#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1up6 n ARG 2 N 0.00 0.00 -4.09 1.57 0.63 -1.26 -5.02 116.66 108.50 1up6 n ARG 2 Ca 0.00 0.00 -0.35 0.00 -0.92 0.00 0.00 57.85 56.58 1up6 n ARG 2 Cb 0.00 0.00 -0.14 0.00 0.45 0.00 0.00 32.46 32.77 1up6 n ARG 2 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1up6 s ILE 3 N -0.60 3.39 0.01 5.15 1.01 -0.78 -0.82 121.20 128.56 1up6 s ILE 3 Ca 0.00 -0.50 -0.22 0.00 0.00 0.00 0.00 60.65 59.93 1up6 s ILE 3 Cb 0.00 -2.52 -0.05 0.00 0.01 0.00 0.00 42.46 39.90 1up6 s ILE 3 CO 0.00 0.44 0.65 0.00 0.00 0.00 0.00 174.94 176.04 1up6 s ALA 4 N 1.19 3.44 -0.23 9.38 0.00 0.92 -1.64 121.76 134.83 1up6 s ALA 4 Ca 0.02 0.11 0.01 0.00 0.00 0.00 0.00 51.96 52.10 1up6 s ALA 4 Cb -0.14 -2.83 0.04 0.00 0.00 0.00 0.00 23.12 20.18 1up6 s ALA 4 CO -0.01 0.12 -0.12 0.08 0.00 0.00 0.00 175.76 175.83 1up6 s VAL 5 N -0.11 2.39 -0.30 0.00 1.01 0.35 -0.72 120.40 123.02 1up6 s VAL 5 Ca 0.34 -1.21 -0.11 0.00 0.00 0.00 0.00 61.98 60.99 1up6 s VAL 5 Cb -0.19 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.94 1up6 s VAL 5 CO 0.19 0.22 0.19 -0.63 0.00 0.00 0.00 175.10 175.08 1up6 s ILE 6 N 1.24 5.19 0.00 2.22 -1.09 -0.02 -1.24 121.20 127.50 1up6 s ILE 6 Ca -0.01 0.00 0.00 0.00 -2.23 0.00 0.00 60.65 58.41 1up6 s ILE 6 Cb -0.17 -3.54 0.00 0.00 -1.58 0.00 0.00 42.46 37.18 1up6 s ILE 6 CO -0.07 0.17 0.00 0.61 -1.23 0.00 0.00 174.94 174.42 1up6 n GLY 7 N 5.06 0.63 0.29 6.18 0.00 0.15 -1.28 105.19 116.23 1up6 n GLY 7 Ca -0.14 -0.17 0.19 0.00 0.00 0.00 0.00 46.02 45.90 1up6 n GLY 7 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1up6 h GLY 8 N 0.00 0.00 1.26 -0.02 0.00 -1.41 -2.46 103.07 100.45 1up6 h GLY 8 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1up6 h GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1up6 n GLY 9 N -0.33 -0.92 3.77 4.60 0.00 -1.26 -4.76 105.19 106.29 1up6 n GLY 9 Ca -0.01 -0.14 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 1up6 n GLY 9 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1up6 s SER 10 N -2.26 6.39 0.00 1.61 0.15 -0.93 -4.66 113.70 114.00 1up6 s SER 10 Ca 0.31 2.79 0.13 0.00 0.70 0.00 0.00 55.95 59.87 1up6 s SER 10 Cb 0.17 -2.65 0.58 0.00 -1.71 0.00 0.00 66.02 62.41 1up6 s SER 10 CO 0.32 -0.81 1.41 -1.54 1.20 0.00 0.00 173.24 173.83 1up6 n SER 11 N 0.35 0.00 0.01 5.45 3.41 -1.26 -1.27 113.62 120.31 1up6 n SER 11 Ca 0.02 0.44 0.13 0.00 -0.26 0.00 0.00 58.87 59.20 1up6 n SER 11 Cb 0.42 -0.47 0.34 0.00 -0.26 0.00 0.00 64.21 64.24 1up6 n SER 11 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1up6 n TYR 12 N -1.47 0.09 -0.27 7.33 4.01 -1.26 -4.45 117.16 121.14 1up6 n TYR 12 Ca 0.04 0.03 0.08 0.00 -0.16 0.00 0.00 57.90 57.88 1up6 n TYR 12 Cb 0.15 -0.38 0.22 0.00 -0.31 0.00 0.00 39.34 39.01 1up6 n TYR 12 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 1up6 h THR 13 N 0.00 0.50 -0.78 -0.72 2.02 -1.48 -2.20 112.91 110.25 1up6 h THR 13 Ca 0.00 -0.11 0.08 0.00 0.77 0.00 0.00 66.41 67.15 1up6 h THR 13 Cb 0.53 0.16 -0.06 0.00 -1.74 0.00 0.00 68.15 67.04 1up6 h THR 13 CO 0.00 0.06 0.45 -0.65 0.37 0.00 0.00 175.52 175.75 1up6 h PRO 14 N 0.31 0.77 -0.47 6.66 0.11 -1.82 -0.45 132.00 137.13 1up6 h PRO 14 Ca 0.46 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 66.43 1up6 h PRO 14 Cb 0.80 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.72 1up6 h PRO 14 CO -0.52 0.51 -0.09 0.93 -0.21 0.00 0.00 178.00 178.62 1up6 h GLU 15 N 0.80 0.84 -0.43 1.05 4.39 -1.72 -1.60 114.58 117.91 1up6 h GLU 15 Ca 0.36 -0.28 0.06 0.00 0.34 0.00 0.00 59.36 59.85 1up6 h GLU 15 Cb 0.26 -0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 28.79 1up6 h GLU 15 CO -0.21 0.90 0.11 1.25 -1.16 0.00 0.00 179.01 179.90 1up6 h LEU 16 N 0.76 0.06 -0.95 1.33 5.85 -1.01 -1.67 115.31 119.68 1up6 h LEU 16 Ca 0.13 0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.84 1up6 h LEU 16 Cb 0.59 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 1up6 h LEU 16 CO 0.04 0.07 0.00 0.58 -0.34 0.00 0.00 178.44 178.79 1up6 h VAL 17 N 0.25 1.24 -0.40 1.05 2.07 -0.79 0.34 116.25 120.01 1up6 h VAL 17 Ca 0.20 -0.98 0.00 0.00 0.82 0.00 0.00 66.70 66.75 1up6 h VAL 17 Cb 0.23 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 1up6 h VAL 17 CO -0.25 0.34 0.27 0.50 0.02 0.00 0.00 177.57 178.45 1up6 h LYS 18 N 0.71 0.53 -0.32 1.57 3.64 -1.00 0.70 116.57 122.40 1up6 h LYS 18 Ca 0.14 -0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.55 1up6 h LYS 18 Cb 0.44 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 32.08 1up6 h LYS 18 CO 0.02 0.35 -0.02 0.78 -2.27 0.00 0.00 179.45 178.31 1up6 h GLY 19 N 0.55 0.29 1.01 5.01 0.00 -0.74 0.86 103.07 110.05 1up6 h GLY 19 Ca 0.15 0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.53 1up6 h GLY 19 CO -0.03 -0.08 0.57 1.41 0.00 0.00 0.00 176.54 178.40 1up6 h LEU 20 N 0.07 1.06 -0.46 3.11 3.38 -0.05 -1.63 115.31 120.78 1up6 h LEU 20 Ca 0.15 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1up6 h LEU 20 Cb 0.22 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1up6 h LEU 20 CO -0.28 0.79 0.20 -0.07 0.09 0.00 0.00 178.44 179.17 1up6 h LEU 21 N 1.23 0.63 -1.26 1.67 3.38 0.89 -1.72 115.31 120.13 1up6 h LEU 21 Ca 0.33 -0.16 0.06 0.00 0.09 0.00 0.00 57.88 58.20 1up6 h LEU 21 Cb -0.09 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.44 1up6 h LEU 21 CO -0.07 0.61 0.53 0.44 0.09 0.00 0.00 178.44 180.05 1up6 h ASP 22 N 0.60 0.80 0.97 -0.43 3.32 -0.22 -2.33 116.42 119.14 1up6 h ASP 22 Ca 0.16 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.21 1up6 h ASP 22 Cb 0.17 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1up6 h ASP 22 CO -0.02 0.52 -0.30 2.30 -1.72 0.00 0.00 179.24 180.02 1up6 n ILE 23 N -4.48 0.26 0.35 0.35 -5.35 -0.67 -4.03 119.36 105.79 1up6 n ILE 23 Ca 0.12 -0.16 0.06 0.00 -0.27 0.00 0.00 62.75 62.50 1up6 n ILE 23 Cb 0.20 -0.24 0.25 0.00 -1.74 0.00 0.00 39.64 38.10 1up6 n ILE 23 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1up6 n SER 24 N -1.88 0.06 0.07 7.28 3.41 -0.67 -0.85 113.62 121.04 1up6 n SER 24 Ca 0.05 0.52 -0.04 0.00 -0.26 0.00 0.00 58.87 59.14 1up6 n SER 24 Cb 0.39 -0.53 -0.08 0.00 -0.26 0.00 0.00 64.21 63.73 1up6 n SER 24 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1up6 h GLU 25 N 0.00 0.00 0.02 4.33 5.08 -1.72 -3.38 114.58 118.91 1up6 h GLU 25 Ca 0.00 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.03 1up6 h GLU 25 Cb 0.19 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.38 1up6 h GLU 25 CO 0.00 0.79 -2.01 -0.25 -1.00 0.00 0.00 179.01 176.54 1up6 n ASP 26 N -3.27 0.96 -4.23 1.42 8.00 -0.03 -4.96 116.55 114.45 1up6 n ASP 26 Ca -0.01 0.22 -0.18 0.00 0.71 0.00 0.00 54.79 55.53 1up6 n ASP 26 Cb 0.89 0.04 -0.11 0.00 -0.02 0.00 0.00 41.12 41.92 1up6 n ASP 26 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1up6 s VAL 27 N -2.56 1.26 -0.12 2.53 -7.23 -0.69 -5.05 120.40 108.55 1up6 s VAL 27 Ca -0.12 -1.67 -0.26 0.00 -1.81 0.00 0.00 61.98 58.12 1up6 s VAL 27 Cb 0.07 -1.47 -0.02 0.00 0.56 0.00 0.00 36.38 35.52 1up6 s VAL 27 CO 0.80 -0.42 0.84 -0.60 -0.31 0.00 0.00 175.10 175.40 1up6 s ARG 28 N -2.61 4.37 -0.17 4.82 3.52 -1.26 -4.27 118.95 123.35 1up6 s ARG 28 Ca 0.08 1.07 0.00 0.00 -0.13 0.00 0.00 55.73 56.75 1up6 s ARG 28 Cb -0.05 -3.53 0.04 0.00 -1.56 0.00 0.00 34.95 29.85 1up6 s ARG 28 CO 0.03 -0.21 -0.10 0.42 -0.81 0.00 0.00 175.30 174.63 1up6 s ILE 29 N 1.70 1.47 -0.08 4.11 1.01 -1.26 -4.94 121.20 123.21 1up6 s ILE 29 Ca 0.41 -0.78 -0.17 0.00 0.00 0.00 0.00 60.65 60.11 1up6 s ILE 29 Cb -0.17 -1.52 -0.29 0.00 0.01 0.00 0.00 42.46 40.49 1up6 s ILE 29 CO 0.16 0.26 0.67 0.44 0.00 0.00 0.00 174.94 176.46 1up6 h ASP 30 N 8.04 0.44 -4.53 3.58 3.32 -1.95 -3.43 116.42 121.90 1up6 h ASP 30 Ca -0.30 -0.89 -0.12 0.00 0.02 0.00 0.00 57.03 55.75 1up6 h ASP 30 Cb 1.11 -0.14 -0.22 0.00 0.22 0.00 0.00 39.33 40.30 1up6 h ASP 30 CO 0.47 1.58 -0.24 -1.83 -1.72 0.00 0.00 179.24 177.50 1up6 s GLU 31 N -2.48 0.61 -0.17 3.56 -1.05 -1.26 -0.98 118.70 116.92 1up6 s GLU 31 Ca -0.17 0.14 0.01 0.00 -0.15 0.00 0.00 54.97 54.80 1up6 s GLU 31 Cb 0.04 0.28 0.01 0.00 -0.44 0.00 0.00 34.13 34.02 1up6 s GLU 31 CO 0.80 -0.14 -0.19 0.08 0.95 0.00 0.00 175.26 176.75 1up6 s VAL 32 N -0.68 2.17 -0.11 1.83 1.01 0.19 -1.87 120.40 122.94 1up6 s VAL 32 Ca -0.08 -0.92 -0.02 0.00 0.00 0.00 0.00 61.98 60.97 1up6 s VAL 32 Cb -0.04 -1.90 -0.03 0.00 0.00 0.00 0.00 36.38 34.41 1up6 s VAL 32 CO 0.03 0.53 -0.04 -0.51 0.00 0.00 0.00 175.10 175.11 1up6 s ILE 33 N 1.16 3.88 -0.08 2.22 2.07 -0.65 -1.00 121.20 128.80 1up6 s ILE 33 Ca 0.01 -0.39 0.01 0.00 -1.41 0.00 0.00 60.65 58.88 1up6 s ILE 33 Cb -0.14 -2.64 -0.03 0.00 0.13 0.00 0.00 42.46 39.78 1up6 s ILE 33 CO -0.09 0.55 -0.09 -0.36 -1.91 0.00 0.00 174.94 173.04 1up6 s PHE 34 N -0.28 2.87 0.01 3.50 0.08 0.12 -0.50 117.98 123.78 1up6 s PHE 34 Ca 0.05 -0.11 0.04 0.00 0.12 0.00 0.00 56.93 57.02 1up6 s PHE 34 Cb -0.13 -1.72 -0.02 0.00 -0.57 0.00 0.00 43.02 40.59 1up6 s PHE 34 CO 0.02 0.21 -0.13 -0.47 -0.10 0.00 0.00 175.22 174.76 1up6 s TYR 35 N -0.58 1.11 -0.21 0.36 5.04 -0.37 -0.61 117.35 122.08 1up6 s TYR 35 Ca 0.09 -0.28 -0.22 0.00 -2.44 0.00 0.00 57.07 54.22 1up6 s TYR 35 Cb -0.12 -0.68 0.06 0.00 0.35 0.00 0.00 41.96 41.57 1up6 s TYR 35 CO 0.02 0.00 0.61 0.34 -1.34 0.00 0.00 175.55 175.18 1up6 s ASP 36 N -0.72 -0.63 0.50 4.32 -1.08 -1.26 0.34 116.67 118.14 1up6 s ASP 36 Ca 0.03 1.16 0.19 0.00 -0.52 0.00 0.00 52.55 53.41 1up6 s ASP 36 Cb -0.06 1.17 1.29 0.00 -1.46 0.00 0.00 42.92 43.85 1up6 s ASP 36 CO 0.00 -0.25 2.09 0.16 0.52 0.00 0.00 175.17 177.70 1up6 h ILE 37 N 4.07 0.90 -3.35 4.11 3.07 -1.98 -3.37 117.51 120.97 1up6 h ILE 37 Ca -0.28 -0.34 -0.77 0.00 1.55 0.00 0.00 64.86 65.02 1up6 h ILE 37 Cb 1.17 1.19 -0.24 0.00 -0.27 0.00 0.00 36.82 38.66 1up6 h ILE 37 CO 0.15 0.09 -0.05 -0.62 -1.05 0.00 0.00 178.15 176.67 1up6 s ASP 38 N -6.74 6.43 0.34 2.16 -1.08 -1.26 -4.93 116.67 111.58 1up6 s ASP 38 Ca -0.04 -2.13 0.06 0.00 -0.52 0.00 0.00 52.55 49.92 1up6 s ASP 38 Cb 0.16 -2.22 0.60 0.00 -1.46 0.00 0.00 42.92 40.00 1up6 s ASP 38 CO 0.65 -0.77 1.82 -0.08 0.52 0.00 0.00 175.17 177.31 1up6 h GLU 39 N 8.47 0.34 0.03 4.34 4.81 -2.01 -2.81 114.58 127.75 1up6 h GLU 39 Ca -0.13 -0.10 -0.26 0.00 -0.13 0.00 0.00 59.36 58.74 1up6 h GLU 39 Cb 1.07 -0.03 0.01 0.00 0.63 0.00 0.00 28.75 30.43 1up6 h GLU 39 CO 0.93 0.53 -1.05 0.93 -0.73 0.00 0.00 179.01 179.62 1up6 h GLU 40 N 0.32 0.56 -0.37 1.92 3.07 -1.95 -2.03 114.58 116.09 1up6 h GLU 40 Ca 0.06 -0.64 -0.17 0.00 -0.50 0.00 0.00 59.36 58.11 1up6 h GLU 40 Cb 0.52 0.19 -0.00 0.00 -0.84 0.00 0.00 28.75 28.62 1up6 h GLU 40 CO 0.03 1.25 -0.42 -0.22 -1.40 0.00 0.00 179.01 178.25 1up6 h LYS 41 N 0.30 0.93 -0.40 2.33 3.64 -1.94 -3.04 116.57 118.39 1up6 h LYS 41 Ca -0.12 -0.51 -0.09 0.00 -1.27 0.00 0.00 60.65 58.65 1up6 h LYS 41 Cb 1.71 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 33.54 1up6 h LYS 41 CO 0.20 1.17 -0.13 0.37 -2.27 0.00 0.00 179.45 178.78 1up6 h GLN 42 N 0.75 0.73 -0.47 1.90 4.15 -1.47 -3.02 115.11 117.68 1up6 h GLN 42 Ca 0.05 -0.25 0.03 0.00 0.77 0.00 0.00 58.65 59.25 1up6 h GLN 42 Cb 1.02 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 28.62 1up6 h GLN 42 CO 0.10 0.83 0.27 -0.22 -1.93 0.00 0.00 178.83 177.88 1up6 h LYS 43 N 0.66 0.52 0.19 1.69 3.64 -1.25 0.23 116.57 122.24 1up6 h LYS 43 Ca 0.11 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.47 1up6 h LYS 43 Cb 0.60 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.27 1up6 h LYS 43 CO 0.04 0.34 -0.32 0.82 -2.27 0.00 0.00 179.45 178.07 1up6 h ILE 44 N 0.53 0.33 -0.39 2.00 2.04 -1.51 0.50 117.51 121.02 1up6 h ILE 44 Ca 0.19 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.12 1up6 h ILE 44 Cb 0.05 0.33 -0.05 0.00 -0.74 0.00 0.00 36.82 36.40 1up6 h ILE 44 CO -0.10 0.00 0.06 0.58 0.00 0.00 0.00 178.15 178.68 1up6 h VAL 45 N -0.58 0.78 0.00 1.67 2.07 -1.35 -2.32 116.25 116.52 1up6 h VAL 45 Ca 0.01 -0.06 -0.10 0.00 0.82 0.00 0.00 66.70 67.38 1up6 h VAL 45 Cb 0.58 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1up6 h VAL 45 CO -0.14 0.03 -0.46 0.58 0.02 0.00 0.00 177.57 177.60 1up6 h VAL 46 N 0.17 1.20 -0.55 2.57 2.07 -0.31 -0.11 116.25 121.29 1up6 h VAL 46 Ca 0.19 -1.63 -0.07 0.00 0.82 0.00 0.00 66.70 66.01 1up6 h VAL 46 Cb 0.23 1.