -0.23 0.22 -0.00 1.88 -0.73 0.00 0.00 179.01 180.14 1up4 h TYR 123 N 0.34 0.04 -0.97 0.92 0.05 -0.73 -1.95 116.97 114.66 1up4 h TYR 123 Ca 0.15 -0.01 0.01 0.00 0.05 0.00 0.00 58.73 58.93 1up4 h TYR 123 Cb 0.07 -0.01 -0.05 0.00 1.01 0.00 0.00 36.73 37.75 1up4 h TYR 123 CO -0.11 0.34 0.63 0.28 -1.05 0.00 0.00 178.16 178.25 1up4 h VAL 124 N -0.28 1.26 -0.32 -2.88 2.07 -0.38 -1.06 116.25 114.66 1up4 h VAL 124 Ca 0.01 -0.49 0.03 0.00 0.82 0.00 0.00 66.70 67.06 1up4 h VAL 124 Cb 0.33 -0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 29.91 1up4 h VAL 124 CO 0.00 0.25 0.15 -0.78 0.02 0.00 0.00 177.57 177.21 1up4 h ASP 125 N 1.33 0.20 -0.59 0.57 3.58 -1.07 -0.69 116.42 119.74 1up4 h ASP 125 Ca 0.35 0.02 -0.06 0.00 0.42 0.00 0.00 57.03 57.76 1up4 h ASP 125 Cb -0.13 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 40.88 1up4 h ASP 125 CO -0.07 0.16 0.12 0.74 -2.88 0.00 0.00 179.24 177.30 1up4 h THR 126 N 0.31 1.25 -0.23 2.25 2.02 -0.86 -0.99 112.91 116.67 1up4 h THR 126 Ca 0.14 -0.94 0.02 0.00 0.77 0.00 0.00 66.41 66.40 1up4 h THR 126 Cb 0.07 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.18 1up4 h THR 126 CO -0.11 0.35 0.09 0.58 0.37 0.00 0.00 175.52 176.80 1up4 h VAL 127 N 0.86 0.97 -0.49 3.16 2.07 -0.98 -2.47 116.25 119.36 1up4 h VAL 127 Ca 0.18 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.62 1up4 h VAL 127 Cb 0.38 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 1up4 h VAL 127 CO 0.01 0.04 0.27 -0.09 0.02 0.00 0.00 177.57 177.82 1up4 h ARG 128 N 0.21 0.66 -0.00 1.57 2.43 -0.78 -1.34 114.38 117.12 1up4 h ARG 128 Ca 0.10 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1up4 h ARG 128 Cb 0.05 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.46 1up4 h ARG 128 CO -0.08 0.48 -0.05 1.63 -1.51 0.00 0.00 179.97 180.44 1up4 n LYS 129 N -4.42 0.95 0.00 0.20 5.02 -0.40 -4.50 118.16 115.00 1up4 n LYS 129 Ca 0.04 -0.28 0.00 0.00 -2.02 0.00 0.00 58.31 56.05 1up4 n LYS 129 Cb 0.09 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.61 1up4 n LYS 129 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1up4 n THR 130 N -0.78 0.00 0.25 -0.18 -2.24 -0.62 -4.98 114.28 105.73 1up4 n THR 130 Ca 0.18 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.08 1up4 n THR 130 Cb 0.24 0.00 0.18 0.00 -2.10 0.00 0.00 70.33 68.64 1up4 n THR 130 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1up4 h SER 131 N 0.00 0.00 -6.61 3.42 4.64 -1.51 -3.48 113.55 110.01 1up4 h SER 131 Ca 0.00 -0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 1up4 h SER 131 Cb 0.00 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 61.95 1up4 h SER 131 CO 0.00 0.00 -0.83 -3.20 -0.87 0.00 0.00 176.83 171.93 1up4 n ASN 132 N -2.99 -2.95 -4.79 4.97 2.85 -0.60 -4.93 115.26 106.81 1up4 n ASN 132 Ca 0.04 -0.97 -0.31 0.00 -0.11 0.00 0.00 54.58 53.23 1up4 n ASN 132 Cb 0.52 -3.03 0.06 0.00 1.24 0.00 0.00 39.78 38.57 1up4 n ASN 132 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1up4 s ALA 133 N -3.43 2.51 -0.04 5.20 0.00 -1.26 -5.00 121.76 119.74 1up4 s ALA 133 Ca 0.57 0.25 -0.30 0.00 0.00 0.00 0.00 51.96 52.48 1up4 s ALA 133 Cb -0.31 -3.24 -0.04 0.00 0.00 0.00 0.00 23.12 19.54 1up4 s ALA 133 CO 0.90 -1.37 1.25 0.99 0.00 0.00 0.00 175.76 177.53 1up4 s THR 134 N -2.83 4.11 -0.28 0.00 2.01 -0.89 -4.87 115.64 112.89 1up4 s THR 134 Ca 0.61 1.45 -0.13 0.00 0.31 0.00 0.00 61.69 63.93 1up4 s THR 134 Cb -0.16 -3.93 -0.04 0.00 0.01 0.00 0.00 72.50 68.38 1up4 s THR 134 CO 0.51 0.00 0.30 -0.63 -0.69 0.00 0.00 174.62 174.11 1up4 s ILE 135 N 2.21 5.23 -0.32 1.82 1.01 -0.31 -0.99 121.20 129.86 1up4 s ILE 135 Ca 0.58 0.35 -0.13 0.00 0.00 0.00 0.00 60.65 61.45 1up4 s ILE 135 Cb -0.27 -3.64 -0.03 0.00 0.01 0.00 0.00 42.46 38.54 1up4 s ILE 135 CO 0.23 0.17 0.24 -0.69 0.00 0.00 0.00 174.94 174.89 1up4 s VAL 136 N 1.93 5.28 -0.19 2.92 1.01 0.15 -0.51 120.40 130.99 1up4 s VAL 136 Ca 0.11 -0.05 -0.06 0.00 0.00 0.00 0.00 61.98 61.98 1up4 s VAL 136 Cb -0.16 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.52 1up4 s VAL 136 CO 0.11 0.07 0.02 0.21 0.00 0.00 0.00 175.10 175.50 1up4 s ASN 137 N 1.73 5.07 -0.06 3.32 2.47 -0.28 -1.05 114.94 126.15 1up4 s ASN 137 Ca 0.07 -0.11 0.12 0.00 0.42 0.00 0.00 52.86 53.35 1up4 s ASN 137 Cb -0.17 -1.87 -0.17 0.00 -1.45 0.00 0.00 41.25 37.59 1up4 s ASN 137 CO 0.11 0.10 0.18 0.49 -3.72 0.00 0.00 177.10 174.26 1up4 n PHE 138 N 4.00 0.00 -1.64 0.43 3.72 0.26 -0.79 117.46 123.45 1up4 n PHE 138 Ca -0.17 0.00 -0.58 0.00 -0.05 0.00 0.00 57.45 56.65 1up4 n PHE 138 Cb 0.52 -0.40 -0.07 0.00 -0.94 0.00 0.00 39.48 38.59 1up4 n PHE 138 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1up4 n THR 139 N -2.13 0.10 -3.29 4.37 -1.04 -1.16 -4.58 114.28 106.56 1up4 n THR 139 Ca -0.09 -0.02 -0.34 0.00 -2.04 0.00 0.00 64.05 61.56 1up4 n THR 139 Cb 0.54 -0.75 -0.06 0.00 -1.82 0.00 0.00 70.33 68.24 1up4 n THR 139 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 1up4 s ASN 140 N 1.83 6.81 -0.38 8.00 0.01 -1.26 -2.56 114.94 127.39 1up4 s ASN 140 Ca 0.94 1.14 -0.26 0.00 -0.71 0.00 0.00 52.86 53.97 1up4 s ASN 140 Cb -1.14 -2.31 0.02 0.00 0.41 0.00 0.00 41.25 38.22 1up4 s ASN 140 CO 0.61 -0.01 0.92 -2.16 -1.51 0.00 0.00 177.10 174.95 1up4 s PRO 141 N -2.36 3.81 0.11 -0.60 0.05 -1.26 -4.76 135.00 129.99 1up4 s PRO 141 Ca 0.44 0.53 -0.22 0.00 0.05 0.00 0.00 61.00 61.80 1up4 s PRO 141 Cb -0.13 -3.81 -0.09 0.00 0.05 0.00 0.00 34.50 30.51 1up4 s PRO 141 CO 0.20 -0.97 1.71 1.03 0.05 0.00 0.00 177.00 179.02 1up4 h SER 142 N 8.54 -0.14 -0.22 6.66 0.87 -1.74 0.57 113.55 128.08 1up4 h SER 142 Ca -0.23 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.35 1up4 h SER 142 Cb 1.08 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 63.11 1up4 h SER 142 CO 0.98 -0.06 0.09 1.23 -0.53 0.00 0.00 176.83 178.55 1up4 h GLY 143 N -0.05 0.35 1.01 5.77 0.00 -1.89 -1.01 103.07 107.26 1up4 h GLY 143 Ca 0.04 -0.19 -0.00 0.00 0.00 0.00 0.00 47.33 47.18 1up4 h GLY 143 CO -0.10 0.18 0.48 0.84 0.00 0.00 0.00 176.54 177.93 1up4 h HIS 144 N 0.21 1.03 -0.75 5.60 6.17 -1.89 -0.29 115.15 125.23 1up4 h HIS 144 Ca 0.07 0.00 -0.05 0.00 0.71 0.00 0.00 60.37 61.11 1up4 h HIS 144 Cb 0.16 -0.34 -0.03 0.00 2.52 0.00 0.00 27.41 29.72 1up4 h HIS 144 CO -0.01 0.68 0.28 0.82 0.71 0.00 0.00 177.93 180.41 1up4 h ILE 145 N 1.07 1.25 -0.67 6.26 2.04 -0.77 -1.52 117.51 125.18 1up4 h ILE 145 Ca 0.28 -0.83 0.02 0.00 1.00 0.00 0.00 64.86 65.34 1up4 h ILE 145 Cb -0.05 0.38 -0.04 0.00 -0.74 0.00 0.00 36.82 36.37 1up4 h ILE 145 CO -0.05 0.33 0.42 0.74 0.00 0.00 0.00 178.15 179.59 1up4 h THR 146 N 1.10 1.11 -0.76 -0.27 2.02 -0.41 -0.01 112.91 115.70 1up4 h THR 146 Ca 0.25 -0.29 0.02 0.00 0.77 0.00 0.00 66.41 67.16 1up4 h THR 146 Cb 0.23 0.20 -0.04 0.00 -1.74 0.00 0.00 68.15 66.80 1up4 h THR 146 CO -0.02 0.15 0.49 -0.08 0.37 0.00 0.00 175.52 176.44 1up4 h GLU 147 N 0.84 0.96 0.07 6.66 4.57 -0.72 0.17 114.58 127.13 1up4 h GLU 147 Ca 0.26 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.38 1up4 h GLU 147 Cb -0.02 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 28.36 1up4 h GLU 147 CO -0.09 0.64 -0.04 0.35 -1.18 0.00 0.00 179.01 178.69 1up4 h PHE 148 N 0.99 -0.09 -0.55 0.92 3.57 -0.55 -1.30 116.94 119.94 1up4 h PHE 148 Ca 0.29 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.71 1up4 h PHE 148 Cb -0.07 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.68 1up4 h PHE 148 CO -0.03 0.12 0.04 0.28 -2.23 0.00 0.00 178.31 176.50 1up4 h VAL 149 N -0.29 1.26 -0.15 1.41 2.07 -0.84 -1.02 116.25 118.68 1up4 h VAL 149 Ca -0.01 -1.04 -0.23 0.00 0.82 0.00 0.00 66.70 66.24 1up4 h VAL 149 Cb 0.25 0.86 0.01 0.00 -1.52 0.00 0.00 31.29 30.89 1up4 h VAL 149 CO 0.02 0.37 -0.78 0.03 0.02 0.00 0.00 177.57 177.23 1up4 h ARG 150 N 0.82 0.80 -0.00 1.57 2.47 -0.64 -0.21 114.38 119.19 1up4 h ARG 150 Ca 0.16 -0.66 0.00 0.00 -1.26 0.00 0.00 59.98 58.22 1up4 h ARG 150 Cb 0.48 0.14 0.00 0.00 -1.65 0.00 0.00 29.97 28.93 1up4 h ARG 150 CO 0.02 1.26 -0.64 0.09 0.56 0.00 0.00 179.97 181.26 1up4 n ASN 151 N -3.93 0.98 0.00 7.04 3.02 -0.49 -3.99 115.26 117.88 1up4 n ASN 151 Ca -0.07 -0.99 0.00 0.00 -0.03 0.00 0.00 54.58 53.49 1up4 n ASN 151 Cb 0.75 0.87 0.00 0.00 -0.61 0.00 0.00 39.78 40.78 1up4 n ASN 151 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1up4 n TYR 152 N -1.05 0.00 0.31 3.10 4.02 -0.46 -4.69 117.16 118.38 1up4 n TYR 152 Ca 0.04 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 58.05 1up4 n TYR 152 Cb 0.27 0.10 0.25 0.00 -0.02 0.00 0.00 39.34 39.94 1up4 n TYR 152 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 1up4 h LEU 153 N 0.00 0.00 -1.31 7.72 3.38 -1.35 -3.48 115.31 120.27 1up4 h LEU 153 Ca 0.00 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 57.55 1up4 h LEU 153 Cb 0.69 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.50 1up4 h LEU 153 CO 0.00 0.00 -0.77 -0.62 0.09 0.00 0.00 178.44 177.14 1up4 n GLU 154 N -2.92 -6.00 -3.53 1.13 1.02 -0.16 -4.98 120.64 105.20 1up4 n GLU 154 Ca 0.04 0.69 -0.41 0.00 -0.02 0.00 0.00 57.16 57.46 1up4 n GLU 154 Cb 0.49 -5.53 -0.11 0.00 -0.02 0.00 0.00 31.44 26.28 1up4 n GLU 154 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 1up4 s TYR 155 N -3.43 3.23 0.12 -0.32 5.04 -0.77 -5.00 117.35 116.21 1up4 s TYR 155 Ca 0.34 -0.56 -0.14 0.00 -2.44 0.00 0.00 57.07 54.26 1up4 s TYR 155 Cb -0.16 -2.50 -0.06 0.00 0.35 0.00 0.00 41.96 39.59 1up4 s TYR 155 CO 0.79 -0.52 1.47 1.49 -1.34 0.00 0.00 175.55 177.44 1up4 h GLU 156 N 8.52 0.76 -3.00 4.97 4.81 -1.90 -3.33 114.58 125.41 1up4 h GLU 156 Ca -0.28 -0.35 -0.70 0.00 -0.13 0.00 0.00 59.36 57.89 1up4 h GLU 156 Cb 1.13 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.47 1up4 h GLU 156 CO 0.68 0.97 3.34 1.63 -0.73 0.00 0.00 179.01 184.90 1up4 n LYS 157 N -4.27 3.88 -3.79 1.92 5.02 -1.26 -4.80 118.16 114.85 1up4 n LYS 157 Ca -0.03 -2.63 -0.28 0.00 -2.02 0.00 0.00 58.31 53.36 1up4 n LYS 157 Cb 0.44 -2.80 -0.16 0.00 -0.02 0.00 0.00 35.03 32.48 1up4 n LYS 157 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 1up4 s PHE 158 N 1.28 1.30 -0.22 2.13 2.19 -1.25 -1.16 117.98 122.24 1up4 s PHE 158 Ca 0.63 -0.97 -0.01 0.00 0.33 0.00 0.00 56.93 56.90 1up4 s PHE 158 Cb 0.17 -1.13 0.02 0.00 -1.31 0.00 0.00 43.02 40.77 1up4 s PHE 158 CO -0.07 -0.61 -0.10 0.42 1.83 0.00 0.00 175.22 176.68 1up4 s ILE 159 N 1.77 2.66 0.12 3.12 1.01 0.33 -4.91 121.20 125.30 1up4 s ILE 159 Ca -0.01 -0.95 -0.30 0.00 0.00 0.00 0.00 60.65 59.39 1up4 s ILE 159 Cb -0.17 -2.28 -0.06 0.00 0.01 0.00 0.00 42.46 39.97 1up4 s ILE 159 CO -0.07 0.32 0.98 -0.83 0.00 0.00 0.00 174.94 175.34 1up4 s GLY 160 N 1.32 2.98 0.19 6.18 0.00 -1.08 -1.12 107.32 115.79 1up4 s GLY 160 Ca 0.02 0.60 0.10 0.00 0.00 0.00 0.00 44.72 45.44 1up4 s GLY 160 CO -0.07 1.48 -0.20 -2.27 0.00 0.00 0.00 173.10 172.04 1up4 s LEU 161 N -0.04 2.45 0.15 0.66 2.96 0.03 -0.47 118.68 124.43 1up4 s LEU 161 Ca 0.47 -0.88 -0.09 0.00 -0.22 0.00 0.00 54.13 53.40 1up4 s LEU 161 Cb -0.24 -0.96 -0.00 0.00 0.50 0.00 0.00 46.19 45.49 1up4 s LEU 161 CO 0.30 0.02 0.28 0.00 -1.32 0.00 0.00 176.35 175.63 1up4 n ASN 163 N -0.19 0.56 0.01 0.00 2.04 -1.26 -4.43 115.26 112.00 1up4 n ASN 163 Ca -0.09 -0.17 -0.18 0.00 -0.44 0.00 0.00 54.58 53.69 1up4 n ASN 163 Cb 0.63 0.30 -0.11 0.00 -2.53 0.00 0.00 39.78 38.06 1up4 n ASN 163 CO 0.00 0.00 0.00 -0.37 -0.44 0.00 0.00 177.26 176.45 1up4 h VAL 164 N 0.00 1.40 -0.28 3.53 -1.51 -1.98 -2.41 116.25 115.00 1up4 h VAL 164 Ca 0.00 -2.13 0.07 0.00 -1.23 0.00 0.00 66.70 63.40 1up4 h VAL 164 Cb 0.58 2.58 -0.07 0.00 -2.13 0.00 0.00 31.29 32.24 1up4 h VAL 164 CO 0.00 0.63 -0.24 -0.65 -1.23 0.00 0.00 177.57 176.08 1up4 h PRO 165 N -0.01 -0.22 -0.08 5.19 0.11 -1.95 -0.25 132.00 134.80 1up4 h PRO 165 Ca -0.09 0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.97 1up4 h PRO 165 Cb 1.41 0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.56 1up4 h PRO 165 CO 0.14 -0.14 -0.27 0.97 -0.21 0.00 0.00 178.00 178.48 1up4 h ILE 166 N -0.23 1.23 -0.52 4.15 6.09 -1.82 -1.38 117.51 125.04 1up4 h ILE 166 Ca 0.15 -1.08 -0.12 0.00 -1.37 0.00 0.00 64.86 62.44 1up4 h ILE 166 Cb 0.46 1.48 -0.02 0.00 0.47 0.00 0.00 36.82 39.21 1up4 h ILE 166 CO -0.41 0.32 -0.16 0.78 -3.07 0.00 0.00 178.15 175.61 1up4 h ASN 167 N 0.12 1.04 0.16 2.19 2.35 -0.86 -1.89 115.58 118.69 1up4 h ASN 167 Ca 0.02 -0.37 -0.01 0.00 -0.55 0.00 0.00 56.30 55.40 1up4 h ASN 167 Cb 0.55 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.64 1up4 h ASN 167 CO 0.04 1.17 -0.08 0.15 -1.65 0.00 0.00 177.43 177.06 1up4 h PHE 168 N 0.90 -0.20 -0.42 1.19 3.57 -0.70 -2.49 116.94 118.78 1up4 h PHE 168 Ca 0.13 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.70 1up4 h PHE 168 Cb 0.73 0.07 -0.07 0.00 2.79 0.00 0.00 35.95 39.47 1up4 h PHE 168 CO 0.05 0.05 0.01 0.82 -2.23 0.00 0.00 178.31 177.01 1up4 h ILE 169 N -0.44 0.69 -0.67 1.41 2.04 -1.26 -1.50 117.51 117.78 1up4 h ILE 169 Ca -0.02 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.80 1up4 h ILE 169 Cb 0.35 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 1up4 h ILE 169 CO 0.04 0.02 0.43 -0.09 0.00 0.00 0.00 178.15 178.55 1up4 h ARG 170 N 0.12 0.89 0.10 2.37 2.43 -1.36 0.13 114.38 119.06 1up4 h ARG 170 Ca 0.21 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1up4 h ARG 170 Cb 0.29 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.64 1up4 h ARG 170 CO -0.34 0.60 -0.06 0.93 -1.51 0.00 0.00 179.97 179.59 1up4 h GLU 171 N 0.92 -0.15 -0.46 0.20 5.08 -0.88 -1.83 114.58 117.45 1up4 h GLU 171 Ca 0.25 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.59 1up4 h GLU 171 Cb -0.08 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 1up4 h GLU 171 CO -0.05 -0.10 0.20 0.82 -1.00 0.00 0.00 179.01 178.88 1up4 h ILE 172 N -0.16 1.20 -0.53 3.13 1.08 -0.54 -3.05 117.51 118.63 1up4 h ILE 172 Ca -0.01 -0.58 0.08 0.00 -0.39 0.00 0.00 64.86 63.96 1up4 h ILE 172 Cb 0.14 0.72 -0.07 0.00 -3.07 0.00 0.00 36.82 34.54 1up4 h ILE 172 CO 0.00 0.22 0.16 0.00 -0.69 0.00 0.00 178.15 177.84 1up4 h ALA 173 N 1.05 0.64 0.00 1.87 0.00 -0.70 -2.08 119.26 120.05 1up4 h ALA 173 Ca 0.16 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1up4 h ALA 173 Cb 0.16 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1up4 h ALA 173 CO -0.02 -0.25 0.00 0.39 0.00 0.00 0.00 179.25 179.37 1up4 n GLU 174 N -5.05 0.24 0.00 0.00 1.02 -0.70 0.08 120.64 116.24 1up4 n GLU 174 Ca 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 1up4 n GLU 174 Cb 0.24 -1.38 0.00 0.00 -0.02 0.00 0.00 31.44 30.28 1up4 n GLU 174 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1up4 n PHE 176 N 1.08 0.00 -3.48 -0.32 3.72 -0.78 -4.82 117.46 112.86 1up4 n PHE 176 Ca 0.00 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.21 1up4 n PHE 176 Cb 0.12 0.00 0.07 0.00 -0.94 0.00 0.00 39.48 38.72 1up4 n PHE 176 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1up4 n SER 177 N 0.00 -3.22 -4.26 4.37 7.64 0.11 -5.00 113.62 113.26 1up4 n SER 177 Ca 0.00 -0.73 -0.14 0.00 1.01 0.00 0.00 58.87 59.01 1up4 n SER 177 Cb 0.00 -4.73 -0.10 0.00 -1.01 0.00 0.00 64.21 58.37 1up4 n SER 177 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1up4 s ALA 178 N -3.46 1.44 0.71 -0.43 0.00 -0.33 -5.13 121.76 114.55 1up4 s ALA 178 Ca 0.15 -1.59 -0.11 0.00 0.00 0.00 0.00 51.96 50.41 1up4 s ALA 178 Cb -0.03 0.41 0.02 0.00 0.00 0.00 0.00 23.12 23.52 1up4 s ALA 178 CO 0.76 -0.26 1.08 1.03 0.00 0.00 0.00 175.76 178.37 1up4 s ARG 179 N -3.87 2.83 0.24 0.00 0.52 -1.26 -4.53 118.95 112.89 1up4 s ARG 179 Ca 0.23 0.67 -0.05 0.00 -0.52 0.00 0.00 55.73 56.06 1up4 s ARG 179 Cb 0.05 -2.00 0.41 0.00 0.52 0.00 0.00 34.95 33.93 1up4 s ARG 179 CO 0.04 -1.10 1.77 -0.07 0.02 0.00 0.00 175.30 175.95 1up4 h LEU 180 N -0.71 0.47 -0.19 2.53 3.38 -1.95 -1.99 115.31 116.84 1up4 h LEU 180 Ca -0.45 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1up4 h LEU 180 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1up4 h LEU 180 CO 0.61 0.24 0.00 -0.62 0.09 0.00 0.00 178.44 178.76 1up4 n GLU 181 N -4.88 0.17 0.00 1.13 1.02 -1.26 -2.15 120.64 114.67 1up4 n GLU 181 Ca 0.13 0.24 0.07 0.00 -0.02 0.00 0.00 57.16 57.58 1up4 n GLU 181 Cb 0.34 -1.73 0.33 0.00 -0.02 0.00 0.00 31.44 30.36 1up4 n GLU 181 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1up4 n ASP 182 N -2.03 0.00 -4.56 1.62 9.92 -0.75 -4.70 116.55 116.05 1up4 n ASP 182 Ca 0.05 0.31 -0.36 0.00 -0.53 0.00 0.00 54.79 54.26 1up4 n ASP 182 Cb 0.33 -0.40 -0.11 0.00 -0.64 0.00 0.00 41.12 40.30 1up4 n ASP 182 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1up4 s VAL 183 N -2.80 4.69 -0.07 2.53 1.01 -0.91 -0.82 120.40 124.03 1up4 s VAL 183 Ca 0.10 -0.05 0.02 0.00 0.00 0.00 0.00 61.98 62.04 1up4 s VAL 183 Cb 0.10 -3.16 0.02 0.00 0.00 0.00 0.00 36.38 33.33 1up4 s VAL 183 CO 0.24 0.39 -0.11 0.12 0.00 0.00 0.00 175.10 175.74 1up4 s PHE 184 N 1.00 1.38 0.10 5.22 2.19 0.29 -5.01 117.98 123.16 1up4 s PHE 184 Ca 0.05 -0.53 0.07 0.00 0.33 0.00 0.00 56.93 56.84 1up4 s PHE 184 Cb -0.14 -1.05 -0.04 0.00 -1.31 0.00 0.00 43.02 40.48 1up4 s PHE 184 CO 0.03 -0.31 -0.10 -0.51 1.83 0.00 0.00 175.22 176.17 1up4 s LEU 185 N 0.86 3.04 -0.42 6.12 1.02 -1.26 -0.67 118.68 127.37 1up4 s LEU 185 Ca -0.11 -0.38 -0.18 0.00 0.02 0.00 0.00 54.13 53.48 1up4 s LEU 185 Cb -0.15 -1.83 0.02 0.00 0.02 0.00 0.00 46.19 44.25 1up4 s LEU 185 CO 0.01 0.18 0.51 -0.75 0.02 0.00 0.00 176.35 176.33 1up4 s LYS 186 N -2.17 3.21 -0.02 1.70 2.20 -0.46 -4.94 119.74 119.28 1up4 s LYS 186 Ca 0.21 -0.57 0.00 0.00 -0.36 0.00 0.00 55.97 55.25 1up4 s LYS 186 Cb -0.11 -3.95 0.02 0.00 -1.51 0.00 0.00 37.83 32.28 1up4 s LYS 186 CO 0.13 -0.88 0.02 -0.47 -0.36 0.00 0.00 175.35 173.78 1up4 s TYR 187 N 2.39 0.07 0.14 4.03 6.14 -1.26 -1.12 117.35 127.75 1up4 s TYR 187 Ca 0.16 0.07 -0.24 0.00 0.64 0.00 0.00 57.07 57.70 1up4 s TYR 187 Cb -0.16 -0.20 0.07 0.00 0.42 0.00 0.00 41.96 42.09 1up4 s TYR 187 CO 0.15 -0.07 0.74 1.52 0.64 0.00 0.00 175.55 178.54 1up4 s TYR 188 N 0.75 -0.37 -4.90 4.97 1.13 -0.78 -4.34 117.35 113.81 1up4 s TYR 188 Ca -0.06 0.12 0.00 0.00 -1.41 0.00 0.00 57.07 55.71 1up4 s TYR 188 Cb -0.09 0.59 0.00 0.00 -1.10 0.00 0.00 41.96 41.36 1up4 s TYR 188 CO -0.02 -0.85 0.00 0.41 -2.51 0.00 0.00 175.55 172.58 1up4 n GLY 189 N -0.37 0.98 3.91 5.49 0.00 -1.21 -0.63 105.19 113.35 1up4 n GLY 189 Ca -0.11 -1.90 -0.20 0.00 0.00 0.00 0.00 46.02 43.81 1up4 n GLY 189 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1up4 s LEU 190 N 0.00 3.70 0.09 0.99 1.02 -0.56 0.13 118.68 124.05 1up4 s LEU 190 Ca 0.00 -0.42 -0.32 0.00 0.02 0.00 0.00 54.13 53.41 1up4 s LEU 190 Cb 0.00 -2.40 -0.11 0.00 0.02 0.00 0.00 46.19 43.69 1up4 s LEU 190 CO 0.00 -0.44 1.82 -3.20 0.02 0.00 0.00 176.35 174.55 1up4 n ASN 191 N -1.52 3.83 -1.03 2.29 2.85 -1.26 -0.71 115.26 119.72 1up4 n ASN 191 Ca 0.00 0.99 -0.13 0.00 -0.11 0.00 0.00 54.58 55.33 1up4 n ASN 191 Cb 0.59 -1.50 -0.05 0.00 1.24 0.00 0.00 39.78 40.06 1up4 n ASN 191 CO 0.00 0.00 0.00 1.41 -2.11 0.00 0.00 177.26 176.56 1up4 n HIS 192 N 5.65 -0.03 -2.79 1.20 8.25 -1.26 -4.86 115.22 121.37 1up4 n HIS 192 Ca 0.19 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.55 1up4 n HIS 192 Cb 0.35 -2.39 0.07 0.00 1.12 0.00 0.00 29.99 29.14 1up4 n HIS 192 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1up4 n LEU 193 N -1.50 -1.32 -4.46 2.41 0.00 0.11 -4.53 117.00 107.70 1up4 n LEU 193 Ca -0.13 -3.87 -0.23 0.00 0.00 0.00 0.00 56.01 51.78 1up4 n LEU 193 Cb 0.44 0.61 -0.10 0.00 0.00 0.00 0.00 43.42 44.37 1up4 n LEU 193 CO 0.20 2.02 -0.37 -0.94 0.00 0.00 0.00 177.39 178.30 1up4 s SER 194 N -1.63 3.05 -0.04 1.96 1.04 -1.20 -1.50 113.70 115.38 1up4 s SER 194 Ca 0.26 -1.20 -0.03 0.00 0.48 0.00 0.00 55.95 55.45 1up4 s SER 194 Cb 0.35 -0.22 