#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 3.93 -0.11 5.15 1.01 -0.38 -0.71 121.20 130.10 1up4 s ILE 3 Ca 0.00 -0.32 -0.10 0.00 0.00 0.00 0.00 60.65 60.23 1up4 s ILE 3 Cb 0.00 -2.77 -0.05 0.00 0.01 0.00 0.00 42.46 39.65 1up4 s ILE 3 CO 0.00 0.43 0.21 0.00 0.00 0.00 0.00 174.94 175.58 1up4 s ALA 4 N 0.96 3.79 -0.25 9.38 0.00 0.29 -0.89 121.76 135.04 1up4 s ALA 4 Ca 0.01 -0.54 0.02 0.00 0.00 0.00 0.00 51.96 51.45 1up4 s ALA 4 Cb -0.14 -2.12 0.05 0.00 0.00 0.00 0.00 23.12 20.91 1up4 s ALA 4 CO 0.02 0.49 -0.11 0.08 0.00 0.00 0.00 175.76 176.23 1up4 s VAL 5 N -0.73 2.27 -0.33 0.00 1.01 0.26 -0.38 120.40 122.51 1up4 s VAL 5 Ca 0.16 -1.45 -0.17 0.00 0.00 0.00 0.00 61.98 60.53 1up4 s VAL 5 Cb -0.13 -2.26 -0.01 0.00 0.00 0.00 0.00 36.38 33.98 1up4 s VAL 5 CO 0.05 0.08 0.44 -0.63 0.00 0.00 0.00 175.10 175.04 1up4 s ILE 6 N 1.16 5.10 0.00 2.22 -1.09 0.27 -1.48 121.20 127.39 1up4 s ILE 6 Ca -0.05 0.33 0.00 0.00 -2.23 0.00 0.00 60.65 58.69 1up4 s ILE 6 Cb -0.18 -3.86 0.00 0.00 -1.58 0.00 0.00 42.46 36.83 1up4 s ILE 6 CO -0.06 -0.09 0.00 0.61 -1.23 0.00 0.00 174.94 174.17 1up4 n GLY 7 N 4.80 0.72 0.36 6.18 0.00 0.24 -1.18 105.19 116.30 1up4 n GLY 7 Ca -0.07 -0.02 0.16 0.00 0.00 0.00 0.00 46.02 46.09 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 0.29 0.10 -0.02 0.00 -1.23 -1.69 103.07 100.53 1up4 h GLY 8 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.25 1up4 h GLY 8 CO 0.00 0.04 0.00 0.61 0.00 0.00 0.00 176.54 177.19 1up4 n GLY 9 N -1.58 -0.84 3.77 4.60 0.00 -1.26 -4.72 105.19 105.15 1up4 n GLY 9 Ca 0.09 -0.02 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.25 6.58 0.00 1.61 0.15 -0.64 -4.78 113.70 115.39 1up4 s SER 10 Ca 0.04 2.50 0.19 0.00 0.70 0.00 0.00 55.95 59.38 1up4 s SER 10 Cb 0.02 -2.63 1.04 0.00 -1.71 0.00 0.00 66.02 62.74 1up4 s SER 10 CO 0.03 -0.65 1.54 -1.54 1.20 0.00 0.00 173.24 173.83 1up4 n SER 11 N 0.35 0.00 0.07 5.45 3.41 -1.26 -1.51 113.62 120.13 1up4 n SER 11 Ca 0.03 -0.31 0.12 0.00 -0.26 0.00 0.00 58.87 58.44 1up4 n SER 11 Cb 0.44 -0.13 0.10 0.00 -0.26 0.00 0.00 64.21 64.37 1up4 n SER 11 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 1up4 h TYR 12 N 0.00 0.00 -0.86 7.33 0.05 -1.94 -3.41 116.97 118.14 1up4 h TYR 12 Ca 0.00 0.00 0.22 0.00 0.05 0.00 0.00 58.73 59.00 1up4 h TYR 12 Cb 0.08 0.00 -0.15 0.00 1.01 0.00 0.00 36.73 37.67 1up4 h TYR 12 CO 0.00 0.00 0.11 1.15 -1.05 0.00 0.00 178.16 178.37 1up4 h THR 13 N 0.00 0.26 -0.34 -2.88 2.02 -1.56 -1.38 112.91 109.03 1up4 h THR 13 Ca 0.00 -0.04 0.07 0.00 0.77 0.00 0.00 66.41 67.21 1up4 h THR 13 Cb 0.81 0.12 -0.07 0.00 -1.74 0.00 0.00 68.15 67.27 1up4 h THR 13 CO 0.00 0.02 -0.11 -0.65 0.37 0.00 0.00 175.52 175.15 1up4 h PRO 14 N 0.13 -0.04 -0.49 6.66 0.11 -1.82 -0.60 132.00 135.96 1up4 h PRO 14 Ca 0.51 0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.67 1up4 h PRO 14 Cb 1.01 0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.08 1up4 h PRO 14 CO -0.71 -0.02 0.25 0.93 -0.21 0.00 0.00 178.00 178.23 1up4 h GLU 15 N -0.04 0.47 -0.59 1.05 5.08 -1.59 0.55 114.58 119.52 1up4 h GLU 15 Ca 0.17 -0.03 0.10 0.00 -1.00 0.00 0.00 59.36 58.60 1up4 h GLU 15 Cb 0.29 -0.11 -0.08 0.00 0.50 0.00 0.00 28.75 29.36 1up4 h GLU 15 CO -0.37 0.31 0.17 1.25 -1.00 0.00 0.00 179.01 179.37 1up4 h LEU 16 N 0.49 0.10 -0.53 1.33 5.85 -0.90 0.41 115.31 122.06 1up4 h LEU 16 Ca 0.22 0.09 -0.07 0.00 0.84 0.00 0.00 57.88 58.96 1up4 h LEU 16 Cb 0.12 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 1up4 h LEU 16 CO -0.15 0.06 0.05 0.58 -0.34 0.00 0.00 178.44 178.64 1up4 h VAL 17 N 0.32 1.26 -0.55 1.05 2.07 -0.32 -0.22 116.25 119.85 1up4 h VAL 17 Ca 0.30 -1.02 0.08 0.00 0.82 0.00 0.00 66.70 66.89 1up4 h VAL 17 Cb 0.42 0.88 -0.06 0.00 -1.52 0.00 0.00 31.29 31.01 1up4 h VAL 17 CO -0.35 0.36 0.20 0.50 0.02 0.00 0.00 177.57 178.30 1up4 h LYS 18 N 0.78 0.37 -0.16 1.57 3.64 -0.03 0.23 116.57 122.98 1up4 h LYS 18 Ca 0.16 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.55 1up4 h LYS 18 Cb 0.46 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.16 1up4 h LYS 18 CO 0.02 0.25 -0.06 0.78 -2.27 0.00 0.00 179.45 178.17 1up4 h GLY 19 N 0.38 0.09 1.79 5.01 0.00 0.24 -0.81 103.07 109.77 1up4 h GLY 19 Ca 0.27 0.07 -0.04 0.00 0.00 0.00 0.00 47.33 47.63 1up4 h GLY 19 CO -0.27 -0.08 -0.08 1.41 0.00 0.00 0.00 176.54 177.52 1up4 h LEU 20 N -0.03 0.24 -0.44 3.11 3.38 -0.20 -1.83 115.31 119.55 1up4 h LEU 20 Ca 0.08 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 1up4 h LEU 20 Cb 0.15 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1up4 h LEU 20 CO -0.18 0.36 0.08 -0.07 0.09 0.00 0.00 178.44 178.72 1up4 h LEU 21 N 0.25 0.69 -1.02 1.67 3.38 0.02 -1.93 115.31 118.37 1up4 h LEU 21 Ca 0.05 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 57.78 1up4 h LEU 21 Cb 0.30 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.82 1up4 h LEU 21 CO 0.01 0.77 0.66 0.44 0.09 0.00 0.00 178.44 180.42 1up4 h ASP 22 N 0.58 1.14 1.21 -0.43 3.32 -0.34 -2.41 116.42 119.50 1up4 h ASP 22 Ca 0.13 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.15 1up4 h ASP 22 Cb 0.37 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.64 1up4 h ASP 22 CO 0.01 0.83 -0.13 2.30 -1.72 0.00 0.00 179.24 180.52 1up4 n ILE 23 N -4.38 0.38 0.92 0.35 -5.35 -0.94 -3.88 119.36 106.45 1up4 n ILE 23 Ca 0.12 -0.20 0.08 0.00 -0.27 0.00 0.00 62.75 62.47 1up4 n ILE 23 Cb 0.01 -0.44 0.44 0.00 -1.74 0.00 0.00 39.64 37.91 1up4 n ILE 23 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1up4 n SER 24 N -2.01 0.00 -0.01 7.28 3.41 -0.73 -1.39 113.62 120.17 1up4 n SER 24 Ca 0.06 -0.42 -0.02 0.00 -0.26 0.00 0.00 58.87 58.23 1up4 n SER 24 Cb 0.41 -0.03 -0.12 0.00 -0.26 0.00 0.00 64.21 64.21 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 -1.03 0.64 0.03 4.33 1.02 -1.25 -4.31 120.64 120.08 1up4 n GLU 25 Ca 0.11 0.12 0.10 0.00 -0.02 0.00 0.00 57.16 57.46 1up4 n GLU 25 Cb 0.06 -1.70 -0.10 0.00 -0.02 0.00 0.00 31.44 29.68 1up4 n GLU 25 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1up4 n ASP 26 N -2.78 0.35 -3.86 1.62 8.00 -0.48 -4.97 116.55 114.42 1up4 n ASP 26 Ca -0.15 0.14 -0.12 0.00 0.71 0.00 0.00 54.79 55.37 1up4 n ASP 26 Cb 0.90 1.31 -0.13 0.00 -0.02 0.00 0.00 41.12 43.18 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 -3.40 0.02 -0.09 2.53 1.01 -0.69 -5.01 120.40 114.77 1up4 s VAL 27 Ca -0.05 -0.16 -0.29 0.00 0.00 0.00 0.00 61.98 61.48 1up4 s VAL 27 Cb 0.12 -0.16 -0.02 0.00 0.00 0.00 0.00 36.38 36.32 1up4 s VAL 27 CO 0.86 -0.09 0.95 -0.60 0.00 0.00 0.00 175.10 176.22 1up4 s ARG 28 N -0.25 4.43 -0.13 2.72 3.52 -1.26 -4.24 118.95 123.74 1up4 s ARG 28 Ca -0.03 1.30 -0.00 0.00 -0.13 0.00 0.00 55.73 56.87 1up4 s ARG 28 Cb -0.02 -3.53 0.03 0.00 -1.56 0.00 0.00 34.95 29.87 1up4 s ARG 28 CO 0.00 -0.24 -0.07 0.42 -0.81 0.00 0.00 175.30 174.60 1up4 s ILE 29 N 1.77 1.05 -0.12 4.11 1.01 -1.26 -4.95 121.20 122.81 1up4 s ILE 29 Ca 0.47 -0.39 -0.06 0.00 0.00 0.00 0.00 60.65 60.67 1up4 s ILE 29 Cb -0.18 -1.12 -0.26 0.00 0.01 0.00 0.00 42.46 40.91 1up4 s ILE 29 CO 0.19 0.29 0.36 0.47 0.00 0.00 0.00 174.94 176.25 1up4 n ASP 30 N 4.92 2.08 -3.65 3.58 8.00 -1.26 -4.70 116.55 125.52 1up4 n ASP 30 Ca -0.12 0.21 -0.14 0.00 0.71 0.00 0.00 54.79 55.44 1up4 n ASP 30 Cb 0.49 -0.82 -0.08 0.00 -0.02 0.00 0.00 41.12 40.69 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 -2.56 0.76 -0.17 -1.24 -1.05 -1.26 -1.56 118.70 111.61 1up4 s GLU 31 Ca -0.22 0.67 -0.00 0.00 -0.15 0.00 0.00 54.97 55.27 1up4 s GLU 31 Cb 0.07 0.37 0.00 0.00 -0.44 0.00 0.00 34.13 34.13 1up4 s GLU 31 CO 0.77 -0.13 -0.15 0.08 0.95 0.00 0.00 175.26 176.77 1up4 s VAL 32 N -0.05 2.56 -0.11 1.83 1.01 0.13 -1.25 120.40 124.53 1up4 s VAL 32 Ca -0.03 -0.79 -0.00 0.00 0.00 0.00 0.00 61.98 61.16 1up4 s VAL 32 Cb -0.04 -2.09 -0.02 0.00 0.00 0.00 0.00 36.38 34.23 1up4 s VAL 32 CO 0.03 0.51 -0.10 -0.51 0.00 0.00 0.00 175.10 175.02 1up4 s ILE 33 N 1.09 3.34 0.04 2.22 2.07 -0.07 -1.10 121.20 128.78 1up4 s ILE 33 Ca -0.00 -0.58 0.04 0.00 -1.41 0.00 0.00 60.65 58.70 1up4 s ILE 33 Cb -0.14 -2.39 -0.04 0.00 0.13 0.00 0.00 42.46 40.02 1up4 s ILE 33 CO -0.05 0.54 -0.03 -0.36 -1.91 0.00 0.00 174.94 173.13 1up4 s PHE 34 N -0.02 2.95 -0.00 3.50 0.08 0.11 -0.58 117.98 124.02 1up4 s PHE 34 Ca -0.02 -0.02 0.00 0.00 0.12 0.00 0.00 56.93 57.01 1up4 s PHE 34 Cb -0.14 -1.58 0.00 0.00 -0.57 0.00 0.00 43.02 40.73 1up4 s PHE 34 CO 0.04 0.43 -0.00 -0.47 -0.10 0.00 0.00 175.22 175.12 1up4 s TYR 35 N -1.14 0.05 -0.09 0.36 5.04 -0.55 -0.96 117.35 120.06 1up4 s TYR 35 Ca 0.21 0.00 -0.18 0.00 -2.44 0.00 0.00 57.07 54.66 1up4 s TYR 35 Cb -0.11 -0.05 0.04 0.00 0.35 0.00 0.00 41.96 42.19 1up4 s TYR 35 CO 0.12 -0.01 0.45 0.34 -1.34 0.00 0.00 175.55 175.11 1up4 s ASP 36 N 0.07 -0.41 0.14 4.32 -1.08 -1.26 0.81 116.67 119.26 1up4 s ASP 36 Ca -0.01 0.58 0.21 0.00 -0.52 0.00 0.00 52.55 52.81 1up4 s ASP 36 Cb -0.01 0.64 0.85 0.00 -1.46 0.00 0.00 42.92 42.93 1up4 s ASP 36 CO -0.00 -0.35 1.64 2.30 0.52 0.00 0.00 175.17 179.28 1up4 n ILE 37 N 1.91 0.81 -3.65 4.11 -5.35 -1.26 -4.13 119.36 111.79 1up4 n ILE 37 Ca -0.17 0.18 -0.36 0.00 -0.27 0.00 0.00 62.75 62.12 1up4 n ILE 37 Cb 0.57 -1.00 -0.07 0.00 -1.74 0.00 0.00 39.64 37.39 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 -3.70 5.79 0.44 7.28 -1.08 -1.26 -4.95 116.67 119.19 1up4 s ASP 38 Ca 0.07 -3.44 0.10 0.00 -0.52 0.00 0.00 52.55 48.75 1up4 s ASP 38 Cb 0.10 -1.90 0.98 0.00 -1.46 0.00 0.00 42.92 40.64 1up4 s ASP 38 CO 0.37 -0.25 2.08 1.05 0.52 0.00 0.00 175.17 178.94 1up4 h GLU 39 N 6.35 0.39 -0.17 4.34 4.11 -2.00 -2.37 114.58 125.23 1up4 h GLU 39 Ca 0.11 -0.02 -0.19 0.00 0.07 0.00 0.00 59.36 59.33 1up4 h GLU 39 Cb 0.86 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 30.03 1up4 h GLU 39 CO 0.81 0.26 -0.62 0.93 0.07 0.00 0.00 179.01 180.45 1up4 h GLU 40 N 0.40 0.72 -0.12 1.06 3.07 -1.95 -1.08 114.58 116.68 1up4 h GLU 40 Ca 0.12 -0.55 0.02 0.00 -0.50 0.00 0.00 59.36 58.45 1up4 h GLU 40 Cb -0.01 0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 27.97 1up4 h GLU 40 CO -0.03 1.16 -0.03 -0.22 -1.40 0.00 0.00 179.01 178.50 1up4 h LYS 41 N 0.42 0.00 -0.74 2.33 3.64 -1.89 -3.08 116.57 117.25 1up4 h LYS 41 Ca -0.03 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 1up4 h LYS 41 Cb 1.25 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.03 1up4 h LYS 41 CO 0.13 0.00 0.31 0.37 -2.27 0.00 0.00 179.45 178.00 1up4 h GLN 42 N 0.01 1.08 -0.82 1.90 4.15 -1.33 -2.71 115.11 117.38 1up4 h GLN 42 Ca 0.06 -0.18 0.13 0.00 0.77 0.00 0.00 58.65 59.43 1up4 h GLN 42 Cb 0.08 -0.19 -0.09 0.00 0.21 0.00 0.00 27.48 27.50 1up4 h GLN 42 CO -0.12 0.87 0.42 -0.22 -1.93 0.00 0.00 178.83 177.85 1up4 h LYS 43 N 1.07 0.62 -0.20 1.69 1.63 -1.10 0.18 116.57 120.45 1up4 h LYS 43 Ca 0.25 -0.04 -0.06 0.00 -0.85 0.00 0.00 60.65 59.96 1up4 h LYS 43 Cb 0.17 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 31.66 1up4 h LYS 43 CO -0.02 0.41 -0.09 0.82 -3.45 0.00 0.00 179.45 177.12 1up4 h ILE 44 N 0.64 1.30 -0.07 2.00 5.03 -1.48 -1.20 117.51 123.73 1up4 h ILE 44 Ca 0.44 -1.14 -0.01 0.00 -0.12 0.00 0.00 64.86 64.03 1up4 h ILE 44 Cb 0.57 1.62 -0.00 0.00 -3.03 0.00 0.00 36.82 35.97 1up4 h ILE 44 CO -0.33 0.34 0.02 0.58 -0.68 0.00 0.00 178.15 178.08 1up4 h VAL 45 N 0.12 1.17 -0.08 1.67 2.07 -1.32 -2.70 116.25 117.18 1up4 h VAL 45 Ca 0.05 -0.50 -0.09 0.00 0.82 0.00 0.00 66.70 66.98 1up4 h VAL 45 Cb 0.57 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 1up4 h VAL 45 CO 0.03 0.14 -0.36 0.58 0.02 0.00 0.00 177.57 177.98 1up4 h VAL 46 N -0.08 1.28 -0.88 2.57 2.07 -0.67 -0.03 116.25 120.51 1up4 h VAL 46 Ca 0.02 -1.35 0.03 0.00 0.82 0.00 0.00 66.70 66.22 1up4 h VAL 46 Cb 0.20 1.63 -0.05 0.00 -1.52 0.00 0.00 31.29 31.55 1up4 h VAL 46 CO -0.00 0.40 0.57 0.44 0.02 0.00 0.00 177.57 179.00 1up4 h ASP 47 N 0.13 0.96 -0.23 0.57 5.19 -1.17 -1.52 116.42 120.36 1up4 h ASP 47 Ca 0.02 -0.01 -0.06 0.00 -0.62 0.00 0.00 57.03 56.35 1up4 h ASP 47 Cb 0.71 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.98 1up4 h ASP 47 CO 0.05 0.67 -0.08 0.15 -3.12 0.00 0.00 179.24 176.91 1up4 h PHE 48 N 1.13 0.52 -0.63 4.55 3.57 -0.96 -3.11 116.94 122.02 1up4 h PHE 48 Ca 0.34 -0.12 0.12 0.00 3.53 0.00 0.00 57.97 61.84 1up4 h PHE 48 Cb -0.04 -0.12 -0.09 0.00 2.79 0.00 0.00 35.95 38.49 1up4 h PHE 48 CO -0.02 0.71 0.17 0.28 -2.23 0.00 0.00 178.31 177.23 1up4 h VAL 49 N 0.18 0.65 -0.30 1.41 2.07 -0.85 -1.84 116.25 117.57 1up4 h VAL 49 Ca 0.05 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 1up4 h VAL 49 Cb 0.56 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 1up4 h VAL 49 CO 0.03 0.06 0.19 0.11 0.02 0.00 0.00 177.57 177.97 1up4 h LYS 50 N 0.31 0.40 -0.08 1.57 1.57 -1.21 0.13 116.57 119.26 1up4 h LYS 50 Ca 0.33 -0.03 -0.13 0.00 -1.87 0.00 0.00 60.65 58.96 1up4 h LYS 50 Cb 0.49 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 1up4 h LYS 50 CO -0.39 0.28 -0.52 0.00 -0.57 0.00 0.00 179.45 178.24 1up4 h ARG 51 N 0.41 0.23 0.16 3.15 3.08 -1.29 -2.73 114.38 117.40 1up4 h ARG 51 Ca 0.11 -0.13 -0.28 0.00 0.07 0.00 0.00 59.98 59.75 1up4 h ARG 51 Cb -0.02 0.01 0.03 0.00 0.08 0.00 0.00 29.97 30.07 1up4 h ARG 51 CO -0.02 0.70 -1.19 -0.07 -1.07 0.00 0.00 179.97 178.32 1up4 h LEU 52 N 0.18 0.76 -0.51 3.04 3.38 -0.76 -3.36 115.31 118.04 1up4 h LEU 52 Ca 