#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jmu n ALA 2 N 0.00 2.75 -2.69 -1.46 0.00 -1.26 -3.87 120.51 113.98 2jmu n ALA 2 Ca 0.00 -0.58 -0.34 0.00 0.00 0.00 0.00 53.44 52.52 2jmu n ALA 2 Cb 0.00 -0.95 -0.09 0.00 0.00 0.00 0.00 19.45 18.41 2jmu n ALA 2 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2jmu s GLN 3 N -2.14 2.93 0.78 0.00 -0.21 -1.26 -4.64 119.66 115.13 2jmu s GLN 3 Ca 0.29 -0.47 0.00 0.00 0.02 0.00 0.00 55.36 55.20 2jmu s GLN 3 Cb 0.20 -2.76 0.00 0.00 1.00 0.00 0.00 33.01 31.44 2jmu s GLN 3 CO 0.38 0.68 0.00 0.41 -2.12 0.00 0.00 175.29 174.64 2jmu n GLY 4 N 1.84 1.02 3.41 3.09 0.00 -1.26 -4.72 105.19 108.57 2jmu n GLY 4 Ca -0.17 -0.85 -0.38 0.00 0.00 0.00 0.00 46.02 44.62 2jmu n GLY 4 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jmu s LEU 5 N 0.00 3.97 0.11 0.99 1.02 -1.26 -4.38 118.68 119.13 2jmu s LEU 5 Ca 0.00 -0.54 -0.30 0.00 0.02 0.00 0.00 54.13 53.30 2jmu s LEU 5 Cb 0.00 -1.96 -0.07 0.00 0.02 0.00 0.00 46.19 44.18 2jmu s LEU 5 CO 0.00 -0.18 1.22 -0.63 0.02 0.00 0.00 176.35 176.79 2jmu s ILE 6 N 1.58 3.77 -0.13 -0.59 1.09 0.12 -4.47 121.20 122.57 2jmu s ILE 6 Ca 0.04 1.34 -0.29 0.00 -1.10 0.00 0.00 60.65 60.65 2jmu s ILE 6 Cb -0.17 -3.86 -0.01 0.00 -1.06 0.00 0.00 42.46 37.36 2jmu s ILE 6 CO 0.05 0.14 0.99 -1.61 -0.10 0.00 0.00 174.94 174.42 2jmu s GLU 7 N 0.61 4.39 -0.03 2.79 2.02 -1.25 -1.02 118.70 126.21 2jmu s GLU 7 Ca 0.57 1.35 -0.01 0.00 0.02 0.00 0.00 54.97 56.90 2jmu s GLU 7 Cb -0.32 -3.56 0.03 0.00 0.10 0.00 0.00 34.13 30.39 2jmu s GLU 7 CO 0.32 -0.36 0.05 0.54 0.02 0.00 0.00 175.26 175.83 2jmu s VAL 8 N 2.20 -0.06 0.07 2.63 0.11 0.66 -5.00 120.40 121.01 2jmu s VAL 8 Ca 0.47 0.22 0.03 0.00 -2.93 0.00 0.00 61.98 59.76 2jmu s VAL 8 Cb -0.18 -0.11 -0.03 0.00 -1.53 0.00 0.00 36.38 34.53 2jmu s VAL 8 CO 0.16 0.09 -0.09 -1.83 -3.33 0.00 0.00 175.10 170.10 2jmu s GLU 9 N 1.14 0.72 0.18 1.54 -1.05 -1.26 -0.59 118.70 119.38 2jmu s GLU 9 Ca -0.09 -1.02 -0.00 0.00 -0.15 0.00 0.00 54.97 53.71 2jmu s GLU 9 Cb -0.13 -0.40 -0.04 0.00 -0.44 0.00 0.00 34.13 33.12 2jmu s GLU 9 CO -0.04 0.06 0.07 1.03 0.95 0.00 0.00 175.26 177.34 2jmu s ARG 10 N -2.43 1.11 0.02 -4.83 1.81 -0.66 -5.00 118.95 108.97 2jmu s ARG 10 Ca -0.00 -1.56 -0.03 0.00 -1.72 0.00 0.00 55.73 52.42 2jmu s ARG 10 Cb -0.05 0.09 -0.01 0.00 -0.45 0.00 0.00 34.95 34.53 2jmu s ARG 10 CO -0.01 -0.28 0.05 0.21 -0.68 0.00 0.00 175.30 174.59 2jmu s LYS 11 N -4.06 0.43 0.11 3.54 2.20 -1.15 -0.72 119.74 120.10 2jmu s LYS 11 Ca 0.31 -0.60 -0.07 0.00 -0.36 0.00 0.00 55.97 55.24 2jmu s LYS 11 Cb 0.07 0.17 -0.01 0.00 -1.51 0.00 0.00 37.83 36.55 2jmu s LYS 11 CO 0.07 -0.09 0.19 -0.59 -0.36 0.00 0.00 175.35 174.56 2jmu s PHE 12 N -1.76 0.34 -0.41 4.03 -0.71 0.48 0.26 117.98 120.21 2jmu s PHE 12 Ca -0.13 -0.75 -0.05 0.00 -1.04 0.00 0.00 56.93 54.96 2jmu s PHE 12 Cb -0.07 -0.13 0.10 0.00 -1.21 0.00 0.00 43.02 41.71 2jmu s PHE 12 CO -0.01 -0.58 0.22 0.00 -1.34 0.00 0.00 175.22 173.51 2jmu s ALA 13 N -3.92 3.20 0.58 1.99 0.00 0.14 -0.54 121.76 123.21 2jmu s ALA 13 Ca 0.11 -2.38 -0.05 0.00 0.00 0.00 0.00 51.96 49.64 2jmu s ALA 13 Cb 0.05 -2.50 0.02 0.00 0.00 0.00 0.00 23.12 20.68 2jmu s ALA 13 CO -0.06 -1.74 0.88 -1.25 0.00 0.00 0.00 175.76 173.59 2jmu s PRO 14 N 1.26 2.81 0.34 0.00 0.04 -1.26 -1.09 135.00 137.11 2jmu s PRO 14 Ca 0.05 -0.17 -0.04 0.00 0.04 0.00 0.00 61.00 60.89 2jmu s PRO 14 Cb -0.23 -2.31 0.08 0.00 0.04 0.00 0.00 34.50 32.07 2jmu s PRO 14 CO -0.02 -0.72 0.47 0.41 0.04 0.00 0.00 177.00 177.18 2jmu n GLY 15 N -2.54 -0.39 0.11 0.56 0.00 -0.08 -4.79 105.19 98.07 2jmu n GLY 15 Ca 0.05 -1.82 0.13 0.00 0.00 0.00 0.00 46.02 44.37 2jmu n GLY 15 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2jmu n PRO 16 N -1.95 0.22 0.00 1.61 -0.04 -1.26 -3.19 135.00 130.40 2jmu n PRO 16 Ca 0.07 0.29 0.12 0.00 -0.04 0.00 0.00 63.50 63.94 2jmu n PRO 16 Cb 0.23 -1.82 0.18 0.00 -0.04 0.00 0.00 33.50 32.05 2jmu n PRO 16 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2jmu n ASP 17 N -2.22 2.34 -0.13 3.54 8.00 -1.26 -4.50 116.55 122.32 2jmu n ASP 17 Ca 0.04 -1.71 -0.04 0.00 0.71 0.00 0.00 54.79 53.80 2jmu n ASP 17 Cb 0.35 0.12 0.03 0.00 -0.02 0.00 0.00 41.12 41.60 2jmu n ASP 17 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 2jmu h THR 18 N 3.47 0.63 -0.63 -3.53 2.02 -1.84 0.43 112.91 113.46 2jmu h THR 18 Ca 0.00 -0.03 0.05 0.00 0.77 0.00 0.00 66.41 67.20 2jmu h THR 18 Cb 0.81 0.55 -0.05 0.00 -1.74 0.00 0.00 68.15 67.73 2jmu h THR 18 CO 0.00 0.01 0.36 -0.33 0.37 0.00 0.00 175.52 175.93 2jmu h GLU 19 N 0.07 0.66 -0.31 6.66 3.07 -1.85 0.41 114.58 123.28 2jmu h GLU 19 Ca 0.21 -0.04 -0.17 0.00 -0.50 0.00 0.00 59.36 58.87 2jmu h GLU 19 Cb 0.32 -0.15 -0.00 0.00 -0.84 0.00 0.00 28.75 28.08 2jmu h GLU 19 CO -0.39 0.43 -0.46 0.93 -1.40 0.00 0.00 179.01 178.12 2jmu h GLU 20 N 0.68 0.87 -0.64 2.33 4.39 -1.59 -2.72 114.58 117.89 2jmu h GLU 20 Ca 0.27 -0.51 -0.09 0.00 0.34 0.00 0.00 59.36 59.37 2jmu h GLU 20 Cb 0.13 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.80 2jmu h GLU 20 CO -0.16 1.15 0.06 -0.09 -1.16 0.00 0.00 179.01 178.82 2jmu h ARG 21 N 0.66 1.10 -0.80 2.33 9.65 0.36 -2.47 114.38 125.21 2jmu h ARG 21 Ca 0.03 -0.32 0.07 0.00 -1.10 0.00 0.00 59.98 58.66 2jmu h ARG 21 Cb 1.07 -0.12 -0.06 0.00 -1.39 0.00 0.00 29.97 29.47 2jmu h ARG 21 CO 0.11 1.03 0.47 -0.07 2.80 0.00 0.00 179.97 184.31 2jmu h LEU 22 N 1.01 0.72 -0.20 3.80 3.38 -0.10 0.30 115.31 124.22 2jmu h LEU 22 Ca 0.19 0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.23 2jmu h LEU 22 Cb 0.50 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.09 2jmu h LEU 22 CO 0.02 0.45 -0.06 1.56 0.09 0.00 0.00 178.44 180.50 2jmu h GLN 23 N 0.85 -0.01 0.00 1.13 4.20 -1.13 0.17 115.11 120.32 2jmu h GLN 23 Ca 0.36 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.94 2jmu h GLN 23 Cb 0.23 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 2jmu h GLN 23 CO -0.19 -0.01 -0.64 1.05 -0.67 0.00 0.00 178.83 178.36 2jmu h GLU 24 N -0.01 0.00 0.00 1.46 4.11 -1.12 -3.11 114.58 115.91 2jmu h GLU 24 Ca 0.10 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.48 2jmu h GLU 24 Cb 0.16 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 2jmu h GLU 24 CO -0.21 0.64 -0.24 -0.07 0.07 0.00 0.00 179.01 179.20 2jmu h LEU 25 N 0.00 0.00 0.00 3.06 3.38 0.22 -3.46 115.31 118.51 2jmu h LEU 25 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2jmu h LEU 25 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 2jmu h LEU 25 CO 0.08 0.24 0.00 0.61 0.09 0.00 0.00 178.44 179.47 2jmu n GLY 26 N -0.24 1.13 3.70 0.83 0.00 -0.35 -5.06 105.19 105.20 2jmu n GLY 26 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 2jmu n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jmu s ALA 27 N -1.78 3.35 0.02 4.61 0.00 0.45 -4.76 121.76 123.64 2jmu s ALA 27 Ca 0.00 0.58 -0.02 0.00 0.00 0.00 0.00 51.96 52.52 2jmu s ALA 27 Cb 0.00 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.65 2jmu s ALA 27 CO 0.00 -0.50 0.19 -0.08 0.00 0.00 0.00 175.76 175.37 2jmu s THR 28 N 1.57 5.39 -0.09 0.00 -1.32 -0.18 -3.77 115.64 117.23 2jmu s THR 28 Ca 0.53 -0.25 -0.30 0.00 -1.21 0.00 0.00 61.69 60.46 2jmu s THR 28 Cb -0.23 -3.56 -0.03 0.00 -1.51 0.00 0.00 72.50 67.18 2jmu s THR 28 CO 0.24 0.26 1.22 -0.22 -2.21 0.00 0.00 174.62 173.91 2jmu s LEU 29 N -2.13 4.24 -0.20 9.08 2.96 -1.26 -0.92 118.68 130.45 2jmu s LEU 29 Ca 0.30 1.77 -0.18 0.00 -0.22 0.00 0.00 54.13 55.80 2jmu s LEU 29 Cb -0.13 -3.55 -0.14 0.00 0.50 0.00 0.00 46.19 42.87 2jmu s LEU 29 CO 0.22 -0.64 0.04 -0.62 -1.32 0.00 0.00 176.35 174.03 2jmu n GLU 30 N 5.65 0.54 -3.86 1.98 -0.58 