0.01 0.00 0.10 0.00 0.00 66.02 66.26 1up4 s SER 194 CO -0.06 -0.31 0.11 -0.36 0.98 0.00 0.00 173.24 173.60 1up4 s PHE 195 N -2.90 -0.12 -0.15 5.02 0.40 0.20 -1.65 117.98 118.78 1up4 s PHE 195 Ca 0.31 0.31 -0.01 0.00 -0.60 0.00 0.00 56.93 56.93 1up4 s PHE 195 Cb 0.03 0.01 -0.02 0.00 0.51 0.00 0.00 43.02 43.56 1up4 s PHE 195 CO 0.13 -0.07 -0.10 0.42 0.70 0.00 0.00 175.22 176.30 1up4 s ILE 196 N 0.25 3.26 -0.12 0.64 1.01 0.12 -1.86 121.20 124.49 1up4 s ILE 196 Ca -0.02 -0.58 0.13 0.00 0.00 0.00 0.00 60.65 60.18 1up4 s ILE 196 Cb -0.03 -2.40 -0.18 0.00 0.01 0.00 0.00 42.46 39.87 1up4 s ILE 196 CO -0.01 0.50 0.08 1.21 0.00 0.00 0.00 174.94 176.73 1up4 n GLU 197 N 3.72 1.57 -3.80 2.79 2.13 -0.27 -0.53 120.64 126.25 1up4 n GLU 197 Ca -0.18 -0.02 -0.13 0.00 0.66 0.00 0.00 57.16 57.49 1up4 n GLU 197 Cb 0.52 -1.36 -0.13 0.00 0.27 0.00 0.00 31.44 30.75 1up4 n GLU 197 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1up4 s LYS 198 N -2.43 0.15 -0.12 5.31 -0.14 -1.23 -4.95 119.74 116.34 1up4 s LYS 198 Ca -0.07 0.26 0.03 0.00 -1.36 0.00 0.00 55.97 54.83 1up4 s LYS 198 Cb 0.05 0.01 0.01 0.00 -1.68 0.00 0.00 37.83 36.22 1up4 s LYS 198 CO 0.57 -0.06 -0.21 0.08 -0.76 0.00 0.00 175.35 174.97 1up4 s VAL 199 N 0.40 1.94 -0.09 3.17 1.01 -1.26 -1.35 120.40 124.22 1up4 s VAL 199 Ca -0.03 -0.92 0.05 0.00 0.00 0.00 0.00 61.98 61.08 1up4 s VAL 199 Cb -0.04 -1.71 -0.00 0.00 0.00 0.00 0.00 36.38 34.63 1up4 s VAL 199 CO -0.02 0.53 -0.24 -0.36 0.00 0.00 0.00 175.10 175.01 1up4 s PHE 200 N 0.68 2.53 -0.12 5.22 0.08 0.16 -0.99 117.98 125.54 1up4 s PHE 200 Ca -0.11 -0.96 0.00 0.00 0.12 0.00 0.00 56.93 55.98 1up4 s PHE 200 Cb -0.16 -1.68 0.02 0.00 -0.57 0.00 0.00 43.02 40.63 1up4 s PHE 200 CO 0.02 -0.37 -0.11 0.08 -0.10 0.00 0.00 175.22 174.75 1up4 s VAL 201 N 0.21 1.26 -1.38 -0.44 1.01 -0.31 -0.55 120.40 120.20 1up4 s VAL 201 Ca -0.15 -0.45 -0.11 0.00 0.00 0.00 0.00 61.98 61.27 1up4 s VAL 201 Cb -0.17 -1.22 0.08 0.00 0.00 0.00 0.00 36.38 35.07 1up4 s VAL 201 CO 0.08 0.41 0.60 0.29 0.00 0.00 0.00 175.10 176.47 1up4 n LYS 202 N 4.73 -3.73 0.00 2.72 5.02 0.00 -1.47 118.16 125.43 1up4 n LYS 202 Ca -0.15 0.50 0.00 0.00 -2.02 0.00 0.00 58.31 56.64 1up4 n LYS 202 Cb 0.50 -5.25 0.00 0.00 -0.02 0.00 0.00 35.03 30.27 1up4 n LYS 202 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1up4 n GLY 203 N -1.29 3.17 3.75 0.72 0.00 -1.26 -5.04 105.19 105.25 1up4 n GLY 203 Ca -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1up4 n GLY 203 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1up4 s GLU 204 N -0.43 4.71 -0.40 1.61 2.12 -0.54 -5.00 118.70 120.76 1up4 s GLU 204 Ca 0.00 1.35 -0.29 0.00 0.36 0.00 0.00 54.97 56.39 1up4 s GLU 204 Cb 0.00 -3.30 0.01 0.00 0.26 0.00 0.00 34.13 31.09 1up4 s GLU 204 CO 0.00 0.44 1.46 0.34 -0.54 0.00 0.00 175.26 176.96 1up4 s ASP 205 N -0.80 6.27 -0.09 -1.70 -1.08 -1.26 -1.16 116.67 116.85 1up4 s ASP 205 Ca 0.41 0.88 0.12 0.00 -0.52 0.00 0.00 52.55 53.43 1up4 s ASP 205 Cb -0.24 -2.54 0.26 0.00 -1.46 0.00 0.00 42.92 38.94 1up4 s ASP 205 CO 0.29 -1.47 1.18 1.33 0.52 0.00 0.00 175.17 177.02 1up4 n VAL 206 N 7.13 1.61 -0.09 1.11 0.24 -0.16 -4.76 118.33 123.41 1up4 n VAL 206 Ca 0.17 -1.67 -0.06 0.00 -2.04 0.00 0.00 64.34 60.74 1up4 n VAL 206 Cb 0.48 0.06 0.00 0.00 -1.47 0.00 0.00 33.84 32.91 1up4 n VAL 206 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 1up4 h THR 207 N 0.64 0.45 -0.76 3.34 2.02 -1.87 -0.31 112.91 116.42 1up4 h THR 207 Ca 0.00 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.26 1up4 h THR 207 Cb 0.92 0.45 -0.06 0.00 -1.74 0.00 0.00 68.15 67.71 1up4 h THR 207 CO 0.05 0.00 0.43 -0.33 0.37 0.00 0.00 175.52 176.04 1up4 h GLU 208 N -0.14 0.74 -0.25 6.66 4.39 -1.93 -1.45 114.58 122.60 1up4 h GLU 208 Ca 0.17 -0.04 -0.08 0.00 0.34 0.00 0.00 59.36 59.75 1up4 h GLU 208 Cb 0.41 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 1up4 h GLU 208 CO -0.43 0.49 -0.19 0.87 -1.16 0.00 0.00 179.01 178.58 1up4 h LYS 209 N 0.76 0.44 -0.25 2.33 1.57 -1.68 -1.90 116.57 117.85 1up4 h LYS 209 Ca 0.35 -0.14 -0.18 0.00 -1.87 0.00 0.00 60.65 58.81 1up4 h LYS 209 Cb 0.27 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 1up4 h LYS 209 CO -0.22 0.62 -0.56 0.28 -0.57 0.00 0.00 179.45 179.00 1up4 h VAL 210 N 0.40 1.29 -0.38 0.50 2.07 -0.30 -2.30 116.25 117.53 1up4 h VAL 210 Ca 0.07 -1.77 -0.04 0.00 0.82 0.00 0.00 66.70 65.77 1up4 h VAL 210 Cb 0.57 1.70 -0.01 0.00 -1.52 0.00 0.00 31.29 32.02 1up4 h VAL 210 CO 0.04 0.57 0.07 -0.26 0.02 0.00 0.00 177.57 178.00 1up4 h PHE 211 N 0.58 0.66 -0.34 1.57 0.04 -1.05 -1.26 116.94 117.13 1up4 h PHE 211 Ca 0.01 -0.09 -0.03 0.00 2.80 0.00 0.00 57.97 60.66 1up4 h PHE 211 Cb 1.15 -0.18 -0.02 0.00 2.20 0.00 0.00 35.95 39.10 1up4 h PHE 211 CO 0.06 0.66 0.07 0.93 -0.60 0.00 0.00 178.31 179.43 1up4 h GLU 212 N 0.47 0.50 -0.06 1.51 4.39 -1.33 -2.38 114.58 117.68 1up4 h GLU 212 Ca 0.12 -0.08 -0.17 0.00 0.34 0.00 0.00 59.36 59.57 1up4 h GLU 212 Cb 0.35 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 1up4 h GLU 212 CO 0.01 0.48 -0.68 -0.97 -1.16 0.00 0.00 179.01 176.68 1up4 h ASN 213 N 0.49 0.33 0.88 1.42 -0.73 -1.24 -3.09 115.58 113.65 1up4 h ASN 213 Ca 0.12 -0.21 0.00 0.00 1.87 0.00 0.00 56.30 58.07 1up4 h ASN 213 Cb 0.21 -0.10 0.00 0.00 0.27 0.00 0.00 38.32 38.71 1up4 h ASN 213 CO -0.00 0.92 0.00 -0.07 -0.37 0.00 0.00 177.43 177.91 1up4 h LEU 214 N 0.20 0.00 -0.53 0.34 4.07 -0.69 -2.63 115.31 116.07 1up4 h LEU 214 Ca -0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.94 1up4 h LEU 214 Cb 1.23 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.97 1up4 h LEU 214 CO 0.11 0.00 -0.10 0.29 -1.08 0.00 0.00 178.44 177.66 1up4 n LYS 215 N -2.71 1.09 -3.78 1.13 5.02 -1.17 -4.40 118.16 113.35 1up4 n LYS 215 Ca 0.01 -0.53 -0.28 0.00 -2.02 0.00 0.00 58.31 55.50 1up4 n LYS 215 Cb 0.27 -1.49 -0.11 0.00 -0.02 0.00 0.00 35.03 33.68 1up4 n LYS 215 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1up4 n LEU 216 N -0.49 2.57 0.07 -0.35 4.77 -0.99 -5.06 117.00 117.52 1up4 n LEU 216 Ca 0.16 -5.11 0.00 0.00 -0.03 0.00 0.00 56.01 51.03 1up4 n LEU 216 Cb 0.30 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 1up4 n LEU 216 CO 0.21 1.80 0.00 1.17 -1.33 0.00 0.00 177.39 179.25 1up4 n LYS 217 N 1.96 0.00 0.06 3.23 4.81 -1.26 -5.02 118.16 121.94 1up4 n LYS 217 Ca 0.22 0.00 0.05 0.00 -0.87 0.00 0.00 58.31 57.71 1up4 n LYS 217 Cb 0.38 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.37 1up4 n LYS 217 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1up4 n ASP 223 N -2.83 0.84 -0.37 3.14 2.03 -1.26 -5.17 116.55 112.94 1up4 n ASP 223 Ca 0.00 0.35 0.13 0.00 0.52 0.00 0.00 54.79 55.79 1up4 n ASP 223 Cb 0.00 0.30 0.57 0.00 -0.72 0.00 0.00 41.12 41.27 1up4 n ASP 223 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1up4 n GLU 224 N -2.80 1.50 -4.50 -0.67 2.13 -1.26 -4.89 120.64 110.15 1up4 n GLU 224 Ca -0.06 -0.74 -0.25 0.00 0.66 0.00 0.00 57.16 56.77 1up4 n GLU 224 Cb 0.72 -1.45 -0.10 0.00 0.27 0.00 0.00 31.44 30.88 1up4 n GLU 224 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1up4 s ASP 225 N -1.86 3.55 0.40 4.31 2.15 -1.26 -5.06 116.67 118.90 1up4 s ASP 225 Ca 0.38 -1.14 -0.27 0.00 0.43 0.00 0.00 52.55 51.94 1up4 s ASP 225 Cb 0.20 -0.31 -0.10 0.00 -0.30 0.00 0.00 42.92 42.41 1up4 s ASP 225 CO 0.31 -0.15 1.47 -0.36 -0.17 0.00 0.00 175.17 176.28 1up4 s PHE 226 N -2.64 2.54 0.83 -5.34 0.08 -1.26 -5.00 117.98 107.19 1up4 s PHE 226 Ca 0.31 1.19 -0.12 0.00 0.12 0.00 0.00 56.93 58.44 1up4 s PHE 226 Cb 0.00 -4.00 0.09 0.00 -0.57 0.00 0.00 43.02 38.54 1up4 s PHE 226 CO 0.15 -3.00 1.10 -1.25 -0.10 0.00 0.00 175.22 172.13 1up4 s PRO 227 N -2.20 1.80 0.19 0.24 0.04 -1.26 -4.95 135.00 128.85 1up4 s PRO 227 Ca 0.55 0.58 -0.12 0.00 0.04 0.00 0.00 61.00 62.05 1up4 s PRO 227 Cb -0.46 -1.89 0.16 0.00 0.04 0.00 0.00 34.50 32.35 1up4 s PRO 227 CO 0.61 -1.81 1.79 1.15 0.04 0.00 0.00 177.00 178.79 1up4 h THR 228 N -1.22 0.95 -0.55 1.26 2.02 -1.97 -2.15 112.91 111.25 1up4 h THR 228 Ca -0.48 -0.18 0.11 0.00 0.77 0.00 0.00 66.41 66.63 1up4 h THR 228 Cb 1.28 0.38 -0.03 0.00 -1.74 0.00 0.00 68.15 68.05 1up4 h THR 228 CO 0.59 0.10 0.38 4.11 0.37 0.00 0.00 175.52 181.07 1up4 h TRP 229 N 0.52 0.29 -0.37 3.16 5.08 -1.99 -1.45 115.95 121.19 1up4 h TRP 229 Ca 0.24 0.01 0.05 0.00 1.08 0.00 0.00 58.89 60.27 1up4 h TRP 229 Cb 0.15 -0.09 -0.05 0.00 -3.00 0.00 0.00 29.16 26.17 1up4 h TRP 229 CO -0.10 0.13 0.10 0.35 -1.28 0.00 0.00 178.44 177.64 1up4 h PHE 230 N 0.26 0.16 -0.29 0.12 3.57 -1.75 -0.16 116.94 118.85 1up4 h PHE 230 Ca 0.26 0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.63 1up4 h PHE 230 Cb 0.67 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.38 1up4 h PHE 230 CO -0.00 0.05 -0.43 1.88 -2.23 0.00 0.00 178.31 177.57 1up4 h TYR 231 N 0.23 0.89 -0.86 0.41 0.05 -1.35 0.16 116.97 116.50 1up4 h TYR 231 Ca 0.18 -0.28 0.08 0.00 0.05 0.00 0.00 58.73 58.76 1up4 h TYR 231 Cb 0.19 -0.18 -0.06 0.00 1.01 0.00 0.00 36.73 37.68 1up4 h TYR 231 CO -0.17 1.04 0.56 -0.44 -1.05 0.00 0.00 178.16 178.10 1up4 h ASP 232 N 0.60 0.82 0.00 3.88 5.19 -0.98 -1.72 116.42 124.21 1up4 h ASP 232 Ca 0.04 0.01 -0.20 0.00 -0.62 0.00 0.00 57.03 56.26 1up4 h ASP 232 Cb 0.98 -0.16 -0.03 0.00 0.18 0.00 0.00 39.33 40.30 1up4 h ASP 232 CO 0.09 0.51 -1.12 0.28 -3.12 0.00 0.00 179.24 175.88 1up4 h SER 233 N 0.92 0.00 0.48 6.45 0.02 -0.74 -3.38 113.55 117.30 1up4 h SER 233 Ca 0.38 -0.50 -0.18 0.00 -0.84 0.00 0.00 61.79 60.65 1up4 h SER 233 Cb 0.29 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 1up4 h SER 233 CO -0.15 1.40 -0.80 0.58 -1.14 0.00 0.00 176.83 176.73 1up4 h VAL 234 N -1.00 1.45 -6.56 2.27 2.07 -1.08 -3.47 116.25 109.92 1up4 h VAL 234 Ca -0.30 -2.40 -0.52 0.00 0.82 0.00 0.00 66.70 64.30 1up4 h VAL 234 Cb 1.22 2.31 -0.13 0.00 -1.52 0.00 0.00 31.29 33.16 1up4 h VAL 