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.89 1up6 h VAL 46 CO -0.26 0.45 0.06 0.44 0.02 0.00 0.00 177.57 178.27 1up6 h ASP 47 N 0.00 0.90 -0.37 0.57 3.32 -0.59 -0.84 116.42 119.41 1up6 h ASP 47 Ca -0.00 -0.28 -0.02 0.00 0.02 0.00 0.00 57.03 56.75 1up6 h ASP 47 Cb 0.87 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.16 1up6 h ASP 47 CO 0.06 0.95 0.14 0.15 -1.72 0.00 0.00 179.24 178.82 1up6 h PHE 48 N 0.82 0.57 -0.46 4.55 3.57 -0.88 -2.93 116.94 122.20 1up6 h PHE 48 Ca 0.16 -0.05 0.05 0.00 3.53 0.00 0.00 57.97 61.67 1up6 h PHE 48 Cb 0.45 -0.17 -0.05 0.00 2.79 0.00 0.00 35.95 38.97 1up6 h PHE 48 CO 0.03 0.53 0.19 0.28 -2.23 0.00 0.00 178.31 177.11 1up6 h VAL 49 N 0.45 0.90 -0.97 1.41 2.07 -0.87 -2.04 116.25 117.21 1up6 h VAL 49 Ca 0.12 -0.13 0.17 0.00 0.82 0.00 0.00 66.70 67.68 1up6 h VAL 49 Cb 0.20 0.48 -0.09 0.00 -1.52 0.00 0.00 31.29 30.37 1up6 h VAL 49 CO -0.01 0.07 0.61 0.11 0.02 0.00 0.00 177.57 178.37 1up6 h LYS 50 N 0.39 0.71 -0.03 1.57 1.57 -1.04 -0.61 116.57 119.13 1up6 h LYS 50 Ca 0.21 -0.04 -0.13 0.00 -1.87 0.00 0.00 60.65 58.81 1up6 h LYS 50 Cb 0.17 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 1up6 h LYS 50 CO -0.19 0.47 -0.59 0.00 -0.57 0.00 0.00 179.45 178.57 1up6 h ARG 51 N 0.73 0.11 0.06 3.15 3.08 -1.20 -2.77 114.38 117.54 1up6 h ARG 51 Ca 0.52 -0.08 -0.24 0.00 0.07 0.00 0.00 59.98 60.26 1up6 h ARG 51 Cb 0.84 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.90 1up6 h ARG 51 CO -0.29 0.67 -1.07 -0.07 -1.07 0.00 0.00 179.97 178.14 1up6 h LEU 52 N 0.08 0.32 -0.29 3.04 3.38 -0.89 -3.34 115.31 117.61 1up6 h LEU 52 Ca -0.01 -0.31 -0.20 0.00 0.09 0.00 0.00 57.88 57.45 1up6 h LEU 52 Cb 1.07 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.71 1up6 h LEU 52 CO 0.08 1.19 -0.85 0.58 0.09 0.00 0.00 178.44 179.54 1up6 h VAL 53 N 0.09 1.43 -6.65 1.22 2.07 -1.07 -3.48 116.25 109.85 1up6 h VAL 53 Ca -0.08 -2.41 -0.53 0.00 0.82 0.00 0.00 66.70 64.50 1up6 h VAL 53 Cb 1.78 2.34 -0.14 0.00 -1.52 0.00 0.00 31.29 33.74 1up6 h VAL 53 CO 0.17 0.71 -0.86 0.29 0.02 0.00 0.00 177.57 177.90 1up6 n LYS 54 N -3.74 -3.14 -2.48 1.57 5.02 -1.05 -2.03 118.16 112.30 1up6 n LYS 54 Ca -0.05 0.37 -0.17 0.00 -2.02 0.00 0.00 58.31 56.44 1up6 n LYS 54 Cb 0.78 -4.77 0.00 0.00 -0.02 0.00 0.00 35.03 31.03 1up6 n LYS 54 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1up6 n ASP 55 N -2.82 -5.12 0.08 4.39 8.00 -1.26 -4.91 116.55 114.92 1up6 n ASP 55 Ca -0.12 -0.08 -0.09 0.00 0.71 0.00 0.00 54.79 55.22 1up6 n ASP 55 Cb 0.59 -4.14 -0.06 0.00 -0.02 0.00 0.00 41.12 37.48 1up6 n ASP 55 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1up6 h ARG 56 N -0.32 0.13 -4.70 -1.24 3.08 -1.81 -3.46 114.38 106.07 1up6 h ARG 56 Ca -0.42 -0.18 -0.32 0.00 0.07 0.00 0.00 59.98 59.13 1up6 h ARG 56 Cb 1.30 0.06 -0.14 0.00 0.08 0.00 0.00 29.97 31.27 1up6 h ARG 56 CO 0.48 1.01 -0.58 -0.59 -1.07 0.00 0.00 179.97 179.22 1up6 s PHE 57 N -2.94 1.37 0.23 3.04 -0.12 -1.26 -4.96 117.98 113.33 1up6 s PHE 57 Ca -0.02 -1.47 -0.30 0.00 -0.05 0.00 0.00 56.93 55.10 1up6 s PHE 57 Cb 0.10 -0.62 -0.09 0.00 -0.63 0.00 0.00 43.02 41.78 1up6 s PHE 57 CO 0.83 -0.71 1.00 0.15 -0.05 0.00 0.00 175.22 176.44 1up6 s LYS 58 N -3.92 4.76 -0.22 1.99 1.02 -0.16 -4.93 119.74 118.29 1up6 s LYS 58 Ca 0.39 1.59 -0.04 0.00 0.02 0.00 0.00 55.97 57.93 1up6 s LYS 58 Cb 0.05 -3.27 -0.01 0.00 -0.52 0.00 0.00 37.83 34.09 1up6 s LYS 58 CO 0.17 0.37 -0.04 0.08 -0.92 0.00 0.00 175.35 175.01 1up6 s VAL 59 N -0.96 3.35 0.15 3.17 1.01 -1.26 -0.64 120.40 125.22 1up6 s VAL 59 Ca 0.43 -0.54 0.10 0.00 0.00 0.00 0.00 61.98 61.97 1up6 s VAL 59 Cb -0.28 -2.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.52 1up6 s VAL 59 CO 0.34 0.40 -0.23 -0.76 0.00 0.00 0.00 175.10 174.85 1up6 s LEU 60 N 1.47 2.38 -0.10 3.92 1.43 -0.17 -4.99 118.68 122.62 1up6 s LEU 60 Ca 0.05 -0.80 0.01 0.00 -1.03 0.00 0.00 54.13 52.37 1up6 s LEU 60 Cb -0.14 -1.06 -0.02 0.00 0.03 0.00 0.00 46.19 44.99 1up6 s LEU 60 CO -0.03 0.10 -0.12 -0.63 0.23 0.00 0.00 176.35 175.89 1up6 s ILE 61 N -1.46 3.16 -0.13 -0.59 1.01 -1.26 0.14 121.20 122.07 1up6 s ILE 61 Ca 0.15 -0.65 -0.05 0.00 0.00 0.00 0.00 60.65 60.10 1up6 s ILE 61 Cb -0.09 -2.30 -0.04 0.00 0.01 0.00 0.00 42.46 40.05 1up6 s ILE 61 CO 0.07 0.55 0.06 -0.55 0.00 0.00 0.00 174.94 175.07 1up6 s SER 62 N -0.10 5.72 0.16 3.58 0.15 0.22 -4.88 113.70 118.55 1up6 s SER 62 Ca -0.01 0.22 0.25 0.00 0.70 0.00 0.00 55.95 57.10 1up6 s SER 62 Cb -0.14 -1.83 0.92 0.00 -1.71 0.00 0.00 66.02 63.26 1up6 s SER 62 CO 0.03 0.31 1.75 0.47 1.20 0.00 0.00 173.24 177.01 1up6 n ASP 63 N 2.59 0.54 -4.22 5.45 8.00 -1.26 -4.49 116.55 123.16 1up6 n ASP 63 Ca -0.18 0.58 -0.18 0.00 0.71 0.00 0.00 54.79 55.71 1up6 n ASP 63 Cb 0.54 -0.71 -0.11 0.00 -0.02 0.00 0.00 41.12 40.81 1up6 n ASP 63 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1up6 s THR 64 N -3.13 1.27 0.12 -3.53 -4.23 -1.26 -4.98 115.64 99.91 1up6 s THR 64 Ca 0.09 -1.56 -0.16 0.00 -1.18 0.00 0.00 61.69 58.88 1up6 s THR 64 Cb 0.12 -1.37 -0.02 0.00 1.34 0.00 0.00 72.50 72.57 1up6 s THR 64 CO 0.49 -0.33 1.64 0.15 -0.54 0.00 0.00 174.62 176.03 1up6 h PHE 65 N 3.83 0.61 -1.01 3.99 3.04 -1.98 -2.89 116.94 122.53 1up6 h PHE 65 Ca -0.41 -0.07 0.03 0.00 3.98 0.00 0.00 57.97 61.51 1up6 h PHE 65 Cb 1.19 -0.18 -0.06 0.00 2.56 0.00 0.00 35.95 39.47 1up6 h PHE 65 CO 0.64 0.59 0.66 1.49 -2.02 0.00 0.00 178.31 179.67 1up6 h GLU 66 N 0.46 1.27 0.00 1.11 4.81 -1.98 -2.24 114.58 118.01 1up6 h GLU 66 Ca 0.12 -0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 59.24 1up6 h GLU 66 Cb 0.27 -0.29 -0.00 0.00 0.63 0.00 0.00 28.75 29.36 1up6 h GLU 66 CO -0.00 0.84 -0.16 0.78 -0.73 0.00 0.00 179.01 179.73 1up6 h GLY 67 N 1.31 0.00 1.15 1.92 0.00 -1.95 -1.65 103.07 103.86 1up6 h GLY 67 Ca 0.39 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.51 1up6 h GLY 67 CO -0.11 0.00 -0.72 0.00 0.00 0.00 0.00 176.54 175.71 1up6 h ALA 68 N 1.84 0.33 0.00 3.60 0.00 -1.21 -3.38 119.26 120.44 1up6 h ALA 68 Ca -0.00 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1up6 h ALA 68 Cb 0.31 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1up6 h ALA 68 CO 0.02 0.66 -1.36 1.33 0.00 0.00 0.00 179.25 179.91 1up6 n VAL 69 N -3.97 0.14 -0.21 0.00 0.24 -0.99 -4.54 118.33 109.00 1up6 n VAL 69 Ca -0.07 -0.33 -0.01 0.00 -2.04 0.00 0.00 64.34 61.89 1up6 n VAL 69 Cb 0.72 0.18 0.11 0.00 -1.47 0.00 0.00 33.84 33.38 1up6 n VAL 69 CO 0.00 0.00 0.00 1.62 -2.14 0.00 0.00 176.83 176.31 1up6 h VAL 70 N 0.00 0.86 -0.44 3.34 3.04 -1.48 -2.04 116.25 119.54 1up6 h VAL 70 Ca 0.00 -0.18 -0.03 0.00 -1.01 0.00 0.00 66.70 65.47 1up6 h VAL 70 Cb 0.82 0.28 -0.02 0.00 -2.01 0.00 0.00 31.29 30.36 1up6 h VAL 70 CO 0.00 0.10 0.03 0.47 -1.01 0.00 0.00 177.57 177.16 1up6 n ASP 71 N -4.90 4.61 -4.80 3.17 8.00 -1.26 -3.80 116.55 117.57 1up6 n ASP 71 Ca 0.09 -3.05 -0.38 0.00 0.71 0.00 0.00 54.79 52.15 1up6 n ASP 71 Cb 0.23 -0.63 -0.06 0.00 -0.02 0.00 0.00 41.12 40.65 1up6 n ASP 71 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1up6 s ALA 72 N -2.85 3.58 0.02 2.24 0.00 -0.77 -4.50 121.76 119.47 1up6 s ALA 72 Ca 0.48 -0.03 0.07 0.00 0.00 0.00 0.00 51.96 52.48 1up6 s ALA 72 Cb 0.38 -2.62 -0.24 0.00 0.00 0.00 0.00 23.12 20.65 1up6 s ALA 72 CO 0.12 0.33 0.89 -0.22 0.00 0.00 0.00 175.76 176.88 1up6 h LYS 73 N 4.97 0.06 -4.78 0.00 3.64 -1.31 -3.38 116.57 115.79 1up6 h LYS 73 Ca -0.48 -0.11 -0.40 0.00 -1.27 0.00 0.00 60.65 58.38 1up6 h LYS 73 Cb 1.21 0.04 -0.29 0.00 -0.41 0.00 0.00 32.23 32.78 1up6 h LYS 73 CO 0.65 0.82 -0.78 0.71 -2.27 0.00 0.00 179.45 178.58 1up6 s TYR 74 N -2.64 0.86 -0.17 1.91 2.02 -1.20 -2.11 117.35 116.02 1up6 s TYR 74 Ca -0.04 -0.17 0.01 0.00 -0.37 0.00 0.00 57.07 56.50 1up6 s TYR 74 Cb 0.08 -0.56 0.03 0.00 -0.40 0.00 0.00 41.96 41.11 1up6 s TYR 74 CO 0.83 -0.02 -0.12 0.08 -1.57 0.00 0.00 175.55 174.74 1up6 s VAL 75 N -0.20 1.60 -0.26 0.71 1.01 -0.50 -0.06 120.40 122.71 1up6 s VAL 75 Ca 0.03 -0.80 -0.11 0.00 0.00 0.00 0.00 61.98 61.11 1up6 s VAL 75 Cb -0.04 -1.58 -0.05 0.00 0.00 0.00 0.00 36.38 34.71 1up6 s VAL 75 CO -0.00 0.33 0.19 -0.63 0.00 0.00 0.00 175.10 174.99 1up6 s ILE 76 N 1.45 5.32 -0.29 2.22 1.01 0.10 -0.84 121.20 130.17 1up6 s ILE 76 Ca 0.02 0.22 -0.20 0.00 0.00 0.00 0.00 60.65 60.69 1up6 s ILE 76 Cb -0.14 -3.53 -0.01 0.00 0.01 0.00 0.00 42.46 38.78 1up6 s ILE 76 CO -0.10 0.29 0.62 -0.36 0.00 0.00 0.00 174.94 175.39 1up6 s PHE 77 N 1.43 3.24 -0.00 3.97 0.40 -0.30 -0.84 117.98 125.88 1up6 s PHE 77 Ca 0.08 0.66 0.00 0.00 -0.60 0.00 0.00 56.93 57.07 1up6 s PHE 77 Cb -0.15 -2.92 0.00 0.00 0.51 0.00 0.00 43.02 40.46 1up6 s PHE 77 CO 0.08 -0.41 0.64 0.94 0.70 0.00 0.00 175.22 177.16 1up6 n GLN 78 N 5.80 0.13 -3.36 0.44 7.27 -0.40 -0.32 117.38 126.93 1up6 n GLN 78 Ca -0.01 -0.67 -0.21 0.00 0.07 0.00 0.00 57.00 56.17 1up6 n GLN 78 Cb 0.49 -0.53 -0.00 0.00 2.41 0.00 0.00 30.24 32.61 1up6 n GLN 78 CO 0.00 0.00 0.00 -0.59 0.07 0.00 0.00 177.06 176.54 1up6 s PHE 79 N -0.07 3.26 -0.37 3.69 -0.71 -1.17 -4.72 117.98 117.88 1up6 s PHE 79 Ca 0.00 0.05 0.01 0.00 -1.04 0.00 0.00 56.93 55.95 1up6 s PHE 79 Cb 0.00 -2.03 0.12 0.00 -1.21 0.00 0.00 43.02 39.90 1up6 s PHE 79 CO 0.00 -0.05 0.16 0.50 -1.34 0.00 0.00 175.22 174.49 1up6 s ARG 80 N -4.30 1.02 0.22 1.99 6.06 -1.26 -4.57 118.95 118.11 1up6 s ARG 80 Ca 0.44 -1.55 -0.31 0.00 -2.50 0.00 0.00 55.73 51.80 1up6 s ARG 80 Cb -0.10 -2.21 -0.11 0.00 0.06 0.00 0.00 34.95 32.59 1up6 s ARG 80 CO 0.34 -1.07 1.65 -2.14 -2.50 0.00 0.00 175.30 171.58 1up6 s PRO 81 N 0.99 4.15 0.00 5.12 0.02 -1.26 -0.89 135.00 143.13 1up6 s PRO 81 Ca 0.14 2.54 0.00 0.00 0.02 0.00 0.00 61.00 63.70 1up6 s PRO 81 Cb -0.21 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.23 1up6 s PRO 81 CO -0.12 -0.69 0.00 0.41 -0.33 0.00 0.00 177.00 176.28 1up6 n GLY 82 N 3.48 2.72 6.66 0.52 0.00 -1.26 -4.85 105.19 112.46 1up6 n GLY 82 Ca 0.14 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.16 1up6 n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1up6 n GLY 83 N -2.00 -1.39 0.21 -0.02 0.00 -0.07 -1.74 105.19 100.20 1up6 n GLY 83 Ca 0.00 -1.16 0.05 0.00 0.00 0.00 0.00 46.02 44.91 1up6 n GLY 83 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1up6 h LEU 84 N 0.00 0.00 -1.35 0.99 3.38 -1.92 -1.13 115.31 115.28 1up6 h LEU 84 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.99 1up6 h LEU 84 Cb 0.05 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1up6 h LEU 84 CO 0.00 0.24 0.45 0.50 0.09 0.00 0.00 178.44 179.72 1up6 h LYS 85 N 0.00 0.86 -0.36 1.13 1.63 -1.97 0.15 116.57 118.00 1up6 h LYS 85 Ca -0.00 -0.05 -0.15 0.00 -0.85 0.00 0.00 60.65 59.60 1up6 h LYS 85 Cb 0.44 -0.19 -0.01 0.00 -0.60 0.00 0.00 32.23 31.86 1up6 h LYS 85 CO 0.03 0.57 -0.36 0.78 -3.45 0.00 0.00 179.45 177.02 1up6 h GLY 86 N 0.88 0.91 1.22 5.01 0.00 -0.36 -2.43 103.07 108.31 1up6 h GLY 86 Ca 0.25 -0.90 -0.12 0.00 0.00 0.00 0.00 47.33 46.57 1up6 h GLY 86 CO -0.06 0.81 -0.19 -0.09 0.00 0.00 0.00 176.54 177.01 1up6 h ARG 87 N 0.69 0.90 -0.67 4.80 2.43 -0.91 -0.35 114.38 121.27 1up6 h ARG 87 Ca 0.06 -0.36 0.02 0.00 -0.81 0.00 0.00 59.98 58.90 1up6 h ARG 87 Cb 0.92 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.39 1up6 h ARG 87 CO 0.09 1.01 0.43 1.49 -1.51 0.00 0.00 179.97 181.47 1up6 h GLU 88 N 0.79 0.83 -0.57 0.20 4.81 -0.61 -0.70 114.58 119.32 1up6 h GLU 88 Ca 0.11 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 1up6 h GLU 88 Cb 0.73 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.89 1up6 h GLU 88 CO 0.06 0.55 0.32 -0.91 -0.73 0.00 0.00 179.01 178.30 1up6 h ASN 89 N 0.86 0.70 -0.51 1.04 2.35 -1.05 -1.25 115.58 117.72 1up6 h ASN 89 Ca 0.26 -0.08 0.06 0.00 -0.55 0.00 0.00 56.30 55.98 1up6 h ASN 89 Cb -0.04 -0.18 -0.05 0.00 0.05 0.00 0.00 38.32 38.10 1up6 h ASN 89 CO -0.08 0.58 0.23 0.44 -1.65 0.00 0.00 177.43 176.95 1up6 h ASP 90 N 0.77 0.30 0.30 5.81 3.32 -0.56 -1.67 116.42 124.70 1up6 h ASP 90 Ca 0.20 0.04 -0.23 0.00 0.02 0.00 0.00 57.03 57.07 1up6 h ASP 90 Cb 0.02 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.57 1up6 h ASP 90 CO -0.03 0.20 -0.93 -0.33 -1.72 0.00 0.00 179.24 176.42 1up6 h GLU 91 N 0.44 0.43 0.02 3.56 5.08 -1.06 -3.36 114.58 119.71 1up6 h GLU 91 Ca 0.24 -0.46 -0.32 0.00 -1.00 0.00 0.00 59.36 57.82 1up6 h GLU 91 Cb 0.19 0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.53 1up6 h GLU 91 CO -0.20 1.12 -1.85 0.41 -1.00 0.00 0.00 179.01 177.49 1up6 n GLY 92 N 0.93 -0.90 0.18 -3.84 0.00 -0.48 -4.14 105.19 96.94 1up6 n GLY 92 Ca -0.07 -0.12 -0.09 0.00 0.00 0.00 0.00 46.02 45.75 1up6 n GLY 92 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1up6 h ILE 93 N 0.01 1.18 0.00 -0.61 2.04 -1.50 -2.87 117.51 115.77 1up6 h ILE 93 Ca -0.34 -0.54 -0.00 0.00 1.00 0.00 0.00 64.86 64.97 1up6 h ILE 93 Cb 2.04 0.83 -0.00 0.00 -0.74 0.00 0.00 36.82 38.95 1up6 h ILE 93 CO 0.07 0.20 -0.02 -0.65 0.00 0.00 0.00 178.15 177.75 1up6 h PRO 94 N 0.48 0.00 -0.75 2.37 0.11 -1.78 -3.28 132.00 129.14 1up6 h PRO 94 Ca 0.13 0.00 0.06 0.00 0.11 0.00 0.00 66.00 66.30 1up6 h PRO 94 Cb 0.15 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.21 1up6 h PRO 94 CO -0.01 0.02 0.45 -0.07 -0.21 0.00 0.00 178.00 178.17 1up6 h LEU 95 N 0.00 0.68 -0.45 2.35 4.07 -1.59 -1.88 115.31 118.50 1up6 h LEU 95 Ca -0.00 0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.98 1up6 h LEU 95 Cb 0.24 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 41.87 1up6 h LEU 95 CO 0.00 0.44 0.00 2.29 -1.08 0.00 0.00 178.44 180.09 1up6 n LYS 96 N -4.71 0.13 -0.09 1.13 2.85 -1.24 -0.88 118.16 115.36 1up6 n LYS 96 Ca 0.10 0.36 0.11 0.00 -1.05 0.00 0.00 58.31 57.83 1up6 n LYS 96 Cb 0.18 -1.74 0.33 0.00 -0.65 0.00 0.00 35.03 33.14 1up6 n LYS 96 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1up6 n TYR 97 N -1.99 0.24 -1.25 5.58 4.01 -0.77 -4.92 117.16 118.06 1up6 n TYR 97 Ca 0.03 -0.12 -0.04 0.00 -0.16 0.00 0.00 57.90 57.61 1up6 n TYR 97 Cb 0.22 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.23 1up6 n TYR 97 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1up6 n GLY 98 N 1.24 0.63 3.79 2.72 0.00 -0.05 -5.02 105.19 108.50 1up6 n GLY 98 Ca 0.17 -0.86 -0.28 0.00 0.00 0.00 0.00 46.02 45.05 1up6 n GLY 98 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1up6 s LEU 99 N -0.98 3.82 0.05 0.99 1.02 -0.83 -5.02 118.68 117.73 1up6 s LEU 99 Ca 0.00 -0.06 -0.34 0.00 0.02 0.00 0.00 54.13 53.75 1up6 s LEU 99 Cb 0.00 -2.47 -0.13 0.00 0.02 0.00 0.00 46.19 43.62 1up6 s LEU 99 CO 0.00 0.12 1.72 -0.38 0.02 0.00 0.00 176.35 177.83 1up6 n ILE 100 N 0.07 0.28 -3.87 -0.59 2.08 -1.26 -3.73 119.36 112.33 1up6 n ILE 100 Ca -0.08 -0.05 -0.36 0.00 0.56 0.00 0.00 62.75 62.82 1up6 n ILE 100 Cb 0.53 -1.71 -0.13 0.00 -0.75 0.00 0.00 39.64 37.58 1up6 n ILE 100 CO 0.00 0.00 0.00 -0.83 0.56 0.00 0.00 176.55 176.28 1up6 s GLY 101 N 2.39 1.72 -0.05 7.39 0.00 -1.26 -4.38 107.32 113.14 1up6 s GLY 101 Ca 0.85 -1.55 -0.19 0.00 0.00 0.00 0.00 44.72 43.83 1up6 s GLY 101 CO 0.44 0.62 0.42 1.62 0.00 0.00 0.00 173.10 176.20 1up6 s GLN 102 N 1.37 0.73 0.26 2.90 -0.44 -1.26 -4.72 119.66 118.51 1up6 s GLN 102 Ca -0.00 0.06 -0.03 0.00 -2.50 0.00 0.00 55.36 52.89 1up6 s GLN 102 Cb -0.18 0.34 0.55 0.00 -1.64 0.00 0.00 33.01 32.08 1up6 s GLN 102 CO -0.01 -0.20 1.66 1.49 0.50 0.00 0.00 175.29 178.74 1up6 h GLU 103 N 3.95 0.22 0.00 1.67 4.81 -1.90 -3.27 114.58 120.05 1up6 h GLU 103 Ca -0.29 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 