#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m1i s PRO 11 N 0.00 4.45 -0.15 7.34 0.04 -1.26 -4.87 135.00 140.55 3m1i s PRO 11 Ca 0.00 2.02 -0.01 0.00 0.04 0.00 0.00 61.00 63.05 3m1i s PRO 11 Cb 0.00 -3.16 -0.01 0.00 0.04 0.00 0.00 34.50 31.37 3m1i s PRO 11 CO 0.00 -0.10 -0.11 0.99 0.04 0.00 0.00 177.00 177.82 3m1i s THR 12 N -0.60 3.14 -0.13 1.26 2.01 -1.26 -1.78 115.64 118.27 3m1i s THR 12 Ca 0.51 -0.61 0.01 0.00 0.31 0.00 0.00 61.69 61.91 3m1i s THR 12 Cb -0.36 -2.35 -0.01 0.00 0.01 0.00 0.00 72.50 69.80 3m1i s THR 12 CO 0.43 0.50 -0.17 -0.36 -0.69 0.00 0.00 174.62 174.34 3m1i s PHE 13 N 0.65 2.74 -0.05 4.92 0.08 -0.25 -4.94 117.98 121.13 3m1i s PHE 13 Ca -0.06 -0.92 -0.30 0.00 0.12 0.00 0.00 56.93 55.77 3m1i s PHE 13 Cb -0.15 -1.83 -0.03 0.00 -0.57 0.00 0.00 43.02 40.43 3m1i s PHE 13 CO 0.02 -0.38 1.16 0.21 -0.10 0.00 0.00 175.22 176.14 3m1i s LYS 14 N 0.56 4.38 -0.17 0.44 2.20 -1.26 -0.73 119.74 125.16 3m1i s LYS 14 Ca -0.10 1.64 0.00 0.00 -0.36 0.00 0.00 55.97 57.15 3m1i s LYS 14 Cb -0.16 -3.53 0.00 0.00 -1.51 0.00 0.00 37.83 32.64 3m1i s LYS 14 CO 0.04 -0.39 -0.16 -1.17 -0.36 0.00 0.00 175.35 173.31 3m1i s LEU 15 N 2.00 2.39 -0.13 5.43 0.20 0.00 -0.44 118.68 128.13 3m1i s LEU 15 Ca 0.55 -0.52 -0.04 0.00 0.69 0.00 0.00 54.13 54.80 3m1i s LEU 15 Cb -0.24 -1.55 -0.04 0.00 -0.43 0.00 0.00 46.19 43.93 3m1i s LEU 15 CO 0.23 0.05 0.03 0.68 -0.29 0.00 0.00 176.35 177.04 3m1i s VAL 16 N 1.03 4.49 -0.23 1.68 -7.23 -0.77 0.11 120.40 119.48 3m1i s VAL 16 Ca -0.01 -0.16 -0.03 0.00 -1.81 0.00 0.00 61.98 59.96 3m1i s VAL 16 Cb -0.15 -2.95 -0.00 0.00 0.56 0.00 0.00 36.38 33.84 3m1i s VAL 16 CO -0.04 0.54 -0.05 -0.22 -0.31 0.00 0.00 175.10 175.02 3m1i s LEU 17 N -0.25 2.94 0.17 1.32 2.96 -0.53 -1.62 118.68 123.66 3m1i s LEU 17 Ca 0.07 -0.48 0.03 0.00 -0.22 0.00 0.00 54.13 53.53 3m1i s LEU 17 Cb -0.12 -1.72 -0.05 0.00 0.50 0.00 0.00 46.19 44.80 3m1i s LEU 17 CO 0.02 -0.04 -0.05 0.68 -1.32 0.00 0.00 176.35 175.63 3m1i s VAL 18 N 1.45 0.99 0.00 1.68 -7.23 -0.63 -2.33 120.40 114.32 3m1i s VAL 18 Ca 0.05 -2.03 0.00 0.00 -1.81 0.00 0.00 61.98 58.19 3m1i s VAL 18 Cb -0.15 -2.00 0.00 0.00 0.56 0.00 0.00 36.38 34.79 3m1i s VAL 18 CO -0.04 -0.61 0.00 0.61 -0.31 0.00 0.00 175.10 174.76 3m1i n GLY 19 N -0.24 2.99 3.71 2.32 0.00 -1.26 -0.35 105.19 112.35 3m1i n GLY 19 Ca -0.08 -1.44 -0.31 0.00 0.00 0.00 0.00 46.02 44.19 3m1i n GLY 19 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3m1i s ASP 20 N 0.00 3.51 0.20 1.61 1.11 -1.25 -4.07 116.67 117.78 3m1i s ASP 20 Ca 0.00 2.12 -0.32 0.00 0.18 0.00 0.00 52.55 54.52 3m1i s ASP 20 Cb 0.00 -2.56 -0.14 0.00 1.07 0.00 0.00 42.92 41.29 3m1i s ASP 20 CO 0.00 -2.71 1.38 0.61 1.18 0.00 0.00 175.17 175.63 3m1i n GLY 21 N -0.14 0.66 2.12 0.21 0.00 -1.22 -2.68 105.19 104.14 3m1i n GLY 21 Ca 0.11 0.55 0.00 0.00 0.00 0.00 0.00 46.02 46.68 3m1i n GLY 21 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m1i n GLY 22 N 2.37 0.85 0.18 -0.02 0.00 -1.26 -4.91 105.19 102.40 3m1i n GLY 22 Ca 0.14 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.28 3m1i n GLY 22 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3m1i h THR 23 N 0.00 0.00 0.00 2.61 1.35 -1.87 -3.47 112.91 111.53 3m1i h THR 23 Ca 0.00 -0.86 0.00 0.00 -0.55 0.00 0.00 66.41 65.00 3m1i h THR 23 Cb 0.00 1.82 0.00 0.00 -1.73 0.00 0.00 68.15 68.24 3m1i h THR 23 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 3m1i n GLY 24 N 1.16 1.85 0.24 5.82 0.00 -1.26 -4.64 105.19 108.35 3m1i n GLY 24 Ca 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 3m1i n GLY 24 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3m1i h LYS 25 N 0.00 -0.35 -0.16 1.61 1.57 -1.91 -0.51 116.57 116.82 3m1i h LYS 25 Ca 0.00 0.02 -0.20 0.00 -1.87 0.00 0.00 60.65 58.60 3m1i h LYS 25 Cb 0.00 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.39 3m1i h LYS 25 CO 0.00 -0.23 -0.70 1.15 -0.57 0.00 0.00 179.45 179.09 3m1i h THR 26 N -0.36 1.30 -0.45 -0.16 2.02 -1.96 -2.00 112.91 111.29 3m1i h THR 26 Ca 0.04 -1.95 0.05 0.00 0.77 0.00 0.00 66.41 65.32 3m1i h THR 26 Cb 0.40 1.92 -0.04 0.00 -1.74 0.00 0.00 68.15 68.69 3m1i h THR 26 CO -0.14 0.61 0.20 0.74 0.37 0.00 0.00 175.52 177.30 3m1i h THR 27 N 0.49 0.91 -0.47 3.16 2.02 -1.91 -0.75 112.91 116.37 3m1i h THR 27 Ca -0.03 -0.14 -0.04 0.00 0.77 0.00 0.00 66.41 66.97 3m1i h THR 27 Cb 1.31 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 68.18 3m1i h THR 27 CO 0.14 0.07 0.12 0.15 0.37 0.00 0.00 175.52 176.37 3m1i h PHE 28 N 0.40 0.79 -0.58 3.16 3.57 -0.94 -0.97 116.94 122.36 3m1i h PHE 28 Ca 0.21 -0.09 -0.04 0.00 3.53 0.00 0.00 57.97 61.57 3m1i h PHE 28 Cb 0.16 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.65 3m1i h PHE 28 CO -0.13 0.71 0.19 0.28 -2.23 0.00 0.00 178.31 177.13 3m1i h VAL 29 N 0.63 1.24 -0.49 1.41 2.07 -1.02 -2.38 116.25 117.71 3m1i h VAL 29 Ca 0.15 -0.80 -0.13 0.00 0.82 0.00 0.00 66.70 66.73 3m1i h VAL 29 Cb 0.32 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 3m1i h VAL 29 CO 0.00 0.30 -0.21 0.11 0.02 0.00 0.00 177.57 177.80 3m1i h LYS 30 N 0.81 1.01 -0.58 1.57 1.57 -1.05 0.10 116.57 120.00 3m1i h LYS 30 Ca 0.19 -0.43 0.11 0.00 -1.87 0.00 0.00 60.65 58.65 3m1i h LYS 30 Cb 0.28 -0.04 -0.08 0.00 0.08 0.00 0.00 32.23 32.47 3m1i h LYS 30 CO -0.01 1.11 0.13 -0.09 -0.57 0.00 0.00 179.45 180.02 3m1i h ARG 31 N 0.87 0.26 -0.44 3.15 2.43 -1.06 -0.09 114.38 119.50 3m1i h ARG 31 Ca 0.11 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.16 3m1i h ARG 31 Cb 0.79 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.26 3m1i h ARG 31 CO 0.07 0.17 -0.17 0.45 -1.51 0.00 0.00 179.97 178.98 3m1i h HIS 32 N 0.27 0.94 0.10 2.20 3.86 -0.85 -1.14 115.15 120.53 3m1i h HIS 32 Ca 0.30 -0.20 -0.00 0.00 -1.16 0.00 0.00 60.37 59.31 3m1i h HIS 32 Cb 0.43 -0.23 0.00 0.00 1.06 0.00 0.00 27.41 28.68 3m1i h HIS 32 CO -0.24 0.94 -0.05 -0.07 0.86 0.00 0.00 177.93 179.38 3m1i h LEU 33 N 0.74 -0.11 -0.02 2.43 -0.00 -0.64 -3.41 115.31 114.30 3m1i h LEU 33 Ca 0.11 -0.26 0.00 0.00 -0.00 0.00 0.00 57.88 57.74 3m1i h LEU 33 Cb 0.69 0.03 0.00 0.00 -0.00 0.00 0.00 40.66 41.37 3m1i h LEU 33 CO 0.05 0.20 0.00 0.35 -0.00 0.00 0.00 178.44 179.04 3m1i n THR 34 N -5.01 0.00 -0.09 0.22 -2.24 -0.06 -5.00 114.28 102.10 3m1i n THR 34 Ca -0.08 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 3m1i n THR 34 Cb 0.19 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.43 3m1i n THR 34 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3m1i n GLY 35 N 0.70 0.89 3.88 3.38 0.00 -0.43 -5.04 105.19 108.57 3m1i n GLY 35 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3m1i n GLY 35 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3m1i s GLU 36 N -0.68 3.20 -0.31 1.61 -1.05 -1.25 -4.86 118.70 115.36 