0.00 -0.88 -0.08 0.00 0.09 0.00 0.00 57.88 57.01 1up4 h LEU 52 Cb 0.98 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 1up4 h LEU 52 CO 0.08 1.57 -0.01 0.58 0.09 0.00 0.00 178.44 180.75 1up4 h VAL 53 N 0.06 1.26 -6.17 1.22 2.07 -0.82 -3.48 116.25 110.40 1up4 h VAL 53 Ca -0.20 -1.11 -0.43 0.00 0.82 0.00 0.00 66.70 65.79 1up4 h VAL 53 Cb 1.90 0.97 0.04 0.00 -1.52 0.00 0.00 31.29 32.68 1up4 h VAL 53 CO 0.23 0.39 -0.85 0.29 0.02 0.00 0.00 177.57 177.64 1up4 n LYS 54 N -4.30 -4.28 -1.44 1.57 5.02 -1.03 -2.53 118.16 111.17 1up4 n LYS 54 Ca 0.01 0.57 -0.15 0.00 -2.02 0.00 0.00 58.31 56.72 1up4 n LYS 54 Cb 0.33 -4.99 -0.06 0.00 -0.02 0.00 0.00 35.03 30.28 1up4 n LYS 54 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1up4 n ASP 55 N -3.02 -5.12 0.10 4.39 -0.08 -1.26 -4.86 116.55 106.69 1up4 n ASP 55 Ca -0.29 0.37 -0.05 0.00 -1.51 0.00 0.00 54.79 53.32 1up4 n ASP 55 Cb 0.67 -3.95 0.11 0.00 2.34 0.00 0.00 41.12 40.29 1up4 n ASP 55 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 1up4 h ARG 56 N 0.02 0.16 -4.35 -0.67 3.08 -1.89 -3.44 114.38 107.30 1up4 h ARG 56 Ca -0.31 -0.13 -0.19 0.00 0.07 0.00 0.00 59.98 59.43 1up4 h ARG 56 Cb 1.08 0.02 -0.14 0.00 0.08 0.00 0.00 29.97 31.02 1up4 h ARG 56 CO 0.45 0.77 -0.51 -0.59 -1.07 0.00 0.00 179.97 179.02 1up4 s PHE 57 N -3.60 0.91 0.04 3.04 -0.12 -1.26 -4.98 117.98 112.01 1up4 s PHE 57 Ca -0.03 -1.19 -0.30 0.00 -0.05 0.00 0.00 56.93 55.36 1up4 s PHE 57 Cb 0.12 -0.38 -0.04 0.00 -0.63 0.00 0.00 43.02 42.09 1up4 s PHE 57 CO 0.79 -0.69 1.02 0.15 -0.05 0.00 0.00 175.22 176.45 1up4 s LYS 58 N -4.10 4.56 -0.26 1.99 1.02 -0.60 -4.93 119.74 117.42 1up4 s LYS 58 Ca 0.32 1.50 -0.08 0.00 0.02 0.00 0.00 55.97 57.73 1up4 s LYS 58 Cb 0.05 -3.42 -0.03 0.00 -0.52 0.00 0.00 37.83 33.91 1up4 s LYS 58 CO 0.09 -0.04 0.11 0.08 -0.92 0.00 0.00 175.35 174.67 1up4 s VAL 59 N 0.79 4.62 0.12 3.17 1.01 -1.26 -0.69 120.40 128.15 1up4 s VAL 59 Ca 0.52 -0.08 0.08 0.00 0.00 0.00 0.00 61.98 62.50 1up4 s VAL 59 Cb -0.23 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.93 1up4 s VAL 59 CO 0.29 0.31 -0.19 -0.76 0.00 0.00 0.00 175.10 174.75 1up4 s LEU 60 N 1.66 2.34 -0.08 3.92 1.43 -0.26 -5.00 118.68 122.69 1up4 s LEU 60 Ca 0.07 -0.73 0.03 0.00 -1.03 0.00 0.00 54.13 52.46 1up4 s LEU 60 Cb -0.15 -0.79 -0.02 0.00 0.03 0.00 0.00 46.19 45.26 1up4 s LEU 60 CO 0.06 -0.00 -0.18 -0.63 0.23 0.00 0.00 176.35 175.82 1up4 s ILE 61 N -1.50 2.65 -0.09 -0.59 1.01 -1.26 0.06 121.20 121.48 1up4 s ILE 61 Ca 0.08 -0.84 -0.01 0.00 0.00 0.00 0.00 60.65 59.87 1up4 s ILE 61 Cb -0.08 -2.04 -0.03 0.00 0.01 0.00 0.00 42.46 40.31 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 -0.13 5.04 0.30 3.58 0.15 -0.13 -4.89 113.70 117.62 1up4 s SER 62 Ca -0.03 0.07 0.12 0.00 0.70 0.00 0.00 55.95 56.81 1up4 s SER 62 Cb -0.14 -1.43 0.44 0.00 -1.71 0.00 0.00 66.02 63.18 1up4 s SER 62 CO 0.04 0.35 1.65 0.44 1.20 0.00 0.00 173.24 176.92 1up4 h ASP 63 N 5.37 0.00 -2.65 5.45 3.32 -1.96 -3.43 116.42 122.52 1up4 h ASP 63 Ca -0.48 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.00 1up4 h ASP 63 Cb 1.19 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.59 1up4 h ASP 63 CO 0.55 0.56 -0.76 0.42 -1.72 0.00 0.00 179.24 178.29 1up4 s THR 64 N -3.68 2.25 0.13 0.35 -4.23 -1.26 -4.99 115.64 104.21 1up4 s THR 64 Ca -0.01 -2.28 -0.18 0.00 -1.18 0.00 0.00 61.69 58.04 1up4 s THR 64 Cb 0.13 -2.19 -0.03 0.00 1.34 0.00 0.00 72.50 71.75 1up4 s THR 64 CO 0.75 -0.40 1.76 0.15 -0.54 0.00 0.00 174.62 176.33 1up4 h PHE 65 N 2.52 0.41 -0.62 3.99 3.57 -1.99 -2.97 116.94 121.85 1up4 h PHE 65 Ca -0.40 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.11 1up4 h PHE 65 Cb 1.24 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 39.81 1up4 h PHE 65 CO 0.77 0.31 0.40 1.49 -2.23 0.00 0.00 178.31 179.04 1up4 h GLU 66 N 0.40 0.78 -0.62 1.11 4.81 -1.98 -0.98 114.58 118.10 1up4 h GLU 66 Ca 0.11 -0.05 0.10 0.00 -0.13 0.00 0.00 59.36 59.40 1up4 h GLU 66 Cb 0.02 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.18 1up4 h GLU 66 CO -0.02 0.52 0.42 0.78 -0.73 0.00 0.00 179.01 179.97 1up4 h GLY 67 N 0.80 0.60 0.62 1.92 0.00 -1.96 -0.54 103.07 104.52 1up4 h GLY 67 Ca 0.23 -0.17 -0.11 0.00 0.00 0.00 0.00 47.33 47.28 1up4 h GLY 67 CO -0.07 0.10 -0.43 0.00 0.00 0.00 0.00 176.54 176.14 1up4 h ALA 68 N 1.69 0.06 0.00 3.60 0.00 -1.05 -3.36 119.26 120.19 1up4 h ALA 68 Ca 0.29 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1up4 h ALA 68 Cb 0.57 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1up4 h ALA 68 CO -0.08 0.22 -0.56 1.33 0.00 0.00 0.00 179.25 180.16 1up4 n VAL 69 N -4.36 0.32 -0.35 0.00 0.24 -0.84 -4.44 118.33 108.91 1up4 n VAL 69 Ca -0.10 -0.24 0.06 0.00 -2.04 0.00 0.00 64.34 62.02 1up4 n VAL 69 Cb 0.59 -0.12 0.21 0.00 -1.47 0.00 0.00 33.84 33.06 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 0.93 -0.14 3.34 3.04 -1.26 -2.21 116.25 119.95 1up4 h VAL 70 Ca 0.00 -0.33 -0.05 0.00 -1.01 0.00 0.00 66.70 65.31 1up4 h VAL 70 Cb 0.71 -0.12 -0.03 0.00 -2.01 0.00 0.00 31.29 29.85 1up4 h VAL 70 CO 0.00 0.18 -0.17 0.47 -1.01 0.00 0.00 177.57 177.04 1up4 n ASP 71 N -4.64 2.44 -4.85 3.17 8.00 -1.26 -3.91 116.55 115.50 1up4 n ASP 71 Ca 0.17 -3.51 -0.35 0.00 0.71 0.00 0.00 54.79 51.81 1up4 n ASP 71 Cb 0.32 -0.53 -0.06 0.00 -0.02 0.00 0.00 41.12 40.83 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 -3.08 3.65 -0.06 2.24 0.00 -0.83 -4.42 121.76 119.26 1up4 s ALA 72 Ca 0.39 -0.24 -0.03 0.00 0.00 0.00 0.00 51.96 52.08 1up4 s ALA 72 Cb 0.35 -2.41 -0.27 0.00 0.00 0.00 0.00 23.12 20.80 1up4 s ALA 72 CO 0.00 0.50 0.61 -0.22 0.00 0.00 0.00 175.76 176.65 1up4 h LYS 73 N 3.75 0.23 -5.11 0.00 1.63 -1.25 -3.39 116.57 112.43 1up4 h LYS 73 Ca -0.49 -0.39 -0.46 0.00 -0.85 0.00 0.00 60.65 58.45 1up4 h LYS 73 Cb 1.20 0.15 -0.29 0.00 -0.60 0.00 0.00 32.23 32.68 1up4 h LYS 73 CO 0.66 1.06 -0.80 0.71 -3.45 0.00 0.00 179.45 177.62 1up4 s TYR 74 N -2.59 1.16 -0.14 1.91 2.02 -1.23 -1.78 117.35 116.71 1up4 s TYR 74 Ca -0.14 -0.23 0.01 0.00 -0.37 0.00 0.00 57.07 56.34 1up4 s TYR 74 Cb 0.07 -0.75 0.02 0.00 -0.40 0.00 0.00 41.96 40.89 1up4 s TYR 74 CO 0.82 -0.03 -0.15 0.08 -1.57 0.00 0.00 175.55 174.69 1up4 s VAL 75 N -0.24 1.60 -0.29 0.71 1.01 -0.05 -0.55 120.40 122.59 1up4 s VAL 75 Ca 0.04 -0.67 -0.10 0.00 0.00 0.00 0.00 61.98 61.25 1up4 s VAL 75 Cb -0.06 -1.48 -0.03 0.00 0.00 0.00 0.00 36.38 34.82 1up4 s VAL 75 CO -0.00 0.46 0.17 -0.63 0.00 0.00 0.00 175.10 175.10 1up4 s ILE 76 N 1.27 4.92 -0.37 2.22 1.01 0.49 -0.22 121.20 130.52 1up4 s ILE 76 Ca 0.00 -0.13 -0.24 0.00 0.00 0.00 0.00 60.65 60.28 1up4 s ILE 76 Cb -0.14 -3.41 0.01 0.00 0.01 0.00 0.00 42.46 38.93 1up4 s ILE 76 CO -0.07 0.17 0.85 -0.36 0.00 0.00 0.00 174.94 175.53 1up4 s PHE 77 N 1.69 3.09 0.00 3.97 0.40 0.13 -0.56 117.98 126.69 1up4 s PHE 77 Ca 0.06 0.64 0.19 0.00 -0.60 0.00 0.00 56.93 57.22 1up4 s PHE 77 Cb -0.16 -3.53 0.32 0.00 0.51 0.00 0.00 43.02 40.16 1up4 s PHE 77 CO 0.08 -0.79 1.12 0.00 0.70 0.00 0.00 175.22 176.33 1up4 n GLN 78 N 6.60 0.00 -3.06 0.44 10.64 -0.32 -0.23 117.38 131.44 1up4 n GLN 78 Ca 0.05 -1.73 -0.21 0.00 -1.83 0.00 0.00 57.00 53.27 1up4 n GLN 78 Cb 0.48 -0.08 0.01 0.00 -0.86 0.00 0.00 30.24 29.79 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 0.00 3.12 -0.35 2.61 -0.71 -1.17 -4.75 117.98 116.73 1up4 s PHE 79 Ca 0.25 0.05 0.01 0.00 -1.04 0.00 0.00 56.93 56.20 1up4 s PHE 79 Cb 0.29 -2.30 0.11 0.00 -1.21 0.00 0.00 43.02 39.92 1up4 s PHE 79 CO -0.13 -0.34 0.13 0.50 -1.34 0.00 0.00 175.22 174.04 1up4 s ARG 80 N -4.47 1.01 0.08 1.99 3.52 -1.26 -4.52 118.95 115.30 1up4 s ARG 80 Ca 0.49 -1.49 -0.31 0.00 -0.13 0.00 0.00 55.73 54.30 1up4 s ARG 80 Cb -0.10 -2.30 -0.09 0.00 -1.56 0.00 0.00 34.95 30.90 1up4 s ARG 80 CO 0.36 -1.03 1.81 -2.14 -0.81 0.00 0.00 175.30 173.49 1up4 s PRO 81 N 1.12 4.15 0.00 5.12 0.02 -1.26 -0.91 135.00 143.24 1up4 s PRO 81 Ca 0.12 2.52 0.00 0.00 0.02 0.00 0.00 61.00 63.66 1up4 s PRO 81 Cb -0.20 -3.75 0.00 0.00 0.02 0.00 0.00 34.50 30.58 1up4 s PRO 81 CO -0.15 -0.85 0.00 0.41 -0.33 0.00 0.00 177.00 176.09 1up4 n GLY 82 N 4.25 1.65 7.00 0.52 0.00 -1.26 -4.84 105.19 112.50 1up4 n GLY 82 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 0.31 0.11 -0.02 0.00 -0.09 -1.49 105.19 102.01 1up4 n GLY 83 Ca 0.00 -0.95 -0.03 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.18 0.99 3.38 -1.92 -2.49 115.31 114.09 1up4 h LEU 84 Ca 0.00 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.04 1up4 h LEU 84 Cb 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.69 1up4 h LEU 84 CO 0.00 0.74 0.57 0.50 0.09 0.00 0.00 178.44 180.35 1up4 h LYS 85 N 0.00 0.95 -0.27 1.13 3.64 -1.96 0.14 116.57 120.20 1up4 h LYS 85 Ca -0.01 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.27 1up4 h LYS 85 Cb 1.32 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.92 1up4 h LYS 85 CO 0.10 0.63 0.00 0.78 -2.27 0.00 0.00 179.45 178.68 1up4 h GLY 86 N 0.97 0.52 0.76 5.01 0.00 -0.93 -2.19 103.07 107.22 1up4 h GLY 86 Ca 0.38 -0.38 0.06 0.00 0.00 0.00 0.00 47.33 47.39 1up4 h GLY 86 CO -0.14 0.35 0.59 -0.09 0.00 0.00 0.00 176.54 177.25 1up4 h ARG 87 N 0.26 1.06 -0.56 4.80 2.43 -1.01 -1.73 114.38 119.63 1up4 h ARG 87 Ca 0.08 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1up4 h ARG 87 Cb 0.42 -0.24 -0.03 0.00 -0.42 0.00 0.00 29.97 29.70 1up4 h ARG 87 CO 0.01 0.70 0.36 1.49 -1.51 0.00 0.00 179.97 181.02 1up4 h GLU 88 N 1.09 0.74 -0.52 0.20 4.81 -0.56 -0.68 114.58 119.67 1up4 h GLU 88 Ca 0.39 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.57 1up4 h GLU 88 Cb 0.13 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 1up4 h GLU 88 CO -0.16 0.51 0.32 -0.91 -0.73 0.00 0.00 179.01 178.03 1up4 h ASN 89 N 0.75 0.62 -0.56 1.04 2.35 -1.13 0.88 115.58 119.52 1up4 h ASN 89 Ca 0.20 -0.05 0.09 0.00 -0.55 0.00 0.00 56.30 55.99 1up4 h ASN 89 Cb -0.06 -0.16 -0.07 0.00 0.05 0.00 0.00 38.32 38.09 1up4 h ASN 89 CO -0.04 0.49 0.19 0.44 -1.65 0.00 0.00 177.43 176.85 1up4 h ASP 90 N 0.69 0.16 0.69 5.81 3.32 -0.83 0.87 116.42 127.13 1up4 h ASP 90 Ca 0.19 0.08 -0.26 0.00 0.02 0.00 0.00 57.03 57.05 1up4 h ASP 90 Cb -0.02 0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.60 1up4 h ASP 90 CO -0.04 0.11 -1.22 -0.33 -1.72 0.00 0.00 179.24 176.04 1up4 h GLU 91 N 0.36 0.21 0.19 3.56 5.08 -0.96 -3.36 114.58 119.66 1up4 h GLU 91 Ca 0.28 -0.37 -0.28 0.00 -1.00 0.00 0.00 59.36 58.00 1up4 h GLU 91 Cb 0.35 0.14 0.02 0.00 0.50 0.00 0.00 28.75 29.76 1up4 h GLU 91 CO -0.30 1.16 -1.27 0.78 -1.00 0.00 0.00 179.01 178.38 1up4 h GLY 92 N 1.89 0.46 0.90 -3.84 0.00 -0.44 -3.39 103.07 98.66 1up4 h GLY 92 Ca -0.12 -1.17 -0.01 0.00 0.00 0.00 0.00 47.33 46.03 1up4 h GLY 92 CO 0.19 1.02 0.09 -2.22 0.00 0.00 0.00 176.54 175.62 1up4 h ILE 93 N -0.11 1.16 0.00 2.60 2.04 -1.02 -2.90 117.51 119.29 1up4 h ILE 93 Ca -0.23 -0.49 -0.02 0.00 1.00 0.00 0.00 64.86 65.12 1up4 h ILE 93 Cb 1.92 1.08 -0.00 0.00 -0.74 0.00 0.00 36.82 39.08 1up4 h ILE 93 CO 0.19 0.16 -0.08 -0.65 0.00 0.00 0.00 178.15 177.77 1up4 h PRO 94 N 0.21 0.00 -0.64 2.37 0.11 -1.78 -3.17 132.00 129.10 1up4 h PRO 94 Ca 0.07 0.00 0.08 0.00 0.11 0.00 0.00 66.00 66.27 1up4 h PRO 94 Cb 0.17 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.21 1up4 h PRO 94 CO -0.01 0.08 0.29 -0.07 -0.21 0.00 0.00 178.00 178.09 1up4 h LEU 95 N 0.00 0.36 -1.64 2.35 4.07 -1.57 -1.40 115.31 117.48 1up4 h LEU 95 Ca -0.00 0.06 0.00 0.00 0.08 0.00 0.00 57.88 58.02 1up4 h LEU 95 Cb 0.30 0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.05 1up4 h LEU 95 CO 0.01 0.22 0.00 0.07 -1.08 0.00 0.00 178.44 177.66 1up4 h LYS 96 N 0.51 0.00 -0.01 1.13 2.10 -1.72 -0.57 116.57 118.02 1up4 h LYS 96 Ca 0.31 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.96 1up4 h LYS 96 Cb 0.33 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.66 1up4 h LYS 96 CO -0.26 0.00 -0.24 0.66 -2.00 0.00 0.00 179.45 177.61 1up4 n TYR 97 N -2.59 0.00 -1.58 0.07 4.02 -0.56 -4.92 117.16 111.61 1up4 n TYR 97 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.88 1up4 n TYR 97 Cb 0.13 -0.06 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 1.33 0.39 3.74 2.72 0.00 -0.22 -5.05 105.19 108.09 1up4 n GLY 98 Ca 0.13 -0.96 -0.30 0.00 0.00 0.00 0.00 46.02 44.89 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 0.00 3.65 0.04 0.99 1.02 -1.00 -5.04 118.68 118.35 1up4 s LEU 99 Ca 0.00 -0.08 -0.30 0.00 0.02 0.00 0.00 54.13 53.77 1up4 s LEU 99 Cb 0.00 -2.35 -0.08 0.00 0.02 0.00 0.00 46.19 43.79 1up4 s LEU 99 CO 0.00 0.18 1.66 -0.63 0.02 0.00 0.00 176.35 177.58 1up4 s ILE 100 N -1.34 3.19 -0.40 -0.59 -1.09 -1.26 -3.61 121.20 116.09 1up4 s ILE 100 Ca 0.27 0.54 -0.10 0.00 -2.23 0.00 0.00 60.65 59.13 1up4 s ILE 100 Cb -0.12 -3.35 0.06 0.00 -1.58 0.00 0.00 42.46 37.48 1up4 s ILE 100 CO 0.20 -0.01 0.24 -0.83 -1.23 0.00 0.00 174.94 173.30 1up4 s GLY 101 N 2.70 1.95 -0.11 6.18 0.00 -1.26 -4.37 107.32 112.42 1up4 s GLY 101 Ca 0.74 -2.01 -0.10 0.00 0.00 0.00 0.00 44.72 43.35 1up4 s GLY 101 CO 0.32 0.93 0.29 1.62 0.00 0.00 0.00 173.10 176.25 1up4 s GLN 102 N 1.46 0.33 0.30 2.90 -0.44 -1.26 -4.68 119.66 118.28 1up4 s GLN 102 Ca 0.02 0.40 0.05 0.00 -2.50 0.00 0.00 55.36 53.33 1up4 s GLN 102 Cb -0.22 0.16 0.79 0.00 -1.64 0.00 0.00 33.01 32.11 1up4 s GLN 102 CO 0.03 -0.04 1.66 1.49 0.50 0.00 0.00 