1up6 h GLU 103 Cb 1.17 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.50 1up6 h GLU 103 CO 0.37 0.14 -0.56 0.25 -0.73 0.00 0.00 179.01 178.48 1up6 n THR 104 N -5.21 0.00 -4.11 0.32 -2.24 -1.26 -3.64 114.28 98.13 1up6 n THR 104 Ca 0.17 -0.21 -0.35 0.00 -2.27 0.00 0.00 64.05 61.40 1up6 n THR 104 Cb 0.54 0.71 -0.14 0.00 -2.10 0.00 0.00 70.33 69.34 1up6 n THR 104 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1up6 s THR 105 N -1.53 3.44 0.00 4.28 2.01 -1.24 -4.00 115.64 118.61 1up6 s THR 105 Ca 0.00 -0.48 0.00 0.00 0.31 0.00 0.00 61.69 61.52 1up6 s THR 105 Cb 0.00 -2.54 0.00 0.00 0.01 0.00 0.00 72.50 69.97 1up6 s THR 105 CO 0.00 0.45 0.00 0.61 -0.69 0.00 0.00 174.62 174.99 1up6 n GLY 106 N 4.40 0.01 0.32 4.40 0.00 -1.26 -4.22 105.19 108.84 1up6 n GLY 106 Ca -0.18 -1.10 -0.00 0.00 0.00 0.00 0.00 46.02 44.74 1up6 n GLY 106 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1up6 h VAL 107 N 0.00 1.19 -0.61 1.61 2.07 -1.81 -0.66 116.25 118.04 1up6 h VAL 107 Ca 0.00 -0.51 0.09 0.00 0.82 0.00 0.00 66.70 67.10 1up6 h VAL 107 Cb 0.00 0.38 -0.07 0.00 -1.52 0.00 0.00 31.29 30.07 1up6 h VAL 107 CO 0.00 0.22 0.23 1.23 0.02 0.00 0.00 177.57 179.27 1up6 h GLY 108 N 0.94 0.85 1.85 2.17 0.00 -1.70 -1.43 103.07 105.75 1up6 h GLY 108 Ca 0.22 -0.12 -0.06 0.00 0.00 0.00 0.00 47.33 47.37 1up6 h GLY 108 CO -0.03 -0.02 -0.19 -1.33 0.00 0.00 0.00 176.54 174.97 1up6 h GLY 109 N 0.41 0.20 0.67 4.60 0.00 -1.21 -1.20 103.07 106.54 1up6 h GLY 109 Ca 0.31 -0.13 -0.00 0.00 0.00 0.00 0.00 47.33 47.50 1up6 h GLY 109 CO -0.30 0.12 -0.03 -2.75 0.00 0.00 0.00 176.54 173.58 1up6 h PHE 110 N 0.17 -0.07 -0.32 5.60 3.57 -0.61 0.01 116.94 125.29 1up6 h PHE 110 Ca 0.03 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.43 1up6 h PHE 110 Cb 0.45 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.20 1up6 h PHE 110 CO 0.01 0.26 -0.20 0.66 -2.23 0.00 0.00 178.31 176.80 1up6 h SER 111 N -0.41 0.60 -0.90 0.41 4.64 -1.21 -2.06 113.55 114.63 1up6 h SER 111 Ca -0.01 -0.20 0.02 0.00 -0.47 0.00 0.00 61.79 61.14 1up6 h SER 111 Cb 0.36 -0.16 -0.05 0.00 -0.31 0.00 0.00 62.40 62.24 1up6 h SER 111 CO 0.01 0.81 0.59 0.00 -0.87 0.00 0.00 176.83 177.37 1up6 h ALA 112 N 1.24 1.17 -0.50 5.18 0.00 -1.18 -2.32 119.26 122.85 1up6 h ALA 112 Ca 0.08 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1up6 h ALA 112 Cb 0.65 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1up6 h ALA 112 CO 0.05 0.48 0.17 0.00 0.00 0.00 0.00 179.25 179.95 1up6 h ALA 113 N 1.35 0.65 -0.53 0.00 0.00 -0.68 -2.03 119.26 118.02 1up6 h ALA 113 Ca 0.35 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1up6 h ALA 113 Cb -0.06 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 1up6 h ALA 113 CO -0.10 0.30 0.31 -0.07 0.00 0.00 0.00 179.25 179.69 1up6 h LEU 114 N 0.68 0.64 -0.65 0.00 3.38 -1.18 -1.49 115.31 116.68 1up6 h LEU 114 Ca 0.16 -0.04 -0.14 0.00 0.09 0.00 0.00 57.88 57.96 1up6 h LEU 114 Cb 0.26 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1up6 h LEU 114 CO -0.01 0.50 -0.48 -0.09 0.09 0.00 0.00 178.44 178.46 1up6 h ARG 115 N 0.73 0.48 0.12 1.13 2.43 -1.26 -3.36 114.38 114.65 1up6 h ARG 115 Ca 0.19 -0.27 -0.23 0.00 -0.81 0.00 0.00 59.98 58.87 1up6 h ARG 115 Cb -0.01 0.02 0.02 0.00 -0.42 0.00 0.00 29.97 29.58 1up6 h ARG 115 CO -0.03 0.85 -0.96 0.00 -1.51 0.00 0.00 179.97 178.32 1up6 h ALA 116 N 1.10 -0.04 -0.67 2.80 0.00 -0.73 -3.39 119.26 118.33 1up6 h ALA 116 Ca 0.02 -0.71 0.14 0.00 0.00 0.00 0.00 54.91 54.37 1up6 h ALA 116 Cb 0.98 0.10 -0.10 0.00 0.00 0.00 0.00 17.79 18.76 1up6 h ALA 116 CO 0.09 0.49 0.10 0.74 0.00 0.00 0.00 179.25 180.66 1up6 h PHE 117 N -0.08 0.13 -0.73 0.00 0.04 -1.44 0.28 116.94 115.13 1up6 h PHE 117 Ca -0.15 0.04 -0.05 0.00 2.80 0.00 0.00 57.97 60.61 1up6 h PHE 117 Cb 1.70 0.04 -0.03 0.00 2.20 0.00 0.00 35.95 39.87 1up6 h PHE 117 CO 0.16 -0.11 0.25 -1.35 -0.60 0.00 0.00 178.31 176.66 1up6 h PRO 118 N 0.20 1.12 -0.27 1.51 0.11 -1.77 -1.00 132.00 131.91 1up6 h PRO 118 Ca 0.36 -0.23 -0.07 0.00 0.11 0.00 0.00 66.00 66.18 1up6 h PRO 118 Cb 0.60 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.53 1up6 h PRO 118 CO -0.50 0.94 -0.11 0.82 -0.21 0.00 0.00 178.00 178.94 1up6 h ILE 119 N 1.07 1.29 -0.38 4.15 2.04 -1.51 -1.91 117.51 122.26 1up6 h ILE 119 Ca 0.24 -1.17 -0.12 0.00 1.00 0.00 0.00 64.86 64.81 1up6 h ILE 119 Cb 0.27 1.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 1up6 h ILE 119 CO -0.01 0.37 -0.25 -0.37 0.00 0.00 0.00 178.15 177.89 1up6 h VAL 120 N 0.28 1.27 -0.20 1.67 -1.51 -0.93 -0.27 116.25 116.56 1up6 h VAL 120 Ca 0.06 -1.38 0.06 0.00 -1.23 0.00 0.00 66.70 64.21 1up6 h VAL 120 Cb 0.61 1.25 -0.07 0.00 -2.13 0.00 0.00 31.29 30.95 1up6 h VAL 120 CO 0.03 0.46 -0.27 -0.08 -1.23 0.00 0.00 177.57 176.49 1up6 h GLU 121 N 0.67 -0.29 -0.65 5.19 4.81 -1.15 0.20 114.58 123.37 1up6 h GLU 121 Ca 0.09 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.35 1up6 h GLU 121 Cb 0.77 0.07 -0.04 0.00 0.63 0.00 0.00 28.75 30.18 1up6 h GLU 121 CO 0.06 -0.19 0.42 1.49 -0.73 0.00 0.00 179.01 180.06 1up6 h GLU 122 N -0.30 0.81 -0.19 1.92 4.81 -0.94 -2.38 114.58 118.31 1up6 h GLU 122 Ca 0.12 -0.05 -0.18 0.00 -0.13 0.00 0.00 59.36 59.12 1up6 h GLU 122 Cb 0.49 -0.18 0.01 0.00 0.63 0.00 0.00 28.75 29.69 1up6 h GLU 122 CO -0.37 0.54 -0.60 1.88 -0.73 0.00 0.00 179.01 179.73 1up6 h TYR 123 N 0.84 0.97 -0.41 0.92 0.05 -0.65 -2.39 116.97 116.30 1up6 h TYR 123 Ca 0.25 -0.39 -0.06 0.00 0.05 0.00 0.00 58.73 58.57 1up6 h TYR 123 Cb -0.05 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 37.51 1up6 h TYR 123 CO -0.04 1.20 0.01 0.28 -1.05 0.00 0.00 178.16 178.57 1up6 h VAL 124 N 0.46 1.26 -0.48 -2.88 2.07 -0.57 -1.40 116.25 114.72 1up6 h VAL 124 Ca -0.02 -1.00 0.09 0.00 0.82 0.00 0.00 66.70 66.59 1up6 h VAL 124 Cb 1.22 1.10 -0.08 0.00 -1.52 0.00 0.00 31.29 32.01 1up6 h VAL 124 CO 0.13 0.34 0.01 -0.78 0.02 0.00 0.00 177.57 177.29 1up6 h ASP 125 N 0.55 -0.18 -0.69 0.57 3.58 -1.41 0.48 116.42 119.31 1up6 h ASP 125 Ca 0.12 0.11 -0.08 0.00 0.42 0.00 0.00 57.03 57.60 1up6 h ASP 125 Cb 0.46 0.19 -0.03 0.00 1.72 0.00 0.00 39.33 41.68 1up6 h ASP 125 CO 0.02 -0.06 0.14 0.74 -2.88 0.00 0.00 179.24 177.20 1up6 h THR 126 N 0.13 1.26 -0.63 2.25 2.02 -1.21 -0.68 112.91 116.05 1up6 h THR 126 Ca 0.24 -1.02 -0.06 0.00 0.77 0.00 0.00 66.41 66.34 1up6 h THR 126 Cb 0.35 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 67.32 1up6 h THR 126 CO -0.39 0.39 0.17 0.58 0.37 0.00 0.00 175.52 176.63 1up6 h VAL 127 N 1.06 1.25 -0.27 3.16 2.07 -0.87 -2.53 116.25 120.12 1up6 h VAL 127 Ca 0.21 -0.90 -0.11 0.00 0.82 0.00 0.00 66.70 66.72 1up6 h VAL 127 Cb 0.42 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 1up6 h VAL 127 CO 0.01 0.34 -0.30 -0.09 0.02 0.00 0.00 177.57 177.55 1up6 h ARG 128 N 0.92 0.56 0.00 1.57 2.43 -0.58 0.63 114.38 119.92 1up6 h ARG 128 Ca 0.20 -0.24 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1up6 h ARG 128 Cb 0.34 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 1up6 h ARG 128 CO -0.00 0.80 0.00 1.63 -1.51 0.00 0.00 179.97 180.89 1up6 n LYS 129 N -4.09 0.20 0.00 0.20 5.02 -0.29 -4.43 118.16 114.77 1up6 n LYS 129 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 1up6 n LYS 129 Cb 0.45 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.96 1up6 n LYS 129 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1up6 n THR 130 N -1.40 0.00 0.27 -0.18 -2.24 -0.92 -4.96 114.28 104.85 1up6 n THR 130 Ca 0.10 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.01 1up6 n THR 130 Cb 0.29 0.00 0.22 0.00 -2.10 0.00 0.00 70.33 68.74 1up6 n THR 130 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1up6 h SER 131 N 0.00 0.00 -5.55 3.42 4.64 -1.58 -3.47 113.55 111.00 1up6 h SER 131 Ca 0.00 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.91 1up6 h SER 131 Cb 0.00 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.04 1up6 h SER 131 CO 0.00 0.00 -0.63 0.59 -0.87 0.00 0.00 176.83 175.92 1up6 n ASN 132 N -3.00 -4.41 -4.62 4.97 3.02 0.17 -4.95 115.26 106.44 1up6 n ASN 132 Ca 0.04 -0.50 -0.31 0.00 -0.03 0.00 0.00 54.58 53.79 1up6 n ASN 132 Cb 0.51 -3.59 0.18 0.00 -0.61 0.00 0.00 39.78 36.26 1up6 n ASN 132 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1up6 n ALA 133 N -3.86 -1.31 -2.68 5.41 0.00 -1.26 -4.98 120.51 111.83 1up6 n ALA 133 Ca -0.01 -0.67 -0.42 0.00 0.00 0.00 0.00 53.44 52.34 1up6 n ALA 133 Cb 0.55 -2.13 -0.03 0.00 0.00 0.00 0.00 19.45 17.84 1up6 n ALA 133 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1up6 s THR 134 N -2.58 4.78 -0.24 0.00 2.01 -0.90 -4.85 115.64 113.86 1up6 s THR 134 Ca 0.66 2.02 -0.12 0.00 0.31 0.00 0.00 61.69 64.56 1up6 s THR 134 Cb -0.23 -4.29 -0.05 0.00 0.01 0.00 0.00 72.50 67.94 1up6 s THR 134 CO 0.60 0.09 0.21 -0.63 -0.69 0.00 0.00 174.62 174.19 1up6 s ILE 135 N 1.49 5.32 -0.30 1.82 1.01 0.10 -1.40 121.20 129.25 1up6 s ILE 135 Ca 0.51 0.28 -0.09 0.00 0.00 0.00 0.00 60.65 61.35 1up6 s ILE 135 Cb -0.20 -3.55 -0.01 0.00 0.01 0.00 0.00 42.46 38.71 1up6 s ILE 135 CO 0.23 0.32 0.14 -0.69 0.00 0.00 0.00 174.94 174.94 1up6 s VAL 136 N 1.18 4.58 -0.21 2.92 1.01 -0.02 -0.11 120.40 129.76 1up6 s VAL 136 Ca 0.10 -0.35 -0.06 0.00 0.00 0.00 0.00 61.98 61.66 1up6 s VAL 136 Cb -0.14 -3.30 -0.03 0.00 0.00 0.00 0.00 36.38 32.91 1up6 s VAL 136 CO 0.06 0.12 0.03 0.21 0.00 0.00 0.00 175.10 175.52 1up6 s ASN 137 N 1.62 5.12 -0.04 3.32 2.47 0.02 -1.14 114.94 126.31 1up6 s ASN 137 Ca 0.05 -0.13 0.17 0.00 0.42 0.00 0.00 52.86 53.37 1up6 s ASN 137 Cb -0.17 -1.89 -0.26 0.00 -1.45 0.00 0.00 41.25 37.49 1up6 s ASN 137 CO 0.06 0.07 0.34 0.49 -3.72 0.00 0.00 177.10 174.34 1up6 n PHE 138 N 4.21 0.00 -1.59 0.43 3.72 0.56 -1.06 117.46 123.74 1up6 n PHE 138 Ca -0.17 0.00 -0.52 0.00 -0.05 0.00 0.00 57.45 56.72 1up6 n PHE 138 Cb 0.52 -0.43 -0.06 0.00 -0.94 0.00 0.00 39.48 38.57 1up6 n PHE 138 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1up6 n THR 139 N -2.14 0.04 -3.50 4.37 -1.04 -1.06 -4.70 114.28 106.25 1up6 n THR 139 Ca -0.05 -0.01 -0.34 0.00 -2.04 0.00 0.00 64.05 61.60 1up6 n THR 139 Cb 0.50 -0.85 -0.05 0.00 -1.82 0.00 0.00 70.33 68.11 1up6 n THR 139 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 1up6 s ASN 140 N 0.48 6.67 -0.25 8.00 0.01 -1.26 -3.03 114.94 125.56 1up6 s ASN 140 Ca 0.84 0.87 -0.25 0.00 -0.71 0.00 0.00 52.86 53.61 1up6 s ASN 140 Cb -0.94 -2.21 -0.00 0.00 0.41 0.00 0.00 41.25 38.51 1up6 s ASN 140 CO 0.47 0.11 0.85 -2.16 -1.51 0.00 0.00 177.10 174.85 1up6 s PRO 141 N -2.12 4.16 0.07 -0.60 0.04 -1.26 -4.77 135.00 130.52 1up6 s PRO 141 Ca 0.37 0.93 -0.17 0.00 0.04 0.00 0.00 61.00 62.18 1up6 s PRO 141 Cb -0.14 -3.66 -0.14 0.00 0.04 0.00 0.00 34.50 30.61 1up6 s PRO 141 CO 0.19 -0.56 1.32 1.03 0.04 0.00 0.00 177.00 179.02 1up6 h SER 142 N 7.73 0.67 -0.55 6.66 0.87 -1.82 -1.02 113.55 126.09 1up6 h SER 142 Ca -0.23 -0.56 -0.09 0.00 -1.23 0.00 0.00 61.79 59.68 1up6 h SER 142 Cb 1.09 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.84 1up6 h SER 142 CO 0.89 1.11 0.01 1.23 -0.53 0.00 0.00 176.83 179.54 1up6 h GLY 143 N 0.26 1.05 0.96 5.77 0.00 -1.89 -1.56 103.07 107.66 1up6 h GLY 143 Ca 0.00 -0.76 -0.06 0.00 0.00 0.00 0.00 47.33 46.51 1up6 h GLY 143 CO 0.09 0.70 0.03 0.84 0.00 0.00 0.00 176.54 178.21 1up6 h HIS 144 N 0.85 0.80 -0.77 5.60 6.17 -1.89 -1.15 115.15 124.76 1up6 h HIS 144 Ca 0.16 -0.13 -0.03 0.00 0.71 0.00 0.00 60.37 61.08 1up6 h HIS 144 Cb 0.52 -0.21 -0.04 0.00 2.52 0.00 0.00 27.41 30.20 1up6 h HIS 144 CO 0.04 0.78 0.35 0.82 0.71 0.00 0.00 177.93 180.63 1up6 h ILE 145 N 0.59 1.25 -0.45 6.26 2.04 -1.14 -1.44 117.51 124.62 1up6 h ILE 145 Ca 0.13 -0.72 -0.02 0.00 1.00 0.00 0.00 64.86 65.24 1up6 h ILE 145 Cb 0.44 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 1up6 h ILE 145 CO 0.02 0.30 0.19 0.74 0.00 0.00 0.00 178.15 179.40 1up6 h THR 146 N 1.11 1.20 -0.45 -0.27 2.02 -0.95 0.56 112.91 116.11 1up6 h THR 146 Ca 0.26 -0.61 0.06 0.00 0.77 0.00 0.00 66.41 66.90 1up6 h THR 146 Cb 0.14 0.76 -0.06 0.00 -1.74 0.00 0.00 68.15 67.26 1up6 h THR 146 CO -0.03 0.23 0.14 -0.08 0.37 0.00 0.00 175.52 176.14 1up6 h GLU 147 N 0.59 0.28 -0.07 6.66 4.57 -0.91 0.80 114.58 126.50 1up6 h GLU 147 Ca 0.15 -0.02 0.01 0.00 -1.18 0.00 0.00 59.36 58.33 1up6 h GLU 147 Cb 0.18 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.69 1up6 h GLU 147 CO -0.01 0.19 -0.01 0.35 -1.18 0.00 0.00 179.01 178.35 1up6 h PHE 148 N 0.29 -0.02 -0.16 0.92 3.57 -0.69 -1.77 116.94 119.09 1up6 h PHE 148 Ca 0.22 0.01 -0.22 0.00 3.53 0.00 0.00 57.97 61.50 1up6 h PHE 148 Cb 0.24 0.02 0.01 0.00 2.79 0.00 0.00 35.95 39.01 1up6 h PHE 148 CO -0.18 -0.02 -0.77 0.28 -2.23 0.00 0.00 178.31 175.40 1up6 h VAL 149 N 0.01 1.27 -0.17 1.41 2.07 -0.60 -1.36 116.25 118.89 1up6 h VAL 149 Ca 0.03 -1.96 -0.20 0.00 0.82 0.00 0.00 66.70 65.39 1up6 h VAL 149 Cb 0.04 1.96 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 1up6 h VAL 149 CO -0.06 0.62 -0.70 0.03 0.02 0.00 0.00 177.57 177.48 1up6 h ARG 150 N 0.55 0.71 -0.01 1.57 2.47 -0.84 0.11 114.38 118.94 1up6 h ARG 150 Ca -0.05 -0.54 0.00 0.00 -1.26 0.00 0.00 59.98 58.13 1up6 h ARG 150 Cb 1.40 0.10 0.00 0.00 -1.65 0.00 0.00 29.97 29.82 1up6 h ARG 150 CO 0.16 1.15 -0.29 0.09 0.56 0.00 0.00 179.97 181.64 1up6 n ASN 151 N -3.93 1.55 0.02 7.04 3.02 -0.67 -4.03 115.26 118.26 1up6 n ASN 151 Ca -0.06 -1.28 0.00 0.00 -0.03 0.00 0.00 54.58 53.22 1up6 n ASN 151 Cb 0.70 0.45 0.00 0.00 -0.61 0.00 0.00 39.78 40.32 1up6 n ASN 151 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1up6 n TYR 152 N -0.11 -0.16 0.17 3.10 4.02 -0.55 -4.72 117.16 118.91 1up6 n TYR 152 Ca 0.06 0.03 0.04 0.00 -0.01 0.00 0.00 57.90 58.02 1up6 n TYR 152 Cb 0.31 0.12 0.21 0.00 -0.02 0.00 0.00 39.34 39.96 1up6 n TYR 152 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 1up6 h LEU 153 N 0.00 0.00 -1.56 7.72 3.38 -1.48 -3.48 115.31 119.89 