#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1up4 s ILE 3 N 0.00 3.68 -0.11 5.15 1.01 -0.63 -0.62 121.20 129.68 1up4 s ILE 3 Ca 0.00 -0.43 -0.07 0.00 0.00 0.00 0.00 60.65 60.16 1up4 s ILE 3 Cb 0.00 -2.62 -0.04 0.00 0.01 0.00 0.00 42.46 39.81 1up4 s ILE 3 CO 0.00 0.48 0.14 0.00 0.00 0.00 0.00 174.94 175.56 1up4 s ALA 4 N 0.60 3.88 -0.24 9.38 0.00 -0.06 -0.84 121.76 134.48 1up4 s ALA 4 Ca -0.03 -0.65 0.02 0.00 0.00 0.00 0.00 51.96 51.30 1up4 s ALA 4 Cb -0.15 -1.96 0.05 0.00 0.00 0.00 0.00 23.12 21.07 1up4 s ALA 4 CO 0.03 0.63 -0.11 0.08 0.00 0.00 0.00 175.76 176.39 1up4 s VAL 5 N -1.05 1.96 -0.39 0.00 1.01 0.26 -0.68 120.40 121.52 1up4 s VAL 5 Ca 0.16 -1.41 -0.16 0.00 0.00 0.00 0.00 61.98 60.57 1up4 s VAL 5 Cb -0.12 -2.07 0.01 0.00 0.00 0.00 0.00 36.38 34.20 1up4 s VAL 5 CO 0.05 0.04 0.38 -0.63 0.00 0.00 0.00 175.10 174.94 1up4 s ILE 6 N 1.21 5.15 0.00 2.22 -1.09 0.57 -1.13 121.20 128.13 1up4 s ILE 6 Ca -0.06 -0.25 0.00 0.00 -2.23 0.00 0.00 60.65 58.11 1up4 s ILE 6 Cb -0.19 -3.93 0.00 0.00 -1.58 0.00 0.00 42.46 36.76 1up4 s ILE 6 CO -0.06 -0.27 0.00 0.61 -1.23 0.00 0.00 174.94 173.99 1up4 n GLY 7 N 5.06 0.79 0.31 6.18 0.00 0.22 -1.17 105.19 116.58 1up4 n GLY 7 Ca -0.09 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.08 1up4 n GLY 7 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1up4 h GLY 8 N 0.00 0.00 0.35 -0.02 0.00 -1.43 -1.83 103.07 100.14 1up4 h GLY 8 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1up4 h GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1up4 n GLY 9 N -1.46 -0.97 3.77 4.60 0.00 -1.26 -4.75 105.19 105.12 1up4 n GLY 9 Ca 0.00 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 1up4 n GLY 9 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1up4 s SER 10 N -1.37 6.55 0.00 1.61 0.15 -0.69 -4.79 113.70 115.16 1up4 s SER 10 Ca 0.16 2.86 0.12 0.00 0.70 0.00 0.00 55.95 59.79 1up4 s SER 10 Cb 0.07 -2.65 0.56 0.00 -1.71 0.00 0.00 66.02 62.29 1up4 s SER 10 CO 0.12 -0.73 1.29 -1.54 1.20 0.00 0.00 173.24 173.59 1up4 n SER 11 N 0.93 0.00 0.03 5.45 3.41 -1.26 -1.61 113.62 120.57 1up4 n SER 11 Ca 0.02 0.20 0.12 0.00 -0.26 0.00 0.00 58.87 58.94 1up4 n SER 11 Cb 0.40 -0.33 0.21 0.00 -0.26 0.00 0.00 64.21 64.24 1up4 n SER 11 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1up4 n TYR 12 N -1.33 0.28 -0.16 7.33 4.01 -1.26 -4.49 117.16 121.54 1up4 n TYR 12 Ca 0.05 0.08 -0.02 0.00 -0.16 0.00 0.00 57.90 57.85 1up4 n TYR 12 Cb 0.10 -0.47 0.06 0.00 -0.31 0.00 0.00 39.34 38.72 1up4 n TYR 12 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 1up4 h THR 13 N 0.00 0.62 -0.69 -0.72 2.02 -1.60 -1.97 112.91 110.58 1up4 h THR 13 Ca 0.00 -0.04 0.15 0.00 0.77 0.00 0.00 66.41 67.28 1up4 h THR 13 Cb 0.63 0.48 -0.11 0.00 -1.74 0.00 0.00 68.15 67.42 1up4 h THR 13 CO 0.00 0.02 0.11 -0.65 0.37 0.00 0.00 175.52 175.37 1up4 h PRO 14 N 0.13 0.21 -0.81 6.66 0.11 -1.82 0.72 132.00 137.19 1up4 h PRO 14 Ca 0.25 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.32 1up4 h PRO 14 Cb 0.37 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 31.40 1up4 h PRO 14 CO -0.41 0.14 0.37 0.93 -0.21 0.00 0.00 178.00 178.82 1up4 h GLU 15 N 0.21 1.17 -0.28 1.05 4.39 -1.68 0.14 114.58 119.58 1up4 h GLU 15 Ca 0.38 -0.18 0.01 0.00 0.34 0.00 0.00 59.36 59.90 1up4 h GLU 15 Cb 0.63 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 29.06 1up4 h GLU 15 CO -0.51 0.91 0.17 1.25 -1.16 0.00 0.00 179.01 179.67 1up4 h LEU 16 N 1.15 0.28 -0.84 1.33 5.85 -0.68 -1.37 115.31 121.02 1up4 h LEU 16 Ca 0.28 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.95 1up4 h LEU 16 Cb 0.14 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 1up4 h LEU 16 CO -0.03 0.20 0.35 0.58 -0.34 0.00 0.00 178.44 179.20 1up4 h VAL 17 N 0.34 1.26 -0.53 1.05 2.07 -0.60 -0.06 116.25 119.79 1up4 h VAL 17 Ca 0.11 -0.79 0.09 0.00 0.82 0.00 0.00 66.70 66.93 1up4 h VAL 17 Cb -0.01 0.26 -0.07 0.00 -1.52 0.00 0.00 31.29 29.94 1up4 h VAL 17 CO -0.05 0.33 0.11 0.50 0.02 0.00 0.00 177.57 178.48 1up4 h LYS 18 N 1.18 0.24 -0.52 1.57 3.64 -0.54 0.14 116.57 122.28 1up4 h LYS 18 Ca 0.28 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.65 1up4 h LYS 18 Cb 0.18 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.92 1up4 h LYS 18 CO -0.03 0.16 0.33 0.78 -2.27 0.00 0.00 179.45 178.43 1up4 h GLY 19 N 0.25 0.73 1.23 5.01 0.00 -0.30 -0.23 103.07 109.76 1up4 h GLY 19 Ca 0.27 -0.26 -0.05 0.00 0.00 0.00 0.00 47.33 47.29 1up4 h GLY 19 CO -0.34 0.24 0.21 1.41 0.00 0.00 0.00 176.54 178.06 1up4 h LEU 20 N 0.67 0.90 -0.65 3.11 3.38 -0.20 -1.99 115.31 120.54 1up4 h LEU 20 Ca 0.20 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 1up4 h LEU 20 Cb -0.04 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 1up4 h LEU 20 CO -0.06 0.84 0.04 -0.07 0.09 0.00 0.00 178.44 179.27 1up4 h LEU 21 N 0.95 1.06 -0.79 1.67 3.38 -0.23 -1.86 115.31 119.49 1up4 h LEU 21 Ca 0.21 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1up4 h LEU 21 Cb 0.25 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 1up4 h LEU 21 CO -0.01 1.09 0.47 0.44 0.09 0.00 0.00 178.44 180.52 1up4 h ASP 22 N 1.00 0.95 1.44 -0.43 3.32 -0.34 -2.65 116.42 119.72 1up4 h ASP 22 Ca 0.18 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.17 1up4 h ASP 22 Cb 0.52 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.83 1up4 h ASP 22 CO 0.03 0.74 -0.07 0.16 -1.72 0.00 0.00 179.24 178.37 1up4 h ILE 23 N 1.08 0.00 0.00 0.35 3.07 -1.38 -3.32 117.51 117.31 1up4 h ILE 23 Ca 0.28 -0.51 0.00 0.00 1.55 0.00 0.00 64.86 66.18 1up4 h ILE 23 Cb -0.04 1.47 0.00 0.00 -0.27 0.00 0.00 36.82 37.98 1up4 h ILE 23 CO -0.05 0.00 0.00 -1.54 -1.05 0.00 0.00 178.15 175.51 1up4 n SER 24 N -2.30 0.00 -0.02 2.16 3.41 -0.70 -1.20 113.62 114.96 1up4 n SER 24 Ca 0.05 -0.19 -0.07 0.00 -0.26 0.00 0.00 58.87 58.40 1up4 n SER 24 Cb 0.44 -0.08 -0.13 0.00 -0.26 0.00 0.00 64.21 64.17 1up4 n SER 24 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1up4 n GLU 25 N -1.08 0.64 0.06 4.33 -0.58 -1.25 -4.26 120.64 118.49 1up4 n GLU 25 Ca 0.07 0.24 0.11 0.00 -0.42 0.00 0.00 57.16 57.16 1up4 n GLU 25 Cb 0.05 -1.76 -0.06 0.00 -0.57 0.00 0.00 31.44 29.10 1up4 n GLU 25 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1up4 n ASP 26 N -2.97 0.53 -3.92 1.62 8.00 -0.34 -4.95 116.55 114.52 1up4 n ASP 26 Ca -0.17 0.18 -0.12 0.00 0.71 0.00 0.00 54.79 55.39 1up4 n ASP 26 Cb 1.02 1.02 -0.13 0.00 -0.02 0.00 0.00 41.12 43.01 1up4 n ASP 26 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1up4 s VAL 27 N -3.41 0.11 -0.15 2.53 1.01 -0.57 -5.02 120.40 114.90 1up4 s VAL 27 Ca -0.03 -0.35 -0.29 0.00 0.00 0.00 0.00 61.98 61.30 1up4 s VAL 27 Cb 0.11 -0.16 -0.01 0.00 0.00 0.00 0.00 36.38 36.33 1up4 s VAL 27 CO 0.83 -0.15 1.10 -0.60 0.00 0.00 0.00 175.10 176.28 1up4 s ARG 28 N -0.53 4.32 -0.13 2.72 6.06 -1.26 -4.21 118.95 125.92 1up4 s ARG 28 Ca -0.05 1.48 -0.00 0.00 -2.50 0.00 0.00 55.73 54.66 1up4 s ARG 28 Cb -0.04 -3.61 0.02 0.00 0.06 0.00 0.00 34.95 31.38 1up4 s ARG 28 CO -0.00 -0.51 -0.11 0.42 -2.50 0.00 0.00 175.30 172.60 1up4 s ILE 29 N 2.69 1.31 -0.13 4.11 1.01 -1.26 -4.94 121.20 123.99 1up4 s ILE 29 Ca 0.49 -0.48 -0.08 0.00 0.00 0.00 0.00 60.65 60.58 1up4 s ILE 29 Cb -0.19 -1.28 -0.26 0.00 0.01 0.00 0.00 42.46 40.75 1up4 s ILE 29 CO 0.14 0.41 0.35 0.47 0.00 0.00 0.00 174.94 176.31 1up4 n ASP 30 N 4.85 2.10 -3.69 3.58 8.00 -1.26 -4.71 116.55 125.42 1up4 n ASP 30 Ca -0.15 0.23 -0.14 0.00 0.71 0.00 0.00 54.79 55.45 1up4 n ASP 30 Cb 0.50 -0.88 -0.09 0.00 -0.02 0.00 0.00 41.12 40.63 1up4 n ASP 30 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 1up4 s GLU 31 N -2.54 0.67 -0.17 -1.24 -1.05 -1.26 -1.35 118.70 111.75 1up4 s GLU 31 Ca -0.23 0.45 0.00 0.00 -0.15 0.00 0.00 54.97 55.04 1up4 s GLU 31 Cb 0.07 0.32 0.01 0.00 -0.44 0.00 0.00 34.13 34.08 1up4 s GLU 31 CO 0.75 -0.13 -0.16 0.08 0.95 0.00 0.00 175.26 176.75 1up4 s VAL 32 N -0.28 2.50 -0.09 1.83 1.01 0.22 -1.60 120.40 124.01 1up4 s VAL 32 Ca -0.04 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.14 1up4 s VAL 32 Cb -0.03 -2.06 -0.02 0.00 0.00 0.00 0.00 36.38 34.26 1up4 s VAL 32 CO 0.03 0.51 -0.12 -0.51 0.00 0.00 0.00 175.10 175.01 1up4 s ILE 33 N 1.04 3.24 -0.02 2.22 2.07 -0.02 -1.20 121.20 128.53 1up4 s ILE 33 Ca -0.01 -0.63 0.03 0.00 -1.41 0.00 0.00 60.65 58.63 1up4 s ILE 33 Cb -0.15 -2.32 -0.03 0.00 0.13 0.00 0.00 42.46 40.09 1up4 s ILE 33 CO -0.04 0.56 -0.10 -0.36 -1.91 0.00 0.00 174.94 173.09 1up4 s PHE 34 N -0.32 2.81 -0.02 3.50 0.40 0.99 -0.58 117.98 124.76 1up4 s PHE 34 Ca 0.03 -0.08 0.01 0.00 -0.60 0.00 0.00 56.93 56.30 1up4 s PHE 34 Cb -0.13 -1.62 0.01 0.00 0.51 0.00 0.00 43.02 41.79 1up4 s PHE 34 CO 0.02 0.30 -0.05 -0.47 0.70 0.00 0.00 175.22 175.72 1up4 s TYR 35 N -0.87 0.60 -0.02 0.36 5.04 -0.29 -1.42 117.35 120.75 1up4 s TYR 35 Ca 0.14 -0.13 -0.14 0.00 -2.44 0.00 0.00 57.07 54.50 1up4 s TYR 35 Cb -0.11 -0.47 0.02 0.00 0.35 0.00 0.00 41.96 41.76 1up4 s TYR 35 CO 0.04 -0.08 0.30 0.34 -1.34 0.00 0.00 175.55 174.80 1up4 s ASP 36 N 0.33 -0.18 0.12 4.32 -1.08 -1.26 0.71 116.67 119.63 1up4 s ASP 36 Ca -0.04 0.10 0.25 0.00 -0.52 0.00 0.00 52.55 52.34 1up4 s ASP 36 Cb -0.08 0.32 0.95 0.00 -1.46 0.00 0.00 42.92 42.65 1up4 s ASP 36 CO -0.00 -0.42 1.77 2.30 0.52 0.00 0.00 175.17 179.33 1up4 n ILE 37 N 1.38 0.51 -3.57 4.11 -5.35 -1.26 -4.22 119.36 110.96 1up4 n ILE 37 Ca -0.21 -0.02 -0.40 0.00 -0.27 0.00 0.00 62.75 61.85 1up4 n ILE 37 Cb 0.56 -0.72 -0.06 0.00 -1.74 0.00 0.00 39.64 37.68 1up4 n ILE 37 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1up4 s ASP 38 N -3.77 6.01 0.27 7.28 -1.08 -1.26 -4.95 116.67 119.17 1up4 s ASP 38 Ca 0.10 -3.16 -0.01 0.00 -0.52 0.00 0.00 52.55 48.96 1up4 s ASP 38 Cb 0.13 -1.99 0.47 0.00 -1.46 0.00 0.00 42.92 40.08 1up4 s ASP 38 CO 0.49 -0.35 1.85 -0.33 0.52 0.00 0.00 175.17 177.35 1up4 h GLU 39 N 6.85 1.00 -0.21 4.34 5.08 -2.00 -2.25 114.58 127.38 1up4 h GLU 39 Ca 0.08 -0.06 -0.19 0.00 -1.00 0.00 0.00 59.36 58.20 1up4 h GLU 39 Cb 0.92 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.95 1up4 h GLU 39 CO 0.79 0.66 -0.61 0.93 -1.00 0.00 0.00 179.01 179.78 1up4 h GLU 40 N 1.03 0.72 -0.19 2.33 5.08 -1.96 -1.21 114.58 120.38 1up4 h GLU 40 Ca 0.46 -0.49 0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1up4 h GLU 40 Cb 0.35 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 1up4 h GLU 40 CO -0.23 1.12 0.05 -0.22 -1.00 0.00 0.00 179.01 178.73 1up4 h LYS 41 N 0.54 0.14 -0.49 2.33 3.64 -1.88 -3.06 116.57 117.78 1up4 h LYS 41 Ca -0.00 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.31 1up4 h LYS 41 Cb 1.20 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.97 1up4 h LYS 41 CO 0.12 0.09 0.09 0.37 -2.27 0.00 0.00 179.45 177.85 1up4 h GLN 42 N 0.14 0.77 -0.89 1.90 4.15 -1.24 -2.85 115.11 117.09 1up4 h GLN 42 Ca 0.08 -0.16 0.09 0.00 0.77 0.00 0.00 58.65 59.43 1up4 h GLN 42 Cb 0.06 -0.11 -0.07 0.00 0.21 0.00 0.00 27.48 27.57 1up4 h GLN 42 CO -0.10 0.72 0.54 0.87 -1.93 0.00 0.00 178.83 178.92 1up4 h LYS 43 N 0.73 0.88 -0.03 1.69 1.79 -1.12 0.17 116.57 120.68 1up4 h LYS 43 Ca 0.16 -0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 58.57 1up4 h LYS 43 Cb 0.32 -0.20 -0.00 0.00 -1.58 0.00 0.00 32.23 30.77 1up4 h LYS 43 CO 0.00 0.58 0.01 0.82 -1.08 0.00 0.00 179.45 179.78 1up4 h ILE 44 N 0.90 1.15 0.12 1.86 2.04 -1.48 -0.79 117.51 121.31 1up4 h ILE 44 Ca 0.42 -0.46 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 1up4 h ILE 44 Cb 0.34 1.41 0.00 0.00 -0.74 0.00 0.00 36.82 37.83 1up4 h ILE 44 CO -0.23 0.12 -0.06 0.58 0.00 0.00 0.00 178.15 178.57 1up4 h VAL 45 N -0.13 1.03 -0.16 1.67 2.07 -1.35 -2.86 116.25 116.52 1up4 h VAL 45 Ca 0.01 -0.62 -0.05 0.00 0.82 0.00 0.00 66.70 66.86 1up4 h VAL 45 Cb 0.19 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 1up4 h VAL 45 CO -0.00 0.15 -0.14 0.58 0.02 0.00 0.00 177.57 178.17 1up4 h VAL 46 N -0.44 1.19 -0.89 2.57 2.07 -0.71 0.55 116.25 120.59 1up4 h VAL 46 Ca -0.02 -0.85 0.04 0.00 0.82 0.00 0.00 66.70 66.69 1up4 h VAL 46 Cb 0.36 1.23 -0.05 0.00 -1.52 0.00 0.00 31.29 31.31 1up4 h VAL 46 CO 0.03 0.27 0.58 0.44 0.02 0.00 0.00 177.57 178.91 1up4 h ASP 47 N 0.25 0.94 -0.17 0.57 3.32 -1.11 -1.02 116.42 119.20 1up4 h ASP 47 Ca 0.05 -0.01 -0.16 0.00 0.02 0.00 0.00 57.03 56.94 1up4 h ASP 47 Cb 0.41 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1up4 h ASP 47 CO 0.02 0.63 -0.51 0.15 -1.72 0.00 0.00 179.24 177.82 1up4 h PHE 48 N 1.08 0.85 -0.62 4.55 3.57 -0.91 -3.14 116.94 122.32 1up4 h PHE 48 Ca 0.36 -0.34 0.07 0.00 3.53 0.00 0.00 57.97 61.60 1up4 h PHE 48 Cb 0.07 -0.15 -0.06 0.00 2.79 0.00 0.00 35.95 38.61 1up4 h PHE 48 CO -0.00 1.12 0.29 0.28 -2.23 0.00 0.00 178.31 177.77 1up4 h VAL 49 N 0.33 0.87 -0.53 1.41 2.07 -0.56 -2.16 116.25 117.67 1up4 h VAL 49 Ca -0.01 -0.18 0.02 0.00 0.82 0.00 0.00 66.70 67.35 1up4 h VAL 49 Cb 1.13 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 1up4 h VAL 49 CO 0.11 0.10 0.35 0.11 0.02 0.00 0.00 177.57 178.26 1up4 h LYS 50 N 0.53 0.63 -0.06 1.57 1.57 -1.15 0.86 116.57 120.51 1up4 h LYS 50 Ca 0.29 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.92 1up4 h LYS 50 Cb 0.27 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1up4 h LYS 50 CO -0.23 0.42 -0.49 0.00 -0.57 0.00 0.00 179.45 178.57 1up4 h ARG 51 N 0.65 0.16 0.10 3.15 3.08 -1.36 -2.49 114.38 117.67 1up4 h ARG 51 Ca 0.21 -0.09 -0.28 0.00 0.07 0.00 0.00 59.98 59.89 1up4 h ARG 51 Cb 0.03 0.01 0.03 0.00 0.08 0.00 0.00 29.97 30.12 1up4 h ARG 51 CO -0.05 0.62 -1.14 -0.07 -1.07 0.00 0.00 179.97 178.27 1up4 h LEU 52 N 0.13 0.83 -0.34 3.04 3.38 -0.99 -3.36 115.31 118.00 1up4 h LEU 52 Ca 0.00 -0.82 -0.13 0.00 0.09 0.00 0.00 57.88 57.02 1up4 h LEU 52 Cb 0.92 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1up4 