0.18 -4.95 120.64 119.61 2jmu n GLU 30 Ca 0.12 0.53 -0.12 0.00 -0.42 0.00 0.00 57.16 57.27 2jmu n GLU 30 Cb 0.46 -1.70 -0.11 0.00 -0.57 0.00 0.00 31.44 29.52 2jmu n GLU 30 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 2jmu s HIS 31 N -2.36 -0.02 -0.12 -0.32 2.46 -1.14 -4.99 115.29 108.80 2jmu s HIS 31 Ca -0.26 0.03 -0.05 0.00 0.47 0.00 0.00 55.06 55.25 2jmu s HIS 31 Cb 0.06 -0.02 0.06 0.00 -0.13 0.00 0.00 32.58 32.55 2jmu s HIS 31 CO 0.48 -0.23 0.26 0.50 -2.47 0.00 0.00 174.74 173.28 2jmu s ARG 32 N -0.97 0.17 0.01 2.88 3.00 -1.26 -0.18 118.95 122.61 2jmu s ARG 32 Ca -0.11 0.69 0.08 0.00 -1.00 0.00 0.00 55.73 55.39 2jmu s ARG 32 Cb -0.06 -0.06 -0.02 0.00 0.00 0.00 0.00 34.95 34.81 2jmu s ARG 32 CO 0.01 -0.24 -0.25 0.14 0.00 0.00 0.00 175.30 174.96 2jmu s VAL 33 N 2.03 1.98 -0.06 7.11 -7.23 0.11 -5.00 120.40 119.34 2jmu s VAL 33 Ca -0.02 -1.20 -0.02 0.00 -1.81 0.00 0.00 61.98 58.92 2jmu s VAL 33 Cb -0.11 -1.67 0.04 0.00 0.56 0.00 0.00 36.38 35.19 2jmu s VAL 33 CO -0.09 0.43 0.11 0.42 -0.31 0.00 0.00 175.10 175.67 2jmu s THR 34 N -0.69 -0.15 0.20 5.32 -4.23 -1.26 -1.46 115.64 113.36 2jmu s THR 34 Ca 0.10 0.33 -0.22 0.00 -1.18 0.00 0.00 61.69 60.71 2jmu s THR 34 Cb -0.10 -0.22 0.07 0.00 1.34 0.00 0.00 72.50 73.60 2jmu s THR 34 CO 0.01 0.14 0.98 0.72 -0.54 0.00 0.00 174.62 175.92 2jmu s PHE 35 N 1.89 0.00 -0.04 3.99 -0.12 -0.93 -5.02 117.98 117.75 2jmu s PHE 35 Ca -0.00 -0.40 0.05 0.00 -0.05 0.00 0.00 56.93 56.53 2jmu s PHE 35 Cb -0.12 0.70 -0.01 0.00 -0.63 0.00 0.00 43.02 42.96 2jmu s PHE 35 CO -0.05 -0.96 -0.20 -0.98 -0.05 0.00 0.00 175.22 172.98 2jmu s ARG 36 N -2.60 1.96 -0.19 1.99 1.70 -1.26 0.62 118.95 121.17 2jmu s ARG 36 Ca 0.18 -0.73 -0.05 0.00 -0.47 0.00 0.00 55.73 54.66 2jmu s ARG 36 Cb -0.02 -1.74 -0.02 0.00 -0.57 0.00 0.00 34.95 32.59 2jmu s ARG 36 CO 0.05 0.34 -0.01 -0.51 -1.08 0.00 0.00 175.30 174.10 2jmu s ASP 37 N -0.18 4.84 -0.28 -2.89 1.01 -0.49 -0.18 116.67 118.51 2jmu s ASP 37 Ca -0.00 -0.18 -0.09 0.00 0.71 0.00 0.00 52.55 52.98 2jmu s ASP 37 Cb -0.11 -1.82 -0.03 0.00 1.01 0.00 0.00 42.92 41.97 2jmu s ASP 37 CO 0.02 0.08 0.14 0.42 0.21 0.00 0.00 175.17 176.04 2jmu s THR 38 N 0.88 4.76 -0.02 -1.27 -4.23 0.13 -2.34 115.64 113.56 2jmu s THR 38 Ca 0.01 -0.11 0.00 0.00 -1.18 0.00 0.00 61.69 60.41 2jmu s THR 38 Cb -0.14 -3.30 -0.04 0.00 1.34 0.00 0.00 72.50 70.36 2jmu s THR 38 CO 0.02 0.24 0.04 -0.31 -0.54 0.00 0.00 174.62 174.06 2jmu s TYR 39 N 1.67 3.18 0.15 3.99 1.51 0.20 0.09 117.35 128.14 2jmu s TYR 39 Ca 0.06 0.16 0.08 0.00 -1.01 0.00 0.00 57.07 56.35 2jmu s TYR 39 Cb -0.16 -1.72 -0.04 0.00 -0.11 0.00 0.00 41.96 39.93 2jmu s TYR 39 CO 0.07 0.51 -0.17 0.71 -1.11 0.00 0.00 175.55 175.56 2jmu s TYR 40 N -1.10 1.69 0.18 2.71 1.51 0.14 -0.18 117.35 122.29 2jmu s TYR 40 Ca 0.20 -0.50 -0.24 0.00 -1.01 0.00 0.00 57.07 55.52 2jmu s TYR 40 Cb -0.12 -0.85 0.05 0.00 -0.11 0.00 0.00 41.96 40.94 2jmu s TYR 40 CO 0.11 0.28 0.80 0.34 -1.11 0.00 0.00 175.55 175.96 2jmu s ASP 41 N -2.65 -0.31 0.97 2.29 -1.08 -0.69 -3.70 116.67 111.51 2jmu s ASP 41 Ca 0.14 -0.35 -0.12 0.00 -0.52 0.00 0.00 52.55 51.70 2jmu s ASP 41 Cb -0.05 0.58 0.17 0.00 -1.46 0.00 0.00 42.92 42.17 2jmu s ASP 41 CO 0.05 -1.04 1.09 0.42 0.52 0.00 0.00 175.17 176.21 2jmu s THR 42 N -3.58 2.28 -0.72 1.71 -4.23 -1.26 -0.87 115.64 108.97 2jmu s THR 42 Ca 0.09 0.09 0.16 0.00 -1.18 0.00 0.00 61.69 60.85 2jmu s THR 42 Cb -0.03 -2.54 0.16 0.00 1.34 0.00 0.00 72.50 71.42 2jmu s THR 42 CO -0.00 -0.12 1.50 -1.54 -0.54 0.00 0.00 174.62 173.92 2jmu n SER 43 N -4.12 0.30 -0.30 3.99 3.41 -1.26 -1.96 113.62 113.67 2jmu n SER 43 Ca 0.06 0.59 0.04 0.00 -0.26 0.00 0.00 58.87 59.30 2jmu n SER 43 Cb 0.56 -0.65 0.10 0.00 -0.26 0.00 0.00 64.21 63.96 2jmu n SER 43 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 2jmu n GLU 44 N -1.85 2.68 -1.42 4.33 0.28 -1.26 -4.98 120.64 118.42 2jmu n GLU 44 Ca 0.02 -1.99 -0.14 0.00 -0.16 0.00 0.00 57.16 54.88 2jmu n GLU 44 Cb 0.15 -1.26 -0.06 0.00 1.43 0.00 0.00 31.44 31.70 2jmu n GLU 44 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 2jmu n LEU 45 N -0.35 -0.84 0.14 -1.84 4.32 -0.83 -4.87 117.00 112.73 2jmu n LEU 45 Ca 0.08 0.35 0.04 0.00 -0.02 0.00 0.00 56.01 56.47 2jmu n LEU 45 Cb 0.44 -2.52 0.44 0.00 -1.62 0.00 0.00 43.42 40.16 2jmu n LEU 45 CO 0.04 -0.95 0.94 0.28 -1.22 0.00 0.00 177.39 176.48 2jmu h SER 46 N 0.00 0.18 0.43 -1.43 0.02 -1.94 -2.04 113.55 108.76 2jmu h SER 46 Ca -0.29 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.61 2jmu h SER 46 Cb 1.13 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.63 2jmu h SER 46 CO 0.43 0.30 -0.21 0.25 -1.14 0.00 0.00 176.83 176.46 2jmu h LEU 47 N 0.19 -0.49 -0.52 5.07 5.85 -1.88 -2.73 115.31 120.79 2jmu h LEU 47 Ca 0.04 -0.10 -0.17 0.00 0.84 0.00 0.00 57.88 58.50 2jmu h LEU 47 Cb 0.28 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 2jmu h LEU 47 CO 0.01 -0.08 -0.68 0.24 -0.34 0.00 0.00 178.44 177.59 2jmu h MET 48 N -1.00 0.29 0.00 1.25 2.86 -1.51 -2.09 114.93 114.73 2jmu h MET 48 Ca -0.06 -0.23 -0.02 0.00 -2.06 0.00 0.00 59.70 57.33 2jmu h MET 48 Cb 0.56 0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.26 2jmu h MET 48 CO 0.10 0.86 -0.10 -0.07 1.06 0.00 0.00 176.91 178.76 2jmu h LEU 49 N 0.21 0.00 -1.22 1.22 4.07 -1.46 -1.13 115.31 116.99 2jmu h LEU 49 Ca -0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.94 2jmu h LEU 49 Cb 1.23 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.97 2jmu h LEU 49 CO 0.11 0.10 0.00 -1.20 -1.08 0.00 0.00 178.44 176.37 2jmu n SER 50 N -3.52 1.68 -0.24 -0.43 7.64 -0.90 -4.84 113.62 113.01 2jmu n SER 50 Ca -0.02 -2.13 -0.03 0.00 1.01 0.00 0.00 58.87 57.70 2jmu n SER 50 Cb 0.23 -0.35 -0.01 0.00 -1.01 0.00 0.00 64.21 63.07 2jmu n SER 50 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2jmu n ASP 51 N 0.12 -3.66 -4.25 6.43 8.00 -0.43 -4.76 116.55 118.01 2jmu n ASP 51 Ca 0.07 0.08 -0.40 0.00 0.71 0.00 0.00 54.79 55.25 2jmu n ASP 51 Cb 0.34 -1.44 -0.10 0.00 -0.02 0.00 0.00 41.12 39.90 2jmu n ASP 51 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 2jmu s HIS 52 N -2.02 3.36 -0.32 1.24 3.76 -0.84 -3.68 115.29 116.79 2jmu s HIS 52 Ca 0.00 -1.64 -0.10 0.00 -0.15 0.00 0.00 55.06 53.17 2jmu s HIS 52 Cb 0.00 -2.94 -0.01 0.00 1.11 0.00 0.00 32.58 30.74 2jmu s HIS 52 CO 0.00 -0.86 0.18 -1.58 -0.85 0.00 0.00 174.74 171.63 2jmu s TRP 53 N 1.39 3.19 -0.17 1.40 0.52 -0.91 -2.79 118.94 121.57 2jmu s TRP 53 Ca 0.03 -0.52 -0.07 0.00 0.02 0.00 0.00 56.10 55.56 2jmu s TRP 53 Cb -0.23 -2.39 -0.04 0.00 -1.15 0.00 0.00 33.47 29.66 2jmu s TRP 53 CO 0.01 -0.45 0.07 -1.17 0.02 0.00 0.00 176.95 175.43 2jmu s LEU 54 N 1.63 3.87 0.06 2.99 2.96 -1.24 -0.12 118.68 128.83 2jmu s LEU 54 Ca 0.05 0.13 -0.00 0.00 -0.22 0.00 0.00 54.13 54.08 2jmu s LEU 54 Cb -0.17 -1.97 -0.04 0.00 0.50 0.00 0.00 46.19 44.51 2jmu s LEU 54 CO 0.07 0.21 -0.04 0.00 -1.32 0.00 0.00 176.35 175.27 2jmu s ARG 55 N 0.17 0.62 -0.07 1.98 1.70 0.62 -0.69 118.95 123.28 2jmu s ARG 55 Ca 0.05 -1.17 -0.03 0.00 -0.47 0.00 0.00 55.73 54.11 2jmu s ARG 55 Cb -0.12 0.12 0.04 0.00 -0.57 0.00 0.00 34.95 34.41 2jmu s ARG 55 CO 0.00 -0.08 0.08 -1.14 -1.08 0.00 0.00 175.30 173.08 2jmu s GLN 56 N -3.62 -0.04 -0.88 3.89 2.00 0.11 -0.51 119.66 120.61 2jmu s GLN 56 Ca 0.05 0.32 -0.25 0.00 -2.00 0.00 0.00 55.36 53.48 2jmu s GLN 56 Cb 0.05 -0.72 0.04 0.00 0.80 0.00 0.00 33.01 33.18 2jmu s GLN 56 CO -0.08 -0.39 1.37 -0.98 -0.50 0.00 0.00 175.29 174.71 2jmu s ARG 57 N 2.18 3.38 0.00 1.67 1.70 -0.89 0.17 118.95 127.16 2jmu s ARG 57 Ca 0.04 -0.67 0.00 0.00 -0.47 0.00 0.00 55.73 54.63 2jmu s ARG 57 Cb -0.13 -4.76 0.00 0.00 -0.57 0.00 0.00 34.95 29.49 2jmu s ARG 57 CO -0.04 -2.18 0.00 -0.85 -1.08 0.00 0.00 175.30 171.14 2jmu n GLU 58 N 9.14 0.00 -0.82 3.89 0.28 0.75 -0.37 120.64 133.51 2jmu n GLU 58 Ca 0.18 0.00 -0.04 0.00 -0.16 0.00 0.00 57.16 57.14 2jmu n GLU 58 Cb 0.50 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 33.33 2jmu n GLU 58 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2jmu n GLY 59 N 0.00 0.70 0.09 -1.84 0.00 -1.26 -4.94 105.19 97.94 2jmu n GLY 59 Ca 0.00 -0.02 -0.08 0.00 0.00 0.00 0.00 46.02 45.92 2jmu n GLY 59 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2jmu n SER 60 N 0.01 0.15 0.00 1.61 2.88 0.50 -5.01 113.62 113.76 2jmu n SER 60 Ca -0.16 0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.45 2jmu n SER 60 Cb 0.64 0.89 0.00 0.00 -0.75 0.00 0.00 64.21 64.98 2jmu n SER 60 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jmu n GLY 61 N 1.68 1.50 3.85 0.46 0.00 -1.25 -4.98 105.19 106.45 2jmu n GLY 61 Ca -0.28 0.16 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 2jmu n GLY 61 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2jmu s TRP 62 N -0.57 3.39 -0.13 1.61 0.52 -1.26 -2.09 118.94 120.41 2jmu s TRP 62 Ca 0.00 1.15 -0.08 0.00 0.02 0.00 0.00 56.10 57.19 2jmu s TRP 62 Cb 0.00 -2.48 0.05 0.00 -1.15 0.00 0.00 33.47 29.89 2jmu s TRP 62 CO 0.00 0.14 0.32 -2.00 0.02 0.00 0.00 176.95 175.43 2jmu s GLU 63 N -2.91 0.31 -0.07 4.98 2.12 0.33 -4.51 118.70 118.96 2jmu s GLU 63 Ca 0.52 0.58 0.04 0.00 0.36 0.00 0.00 54.97 56.47 2jmu s GLU 63 Cb -0.11 -0.00 0.00 0.00 0.26 0.00 0.00 34.13 34.28 2jmu s GLU 63 CO 0.18 -0.13 -0.18 -1.17 -0.54 0.00 0.00 175.26 173.42 2jmu s LEU 64 N 0.98 1.90 -0.11 2.70 2.96 0.11 -0.28 118.68 126.94 2jmu s LEU 64 Ca -0.07 -0.41 -0.10 0.00 -0.22 0.00 0.00 54.13 53.34 2jmu s LEU 64 Cb -0.07 -1.09 -0.05 0.00 0.50 0.00 0.00 46.19 45.48 2jmu s LEU 64 CO -0.07 0.13 0.21 -0.75 -1.32 0.00 0.00 176.35 174.55 2jmu s LYS 65 N 0.27 3.71 0.07 1.98 2.47 0.83 -0.16 119.74 128.91 2jmu s LYS 65 Ca -0.11 -0.01 0.06 0.00 -1.56 0.00 0.00 55.97 54.35 2jmu s LYS 65 Cb -0.15 -3.25 -0.03 0.00 -1.46 0.00 0.00 37.83 32.95 2jmu s LYS 65 CO 0.05 0.65 -0.16 0.00 0.16 0.00 0.00 175.35 176.05 2jmu n PRO 67 N 1.46 0.72 -0.23 0.00 -0.04 -1.24 0.60 135.00 136.27 2jmu n PRO 67 Ca -0.20 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.26 2jmu n PRO 67 Cb 0.54 -1.35 0.00 0.00 -0.04 0.00 0.00 33.50 32.65 2jmu n PRO 67 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jmu n GLY 68 N 0.17 1.87 3.25 0.55 0.00 -0.62 -0.86 105.19 109.56 2jmu n GLY 68 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2jmu n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jmu s VAL 69 N -3.00 2.54 0.13 1.61 1.01 -1.26 -4.60 120.40 116.81 2jmu s VAL 69 Ca 0.00 -0.82 -0.13 0.00 0.00 0.00 0.00 61.98 61.03 2jmu s VAL 69 Cb 0.00 -2.05 -0.05 0.00 0.00 0.00 0.00 36.38 34.28 2jmu s VAL 69 CO 0.00 0.53 1.47 0.74 0.00 0.00 0.00 175.10 177.84 2jmu h THR 70 N 5.68 1.28 0.00 3.92 2.02 -1.97 -3.44 112.91 120.39 2jmu h THR 70 Ca -0.31 -1.45 0.00 0.00 0.77 0.00 0.00 66.41 65.42 2jmu h THR 70 Cb 1.20 1.40 0.00 0.00 -1.74 0.00 0.00 68.15 69.01 2jmu h THR 70 CO 0.56 0.48 0.00 0.61 0.37 0.00 0.00 175.52 177.54 2jmu n GLY 71 N 0.07 -0.17 0.09 2.16 0.00 -1.26 -4.92 105.19 101.16 2jmu n GLY 71 Ca -0.02 0.06 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 2jmu n GLY 71 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2jmu n VAL 72 N 0.00 1.23 -0.29 1.61 0.31 -1.26 -5.11 118.33 114.82 2jmu n VAL 72 Ca 0.00 -0.71 0.00 0.00 -0.01 0.00 0.00 64.34 63.62 2jmu n VAL 72 Cb 0.00 -0.65 0.00 0.00 -0.91 0.00 0.00 33.84 32.28 2jmu n VAL 72 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2jmu n SER 73 N -2.73 -2.78 0.00 4.52 7.64 -1.26 -5.10 113.62 113.91 2jmu n SER 73 Ca -0.31 0.22 0.00 0.00 1.01 0.00 0.00 58.87 59.80 2jmu n SER 73 Cb 1.05 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 64.24 2jmu n SER 73 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jmu n GLY 74 N -0.66 0.12 0.00 0.23 0.00 -1.26 -5.11 105.19 98.51 2jmu n GLY 74 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.52 2jmu n GLY 74 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2jmu n PRO 75 N 0.00 1.06 -3.99 1.61 -0.04 -1.26 -5.09 135.00 127.29 2jmu n PRO 75 Ca 0.00 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.17 2jmu n PRO 75 Cb 0.00 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.29 2jmu n PRO 75 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 2jmu s HIS 76 N 0.22 1.97 -0.43 0.54 -3.43 -1.26 -4.87 115.29 108.03 2jmu s HIS 76 Ca 0.00 -1.09 0.04 0.00 -0.80 0.00 0.00 55.06 53.21 2jmu s HIS 76 Cb 0.00 -1.49 0.31 0.00 -1.43 0.00 0.00 32.58 29.97 2jmu s HIS 76 CO 0.00 -0.63 1.22 0.09 -2.00 0.00 0.00 174.74 173.42 2jmu n ASN 77 N 4.82 3.17 -0.78 7.38 3.02 -0.04 -4.97 115.26 127.87 2jmu n ASN 77 Ca -0.16 -2.54 0.01 0.00 -0.03 0.00 0.00 54.58 51.86 2jmu n ASN 77 Cb 0.50 -0.61 -0.00 0.00 -0.61 0.00 0.00 39.78 39.05 2jmu n ASN 77 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2jmu n GLU 78 N 0.03 -2.04 -1.89 3.52 1.02 -1.11 -4.60 120.64 115.57 2jmu n GLU 78 Ca 0.19 1.59 -0.42 0.00 -0.02 0.00 0.00 57.16 58.49 2jmu n GLU 78 Cb 0.83 -2.00 -0.03 0.00 -0.02 0.00 0.00 31.44 30.22 2jmu n GLU 78 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2jmu s TYR 79 N -4.64 2.15 0.15 -0.32 2.02 -1.25 -1.58 117.35 113.88 2jmu s TYR 79 Ca 0.00 0.16 0.05 0.00 -0.37 0.00 0.00 57.07 56.92 2jmu s TYR 79 Cb 0.00 -4.01 -0.04 0.00 -0.40 0.00 0.00 41.96 37.51 2jmu s TYR 79 CO 0.00 -4.17 0.09 0.14 -1.57 0.00 0.00 175.55 170.04 2jmu s VAL 80 N 3.18 4.26 -0.11 0.71 -7.23 0.20 -4.82 120.40 116.59 2jmu s VAL 80 Ca 0.76 -1.13 0.03 0.00 -1.81 0.00 0.00 61.98 59.84 2jmu s VAL 80 Cb -0.39 -3.15 0.01 0.00 0.56 0.00 0.00 36.38 33.41 2jmu s VAL 80 CO 0.33 -0.07 -0.20 -1.61 -0.31 0.00 0.00 175.10 173.24 2jmu s GLU 81 N -2.93 2.73 -0.33 4.82 2.02 -1.26 -0.14 118.70 123.62 2jmu s GLU 81 Ca 0.29 -0.76 -0.10 0.00 0.02 0.00 0.00 54.97 54.42 2jmu s GLU 81 Cb -0.10 -2.17 -0.00 0.00 0.10 0.00 0.00 34.13 31.96 2jmu s GLU 81 CO 0.22 0.06 0.17 0.08 0.02 0.00 0.00 175.26 175.80 2jmu s VAL 82 N 0.65 4.66 -0.68 2.63 1.01 0.78 -4.90 120.40 124.54 2jmu s VAL 82 Ca -0.12 -0.49 0.12 0.00 0.00 0.00 0.00 61.98 61.49 2jmu s VAL 82 Cb -0.16 -3.42 -0.11 0.00 0.00 0.00 0.00 36.38 32.68 2jmu s VAL 82 CO 0.03 -0.00 0.56 0.35 0.00 0.00 0.00 175.10 176.04 2jmu n THR 83 N 5.00 0.00 -2.84 3.92 -2.24 -1.26 0.04 114.28 116.89 2jmu n THR 83 Ca -0.13 -0.23 -0.42 0.00 -2.27 0.00 0.00 64.05 61.00 2jmu n THR 83 Cb 0.49 1.02 -0.04 0.00 -2.10 0.00 0.00 70.33 69.70 2jmu n THR 83 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2jmu s SER 84 N -2.07 7.00 0.20 3.42 0.01 -1.26 -4.63 113.70 116.36 2jmu s SER 84 Ca 0.06 1.23 -0.11 0.00 1.31 0.00 0.00 55.95 58.43 2jmu s SER 84 Cb 0.09 -2.47 0.25 0.00 0.21 0.00 0.00 66.02 64.10 2jmu s SER 84 CO 0.48 -0.44 1.71 -0.33 0.41 0.00 0.00 173.24 175.07 2jmu h GLU 85 N 7.34 0.25 -0.79 12.44 3.07 -1.90 -1.65 114.58 133.34 2jmu h GLU 85 Ca -0.28 -0.02 0.05 0.00 -0.50 0.00 0.00 59.36 58.61 2jmu h GLU 85 Cb 1.12 -0.06 -0.05 0.00 -0.84 0.00 0.00 28.75 28.93 2jmu h GLU 85 CO 0.85 0.17 0.52 0.00 -1.40 0.00 0.00 179.01 179.15 2jmu h ALA 86 N 1.44 1.58 0.04 3.43 0.00 -1.93 0.21 119.26 124.02 2jmu h ALA 86 Ca 0.29 -0.03 -0.23 0.00 0.00 0.00 0.00 54.91 54.94 2jmu h ALA 86 Cb 0.41 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 2jmu h ALA 86 CO -0.37 0.32 -1.01 0.00 0.00 0.00 0.00 179.25 178.19 2jmu h ALA 87 N 1.56 0.34 -0.51 0.00 0.00 -1.76 -2.82 119.26 116.07 2jmu h