175.29 178.94 1up4 h GLU 103 N 5.70 0.28 0.00 1.67 4.81 -1.88 -3.21 114.58 121.95 1up4 h GLU 103 Ca -0.26 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 1up4 h GLU 103 Cb 1.19 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.51 1up4 h GLU 103 CO 0.33 0.18 0.00 0.25 -0.73 0.00 0.00 179.01 179.04 1up4 n THR 104 N -5.14 0.00 -5.11 0.32 -2.24 -1.26 -3.79 114.28 97.07 1up4 n THR 104 Ca 0.24 -0.41 -0.31 0.00 -2.27 0.00 0.00 64.05 61.30 1up4 n THR 104 Cb 0.74 1.11 -0.17 0.00 -2.10 0.00 0.00 70.33 69.91 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 -0.31 1.89 0.00 4.28 2.01 -1.21 -4.36 115.64 117.93 1up4 s THR 105 Ca 0.00 -0.93 0.00 0.00 0.31 0.00 0.00 61.69 61.07 1up4 s THR 105 Cb 0.00 -1.64 0.00 0.00 0.01 0.00 0.00 72.50 70.87 1up4 s THR 105 CO 0.00 0.52 0.00 0.61 -0.69 0.00 0.00 174.62 175.06 1up4 n GLY 106 N 3.53 -0.15 0.38 4.40 0.00 -1.26 -3.81 105.19 108.27 1up4 n GLY 106 Ca -0.20 -1.01 0.15 0.00 0.00 0.00 0.00 46.02 44.96 1up4 n GLY 106 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1up4 h VAL 107 N 0.00 0.81 -0.54 1.61 2.07 -1.80 -0.01 116.25 118.40 1up4 h VAL 107 Ca 0.00 -0.15 0.03 0.00 0.82 0.00 0.00 66.70 67.40 1up4 h VAL 107 Cb 0.00 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 30.05 1up4 h VAL 107 CO 0.00 0.08 0.31 1.23 0.02 0.00 0.00 177.57 179.21 1up4 h GLY 108 N 0.45 0.76 2.00 2.17 0.00 -1.69 -1.55 103.07 105.20 1up4 h GLY 108 Ca 0.37 -0.22 -0.07 0.00 0.00 0.00 0.00 47.33 47.41 1up4 h GLY 108 CO -0.12 0.17 -0.34 -1.33 0.00 0.00 0.00 176.54 174.92 1up4 h GLY 109 N 0.60 0.00 0.90 4.60 0.00 -1.05 -2.13 103.07 106.00 1up4 h GLY 109 Ca 0.22 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.54 1up4 h GLY 109 CO -0.12 0.00 -0.11 -2.75 0.00 0.00 0.00 176.54 173.56 1up4 h PHE 110 N 0.00 -0.28 -0.26 5.60 3.57 -0.91 0.56 116.94 125.21 1up4 h PHE 110 Ca -0.00 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.39 1up4 h PHE 110 Cb 0.70 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.52 1up4 h PHE 110 CO 0.00 -0.09 -0.26 0.66 -2.23 0.00 0.00 178.31 176.39 1up4 h SER 111 N -0.41 0.51 -0.55 0.41 4.64 -1.36 -1.57 113.55 115.22 1up4 h SER 111 Ca -0.03 -0.18 0.02 0.00 -0.47 0.00 0.00 61.79 61.14 1up4 h SER 111 Cb 0.31 -0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 62.23 1up4 h SER 111 CO 0.05 0.76 0.33 0.00 -0.87 0.00 0.00 176.83 177.10 1up4 h ALA 112 N 1.28 0.70 -0.50 5.18 0.00 -1.22 -1.97 119.26 122.74 1up4 h ALA 112 Ca 0.06 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1up4 h ALA 112 Cb 0.68 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1up4 h ALA 112 CO 0.05 0.06 0.10 0.00 0.00 0.00 0.00 179.25 179.46 1up4 h ALA 113 N 1.24 0.66 -0.31 0.00 0.00 -0.48 -1.62 119.26 118.73 1up4 h ALA 113 Ca 0.22 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1up4 h ALA 113 Cb 0.01 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1up4 h ALA 113 CO -0.09 0.37 0.12 -0.07 0.00 0.00 0.00 179.25 179.58 1up4 h LEU 114 N 0.69 0.39 -0.71 0.00 3.38 -1.06 -1.15 115.31 116.85 1up4 h LEU 114 Ca 0.15 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.96 1up4 h LEU 114 Cb 0.36 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1up4 h LEU 114 CO 0.01 0.37 -0.35 -0.09 0.09 0.00 0.00 178.44 178.46 1up4 h ARG 115 N 0.44 0.60 0.00 1.13 2.43 -1.01 -3.35 114.38 114.62 1up4 h ARG 115 Ca 0.11 -0.28 -0.00 0.00 -0.81 0.00 0.00 59.98 59.00 1up4 h ARG 115 Cb 0.10 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 1up4 h ARG 115 CO -0.01 0.86 -0.01 0.00 -1.51 0.00 0.00 179.97 179.30 1up4 h ALA 116 N 1.11 0.00 -0.88 2.80 0.00 -0.28 -3.40 119.26 118.62 1up4 h ALA 116 Ca 0.05 -0.41 0.15 0.00 0.00 0.00 0.00 54.91 54.71 1up4 h ALA 116 Cb 0.84 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.48 1up4 h ALA 116 CO 0.07 -0.09 -0.32 0.74 0.00 0.00 0.00 179.25 179.65 1up4 h PHE 117 N -0.80 -0.86 -0.81 0.00 0.04 -1.39 -0.60 116.94 112.53 1up4 h PHE 117 Ca -0.00 0.09 -0.03 0.00 2.80 0.00 0.00 57.97 60.83 1up4 h PHE 117 Cb 0.82 0.51 -0.04 0.00 2.20 0.00 0.00 35.95 39.44 1up4 h PHE 117 CO 0.21 -0.39 0.39 -1.35 -0.60 0.00 0.00 178.31 176.56 1up4 h PRO 118 N -0.04 1.17 -0.23 1.51 0.11 -1.77 0.75 132.00 133.50 1up4 h PRO 118 Ca 0.35 -0.17 -0.03 0.00 0.11 0.00 0.00 66.00 66.26 1up4 h PRO 118 Cb 0.61 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.50 1up4 h PRO 118 CO -0.90 0.91 0.03 0.82 -0.21 0.00 0.00 178.00 178.64 1up4 h ILE 119 N 1.15 1.23 -0.18 4.15 2.04 -1.40 -2.36 117.51 122.15 1up4 h ILE 119 Ca 0.28 -0.78 -0.14 0.00 1.00 0.00 0.00 64.86 65.21 1up4 h ILE 119 Cb 0.12 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 1up4 h ILE 119 CO -0.03 0.25 -0.50 -0.37 0.00 0.00 0.00 178.15 177.50 1up4 h VAL 120 N 0.19 1.32 -0.17 1.67 -1.51 -0.82 -0.76 116.25 116.18 1up4 h VAL 120 Ca 0.07 -1.72 0.03 0.00 -1.23 0.00 0.00 66.70 63.85 1up4 h VAL 120 Cb 0.34 1.73 -0.03 0.00 -2.13 0.00 0.00 31.29 31.19 1up4 h VAL 120 CO 0.01 0.53 -0.05 -0.08 -1.23 0.00 0.00 177.57 176.75 1up4 h GLU 121 N 0.38 -0.01 -0.36 5.19 4.81 -0.81 0.44 114.58 124.21 1up4 h GLU 121 Ca 0.02 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.26 1up4 h GLU 121 Cb 1.01 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.37 1up4 h GLU 121 CO 0.09 -0.01 0.21 1.49 -0.73 0.00 0.00 179.01 180.06 1up4 h GLU 122 N -0.01 0.42 -0.29 1.92 4.81 -1.15 -1.59 114.58 118.68 1up4 h GLU 122 Ca 0.08 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.24 1up4 h GLU 122 Cb 0.14 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 1up4 h GLU 122 CO -0.18 0.28 0.00 1.88 -0.73 0.00 0.00 179.01 180.26 1up4 h TYR 123 N 0.43 0.56 -0.59 0.92 0.05 -0.72 -2.21 116.97 115.42 1up4 h TYR 123 Ca 0.14 -0.10 -0.01 0.00 0.05 0.00 0.00 58.73 58.82 1up4 h TYR 123 Cb -0.01 -0.15 -0.03 0.00 1.01 0.00 0.00 36.73 37.56 1up4 h TYR 123 CO -0.07 0.65 0.35 0.28 -1.05 0.00 0.00 178.16 178.32 1up4 h VAL 124 N 0.31 1.18 -0.62 -2.88 2.07 -0.09 -1.67 116.25 114.55 1up4 h VAL 124 Ca 0.08 -0.42 0.04 0.00 0.82 0.00 0.00 66.70 67.22 1up4 h VAL 124 Cb 0.43 0.39 -0.04 0.00 -1.52 0.00 0.00 31.29 30.54 1up4 h VAL 124 CO 0.01 0.19 0.36 -0.78 0.02 0.00 0.00 177.57 177.38 1up4 h ASP 125 N 0.80 0.57 -0.49 0.57 3.58 -1.08 0.33 116.42 120.70 1up4 h ASP 125 Ca 0.21 0.01 -0.09 0.00 0.42 0.00 0.00 57.03 57.59 1up4 h ASP 125 Cb 0.00 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 40.93 1up4 h ASP 125 CO -0.04 0.39 -0.03 0.74 -2.88 0.00 0.00 179.24 177.41 1up4 h THR 126 N 0.70 1.27 -0.27 2.25 2.02 -1.14 -0.79 112.91 116.95 1up4 h THR 126 Ca 0.26 -1.13 -0.01 0.00 0.77 0.00 0.00 66.41 66.30 1up4 h THR 126 Cb 0.08 1.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 1up4 h THR 126 CO -0.13 0.39 0.12 0.58 0.37 0.00 0.00 175.52 176.86 1up4 h VAL 127 N 0.75 1.15 0.00 3.16 2.07 -0.84 -2.30 116.25 120.24 1up4 h VAL 127 Ca 0.13 -0.44 -0.05 0.00 0.82 0.00 0.00 66.70 67.16 1up4 h VAL 127 Cb 0.56 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 1up4 h VAL 127 CO 0.03 0.15 -0.24 -0.09 0.02 0.00 0.00 177.57 177.44 1up4 h ARG 128 N 0.29 0.00 -0.00 1.57 2.43 -0.73 -1.00 114.38 116.94 1up4 h ARG 128 Ca 0.09 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1up4 h ARG 128 Cb 0.13 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1up4 h ARG 128 CO -0.01 0.24 -0.08 1.63 -1.51 0.00 0.00 179.97 180.24 1up4 n LYS 129 N -4.12 0.88 0.00 0.20 5.02 -0.32 -4.55 118.16 115.26 1up4 n LYS 129 Ca -0.02 -0.32 0.00 0.00 -2.02 0.00 0.00 58.31 55.95 1up4 n LYS 129 Cb 0.31 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.82 1up4 n LYS 129 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1up4 n THR 130 N -0.78 0.00 0.56 -0.18 -2.24 -0.69 -4.98 114.28 105.97 1up4 n THR 130 Ca 0.16 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.06 1up4 n THR 130 Cb 0.27 0.00 0.21 0.00 -2.10 0.00 0.00 70.33 68.71 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 -5.68 3.42 4.64 -1.57 -3.48 113.55 110.88 1up4 h SER 131 Ca 0.00 -0.16 -0.42 0.00 -0.47 0.00 0.00 61.79 60.74 1up4 h SER 131 Cb 0.00 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.02 1up4 h SER 131 CO 0.00 0.08 -0.64 0.59 -0.87 0.00 0.00 176.83 175.99 1up4 n ASN 132 N -2.19 -4.26 -4.77 4.97 3.02 -0.46 -4.93 115.26 106.64 1up4 n ASN 132 Ca 0.04 -0.54 -0.32 0.00 -0.03 0.00 0.00 54.58 53.73 1up4 n ASN 132 Cb 0.44 -3.47 0.08 0.00 -0.61 0.00 0.00 39.78 36.22 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 -3.09 2.30 -0.03 5.41 0.00 -1.26 -4.99 121.76 120.10 1up4 s ALA 133 Ca 0.49 0.38 -0.30 0.00 0.00 0.00 0.00 51.96 52.53 1up4 s ALA 133 Cb -0.25 -3.30 -0.05 0.00 0.00 0.00 0.00 23.12 19.52 1up4 s ALA 133 CO 0.61 -1.64 1.35 0.99 0.00 0.00 0.00 175.76 177.07 1up4 s THR 134 N -2.70 3.90 -0.25 0.00 2.01 -0.73 -4.89 115.64 112.98 1up4 s THR 134 Ca 0.63 1.24 -0.14 0.00 0.31 0.00 0.00 61.69 63.74 1up4 s THR 134 Cb -0.19 -3.80 -0.04 0.00 0.01 0.00 0.00 72.50 68.48 1up4 s THR 134 CO 0.51 -0.02 0.33 -0.63 -0.69 0.00 0.00 174.62 174.12 1up4 s ILE 135 N 2.53 5.22 -0.31 1.82 1.01 0.07 -0.87 121.20 130.67 1up4 s ILE 135 Ca 0.61 0.50 -0.11 0.00 0.00 0.00 0.00 60.65 61.65 1up4 s ILE 135 Cb -0.29 -3.66 -0.02 0.00 0.01 0.00 0.00 42.46 38.50 1up4 s ILE 135 CO 0.24 0.21 0.18 -0.69 0.00 0.00 0.00 174.94 174.88 1up4 s VAL 136 N 1.75 4.94 -0.19 2.92 1.01 0.70 -0.43 120.40 131.10 1up4 s VAL 136 Ca 0.14 -0.19 -0.05 0.00 0.00 0.00 0.00 61.98 61.87 1up4 s VAL 136 Cb -0.15 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 32.74 1up4 s VAL 136 CO 0.09 0.12 0.01 0.21 0.00 0.00 0.00 175.10 175.53 1up4 s ASN 137 N 1.68 4.98 -0.09 3.32 2.47 -0.42 -0.69 114.94 126.19 1up4 s ASN 137 Ca 0.06 -0.14 0.12 0.00 0.42 0.00 0.00 52.86 53.32 1up4 s ASN 137 Cb -0.17 -1.85 -0.17 0.00 -1.45 0.00 0.00 41.25 37.61 1up4 s ASN 137 CO 0.08 0.10 0.13 0.49 -3.72 0.00 0.00 177.10 174.18 1up4 n PHE 138 N 4.03 0.00 -1.65 0.43 3.72 0.68 -0.69 117.46 123.99 1up4 n PHE 138 Ca -0.17 0.00 -0.57 0.00 -0.05 0.00 0.00 57.45 56.66 1up4 n PHE 138 Cb 0.52 -0.50 -0.07 0.00 -0.94 0.00 0.00 39.48 38.48 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 -2.28 0.12 -3.39 4.37 -1.04 -1.11 -4.62 114.28 106.33 1up4 n THR 139 Ca -0.14 -0.02 -0.33 0.00 -2.04 0.00 0.00 64.05 61.52 1up4 n THR 139 Cb 0.71 -0.83 -0.06 0.00 -1.82 0.00 0.00 70.33 68.33 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 1.96 6.69 -0.33 8.00 0.01 -1.26 -2.66 114.94 127.35 1up4 s ASN 140 Ca 0.93 0.98 -0.26 0.00 -0.71 0.00 0.00 52.86 53.81 1up4 s ASN 140 Cb -1.11 -2.25 0.01 0.00 0.41 0.00 0.00 41.25 38.31 1up4 s ASN 140 CO 0.60 -0.03 0.93 -2.84 -1.51 0.00 0.00 177.10 174.25 1up4 s PRO 141 N -2.58 3.97 0.08 -0.60 0.02 -1.26 -4.74 135.00 129.88 1up4 s PRO 141 Ca 0.45 0.76 -0.23 0.00 0.02 0.00 0.00 61.00 62.00 1up4 s PRO 141 Cb -0.12 -3.75 -0.15 0.00 0.02 0.00 0.00 34.50 30.49 1up4 s PRO 141 CO 0.20 -0.83 1.70 1.03 -0.33 0.00 0.00 177.00 178.77 1up4 h SER 142 N 8.20 -0.02 -0.51 2.53 0.87 -1.76 -0.25 113.55 122.60 1up4 h SER 142 Ca -0.23 -0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.28 1up4 h SER 142 Cb 1.08 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 63.02 1up4 h SER 142 CO 0.96 0.02 0.24 1.23 -0.53 0.00 0.00 176.83 178.75 1up4 h GLY 143 N -0.06 0.80 1.00 5.77 0.00 -1.88 -0.32 103.07 108.37 1up4 h GLY 143 Ca -0.00 -0.40 -0.04 0.00 0.00 0.00 0.00 47.33 46.88 1up4 h GLY 143 CO 0.00 0.38 0.21 0.84 0.00 0.00 0.00 176.54 177.97 1up4 h HIS 144 N 0.68 0.94 -0.75 5.60 6.17 -1.88 -0.12 115.15 125.78 1up4 h HIS 144 Ca 0.17 -0.09 -0.03 0.00 0.71 0.00 0.00 60.37 61.14 1up4 h HIS 144 Cb 0.14 -0.27 -0.03 0.00 2.52 0.00 0.00 27.41 29.76 1up4 h HIS 144 CO -0.00 0.77 0.36 0.82 0.71 0.00 0.00 177.93 180.58 1up4 h ILE 145 N 0.84 1.24 -0.69 6.26 2.04 -0.88 -1.55 117.51 124.77 1up4 h ILE 145 Ca 0.19 -0.69 -0.00 0.00 1.00 0.00 0.00 64.86 65.36 1up4 h ILE 145 Cb 0.26 0.30 -0.03 0.00 -0.74 0.00 0.00 36.82 36.60 1up4 h ILE 145 CO -0.01 0.29 0.42 0.74 0.00 0.00 0.00 178.15 179.59 1up4 h THR 146 N 1.06 1.20 -0.54 -0.27 2.02 -0.43 0.27 112.91 116.22 1up4 h THR 146 Ca 0.26 -0.45 0.04 0.00 0.77 0.00 0.00 66.41 67.03 1up4 h THR 146 Cb 0.12 0.24 -0.04 0.00 -1.74 0.00 0.00 68.15 66.74 1up4 h THR 146 CO -0.03 0.21 0.30 -0.08 0.37 0.00 0.00 175.52 176.29 1up4 h GLU 147 N 0.95 0.58 0.36 6.66 4.57 -0.76 0.36 114.58 127.29 1up4 h GLU 147 Ca 0.25 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.38 1up4 h GLU 147 Cb -0.03 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.43 1up4 h GLU 147 CO -0.05 0.38 -0.23 0.35 -1.18 0.00 0.00 179.01 178.29 1up4 h PHE 148 N 0.59 -0.60 -0.39 0.92 3.57 -0.61 -1.43 116.94 118.99 1up4 h PHE 148 Ca 0.23 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.63 1up4 h PHE 148 Cb 0.08 0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 1up4 h PHE 148 CO -0.08 -0.35 -0.10 0.28 -2.23 0.00 0.00 178.31 175.82 1up4 h VAL 149 N -0.57 1.28 -0.38 1.41 2.07 -0.76 -0.65 116.25 118.65 1up4 h VAL 149 Ca -0.04 -1.19 -0.14 0.00 0.82 0.00 0.00 66.70 66.14 1up4 h VAL 149 Cb 0.47 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 1up4 h VAL 149 CO 0.03 0.40 -0.33 0.03 0.02 0.00 0.00 177.57 177.72 1up4 h ARG 150 N 0.57 0.89 0.00 1.57 2.47 -0.93 0.12 114.38 119.07 1up4 h ARG 150 Ca 0.10 -0.45 0.00 0.00 -1.26 0.00 0.00 59.98 58.37 1up4 h ARG 150 Cb 0.63 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.96 