h LEU 52 CO 0.07 1.56 -0.31 0.58 0.09 0.00 0.00 178.44 180.43 1up4 h VAL 53 N 0.21 1.29 -6.28 1.22 2.07 -0.86 -3.48 116.25 110.43 1up4 h VAL 53 Ca -0.17 -1.47 -0.46 0.00 0.82 0.00 0.00 66.70 65.42 1up4 h VAL 53 Cb 1.82 1.47 0.00 0.00 -1.52 0.00 0.00 31.29 33.06 1up4 h VAL 53 CO 0.22 0.48 -0.86 0.29 0.02 0.00 0.00 177.57 177.72 1up4 n LYS 54 N -4.19 -4.16 -1.44 1.57 5.02 -0.94 -2.44 118.16 111.58 1up4 n LYS 54 Ca -0.03 0.52 -0.15 0.00 -2.02 0.00 0.00 58.31 56.63 1up4 n LYS 54 Cb 0.49 -4.87 -0.06 0.00 -0.02 0.00 0.00 35.03 30.56 1up4 n LYS 54 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1up4 n ASP 55 N -3.03 -4.88 0.12 4.39 8.00 -1.26 -4.86 116.55 115.02 1up4 n ASP 55 Ca -0.31 0.37 -0.02 0.00 0.71 0.00 0.00 54.79 55.54 1up4 n ASP 55 Cb 0.68 -3.71 0.12 0.00 -0.02 0.00 0.00 41.12 38.19 1up4 n ASP 55 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1up4 h ARG 56 N 0.01 0.01 -4.18 -1.24 3.08 -1.88 -3.45 114.38 106.74 1up4 h ARG 56 Ca -0.31 -0.01 -0.23 0.00 0.07 0.00 0.00 59.98 59.50 1up4 h ARG 56 Cb 1.01 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 30.96 1up4 h ARG 56 CO 0.45 0.69 -0.30 -0.59 -1.07 0.00 0.00 179.97 179.16 1up4 s PHE 57 N -3.47 0.97 0.00 3.04 -0.12 -1.26 -4.98 117.98 112.16 1up4 s PHE 57 Ca -0.01 -1.20 -0.27 0.00 -0.05 0.00 0.00 56.93 55.40 1up4 s PHE 57 Cb 0.12 -0.18 -0.04 0.00 -0.63 0.00 0.00 43.02 42.29 1up4 s PHE 57 CO 0.77 -0.96 0.85 0.15 -0.05 0.00 0.00 175.22 175.98 1up4 s LYS 58 N -3.59 4.53 -0.25 1.99 1.02 -0.46 -4.93 119.74 118.05 1up4 s LYS 58 Ca 0.31 1.19 -0.07 0.00 0.02 0.00 0.00 55.97 57.42 1up4 s LYS 58 Cb 0.01 -3.43 -0.03 0.00 -0.52 0.00 0.00 37.83 33.87 1up4 s LYS 58 CO 0.16 0.09 0.06 0.08 -0.92 0.00 0.00 175.35 174.82 1up4 s VAL 59 N 0.59 4.18 0.09 3.17 1.01 -1.26 -0.61 120.40 127.58 1up4 s VAL 59 Ca 0.44 -0.22 0.08 0.00 0.00 0.00 0.00 61.98 62.28 1up4 s VAL 59 Cb -0.20 -2.95 -0.03 0.00 0.00 0.00 0.00 36.38 33.19 1up4 s VAL 59 CO 0.24 0.35 -0.20 -0.76 0.00 0.00 0.00 175.10 174.73 1up4 s LEU 60 N 1.60 2.29 -0.09 3.92 1.43 -0.34 -5.00 118.68 122.49 1up4 s LEU 60 Ca 0.06 -0.67 0.02 0.00 -1.03 0.00 0.00 54.13 52.52 1up4 s LEU 60 Cb -0.15 -0.82 -0.02 0.00 0.03 0.00 0.00 46.19 45.23 1up4 s LEU 60 CO 0.03 0.04 -0.14 -0.63 0.23 0.00 0.00 176.35 175.87 1up4 s ILE 61 N -1.17 2.99 -0.09 -0.59 1.01 -1.26 -0.01 121.20 122.09 1up4 s ILE 61 Ca 0.05 -0.72 -0.01 0.00 0.00 0.00 0.00 60.65 59.97 1up4 s ILE 61 Cb -0.10 -2.21 -0.03 0.00 0.01 0.00 0.00 42.46 40.13 1up4 s ILE 61 CO 0.04 0.56 -0.02 -0.55 0.00 0.00 0.00 174.94 174.97 1up4 s SER 62 N -0.22 5.03 0.46 3.58 0.15 -0.51 -4.89 113.70 117.30 1up4 s SER 62 Ca 0.01 0.07 0.25 0.00 0.70 0.00 0.00 55.95 56.98 1up4 s SER 62 Cb -0.13 -1.41 0.64 0.00 -1.71 0.00 0.00 66.02 63.41 1up4 s SER 62 CO 0.03 0.35 1.71 0.44 1.20 0.00 0.00 173.24 176.98 1up4 h ASP 63 N 5.33 0.00 -3.42 5.45 3.32 -1.96 -3.43 116.42 121.71 1up4 h ASP 63 Ca -0.48 0.00 -0.47 0.00 0.02 0.00 0.00 57.03 56.10 1up4 h ASP 63 Cb 1.19 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 40.58 1up4 h ASP 63 CO 0.55 0.06 -0.75 0.42 -1.72 0.00 0.00 179.24 177.79 1up4 s THR 64 N -3.35 1.71 0.09 0.35 -4.23 -1.26 -5.00 115.64 103.95 1up4 s THR 64 Ca 0.05 -2.06 -0.25 0.00 -1.18 0.00 0.00 61.69 58.25 1up4 s THR 64 Cb 0.07 -1.92 -0.16 0.00 1.34 0.00 0.00 72.50 71.84 1up4 s THR 64 CO 0.64 -0.49 1.72 0.15 -0.54 0.00 0.00 174.62 176.10 1up4 h PHE 65 N 2.89 -0.13 -0.73 3.99 3.57 -1.98 -2.95 116.94 121.60 1up4 h PHE 65 Ca -0.39 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.16 1up4 h PHE 65 Cb 1.21 0.04 -0.06 0.00 2.79 0.00 0.00 35.95 39.94 1up4 h PHE 65 CO 0.70 -0.08 0.42 1.49 -2.23 0.00 0.00 178.31 178.61 1up4 h GLU 66 N -0.14 0.75 -0.62 1.11 4.81 -1.98 -1.16 114.58 117.35 1up4 h GLU 66 Ca -0.01 -0.05 0.14 0.00 -0.13 0.00 0.00 59.36 59.31 1up4 h GLU 66 Cb 0.11 -0.17 -0.04 0.00 0.63 0.00 0.00 28.75 29.28 1up4 h GLU 66 CO 0.02 0.50 0.43 0.78 -0.73 0.00 0.00 179.01 180.01 1up4 h GLY 67 N 0.77 0.40 0.88 1.92 0.00 -1.95 -0.43 103.07 104.67 1up4 h GLY 67 Ca 0.32 -0.11 -0.21 0.00 0.00 0.00 0.00 47.33 47.34 1up4 h GLY 67 CO -0.18 0.05 -0.87 0.00 0.00 0.00 0.00 176.54 175.54 1up4 h ALA 68 N 1.70 -0.02 0.00 3.60 0.00 -1.06 -3.36 119.26 120.12 1up4 h ALA 68 Ca 0.30 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1up4 h ALA 68 Cb 0.82 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1up4 h ALA 68 CO -0.06 0.45 -0.87 1.33 0.00 0.00 0.00 179.25 180.10 1up4 n VAL 69 N -4.06 0.37 -0.26 0.00 0.24 -0.95 -4.47 118.33 109.19 1up4 n VAL 69 Ca -0.13 -0.35 0.06 0.00 -2.04 0.00 0.00 64.34 61.89 1up4 n VAL 69 Cb 0.82 -0.09 0.20 0.00 -1.47 0.00 0.00 33.84 33.30 1up4 n VAL 69 CO 0.00 0.00 0.00 1.62 -2.14 0.00 0.00 176.83 176.31 1up4 h VAL 70 N 0.00 0.59 -0.37 3.34 3.04 -1.24 -1.81 116.25 119.79 1up4 h VAL 70 Ca 0.00 -0.13 -0.16 0.00 -1.01 0.00 0.00 66.70 65.40 1up4 h VAL 70 Cb 0.82 0.18 -0.10 0.00 -2.01 0.00 0.00 31.29 30.18 1up4 h VAL 70 CO 0.00 0.07 -0.01 0.47 -1.01 0.00 0.00 177.57 177.09 1up4 n ASP 71 N -5.06 2.90 -4.82 3.17 8.00 -1.26 -3.90 116.55 115.58 1up4 n ASP 71 Ca 0.15 -3.58 -0.38 0.00 0.71 0.00 0.00 54.79 51.69 1up4 n ASP 71 Cb 0.46 -0.63 -0.06 0.00 -0.02 0.00 0.00 41.12 40.87 1up4 n ASP 71 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1up4 s ALA 72 N -3.15 3.62 -0.02 2.24 0.00 -0.68 -4.42 121.76 119.36 1up4 s ALA 72 Ca 0.45 -0.07 0.09 0.00 0.00 0.00 0.00 51.96 52.43 1up4 s ALA 72 Cb 0.40 -2.55 -0.23 0.00 0.00 0.00 0.00 23.12 20.74 1up4 s ALA 72 CO 0.03 0.41 0.77 -0.22 0.00 0.00 0.00 175.76 176.75 1up4 h LYS 73 N 4.70 0.04 -5.12 0.00 3.64 -1.20 -3.39 116.57 115.24 1up4 h LYS 73 Ca -0.50 -0.06 -0.45 0.00 -1.27 0.00 0.00 60.65 58.37 1up4 h LYS 73 Cb 1.21 0.02 -0.29 0.00 -0.41 0.00 0.00 32.23 32.77 1up4 h LYS 73 CO 0.63 0.67 -0.80 0.71 -2.27 0.00 0.00 179.45 178.40 1up4 s TYR 74 N -2.62 1.12 -0.11 1.91 2.02 -1.22 -1.85 117.35 116.60 1up4 s TYR 74 Ca -0.05 -0.22 0.01 0.00 -0.37 0.00 0.00 57.07 56.43 1up4 s TYR 74 Cb 0.08 -0.72 0.02 0.00 -0.40 0.00 0.00 41.96 40.94 1up4 s TYR 74 CO 0.82 -0.01 -0.12 0.08 -1.57 0.00 0.00 175.55 174.74 1up4 s VAL 75 N -0.35 1.34 -0.28 0.71 1.01 0.10 -0.88 120.40 122.05 1up4 s VAL 75 Ca 0.04 -0.52 -0.09 0.00 0.00 0.00 0.00 61.98 61.41 1up4 s VAL 75 Cb -0.05 -1.26 -0.03 0.00 0.00 0.00 0.00 36.38 35.03 1up4 s VAL 75 CO -0.00 0.41 0.14 -0.63 0.00 0.00 0.00 175.10 175.02 1up4 s ILE 76 N 1.27 4.78 -0.30 2.22 1.01 0.15 -0.54 121.20 129.79 1up4 s ILE 76 Ca -0.02 -0.12 -0.23 0.00 0.00 0.00 0.00 60.65 60.28 1up4 s ILE 76 Cb -0.14 -3.32 -0.00 0.00 0.01 0.00 0.00 42.46 39.01 1up4 s ILE 76 CO -0.05 0.22 0.74 -0.36 0.00 0.00 0.00 174.94 175.49 1up4 s PHE 77 N 1.67 3.21 -0.02 3.97 0.40 -0.30 -0.32 117.98 126.60 1up4 s PHE 77 Ca 0.06 0.78 0.20 0.00 -0.60 0.00 0.00 56.93 57.37 1up4 s PHE 77 Cb -0.16 -3.14 0.34 0.00 0.51 0.00 0.00 43.02 40.57 1up4 s PHE 77 CO 0.07 -0.52 1.14 0.00 0.70 0.00 0.00 175.22 176.60 1up4 n GLN 78 N 6.09 0.10 -3.40 0.44 10.64 -0.32 -0.50 117.38 130.44 1up4 n GLN 78 Ca 0.02 -1.84 -0.21 0.00 -1.83 0.00 0.00 57.00 53.14 1up4 n GLN 78 Cb 0.48 0.04 -0.00 0.00 -0.86 0.00 0.00 30.24 29.90 1up4 n GLN 78 CO 0.00 0.00 0.00 -0.59 -1.83 0.00 0.00 177.06 174.64 1up4 s PHE 79 N -0.18 3.26 -0.38 2.61 -0.71 -1.17 -4.72 117.98 116.69 1up4 s PHE 79 Ca 0.26 0.03 0.02 0.00 -1.04 0.00 0.00 56.93 56.20 1up4 s PHE 79 Cb 0.30 -2.00 0.11 0.00 -1.21 0.00 0.00 43.02 40.22 1up4 s PHE 79 CO -0.13 -0.02 0.12 0.50 -1.34 0.00 0.00 175.22 174.36 1up4 s ARG 80 N -4.27 1.33 0.04 1.99 3.52 -1.26 -4.50 118.95 115.80 1up4 s ARG 80 Ca 0.43 -1.81 -0.32 0.00 -0.13 0.00 0.00 55.73 53.91 1up4 s ARG 80 Cb -0.10 -2.78 -0.10 0.00 -1.56 0.00 0.00 34.95 30.41 1up4 s ARG 80 CO 0.33 -1.01 1.89 -2.30 -0.81 0.00 0.00 175.30 173.41 1up4 n PRO 81 N 4.12 2.65 -0.39 5.12 -0.02 -1.26 -0.85 135.00 144.37 1up4 n PRO 81 Ca 0.03 0.97 0.00 0.00 -2.02 0.00 0.00 63.50 62.48 1up4 n PRO 81 Cb 0.39 -2.87 0.00 0.00 -0.02 0.00 0.00 33.50 31.00 1up4 n PRO 81 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1up4 n GLY 82 N 4.37 1.39 7.00 -1.23 0.00 -1.26 -4.84 105.19 110.61 1up4 n GLY 82 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1up4 n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1up4 n GLY 83 N -2.00 0.85 0.14 -0.02 0.00 -0.03 -1.42 105.19 102.71 1up4 n GLY 83 Ca 0.00 -0.84 -0.00 0.00 0.00 0.00 0.00 46.02 45.18 1up4 n GLY 83 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1up4 h LEU 84 N 0.00 0.00 -1.21 0.99 3.38 -1.93 -2.45 115.31 114.10 1up4 h LEU 84 Ca 0.00 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.02 1up4 h LEU 84 Cb 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 1up4 h LEU 84 CO 0.00 0.58 0.55 0.50 0.09 0.00 0.00 178.44 180.17 1up4 h LYS 85 N 0.00 0.96 -0.17 1.13 3.64 -1.96 0.12 116.57 120.29 1up4 h LYS 85 Ca -0.01 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.30 1up4 h LYS 85 Cb 1.07 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.67 1up4 h LYS 85 CO 0.08 0.63 0.04 0.78 -2.27 0.00 0.00 179.45 178.71 1up4 h GLY 86 N 0.99 0.30 0.56 5.01 0.00 -0.78 -2.14 103.07 107.00 1up4 h GLY 86 Ca 0.35 -0.18 0.09 0.00 0.00 0.00 0.00 47.33 47.59 1up4 h GLY 86 CO -0.12 0.17 0.53 -0.09 0.00 0.00 0.00 176.54 177.04 1up4 h ARG 87 N 0.09 0.87 -0.62 4.80 2.43 -1.02 -0.81 114.38 120.13 1up4 h ARG 87 Ca 0.05 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.15 1up4 h ARG 87 Cb 0.26 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 29.58 1up4 h ARG 87 CO 0.00 0.58 0.29 1.49 -1.51 0.00 0.00 179.97 180.81 1up4 h GLU 88 N 0.90 0.90 -0.51 0.20 4.81 -0.58 -0.95 114.58 119.34 1up4 h GLU 88 Ca 0.42 -0.14 0.01 0.00 -0.13 0.00 0.00 59.36 59.52 1up4 h GLU 88 Cb 0.34 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.54 1up4 h GLU 88 CO -0.23 0.73 0.34 -0.91 -0.73 0.00 0.00 179.01 178.20 1up4 h ASN 89 N 0.85 0.58 -0.92 1.04 2.35 -0.94 0.14 115.58 118.68 1up4 h ASN 89 Ca 0.21 -0.01 0.04 0.00 -0.55 0.00 0.00 56.30 55.99 1up4 h ASN 89 Cb 0.14 -0.14 -0.05 0.00 0.05 0.00 0.00 38.32 38.31 1up4 h ASN 89 CO -0.02 0.42 0.60 0.44 -1.65 0.00 0.00 177.43 177.21 1up4 h ASP 90 N 0.68 0.98 0.59 5.81 3.32 -0.64 -0.88 116.42 126.28 1up4 h ASP 90 Ca 0.19 -0.01 -0.28 0.00 0.02 0.00 0.00 57.03 56.95 1up4 h ASP 90 Cb -0.07 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.25 1up4 h ASP 90 CO -0.05 0.66 -1.39 -0.33 -1.72 0.00 0.00 179.24 176.41 1up4 h GLU 91 N 1.13 0.19 0.15 3.56 5.08 -0.93 -3.36 114.58 120.41 1up4 h GLU 91 Ca 0.37 -0.33 -0.22 0.00 -1.00 0.00 0.00 59.36 58.18 1up4 h GLU 91 Cb 0.05 0.12 0.02 0.00 0.50 0.00 0.00 28.75 29.44 1up4 h GLU 91 CO -0.12 1.06 -1.00 0.78 -1.00 0.00 0.00 179.01 178.74 1up4 h GLY 92 N 2.03 0.37 0.93 -3.84 0.00 -0.38 -3.38 103.07 98.80 1up4 h GLY 92 Ca -0.18 -0.95 -0.02 0.00 0.00 0.00 0.00 47.33 46.18 1up4 h GLY 92 CO 0.16 0.83 0.15 -2.22 0.00 0.00 0.00 176.54 175.46 1up4 h ILE 93 N -0.29 1.18 0.00 2.60 2.04 -1.37 -2.95 117.51 118.71 1up4 h ILE 93 Ca -0.18 -0.52 -0.03 0.00 1.00 0.00 0.00 64.86 65.13 1up4 h ILE 93 Cb 1.74 0.90 -0.00 0.00 -0.74 0.00 0.00 36.82 38.71 1up4 h ILE 93 CO 0.16 0.19 -0.13 -0.65 0.00 0.00 0.00 178.15 177.71 1up4 h PRO 94 N 0.40 0.00 -0.75 2.37 0.11 -1.78 -3.12 132.00 129.22 1up4 h PRO 94 Ca 0.11 0.00 0.09 0.00 0.11 0.00 0.00 66.00 66.31 1up4 h PRO 94 Cb 0.16 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.20 1up4 h PRO 94 CO -0.01 0.13 0.41 -0.07 -0.21 0.00 0.00 178.00 178.25 1up4 h LEU 95 N 0.00 0.57 -2.01 2.35 4.07 -1.56 -1.26 115.31 117.46 1up4 h LEU 95 Ca -0.00 0.05 0.00 0.00 0.08 0.00 0.00 57.88 58.01 1up4 h LEU 95 Cb 0.43 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.11 1up4 h LEU 95 CO 0.02 0.33 0.03 0.11 -1.08 0.00 0.00 178.44 177.85 1up4 h LYS 96 N 0.70 0.00 -0.27 1.13 1.57 -1.70 -1.59 116.57 116.41 1up4 h LYS 96 Ca 0.36 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.14 1up4 h LYS 96 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1up4 h LYS 96 CO -0.24 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.30 1up4 n TYR 97 N -2.58 0.34 -2.00 -1.35 4.02 -0.51 -4.93 117.16 110.15 1up4 n TYR 97 Ca -0.02 -0.20 -0.02 0.00 -0.01 0.00 0.00 57.90 57.65 1up4 n TYR 97 Cb 0.07 -0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.39 1up4 n TYR 97 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1up4 n GLY 98 N 1.22 0.28 3.54 2.72 0.00 -0.60 -5.03 105.19 107.33 1up4 n GLY 98 Ca 0.15 -0.79 -0.30 0.00 0.00 0.00 0.00 46.02 45.08 1up4 n GLY 98 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1up4 s LEU 99 N -0.71 2.91 0.06 0.99 1.02 -1.01 -5.04 118.68 116.90 1up4 s LEU 99 Ca 0.00 -0.42 -0.30 0.00 0.02 0.00 0.00 54.13 53.43 1up4 s LEU 99 Cb 0.00 -1.72 -0.09 0.00 0.02 0.00 0.00 46.19 44.40 1up4 s LEU 99 CO 0.00 0.20 1.82 -0.63 0.02 0.00 0.00 176.35 177.76 1up4 s ILE 100 N -1.14 2.95 -0.38 -0.59 -1.09 -1.26 -3.54 121.20 116.15 1up4 s ILE 100 Ca 0.19 0.22 -0.12 0.00 -2.23 0.00 0.00 60.65 58.71 1up4 s ILE 100 Cb -0.11 -3.14 0.03 0.00 -1.58 0.00 0.00 42.46 37.66 1up4 s ILE 100 CO 0.11 -0.01 0.22 -0.83 -1.23 0.00 0.00 174.94 173.21 1up4 s GLY 101 N 3.36 1.94 -0.10 6.18 0.00 -1.26 -4.36 107.32 113.08 1up4 s GLY 101 Ca 0.81 -1.74 -0.13 0.00 0.00 0.00 0.00 44.72 43.66 1up4 s GLY 101 CO 0.36 0.86 0.34 1.62 0.00 0.00 0.00 173.10 176.29 1up4 s GLN 102 N 1.57 0.48 0.32 2.90 -0.44 -1.26 -4.71 119.66 118.51 1up4 s GLN 102 Ca 0.02 0.29 0.09 0.00 -2.50 0.00 0.00 55.36 53.26 1up4 s GLN 102 Cb -0.19 0.23 0.91 0.00 -1.64 0.00 0.00 33.01 32.31 1up4 s GLN 102 CO 0.07 -0.09 1.66 1.49 0.50 0.00 0.00 175.29 178.92 1up4 h GLU 103 N 5.09 0.27 0.00 1.67 4.81 -1.88 -3.21 114.58 121.33 1up4 h GLU 103 Ca -0.27 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 1up4 h GLU 103 Cb 1.18 