ALA 87 Ca 0.33 -0.78 -0.05 0.00 0.00 0.00 0.00 54.91 54.41 2jmu h ALA 87 Cb 0.14 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2jmu h ALA 87 CO -0.11 0.93 0.12 0.82 0.00 0.00 0.00 179.25 181.01 2jmu h ILE 88 N 0.12 1.24 0.18 0.00 2.04 -0.28 0.17 117.51 120.99 2jmu h ILE 88 Ca -0.08 -0.87 0.01 0.00 1.00 0.00 0.00 64.86 64.93 2jmu h ILE 88 Cb 1.68 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 38.56 2jmu h ILE 88 CO 0.16 0.31 -0.27 0.58 0.00 0.00 0.00 178.15 178.93 2jmu h VAL 89 N 0.71 0.42 -0.73 1.67 2.07 -0.65 0.23 116.25 119.96 2jmu h VAL 89 Ca 0.16 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.62 2jmu h VAL 89 Cb 0.34 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 2jmu h VAL 89 CO 0.00 0.00 0.24 0.00 0.02 0.00 0.00 177.57 177.83 2jmu h ALA 90 N 0.16 1.03 0.13 1.67 0.00 -1.39 -2.75 119.26 118.11 2jmu h ALA 90 Ca 0.01 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 2jmu h ALA 90 Cb 0.52 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2jmu h ALA 90 CO -0.11 0.65 -0.06 0.37 0.00 0.00 0.00 179.25 180.10 2jmu h GLN 91 N 1.09 -0.17 -0.80 0.00 5.75 -0.24 -2.54 115.11 118.19 2jmu h GLN 91 Ca 0.24 0.01 0.08 0.00 -0.15 0.00 0.00 58.65 58.83 2jmu h GLN 91 Cb 0.29 0.04 -0.05 0.00 1.07 0.00 0.00 27.48 28.82 2jmu h GLN 91 CO -0.01 -0.00 0.53 -0.07 -2.65 0.00 0.00 178.83 176.62 2jmu h LEU 92 N -0.32 0.73 -0.11 -2.39 -0.00 -0.49 0.88 115.31 113.61 2jmu h LEU 92 Ca -0.02 0.01 -0.01 0.00 -0.00 0.00 0.00 57.88 57.87 2jmu h LEU 92 Cb 0.25 -0.15 -0.00 0.00 -0.00 0.00 0.00 40.66 40.76 2jmu h LEU 92 CO 0.03 0.46 0.05 -0.26 -0.00 0.00 0.00 178.44 178.72 2jmu h PHE 93 N 0.82 0.16 0.00 1.13 -1.00 -1.26 0.03 116.94 116.82 2jmu h PHE 93 Ca 0.36 -0.01 -0.14 0.00 2.81 0.00 0.00 57.97 60.99 2jmu h PHE 93 Cb 0.32 -0.05 -0.02 0.00 3.61 0.00 0.00 35.95 39.81 2jmu h PHE 93 CO -0.00 0.24 -0.65 1.05 -1.61 0.00 0.00 178.31 177.34 2jmu h GLU 94 N 0.04 0.00 -0.19 1.51 4.11 -1.02 0.18 114.58 119.20 2jmu h GLU 94 Ca 0.04 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.43 2jmu h GLU 94 Cb 0.14 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 2jmu h GLU 94 CO -0.00 0.65 -0.03 -0.07 0.07 0.00 0.00 179.01 179.62 2jmu h LEU 95 N 0.00 0.36 0.00 3.06 3.38 -0.66 -3.34 115.31 118.12 2jmu h LEU 95 Ca -0.01 -0.35 -0.28 0.00 0.09 0.00 0.00 57.88 57.33 2jmu h LEU 95 Cb 1.20 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.80 2jmu h LEU 95 CO 0.08 0.63 -1.87 -0.11 0.09 0.00 0.00 178.44 177.27 2jmu n LEU 96 N -4.66 0.57 0.00 1.67 7.94 -0.02 -4.99 117.00 117.52 2jmu n LEU 96 Ca -0.05 0.27 0.00 0.00 -1.11 0.00 0.00 56.01 55.12 2jmu n LEU 96 Cb 0.26 0.24 0.00 0.00 0.53 0.00 0.00 43.42 44.46 2jmu n LEU 96 CO 0.38 0.35 0.00 0.61 -1.11 0.00 0.00 177.39 177.62 2jmu n GLY 97 N 1.57 3.12 5.33 -3.96 0.00 0.62 -5.00 105.19 106.86 2jmu n GLY 97 Ca -0.20 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 44.96 2jmu n GLY 97 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2jmu n SER 98 N 0.69 0.00 0.00 1.61 2.88 -1.24 -4.70 113.62 112.86 2jmu n SER 98 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2jmu n SER 98 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2jmu n SER 98 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jmu n GLY 99 N 0.00 0.75 3.99 0.46 0.00 -1.26 -5.06 105.19 104.07 2jmu n GLY 99 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 2jmu n GLY 99 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jmu s GLU 100 N -0.49 2.81 0.90 1.61 0.41 -1.26 -5.10 118.70 117.58 2jmu s GLU 100 Ca 0.00 -0.99 -0.11 0.00 -0.41 0.00 0.00 54.97 53.46 2jmu s GLU 100 Cb 0.00 -2.67 0.13 0.00 -1.78 0.00 0.00 34.13 29.82 2jmu s GLU 100 CO 0.00 -0.35 1.09 1.14 -0.49 0.00 0.00 175.26 176.65 2jmu s GLN 101 N -4.47 1.19 -0.17 1.61 1.03 -1.26 -5.00 119.66 112.59 2jmu s GLN 101 Ca 0.53 0.86 -0.24 0.00 0.04 0.00 0.00 55.36 56.55 2jmu s GLN 101 Cb -0.10 -1.80 -0.02 0.00 0.03 0.00 0.00 33.01 31.12 2jmu s GLN 101 CO 0.35 -2.30 0.78 0.15 -2.54 0.00 0.00 175.29 171.72 2jmu s LYS 102 N -4.90 4.29 0.00 9.60 -0.14 -1.26 -5.05 119.74 122.28 2jmu s LYS 102 Ca 0.64 0.92 0.00 0.00 -1.36 0.00 0.00 55.97 56.17 2jmu s LYS 102 Cb -0.18 -3.56 0.00 0.00 -1.68 0.00 0.00 37.83 32.40 2jmu s LYS 102 CO 0.57 -0.27 0.00 -0.35 -0.76 0.00 0.00 175.35 174.54 2jmu n PRO 103 N 5.06 2.96 0.00 -1.68 -0.05 -1.26 -5.08 135.00 134.95 2jmu n PRO 103 Ca 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.48 2jmu n PRO 103 Cb 0.49 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.94 2jmu n PRO 103 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 2jmu n ALA 104 N -3.00 0.00 -2.38 0.55 0.00 -1.26 -4.96 120.51 109.45 2jmu n ALA 104 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 2jmu n ALA 104 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 2jmu n ALA 104 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2jmu s GLY 105 N 0.00 1.44 0.33 0.00 0.00 -1.26 -4.28 107.32 103.55 2jmu s GLY 105 Ca 0.00 -1.20 0.09 0.00 0.00 0.00 0.00 44.72 43.61 2jmu s GLY 105 CO 0.00 -1.06 1.77 -2.08 0.00 0.00 0.00 173.10 171.73 2jmu h VAL 106 N 4.20 1.28 -0.61 1.40 2.07 -1.97 -2.74 116.25 119.87 2jmu h VAL 106 Ca -0.46 -1.34 0.00 0.00 0.82 0.00 0.00 66.70 65.71 2jmu h VAL 106 Cb 1.14 1.61 -0.03 0.00 -1.52 0.00 0.00 31.29 32.50 2jmu h VAL 106 CO 0.46 0.40 0.38 0.00 0.02 0.00 0.00 177.57 178.83 2jmu h ALA 107 N 1.49 1.52 -0.08 1.67 0.00 -1.99 0.18 119.26 122.05 2jmu h ALA 107 Ca 0.02 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2jmu h ALA 107 Cb 0.70 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 2jmu h ALA 107 CO 0.05 0.43 -0.03 0.00 0.00 0.00 0.00 179.25 179.70 2jmu h ALA 108 N 1.58 0.12 -0.27 0.00 0.00 -1.92 -2.55 119.26 116.23 2jmu h ALA 108 Ca 0.22 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 2jmu h ALA 108 Cb -0.06 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2jmu h ALA 108 CO -0.04 -0.14 -0.09 -0.39 0.00 0.00 0.00 179.25 178.59 2jmu h VAL 109 N -0.18 1.21 0.00 0.00 -1.51 -1.36 -0.98 116.25 113.42 2jmu h VAL 109 Ca 0.02 -0.88 0.00 0.00 -1.23 0.00 0.00 66.70 64.61 2jmu h VAL 109 Cb 0.46 1.10 -0.00 0.00 -2.13 0.00 0.00 31.29 30.71 2jmu h VAL 109 CO 0.01 0.29 -0.01 0.25 -1.23 0.00 0.00 177.57 176.88 2jmu h LEU 110 N 0.41 -0.03 -0.16 4.19 5.85 -0.92 0.52 115.31 125.17 2jmu h LEU 110 Ca 0.08 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.73 2jmu h LEU 110 Cb 0.41 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.45 2jmu h LEU 110 CO 0.02 -0.01 -0.21 1.23 -0.34 0.00 0.00 178.44 179.12 2jmu h GLY 111 N -0.02 0.47 1.64 3.75 0.00 -1.08 -1.33 103.07 106.50 2jmu h GLY 111 Ca 0.00 -0.51 -0.09 0.00 0.00 0.00 0.00 47.33 46.74 2jmu h GLY 111 CO -0.01 0.46 -0.23 1.76 0.00 0.00 0.00 176.54 178.51 2jmu h SER 112 N 0.06 0.42 0.42 0.19 0.02 -1.09 -2.15 113.55 111.41 2jmu h SER 112 Ca 0.02 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 2jmu h SER 112 Cb 0.77 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.20 2jmu h SER 112 CO 0.05 0.66 -0.40 0.18 -1.14 0.00 0.00 176.83 176.18 2jmu n LEU 113 N -4.14 0.66 -3.03 5.07 4.77 0.16 -4.94 117.00 115.56 2jmu n LEU 113 Ca -0.00 -0.08 -0.21 0.00 -0.03 0.00 0.00 56.01 55.69 2jmu n LEU 113 Cb 0.38 -0.21 0.05 0.00 -2.33 0.00 0.00 43.42 41.32 2jmu n LEU 113 CO 0.41 0.14 0.11 0.29 -1.33 0.00 0.00 177.39 177.02 2jmu n LYS 114 N -1.21 -5.86 -2.04 3.23 5.02 -0.60 -4.95 118.16 111.77 2jmu n LYS 114 Ca 0.08 0.79 -0.41 0.00 -2.02 0.00 0.00 58.31 56.75 2jmu n LYS 114 Cb 0.34 -5.54 -0.02 0.00 -0.02 0.00 0.00 35.03 29.78 2jmu n LYS 114 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2jmu s LEU 115 N -6.41 4.39 -0.08 -0.35 1.43 -0.64 -4.73 118.68 112.29 2jmu s LEU 115 Ca 0.40 2.64 -0.05 0.00 -1.03 0.00 0.00 54.13 56.09 2jmu s LEU 115 Cb -0.18 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 42.38 2jmu s LEU 115 CO 0.50 -0.68 0.13 0.00 0.23 0.00 0.00 176.35 176.53 2jmu s GLN 116 N -0.37 3.36 -0.74 1.70 -2.07 -0.04 -4.88 119.66 116.62 2jmu s GLN 116 Ca 0.59 -0.23 -0.26 0.00 -1.82 0.00 0.00 55.36 53.64 2jmu s GLN 116 Cb -0.41 -3.10 0.01 0.00 -1.09 0.00 0.00 33.01 28.42 2jmu s GLN 116 CO 0.43 0.74 1.50 -2.00 -1.32 0.00 0.00 175.29 174.63 2jmu s GLU 117 N -1.27 3.04 0.09 9.60 2.12 -1.26 -1.70 118.70 129.32 2jmu s GLU 117 Ca 0.18 -0.10 -0.10 0.00 0.36 0.00 0.00 54.97 55.31 2jmu s GLU 117 Cb -0.12 -4.41 -0.20 0.00 0.26 0.00 0.00 34.13 29.66 2jmu s GLU 117 CO 0.08 -2.39 1.21 -0.39 -0.54 0.00 0.00 175.26 173.23 2jmu h VAL 118 N 6.42 1.34 -4.00 3.70 -1.51 -0.89 -3.45 116.25 117.85 2jmu h VAL 118 Ca -0.20 -2.42 -0.38 0.00 -1.23 0.00 0.00 66.70 62.47 2jmu h VAL 118 Cb 1.07 2.50 -0.28 0.00 -2.13 0.00 0.00 31.29 32.46 2jmu h VAL 118 CO 1.27 0.73 -0.77 0.00 -1.23 0.00 0.00 177.57 177.58 2jmu s ALA 119 N -3.18 0.70 -0.19 5.19 0.00 -1.07 -4.99 121.76 118.22 2jmu s ALA 119 Ca -0.08 -0.41 -0.05 0.00 0.00 0.00 0.00 51.96 51.43 2jmu s ALA 119 Cb 0.07 -0.16 0.10 0.00 0.00 0.00 0.00 23.12 23.13 2jmu s ALA 119 CO 0.90 0.16 0.34 0.45 0.00 0.00 0.00 175.76 177.61 2jmu s SER 120 N -0.35 0.26 -0.03 0.00 0.15 -1.26 0.59 113.70 113.08 2jmu s SER 120 Ca 0.02 0.49 -0.18 0.00 0.70 0.00 0.00 55.95 56.98 2jmu s SER 120 Cb -0.04 0.98 0.03 0.00 -1.71 0.00 0.00 66.02 65.29 2jmu s SER 120 CO -0.00 -0.27 0.39 0.72 1.20 0.00 0.00 173.24 175.28 2jmu s PHE 121 N 2.51 -0.29 0.10 3.44 -0.71 -0.99 -4.98 117.98 117.05 2jmu s PHE 121 Ca 0.05 0.48 -0.29 0.00 -1.04 0.00 0.00 56.93 56.13 2jmu s PHE 121 Cb -0.14 0.16 -0.06 0.00 -1.21 0.00 0.00 43.02 41.78 2jmu s PHE 121 CO -0.12 -0.43 0.91 0.42 -1.34 0.00 0.00 175.22 174.66 2jmu s ILE 122 N -1.23 4.55 -0.34 -4.49 1.09 -1.26 -1.39 121.20 118.12 2jmu s ILE 122 Ca -0.12 1.97 -0.07 0.00 -1.10 0.00 0.00 60.65 61.32 2jmu s ILE 122 Cb -0.04 -4.27 0.03 0.00 -1.06 0.00 0.00 42.46 37.12 2jmu s ILE 122 CO 0.05 0.33 0.12 0.42 -0.10 0.00 0.00 174.94 175.77 2jmu s THR 123 N -0.05 4.00 -0.31 2.92 -4.23 0.20 -1.71 115.64 116.47 2jmu s THR 123 Ca 0.45 -0.97 -0.06 0.00 -1.18 0.00 0.00 61.69 59.92 2jmu s THR 123 Cb -0.23 -3.21 0.02 0.00 1.34 0.00 0.00 72.50 70.42 2jmu s THR 123 CO 0.28 -0.13 0.08 0.42 -0.54 0.00 0.00 174.62 174.73 2jmu s THR 124 N 1.46 3.81 -0.05 3.99 -4.23 -0.73 -2.18 115.64 117.71 2jmu s THR 124 Ca 0.00 -0.88 0.02 0.00 -1.18 0.00 0.00 61.69 59.65 2jmu s THR 124 Cb -0.19 -3.03 0.02 0.00 1.34 0.00 0.00 72.50 70.63 2jmu s THR 124 CO 0.04 -0.00 -0.08 -0.60 -0.54 0.00 0.00 174.62 173.43 2jmu s ARG 125 N 1.45 1.16 -0.04 3.99 3.52 -0.54 0.12 118.95 128.62 2jmu s ARG 125 Ca 0.01 -0.25 0.01 0.00 -0.13 0.00 0.00 55.73 55.37 2jmu s ARG 125 Cb -0.18 -1.05 0.02 0.00 -1.56 0.00 0.00 34.95 32.19 2jmu s ARG 125 CO 0.02 -0.00 -0.04 -1.54 -0.81 0.00 0.00 175.30 172.92 2jmu s SER 126 N 0.68 0.90 -0.18 -2.12 1.04 0.86 0.03 113.70 114.91 2jmu s SER 126 Ca -0.11 -0.12 -0.05 0.00 0.48 0.00 0.00 55.95 56.14 2jmu s SER 126 Cb -0.14 -0.43 -0.03 0.00 0.10 0.00 0.00 66.02 65.52 2jmu s SER 126 CO 0.02 -0.05 0.01 -0.44 0.98 0.00 0.00 173.24 173.76 2jmu s SER 127 N 0.84 5.06 0.16 7.02 0.01 0.75 0.39 113.70 127.93 2jmu s SER 127 Ca -0.11 -0.09 0.11 0.00 1.31 0.00 0.00 55.95 57.16 2jmu s SER 127 Cb -0.14 -1.85 -0.04 0.00 0.21 0.00 0.00 66.02 64.19 2jmu s SER 127 CO 0.00 0.13 -0.23 0.26 0.41 0.00 0.00 173.24 173.82 2jmu s TRP 128 N 0.59 2.37 -0.02 2.43 0.52 0.21 0.49 118.94 125.54 2jmu s TRP 128 Ca -0.00 -0.34 0.01 0.00 0.02 0.00 0.00 56.10 55.79 2jmu s TRP 128 Cb -0.14 -1.23 0.01 0.00 -1.15 0.00 0.00 33.47 30.96 2jmu s TRP 128 CO 0.02 0.42 -0.05 0.21 0.02 0.00 0.00 176.95 177.58 2jmu s LYS 129 N -2.38 0.59 -0.01 4.98 2.36 -0.10 0.81 119.74 126.00 2jmu s LYS 129 Ca 0.18 -0.15 0.00 0.00 -2.55 0.00 0.00 55.97 53.45 2jmu s LYS 129 Cb -0.09 -0.60 0.02 0.00 -1.05 0.00 0.00 37.83 36.10 2jmu s LYS 129 CO 0.09 0.04 0.01 -1.17 1.55 0.00 0.00 175.35 175.87 2jmu s LEU 130 N 0.32 1.50 -0.44 5.43 0.20 0.65 -1.01 118.68 125.34 2jmu s LEU 130 Ca -0.04 0.01 -0.24 0.00 0.69 0.00 0.00 54.13 54.55 2jmu s LEU 130 Cb -0.08 -0.06 0.02 0.00 -0.43 0.00 0.00 46.19 45.65 2jmu s LEU 130 CO -0.00 -0.07 0.85 0.00 -0.29 0.00 0.00 176.35 176.85 2jmu s ALA 131 N 0.58 3.30 -0.24 5.97 0.00 -1.26 -0.43 121.76 129.67 2jmu s ALA 131 Ca -0.05 -0.82 -0.29 0.00 0.00 0.00 0.00 51.96 50.80 2jmu s ALA 131 Cb -0.07 -3.53 -0.03 0.00 0.00 0.00 0.00 23.12 19.48 2jmu s ALA 131 CO -0.02 -1.89 1.89 -1.17 0.00 0.00 0.00 175.76 174.57 2jmu s LEU 132 N 3.47 3.65 -0.57 0.00 1.98 0.04 -4.91 118.68 122.34 2jmu s LEU 132 Ca 0.34 1.66 -0.20 0.00 -2.89 0.00 0.00 54.13 53.04 2jmu s LEU 132 Cb -0.11 -3.52 0.08 0.00 0.66 0.00 0.00 46.19 43.29 2jmu s LEU 132 CO 0.23 -1.62 0.74 -0.44 -1.89 0.00 0.00 176.35 173.37 2jmu s SER 133 N 6.15 6.21 -0.18 3.68 0.01 -1.26 -3.60 113.70 124.70 2jmu s SER 133 Ca 0.85 -1.07 -0.11 0.00 1.31 0.00 0.00 55.95 56.92 2jmu s SER 133 Cb -0.28 -2.33 -0.21 0.00 0.21 0.00 0.00 66.02 63.41 2jmu s SER 133 CO 0.34 -1.10 0.17 0.61 0.41 0.00 0.00 173.24 173.66 2jmu n GLY 134 N 5.24 -0.61 0.00 3.44 0.00 -1.26 -5.01 105.19 106.98 2jmu n GLY 134 Ca -0.06 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2jmu n GLY 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jmu n ALA 135 N -3.30 0.08 0.00 4.61 0.00 -1.26 -5.13 120.51 115.52 2jmu n ALA 135 Ca -0.36 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.08 2jmu n ALA 135 Cb 0.91 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.36 2jmu n ALA 135 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2jmu n HIS 136 N 0.00 0.00 0.00 0.00 -0.00 -1.26 -5.07 115.22 108.89 2jmu n HIS 136 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2jmu n HIS 136 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 2jmu n HIS 136 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2jmu n GLY 137 N 0.00 -0.03 2.74 1.57 0.00 -1.26 -5.03 105.19 103.18 2jmu n GLY 137 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 2jmu n GLY 137 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jmu s GLN 138 N -0.31 0.61 0.18 1.61 -0.21 -1.26 -5.14 119.66 115.13 2jmu s GLN 138 Ca 0.00 -0.19 0.03 0.00 0.02 0.00 0.00 55.36 55.22 2jmu s GLN 138 Cb 0.00 -1.64 -0.03 0.00 1.00 0.00 0.00 33.01 32.33 2jmu s GLN 138 CO 0.00 -0.51 0.30 -1.21 -2.12 0.00 0.00 175.29 171.75 2jmu s GLU 139 N 1.92 3.41 -0.79 2.91 0.41 -1.26 -5.00 118.70 120.30 2jmu s GLU 139 Ca 0.02 -0.67 -0.25 0.00 -0.41 0.00 0.00 54.97 53.65 2jmu s GLU 139 Cb -0.15 -2.92 -0.01 0.00 -1.78 0.00 0.00 34.13 29.27 2jmu s GLU 139 CO -0.07 0.49 1.71 -2.14 -0.49 0.00 0.00 175.26 174.76 2jmu s PRO 140 N -3.47 2.87 -0.57 0.39 0.02 -1.24 -4.79 135.00 128.21 2jmu s PRO 140 Ca 0.34 -0.11 -0.28 0.00 0.02 0.00 0.00 61.00 60.97 2jmu s PRO 140 Cb -0.10 -4.71 0.02 0.00 0.02 0.00 0.00 34.50 29.73 2jmu s PRO 140 CO 0.28 -2.73 1.27 -1.14 -0.33 0.00 0.00 177.00 174.36 2jmu s GLN 141 N 6.44 3.45 0.21 5.54 0.74 -1.26 -0.78 119.66 134.00 2jmu s GLN 141 Ca 0.58 0.33 0.08 0.00 0.05 0.00 0.00 55.36 56.41 2jmu s GLN 141 Cb -0.08 -4.05 -0.04 0.00 1.10 0.00 0.00 33.01 29.94 2jmu s GLN 141 CO 0.08 -1.76 0.01 -0.48 -0.55 0.00 0.00 175.29 172.59 2jmu s LEU 142 N 5.32 3.30 -0.08 3.68 0.05 0.42 -4.64 118.68 126.74 2jmu s LEU 142 Ca 0.46 -0.47 -0.02 0.00 0.05 0.00 0.00 54.13 54.15 2jmu s LEU 142 Cb -0.09 -1.90 -0.03 0.00 -2.05 0.00 0.00 46.19 