1up4 h ARG 150 CO 0.04 1.10 -0.93 0.09 0.56 0.00 0.00 179.97 180.83 1up4 n ASN 151 N -4.12 1.04 -0.01 7.04 3.02 -0.54 -3.96 115.26 117.73 1up4 n ASN 151 Ca -0.02 -0.55 -0.02 0.00 -0.03 0.00 0.00 54.58 53.96 1up4 n ASN 151 Cb 0.51 1.20 -0.01 0.00 -0.61 0.00 0.00 39.78 40.87 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 -1.52 0.00 0.32 3.10 4.02 -0.32 -4.66 117.16 118.10 1up4 n TYR 152 Ca 0.01 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.02 1up4 n TYR 152 Cb 0.25 -0.08 0.25 0.00 -0.02 0.00 0.00 39.34 39.74 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 -0.04 0.00 -1.93 7.72 3.38 -1.29 -3.48 115.31 119.67 1up4 h LEU 153 Ca -0.05 0.00 -0.45 0.00 0.09 0.00 0.00 57.88 57.47 1up4 h LEU 153 Cb 1.06 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.82 1up4 h LEU 153 CO -0.02 0.00 -0.86 -0.62 0.09 0.00 0.00 178.44 177.03 1up4 n GLU 154 N -2.89 -3.95 -3.67 1.13 1.02 0.34 -4.97 120.64 107.65 1up4 n GLU 154 Ca 0.04 0.52 -0.39 0.00 -0.02 0.00 0.00 57.16 57.31 1up4 n GLU 154 Cb 0.50 -4.83 -0.12 0.00 -0.02 0.00 0.00 31.44 26.97 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 -3.79 3.19 0.13 -0.32 5.04 -0.78 -5.00 117.35 115.82 1up4 s TYR 155 Ca 0.03 -0.75 -0.11 0.00 -2.44 0.00 0.00 57.07 53.79 1up4 s TYR 155 Cb -0.01 -2.35 -0.06 0.00 0.35 0.00 0.00 41.96 39.89 1up4 s TYR 155 CO 0.85 -0.53 1.44 1.49 -1.34 0.00 0.00 175.55 177.47 1up4 h GLU 156 N 8.34 0.91 -2.32 4.97 4.81 -1.90 -3.34 114.58 126.05 1up4 h GLU 156 Ca -0.30 -0.52 -0.41 0.00 -0.13 0.00 0.00 59.36 58.00 1up4 h GLU 156 Cb 1.13 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 30.49 1up4 h GLU 156 CO 0.62 1.16 1.10 1.63 -0.73 0.00 0.00 179.01 182.79 1up4 n LYS 157 N -4.05 2.73 -3.89 1.92 5.02 -1.26 -4.81 118.16 113.81 1up4 n LYS 157 Ca -0.03 -1.71 -0.28 0.00 -2.02 0.00 0.00 58.31 54.26 1up4 n LYS 157 Cb 0.57 -2.29 -0.16 0.00 -0.02 0.00 0.00 35.03 33.13 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 0.76 1.75 -0.21 2.13 2.19 -1.25 -0.75 117.98 122.60 1up4 s PHE 158 Ca 0.66 -1.14 0.01 0.00 0.33 0.00 0.00 56.93 56.78 1up4 s PHE 158 Cb 0.28 -1.33 0.03 0.00 -1.31 0.00 0.00 43.02 40.68 1up4 s PHE 158 CO -0.06 -0.63 -0.15 0.42 1.83 0.00 0.00 175.22 176.63 1up4 s ILE 159 N 1.62 2.30 0.09 3.12 1.01 0.43 -4.92 121.20 124.84 1up4 s ILE 159 Ca 0.00 -1.08 -0.29 0.00 0.00 0.00 0.00 60.65 59.28 1up4 s ILE 159 Cb -0.16 -2.10 -0.05 0.00 0.01 0.00 0.00 42.46 40.16 1up4 s ILE 159 CO -0.08 0.35 0.92 -0.83 0.00 0.00 0.00 174.94 175.30 1up4 s GLY 160 N 1.27 2.95 0.31 6.18 0.00 -1.09 -1.30 107.32 115.63 1up4 s GLY 160 Ca 0.01 0.51 0.11 0.00 0.00 0.00 0.00 44.72 45.35 1up4 s GLY 160 CO -0.09 1.40 -0.15 -2.27 0.00 0.00 0.00 173.10 171.98 1up4 s LEU 161 N 0.08 2.65 0.10 0.66 2.96 0.13 -0.26 118.68 125.01 1up4 s LEU 161 Ca 0.45 -1.10 -0.16 0.00 -0.22 0.00 0.00 54.13 53.10 1up4 s LEU 161 Cb -0.22 -1.05 0.03 0.00 0.50 0.00 0.00 46.19 45.45 1up4 s LEU 161 CO 0.28 -0.07 0.40 0.00 -1.32 0.00 0.00 176.35 175.64 1up4 n ASN 163 N -0.03 0.61 0.04 0.00 2.04 -1.26 -4.41 115.26 112.25 1up4 n ASN 163 Ca -0.17 -0.38 -0.20 0.00 -0.44 0.00 0.00 54.58 53.39 1up4 n ASN 163 Cb 0.63 0.20 -0.11 0.00 -2.53 0.00 0.00 39.78 37.97 1up4 n ASN 163 CO 0.00 0.00 0.00 1.62 -0.44 0.00 0.00 177.26 178.44 1up4 h VAL 164 N 0.28 1.34 -0.10 3.53 3.04 -1.99 -2.35 116.25 120.01 1up4 h VAL 164 Ca 0.00 -2.25 0.04 0.00 -1.01 0.00 0.00 66.70 63.48 1up4 h VAL 164 Cb 0.50 2.55 -0.06 0.00 -2.01 0.00 0.00 31.29 32.27 1up4 h VAL 164 CO 0.00 0.68 -0.29 -0.65 -1.01 0.00 0.00 177.57 176.30 1up4 h PRO 165 N 0.18 -0.37 -0.03 4.17 0.11 -1.94 -0.40 132.00 133.72 1up4 h PRO 165 Ca -0.13 0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.94 1up4 h PRO 165 Cb 1.62 0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.80 1up4 h PRO 165 CO 0.18 -0.25 -0.32 0.97 -0.21 0.00 0.00 178.00 178.38 1up4 h ILE 166 N -0.38 1.24 -0.39 4.15 2.10 -1.82 -1.66 117.51 120.74 1up4 h ILE 166 Ca 0.09 -1.13 -0.00 0.00 1.08 0.00 0.00 64.86 64.89 1up4 h ILE 166 Cb 0.52 1.58 -0.02 0.00 -1.09 0.00 0.00 36.82 37.81 1up4 h ILE 166 CO -0.32 0.33 0.24 0.78 -1.08 0.00 0.00 178.15 178.10 1up4 h ASN 167 N 0.04 0.46 0.02 2.19 2.35 -0.85 -1.26 115.58 118.53 1up4 h ASN 167 Ca 0.00 -0.05 -0.00 0.00 -0.55 0.00 0.00 56.30 55.70 1up4 h ASN 167 Cb 0.58 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.84 1up4 h ASN 167 CO 0.04 0.37 -0.01 0.15 -1.65 0.00 0.00 177.43 176.34 1up4 h PHE 168 N 0.51 -0.03 -0.28 1.19 3.57 -0.67 -2.31 116.94 118.92 1up4 h PHE 168 Ca 0.14 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.70 1up4 h PHE 168 Cb -0.01 0.01 -0.05 0.00 2.79 0.00 0.00 35.95 38.69 1up4 h PHE 168 CO -0.04 0.15 -0.08 0.82 -2.23 0.00 0.00 178.31 176.94 1up4 h ILE 169 N -0.21 0.71 -0.85 1.41 2.04 -1.24 -1.46 117.51 117.91 1up4 h ILE 169 Ca -0.00 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.96 1up4 h ILE 169 Cb 0.20 0.71 -0.08 0.00 -0.74 0.00 0.00 36.82 36.91 1up4 h ILE 169 CO 0.01 0.00 0.49 -0.09 0.00 0.00 0.00 178.15 178.55 1up4 h ARG 170 N -0.01 0.77 0.26 2.37 2.43 -1.21 0.14 114.38 119.12 1up4 h ARG 170 Ca 0.14 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1up4 h ARG 170 Cb 0.21 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 1up4 h ARG 170 CO -0.29 0.51 -0.26 0.93 -1.51 0.00 0.00 179.97 179.35 1up4 h GLU 171 N 0.79 -0.53 -0.43 0.20 5.08 -0.76 -2.15 114.58 116.78 1up4 h GLU 171 Ca 0.42 0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.81 1up4 h GLU 171 Cb 0.43 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 1up4 h GLU 171 CO -0.27 -0.35 0.23 0.82 -1.00 0.00 0.00 179.01 178.44 1up4 h ILE 172 N -0.55 1.16 -0.45 3.13 1.08 -0.80 -2.95 117.51 118.13 1up4 h ILE 172 Ca -0.01 -0.41 0.09 0.00 -0.39 0.00 0.00 64.86 64.14 1up4 h ILE 172 Cb 0.51 0.65 -0.09 0.00 -3.07 0.00 0.00 36.82 34.81 1up4 h ILE 172 CO -0.05 0.17 -0.15 0.00 -0.69 0.00 0.00 178.15 177.42 1up4 h ALA 173 N 1.09 0.23 0.00 1.87 0.00 -0.67 -1.89 119.26 119.88 1up4 h ALA 173 Ca 0.15 0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.20 1up4 h ALA 173 Cb 0.06 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1up4 h ALA 173 CO -0.02 -0.49 -0.03 -0.85 0.00 0.00 0.00 179.25 177.86 1up4 n GLU 174 N -5.36 0.84 0.00 0.00 0.28 -0.82 -0.87 120.64 114.71 1up4 n GLU 174 Ca 0.03 -0.16 0.00 0.00 -0.16 0.00 0.00 57.16 56.87 1up4 n GLU 174 Cb 0.27 -1.32 0.00 0.00 1.43 0.00 0.00 31.44 31.82 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 1.90 0.00 -3.66 -1.84 3.72 -0.71 -4.85 117.46 112.02 1up4 n PHE 176 Ca 0.07 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.24 1up4 n PHE 176 Cb 0.41 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.98 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 -2.50 -4.26 4.37 7.64 -0.05 -5.00 113.62 113.82 1up4 n SER 177 Ca 0.00 -0.86 -0.14 0.00 1.01 0.00 0.00 58.87 58.88 1up4 n SER 177 Cb 0.00 -4.00 -0.10 0.00 -1.01 0.00 0.00 64.21 59.10 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 -3.62 1.48 0.75 -0.43 0.00 -0.40 -5.14 121.76 114.41 1up4 s ALA 178 Ca 0.14 -1.56 -0.11 0.00 0.00 0.00 0.00 51.96 50.43 1up4 s ALA 178 Cb -0.04 0.23 0.04 0.00 0.00 0.00 0.00 23.12 23.35 1up4 s ALA 178 CO 0.82 -0.17 1.10 1.03 0.00 0.00 0.00 175.76 178.53 1up4 s ARG 179 N -3.80 2.48 0.18 0.00 0.52 -1.26 -4.53 118.95 112.54 1up4 s ARG 179 Ca 0.20 0.57 -0.13 0.00 -0.52 0.00 0.00 55.73 55.85 1up4 s ARG 179 Cb 0.04 -1.97 0.17 0.00 0.52 0.00 0.00 34.95 33.71 1up4 s ARG 179 CO 0.02 -1.33 1.72 -0.07 0.02 0.00 0.00 175.30 175.67 1up4 h LEU 180 N -0.87 0.02 -0.27 2.53 4.07 -1.95 -2.30 115.31 116.53 1up4 h LEU 180 Ca -0.46 0.08 0.00 0.00 0.08 0.00 0.00 57.88 57.58 1up4 h LEU 180 Cb 1.26 0.11 0.00 0.00 1.08 0.00 0.00 40.66 43.11 1up4 h LEU 180 CO 0.61 0.04 0.00 -1.84 -1.08 0.00 0.00 178.44 176.17 1up4 n GLU 181 N -5.10 0.10 0.00 1.13 0.28 -1.26 -1.79 120.64 114.00 1up4 n GLU 181 Ca 0.05 0.29 0.10 0.00 -0.16 0.00 0.00 57.16 57.44 1up4 n GLU 181 Cb 0.23 -1.67 0.50 0.00 1.43 0.00 0.00 31.44 31.93 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 -1.86 0.00 -4.53 -1.84 9.92 -0.86 -4.71 116.55 112.67 1up4 n ASP 182 Ca 0.04 0.19 -0.36 0.00 -0.53 0.00 0.00 54.79 54.13 1up4 n ASP 182 Cb 0.24 -0.37 -0.11 0.00 -0.64 0.00 0.00 41.12 40.23 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 -2.75 4.66 -0.07 2.53 1.01 -0.74 -0.67 120.40 124.37 1up4 s VAL 183 Ca 0.16 -0.06 0.02 0.00 0.00 0.00 0.00 61.98 62.10 1up4 s VAL 183 Cb 0.14 -3.17 0.01 0.00 0.00 0.00 0.00 36.38 33.37 1up4 s VAL 183 CO 0.35 0.35 -0.13 0.12 0.00 0.00 0.00 175.10 175.79 1up4 s PHE 184 N 1.30 1.60 0.08 5.22 2.19 -0.05 -5.00 117.98 123.30 1up4 s PHE 184 Ca 0.05 -0.62 0.08 0.00 0.33 0.00 0.00 56.93 56.77 1up4 s PHE 184 Cb -0.15 -1.16 -0.04 0.00 -1.31 0.00 0.00 43.02 40.37 1up4 s PHE 184 CO 0.04 -0.32 -0.20 -0.51 1.83 0.00 0.00 175.22 176.07 1up4 s LEU 185 N 0.72 2.58 -0.41 6.12 1.02 -1.26 -0.39 118.68 127.05 1up4 s LEU 185 Ca -0.13 -0.51 -0.21 0.00 0.02 0.00 0.00 54.13 53.30 1up4 s LEU 185 Cb -0.16 -1.48 0.02 0.00 0.02 0.00 0.00 46.19 44.59 1up4 s LEU 185 CO 0.03 0.22 0.64 -0.75 0.02 0.00 0.00 176.35 176.51 1up4 s LYS 186 N -1.72 3.41 -0.01 1.70 2.20 -0.46 -4.91 119.74 119.96 1up4 s LYS 186 Ca 0.15 -0.23 -0.00 0.00 -0.36 0.00 0.00 55.97 55.53 1up4 s LYS 186 Cb -0.10 -3.90 0.01 0.00 -1.51 0.00 0.00 37.83 32.33 1up4 s LYS 186 CO 0.07 -0.92 0.01 -0.47 -0.36 0.00 0.00 175.35 173.69 1up4 s TYR 187 N 2.78 0.01 0.03 4.03 6.14 -1.26 -1.09 117.35 127.99 1up4 s TYR 187 Ca 0.23 0.06 -0.28 0.00 0.64 0.00 0.00 57.07 57.72 1up4 s TYR 187 Cb -0.14 -0.10 0.09 0.00 0.42 0.00 0.00 41.96 42.23 1up4 s TYR 187 CO 0.18 -0.04 0.87 1.52 0.64 0.00 0.00 175.55 178.72 1up4 s TYR 188 N 0.46 -0.34 -4.93 4.97 1.13 -0.66 -4.35 117.35 113.63 1up4 s TYR 188 Ca -0.04 0.17 0.00 0.00 -1.41 0.00 0.00 57.07 55.79 1up4 s TYR 188 Cb -0.05 0.55 0.00 0.00 -1.10 0.00 0.00 41.96 41.36 1up4 s TYR 188 CO -0.01 -0.62 0.00 0.41 -2.51 0.00 0.00 175.55 172.82 1up4 n GLY 189 N -0.29 0.98 3.99 5.49 0.00 -1.22 -0.45 105.19 113.70 1up4 n GLY 189 Ca -0.09 -1.90 -0.19 0.00 0.00 0.00 0.00 46.02 43.84 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 3.84 -0.00 0.99 1.02 -0.70 -0.33 118.68 123.50 1up4 s LEU 190 Ca 0.00 -0.21 -0.35 0.00 0.02 0.00 0.00 54.13 53.59 1up4 s LEU 190 Cb 0.00 -2.76 -0.13 0.00 0.02 0.00 0.00 46.19 43.32 1up4 s LEU 190 CO 0.00 -0.56 1.71 -3.20 0.02 0.00 0.00 176.35 174.32 1up4 n ASN 191 N -1.75 3.06 -1.48 2.29 4.05 -1.26 -0.68 115.26 119.48 1up4 n ASN 191 Ca 0.02 1.03 -0.15 0.00 0.45 0.00 0.00 54.58 55.94 1up4 n ASN 191 Cb 0.58 -1.35 -0.03 0.00 1.23 0.00 0.00 39.78 40.22 1up4 n ASN 191 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 177.26 175.62 1up4 n HIS 192 N 5.02 -0.46 -2.70 1.20 8.25 -1.26 -4.85 115.22 120.42 1up4 n HIS 192 Ca 0.21 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.59 1up4 n HIS 192 Cb 0.27 -2.91 0.11 0.00 1.12 0.00 0.00 29.99 28.58 1up4 n HIS 192 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1up4 n LEU 193 N -1.95 -1.81 -4.54 2.41 0.00 0.14 -4.58 117.00 106.68 1up4 n LEU 193 Ca -0.16 -3.49 -0.25 0.00 0.00 0.00 0.00 56.01 52.11 1up4 n LEU 193 Cb 0.58 0.09 -0.10 0.00 0.00 0.00 0.00 43.42 44.00 1up4 n LEU 193 CO 0.21 1.90 -0.41 -0.94 0.00 0.00 0.00 177.39 178.15 1up4 s SER 194 N -1.28 3.81 -0.00 1.96 1.04 -1.20 -1.72 113.70 116.31 1up4 s SER 194 Ca 0.22 -1.05 -0.01 0.00 0.48 0.00 0.00 55.95 55.59 1up4 s SER 194 Cb 0.40 -0.40 -0.00 0.00 0.10 0.00 0.00 66.02 66.12 1up4 s SER 194 CO -0.08 -0.09 0.01 -0.36 0.98 0.00 0.00 173.24 173.70 1up4 s PHE 195 N -2.53 0.02 -0.14 5.02 0.40 0.41 -1.75 117.98 119.40 1up4 s PHE 195 Ca 0.32 -0.03 0.01 0.00 -0.60 0.00 0.00 56.93 56.63 1up4 s PHE 195 Cb -0.02 -0.02 0.00 0.00 0.51 0.00 0.00 43.02 43.50 1up4 s PHE 195 CO 0.17 -0.04 -0.19 0.42 0.70 0.00 0.00 175.22 176.28 1up4 s ILE 196 N -0.20 2.36 -0.11 0.64 1.01 0.64 -1.66 121.20 123.89 1up4 s ILE 196 Ca -0.02 -0.88 0.12 0.00 0.00 0.00 0.00 60.65 59.87 1up4 s ILE 196 Cb -0.02 -1.97 -0.18 0.00 0.01 0.00 0.00 42.46 40.31 1up4 s ILE 196 CO -0.00 0.53 0.10 1.21 0.00 0.00 0.00 174.94 176.79 1up4 n GLU 197 N 4.03 1.53 -3.80 2.79 2.13 -0.25 -0.77 120.64 126.30 1up4 n GLU 197 Ca -0.19 -0.03 -0.13 0.00 0.66 0.00 0.00 57.16 57.47 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 0.21 -0.41 0.00 0.00 177.13 176.93 1up4 s LYS 198 N -2.47 0.29 -0.10 5.31 2.47 -1.23 -4.95 119.74 119.06 1up4 s LYS 198 Ca -0.06 0.27 0.02 0.00 -1.56 0.00 0.00 55.97 54.63 1up4 s LYS 198 Cb 0.05 0.14 0.01 0.00 -1.46 0.00 0.00 37.83 36.57 1up4 s LYS 198 CO 0.55 -0.04 -0.15 0.08 0.16 0.00 0.00 175.35 175.95 1up4 s VAL 199 N 0.01 1.49 -0.07 4.02 1.01 -1.26 -1.35 120.40 124.24 1up4 s VAL 199 Ca -0.01 -0.64 0.05 0.00 0.00 0.00 0.00 61.98 61.38 1up4 s VAL 199 Cb -0.02 -1.36 -0.01 0.00 0.00 0.00 0.00 36.38 34.99 1up4 s VAL 199 CO 0.00 0.44 -0.24 -0.36 0.00 0.00 0.00 175.10 174.95 1up4 s PHE 200 N 0.94 2.40 -0.12 5.22 0.40 0.47 -1.13 117.98 126.16 1up4 s PHE 200 Ca -0.08 -0.81 -0.00 0.00 -0.60 0.00 0.00 56.93 55.44 1up4 s PHE 200 Cb -0.15 -1.59 0.02 0.00 0.51 0.00 0.00 43.02 41.82 1up4 s PHE 200 CO -0.01 -0.28 -0.08 0.08 0.70 0.00 0.00 175.22 175.63 1up4 s VAL 201 N 0.04 1.09 -1.35 -0.44 1.01 0.03 -0.87 120.40 119.89 1up4 s VAL 201 Ca -0.09 -0.33 -0.09 0.00 