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.50 1up4 h GLU 103 CO 0.32 0.18 0.00 0.25 -0.73 0.00 0.00 179.01 179.03 1up4 n THR 104 N -5.13 0.00 -5.23 0.32 -2.24 -1.26 -3.92 114.28 96.82 1up4 n THR 104 Ca 0.27 -0.38 -0.31 0.00 -2.27 0.00 0.00 64.05 61.35 1up4 n THR 104 Cb 0.84 1.13 -0.17 0.00 -2.10 0.00 0.00 70.33 70.03 1up4 n THR 104 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1up4 s THR 105 N -0.34 2.02 0.00 4.28 2.01 -1.21 -4.38 115.64 118.03 1up4 s THR 105 Ca 0.00 -1.04 0.00 0.00 0.31 0.00 0.00 61.69 60.96 1up4 s THR 105 Cb 0.00 -1.72 0.00 0.00 0.01 0.00 0.00 72.50 70.79 1up4 s THR 105 CO 0.00 0.56 0.00 0.61 -0.69 0.00 0.00 174.62 175.10 1up4 n GLY 106 N 3.10 0.05 0.38 4.40 0.00 -1.26 -3.69 105.19 108.17 1up4 n GLY 106 Ca -0.18 -0.95 0.16 0.00 0.00 0.00 0.00 46.02 45.06 1up4 n GLY 106 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1up4 h VAL 107 N 0.00 0.68 -0.91 1.61 2.07 -1.80 -0.67 116.25 117.24 1up4 h VAL 107 Ca 0.00 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 1up4 h VAL 107 Cb 0.00 0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 29.75 1up4 h VAL 107 CO 0.00 0.11 0.53 1.23 0.02 0.00 0.00 177.57 179.46 1up4 h GLY 108 N 0.61 1.33 2.00 2.17 0.00 -1.69 -1.73 103.07 105.75 1up4 h GLY 108 Ca 0.54 -0.58 -0.08 0.00 0.00 0.00 0.00 47.33 47.21 1up4 h GLY 108 CO -0.30 0.56 -0.40 -1.33 0.00 0.00 0.00 176.54 175.07 1up4 h GLY 109 N 1.26 0.00 0.99 4.60 0.00 -1.19 -2.26 103.07 106.47 1up4 h GLY 109 Ca 0.32 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.64 1up4 h GLY 109 CO -0.06 0.00 -0.14 -2.75 0.00 0.00 0.00 176.54 173.59 1up4 h PHE 110 N 0.00 -0.37 -0.46 5.60 3.57 -0.87 -1.07 116.94 123.35 1up4 h PHE 110 Ca -0.00 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.37 1up4 h PHE 110 Cb 0.83 0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.68 1up4 h PHE 110 CO 0.00 -0.22 -0.18 0.66 -2.23 0.00 0.00 178.31 176.34 1up4 h SER 111 N -0.41 0.91 -0.70 0.41 4.64 -1.39 -2.03 113.55 114.97 1up4 h SER 111 Ca -0.04 -0.32 0.04 0.00 -0.47 0.00 0.00 61.79 61.00 1up4 h SER 111 Cb 0.32 -0.25 -0.05 0.00 -0.31 0.00 0.00 62.40 62.11 1up4 h SER 111 CO 0.07 1.07 0.43 0.00 -0.87 0.00 0.00 176.83 177.53 1up4 h ALA 112 N 1.00 0.92 -0.28 5.18 0.00 -1.35 -2.00 119.26 122.73 1up4 h ALA 112 Ca 0.11 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1up4 h ALA 112 Cb 0.72 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1up4 h ALA 112 CO 0.06 0.18 0.13 0.00 0.00 0.00 0.00 179.25 179.62 1up4 h ALA 113 N 1.31 0.36 -0.65 0.00 0.00 -0.91 -1.64 119.26 117.73 1up4 h ALA 113 Ca 0.29 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 55.19 1up4 h ALA 113 Cb 0.06 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1up4 h ALA 113 CO -0.13 -0.07 0.43 -0.07 0.00 0.00 0.00 179.25 179.41 1up4 h LEU 114 N 0.32 0.46 -0.69 0.00 3.38 -1.16 -0.55 115.31 117.06 1up4 h LEU 114 Ca 0.10 0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.94 1up4 h LEU 114 Cb 0.13 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1up4 h LEU 114 CO -0.01 0.28 -0.52 0.03 0.09 0.00 0.00 178.44 178.30 1up4 h ARG 115 N 0.51 0.35 0.03 1.13 3.08 -0.87 -3.36 114.38 115.24 1up4 h ARG 115 Ca 0.30 -0.21 -0.06 0.00 0.07 0.00 0.00 59.98 60.08 1up4 h ARG 115 Cb 0.48 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.55 1up4 h ARG 115 CO -0.09 0.79 -0.27 0.00 -1.07 0.00 0.00 179.97 179.33 1up4 h ALA 116 N 1.17 0.00 -0.88 0.04 0.00 -0.22 -3.40 119.26 115.98 1up4 h ALA 116 Ca 0.01 -0.59 0.17 0.00 0.00 0.00 0.00 54.91 54.49 1up4 h ALA 116 Cb 1.01 0.07 -0.16 0.00 0.00 0.00 0.00 17.79 18.71 1up4 h ALA 116 CO 0.09 0.14 -0.24 0.74 0.00 0.00 0.00 179.25 179.97 1up4 h PHE 117 N -0.86 -0.55 -0.78 0.00 0.04 -1.32 0.96 116.94 114.44 1up4 h PHE 117 Ca -0.06 0.08 0.01 0.00 2.80 0.00 0.00 57.97 60.80 1up4 h PHE 117 Cb 1.16 0.38 -0.04 0.00 2.20 0.00 0.00 35.95 39.65 1up4 h PHE 117 CO 0.25 -0.38 0.51 -1.35 -0.60 0.00 0.00 178.31 176.74 1up4 h PRO 118 N -0.01 1.03 -0.23 1.51 0.11 -1.78 0.18 132.00 132.80 1up4 h PRO 118 Ca 0.41 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 66.39 1up4 h PRO 118 Cb 0.64 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.51 1up4 h PRO 118 CO -0.90 0.68 -0.09 0.82 -0.21 0.00 0.00 178.00 178.30 1up4 h ILE 119 N 1.06 1.30 0.00 4.15 2.04 -1.07 -2.22 117.51 122.75 1up4 h ILE 119 Ca 0.28 -1.14 -0.13 0.00 1.00 0.00 0.00 64.86 64.88 1up4 h ILE 119 Cb -0.12 1.56 -0.02 0.00 -0.74 0.00 0.00 36.82 37.50 1up4 h ILE 119 CO -0.06 0.35 -0.60 -0.37 0.00 0.00 0.00 178.15 177.47 1up4 h VAL 120 N 0.19 1.41 0.44 1.67 -1.51 -1.09 0.51 116.25 117.88 1up4 h VAL 120 Ca 0.05 -2.07 -0.02 0.00 -1.23 0.00 0.00 66.70 63.43 1up4 h VAL 120 Cb 0.57 2.12 -0.00 0.00 -2.13 0.00 0.00 31.29 31.86 1up4 h VAL 120 CO 0.03 0.59 -0.25 -0.08 -1.23 0.00 0.00 177.57 176.63 1up4 h GLU 121 N 0.00 -0.63 -0.51 5.19 4.81 -0.85 0.21 114.58 122.81 1up4 h GLU 121 Ca -0.01 0.04 0.10 0.00 -0.13 0.00 0.00 59.36 59.37 1up4 h GLU 121 Cb 1.08 0.14 -0.08 0.00 0.63 0.00 0.00 28.75 30.52 1up4 h GLU 121 CO 0.08 -0.42 0.01 1.49 -0.73 0.00 0.00 179.01 179.44 1up4 h GLU 122 N -0.65 0.12 -0.32 1.92 4.81 -1.23 -0.99 114.58 118.25 1up4 h GLU 122 Ca -0.05 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.09 1up4 h GLU 122 Cb 0.52 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 1up4 h GLU 122 CO 0.07 0.08 -0.10 1.88 -0.73 0.00 0.00 179.01 180.21 1up4 h TYR 123 N 0.13 0.72 -0.64 0.92 0.05 -0.70 -2.09 116.97 115.35 1up4 h TYR 123 Ca 0.26 -0.16 -0.05 0.00 0.05 0.00 0.00 58.73 58.83 1up4 h TYR 123 Cb 0.39 -0.17 -0.03 0.00 1.01 0.00 0.00 36.73 37.93 1up4 h TYR 123 CO -0.31 0.82 0.21 0.28 -1.05 0.00 0.00 178.16 178.12 1up4 h VAL 124 N 0.40 1.25 -0.38 -2.88 2.07 -0.43 -0.89 116.25 115.38 1up4 h VAL 124 Ca 0.08 -0.84 0.05 0.00 0.82 0.00 0.00 66.70 66.81 1up4 h VAL 124 Cb 0.61 0.58 -0.05 0.00 -1.52 0.00 0.00 31.29 30.91 1up4 h VAL 124 CO 0.04 0.32 0.10 -0.78 0.02 0.00 0.00 177.57 177.27 1up4 h ASP 125 N 0.93 0.07 -0.48 0.57 3.58 -1.04 -0.37 116.42 119.67 1up4 h ASP 125 Ca 0.21 0.05 -0.02 0.00 0.42 0.00 0.00 57.03 57.69 1up4 h ASP 125 Cb 0.28 0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.37 1up4 h ASP 125 CO -0.01 0.07 0.20 0.74 -2.88 0.00 0.00 179.24 177.37 1up4 h THR 126 N 0.24 1.20 -0.59 2.25 2.02 -1.11 -1.75 112.91 115.18 1up4 h THR 126 Ca 0.18 -0.62 -0.01 0.00 0.77 0.00 0.00 66.41 66.74 1up4 h THR 126 Cb 0.19 0.71 -0.03 0.00 -1.74 0.00 0.00 68.15 67.29 1up4 h THR 126 CO -0.21 0.23 0.34 0.58 0.37 0.00 0.00 175.52 176.83 1up4 h VAL 127 N 0.63 1.18 -0.36 3.16 2.07 -0.76 -2.33 116.25 119.84 1up4 h VAL 127 Ca 0.16 -0.42 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 1up4 h VAL 127 Cb 0.17 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 1up4 h VAL 127 CO -0.02 0.19 0.14 -0.09 0.02 0.00 0.00 177.57 177.81 1up4 h ARG 128 N 0.79 0.50 -0.01 1.57 2.43 -0.88 -0.90 114.38 117.88 1up4 h ARG 128 Ca 0.21 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1up4 h ARG 128 Cb -0.00 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 1up4 h ARG 128 CO -0.04 0.42 -0.10 1.63 -1.51 0.00 0.00 179.97 180.37 1up4 n LYS 129 N -4.39 1.20 0.00 0.20 5.02 -0.68 -4.52 118.16 114.99 1up4 n LYS 129 Ca 0.02 -0.64 0.00 0.00 -2.02 0.00 0.00 58.31 55.67 1up4 n LYS 129 Cb 0.14 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.66 1up4 n LYS 129 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1up4 n THR 130 N -0.34 0.00 0.47 -0.18 -2.24 -0.79 -4.96 114.28 106.24 1up4 n THR 130 Ca 0.16 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.07 1up4 n THR 130 Cb 0.33 0.00 0.23 0.00 -2.10 0.00 0.00 70.33 68.79 1up4 n THR 130 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1up4 h SER 131 N 0.00 0.00 -6.65 3.42 4.64 -1.56 -3.48 113.55 109.92 1up4 h SER 131 Ca 0.00 -0.07 -0.53 0.00 -0.47 0.00 0.00 61.79 60.71 1up4 h SER 131 Cb 0.00 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 61.95 1up4 h SER 131 CO 0.00 0.04 -0.87 0.59 -0.87 0.00 0.00 176.83 175.72 1up4 n ASN 132 N -2.41 -1.70 -4.84 4.97 3.02 -0.41 -4.93 115.26 108.96 1up4 n ASN 132 Ca 0.04 -1.02 -0.31 0.00 -0.03 0.00 0.00 54.58 53.25 1up4 n ASN 132 Cb 0.47 -2.83 0.03 0.00 -0.61 0.00 0.00 39.78 36.83 1up4 n ASN 132 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1up4 s ALA 133 N -3.67 2.89 -0.02 5.41 0.00 -1.26 -5.01 121.76 120.10 1up4 s ALA 133 Ca 0.36 0.02 -0.30 0.00 0.00 0.00 0.00 51.96 52.03 1up4 s ALA 133 Cb -0.19 -3.13 -0.04 0.00 0.00 0.00 0.00 23.12 19.75 1up4 s ALA 133 CO 0.91 -0.94 1.27 0.99 0.00 0.00 0.00 175.76 177.99 1up4 s THR 134 N -3.08 4.02 -0.23 0.00 2.01 -0.77 -4.88 115.64 112.71 1up4 s THR 134 Ca 0.57 1.39 -0.12 0.00 0.31 0.00 0.00 61.69 63.84 1up4 s THR 134 Cb -0.13 -3.89 -0.05 0.00 0.01 0.00 0.00 72.50 68.45 1up4 s THR 134 CO 0.53 0.02 0.23 -0.63 -0.69 0.00 0.00 174.62 174.08 1up4 s ILE 135 N 2.09 5.31 -0.25 1.82 1.01 -0.26 -0.72 121.20 130.20 1up4 s ILE 135 Ca 0.59 0.32 -0.08 0.00 0.00 0.00 0.00 60.65 61.48 1up4 s ILE 135 Cb -0.28 -3.56 -0.04 0.00 0.01 0.00 0.00 42.46 38.59 1up4 s ILE 135 CO 0.25 0.31 0.11 -0.69 0.00 0.00 0.00 174.94 174.91 1up4 s VAL 136 N 1.18 4.66 -0.18 2.92 1.01 0.30 -0.46 120.40 129.83 1up4 s VAL 136 Ca 0.11 -0.05 -0.04 0.00 0.00 0.00 0.00 61.98 61.99 1up4 s VAL 136 Cb -0.14 -3.19 -0.02 0.00 0.00 0.00 0.00 36.38 33.03 1up4 s VAL 136 CO 0.06 0.32 -0.03 0.21 0.00 0.00 0.00 175.10 175.66 1up4 s ASN 137 N 1.55 4.68 -0.04 3.32 2.47 -0.16 -1.15 114.94 125.61 1up4 s ASN 137 Ca 0.06 -0.21 0.10 0.00 0.42 0.00 0.00 52.86 53.23 1up4 s ASN 137 Cb -0.15 -1.78 -0.15 0.00 -1.45 0.00 0.00 41.25 37.72 1up4 s ASN 137 CO 0.06 0.10 0.17 0.49 -3.72 0.00 0.00 177.10 174.20 1up4 n PHE 138 N 3.98 0.00 -1.61 0.43 3.72 0.34 -0.72 117.46 123.60 1up4 n PHE 138 Ca -0.17 0.00 -0.55 0.00 -0.05 0.00 0.00 57.45 56.67 1up4 n PHE 138 Cb 0.52 -0.30 -0.07 0.00 -0.94 0.00 0.00 39.48 38.69 1up4 n PHE 138 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1up4 n THR 139 N -2.00 0.07 -3.24 4.37 -1.04 -1.14 -4.62 114.28 106.68 1up4 n THR 139 Ca -0.06 -0.01 -0.34 0.00 -2.04 0.00 0.00 64.05 61.60 1up4 n THR 139 Cb 0.42 -0.78 -0.06 0.00 -1.82 0.00 0.00 70.33 68.10 1up4 n THR 139 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 1up4 s ASN 140 N 1.25 6.80 -0.23 8.00 0.01 -1.26 -2.62 114.94 126.89 1up4 s ASN 140 Ca 0.90 1.18 -0.25 0.00 -0.71 0.00 0.00 52.86 53.98 1up4 s ASN 140 Cb -1.06 -2.33 -0.01 0.00 0.41 0.00 0.00 41.25 38.27 1up4 s ASN 140 CO 0.54 -0.07 0.83 -2.16 -1.51 0.00 0.00 177.10 174.73 1up4 s PRO 141 N -2.55 4.19 0.11 -0.60 0.05 -1.26 -4.71 135.00 130.23 1up4 s PRO 141 Ca 0.47 0.95 -0.19 0.00 0.05 0.00 0.00 61.00 62.28 1up4 s PRO 141 Cb -0.13 -3.64 -0.07 0.00 0.05 0.00 0.00 34.50 30.72 1up4 s PRO 141 CO 0.19 -0.50 1.68 1.03 0.05 0.00 0.00 177.00 179.45 1up4 h SER 142 N 7.64 0.31 -0.43 6.66 0.87 -1.76 -0.81 113.55 126.03 1up4 h SER 142 Ca -0.24 -0.13 -0.05 0.00 -1.23 0.00 0.00 61.79 60.14 1up4 h SER 142 Cb 1.10 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.96 1up4 h SER 142 CO 0.87 0.35 0.06 1.23 -0.53 0.00 0.00 176.83 178.81 1up4 h GLY 143 N 0.25 0.79 0.99 5.77 0.00 -1.88 -0.90 103.07 108.09 1up4 h GLY 143 Ca 0.08 -0.54 -0.04 0.00 0.00 0.00 0.00 47.33 46.84 1up4 h GLY 143 CO -0.01 0.50 0.21 0.84 0.00 0.00 0.00 176.54 178.07 1up4 h HIS 144 N 0.58 0.91 -0.66 5.60 6.17 -1.90 0.63 115.15 126.48 1up4 h HIS 144 Ca 0.13 -0.08 -0.01 0.00 0.71 0.00 0.00 60.37 61.12 1up4 h HIS 144 Cb 0.40 -0.27 -0.03 0.00 2.52 0.00 0.00 27.41 30.03 1up4 h HIS 144 CO 0.03 0.74 0.36 0.82 0.71 0.00 0.00 177.93 180.59 1up4 h ILE 145 N 0.81 1.21 -0.49 6.26 2.04 -1.04 -1.70 117.51 124.60 1up4 h ILE 145 Ca 0.19 -0.52 -0.01 0.00 1.00 0.00 0.00 64.86 65.52 1up4 h ILE 145 Cb 0.24 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 1up4 h ILE 145 CO -0.01 0.23 0.28 0.74 0.00 0.00 0.00 178.15 179.39 1up4 h THR 146 N 0.91 1.16 -0.86 -0.27 2.02 -0.31 0.27 112.91 115.83 1up4 h THR 146 Ca 0.23 -0.39 0.16 0.00 0.77 0.00 0.00 66.41 67.19 1up4 h THR 146 Cb 0.04 0.54 -0.10 0.00 -1.74 0.00 0.00 68.15 66.89 1up4 h THR 146 CO -0.04 0.17 0.42 -0.08 0.37 0.00 0.00 175.52 176.36 1up4 h GLU 147 N 0.65 0.55 0.14 6.66 4.57 -0.57 0.11 114.58 126.69 1up4 h GLU 147 Ca 0.17 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.31 1up4 h GLU 147 Cb 0.02 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.49 1up4 h GLU 147 CO -0.03 0.36 -0.07 0.35 -1.18 0.00 0.00 179.01 178.45 1up4 h PHE 148 N 0.57 -0.18 -0.41 0.92 3.57 -0.24 -2.00 116.94 119.17 1up4 h PHE 148 Ca 0.48 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.91 1up4 h PHE 148 Cb 0.74 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.53 1up4 h PHE 148 CO -0.10 0.18 -0.02 0.28 -2.23 0.00 0.00 178.31 176.42 1up4 h VAL 149 N -0.57 1.26 -0.18 1.41 2.07 -0.75 -0.57 116.25 118.93 1up4 h VAL 149 Ca -0.02 -1.05 -0.17 0.00 0.82 0.00 0.00 66.70 66.28 1up4 h VAL 149 Cb 0.44 1.13 -0.00 0.00 -1.52 0.00 0.00 31.29 31.33 1up4 h VAL 149 CO 0.03 0.36 -0.59 0.03 0.02 0.00 0.00 177.57 177.42 1up4 h ARG 150 N 0.57 0.60 0.00 1.57 2.47 -0.82 -1.02 114.38 117.74 1up4 h ARG 150 Ca 0.11 -0.40 0.00 0.00 -1.26 0.00 0.00 59.98 58.44 1up4 h ARG 150 Cb 0.51 0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.88 1up4 h ARG 150 CO 0.02 1.01 -0.80 0.09 0.56 0.00 0.00 179.97 180.85 1up4 n ASN 151 N -3.95 1.03 0.00 7.04 3.02 -0.75 -4.09 115.26 117.56 1up4 n ASN 151 Ca -0.04 -0.56 0.00 0.00 -0.03 0.00 0.00 54.58 53.96 1up4 n ASN 151 Cb 0.63 1.15 0.00 0.00 -0.61 0.00 0.00 39.78 40.95 1up4 n ASN 151 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1up4 n TYR 152 N -1.44 0.00 0.56 3.10 4.02 -0.28 -4.65 117.16 118.47 1up4 n TYR 152 Ca 0.01 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 