3m1i s GLU 36 Ca 0.00 0.54 0.03 0.00 -0.15 0.00 0.00 54.97 55.39 3m1i s GLU 36 Cb 0.00 -2.08 0.08 0.00 -0.44 0.00 0.00 34.13 31.69 3m1i s GLU 36 CO 0.00 -0.78 -0.01 0.12 0.95 0.00 0.00 175.26 175.54 3m1i s PHE 37 N -3.23 3.56 -0.30 4.83 5.36 -1.26 -3.44 117.98 123.50 3m1i s PHE 37 Ca 0.56 -2.70 -0.29 0.00 -0.96 0.00 0.00 56.93 53.54 3m1i s PHE 37 Cb -0.11 -2.53 0.01 0.00 -0.34 0.00 0.00 43.02 40.05 3m1i s PHE 37 CO 0.52 -0.92 1.15 -2.00 -1.46 0.00 0.00 175.22 172.51 3m1i s GLU 38 N 0.99 4.03 0.15 10.12 2.56 -1.26 -4.92 118.70 130.38 3m1i s GLU 38 Ca 0.03 1.16 0.07 0.00 0.00 0.00 0.00 54.97 56.23 3m1i s GLU 38 Cb -0.20 -3.78 -0.09 0.00 2.00 0.00 0.00 34.13 32.07 3m1i s GLU 38 CO -0.07 -0.95 1.35 0.87 -0.56 0.00 0.00 175.26 175.90 3m1i h LYS 39 N 8.44 0.02 -6.89 4.30 1.57 -2.01 -3.47 116.57 118.52 3m1i h LYS 39 Ca -0.22 -0.03 -0.48 0.00 -1.87 0.00 0.00 60.65 58.05 3m1i h LYS 39 Cb 1.07 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.38 3m1i h LYS 39 CO 1.03 0.93 0.20 0.15 -0.57 0.00 0.00 179.45 181.19 3m1i s LYS 40 N -2.92 4.03 -0.44 3.15 1.02 -1.26 -5.03 119.74 118.29 3m1i s LYS 40 Ca 0.00 0.80 -0.17 0.00 0.02 0.00 0.00 55.97 56.62 3m1i s LYS 40 Cb 0.10 -2.32 0.03 0.00 -0.52 0.00 0.00 37.83 35.13 3m1i s LYS 40 CO 0.81 0.03 0.46 -0.47 -0.92 0.00 0.00 175.35 175.26 3m1i s TYR 41 N -2.17 3.16 -0.31 3.18 5.04 -1.26 -5.02 117.35 119.98 3m1i s TYR 41 Ca 0.57 -0.45 0.02 0.00 -2.44 0.00 0.00 57.07 54.76 3m1i s TYR 41 Cb -0.10 -3.02 0.08 0.00 0.35 0.00 0.00 41.96 39.27 3m1i s TYR 41 CO 0.20 -0.76 -0.01 0.42 -1.34 0.00 0.00 175.55 174.05 3m1i s ILE 42 N 2.16 2.40 0.35 3.14 1.01 -1.26 -5.09 121.20 123.92 3m1i s ILE 42 Ca 0.12 -1.90 -0.28 0.00 0.00 0.00 0.00 60.65 58.58 3m1i s ILE 42 Cb -0.18 -2.56 -0.12 0.00 0.01 0.00 0.00 42.46 39.61 3m1i s ILE 42 CO 0.13 -0.30 1.36 0.00 0.00 0.00 0.00 174.94 176.13 3m1i n ALA 43 N 4.40 1.67 -1.75 9.38 0.00 -1.26 -4.94 120.51 128.00 3m1i n ALA 43 Ca -0.06 0.36 -0.34 0.00 0.00 0.00 0.00 53.44 53.39 3m1i n ALA 43 Cb 0.42 -2.31 -0.01 0.00 0.00 0.00 0.00 19.45 17.55 3m1i n ALA 43 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3m1i s THR 44 N -1.07 3.63 -0.25 0.00 2.01 -1.26 -5.03 115.64 113.67 3m1i s THR 44 Ca 0.55 0.95 -0.00 0.00 0.31 0.00 0.00 61.69 63.50 3m1i s THR 44 Cb -0.54 -3.39 0.04 0.00 0.01 0.00 0.00 72.50 68.62 3m1i s THR 44 CO 0.62 -0.28 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.56 3m1i s ILE 45 N -2.05 2.63 0.00 1.82 1.01 -1.26 -4.62 121.20 118.73 3m1i s ILE 45 Ca 0.68 -1.22 0.00 0.00 0.00 0.00 0.00 60.65 60.11 3m1i s ILE 45 Cb -0.18 -2.39 0.00 0.00 0.01 0.00 0.00 42.46 39.90 3m1i s ILE 45 CO 0.26 0.14 0.00 0.61 0.00 0.00 0.00 174.94 175.95 3m1i n GLY 46 N 4.60 1.81 3.30 6.18 0.00 0.48 -4.70 105.19 116.86 3m1i n GLY 46 Ca -0.16 -0.04 -0.14 0.00 0.00 0.00 0.00 46.02 45.69 3m1i n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3m1i s VAL 47 N 0.00 0.05 0.03 1.61 0.11 -1.26 -0.88 120.40 120.06 3m1i s VAL 47 Ca 0.00 -0.43 0.08 0.00 -2.93 0.00 0.00 61.98 58.69 3m1i s VAL 47 Cb 0.00 -0.78 -0.02 0.00 -1.53 0.00 0.00 36.38 34.04 3m1i s VAL 47 CO 0.00 -0.24 -0.22 -1.61 -3.33 0.00 0.00 175.10 169.70 3m1i s GLU 48 N -1.72 1.56 -0.18 1.54 2.02 0.12 -4.96 118.70 117.08 3m1i s GLU 48 Ca -0.10 -0.94 -0.05 0.00 0.02 0.00 0.00 54.97 53.89 3m1i s GLU 48 Cb -0.03 -1.65 -0.03 0.00 0.10 0.00 0.00 34.13 32.52 3m1i s GLU 48 CO 0.03 0.43 0.00 0.08 0.02 0.00 0.00 175.26 175.82 3m1i s VAL 49 N -0.74 4.14 -0.08 2.63 1.01 -1.26 -1.13 120.40 124.98 3m1i s VAL 49 Ca 0.09 -0.26 -0.01 0.00 0.00 0.00 0.00 61.98 61.80 3m1i s VAL 49 Cb -0.09 -2.85 0.03 0.00 0.00 0.00 0.00 36.38 33.46 3m1i s VAL 49 CO 0.01 0.46 -0.02 -1.00 0.00 0.00 0.00 175.10 174.55 3m1i s HIS 50 N 0.63 0.86 0.31 5.22 3.76 -0.08 -4.93 115.29 121.07 3m1i s HIS 50 Ca -0.00 -0.30 -0.29 0.00 -0.15 0.00 0.00 55.06 54.31 3m1i s HIS 50 Cb -0.14 -0.89 -0.11 0.00 1.11 0.00 0.00 32.58 32.55 3m1i s HIS 50 CO 0.02 -0.36 1.46 -1.25 -0.85 0.00 0.00 174.74 173.76 3m1i s PRO 51 N 1.83 4.21 -0.05 8.40 0.04 -1.26 -1.49 135.00 146.68 3m1i s PRO 51 Ca 0.04 2.42 -0.02 0.00 0.04 0.00 0.00 61.00 63.48 3m1i s PRO 51 Cb -0.12 -3.05 0.04 0.00 0.04 0.00 0.00 34.50 31.40 3m1i s PRO 51 CO -0.06 -0.45 0.09 -1.17 0.04 0.00 0.00 177.00 175.46 3m1i s LEU 52 N -1.12 0.61 0.09 -3.56 2.96 0.46 -4.94 118.68 113.18 3m1i s LEU 52 Ca 0.56 0.18 0.09 0.00 -0.22 0.00 0.00 54.13 54.75 3m1i s LEU 52 Cb -0.44 0.12 -0.04 0.00 0.50 0.00 0.00 46.19 46.33 3m1i s LEU 52 CO 0.51 -0.18 -0.21 -0.44 -1.32 0.00 0.00 176.35 174.71 3m1i s SER 53 N 1.49 3.63 0.04 3.68 0.01 -1.26 0.29 113.70 121.59 3m1i s SER 53 Ca -0.05 -0.58 0.06 0.00 1.31 0.00 0.00 55.95 56.70 3m1i s SER 53 Cb -0.12 -0.45 -0.02 0.00 0.21 0.00 0.00 66.02 65.64 3m1i s SER 53 CO -0.04 0.21 -0.17 -0.36 0.41 0.00 0.00 173.24 173.28 3m1i s PHE 54 N -1.02 1.50 -0.10 2.43 0.08 0.12 -4.99 117.98 116.00 3m1i s PHE 54 Ca 0.15 -0.36 -0.24 0.00 0.12 0.00 0.00 56.93 56.60 3m1i s PHE 54 Cb -0.10 -0.89 -0.03 0.00 -0.57 0.00 0.00 43.02 41.42 3m1i s PHE 54 CO 0.07 0.07 0.72 0.71 -0.10 0.00 0.00 175.22 176.69 3m1i s TYR 55 N -0.83 3.53 0.31 0.36 2.02 -1.26 -0.87 117.35 120.61 3m1i s TYR 55 Ca 0.04 1.23 0.05 0.00 -0.37 0.00 0.00 57.07 58.02 3m1i s TYR 55 Cb -0.08 -2.85 -0.06 0.00 -0.40 0.00 0.00 41.96 38.57 3m1i s TYR 55 CO 0.02 -0.00 0.00 0.95 -1.57 0.00 0.00 175.55 174.95 3m1i s THR 56 N 1.16 1.42 -2.00 -0.71 -4.23 -0.56 -1.43 115.64 109.29 3m1i s THR 56 Ca 0.37 -2.05 0.11 0.00 -1.18 0.00 0.00 61.69 58.94 3m1i s THR 56 Cb -0.17 -2.64 0.31 0.00 1.34 0.00 0.00 72.50 71.33 3m1i s THR 56 CO 0.17 -0.14 1.07 -0.46 -0.54 0.00 0.00 174.62 174.71 3m1i n ASN 57 N -0.65 0.00 -0.69 3.99 6.94 -0.80 -1.22 115.26 122.84 3m1i n ASN 57 Ca -0.04 -0.53 0.08 0.00 -0.02 0.00 0.00 54.58 54.07 3m1i n ASN 57 Cb 0.65 0.00 0.23 0.00 -2.36 0.00 0.00 39.78 38.30 3m1i n ASN 57 CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 177.26 176.72 3m1i n PHE 58 N -0.89 0.70 -0.46 -2.53 3.72 -1.26 -5.01 117.46 111.73 3m1i n PHE 58 Ca 0.08 -0.95 0.00 0.00 -0.05 0.00 0.00 57.45 56.54 3m1i n PHE 58 Cb 0.04 -0.28 0.00 0.00 -0.94 0.00 0.00 39.48 38.30 3m1i n PHE 58 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3m1i n GLY 59 N -0.79 -3.05 3.74 1.37 0.00 -0.35 -4.92 105.19 101.19 3m1i n GLY 59 Ca 0.20 -1.84 -0.41 0.00 0.00 0.00 0.00 46.02 43.98 3m1i n GLY 59 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3m1i s GLU 60 N -0.74 4.67 0.05 1.61 2.12 -1.26 -1.50 118.70 123.65 3m1i s GLU 60 Ca 0.00 1.57 0.09 0.00 0.36 0.00 0.00 54.97 56.99 3m1i s GLU 60 Cb 0.00 -3.32 -0.03 0.00 0.26 0.00 0.00 34.13 31.04 3m1i s GLU 60 CO 0.00 0.19 -0.26 0.96 -0.54 0.00 0.00 175.26 175.61 3m1i s ILE 61 N -0.25 2.12 -0.04 -3.70 -4.36 -0.05 -4.45 121.20 110.48 