0.00 0.00 0.00 61.98 61.47 1up4 s VAL 201 Cb -0.15 -1.09 0.07 0.00 0.00 0.00 0.00 36.38 35.21 1up4 s VAL 201 CO 0.05 0.38 0.55 0.29 0.00 0.00 0.00 175.10 176.37 1up4 n LYS 202 N 4.89 -3.76 0.00 2.72 5.02 0.15 -1.26 118.16 125.92 1up4 n LYS 202 Ca -0.13 0.54 0.00 0.00 -2.02 0.00 0.00 58.31 56.70 1up4 n LYS 202 Cb 0.50 -5.29 0.00 0.00 -0.02 0.00 0.00 35.03 30.22 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 -1.27 3.18 3.74 0.72 0.00 -1.26 -5.03 105.19 105.27 1up4 n GLY 203 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.47 4.78 -0.49 1.61 2.12 -0.39 -5.00 118.70 120.86 1up4 s GLU 204 Ca 0.00 1.45 -0.28 0.00 0.36 0.00 0.00 54.97 56.50 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 0.40 1.40 0.34 -0.54 0.00 0.00 175.26 176.86 1up4 s ASP 205 N -0.71 6.24 -0.09 -1.70 -1.08 -1.26 -0.79 116.67 117.28 1up4 s ASP 205 Ca 0.43 0.53 0.12 0.00 -0.52 0.00 0.00 52.55 53.12 1up4 s ASP 205 Cb -0.25 -2.54 0.26 0.00 -1.46 0.00 0.00 42.92 38.93 1up4 s ASP 205 CO 0.31 -1.57 1.18 1.33 0.52 0.00 0.00 175.17 176.93 1up4 n VAL 206 N 6.97 1.62 -0.16 1.11 0.24 -0.28 -4.76 118.33 123.07 1up4 n VAL 206 Ca 0.14 -1.69 -0.03 0.00 -2.04 0.00 0.00 64.34 60.72 1up4 n VAL 206 Cb 0.49 0.05 0.03 0.00 -1.47 0.00 0.00 33.84 32.94 1up4 n VAL 206 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 1up4 h THR 207 N 0.61 0.41 -0.53 3.34 2.02 -1.87 -0.70 112.91 116.20 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 0.92 0.41 -0.06 0.00 -1.74 0.00 0.00 68.15 67.69 1up4 h THR 207 CO 0.04 0.00 0.21 -0.08 0.37 0.00 0.00 175.52 176.07 1up4 h GLU 208 N -0.06 0.40 -0.23 6.66 4.57 -1.93 -1.29 114.58 122.71 1up4 h GLU 208 Ca 0.24 -0.02 -0.06 0.00 -1.18 0.00 0.00 59.36 58.34 1up4 h GLU 208 Cb 0.43 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.91 1up4 h GLU 208 CO -0.55 0.26 -0.11 0.87 -1.18 0.00 0.00 179.01 178.30 1up4 h LYS 209 N 0.41 0.37 -0.21 1.92 1.57 -1.69 -1.59 116.57 117.35 1up4 h LYS 209 Ca 0.25 -0.09 -0.18 0.00 -1.87 0.00 0.00 60.65 58.75 1up4 h LYS 209 Cb 0.24 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 1up4 h LYS 209 CO -0.23 0.50 -0.60 0.28 -0.57 0.00 0.00 179.45 178.83 1up4 h VAL 210 N 0.35 1.30 -0.15 0.50 2.07 -0.45 -2.05 116.25 117.82 1up4 h VAL 210 Ca 0.07 -1.83 -0.00 0.00 0.82 0.00 0.00 66.70 65.76 1up4 h VAL 210 Cb 0.42 1.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.96 1up4 h VAL 210 CO 0.02 0.58 0.09 -0.26 0.02 0.00 0.00 177.57 178.02 1up4 h PHE 211 N 0.53 0.21 -0.30 1.57 0.04 -0.91 -1.43 116.94 116.64 1up4 h PHE 211 Ca -0.00 -0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.71 1up4 h PHE 211 Cb 1.19 -0.07 -0.02 0.00 2.20 0.00 0.00 35.95 39.25 1up4 h PHE 211 CO 0.06 0.20 -0.03 0.93 -0.60 0.00 0.00 178.31 178.88 1up4 h GLU 212 N 0.15 0.46 0.00 1.51 5.08 -1.24 -2.34 114.58 118.21 1up4 h GLU 212 Ca 0.05 -0.10 -0.05 0.00 -1.00 0.00 0.00 59.36 58.27 1up4 h GLU 212 Cb 0.06 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1up4 h GLU 212 CO -0.01 0.51 -0.43 -0.91 -1.00 0.00 0.00 179.01 177.17 1up4 h ASN 213 N 0.44 0.00 0.60 1.42 2.35 -1.28 -3.08 115.58 116.03 1up4 h ASN 213 Ca 0.09 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.82 1up4 h ASN 213 Cb 0.34 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.70 1up4 h ASN 213 CO 0.01 0.21 -0.10 -0.07 -1.65 0.00 0.00 177.43 175.84 1up4 h LEU 214 N 0.00 0.00 -8.87 1.61 4.07 -0.69 -3.51 115.31 107.92 1up4 h LEU 214 Ca -0.02 0.00 -0.59 0.00 0.08 0.00 0.00 57.88 57.36 1up4 h LEU 214 Cb 1.18 0.00 -0.09 0.00 1.08 0.00 0.00 40.66 42.83 1up4 h LEU 214 CO 0.03 0.10 0.64 -0.54 -1.08 0.00 0.00 178.44 177.58 1up4 s LYS 215 N -3.94 3.91 -0.08 1.13 1.02 -1.17 -5.09 119.74 115.53 1up4 s LYS 215 Ca -0.01 0.69 0.07 0.00 0.02 0.00 0.00 55.97 56.74 1up4 s LYS 215 Cb 0.11 -3.78 -0.24 0.00 -0.52 0.00 0.00 37.83 33.40 1up4 s LYS 215 CO 0.56 -0.91 0.53 -3.47 -0.92 0.00 0.00 175.35 171.14 1up4 n ASP 223 N 6.74 1.20 0.00 2.83 -0.08 -1.26 -5.07 116.55 120.91 1up4 n ASP 223 Ca 0.08 0.32 0.14 0.00 -1.51 0.00 0.00 54.79 53.82 1up4 n ASP 223 Cb 0.48 -0.24 0.69 0.00 2.34 0.00 0.00 41.12 44.40 1up4 n ASP 223 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1up4 n GLU 224 N -3.15 0.38 -4.20 -0.67 4.07 -1.26 -4.83 120.64 110.98 1up4 n GLU 224 Ca -0.23 0.03 -0.25 0.00 -0.06 0.00 0.00 57.16 56.65 1up4 n GLU 224 Cb 1.06 -1.50 -0.08 0.00 -0.06 0.00 0.00 31.44 30.86 1up4 n GLU 224 CO 0.00 0.00 0.00 0.16 -0.06 0.00 0.00 177.13 177.23 1up4 s ASP 225 N -2.58 4.37 0.42 4.31 1.47 -1.26 -5.05 116.67 118.35 1up4 s ASP 225 Ca 0.26 -1.04 -0.26 0.00 1.18 0.00 0.00 52.55 52.69 1up4 s ASP 225 Cb 0.18 -0.52 -0.09 0.00 -0.34 0.00 0.00 42.92 42.15 1up4 s ASP 225 CO 0.42 -0.44 1.45 -0.36 0.68 0.00 0.00 175.17 176.92 1up4 s PHE 226 N -2.56 2.50 0.83 2.11 0.08 -1.26 -4.99 117.98 114.68 1up4 s PHE 226 Ca 0.39 1.23 -0.12 0.00 0.12 0.00 0.00 56.93 58.55 1up4 s PHE 226 Cb 0.03 -3.96 0.09 0.00 -0.57 0.00 0.00 43.02 38.61 1up4 s PHE 226 CO 0.22 -2.96 1.11 -1.25 -0.10 0.00 0.00 175.22 172.24 1up4 s PRO 227 N -2.33 1.83 0.18 0.24 0.04 -1.26 -4.95 135.00 128.76 1up4 s PRO 227 Ca 0.58 0.50 -0.14 0.00 0.04 0.00 0.00 61.00 61.98 1up4 s PRO 227 Cb -0.45 -1.90 0.16 0.00 0.04 0.00 0.00 34.50 32.36 1up4 s PRO 227 CO 0.59 -1.76 1.69 1.15 0.04 0.00 0.00 177.00 178.71 1up4 h THR 228 N -1.19 0.65 -0.25 1.26 2.02 -1.97 -2.37 112.91 111.06 1up4 h THR 228 Ca -0.48 -0.04 0.04 0.00 0.77 0.00 0.00 66.41 66.70 1up4 h THR 228 Cb 1.29 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 68.20 1up4 h THR 228 CO 0.61 0.02 0.17 4.11 0.37 0.00 0.00 175.52 180.80 1up4 h TRP 229 N 0.13 0.16 -0.42 3.16 5.08 -1.99 -1.71 115.95 120.36 1up4 h TRP 229 Ca 0.23 0.00 0.03 0.00 1.08 0.00 0.00 58.89 60.24 1up4 h TRP 229 Cb 0.34 -0.05 -0.04 0.00 -3.00 0.00 0.00 29.16 26.41 1up4 h TRP 229 CO -0.29 0.09 0.21 0.35 -1.28 0.00 0.00 178.44 177.53 1up4 h PHE 230 N 0.17 0.40 -0.14 0.12 3.57 -1.79 0.89 116.94 120.15 1up4 h PHE 230 Ca 0.11 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.50 1up4 h PHE 230 Cb 0.23 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 1up4 h PHE 230 CO -0.00 0.21 -0.45 1.88 -2.23 0.00 0.00 178.31 177.72 1up4 h TYR 231 N 0.43 0.41 -0.86 0.41 0.05 -1.39 -0.06 116.97 115.96 1up4 h TYR 231 Ca 0.18 -0.12 -0.00 0.00 0.05 0.00 0.00 58.73 58.84 1up4 h TYR 231 Cb 0.08 -0.09 -0.04 0.00 1.01 0.00 0.00 36.73 37.69 1up4 h TYR 231 CO -0.10 0.73 0.52 -0.44 -1.05 0.00 0.00 178.16 177.82 1up4 h ASP 232 N 0.28 1.03 0.00 3.88 3.32 -1.04 -2.48 116.42 121.41 1up4 h ASP 232 Ca 0.02 -0.06 -0.02 0.00 0.02 0.00 0.00 57.03 56.99 1up4 h ASP 232 Cb 0.90 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 40.19 1up4 h ASP 232 CO 0.07 0.79 -0.19 0.28 -1.72 0.00 0.00 179.24 178.47 1up4 h SER 233 N 1.18 0.00 0.65 6.45 0.02 -0.52 -3.39 113.55 117.95 1up4 h SER 233 Ca 0.31 -0.27 -0.17 0.00 -0.84 0.00 0.00 61.79 60.83 1up4 h SER 233 Cb -0.05 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.47 1up4 h SER 233 CO -0.06 0.74 -0.76 0.58 -1.14 0.00 0.00 176.83 176.19 1up4 h VAL 234 N -1.00 1.50 -6.56 2.27 2.07 -1.16 -3.48 116.25 109.90 1up4 h VAL 234 Ca -0.03 -2.49 -0.52 0.00 0.82 0.00 0.00 66.70 64.49 1up4 h VAL 234 Cb 0.42 2.35 -0.13 0.00 -1.52 0.00 0.00 31.29 32.41 1up4 h VAL 234 CO -0.02 0.72 -0.82 0.54 0.02 0.00 0.00 177.57 178.01 1up4 n ARG 235 N -3.69 -3.96 -4.26 1.57 1.74 -0.93 -4.99 116.66 102.14 1up4 n ARG 235 Ca -0.02 0.45 -0.17 0.00 -0.77 0.00 0.00 57.85 57.34 1up4 n ARG 235 Cb 0.73 -5.14 -0.13 0.00 -1.02 0.00 0.00 32.46 26.89 1up4 n ARG 235 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1up4 s LEU 236 N -7.21 2.12 -0.13 0.55 1.43 -1.26 -4.88 118.68 109.29 1up4 s LEU 236 Ca 0.59 -0.33 -0.25 0.00 -1.03 0.00 0.00 54.13 53.11 1up4 s LEU 236 Cb -0.31 -0.40 -0.02 0.00 0.03 0.00 0.00 46.19 45.48 1up4 s LEU 236 CO 0.89 0.01 0.80 -0.63 0.23 0.00 0.00 176.35 177.65 1up4 s ILE 237 N -0.66 4.93 -0.07 -0.59 1.01 0.05 -4.89 121.20 120.98 1up4 s ILE 237 Ca -0.00 1.60 0.03 0.00 0.00 0.00 0.00 60.65 62.27 1up4 s ILE 237 Cb -0.06 -4.12 -0.02 0.00 0.01 0.00 0.00 42.46 38.27 1up4 s ILE 237 CO 0.00 0.09 -0.15 -0.69 0.00 0.00 0.00 174.94 174.20 1up4 s VAL 238 N 1.74 2.95 0.31 2.92 1.01 -1.26 -0.26 120.40 127.80 1up4 s VAL 238 Ca 0.39 -0.74 -0.29 0.00 0.00 0.00 0.00 61.98 61.33 1up4 s VAL 238 Cb -0.17 -2.17 -0.12 0.00 0.00 0.00 0.00 36.38 33.92 1up4 s VAL 238 CO 0.15 0.57 1.46 -3.20 0.00 0.00 0.00 175.10 174.08 1up4 n ASN 239 N 2.71 3.33 0.29 3.32 2.85 -0.72 -4.89 115.26 122.14 1up4 n ASN 239 Ca -0.17 1.17 0.14 0.00 -0.11 0.00 0.00 54.58 55.61 1up4 n ASN 239 Cb 0.52 -1.53 0.86 0.00 1.24 0.00 0.00 39.78 40.87 1up4 n ASN 239 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1up4 h PRO 240 N 3.82 0.00 0.00 1.20 0.11 -1.95 -0.63 132.00 134.55 1up4 h PRO 240 Ca -0.47 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 1up4 h PRO 240 Cb 1.25 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 1up4 h PRO 240 CO 0.72 0.01 -0.04 1.88 -0.21 0.00 0.00 178.00 180.36 1up4 h TYR 241 N 0.00 0.00 -0.02 0.65 -1.99 -1.90 -1.86 116.97 111.85 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 0.02 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 38.75 1up4 h TYR 241 CO 0.00 0.04 0.14 -0.07 -0.00 0.00 0.00 178.16 178.27 1up4 h LEU 242 N 0.00 0.00 -1.59 3.88 -0.00 -1.35 -0.58 115.31 115.66 1up4 h LEU 242 Ca -0.00 0.00 0.12 0.00 -0.00 0.00 0.00 57.88 58.00 1up4 h LEU 242 Cb 0.13 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 40.75 1up4 h LEU 242 CO 0.01 0.00 0.46 0.03 -0.00 0.00 0.00 178.44 178.94 1up4 h ARG 243 N 0.00 0.42 -0.01 1.13 3.08 -1.52 -0.12 114.38 117.36 1up4 h ARG 243 Ca 0.01 -0.03 -0.08 0.00 0.07 0.00 0.00 59.98 59.95 1up4 h ARG 243 Cb 0.28 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 1up4 h ARG 243 CO -0.00 0.28 -0.37 1.88 -1.07 0.00 0.00 179.97 180.69 1up4 h TYR 244 N 0.43 0.01 0.12 3.04 0.05 -1.32 -3.17 116.97 116.14 1up4 h TYR 244 Ca 0.33 -0.00 -0.27 0.00 0.05 0.00 0.00 58.73 58.84 1up4 h TYR 244 Cb 0.69 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.42 1up4 h TYR 244 CO -0.00 0.38 -1.35 1.88 -1.05 0.00 0.00 178.16 178.01 1up4 h TYR 245 N 0.01 0.47 -0.35 4.88 -1.99 -1.48 -3.31 116.97 115.21 1up4 h TYR 245 Ca -0.00 -0.34 -0.10 0.00 2.00 0.00 0.00 58.73 60.28 1up4 h TYR 245 Cb 0.66 -0.02 -0.06 0.00 2.00 0.00 0.00 36.73 39.31 1up4 h TYR 245 CO 0.00 1.53 0.13 1.28 -0.00 0.00 0.00 178.16 181.10 1up4 n LEU 246 N -3.93 3.83 0.00 3.88 7.99 -0.15 -5.00 117.00 123.62 1up4 n LEU 246 Ca -0.23 -1.97 0.00 0.00 -0.01 0.00 0.00 56.01 53.79 1up4 n LEU 246 Cb 0.90 -0.62 0.00 0.00 -0.11 0.00 0.00 43.42 43.59 1up4 n LEU 246 CO 0.42 0.56 0.00 1.21 -1.51 0.00 0.00 177.39 178.08 1up4 n GLU 248 N 0.06 0.00 -0.07 3.23 2.13 -1.24 -5.05 120.64 119.70 1up4 n GLU 248 Ca 0.19 0.00 -0.07 0.00 0.66 0.00 0.00 57.16 57.94 1up4 n GLU 248 Cb 0.84 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 32.54 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 0.01 -0.19 5.31 1.57 -1.93 0.27 116.57 121.62 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 0.01 0.00 1.17 -0.57 0.00 0.00 179.45 180.06 1up4 n LYS 250 N -5.23 0.12 0.00 3.15 3.00 -1.26 -1.95 118.16 116.00 1up4 n LYS 250 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.30 1up4 n LYS 250 Cb 0.16 -1.08 0.00 0.00 0.00 0.00 0.00 35.03 34.11 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 0.46 0.00 0.20 5.64 -0.00 0.95 -2.06 117.46 122.65 1up4 n PHE 252 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 57.45 57.49 1up4 n PHE 252 Cb 0.03 0.00 0.46 0.00 -0.00 0.00 0.00 39.48 39.97 1up4 n PHE 252 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.76 176.54 1up4 h LYS 253 N 0.00 0.04 0.29 -4.13 3.64 -1.63 -1.53 116.57 113.25 1up4 h LYS 253 Ca 0.00 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1up4 h LYS 253 Cb 0.00 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1up4 h LYS 253 CO 0.00 0.24 -0.14 -0.22 -2.27 0.00 0.00 179.45 177.06 1up4 h LYS 254 N 0.04 -0.37 -0.61 1.90 3.64 -1.69 -3.13 116.57 116.35 1up4 h LYS 254 Ca 0.01 0.03 0.09 0.00 -1.27 0.00 0.00 60.65 59.50 1up4 h LYS 254 Cb 0.38 0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 32.21 1up4 h LYS 254 CO 0.03 -0.08 0.25 0.82 -2.27 0.00 0.00 179.45 178.20 1up4 h ILE 255 N -0.99 0.80 0.00 2.00 2.04 -1.83 -2.84 117.51 116.70 1up4 h ILE 255 Ca -0.04 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.67 1up4 h ILE 255 Cb 0.47 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 1up4 h ILE 255 CO 0.07 0.08 0.00 -1.54 0.00 0.00 0.00 178.15 176.76 1up4 n SER 256 N -4.96 0.55 -0.66 1.72 3.41 -0.58 -3.40 113.62 109.70 1up4 n SER 256 Ca 0.09 0.57 0.07 0.00 -0.26 0.00 0.00 58.87 59.34 1up4 n SER 256 Cb 0.26 -0.71 0.20 0.00 -0.26 0.00 0.00 64.21 63.70 1up4 n SER 256 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1up4 n THR 257 N -2.04 1.83 -4.13 6.66 -2.24 -1.07 -5.00 114.28 108.29 1up4 n THR 257 Ca 0.05 -1.65 -0.09 0.00 -2.27 0.00 0.00 64.05 60.09 1up4 n THR 257 Cb 0.36 -0.01 -0.10 0.00 -2.10 0.00 0.00 70.33 68.48 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 -2.26 0.73 0.30 4.78 3.76 -1.21 -5.06 115.29 116.34 1up4 s HIS 258 Ca 0.33 -1.01 -0.28 0.00 -0.15 0.00 0.00 55.06 53.95 1up4 s HIS 258 Cb 0.25 -0.46 -0.14 0.00 1.11 0.00 0.00 32.58 33.35 1up4 s