58.03 1up4 n TYR 152 Cb 0.21 0.00 0.38 0.00 -0.02 0.00 0.00 39.34 39.91 1up4 n TYR 152 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 1up4 h LEU 153 N 0.00 0.00 -2.02 7.72 3.38 -1.40 -3.48 115.31 119.50 1up4 h LEU 153 Ca 0.00 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.48 1up4 h LEU 153 Cb 1.00 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.72 1up4 h LEU 153 CO 0.00 0.00 -0.89 -0.62 0.09 0.00 0.00 178.44 177.02 1up4 n GLU 154 N -2.38 -3.27 -3.66 1.13 1.02 -0.47 -4.98 120.64 108.03 1up4 n GLU 154 Ca 0.05 0.43 -0.39 0.00 -0.02 0.00 0.00 57.16 57.23 1up4 n GLU 154 Cb 0.43 -4.54 -0.12 0.00 -0.02 0.00 0.00 31.44 27.19 1up4 n GLU 154 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 1up4 s TYR 155 N -3.89 3.24 0.17 -0.32 5.04 -0.71 -5.01 117.35 115.88 1up4 s TYR 155 Ca 0.04 -1.09 -0.08 0.00 -2.44 0.00 0.00 57.07 53.50 1up4 s TYR 155 Cb -0.02 -2.37 0.05 0.00 0.35 0.00 0.00 41.96 39.97 1up4 s TYR 155 CO 0.88 -0.66 1.55 1.49 -1.34 0.00 0.00 175.55 177.47 1up4 h GLU 156 N 8.35 0.92 -3.02 4.97 4.81 -1.89 -3.33 114.58 125.38 1up4 h GLU 156 Ca -0.26 -0.41 -0.71 0.00 -0.13 0.00 0.00 59.36 57.85 1up4 h GLU 156 Cb 1.10 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 30.40 1up4 h GLU 156 CO 0.64 1.07 3.05 1.63 -0.73 0.00 0.00 179.01 184.66 1up4 n LYS 157 N -4.09 3.94 -3.83 1.92 5.02 -1.26 -4.79 118.16 115.07 1up4 n LYS 157 Ca -0.00 -2.86 -0.29 0.00 -2.02 0.00 0.00 58.31 53.13 1up4 n LYS 157 Cb 0.48 -2.80 -0.16 0.00 -0.02 0.00 0.00 35.03 32.52 1up4 n LYS 157 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 1up4 s PHE 158 N 0.84 1.66 -0.21 2.13 2.19 -1.25 -1.10 117.98 122.24 1up4 s PHE 158 Ca 0.58 -1.28 -0.03 0.00 0.33 0.00 0.00 56.93 56.54 1up4 s PHE 158 Cb 0.17 -1.29 -0.00 0.00 -1.31 0.00 0.00 43.02 40.59 1up4 s PHE 158 CO -0.07 -0.69 -0.08 0.42 1.83 0.00 0.00 175.22 176.64 1up4 s ILE 159 N 1.64 3.10 0.14 3.12 1.01 0.39 -4.91 121.20 125.69 1up4 s ILE 159 Ca -0.03 -0.59 -0.28 0.00 0.00 0.00 0.00 60.65 59.75 1up4 s ILE 159 Cb -0.18 -2.39 -0.07 0.00 0.01 0.00 0.00 42.46 39.83 1up4 s ILE 159 CO -0.07 0.45 0.87 -0.83 0.00 0.00 0.00 174.94 175.36 1up4 s GLY 160 N 1.39 2.97 0.21 6.18 0.00 -1.05 -0.98 107.32 116.04 1up4 s GLY 160 Ca 0.05 0.47 0.09 0.00 0.00 0.00 0.00 44.72 45.33 1up4 s GLY 160 CO -0.05 1.17 -0.17 -2.27 0.00 0.00 0.00 173.10 171.78 1up4 s LEU 161 N -0.58 2.53 0.12 0.66 2.96 0.10 -0.36 118.68 124.11 1up4 s LEU 161 Ca 0.41 -0.98 -0.20 0.00 -0.22 0.00 0.00 54.13 53.14 1up4 s LEU 161 Cb -0.23 -0.84 0.05 0.00 0.50 0.00 0.00 46.19 45.67 1up4 s LEU 161 CO 0.28 -0.07 0.50 0.00 -1.32 0.00 0.00 176.35 175.73 1up4 n ASN 163 N -0.12 0.97 -0.04 0.00 0.23 -1.26 -4.36 115.26 110.68 1up4 n ASN 163 Ca -0.17 -0.76 -0.14 0.00 -0.53 0.00 0.00 54.58 52.97 1up4 n ASN 163 Cb 0.63 0.39 -0.09 0.00 -2.08 0.00 0.00 39.78 38.64 1up4 n ASN 163 CO 0.00 0.00 0.00 -0.37 -0.93 0.00 0.00 177.26 175.96 1up4 h VAL 164 N 0.70 1.41 -0.22 3.53 -1.51 -1.99 -2.47 116.25 115.71 1up4 h VAL 164 Ca 0.00 -1.60 0.05 0.00 -1.23 0.00 0.00 66.70 63.92 1up4 h VAL 164 Cb 0.54 2.22 -0.05 0.00 -2.13 0.00 0.00 31.29 31.87 1up4 h VAL 164 CO 0.00 0.46 -0.09 -0.65 -1.23 0.00 0.00 177.57 176.06 1up4 h PRO 165 N -0.15 -0.05 -0.31 5.19 0.11 -1.95 0.13 132.00 134.98 1up4 h PRO 165 Ca -0.01 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.05 1up4 h PRO 165 Cb 0.87 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.98 1up4 h PRO 165 CO 0.05 -0.04 -0.05 0.97 -0.21 0.00 0.00 178.00 178.73 1up4 h ILE 166 N -0.06 1.20 -0.45 4.15 6.09 -1.81 -1.51 117.51 125.12 1up4 h ILE 166 Ca 0.11 -0.84 -0.09 0.00 -1.37 0.00 0.00 64.86 62.67 1up4 h ILE 166 Cb 0.23 1.03 -0.01 0.00 0.47 0.00 0.00 36.82 38.53 1up4 h ILE 166 CO -0.25 0.28 -0.08 0.78 -3.07 0.00 0.00 178.15 175.81 1up4 h ASN 167 N 0.46 0.85 -0.12 2.19 2.35 -0.86 -1.54 115.58 118.92 1up4 h ASN 167 Ca 0.10 -0.35 -0.01 0.00 -0.55 0.00 0.00 56.30 55.49 1up4 h ASN 167 Cb 0.38 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.51 1up4 h ASN 167 CO 0.02 1.00 0.03 0.15 -1.65 0.00 0.00 177.43 176.97 1up4 h PHE 168 N 0.69 0.20 -0.32 1.19 3.57 -0.75 -2.43 116.94 119.09 1up4 h PHE 168 Ca 0.12 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.65 1up4 h PHE 168 Cb 0.61 -0.06 -0.05 0.00 2.79 0.00 0.00 35.95 39.25 1up4 h PHE 168 CO 0.05 0.36 0.02 0.82 -2.23 0.00 0.00 178.31 177.33 1up4 h ILE 169 N -0.02 0.79 -0.76 1.41 2.04 -1.22 -1.02 117.51 118.73 1up4 h ILE 169 Ca 0.04 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1up4 h ILE 169 Cb 0.26 0.66 -0.04 0.00 -0.74 0.00 0.00 36.82 36.97 1up4 h ILE 169 CO 0.00 0.02 0.44 -0.09 0.00 0.00 0.00 178.15 178.53 1up4 h ARG 170 N 0.12 1.03 -0.08 2.37 2.43 -1.27 0.82 114.38 119.80 1up4 h ARG 170 Ca 0.15 -0.10 0.02 0.00 -0.81 0.00 0.00 59.98 59.25 1up4 h ARG 170 Cb 0.19 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 1up4 h ARG 170 CO -0.24 0.73 -0.06 1.49 -1.51 0.00 0.00 179.97 180.38 1up4 h GLU 171 N 1.05 -0.07 -0.47 0.20 4.81 -0.84 -1.43 114.58 117.83 1up4 h GLU 171 Ca 0.27 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.48 1up4 h GLU 171 Cb -0.02 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 1up4 h GLU 171 CO -0.05 -0.05 0.20 0.82 -0.73 0.00 0.00 179.01 179.20 1up4 h ILE 172 N -0.07 1.20 -0.48 2.32 1.08 -0.65 -3.04 117.51 117.87 1up4 h ILE 172 Ca 0.05 -0.62 0.09 0.00 -0.39 0.00 0.00 64.86 63.99 1up4 h ILE 172 Cb 0.15 0.73 -0.07 0.00 -3.07 0.00 0.00 36.82 34.56 1up4 h ILE 172 CO -0.12 0.23 0.06 0.00 -0.69 0.00 0.00 178.15 177.63 1up4 h ALA 173 N 1.04 0.51 0.00 1.87 0.00 -0.68 -1.90 119.26 120.10 1up4 h ALA 173 Ca 0.16 0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 1up4 h ALA 173 Cb 0.18 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1up4 h ALA 173 CO -0.01 -0.34 -0.06 -0.85 0.00 0.00 0.00 179.25 177.98 1up4 n GLU 174 N -5.16 1.02 0.00 0.00 0.28 -0.55 -0.90 120.64 115.33 1up4 n GLU 174 Ca 0.05 -0.23 0.00 0.00 -0.16 0.00 0.00 57.16 56.83 1up4 n GLU 174 Cb 0.25 -1.33 0.00 0.00 1.43 0.00 0.00 31.44 31.79 1up4 n GLU 174 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 1up4 n PHE 176 N 1.89 0.00 -3.59 -1.84 3.72 -0.72 -4.85 117.46 112.08 1up4 n PHE 176 Ca 0.10 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.29 1up4 n PHE 176 Cb 0.49 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 39.08 1up4 n PHE 176 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1up4 n SER 177 N 0.00 -2.29 -4.26 4.37 7.64 -0.08 -5.00 113.62 114.00 1up4 n SER 177 Ca 0.00 -0.78 -0.14 0.00 1.01 0.00 0.00 58.87 58.96 1up4 n SER 177 Cb 0.00 -4.36 -0.10 0.00 -1.01 0.00 0.00 64.21 58.74 1up4 n SER 177 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1up4 s ALA 178 N -3.55 1.46 0.79 -0.43 0.00 -0.30 -5.14 121.76 114.59 1up4 s ALA 178 Ca 0.09 -1.62 -0.11 0.00 0.00 0.00 0.00 51.96 50.32 1up4 s ALA 178 Cb -0.02 0.47 0.07 0.00 0.00 0.00 0.00 23.12 23.64 1up4 s ALA 178 CO 0.79 -0.28 1.10 1.03 0.00 0.00 0.00 175.76 178.40 1up4 s ARG 179 N -3.88 2.12 0.18 0.00 0.52 -1.26 -4.52 118.95 112.10 1up4 s ARG 179 Ca 0.24 0.62 -0.14 0.00 -0.52 0.00 0.00 55.73 55.94 1up4 s ARG 179 Cb 0.06 -1.92 0.14 0.00 0.52 0.00 0.00 34.95 33.74 1up4 s ARG 179 CO 0.05 -1.59 1.76 -0.07 0.02 0.00 0.00 175.30 175.47 1up4 h LEU 180 N -1.07 0.23 -0.16 2.53 4.07 -1.95 -2.19 115.31 116.77 1up4 h LEU 180 Ca -0.47 0.05 0.00 0.00 0.08 0.00 0.00 57.88 57.54 1up4 h LEU 180 Cb 1.27 0.01 0.00 0.00 1.08 0.00 0.00 40.66 43.02 1up4 h LEU 180 CO 0.60 0.16 0.00 -1.84 -1.08 0.00 0.00 178.44 176.28 1up4 n GLU 181 N -4.97 0.06 0.00 1.13 0.28 -1.26 -1.96 120.64 113.92 1up4 n GLU 181 Ca 0.04 0.26 0.12 0.00 -0.16 0.00 0.00 57.16 57.42 1up4 n GLU 181 Cb 0.16 -1.60 0.63 0.00 1.43 0.00 0.00 31.44 32.07 1up4 n GLU 181 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1up4 n ASP 182 N -1.70 0.00 -4.57 -1.84 9.92 -0.82 -4.70 116.55 112.83 1up4 n ASP 182 Ca 0.04 -0.02 -0.36 0.00 -0.53 0.00 0.00 54.79 53.92 1up4 n ASP 182 Cb 0.22 -0.31 -0.11 0.00 -0.64 0.00 0.00 41.12 40.28 1up4 n ASP 182 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1up4 s VAL 183 N -2.61 4.85 -0.08 2.53 1.01 -0.83 -0.73 120.40 124.54 1up4 s VAL 183 Ca 0.23 0.00 0.02 0.00 0.00 0.00 0.00 61.98 62.24 1up4 s VAL 183 Cb 0.17 -3.25 0.01 0.00 0.00 0.00 0.00 36.38 33.31 1up4 s VAL 183 CO 0.40 0.36 -0.14 0.12 0.00 0.00 0.00 175.10 175.83 1up4 s PHE 184 N 1.19 1.67 0.09 5.22 2.19 0.50 -5.00 117.98 123.84 1up4 s PHE 184 Ca 0.06 -0.65 0.09 0.00 0.33 0.00 0.00 56.93 56.75 1up4 s PHE 184 Cb -0.14 -1.20 -0.04 0.00 -1.31 0.00 0.00 43.02 40.33 1up4 s PHE 184 CO 0.04 -0.32 -0.21 -0.51 1.83 0.00 0.00 175.22 176.05 1up4 s LEU 185 N 0.68 2.50 -0.50 6.12 1.02 -1.26 -0.55 118.68 126.69 1up4 s LEU 185 Ca -0.14 -0.57 -0.21 0.00 0.02 0.00 0.00 54.13 53.22 1up4 s LEU 185 Cb -0.16 -1.42 0.04 0.00 0.02 0.00 0.00 46.19 44.67 1up4 s LEU 185 CO 0.04 0.21 0.73 -0.75 0.02 0.00 0.00 176.35 176.60 1up4 s LYS 186 N -1.80 3.24 -0.02 1.70 2.20 -0.33 -4.91 119.74 119.82 1up4 s LYS 186 Ca 0.15 -0.52 0.00 0.00 -0.36 0.00 0.00 55.97 55.24 1up4 s LYS 186 Cb -0.10 -4.04 0.02 0.00 -1.51 0.00 0.00 37.83 32.20 1up4 s LYS 186 CO 0.07 -1.24 0.01 -0.47 -0.36 0.00 0.00 175.35 173.36 1up4 s TYR 187 N 3.11 0.17 0.20 4.03 6.14 -1.26 -1.03 117.35 128.71 1up4 s TYR 187 Ca 0.22 0.05 -0.22 0.00 0.64 0.00 0.00 57.07 57.77 1up4 s TYR 187 Cb -0.15 -0.30 0.05 0.00 0.42 0.00 0.00 41.96 41.98 1up4 s TYR 187 CO 0.17 -0.10 0.63 1.52 0.64 0.00 0.00 175.55 178.41 1up4 s TYR 188 N 0.90 -0.40 -5.00 4.97 1.13 -0.66 -4.31 117.35 113.98 1up4 s TYR 188 Ca -0.08 0.11 0.00 0.00 -1.41 0.00 0.00 57.07 55.68 1up4 s TYR 188 Cb -0.12 0.59 0.00 0.00 -1.10 0.00 0.00 41.96 41.33 1up4 s TYR 188 CO -0.02 -0.97 0.00 0.41 -2.51 0.00 0.00 175.55 172.46 1up4 n GLY 189 N -0.40 0.87 4.00 5.49 0.00 -1.23 -0.18 105.19 113.75 1up4 n GLY 189 Ca -0.13 -1.86 -0.18 0.00 0.00 0.00 0.00 46.02 43.85 1up4 n GLY 189 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1up4 s LEU 190 N 0.00 3.85 0.24 0.99 1.02 -0.32 -0.30 118.68 124.15 1up4 s LEU 190 Ca 0.00 -0.28 -0.31 0.00 0.02 0.00 0.00 54.13 53.55 1up4 s LEU 190 Cb 0.00 -2.71 -0.12 0.00 0.02 0.00 0.00 46.19 43.38 1up4 s LEU 190 CO 0.00 -0.56 1.69 -3.20 0.02 0.00 0.00 176.35 174.30 1up4 n ASN 191 N -1.72 3.98 -1.66 2.29 2.85 -1.26 -0.62 115.26 119.13 1up4 n ASN 191 Ca 0.03 1.09 -0.20 0.00 -0.11 0.00 0.00 54.58 55.39 1up4 n ASN 191 Cb 0.58 -1.59 -0.07 0.00 1.24 0.00 0.00 39.78 39.94 1up4 n ASN 191 CO 0.00 0.00 0.00 1.41 -2.11 0.00 0.00 177.26 176.56 1up4 n HIS 192 N 3.38 -0.15 -2.82 1.20 8.25 -1.26 -4.84 115.22 118.98 1up4 n HIS 192 Ca 0.14 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.49 1up4 n HIS 192 Cb 0.36 -3.45 0.06 0.00 1.12 0.00 0.00 29.99 28.08 1up4 n HIS 192 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1up4 n LEU 193 N -2.38 -0.97 -4.40 2.41 -0.00 0.21 -4.51 117.00 107.36 1up4 n LEU 193 Ca -0.21 -3.95 -0.22 0.00 -0.00 0.00 0.00 56.01 51.63 1up4 n LEU 193 Cb 0.66 0.60 -0.10 0.00 -0.00 0.00 0.00 43.42 44.58 1up4 n LEU 193 CO 0.30 2.01 -0.48 -0.94 -0.00 0.00 0.00 177.39 178.29 1up4 s SER 194 N -1.78 3.07 0.01 1.96 1.04 -1.21 -1.17 113.70 115.62 1up4 s SER 194 Ca 0.27 -0.97 0.02 0.00 0.48 0.00 0.00 55.95 55.74 1up4 s SER 194 Cb 0.35 -0.22 -0.01 0.00 0.10 0.00 0.00 66.02 66.25 1up4 s SER 194 CO -0.05 -0.03 -0.05 -0.36 0.98 0.00 0.00 173.24 173.73 1up4 s PHE 195 N -2.45 0.46 -0.14 5.02 0.40 0.75 -1.85 117.98 120.18 1up4 s PHE 195 Ca 0.24 -0.21 0.01 0.00 -0.60 0.00 0.00 56.93 56.37 1up4 s PHE 195 Cb -0.04 -0.29 -0.00 0.00 0.51 0.00 0.00 43.02 43.20 1up4 s PHE 195 CO 0.10 -0.04 -0.18 0.42 0.70 0.00 0.00 175.22 176.23 1up4 s ILE 196 N -0.50 2.51 -0.13 0.64 1.01 0.95 -1.65 121.20 124.03 1up4 s ILE 196 Ca -0.02 -0.83 0.11 0.00 0.00 0.00 0.00 60.65 59.90 1up4 s ILE 196 Cb -0.04 -2.03 -0.16 0.00 0.01 0.00 0.00 42.46 40.24 1up4 s ILE 196 CO -0.00 0.53 0.03 1.21 0.00 0.00 0.00 174.94 176.71 1up4 n GLU 197 N 3.91 1.72 -3.81 2.79 2.13 -0.20 -0.63 120.64 126.55 1up4 n GLU 197 Ca -0.19 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.51 1up4 n GLU 197 Cb 0.52 -1.34 -0.12 0.00 0.27 0.00 0.00 31.44 30.77 1up4 n GLU 197 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1up4 s LYS 198 N -2.32 0.19 -0.10 5.31 3.01 -1.24 -4.94 119.74 119.65 1up4 s LYS 198 Ca -0.08 0.23 0.03 0.00 -1.01 0.00 0.00 55.97 55.14 1up4 s LYS 198 Cb 0.04 0.08 0.01 0.00 -1.01 0.00 0.00 37.83 36.95 1up4 s LYS 198 CO 0.52 -0.03 -0.18 0.08 0.51 0.00 0.00 175.35 176.25 1up4 s VAL 199 N 0.13 1.65 -0.07 3.17 1.01 -1.26 -1.19 120.40 123.83 1up4 s VAL 199 Ca -0.00 -0.76 0.04 0.00 0.00 0.00 0.00 61.98 61.26 1up4 s VAL 199 Cb -0.01 -1.47 -0.00 0.00 0.00 0.00 0.00 36.38 34.90 1up4 s VAL 199 CO -0.00 0.47 -0.21 -0.36 0.00 0.00 0.00 175.10 175.00 1up4 s PHE 200 N 0.70 2.22 -0.13 5.22 0.40 0.29 -0.97 117.98 125.70 1up4 s PHE 200 Ca -0.12 -0.80 0.00 0.00 -0.60 0.00 0.00 56.93 55.41 1up4 s PHE 200 Cb -0.16 -1.49 0.02 0.00 0.51 0.00 0.00 43.02 41.90 1up4 s PHE 200 CO 0.03 -0.31 -0.11 0.08 0.70 0.00 0.00 175.22 175.61 1up4 s VAL 201 N 0.22 1.34 -1.46 -0.44 1.01 -0.20 -0.37 120.40 120.51 1up4 s VAL 201 Ca -0.12 -0.49 -0.13 0.00 0.00 0.00 0.00 61.98 61.24 1up4 s VAL 201 Cb -0.16 -1.29 0.10 0.00 0.00 0.00 0.00 36.38 35.03 1up4 s VAL 201 CO 0.06 0.42 0.68 0.29 0.00 0.00 0.00 175.10 176.54 1up4 n LYS 202 N 4.82 -3.75 0.00 2.72 5.02 0.09 -1.37 118.16 125.69 1up4 n LYS 202 Ca -0.15 0.47 0.00 0.00 -2.02 0.00 0.00 58.31 56.61 1up4 n LYS 202 Cb 0.50 -5.23 0.00 0.00 -0.02 0.00 0.00 35.03 30.29 1up4 n LYS 202 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1up4 n GLY 203 N -1.34 2.87 3.75 0.72 0.00 -1.26 -5.03 105.19 104.90 1up4 n GLY 203 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 