234 CO -0.18 0.70 -0.81 0.54 0.02 0.00 0.00 177.57 177.85 1up4 n ARG 235 N -3.74 -4.11 -4.29 1.57 1.74 -0.65 -5.00 116.66 102.19 1up4 n ARG 235 Ca -0.04 0.46 -0.18 0.00 -0.77 0.00 0.00 57.85 57.33 1up4 n ARG 235 Cb 0.75 -5.23 -0.14 0.00 -1.02 0.00 0.00 32.46 26.82 1up4 n ARG 235 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1up4 s LEU 236 N -7.26 2.12 -0.11 0.55 1.43 -1.26 -4.88 118.68 109.27 1up4 s LEU 236 Ca 0.68 -0.34 -0.26 0.00 -1.03 0.00 0.00 54.13 53.18 1up4 s LEU 236 Cb -0.36 -0.45 -0.02 0.00 0.03 0.00 0.00 46.19 45.39 1up4 s LEU 236 CO 0.89 0.02 0.82 -0.63 0.23 0.00 0.00 176.35 177.68 1up4 s ILE 237 N -0.66 4.93 -0.09 -0.59 1.01 0.31 -4.89 121.20 121.21 1up4 s ILE 237 Ca 0.00 1.65 0.02 0.00 0.00 0.00 0.00 60.65 62.33 1up4 s ILE 237 Cb -0.06 -4.14 -0.02 0.00 0.01 0.00 0.00 42.46 38.25 1up4 s ILE 237 CO 0.00 0.12 -0.14 -0.69 0.00 0.00 0.00 174.94 174.23 1up4 s VAL 238 N 1.54 2.99 0.27 2.92 1.01 -1.26 0.13 120.40 127.99 1up4 s VAL 238 Ca 0.41 -0.72 -0.30 0.00 0.00 0.00 0.00 61.98 61.37 1up4 s VAL 238 Cb -0.18 -2.21 -0.13 0.00 0.00 0.00 0.00 36.38 33.87 1up4 s VAL 238 CO 0.17 0.56 1.37 -3.20 0.00 0.00 0.00 175.10 173.99 1up4 n ASN 239 N 2.97 2.71 0.28 3.32 2.85 -0.66 -4.88 115.26 121.85 1up4 n ASN 239 Ca -0.18 1.16 0.13 0.00 -0.11 0.00 0.00 54.58 55.59 1up4 n ASN 239 Cb 0.52 -1.44 0.84 0.00 1.24 0.00 0.00 39.78 40.94 1up4 n ASN 239 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1up4 h PRO 240 N 3.73 0.00 0.00 1.20 0.11 -1.94 -0.97 132.00 134.13 1up4 h PRO 240 Ca -0.45 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 1up4 h PRO 240 Cb 1.28 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.39 1up4 h PRO 240 CO 0.72 0.02 -0.06 1.88 -0.21 0.00 0.00 178.00 180.35 1up4 h TYR 241 N 0.00 0.00 0.00 0.65 -1.99 -1.90 -1.79 116.97 111.95 1up4 h TYR 241 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1up4 h TYR 241 Cb 0.06 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.79 1up4 h TYR 241 CO 0.00 0.06 0.00 1.28 -0.00 0.00 0.00 178.16 179.50 1up4 n LEU 242 N -3.58 0.10 0.09 3.88 4.77 -0.37 -1.34 117.00 120.55 1up4 n LEU 242 Ca -0.02 0.53 0.13 0.00 -0.03 0.00 0.00 56.01 56.62 1up4 n LEU 242 Cb 0.17 -0.53 0.62 0.00 -2.33 0.00 0.00 43.42 41.35 1up4 n LEU 242 CO 0.28 -0.42 1.14 0.03 -1.33 0.00 0.00 177.39 177.08 1up4 h ARG 243 N 0.00 0.11 0.00 3.23 3.08 -1.51 -0.02 114.38 119.26 1up4 h ARG 243 Ca 0.00 -0.01 -0.09 0.00 0.07 0.00 0.00 59.98 59.95 1up4 h ARG 243 Cb 0.15 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 1up4 h ARG 243 CO 0.00 0.07 -0.45 1.88 -1.07 0.00 0.00 179.97 180.41 1up4 h TYR 244 N 0.11 0.00 0.03 3.04 0.05 -1.45 -3.19 116.97 115.57 1up4 h TYR 244 Ca 0.15 0.00 -0.18 0.00 0.05 0.00 0.00 58.73 58.74 1up4 h TYR 244 Cb 0.44 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.16 1up4 h TYR 244 CO -0.00 0.45 -0.98 1.88 -1.05 0.00 0.00 178.16 178.46 1up4 h TYR 245 N 0.00 0.11 -0.30 4.88 -1.99 -1.54 -3.27 116.97 114.87 1up4 h TYR 245 Ca -0.00 -0.08 -0.12 0.00 2.00 0.00 0.00 58.73 60.53 1up4 h TYR 245 Cb 0.85 -0.00 -0.07 0.00 2.00 0.00 0.00 36.73 39.50 1up4 h TYR 245 CO 0.00 1.38 0.15 1.28 -0.00 0.00 0.00 178.16 180.97 1up4 n LEU 246 N -4.34 3.72 0.00 3.88 7.99 -0.09 -4.99 117.00 123.16 1up4 n LEU 246 Ca -0.25 -1.92 0.00 0.00 -0.01 0.00 0.00 56.01 53.84 1up4 n LEU 246 Cb 0.69 -0.60 0.00 0.00 -0.11 0.00 0.00 43.42 43.40 1up4 n LEU 246 CO 0.28 0.58 0.00 1.21 -1.51 0.00 0.00 177.39 177.96 1up4 n GLU 248 N 0.03 0.00 -0.10 3.23 2.13 -1.23 -5.04 120.64 119.66 1up4 n GLU 248 Ca 0.17 0.00 -0.07 0.00 0.66 0.00 0.00 57.16 57.92 1up4 n GLU 248 Cb 0.79 0.00 0.01 0.00 0.27 0.00 0.00 31.44 32.51 1up4 n GLU 248 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 1up4 h LYS 249 N 0.00 0.30 -0.51 5.31 1.57 -1.92 0.38 116.57 121.70 1up4 h LYS 249 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1up4 h LYS 249 Cb 0.00 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.24 1up4 h LYS 249 CO 0.00 0.20 0.00 1.63 -0.57 0.00 0.00 179.45 180.71 1up4 n LYS 250 N -4.98 0.18 0.00 3.15 5.02 -1.26 -2.02 118.16 118.24 1up4 n LYS 250 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1up4 n LYS 250 Cb 0.10 -1.15 0.00 0.00 -0.02 0.00 0.00 35.03 33.96 1up4 n LYS 250 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1up4 n PHE 252 N 0.51 0.00 0.18 2.13 7.35 0.13 -2.11 117.46 125.66 1up4 n PHE 252 Ca 0.00 0.00 0.02 0.00 -0.76 0.00 0.00 57.45 56.71 1up4 n PHE 252 Cb 0.05 0.00 0.34 0.00 0.35 0.00 0.00 39.48 40.23 1up4 n PHE 252 CO 0.00 0.00 0.00 -0.22 -0.76 0.00 0.00 176.76 175.78 1up4 h LYS 253 N 0.00 0.00 0.17 -4.13 1.63 -1.64 -1.71 116.57 110.89 1up4 h LYS 253 Ca 0.00 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 1up4 h LYS 253 Cb 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 1up4 h LYS 253 CO 0.00 0.39 -0.08 -0.22 -3.45 0.00 0.00 179.45 176.09 1up4 h LYS 254 N 0.00 -0.22 -0.59 1.90 3.64 -1.69 -3.07 116.57 116.53 1up4 h LYS 254 Ca -0.00 0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.34 1up4 h LYS 254 Cb 0.69 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.54 1up4 h LYS 254 CO 0.05 0.19 0.17 0.82 -2.27 0.00 0.00 179.45 178.41 1up4 h ILE 255 N -0.86 1.23 0.00 2.00 2.04 -1.82 -2.95 117.51 117.16 1up4 h ILE 255 Ca -0.02 -0.82 0.00 0.00 1.00 0.00 0.00 64.86 65.02 1up4 h ILE 255 Cb 0.52 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 37.20 1up4 h ILE 255 CO 0.04 0.31 0.00 -1.54 0.00 0.00 0.00 178.15 176.96 1up4 n SER 256 N -4.27 0.55 -0.63 1.72 3.41 -0.65 -3.54 113.62 110.21 1up4 n SER 256 Ca 0.05 0.57 0.07 0.00 -0.26 0.00 0.00 58.87 59.29 1up4 n SER 256 Cb 0.22 -0.71 0.18 0.00 -0.26 0.00 0.00 64.21 63.64 1up4 n SER 256 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1up4 n THR 257 N -2.04 1.61 -4.09 6.66 -2.24 -1.11 -4.99 114.28 108.08 1up4 n THR 257 Ca 0.05 -1.47 -0.07 0.00 -2.27 0.00 0.00 64.05 60.29 1up4 n THR 257 Cb 0.35 0.12 -0.10 0.00 -2.10 0.00 0.00 70.33 68.61 1up4 n THR 257 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1up4 s HIS 258 N -1.92 0.53 0.20 4.78 3.76 -1.22 -5.06 115.29 116.36 1up4 s HIS 258 Ca 0.29 -1.06 -0.30 0.00 -0.15 0.00 0.00 55.06 53.85 1up4 s HIS 258 Cb 0.21 -0.39 -0.16 0.00 1.11 0.00 0.00 32.58 33.35 1up4 s HIS 258 CO 0.10 -0.37 0.88 -1.91 -0.85 0.00 0.00 174.74 172.59 1up4 n GLU 259 N 0.13 0.69 -1.78 1.40 2.13 -1.26 -4.89 120.64 117.05 1up4 n GLU 259 Ca -0.14 0.24 -0.41 0.00 0.66 0.00 0.00 57.16 57.51 1up4 n GLU 259 Cb 0.61 -1.52 -0.01 0.00 0.27 0.00 0.00 31.44 30.79 1up4 n GLU 259 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1up4 s LEU 260 N 1.38 4.33 0.21 4.31 1.43 -1.26 -4.91 118.68 124.16 1up4 s LEU 260 Ca 0.67 3.02 -0.09 0.00 -1.03 0.00 0.00 54.13 56.70 1up4 s LEU 260 Cb -0.87 -3.65 0.25 0.00 0.03 0.00 0.00 46.19 41.94 1up4 s LEU 260 CO 0.56 -0.90 1.79 -0.09 0.23 0.00 0.00 176.35 177.94 1up4 h ARG 261 N 3.87 0.58 -0.81 1.70 9.65 -1.94 -1.90 114.38 125.53 1up4 h ARG 261 Ca -0.49 -0.03 0.14 0.00 -1.10 0.00 0.00 59.98 58.49 1up4 h ARG 261 Cb 1.23 -0.13 -0.06 0.00 -1.39 0.00 0.00 29.97 29.62 1up4 h ARG 261 CO 0.71 0.38 0.53 0.00 2.80 0.00 0.00 179.97 184.39 1up4 h ALA 262 N 1.36 1.96 -0.01 2.80 0.00 -1.91 0.97 119.26 124.43 1up4 h ALA 262 Ca 0.30 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.12 1up4 h ALA 262 Cb 0.25 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1up4 h ALA 262 CO -0.22 -0.17 -0.44 0.00 0.00 0.00 0.00 179.25 178.43 1up4 h ARG 263 N 0.56 0.03 0.01 0.00 3.08 -1.70 -2.85 114.38 113.51 1up4 h ARG 263 Ca 0.40 -0.01 -0.26 0.00 0.07 0.00 0.00 59.98 60.17 1up4 h ARG 263 Cb 0.74 -0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.80 1up4 h ARG 263 CO -0.15 0.46 -1.04 0.93 -1.07 0.00 0.00 179.97 179.10 1up4 h GLU 264 N 0.03 0.62 -2.02 0.04 5.08 -0.83 -3.07 114.58 114.42 1up4 h GLU 264 Ca -0.00 -0.69 -0.00 0.00 -1.00 0.00 0.00 59.36 57.67 1up4 h GLU 264 Cb 0.78 0.20 -0.00 0.00 0.50 0.00 0.00 28.75 30.23 1up4 h GLU 264 CO 0.06 1.28 0.01 1.55 -1.00 0.00 0.00 179.01 180.90 1up4 n VAL 265 N -3.82 0.68 0.00 3.13 3.14 -0.71 -1.62 118.33 119.13 1up4 n VAL 265 Ca -0.10 -0.18 0.00 0.00 -2.96 0.00 0.00 64.34 61.10 1up4 n VAL 265 Cb 0.88 -1.19 0.00 0.00 -1.06 0.00 0.00 33.84 32.48 1up4 n VAL 265 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 1up4 n LYS 267 N 1.87 0.00 -0.07 1.45 5.02 -1.16 -0.16 118.16 125.10 1up4 n LYS 267 Ca 0.01 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.18 1up4 n LYS 267 Cb 0.17 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.14 1up4 n LYS 267 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1up4 h ILE 268 N 0.00 1.23 -0.56 -0.18 2.04 -1.61 -2.62 117.51 115.81 1up4 h ILE 268 Ca 0.00 -0.78 -0.05 0.00 1.00 0.00 0.00 64.86 65.03 1up4 h ILE 268 Cb 0.00 1.32 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 1up4 h ILE 268 CO 0.00 0.24 0.16 -0.33 0.00 0.00 0.00 178.15 178.23 1up4 h GLU 269 N 0.16 0.88 -0.18 2.37 5.08 -0.83 -0.61 114.58 121.45 1up4 h GLU 269 Ca 0.07 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.21 1up4 h GLU 269 Cb 0.34 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1up4 h GLU 269 CO 0.01 0.81 0.02 -0.22 -1.00 0.00 0.00 179.01 178.62 1up4 h LYS 270 N 0.79 0.26 -0.01 2.33 3.64 -1.78 -0.33 116.57 121.46 1up4 h LYS 270 Ca 0.18 -0.03 -0.26 0.00 -1.27 0.00 0.00 60.65 59.27 1up4 h LYS 270 Cb 0.30 -0.05 0.02 0.00 -0.41 0.00 0.00 32.23 32.09 1up4 h LYS 270 CO -0.00 0.26 -1.01 0.93 -2.27 0.00 0.00 179.45 177.36 1up4 h GLU 271 N 0.26 0.67 -0.51 1.90 5.08 -1.01 -2.88 114.58 118.07 1up4 h GLU 271 Ca 0.06 -0.70 -0.07 0.00 -1.00 0.00 0.00 59.36 57.65 1up4 h GLU 271 Cb 0.14 0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 1up4 h GLU 271 CO -0.00 1.29 0.02 -0.07 -1.00 0.00 0.00 179.01 179.25 1up4 h LEU 272 N 0.38 0.82 -0.57 1.33 3.38 -0.73 -2.36 115.31 117.55 1up4 h LEU 272 Ca -0.12 -0.20 -0.11 0.00 0.09 0.00 0.00 57.88 57.55 1up4 h LEU 272 Cb 1.66 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 42.17 1up4 h LEU 272 CO 0.20 0.87 -0.07 -0.26 0.09 0.00 0.00 178.44 179.27 1up4 h PHE 273 N 0.79 1.18 -0.62 1.13 0.04 -1.07 -0.65 116.94 117.74 1up4 h PHE 273 Ca 0.15 -0.23 -0.05 0.00 2.80 0.00 0.00 57.97 60.64 1up4 h PHE 273 Cb 0.45 -0.30 -0.03 0.00 2.20 0.00 0.00 35.95 38.28 1up4 h PHE 273 CO 0.03 1.06 0.18 1.49 -0.60 0.00 0.00 178.31 180.47 1up4 h GLU 274 N 0.95 0.94 -0.47 1.51 4.57 -1.42 -2.56 114.58 118.10 1up4 h GLU 274 Ca 0.15 -0.19 -0.06 0.00 -1.18 0.00 0.00 59.36 58.09 1up4 h GLU 274 Cb 0.64 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 29.07 1up4 h GLU 274 CO 0.04 0.82 0.05 0.87 -1.18 0.00 0.00 179.01 179.62 1up4 h LYS 275 N 0.91 0.74 0.00 1.92 1.57 -0.87 -3.08 116.57 117.76 1up4 h LYS 275 Ca 0.20 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1up4 h LYS 275 Cb 0.28 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.49 1up4 h LYS 275 CO -0.01 0.72 -0.06 1.88 -0.57 0.00 0.00 179.45 181.41 1up4 h TYR 276 N 0.71 0.00 0.00 -1.35 0.05 -0.71 0.44 116.97 116.10 1up4 h TYR 276 Ca 0.15 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.91 1up4 h TYR 276 Cb 0.36 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.09 1up4 h TYR 276 CO 0.02 0.06 -0.10 0.00 -1.05 0.00 0.00 178.16 177.08 1up4 h ARG 277 N 0.00 0.00 0.00 4.88 3.08 -1.47 -3.36 114.38 117.51 1up4 h ARG 277 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1up4 h ARG 277 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.45 1up4 h ARG 277 CO 0.01 0.10 -0.43 0.25 -1.07 0.00 0.00 179.97 178.83 1up4 n THR 278 N -3.55 0.00 -1.64 2.04 -2.24 -1.07 -5.05 114.28 102.78 1up4 n THR 278 Ca -0.02 0.00 -0.63 0.00 -2.27 0.00 0.00 64.05 61.13 1up4 n THR 278 Cb 0.24 -0.12 -0.09 0.00 -2.10 0.00 0.00 70.33 68.25 1up4 n THR 278 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1up4 n ALA 279 N -0.91 -2.32 0.23 6.98 0.00 0.12 -4.88 120.51 119.72 1up4 n ALA 279 Ca 0.00 0.54 0.11 0.00 0.00 0.00 0.00 53.44 54.09 1up4 n ALA 279 Cb 0.11 -1.86 -0.08 0.00 0.00 0.00 0.00 19.45 17.62 1up4 n ALA 279 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1up4 n VAL 280 N 2.89 0.19 -4.03 0.00 0.24 -1.26 -4.96 118.33 111.40 1up4 n VAL 280 Ca 0.26 -0.42 -0.11 0.00 -2.04 0.00 0.00 64.34 62.03 1up4 n VAL 280 Cb 0.01 0.04 -0.11 0.00 -1.47 0.00 0.00 33.84 32.31 1up4 n VAL 280 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1up4 s GLU 281 N -3.37 0.43 0.02 7.34 0.41 -1.26 -4.80 118.70 117.47 1up4 s GLU 281 Ca -0.02 -0.72 -0.36 0.00 -0.41 0.00 0.00 54.97 53.45 1up4 s GLU 281 Cb 0.13 -0.07 -0.15 0.00 -1.78 0.00 0.00 34.13 32.26 1up4 s GLU 281 CO 0.85 -0.01 1.57 -0.89 -0.49 0.00 0.00 175.26 176.30 1up4 n ILE 282 N 1.43 0.15 -1.61 -1.63 5.41 -1.26 -4.93 119.36 116.92 1up4 n ILE 282 Ca -0.23 -0.03 -0.32 0.00 1.00 0.00 0.00 62.75 63.18 1up4 n ILE 282 Cb 0.55 -1.27 0.06 0.00 -0.71 0.00 0.00 39.64 38.26 1up4 n ILE 282 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1up4 s PRO 283 N 1.73 2.75 0.05 0.38 0.04 -1.26 -4.98 135.00 133.70 1up4 s PRO 283 Ca 0.87 1.19 -0.25 0.00 0.04 0.00 0.00 61.00 62.85 1up4 s PRO 283 Cb -0.85 -1.96 -0.17 0.00 0.04 0.00 0.00 34.50 31.56 1up4 s PRO 283 CO 0.48 -1.27 1.54 1.49 0.04 0.00 0.00 177.00 179.28 1up4 h GLU 284 N -0.42 -0.16 -0.81 4.56 4.81 -2.01 -3.24 114.58 117.30 1up4 h GLU 284 Ca -0.45 0.01 0.30 0.00 -0.13 0.00 0.00 59.36 59.09 1up4 h GLU 284 Cb 1.23 0.04 -0.15 0.00 0.63 0.00 0.00 28.75 30.50 1up4 h GLU 284 CO 0.54 0.04 0.31 -1.91 -0.73 0.00 0.00 179.01 177.26 1up4 n GLU 285 N -5.08 -0.05 0.35 1.92 2.13 -1.26 0.71 120.64 119.35 1up4 n GLU 285 Ca -0.08 1.15 -0.16 0.00 0.66 0.00 0.00 57.16 58.72 1up4 n GLU 285 Cb 0.16 -1.99 -0.08 0.00 0.27 0.00 0.00 31.44 29.79 1up4 n GLU 285 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1up4 h LEU 286 N 0.00 -0.75 -0.78 4.31 5.85 -1.97 -3.37 115.31 118.60 1up4 h LEU 286 Ca 0.63 -0.01 0.13 0.00 0.84 0.00 0.00 57.88 59.47 1up4 h LEU 286 Cb 1.58 0.19 -0.09 0.00 0.37 0.00 0.00 40.66 42.72 1up4 h LEU 286 CO -0.67 -0.44 0.38 0.74 -0.34 0.00 0.00 178.44 178.11 1up4 h THR 287 N -1.05 0.75 -2.85 1.05 2.02 0.19 -2.75 112.91 110.27 1up4 h THR 287 Ca -0.09 -0.20 -0.80 0.00 0.77 0.00 0.00 66.41 66.09 1up4 h THR 287 Cb 0.72 0.12 -0.27 0.00 -1.74 0.00 0.00 68.15 66.99 1up4 h THR 287 CO 0.15 0.11 0.86 0.29 0.37 0.00 0.00 175.52 177.30 1up4 n LYS 288 N -4.90 4.29 -3.78 6.66 5.02 -1.15 -4.63 118.16 119.68 1up4 n LYS 288 Ca 0.14 -4.45 -0.03 0.00 -2.02 0.00 0.00 58.31 51.95 1up4 n LYS 288 Cb 0.37 -2.56 -0.01 0.00 -0.02 0.00 0.00 35.03 32.82 1up4 n LYS 288 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1up4 s ARG 289 N -2.29 1.24 0.00 1.97 6.06 -1.04 -4.98 118.95 119.91 1up4 s ARG 289 Ca 0.32 -0.71 0.00 0.00 -2.50 0.00 0.00 55.73 52.84 1up4 s ARG 289 Cb 0.03 0.40 0.00 0.00 0.06 0.00 0.00 34.95 35.45 1up4 s ARG 289 CO 0.08 -0.57 0.00 0.41 -2.50 0.00 0.00 175.30 172.72 1up4 n GLY 290 N -0.52 0.47 2.66 8.12 0.00 -1.26 -1.54 105.19 113.12 1up4 n GLY 290 Ca -0.06 0.56 -0.09 0.00 0.00 0.00 0.00 46.02 46.43 1up4 n GLY 290 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1up4 n GLY 291 N 0.00 1.54 1.69 -0.02 0.00 -1.26 -5.11 105.19 102.03 1up4 n GLY 291 Ca 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.72 1up4 n GLY 291 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1up4 n SER 292 N -0.06 0.00 0.00 1.61 2.88 -0.59 -4.58 113.62 112.88 1up4 n SER 292 Ca 0.09 -0.03 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 1up4 n SER 292 Cb 0.82 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.28 1up4 n SER 292 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1up4 n TYR 294 N 0.77 0.00 0.11 0.66 4.11 -1.26 -4.75 117.16 116.80 1up4 n TYR 294 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.90 57.77 1up4 n TYR 294 Cb 0.00 -0.04 -0.08 0.00 -0.00 0.00 0.00 39.34 39.23 1up4 n TYR 294 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.86 177.89 1up4 h SER 295 N 0.00 -0.19 -0.76 9.48 0.87 -1.88 -1.99 113.55 119.08 1up4 h SER 295 Ca 0.00 -0.03 0.04 0.00 -1.23 0.00 0.00 61.79 60.57 1up4 h SER 295 Cb 0.00 0.05 -0.05 0.00 -0.44 0.00 0.00 62.40 61.96 1up4 h SER 295 CO 0.00 -0.09 0.47 0.74 -0.53 0.00 0.00 176.83 177.42 1up4 h THR 296 N -0.27 1.08 -0.38 2.23 2.02 -1.87 -1.63 112.91 114.10 1up4 h THR 296 Ca -0.02 -0.31 0.02 0.00 0.77 0.00 0.00 66.41 66.87 1up4 h THR 296 Cb 0.21 0.10 -0.03 0.00 -1.74 0.00 0.00 68.15 66.69 1up4 h THR 296 CO 0.04 0.16 0.20 0.00 0.37 0.00 0.00 175.52 176.29 1up4 h ALA 297 N 1.34 0.47 0.00 6.16 0.00 -1.89 -0.11 119.26 125.23 1up4 h ALA 297 Ca 0.31 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 1up4 h ALA 297 Cb 0.06 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1up4 h ALA 297 CO -0.13 -0.15 -0.00 0.00 0.00 0.00 0.00 179.25 178.97 1up4 h ALA 298 N 1.18 -0.00 -0.45 0.00 0.00 -0.93 -1.45 119.26 117.61 1up4 h ALA 298 Ca 0.15 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 1up4 h ALA 298 Cb 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1up4 h ALA 298 CO -0.09 -0.41 -0.22 0.00 0.00 0.00 0.00 179.25 178.53 1up4 h ALA 299 N 0.82 0.76 -0.43 0.00 0.00 -1.15 -1.10 119.26 118.16 1up4 h ALA 299 Ca -0.00 -0.39 -0.09 0.00 0.00 0.00 0.00 54.91 54.43 1up4 h ALA 299 Cb 0.18 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1up4 h ALA 299 CO 0.00 0.66 -0.10 0.45 0.00 0.00 0.00 179.25 180.26 1up4 h HIS 300 N 0.79 0.84 -0.24 0.00 3.86 -0.96 -0.64 115.15 118.79 1up4 h HIS 300 Ca 0.11 -0.15 -0.05 0.00 -1.16 0.00 0.00 60.37 59.12 1up4 h HIS 300 Cb 0.77 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 29.02 1up4 h HIS 300 CO 0.05 0.84 -0.03 1.25 0.86 0.00 0.00 177.93 180.89 1up4 h LEU 301 N 0.70 0.45 -0.69 2.43 5.85 -0.81 -2.40 115.31 120.84 1up4 h LEU 301 Ca 0.12 -0.34 -0.11 0.00 0.84 0.00 0.00 57.88 58.39 1up4 h LEU 301 Cb 0.58 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 1up4 h LEU 301 CO 0.04 0.68 -0.15 0.40 -0.34 0.00 0.00 178.44 179.06 1up4 h ILE 302 N 0.21 1.27 -0.78 4.05 2.04 -1.05 -0.58 117.51 122.67 1up4 h ILE 302 Ca 0.07 -1.26 0.14 0.00 1.00 0.00 0.00 64.86 64.80 1up4 h ILE 302 Cb 0.47 1.08 -0.09 0.00 -0.74 0.00 0.00 36.82 37.54 1up4 h ILE 302 CO 0.02 0.43 0.35 -0.09 0.00 0.00 0.00 178.15 178.86 1up4 h ARG 303 N 0.76 0.51 0.00 2.37 2.43 -1.04 -1.81 114.38 117.60 1up4 h ARG 303 Ca 0.12 -0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 59.14 1up4 h ARG 303 Cb 0.67 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.09 1up4 h ARG 303 CO 0.05 0.34 -1.25 -0.44 -1.51 0.00 0.00 179.97 177.15 1up4 h ASP 304 N 0.52 0.00 0.12 -3.80 3.32 -0.88 -1.80 116.42 113.90 1up4 h ASP 304 Ca 0.42 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.43 1up4 h ASP 304 Cb 0.60 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.14 1up4 h ASP 304 CO -0.37 0.39 -0.16 -0.07 -1.72 0.00 0.00 179.24 177.31 1up4 h LEU 305 N 0.00 0.09 0.16 1.55 4.07 -1.01 -3.29 115.31 116.89 1up4 h LEU 305 Ca -0.11 -0.02 -0.28 0.00 0.08 0.00 0.00 57.88 57.55 1up4 h LEU 305 Cb 1.39 -0.02 0.01 0.00 1.08 0.00 0.00 40.66 43.12 1up4 h LEU 305 CO 0.03 0.27 -1.35 -0.33 -1.08 0.00 0.00 178.44 175.98 1up4 h GLU 306 N 0.10 0.35 -7.36 1.13 4.39 -0.93 0.14 114.58 112.39 1up4 h GLU 306 Ca 0.02 -0.60 -0.47 0.00 0.34 0.00 0.00 59.36 58.66 1up4 h GLU 306 Cb 0.35 0.22 0.08 0.00 -0.10 0.00 0.00 28.75 29.30 1up4 h GLU 306 CO 0.02 1.29 0.28 0.95 -1.16 0.00 0.00 179.01 180.39 1up4 s THR 307 N -2.51 2.59 -0.69 1.13 -4.23 -0.71 -4.73 115.64 106.49 1up4 s THR 307 Ca -0.15 -0.07 0.16 0.00 -1.18 0.00 0.00 61.69 60.45 1up4 s THR 307 Cb 0.04 -3.14 0.65 0.00 1.34 0.00 0.00 72.50 71.39 1up4 s THR 307 CO 0.84 -0.16 1.56 -0.67 -0.54 0.00 0.00 174.62 175.65 1up4 n ASP 308 N -2.97 4.55 0.23 3.99 2.03 -1.26 -1.58 116.55 121.54 1up4 n ASP 