3m1i s ILE 61 Ca 0.47 -1.39 0.05 0.00 -0.26 0.00 0.00 60.65 59.52 3m1i s ILE 61 Cb -0.26 -1.81 -0.01 0.00 1.25 0.00 0.00 42.46 41.63 3m1i s ILE 61 CO 0.32 0.35 -0.19 -0.75 0.24 0.00 0.00 174.94 174.91 3m1i s LYS 62 N -1.26 1.84 -0.07 0.37 2.36 -0.74 -0.70 119.74 121.54 3m1i s LYS 62 Ca 0.12 -0.68 0.04 0.00 -2.55 0.00 0.00 55.97 52.89 3m1i s LYS 62 Cb -0.10 -1.64 -0.02 0.00 -1.05 0.00 0.00 37.83 35.02 3m1i s LYS 62 CO 0.02 0.32 -0.18 -0.06 1.55 0.00 0.00 175.35 177.00 3m1i s PHE 63 N -0.15 2.63 -0.34 4.03 0.08 0.14 -1.10 117.98 123.28 3m1i s PHE 63 Ca -0.00 -0.46 -0.15 0.00 0.12 0.00 0.00 56.93 56.43 3m1i s PHE 63 Cb -0.11 -1.67 -0.01 0.00 -0.57 0.00 0.00 43.02 40.66 3m1i s PHE 63 CO 0.01 -0.04 0.38 -0.51 -0.10 0.00 0.00 175.22 174.96 3m1i s ASP 64 N -0.29 6.19 -0.36 1.36 1.01 0.09 -0.40 116.67 124.27 3m1i s ASP 64 Ca 0.01 -0.21 -0.15 0.00 0.71 0.00 0.00 52.55 52.91 3m1i s ASP 64 Cb -0.13 -2.20 -0.01 0.00 1.01 0.00 0.00 42.92 41.59 3m1i s ASP 64 CO 0.03 -0.35 0.32 -0.69 0.21 0.00 0.00 175.17 174.68 3m1i s VAL 65 N 2.06 5.21 -0.61 -1.27 1.01 -0.56 -0.82 120.40 125.43 3m1i s VAL 65 Ca 0.12 -0.19 -0.18 0.00 0.00 0.00 0.00 61.98 61.73 3m1i s VAL 65 Cb -0.16 -3.83 0.12 0.00 0.00 0.00 0.00 36.38 32.50 3m1i s VAL 65 CO 0.12 -0.14 0.69 0.26 0.00 0.00 0.00 175.10 176.03 3m1i s TRP 66 N 1.89 3.09 -0.56 5.22 0.52 0.12 -0.90 118.94 128.31 3m1i s TRP 66 Ca 0.09 -1.10 -0.23 0.00 0.02 0.00 0.00 56.10 54.89 3m1i s TRP 66 Cb -0.17 -3.98 0.05 0.00 -1.15 0.00 0.00 33.47 28.22 3m1i s TRP 66 CO 0.11 -1.24 0.88 0.34 0.02 0.00 0.00 176.95 177.06 3m1i s ASP 67 N 3.55 6.29 0.33 2.95 2.15 -0.28 -1.46 116.67 130.20 3m1i s ASP 67 Ca 0.11 -0.55 0.02 0.00 0.43 0.00 0.00 52.55 52.56 3m1i s ASP 67 Cb -0.24 -2.40 -0.03 0.00 -0.30 0.00 0.00 42.92 39.95 3m1i s ASP 67 CO 0.04 -1.19 0.51 0.42 -0.17 0.00 0.00 175.17 174.78 3m1i s THR 68 N 3.69 4.97 0.09 1.71 -4.23 -0.98 -0.70 115.64 120.19 3m1i s THR 68 Ca 0.26 -0.63 -0.30 0.00 -1.18 0.00 0.00 61.69 59.84 3m1i s THR 68 Cb -0.14 -3.80 -0.06 0.00 1.34 0.00 0.00 72.50 69.84 3m1i s THR 68 CO 0.16 -0.46 1.09 0.00 -0.54 0.00 0.00 174.62 174.88 3m1i s ALA 69 N -2.25 3.31 -0.31 3.99 0.00 -0.06 -4.86 121.76 121.59 3m1i s ALA 69 Ca 0.40 0.73 0.23 0.00 0.00 0.00 0.00 51.96 53.31 3m1i s ALA 69 Cb -0.09 -3.37 -0.05 0.00 0.00 0.00 0.00 23.12 19.60 3m1i s ALA 69 CO 0.34 -0.27 0.92 0.41 0.00 0.00 0.00 175.76 177.17 3m1i n GLY 70 N 2.68 -1.29 3.73 0.00 0.00 -1.26 -4.72 105.19 104.34 3m1i n GLY 70 Ca 0.06 -0.34 -0.41 0.00 0.00 0.00 0.00 46.02 45.32 3m1i n GLY 70 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3m1i s LEU 71 N -4.73 4.48 0.31 0.99 1.43 -1.26 -3.45 118.68 116.45 3m1i s LEU 71 Ca -0.01 1.80 0.01 0.00 -1.03 0.00 0.00 54.13 54.90 3m1i s LEU 71 Cb 0.12 -3.59 0.55 0.00 0.03 0.00 0.00 46.19 43.30 3m1i s LEU 71 CO 0.82 -0.11 1.92 -0.08 0.23 0.00 0.00 176.35 179.13 3m1i h GLU 72 N 5.74 0.97 0.00 1.70 4.81 -2.00 -1.13 114.58 124.67 3m1i h GLU 72 Ca -0.43 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 3m1i h GLU 72 Cb 1.21 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 30.37 3m1i h GLU 72 CO 0.72 0.64 0.00 1.57 -0.73 0.00 0.00 179.01 181.22 3m1i h LYS 73 N 1.00 0.00 -0.24 1.92 2.10 -1.99 -2.23 116.57 117.13 3m1i h LYS 73 Ca 0.37 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.02 3m1i h LYS 73 Cb 0.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.50 3m1i h LYS 73 CO -0.13 0.00 0.00 1.19 -2.00 0.00 0.00 179.45 178.51 3m1i n PHE 74 N -2.65 0.62 0.13 0.07 3.72 -0.46 -4.72 117.46 114.16 3m1i n PHE 74 Ca -0.00 -0.74 0.18 0.00 -0.05 0.00 0.00 57.45 56.83 3m1i n PHE 74 Cb 0.17 -0.19 0.75 0.00 -0.94 0.00 0.00 39.48 39.28 3m1i n PHE 74 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3m1i h GLY 75 N 1.54 0.00 0.00 1.37 0.00 -1.00 0.14 103.07 105.12 3m1i h GLY 75 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3m1i h GLY 75 CO 0.11 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.26 3m1i n GLY 76 N -1.51 2.64 0.00 4.60 0.00 -1.26 -1.11 105.19 108.55 3m1i n GLY 76 Ca 0.05 -0.28 0.15 0.00 0.00 0.00 0.00 46.02 45.94 3m1i n GLY 76 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3m1i n LEU 77 N 0.00 0.01 0.00 0.99 4.32 -1.26 -4.96 117.00 116.10 3m1i n LEU 77 Ca 0.00 0.35 0.00 0.00 -0.02 0.00 0.00 56.01 56.34 3m1i n LEU 77 Cb 0.00 -0.35 0.00 0.00 -1.62 0.00 0.00 43.42 41.45 3m1i n LEU 77 CO 0.00 0.00 0.00 0.54 -1.22 0.00 0.00 177.39 176.71 3m1i n ARG 78 N -1.35 0.00 0.07 3.23 1.74 -0.27 -0.41 116.66 119.67 3m1i n ARG 78 Ca 0.12 0.00 0.07 0.00 -0.77 0.00 0.00 57.85 57.27 3m1i n ARG 78 Cb 0.27 0.00 0.33 0.00 -1.02 0.00 0.00 32.46 32.04 3m1i n ARG 78 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3m1i n ASP 79 N 7.16 0.28 0.29 0.55 3.85 -1.26 -1.29 116.55 126.14 3m1i n ASP 79 Ca 0.00 0.60 0.16 0.00 -0.71 0.00 0.00 54.79 54.84 3m1i n ASP 79 Cb 0.00 -0.65 0.89 0.00 -1.35 0.00 0.00 41.12 40.02 3m1i n ASP 79 CO 0.00 0.00 0.00 1.23 -1.01 0.00 0.00 177.20 177.42 3m1i h GLY 80 N 1.13 0.00 2.00 6.12 0.00 -1.14 -1.74 103.07 109.43 3m1i h GLY 80 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 3m1i h GLY 80 CO 0.00 0.00 -0.20 -0.97 0.00 0.00 0.00 176.54 175.37 3m1i h TYR 81 N 0.00 0.00 0.00 5.60 0.05 -1.36 -3.19 116.97 118.06 3m1i h TYR 81 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3m1i h TYR 81 Cb 0.18 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.92 3m1i h TYR 81 CO 0.00 0.20 -0.16 0.66 -1.05 0.00 0.00 178.16 177.80 3m1i n TYR 82 N -3.59 0.71 -1.69 4.88 4.01 -0.65 -4.81 117.16 116.02 3m1i n TYR 82 Ca -0.01 0.21 -0.44 0.00 -0.16 0.00 0.00 57.90 57.49 3m1i n TYR 82 Cb 0.34 -0.80 -0.03 0.00 -0.31 0.00 0.00 39.34 38.54 3m1i n TYR 82 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 3m1i n ILE 83 N -2.12 0.88 -0.94 -0.72 5.41 -1.21 -1.52 119.36 119.14 3m1i n ILE 83 Ca 0.05 -0.22 0.00 0.00 1.00 0.00 0.00 62.75 63.58 3m1i n ILE 83 Cb 0.42 -1.59 0.00 0.00 -0.71 0.00 0.00 39.64 37.76 3m1i n ILE 83 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 3m1i n ASN 84 N 2.28 -3.38 -4.76 4.38 3.02 -1.26 -4.98 115.26 110.55 3m1i n ASN 84 Ca 0.11 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.27 3m1i n ASN 84 Cb 0.32 -1.76 0.01 0.00 -0.61 0.00 0.00 39.78 37.74 3m1i n ASN 84 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3m1i s ALA 85 N -1.77 3.11 -1.55 5.41 0.00 -0.58 -4.74 121.76 121.64 3m1i s ALA 85 Ca 0.00 1.28 0.15 0.00 0.00 0.00 0.00 51.96 53.38 3m1i s ALA 85 Cb 0.00 -3.52 0.05 0.00 0.00 0.00 0.00 23.12 19.65 3m1i s ALA 85 CO 0.00 -1.03 0.87 1.04 0.00 0.00 0.00 175.76 176.64 3m1i n GLN 86 N -0.32 1.49 -3.65 0.00 6.02 0.42 -4.97 117.38 116.37 3m1i n GLN 86 Ca 0.06 -1.03 -0.01 0.00 -0.01 0.00 0.00 57.00 56.01 3m1i n GLN 86 Cb 0.44 -1.25 -0.01 0.00 1.02 0.00 0.00 30.24 30.45 3m1i n GLN 86 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3m1i s ALA 88 N -2.69 -1.26 -0.08 0.00 0.00 -0.86 -1.84 121.76 115.02 3m1i s ALA 88 Ca 0.13 0.50 0.04 0.00 0.00 0.00 0.00 51.96 52.63 3m1i s ALA 88 Cb 0.02 0.42 -0.00 0.00 0.00 0.00 0.00 23.12 23.57 3m1i s ALA 88 CO -0.03 -0.52 -0.22 0.42 0.00 0.00 0.00 175.76 175.41 3m1i s ILE 89 N -2.61 1.90 -0.21 0.00 1.01 -0.64 -1.41 121.20 119.23 3m1i s ILE 89 Ca -0.04 -0.94 -0.07 0.00 0.00 0.00 0.00 60.65 59.60 3m1i s ILE 89 Cb -0.00 -1.64 -0.03 0.00 0.01 0.00 0.00 42.46 40.79 3m1i s ILE 89 CO -0.03 0.53 0.05 -0.63 0.00 0.00 0.00 174.94 174.85 3m1i s ILE 90 N 0.27 4.43 -0.02 2.92 1.01 0.39 -1.61 121.20 128.59 3m1i s ILE 90 Ca -0.15 -0.15 0.03 0.00 0.00 0.00 0.00 60.65 60.39 3m1i s ILE 90 Cb -0.17 -3.02 -0.03 0.00 0.01 0.00 0.00 42.46 39.25 3m1i s ILE 90 CO 0.07 0.41 -0.09 -0.32 0.00 0.00 0.00 174.94 175.01 3m1i s MET 91 N 0.91 2.54 0.34 2.79 -2.45 0.52 -1.02 119.30 122.94 3m1i s MET 91 Ca 0.03 -0.71 0.06 0.00 -1.25 0.00 0.00 55.69 53.83 3m1i s MET 91 Cb -0.14 -2.47 -0.03 0.00 1.25 0.00 0.00 34.83 33.44 3m1i s MET 91 CO 0.02 0.61 0.24 -0.59 1.05 0.00 0.00 175.02 176.36 3m1i s PHE 92 N -0.90 1.74 -0.14 4.11 -0.12 -0.39 -3.89 117.98 118.38 3m1i s PHE 92 Ca 0.15 -1.58 0.02 0.00 -0.05 0.00 0.00 56.93 55.47 3m1i s PHE 92 Cb -0.11 -0.80 0.01 0.00 -0.63 0.00 0.00 43.02 41.50 3m1i s PHE 92 CO 0.05 -0.75 -0.21 0.34 -0.05 0.00 0.00 175.22 174.60 3m1i s ASP 93 N -3.41 3.03 0.00 1.98 -1.08 -1.26 -0.79 116.67 115.14 3m1i s ASP 93 Ca 0.37 -0.59 0.28 0.00 -0.52 0.00 0.00 52.55 52.09 3m1i s ASP 93 Cb 0.02 -1.40 1.57 0.00 -1.46 0.00 0.00 42.92 41.65 3m1i s ASP 93 CO 0.24 0.06 1.98 1.33 0.52 0.00 0.00 175.17 179.31 3m1i n VAL 94 N 4.18 0.05 1.24 1.11 0.24 -0.39 -1.42 118.33 123.33 3m1i n VAL 94 Ca -0.20 0.01 0.13 0.00 -2.04 0.00 0.00 64.34 62.24 3m1i n VAL 94 Cb 0.51 -0.57 0.30 0.00 -1.47 0.00 0.00 33.84 32.61 3m1i n VAL 94 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3m1i n THR 95 N -1.10 0.00 -3.65 3.34 -2.24 -1.26 0.10 114.28 109.47 3m1i n THR 95 Ca 0.18 -0.35 -0.28 0.00 -2.27 0.00 0.00 64.05 61.34 3m1i n THR 95 Cb 0.14 0.97 -0.16 0.00 -2.10 0.00 0.00 70.33 69.17 3m1i n THR 95 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3m1i s SER 96 N -2.07 3.13 0.42 3.42 0.15 -0.50 -4.65 113.70 113.60 3m1i s SER 96 Ca 0.31 -1.03 0.09 0.00 0.70 0.00 0.00 55.95 56.02 3m1i s SER 96 Cb 0.20 -0.49 0.91 0.00 -1.71 0.00 0.00 66.02 64.94 3m1i s SER 96 CO 0.35 -0.37 2.05 0.03 1.20 0.00 0.00 173.24 176.50 3m1i h ARG 97 N 8.31 0.49 0.00 5.44 3.08 -1.87 -1.96 114.38 127.87 3m1i h ARG 97 Ca -0.16 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 59.83 3m1i h ARG 97 Cb 1.08 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 31.02 3m1i h ARG 97 CO 0.38 0.32 -0.11 0.97 -1.07 0.00 0.00 179.97 180.46 3m1i h ILE 98 N 0.50 0.50 -0.02 2.04 2.10 -1.95 -1.64 117.51 119.05 3m1i h ILE 98 Ca 0.17 -0.50 -0.16 0.00 1.08 0.00 0.00 64.86 65.44 3m1i h ILE 98 Cb 0.05 1.34 -0.02 0.00 -1.09 0.00 0.00 36.82 37.10 3m1i h ILE 98 CO -0.04 0.10 -0.73 0.71 -1.08 0.00 0.00 178.15 177.11 3m1i h THR 99 N 0.00 1.48 -0.07 2.19 1.35 -1.65 -1.79 112.91 114.41 3m1i h THR 99 Ca -0.00 -2.38 -0.24 0.00 -0.55 0.00 0.00 66.41 63.23 3m1i h THR 99 Cb 0.33 2.28 0.01 0.00 -1.73 0.00 0.00 68.15 69.05 3m1i h THR 99 CO 0.01 0.69 -0.91 0.22 -0.25 0.00 0.00 175.52 175.28 3m1i h TYR 100 N 0.07 1.02 -0.67 4.73 5.03 -1.53 -3.12 116.97 122.49 3m1i h TYR 100 Ca -0.02 -0.50 0.13 0.00 2.58 0.00 0.00 58.73 60.92 3m1i h TYR 100 Cb 1.30 -0.14 -0.04 0.00 1.55 0.00 0.00 36.73 39.40 3m1i h TYR 100 CO 0.01 1.34 0.46 -0.22 -1.32 0.00 0.00 178.16 178.42 3m1i h LYS 101 N 0.45 0.34 -0.00 1.82 3.64 -1.02 -2.32 116.57 119.48 3m1i h LYS 101 Ca -0.09 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 3m1i h LYS 101 Cb 1.55 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.29 3m1i h LYS 101 CO 0.18 0.23 -0.06 0.09 -2.27 0.00 0.00 179.45 177.62 3m1i n ASN 102 N -4.46 0.10 -0.37 4.20 5.03 -0.70 -4.14 115.26 114.93 3m1i n ASN 102 Ca 0.12 0.11 -0.01 0.00 0.87 0.00 0.00 54.58 55.67 3m1i n ASN 102 Cb 0.49 -0.31 0.12 0.00 -1.02 0.00 0.00 39.78 39.06 3m1i n ASN 102 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 3m1i h VAL 103 N 0.07 1.20 0.00 2.41 2.07 -1.38 0.09 116.25 120.71 3m1i h VAL 103 Ca 0.00 -0.44 -0.02 0.00 0.82 0.00 0.00 66.70 67.06 3m1i h VAL 103 Cb 0.42 -0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 30.00 3m1i h VAL 103 CO 0.00 0.23 -0.10 -0.65 0.02 0.00 0.00 177.57 177.07 3m1i h PRO 104 N 1.27 0.00 -0.05 1.57 0.11 -1.78 -0.91 132.00 132.22 3m1i h PRO 104 Ca 0.38 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.40 3m1i h PRO 104 Cb -0.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.06 3m1i h PRO 104 CO -0.11 0.10 -0.31 -0.91 -0.21 0.00 0.00 178.00 176.57 3m1i h ASN 105 N 0.00 0.36 -0.48 -2.05 2.35 -1.28 -0.59 115.58 113.89 3m1i h ASN 105 Ca -0.00 -0.67 0.01 0.00 -0.55 0.00 0.00 56.30 55.09 3m1i h ASN 105 Cb 0.29 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.53 3m1i h ASN 105 CO 0.01 0.97 0.30 -0.50 -1.65 0.00 0.00 177.43 176.56 3m1i h TRP 106 N -0.24 0.56 -0.61 1.19 4.06 -1.09 -2.53 115.95 117.30 3m1i h TRP 106 Ca -0.02 0.02 -0.06 0.00 2.06 0.00 0.00 58.89 60.88 3m1i h TRP 106 Cb 0.98 -0.18 -0.02 0.00 -1.00 0.00 0.00 29.16 28.93 3m1i h TRP 106 CO 0.14 0.33 0.15 1.25 -3.56 0.00 0.00 178.44 176.76 3m1i h HIS 107 N 0.60 1.01 0.04 0.49 2.76 -1.17 -1.01 115.15 117.87 3m1i h HIS 107 Ca 0.18 -0.12 0.02 0.00 -2.20 0.00 0.00 60.37 58.26 3m1i h HIS 107 Cb -0.02 -0.29 -0.03 0.00 1.55 0.00 0.00 27.41 28.62 3m1i h HIS 107 CO -0.06 0.85 -0.18 -0.09 -1.30 0.00 0.00 177.93 177.16 3m1i h ARG 108 N 0.88 -0.30 -0.54 5.26 2.43 -1.00 -0.40 114.38 120.71 3m1i h ARG 108 Ca 0.19 0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.31 3m1i h ARG 108 Cb 0.35 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.94 3m1i h ARG 108 CO 0.00 -0.20 0.04 -0.44 -1.51 0.00 0.00 179.97 177.87 3m1i h ASP 109 N -0.31 0.85 0.10 -3.80 3.32 -1.25 -2.28 116.42 113.06 3m1i h ASP 109 Ca 0.04 -0.20 -0.00 0.00 0.02 0.00 0.00 57.03 56.89 3m1i h ASP 109 Cb 0.36 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.68 3m1i h ASP 109 CO -0.14 0.89 -0.05 0.25 -1.72 0.00 0.00 179.24 178.47 3m1i h LEU 110 N 0.83 -0.11 0.00 1.55 5.85 -0.96 -3.28 115.31 119.20 3m1i h LEU 110 Ca 0.16 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.69 3m1i h LEU 110 Cb 0.44 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.50 3m1i h LEU 110 CO 0.02 0.14 -0.02 1.33 -0.34 0.00 0.00 178.44 179.57 3m1i n VAL 111 N -5.04 0.33 -0.06 1.05 0.24 -0.18 -1.16 118.33 113.51 3m1i n VAL 111 Ca -0.08 -0.16 0.00 0.00 -2.04 0.00 0.00 64.34 62.06 3m1i n VAL 111 Cb 0.17 -0.53 0.30 0.00 -1.47 0.00 0.00 33.84 32.31 3m1i n VAL 111 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 3m1i h ARG 112 N 0.00 0.65 0.14 7.34 3.08 -1.47 -3.11 114.38 121.01 3m1i h ARG 112 Ca 0.00 -0.10 -0.35 0.00 0.07 0.00 0.00 59.98 59.60 3m1i h ARG 112 Cb 0.63 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 3m1i h ARG 112 CO 0.00 0.56 -1.87 0.28 -1.07 0.00 0.00 179.97 177.87 3m1i h VAL 113 N 0.65 0.78 -3.40 2.04 2.07 -1.50 -3.44 116.25 113.44 3m1i h VAL 113 Ca 0.16 -2.44 -0.65 0.00 0.82 0.00 0.00 66.70 64.58 3m1i h VAL 113 Cb 0.17 2.61 -0.40 0.00 -1.52 0.00 0.00 31.29 32.15 3m1i h VAL 113 CO -0.01 0.87 -0.59 0.00 0.02 0.00 0.00 177.57 177.85 3m1i h GLU 115 N 6.55 0.00 -2.08 0.00 5.08 -1.82 -3.38 114.58 118.94 3m1i h GLU 115 Ca -0.07 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.78 3m1i h GLU 115 Cb 0.90 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 29.74 3m1i h GLU 115 CO 0.69 0.48 -1.04 -1.71 -1.00 0.00 0.00 179.01 176.43 3m1i n ASN 116 N -3.42 1.79 -4.35 1.42 5.15 -1.26 -5.05 115.26 109.54 3m1i n ASN 116 Ca 0.01 -3.18 -0.22 0.00 -0.60 0.00 0.00 54.58 50.59 3m1i n ASN 116 Cb 0.63 -0.61 -0.11 0.00 -0.53 0.00 0.00 39.78 39.16 3m1i n ASN 116 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 3m1i s ILE 117 N -2.91 1.88 0.23 -1.44 -4.36 -1.26 -5.06 121.20 108.27 3m1i s ILE 117 Ca 0.42 -1.97 -0.30 0.00 -0.26 0.00 0.00 60.65 58.54 3m1i s ILE 117 Cb 0.32 -1.90 -0.09 0.00 1.25 0.00 0.00 42.46 42.05 3m1i s ILE 117 CO -0.10 -0.33 1.23 -2.16 0.24 0.00 0.00 174.94 173.83 3m1i s PRO 118 N -2.89 4.47 -0.02 0.37 0.04 -1.26 -4.93 135.00 130.78 3m1i s PRO 118 Ca 0.17 1.97 0.01 0.00 0.04 0.00 0.00 61.00 63.19 3m1i s PRO 118 Cb -0.05 -3.19 0.01 0.00 0.04 0.00 0.00 34.50 31.30 3m1i s PRO 118 CO 0.07 -0.10 -0.02 0.42 0.04 0.00 0.00 177.00 177.41 3m1i s ILE 119 N -0.35 0.27 -0.13 0.56 1.01 -1.26 -2.03 121.20 119.28 3m1i s ILE 119 Ca 0.52 -0.07 -0.02 0.00 0.00 0.00 0.00 60.65 61.08 3m1i s ILE 119 Cb -0.35 -0.29 -0.03 0.00 0.01 0.00 0.00 42.46 41.81 3m1i s ILE 119 CO 0.40 0.12 -0.06 -0.69 0.00 0.00 0.00 174.94 174.71 3m1i s VAL 120 N 0.41 3.67 -0.20 2.92 1.01 -0.50 -1.63 120.40 126.07 3m1i s VAL 120 Ca -0.04 -0.45 -0.11 0.00 0.00 0.00 0.00 61.98 61.37 3m1i s VAL 120 Cb -0.07 -2.57 -0.05 0.00 0.00 0.00 0.00 36.38 33.69 3m1i s VAL 120 CO -0.01 0.53 0.19 -0.22 0.00 0.00 0.00 175.10 175.59 3m1i s LEU 121 N 0.06 4.19 -0.10 3.92 2.96 0.16 -0.46 118.68 129.41 3m1i s LEU 121 Ca -0.02 0.28 0.03 0.00 -0.22 0.00 0.00 54.13 54.20 3m1i s LEU 121 Cb -0.14 -2.19 0.01 0.00 0.50 0.00 0.00 46.19 44.37 3m1i s LEU 121 CO 0.03 0.11 -0.18 0.00 -1.32 0.00 0.00 176.35 174.99 3m1i s GLY 123 N 0.69 1.99 0.57 0.00 0.00 -0.67 -1.26 107.32 108.63 3m1i s GLY 123 Ca -0.12 -1.85 -0.02 0.00 0.00 0.00 0.00 44.72 42.73 3m1i s GLY 123 CO 0.03 1.06 0.82 0.21 0.00 0.00 0.00 173.10 175.22 3m1i s ASN 124 N 2.15 5.36 -0.83 1.64 2.47 0.03 -0.75 114.94 125.01 3m1i s ASN 124 Ca 0.07 0.28 -0.02 0.00 0.42 0.00 0.00 52.86 53.61 3m1i s ASN 124 Cb -0.21 -1.22 0.00 0.00 -1.45 0.00 0.00 41.25 38.37 3m1i s ASN 124 CO 0.09 -1.12 0.22 0.29 -3.72 0.00 0.00 177.10 172.86 3m1i n LYS 125 N -2.45 -2.01 0.00 0.43 5.02 -0.91 -1.26 118.16 116.98 3m1i n LYS 125 Ca 0.06 0.48 0.07 0.00 -2.02 0.00 0.00 58.31 56.90 3m1i n LYS 125 Cb 0.59 -4.47 0.34 0.00 -0.02 0.00 0.00 35.03 31.47 3m1i n LYS 125 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 3m1i n VAL 126 N -3.93 0.63 0.33 -0.18 0.24 -1.02 -2.21 118.33 112.20 3m1i n VAL 126 Ca -0.08 0.16 0.15 0.00 -2.04 0.00 0.00 64.34 62.53 3m1i n VAL 126 Cb 0.57 -0.94 0.59 0.00 -1.47 0.00 0.00 33.84 32.60 3m1i n VAL 126 CO 0.00 0.00 0.00 -2.24 -2.14 0.00 0.00 176.83 172.45 3m1i h ASP 127 N 0.00 0.00 -3.32 -1.34 2.03 -1.92 -3.45 116.42 108.43 3m1i h ASP 127 Ca 0.00 0.00 -0.55 0.00 -0.73 0.00 0.00 57.03 55.75 3m1i h ASP 127 Cb 0.13 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.60 3m1i h ASP 127 CO 0.00 0.00 0.48 -0.69 -1.03 0.00 0.00 179.24 178.00 3m1i s VAL 128 N -3.52 4.75 0.18 4.15 1.01 -0.94 -4.95 120.40 121.09 3m1i s VAL 128 Ca 0.03 1.99 -0.23 0.00 0.00 0.00 0.00 61.98 63.77 3m1i s VAL 128 Cb 0.09 -4.28 0.08 0.00 0.00 0.00 0.00 36.38 32.28 3m1i s VAL 128 CO 0.50 0.09 1.57 0.11 0.00 0.00 0.00 175.10 177.37 3m1i h LYS 129 N 6.96 -0.17 -4.74 2.72 6.56 -1.91 -3.31 116.57 122.68 3m1i h LYS 129 Ca -0.37 0.01 -0.73 0.00 -1.06 0.00 0.00 60.65 58.51 3m1i h LYS 129 Cb 1.19 0.04 -0.15 0.00 -0.57 0.00 0.00 32.23 32.74 3m1i h LYS 129 CO 0.80 -0.11 1.73 0.39 -2.06 0.00 0.00 179.45 180.20 3m1i n GLU 130 N -5.42 3.35 -2.56 3.15 4.71 -1.26 -4.98 120.64 117.63 3m1i n GLU 130 Ca 0.03 -3.62 -0.41 0.00 -0.01 0.00 0.00 57.16 53.15 3m1i n GLU 130 Cb 0.35 -3.13 -0.04 0.00 -1.01 0.00 0.00 31.44 27.62 3m1i n GLU 130 CO 0.00 0.00 0.00 0.50 0.09 0.00 0.00 177.13 177.72 3m1i s ARG 131 N 1.99 4.61 -0.14 3.49 3.52 -1.25 -4.77 118.95 126.40 3m1i s ARG 131 Ca 0.45 1.66 0.12 0.00 -0.13 0.00 0.00 55.73 57.82 3m1i s ARG 131 Cb 0.01 -3.31 -0.17 0.00 -1.56 0.00 0.00 34.95 29.93 3m1i s ARG 131 CO 0.01 0.08 0.03 1.63 -0.81 0.00 0.00 175.30 176.25 3m1i n LYS 132 N 2.59 1.63 -3.42 5.12 4.76 0.11 -4.81 118.16 124.14 3m1i n LYS 132 Ca 0.03 0.00 -0.44 0.00 -2.87 0.00 0.00 58.31 55.03 3m1i n LYS 132 Cb 0.47 -1.36 -0.07 0.00 -1.84 0.00 0.00 35.03 32.23 3m1i n LYS 132 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3m1i s VAL 133 N -2.34 4.76 0.72 -0.18 1.01 0.34 -4.90 120.40 119.81 3m1i s VAL 133 Ca -0.08 -1.61 -0.11 0.00 0.00 0.00 0.00 61.98 60.17 3m1i s VAL 133 Cb 0.04 -4.08 0.02 0.00 0.00 0.00 0.00 36.38 32.37 3m1i s VAL 133 CO 0.56 -0.82 1.10 -0.54 0.00 0.00 0.00 175.10 175.41 3m1i s LYS 134 N 1.50 2.76 0.31 2.72 -0.14 -1.26 -4.89 119.74 120.73 3m1i s LYS 134 Ca 0.04 0.46 0.05 0.00 -1.36 0.00 0.00 55.97 55.16 3m1i s LYS 134 Cb -0.28 -2.01 0.82 0.00 -1.68 0.00 0.00 37.83 34.68 3m1i s LYS 134 CO 0.01 -1.11 1.61 0.00 -0.76 0.00 0.00 175.35 175.11 3m1i h ALA 135 N -0.71 1.36 0.00 5.17 0.00 -1.97 -1.91 119.26 121.20 3m1i h ALA 135 Ca -0.45 0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 3m1i h ALA 135 Cb 1.26 0.42 -0.00 0.00 0.00 0.00 0.00 17.79 19.47 3m1i h ALA 135 CO 0.64 -0.58 -0.00 1.57 0.00 0.00 0.00 179.25 180.87 3m1i h LYS 136 N 0.10 0.00 0.00 0.00 -0.00 -2.03 -0.67 116.57 113.98 3m1i h LYS 136 Ca 0.61 0.00 -0.12 0.00 -0.00 0.00 0.00 60.65 61.15 3m1i h LYS 136 Cb 1.32 0.00 -0.02 0.00 -0.00 0.00 0.00 32.23 33.53 3m1i h LYS 136 CO -0.77 0.00 -0.56 1.15 -0.00 0.00 0.00 179.45 179.27 3m1i h THR 137 N 0.00 1.10 -2.53 0.07 2.02 -1.72 -3.43 112.91 108.42 3m1i h THR 137 Ca -0.00 -2.15 -0.63 0.00 0.77 0.00 0.00 66.41 64.40 3m1i h THR 137 Cb 0.87 2.27 -0.14 0.00 -1.74 0.00 0.00 68.15 