1up4 n GLY 203 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1up4 s GLU 204 N -0.49 4.66 -0.53 1.61 2.12 -0.47 -5.01 118.70 120.58 1up4 s GLU 204 Ca 0.00 1.29 -0.28 0.00 0.36 0.00 0.00 54.97 56.34 1up4 s GLU 204 Cb 0.00 -3.32 0.01 0.00 0.26 0.00 0.00 34.13 31.08 1up4 s GLU 204 CO 0.00 0.41 1.47 0.34 -0.54 0.00 0.00 175.26 176.94 1up4 s ASP 205 N -0.63 6.07 -0.06 -1.70 -1.08 -1.26 -1.03 116.67 116.98 1up4 s ASP 205 Ca 0.40 0.41 0.12 0.00 -0.52 0.00 0.00 52.55 52.97 1up4 s ASP 205 Cb -0.23 -2.54 0.36 0.00 -1.46 0.00 0.00 42.92 39.05 1up4 s ASP 205 CO 0.28 -1.73 1.29 1.33 0.52 0.00 0.00 175.17 176.86 1up4 n VAL 206 N 6.95 1.47 -0.15 1.11 0.24 -0.14 -4.76 118.33 123.04 1up4 n VAL 206 Ca 0.14 -1.34 -0.07 0.00 -2.04 0.00 0.00 64.34 61.03 1up4 n VAL 206 Cb 0.49 0.22 -0.01 0.00 -1.47 0.00 0.00 33.84 33.07 1up4 n VAL 206 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 1up4 h THR 207 N 1.77 0.19 -0.73 3.34 2.02 -1.86 -0.38 112.91 117.26 1up4 h THR 207 Ca 0.00 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.25 1up4 h THR 207 Cb 0.97 0.19 -0.06 0.00 -1.74 0.00 0.00 68.15 67.51 1up4 h THR 207 CO 0.08 0.00 0.41 -0.33 0.37 0.00 0.00 175.52 176.05 1up4 h GLU 208 N -0.23 0.71 -0.14 6.66 3.07 -1.93 -1.25 114.58 121.47 1up4 h GLU 208 Ca 0.19 -0.04 -0.07 0.00 -0.50 0.00 0.00 59.36 58.93 1up4 h GLU 208 Cb 0.55 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 28.29 1up4 h GLU 208 CO -0.59 0.47 -0.23 0.87 -1.40 0.00 0.00 179.01 178.13 1up4 h LYS 209 N 0.73 0.25 -0.36 2.33 1.57 -1.66 -1.59 116.57 117.85 1up4 h LYS 209 Ca 0.34 -0.08 -0.10 0.00 -1.87 0.00 0.00 60.65 58.93 1up4 h LYS 209 Cb 0.24 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 1up4 h LYS 209 CO -0.20 0.48 -0.18 0.28 -0.57 0.00 0.00 179.45 179.26 1up4 h VAL 210 N 0.23 1.28 -0.40 0.50 2.07 -0.20 -2.24 116.25 117.49 1up4 h VAL 210 Ca 0.04 -1.30 -0.03 0.00 0.82 0.00 0.00 66.70 66.23 1up4 h VAL 210 Cb 0.54 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.64 1up4 h VAL 210 CO 0.04 0.43 0.14 -0.26 0.02 0.00 0.00 177.57 177.93 1up4 h PHE 211 N 0.55 0.62 -0.13 1.57 0.04 -0.94 -1.53 116.94 117.12 1up4 h PHE 211 Ca 0.08 -0.06 -0.05 0.00 2.80 0.00 0.00 57.97 60.74 1up4 h PHE 211 Cb 0.72 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.68 1up4 h PHE 211 CO 0.06 0.57 -0.17 0.93 -0.60 0.00 0.00 178.31 179.10 1up4 h GLU 212 N 0.50 0.21 0.00 1.51 4.39 -1.22 -2.44 114.58 117.52 1up4 h GLU 212 Ca 0.13 -0.05 -0.12 0.00 0.34 0.00 0.00 59.36 59.66 1up4 h GLU 212 Cb 0.23 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 1up4 h GLU 212 CO -0.01 0.38 -0.75 -0.91 -1.16 0.00 0.00 179.01 176.56 1up4 h ASN 213 N 0.20 0.00 0.55 1.42 2.35 -1.16 -3.12 115.58 115.82 1up4 h ASN 213 Ca 0.04 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.78 1up4 h ASN 213 Cb 0.42 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.79 1up4 h ASN 213 CO 0.03 0.53 -0.06 0.25 -1.65 0.00 0.00 177.43 176.53 1up4 h LEU 214 N 0.00 0.00 0.00 1.61 5.85 -0.78 -2.53 115.31 119.46 1up4 h LEU 214 Ca -0.04 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.68 1up4 h LEU 214 Cb 1.44 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.47 1up4 h LEU 214 CO 0.06 0.06 0.00 0.29 -0.34 0.00 0.00 178.44 178.51 1up4 n LYS 215 N -3.29 0.87 -0.77 1.25 5.02 -1.17 -3.67 118.16 116.39 1up4 n LYS 215 Ca -0.01 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.34 1up4 n LYS 215 Cb 0.24 -1.50 0.15 0.00 -0.02 0.00 0.00 35.03 33.89 1up4 n LYS 215 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1up4 n LEU 216 N -1.06 2.12 0.00 -0.35 4.77 -0.95 -5.06 117.00 116.46 1up4 n LEU 216 Ca 0.22 -3.21 0.00 0.00 -0.03 0.00 0.00 56.01 52.98 1up4 n LEU 216 Cb 0.14 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 1up4 n LEU 216 CO 0.19 1.06 0.00 1.17 -1.33 0.00 0.00 177.39 178.48 1up4 n LYS 217 N -0.69 0.00 -0.22 3.23 4.81 -1.24 -5.12 118.16 118.93 1up4 n LYS 217 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.59 1up4 n LYS 217 Cb 0.80 -0.02 0.00 0.00 0.02 0.00 0.00 35.03 35.83 1up4 n LYS 217 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1up4 n GLU 224 N 0.00 -0.23 -4.29 1.64 1.02 -1.26 -5.18 120.64 112.34 1up4 n GLU 224 Ca 0.00 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 56.90 1up4 n GLU 224 Cb 0.00 -0.90 -0.08 0.00 -0.02 0.00 0.00 31.44 30.45 1up4 n GLU 224 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1up4 s ASP 225 N -0.22 4.35 0.49 1.62 1.11 -1.26 -5.07 116.67 117.68 1up4 s ASP 225 Ca 0.00 -0.83 -0.24 0.00 0.18 0.00 0.00 52.55 51.66 1up4 s ASP 225 Cb 0.00 -0.66 -0.07 0.00 1.07 0.00 0.00 42.92 43.26 1up4 s ASP 225 CO 0.00 -0.14 1.41 0.49 1.18 0.00 0.00 175.17 178.12 1up4 n PHE 226 N -0.94 2.58 -1.69 4.23 3.72 -1.26 -5.00 117.46 119.11 1up4 n PHE 226 Ca -0.05 0.43 -0.30 0.00 -0.05 0.00 0.00 57.45 57.49 1up4 n PHE 226 Cb 0.61 -2.43 0.08 0.00 -0.94 0.00 0.00 39.48 36.80 1up4 n PHE 226 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 1up4 s PRO 227 N -2.61 2.28 0.17 -1.08 0.02 -1.26 -4.96 135.00 127.55 1up4 s PRO 227 Ca 0.65 0.52 -0.16 0.00 0.02 0.00 0.00 61.00 62.03 1up4 s PRO 227 Cb -0.44 -1.95 0.11 0.00 0.02 0.00 0.00 34.50 32.24 1up4 s PRO 227 CO 0.54 -1.46 1.67 1.15 -0.33 0.00 0.00 177.00 178.58 1up4 h THR 228 N -0.97 0.61 -0.43 0.99 2.02 -1.97 -2.47 112.91 110.69 1up4 h THR 228 Ca -0.46 -0.01 0.09 0.00 0.77 0.00 0.00 66.41 66.80 1up4 h THR 228 Cb 1.27 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 68.24 1up4 h THR 228 CO 0.61 0.00 0.30 4.11 0.37 0.00 0.00 175.52 180.92 1up4 h TRP 229 N 0.03 0.18 -0.69 3.16 5.08 -1.99 -1.75 115.95 119.96 1up4 h TRP 229 Ca 0.20 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.18 1up4 h TRP 229 Cb 0.30 -0.06 -0.03 0.00 -3.00 0.00 0.00 29.16 26.37 1up4 h TRP 229 CO -0.34 0.09 0.45 0.35 -1.28 0.00 0.00 178.44 177.71 1up4 h PHE 230 N 0.17 0.88 -0.15 0.12 3.57 -1.81 -0.70 116.94 119.03 1up4 h PHE 230 Ca 0.20 0.01 -0.17 0.00 3.53 0.00 0.00 57.97 61.55 1up4 h PHE 230 Cb 0.58 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 1up4 h PHE 230 CO -0.00 0.57 -0.61 1.88 -2.23 0.00 0.00 178.31 177.92 1up4 h TYR 231 N 0.94 0.64 -0.52 0.41 0.05 -1.40 0.41 116.97 117.51 1up4 h TYR 231 Ca 0.25 -0.24 -0.00 0.00 0.05 0.00 0.00 58.73 58.79 1up4 h TYR 231 Cb -0.09 -0.11 -0.03 0.00 1.01 0.00 0.00 36.73 37.51 1up4 h TYR 231 CO -0.02 0.98 0.32 -0.44 -1.05 0.00 0.00 178.16 177.95 1up4 h ASP 232 N 0.37 0.61 0.00 3.88 5.19 -1.04 -1.65 116.42 123.79 1up4 h ASP 232 Ca -0.01 -0.03 -0.25 0.00 -0.62 0.00 0.00 57.03 56.13 1up4 h ASP 232 Cb 1.16 -0.15 -0.04 0.00 0.18 0.00 0.00 39.33 40.48 1up4 h ASP 232 CO 0.11 0.47 -1.49 -1.20 -3.12 0.00 0.00 179.24 174.01 1up4 n SER 233 N -4.44 1.88 0.09 6.45 7.64 -0.32 -4.40 113.62 120.53 1up4 n SER 233 Ca 0.05 0.42 -0.06 0.00 1.01 0.00 0.00 58.87 60.29 1up4 n SER 233 Cb 0.07 -0.90 0.09 0.00 -1.01 0.00 0.00 64.21 62.45 1up4 n SER 233 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1up4 h VAL 234 N -1.00 1.42 -5.70 0.44 2.07 -1.03 -3.47 116.25 108.97 1up4 h VAL 234 Ca -0.38 -2.17 -0.43 0.00 0.82 0.00 0.00 66.70 64.53 1up4 h VAL 234 Cb 1.27 2.14 -0.02 0.00 -1.52 0.00 0.00 31.29 33.16 1up4 h VAL 234 CO -0.23 0.64 -0.67 0.54 0.02 0.00 0.00 177.57 177.87 1up4 n ARG 235 N -3.81 -4.94 -4.16 1.57 1.74 -0.62 -5.01 116.66 101.44 1up4 n ARG 235 Ca -0.03 0.63 -0.16 0.00 -0.77 0.00 0.00 57.85 57.53 1up4 n ARG 235 Cb 0.67 -5.48 -0.13 0.00 -1.02 0.00 0.00 32.46 26.50 1up4 n ARG 235 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1up4 s LEU 236 N -6.96 2.16 -0.10 0.55 1.43 -1.26 -4.88 118.68 109.62 1up4 s LEU 236 Ca 0.52 -0.39 -0.23 0.00 -1.03 0.00 0.00 54.13 53.01 1up4 s LEU 236 Cb -0.26 -0.30 -0.03 0.00 0.03 0.00 0.00 46.19 45.63 1up4 s LEU 236 CO 0.65 -0.07 0.68 -0.63 0.23 0.00 0.00 176.35 177.21 1up4 s ILE 237 N -0.87 5.04 -0.05 -0.59 1.01 0.20 -4.90 121.20 121.04 1up4 s ILE 237 Ca -0.04 1.37 0.05 0.00 0.00 0.00 0.00 60.65 62.03 1up4 s ILE 237 Cb -0.07 -4.01 -0.02 0.00 0.01 0.00 0.00 42.46 38.37 1up4 s ILE 237 CO 0.00 0.22 -0.20 -0.69 0.00 0.00 0.00 174.94 174.27 1up4 s VAL 238 N 1.07 2.51 0.36 2.92 1.01 -1.26 -0.03 120.40 126.98 1up4 s VAL 238 Ca 0.35 -0.92 -0.28 0.00 0.00 0.00 0.00 61.98 61.13 1up4 s VAL 238 Cb -0.17 -1.94 -0.12 0.00 0.00 0.00 0.00 36.38 34.15 1up4 s VAL 238 CO 0.16 0.58 1.42 -3.20 0.00 0.00 0.00 175.10 174.05 1up4 n ASN 239 N 2.60 3.39 0.28 3.32 2.85 -0.77 -4.88 115.26 122.04 1up4 n ASN 239 Ca -0.17 1.22 0.14 0.00 -0.11 0.00 0.00 54.58 55.66 1up4 n ASN 239 Cb 0.52 -1.57 0.81 0.00 1.24 0.00 0.00 39.78 40.78 1up4 n ASN 239 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1up4 h PRO 240 N 2.90 0.00 0.00 1.20 0.11 -1.93 -1.66 132.00 132.62 1up4 h PRO 240 Ca -0.49 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 1up4 h PRO 240 Cb 1.26 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 1up4 h PRO 240 CO 0.64 0.08 -0.04 1.88 -0.21 0.00 0.00 178.00 180.35 1up4 h TYR 241 N 0.00 0.00 0.00 0.65 -1.99 -1.90 -1.89 116.97 111.84 1up4 h TYR 241 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1up4 h TYR 241 Cb 0.24 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.97 1up4 h TYR 241 CO 0.00 0.04 0.00 -0.07 -0.00 0.00 0.00 178.16 178.13 1up4 h LEU 242 N 0.00 0.00 -1.68 3.88 -0.00 -1.53 -1.48 115.31 114.51 1up4 h LEU 242 Ca -0.00 0.00 0.06 0.00 -0.00 0.00 0.00 57.88 57.94 1up4 h LEU 242 Cb 0.28 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 40.91 1up4 h LEU 242 CO 0.00 0.00 0.33 0.03 -0.00 0.00 0.00 178.44 178.80 1up4 h ARG 243 N 0.00 0.39 0.00 1.13 3.08 -1.54 0.42 114.38 117.86 1up4 h ARG 243 Ca 0.00 -0.02 -0.08 0.00 0.07 0.00 0.00 59.98 59.94 1up4 h ARG 243 Cb 0.02 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 1up4 h ARG 243 CO 0.00 0.26 -0.39 1.88 -1.07 0.00 0.00 179.97 180.64 1up4 h TYR 244 N 0.40 0.00 0.00 3.04 0.05 -1.49 -3.23 116.97 115.74 1up4 h TYR 244 Ca 0.21 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.90 1up4 h TYR 244 Cb 0.33 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.06 1up4 h TYR 244 CO -0.00 0.39 -0.53 1.88 -1.05 0.00 0.00 178.16 178.86 1up4 h TYR 245 N 0.00 0.00 -0.20 4.88 -1.99 -1.51 -3.30 116.97 114.84 1up4 h TYR 245 Ca -0.00 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.64 1up4 h TYR 245 Cb 0.71 0.00 -0.05 0.00 2.00 0.00 0.00 36.73 39.39 1up4 h TYR 245 CO 0.00 1.13 0.11 1.28 -0.00 0.00 0.00 178.16 180.68 1up4 n LEU 246 N -4.55 3.34 0.00 3.88 7.99 0.07 -4.97 117.00 122.76 1up4 n LEU 246 Ca -0.18 -1.71 0.00 0.00 -0.01 0.00 0.00 56.01 54.10 1up4 n LEU 246 Cb 0.54 -0.57 0.00 0.00 -0.11 0.00 0.00 43.42 43.28 1up4 n LEU 246 CO 0.26 0.54 0.00 1.21 -1.51 0.00 0.00 177.39 177.89 1up4 n GLU 248 N 0.13 0.00 -0.10 3.23 2.13 -1.23 -5.04 120.64 119.75 1up4 n GLU 248 Ca 0.12 0.00 -0.05 0.00 0.66 0.00 0.00 57.16 57.88 1up4 n GLU 248 Cb 0.68 0.00 0.01 0.00 0.27 0.00 0.00 31.44 32.40 1up4 n GLU 248 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 1up4 h LYS 249 N 0.00 0.00 -0.05 5.31 1.57 -1.92 0.34 116.57 121.82 1up4 h LYS 249 Ca 0.00 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1up4 h LYS 249 Cb 0.00 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1up4 h LYS 249 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 179.45 180.05 1up4 n LYS 250 N -5.28 0.06 0.00 3.15 3.00 -1.26 -1.86 118.16 115.97 1up4 n LYS 250 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.32 1up4 n LYS 250 Cb 0.20 -1.03 0.00 0.00 0.00 0.00 0.00 35.03 34.20 1up4 n LYS 250 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1up4 n PHE 252 N 0.40 0.00 -0.34 5.64 7.35 0.12 -2.17 117.46 128.46 1up4 n PHE 252 Ca 0.00 0.00 0.01 0.00 -0.76 0.00 0.00 57.45 56.70 1up4 n PHE 252 Cb 0.01 0.00 0.14 0.00 0.35 0.00 0.00 39.48 39.99 1up4 n PHE 252 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 1up4 h LYS 253 N 0.00 1.07 0.25 -4.13 1.79 -1.60 -1.58 116.57 112.37 1up4 h LYS 253 Ca 0.00 -0.06 -0.01 0.00 -2.18 0.00 0.00 60.65 58.39 1up4 h LYS 253 Cb 0.00 -0.24 0.00 0.00 -1.58 0.00 0.00 32.23 30.41 1up4 h LYS 253 CO 0.00 0.71 -0.12 -0.22 -1.08 0.00 0.00 179.45 178.74 1up4 h LYS 254 N 1.10 -0.32 -0.98 3.15 3.64 -1.71 -3.02 116.57 118.43 1up4 h LYS 254 Ca 0.39 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.81 1up4 h LYS 254 Cb 0.10 0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 31.95 1up4 h LYS 254 CO -0.15 0.04 0.65 0.82 -2.27 0.00 0.00 179.45 178.53 1up4 h ILE 255 N -0.79 1.22 -0.00 2.00 2.04 -1.83 -2.82 117.51 117.33 1up4 h ILE 255 Ca -0.03 -0.44 0.00 0.00 1.00 0.00 0.00 64.86 65.38 1up4 h ILE 255 Cb 0.51 -0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.40 1up4 h ILE 255 CO 0.06 0.24 -0.09 -1.54 0.00 0.00 0.00 178.15 176.81 1up4 n SER 256 N -4.42 0.23 -0.49 1.72 3.41 -0.60 -3.39 113.62 110.07 1up4 n SER 256 Ca 0.12 -0.19 0.06 0.00 -0.26 0.00 0.00 58.87 58.60 1up4 n SER 256 Cb 0.04 -0.19 0.16 0.00 -0.26 0.00 0.00 64.21 63.95 1up4 n SER 256 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1up4 n THR 257 N -1.22 1.60 -4.16 6.66 -2.24 -1.07 -5.00 114.28 108.85 1up4 n THR 257 Ca 0.12 -1.54 -0.12 0.00 -2.27 0.00 0.00 64.05 60.24 1up4 n THR 257 Cb 0.28 0.11 -0.10 0.00 -2.10 0.00 0.00 70.33 68.52 1up4 n THR 257 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1up4 s HIS 258 N -1.97 0.93 0.13 4.78 3.76 -1.21 -5.07 115.29 116.65 1up4 s HIS 258 Ca 0.27 -0.76 -0.33 0.00 -0.15 0.00 0.00 55.06 54.09 1up4 s HIS 258 Cb 0.20 -0.52 -0.17 0.00 1.11 0.00 0.00 32.58 33.19 1up4 s HIS 258 CO 0.08 -0.08 0.91 -1.91 -0.85 0.00 0.00 174.74 172.89 1up4 n GLU 259 N 0.38 0.42 -1.76 1.40 2.13 -1.26 -4.88 120.64 117.06 1up4 n GLU 259 Ca -0.15 0.15 -0.41 0.00 0.66 0.00 0.00 57.16 57.42 1up4 n GLU 259 Cb 0.59 -1.48 0.01 0.00 0.27 