42.12 2jmu s LEU 142 CO 0.25 0.05 0.03 -0.89 -0.55 0.00 0.00 176.35 175.24 2jmu s THR 143 N -1.94 4.50 -0.18 5.48 2.01 0.14 -0.25 115.64 125.39 2jmu s THR 143 Ca 0.29 -0.23 0.01 0.00 0.31 0.00 0.00 61.69 62.07 2jmu s THR 143 Cb -0.08 -2.93 0.04 0.00 0.01 0.00 0.00 72.50 69.54 2jmu s THR 143 CO 0.19 0.57 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.95 2jmu s ILE 144 N -0.95 1.56 -0.17 1.82 1.01 0.24 0.31 121.20 125.03 2jmu s ILE 144 Ca 0.15 -0.86 -0.05 0.00 0.00 0.00 0.00 60.65 59.89 2jmu s ILE 144 Cb -0.11 -1.60 -0.03 0.00 0.01 0.00 0.00 42.46 40.72 2jmu s ILE 144 CO 0.04 0.25 0.01 -0.62 0.00 0.00 0.00 174.94 174.62 2jmu s ASP 145 N 1.45 5.22 -0.24 3.58 2.15 0.56 0.65 116.67 130.05 2jmu s ASP 145 Ca 0.01 -0.02 -0.04 0.00 0.43 0.00 0.00 52.55 52.94 2jmu s ASP 145 Cb -0.15 -1.87 0.00 0.00 -0.30 0.00 0.00 42.92 40.61 2jmu s ASP 145 CO -0.09 0.18 -0.04 -0.76 -0.17 0.00 0.00 175.17 174.29 2jmu s LEU 146 N 0.33 3.07 -0.14 -1.34 1.02 0.16 -0.60 118.68 121.18 2jmu s LEU 146 Ca -0.00 -0.55 0.01 0.00 0.02 0.00 0.00 54.13 53.60 2jmu s LEU 146 Cb -0.13 -1.73 -0.01 0.00 0.02 0.00 0.00 46.19 44.34 2jmu s LEU 146 CO 0.02 -0.07 -0.16 -0.62 0.02 0.00 0.00 176.35 175.54 2jmu s ASP 147 N 1.44 3.70 0.13 2.29 2.15 -0.86 -0.10 116.67 125.42 2jmu s ASP 147 Ca 0.04 -0.43 0.01 0.00 0.43 0.00 0.00 52.55 52.60 2jmu s ASP 147 Cb -0.15 -1.56 -0.04 0.00 -0.30 0.00 0.00 42.92 40.87 2jmu s ASP 147 CO -0.03 0.13 -0.01 -0.94 -0.17 0.00 0.00 175.17 174.14 2jmu s SER 148 N 0.57 0.93 0.04 -0.34 1.04 0.12 0.25 113.70 116.31 2jmu s SER 148 Ca -0.10 -1.10 -0.05 0.00 0.48 0.00 0.00 55.95 55.18 2jmu s SER 148 Cb -0.16 0.15 -0.02 0.00 0.10 0.00 0.00 66.02 66.10 2jmu s SER 148 CO 0.04 -0.57 0.07 0.00 0.98 0.00 0.00 173.24 173.76 2jmu s ALA 149 N -3.75 0.03 0.21 5.32 0.00 0.32 -1.78 121.76 122.11 2jmu s ALA 149 Ca 0.18 -0.66 0.25 0.00 0.00 0.00 0.00 51.96 51.73 2jmu s ALA 149 Cb 0.06 0.26 1.07 0.00 0.00 0.00 0.00 23.12 24.52 2jmu s ALA 149 CO -0.01 -0.33 1.89 0.22 0.00 0.00 0.00 175.76 177.54 2jmu h ASP 150 N 3.60 0.00 0.00 0.00 3.58 -1.62 -2.54 116.42 119.44 2jmu h ASP 150 Ca -0.33 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.12 2jmu h ASP 150 Cb 1.18 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.23 2jmu h ASP 150 CO 0.52 0.19 0.00 0.49 -2.88 0.00 0.00 179.24 177.57 2jmu n PHE 151 N -3.43 0.00 -2.05 0.28 3.72 -1.26 -4.71 117.46 110.00 2jmu n PHE 151 Ca -0.00 -0.57 -0.02 0.00 -0.05 0.00 0.00 57.45 56.81 2jmu n PHE 151 Cb 0.38 -0.31 0.01 0.00 -0.94 0.00 0.00 39.48 38.62 2jmu n PHE 151 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2jmu n GLY 152 N 0.93 -0.23 3.17 1.37 0.00 -1.19 -5.02 105.19 104.23 2jmu n GLY 152 Ca 0.00 0.02 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 2jmu n GLY 152 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2jmu s TYR 153 N -3.06 -0.40 -0.17 1.61 5.04 -0.96 -4.98 117.35 114.42 2jmu s TYR 153 Ca 0.07 0.93 -0.08 0.00 -2.44 0.00 0.00 57.07 55.54 2jmu s TYR 153 Cb -0.01 0.13 0.07 0.00 0.35 0.00 0.00 41.96 42.50 2jmu s TYR 153 CO 0.25 -0.23 0.40 0.00 -1.34 0.00 0.00 175.55 174.63 2jmu s ALA 154 N 0.80 -1.02 0.20 3.97 0.00 -1.26 -0.52 121.76 123.93 2jmu s ALA 154 Ca -0.05 1.47 0.09 0.00 0.00 0.00 0.00 51.96 53.47 2jmu s ALA 154 Cb -0.06 -1.00 -0.04 0.00 0.00 0.00 0.00 23.12 22.01 2jmu s ALA 154 CO -0.05 -0.38 -0.18 0.54 0.00 0.00 0.00 175.76 175.68 2jmu s VAL 155 N 1.70 1.96 -0.01 0.00 0.11 0.14 -4.00 120.40 120.30 2jmu s VAL 155 Ca -0.07 -2.11 0.01 0.00 -2.93 0.00 0.00 61.98 56.88 2jmu s VAL 155 Cb -0.09 -2.01 0.01 0.00 -1.53 0.00 0.00 36.38 32.75 2jmu s VAL 155 CO -0.12 -0.40 -0.03 -0.83 -3.33 0.00 0.00 175.10 170.39 2jmu s GLY 156 N -3.02 0.22 -0.12 6.54 0.00 0.30 -2.03 107.32 109.22 2jmu s GLY 156 Ca 0.21 -0.07 0.00 0.00 0.00 0.00 0.00 44.72 44.86 2jmu s GLY 156 CO 0.08 0.09 -0.10 -0.54 0.00 0.00 0.00 173.10 172.63 2jmu s GLU 157 N 0.27 1.78 -0.29 2.90 2.02 0.23 -0.39 118.70 125.22 2jmu s GLU 157 Ca -0.03 -0.37 -0.09 0.00 0.02 0.00 0.00 54.97 54.51 2jmu s GLU 157 Cb -0.06 -1.71 -0.01 0.00 0.10 0.00 0.00 34.13 32.45 2jmu s GLU 157 CO -0.00 -0.21 0.12 0.08 0.02 0.00 0.00 175.26 175.27 2jmu s VAL 158 N 1.49 4.45 -0.21 2.63 1.01 0.10 -0.32 120.40 129.55 2jmu s VAL 158 Ca 0.02 -0.40 -0.01 0.00 0.00 0.00 0.00 61.98 61.59 2jmu s VAL 158 Cb -0.13 -3.23 0.01 0.00 0.00 0.00 0.00 36.38 33.03 2jmu s VAL 158 CO -0.07 0.13 -0.13 -0.70 0.00 0.00 0.00 175.10 174.34 2jmu s GLU 159 N 1.60 3.07 -0.03 2.72 2.12 0.15 -1.65 118.70 126.67 2jmu s GLU 159 Ca 0.05 -0.80 0.08 0.00 0.36 0.00 0.00 54.97 54.65 2jmu s GLU 159 Cb -0.17 -2.78 -0.02 0.00 0.26 0.00 0.00 34.13 31.42 2jmu s GLU 159 CO 0.05 -0.25 -0.25 0.00 -0.54 0.00 0.00 175.26 174.27 2jmu s ALA 160 N 1.35 2.18 -0.17 6.30 0.00 0.25 -0.69 121.76 130.97 2jmu s ALA 160 Ca 0.04 -1.10 -0.00 0.00 0.00 0.00 0.00 51.96 50.89 2jmu s ALA 160 Cb -0.14 -0.58 0.00 0.00 0.00 0.00 0.00 23.12 22.40 2jmu s ALA 160 CO -0.08 0.51 -0.14 -1.64 0.00 0.00 0.00 175.76 174.41 2jmu s MET 161 N -0.54 3.21 -0.11 0.00 -1.94 -1.25 -0.25 119.30 118.42 2jmu s MET 161 Ca 0.08 -0.74 -0.01 0.00 -1.71 0.00 0.00 55.69 53.31 2jmu s MET 161 Cb -0.11 -2.69 -0.03 0.00 2.01 0.00 0.00 34.83 34.02 2jmu s MET 161 CO -0.00 -0.07 -0.07 0.08 -0.01 0.00 0.00 175.02 174.95 2jmu s VAL 162 N 1.03 3.64 -1.23 -6.03 1.01 -0.19 -4.66 120.40 113.97 2jmu s VAL 162 Ca -0.01 -0.48 0.28 0.00 0.00 0.00 0.00 61.98 61.77 2jmu s VAL 162 Cb -0.15 -2.53 0.29 0.00 0.00 0.00 0.00 36.38 34.00 2jmu s VAL 162 CO -0.03 0.55 1.82 1.57 0.00 0.00 0.00 175.10 179.01 2jmu n HIS 163 N 2.87 0.00 -4.05 5.22 -0.00 -1.26 0.12 115.22 118.12 2jmu n HIS 163 Ca -0.18 0.00 -0.21 0.00 0.46 0.00 0.00 57.72 57.80 2jmu n HIS 163 Cb 0.53 -0.33 -0.17 0.00 -0.12 0.00 0.00 29.99 29.90 2jmu n HIS 163 CO 0.00 0.00 0.00 -1.83 0.46 0.00 0.00 176.34 174.97 2jmu s GLU 164 N -2.80 0.76 0.61 1.57 1.03 -1.26 -4.70 118.70 113.91 2jmu s GLU 164 Ca 0.19 -0.05 0.32 0.00 0.03 0.00 0.00 54.97 55.47 2jmu s GLU 164 Cb 0.19 -0.86 1.84 0.00 -0.80 0.00 0.00 34.13 34.50 2jmu s GLU 164 CO 0.54 -0.14 2.16 -0.22 -1.33 0.00 0.00 175.26 176.27 2jmu h LYS 165 N 7.48 0.00 -0.61 -4.83 1.63 -1.91 -2.21 116.57 116.12 2jmu h LYS 165 Ca -0.34 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.45 2jmu h LYS 165 Cb 1.14 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.74 2jmu h LYS 165 CO 0.42 0.00 0.31 0.00 -3.45 0.00 0.00 179.45 176.73 2jmu h ALA 166 N 1.81 1.41 -0.01 5.00 0.00 -1.95 -2.73 119.26 122.79 2jmu h ALA 166 Ca 0.04 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2jmu h ALA 166 Cb 0.32 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2jmu h ALA 166 CO -0.00 0.48 -0.15 0.39 0.00 0.00 0.00 179.25 179.97 2jmu n GLU 167 N -4.37 1.38 0.14 0.00 -0.58 -0.83 -4.44 120.64 111.93 2jmu n GLU 167 Ca 0.06 -0.90 -0.13 0.00 -0.42 0.00 0.00 57.16 55.76 2jmu n GLU 167 Cb 0.11 -1.48 -0.06 0.00 -0.57 0.00 0.00 31.44 29.44 2jmu n GLU 167 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2jmu h VAL 168 N 2.19 0.39 -0.02 2.62 2.07 -1.56 0.81 116.25 122.76 2jmu h VAL 168 Ca 0.00 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.47 2jmu h VAL 168 Cb 0.59 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 2jmu h VAL 168 CO 0.00 0.00 -0.23 -0.65 0.02 0.00 0.00 177.57 176.71 2jmu h PRO 169 N -0.53 0.03 0.14 1.57 0.11 -1.79 -0.94 132.00 130.59 2jmu h PRO 169 Ca 0.02 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.11 2jmu h PRO 169 Cb 0.53 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.64 2jmu h PRO 169 CO -0.13 0.26 -0.07 0.00 -0.21 0.00 0.00 178.00 177.86 2jmu h ALA 170 N 1.74 -0.18 -0.88 -0.75 0.00 -1.74 -2.69 119.26 114.77 2jmu h ALA 170 Ca 0.00 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.78 2jmu h ALA 170 Cb 0.42 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 2jmu h ALA 170 CO 0.03 -0.43 0.57 0.00 0.00 0.00 0.00 179.25 179.42 2jmu h ALA 171 N 0.28 1.47 -0.45 0.00 0.00 -0.57 -1.75 119.26 118.25 2jmu h ALA 171 Ca -0.02 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 54.93 2jmu h ALA 171 Cb 0.41 -0.30 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 2jmu h ALA 171 CO 0.03 0.43 0.07 1.25 0.00 0.00 0.00 179.25 181.03 2jmu h LEU 172 N 1.07 -0.04 -0.63 0.00 5.85 -1.06 0.12 115.31 120.62 2jmu h LEU 172 Ca 0.36 0.08 -0.15 0.00 0.84 0.00 0.00 57.88 59.01 2jmu h LEU 172 Cb 0.07 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 2jmu h LEU 172 CO -0.11 0.01 -0.54 -0.33 -0.34 0.00 0.00 178.44 177.13 2jmu h GLU 173 N 0.19 0.41 -0.93 1.25 4.39 -1.05 -1.96 114.58 116.88 2jmu h GLU 173 Ca 0.22 -0.25 0.00 0.00 0.34 0.00 0.00 59.36 59.67 2jmu h GLU 173 Cb 0.29 0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 28.92 2jmu h GLU 173 CO -0.31 0.85 0.60 0.87 -1.16 0.00 0.00 179.01 179.86 2jmu h LYS 174 N 0.31 1.24 -0.05 2.33 6.56 -0.55 -0.22 116.57 126.20 2jmu h LYS 174 Ca 0.01 -0.09 0.02 0.00 -1.06 0.00 0.00 60.65 59.53 2jmu h LYS 174 Cb 1.05 -0.27 -0.02 0.00 -0.57 0.00 0.00 32.23 32.41 2jmu h LYS 174 CO 0.09 0.83 -0.08 0.82 -2.06 0.00 0.00 179.45 179.06 2jmu h ILE 175 N 1.27 0.78 -0.98 1.86 2.04 -0.43 -0.38 117.51 121.67 2jmu h ILE 175 Ca 0.34 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.21 2jmu h ILE 175 Cb -0.12 0.78 -0.05 0.00 -0.74 0.00 0.00 36.82 36.69 2jmu h ILE 175 CO -0.07 0.00 0.65 0.40 0.00 0.00 0.00 178.15 179.13 2jmu h ILE 176 N -0.11 1.24 -0.16 -0.67 1.08 -0.99 0.92 117.51 118.82 2jmu h ILE 176 Ca 0.05 -0.45 -0.00 0.00 -0.39 0.00 0.00 64.86 64.06 2jmu h ILE 176 Cb 0.18 -0.19 -0.01 0.00 -3.07 0.00 0.00 36.82 33.73 2jmu h ILE 176 CO -0.12 0.24 0.08 0.74 -0.69 0.00 0.00 178.15 178.40 2jmu h THR 177 N 1.32 1.12 -0.67 -0.27 2.02 -0.61 0.61 112.91 116.43 2jmu h THR 177 Ca 0.36 -0.33 -0.04 0.00 0.77 0.00 0.00 66.41 67.17 2jmu h THR 177 Cb -0.14 1.04 -0.03 0.00 -1.74 0.00 0.00 68.15 67.29 2jmu h THR 177 CO -0.08 0.11 0.25 0.58 0.37 0.00 0.00 175.52 176.75 2jmu h VAL 178 N 0.14 1.24 -0.73 3.16 2.07 -0.60 -2.14 116.25 119.39 2jmu h VAL 178 Ca 0.05 -0.79 0.02 0.00 0.82 0.00 0.00 66.70 66.81 2jmu h VAL 178 Cb 0.10 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 30.33 2jmu h VAL 178 CO -0.01 0.31 0.46 0.28 0.02 0.00 0.00 177.57 178.64 2jmu h SER 179 N 0.96 0.78 -0.39 0.57 0.02 -0.55 -2.11 113.55 112.83 2jmu h SER 179 Ca 0.22 -0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 61.06 2jmu h SER 179 Cb 0.24 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 2jmu h SER 179 CO -0.01 0.54 -0.12 -1.28 -1.14 0.00 0.00 176.83 174.82 2jmu h SER 180 N 0.92 0.83 1.34 3.07 0.87 -0.51 -1.24 113.55 118.83 2jmu h SER 180 Ca 0.28 -0.26 -0.03 0.00 -1.23 0.00 0.00 61.79 60.56 2jmu h SER 180 Cb -0.02 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 61.71 2jmu h SER 180 CO -0.10 0.97 -0.12 0.00 -0.53 0.00 0.00 176.83 177.05 2jmu h MET 181 N 0.75 0.00 -0.00 2.24 -0.00 -0.99 -2.62 114.93 114.31 2jmu h MET 181 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.82 2jmu h MET 181 Cb 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.22 2jmu h MET 181 CO 0.04 0.12 -0.41 1.28 -0.00 0.00 0.00 176.91 177.94 2jmu n LEU 182 N -3.19 0.86 0.00 -0.10 4.77 -0.83 -5.02 117.00 113.49 2jmu n LEU 182 Ca 0.02 -0.20 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 2jmu n LEU 182 Cb 0.46 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 2jmu n LEU 182 CO 0.32 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 2jmu n GLY 183 N 1.42 -0.61 2.80 -0.72 0.00 -0.50 -0.90 105.19 106.68 2jmu n GLY 183 Ca 0.09 0.23 -0.22 0.00 0.00 0.00 0.00 46.02 46.12 2jmu n GLY 183 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jmu s VAL 184 N 0.00 0.39 0.42 1.61 1.01 -0.25 -4.45 120.40 119.13 2jmu s VAL 184 Ca 0.00 0.07 -0.26 0.00 0.00 0.00 0.00 61.98 61.79 2jmu s VAL 184 Cb 0.00 -0.52 -0.09 0.00 0.00 0.00 0.00 36.38 35.77 2jmu s VAL 184 CO 0.00 0.24 1.40 -2.16 0.00 0.00 0.00 175.10 174.58 2jmu s PRO 185 N 1.68 3.87 0.00 2.72 0.04 -1.26 0.26 135.00 142.32 2jmu s PRO 185 Ca 0.01 2.36 0.00 0.00 0.04 0.00 0.00 61.00 63.41 2jmu s PRO 185 Cb -0.13 -2.76 0.00 0.00 0.04 0.00 0.00 34.50 31.65 2jmu s PRO 185 CO -0.04 -0.64 0.00 0.00 0.04 0.00 0.00 177.00 176.36 2jmu n ALA 186 N 0.06 0.07 -1.00 8.56 0.00 0.14 -4.71 120.51 123.64 2jmu n ALA 186 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2jmu n ALA 186 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 2jmu n ALA 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jmu n GLN 187 N 0.00 0.00 0.00 0.00 10.64 -1.18 -4.93 117.38 121.91 2jmu n GLN 187 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 2jmu n GLN 187 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 2jmu n GLN 187 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32 2jmu n GLU 188 N -0.61 0.00 -0.16 2.61 2.13 -1.26 -2.91 120.64 120.44 2jmu n GLU 188 Ca 0.00 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.79 2jmu n GLU 188 Cb 0.00 0.00 0.03 0.00 0.27 0.00 0.00 31.44 31.74 2jmu n GLU 188 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 2jmu h GLU 189 N 0.00 -0.02 -3.98 5.31 5.08 -1.96 -3.42 114.58 115.58 2jmu h GLU 189 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2jmu h GLU 189 Cb 0.00 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 2jmu h GLU 189 CO 0.00 -0.02 -0.81 0.00 -1.00 0.00 0.00 179.01 177.18 2jmu n ALA 190 N -2.90 -2.79 -2.33 3.43 0.00 -1.26 -4.76 120.51 109.90 2jmu n ALA 190 Ca 0.05 0.83 -0.42 0.00 0.00 0.00 0.00 53.44 53.90 2jmu n ALA 190 Cb 0.28 -1.83 -0.03 0.00 0.00 0.00 0.00 19.45 17.87 2jmu n ALA 190 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2jmu s PRO 191 N -0.98 4.33 0.83 0.00 0.04 -1.26 -5.02 135.00 132.95 2jmu s PRO 191 Ca -0.08 1.84 -0.11 0.00 0.04 0.00 0.00 61.00 62.69 2jmu s PRO 191 Cb 0.01 -3.51 0.09 0.00 0.04 0.00 0.00 34.50 31.13 2jmu s PRO 191 CO 0.20 -0.47 1.09 0.00 0.04 0.00 0.00 177.00 177.87 2jmu s ALA 192 N 2.02 1.92 0.09 8.56 0.00 -1.26 -4.84 121.76 128.24 2jmu s ALA 192 Ca 0.60 0.18 -0.23 0.00 0.00 0.00 0.00 51.96 52.51 2jmu s ALA 192 Cb -0.29 -3.26 -0.15 0.00 0.00 0.00 0.00 23.12 19.42 2jmu s ALA 192 CO 0.26 -2.07 1.73 -0.22 0.00 0.00 0.00 175.76 175.46 2jmu h LYS 193 N -1.35 -0.02 0.00 0.00 1.63 -2.00 -0.10 116.57 114.73 2jmu h LYS 193 Ca -0.46 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.32 2jmu h LYS 193 Cb 1.25 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.88 2jmu h LYS 193 CO 0.52 -0.00 -0.12 -0.07 -3.45 0.00 0.00 179.45 176.32 2jmu h LEU 194 N -0.03 0.00 -1.70 5.20 3.38 -1.99 -2.34 115.31 117.83 2jmu h LEU 194 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2jmu h LEU 194 Cb 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2jmu h LEU 194 CO 0.00 0.12 -0.07 -0.03 0.09 0.00 0.00 178.44 178.55 2jmu h MET 195 N 0.00 0.10 -0.15 1.13 4.05 -1.40 0.26 114.93 118.93 2jmu h MET 195 Ca -0.00 -0.01 -0.15 0.00 -0.28 0.00 0.00 59.70 59.26 2jmu h MET 195 Cb 0.47 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.26 2jmu h MET 195 CO 0.02 0.18 -0.49 0.28 0.23 0.00 0.00 176.91 177.13 2jmu h VAL 196 N 0.10 1.34 -0.88 -5.77 2.07 -0.79 -0.56 116.25 111.77 2jmu h VAL 196 Ca 0.02 -1.76 0.11 0.00 0.82 0.00 0.00 66.70 65.90 2jmu h VAL 196 Cb 0.19 2.04 -0.08 0.00 -1.52 0.00 0.00 31.29 31.92 2jmu h