1up6 h LEU 153 Ca 0.00 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.67 1up6 h LEU 153 Cb 0.57 0.00 0.14 0.00 0.09 0.00 0.00 40.66 41.46 1up6 h LEU 153 CO 0.00 0.44 -0.66 1.21 0.09 0.00 0.00 178.44 179.53 1up6 n GLU 154 N -3.41 -5.96 -3.67 1.13 4.07 0.32 -4.99 120.64 108.12 1up6 n GLU 154 Ca 0.01 0.74 -0.38 0.00 -0.06 0.00 0.00 57.16 57.46 1up6 n GLU 154 Cb 0.60 -5.43 -0.12 0.00 -0.06 0.00 0.00 31.44 26.43 1up6 n GLU 154 CO 0.00 0.00 0.00 -0.47 -0.06 0.00 0.00 177.13 176.60 1up6 s TYR 155 N -3.31 3.18 0.12 4.31 5.04 -0.77 -5.01 117.35 120.91 1up6 s TYR 155 Ca 0.09 -0.72 -0.13 0.00 -2.44 0.00 0.00 57.07 53.87 1up6 s TYR 155 Cb -0.04 -2.34 -0.05 0.00 0.35 0.00 0.00 41.96 39.88 1up6 s TYR 155 CO 0.63 -0.51 1.47 1.49 -1.34 0.00 0.00 175.55 177.30 1up6 h GLU 156 N 8.33 0.80 -2.39 4.97 4.81 -1.90 -3.33 114.58 125.88 1up6 h GLU 156 Ca -0.31 -0.39 -0.55 0.00 -0.13 0.00 0.00 59.36 57.98 1up6 h GLU 156 Cb 1.14 -0.00 -0.10 0.00 0.63 0.00 0.00 28.75 30.41 1up6 h GLU 156 CO 0.62 1.02 1.54 1.63 -0.73 0.00 0.00 179.01 183.09 1up6 n LYS 157 N -4.22 3.27 -4.01 1.92 5.02 -1.26 -4.78 118.16 114.10 1up6 n LYS 157 Ca -0.03 -2.41 -0.31 0.00 -2.02 0.00 0.00 58.31 53.55 1up6 n LYS 157 Cb 0.46 -2.40 -0.15 0.00 -0.02 0.00 0.00 35.03 32.93 1up6 n LYS 157 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 1up6 s PHE 158 N -0.26 2.82 -0.22 2.13 2.19 -1.25 0.03 117.98 123.42 1up6 s PHE 158 Ca 0.61 -1.99 -0.02 0.00 0.33 0.00 0.00 56.93 55.86 1up6 s PHE 158 Cb 0.27 -1.76 0.01 0.00 -1.31 0.00 0.00 43.02 40.22 1up6 s PHE 158 CO -0.11 -0.82 -0.09 0.42 1.83 0.00 0.00 175.22 176.45 1up6 s ILE 159 N 1.26 2.90 -0.01 3.12 1.01 0.84 -4.93 121.20 125.40 1up6 s ILE 159 Ca -0.06 -0.75 -0.30 0.00 0.00 0.00 0.00 60.65 59.54 1up6 s ILE 159 Cb -0.19 -2.34 -0.03 0.00 0.01 0.00 0.00 42.46 39.91 1up6 s ILE 159 CO -0.06 0.39 0.97 -0.83 0.00 0.00 0.00 174.94 175.41 1up6 s GLY 160 N 1.39 2.89 0.32 6.18 0.00 -1.12 -0.80 107.32 116.18 1up6 s GLY 160 Ca 0.04 0.52 0.11 0.00 0.00 0.00 0.00 44.72 45.38 1up6 s GLY 160 CO -0.06 1.67 -0.14 -2.27 0.00 0.00 0.00 173.10 172.30 1up6 s LEU 161 N 1.02 2.68 0.15 0.66 2.96 -0.22 -0.01 118.68 125.92 1up6 s LEU 161 Ca 0.51 -1.11 -0.17 0.00 -0.22 0.00 0.00 54.13 53.14 1up6 s LEU 161 Cb -0.21 -1.06 0.03 0.00 0.50 0.00 0.00 46.19 45.46 1up6 s LEU 161 CO 0.27 -0.09 0.45 0.00 -1.32 0.00 0.00 176.35 175.66 1up6 n ASN 163 N -0.27 0.75 -0.06 0.00 2.04 -1.26 -4.49 115.26 111.97 1up6 n ASN 163 Ca -0.14 -0.55 -0.13 0.00 -0.44 0.00 0.00 54.58 53.32 1up6 n ASN 163 Cb 0.63 0.23 -0.01 0.00 -2.53 0.00 0.00 39.78 38.10 1up6 n ASN 163 CO 0.00 0.00 0.00 -0.37 -0.44 0.00 0.00 177.26 176.45 1up6 h VAL 164 N 0.53 1.29 0.05 3.53 -1.51 -1.98 -1.55 116.25 116.61 1up6 h VAL 164 Ca 0.00 -1.73 0.02 0.00 -1.23 0.00 0.00 66.70 63.75 1up6 h VAL 164 Cb 0.51 1.64 -0.02 0.00 -2.13 0.00 0.00 31.29 31.28 1up6 h VAL 164 CO 0.00 0.56 -0.14 -0.65 -1.23 0.00 0.00 177.57 176.11 1up6 h PRO 165 N 0.62 -0.26 -0.56 5.19 0.11 -1.94 -0.87 132.00 134.28 1up6 h PRO 165 Ca 0.02 0.02 -0.06 0.00 0.11 0.00 0.00 66.00 66.09 1up6 h PRO 165 Cb 1.12 0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 1up6 h PRO 165 CO 0.12 -0.17 0.13 0.97 -0.21 0.00 0.00 178.00 178.83 1up6 h ILE 166 N -0.27 1.23 -0.72 4.15 6.09 -1.81 -1.04 117.51 125.15 1up6 h ILE 166 Ca 0.03 -0.86 -0.05 0.00 -1.37 0.00 0.00 64.86 62.62 1up6 h ILE 166 Cb 0.30 0.67 -0.03 0.00 0.47 0.00 0.00 36.82 38.23 1up6 h ILE 166 CO -0.11 0.32 0.25 0.78 -3.07 0.00 0.00 178.15 176.33 1up6 h ASN 167 N 0.84 1.02 -0.21 2.19 2.35 -1.16 -1.35 115.58 119.26 1up6 h ASN 167 Ca 0.18 -0.19 -0.05 0.00 -0.55 0.00 0.00 56.30 55.69 1up6 h ASN 167 Cb 0.32 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 1up6 h ASN 167 CO 0.00 0.94 -0.06 0.15 -1.65 0.00 0.00 177.43 176.81 1up6 h PHE 168 N 1.04 0.46 -0.76 1.19 3.57 -0.52 -1.68 116.94 120.25 1up6 h PHE 168 Ca 0.23 -0.10 0.05 0.00 3.53 0.00 0.00 57.97 61.69 1up6 h PHE 168 Cb 0.26 -0.11 -0.06 0.00 2.79 0.00 0.00 35.95 38.84 1up6 h PHE 168 CO 0.02 0.66 0.46 0.82 -2.23 0.00 0.00 178.31 178.04 1up6 h ILE 169 N 0.13 1.03 -0.49 1.41 2.04 -1.19 -2.12 117.51 118.32 1up6 h ILE 169 Ca 0.05 -0.29 0.07 0.00 1.00 0.00 0.00 64.86 65.69 1up6 h ILE 169 Cb 0.51 0.10 -0.06 0.00 -0.74 0.00 0.00 36.82 36.64 1up6 h ILE 169 CO 0.02 0.16 0.16 -0.09 0.00 0.00 0.00 178.15 178.40 1up6 h ARG 170 N 0.85 0.32 -0.00 2.37 2.43 -1.08 -0.82 114.38 118.44 1up6 h ARG 170 Ca 0.33 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.51 1up6 h ARG 170 Cb 0.15 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.58 1up6 h ARG 170 CO -0.16 0.21 -0.24 0.93 -1.51 0.00 0.00 179.97 179.20 1up6 h GLU 171 N 0.33 -0.36 -0.65 0.20 5.08 -0.68 -2.20 114.58 116.29 1up6 h GLU 171 Ca 0.23 0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.55 1up6 h GLU 171 Cb 0.26 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 1up6 h GLU 171 CO -0.25 -0.24 0.14 0.82 -1.00 0.00 0.00 179.01 178.48 1up6 h ILE 172 N -0.37 1.26 0.13 3.13 1.08 -1.08 -3.01 117.51 118.65 1up6 h ILE 172 Ca 0.06 -0.97 0.02 0.00 -0.39 0.00 0.00 64.86 63.58 1up6 h ILE 172 Cb 0.45 0.63 -0.03 0.00 -3.07 0.00 0.00 36.82 34.80 1up6 h ILE 172 CO -0.21 0.37 -0.25 0.00 -0.69 0.00 0.00 178.15 177.36 1up6 h ALA 173 N 1.06 -0.43 0.00 1.87 0.00 -1.00 -1.44 119.26 119.31 1up6 h ALA 173 Ca 0.20 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1up6 h ALA 173 Cb 0.39 0.40 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 1up6 h ALA 173 CO 0.01 -0.79 0.04 -0.85 0.00 0.00 0.00 179.25 177.66 1up6 n GLU 174 N -5.37 0.34 0.00 0.00 0.28 -0.84 0.74 120.64 115.79 1up6 n GLU 174 Ca -0.07 -0.05 0.00 0.00 -0.16 0.00 0.00 57.16 56.88 1up6 n GLU 174 Cb 0.28 -1.41 0.00 0.00 1.43 0.00 0.00 31.44 31.74 1up6 n GLU 174 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 1up6 n PHE 176 N 2.03 0.00 -3.47 -1.84 3.72 -0.54 -4.81 117.46 112.56 1up6 n PHE 176 Ca 0.02 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.23 1up6 n PHE 176 Cb 0.17 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 38.77 1up6 n PHE 176 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1up6 n SER 177 N 0.00 -3.85 -4.32 4.37 7.64 0.23 -5.02 113.62 112.66 1up6 n SER 177 Ca 0.00 -0.75 -0.18 0.00 1.01 0.00 0.00 58.87 58.95 1up6 n SER 177 Cb 0.00 -4.66 -0.10 0.00 -1.01 0.00 0.00 64.21 58.43 1up6 n SER 177 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1up6 s ALA 178 N -3.46 1.93 0.68 -0.43 0.00 -0.43 -5.13 121.76 114.92 1up6 s ALA 178 Ca 0.22 -1.89 -0.11 0.00 0.00 0.00 0.00 51.96 50.19 1up6 s ALA 178 Cb -0.04 0.96 0.00 0.00 0.00 0.00 0.00 23.12 24.03 1up6 s ALA 178 CO 0.77 -0.42 1.06 1.03 0.00 0.00 0.00 175.76 178.20 1up6 s ARG 179 N -3.98 3.02 0.14 0.00 0.52 -1.26 -4.47 118.95 112.93 1up6 s ARG 179 Ca 0.37 0.48 -0.20 0.00 -0.52 0.00 0.00 55.73 55.85 1up6 s ARG 179 Cb 0.08 -2.06 0.01 0.00 0.52 0.00 0.00 34.95 33.50 1up6 s ARG 179 CO 0.14 -0.90 1.67 -0.07 0.02 0.00 0.00 175.30 176.16 1up6 h LEU 180 N -0.54 -0.43 0.00 2.53 3.38 -1.96 -2.28 115.31 116.00 1up6 h LEU 180 Ca -0.45 0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1up6 h LEU 180 Cb 1.24 0.23 0.00 0.00 0.09 0.00 0.00 40.66 42.22 1up6 h LEU 180 CO 0.63 -0.17 0.00 -1.84 0.09 0.00 0.00 178.44 177.15 1up6 n GLU 181 N -5.29 0.11 0.12 1.13 0.28 -1.26 -1.69 120.64 114.05 1up6 n GLU 181 Ca -0.01 0.17 0.13 0.00 -0.16 0.00 0.00 57.16 57.29 1up6 n GLU 181 Cb 0.21 -1.50 0.45 0.00 1.43 0.00 0.00 31.44 32.03 1up6 n GLU 181 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1up6 n ASP 182 N -1.40 0.76 -4.69 -1.84 9.92 -0.86 -4.76 116.55 113.68 1up6 n ASP 182 Ca 0.06 0.63 -0.37 0.00 -0.53 0.00 0.00 54.79 54.58 1up6 n ASP 182 Cb 0.16 -0.81 -0.08 0.00 -0.64 0.00 0.00 41.12 39.75 1up6 n ASP 182 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1up6 s VAL 183 N -3.22 5.31 -0.06 2.53 1.01 -0.68 -0.72 120.40 124.57 1up6 s VAL 183 Ca 0.07 0.42 0.02 0.00 0.00 0.00 0.00 61.98 62.49 1up6 s VAL 183 Cb 0.11 -3.59 0.02 0.00 0.00 0.00 0.00 36.38 32.91 1up6 s VAL 183 CO 0.49 0.35 -0.09 0.12 0.00 0.00 0.00 175.10 175.97 1up6 s PHE 184 N 0.86 1.20 0.07 5.22 2.19 -0.13 -5.01 117.98 122.37 1up6 s PHE 184 Ca 0.13 -0.42 0.09 0.00 0.33 0.00 0.00 56.93 57.06 1up6 s PHE 184 Cb -0.13 -0.92 -0.03 0.00 -1.31 0.00 0.00 43.02 40.63 1up6 s PHE 184 CO 0.04 -0.25 -0.24 -0.51 1.83 0.00 0.00 175.22 176.10 1up6 s LEU 185 N 0.75 2.21 -0.39 6.12 1.02 -1.26 -0.43 118.68 126.70 1up6 s LEU 185 Ca -0.13 -0.61 -0.19 0.00 0.02 0.00 0.00 54.13 53.22 1up6 s LEU 185 Cb -0.15 -1.11 0.01 0.00 0.02 0.00 0.00 46.19 44.96 1up6 s LEU 185 CO 0.02 0.18 0.57 -0.75 0.02 0.00 0.00 176.35 176.40 1up6 s LYS 186 N -1.45 3.46 -0.05 1.70 2.20 -0.35 -4.93 119.74 120.32 1up6 s LYS 186 Ca 0.10 -0.26 -0.03 0.00 -0.36 0.00 0.00 55.97 55.42 1up6 s LYS 186 Cb -0.10 -3.88 0.03 0.00 -1.51 0.00 0.00 37.83 32.38 1up6 s LYS 186 CO 0.03 -0.81 0.12 -0.47 -0.36 0.00 0.00 175.35 173.86 1up6 s TYR 187 N 2.58 -0.13 -0.03 4.03 6.14 -1.26 -0.89 117.35 127.79 1up6 s TYR 187 Ca 0.20 0.37 -0.29 0.00 0.64 0.00 0.00 57.07 57.99 1up6 s TYR 187 Cb -0.15 -0.05 0.10 0.00 0.42 0.00 0.00 41.96 42.28 1up6 s TYR 187 CO 0.16 -0.11 0.87 1.52 0.64 0.00 0.00 175.55 178.62 1up6 s TYR 188 N 0.71 -0.41 -5.00 4.97 1.13 -0.60 -4.36 117.35 113.78 1up6 s TYR 188 Ca -0.05 0.43 0.00 0.00 -1.41 0.00 0.00 57.07 56.04 1up6 s TYR 188 Cb -0.07 0.50 0.00 0.00 -1.10 0.00 0.00 41.96 41.29 1up6 s TYR 188 CO -0.03 -0.53 0.00 0.41 -2.51 0.00 0.00 175.55 172.89 1up6 n GLY 189 N 0.12 0.33 3.74 5.49 0.00 -1.23 -0.84 105.19 112.80 1up6 n GLY 189 Ca -0.11 -1.39 -0.24 0.00 0.00 0.00 0.00 46.02 44.28 1up6 n GLY 189 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1up6 s LEU 190 N 0.00 3.55 0.13 0.99 1.02 -0.53 -0.76 118.68 123.07 1up6 s LEU 190 Ca 0.00 -0.36 -0.34 0.00 0.02 0.00 0.00 54.13 53.45 1up6 s LEU 190 Cb 0.00 -2.12 -0.14 0.00 0.02 0.00 0.00 46.19 43.95 1up6 s LEU 190 CO 0.00 0.02 1.61 -3.20 0.02 0.00 0.00 176.35 174.81 1up6 n ASN 191 N -0.70 3.11 -0.82 2.29 4.05 -1.26 -0.24 115.26 121.69 1up6 n ASN 191 Ca -0.08 1.07 -0.11 0.00 0.45 0.00 0.00 54.58 55.91 1up6 n ASN 191 Cb 0.57 -1.41 -0.05 0.00 1.23 0.00 0.00 39.78 40.12 1up6 n ASN 191 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 177.26 175.62 1up6 n HIS 192 N 3.84 0.00 -2.74 1.20 8.25 -1.26 -4.85 115.22 119.67 1up6 n HIS 192 Ca 0.18 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.55 1up6 n HIS 192 Cb 0.29 -2.16 0.08 0.00 1.12 0.00 0.00 29.99 29.31 1up6 n HIS 192 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1up6 n LEU 193 N -1.21 -0.95 -4.60 2.41 -0.00 0.67 -4.49 117.00 108.83 1up6 n LEU 193 Ca -0.11 -3.69 -0.24 0.00 -0.00 0.00 0.00 56.01 51.97 1up6 n LEU 193 Cb 0.41 0.33 -0.09 0.00 -0.00 0.00 0.00 43.42 44.08 1up6 n LEU 193 CO 0.16 1.88 -0.34 -0.94 -0.00 0.00 0.00 177.39 178.16 1up6 s SER 194 N -1.78 4.10 -0.04 1.96 1.04 -1.17 -1.46 113.70 116.36 1up6 s SER 194 Ca 0.25 -0.97 -0.03 0.00 0.48 0.00 0.00 55.95 55.68 1up6 s SER 194 Cb 0.39 -0.52 0.02 0.00 0.10 0.00 0.00 66.02 66.00 1up6 s SER 194 CO -0.05 -0.17 0.09 -0.36 0.98 0.00 0.00 173.24 173.73 1up6 s PHE 195 N -2.50 -0.09 -0.14 5.02 0.40 -0.02 -1.77 117.98 118.87 1up6 s PHE 195 Ca 0.34 0.26 -0.01 0.00 -0.60 0.00 0.00 56.93 56.92 1up6 s PHE 195 Cb -0.01 -0.02 -0.02 0.00 0.51 0.00 0.00 43.02 43.48 1up6 s PHE 195 CO 0.19 -0.07 -0.10 0.42 0.70 0.00 0.00 175.22 176.35 1up6 s ILE 196 N 0.36 3.27 -0.12 0.64 1.01 0.35 -1.56 121.20 125.15 1up6 s ILE 196 Ca -0.03 -0.58 0.09 0.00 0.00 0.00 0.00 60.65 60.14 1up6 s ILE 196 Cb -0.04 -2.40 -0.14 0.00 0.01 0.00 0.00 42.46 39.89 1up6 s ILE 196 CO -0.01 0.51 0.02 1.21 0.00 0.00 0.00 174.94 176.66 1up6 n GLU 197 N 3.64 1.81 -3.87 2.79 2.13 -0.07 -1.18 120.64 125.90 1up6 n GLU 197 Ca -0.18 0.01 -0.12 0.00 0.66 0.00 0.00 57.16 57.53 1up6 n GLU 197 Cb 0.52 -1.31 -0.13 0.00 0.27 0.00 0.00 31.44 30.80 1up6 n GLU 197 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1up6 s LYS 198 N -2.29 0.14 -0.12 5.31 3.01 -1.22 -4.97 119.74 119.59 1up6 s LYS 198 Ca -0.08 -0.03 0.01 0.00 -1.01 0.00 0.00 55.97 54.86 1up6 s LYS 198 Cb 0.04 0.06 0.02 0.00 -1.01 0.00 0.00 37.83 36.93 1up6 s LYS 198 CO 0.48 -0.02 -0.14 0.08 0.51 0.00 0.00 175.35 176.25 1up6 s VAL 199 N -0.25 1.47 -0.02 3.17 1.01 -1.26 -1.21 120.40 123.30 1up6 s VAL 199 Ca -0.03 -0.60 0.07 0.00 0.00 0.00 0.00 61.98 61.41 1up6 s VAL 199 Cb -0.02 -1.37 -0.02 0.00 0.00 0.00 0.00 36.38 34.97 1up6 s VAL 199 CO 0.00 0.44 -0.22 -0.36 0.00 0.00 0.00 175.10 174.96 1up6 s PHE 200 N 1.23 2.47 -0.12 5.22 0.08 0.42 -0.98 117.98 126.31 1up6 s PHE 200 Ca -0.01 -0.33 -0.01 0.00 0.12 0.00 0.00 56.93 56.70 1up6 s PHE 200 Cb -0.14 -1.53 0.03 0.00 -0.57 0.00 0.00 43.02 40.81 1up6 s PHE 200 CO -0.05 0.07 -0.05 0.08 -0.10 0.00 0.00 175.22 175.16 1up6 s VAL 201 N -0.69 0.86 -1.43 -0.44 1.01 -0.02 -0.96 120.40 118.74 1up6 s VAL 201 Ca 0.11 -0.26 -0.07 0.00 0.00 0.00 0.00 61.98 61.76 1up6 s VAL 201 Cb -0.10 -0.96 0.04 0.00 0.00 0.00 0.00 36.38 35.36 1up6 s VAL 201 CO 0.00 0.28 0.60 0.29 0.00 0.00 0.00 175.10 176.27 1up6 n LYS 202 N 4.99 -4.39 0.00 2.72 5.02 0.10 -1.80 118.16 124.80 1up6 n LYS 202 Ca -0.11 0.70 0.00 0.00 -2.02 0.00 0.00 58.31 56.88 1up6 n LYS 202 Cb 0.50 -5.50 0.00 0.00 -0.02 0.00 0.00 35.03 30.00 1up6 n LYS 202 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1up6 n GLY 203 N -1.40 3.03 3.74 0.72 0.00 -1.26 -5.02 105.19 105.00 1up6 n GLY 203 Ca -0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 1up6 n GLY 203 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1up6 s GLU 204 N -0.28 4.64 -0.52 1.61 2.12 -0.75 -4.99 118.70 120.54 1up6 s GLU 204 Ca 0.00 1.62 -0.28 0.00 0.36 0.00 0.00 54.97 56.67 1up6 s GLU 204 Cb 0.00 -3.31 0.02 0.00 0.26 0.00 0.00 34.13 31.10 1up6 s GLU 204 CO 0.00 0.15 1.34 0.34 -0.54 0.00 0.00 175.26 176.55 1up6 s ASP 205 N -0.15 6.29 -0.17 -1.70 -1.08 -1.26 -0.84 116.67 117.76 1up6 s ASP 205 Ca 0.48 0.41 0.17 0.00 -0.52 0.00 0.00 52.55 53.09 1up6 s ASP 205 Cb -0.27 -2.55 0.43 0.00 -1.46 0.00 0.00 42.92 39.07 1up6 s ASP 205 CO 0.33 -1.55 1.31 1.33 0.52 0.00 0.00 175.17 177.11 1up6 n VAL 206 N 6.89 2.14 -0.05 1.11 0.24 -0.15 -4.78 118.33 123.73 1up6 n VAL 206 Ca 0.13 -2.15 -0.08 0.00 -2.04 0.00 0.00 64.34 60.20 1up6 n VAL 206 Cb 0.49 -0.25 -0.01 0.00 -1.47 0.00 0.00 33.84 32.59 1up6 n VAL 206 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 1up6 h THR 207 N 0.98 0.60 -0.65 3.34 2.02 -1.89 -0.65 112.91 116.65 1up6 h THR 207 Ca 0.02 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.33 1up6 h THR 207 Cb 1.26 0.60 -0.10 0.00 -1.74 0.00 0.00 68.15 68.17 1up6 h THR 207 CO 0.14 0.00 0.10 -0.33 0.37 0.00 0.00 175.52 175.80 1up6 h GLU 208 N -0.11 0.21 -0.15 6.66 4.39 -1.93 -1.60 114.58 122.05 1up6 h GLU 208 Ca 0.13 -0.01 -0.08 0.00 0.34 0.00 0.00 59.36 59.74 1up6 h GLU 208 Cb 0.31 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 1up6 h GLU 208 CO -0.31 0.14 -0.26 0.87 -1.16 0.00 0.00 179.01 178.29 1up6 h LYS 209 N 0.22 0.27 -0.11 2.33 1.57 -1.53 -1.04 116.57 118.28 1up6 h LYS 209 Ca 0.35 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 59.02 1up6 h LYS 209 Cb 0.57 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.85 1up6 h LYS 209 CO -0.48 0.52 -0.01 0.28 -0.57 0.00 0.00 179.45 179.18 1up6 h VAL 210 N 0.24 1.27 -0.14 0.50 2.07 -0.35 -1.58 116.25 118.27 1up6 h VAL 210 Ca 0.04 -0.89 0.03 0.00 0.82 0.00 0.00 66.70 66.70 1up6 h VAL 210 Cb 0.60 1.65 -0.03 0.00 -1.52 0.00 0.00 31.29 31.98 1up6 h VAL 210 CO 0.04 0.25 -0.07 -0.26 0.02 0.00 0.00 177.57 177.55 1up6 h PHE 211 N -0.10 -0.17 -0.51 1.57 0.04 -1.11 -1.24 116.94 115.42 1up6 h PHE 211 Ca 0.03 0.02 0.10 0.00 2.80 0.00 0.00 57.97 60.92 1up6 h PHE 211 Cb 0.40 0.10 -0.09 0.00 2.20 0.00 0.00 35.95 38.56 1up6 h PHE 211 CO 0.04 -0.12 -0.04 0.93 -0.60 0.00 0.00 178.31 178.53 1up6 h GLU 212 N -0.06 0.07 0.00 1.51 5.08 -1.18 -2.53 114.58 117.46 1up6 h GLU 212 Ca 0.08 -0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.34 1up6 h GLU 212 Cb 0.18 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1up6 h GLU 212 CO -0.18 0.05 -0.43 -0.91 -1.00 0.00 0.00 179.01 176.54 1up6 h ASN 213 N 0.08 0.00 0.31 1.42 2.35 -0.89 -2.81 115.58 116.03 1up6 h ASN 213 Ca 0.26 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.00 1up6 h ASN 213 Cb 0.39 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.76 1up6 h ASN 213 CO -0.46 0.43 -0.04 -0.07 -1.65 0.00 0.00 177.43 175.64 1up6 h LEU 214 N 0.00 0.00 0.11 1.61 4.07 -0.78 -3.24 115.31 117.08 1up6 h LEU 214 Ca -0.00 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 1up6 h LEU 214 Cb 0.84 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.58 1up6 h LEU 214 CO 0.06 0.04 -0.05 0.50 -1.08 0.00 0.00 178.44 177.90 1up6 h LYS 215 N 0.00 -0.15 -5.22 1.13 1.63 -1.51 -3.51 116.57 108.95 1up6 h LYS 215 Ca -0.00 0.01 -0.22 0.00 -0.85 0.00 0.00 60.65 59.59 1up6 h LYS 215 Cb 0.21 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.86 1up6 h LYS 215 CO 0.01 -0.10 0.69 1.47 -3.45 0.00 0.00 179.45 178.07 1up6 n LEU 216 N -4.08 2.25 -1.15 5.20 -0.00 -1.23 -5.08 117.00 112.91 1up6 n LEU 216 Ca -0.02 -2.77 -0.06 0.00 -0.00 0.00 0.00 56.01 53.17 1up6 n LEU 216 Cb 0.06 -1.64 0.14 0.00 -0.00 0.00 0.00 43.42 41.98 1up6 n LEU 216 CO 0.05 -2.58 0.30 0.47 -0.00 0.00 0.00 177.39 175.63 1up6 n ASP 223 N 16.22 2.95 -1.38 1.45 8.00 -1.26 -5.08 116.55 137.44 1up6 n ASP 223 Ca 0.44 -3.85 0.09 0.00 0.71 0.00 0.00 54.79 52.18 1up6 n ASP 223 Cb 0.46 -0.46 0.32 0.00 -0.02 0.00 0.00 41.12 41.42 1up6 n ASP 223 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1up6 n GLU 224 N -0.97 3.41 -4.40 -1.24 2.13 -1.26 -4.99 120.64 113.33 1up6 n GLU 224 Ca 0.29 -2.75 -0.24 0.00 0.66 0.00 0.00 57.16 55.11 1up6 n GLU 224 Cb 0.80 -1.76 -0.13 0.00 0.27 0.00 0.00 31.44 30.62 1up6 n GLU 224 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1up6 s ASP 225 N -1.02 2.52 0.21 4.31 1.11 -1.26 -5.06 116.67 117.48 1up6 s ASP 225 Ca 0.47 -0.63 -0.32 0.00 0.18 0.00 0.00 52.55 52.24 1up6 s ASP 225 Cb 0.29 -0.16 -0.13 0.00 1.07 0.00 0.00 42.92 43.99 1up6 s ASP 225 CO 0.24 0.09 1.52 0.49 1.18 0.00 0.00 175.17 178.69 1up6 n PHE 226 N 1.33 2.31 -1.43 4.23 3.72 -1.26 -4.97 117.46 121.39 1up6 n PHE 226 Ca -0.19 0.32 -0.29 0.00 -0.05 0.00 0.00 57.45 57.24 1up6 n PHE 226 Cb 0.53 -2.52 0.18 0.00 -0.94 0.00 0.00 39.48 36.73 1up6 n PHE 226 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1up6 s PRO 227 N 0.29 0.34 0.16 -1.08 0.04 -1.26 -4.96 135.00 128.53 1up6 s PRO 227 Ca 0.73 0.11 -0.14 0.00 0.04 0.00 0.00 61.00 61.74 1up6 s PRO 227 Cb -0.64 -1.76 0.04 0.00 0.04 0.00 0.00 34.50 32.18 1up6 s PRO 227 CO 0.43 -2.71 1.72 1.15 0.04 0.00 0.00 177.00 177.64 1up6 h THR 228 N -1.86 1.20 -0.00 1.26 2.02 -1.98 -2.75 112.91 110.80 1up6 h THR 228 Ca -0.49 -0.60 0.00 0.00 0.77 0.00 0.00 66.41 66.09 1up6 h THR 228 Cb 1.31 0.66 -0.00 0.00 -1.74 0.00 0.00 68.15 68.38 1up6 h THR 228 CO 0.50 0.23 0.00 4.11 0.37 0.00 0.00 175.52 180.74 1up6 h TRP 229 N 0.67 0.00 -0.17 3.16 5.08 -1.99 -2.39 115.95 120.32 1up6 h TRP 229 Ca 0.17 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 60.14 1up6 h TRP 229 Cb 0.16 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.31 1up6 h TRP 229 CO -0.00 0.00 0.09 0.35 -1.28 0.00 0.00 178.44 177.60 1up6 h PHE 230 N 0.00 0.24 -0.28 0.12 3.57 -1.86 0.03 116.94 118.76 1up6 h PHE 230 Ca 0.00 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.38 1up6 h PHE 230 Cb 0.01 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.66 1up6 h PHE 230 CO 0.00 0.25 -0.30 1.88 -2.23 0.00 0.00 178.31 177.91 1up6 h TYR 231 N 0.16 0.67 -0.31 0.41 0.05 -1.54 0.45 116.97 116.86 1up6 h TYR 231 Ca 0.06 -0.16 -0.06 0.00 0.05 0.00 0.00 58.73 58.61 1up6 h TYR 231 Cb 0.09 -0.16 -0.02 0.00 1.01 0.00 0.00 36.73 37.66 1up6 h TYR 231 CO -0.03 0.82 -0.08 -0.44 -1.05 0.00 0.00 178.16 177.38 1up6 h ASP 232 N 0.50 0.49 0.04 3.88 3.32 -1.34 -0.81 116.42 122.51 1up6 h ASP 232 Ca 0.06 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.00 1up6 h ASP 232 Cb 0.77 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.19 1up6 h ASP 232 CO 0.06 0.61 -0.02 0.28 -1.72 0.00 0.00 179.24 178.46 1up6 h SER 233 N 0.48 -0.05 0.57 6.45 0.02 -0.52 -3.40 113.55 117.11 1up6 h SER 233 Ca 0.10 -0.56 -0.28 0.00 -0.84 0.00 0.00 61.79 60.20 1up6 h SER 233 Cb 0.43 0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.95 1up6 h SER 233 CO 0.02 0.70 -1.50 0.58 -1.14 0.00 0.00 176.83 175.49 1up6 h VAL 234 N -0.95 1.14 -6.09 2.27 2.07 -0.99 -3.48 116.25 110.23 1up6 h VAL 234 Ca -0.01 -2.88 -0.44 0.00 0.82 0.00 0.00 66.70 64.20 1up6 h VAL 234 Cb 0.60 2.65 0.04 0.00 -1.52 0.00 0.00 31.29 33.06 1up6 h VAL 234 CO 0.01 0.74 -0.72 0.54 0.02 0.00 0.00 177.57 178.16 1up6 n ARG 235 N -3.29 -6.63 -4.38 1.57 1.74 -0.31 -5.02 116.66 100.33 1up6 n ARG 235 Ca -0.14 0.70 -0.19 0.00 -0.77 0.00 0.00 57.85 57.46 1up6 n ARG 235 Cb 1.02 -5.67 -0.15 0.00 -1.02 0.00 0.00 32.46 26.64 1up6 n ARG 235 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1up6 s LEU 236 N -7.30 2.00 -0.08 0.55 1.43 -1.26 -4.86 118.68 109.16 1up6 s LEU 236 Ca 0.63 -0.17 -0.29 0.00 -1.03 0.00 0.00 54.13 53.28 1up6 s LEU 236 Cb -0.30 -0.48 -0.02 0.00 0.03 0.00 0.00 46.19 45.42 1up6 s LEU 236 CO 0.78 0.11 0.97 -0.63 0.23 0.00 0.00 176.35 177.81 1up6 s ILE 237 N -0.19 4.83 -0.08 -0.59 1.01 -0.32 -4.87 121.20 120.99 1up6 s ILE 237 Ca 0.03 1.98 -0.00 0.00 0.00 0.00 0.00 60.65 62.65 1up6 s ILE 237 Cb -0.04 -4.28 -0.03 0.00 0.01 0.00 0.00 42.46 38.12 1up6 s ILE 237 CO -0.00 0.06 -0.04 -0.69 0.00 0.00 0.00 174.94 174.28 1up6 s VAL 238 N 1.67 3.99 0.24 2.92 1.01 -1.26 -0.49 120.40 128.48 1up6 s VAL 238 Ca 0.48 -0.37 -0.31 0.00 0.00 0.00 0.00 61.98 61.78 1up6 s VAL 238 Cb -0.19 -2.66 -0.14 0.00 0.00 0.00 0.00 36.38 33.40 1up6 s VAL 238 CO 0.20 0.60 1.37 -3.20 0.00 0.00 0.00 175.10 174.07 1up6 n ASN 239 N 2.19 2.59 0.18 3.32 2.85 -0.73 -4.86 115.26 120.80 1up6 n ASN 239 Ca -0.18 1.15 0.17 0.00 -0.11 0.00 0.00 54.58 55.60 1up6 n ASN 239 Cb 0.53 -1.41 0.79 0.00 1.24 0.00 0.00 39.78 40.94 1up6 n ASN 239 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1up6 h PRO 240 N 4.02 0.00 0.00 1.20 0.11 -1.93 -1.24 132.00 134.16 1up6 h PRO 240 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1up6 h PRO 240 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1up6 h PRO 240 CO 0.74 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.19 1up6 n TYR 241 N -3.96 0.78 0.36 0.65 4.01 -1.26 -1.92 117.16 115.81 1up6 n TYR 241 Ca 0.02 0.33 0.12 0.00 -0.16 0.00 0.00 57.90 58.21 1up6 n TYR 241 Cb 0.34 -1.03 0.51 0.00 -0.31 0.00 0.00 39.34 38.84 1up6 n TYR 241 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1up6 n LEU 242 N -2.23 0.66 -0.22 7.72 4.77 -0.47 -2.28 117.00 124.95 1up6 n LEU 242 Ca 0.01 0.68 0.08 0.00 -0.03 0.00 0.00 56.01 56.76 1up6 n LEU 242 Cb 0.18 -0.62 0.36 0.00 -2.33 0.00 0.00 43.42 41.01 1up6 n LEU 242 CO 0.17 -0.63 1.22 0.03 -1.33 0.00 0.00 177.39 176.85 1up6 h ARG 243 N 0.00 0.72 0.00 3.23 3.08 -1.59 0.37 114.38 120.20 1up6 h ARG 243 Ca 0.00 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 59.96 1up6 h ARG 243 Cb 0.31 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 1up6 h ARG 243 CO 0.00 0.48 -0.21 1.88 -1.07 0.00 0.00 179.97 181.05 1up6 h TYR 244 N 0.75 0.00 0.00 3.04 0.05 -1.70 -3.19 116.97 115.92 1up6 h TYR 244 Ca 0.37 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 59.13 1up6 h TYR 244 Cb 0.43 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.17 1up6 h TYR 244 CO -0.00 0.21 -0.13 1.88 -1.05 0.00 0.00 178.16 179.07 1up6 h TYR 245 N 0.00 0.00 -0.26 4.88 -1.99 -1.41 -3.30 116.97 114.88 1up6 h TYR 245 Ca -0.00 0.00 -0.14 0.00 2.00 0.00 0.00 58.73 60.59 1up6 h TYR 245 Cb 0.47 0.00 -0.08 0.00 2.00 0.00 0.00 36.73 39.12 1up6 h TYR 245 CO 0.00 0.35 0.18 1.28 -0.00 0.00 0.00 178.16 179.97 1up6 n LEU 246 N -4.70 4.18 0.00 3.88 4.32 0.00 -4.94 117.00 119.75 1up6 n LEU 246 Ca -0.05 -2.14 0.00 0.00 -0.02 0.00 0.00 56.01 53.80 1up6 n LEU 246 Cb 0.20 -0.64 0.00 0.00 -1.62 0.00 0.00 43.42 41.36 1up6 n LEU 246 CO 0.11 0.69 0.00 1.21 -1.22 0.00 0.00 177.39 178.19 1up6 n GLU 248 N 0.15 0.00 -0.31 3.23 2.13 -1.24 -5.05 120.64 119.55 1up6 n GLU 248 Ca 0.16 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 57.93 1up6 n GLU 248 Cb 0.78 0.00 0.08 0.00 0.27 0.00 0.00 31.44 32.57 1up6 n GLU 248 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 1up6 h LYS 249 N 0.00 1.17 -0.77 5.31 1.57 -1.92 -0.06 116.57 121.87 1up6 h LYS 249 Ca 0.00 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1up6 h LYS 249 Cb 0.00 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.07 1up6 h LYS 249 CO 0.00 0.84 0.00 1.17 -0.57 0.00 0.00 179.45 180.89 1up6 n LYS 250 N -4.40 0.35 0.00 3.15 4.81 -1.26 -2.37 118.16 118.44 1up6 n LYS 250 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.53 1up6 n LYS 250 Cb 0.08 -1.22 0.00 0.00 0.02 0.00 0.00 35.03 33.90 1up6 n LYS 250 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1up6 n PHE 252 N 0.48 0.00 -0.23 5.64 7.35 -0.04 -2.24 117.46 128.43 1up6 n PHE 252 Ca 0.00 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.61 1up6 n PHE 252 Cb 0.12 0.00 0.03 0.00 0.35 0.00 0.00 39.48 39.98 1up6 n PHE 252 CO 0.00 0.00 0.00 -0.22 -0.76 0.00 0.00 176.76 175.78 1up6 h LYS 253 N 0.00 1.02 -0.13 -4.13 1.63 -1.72 -1.23 116.57 112.01 1up6 h LYS 253 Ca 0.00 -0.25 -0.04 0.00 -0.85 0.00 0.00 60.65 59.52 1up6 h LYS 253 Cb 0.00 -0.13 -0.00 0.00 -0.60 0.00 0.00 32.23 31.49 1up6 h LYS 253 CO 0.00 0.92 -0.06 -0.22 -3.45 0.00 0.00 179.45 176.64 1up6 h LYS 254 N 0.94 0.27 -0.50 1.90 3.64 -1.73 -2.56 116.57 118.54 1up6 h LYS 254 Ca 0.20 -0.12 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 1up6 h LYS 254 Cb 0.36 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.15 1up6 h LYS 254 CO 0.00 0.61 0.27 0.82 -2.27 0.00 0.00 179.45 178.88 1up6 h ILE 255 N -0.07 1.17 0.00 2.00 2.04 -1.83 -2.98 117.51 117.85 1up6 h ILE 255 Ca 0.03 -0.45 0.00 0.00 1.00 0.00 0.00 64.86 65.44 1up6 h ILE 255 Cb 0.53 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 37.17 1up6 h ILE 255 CO 0.02 0.19 0.00 -1.54 0.00 0.00 0.00 178.15 176.82 1up6 n SER 256 N -4.65 0.50 -0.77 1.72 3.41 -0.47 -3.04 113.62 110.32 1up6 n SER 256 Ca 0.02 0.57 0.07 0.00 -0.26 0.00 0.00 58.87 59.27 1up6 n SER 256 Cb 0.09 -0.70 0.19 0.00 -0.26 0.00 0.00 64.21 63.53 1up6 n SER 256 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1up6 n THR 257 N -2.00 1.31 -4.16 6.66 -2.24 -0.97 -5.00 114.28 107.89 1up6 n THR 257 Ca 0.05 -1.19 -0.14 0.00 -2.27 0.00 0.00 64.05 60.50 1up6 n THR 257 Cb 0.33 0.32 -0.11 0.00 -2.10 0.00 0.00 70.33 68.77 1up6 n THR 257 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1up6 s HIS 258 N -1.43 0.98 0.39 4.78 3.76 -1.17 -5.07 115.29 117.54 1up6 s HIS 258 Ca 0.30 -0.68 -0.25 0.00 -0.15 0.00 0.00 55.06 54.28 1up6 s HIS 258 Cb 0.18 -0.55 -0.11 0.00 1.11 0.00 0.00 32.58 33.21 1up6 s HIS 258 CO 0.15 -0.04 0.98 -1.91 -0.85 0.00 0.00 174.74 173.07 1up6 n GLU 259 N 0.57 1.30 -1.72 1.40 2.13 -1.26 -4.88 120.64 118.18 1up6 n GLU 259 Ca -0.16 0.46 -0.43 0.00 0.66 0.00 0.00 57.16 57.70 1up6 n GLU 259 Cb 0.58 -1.96 -0.01 0.00 0.27 0.00 0.00 31.44 30.31 1up6 n GLU 259 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1up6 n LEU 260 N 0.72 3.95 -0.29 4.31 4.32 -1.26 -4.90 117.00 123.85 1up6 n LEU 260 Ca 0.09 1.17 0.03 0.00 -0.02 0.00 0.00 56.01 57.28 1up6 n LEU 260 Cb 0.38 -1.53 0.16 0.00 -1.62 0.00 0.00 43.42 40.80 1up6 n LEU 260 CO 0.57 -0.13 1.14 -0.09 -1.22 0.00 0.00 177.39 177.66 1up6 h ARG 261 N 3.91 0.76 -0.56 3.23 9.65 -1.94 -2.59 114.38 126.84 1up6 h ARG 261 Ca -0.47 -0.05 0.11 0.00 -1.10 0.00 0.00 59.98 