HIS 258 CO 0.09 -0.28 1.00 0.39 -0.85 0.00 0.00 174.74 175.09 1up4 n GLU 259 N 0.02 1.34 -1.75 1.40 1.02 -1.26 -4.89 120.64 116.52 1up4 n GLU 259 Ca -0.12 0.47 -0.42 0.00 -0.02 0.00 0.00 57.16 57.07 1up4 n GLU 259 Cb 0.61 -1.86 -0.01 0.00 -0.02 0.00 0.00 31.44 30.16 1up4 n GLU 259 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1up4 n LEU 260 N 1.16 4.41 -0.31 -4.62 4.77 -1.26 -4.90 117.00 116.24 1up4 n LEU 260 Ca 0.09 1.16 0.00 0.00 -0.03 0.00 0.00 56.01 57.24 1up4 n LEU 260 Cb 0.33 -1.59 0.19 0.00 -2.33 0.00 0.00 43.42 40.01 1up4 n LEU 260 CO 0.60 0.13 1.27 -0.09 -1.33 0.00 0.00 177.39 177.96 1up4 h ARG 261 N 4.37 1.14 -0.59 3.23 9.65 -1.94 -1.97 114.38 128.26 1up4 h ARG 261 Ca -0.48 -0.07 0.07 0.00 -1.10 0.00 0.00 59.98 58.41 1up4 h ARG 261 Cb 1.23 -0.26 -0.04 0.00 -1.39 0.00 0.00 29.97 29.52 1up4 h ARG 261 CO 0.76 0.75 0.40 0.00 2.80 0.00 0.00 179.97 184.68 1up4 h ALA 262 N 1.46 1.89 -0.34 2.80 0.00 -1.90 0.14 119.26 123.30 1up4 h ALA 262 Ca 0.35 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.19 1up4 h ALA 262 Cb -0.05 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1up4 h ALA 262 CO -0.09 -0.00 -0.02 0.00 0.00 0.00 0.00 179.25 179.14 1up4 h ARG 263 N 0.51 0.54 -0.21 0.00 3.08 -1.72 -2.95 114.38 113.64 1up4 h ARG 263 Ca 0.26 -0.12 -0.13 0.00 0.07 0.00 0.00 59.98 60.06 1up4 h ARG 263 Cb 0.38 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1up4 h ARG 263 CO -0.08 0.58 -0.39 0.93 -1.07 0.00 0.00 179.97 179.95 1up4 h GLU 264 N 0.52 0.64 -1.98 0.04 5.08 -0.75 -3.05 114.58 115.08 1up4 h GLU 264 Ca 0.11 -0.40 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 1up4 h GLU 264 Cb 0.36 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1up4 h GLU 264 CO 0.01 1.02 0.00 0.28 -1.00 0.00 0.00 179.01 179.32 1up4 n VAL 265 N -4.24 0.00 0.00 3.13 0.31 -0.69 -1.48 118.33 115.36 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 0.53 -0.58 0.00 0.00 -0.91 0.00 0.00 33.84 32.88 1up4 n VAL 265 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1up4 n LYS 267 N 1.17 0.00 -0.08 5.55 5.02 -1.15 0.22 118.16 128.89 1up4 n LYS 267 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.17 1up4 n LYS 267 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 34.96 1up4 n LYS 267 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1up4 h ILE 268 N 0.00 1.28 -0.59 -0.18 2.04 -1.56 -2.83 117.51 115.67 1up4 h ILE 268 Ca 0.00 -1.03 -0.09 0.00 1.00 0.00 0.00 64.86 64.74 1up4 h ILE 268 Cb 0.00 1.51 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 1up4 h ILE 268 CO 0.00 0.32 0.00 -0.33 0.00 0.00 0.00 178.15 178.14 1up4 h GLU 269 N 0.16 1.03 -0.07 2.37 5.08 -0.50 -0.75 114.58 121.89 1up4 h GLU 269 Ca 0.06 -0.32 -0.03 0.00 -1.00 0.00 0.00 59.36 58.07 1up4 h GLU 269 Cb 0.50 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1up4 h GLU 269 CO 0.02 1.00 -0.11 -0.22 -1.00 0.00 0.00 179.01 178.70 1up4 h LYS 270 N 0.94 0.10 0.08 2.33 3.64 -1.78 -0.56 116.57 121.32 1up4 h LYS 270 Ca 0.17 -0.02 -0.28 0.00 -1.27 0.00 0.00 60.65 59.26 1up4 h LYS 270 Cb 0.54 -0.02 0.03 0.00 -0.41 0.00 0.00 32.23 32.37 1up4 h LYS 270 CO 0.03 0.22 -1.13 0.93 -2.27 0.00 0.00 179.45 177.23 1up4 h GLU 271 N 0.10 0.63 -0.54 1.90 5.08 -1.07 -2.87 114.58 117.81 1up4 h GLU 271 Ca 0.02 -0.78 -0.08 0.00 -1.00 0.00 0.00 59.36 57.53 1up4 h GLU 271 Cb 0.27 0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 1up4 h GLU 271 CO 0.02 1.34 0.03 -0.07 -1.00 0.00 0.00 179.01 179.33 1up4 h LEU 272 N 0.26 0.86 -0.70 1.33 3.38 -0.78 -2.41 115.31 117.25 1up4 h LEU 272 Ca -0.16 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 57.50 1up4 h LEU 272 Cb 1.80 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 42.30 1up4 h LEU 272 CO 0.22 0.91 -0.09 -0.26 0.09 0.00 0.00 178.44 179.30 1up4 h PHE 273 N 0.83 1.00 -0.43 1.13 -1.00 -1.11 0.10 116.94 117.46 1up4 h PHE 273 Ca 0.16 -0.19 -0.08 0.00 2.81 0.00 0.00 57.97 60.67 1up4 h PHE 273 Cb 0.46 -0.25 -0.02 0.00 3.61 0.00 0.00 35.95 39.75 1up4 h PHE 273 CO 0.03 0.94 -0.05 1.49 -1.61 0.00 0.00 178.31 179.11 1up4 h GLU 274 N 0.81 0.73 -0.35 1.51 4.57 -1.41 -3.04 114.58 117.40 1up4 h GLU 274 Ca 0.13 -0.21 -0.16 0.00 -1.18 0.00 0.00 59.36 57.94 1up4 h GLU 274 Cb 0.62 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.12 1up4 h GLU 274 CO 0.04 0.78 -0.41 0.87 -1.18 0.00 0.00 179.01 179.11 1up4 h LYS 275 N 0.68 0.88 0.00 1.92 1.57 -0.87 -3.17 116.57 117.57 1up4 h LYS 275 Ca 0.13 -0.47 -0.00 0.00 -1.87 0.00 0.00 60.65 58.43 1up4 h LYS 275 Cb 0.50 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.83 1up4 h LYS 275 CO 0.03 1.11 -0.02 1.88 -0.57 0.00 0.00 179.45 181.88 1up4 h TYR 276 N 0.71 0.00 -0.37 -1.35 0.05 -0.71 -2.40 116.97 112.90 1up4 h TYR 276 Ca 0.05 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.83 1up4 h TYR 276 Cb 0.99 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.71 1up4 h TYR 276 CO 0.06 0.02 0.19 0.00 -1.05 0.00 0.00 178.16 177.38 1up4 h ARG 277 N 0.00 0.50 0.00 4.88 3.08 -1.52 -3.34 114.38 117.98 1up4 h ARG 277 Ca -0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1up4 h ARG 277 Cb 0.09 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.04 1up4 h ARG 277 CO 0.00 0.38 -0.20 0.25 -1.07 0.00 0.00 179.97 179.34 1up4 n THR 278 N -4.43 0.00 -2.25 2.04 -2.24 -1.08 -4.99 114.28 101.34 1up4 n THR 278 Ca 0.02 -0.23 -0.42 0.00 -2.27 0.00 0.00 64.05 61.16 1up4 n THR 278 Cb 0.10 0.80 -0.03 0.00 -2.10 0.00 0.00 70.33 69.10 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 -0.86 3.52 -1.73 6.98 0.00 -0.92 -4.92 121.76 123.83 1up4 s ALA 279 Ca 0.00 1.05 0.27 0.00 0.00 0.00 0.00 51.96 53.28 1up4 s ALA 279 Cb 0.00 -3.49 0.82 0.00 0.00 0.00 0.00 23.12 20.45 1up4 s ALA 279 CO 0.00 -0.54 1.61 0.28 0.00 0.00 0.00 175.76 177.11 1up4 n VAL 280 N 3.44 0.00 -3.77 0.00 0.31 -1.26 -4.89 118.33 112.16 1up4 n VAL 280 Ca 0.09 -0.12 -0.13 0.00 -0.01 0.00 0.00 64.34 64.17 1up4 n VAL 280 Cb 0.43 0.33 -0.10 0.00 -0.91 0.00 0.00 33.84 33.59 1up4 n VAL 280 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1up4 s GLU 281 N -2.50 0.52 0.02 5.55 2.56 -1.26 -4.79 118.70 118.79 1up4 s GLU 281 Ca 0.25 0.10 -0.34 0.00 0.00 0.00 0.00 54.97 54.98 1up4 s GLU 281 Cb 0.19 0.24 -0.13 0.00 2.00 0.00 0.00 34.13 36.43 1up4 s GLU 281 CO 0.52 -0.11 1.76 -0.89 -0.56 0.00 0.00 175.26 175.97 1up4 n ILE 282 N 2.07 0.34 0.23 -3.70 5.41 -1.26 -5.10 119.36 117.34 1up4 n ILE 282 Ca -0.17 -0.06 0.08 0.00 1.00 0.00 0.00 62.75 63.60 1up4 n ILE 282 Cb 0.57 -1.75 0.54 0.00 -0.71 0.00 0.00 39.64 38.29 1up4 n ILE 282 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 1up4 h PRO 283 N 7.86 0.00 0.00 0.38 0.13 -1.98 -3.54 132.00 134.86 1up4 h PRO 283 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1up4 h PRO 283 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1up4 h PRO 283 CO 0.92 0.23 0.00 2.48 -0.23 0.00 0.00 178.00 181.40 1up4 n TYR 294 N -3.79 0.00 -0.01 1.56 4.11 -1.26 -5.17 117.16 112.60 1up4 n TYR 294 Ca -0.02 0.00 -0.11 0.00 -0.00 0.00 0.00 57.90 57.77 1up4 n TYR 294 Cb 0.33 0.00 -0.06 0.00 -0.00 0.00 0.00 39.34 39.61 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 0.13 -1.00 9.48 4.64 -1.94 -1.59 113.55 123.26 1up4 h SER 295 Ca 0.00 -0.13 0.02 0.00 -0.47 0.00 0.00 61.79 61.21 1up4 h SER 295 Cb 0.00 -0.03 -0.05 0.00 -0.31 0.00 0.00 62.40 62.00 1up4 h SER 295 CO 0.00 0.22 0.66 0.00 -0.87 0.00 0.00 176.83 176.84 1up4 h THR 296 N 0.03 1.23 -0.40 2.95 1.03 -1.92 -1.57 112.91 114.25 1up4 h THR 296 Ca 0.03 -0.46 0.01 0.00 -0.01 0.00 0.00 66.41 65.98 1up4 h THR 296 Cb 0.13 -0.21 -0.02 0.00 -1.07 0.00 0.00 68.15 66.97 1up4 h THR 296 CO -0.00 0.24 0.26 0.00 -0.01 0.00 0.00 175.52 176.01 1up4 h ALA 297 N 1.38 0.51 -0.12 0.00 0.00 -1.86 0.42 119.26 119.59 1up4 h ALA 297 Ca 0.38 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 1up4 h ALA 297 Cb -0.11 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1up4 h ALA 297 CO -0.09 -0.04 0.07 0.00 0.00 0.00 0.00 179.25 179.18 1up4 h ALA 298 N 1.15 0.15 -0.28 0.00 0.00 -0.86 -1.72 119.26 117.70 1up4 h ALA 298 Ca 0.15 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 1up4 h ALA 298 Cb -0.06 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1up4 h ALA 298 CO -0.04 -0.31 -0.29 0.00 0.00 0.00 0.00 179.25 178.61 1up4 h ALA 299 N 0.97 0.42 -0.20 0.00 0.00 -1.03 -1.31 119.26 118.11 1up4 h ALA 299 Ca 0.04 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.47 1up4 h ALA 299 Cb 0.07 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1up4 h ALA 299 CO -0.01 0.43 -0.20 0.45 0.00 0.00 0.00 179.25 179.92 1up4 h HIS 300 N 0.43 0.39 -0.18 0.00 3.86 -0.90 0.72 115.15 119.47 1up4 h HIS 300 Ca 0.04 -0.07 -0.06 0.00 -1.16 0.00 0.00 60.37 59.13 1up4 h HIS 300 Cb 0.86 -0.10 -0.00 0.00 1.06 0.00 0.00 27.41 29.23 1up4 h HIS 300 CO 0.07 0.55 -0.13 1.25 0.86 0.00 0.00 177.93 180.53 1up4 h LEU 301 N 0.33 0.42 -0.61 2.43 5.85 -1.02 -2.25 115.31 120.46 1up4 h LEU 301 Ca 0.06 -0.45 -0.01 0.00 0.84 0.00 0.00 57.88 58.31 1up4 h LEU 301 Cb 0.55 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 1up4 h LEU 301 CO 0.04 0.78 0.33 0.40 -0.34 0.00 0.00 178.44 179.65 1up4 h ILE 302 N 0.07 1.20 -0.76 4.05 2.04 -0.89 -0.55 117.51 122.67 1up4 h ILE 302 Ca 0.03 -0.52 0.16 0.00 1.00 0.00 0.00 64.86 65.53 1up4 h ILE 302 Cb 0.64 0.42 -0.10 0.00 -0.74 0.00 0.00 36.82 37.04 1up4 h ILE 302 CO 0.03 0.22 0.25 -0.09 0.00 0.00 0.00 178.15 178.57 1up4 h ARG 303 N 0.84 0.35 0.00 2.37 2.43 -0.82 -2.03 114.38 117.52 1up4 h ARG 303 Ca 0.22 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.27 1up4 h ARG 303 Cb 0.06 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 1up4 h ARG 303 CO -0.03 0.23 -1.13 -0.44 -1.51 0.00 0.00 179.97 177.09 1up4 h ASP 304 N 0.36 0.00 -0.02 -3.80 3.32 -0.72 -1.76 116.42 113.80 1up4 h ASP 304 Ca 0.43 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.44 1up4 h ASP 304 Cb 0.71 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.25 1up4 h ASP 304 CO -0.46 0.34 -0.07 -0.07 -1.72 0.00 0.00 179.24 177.26 1up4 h LEU 305 N 0.00 0.21 0.08 1.55 4.07 -1.00 -3.29 115.31 116.94 1up4 h LEU 305 Ca -0.08 -0.03 -0.13 0.00 0.08 0.00 0.00 57.88 57.71 1up4 h LEU 305 Cb 1.34 -0.05 0.01 0.00 1.08 0.00 0.00 40.66 43.03 1up4 h LEU 305 CO 0.03 0.32 -0.62 -0.33 -1.08 0.00 0.00 178.44 176.75 1up4 h GLU 306 N 0.22 0.18 -7.44 1.13 4.39 -0.87 0.14 114.58 112.33 1up4 h GLU 306 Ca 0.05 -0.30 -0.48 0.00 0.34 0.00 0.00 59.36 58.97 1up4 h GLU 306 Cb 0.27 0.11 0.08 0.00 -0.10 0.00 0.00 28.75 29.12 1up4 h GLU 306 CO 0.01 1.15 0.35 0.95 -1.16 0.00 0.00 179.01 180.31 1up4 s THR 307 N -2.36 2.82 -0.80 1.13 -4.23 -0.71 -4.68 115.64 106.82 1up4 s THR 307 Ca -0.17 0.13 0.17 0.00 -1.18 0.00 0.00 61.69 60.64 1up4 s THR 307 Cb 0.00 -3.24 0.74 0.00 1.34 0.00 0.00 72.50 71.35 1up4 s THR 307 CO 0.77 -0.29 1.66 -0.67 -0.54 0.00 0.00 174.62 175.54 1up4 n ASP 308 N -3.03 5.04 0.22 3.99 2.03 -1.26 -1.80 116.55 121.74 1up4 n ASP 308 Ca 0.07 -2.63 -0.15 0.00 0.52 0.00 0.00 54.79 52.60 1up4 n ASP 308 Cb 0.59 -0.61 -0.08 0.00 -0.72 0.00 0.00 41.12 40.30 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 3.94 -0.53 -1.12 -0.67 4.81 -1.90 -3.46 114.58 115.65 1up4 h GLU 309 Ca 0.00 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1up4 h GLU 309 Cb 1.62 0.12 0.00 0.00 0.63 0.00 0.00 28.75 31.12 1up4 h GLU 309 CO 0.32 -0.35 0.00 0.41 -0.73 0.00 0.00 179.01 178.65 1up4 n GLY 310 N -1.34 -0.96 3.10 1.92 0.00 -1.24 -5.07 105.19 101.60 1up4 n GLY 310 Ca -0.10 -0.69 -0.11 0.00 0.00 0.00 0.00 46.02 45.12 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 -0.59 0.65 -0.14 1.61 -0.14 -0.40 -4.89 119.74 115.82 1up4 s LYS 311 Ca 0.00 -1.03 -0.19 0.00 -1.36 0.00 0.00 55.97 53.39 1up4 s LYS 311 Cb 0.00 -0.18 -0.04 0.00 -1.68 0.00 0.00 37.83 35.94 1up4 s LYS 311 CO 0.00 -0.00 0.53 0.42 -0.76 0.00 0.00 175.35 175.54 1up4 s ILE 312 N -2.56 5.13 -0.03 2.17 -1.09 -1.26 -0.23 121.20 123.34 1up4 s ILE 312 Ca 0.00 1.04 0.03 0.00 -2.23 0.00 0.00 60.65 59.49 1up4 s ILE 312 Cb -0.02 -3.87 0.00 0.00 -1.58 0.00 0.00 42.46 37.00 1up4 s ILE 312 CO -0.03 0.26 -0.10 -1.00 -1.23 0.00 0.00 174.94 172.84 1up4 s HIS 313 N 1.03 1.03 -0.32 3.97 3.76 -0.51 -4.92 115.29 119.34 1up4 s HIS 313 Ca 0.27 -0.26 -0.26 0.00 -0.15 0.00 0.00 55.06 54.66 1up4 s HIS 313 Cb -0.16 -0.73 0.01 0.00 1.11 0.00 0.00 32.58 32.81 1up4 s HIS 313 CO 0.11 -0.10 0.91 0.42 -0.85 0.00 0.00 174.74 175.23 1up4 s ILE 314 N 0.16 4.67 0.16 0.60 1.01 -1.26 -0.29 121.20 126.26 1up4 s ILE 314 Ca -0.03 1.40 -0.04 0.00 0.00 0.00 0.00 60.65 61.99 1up4 s ILE 314 Cb -0.09 -4.27 -0.03 0.00 0.01 0.00 0.00 42.46 38.08 1up4 s ILE 314 CO 0.01 -0.36 0.16 0.68 0.00 0.00 0.00 174.94 175.42 1up4 s VAL 315 N 3.26 0.06 -0.26 2.92 -7.23 -0.44 -4.85 120.40 113.87 1up4 s VAL 315 Ca 0.38 -1.78 -0.16 0.00 -1.81 0.00 0.00 61.98 58.60 1up4 s VAL 315 Cb -0.13 -2.13 -0.03 0.00 0.56 0.00 0.00 36.38 34.64 1up4 s VAL 315 CO 0.14 -0.27 0.44 0.20 -0.31 0.00 0.00 175.10 175.30 1up4 s ASN 316 N -3.06 6.36 0.23 4.85 0.01 0.64 -1.35 114.94 122.61 1up4 s ASN 316 Ca 0.26 0.42 -0.22 0.00 -0.71 0.00 0.00 52.86 52.61 1up4 s ASN 316 Cb 0.06 -2.25 0.05 0.00 0.41 0.00 0.00 41.25 39.52 1up4 s ASN 316 CO 0.05 -0.22 0.86 0.28 -1.51 0.00 0.00 177.10 176.55 1up4 s THR 317 N 2.09 0.00 0.30 1.60 -1.32 