VAL 196 CO 0.01 0.54 0.51 0.22 0.02 0.00 0.00 177.57 178.87 2jmu h TYR 197 N 0.24 0.92 0.34 1.57 3.20 -0.91 -0.80 116.97 121.52 2jmu h TYR 197 Ca -0.02 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.87 2jmu h TYR 197 Cb 1.11 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 39.11 2jmu h TYR 197 CO 0.10 0.34 -0.16 -0.07 -1.64 0.00 0.00 178.16 176.73 2jmu h LEU 198 N 0.81 -0.38 -1.68 2.82 3.38 -0.44 0.16 115.31 119.99 2jmu h LEU 198 Ca 0.44 -0.16 0.17 0.00 0.09 0.00 0.00 57.88 58.41 2jmu h LEU 198 Cb 0.45 0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.26 2jmu h LEU 198 CO -0.27 0.05 0.50 0.06 0.09 0.00 0.00 178.44 178.88 2jmu h GLN 199 N -0.93 0.30 0.08 1.13 3.07 -0.78 0.70 115.11 118.67 2jmu h GLN 199 Ca -0.05 -0.02 -0.00 0.00 0.09 0.00 0.00 58.65 58.67 2jmu h GLN 199 Cb 0.52 -0.07 0.00 0.00 0.08 0.00 0.00 27.48 28.02 2jmu h GLN 199 CO 0.08 0.20 -0.04 0.00 0.09 0.00 0.00 178.83 179.15 2jmu h ARG 200 N 0.31 -0.10 0.00 0.06 -0.00 -1.15 -3.40 114.38 110.10 2jmu h ARG 200 Ca 0.37 0.01 -0.37 0.00 -0.50 0.00 0.00 59.98 59.48 2jmu h ARG 200 Cb 0.98 0.02 -0.06 0.00 0.00 0.00 0.00 29.97 30.92 2jmu h ARG 200 CO -0.10 0.44 -2.35 1.19 0.00 0.00 0.00 179.97 179.16 2jmu n PHE 201 N -4.84 0.00 -3.59 3.04 3.01 0.57 -4.78 117.46 110.87 2jmu n PHE 201 Ca -0.08 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.11 2jmu n PHE 201 Cb 0.29 -0.90 -0.09 0.00 -0.01 0.00 0.00 39.48 38.77 2jmu n PHE 201 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 2jmu n ARG 202 N -3.43 2.19 0.20 -1.08 1.74 0.24 -4.92 116.66 111.60 2jmu n ARG 202 Ca -0.43 -4.54 0.06 0.00 -0.77 0.00 0.00 57.85 52.16 2jmu n ARG 202 Cb 0.92 -2.23 0.53 0.00 -1.02 0.00 0.00 32.46 30.66 2jmu n ARG 202 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 2jmu h PRO 203 N 4.63 0.08 -0.08 5.56 0.11 -1.64 -0.01 132.00 140.65 2jmu h PRO 203 Ca 0.18 -0.01 -0.20 0.00 0.11 0.00 0.00 66.00 66.07 2jmu h PRO 203 Cb 0.70 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.80 2jmu h PRO 203 CO 0.78 0.16 -0.79 -0.07 -0.21 0.00 0.00 178.00 177.87 2jmu h LEU 204 N 0.08 0.62 -0.49 2.35 -0.00 -1.91 0.15 115.31 116.11 2jmu h LEU 204 Ca 0.02 -0.42 -0.04 0.00 -0.00 0.00 0.00 57.88 57.44 2jmu h LEU 204 Cb 0.18 -0.19 -0.02 0.00 -0.00 0.00 0.00 40.66 40.63 2jmu h LEU 204 CO 0.01 1.19 0.15 0.44 -0.00 0.00 0.00 178.44 180.23 2jmu h ASP 205 N 0.34 0.72 0.03 -0.43 5.19 -1.64 -1.46 116.42 119.17 2jmu h ASP 205 Ca -0.05 -0.21 0.03 0.00 -0.62 0.00 0.00 57.03 56.18 2jmu h ASP 205 Cb 1.39 -0.19 -0.04 0.00 0.18 0.00 0.00 39.33 40.67 2jmu h ASP 205 CO 0.14 0.73 -0.22 0.22 -3.12 0.00 0.00 179.24 176.99 2jmu h TYR 206 N 0.66 -0.59 -0.23 4.55 3.20 -0.87 -1.59 116.97 122.10 2jmu h TYR 206 Ca 0.16 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 2jmu h TYR 206 Cb 0.27 0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.79 2jmu h TYR 206 CO 0.01 -0.31 0.10 1.96 -1.64 0.00 0.00 178.16 178.28 2jmu h GLN 207 N -0.37 0.35 -0.73 1.82 4.20 -0.57 0.53 115.11 120.34 2jmu h GLN 207 Ca 0.05 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2jmu h GLN 207 Cb 0.43 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.12 2jmu h GLN 207 CO -0.18 0.38 0.47 0.00 -0.67 0.00 0.00 178.83 178.82 2jmu h ARG 208 N 0.23 0.96 -0.07 1.46 -0.00 -1.17 0.23 114.38 116.03 2jmu h ARG 208 Ca 0.08 -0.07 -0.04 0.00 -0.50 0.00 0.00 59.98 59.45 2jmu h ARG 208 Cb 0.16 -0.21 0.00 0.00 0.00 0.00 0.00 29.97 29.91 2jmu h ARG 208 CO -0.01 0.65 -0.13 -0.07 0.00 0.00 0.00 179.97 180.42 2jmu h LEU 209 N 0.99 0.24 0.27 3.04 4.07 -1.08 -3.22 115.31 119.62 2jmu h LEU 209 Ca 0.26 -0.55 -0.01 0.00 0.08 0.00 0.00 57.88 57.67 2jmu h LEU 209 Cb -0.09 -0.07 -0.00 0.00 1.08 0.00 0.00 40.66 41.58 2jmu h LEU 209 CO -0.06 0.74 -0.15 0.25 -1.08 0.00 0.00 178.44 178.14 2jmu h LEU 210 N -0.26 -0.38 -1.65 1.67 5.85 0.73 0.10 115.31 121.37 2jmu h LEU 210 Ca 0.00 0.02 0.13 0.00 0.84 0.00 0.00 57.88 58.87 2jmu h LEU 210 Cb 0.70 0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.79 2jmu h LEU 210 CO 0.03 -0.25 0.44 -0.33 -0.34 0.00 0.00 178.44 177.99 2jmu h GLU 211 N -0.40 0.36 0.00 1.25 4.39 -0.71 0.80 114.58 120.26 2jmu h GLU 211 Ca -0.03 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.61 2jmu h GLU 211 Cb 0.33 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 2jmu h GLU 211 CO 0.04 0.24 -0.75 0.00 -1.16 0.00 0.00 179.01 177.38 2jmu h ALA 212 N 1.68 0.68 0.00 3.43 0.00 -1.44 -3.35 119.26 120.25 2jmu h ALA 212 Ca 0.32 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2jmu h ALA 212 Cb 0.73 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2jmu h ALA 212 CO -0.09 0.21 -1.42 0.00 0.00 0.00 0.00 179.25 177.96 2jmu n ALA 213 N -2.20 2.95 -2.11 0.00 0.00 0.30 -4.84 120.51 114.61 2jmu n ALA 213 Ca -0.00 -0.38 -0.29 0.00 0.00 0.00 0.00 53.44 52.77 2jmu n ALA 213 Cb 0.61 -0.53 -0.05 0.00 0.00 0.00 0.00 19.45 19.48 2jmu n ALA 213 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2jmu s SER 214 N -3.38 5.31 0.00 0.00 0.15 0.26 -4.27 113.70 111.77 2jmu s SER 214 Ca -0.02 -0.86 0.00 0.00 0.70 0.00 0.00 55.95 55.77 2jmu s SER 214 Cb 0.10 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.85 2jmu s SER 214 CO 0.63 -2.61 0.00 -0.24 1.20 0.00 0.00 173.24 172.22 2jmu n SER 215 N 13.37 1.43 -0.85 5.45 2.88 -1.26 -4.97 113.62 129.67 2jmu n SER 215 Ca 0.40 -0.06 0.00 0.00 -1.33 0.00 0.00 58.87 57.88 2jmu n SER 215 Cb 0.47 0.40 0.00 0.00 -0.75 0.00 0.00 64.21 64.34 2jmu n SER 215 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jmu n GLY 216 N 0.83 0.06 3.51 0.46 0.00 -1.26 -4.97 105.19 103.82 2jmu n GLY 216 Ca 0.00 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.21 2jmu n GLY 216 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jmu s GLU 217 N -1.83 3.49 -0.49 1.61 2.12 -1.26 -4.94 118.70 117.39 2jmu s GLU 217 Ca 0.00 -1.19 -0.13 0.00 0.36 0.00 0.00 54.97 54.01 2jmu s GLU 217 Cb 0.00 -4.94 0.11 0.00 0.26 0.00 0.00 34.13 29.56 2jmu s GLU 217 CO 0.00 -2.02 0.41 0.00 -0.54 0.00 0.00 175.26 173.11 2jmu s ALA 218 N 4.22 3.52 0.10 6.30 0.00 -1.26 -4.97 121.76 129.66 2jmu s ALA 218 Ca 0.38 -2.41 -0.15 0.00 0.00 0.00 0.00 51.96 49.77 2jmu s ALA 218 Cb -0.04 -3.04 0.03 0.00 0.00 0.00 0.00 23.12 20.07 2jmu s ALA 218 CO -0.05 -1.89 0.37 -0.08 0.00 0.00 0.00 175.76 174.11 2jmu s THR 219 N 1.52 0.08 0.00 0.00 -1.32 -1.26 -5.00 115.64 109.66 2jmu s THR 219 Ca 0.04 -0.64 0.00 0.00 -1.21 0.00 0.00 61.69 59.88 2jmu s THR 219 Cb -0.27 -1.12 0.00 0.00 -1.51 0.00 0.00 72.50 69.60 2jmu s THR 219 CO 0.03 -0.35 0.00 0.61 -2.21 0.00 0.00 174.62 172.69 2jmu n GLY 220 N 0.02 0.02 1.11 6.08 0.00 -1.26 -5.13 105.19 106.02 2jmu n GLY 220 Ca -0.17 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2jmu n GLY 220 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jmu n ASP 221 N -0.98 -4.52 -4.42 1.61 2.03 -1.26 -4.86 116.55 104.15 2jmu n ASP 221 Ca 0.00 0.51 -0.50 0.00 0.52 0.00 0.00 54.79 55.32 2jmu n ASP 221 Cb 0.00 -2.47 -0.08 0.00 -0.72 0.00 0.00 41.12 37.85 2jmu n ASP 221 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2jmu n SER 222 N 0.68 1.72 -3.95 1.67 7.64 -1.26 -4.69 113.62 115.43 2jmu n SER 222 Ca 0.00 0.37 -0.43 0.00 1.01 0.00 0.00 58.87 59.83 2jmu n SER 222 Cb 0.00 -1.19 0.01 0.00 -1.01 0.00 0.00 64.21 62.02 2jmu n SER 222 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jmu n ALA 223 N 9.91 5.28 -1.56 -0.43 0.00 -1.26 -4.61 120.51 127.85 2jmu n ALA 223 Ca 0.46 -4.69 0.00 0.00 0.00 0.00 0.00 53.44 49.21 2jmu n ALA 223 Cb 0.18 -2.49 0.00 0.00 0.00 0.00 0.00 19.45 17.14 2jmu n ALA 223 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37