69.41 3m1i h THR 137 CO 0.00 0.55 0.66 -0.63 0.37 0.00 0.00 175.52 176.47 3m1i s ILE 138 N -3.26 4.32 0.00 3.11 1.01 -0.26 -4.62 121.20 121.50 3m1i s ILE 138 Ca 0.01 -0.49 0.00 0.00 0.00 0.00 0.00 60.65 60.17 3m1i s ILE 138 Cb 0.10 -4.73 0.00 0.00 0.01 0.00 0.00 42.46 37.84 3m1i s ILE 138 CO 0.74 -1.52 0.06 0.35 0.00 0.00 0.00 174.94 174.57 3m1i n THR 139 N 5.94 0.00 -0.29 2.92 -2.24 -1.26 -4.90 114.28 114.45 3m1i n THR 139 Ca 0.02 -0.09 0.09 0.00 -2.27 0.00 0.00 64.05 61.80 3m1i n THR 139 Cb 0.46 1.60 0.25 0.00 -2.10 0.00 0.00 70.33 70.54 3m1i n THR 139 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 3m1i h PHE 140 N 0.00 0.66 -0.19 4.78 3.57 -2.00 -1.80 116.94 121.96 3m1i h PHE 140 Ca 0.00 0.04 0.06 0.00 3.53 0.00 0.00 57.97 61.59 3m1i h PHE 140 Cb 0.30 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 3m1i h PHE 140 CO 0.00 0.07 0.28 1.12 -2.23 0.00 0.00 178.31 177.55 3m1i h HIS 141 N 0.49 0.00 0.09 0.41 2.07 -1.90 -3.31 115.15 113.00 3m1i h HIS 141 Ca 0.49 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 58.00 3m1i h HIS 141 Cb 0.80 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.78 3m1i h HIS 141 CO -0.13 0.00 -0.04 0.00 -3.07 0.00 0.00 177.93 174.69 3m1i h ARG 142 N 0.00 -0.12 0.00 5.12 3.08 -1.60 -0.75 114.38 120.11 3m1i h ARG 142 Ca 0.09 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.15 3m1i h ARG 142 Cb 0.65 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.73 3m1i h ARG 142 CO -0.00 0.18 0.00 0.87 -1.07 0.00 0.00 179.97 179.95 3m1i h LYS 143 N -0.43 0.00 -0.21 0.04 1.57 -1.78 -3.08 116.57 112.68 3m1i h LYS 143 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3m1i h LYS 143 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 3m1i h LYS 143 CO 0.02 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.53 3m1i n LYS 144 N -2.54 2.36 -3.25 3.15 4.76 -1.14 -4.96 118.16 116.54 3m1i n LYS 144 Ca 0.04 -2.09 -0.23 0.00 -2.87 0.00 0.00 58.31 53.16 3m1i n LYS 144 Cb 0.38 -1.48 0.05 0.00 -1.84 0.00 0.00 35.03 32.14 3m1i n LYS 144 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3m1i n ASN 145 N 1.39 -6.24 -4.91 4.39 4.13 -0.59 -4.99 115.26 108.43 3m1i n ASN 145 Ca 0.16 -0.39 -0.30 0.00 1.68 0.00 0.00 54.58 55.74 3m1i n ASN 145 Cb 0.59 -4.98 -0.04 0.00 -1.54 0.00 0.00 39.78 33.81 3m1i n ASN 145 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3m1i s LEU 146 N -6.91 4.25 0.16 3.41 1.43 -0.39 -4.77 118.68 115.86 3m1i s LEU 146 Ca 0.42 0.50 -0.17 0.00 -1.03 0.00 0.00 54.13 53.84 3m1i s LEU 146 Cb -0.18 -3.24 -0.07 0.00 0.03 0.00 0.00 46.19 42.72 3m1i s LEU 146 CO 0.52 0.01 0.62 -1.58 0.23 0.00 0.00 176.35 176.15 3m1i s GLN 147 N -2.94 4.13 -0.03 1.70 2.00 -0.65 -4.71 119.66 119.16 3m1i s GLN 147 Ca 0.40 0.68 0.05 0.00 -2.00 0.00 0.00 55.36 54.49 3m1i s GLN 147 Cb -0.12 -2.98 -0.01 0.00 0.80 0.00 0.00 33.01 30.70 3m1i s GLN 147 CO 0.27 0.49 -0.18 -0.47 -0.50 0.00 0.00 175.29 174.89 3m1i s TYR 148 N -1.40 1.76 -0.02 1.67 5.04 -1.26 0.38 117.35 123.52 3m1i s TYR 148 Ca 0.38 -0.43 0.02 0.00 -2.44 0.00 0.00 57.07 54.59 3m1i s TYR 148 Cb -0.17 -1.16 0.01 0.00 0.35 0.00 0.00 41.96 40.99 3m1i s TYR 148 CO 0.20 -0.11 -0.06 0.71 -1.34 0.00 0.00 175.55 174.95 3m1i s TYR 149 N -0.18 0.62 0.13 4.97 2.02 -0.45 -4.97 117.35 119.49 3m1i s TYR 149 Ca 0.01 -0.13 -0.31 0.00 -0.37 0.00 0.00 57.07 56.27 3m1i s TYR 149 Cb -0.10 -0.47 -0.08 0.00 -0.40 0.00 0.00 41.96 40.91 3m1i s TYR 149 CO 0.01 -0.07 1.37 -0.51 -1.57 0.00 0.00 175.55 174.77 3m1i s ASP 150 N 0.25 6.85 0.12 2.29 1.11 -1.26 -1.67 116.67 124.35 3m1i s ASP 150 Ca -0.03 2.34 -0.01 0.00 0.18 0.00 0.00 52.55 55.03 3m1i s ASP 150 Cb -0.07 -2.59 -0.04 0.00 1.07 0.00 0.00 42.92 41.29 3m1i s ASP 150 CO -0.00 -0.62 0.05 0.27 1.18 0.00 0.00 175.17 176.05 3m1i s ILE 151 N 0.86 0.12 -0.11 0.77 -4.36 0.08 -4.63 121.20 113.91 3m1i s ILE 151 Ca 0.62 -1.90 -0.04 0.00 -0.26 0.00 0.00 60.65 59.08 3m1i s ILE 151 Cb -0.37 -1.99 0.06 0.00 1.25 0.00 0.00 42.46 41.41 3m1i s ILE 151 CO 0.32 -0.52 0.17 -0.55 0.24 0.00 0.00 174.94 174.60 3m1i s SER 152 N -3.03 0.94 0.50 4.36 0.15 -0.83 -2.14 113.70 113.66 3m1i s SER 152 Ca 0.22 0.19 0.25 0.00 0.70 0.00 0.00 55.95 57.31 3m1i s SER 152 Cb 0.08 0.27 1.35 0.00 -1.71 0.00 0.00 66.02 66.00 3m1i s SER 152 CO 0.01 -0.26 2.05 0.00 1.20 0.00 0.00 173.24 176.23 3m1i h ALA 153 N 8.36 1.34 0.05 5.45 0.00 -1.92 0.81 119.26 133.35 3m1i h ALA 153 Ca -0.14 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 3m1i h ALA 153 Cb 1.12 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3m1i h ALA 153 CO 0.17 0.18 -0.03 -0.22 0.00 0.00 0.00 179.25 179.35 3m1i h LYS 154 N 0.00 -0.07 -0.00 0.00 3.64 -1.96 -3.33 116.57 114.85 3m1i h LYS 154 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3m1i h LYS 154 Cb 0.35 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 3m1i h LYS 154 CO 0.02 0.54 -0.21 -1.13 -2.27 0.00 0.00 179.45 176.40 3m1i n SER 155 N -4.77 0.62 0.00 4.20 3.41 -1.23 -4.93 113.62 110.93 3m1i n SER 155 Ca -0.08 -0.55 0.00 0.00 -0.26 0.00 0.00 58.87 57.99 3m1i n SER 155 Cb 0.31 0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 3m1i n SER 155 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3m1i n ASN 156 N -0.98 -3.18 -4.68 4.04 3.02 0.25 -4.98 115.26 108.76 3m1i n ASN 156 Ca 0.12 0.00 -0.49 0.00 -0.03 0.00 0.00 54.58 54.18 3m1i n ASN 156 Cb 0.31 -1.74 -0.05 0.00 -0.61 0.00 0.00 39.78 37.70 3m1i n ASN 156 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3m1i n TYR 157 N -2.37 2.26 -1.61 3.10 4.19 -1.06 -0.88 117.16 120.78 3m1i n TYR 157 Ca 0.00 0.13 -0.12 0.00 3.31 0.00 0.00 57.90 61.22 3m1i n TYR 157 Cb 0.17 -2.61 -0.04 0.00 0.49 0.00 0.00 39.34 37.36 3m1i n TYR 157 CO 0.00 0.00 0.00 0.09 0.91 0.00 0.00 176.86 177.86 3m1i n ASN 158 N 5.78 -3.26 0.25 2.98 5.03 -1.26 -1.95 115.26 122.83 3m1i n ASN 158 Ca 0.22 0.27 0.17 0.00 0.87 0.00 0.00 54.58 56.11 3m1i n ASN 158 Cb 0.27 -3.01 0.71 0.00 -1.02 0.00 0.00 39.78 36.72 3m1i n ASN 158 CO 0.00 0.00 0.00 2.19 -1.83 0.00 0.00 177.26 177.62 3m1i h PHE 159 N 0.00 0.00 0.00 3.10 -0.00 -1.30 -2.12 116.94 116.63 3m1i h PHE 159 Ca -0.25 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.72 3m1i h PHE 159 Cb 0.87 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.82 3m1i h PHE 159 CO 0.42 0.00 -0.98 -0.85 -0.00 0.00 0.00 178.31 176.91 3m1i n GLU 160 N -2.91 0.28 -0.17 6.09 0.00 -1.26 -4.45 120.64 118.22 3m1i n GLU 160 Ca 0.00 0.01 -0.06 0.00 0.00 0.00 0.00 57.16 57.11 3m1i n GLU 160 Cb 0.26 -1.60 0.11 0.00 0.00 0.00 0.00 31.44 30.21 3m1i n GLU 160 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 3m1i h LYS 161 N 0.00 0.95 -0.68 3.44 1.79 -1.77 -1.71 116.57 118.58 3m1i h LYS 161 Ca 0.00 -0.25 -0.00 0.00 -2.18 0.00 0.00 60.65 58.22 