0.00 0.00 31.44 30.83 1up4 n GLU 259 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1up4 n LEU 260 N 1.82 4.91 -0.33 4.31 4.77 -1.26 -4.89 117.00 126.33 1up4 n LEU 260 Ca 0.17 1.17 0.00 0.00 -0.03 0.00 0.00 56.01 57.32 1up4 n LEU 260 Cb 0.20 -1.61 0.17 0.00 -2.33 0.00 0.00 43.42 39.85 1up4 n LEU 260 CO 0.59 -0.04 1.27 -0.09 -1.33 0.00 0.00 177.39 177.80 1up4 h ARG 261 N 2.57 1.17 -0.53 3.23 9.65 -1.94 -2.39 114.38 126.15 1up4 h ARG 261 Ca -0.51 -0.07 0.09 0.00 -1.10 0.00 0.00 59.98 58.39 1up4 h ARG 261 Cb 1.26 -0.26 -0.03 0.00 -1.39 0.00 0.00 29.97 29.54 1up4 h ARG 261 CO 0.62 0.78 0.36 0.00 2.80 0.00 0.00 179.97 184.53 1up4 h ALA 262 N 1.44 2.04 -0.06 2.80 0.00 -1.90 0.11 119.26 123.69 1up4 h ALA 262 Ca 0.36 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 55.13 1up4 h ALA 262 Cb -0.06 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1up4 h ALA 262 CO -0.09 -0.15 -0.54 0.00 0.00 0.00 0.00 179.25 178.46 1up4 h ARG 263 N 0.35 0.16 -0.22 0.00 3.08 -1.79 -2.98 114.38 112.98 1up4 h ARG 263 Ca 0.24 -0.10 -0.12 0.00 0.07 0.00 0.00 59.98 60.07 1up4 h ARG 263 Cb 0.50 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.56 1up4 h ARG 263 CO -0.06 0.66 -0.33 1.49 -1.07 0.00 0.00 179.97 180.66 1up4 h GLU 264 N 0.13 0.61 -1.98 0.04 4.81 -0.81 -3.05 114.58 114.32 1up4 h GLU 264 Ca 0.00 -0.37 0.00 0.00 -0.13 0.00 0.00 59.36 58.86 1up4 h GLU 264 Cb 1.00 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.41 1up4 h GLU 264 CO 0.08 0.98 0.00 0.28 -0.73 0.00 0.00 179.01 179.62 1up4 n VAL 265 N -4.29 0.03 0.00 0.32 0.31 -0.77 -1.51 118.33 112.42 1up4 n VAL 265 Ca -0.05 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 1up4 n VAL 265 Cb 0.50 -0.59 0.00 0.00 -0.91 0.00 0.00 33.84 32.83 1up4 n VAL 265 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1up4 n LYS 267 N 1.15 0.00 -0.08 5.55 4.81 -1.16 -0.19 118.16 128.25 1up4 n LYS 267 Ca 0.00 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.33 1up4 n LYS 267 Cb 0.01 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.02 1up4 n LYS 267 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 1up4 h ILE 268 N 0.00 1.26 -0.48 3.15 2.04 -1.58 -2.75 117.51 119.14 1up4 h ILE 268 Ca 0.00 -0.91 -0.09 0.00 1.00 0.00 0.00 64.86 64.86 1up4 h ILE 268 Cb 0.00 1.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.45 1up4 h ILE 268 CO 0.00 0.28 -0.05 -0.33 0.00 0.00 0.00 178.15 178.06 1up4 h GLU 269 N 0.19 0.84 -0.21 2.37 5.08 -0.85 -0.82 114.58 121.17 1up4 h GLU 269 Ca 0.07 -0.26 -0.02 0.00 -1.00 0.00 0.00 59.36 58.15 1up4 h GLU 269 Cb 0.42 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1up4 h GLU 269 CO 0.01 0.87 0.05 -0.22 -1.00 0.00 0.00 179.01 178.73 1up4 h LYS 270 N 0.77 0.29 0.03 2.33 3.64 -1.78 -0.31 116.57 121.55 1up4 h LYS 270 Ca 0.14 -0.03 -0.21 0.00 -1.27 0.00 0.00 60.65 59.28 1up4 h LYS 270 Cb 0.53 -0.06 0.02 0.00 -0.41 0.00 0.00 32.23 32.31 1up4 h LYS 270 CO 0.03 0.27 -0.83 0.93 -2.27 0.00 0.00 179.45 177.58 1up4 h GLU 271 N 0.29 0.51 -0.61 1.90 5.08 -1.10 -2.81 114.58 117.85 1up4 h GLU 271 Ca 0.07 -0.59 -0.08 0.00 -1.00 0.00 0.00 59.36 57.76 1up4 h GLU 271 Cb 0.11 0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 1up4 h GLU 271 CO -0.00 1.22 0.07 -0.07 -1.00 0.00 0.00 179.01 179.23 1up4 h LEU 272 N 0.06 0.97 -0.77 1.33 3.38 -0.79 -2.30 115.31 117.18 1up4 h LEU 272 Ca -0.11 -0.24 -0.09 0.00 0.09 0.00 0.00 57.88 57.53 1up4 h LEU 272 Cb 1.53 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 42.01 1up4 h LEU 272 CO 0.16 0.99 -0.06 -0.26 0.09 0.00 0.00 178.44 179.37 1up4 h PHE 273 N 0.95 0.95 -0.46 1.13 -1.00 -1.09 0.12 116.94 117.54 1up4 h PHE 273 Ca 0.19 -0.16 -0.06 0.00 2.81 0.00 0.00 57.97 60.74 1up4 h PHE 273 Cb 0.45 -0.25 -0.02 0.00 3.61 0.00 0.00 35.95 39.74 1up4 h PHE 273 CO 0.03 0.89 0.04 0.93 -1.61 0.00 0.00 178.31 178.60 1up4 h GLU 274 N 0.80 0.73 -0.43 1.51 5.08 -1.40 -2.82 114.58 118.04 1up4 h GLU 274 Ca 0.14 -0.17 -0.13 0.00 -1.00 0.00 0.00 59.36 58.20 1up4 h GLU 274 Cb 0.56 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1up4 h GLU 274 CO 0.03 0.71 -0.25 0.87 -1.00 0.00 0.00 179.01 179.37 1up4 h LYS 275 N 0.69 0.91 0.00 2.33 1.57 -0.82 -3.21 116.57 118.05 1up4 h LYS 275 Ca 0.15 -0.40 -0.03 0.00 -1.87 0.00 0.00 60.65 58.50 1up4 h LYS 275 Cb 0.36 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.64 1up4 h LYS 275 CO 0.01 1.05 -0.15 1.88 -0.57 0.00 0.00 179.45 181.67 1up4 h TYR 276 N 0.78 0.00 0.00 -1.35 0.05 -0.54 -1.05 116.97 114.86 1up4 h TYR 276 Ca 0.10 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.85 1up4 h TYR 276 Cb 0.81 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.55 1up4 h TYR 276 CO 0.05 0.15 -0.14 0.00 -1.05 0.00 0.00 178.16 177.17 1up4 h ARG 277 N 0.00 0.00 0.00 4.88 3.08 -1.50 -3.30 114.38 117.54 1up4 h ARG 277 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1up4 h ARG 277 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.33 1up4 h ARG 277 CO 0.02 0.14 -0.94 0.25 -1.07 0.00 0.00 179.97 178.37 1up4 n THR 278 N -3.66 0.00 -2.46 2.04 -2.24 -0.78 -5.05 114.28 102.13 1up4 n THR 278 Ca -0.02 -0.23 -0.35 0.00 -2.27 0.00 0.00 64.05 61.19 1up4 n THR 278 Cb 0.26 0.59 -0.03 0.00 -2.10 0.00 0.00 70.33 69.06 1up4 n THR 278 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1up4 s ALA 279 N -2.16 2.86 -0.48 6.98 0.00 -0.47 -4.96 121.76 123.52 1up4 s ALA 279 Ca -0.01 0.68 0.04 0.00 0.00 0.00 0.00 51.96 52.68 1up4 s ALA 279 Cb 0.05 -3.29 0.02 0.00 0.00 0.00 0.00 23.12 19.90 1up4 s ALA 279 CO 0.29 -0.43 0.57 1.33 0.00 0.00 0.00 175.76 177.52 1up4 n VAL 280 N -0.93 0.00 -3.65 0.00 0.24 -1.26 -4.95 118.33 107.78 1up4 n VAL 280 Ca 0.09 -0.49 -0.11 0.00 -2.04 0.00 0.00 64.34 61.80 1up4 n VAL 280 Cb 0.52 1.08 -0.05 0.00 -1.47 0.00 0.00 33.84 33.91 1up4 n VAL 280 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1up4 s GLU 281 N -0.49 1.03 0.02 7.34 2.02 -1.26 -4.70 118.70 122.66 1up4 s GLU 281 Ca 0.04 -0.66 -0.30 0.00 0.02 0.00 0.00 54.97 54.07 1up4 s GLU 281 Cb 0.03 0.45 -0.06 0.00 0.10 0.00 0.00 34.13 34.65 1up4 s GLU 281 CO 0.07 -0.39 1.47 0.42 0.02 0.00 0.00 175.26 176.84 1up4 s ILE 282 N -3.57 3.51 0.51 -1.63 1.01 -1.26 -4.99 121.20 114.79 1up4 s ILE 282 Ca 0.02 0.93 -0.21 0.00 0.00 0.00 0.00 60.65 61.39 1up4 s ILE 282 Cb 0.02 -3.60 -0.07 0.00 0.01 0.00 0.00 42.46 38.82 1up4 s ILE 282 CO -0.10 0.00 1.13 -2.16 0.00 0.00 0.00 174.94 173.81 1up4 s PRO 283 N 2.39 3.52 0.42 2.79 0.04 -1.26 -4.94 135.00 137.95 1up4 s PRO 283 Ca 0.66 1.64 0.15 0.00 0.04 0.00 0.00 61.00 63.50 1up4 s PRO 283 Cb -0.34 -2.14 1.04 0.00 0.04 0.00 0.00 34.50 33.10 1up4 s PRO 283 CO 0.28 -0.72 1.90 0.93 0.04 0.00 0.00 177.00 179.44 1up4 h GLU 284 N 1.49 0.43 -5.20 4.56 5.08 -2.06 -3.53 114.58 115.35 1up4 h GLU 284 Ca -0.50 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 57.73 1up4 h GLU 284 Cb 1.25 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 1up4 h GLU 284 CO 0.58 0.28 0.34 -1.21 -1.00 0.00 0.00 179.01 178.00 1up4 s GLU 285 N -5.44 1.51 0.00 2.33 2.02 -1.26 -5.28 118.70 112.58 1up4 s GLU 285 Ca -0.08 -0.66 0.00 0.00 0.02 0.00 0.00 54.97 54.25 1up4 s GLU 285 Cb 0.21 -5.06 0.00 0.00 0.10 0.00 0.00 34.13 29.39 1up4 s GLU 285 CO 0.77 -5.15 0.00 0.45 0.02 0.00 0.00 175.26 171.35 1up4 n SER 292 N 18.34 0.00 0.00 -0.19 2.88 -1.26 -5.15 113.62 128.24 1up4 n SER 292 Ca 0.42 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.96 1up4 n SER 292 Cb 0.47 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 1up4 n SER 292 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1up4 n TYR 294 N 0.00 0.00 0.12 0.66 4.11 -1.26 -4.72 117.16 116.07 1up4 n TYR 294 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.90 57.77 1up4 n TYR 294 Cb 0.00 -0.05 -0.06 0.00 -0.00 0.00 0.00 39.34 39.23 1up4 n TYR 294 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.86 177.52 1up4 h SER 295 N 0.00 -0.43 -0.69 9.48 4.64 -1.94 -1.68 113.55 122.93 1up4 h SER 295 Ca 0.00 0.04 0.06 0.00 -0.47 0.00 0.00 61.79 61.42 1up4 h SER 295 Cb 0.00 0.15 -0.05 0.00 -0.31 0.00 0.00 62.40 62.19 1up4 h SER 295 CO 0.00 -0.24 0.39 0.74 -0.87 0.00 0.00 176.83 176.85 1up4 h THR 296 N -0.35 0.99 -0.47 2.95 2.02 -1.86 -1.34 112.91 114.85 1up4 h THR 296 Ca 0.01 -0.25 0.03 0.00 0.77 0.00 0.00 66.41 66.97 1up4 h THR 296 Cb 0.34 0.20 -0.04 0.00 -1.74 0.00 0.00 68.15 66.91 1up4 h THR 296 CO -0.05 0.13 0.25 0.00 0.37 0.00 0.00 175.52 176.23 1up4 h ALA 297 N 1.35 0.59 -0.13 6.16 0.00 -1.88 0.77 119.26 126.12 1up4 h ALA 297 Ca 0.30 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 1up4 h ALA 297 Cb 0.16 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1up4 h ALA 297 CO -0.17 -0.08 -0.04 0.00 0.00 0.00 0.00 179.25 178.96 1up4 h ALA 298 N 1.23 0.17 -0.64 0.00 0.00 -0.62 -1.52 119.26 117.88 1up4 h ALA 298 Ca 0.20 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 1up4 h ALA 298 Cb 0.07 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1up4 h ALA 298 CO -0.12 -0.06 0.07 0.00 0.00 0.00 0.00 179.25 179.14 1up4 h ALA 299 N 0.68 0.85 -0.22 0.00 0.00 -1.13 -1.49 119.26 117.94 1up4 h ALA 299 Ca 0.03 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.55 1up4 h ALA 299 Cb 0.48 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1up4 h ALA 299 CO 0.02 0.64 -0.32 0.45 0.00 0.00 0.00 179.25 180.04 1up4 h HIS 300 N 0.99 0.53 -0.29 0.00 3.86 -0.78 0.21 115.15 119.67 1up4 h HIS 300 Ca 0.19 -0.13 -0.03 0.00 -1.16 0.00 0.00 60.37 59.24 1up4 h HIS 300 Cb 0.48 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.81 1up4 h HIS 300 CO 0.04 0.73 0.07 1.25 0.86 0.00 0.00 177.93 180.87 1up4 h LEU 301 N 0.40 0.45 -0.52 2.43 5.85 -0.97 -1.87 115.31 121.08 1up4 h LEU 301 Ca 0.05 -0.24 -0.10 0.00 0.84 0.00 0.00 57.88 58.43 1up4 h LEU 301 Cb 0.76 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 1up4 h LEU 301 CO 0.06 0.57 -0.07 0.40 -0.34 0.00 0.00 178.44 179.07 1up4 h ILE 302 N 0.31 1.27 -0.82 4.05 2.04 -0.98 -0.02 117.51 123.36 1up4 h ILE 302 Ca 0.09 -1.20 0.14 0.00 1.00 0.00 0.00 64.86 64.89 1up4 h ILE 302 Cb 0.30 0.98 -0.09 0.00 -0.74 0.00 0.00 36.82 37.27 1up4 h ILE 302 CO 0.00 0.42 0.40 -0.09 0.00 0.00 0.00 178.15 178.88 1up4 h ARG 303 N 0.84 0.56 0.00 2.37 2.43 -0.85 -2.01 114.38 117.72 1up4 h ARG 303 Ca 0.14 -0.03 -0.18 0.00 -0.81 0.00 0.00 59.98 59.10 1up4 h ARG 303 Cb 0.62 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.01 1up4 h ARG 303 CO 0.04 0.37 -1.34 -0.44 -1.51 0.00 0.00 179.97 177.09 1up4 h ASP 304 N 0.57 0.00 -0.22 -3.80 3.32 -0.67 -2.08 116.42 113.54 1up4 h ASP 304 Ca 0.45 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.49 1up4 h ASP 304 Cb 0.64 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.18 1up4 h ASP 304 CO -0.37 0.63 0.13 -0.07 -1.72 0.00 0.00 179.24 177.85 1up4 h LEU 305 N 0.00 0.28 0.01 1.55 -0.00 -0.95 -3.31 115.31 112.89 1up4 h LEU 305 Ca -0.16 -0.01 -0.02 0.00 -0.00 0.00 0.00 57.88 57.69 1up4 h LEU 305 Cb 1.62 -0.07 0.00 0.00 -0.00 0.00 0.00 40.66 42.21 1up4 h LEU 305 CO 0.05 0.22 -0.09 -0.33 -0.00 0.00 0.00 178.44 178.30 1up4 h GLU 306 N 0.32 0.04 -7.43 1.13 4.39 -0.97 0.31 114.58 112.37 1up4 h GLU 306 Ca 0.09 -0.06 -0.46 0.00 0.34 0.00 0.00 59.36 59.26 1up4 h GLU 306 Cb 0.00 0.02 0.09 0.00 -0.10 0.00 0.00 28.75 28.76 1up4 h GLU 306 CO -0.02 0.95 0.30 0.95 -1.16 0.00 0.00 179.01 180.03 1up4 s THR 307 N -2.59 2.17 -0.93 1.13 -4.23 -0.82 -4.66 115.64 105.71 1up4 s THR 307 Ca -0.18 -0.15 0.17 0.00 -1.18 0.00 0.00 61.69 60.35 1up4 s THR 307 Cb -0.02 -3.00 0.64 0.00 1.34 0.00 0.00 72.50 71.46 1up4 s THR 307 CO 0.70 -0.01 1.55 -0.67 -0.54 0.00 0.00 174.62 175.66 1up4 n ASP 308 N -3.09 4.41 0.13 3.99 2.03 -1.26 -1.35 116.55 121.41 1up4 n ASP 308 Ca 0.08 -2.48 -0.13 0.00 0.52 0.00 0.00 54.79 52.77 1up4 n ASP 308 Cb 0.61 -0.53 -0.07 0.00 -0.72 0.00 0.00 41.12 40.41 1up4 n ASP 308 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1up4 h GLU 309 N 3.45 -0.25 -1.19 -0.67 4.81 -1.90 -3.47 114.58 115.36 1up4 h GLU 309 Ca 0.00 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1up4 h GLU 309 Cb 1.37 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.80 1up4 h GLU 309 CO 0.21 -0.16 0.00 0.41 -0.73 0.00 0.00 179.01 178.73 1up4 n GLY 310 N -1.21 -1.10 3.03 1.92 0.00 -1.24 -5.07 105.19 101.53 1up4 n GLY 310 Ca -0.09 -0.71 -0.09 0.00 0.00 0.00 0.00 46.02 45.14 1up4 n GLY 310 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1up4 s LYS 311 N -0.95 0.43 -0.16 1.61 -0.14 -0.64 -4.90 119.74 114.99 1up4 s LYS 311 Ca 0.00 -0.76 -0.20 0.00 -1.36 0.00 0.00 55.97 53.65 1up4 s LYS 311 Cb 0.00 0.16 -0.03 0.00 -1.68 0.00 0.00 37.83 36.27 1up4 s LYS 311 CO 0.00 -0.08 0.57 0.42 -0.76 0.00 0.00 175.35 175.49 1up4 s ILE 312 N -2.21 5.09 -0.00 2.17 -1.09 -1.26 -0.18 121.20 123.73 1up4 s ILE 312 Ca -0.09 1.09 0.02 0.00 -2.23 0.00 0.00 60.65 59.45 1up4 s ILE 312 Cb -0.04 -3.89 -0.01 0.00 -1.58 0.00 0.00 42.46 36.94 1up4 s ILE 312 CO -0.03 0.20 -0.07 -1.00 -1.23 0.00 0.00 174.94 172.80 1up4 s HIS 313 N 1.36 0.65 -0.31 3.97 3.76 -0.44 -4.93 115.29 119.36 1up4 s HIS 313 Ca 0.28 -0.14 -0.24 0.00 -0.15 0.00 0.00 55.06 54.81 1up4 s HIS 313 Cb -0.16 -0.42 0.00 0.00 1.11 0.00 0.00 32.58 33.12 1up4 s HIS 313 CO 0.11 -0.01 0.83 0.42 -0.85 0.00 0.00 174.74 175.24 1up4 s ILE 314 N -0.22 4.75 0.18 0.60 1.01 -1.26 -0.39 121.20 125.87 1up4 s ILE 314 Ca 0.02 1.24 0.00 0.00 0.00 0.00 0.00 60.65 61.92 1up4 s ILE 314 Cb -0.03 -4.19 -0.04 0.00 0.01 0.00 0.00 42.46 38.21 1up4 s ILE 314 CO -0.00 -0.29 0.07 0.68 0.00 0.00 0.00 174.94 175.39 1up4 s VAL 315 N 3.06 0.33 -0.25 2.92 -7.23 -0.42 -4.87 120.40 113.95 1up4 s VAL 315 Ca 0.34 -1.97 -0.18 0.00 -1.81 0.00 0.00 61.98 58.36 1up4 s VAL 315 Cb -0.14 -2.30 -0.03 0.00 0.56 0.00 0.00 36.38 34.48 