308 Ca 0.07 -2.63 -0.15 0.00 0.52 0.00 0.00 54.79 52.60 1up4 n ASP 308 Cb 0.60 -0.55 -0.08 0.00 -0.72 0.00 0.00 41.12 40.37 1up4 n ASP 308 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1up4 h GLU 309 N 3.28 -0.53 -0.94 -0.67 4.81 -1.90 -3.46 114.58 115.16 1up4 h GLU 309 Ca 0.00 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1up4 h GLU 309 Cb 1.48 0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.98 1up4 h GLU 309 CO 0.26 -0.35 0.00 0.41 -0.73 0.00 0.00 179.01 178.60 1up4 n GLY 310 N -1.33 -0.76 3.16 1.92 0.00 -1.24 -5.06 105.19 101.88 1up4 n GLY 310 Ca -0.11 -0.72 -0.11 0.00 0.00 0.00 0.00 46.02 45.09 1up4 n GLY 310 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1up4 s LYS 311 N -0.56 0.81 -0.17 1.61 1.02 -0.40 -4.90 119.74 117.16 1up4 s LYS 311 Ca 0.00 -1.29 -0.17 0.00 0.02 0.00 0.00 55.97 54.53 1up4 s LYS 311 Cb 0.00 -0.21 -0.04 0.00 -0.52 0.00 0.00 37.83 37.06 1up4 s LYS 311 CO 0.00 -0.01 0.44 0.42 -0.92 0.00 0.00 175.35 175.28 1up4 s ILE 312 N -3.46 5.18 -0.03 2.17 -1.09 -1.26 0.07 121.20 122.79 1up4 s ILE 312 Ca 0.10 0.83 0.02 0.00 -2.23 0.00 0.00 60.65 59.38 1up4 s ILE 312 Cb 0.04 -3.78 0.01 0.00 -1.58 0.00 0.00 42.46 37.15 1up4 s ILE 312 CO -0.04 0.27 -0.08 -1.00 -1.23 0.00 0.00 174.94 172.85 1up4 s HIS 313 N 1.08 0.90 -0.22 3.97 3.76 -0.50 -4.92 115.29 119.37 1up4 s HIS 313 Ca 0.22 -0.23 -0.24 0.00 -0.15 0.00 0.00 55.06 54.66 1up4 s HIS 313 Cb -0.15 -0.66 -0.01 0.00 1.11 0.00 0.00 32.58 32.87 1up4 s HIS 313 CO 0.09 -0.11 0.81 0.42 -0.85 0.00 0.00 174.74 175.10 1up4 s ILE 314 N 0.28 4.87 0.07 0.60 1.01 -1.26 -0.30 121.20 126.46 1up4 s ILE 314 Ca -0.04 1.55 -0.09 0.00 0.00 0.00 0.00 60.65 62.07 1up4 s ILE 314 Cb -0.09 -4.11 0.00 0.00 0.01 0.00 0.00 42.46 38.27 1up4 s ILE 314 CO 0.00 -0.03 0.19 -0.69 0.00 0.00 0.00 174.94 174.42 1up4 s VAL 315 N 2.57 0.13 -0.31 2.92 1.01 -0.66 -4.85 120.40 121.21 1up4 s VAL 315 Ca 0.35 -1.06 -0.17 0.00 0.00 0.00 0.00 61.98 61.09 1up4 s VAL 315 Cb -0.16 -1.18 -0.02 0.00 0.00 0.00 0.00 36.38 35.03 1up4 s VAL 315 CO 0.09 -0.59 0.48 0.20 0.00 0.00 0.00 175.10 175.28 1up4 s ASN 316 N -2.56 6.33 0.26 3.32 0.01 0.38 -1.29 114.94 121.40 1up4 s ASN 316 Ca 0.01 0.18 -0.21 0.00 -0.71 0.00 0.00 52.86 52.13 1up4 s ASN 316 Cb 0.03 -2.26 0.05 0.00 0.41 0.00 0.00 41.25 39.48 1up4 s ASN 316 CO -0.08 -0.36 0.84 0.28 -1.51 0.00 0.00 177.10 176.27 1up4 s THR 317 N 2.29 0.00 0.27 1.60 -1.32 -0.29 -2.65 115.64 115.55 1up4 s THR 317 Ca 0.18 -0.86 -0.30 0.00 -1.21 0.00 0.00 61.69 59.50 1up4 s THR 317 Cb -0.16 -2.34 -0.12 0.00 -1.51 0.00 0.00 72.50 68.37 1up4 s THR 317 CO 0.11 0.00 1.64 0.54 -2.21 0.00 0.00 174.62 174.70 1up4 n ARG 318 N -0.51 2.76 -0.36 7.08 1.74 -1.26 0.19 116.66 126.29 1up4 n ARG 318 Ca -0.05 0.98 -0.10 0.00 -0.77 0.00 0.00 57.85 57.91 1up4 n ARG 318 Cb 0.60 -2.79 -0.09 0.00 -1.02 0.00 0.00 32.46 29.16 1up4 n ARG 318 CO 0.00 0.00 0.00 -0.97 -1.52 0.00 0.00 177.63 175.14 1up4 h ASN 319 N 5.34 -1.89 -6.61 0.55 -1.24 -0.53 -3.45 115.58 107.75 1up4 h ASN 319 Ca -0.46 0.29 -0.52 0.00 0.71 0.00 0.00 56.30 56.31 1up4 h ASN 319 Cb 1.22 0.84 -0.12 0.00 0.73 0.00 0.00 38.32 40.98 1up4 h ASN 319 CO 0.84 -0.20 -0.87 0.59 -1.29 0.00 0.00 177.43 176.50 1up4 n ASN 320 N -4.96 -1.52 0.00 1.15 5.03 -0.49 -1.59 115.26 112.88 1up4 n ASN 320 Ca 0.02 -1.01 0.00 0.00 0.87 0.00 0.00 54.58 54.45 1up4 n ASN 320 Cb 0.23 -2.90 0.00 0.00 -1.02 0.00 0.00 39.78 36.08 1up4 n ASN 320 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1up4 n GLY 321 N -1.79 1.20 0.28 7.41 0.00 -1.26 -4.91 105.19 106.12 1up4 n GLY 321 Ca -0.16 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.78 1up4 n GLY 321 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1up4 h SER 322 N 0.00 -0.80 -3.65 1.61 0.87 -1.46 -3.36 113.55 106.76 1up4 h SER 322 Ca 0.00 0.14 -0.68 0.00 -1.23 0.00 0.00 61.79 60.02 1up4 h SER 322 Cb 0.00 0.38 -0.30 0.00 -0.44 0.00 0.00 62.40 62.04 1up4 h SER 322 CO 0.00 -0.28 -0.67 -0.63 -0.53 0.00 0.00 176.83 174.72 1up4 s ILE 323 N -6.07 3.38 -0.51 2.23 -1.09 -1.26 -0.99 121.20 116.89 1up4 s ILE 323 Ca -0.15 -1.08 0.22 0.00 -2.23 0.00 0.00 60.65 57.41 1up4 s ILE 323 Cb 0.12 -2.84 0.23 0.00 -1.58 0.00 0.00 42.46 38.39 1up4 s ILE 323 CO 0.68 -0.01 1.68 -1.84 -1.23 0.00 0.00 174.94 174.21 1up4 n GLU 324 N 4.74 0.17 0.00 2.79 0.28 -0.46 -1.95 120.64 126.20 1up4 n GLU 324 Ca -0.14 0.42 0.12 0.00 -0.16 0.00 0.00 57.16 57.40 1up4 n GLU 324 Cb 0.45 -1.84 0.58 0.00 1.43 0.00 0.00 31.44 32.06 1up4 n GLU 324 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1up4 n ASN 325 N -2.17 0.00 -4.12 -1.84 3.02 -1.26 -4.88 115.26 104.01 1up4 n ASN 325 Ca 0.02 0.22 -0.16 0.00 -0.03 0.00 0.00 54.58 54.63 1up4 n ASN 325 Cb 0.21 -0.40 -0.12 0.00 -0.61 0.00 0.00 39.78 38.86 1up4 n ASN 325 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1up4 s LEU 326 N -2.79 2.26 0.50 3.41 1.02 -0.82 -4.96 118.68 117.29 1up4 s LEU 326 Ca 0.18 -0.57 -0.22 0.00 0.02 0.00 0.00 54.13 53.54 1up4 s LEU 326 Cb 0.17 -0.36 -0.08 0.00 0.02 0.00 0.00 46.19 45.94 1up4 s LEU 326 CO 0.42 -0.13 0.98 -2.65 0.02 0.00 0.00 176.35 174.99 1up4 n PRO 327 N 1.42 1.16 0.27 1.29 -0.02 -1.26 -4.84 135.00 133.02 1up4 n PRO 327 Ca -0.22 0.43 0.11 0.00 -2.02 0.00 0.00 63.50 61.80 1up4 n PRO 327 Cb 0.54 -2.10 0.73 0.00 -0.02 0.00 0.00 33.50 32.66 1up4 n PRO 327 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1up4 h ASP 328 N 1.07 0.00 0.14 2.55 3.32 -1.96 -3.04 116.42 118.50 1up4 h ASP 328 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1up4 h ASP 328 Cb 1.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.90 1up4 h ASP 328 CO 0.54 0.04 -0.38 -0.90 -1.72 0.00 0.00 179.24 176.82 1up4 n ASP 329 N -4.15 1.39 -4.70 6.45 5.75 -1.26 -1.39 116.55 118.63 1up4 n ASP 329 Ca -0.03 -1.11 -0.43 0.00 -0.01 0.00 0.00 54.79 53.21 1up4 n ASP 329 Cb 0.13 0.31 -0.03 0.00 -1.03 0.00 0.00 41.12 40.49 1up4 n ASP 329 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 1up4 n TYR 330 N -0.47 2.60 -2.47 2.11 4.02 -1.15 -4.73 117.16 117.07 1up4 n TYR 330 Ca 0.10 0.04 -0.42 0.00 -0.01 0.00 0.00 57.90 57.61 1up4 n TYR 330 Cb 0.39 -2.66 -0.03 0.00 -0.02 0.00 0.00 39.34 37.03 1up4 n TYR 330 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1up4 s VAL 331 N 1.59 4.29 0.30 -0.72 1.01 -1.26 -0.31 120.40 125.29 1up4 s VAL 331 Ca 0.78 1.61 0.07 0.00 0.00 0.00 0.00 61.98 64.44 1up4 s VAL 331 Cb -0.55 -4.04 -0.06 0.00 0.00 0.00 0.00 36.38 31.74 1up4 s VAL 331 CO 0.35 -0.01 -0.05 -0.76 0.00 0.00 0.00 175.10 174.64 1up4 s LEU 332 N 2.28 2.49 -0.42 3.92 1.43 0.13 -4.84 118.68 123.67 1up4 s LEU 332 Ca 0.55 -1.22 -0.16 0.00 -1.03 0.00 0.00 54.13 52.28 1up4 s LEU 332 Cb -0.24 -0.65 0.02 0.00 0.03 0.00 0.00 46.19 45.35 1up4 s LEU 332 CO 0.21 -0.36 0.35 -0.70 0.23 0.00 0.00 176.35 176.07 1up4 s GLU 333 N -3.74 3.01 0.03 1.70 2.12 0.12 -1.14 118.70 120.80 1up4 s GLU 333 Ca 0.31 -0.96 -0.11 0.00 0.36 0.00 0.00 54.97 54.56 1up4 s GLU 333 Cb 0.04 -3.99 0.01 0.00 0.26 0.00 0.00 34.13 30.46 1up4 s GLU 333 CO 0.13 -0.80 0.24 0.96 -0.54 0.00 0.00 175.26 175.24 1up4 s ILE 334 N 1.82 0.09 0.17 -3.70 -4.36 -0.41 -3.36 121.20 111.45 1up4 s ILE 334 Ca 0.07 -0.75 -0.31 0.00 -0.26 0.00 0.00 60.65 59.41 1up4 s ILE 334 Cb -0.19 -0.83 -0.09 0.00 1.25 0.00 0.00 42.46 42.61 1up4 s ILE 334 CO 0.11 -0.41 1.36 -2.16 0.24 0.00 0.00 174.94 174.07 1up4 s PRO 335 N -2.26 4.35 0.18 0.37 0.04 -1.26 -1.65 135.00 134.77 1up4 s PRO 335 Ca -0.07 2.09 0.07 0.00 0.04 0.00 0.00 61.00 63.12 1up4 s PRO 335 Cb -0.02 -3.21 -0.04 0.00 0.04 0.00 0.00 34.50 31.26 1up4 s PRO 335 CO -0.02 -0.35 -0.14 0.00 0.04 0.00 0.00 177.00 176.53 1up4 s TYR 337 N -2.81 3.26 -0.14 0.00 5.04 0.26 -1.40 117.35 121.56 1up4 s TYR 337 Ca 0.19 0.62 0.01 0.00 -2.44 0.00 0.00 57.07 55.45 1up4 s TYR 337 Cb -0.01 -2.77 -0.00 0.00 0.35 0.00 0.00 41.96 39.52 1up4 s TYR 337 CO 0.05 -0.32 -0.18 0.08 -1.34 0.00 0.00 175.55 173.84 1up4 s VAL 338 N 2.37 2.45 -0.29 3.14 1.01 0.11 -0.06 120.40 129.13 1up4 s VAL 338 Ca 0.22 -0.85 -0.16 0.00 0.00 0.00 0.00 61.98 61.19 1up4 s VAL 338 Cb -0.16 -2.01 0.14 0.00 0.00 0.00 0.00 36.38 34.36 1up4 s VAL 338 CO 0.10 0.53 0.93 -0.60 0.00 0.00 0.00 175.10 176.06 1up4 s ARG 339 N 0.68 0.42 -1.34 2.72 3.52 -0.72 -1.28 118.95 122.95 1up4 s ARG 339 Ca -0.09 0.75 -0.13 0.00 -0.13 0.00 0.00 55.73 56.13 1up4 s ARG 339 Cb -0.16 0.12 0.01 0.00 -1.56 0.00 0.00 34.95 33.36 1up4 s ARG 339 CO 0.02 -0.09 0.45 0.43 -0.81 0.00 0.00 175.30 175.30 1up4 n SER 340 N 3.90 -1.94 0.00 -2.12 7.64 -0.62 -1.39 113.62 119.09 1up4 n SER 340 Ca -0.18 -1.16 0.00 0.00 1.01 0.00 0.00 58.87 58.54 1up4 n SER 340 Cb 0.57 -2.38 0.00 0.00 -1.01 0.00 0.00 64.21 61.40 1up4 n SER 340 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1up4 n GLY 341 N -2.11 1.63 3.47 0.23 0.00 0.50 -5.00 105.19 103.91 1up4 n GLY 341 Ca -0.22 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.53 1up4 n GLY 341 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1up4 s ARG 342 N -0.17 1.68 -0.25 1.61 1.70 -0.48 -5.08 118.95 117.95 1up4 s ARG 342 Ca 0.00 -1.50 0.02 0.00 -0.47 0.00 0.00 55.73 53.78 1up4 s ARG 342 Cb 0.00 -1.91 0.06 0.00 -0.57 0.00 0.00 34.95 32.53 1up4 s ARG 342 CO 0.00 0.40 -0.07 0.08 -1.08 0.00 0.00 175.30 174.62 1up4 s VAL 343 N -1.80 1.87 -0.17 4.99 1.01 -1.26 -1.76 120.40 123.29 1up4 s VAL 343 Ca 0.23 -1.49 -0.07 0.00 0.00 0.00 0.00 61.98 60.66 1up4 s VAL 343 Cb -0.08 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.19 1up4 s VAL 343 CO 0.12 -0.10 0.07 -1.00 0.00 0.00 0.00 175.10 174.19 1up4 s HIS 344 N 1.23 3.28 0.42 5.22 3.76 0.92 -4.92 115.29 125.19 1up4 s HIS 344 Ca -0.06 0.14 -0.24 0.00 -0.15 0.00 0.00 55.06 54.74 1up4 s HIS 344 Cb -0.19 -2.04 -0.08 0.00 1.11 0.00 0.00 32.58 31.37 1up4 s HIS 344 CO -0.06 0.24 1.15 0.99 -0.85 0.00 0.00 174.74 176.21 1up4 s THR 345 N 0.13 3.23 -0.05 1.30 2.01 -1.26 0.92 115.64 121.92 1up4 s THR 345 Ca 0.05 0.98 0.00 0.00 0.31 0.00 0.00 61.69 63.04 1up4 s THR 345 Cb -0.12 -3.53 -0.03 0.00 0.01 0.00 0.00 72.50 68.83 1up4 s THR 345 CO 0.00 0.04 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.20 1up4 s LEU 346 N -2.69 3.47 0.16 4.42 2.01 -1.25 -4.83 118.68 119.97 1up4 s LEU 346 Ca 0.59 0.04 -0.34 0.00 0.01 0.00 0.00 54.13 54.44 1up4 s LEU 346 Cb -0.28 -1.88 -0.15 0.00 0.01 0.00 0.00 46.19 43.89 1up4 s LEU 346 CO 0.35 0.33 1.36 -0.24 1.01 0.00 0.00 176.35 179.17 1up4 n SER 347 N 1.83 2.14 0.00 2.29 2.88 -1.26 -4.16 113.62 117.34 1up4 n SER 347 Ca -0.17 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 58.50 1up4 n SER 347 Cb 0.53 -1.30 0.00 0.00 -0.75 0.00 0.00 64.21 62.69 1up4 n SER 347 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1up4 n GLN 348 N 2.41 3.42 0.00 -1.46 6.02 -0.16 -5.02 117.38 122.59 1up4 n GLN 348 Ca 0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.15 1up4 n GLN 348 Cb 0.26 -0.49 0.00 0.00 1.02 0.00 0.00 30.24 31.03 1up4 n GLN 348 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1up4 n GLY 349 N 0.91 0.43 3.86 1.08 0.00 -1.22 -4.95 105.19 105.30 1up4 n GLY 349 Ca 0.00 -1.48 -0.35 0.00 0.00 0.00 0.00 46.02 44.19 1up4 n GLY 349 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1up4 s LYS 350 N 0.00 3.85 0.30 1.61 1.02 -1.26 -1.36 119.74 123.89 1up4 s LYS 350 Ca 0.00 0.30 -0.15 0.00 0.02 0.00 0.00 55.97 56.14 1up4 s LYS 350 Cb 0.00 -2.98 -0.09 0.00 -0.52 0.00 0.00 37.83 34.25 1up4 s LYS 350 CO 0.00 0.53 0.71 0.20 -0.92 0.00 0.00 175.35 175.87 1up4 s GLY 351 N -1.73 2.37 0.32 -3.33 0.00 -1.26 -4.97 107.32 98.72 1up4 s GLY 351 Ca 0.35 0.02 -0.29 0.00 0.00 0.00 0.00 44.72 44.80 1up4 s GLY 351 CO 0.18 0.24 1.41 -0.35 0.00 0.00 0.00 173.10 174.58 1up4 s ASP 352 N -2.19 6.61 0.40 1.64 -1.08 -1.26 -4.89 116.67 115.90 1up4 s ASP 352 Ca 0.52 2.79 0.12 0.00 -0.52 0.00 0.00 52.55 55.45 1up4 s ASP 352 Cb -0.11 -2.65 0.93 0.00 -1.46 0.00 0.00 42.92 39.63 1up4 s ASP 352 CO 0.18 -0.69 1.93 0.45 0.52 0.00 0.00 175.17 177.57 1up4 h HIS 353 N 3.86 0.60 0.01 -5.34 3.86 -1.98 -0.81 115.15 115.34 1up4 h HIS 353 Ca -0.48 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 58.74 1up4 h HIS 353 Cb 1.23 -0.19 0.00 0.00 1.06 0.00 0.00 27.41 29.50 1up4 h HIS 353 CO 0.57 0.26 -0.00 0.35 0.86 0.00 0.00 177.93 179.97 1up4 h PHE 354 N 0.55 -0.01 -0.53 2.45 3.57 -1.98 -1.55 116.94 119.44 1up4 h PHE 354 Ca 0.35 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.77 1up4 h PHE 354 Cb 0.60 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.33 1up4 h PHE 354 CO -0.00 0.01 0.03 0.00 -2.23 0.00 0.00 178.31 176.11 1up4 h ALA 355 N 0.97 0.71 -0.39 2.41 0.00 -1.73 -2.87 119.26 118.36 1up4 h ALA 355 Ca -0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1up4 h ALA 355 Cb 0.02 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1up4 h ALA 355 CO 0.00 0.50 0.16 -0.07 0.00 0.00 0.00 179.25 179.84 1up4 h LEU 356 N 0.79 0.49 -0.70 0.00 4.07 -1.00 -0.40 115.31 118.57 1up4 h LEU 356 Ca 0.15 -0.05 0.03 0.00 0.08 0.00 0.00 57.88 58.10 1up4 h LEU 356 Cb 0.49 -0.13 -0.04 0.00 1.08 0.00 0.00 40.66 42.06 1up4 h LEU 356 CO 0.02 0.45 0.44 0.77 -1.08 0.00 0.00 178.44 179.04 1up4 h SER 357 N 0.55 0.72 -0.02 -0.43 4.64 -1.05 0.15 113.55 118.11 1up4 h SER 357 Ca 0.14 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.44 1up4 h SER 357 Cb 0.11 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 1up4 h SER 357 CO -0.01 0.50 -0.04 -0.26 -0.87 0.00 0.00 176.83 176.14 1up4 h PHE 358 N 0.86 0.07 -0.29 4.77 0.04 -1.45 -2.77 116.94 118.17 1up4 h PHE 358 Ca 0.28 -0.03 0.07 0.00 2.80 0.00 0.00 57.97 61.09 1up4 h PHE 358 Cb 0.01 -0.01 -0.08 0.00 2.20 0.00 0.00 35.95 38.08 1up4 h PHE 358 CO -0.04 0.64 -0.26 0.82 -0.60 0.00 0.00 178.31 178.87 1up4 h ILE 359 N -0.51 0.35 -0.05 -0.55 2.04 -0.77 -1.64 117.51 116.38 1up4 h ILE 359 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1up4 h ILE 359 Cb 0.64 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 1up4 h ILE 359 CO 0.01 0.00 0.02 0.45 0.00 0.00 0.00 178.15 178.62 1up4 h HIS 360 N -0.24 0.03 -0.22 1.37 3.86 -0.82 -1.09 115.15 118.03 1up4 h HIS 360 Ca 0.15 0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.42 1up4 h HIS 360 Cb 0.48 -0.01 -0.06 0.00 1.06 0.00 0.00 27.41 28.89 1up4 h HIS 360 CO -0.43 0.02 -0.13 0.00 0.86 0.00 0.00 177.93 178.24 1up4 h ALA 361 N 1.03 0.04 -0.00 2.45 0.00 -1.16 -2.87 119.26 118.74 1up4 h ALA 361 Ca 0.02 0.08 -0.17 0.00 0.00 0.00 0.00 54.91 54.85 1up4 h ALA 361 Cb 0.01 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1up4 h ALA 361 CO -0.02 -0.55 -0.79 0.28 0.00 0.00 0.00 179.25 178.17 1up4 h VAL 362 N -0.12 1.53 0.00 0.00 2.07 -1.28 -2.38 116.25 116.07 1up4 h VAL 362 Ca 0.12 -2.59 0.00 0.00 0.82 0.00 0.00 66.70 65.05 1up4 h VAL 362 Cb 0.31 2.41 0.00 0.00 -1.52 0.00 0.00 31.29 32.48 1up4 h VAL 362 CO -0.29 0.75 0.00 1.17 0.02 0.00 0.00 177.57 179.21 1up4 n LYS 363 N -3.65 0.14 0.00 1.57 3.00 -0.42 0.24 118.16 119.05 1up4 n LYS 363 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.29 1up4 n LYS 363 Cb 0.75 -1.24 0.00 0.00 0.00 0.00 0.00 35.03 34.54 1up4 n LYS 363 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.40 178.38 1up4 n TYR 365 N 0.67 0.00 -0.11 5.64 9.36 -0.90 -1.72 117.16 130.10 1up4 n TYR 365 Ca 0.00 0.00 -0.09 0.00 3.32 0.00 0.00 57.90 61.13 1up4 n TYR 365 Cb 0.05 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 38.75 1up4 n TYR 365 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 1up4 h GLU 366 N 0.00 0.49 -0.06 2.98 5.08 -0.49 -1.39 114.58 121.19 1up4 h GLU 366 Ca 0.00 -0.08 -0.16 0.00 -1.00 0.00 0.00 59.36 58.12 1up4 h GLU 366 Cb 0.00 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 1up4 h GLU 366 CO 0.00 0.47 -0.68 0.00 -1.00 0.00 0.00 179.01 177.80 1up4 h ARG 367 N 0.40 0.26 -0.89 2.33 2.47 -1.59 -1.88 114.38 115.47 1up4 h ARG 367 Ca 0.11 -0.20 0.00 0.00 -1.26 0.00 0.00 59.98 58.63 1up4 h ARG 367 Cb 0.15 0.04 -0.04 0.00 -1.65 0.00 0.00 29.97 28.46 1up4 h ARG 367 CO -0.01 0.84 0.56 -0.07 0.56 0.00 0.00 179.97 181.85 1up4 h LEU 368 N 0.18 1.05 -0.44 3.04 3.38 -1.77 -0.69 115.31 120.06 1up4 h LEU 368 Ca -0.02 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 1up4 h LEU 368 Cb 1.22 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 1up4 h LEU 368 CO 0.11 0.79 -0.03 0.74 0.09 0.00 0.00 178.44 180.14 1up4 h THR 369 N 1.22 1.27 -0.09 0.22 2.02 -0.89 -1.59 112.91 115.06 1up4 h THR 369 Ca 0.32 -1.09 0.00 0.00 0.77 0.00 0.00 66.41 66.41 1up4 h THR 369 Cb -0.08 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 1up4 h THR 369 CO -0.06 0.37 0.05 0.40 0.37 0.00 0.00 175.52 176.65 1up4 h ILE 370 N 0.64 1.01 -0.51 3.11 2.04 -1.16 -1.59 117.51 121.04 1up4 h ILE 370 Ca 0.12 -0.04 0.08 0.00 1.00 0.00 0.00 64.86 66.03 1up4 h ILE 370 Cb 0.54 0.89 -0.07 0.00 -0.74 0.00 0.00 36.82 37.44 1up4 h ILE 370 CO 0.03 0.02 0.12 -0.33 0.00 0.00 0.00 178.15 177.99 1up4 h GLU 371 N 0.11 0.26 -0.49 2.37 5.08 -0.97 0.19 114.58 121.13 1up4 h GLU 371 Ca 0.04 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.42 1up4 h GLU 371 Cb -0.00 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.15 1up4 h GLU 371 CO -0.02 0.17 0.25 0.00 -1.00 0.00 0.00 179.01 178.41 1up4 h ALA 372 N 1.38 0.62 -0.15 3.43 0.00 -1.10 -2.06 119.26 121.39 1up4 h ALA 372 Ca 0.25 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 1up4 h ALA 372 Cb 0.33 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1up4 h ALA 372 CO -0.31 -0.10 0.03 -0.92 0.00 0.00 0.00 179.25 177.95 1up4 h TYR 373 N 0.49 0.27 -0.14 0.00 3.20 -0.18 0.63 116.97 121.23 1up4 h TYR 373 Ca 0.22 -0.04 -0.02 0.00 3.14 0.00 0.00 58.73 62.03 1up4 h TYR 373 Cb 0.12 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.31 1up4 h TYR 373 CO -0.10 0.41 -0.01 -0.07 -1.64 0.00 0.00 178.16 176.75 1up4 h LEU 374 N 0.04 0.18 -0.68 2.82 3.38 -0.52 -0.61 115.31 119.92 1up4 h LEU 374 Ca 0.05 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1up4 h LEU 374 Cb 0.29 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1up4 h LEU 374 CO 0.00 0.23 -0.31 0.29 0.09 0.00 0.00 178.44 178.74 1up4 n LYS 375 N -4.41 1.00 -3.85 1.13 4.01 -0.79 -4.97 118.16 110.29 1up4 n LYS 375 Ca -0.01 -0.68 -0.28 0.00 -0.51 0.00 0.00 58.31 56.83 1up4 n LYS 375 Cb 0.16 -1.49 0.03 0.00 -0.51 0.00 0.00 35.03 33.23 1up4 n LYS 375 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1up4 n ARG 376 N -0.40 -5.41 -4.08 1.97 5.12 0.05 -4.91 116.66 109.00 1up4 n ARG 376 Ca 0.12 0.61 -0.35 0.00 -1.93 0.00 0.00 57.85 56.30 1up4 n ARG 376 Cb 0.39 -5.40 -0.14 0.00 -1.16 0.00 0.00 32.46 26.15 1up4 n ARG 376 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1up4 s SER 377 N -3.60 4.29 0.13 0.55 0.15 -0.27 -0.33 113.70 114.62 1up4 s SER 377 Ca 0.48 -0.36 -0.18 0.00 0.70 0.00 0.00 55.95 56.59 1up4 s SER 377 Cb -0.24 -1.72 -0.04 0.00 -1.71 0.00 0.00 66.02 62.31 1up4 s SER 377 CO 0.82 0.03 1.74 0.50 1.20 0.00 0.00 173.24 177.53 1up4 h LYS 378 N 7.76 0.41 -0.16 5.44 3.64 -1.84 -1.71 116.57 130.12 1up4 h LYS 378 Ca -0.38 -0.04 0.04 0.00 -1.27 0.00 0.00 60.65 58.99 1up4 h LYS 378 Cb 1.17 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.87 1up4 h LYS 378 CO 0.60 0.34 -0.07 0.87 -2.27 0.00 0.00 179.45 178.91 1up4 h LYS 379 N 0.37 -0.05 0.00 1.90 1.57 -1.94 -1.72 116.57 116.70 1up4 h LYS 379 Ca 0.11 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.82 1up4 h LYS 379 Cb 0.04 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1up4 h LYS 379 CO -0.02 -0.04 -0.32 -0.07 -0.57 0.00 0.00 179.45 178.43 1up4 h LEU 380 N -0.06 0.00 -0.68 2.94 3.38 -1.92 -2.61 115.31 116.36 1up4 h LEU 380 Ca 0.09 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 1up4 h LEU 380 Cb 0.19 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1up4 