3m1i h LYS 161 Cb 0.72 -0.12 -0.03 0.00 -1.58 0.00 0.00 32.23 31.22 3m1i h LYS 161 CO 0.00 0.90 0.43 -1.35 -1.08 0.00 0.00 179.45 178.34 3m1i h PRO 162 N 0.89 0.92 -0.17 3.15 0.11 -1.78 -0.71 132.00 134.41 3m1i h PRO 162 Ca 0.18 -0.07 -0.15 0.00 0.11 0.00 0.00 66.00 66.07 3m1i h PRO 162 Cb 0.43 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.33 3m1i h PRO 162 CO 0.01 0.64 -0.51 0.74 -0.21 0.00 0.00 178.00 178.67 3m1i h PHE 163 N 0.93 0.59 -0.57 0.65 0.04 -1.77 -2.33 116.94 114.49 3m1i h PHE 163 Ca 0.25 -0.20 -0.04 0.00 2.80 0.00 0.00 57.97 60.78 3m1i h PHE 163 Cb -0.06 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 37.95 3m1i h PHE 163 CO -0.02 0.89 0.21 1.25 -0.60 0.00 0.00 178.31 180.04 3m1i h LEU 164 N 0.38 0.80 -0.24 1.54 5.85 -1.09 0.54 115.31 123.09 3m1i h LEU 164 Ca 0.02 -0.18 -0.05 0.00 0.84 0.00 0.00 57.88 58.50 3m1i h LEU 164 Cb 1.02 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.84 3m1i h LEU 164 CO 0.09 0.77 -0.05 -0.25 -0.34 0.00 0.00 178.44 178.67 3m1i h TRP 165 N 0.79 0.51 -0.64 1.25 7.01 -1.07 -2.13 115.95 121.67 3m1i h TRP 165 Ca 0.19 -0.11 0.02 0.00 2.11 0.00 0.00 58.89 61.10 3m1i h TRP 165 Cb 0.23 -0.13 -0.04 0.00 -2.10 0.00 0.00 29.16 27.13 3m1i h TRP 165 CO 0.01 0.67 0.41 -0.07 -2.79 0.00 0.00 178.44 176.67 3m1i h LEU 166 N 0.20 0.68 -1.04 0.65 3.38 -1.31 -1.73 115.31 116.13 3m1i h LEU 166 Ca 0.06 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.05 3m1i h LEU 166 Cb 0.50 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.04 3m1i h LEU 166 CO 0.02 0.48 0.64 0.00 0.09 0.00 0.00 178.44 179.67 3m1i h ALA 167 N 1.27 1.33 -0.27 1.53 0.00 -0.69 0.11 119.26 122.53 3m1i h ALA 167 Ca 0.25 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 3m1i h ALA 167 Cb -0.01 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 3m1i h ALA 167 CO -0.09 0.61 0.02 0.00 0.00 0.00 0.00 179.25 179.79 3m1i h ARG 168 N 1.29 0.47 0.04 0.00 3.08 -1.06 0.54 114.38 118.74 3m1i h ARG 168 Ca 0.37 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 60.28 3m1i h ARG 168 Cb -0.10 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 29.90 3m1i h ARG 168 CO -0.09 0.61 -0.03 0.87 -1.07 0.00 0.00 179.97 180.26 3m1i h LYS 169 N 0.27 -0.07 -0.48 0.04 1.79 -0.96 -1.42 116.57 115.74 3m1i h LYS 169 Ca 0.08 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.43 3m1i h LYS 169 Cb 0.39 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.04 3m1i h LYS 169 CO 0.01 -0.04 -0.20 -0.07 -1.08 0.00 0.00 179.45 178.07 3m1i h LEU 170 N -0.07 1.01 -0.14 2.94 3.38 -0.67 -2.24 115.31 119.52 3m1i h LEU 170 Ca -0.00 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.58 3m1i h LEU 170 Cb 0.06 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.53 3m1i h LEU 170 CO -0.00 1.18 0.00 0.00 0.09 0.00 0.00 178.44 179.70 3m1i n ALA 171 N -2.51 1.91 -2.43 1.53 0.00 0.17 -4.89 120.51 114.29 3m1i n ALA 171 Ca 0.00 -0.03 -0.21 0.00 0.00 0.00 0.00 53.44 53.20 3m1i n ALA 171 Cb 0.45 -1.35 -0.01 0.00 0.00 0.00 0.00 19.45 18.54 3m1i n ALA 171 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3m1i n GLY 172 N 0.54 -0.49 2.78 0.00 0.00 -0.63 -4.98 105.19 102.41 3m1i n GLY 172 Ca 0.04 -0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 3m1i n GLY 172 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3m1i s ASN 173 N -2.10 3.17 0.00 1.61 3.84 -0.66 -5.01 114.94 115.80 3m1i s ASN 173 Ca 0.02 -0.94 0.22 0.00 0.21 0.00 0.00 52.86 52.37 3m1i s ASN 173 Cb -0.01 -0.74 0.98 0.00 -0.55 0.00 0.00 41.25 40.93 3m1i s ASN 173 CO 0.02 -0.29 1.71 -0.81 -2.79 0.00 0.00 177.10 174.94 3m1i n PRO 174 N 4.95 0.06 -0.02 0.43 -0.04 -1.26 -2.44 135.00 136.69 3m1i n PRO 174 Ca -0.09 0.11 0.13 0.00 -0.04 0.00 0.00 63.50 63.61 3m1i n PRO 174 Cb 0.46 -1.50 0.59 0.00 -0.04 0.00 0.00 33.50 33.01 3m1i n PRO 174 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3m1i n GLN 175 N -1.46 1.44 -1.72 0.54 6.02 -1.26 -4.91 117.38 116.04 3m1i n GLN 175 Ca 0.06 -0.64 -0.43 0.00 -0.01 0.00 0.00 57.00 55.98 3m1i n GLN 175 Cb 0.24 -1.44 -0.02 0.00 1.02 0.00 0.00 30.24 30.04 3m1i n GLN 175 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 3m1i n LEU 176 N -0.19 3.86 -4.03 1.08 0.00 -1.02 -4.97 117.00 111.74 3m1i n LEU 176 Ca 0.19 1.15 -0.10 0.00 0.00 0.00 0.00 56.01 57.25 3m1i n LEU 176 Cb 0.25 -1.53 -0.11 0.00 0.00 0.00 0.00 43.42 42.04 3m1i n LEU 176 CO 0.15 -0.11 -0.37 -1.61 0.00 0.00 0.00 177.39 175.45 3m1i s GLU 177 N -0.55 0.43 0.23 1.96 0.41 -1.26 -4.94 118.70 114.98 3m1i s GLU 177 Ca 0.65 -0.77 -0.30 0.00 -0.41 0.00 0.00 54.97 54.14 3m1i s GLU 177 Cb -0.56 0.01 -0.09 0.00 -1.78 0.00 0.00 34.13 31.72 3m1i s GLU 177 CO 0.50 -0.03 1.25 -0.06 -0.49 0.00 0.00 175.26 176.42 3m1i s PHE 178 N -1.91 3.31 0.23 1.61 0.08 -1.26 -1.91 117.98 118.13 3m1i s PHE 178 Ca -0.10 1.38 0.06 0.00 0.12 0.00 0.00 56.93 58.39 3m1i s PHE 178 Cb -0.07 -3.52 -0.05 0.00 -0.57 0.00 0.00 43.02 38.81 3m1i s PHE 178 CO -0.02 -1.50 -0.07 0.14 -0.10 0.00 0.00 175.22 173.67 3m1i s VAL 179 N -0.35 1.47 0.14 -0.44 -7.23 -0.52 -4.83 120.40 108.64 3m1i s VAL 179 Ca 0.52 -2.12 -0.31 0.00 -1.81 0.00 0.00 61.98 58.26 3m1i s VAL 179 Cb -0.35 -2.25 -0.10 0.00 0.56 0.00 0.00 36.38 34.24 3m1i s VAL 179 CO 0.41 -0.44 1.78 0.00 -0.31 0.00 0.00 175.10 176.55 3m1i s ALA 180 N -3.14 3.79 0.67 1.32 0.00 -1.26 -4.63 121.76 118.52 3m1i s ALA 180 Ca 0.26 1.45 -0.16 0.00 0.00 0.00 0.00 51.96 53.50 3m1i s ALA 180 Cb 0.03 -3.74 0.01 0.00 0.00 0.00 0.00 23.12 19.41 3m1i s ALA 180 CO 0.08 -1.14 1.20 -1.54 0.00 0.00 0.00 175.76 174.36 3m1i s SER 181 N 2.36 4.66 0.34 0.00 1.04 -1.26 -4.97 113.70 115.86 3m1i s SER 181 Ca 0.79 2.34 -0.29 0.00 0.48 0.00 0.00 55.95 59.27 3m1i s SER 181 Cb -0.46 -2.59 -0.11 0.00 0.10 0.00 0.00 66.02 62.97 3m1i s SER 181 CO 0.35 -1.95 1.39 -2.84 0.98 0.00 0.00 173.24 171.17 3m1i s PRO 182 N -3.71 4.25 -0.77 4.02 0.02 -1.26 -4.95 135.00 132.61 3m1i s PRO 182 Ca 0.75 2.36 -0.04 0.00 0.02 0.00 0.00 61.00 64.09 3m1i s PRO 182 Cb -0.29 -3.04 0.19 0.00 0.02 0.00 0.00 34.50 31.39 3m1i s PRO 182 CO 0.40 -0.35 0.63 0.00 -0.33 0.00 0.00 177.00 177.36 3m1i s ALA 183 N -0.97 3.93 0.48 -1.55 0.00 -1.26 -5.07 121.76 117.33 3m1i s ALA 183 Ca 0.52 -3.51 -0.23 0.00 0.00 0.00 0.00 51.96 48.74 3m1i s ALA 183 Cb -0.43 -2.87 -0.08 0.00 0.00 0.00 0.00 23.12 19.75 3m1i s ALA 183 CO 0.55 -2.15 1.15 1.28 0.00 0.00 0.00 175.76 176.59 3m1i n LEU 184 N 3.09 3.88 -4.67 0.00 7.99 -1.26 -4.93 117.00 121.09 3m1i n LEU 184 Ca 0.14 1.00 -0.46 0.00 -0.01 0.00 0.00 56.01 56.68 3m1i n LEU 184 Cb 0.39 -1.45 -0.04 0.00 -0.11 0.00 0.00 43.42 42.20 3m1i n LEU 184 CO 0.35 -1.11 1.26 0.00 -1.51 0.00 0.00 177.39 176.38 3m1i n ALA 185 N -0.77 1.41 -2.12 -1.18 0.00 -1.26 -4.98 120.51 111.62 3m1i n ALA 185 Ca 0.10 