0.00 -2.66 115.64 115.66 1up4 s THR 317 Ca 0.18 -0.82 -0.29 0.00 -1.21 0.00 0.00 61.69 59.55 1up4 s THR 317 Cb -0.16 -2.14 -0.10 0.00 -1.51 0.00 0.00 72.50 68.59 1up4 s THR 317 CO 0.09 0.00 1.42 -0.13 -2.21 0.00 0.00 174.62 173.79 1up4 s ARG 318 N -3.38 4.26 0.19 7.08 0.52 -1.26 -0.01 118.95 126.34 1up4 s ARG 318 Ca 0.13 2.34 -0.22 0.00 -0.52 0.00 0.00 55.73 57.46 1up4 s ARG 318 Cb -0.04 -3.07 0.11 0.00 0.52 0.00 0.00 34.95 32.48 1up4 s ARG 318 CO 0.05 -0.39 1.58 -0.97 0.02 0.00 0.00 175.30 175.59 1up4 h ASN 319 N 4.20 -1.30 -6.83 0.23 -1.24 -0.42 -3.45 115.58 106.76 1up4 h ASN 319 Ca -0.48 0.24 -0.49 0.00 0.71 0.00 0.00 56.30 56.28 1up4 h ASN 319 Cb 1.22 0.63 -0.11 0.00 0.73 0.00 0.00 38.32 40.80 1up4 h ASN 319 CO 0.72 -0.31 -0.79 0.59 -1.29 0.00 0.00 177.43 176.35 1up4 n ASN 320 N -5.43 -0.78 0.00 1.15 5.03 -0.12 -1.20 115.26 113.91 1up4 n ASN 320 Ca 0.04 -1.04 0.00 0.00 0.87 0.00 0.00 54.58 54.45 1up4 n ASN 320 Cb 0.36 -1.27 0.00 0.00 -1.02 0.00 0.00 39.78 37.85 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 -2.12 1.25 0.18 7.41 0.00 -1.26 -4.89 105.19 105.75 1up4 n GLY 321 Ca -0.20 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.43 -3.70 1.61 0.87 -1.32 -3.35 113.55 107.23 1up4 h SER 322 Ca 0.00 0.11 -0.69 0.00 -1.23 0.00 0.00 61.79 59.98 1up4 h SER 322 Cb 0.00 0.24 -0.31 0.00 -0.44 0.00 0.00 62.40 61.89 1up4 h SER 322 CO 0.00 -0.16 -0.67 -0.63 -0.53 0.00 0.00 176.83 174.84 1up4 s ILE 323 N -6.18 3.34 -0.51 2.23 -1.09 -1.26 -0.79 121.20 116.93 1up4 s ILE 323 Ca -0.14 -1.21 0.22 0.00 -2.23 0.00 0.00 60.65 57.29 1up4 s ILE 323 Cb 0.12 -2.87 0.23 0.00 -1.58 0.00 0.00 42.46 38.36 1up4 s ILE 323 CO 0.69 -0.09 1.68 -1.84 -1.23 0.00 0.00 174.94 174.15 1up4 n GLU 324 N 4.71 0.17 0.00 2.79 0.28 -0.54 -1.96 120.64 126.10 1up4 n GLU 324 Ca -0.13 0.42 0.14 0.00 -0.16 0.00 0.00 57.16 57.43 1up4 n GLU 324 Cb 0.44 -1.84 0.62 0.00 1.43 0.00 0.00 31.44 32.10 1up4 n GLU 324 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1up4 n ASN 325 N -2.16 0.00 -4.29 -1.84 3.02 -1.26 -4.88 115.26 103.85 1up4 n ASN 325 Ca 0.02 0.48 -0.22 0.00 -0.03 0.00 0.00 54.58 54.82 1up4 n ASN 325 Cb 0.21 -0.49 -0.12 0.00 -0.61 0.00 0.00 39.78 38.76 1up4 n ASN 325 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1up4 s LEU 326 N -2.98 2.35 0.59 3.41 1.02 -0.83 -4.98 118.68 117.26 1up4 s LEU 326 Ca 0.15 -0.74 -0.20 0.00 0.02 0.00 0.00 54.13 53.35 1up4 s LEU 326 Cb 0.19 -0.82 -0.03 0.00 0.02 0.00 0.00 46.19 45.55 1up4 s LEU 326 CO 0.53 0.01 1.33 -2.65 0.02 0.00 0.00 176.35 175.58 1up4 n PRO 327 N 0.82 1.43 0.14 1.29 -0.02 -1.26 -4.84 135.00 132.56 1up4 n PRO 327 Ca -0.17 0.54 0.14 0.00 -2.02 0.00 0.00 63.50 61.99 1up4 n PRO 327 Cb 0.55 -2.55 0.69 0.00 -0.02 0.00 0.00 33.50 32.16 1up4 n PRO 327 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1up4 h ASP 328 N 1.02 0.00 0.02 2.55 3.32 -1.96 -3.07 116.42 118.30 1up4 h ASP 328 Ca -0.51 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.54 1up4 h ASP 328 Cb 1.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.87 1up4 h ASP 328 CO 0.55 0.00 -0.32 -0.90 -1.72 0.00 0.00 179.24 176.85 1up4 n ASP 329 N -4.37 2.05 -4.67 6.45 5.75 -1.26 -0.95 116.55 119.54 1up4 n ASP 329 Ca 0.03 -1.52 -0.47 0.00 -0.01 0.00 0.00 54.79 52.82 1up4 n ASP 329 Cb 0.34 0.30 -0.04 0.00 -1.03 0.00 0.00 41.12 40.69 1up4 n ASP 329 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 1up4 n TYR 330 N 0.17 2.24 -2.51 2.11 4.02 -1.16 -4.71 117.16 117.32 1up4 n TYR 330 Ca 0.11 0.23 -0.43 0.00 -0.01 0.00 0.00 57.90 57.80 1up4 n TYR 330 Cb 0.47 -2.56 -0.02 0.00 -0.02 0.00 0.00 39.34 37.21 1up4 n TYR 330 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1up4 s VAL 331 N 1.66 4.41 0.29 -0.72 1.01 -1.26 -0.31 120.40 125.48 1up4 s VAL 331 Ca 0.83 1.71 0.09 0.00 0.00 0.00 0.00 61.98 64.61 1up4 s VAL 331 Cb -0.70 -4.10 -0.06 0.00 0.00 0.00 0.00 36.38 31.52 1up4 s VAL 331 CO 0.42 -0.09 -0.13 -0.76 0.00 0.00 0.00 175.10 174.55 1up4 s LEU 332 N 2.87 2.61 -0.41 3.92 1.43 0.99 -4.84 118.68 125.24 1up4 s LEU 332 Ca 0.52 -1.12 -0.17 0.00 -1.03 0.00 0.00 54.13 52.33 1up4 s LEU 332 Cb -0.21 -0.90 0.02 0.00 0.03 0.00 0.00 46.19 45.13 1up4 s LEU 332 CO 0.16 -0.16 0.44 -0.70 0.23 0.00 0.00 176.35 176.32 1up4 s GLU 333 N -3.61 3.17 0.05 1.70 2.12 0.55 -0.82 118.70 121.87 1up4 s GLU 333 Ca 0.30 -0.68 -0.11 0.00 0.36 0.00 0.00 54.97 54.83 1up4 s GLU 333 Cb -0.00 -3.94 0.01 0.00 0.26 0.00 0.00 34.13 30.46 1up4 s GLU 333 CO 0.14 -0.82 0.23 0.96 -0.54 0.00 0.00 175.26 175.23 1up4 s ILE 334 N 2.16 0.10 0.15 -3.70 -4.36 -0.46 -3.43 121.20 111.67 1up4 s ILE 334 Ca 0.13 -0.86 -0.30 0.00 -0.26 0.00 0.00 60.65 59.35 1up4 s ILE 334 Cb -0.17 -0.99 -0.08 0.00 1.25 0.00 0.00 42.46 42.47 1up4 s ILE 334 CO 0.14 -0.48 1.30 -2.16 0.24 0.00 0.00 174.94 173.98 1up4 s PRO 335 N -2.80 4.39 0.14 0.37 0.04 -1.26 -1.32 135.00 134.56 1up4 s PRO 335 Ca -0.03 1.98 0.07 0.00 0.04 0.00 0.00 61.00 63.06 1up4 s PRO 335 Cb 0.00 -3.25 -0.04 0.00 0.04 0.00 0.00 34.50 31.26 1up4 s PRO 335 CO -0.05 -0.29 -0.16 0.00 0.04 0.00 0.00 177.00 176.54 1up4 s TYR 337 N -2.04 3.29 -0.11 0.00 5.04 0.12 -1.43 117.35 122.22 1up4 s TYR 337 Ca 0.12 0.94 0.03 0.00 -2.44 0.00 0.00 57.07 55.72 1up4 s TYR 337 Cb -0.06 -2.94 -0.01 0.00 0.35 0.00 0.00 41.96 39.31 1up4 s TYR 337 CO 0.05 -0.37 -0.20 0.08 -1.34 0.00 0.00 175.55 173.77 1up4 s VAL 338 N 2.66 2.46 -0.29 3.14 1.01 0.69 -0.17 120.40 129.90 1up4 s VAL 338 Ca 0.30 -0.88 -0.16 0.00 0.00 0.00 0.00 61.98 61.24 1up4 s VAL 338 Cb -0.15 -1.98 0.16 0.00 0.00 0.00 0.00 36.38 34.40 1up4 s VAL 338 CO 0.08 0.55 1.02 -0.60 0.00 0.00 0.00 175.10 176.15 1up4 s ARG 339 N 0.27 0.33 -1.29 2.72 3.52 -0.72 -1.28 118.95 122.50 1up4 s ARG 339 Ca -0.14 0.57 -0.22 0.00 -0.13 0.00 0.00 55.73 55.81 1up4 s ARG 339 Cb -0.17 0.07 0.02 0.00 -1.56 0.00 0.00 34.95 33.31 1up4 s ARG 339 CO 0.07 -0.07 0.54 0.43 -0.81 0.00 0.00 175.30 175.46 1up4 n SER 340 N 3.62 -2.95 0.00 -2.12 7.64 -0.74 -1.03 113.62 118.03 1up4 n SER 340 Ca -0.18 -1.22 0.00 0.00 1.01 0.00 0.00 58.87 58.47 1up4 n SER 340 Cb 0.57 -2.07 0.00 0.00 -1.01 0.00 0.00 64.21 61.70 1up4 n SER 340 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1up4 n GLY 341 N -2.12 2.15 3.59 0.23 0.00 0.49 -4.98 105.19 104.56 1up4 n GLY 341 Ca -0.17 0.00 -0.28 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 -0.00 2.14 -0.23 1.61 0.52 -0.20 -5.08 118.95 117.72 1up4 s ARG 342 Ca 0.00 -1.16 0.01 0.00 -0.52 0.00 0.00 55.73 54.07 1up4 s ARG 342 Cb 0.00 -2.25 0.05 0.00 0.52 0.00 0.00 34.95 33.28 1up4 s ARG 342 CO 0.00 0.46 -0.09 0.08 0.02 0.00 0.00 175.30 175.77 1up4 s VAL 343 N -1.54 1.77 -0.15 3.52 1.01 -1.26 -1.76 120.40 121.99 1up4 s VAL 343 Ca 0.24 -1.25 -0.06 0.00 0.00 0.00 0.00 61.98 60.92 1up4 s VAL 343 Cb -0.10 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 1up4 s VAL 343 CO 0.15 0.04 0.04 -1.00 0.00 0.00 0.00 175.10 174.34 1up4 s HIS 344 N 1.31 3.22 0.50 5.22 3.76 0.76 -4.93 115.29 125.13 1up4 s HIS 344 Ca -0.05 0.07 -0.16 0.00 -0.15 0.00 0.00 55.06 54.77 1up4 s HIS 344 Cb -0.18 -1.99 -0.08 0.00 1.11 0.00 0.00 32.58 31.44 1up4 s HIS 344 CO -0.07 0.23 0.95 0.95 -0.85 0.00 0.00 174.74 175.95 1up4 s THR 345 N 0.02 4.56 -0.02 1.30 -4.23 -1.26 0.13 115.64 116.14 1up4 s THR 345 Ca 0.05 1.15 0.01 0.00 -1.18 0.00 0.00 61.69 61.72 1up4 s THR 345 Cb -0.12 -3.72 -0.03 0.00 1.34 0.00 0.00 72.50 69.97 1up4 s THR 345 CO 0.01 -0.65 -0.02 -0.76 -0.54 0.00 0.00 174.62 172.66 1up4 s LEU 346 N -4.00 3.42 0.23 4.79 2.01 -1.25 -4.84 118.68 119.04 1up4 s LEU 346 Ca 0.58 -0.02 -0.31 0.00 0.01 0.00 0.00 54.13 54.39 1up4 s LEU 346 Cb -0.10 -1.92 -0.14 0.00 0.01 0.00 0.00 46.19 44.05 1up4 s LEU 346 CO 0.30 0.30 1.35 -1.20 1.01 0.00 0.00 176.35 178.12 1up4 n SER 347 N 1.60 2.47 0.00 2.29 7.64 -1.26 -4.20 113.62 122.16 1up4 n SER 347 Ca -0.16 1.15 0.00 0.00 1.01 0.00 0.00 58.87 60.87 1up4 n SER 347 Cb 0.53 -1.39 0.00 0.00 -1.01 0.00 0.00 64.21 62.34 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 1.89 3.53 0.00 1.43 6.02 0.03 -5.02 117.38 125.26 1up4 n GLN 348 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.11 1up4 n GLN 348 Cb 0.30 -0.47 0.00 0.00 1.02 0.00 0.00 30.24 31.09 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 0.90 0.24 3.86 1.08 0.00 -1.22 -4.95 105.19 105.10 1up4 n GLY 349 Ca 0.00 -1.42 -0.35 0.00 0.00 0.00 0.00 46.02 44.25 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 3.80 0.29 1.61 1.02 -1.26 -1.46 119.74 123.73 1up4 s LYS 350 Ca 0.00 0.23 -0.11 0.00 0.02 0.00 0.00 55.97 56.11 1up4 s LYS 350 Cb 0.00 -3.00 -0.08 0.00 -0.52 0.00 0.00 37.83 34.24 1up4 s LYS 350 CO 0.00 0.56 0.64 0.20 -0.92 0.00 0.00 175.35 175.82 1up4 s GLY 351 N -1.72 2.22 0.30 -3.33 0.00 -1.26 -4.97 107.32 98.56 1up4 s GLY 351 Ca 0.33 -0.18 -0.29 0.00 0.00 0.00 0.00 44.72 44.58 1up4 s GLY 351 CO 0.18 -0.02 1.26 -0.35 0.00 0.00 0.00 173.10 174.17 1up4 s ASP 352 N -2.49 6.92 0.34 1.64 -1.08 -1.26 -4.88 116.67 115.85 1up4 s ASP 352 Ca 0.50 2.54 0.10 0.00 -0.52 0.00 0.00 52.55 55.17 1up4 s ASP 352 Cb -0.11 -2.64 0.88 0.00 -1.46 0.00 0.00 42.92 39.60 1up4 s ASP 352 CO 0.22 -0.43 1.77 0.45 0.52 0.00 0.00 175.17 177.70 1up4 h HIS 353 N 3.83 0.92 -0.20 -5.34 3.86 -1.99 -0.53 115.15 115.70 1up4 h HIS 353 Ca -0.48 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 58.74 1up4 h HIS 353 Cb 1.22 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 29.41 1up4 h HIS 353 CO 0.58 0.15 0.04 0.35 0.86 0.00 0.00 177.93 179.91 1up4 h PHE 354 N 0.61 0.35 -0.42 2.45 3.04 -1.98 -1.84 116.94 119.15 1up4 h PHE 354 Ca 0.59 -0.05 -0.01 0.00 3.98 0.00 0.00 57.97 62.48 1up4 h PHE 354 Cb 1.12 -0.10 -0.02 0.00 2.56 0.00 0.00 35.95 39.52 1up4 h PHE 354 CO -0.00 0.47 0.24 0.00 -2.02 0.00 0.00 178.31 176.99 1up4 h ALA 355 N 0.84 0.54 -0.95 2.41 0.00 -1.69 -2.93 119.26 117.48 1up4 h ALA 355 Ca 0.06 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1up4 h ALA 355 Cb 0.30 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 1up4 h ALA 355 CO 0.00 0.05 0.63 -0.07 0.00 0.00 0.00 179.25 179.86 1up4 h LEU 356 N 0.55 1.05 -0.64 0.00 4.07 -0.97 -0.59 115.31 118.78 1up4 h LEU 356 Ca 0.15 -0.01 0.06 0.00 0.08 0.00 0.00 57.88 58.16 1up4 h LEU 356 Cb 0.04 -0.25 -0.06 0.00 1.08 0.00 0.00 40.66 41.48 1up4 h LEU 356 CO -0.03 0.73 0.34 0.77 -1.08 0.00 0.00 178.44 179.17 1up4 h SER 357 N 1.22 0.49 -0.08 -0.43 4.64 -1.14 0.14 113.55 118.39 1up4 h SER 357 Ca 0.37 0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.71 1up4 h SER 357 Cb -0.03 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.00 1up4 h SER 357 CO -0.11 0.31 0.00 -0.26 -0.87 0.00 0.00 176.83 175.91 1up4 h PHE 358 N 0.63 0.15 -0.20 4.77 0.04 -1.39 -2.44 116.94 118.49 1up4 h PHE 358 Ca 0.29 -0.02 0.03 0.00 2.80 0.00 0.00 57.97 61.06 1up4 h PHE 358 Cb 0.21 -0.04 -0.03 0.00 2.20 0.00 0.00 35.95 38.29 1up4 h PHE 358 CO -0.09 0.39 0.02 0.82 -0.60 0.00 0.00 178.31 178.85 1up4 h ILE 359 N -0.14 0.89 -0.09 -0.55 2.04 -0.45 -1.93 117.51 117.29 1up4 h ILE 359 Ca 0.02 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.85 1up4 h ILE 359 Cb 0.33 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 1up4 h ILE 359 CO 0.00 0.02 0.05 0.45 0.00 0.00 0.00 178.15 178.67 1up4 h HIS 360 N 0.09 0.09 -0.05 1.37 3.86 -0.83 -1.03 115.15 118.65 1up4 h HIS 360 Ca 0.09 0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.33 1up4 h HIS 360 Cb 0.10 -0.03 -0.03 0.00 1.06 0.00 0.00 27.41 28.51 1up4 h HIS 360 CO -0.16 0.06 -0.12 0.00 0.86 0.00 0.00 177.93 178.57 1up4 h ALA 361 N 1.04 -0.09 0.00 2.45 0.00 -1.05 -2.96 119.26 118.65 1up4 h ALA 361 Ca 0.03 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1up4 h ALA 361 Cb -0.00 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1up4 h ALA 361 CO -0.02 -0.59 -0.38 -0.24 0.00 0.00 0.00 179.25 178.02 1up4 h VAL 362 N -0.17 0.39 0.00 0.00 3.04 -1.34 -2.65 116.25 115.52 1up4 h VAL 362 Ca 0.06 -1.57 0.00 0.00 -1.01 0.00 0.00 66.70 64.18 1up4 h VAL 362 Cb 0.25 2.14 0.00 0.00 -2.01 0.00 0.00 31.29 31.67 1up4 h VAL 362 CO -0.15 0.22 0.00 1.17 -1.01 0.00 0.00 177.57 177.80 1up4 n LYS 363 N -3.10 0.08 0.00 4.17 3.00 -0.40 0.19 118.16 122.10 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 0.64 -1.31 0.00 0.00 0.00 0.00 0.00 35.03 34.35 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 0.78 0.00 0.04 5.64 9.36 -1.00 -1.72 117.16 130.27 1up4 n TYR 365 Ca 0.00 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.10 1up4 n TYR 365 Cb 0.03 0.00 -0.06 0.00 -0.63 0.00 0.00 39.34 38.68 1up4 n TYR 365 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 1up4 h GLU 366 N 0.00 -0.03 -0.20 2.98 5.08 -0.55 -0.52 114.58 121.33 1up4 h GLU 366 Ca 0.00 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.20 1up4 h GLU 366 Cb 0.00 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1up4 h GLU 366 CO 0.00 -0.02 -0.55 0.00 -1.00 0.00 0.00 179.01 177.44 1up4 h ARG 367 N -0.04 0.62 -0.66 2.33 2.47 -1.59 -2.02 114.38 115.49 1up4 h ARG 367 Ca 0.01 -0.39 0.11 0.00 -1.26 0.00 0.00 59.98 58.44 1up4 h ARG 367 Cb 0.05 0.05 -0.08 0.00 -1.65 0.00 0.00 29.97 28.34 1up4 h ARG 367 CO -0.03 1.01 0.26 -0.07 0.56 0.00 0.00 179.97 181.70 1up4 h LEU 368 N 0.47 0.26 -0.35 3.04 3.38 -1.77 0.18 115.31 120.52 1up4 h LEU 368 Ca 0.01 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1up4 