h LEU 380 CO -0.20 0.32 0.24 0.00 0.09 0.00 0.00 178.44 178.89 1up4 h ALA 381 N 1.68 0.89 -0.64 1.53 0.00 -0.58 -0.56 119.26 121.57 1up4 h ALA 381 Ca -0.00 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.74 1up4 h ALA 381 Cb 0.65 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 1up4 h ALA 381 CO 0.04 0.54 0.38 -0.07 0.00 0.00 0.00 179.25 180.14 1up4 h LEU 382 N 0.98 0.60 -0.56 0.00 4.07 -1.14 0.27 115.31 119.53 1up4 h LEU 382 Ca 0.22 0.01 -0.01 0.00 0.08 0.00 0.00 57.88 58.19 1up4 h LEU 382 Cb 0.26 -0.11 -0.03 0.00 1.08 0.00 0.00 40.66 41.87 1up4 h LEU 382 CO -0.01 0.40 0.31 0.50 -1.08 0.00 0.00 178.44 178.57 1up4 h LYS 383 N 0.73 0.77 0.11 1.13 3.64 -1.08 -0.37 116.57 121.50 1up4 h LYS 383 Ca 0.27 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.56 1up4 h LYS 383 Cb 0.08 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 1up4 h LYS 383 CO -0.13 0.58 -0.05 0.00 -2.27 0.00 0.00 179.45 177.58 1up4 h ALA 384 N 1.14 -0.15 -0.59 5.00 0.00 -0.49 -2.40 119.26 121.77 1up4 h ALA 384 Ca 0.20 -0.08 0.12 0.00 0.00 0.00 0.00 54.91 55.15 1up4 h ALA 384 Cb 0.03 0.06 -0.10 0.00 0.00 0.00 0.00 17.79 17.78 1up4 h ALA 384 CO -0.03 -0.53 0.03 1.25 0.00 0.00 0.00 179.25 179.97 1up4 h LEU 385 N -0.25 -0.20 -1.97 0.00 5.85 -0.31 -1.68 115.31 116.76 1up4 h LEU 385 Ca -0.02 0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 1up4 h LEU 385 Cb 0.20 0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.46 1up4 h LEU 385 CO 0.02 -0.08 -0.07 -0.07 -0.34 0.00 0.00 178.44 177.90 1up4 h LEU 386 N 0.15 0.00 0.00 2.25 3.38 -0.90 -3.06 115.31 117.13 1up4 h LEU 386 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1up4 h LEU 386 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1up4 h LEU 386 CO -0.48 0.07 -0.33 -1.54 0.09 0.00 0.00 178.44 176.26 1up4 n SER 387 N -3.38 0.73 -4.72 -0.43 3.41 -0.64 -4.84 113.62 103.76 1up4 n SER 387 Ca -0.01 0.32 -0.42 0.00 -0.26 0.00 0.00 58.87 58.51 1up4 n SER 387 Cb 0.23 -0.28 -0.03 0.00 -0.26 0.00 0.00 64.21 63.87 1up4 n SER 387 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1up4 s HIS 388 N -3.13 3.50 0.59 7.33 5.65 -1.16 -4.75 115.29 123.32 1up4 s HIS 388 Ca 0.08 1.44 0.29 0.00 0.25 0.00 0.00 55.06 57.12 1up4 s HIS 388 Cb 0.13 -3.36 1.51 0.00 -1.18 0.00 0.00 32.58 29.68 1up4 s HIS 388 CO 0.66 -0.97 1.93 -1.35 -0.65 0.00 0.00 174.74 174.36 1up4 h PRO 389 N 6.00 0.00 -0.43 2.88 0.11 -1.89 0.12 132.00 138.77 1up4 h PRO 389 Ca -0.43 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.58 1up4 h PRO 389 Cb 1.21 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.26 1up4 h PRO 389 CO 0.77 0.00 0.07 1.28 -0.21 0.00 0.00 178.00 179.90 1up4 n LEU 390 N -3.73 4.68 0.00 2.35 4.77 -1.26 -5.03 117.00 118.78 1up4 n LEU 390 Ca 0.07 -3.23 -0.16 0.00 -0.03 0.00 0.00 56.01 52.66 1up4 n LEU 390 Cb 0.60 -0.63 0.09 0.00 -2.33 0.00 0.00 43.42 41.16 1up4 n LEU 390 CO 0.27 0.83 0.42 0.61 -1.33 0.00 0.00 177.39 178.20 1up4 n GLY 391 N -0.49 -0.21 3.80 -0.72 0.00 0.40 -4.53 105.19 103.45 1up4 n GLY 391 Ca 0.30 -1.87 -0.33 0.00 0.00 0.00 0.00 46.02 44.13 1up4 n GLY 391 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1up4 s PRO 392 N -4.35 3.35 0.76 1.61 0.04 -1.26 -5.01 135.00 130.14 1up4 s PRO 392 Ca 0.42 1.20 -0.11 0.00 0.04 0.00 0.00 61.00 62.55 1up4 s PRO 392 Cb -0.02 -2.04 0.05 0.00 0.04 0.00 0.00 34.50 32.53 1up4 s PRO 392 CO 0.29 -0.78 1.09 -0.51 0.04 0.00 0.00 177.00 177.13 1up4 s ASP 393 N -2.78 4.62 0.31 6.66 1.11 -1.26 -4.70 116.67 120.63 1up4 s ASP 393 Ca 0.63 1.82 0.08 0.00 0.18 0.00 0.00 52.55 55.27 1up4 s ASP 393 Cb -0.16 -2.52 0.85 0.00 1.07 0.00 0.00 42.92 42.16 1up4 s ASP 393 CO 0.36 -1.96 1.70 0.58 1.18 0.00 0.00 175.17 177.04 1up4 h VAL 394 N -1.00 0.46 0.00 -1.27 2.07 -1.98 -0.82 116.25 113.71 1up4 h VAL 394 Ca -0.44 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 66.93 1up4 h VAL 394 Cb 1.23 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1up4 h VAL 394 CO 0.52 0.08 0.00 1.05 0.02 0.00 0.00 177.57 179.24 1up4 h GLU 395 N 0.45 0.00 0.00 1.57 4.11 -2.05 -3.13 114.58 115.53 1up4 h GLU 395 Ca 0.62 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.05 1up4 h GLU 395 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1up4 h GLU 395 CO -0.53 0.00 -1.10 -0.25 0.07 0.00 0.00 179.01 177.20 1up4 n ASP 396 N -2.91 1.89 0.01 3.06 8.00 -0.39 -4.80 116.55 121.41 1up4 n ASP 396 Ca -0.01 -0.26 -0.10 0.00 0.71 0.00 0.00 54.79 55.13 1up4 n ASP 396 Cb 0.18 1.30 -0.05 0.00 -0.02 0.00 0.00 41.12 42.53 1up4 n ASP 396 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1up4 h ALA 397 N 1.09 0.04 -0.04 2.24 0.00 -1.30 -0.86 119.26 120.43 1up4 h ALA 397 Ca 0.00 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1up4 h ALA 397 Cb 0.38 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1up4 h ALA 397 CO 0.00 -0.50 0.02 0.87 0.00 0.00 0.00 179.25 179.64 1up4 h LYS 398 N -0.03 0.06 -0.74 0.00 1.57 -1.87 -0.94 116.57 114.62 1up4 h LYS 398 Ca 0.05 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.84 1up4 h LYS 398 Cb 0.10 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.36 1up4 h LYS 398 CO -0.11 0.11 0.48 -0.44 -0.57 0.00 0.00 179.45 178.93 1up4 h ASP 399 N -0.01 0.82 -0.13 0.86 3.32 -1.87 -1.85 116.42 117.57 1up4 h ASP 399 Ca 0.02 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1up4 h ASP 399 Cb 0.07 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 1up4 h ASP 399 CO -0.00 0.59 0.07 0.25 -1.72 0.00 0.00 179.24 178.42 1up4 h LEU 400 N 0.97 0.16 -0.81 1.55 5.85 -0.88 -1.89 115.31 120.25 1up4 h LEU 400 Ca 0.28 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 1up4 h LEU 400 Cb -0.07 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 40.88 1up4 h LEU 400 CO -0.08 0.21 0.49 0.25 -0.34 0.00 0.00 178.44 178.98 1up4 h LEU 401 N 0.09 0.98 -0.96 2.25 5.85 -1.07 -1.14 115.31 121.31 1up4 h LEU 401 Ca 0.04 -0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.70 1up4 h LEU 401 Cb 0.09 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 40.83 1up4 h LEU 401 CO -0.01 0.76 0.62 -0.33 -0.34 0.00 0.00 178.44 179.14 1up4 h GLU 402 N 1.11 1.27 -0.57 1.25 5.08 -1.21 -1.08 114.58 120.44 1up4 h GLU 402 Ca 0.29 -0.09 -0.05 0.00 -1.00 0.00 0.00 59.36 58.51 1up4 h GLU 402 Cb -0.04 -0.28 -0.02 0.00 0.50 0.00 0.00 28.75 28.90 1up4 h GLU 402 CO -0.05 0.85 0.15 0.93 -1.00 0.00 0.00 179.01 179.89 1up4 h GLU 403 N 1.30 0.91 0.10 2.33 5.08 -0.72 -1.79 114.58 121.79 1up4 h GLU 403 Ca 0.35 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1up4 h GLU 403 Cb -0.13 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 28.99 1up4 h GLU 403 CO -0.07 0.84 -0.07 0.82 -1.00 0.00 0.00 179.01 179.52 1up4 h ILE 404 N 0.81 0.84 -0.23 3.13 2.04 -0.79 -1.91 117.51 121.40 1up4 h ILE 404 Ca 0.18 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.92 1up4 h ILE 404 Cb 0.33 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 1up4 h ILE 404 CO -0.00 0.00 -0.37 -0.07 0.00 0.00 0.00 178.15 177.71 1up4 h LEU 405 N -0.17 0.53 -0.54 1.44 3.38 -1.17 -0.52 115.31 118.25 1up4 h LEU 405 Ca -0.00 -0.22 -0.10 0.00 0.09 0.00 0.00 57.88 57.65 1up4 h LEU 405 Cb 0.16 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1up4 h LEU 405 CO -0.00 0.86 -0.04 -0.08 0.09 0.00 0.00 178.44 179.26 1up4 h GLU 406 N 0.43 0.98 -0.51 1.13 4.57 -1.31 -1.99 114.58 117.88 1up4 h GLU 406 Ca 0.04 -0.34 -0.04 0.00 -1.18 0.00 0.00 59.36 57.84 1up4 h GLU 406 Cb 0.84 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.33 1up4 h GLU 406 CO 0.07 1.01 0.14 0.00 -1.18 0.00 0.00 179.01 179.05 1up4 h ALA 407 N 0.94 1.29 -0.68 2.92 0.00 -0.87 -3.00 119.26 119.87 1up4 h ALA 407 Ca 0.15 -0.18 -0.21 0.00 0.00 0.00 0.00 54.91 54.67 1up4 h ALA 407 Cb 0.59 -0.21 -0.12 0.00 0.00 0.00 0.00 17.79 18.05 1up4 h ALA 407 CO 0.04 0.50 0.23 0.09 0.00 0.00 0.00 179.25 180.12 1up4 n ASN 408 N -4.30 4.53 -0.02 0.00 3.02 -0.25 -4.71 115.26 113.54 1up4 n ASN 408 Ca 0.04 -3.27 0.13 0.00 -0.03 0.00 0.00 54.58 51.45 1up4 n ASN 408 Cb 0.21 -0.72 0.56 0.00 -0.61 0.00 0.00 39.78 39.21 1up4 n ASN 408 CO 0.00 0.00 0.00 0.08 -2.62 0.00 0.00 177.26 174.72 1up4 h ARG 409 N 2.40 0.27 0.00 3.52 0.11 -1.21 -0.37 114.38 119.09 1up4 h ARG 409 Ca 0.25 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.32 1up4 h ARG 409 Cb 2.23 -0.06 0.00 0.00 1.11 0.00 0.00 29.97 33.25 1up4 h ARG 409 CO 0.68 0.18 0.00 0.39 0.10 0.00 0.00 179.97 181.32 1up4 n GLU 410 N -4.46 0.09 -0.01 0.08 1.02 -1.26 -3.97 120.64 112.13 1up4 n GLU 410 Ca 0.08 0.10 -0.00 0.00 -0.02 0.00 0.00 57.16 57.32 1up4 n GLU 410 Cb 0.38 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.28 1up4 n GLU 410 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1up4 n TYR 411 N -1.44 0.00 -3.70 -0.32 4.01 -0.21 -5.04 117.16 110.45 1up4 n TYR 411 Ca 0.07 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.67 1up4 n TYR 411 Cb 0.24 -0.12 -0.09 0.00 -0.31 0.00 0.00 39.34 39.06 1up4 n TYR 411 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1up4 s VAL 412 N -2.13 0.00 -0.15 -0.72 0.11 -0.81 -4.84 120.40 111.86 1up4 s VAL 412 Ca -0.01 -0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.04 1up4 s VAL 412 Cb 0.01 -0.73 0.02 0.00 -1.53 0.00 0.00 36.38 34.16 1up4 s VAL 412 CO 0.13 -0.00 -0.14 -0.75 -3.33 0.00 0.00 175.10 171.02 1up4 s LYS 413 N 0.28 2.24 -0.16 1.54 2.20 -1.26 -4.42 119.74 120.16 1up4 s LYS 413 Ca -0.00 -0.56 -0.03 0.00 -0.36 0.00 0.00 55.97 55.02 1up4 s LYS 413 Cb -0.04 -2.10 -0.03 0.00 -1.51 0.00 0.00 37.83 34.16 1up4 s LYS 413 CO 0.01 -0.25 -0.05 -0.51 -0.36 0.00 0.00 175.35 174.19 1up4 s LEU 414 N 1.50 3.18 0.00 5.43 1.02 -1.26 -4.91 118.68 123.64 1up4 s LEU 414 Ca 0.05 -0.16 0.21 0.00 0.02 0.00 0.00 54.13 54.24 1up4 s LEU 414 Cb -0.13 -1.76 0.16 0.00 0.02 0.00 0.00 46.19 44.48 1up4 s LEU 414 CO -0.10 0.16 1.15 0.61 0.02 0.00 0.00 176.35 178.19