0.41 -0.28 0.00 0.00 0.00 0.00 53.44 53.66 3m1i n ALA 185 Cb 0.42 -2.40 0.01 0.00 0.00 0.00 0.00 19.45 17.48 3m1i n ALA 185 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3m1i s PRO 186 N 1.50 3.48 0.40 0.00 0.04 -1.26 -5.05 135.00 134.11 3m1i s PRO 186 Ca 0.81 0.35 -0.13 0.00 0.04 0.00 0.00 61.00 62.06 3m1i s PRO 186 Cb -0.66 -2.27 -0.08 0.00 0.04 0.00 0.00 34.50 31.53 3m1i s PRO 186 CO 0.40 -0.39 0.81 -1.25 0.04 0.00 0.00 177.00 176.60 3m1i s PRO 187 N -4.91 3.90 0.26 0.56 0.04 -1.26 -5.33 135.00 128.25 3m1i s PRO 187 Ca 0.51 0.64 -0.29 0.00 0.04 0.00 0.00 61.00 61.90 3m1i s PRO 187 Cb -0.11 -2.35 -0.15 0.00 0.04 0.00 0.00 34.50 31.94 3m1i s PRO 187 CO 0.48 -0.02 0.94 0.39 0.04 0.00 0.00 177.00 178.83 3m1i n GLU 188 N -1.04 1.07 0.00 4.56 4.71 -1.26 -5.34 120.64 123.35 3m1i n GLU 188 Ca 0.04 0.38 0.00 0.00 -0.01 0.00 0.00 57.16 57.56 3m1i n GLU 188 Cb 0.54 -1.69 0.00 0.00 -1.01 0.00 0.00 31.44 29.27 3m1i n GLU 188 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 3m1i n GLN 197 N 0.89 0.00 0.26 3.49 1.13 -1.26 -5.38 117.38 116.51 3m1i n GLN 197 Ca 0.12 0.00 0.15 0.00 -1.94 0.00 0.00 57.00 55.33 3m1i n GLN 197 Cb 0.30 0.00 0.56 0.00 0.11 0.00 0.00 30.24 31.20 3m1i n GLN 197 CO 0.00 0.00 0.00 -0.56 -1.44 0.00 0.00 177.06 175.06 3m1i h GLN 198 N 0.00 0.00 -0.38 -1.09 3.07 -2.09 -3.26 115.11 111.35 3m1i h GLN 198 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3m1i h GLN 198 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 3m1i h GLN 198 CO 0.00 0.03 0.00 0.66 0.09 0.00 0.00 178.83 179.61 3m1i n TYR 199 N -3.13 0.50 0.03 0.06 4.02 -1.26 -4.37 117.16 113.00 3m1i n TYR 199 Ca 0.01 -0.25 -0.06 0.00 -0.01 0.00 0.00 57.90 57.59 3m1i n TYR 199 Cb 0.37 0.00 0.12 0.00 -0.02 0.00 0.00 39.34 39.81 3m1i n TYR 199 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 176.86 176.22 3m1i h GLN 200 N 2.77 0.46 -0.64 -0.72 5.75 -2.00 -3.13 115.11 117.59 3m1i h GLN 200 Ca 0.00 -0.25 -0.04 0.00 -0.15 0.00 0.00 58.65 58.21 3m1i h GLN 200 Cb 0.62 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 29.16 3m1i h GLN 200 CO 0.00 0.82 0.24 0.37 -2.65 0.00 0.00 178.83 177.61 3m1i h GLN 201 N 0.37 0.96 0.00 1.69 4.15 -1.87 -1.89 115.11 118.52 3m1i h GLN 201 Ca 0.02 -0.18 -0.03 0.00 0.77 0.00 0.00 58.65 59.23 3m1i h GLN 201 Cb 0.95 -0.15 -0.00 0.00 0.21 0.00 0.00 27.48 28.48 3m1i h GLN 201 CO 0.08 0.82 -0.16 1.49 -1.93 0.00 0.00 178.83 179.13 3m1i h GLU 202 N 0.90 0.00 0.08 1.69 4.81 -1.85 -2.46 114.58 117.75 3m1i h GLU 202 Ca 0.21 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 59.16 3m1i h GLU 202 Cb 0.23 0.00 0.03 0.00 0.63 0.00 0.00 28.75 29.63 3m1i h GLU 202 CO -0.01 0.16 -1.15 0.52 -0.73 0.00 0.00 179.01 177.80 3m1i h MET 203 N 0.00 0.64 -0.15 1.92 2.86 -1.47 0.53 114.93 119.26 3m1i h MET 203 Ca -0.00 -0.79 0.05 0.00 -2.06 0.00 0.00 59.70 56.89 3m1i h MET 203 Cb 0.35 0.25 -0.05 0.00 0.06 0.00 0.00 31.60 32.21 3m1i h MET 203 CO 0.02 1.35 -0.17 0.93 1.06 0.00 0.00 176.91 180.11 3m1i h GLU 204 N 0.29 -0.20 0.00 1.72 5.08 -0.99 -2.25 114.58 118.23 3m1i h GLU 204 Ca -0.17 0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 58.08 3m1i h GLU 204 Cb 1.82 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 31.09 3m1i h GLU 204 CO 0.22 -0.13 -0.74 -0.56 -1.00 0.00 0.00 179.01 176.81 3m1i h GLN 205 N -0.20 0.00 -0.26 2.33 3.07 -1.42 -2.95 115.11 115.68 3m1i h GLN 205 Ca 0.10 0.00 -0.12 0.00 0.09 0.00 0.00 58.65 58.73 3m1i h GLN 205 Cb 0.35 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.91 3m1i h GLN 205 CO -0.27 0.52 -0.29 0.00 0.09 0.00 0.00 178.83 178.88 3m1i h ALA 206 N 1.43 0.38 0.00 0.06 0.00 -0.89 -2.65 119.26 117.60 3m1i h ALA 206 Ca -0.04 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 3m1i h ALA 206 Cb 1.47 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.18 3m1i h ALA 206 CO 0.07 0.40 -0.07 1.79 0.00 0.00 0.00 179.25 181.44 3m1i h THR 207 N 0.37 0.86 -0.01 0.00 1.35 -1.44 -2.57 112.91 111.48 3m1i h THR 207 Ca 0.04 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.65 3m1i h THR 207 Cb 0.86 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 68.42 3m1i h THR 207 CO 0.07 0.07 -0.19 0.00 -0.25 0.00 0.00 175.52 175.22 3m1i n ALA 208 N -2.44 2.93 -3.02 6.62 0.00 -1.12 -4.79 120.51 118.69 3m1i n ALA 208 Ca -0.03 -0.33 -0.36 0.00 0.00 0.00 0.00 53.44 52.72 3m1i n ALA 208 Cb 0.15 -1.23 -0.12 0.00 0.00 0.00 0.00 19.45 18.25 3m1i n ALA 208 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3m1i s LEU 209 N -2.51 3.45 0.33 0.00 2.96 -0.97 -5.08 118.68 116.86 3m1i s LEU 209 Ca 0.26 -0.15 -0.29 0.00 -0.22 0.00 0.00 54.13 53.73 3m1i s LEU 209 Cb 0.20 -1.90 -0.11 0.00 0.50 0.00 0.00 46.19 44.88 3m1i s LEU 209 CO 0.50 0.03 1.44 -2.84 -1.32 0.00 0.00 176.35 174.17 3m1i s PRO 210 N 1.19 4.21 0.43 0.98 0.02 -1.26 -4.94 135.00 135.63 3m1i s PRO 210 Ca 0.04 2.41 -0.26 0.00 0.02 0.00 0.00 61.00 63.22 3m1i s PRO 210 Cb -0.14 -3.03 -0.08 0.00 0.02 0.00 0.00 34.50 31.26 3m1i s PRO 210 CO 0.03 -0.42 1.34 -0.51 -0.33 0.00 0.00 177.00 177.11 3m1i s LEU 211 N -1.44 4.16 0.67 -5.54 1.43 -1.26 -5.00 118.68 111.70 3m1i s LEU 211 Ca 0.54 2.74 -0.13 0.00 -1.03 0.00 0.00 54.13 56.25 3m1i s LEU 211 Cb -0.44 -3.93 0.00 0.00 0.03 0.00 0.00 46.19 41.85 3m1i s LEU 211 CO 0.54 -0.98 1.08 -2.16 0.23 0.00 0.00 176.35 175.05 3m1i s PRO 212 N -2.34 2.89 -1.22 1.29 0.04 -1.26 -4.27 135.00 130.12 3m1i s PRO 212 Ca 0.59 1.17 -0.01 0.00 0.04 0.00 0.00 61.00 62.80 3m1i s PRO 212 Cb -0.40 -1.98 -0.00 0.00 0.04 0.00 0.00 34.50 32.16 3m1i s PRO 212 CO 0.51 -1.15 0.90 -0.25 0.04 0.00 0.00 177.00 177.04 3m1i n ASP 213 N -2.71 -2.13 0.13 6.66 8.00 -1.26 -4.90 116.55 120.34 3m1i n ASP 213 Ca 0.09 -0.69 -0.01 0.00 0.71 0.00 0.00 54.79 54.88 3m1i n ASP 213 Cb 0.53 -4.78 0.15 0.00 -0.02 0.00 0.00 41.12 36.99 3m1i n ASP 213 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 3m1i h GLU 214 N -1.83 0.00 0.00 -1.24 4.57 -2.01 -2.38 114.58 111.69 3m1i h GLU 214 Ca -0.60 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.58 3m1i h GLU 214 Cb 1.34 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.93 3m1i h GLU 214 CO 0.52 0.65 -1.04 -0.25 -1.18 0.00 0.00 179.01 177.70 3m1i n ASP 215 N -3.73 0.93 0.00 1.04 8.00 -1.26 -4.39 116.55 117.14 3m1i n ASP 215 Ca -0.01 -0.93 0.00 0.00 0.71 0.00 0.00 54.79 54.56 3m1i n ASP 215 Cb 0.65 1.06 0.00 0.00 -0.02 0.00 0.00 41.12 42.81 3m1i n ASP 215 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3m1i n ASP 216 N -1.54 0.00 0.00 -2.24 10.43 -1.15 -5.31 116.55 116.74 3m1i n ASP 216 Ca 0.03 0.01 0.00 0.00 2.57 0.00 0.00 54.79 57.40 3m1i n ASP 216 Cb 0.34 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.30 3m1i n ASP 216 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13