58.48 1up6 h ARG 261 Cb 1.25 -0.17 -0.09 0.00 -1.39 0.00 0.00 29.97 29.57 1up6 h ARG 261 CO 0.73 0.50 0.02 0.00 2.80 0.00 0.00 179.97 184.02 1up6 h ALA 262 N 1.45 0.56 -0.42 2.80 0.00 -1.90 -1.47 119.26 120.28 1up6 h ALA 262 Ca 0.39 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.45 1up6 h ALA 262 Cb 0.35 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1up6 h ALA 262 CO -0.24 -0.37 0.21 0.00 0.00 0.00 0.00 179.25 178.84 1up6 h ARG 263 N 0.14 0.57 -0.14 0.00 3.08 -1.82 -1.73 114.38 114.49 1up6 h ARG 263 Ca 0.29 -0.06 -0.19 0.00 0.07 0.00 0.00 59.98 60.08 1up6 h ARG 263 Cb 0.44 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.38 1up6 h ARG 263 CO -0.45 0.44 -0.70 0.93 -1.07 0.00 0.00 179.97 179.12 1up6 h GLU 264 N 0.58 0.61 -2.11 0.04 5.08 -1.19 -3.10 114.58 114.49 1up6 h GLU 264 Ca 0.15 -0.47 -0.13 0.00 -1.00 0.00 0.00 59.36 57.91 1up6 h GLU 264 Cb 0.05 0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.35 1up6 h GLU 264 CO -0.02 1.09 -0.21 1.33 -1.00 0.00 0.00 179.01 180.20 1up6 n VAL 265 N -3.91 2.39 0.00 3.13 0.24 -0.65 -2.22 118.33 117.31 1up6 n VAL 265 Ca -0.05 -1.10 0.00 0.00 -2.04 0.00 0.00 64.34 61.15 1up6 n VAL 265 Cb 0.70 -1.82 0.00 0.00 -1.47 0.00 0.00 33.84 31.25 1up6 n VAL 265 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1up6 n LYS 267 N 2.35 0.00 -0.02 7.34 5.02 -1.17 -0.65 118.16 131.02 1up6 n LYS 267 Ca 0.29 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.46 1up6 n LYS 267 Cb 0.71 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.66 1up6 n LYS 267 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1up6 h ILE 268 N 0.00 1.19 -0.33 -0.18 2.04 -1.77 -2.80 117.51 115.67 1up6 h ILE 268 Ca 0.00 -0.60 0.04 0.00 1.00 0.00 0.00 64.86 65.30 1up6 h ILE 268 Cb 0.00 1.40 -0.04 0.00 -0.74 0.00 0.00 36.82 37.44 1up6 h ILE 268 CO 0.00 0.17 0.09 -0.33 0.00 0.00 0.00 178.15 178.08 1up6 h GLU 269 N -0.04 0.21 -0.51 2.37 5.08 -1.17 -1.54 114.58 118.98 1up6 h GLU 269 Ca 0.03 -0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.49 1up6 h GLU 269 Cb 0.25 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 1up6 h GLU 269 CO 0.00 0.14 0.35 -0.22 -1.00 0.00 0.00 179.01 178.28 1up6 h LYS 270 N 0.21 0.19 0.13 2.33 3.64 -1.78 -1.38 116.57 119.91 1up6 h LYS 270 Ca 0.15 -0.01 -0.30 0.00 -1.27 0.00 0.00 60.65 59.22 1up6 h LYS 270 Cb 0.15 -0.04 0.03 0.00 -0.41 0.00 0.00 32.23 31.95 1up6 h LYS 270 CO -0.18 0.13 -1.24 1.49 -2.27 0.00 0.00 179.45 177.37 1up6 h GLU 271 N 0.20 0.61 -0.45 1.90 4.81 -1.11 -3.14 114.58 117.39 1up6 h GLU 271 Ca 0.24 -0.83 -0.12 0.00 -0.13 0.00 0.00 59.36 58.51 1up6 h GLU 271 Cb 0.68 0.28 -0.01 0.00 0.63 0.00 0.00 28.75 30.33 1up6 h GLU 271 CO -0.04 1.38 -0.20 -0.07 -0.73 0.00 0.00 179.01 179.35 1up6 h LEU 272 N 0.23 0.92 -1.06 1.64 3.38 -0.73 -2.82 115.31 116.87 1up6 h LEU 272 Ca -0.19 -0.34 -0.05 0.00 0.09 0.00 0.00 57.88 57.39 1up6 h LEU 272 Cb 1.92 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 42.40 1up6 h LEU 272 CO 0.24 1.09 0.11 -0.26 0.09 0.00 0.00 178.44 179.71 1up6 h PHE 273 N 0.79 0.80 -0.53 1.13 0.04 -1.32 0.66 116.94 118.51 1up6 h PHE 273 Ca 0.11 -0.07 -0.04 0.00 2.80 0.00 0.00 57.97 60.76 1up6 h PHE 273 Cb 0.75 -0.24 -0.02 0.00 2.20 0.00 0.00 35.95 38.65 1up6 h PHE 273 CO 0.05 0.69 0.17 0.93 -0.60 0.00 0.00 178.31 179.54 1up6 h GLU 274 N 0.75 0.81 -0.72 1.51 4.39 -1.49 -2.90 114.58 116.93 1up6 h GLU 274 Ca 0.17 -0.17 -0.07 0.00 0.34 0.00 0.00 59.36 59.63 1up6 h GLU 274 Cb 0.30 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 28.80 1up6 h GLU 274 CO -0.00 0.74 0.19 0.87 -1.16 0.00 0.00 179.01 179.65 1up6 h LYS 275 N 0.72 1.15 0.00 2.33 1.57 -1.13 -2.95 116.57 118.26 1up6 h LYS 275 Ca 0.17 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1up6 h LYS 275 Cb 0.26 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1up6 h LYS 275 CO -0.01 1.00 0.04 1.88 -0.57 0.00 0.00 179.45 181.80 1up6 h TYR 276 N 1.09 0.00 -0.72 -1.35 0.05 -0.68 -1.58 116.97 113.78 1up6 h TYR 276 Ca 0.23 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.96 1up6 h TYR 276 Cb 0.36 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.07 1up6 h TYR 276 CO 0.03 0.00 0.26 0.00 -1.05 0.00 0.00 178.16 177.40 1up6 h ARG 277 N 0.00 1.08 0.00 4.88 3.08 -1.47 -3.35 114.38 118.60 1up6 h ARG 277 Ca 0.00 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 59.85 1up6 h ARG 277 Cb 0.09 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 29.96 1up6 h ARG 277 CO 0.00 0.90 -0.05 0.25 -1.07 0.00 0.00 179.97 180.00 1up6 n THR 278 N -4.28 0.00 -1.70 2.04 -2.24 -1.11 -4.96 114.28 102.03 1up6 n THR 278 Ca 0.06 -0.41 -0.43 0.00 -2.27 0.00 0.00 64.05 61.00 1up6 n THR 278 Cb 0.20 0.97 -0.02 0.00 -2.10 0.00 0.00 70.33 69.38 1up6 n THR 278 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1up6 n ALA 279 N -0.88 1.46 -0.01 6.98 0.00 -0.61 -4.92 120.51 122.52 1up6 n ALA 279 Ca 0.00 0.38 0.09 0.00 0.00 0.00 0.00 53.44 53.91 1up6 n ALA 279 Cb 0.00 -2.30 -0.15 0.00 0.00 0.00 0.00 19.45 17.00 1up6 n ALA 279 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1up6 n VAL 280 N 1.20 0.09 -4.11 0.00 0.24 -1.26 -4.95 118.33 109.53 1up6 n VAL 280 Ca 0.08 -0.48 -0.08 0.00 -2.04 0.00 0.00 64.34 61.82 1up6 n VAL 280 Cb 0.34 0.01 -0.10 0.00 -1.47 0.00 0.00 33.84 32.62 1up6 n VAL 280 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1up6 s GLU 281 N -3.32 0.71 0.11 7.34 2.02 -1.26 -4.77 118.70 119.53 1up6 s GLU 281 Ca -0.07 -1.29 -0.31 0.00 0.02 0.00 0.00 54.97 53.32 1up6 s GLU 281 Cb 0.12 0.19 -0.10 0.00 0.10 0.00 0.00 34.13 34.45 1up6 s GLU 281 CO 0.83 -0.15 1.85 0.42 0.02 0.00 0.00 175.26 178.23 1up6 s ILE 282 N -3.94 2.58 0.32 -1.63 1.01 -1.26 -4.93 121.20 113.36 1up6 s ILE 282 Ca 0.12 0.04 -0.29 0.00 0.00 0.00 0.00 60.65 60.52 1up6 s ILE 282 Cb 0.08 -3.03 -0.10 0.00 0.01 0.00 0.00 42.46 39.42 1up6 s ILE 282 CO -0.06 -0.00 1.24 -2.16 0.00 0.00 0.00 174.94 173.96 1up6 s PRO 283 N 2.94 4.42 0.22 2.79 0.04 -1.26 -4.95 135.00 139.19 1up6 s PRO 283 Ca 0.82 2.09 -0.08 0.00 0.04 0.00 0.00 61.00 63.86 1up6 s PRO 283 Cb -0.46 -3.08 0.28 0.00 0.04 0.00 0.00 34.50 31.29 1up6 s PRO 283 CO 0.37 -0.09 1.81 1.49 0.04 0.00 0.00 177.00 180.62 1up6 h GLU 284 N 3.46 0.69 -0.11 4.56 4.22 -2.00 -1.72 114.58 123.67 1up6 h GLU 284 Ca -0.48 -0.04 0.03 0.00 0.08 0.00 0.00 59.36 58.95 1up6 h GLU 284 Cb 1.22 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.31 1up6 h GLU 284 CO 0.66 0.45 0.29 1.49 -2.18 0.00 0.00 179.01 179.72 1up6 h GLU 285 N 0.71 0.00 0.15 1.92 4.81 -2.03 0.33 114.58 120.46 1up6 h GLU 285 Ca 0.33 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 59.33 1up6 h GLU 285 Cb 0.24 0.00 0.03 0.00 0.63 0.00 0.00 28.75 29.64 1up6 h GLU 285 CO -0.20 0.00 -0.98 1.25 -0.73 0.00 0.00 179.01 178.35 1up6 h LEU 286 N 0.00 0.61 -8.11 1.64 6.46 -1.70 -3.52 115.31 110.69 1up6 h LEU 286 Ca 0.05 -0.91 -0.35 0.00 -0.12 0.00 0.00 57.88 56.55 1up6 h LEU 286 Cb 0.63 -0.19 -0.05 0.00 -0.73 0.00 0.00 40.66 40.31 1up6 h LEU 286 CO -0.00 1.46 1.00 -0.89 -0.62 0.00 0.00 178.44 179.39 1up6 s THR 287 N -2.62 3.56 0.00 1.05 2.01 0.11 -4.80 115.64 114.94 1up6 s THR 287 Ca -0.12 -0.69 0.00 0.00 0.31 0.00 0.00 61.69 61.19 1up6 s THR 287 Cb 0.02 -4.36 0.00 0.00 0.01 0.00 0.00 72.50 68.17 1up6 s THR 287 CO 0.87 -1.10 0.00 0.61 -0.69 0.00 0.00 174.62 174.30 1up6 n GLY 291 N 6.40 0.00 1.81 4.40 0.00 -1.26 -5.13 105.19 111.41 1up6 n GLY 291 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.44 1up6 n GLY 291 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1up6 n SER 292 N 0.58 0.00 0.00 1.61 7.64 -1.26 -4.69 113.62 117.50 1up6 n SER 292 Ca 0.00 -0.47 0.00 0.00 1.01 0.00 0.00 58.87 59.41 1up6 n SER 292 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1up6 n SER 292 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1up6 n TYR 294 N 1.43 0.00 0.06 1.43 4.11 -1.26 -4.71 117.16 118.23 1up6 n TYR 294 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.90 57.77 1up6 n TYR 294 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 39.34 39.27 1up6 n TYR 294 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.86 177.52 1up6 h SER 295 N 0.00 -0.07 -0.19 9.48 4.64 -1.89 -1.84 113.55 123.68 1up6 h SER 295 Ca 0.00 -0.05 -0.04 0.00 -0.47 0.00 0.00 61.79 61.23 1up6 h SER 295 Cb 0.00 0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.09 1up6 h SER 295 CO 0.00 0.00 0.02 0.74 -0.87 0.00 0.00 176.83 176.72 1up6 h THR 296 N -0.13 1.17 -0.62 2.95 2.02 -1.86 -1.98 112.91 114.46 1up6 h THR 296 Ca -0.01 -0.66 -0.04 0.00 0.77 0.00 0.00 66.41 66.48 1up6 h THR 296 Cb 0.11 0.93 -0.03 0.00 -1.74 0.00 0.00 68.15 67.43 1up6 h THR 296 CO 0.01 0.23 0.23 0.00 0.37 0.00 0.00 175.52 176.36 1up6 h ALA 297 N 1.59 0.80 0.02 6.16 0.00 -1.75 -1.87 119.26 124.21 1up6 h ALA 297 Ca 0.10 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1up6 h ALA 297 Cb 0.26 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1up6 h ALA 297 CO 0.01 0.44 -0.01 0.00 0.00 0.00 0.00 179.25 179.69 1up6 h ALA 298 N 1.08 -0.03 -0.40 0.00 0.00 -0.82 -2.46 119.26 116.63 1up6 h ALA 298 Ca 0.20 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 1up6 h ALA 298 Cb 0.24 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1up6 h ALA 298 CO -0.01 -0.44 -0.18 0.00 0.00 0.00 0.00 179.25 178.62 1up6 h ALA 299 N 0.80 0.57 -0.49 0.00 0.00 -1.37 -1.16 119.26 117.61 1up6 h ALA 299 Ca -0.00 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.47 1up6 h ALA 299 Cb 0.17 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1up6 h ALA 299 CO 0.00 0.52 -0.01 0.45 0.00 0.00 0.00 179.25 180.21 1up6 h HIS 300 N 0.65 0.87 -0.30 0.00 3.86 -1.40 -0.63 115.15 118.21 1up6 h HIS 300 Ca 0.09 -0.13 -0.02 0.00 -1.16 0.00 0.00 60.37 59.15 1up6 h HIS 300 Cb 0.74 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.96 1up6 h HIS 300 CO 0.06 0.81 0.11 1.25 0.86 0.00 0.00 177.93 181.02 1up6 h LEU 301 N 0.76 0.43 -0.52 2.43 5.85 -1.22 -0.91 115.31 122.12 1up6 h LEU 301 Ca 0.15 -0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 1up6 h LEU 301 Cb 0.47 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 1up6 h LEU 301 CO 0.02 0.49 0.21 0.40 -0.34 0.00 0.00 178.44 179.23 1up6 h ILE 302 N 0.34 1.21 -0.23 4.05 2.04 -0.99 -0.12 117.51 123.80 1up6 h ILE 302 Ca 0.10 -0.66 0.05 0.00 1.00 0.00 0.00 64.86 65.35 1up6 h ILE 302 Cb 0.21 0.67 -0.05 0.00 -0.74 0.00 0.00 36.82 36.91 1up6 h ILE 302 CO -0.01 0.25 -0.07 -0.09 0.00 0.00 0.00 178.15 178.24 1up6 h ARG 303 N 0.70 -0.01 0.00 2.37 1.12 -0.95 -0.57 114.38 117.04 1up6 h ARG 303 Ca 0.17 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.05 1up6 h ARG 303 Cb 0.19 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.15 1up6 h ARG 303 CO -0.02 -0.01 0.00 -0.44 -3.11 0.00 0.00 179.97 176.40 1up6 h ASP 304 N -0.01 0.00 0.33 -3.80 3.32 -0.93 -1.72 116.42 113.60 1up6 h ASP 304 Ca 0.11 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.00 1up6 h ASP 304 Cb 0.18 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 1up6 h ASP 304 CO -0.24 0.00 -0.65 -0.07 -1.72 0.00 0.00 179.24 176.55 1up6 h LEU 305 N 0.00 0.35 0.02 1.55 -0.00 -0.38 -3.30 115.31 113.55 1up6 h LEU 305 Ca 0.00 -0.21 -0.27 0.00 -0.00 0.00 0.00 57.88 57.39 1up6 h LEU 305 Cb 0.74 -0.10 0.02 0.00 -0.00 0.00 0.00 40.66 41.32 1up6 h LEU 305 CO 0.00 0.91 -1.12 -0.33 -0.00 0.00 0.00 178.44 177.90 1up6 h GLU 306 N 0.22 0.60 -7.25 1.13 4.39 -0.31 0.12 114.58 113.48 1up6 h GLU 306 Ca -0.01 -0.72 -0.46 0.00 0.34 0.00 0.00 59.36 58.50 1up6 h GLU 306 Cb 1.19 0.22 0.10 0.00 -0.10 0.00 0.00 28.75 30.16 1up6 h GLU 306 CO 0.11 1.31 0.17 0.95 -1.16 0.00 0.00 179.01 180.38 1up6 s THR 307 N -3.15 2.14 -0.25 1.13 -4.23 -0.73 -4.76 115.64 105.80 1up6 s THR 307 Ca -0.09 -0.46 0.16 0.00 -1.18 0.00 0.00 61.69 60.12 1up6 s THR 307 Cb 0.07 -2.67 0.47 0.00 1.34 0.00 0.00 72.50 71.70 1up6 s THR 307 CO 0.92 0.00 1.36 -0.67 -0.54 0.00 0.00 174.62 175.69 1up6 n ASP 308 N -3.00 3.56 -0.01 3.99 2.03 -1.26 -0.77 116.55 121.09 1up6 n ASP 308 Ca 0.14 -2.90 -0.13 0.00 0.52 0.00 0.00 54.79 52.42 1up6 n ASP 308 Cb 0.60 -0.49 -0.09 0.00 -0.72 0.00 0.00 41.12 40.43 1up6 n ASP 308 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1up6 h GLU 309 N 1.57 0.04 -1.27 -0.67 5.08 -1.90 -3.47 114.58 113.96 1up6 h GLU 309 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1up6 h GLU 309 Cb 1.30 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 1up6 h GLU 309 CO 0.17 0.41 0.00 0.41 -1.00 0.00 0.00 179.01 179.00 1up6 n GLY 310 N -0.05 -1.42 3.10 -3.84 0.00 -1.24 -5.06 105.19 96.67 1up6 n GLY 310 Ca -0.08 -0.73 -0.08 0.00 0.00 0.00 0.00 46.02 45.13 1up6 n GLY 310 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1up6 s LYS 311 N -1.53 0.60 -0.15 1.61 -0.14 -0.42 -4.92 119.74 114.80 1up6 s LYS 311 Ca 0.00 -1.04 -0.18 0.00 -1.36 0.00 0.00 55.97 53.39 1up6 s LYS 311 Cb 0.00 0.22 -0.04 0.00 -1.68 0.00 0.00 37.83 36.33 1up6 s LYS 311 CO 0.00 -0.13 0.48 0.42 -0.76 0.00 0.00 175.35 175.36 1up6 s ILE 312 N -3.42 5.17 -0.03 2.17 -1.09 -1.26 -0.41 121.20 122.33 1up6 s ILE 312 Ca 0.02 0.92 0.01 0.00 -2.23 0.00 0.00 60.65 59.37 1up6 s ILE 312 Cb 0.04 -3.81 0.02 0.00 -1.58 0.00 0.00 42.46 37.12 1up6 s ILE 312 CO -0.08 0.27 -0.03 -1.00 -1.23 0.00 0.00 174.94 172.87 1up6 s HIS 313 N 1.00 0.48 -0.25 3.97 3.76 -0.43 -4.93 115.29 118.89 1up6 s HIS 313 Ca 0.24 -0.09 -0.27 0.00 -0.15 0.00 0.00 55.06 54.80 1up6 s HIS 313 Cb -0.15 -0.45 0.01 0.00 1.11 0.00 0.00 32.58 33.10 1up6 s HIS 313 CO 0.10 -0.11 0.95 0.42 -0.85 0.00 0.00 174.74 175.25 1up6 s ILE 314 N 0.63 4.72 0.19 0.60 1.01 -1.26 -0.86 121.20 126.23 1up6 s ILE 314 Ca -0.07 1.76 -0.02 0.00 0.00 0.00 0.00 60.65 62.32 1up6 s ILE 314 Cb -0.10 -4.25 -0.04 0.00 0.01 0.00 0.00 42.46 38.08 1up6 s ILE 314 CO -0.01 -0.20 0.13 0.68 0.00 0.00 0.00 174.94 175.55 1up6 s VAL 315 N 3.13 0.02 -0.36 2.92 -7.23 -0.65 -4.85 120.40 113.37 1up6 s VAL 315 Ca 0.40 -1.95 -0.19 0.00 -1.81 0.00 0.00 61.98 58.44 1up6 s VAL 315 Cb -0.15 -2.39 0.00 0.00 0.56 0.00 0.00 36.38 34.41 1up6 s VAL 315 CO 0.08 -0.09 0.54 0.20 -0.31 0.00 0.00 175.10 175.52 1up6 s ASN 316 N -3.13 6.32 0.26 4.85 0.01 0.99 -1.19 114.94 123.05 1up6 s ASN 316 Ca 0.35 -0.08 -0.16 0.00 -0.71 0.00 0.00 52.86 52.27 1up6 s ASN 316 Cb 0.07 -2.28 0.00 0.00 0.41 0.00 0.00 41.25 39.45 1up6 s ASN 316 CO 0.10 -0.53 0.56 0.28 -1.51 0.00 0.00 177.10 175.99 1up6 s THR 317 N 2.46 0.00 0.31 1.60 -1.32 -0.40 -2.79 115.64 115.50 1up6 s THR 317 Ca 0.19 -1.27 -0.30 0.00 -1.21 0.00 0.00 61.69 59.10 1up6 s THR 317 Cb -0.15 -2.14 -0.11 0.00 -1.51 0.00 0.00 72.50 68.59 1up6 s THR 317 CO 0.14 0.00 1.59 0.54 -2.21 0.00 0.00 174.62 174.68 1up6 n ARG 318 N -0.41 2.72 -0.12 7.08 1.74 -1.26 -0.02 116.66 126.39 1up6 n ARG 318 Ca -0.02 0.97 -0.05 0.00 -0.77 0.00 0.00 57.85 57.97 1up6 n ARG 318 Cb 0.61 -2.75 0.01 0.00 -1.02 0.00 0.00 32.46 29.31 1up6 n ARG 318 CO 0.00 0.00 0.00 -0.97 -1.52 0.00 0.00 177.63 175.14 1up6 h ASN 319 N 4.56 -0.40 -7.06 0.55 -1.24 -0.86 -3.46 115.58 107.67 1up6 h ASN 319 Ca -0.48 0.12 -0.61 0.00 0.71 0.00 0.00 56.30 56.05 1up6 h ASN 319 Cb 1.23 0.26 -0.23 0.00 0.73 0.00 0.00 38.32 40.31 1up6 h ASN 319 CO 0.77 -0.14 -0.95 0.59 -1.29 0.00 0.00 177.43 176.41 1up6 n ASN 320 N -5.31 0.34 0.00 1.15 5.03 -0.44 -0.40 115.26 115.63 1up6 n ASN 320 Ca 0.02 -1.25 0.00 0.00 0.87 0.00 0.00 54.58 54.22 1up6 n ASN 320 Cb 0.23 -1.73 0.00 0.00 -1.02 0.00 0.00 39.78 37.26 1up6 n ASN 320 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1up6 n GLY 321 N -2.28 1.14 0.15 7.41 0.00 -1.26 -4.90 105.19 105.45 1up6 n GLY 321 Ca -0.25 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.69 1up6 n GLY 321 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1up6 h SER 322 N 0.00 -0.32 -3.73 1.61 0.87 -0.91 -3.37 113.55 107.70 1up6 h SER 322 Ca 0.00 0.08 -0.69 0.00 -1.23 0.00 0.00 61.79 59.95 1up6 h SER 322 Cb 0.00 0.18 -0.33 0.00 -0.44 0.00 0.00 62.40 61.81 1up6 h SER 322 CO 0.00 -0.13 -0.68 -0.63 -0.53 0.00 0.00 176.83 174.86 1up6 s ILE 323 N -6.18 3.07 0.52 2.23 -1.09 -1.26 -1.26 121.20 117.23 1up6 s ILE 323 Ca -0.14 -1.45 0.21 0.00 -2.23 0.00 0.00 60.65 57.04 1up6 s ILE 323 Cb 0.11 -2.81 0.35 0.00 -1.58 0.00 0.00 42.46 38.53 1up6 s ILE 323 CO 0.68 -0.18 2.05 -0.08 -1.23 0.00 0.00 174.94 176.18 1up6 h GLU 324 N 8.01 0.03 -0.59 2.79 4.81 -1.33 -2.82 114.58 125.48 1up6 h GLU 324 Ca -0.20 -0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 58.73 1up6 h GLU 324 Cb 1.06 -0.01 -0.18 0.00 0.63 0.00 0.00 28.75 30.26 1up6 h GLU 324 CO 0.55 0.02 0.19 0.27 -0.73 0.00 0.00 179.01 179.31 1up6 n ASN 325 N -4.44 3.01 -4.20 1.04 6.94 -1.26 -4.90 115.26 111.45 1up6 n ASN 325 Ca 0.05 -3.69 -0.20 0.00 -0.02 0.00 0.00 54.58 50.71 1up6 n ASN 325 Cb 0.41 -0.71 -0.12 0.00 -2.36 0.00 0.00 39.78 37.00 1up6 n ASN 325 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1up6 s LEU 326 N -3.25 2.26 0.51 -4.53 1.02 -1.07 -4.96 118.68 108.66 1up6 s LEU 326 Ca 0.49 -0.60 -0.23 0.00 0.02 0.00 0.00 54.13 53.81 1up6 s LEU 326 Cb 0.43 -0.64 -0.06 0.00 0.02 0.00 0.00 46.19 45.94 1up6 s LEU 326 CO 0.04 -0.01 1.40 -2.84 0.02 0.00 0.00 176.35 174.96 1up6 s PRO 327 N -1.64 3.34 0.53 1.29 0.02 -1.26 -4.90 135.00 132.38 1up6 s PRO 327 Ca 0.01 2.34 0.22 0.00 0.02 0.00 0.00 61.00 63.59 1up6 s PRO 327 Cb -0.10 -2.42 1.37 0.00 0.02 0.00 0.00 34.50 33.38 1up6 s PRO 327 CO 0.03 -1.06 2.05 -0.44 -0.33 0.00 0.00 177.00 177.24 1up6 h ASP 328 N 1.79 0.00 0.01 2.53 3.32 -1.95 -3.02 116.42 119.10 1up6 h ASP 328 Ca -0.51 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.54 1up6 h ASP 328 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 1up6 h ASP 328 CO 0.59 0.00 -0.06 -0.90 -1.72 0.00 0.00 179.24 177.15 1up6 n ASP 329 N -4.40 1.99 -4.69 6.45 5.75 -1.26 -1.32 116.55 119.07 1up6 n ASP 329 Ca 0.05 -1.61 -0.42 0.00 -0.01 0.00 0.00 54.79 52.80 1up6 n ASP 329 Cb 0.42 0.05 -0.03 0.00 -1.03 0.00 0.00 41.12 40.53 1up6 n ASP 329 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 1up6 s TYR 330 N -2.08 2.11 0.03 2.11 1.51 -1.14 -4.73 117.35 115.16 1up6 s TYR 330 Ca 0.32 -0.01 -0.30 0.00 -1.01 0.00 0.00 57.07 56.07 1up6 s TYR 330 Cb 0.20 -4.15 -0.06 0.00 -0.11 0.00 0.00 41.96 37.84 1up6 s TYR 330 CO 0.36 -4.78 1.39 0.08 -1.11 0.00 0.00 175.55 171.49 1up6 s VAL 331 N 2.86 3.63 0.23 0.71 1.01 -1.26 -1.11 120.40 126.47 1up6 s VAL 331 Ca 0.80 1.07 0.07 0.00 0.00 0.00 0.00 61.98 63.92 1up6 s VAL 331 Cb -0.45 -3.69 -0.05 0.00 0.00 0.00 0.00 36.38 32.20 1up6 s VAL 331 CO 0.36 0.02 -0.11 -0.76 0.00 0.00 0.00 175.10 174.61 1up6 s LEU 332 N 2.07 2.51 -0.49 3.92 1.43 0.97 -4.87 118.68 124.22 1up6 s LEU 332 Ca 0.64 -1.08 -0.21 0.00 -1.03 0.00 0.00 54.13 52.45 1up6 s LEU 332 Cb -0.33 -0.63 0.04 0.00 0.03 0.00 0.00 46.19 45.30 1up6 s LEU 332 CO 0.28 -0.24 0.68 -0.70 0.23 0.00 0.00 176.35 176.59 1up6 s GLU 333 N -3.68 3.21 0.10 1.70 2.12 0.06 -1.28 118.70 120.93 1up6 s GLU 333 Ca 0.25 -0.59 -0.12 0.00 0.36 0.00 0.00 54.97 54.87 1up6 s GLU 333 Cb 0.01 -4.03 0.01 0.00 0.26 0.00 0.00 34.13 30.38 1up6 s GLU 333 CO 0.08 -1.18 0.28 0.96 -0.54 0.00 0.00 175.26 174.86 1up6 s ILE 334 N 2.91 0.11 0.04 -3.70 -4.36 -0.33 -3.47 121.20 112.40 1up6 s ILE 334 Ca 0.20 -0.91 -0.30 0.00 -0.26 0.00 0.00 60.65 59.38 1up6 s ILE 334 Cb -0.16 -1.23 -0.06 0.00 1.25 0.00 0.00 42.46 42.26 1up6 s ILE 334 CO 0.16 -0.50 1.28 -2.84 0.24 0.00 0.00 174.94 173.28 1up6 s PRO 335 N -3.68 4.36 0.12 0.37 0.02 -1.26 -1.64 135.00 133.30 1up6 s PRO 335 Ca 0.03 1.86 0.06 0.00 0.02 0.00 0.00 61.00 62.97 1up6 s PRO 335 Cb 0.03 -3.41 -0.04 0.00 0.02 0.00 0.00 34.50 31.10 1up6 s PRO 335 CO -0.10 -0.39 -0.15 0.00 -0.33 0.00 0.00 177.00 176.02 1up6 s TYR 337 N -2.05 3.06 -0.15 0.00 5.04 0.10 -1.31 117.35 122.04 1up6 s TYR 337 Ca 0.09 0.37 -0.04 0.00 -2.44 0.00 0.00 57.07 55.06 1up6 s TYR 337 Cb -0.05 -3.49 -0.03 0.00 0.35 0.00 0.00 41.96 38.74 1up6 s TYR 337 CO 0.03 -0.83 -0.03 0.08 -1.34 0.00 0.00 175.55 173.46 1up6 s VAL 338 N 3.15 3.92 -0.28 3.14 1.01 0.45 -0.76 120.40 131.02 1up6 s VAL 338 Ca 0.30 -0.35 -0.17 0.00 0.00 0.00 0.00 61.98 61.76 1up6 s VAL 338 Cb -0.13 -2.72 0.11 0.00 0.00 0.00 0.00 36.38 33.65 1up6 s VAL 338 CO 0.19 0.50 0.84 -0.60 0.00 0.00 0.00 175.10 176.03 1up6 s ARG 339 N 0.31 0.56 -1.08 2.72 3.52 -0.84 -1.30 118.95 122.84 1up6 s ARG 339 Ca -0.03 0.93 -0.21 0.00 -0.13 0.00 0.00 55.73 56.28 1up6 s ARG 339 Cb -0.14 0.13 0.03 0.00 -1.56 0.00 0.00 34.95 33.41 1up6 s ARG 339 CO 0.03 -0.11 0.40 0.43 -0.81 0.00 0.00 175.30 175.24 1up6 n SER 340 N 3.84 -2.20 0.00 -2.12 7.64 0.05 -1.11 113.62 119.72 1up6 n SER 340 Ca -0.19 -1.07 0.00 0.00 1.01 0.00 0.00 58.87 58.62 1up6 n SER 340 Cb 0.58 -1.30 0.00 0.00 -1.01 0.00 0.00 64.21 62.48 1up6 n SER 340 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1up6 n GLY 341 N -2.02 1.64 3.55 0.23 0.00 0.41 -5.00 105.19 104.01 1up6 n GLY 341 Ca -0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.61 1up6 n GLY 341 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1up6 s ARG 342 N -0.20 2.00 -0.18 1.61 0.52 -0.27 -5.10 118.95 117.34 1up6 s ARG 342 Ca 0.00 -1.27 0.01 0.00 -0.52 0.00 0.00 55.73 53.95 1up6 s ARG 342 Cb 0.00 -2.14 0.02 0.00 0.52 0.00 0.00 34.95 33.35 1up6 s ARG 342 CO 0.00 0.44 -0.20 0.08 0.02 0.00 0.00 175.30 175.64 1up6 s VAL 343 N -1.63 2.02 -0.20 3.52 1.01 -1.26 -1.99 120.40 121.87 1up6 s VAL 343 Ca 0.24 -0.91 -0.02 0.00 0.00 0.00 0.00 61.98 61.28 1up6 s VAL 343 Cb -0.09 -1.83 -0.01 0.00 0.00 0.00 0.00 36.38 34.46 1up6 s VAL 343 CO 0.14 0.53 -0.09 -1.00 0.00 0.00 0.00 175.10 174.69 1up6 s HIS 344 N 1.30 2.90 0.39 5.22 3.76 0.06 -4.96 115.29 123.95 1up6 s HIS 344 Ca 0.05 -0.99 -0.27 0.00 -0.15 0.00 0.00 55.06 53.70 1up6 s HIS 344 Cb -0.13 -2.02 -0.10 0.00 1.11 0.00 0.00 32.58 31.44 1up6 s HIS 344 CO -0.13 -0.52 1.37 0.99 -0.85 0.00 0.00 174.74 175.61 1up6 s THR 345 N 1.21 2.40 -0.09 1.30 2.01 -1.26 -0.72 115.64 120.49 1up6 s THR 345 Ca 0.02 0.38 0.02 0.00 0.31 0.00 0.00 61.69 62.42 1up6 s THR 345 Cb -0.14 -3.24 -0.02 0.00 0.01 0.00 0.00 72.50 69.11 1up6 s THR 345 CO -0.03 0.08 -0.12 -0.22 -0.69 0.00 0.00 174.62 173.63 1up6 s LEU 346 N -2.22 2.80 0.17 4.42 2.96 -1.24 -4.87 118.68 120.70 1up6 s LEU 346 Ca 0.54 -0.22 -0.34 0.00 -0.22 0.00 0.00 54.13 53.89 1up6 s LEU 346 Cb -0.42 -1.60 -0.14 0.00 0.50 0.00 0.00 46.19 44.53 1up6 s LEU 346 CO 0.55 0.27 1.53 -0.24 -1.32 0.00 0.00 176.35 177.14 1up6 n SER 347 N 2.82 2.93 0.00 3.68 2.88 -1.26 -4.29 113.62 120.37 1up6 n SER 347 Ca -0.18 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.46 1up6 n SER 347 Cb 0.52 -1.41 0.00 0.00 -0.75 0.00 0.00 64.21 62.58 1up6 n SER 347 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1up6 n GLN 348 N 3.12 2.47 0.00 -1.46 6.02 -0.39 -5.03 117.38 122.11 1up6 n GLN 348 Ca 0.16 -0.07 0.00 0.00 -0.01 0.00 0.00 57.00 57.08 1up6 n GLN 348 Cb 0.28 -0.39 0.00 0.00 1.02 0.00 0.00 30.24 31.15 1up6 n GLN 348 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1up6 n GLY 349 N 0.37 -0.09 3.88 1.08 0.00 -1.23 -4.96 105.19 104.24 1up6 n GLY 349 Ca 0.00 -1.40 -0.31 0.00 0.00 0.00 0.00 46.02 44.30 1up6 n GLY 349 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1up6 s LYS 350 N 0.00 3.73 0.16 1.61 1.02 -1.26 -1.24 119.74 123.76 1up6 s LYS 350 Ca 0.00 0.14 0.01 0.00 0.02 0.00 0.00 55.97 56.14 1up6 s LYS 350 Cb 0.00 -2.71 -0.04 0.00 -0.52 0.00 0.00 37.83 34.56 1up6 s LYS 350 CO 0.00 0.35 0.32 0.20 -0.92 0.00 0.00 175.35 175.30 1up6 s GLY 351 N -2.45 1.82 0.32 -3.33 0.00 -1.26 -4.95 107.32 97.47 1up6 s GLY 351 Ca 0.45 -0.91 -0.28 0.00 0.00 0.00 0.00 44.72 43.98 1up6 s GLY 351 CO 0.23 -0.89 1.11 -0.35 0.00 0.00 0.00 173.10 173.20 1up6 s ASP 352 N -3.09 7.03 0.30 1.64 -1.08 -1.26 -4.90 116.67 115.31 1up6 s ASP 352 Ca 0.36 2.26 0.03 0.00 -0.52 0.00 0.00 52.55 54.68 1up6 s ASP 352 Cb -0.11 -2.62 0.61 0.00 -1.46 0.00 0.00 42.92 39.34 1up6 s ASP 352 CO 0.28 -0.31 1.86 0.45 0.52 0.00 0.00 175.17 177.97 1up6 h HIS 353 N 3.35 1.05 -0.28 -5.34 3.86 -1.98 -0.72 115.15 115.08 1up6 h HIS 353 Ca -0.47 0.03 0.03 0.00 -1.16 0.00 0.00 60.37 58.79 1up6 h HIS 353 Cb 1.22 -0.33 -0.03 0.00 1.06 0.00 0.00 27.41 29.32 1up6 h HIS 353 CO 0.58 0.44 0.11 0.35 0.86 0.00 0.00 177.93 180.26 1up6 h PHE 354 N 0.93 0.20 -0.55 2.45 3.57 -1.97 -1.77 116.94 119.79 1up6 h PHE 354 Ca 0.46 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.91 1up6 h PHE 354 Cb 0.48 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.16 1up6 h PHE 354 CO -0.00 0.10 0.07 0.00 -2.23 0.00 0.00 178.31 176.24 1up6 h ALA 355 N 1.17 0.74 -0.19 2.41 0.00 -1.59 -3.00 119.26 118.79 1up6 h ALA 355 Ca 0.12 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 1up6 h ALA 355 Cb 0.08 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1up6 h ALA 355 CO -0.12 0.50 -0.18 -0.07 0.00 0.00 0.00 179.25 179.39 1up6 h LEU 356 N 0.82 0.32 -0.79 0.00 4.07 -1.02 -1.71 115.31 117.00 1up6 h LEU 356 Ca 0.17 -0.08 0.01 0.00 0.08 0.00 0.00 57.88 58.05 1up6 h LEU 356 Cb 0.44 -0.08 -0.04 0.00 1.08 0.00 0.00 40.66 42.06 1up6 h LEU 356 CO 0.02 0.52 0.52 0.77 -1.08 0.00 0.00 178.44 179.19 1up6 h SER 357 N 0.30 0.91 0.04 -0.43 4.64 -1.17 -0.75 113.55 117.09 1up6 h SER 357 Ca 0.06 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1up6 h SER 357 Cb 0.49 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1up6 h SER 357 CO 0.03 0.66 -0.02 -0.26 -0.87 0.00 0.00 176.83 176.37 1up6 h PHE 358 N 1.07 -0.04 -0.12 4.77 0.04 -1.48 -2.72 116.94 118.46 1up6 h PHE 358 Ca 0.29 -0.00 0.01 0.00 2.80 0.00 0.00 57.97 61.07 1up6 h PHE 358 Cb -0.12 0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.03 1up6 h PHE 358 CO -0.02 0.17 0.02 0.82 -0.60 0.00 0.00 178.31 178.71 1up6 h ILE 359 N -0.26 0.95 0.09 -0.55 2.04 -1.05 -2.02 117.51 116.71 1up6 h ILE 359 Ca -0.00 -0.03 0.01 0.00 1.00 0.00 0.00 64.86 65.84 1up6 h ILE 359 Cb 0.24 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 1up6 h ILE 359 CO 0.01 0.01 -0.16 0.45 0.00 0.00 0.00 178.15 178.47 1up6 h HIS 360 N 0.08 -0.40 -0.57 1.37 3.86 -1.24 -1.24 115.15 117.01 1up6 h HIS 360 Ca 0.05 0.01 0.08 0.00 -1.16 0.00 0.00 60.37 59.35 1up6 h HIS 360 Cb 0.04 0.17 -0.07 0.00 1.06 0.00 0.00 27.41 28.61 1up6 h HIS 360 CO -0.12 -0.23 0.21 0.00 0.86 0.00 0.00 177.93 178.65 1up6 h ALA 361 N 0.56 0.71 0.00 2.45 0.00 -1.13 -2.89 119.26 118.96 1up6 h ALA 361 Ca 0.02 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 1up6 h ALA 361 Cb 0.32 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1up6 h ALA 361 CO -0.09 -0.19 -0.82 -0.39 0.00 0.00 0.00 179.25 177.76 1up6 h VAL 362 N 0.39 0.39 0.00 0.00 -1.51 -1.31 -2.39 116.25 111.83 1up6 h VAL 362 Ca 0.28 -1.64 0.00 0.00 -1.23 0.00 0.00 66.70 64.11 1up6 h VAL 362 Cb 0.32 2.00 0.00 0.00 -2.13 0.00 0.00 31.29 31.48 1up6 h VAL 362 CO -0.28 0.22 0.00 1.17 -1.23 0.00 0.00 177.57 177.45 1up6 n LYS 363 N -2.96 0.01 0.00 5.19 3.00 -0.48 -0.55 118.16 122.37 1up6 n LYS 363 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.29 1up6 n LYS 363 Cb 0.69 -1.08 0.00 0.00 0.00 0.00 0.00 35.03 34.64 1up6 n LYS 363 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.40 178.38 1up6 n TYR 365 N 0.57 0.00 0.33 5.64 9.36 -0.90 -2.23 117.16 129.93 1up6 n TYR 365 Ca 0.00 0.00 0.14 0.00 3.32 0.00 0.00 57.90 61.36 1up6 n TYR 365 Cb 0.00 0.00 0.42 0.00 -0.63 0.00 0.00 39.34 39.14 1up6 n TYR 365 CO 0.00 0.00 0.00 1.05 0.22 0.00 0.00 176.86 178.13 1up6 h GLU 366 N 0.00 0.00 0.06 2.98 4.11 -1.11 -0.28 114.58 120.34 1up6 h GLU 366 Ca 0.00 0.00 -0.28 0.00 0.07 0.00 0.00 59.36 59.15 1up6 h GLU 366 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1up6 h GLU 366 CO 0.00 0.00 -1.41 0.00 0.07 0.00 0.00 179.01 177.67 1up6 h ARG 367 N 0.00 0.13 -0.80 1.06 3.08 -1.69 -2.63 114.38 113.53 1up6 h ARG 367 Ca 0.00 -0.23 -0.03 0.00 0.07 0.00 0.00 59.98 59.79 1up6 h ARG 367 Cb 0.71 0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.81 1up6 h ARG 367 CO 0.00 0.97 0.38 -0.07 -1.07 0.00 0.00 179.97 180.18 1up6 h LEU 368 N 0.04 1.06 -0.10 3.04 3.38 -1.68 -1.65 115.31 119.40 1up6 h LEU 368 Ca -0.18 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.65 1up6 h LEU 368 Cb 1.95 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 42.42 1up6 h LEU 368 CO 0.14 0.90 0.06 0.74 0.09 0.00 0.00 178.44 180.37 1up6 h THR 369 N 1.14 1.07 -0.23 0.22 2.02 -1.11 -0.82 112.91 115.20 1up6 h THR 369 Ca 0.27 -0.19 0.02 0.00 0.77 0.00 0.00 66.41 67.28 1up6 h THR 369 Cb 0.13 1.