1up4 s VAL 315 CO 0.13 -0.26 0.52 0.20 -0.31 0.00 0.00 175.10 175.38 1up4 s ASN 316 N -3.16 6.47 0.26 4.85 0.01 0.51 -1.18 114.94 122.70 1up4 s ASN 316 Ca 0.30 0.57 -0.21 0.00 -0.71 0.00 0.00 52.86 52.81 1up4 s ASN 316 Cb 0.07 -2.29 0.05 0.00 0.41 0.00 0.00 41.25 39.49 1up4 s ASN 316 CO 0.07 -0.26 0.85 0.28 -1.51 0.00 0.00 177.10 176.52 1up4 s THR 317 N 2.15 0.00 0.32 1.60 -1.32 -0.36 -2.52 115.64 115.51 1up4 s THR 317 Ca 0.22 -0.86 -0.29 0.00 -1.21 0.00 0.00 61.69 59.55 1up4 s THR 317 Cb -0.16 -2.38 -0.11 0.00 -1.51 0.00 0.00 72.50 68.35 1up4 s THR 317 CO 0.09 0.00 1.56 -0.13 -2.21 0.00 0.00 174.62 173.94 1up4 s ARG 318 N -3.06 4.11 0.12 7.08 0.52 -1.26 -0.17 118.95 126.29 1up4 s ARG 318 Ca 0.14 2.58 -0.29 0.00 -0.52 0.00 0.00 55.73 57.64 1up4 s ARG 318 Cb -0.04 -3.00 -0.09 0.00 0.52 0.00 0.00 34.95 32.33 1up4 s ARG 318 CO 0.07 -0.61 1.48 -0.97 0.02 0.00 0.00 175.30 175.29 1up4 h ASN 319 N 4.29 -1.66 -6.80 0.23 -1.24 -0.56 -3.45 115.58 106.38 1up4 h ASN 319 Ca -0.48 0.22 -0.56 0.00 0.71 0.00 0.00 56.30 56.19 1up4 h ASN 319 Cb 1.23 0.69 -0.12 0.00 0.73 0.00 0.00 38.32 40.84 1up4 h ASN 319 CO 0.75 -0.35 -0.94 0.59 -1.29 0.00 0.00 177.43 176.19 1up4 n ASN 320 N -5.04 -0.15 0.00 1.15 5.03 -0.36 -1.78 115.26 114.11 1up4 n ASN 320 Ca -0.03 -1.16 0.00 0.00 0.87 0.00 0.00 54.58 54.26 1up4 n ASN 320 Cb 0.30 -2.27 0.00 0.00 -1.02 0.00 0.00 39.78 36.79 1up4 n ASN 320 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1up4 n GLY 321 N -2.27 0.94 0.20 7.41 0.00 -1.26 -4.90 105.19 105.30 1up4 n GLY 321 Ca -0.30 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.60 1up4 n GLY 321 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1up4 h SER 322 N 0.00 -0.44 -3.69 1.61 0.87 -1.51 -3.38 113.55 107.01 1up4 h SER 322 Ca 0.00 0.06 -0.69 0.00 -1.23 0.00 0.00 61.79 59.92 1up4 h SER 322 Cb 0.00 0.17 -0.29 0.00 -0.44 0.00 0.00 62.40 61.84 1up4 h SER 322 CO 0.00 -0.22 -0.62 -0.63 -0.53 0.00 0.00 176.83 174.83 1up4 s ILE 323 N -6.13 3.63 -0.28 2.23 -1.09 -1.26 -1.31 121.20 117.00 1up4 s ILE 323 Ca -0.15 -1.19 0.27 0.00 -2.23 0.00 0.00 60.65 57.35 1up4 s ILE 323 Cb 0.08 -3.07 0.30 0.00 -1.58 0.00 0.00 42.46 38.18 1up4 s ILE 323 CO 0.66 -0.18 1.81 1.05 -1.23 0.00 0.00 174.94 177.05 1up4 h GLU 324 N 8.18 0.00 0.00 2.79 4.11 -1.46 -1.85 114.58 126.34 1up4 h GLU 324 Ca -0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.20 1up4 h GLU 324 Cb 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1up4 h GLU 324 CO 0.59 0.00 0.00 -1.71 0.07 0.00 0.00 179.01 177.96 1up4 n ASN 325 N -2.51 0.00 -4.21 3.06 2.85 -1.26 -4.87 115.26 108.31 1up4 n ASN 325 Ca 0.01 0.49 -0.20 0.00 -0.11 0.00 0.00 54.58 54.77 1up4 n ASN 325 Cb 0.24 -0.50 -0.12 0.00 1.24 0.00 0.00 39.78 40.65 1up4 n ASN 325 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1up4 s LEU 326 N -2.99 2.28 0.47 1.20 1.02 -0.70 -4.97 118.68 114.98 1up4 s LEU 326 Ca 0.11 -0.64 -0.25 0.00 0.02 0.00 0.00 54.13 53.38 1up4 s LEU 326 Cb 0.15 -0.66 -0.08 0.00 0.02 0.00 0.00 46.19 45.63 1up4 s LEU 326 CO 0.42 -0.02 1.43 -2.65 0.02 0.00 0.00 176.35 175.54 1up4 n PRO 327 N 1.24 2.18 -0.34 1.29 -0.02 -1.26 -4.84 135.00 133.25 1up4 n PRO 327 Ca -0.20 0.78 0.22 0.00 -2.02 0.00 0.00 63.50 62.27 1up4 n PRO 327 Cb 0.54 -2.63 0.47 0.00 -0.02 0.00 0.00 33.50 31.86 1up4 n PRO 327 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1up4 h ASP 328 N 2.17 0.52 0.56 2.55 3.32 -1.96 -2.85 116.42 120.73 1up4 h ASP 328 Ca -0.51 0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.65 1up4 h ASP 328 Cb 1.27 0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.85 1up4 h ASP 328 CO 0.60 0.07 -0.39 -0.90 -1.72 0.00 0.00 179.24 176.91 1up4 n ASP 329 N -4.73 0.46 -4.67 6.45 5.75 -1.26 -1.22 116.55 117.32 1up4 n ASP 329 Ca 0.27 -0.19 -0.47 0.00 -0.01 0.00 0.00 54.79 54.39 1up4 n ASP 329 Cb 0.86 0.11 -0.04 0.00 -1.03 0.00 0.00 41.12 41.02 1up4 n ASP 329 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 1up4 n TYR 330 N -1.42 2.29 -2.42 2.11 4.02 -1.08 -4.67 117.16 115.99 1up4 n TYR 330 Ca 0.06 0.14 -0.43 0.00 -0.01 0.00 0.00 57.90 57.67 1up4 n TYR 330 Cb 0.33 -2.60 -0.02 0.00 -0.02 0.00 0.00 39.34 37.03 1up4 n TYR 330 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1up4 s VAL 331 N 2.46 4.24 0.31 -0.72 1.01 -1.26 -0.61 120.40 125.83 1up4 s VAL 331 Ca 0.86 1.52 0.09 0.00 0.00 0.00 0.00 61.98 64.45 1up4 s VAL 331 Cb -0.69 -3.98 -0.06 0.00 0.00 0.00 0.00 36.38 31.65 1up4 s VAL 331 CO 0.45 -0.09 -0.10 -0.76 0.00 0.00 0.00 175.10 174.59 1up4 s LEU 332 N 3.10 2.62 -0.44 3.92 1.43 0.75 -4.85 118.68 125.22 1up4 s LEU 332 Ca 0.56 -1.16 -0.19 0.00 -1.03 0.00 0.00 54.13 52.31 1up4 s LEU 332 Cb -0.23 -0.89 0.03 0.00 0.03 0.00 0.00 46.19 45.13 1up4 s LEU 332 CO 0.17 -0.20 0.54 -0.70 0.23 0.00 0.00 176.35 176.39 1up4 s GLU 333 N -3.63 3.17 0.05 1.70 2.12 0.58 -1.22 118.70 121.48 1up4 s GLU 333 Ca 0.31 -0.61 -0.09 0.00 0.36 0.00 0.00 54.97 54.93 1up4 s GLU 333 Cb 0.01 -3.97 0.00 0.00 0.26 0.00 0.00 34.13 30.43 1up4 s GLU 333 CO 0.14 -0.95 0.18 0.96 -0.54 0.00 0.00 175.26 175.05 1up4 s ILE 334 N 2.47 0.12 0.15 -3.70 -4.36 -0.33 -3.48 121.20 112.06 1up4 s ILE 334 Ca 0.17 -0.98 -0.31 0.00 -0.26 0.00 0.00 60.65 59.26 1up4 s ILE 334 Cb -0.16 -1.01 -0.09 0.00 1.25 0.00 0.00 42.46 42.45 1up4 s ILE 334 CO 0.16 -0.54 1.47 -2.84 0.24 0.00 0.00 174.94 173.42 1up4 s PRO 335 N -2.87 4.27 0.15 0.37 0.02 -1.26 -1.30 135.00 134.39 1up4 s PRO 335 Ca -0.03 2.21 0.06 0.00 0.02 0.00 0.00 61.00 63.27 1up4 s PRO 335 Cb 0.00 -3.20 -0.04 0.00 0.02 0.00 0.00 34.50 31.29 1up4 s PRO 335 CO -0.06 -0.50 -0.14 0.00 -0.33 0.00 0.00 177.00 175.97 1up4 s TYR 337 N -2.54 3.35 -0.12 0.00 5.04 0.16 -1.33 117.35 121.91 1up4 s TYR 337 Ca 0.14 0.75 0.01 0.00 -2.44 0.00 0.00 57.07 55.53 1up4 s TYR 337 Cb -0.03 -2.69 -0.01 0.00 0.35 0.00 0.00 41.96 39.58 1up4 s TYR 337 CO 0.04 -0.15 -0.15 0.08 -1.34 0.00 0.00 175.55 174.03 1up4 s VAL 338 N 1.82 2.92 -0.29 3.14 1.01 0.75 -0.00 120.40 129.74 1up4 s VAL 338 Ca 0.24 -0.72 -0.15 0.00 0.00 0.00 0.00 61.98 61.35 1up4 s VAL 338 Cb -0.15 -2.21 0.16 0.00 0.00 0.00 0.00 36.38 34.18 1up4 s VAL 338 CO 0.09 0.54 0.98 -0.60 0.00 0.00 0.00 175.10 176.11 1up4 s ARG 339 N 0.23 0.34 -1.27 2.72 3.52 -0.45 -1.62 118.95 122.41 1up4 s ARG 339 Ca -0.09 0.70 -0.18 0.00 -0.13 0.00 0.00 55.73 56.03 1up4 s ARG 339 Cb -0.16 0.26 0.01 0.00 -1.56 0.00 0.00 34.95 33.50 1up4 s ARG 339 CO 0.06 -0.09 0.58 0.43 -0.81 0.00 0.00 175.30 175.46 1up4 n SER 340 N 4.31 -3.04 0.00 -2.12 7.64 -0.46 -1.66 113.62 118.29 1up4 n SER 340 Ca -0.14 -1.13 0.00 0.00 1.01 0.00 0.00 58.87 58.61 1up4 n SER 340 Cb 0.55 -2.59 0.00 0.00 -1.01 0.00 0.00 64.21 61.16 1up4 n SER 340 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1up4 n GLY 341 N -1.98 1.56 3.37 0.23 0.00 0.11 -5.00 105.19 103.47 1up4 n GLY 341 Ca -0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.57 1up4 n GLY 341 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1up4 s ARG 342 N -0.25 1.35 -0.25 1.61 0.52 -0.66 -5.07 118.95 116.19 1up4 s ARG 342 Ca 0.00 -1.34 0.02 0.00 -0.52 0.00 0.00 55.73 53.89 1up4 s ARG 342 Cb 0.00 -1.74 0.06 0.00 0.52 0.00 0.00 34.95 33.79 1up4 s ARG 342 CO 0.00 0.40 -0.07 0.08 0.02 0.00 0.00 175.30 175.74 1up4 s VAL 343 N -1.22 1.82 -0.16 3.52 1.01 -1.26 -1.34 120.40 122.76 1up4 s VAL 343 Ca 0.13 -1.47 -0.07 0.00 0.00 0.00 0.00 61.98 60.57 1up4 s VAL 343 Cb -0.09 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 1up4 s VAL 343 CO 0.06 -0.12 0.08 -1.00 0.00 0.00 0.00 175.10 174.13 1up4 s HIS 344 N 1.25 3.34 0.54 5.22 3.76 0.99 -4.93 115.29 125.46 1up4 s HIS 344 Ca -0.06 0.23 -0.16 0.00 -0.15 0.00 0.00 55.06 54.92 1up4 s HIS 344 Cb -0.19 -2.03 -0.07 0.00 1.11 0.00 0.00 32.58 31.40 1up4 s HIS 344 CO -0.06 0.34 1.00 0.95 -0.85 0.00 0.00 174.74 176.12 1up4 s THR 345 N -0.07 4.36 -0.01 1.30 -4.23 -1.26 0.36 115.64 116.09 1up4 s THR 345 Ca 0.08 1.12 0.03 0.00 -1.18 0.00 0.00 61.69 61.73 1up4 s THR 345 Cb -0.12 -3.64 -0.03 0.00 1.34 0.00 0.00 72.50 70.05 1up4 s THR 345 CO 0.01 -0.66 -0.05 -0.76 -0.54 0.00 0.00 174.62 172.62 1up4 s LEU 346 N -4.21 3.25 0.21 4.79 1.02 -1.25 -4.83 118.68 117.67 1up4 s LEU 346 Ca 0.60 -0.10 -0.32 0.00 0.02 0.00 0.00 54.13 54.33 1up4 s LEU 346 Cb -0.11 -1.84 -0.14 0.00 0.02 0.00 0.00 46.19 44.11 1up4 s LEU 346 CO 0.33 0.29 1.36 -1.20 0.02 0.00 0.00 176.35 177.16 1up4 n SER 347 N 1.61 2.40 0.00 2.29 7.64 -1.26 -4.17 113.62 122.12 1up4 n SER 347 Ca -0.16 1.14 0.00 0.00 1.01 0.00 0.00 58.87 60.86 1up4 n SER 347 Cb 0.53 -1.37 0.00 0.00 -1.01 0.00 0.00 64.21 62.36 1up4 n SER 347 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1up4 n GLN 348 N 2.10 3.31 0.00 1.43 6.02 -0.42 -5.02 117.38 124.80 1up4 n GLN 348 Ca 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.12 1up4 n GLN 348 Cb 0.29 -0.37 0.00 0.00 1.02 0.00 0.00 30.24 31.18 1up4 n GLN 348 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1up4 n GLY 349 N 0.67 0.03 3.87 1.08 0.00 -1.23 -4.96 105.19 104.66 1up4 n GLY 349 Ca 0.00 -1.37 -0.34 0.00 0.00 0.00 0.00 46.02 44.31 1up4 n GLY 349 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1up4 s LYS 350 N 0.00 3.78 0.31 1.61 1.02 -1.26 -1.57 119.74 123.63 1up4 s LYS 350 Ca 0.00 0.20 -0.11 0.00 0.02 0.00 0.00 55.97 56.09 1up4 s LYS 350 Cb 0.00 -2.93 -0.07 0.00 -0.52 0.00 0.00 37.83 34.30 1up4 s LYS 350 CO 0.00 0.51 0.65 0.20 -0.92 0.00 0.00 175.35 175.80 1up4 s GLY 351 N -1.89 2.15 0.40 -3.33 0.00 -1.26 -4.96 107.32 98.43 1up4 s GLY 351 Ca 0.36 -0.21 -0.27 0.00 0.00 0.00 0.00 44.72 44.60 1up4 s GLY 351 CO 0.19 -0.05 1.35 -0.35 0.00 0.00 0.00 173.10 174.25 1up4 s ASP 352 N -2.65 6.32 0.33 1.64 -1.08 -1.26 -4.88 116.67 115.09 1up4 s ASP 352 Ca 0.50 2.76 0.02 0.00 -0.52 0.00 0.00 52.55 55.31 1up4 s ASP 352 Cb -0.11 -2.65 0.59 0.00 -1.46 0.00 0.00 42.92 39.29 1up4 s ASP 352 CO 0.24 -0.85 1.95 0.45 0.52 0.00 0.00 175.17 177.47 1up4 h HIS 353 N 2.79 0.93 -0.33 -5.34 3.86 -1.99 -0.65 115.15 114.41 1up4 h HIS 353 Ca -0.50 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 58.71 1up4 h HIS 353 Cb 1.24 -0.31 -0.01 0.00 1.06 0.00 0.00 27.41 29.39 1up4 h HIS 353 CO 0.53 0.52 0.11 0.35 0.86 0.00 0.00 177.93 180.30 1up4 h PHE 354 N 0.95 0.53 -0.46 2.45 3.04 -1.98 -2.01 116.94 119.46 1up4 h PHE 354 Ca 0.33 -0.05 -0.00 0.00 3.98 0.00 0.00 57.97 62.22 1up4 h PHE 354 Cb 0.10 -0.15 -0.02 0.00 2.56 0.00 0.00 35.95 38.44 1up4 h PHE 354 CO -0.00 0.52 0.27 0.00 -2.02 0.00 0.00 178.31 177.08 1up4 h ALA 355 N 0.95 0.59 -0.20 2.41 0.00 -1.80 -3.04 119.26 118.17 1up4 h ALA 355 Ca 0.11 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1up4 h ALA 355 Cb 0.23 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1up4 h ALA 355 CO -0.00 0.09 -0.09 -0.07 0.00 0.00 0.00 179.25 179.17 1up4 h LEU 356 N 0.61 0.29 -0.75 0.00 4.07 -0.91 -1.17 115.31 117.46 1up4 h LEU 356 Ca 0.17 -0.06 0.00 0.00 0.08 0.00 0.00 57.88 58.07 1up4 h LEU 356 Cb 0.01 -0.08 -0.04 0.00 1.08 0.00 0.00 40.66 41.64 1up4 h LEU 356 CO -0.03 0.42 0.47 0.77 -1.08 0.00 0.00 178.44 179.00 1up4 h SER 357 N 0.29 0.88 -0.04 -0.43 4.64 -1.25 0.12 113.55 117.77 1up4 h SER 357 Ca 0.06 -0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.33 1up4 h SER 357 Cb 0.35 -0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1up4 h SER 357 CO 0.02 0.66 -0.02 -0.26 -0.87 0.00 0.00 176.83 176.36 1up4 h PHE 358 N 1.02 0.09 -0.32 4.77 0.04 -1.45 -2.68 116.94 118.41 1up4 h PHE 358 Ca 0.27 -0.02 0.06 0.00 2.80 0.00 0.00 57.97 61.07 1up4 h PHE 358 Cb -0.08 -0.02 -0.05 0.00 2.20 0.00 0.00 35.95 38.00 1up4 h PHE 358 CO -0.01 0.47 -0.00 0.82 -0.60 0.00 0.00 178.31 178.99 1up4 h ILE 359 N -0.32 0.77 -0.19 -0.55 2.04 -0.76 -2.39 117.51 116.12 1up4 h ILE 359 Ca 0.01 -0.03 -0.00 0.00 1.00 0.00 0.00 64.86 65.84 1up4 h ILE 359 Cb 0.45 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 1up4 h ILE 359 CO 0.01 0.02 0.12 0.45 0.00 0.00 0.00 178.15 178.74 1up4 h HIS 360 N 0.09 0.24 0.05 1.37 3.86 -0.86 -1.61 115.15 118.29 1up4 h HIS 360 Ca 0.15 0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.38 1up4 h HIS 360 Cb 0.21 -0.08 -0.03 0.00 1.06 0.00 0.00 27.41 28.57 1up4 h HIS 360 CO -0.23 0.18 -0.16 0.00 0.86 0.00 0.00 177.93 178.58 1up4 h ALA 361 N 1.04 -0.23 0.00 2.45 0.00 -1.12 -3.02 119.26 118.37 1up4 h ALA 361 Ca 0.07 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1up4 h ALA 361 Cb 0.01 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1up4 h ALA 361 CO -0.01 -0.67 -0.41 -0.39 0.00 0.00 0.00 179.25 177.76 1up4 h VAL 362 N -0.29 0.30 0.00 0.00 -1.51 -1.47 -2.44 116.25 110.83 1up4 h VAL 362 Ca 0.04 -1.44 0.00 0.00 -1.23 0.00 0.00 66.70 64.06 1up4 h VAL 362 Cb 0.34 2.06 0.00 0.00 -2.13 0.00 0.00 31.29 31.55 1up4 h VAL 362 CO -0.12 0.17 0.00 1.17 -1.23 0.00 0.00 177.57 177.56 1up4 n LYS 363 N -3.06 0.11 0.00 5.19 3.00 -0.61 0.18 118.16 122.97 1up4 n LYS 363 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.33 1up4 n LYS 363 Cb 0.62 -1.29 0.00 0.00 0.00 0.00 0.00 35.03 34.36 1up4 n LYS 363 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.40 178.38 1up4 n TYR 365 N 0.74 0.00 -0.07 5.64 4.19 -0.92 -1.84 117.16 124.91 1up4 n TYR 365 Ca 0.00 0.00 -0.09 0.00 3.31 0.00 0.00 57.90 61.12 1up4 n TYR 365 Cb 0.04 0.00 -0.02 0.00 0.49 0.00 0.00 39.34 39.86 1up4 n TYR 365 CO 0.00 0.00 0.00 0.93 0.91 0.00 0.00 176.86 178.70 1up4 h GLU 366 N 0.00 0.28 -0.09 2.98 5.08 -0.56 -1.05 114.58 121.22 1up4 h GLU 366 Ca 0.00 -0.02 -0.19 0.00 -1.00 0.00 0.00 59.36 58.15 1up4 h GLU 366 Cb 0.00 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 1up4 h GLU 366 CO 0.00 0.19 -0.73 0.00 -1.00 0.00 0.00 179.01 177.46 1up4 h ARG 367 N 0.29 0.45 -0.82 2.33 3.08 -1.63 -2.12 114.38 115.96 1up4 h ARG 367 Ca 0.10 -0.37 -0.00 0.00 0.07 0.00 0.00 59.98 59.78 1up4 h ARG 367 Cb 0.01 0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.10 1up4 h ARG 367 CO -0.06 1.00 0.51 -0.07 -1.07 0.00 0.00 179.97 180.28 1up4 h LEU 368 N 0.31 0.98 -0.17 3.04 3.38 -1.78 -0.81 115.31 120.27 1up4 h LEU 368 Ca -0.03 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1up4 h LEU 368 Cb 1.31 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 1up4 h LEU 368 CO 0.13 0.75 0.01 0.74 0.09 0.00 0.00 178.44 180.15 1up4 h THR 369 N 1.13 1.24 -0.47 0.22 2.02 -1.02 -1.81 112.91 114.23 1up4 h THR 369 Ca 0.30 -0.80 0.04 0.00 0.77 0.00 0.00 66.41 66.71 1up4 h THR 369 Cb -0.06 1.45 -0.04 0.00 -1.74 0.00 0.00 68.15 67.76 1up4 h THR 369 CO -0.06 0.24 0.23 0.40 0.37 0.00 0.00 175.52 176.71 1up4 h ILE 370 N 0.05 0.96 -0.89 3.11 2.04 -1.18 -1.49 117.51 120.11 1up4 h ILE 370 Ca 0.05 -0.16 0.01 0.00 1.00 0.00 0.00 64.86 65.76 1up4 h ILE 370 Cb 0.36 0.46 -0.04 0.00 -0.74 0.00 0.00 36.82 36.85 1up4 h ILE 370 CO 0.01 0.08 0.59 -0.33 0.00 0.00 0.00 178.15 178.50 1up4 h GLU 371 N 0.46 1.17 -0.46 2.37 5.08 -1.02 0.14 114.58 122.33 1up4 h GLU 371 Ca 0.20 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1up4 h GLU 371 Cb 0.11 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 1up4 h GLU 371 CO -0.14 0.77 0.29 0.00 -1.00 0.00 0.00 179.01 178.93 1up4 h ALA 372 N 1.33 0.58 -0.08 3.43 0.00 -1.01 -1.86 119.26 121.66 1up4 h ALA 372 Ca 0.33 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 1up4 h ALA 372 Cb -0.13 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 1up4 h ALA 372 CO -0.07 0.04 0.03 -0.92 0.00 0.00 0.00 179.25 178.33 1up4 h TYR 373 N 0.61 0.12 -0.48 0.00 3.20 -0.26 -0.43 116.97 119.73 1up4 h TYR 373 Ca 0.17 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.05 1up4 h TYR 373 Cb -0.05 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.16 1up4 h TYR 373 CO -0.04 0.26 0.32 -0.07 -1.64 0.00 0.00 178.16 176.99 1up4 h LEU 374 N -0.05 0.49 -1.56 2.82 3.38 -0.56 0.34 115.31 120.17 1up4 h LEU 374 Ca 0.03 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1up4 h LEU 374 Cb 0.19 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1up4 h LEU 374 CO -0.00 0.35 0.00 0.29 0.09 0.00 0.00 178.44 179.17 1up4 n LYS 375 N -4.47 2.04 -4.09 1.13 5.02 -0.72 -4.96 118.16 112.11 1up4 n LYS 375 Ca 0.05 -1.55 -0.30 0.00 -2.02 0.00 0.00 58.31 54.49 1up4 n LYS 375 Cb 0.11 -1.46 -0.04 0.00 -0.02 0.00 0.00 35.03 33.62 1up4 n LYS 375 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1up4 n ARG 376 N 0.81 -1.89 -4.08 1.97 1.74 0.11 -4.90 116.66 110.41 1up4 n ARG 376 Ca 0.17 0.25 -0.34 0.00 -0.77 0.00 0.00 57.85 57.16 1up4 n ARG 376 Cb 0.47 -3.91 -0.15 0.00 -1.02 0.00 0.00 32.46 27.84 1up4 n ARG 376 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1up4 s SER 377 N -4.23 3.87 0.14 0.55 0.15 -0.39 -0.50 113.70 113.27 1up4 s SER 377 Ca 0.08 -0.47 -0.17 0.00 0.70 0.00 0.00 55.95 56.09 1up4 s SER 377 Cb -0.04 -1.64 -0.02 0.00 -1.71 0.00 0.00 66.02 62.62 1up4 s SER 377 CO 0.94 0.01 1.77 0.11 1.20 0.00 0.00 173.24 177.27 1up4 h LYS 378 N 7.89 0.45 -0.49 5.44 1.57 -1.83 -2.12 116.57 127.49 1up4 h LYS 378 Ca -0.41 -0.04 0.09 0.00 -1.87 0.00 0.00 60.65 58.42 1up4 h LYS 378 Cb 1.16 -0.10 -0.07 0.00 0.08 0.00 0.00 32.23 33.30 1up4 h LYS 378 CO 0.61 0.34 0.07 0.87 -0.57 0.00 0.00 179.45 180.77 1up4 h LYS 379 N 0.44 0.19 0.00 3.15 1.57 -1.95 -1.45 116.57 118.52 1up4 h LYS 379 Ca 0.12 -0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.80 1up4 h LYS 379 Cb 0.00 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 1up4 h LYS 379 CO -0.02 0.13 -0.45 -0.07 -0.57 0.00 0.00 179.45 178.47 1up4 h LEU 380 N 0.20 0.00 -0.56 2.94 3.38 -1.91 -2.52 115.31 116.84 1up4 h LEU 380 Ca 0.24 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.14 1up4 h LEU 380 Cb 0.34 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1up4 h LEU 380 CO -0.34 0.45 0.05 0.00 0.09 0.00 0.00 178.44 178.68 1up4 h ALA 381 N 1.55 0.74 -0.47 1.53 0.00 -0.64 -1.23 119.26 120.74 1up4 h ALA 381 Ca -0.00 -0.27 0.05 0.00 0.00 0.00 0.00 54.91 54.68 1up4 h ALA 381 Cb 0.81 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 1up4 h ALA 381 CO 0.06 0.52 0.21 -0.07 0.00 0.00 0.00 179.25 179.97 1up4 h LEU 382 N 0.83 0.27 -0.56 0.00 -0.00 -1.10 0.11 115.31 114.86 1up4 h LEU 382 Ca 0.16 0.04 0.07 0.00 -0.00 0.00 0.00 57.88 58.16 1up4 h LEU 382 Cb 0.47 -0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 41.07 1up4 h LEU 382 CO 0.02 0.19 0.23 0.50 -0.00 0.00 0.00 178.44 179.37 1up4 h LYS 383 N 0.41 0.41 -0.06 1.13 3.64 -1.25 0.55 116.57 121.40 1up4 h LYS 383 Ca 0.21 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.56 1up4 h LYS 383 Cb 0.17 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1up4 h LYS 383 CO -0.18 0.27 -0.01 0.00 -2.27 0.00 0.00 179.45 177.26 1up4 h ALA 384 N 1.36 0.08 -0.75 5.00 0.00 -0.62 -2.52 119.26 121.81 1up4 h ALA 384 Ca 0.27 -0.20 0.10 0.00 0.00 0.00 0.00 54.91 55.08 1up4 h ALA 384 Cb 0.29 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.98 1up4 h ALA 384 CO -0.25 -0.22 0.39 1.25 0.00 0.00 0.00 179.25 180.42 1up4 h LEU 385 N -0.22 0.51 -2.28 0.00 5.85 -0.58 -0.17 115.31 118.42 1up4 h LEU 385 Ca 0.01 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 1up4 h LEU 385 Cb 0.39 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.39 1up4 h LEU 385 CO 0.01 0.29 -0.05 -0.07 -0.34 0.00 0.00 178.44 178.27 1up4 h LEU 386 N 0.65 0.00 0.00 2.25 3.38 -0.74 -3.09 115.31 117.76 1up4 h LEU 386 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.34 1up4 h LEU 386 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1up4 h LEU 386 CO -0.27 0.05 -0.42 -1.54 0.09 0.00 0.00 178.44 176.35 1up4 n SER 387 N -3.67 0.58 -4.70 -0.43 3.41 -0.08 -4.83 113.62 103.89 1up4 n SER 387 Ca -0.02 0.15 -0.42 0.00 -0.26 0.00 0.00 58.87 58.32 1up4 n SER 387 Cb 0.15 -0.05 -0.03 0.00 -0.26 0.00 0.00 64.21 64.01 1up4 n SER 387 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1up4 s HIS 388 N -3.09 3.38 0.59 7.33 5.04 -1.17 -4.73 115.29 122.64 1up4 s HIS 388 Ca 0.09 1.32 0.29 0.00 -1.54 0.00 0.00 55.06 55.23 1up4 s HIS 388 Cb 0.15 -3.38 1.38 0.00 0.04 0.00 0.00 32.58 30.77 1up4 s HIS 388 CO 0.67 -1.13 1.77 -1.35 -2.34 0.00 0.00 174.74 172.36 1up4 h PRO 389 N 7.02 0.00 -0.33 2.88 0.11 -1.90 0.26 132.00 140.03 1up4 h PRO 389 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1up4 h PRO 389 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1up4 h PRO 389 CO 0.83 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.90 1up4 n LEU 390 N -3.66 3.95 0.00 2.35 4.77 -1.26 -5.02 117.00 118.14 1up4 n LEU 390 Ca 0.13 -2.80 -0.24 0.00 -0.03 0.00 0.00 56.01 53.07 1up4 n LEU 390 Cb 0.89 -0.50 0.16 0.00 -2.33 0.00 0.00 43.42 41.63 1up4 n LEU 390 CO 0.28 0.69 0.69 0.61 -1.33 0.00 0.00 177.39 178.33 1up4 n GLY 391 N -0.12 -0.72 3.79 -0.72 0.00 0.90 -4.53 105.19 103.79 1up4 n GLY 391 Ca 0.20 -1.82 -0.34 0.00 0.00 0.00 0.00 46.02 44.07 1up4 n GLY 391 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1up4 s PRO 392 N -5.34 3.48 0.73 1.61 0.04 -1.26 -5.00 135.00 129.26 1up4 s PRO 392 Ca 0.65 1.34 -0.13 0.00 0.04 0.00 0.00 61.00 62.90 1up4 s PRO 392 Cb -0.02 -2.05 0.04 0.00 0.04 0.00 0.00 34.50 32.51 1up4 s PRO 392 CO 0.45 -0.69 1.12 -0.51 0.04 0.00 0.00 177.00 177.41 1up4 s ASP 393 N -2.29 4.54 0.33 6.66 1.11 -1.26 -4.69 116.67 121.08 1up4 s ASP 393 Ca 0.67 2.03 0.10 0.00 0.18 0.00 0.00 52.55 55.52 1up4 s ASP 393 Cb -0.18 -2.55 0.88 0.00 1.07 0.00 0.00 42.92 42.14 1up4 s ASP 393 CO 0.29 -2.02 1.77 0.58 1.18 0.00 0.00 175.17 176.97 1up4 h VAL 394 N -0.57 0.62 0.00 -1.27 2.07 -1.98 -0.04 116.25 115.07 1up4 h VAL 394 Ca -0.46 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 66.85 1up4 h VAL 394 Cb 1.25 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1up4 h VAL 394 CO 0.51 0.11 0.00 1.05 0.02 0.00 0.00 177.57 179.26 1up4 h GLU 395 N 0.62 0.00 0.00 1.57 4.11 -2.04 -3.15 114.58 115.68 1up4 h GLU 395 Ca 0.59 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.02 1up4 h GLU 395 Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1up4 h GLU 395 CO -0.38 0.00 -0.77 -0.25 0.07 0.00 0.00 179.01 177.69 1up4 n ASP 396 N -2.87 1.58 0.02 3.06 8.00 -0.09 -4.77 116.55 121.48 1up4 n ASP 396 Ca -0.01 -0.39 -0.10 0.00 0.71 0.00 0.00 54.79 55.00 1up4 n ASP 396 Cb 0.16 1.14 -0.03 0.00 -0.02 0.00 0.00 41.12 42.37 1up4 n ASP 396 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1up4 h ALA 397 N 0.89 -0.12 -0.26 2.24 0.00 -1.35 -1.11 119.26 119.55 1up4 h ALA 397 Ca 0.00 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1up4 h ALA 397 Cb 0.24 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1up4 h ALA 397 CO 0.00 -0.62 0.08 -0.22 0.00 0.00 0.00 179.25 178.48 1up4 h LYS 398 N -0.22 0.41 -0.36 0.00 3.64 -1.86 -0.85 116.57 117.32 1up4 h LYS 398 Ca 0.08 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1up4 h LYS 398 Cb 0.33 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 1up4 h LYS 398 CO -0.22 0.48 0.22 -0.44 -2.27 0.00 0.00 179.45 177.23 1up4 h ASP 399 N 0.25 0.43 -0.07 4.20 3.32 -1.87 -2.09 116.42 120.60 1up4 h ASP 399 Ca 0.08 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 1up4 h ASP 399 Cb 0.25 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.69 1up4 h ASP 399 CO -0.00 0.35 0.04 0.25 -1.72 0.00 0.00 179.24 178.15 1up4 h LEU 400 N 0.47 0.08 -0.70 1.55 5.85 -0.92 -1.81 115.31 119.83 1up4 h LEU 400 Ca 0.13 -0.09 0.05 0.00 0.84 0.00 0.00 57.88 58.81 1up4 h LEU 400 Cb -0.01 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 40.95 1up4 h LEU 400 CO -0.03 0.15 0.41 0.25 -0.34 0.00 0.00 178.44 178.88 1up4 h LEU 401 N 0.01 0.64 -1.24 2.25 5.85 -1.16 -0.64 115.31 121.02 1up4 h LEU 401 Ca 0.02 0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.81 1up4 h LEU 401 Cb 0.08 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 40.95 1up4 h LEU 401 CO -0.00 0.42 0.54 -0.08 -0.34 0.00 0.00 178.44 178.97 1up4 h GLU 402 N 0.77 0.93 -0.29 1.25 4.57 -1.17 -0.44 114.58 120.20 1up4 h GLU 402 Ca 0.30 -0.06 -0.08 0.00 -1.18 0.00 0.00 59.36 58.34 1up4 h GLU 402 Cb 0.13 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.50 1up4 h GLU 402 CO -0.16 0.61 -0.14 1.49 -1.18 0.00 0.00 179.01 179.63 1up4 h GLU 403 N 0.95 0.61 -0.15 1.92 4.81 -0.76 -2.02 114.58 119.95 1up4 h GLU 403 Ca 0.34 -0.27 0.01 0.00 -0.13 0.00 0.00 59.36 59.31 1up4 h GLU 403 Cb 0.13 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 1up4 h GLU 403 CO -0.11 0.84 0.07 0.82 -0.73 0.00 0.00 179.01 179.90 1up4 h ILE 404 N 0.36 0.99 -0.42 2.32 2.04 -0.52 -2.20 117.51 120.08 1up4 h ILE 404 Ca 0.06 -0.05 -0.08 0.00 1.00 0.00 0.00 64.86 65.79 1up4 h ILE 404 Cb 0.66 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 1up4 h ILE 404 CO 0.04 0.03 -0.08 -0.07 0.00 0.00 0.00 178.15 178.07 1up4 h LEU 405 N 0.15 0.72 -0.22 1.44 3.38 -1.12 -0.73 115.31 118.92 1up4 h LEU 405 Ca 0.06 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 1up4 h LEU 405 Cb 0.02 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1up4 h LEU 405 CO -0.05 0.84 0.10 -0.33 0.09 0.00 0.00 178.44 179.09 1up4 h GLU 406 N 0.67 0.33 -0.47 1.13 4.39 -1.31 -1.82 114.58 117.50 1up4 h GLU 406 Ca 0.12 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.74 1up4 h GLU 406 Cb 0.54 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.11 1up4 h GLU 406 CO 0.03 0.37 0.20 0.00 -1.16 0.00 0.00 179.01 178.45 1up4 h ALA 407 N 0.95 1.46 -0.61 3.43 0.00 -1.09 -2.56 119.26 120.85 1up4 h ALA 407 Ca 0.08 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1up4 h ALA 407 Cb 0.16 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1up4 h ALA 407 CO -0.01 0.42 0.00 0.09 0.00 0.00 0.00 179.25 179.75 1up4 n ASN 408 N -4.37 5.40 -0.28 0.00 3.02 -0.31 -4.69 115.26 114.03 1up4 n ASN 408 Ca 0.04 -2.75 0.06 0.00 -0.03 0.00 0.00 54.58 51.90 1up4 n ASN 408 Cb 0.14 -0.65 0.13 0.00 -0.61 0.00 0.00 39.78 38.80 1up4 n ASN 408 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 1up4 n ARG 409 N 0.84 -0.07 0.00 3.52 0.63 -0.70 -0.63 116.66 120.25 1up4 n ARG 409 Ca 0.27 1.23 0.12 0.00 -0.92 0.00 0.00 57.85 58.55 1up4 n ARG 409 Cb 1.09 -1.86 0.62 0.00 0.45 0.00 0.00 32.46 32.77 1up4 n ARG 409 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1up4 n GLU 410 N -5.26 0.31 -0.01 -0.14 1.02 -1.26 -3.86 120.64 111.45 1up4 n GLU 410 Ca 0.14 0.05 -0.01 0.00 -0.02 0.00 0.00 57.16 57.32 1up4 n GLU 410 Cb 0.44 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.35 1up4 n GLU 410 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1up4 n TYR 411 N -1.31 0.00 -3.76 -0.32 4.01 0.20 -5.05 117.16 110.93 1up4 n TYR 411 Ca 0.11 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.72 1up4 n TYR 411 Cb 0.21 -0.07 -0.10 0.00 -0.31 0.00 0.00 39.34 39.07 1up4 n TYR 411 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1up4 s VAL 412 N -2.04 0.02 -0.16 -0.72 0.11 -0.83 -4.87 120.40 111.91 1up4 s VAL 412 Ca -0.01 -0.14 0.00 0.00 -2.93 0.00 0.00 61.98 58.91 1up4 s VAL 412 Cb 0.00 -0.52 0.02 0.00 -1.53 0.00 0.00 36.38 34.36 1up4 s VAL 412 CO 0.06 -0.07 -0.14 -0.75 -3.33 0.00 0.00 175.10 170.86 1up4 s LYS 413 N -0.25 2.32 -0.08 1.54 2.20 -1.26 -4.40 119.74 119.80 1up4 s LYS 413 Ca -0.04 -0.62 0.02 0.00 -0.36 0.00 0.00 55.97 54.97 1up4 s LYS 413 Cb -0.03 -2.18 -0.02 0.00 -1.51 0.00 0.00 37.83 34.08 1up4 s LYS 413 CO 0.02 -0.26 -0.14 -0.51 -0.36 0.00 0.00 175.35 174.10 1up4 s LEU 414 N 1.46 2.74 0.00 5.43 1.02 -1.26 -4.91 118.68 123.16 1up4 s LEU 414 Ca 0.04 -0.24 0.25 0.00 0.02 0.00 0.00 54.13 54.20 1up4 s LEU 414 Cb -0.13 -1.58 0.42 0.00 0.02 0.00 0.00 46.19 44.92 1up4 s LEU 414 CO -0.11 0.28 1.39 0.61 0.02 0.00 0.00 176.35 178.54