h LEU 368 Cb 1.11 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 1up4 h LEU 368 CO 0.11 0.14 0.17 0.74 0.09 0.00 0.00 178.44 179.69 1up4 h THR 369 N 0.44 1.16 -0.01 0.22 2.02 -0.71 -1.79 112.91 114.24 1up4 h THR 369 Ca 0.34 -0.47 0.00 0.00 0.77 0.00 0.00 66.41 67.05 1up4 h THR 369 Cb 0.44 0.82 -0.00 0.00 -1.74 0.00 0.00 68.15 67.67 1up4 h THR 369 CO -0.33 0.17 0.01 0.40 0.37 0.00 0.00 175.52 176.14 1up4 h ILE 370 N 0.43 1.02 -0.66 3.11 2.04 -0.90 -1.37 117.51 121.18 1up4 h ILE 370 Ca 0.12 -0.05 0.09 0.00 1.00 0.00 0.00 64.86 66.03 1up4 h ILE 370 Cb 0.12 1.03 -0.07 0.00 -0.74 0.00 0.00 36.82 37.16 1up4 h ILE 370 CO -0.02 0.01 0.29 -0.33 0.00 0.00 0.00 178.15 178.11 1up4 h GLU 371 N -0.01 0.49 -0.29 2.37 5.08 -0.89 0.16 114.58 121.49 1up4 h GLU 371 Ca 0.00 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1up4 h GLU 371 Cb 0.02 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 1up4 h GLU 371 CO -0.00 0.32 0.13 0.00 -1.00 0.00 0.00 179.01 178.46 1up4 h ALA 372 N 1.42 0.35 -0.12 3.43 0.00 -0.92 -2.11 119.26 121.31 1up4 h ALA 372 Ca 0.33 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.25 1up4 h ALA 372 Cb 0.38 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1up4 h ALA 372 CO -0.29 -0.27 0.06 -0.92 0.00 0.00 0.00 179.25 177.83 1up4 h TYR 373 N 0.27 0.18 -0.22 0.00 3.20 -0.32 0.02 116.97 120.10 1up4 h TYR 373 Ca 0.13 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.99 1up4 h TYR 373 Cb 0.07 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.27 1up4 h TYR 373 CO -0.11 0.24 0.15 -0.07 -1.64 0.00 0.00 178.16 176.72 1up4 h LEU 374 N 0.07 0.25 -1.77 2.82 3.38 -0.51 0.70 115.31 120.24 1up4 h LEU 374 Ca 0.04 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1up4 h LEU 374 Cb 0.13 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1up4 h LEU 374 CO -0.00 0.18 -0.04 0.29 0.09 0.00 0.00 178.44 178.96 1up4 n LYS 375 N -4.50 2.18 -3.78 1.13 5.02 -0.81 -4.97 118.16 112.43 1up4 n LYS 375 Ca 0.00 -1.77 -0.25 0.00 -2.02 0.00 0.00 58.31 54.27 1up4 n LYS 375 Cb 0.07 -1.46 0.03 0.00 -0.02 0.00 0.00 35.03 33.65 1up4 n LYS 375 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1up4 n ARG 376 N 1.14 -5.37 -3.98 1.97 0.63 0.24 -4.91 116.66 106.37 1up4 n ARG 376 Ca 0.14 0.63 -0.34 0.00 -0.92 0.00 0.00 57.85 57.35 1up4 n ARG 376 Cb 0.57 -5.36 -0.15 0.00 0.45 0.00 0.00 32.46 27.98 1up4 n ARG 376 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1up4 s SER 377 N -3.88 3.97 0.13 6.15 0.15 -0.23 -0.54 113.70 119.45 1up4 s SER 377 Ca 0.30 -0.55 -0.14 0.00 0.70 0.00 0.00 55.95 56.26 1up4 s SER 377 Cb -0.15 -1.65 -0.00 0.00 -1.71 0.00 0.00 66.02 62.51 1up4 s SER 377 CO 0.81 -0.03 1.61 0.50 1.20 0.00 0.00 173.24 177.34 1up4 h LYS 378 N 8.05 0.73 -0.28 5.44 3.64 -1.84 -1.84 116.57 130.46 1up4 h LYS 378 Ca -0.41 -0.20 0.06 0.00 -1.27 0.00 0.00 60.65 58.83 1up4 h LYS 378 Cb 1.15 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 32.82 1up4 h LYS 378 CO 0.61 0.76 -0.14 0.87 -2.27 0.00 0.00 179.45 179.28 1up4 h LYS 379 N 0.59 -0.10 -0.05 1.90 1.57 -1.95 -1.79 116.57 116.74 1up4 h LYS 379 Ca 0.13 0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.84 1up4 h LYS 379 Cb 0.39 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 1up4 h LYS 379 CO 0.01 -0.07 -0.31 -0.07 -0.57 0.00 0.00 179.45 178.44 1up4 h LEU 380 N -0.10 0.10 -0.77 2.94 3.38 -1.90 -2.56 115.31 116.39 1up4 h LEU 380 Ca 0.15 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.99 1up4 h LEU 380 Cb 0.33 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1up4 h LEU 380 CO -0.35 0.41 -0.14 0.00 0.09 0.00 0.00 178.44 178.45 1up4 h ALA 381 N 1.60 0.95 -0.29 1.53 0.00 -0.62 -0.59 119.26 121.84 1up4 h ALA 381 Ca 0.01 -0.33 0.03 0.00 0.00 0.00 0.00 54.91 54.62 1up4 h ALA 381 Cb 0.60 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1up4 h ALA 381 CO 0.04 0.61 0.09 -0.07 0.00 0.00 0.00 179.25 179.92 1up4 h LEU 382 N 0.70 0.08 -0.64 0.00 4.07 -1.09 0.65 115.31 119.09 1up4 h LEU 382 Ca 0.11 0.03 0.04 0.00 0.08 0.00 0.00 57.88 58.15 1up4 h LEU 382 Cb 0.63 0.03 -0.05 0.00 1.08 0.00 0.00 40.66 42.36 1up4 h LEU 382 CO 0.04 0.08 0.38 0.50 -1.08 0.00 0.00 178.44 178.36 1up4 h LYS 383 N 0.21 0.70 -0.24 1.13 3.64 -1.06 0.58 116.57 121.54 1up4 h LYS 383 Ca 0.13 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.40 1up4 h LYS 383 Cb 0.11 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 1up4 h LYS 383 CO -0.14 0.47 -0.12 0.00 -2.27 0.00 0.00 179.45 177.38 1up4 h ALA 384 N 1.30 0.34 -0.63 5.00 0.00 -0.72 -2.51 119.26 122.04 1up4 h ALA 384 Ca 0.27 -0.31 0.08 0.00 0.00 0.00 0.00 54.91 54.96 1up4 h ALA 384 Cb 0.09 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 17.73 1up4 h ALA 384 CO -0.14 0.20 0.29 1.25 0.00 0.00 0.00 179.25 180.85 1up4 h LEU 385 N 0.22 0.36 -2.07 0.00 5.85 -0.55 -1.47 115.31 117.65 1up4 h LEU 385 Ca 0.05 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 1up4 h LEU 385 Cb 0.63 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.66 1up4 h LEU 385 CO 0.04 0.22 -0.06 -0.07 -0.34 0.00 0.00 178.44 178.22 1up4 h LEU 386 N 0.51 0.00 0.00 2.25 3.38 -0.74 -3.14 115.31 117.57 1up4 h LEU 386 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1up4 h LEU 386 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1up4 h LEU 386 CO -0.26 0.06 -0.41 0.77 0.09 0.00 0.00 178.44 178.69 1up4 h SER 387 N 0.00 0.00 -3.33 -0.43 4.64 -0.82 -3.46 113.55 110.16 1up4 h SER 387 Ca -0.00 -0.07 -0.52 0.00 -0.47 0.00 0.00 61.79 60.72 1up4 h SER 387 Cb 0.30 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.42 1up4 h SER 387 CO 0.01 0.04 0.65 -2.28 -0.87 0.00 0.00 176.83 174.37 1up4 s HIS 388 N -3.20 3.28 0.59 4.77 5.65 -1.18 -4.77 115.29 120.43 1up4 s HIS 388 Ca 0.06 1.20 0.29 0.00 0.25 0.00 0.00 55.06 56.86 1up4 s HIS 388 Cb 0.10 -3.59 1.54 0.00 -1.18 0.00 0.00 32.58 29.46 1up4 s HIS 388 CO 0.69 -1.86 1.96 -1.35 -0.65 0.00 0.00 174.74 173.53 1up4 h PRO 389 N 5.65 0.00 -0.32 2.88 0.11 -1.90 0.45 132.00 138.87 1up4 h PRO 389 Ca -0.44 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.64 1up4 h PRO 389 Cb 1.21 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 1up4 h PRO 389 CO 0.79 0.00 0.01 1.28 -0.21 0.00 0.00 178.00 179.87 1up4 n LEU 390 N -3.69 4.20 0.00 2.35 4.77 -1.26 -5.03 117.00 118.34 1up4 n LEU 390 Ca 0.06 -3.08 -0.21 0.00 -0.03 0.00 0.00 56.01 52.74 1up4 n LEU 390 Cb 0.54 -0.58 0.14 0.00 -2.33 0.00 0.00 43.42 41.19 1up4 n LEU 390 CO 0.27 0.72 0.60 0.61 -1.33 0.00 0.00 177.39 178.26 1up4 n GLY 391 N -0.44 -0.67 3.79 -0.72 0.00 0.15 -4.53 105.19 102.77 1up4 n GLY 391 Ca 0.24 -1.81 -0.34 0.00 0.00 0.00 0.00 46.02 44.10 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 -5.01 3.64 0.71 1.61 0.04 -1.26 -5.01 135.00 129.72 1up4 s PRO 392 Ca 0.57 1.47 -0.14 0.00 0.04 0.00 0.00 61.00 62.93 1up4 s PRO 392 Cb -0.02 -2.07 0.03 0.00 0.04 0.00 0.00 34.50 32.48 1up4 s PRO 392 CO 0.39 -0.59 1.15 -0.51 0.04 0.00 0.00 177.00 177.48 1up4 s ASP 393 N -1.88 4.56 0.32 6.66 1.11 -1.26 -4.68 116.67 121.50 1up4 s ASP 393 Ca 0.69 2.15 0.11 0.00 0.18 0.00 0.00 52.55 55.67 1up4 s ASP 393 Cb -0.19 -2.57 0.96 0.00 1.07 0.00 0.00 42.92 42.19 1up4 s ASP 393 CO 0.23 -2.01 1.68 0.58 1.18 0.00 0.00 175.17 176.83 1up4 h VAL 394 N -0.29 0.37 0.00 -1.27 2.07 -1.98 0.15 116.25 115.31 1up4 h VAL 394 Ca -0.47 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 66.92 1up4 h VAL 394 Cb 1.27 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 1up4 h VAL 394 CO 0.51 0.07 0.00 1.05 0.02 0.00 0.00 177.57 179.22 1up4 h GLU 395 N 0.38 0.00 0.00 1.57 4.11 -2.04 -3.07 114.58 115.52 1up4 h GLU 395 Ca 0.67 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.10 1up4 h GLU 395 Cb 1.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.69 1up4 h GLU 395 CO -0.58 0.00 -1.15 -0.25 0.07 0.00 0.00 179.01 177.10 1up4 n ASP 396 N -3.04 1.82 -0.15 3.06 8.00 -0.02 -4.76 116.55 121.46 1up4 n ASP 396 Ca -0.01 -0.26 -0.07 0.00 0.71 0.00 0.00 54.79 55.16 1up4 n ASP 396 Cb 0.18 1.33 0.01 0.00 -0.02 0.00 0.00 41.12 42.62 1up4 n ASP 396 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1up4 h ALA 397 N 1.17 0.58 -0.12 2.24 0.00 -1.29 -0.96 119.26 120.87 1up4 h ALA 397 Ca 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1up4 h ALA 397 Cb 0.41 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1up4 h ALA 397 CO 0.00 0.02 0.01 -0.22 0.00 0.00 0.00 179.25 179.06 1up4 h LYS 398 N 0.61 0.21 -0.69 0.00 3.64 -1.86 -1.38 116.57 117.11 1up4 h LYS 398 Ca 0.17 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.44 1up4 h LYS 398 Cb -0.06 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.71 1up4 h LYS 398 CO -0.04 0.44 0.24 -0.44 -2.27 0.00 0.00 179.45 177.37 1up4 h ASP 399 N -0.04 0.98 -0.14 4.20 3.32 -1.86 -2.01 116.42 120.87 1up4 h ASP 399 Ca 0.04 -0.19 -0.00 0.00 0.02 0.00 0.00 57.03 56.89 1up4 h ASP 399 Cb 0.34 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 1up4 h ASP 399 CO 0.00 0.91 0.08 0.25 -1.72 0.00 0.00 179.24 178.76 1up4 h LEU 400 N 0.99 0.17 -0.66 1.55 5.85 -1.06 -2.00 115.31 120.15 1up4 h LEU 400 Ca 0.22 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 1up4 h LEU 400 Cb 0.26 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 1up4 h LEU 400 CO -0.01 0.20 0.36 0.25 -0.34 0.00 0.00 178.44 178.89 1up4 h LEU 401 N 0.13 0.82 -0.93 2.25 5.85 -1.14 -0.94 115.31 121.36 1up4 h LEU 401 Ca 0.05 -0.10 0.07 0.00 0.84 0.00 0.00 57.88 58.74 1up4 h LEU 401 Cb 0.06 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 40.82 1up4 h LEU 401 CO -0.01 0.69 0.58 -0.08 -0.34 0.00 0.00 178.44 179.28 1up4 h GLU 402 N 0.90 1.01 -0.29 1.25 4.57 -1.25 -0.57 114.58 120.20 1up4 h GLU 402 Ca 0.23 -0.06 -0.06 0.00 -1.18 0.00 0.00 59.36 58.29 1up4 h GLU 402 Cb 0.05 -0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 28.40 1up4 h GLU 402 CO -0.04 0.67 -0.06 1.49 -1.18 0.00 0.00 179.01 179.89 1up4 h GLU 403 N 1.04 0.56 -0.26 1.92 4.81 -0.73 -2.07 114.58 119.85 1up4 h GLU 403 Ca 0.41 -0.21 0.02 0.00 -0.13 0.00 0.00 59.36 59.45 1up4 h GLU 403 Cb 0.21 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 1up4 h GLU 403 CO -0.19 0.75 0.12 0.82 -0.73 0.00 0.00 179.01 179.78 1up4 h ILE 404 N 0.32 0.97 -0.28 2.32 2.04 -0.63 -1.74 117.51 120.51 1up4 h ILE 404 Ca 0.07 -0.09 -0.10 0.00 1.00 0.00 0.00 64.86 65.75 1up4 h ILE 404 Cb 0.54 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 1up4 h ILE 404 CO 0.03 0.05 -0.25 -0.07 0.00 0.00 0.00 178.15 177.90 1up4 h LEU 405 N 0.25 0.56 -0.10 1.44 3.38 -1.12 -1.16 115.31 118.56 1up4 h LEU 405 Ca 0.11 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1up4 h LEU 405 Cb 0.05 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 1up4 h LEU 405 CO -0.09 0.80 0.01 -0.08 0.09 0.00 0.00 178.44 179.16 1up4 h GLU 406 N 0.49 0.17 -0.81 1.13 4.81 -1.22 -1.93 114.58 117.21 1up4 h GLU 406 Ca 0.07 -0.05 0.10 0.00 -0.13 0.00 0.00 59.36 59.34 1up4 h GLU 406 Cb 0.69 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 30.00 1up4 h GLU 406 CO 0.05 0.41 0.53 0.00 -0.73 0.00 0.00 179.01 179.27 1up4 h ALA 407 N 0.75 1.74 -0.53 2.92 0.00 -1.11 -2.74 119.26 120.30 1up4 h ALA 407 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1up4 h ALA 407 Cb 0.33 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1up4 h ALA 407 CO 0.00 0.09 0.00 0.09 0.00 0.00 0.00 179.25 179.44 1up4 n ASN 408 N -4.51 5.35 -0.32 0.00 3.02 -0.46 -4.69 115.26 113.65 1up4 n ASN 408 Ca 0.14 -2.91 0.17 0.00 -0.03 0.00 0.00 54.58 51.95 1up4 n ASN 408 Cb 0.32 -0.65 0.35 0.00 -0.61 0.00 0.00 39.78 39.19 1up4 n ASN 408 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 1up4 h ARG 409 N 3.62 0.14 0.00 3.52 3.08 -1.03 0.17 114.38 123.89 1up4 h ARG 409 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1up4 h ARG 409 Cb 1.85 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.87 1up4 h ARG 409 CO 0.43 0.09 0.00 0.39 -1.07 0.00 0.00 179.97 179.81 1up4 n GLU 410 N -5.28 0.09 -0.01 0.04 4.71 -1.26 -3.87 120.64 115.07 1up4 n GLU 410 Ca 0.25 0.29 -0.00 0.00 -0.01 0.00 0.00 57.16 57.69 1up4 n GLU 410 Cb 0.82 -1.66 -0.02 0.00 -1.01 0.00 0.00 31.44 29.57 1up4 n GLU 410 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1up4 n TYR 411 N -1.84 0.00 -3.73 -0.32 4.01 0.52 -5.05 117.16 110.75 1up4 n TYR 411 Ca 0.03 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.65 1up4 n TYR 411 Cb 0.23 -0.09 -0.11 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 -2.10 -0.01 -0.15 -0.72 0.11 -0.74 -4.86 120.40 111.92 1up4 s VAL 412 Ca -0.01 0.05 -0.00 0.00 -2.93 0.00 0.00 61.98 59.09 1up4 s VAL 412 Cb 0.01 -0.53 0.04 0.00 -1.53 0.00 0.00 36.38 34.36 1up4 s VAL 412 CO 0.09 0.02 -0.07 -0.75 -3.33 0.00 0.00 175.10 171.07 1up4 s LYS 413 N 0.74 1.54 -0.09 1.54 2.20 -1.26 -4.41 119.74 120.00 1up4 s LYS 413 Ca -0.04 -0.46 0.02 0.00 -0.36 0.00 0.00 55.97 55.12 1up4 s LYS 413 Cb -0.06 -1.92 -0.02 0.00 -1.51 0.00 0.00 37.83 34.33 1up4 s LYS 413 CO -0.05 -0.38 -0.13 -0.51 -0.36 0.00 0.00 175.35 173.92 1up4 s LEU 414 N 1.63 2.74 0.00 5.43 1.02 -1.26 -4.90 118.68 123.34 1up4 s LEU 414 Ca 0.02 -0.26 0.27 0.00 0.02 0.00 0.00 54.13 54.18 1up4 s LEU 414 Cb -0.14 -1.59 0.78 0.00 0.02 0.00 0.00 46.19 45.26 1up4 s LEU 414 CO -0.08 0.25 1.59 0.61 0.02 0.00 0.00 176.35 178.75