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.54 1up6 h THR 369 CO -0.03 0.06 0.10 0.40 0.37 0.00 0.00 175.52 176.42 1up6 h ILE 370 N 0.08 0.97 -0.60 3.11 2.04 -1.35 -0.57 117.51 121.20 1up6 h ILE 370 Ca 0.04 -0.07 0.02 0.00 1.00 0.00 0.00 64.86 65.85 1up6 h ILE 370 Cb 0.05 0.74 -0.04 0.00 -0.74 0.00 0.00 36.82 36.83 1up6 h ILE 370 CO -0.01 0.04 0.37 -0.33 0.00 0.00 0.00 178.15 178.22 1up6 h GLU 371 N 0.22 0.71 -0.55 2.37 5.08 -1.18 0.14 114.58 121.37 1up6 h GLU 371 Ca 0.09 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1up6 h GLU 371 Cb 0.04 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.10 1up6 h GLU 371 CO -0.08 0.47 0.35 0.00 -1.00 0.00 0.00 179.01 178.75 1up6 h ALA 372 N 1.26 0.70 0.10 3.43 0.00 -0.71 -0.97 119.26 123.06 1up6 h ALA 372 Ca 0.24 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.13 1up6 h ALA 372 Cb 0.01 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1up6 h ALA 372 CO -0.10 0.11 -0.20 -0.92 0.00 0.00 0.00 179.25 178.14 1up6 h TYR 373 N 0.72 -0.53 -0.04 0.00 3.20 -0.35 -0.48 116.97 119.49 1up6 h TYR 373 Ca 0.21 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.07 1up6 h TYR 373 Cb -0.06 0.22 -0.00 0.00 1.54 0.00 0.00 36.73 38.43 1up6 h TYR 373 CO -0.04 -0.29 -0.07 -0.07 -1.64 0.00 0.00 178.16 176.05 1up6 h LEU 374 N -0.38 0.05 -2.04 2.82 3.38 -0.29 -1.34 115.31 117.51 1up6 h LEU 374 Ca 0.03 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1up6 h LEU 374 Cb 0.40 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1up6 h LEU 374 CO -0.12 0.13 0.00 0.29 0.09 0.00 0.00 178.44 178.84 1up6 n LYS 375 N -4.42 2.37 -3.90 1.13 5.02 -0.41 -4.99 118.16 112.97 1up6 n LYS 375 Ca -0.02 -2.03 -0.28 0.00 -2.02 0.00 0.00 58.31 53.96 1up6 n LYS 375 Cb 0.17 -1.48 0.02 0.00 -0.02 0.00 0.00 35.03 33.71 1up6 n LYS 375 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1up6 n ARG 376 N 1.36 -4.82 -3.93 1.97 5.12 -0.25 -4.90 116.66 111.20 1up6 n ARG 376 Ca 0.16 0.55 -0.35 0.00 -1.93 0.00 0.00 57.85 56.29 1up6 n ARG 376 Cb 0.59 -5.24 -0.14 0.00 -1.16 0.00 0.00 32.46 26.51 1up6 n ARG 376 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1up6 s SER 377 N -3.73 4.25 0.09 0.55 0.15 -0.81 -0.25 113.70 113.94 1up6 s SER 377 Ca 0.41 -0.60 -0.26 0.00 0.70 0.00 0.00 55.95 56.20 1up6 s SER 377 Cb -0.21 -1.70 -0.14 0.00 -1.71 0.00 0.00 66.02 62.26 1up6 s SER 377 CO 0.84 -0.07 1.70 0.11 1.20 0.00 0.00 173.24 177.03 1up6 h LYS 378 N 8.07 -0.27 -0.66 5.44 1.57 -1.83 -1.07 116.57 127.83 1up6 h LYS 378 Ca -0.38 0.02 0.14 0.00 -1.87 0.00 0.00 60.65 58.56 1up6 h LYS 378 Cb 1.14 0.06 -0.11 0.00 0.08 0.00 0.00 32.23 33.40 1up6 h LYS 378 CO 0.60 -0.18 0.02 0.87 -0.57 0.00 0.00 179.45 180.19 1up6 h LYS 379 N -0.28 0.13 0.00 3.15 1.57 -1.95 -1.21 116.57 117.98 1up6 h LYS 379 Ca -0.01 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.69 1up6 h LYS 379 Cb 0.24 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1up6 h LYS 379 CO 0.01 0.08 -0.34 -0.07 -0.57 0.00 0.00 179.45 178.56 1up6 h LEU 380 N 0.13 0.00 -0.58 2.94 3.38 -1.88 -2.84 115.31 116.46 1up6 h LEU 380 Ca 0.35 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.29 1up6 h LEU 380 Cb 0.58 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 1up6 h LEU 380 CO -0.55 0.34 0.26 0.00 0.09 0.00 0.00 178.44 178.58 1up6 h ALA 381 N 1.66 0.75 -0.97 1.53 0.00 -0.06 -0.80 119.26 121.36 1up6 h ALA 381 Ca -0.00 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.77 1up6 h ALA 381 Cb 1.04 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.56 1up6 h ALA 381 CO 0.04 0.33 0.63 -0.07 0.00 0.00 0.00 179.25 180.18 1up6 h LEU 382 N 0.79 1.13 -0.52 0.00 4.07 -1.19 0.81 115.31 120.41 1up6 h LEU 382 Ca 0.20 -0.04 -0.12 0.00 0.08 0.00 0.00 57.88 58.00 1up6 h LEU 382 Cb 0.15 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 41.59 1up6 h LEU 382 CO -0.02 0.83 -0.14 0.50 -1.08 0.00 0.00 178.44 178.53 1up6 h LYS 383 N 1.32 1.01 -0.38 1.13 3.64 -1.22 -0.69 116.57 121.39 1up6 h LYS 383 Ca 0.35 -0.39 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 1up6 h LYS 383 Cb -0.13 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.62 1up6 h LYS 383 CO -0.07 1.07 0.18 0.00 -2.27 0.00 0.00 179.45 178.36 1up6 h ALA 384 N 0.90 0.49 -0.59 5.00 0.00 -0.53 -2.84 119.26 121.68 1up6 h ALA 384 Ca 0.13 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1up6 h ALA 384 Cb 0.71 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1up6 h ALA 384 CO 0.05 0.05 0.26 1.25 0.00 0.00 0.00 179.25 180.86 1up6 h LEU 385 N 0.47 0.80 -1.60 0.00 5.85 -0.62 -2.11 115.31 118.10 1up6 h LEU 385 Ca 0.13 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1up6 h LEU 385 Cb 0.12 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 40.94 1up6 h LEU 385 CO -0.02 0.73 0.00 -0.07 -0.34 0.00 0.00 178.44 178.75 1up6 h LEU 386 N 0.82 0.00 0.00 2.25 3.38 -1.07 -2.93 115.31 117.76 1up6 h LEU 386 Ca 0.20 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 1up6 h LEU 386 Cb 0.16 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 1up6 h LEU 386 CO -0.02 0.00 -0.75 0.77 0.09 0.00 0.00 178.44 178.53 1up6 h SER 387 N 0.00 0.00 -3.22 -0.43 4.64 -1.13 -3.46 113.55 109.94 1up6 h SER 387 Ca 0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 1up6 h SER 387 Cb 0.36 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.48 1up6 h SER 387 CO 0.00 0.10 0.70 -2.28 -0.87 0.00 0.00 176.83 174.48 1up6 s HIS 388 N -3.25 3.21 0.60 4.77 5.65 -1.11 -4.78 115.29 120.39 1up6 s HIS 388 Ca 0.01 1.07 0.28 0.00 0.25 0.00 0.00 55.06 56.67 1up6 s HIS 388 Cb 0.08 -3.68 1.28 0.00 -1.18 0.00 0.00 32.58 29.08 1up6 s HIS 388 CO 0.76 -2.25 1.69 -1.35 -0.65 0.00 0.00 174.74 172.93 1up6 h PRO 389 N 5.88 0.00 -0.17 2.88 0.11 -1.89 0.17 132.00 138.98 1up6 h PRO 389 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1up6 h PRO 389 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1up6 h PRO 389 CO 0.81 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.88 1up6 n LEU 390 N -3.46 2.83 -4.66 2.35 4.77 -1.26 -5.03 117.00 112.54 1up6 n LEU 390 Ca 0.12 -2.50 -0.29 0.00 -0.03 0.00 0.00 56.01 53.31 1up6 n LEU 390 Cb 0.93 -0.30 0.20 0.00 -2.33 0.00 0.00 43.42 41.92 1up6 n LEU 390 CO 0.24 0.66 0.65 -0.83 -1.33 0.00 0.00 177.39 176.78 1up6 s GLY 391 N -1.64 1.58 0.73 -0.72 0.00 0.59 -4.60 107.32 103.26 1up6 s GLY 391 Ca 0.24 -0.67 -0.11 0.00 0.00 0.00 0.00 44.72 44.18 1up6 s GLY 391 CO 0.07 0.06 1.08 2.56 0.00 0.00 0.00 173.10 176.87 1up6 s PRO 392 N -5.22 2.60 0.76 2.90 0.04 -1.26 -4.99 135.00 129.84 1up6 s PRO 392 Ca 0.68 1.09 -0.11 0.00 0.04 0.00 0.00 61.00 62.71 1up6 s PRO 392 Cb -0.14 -1.94 0.05 0.00 0.04 0.00 0.00 34.50 32.51 1up6 s PRO 392 CO 0.56 -1.37 1.08 -0.51 0.04 0.00 0.00 177.00 176.80 1up6 s ASP 393 N -3.49 4.71 0.24 6.66 1.01 -1.26 -4.73 116.67 119.82 1up6 s ASP 393 Ca 0.60 1.59 -0.06 0.00 0.71 0.00 0.00 52.55 55.39 1up6 s ASP 393 Cb -0.16 -2.36 0.45 0.00 1.01 0.00 0.00 42.92 41.85 1up6 s ASP 393 CO 0.54 -1.87 1.65 0.58 0.21 0.00 0.00 175.17 176.29 1up6 h VAL 394 N -1.01 0.41 -0.01 -1.27 2.07 -1.97 -1.03 116.25 113.43 1up6 h VAL 394 Ca -0.45 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.02 1up6 h VAL 394 Cb 1.24 0.24 -0.00 0.00 -1.52 0.00 0.00 31.29 31.24 1up6 h VAL 394 CO 0.56 0.03 0.03 1.05 0.02 0.00 0.00 177.57 179.25 1up6 h GLU 395 N 0.16 0.00 -0.00 1.57 4.11 -2.05 -2.86 114.58 115.52 1up6 h GLU 395 Ca 0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.84 1up6 h GLU 395 Cb 0.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1up6 h GLU 395 CO -0.60 0.00 -0.63 -0.25 0.07 0.00 0.00 179.01 177.60 1up6 n ASP 396 N -3.35 0.65 -0.26 3.06 8.00 -0.43 -4.79 116.55 119.43 1up6 n ASP 396 Ca -0.03 -0.83 -0.07 0.00 0.71 0.00 0.00 54.79 54.57 1up6 n ASP 396 Cb 0.10 0.99 0.05 0.00 -0.02 0.00 0.00 41.12 42.24 1up6 n ASP 396 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1up6 h ALA 397 N 1.92 0.94 -0.02 2.24 0.00 -1.20 -2.14 119.26 121.00 1up6 h ALA 397 Ca 0.00 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1up6 h ALA 397 Cb 0.32 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1up6 h ALA 397 CO 0.00 0.66 -0.00 0.87 0.00 0.00 0.00 179.25 180.78 1up6 h LYS 398 N 1.08 0.03 -0.66 0.00 1.57 -1.87 -1.07 116.57 115.66 1up6 h LYS 398 Ca 0.22 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 59.03 1up6 h LYS 398 Cb 0.37 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.63 1up6 h LYS 398 CO 0.00 0.36 0.39 -0.44 -0.57 0.00 0.00 179.45 179.19 1up6 h ASP 399 N -0.29 0.61 0.02 0.86 3.32 -1.90 -0.74 116.42 118.30 1up6 h ASP 399 Ca 0.01 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 1up6 h ASP 399 Cb 0.35 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.78 1up6 h ASP 399 CO 0.00 0.41 -0.01 0.25 -1.72 0.00 0.00 179.24 178.17 1up6 h LEU 400 N 0.74 -0.02 -0.71 1.55 5.85 -1.33 -2.05 115.31 119.34 1up6 h LEU 400 Ca 0.28 -0.12 0.07 0.00 0.84 0.00 0.00 57.88 58.94 1up6 h LEU 400 Cb 0.10 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.07 1up6 h LEU 400 CO -0.14 0.11 0.39 0.25 -0.34 0.00 0.00 178.44 178.71 1up6 h LEU 401 N -0.16 0.57 -0.74 2.25 5.85 -1.06 -1.23 115.31 120.79 1up6 h LEU 401 Ca -0.00 0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 1up6 h LEU 401 Cb 0.15 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 1up6 h LEU 401 CO 0.00 0.36 0.29 -0.33 -0.34 0.00 0.00 178.44 178.42 1up6 h GLU 402 N 0.70 1.10 -0.45 1.25 4.39 -0.91 -0.04 114.58 120.63 1up6 h GLU 402 Ca 0.33 -0.20 -0.01 0.00 0.34 0.00 0.00 59.36 59.82 1up6 h GLU 402 Cb 0.24 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 1up6 h GLU 402 CO -0.21 0.91 0.25 1.49 -1.16 0.00 0.00 179.01 180.29 1up6 h GLU 403 N 1.06 0.62 -0.60 2.33 4.81 -1.03 -0.29 114.58 121.49 1up6 h GLU 403 Ca 0.25 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1up6 h GLU 403 Cb 0.22 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 1up6 h GLU 403 CO -0.02 0.49 0.38 0.82 -0.73 0.00 0.00 179.01 179.95 1up6 h ILE 404 N 0.59 1.16 -0.26 2.32 2.04 -0.83 -2.03 117.51 120.50 1up6 h ILE 404 Ca 0.16 -0.33 -0.15 0.00 1.00 0.00 0.00 64.86 65.54 1up6 h ILE 404 Cb 0.04 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.43 1up6 h ILE 404 CO -0.03 0.16 -0.45 -0.07 0.00 0.00 0.00 178.15 177.76 1up6 h LEU 405 N 0.81 0.71 -0.68 1.44 3.38 -0.70 -1.99 115.31 118.28 1up6 h LEU 405 Ca 0.22 -0.34 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 1up6 h LEU 405 Cb -0.06 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 1up6 h LEU 405 CO -0.04 1.06 0.21 -0.08 0.09 0.00 0.00 178.44 179.67 1up6 h GLU 406 N 0.53 1.05 0.00 1.13 4.57 -1.00 -1.71 114.58 119.15 1up6 h GLU 406 Ca 0.03 -0.23 -0.11 0.00 -1.18 0.00 0.00 59.36 57.88 1up6 h GLU 406 Cb 0.99 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 29.42 1up6 h GLU 406 CO 0.09 0.91 -0.50 0.00 -1.18 0.00 0.00 179.01 178.33 1up6 h ALA 407 N 1.09 1.07 -0.51 2.92 0.00 -1.17 -3.09 119.26 119.56 1up6 h ALA 407 Ca 0.22 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1up6 h ALA 407 Cb 0.30 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1up6 h ALA 407 CO -0.01 0.63 0.00 0.09 0.00 0.00 0.00 179.25 179.96 1up6 n ASN 408 N -3.79 4.81 0.27 0.00 3.02 -0.76 -4.66 115.26 114.14 1up6 n ASN 408 Ca -0.01 -2.73 0.18 0.00 -0.03 0.00 0.00 54.58 51.99 1up6 n ASN 408 Cb 0.54 -0.59 0.97 0.00 -0.61 0.00 0.00 39.78 40.10 1up6 n ASN 408 CO 0.00 0.00 0.00 0.08 -2.62 0.00 0.00 177.26 174.72 1up6 h ARG 409 N 3.40 0.00 0.00 3.52 0.11 -1.23 0.08 114.38 120.26 1up6 h ARG 409 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1up6 h ARG 409 Cb 1.60 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.68 1up6 h ARG 409 CO 0.31 0.00 -0.13 0.93 0.10 0.00 0.00 179.97 181.18 1up6 h GLU 410 N 0.00 0.00 0.00 0.08 5.08 -1.87 -3.38 114.58 114.49 1up6 h GLU 410 Ca 0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 1up6 h GLU 410 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1up6 h GLU 410 CO 0.00 0.00 -1.42 0.66 -1.00 0.00 0.00 179.01 177.25 1up6 n TYR 411 N -2.41 0.00 -3.63 4.33 4.01 -0.02 -5.04 117.16 114.41 1up6 n TYR 411 Ca 0.05 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.66 1up6 n TYR 411 Cb 0.45 -0.25 -0.07 0.00 -0.31 0.00 0.00 39.34 39.16 1up6 n TYR 411 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1up6 s VAL 412 N -2.40 0.00 -0.10 -0.72 0.11 -1.02 -4.82 120.40 111.46 1up6 s VAL 412 Ca -0.03 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.04 1up6 s VAL 412 Cb 0.04 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.90 1up6 s VAL 412 CO 0.32 0.00 -0.17 -0.75 -3.33 0.00 0.00 175.10 171.17 1up6 s LYS 413 N 0.23 2.34 -0.02 1.54 2.20 -1.26 -4.38 119.74 120.40 1up6 s LYS 413 Ca 0.00 -0.62 0.06 0.00 -0.36 0.00 0.00 55.97 55.05 1up6 s LYS 413 Cb -0.05 -1.90 -0.03 0.00 -1.51 0.00 0.00 37.83 34.35 1up6 s LYS 413 CO -0.00 0.03 -0.19 -0.51 -0.36 0.00 0.00 175.35 174.31 1up6 s LEU 414 N 0.73 2.50 0.00 5.43 1.02 -1.26 -4.84 118.68 122.26 1up6 s LEU 414 Ca -0.12 -0.33 0.00 0.00 0.02 0.00 0.00 54.13 53.71 1up6 s LEU 414 Cb -0.16 -1.48 0.00 0.00 0.02 0.00 0.00 46.19 44.57 1up6 s LEU 414 CO 0.02 0.32 0.33 0.61 0.02 0.00 0.00 176.35 177.65