#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x1t n LEU 2 N 0.00 2.40 -4.77 4.03 4.77 0.73 -5.00 117.00 119.17 1x1t n LEU 2 Ca 0.00 -3.33 -0.41 0.00 -0.03 0.00 0.00 56.01 52.24 1x1t n LEU 2 Cb 0.00 -0.18 -0.01 0.00 -2.33 0.00 0.00 43.42 40.90 1x1t n LEU 2 CO 0.00 1.19 1.10 -0.54 -1.33 0.00 0.00 177.39 177.81 1x1t s LYS 3 N -2.38 4.21 0.00 3.23 1.02 -1.22 -2.14 119.74 122.45 1x1t s LYS 3 Ca 0.37 2.42 0.00 0.00 0.02 0.00 0.00 55.97 58.79 1x1t s LYS 3 Cb 0.38 -3.03 0.00 0.00 -0.52 0.00 0.00 37.83 34.66 1x1t s LYS 3 CO -0.08 -0.43 0.00 0.41 -0.92 0.00 0.00 175.35 174.34 1x1t n GLY 4 N 1.10 0.91 3.72 -3.33 0.00 -1.26 -4.99 105.19 101.35 1x1t n GLY 4 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 1x1t n GLY 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x1t s LYS 5 N -0.32 2.64 -0.12 1.61 1.02 -0.91 -5.01 119.74 118.65 1x1t s LYS 5 Ca 0.00 -0.94 0.01 0.00 0.02 0.00 0.00 55.97 55.07 1x1t s LYS 5 Cb 0.00 -2.52 -0.01 0.00 -0.52 0.00 0.00 37.83 34.77 1x1t s LYS 5 CO 0.00 0.49 -0.16 0.08 -0.92 0.00 0.00 175.35 174.84 1x1t s VAL 6 N -1.62 2.79 -0.07 3.17 1.01 -1.26 -0.82 120.40 123.60 1x1t s VAL 6 Ca 0.28 -0.76 0.05 0.00 0.00 0.00 0.00 61.98 61.55 1x1t s VAL 6 Cb -0.10 -2.14 -0.00 0.00 0.00 0.00 0.00 36.38 34.13 1x1t s VAL 6 CO 0.20 0.54 -0.22 0.00 0.00 0.00 0.00 175.10 175.62 1x1t s ALA 7 N 0.31 1.97 -0.20 5.51 0.00 -0.10 -1.22 121.76 128.04 1x1t s ALA 7 Ca -0.12 -0.90 -0.04 0.00 0.00 0.00 0.00 51.96 50.90 1x1t s ALA 7 Cb -0.16 -0.68 -0.02 0.00 0.00 0.00 0.00 23.12 22.26 1x1t s ALA 7 CO 0.06 0.32 -0.03 0.08 0.00 0.00 0.00 175.76 176.19 1x1t s VAL 8 N 0.13 3.65 -0.23 0.00 1.01 0.22 -1.19 120.40 124.00 1x1t s VAL 8 Ca -0.10 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 61.48 1x1t s VAL 8 Cb -0.15 -2.64 0.05 0.00 0.00 0.00 0.00 36.38 33.64 1x1t s VAL 8 CO 0.05 0.44 -0.12 -0.69 0.00 0.00 0.00 175.10 174.78 1x1t s VAL 9 N 1.04 2.00 0.43 2.92 1.01 -0.93 -0.53 120.40 126.33 1x1t s VAL 9 Ca 0.01 -1.34 -0.22 0.00 0.00 0.00 0.00 61.98 60.43 1x1t s VAL 9 Cb -0.15 -2.05 -0.09 0.00 0.00 0.00 0.00 36.38 34.09 1x1t s VAL 9 CO 0.01 0.12 1.01 0.42 0.00 0.00 0.00 175.10 176.66 1x1t s THR 10 N 1.22 3.94 -1.30 3.92 -4.23 -0.41 -3.48 115.64 115.29 1x1t s THR 10 Ca -0.04 1.33 -0.03 0.00 -1.18 0.00 0.00 61.69 61.77 1x1t s THR 10 Cb -0.18 -3.61 0.01 0.00 1.34 0.00 0.00 72.50 70.07 1x1t s THR 10 CO -0.07 -0.15 0.92 0.61 -0.54 0.00 0.00 174.62 175.39 1x1t n GLY 11 N -0.08 -0.38 1.22 3.99 0.00 -1.04 -3.09 105.19 105.81 1x1t n GLY 11 Ca 0.07 0.14 0.08 0.00 0.00 0.00 0.00 46.02 46.31 1x1t n GLY 11 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x1t n SER 12 N -3.05 4.41 -0.05 1.61 3.41 0.14 -3.78 113.62 116.30 1x1t n SER 12 Ca -0.21 -2.84 0.14 0.00 -0.26 0.00 0.00 58.87 55.70 1x1t n SER 12 Cb 0.64 -0.56 0.60 0.00 -0.26 0.00 0.00 64.21 64.63 1x1t n SER 12 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1x1t n THR 13 N 0.08 0.00 -3.86 6.66 -2.24 -1.14 -3.56 114.28 110.22 1x1t n THR 13 Ca 0.23 -0.03 -0.02 0.00 -2.27 0.00 0.00 64.05 61.96 1x1t n THR 13 Cb 0.93 -0.22 0.01 0.00 -2.10 0.00 0.00 70.33 68.96 1x1t n THR 13 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1x1t s SER 14 N -2.68 -0.02 0.56 3.42 1.04 -1.26 -4.92 113.70 109.83 1x1t s SER 14 Ca 0.23 -0.52 0.00 0.00 0.48 0.00 0.00 55.95 56.14 1x1t s SER 14 Cb 0.20 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.73 1x1t s SER 14 CO 0.51 -0.81 0.00 0.61 0.98 0.00 0.00 173.24 174.54 1x1t n GLY 15 N -0.69 2.23 0.21 7.32 0.00 -1.26 -2.31 105.19 110.69 1x1t n GLY 15 Ca -0.03 -0.29 -0.04 0.00 0.00 0.00 0.00 46.02 45.66 1x1t n GLY 15 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1x1t h ILE 16 N 0.00 0.95 -0.71 -0.61 2.04 -1.94 -2.12 117.51 115.13 1x1t h ILE 16 Ca 0.00 -0.17 0.05 0.00 1.00 0.00 0.00 64.86 65.74 1x1t h ILE 16 Cb 0.00 0.41 -0.05 0.00 -0.74 0.00 0.00 36.82 36.44 1x1t h ILE 16 CO 0.00 0.09 0.43 1.23 0.00 0.00 0.00 178.15 179.90 1x1t h GLY 17 N 0.49 1.04 1.18 5.37 0.00 -1.64 -0.15 103.07 109.37 1x1t h GLY 17 Ca 0.23 -0.31 -0.08 0.00 0.00 0.00 0.00 47.33 47.16 1x1t h GLY 17 CO -0.16 0.23 0.03 -2.00 0.00 0.00 0.00 176.54 174.64 1x1t h LEU 18 N 0.81 0.96 -0.85 3.11 5.85 -1.16 -0.40 115.31 123.63 1x1t h LEU 18 Ca 0.30 -0.25 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 1x1t h LEU 18 Cb 0.10 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.84 1x1t h LEU 18 CO -0.14 1.00 0.41 1.23 -0.34 0.00 0.00 178.44 180.60 1x1t h GLY 19 N 1.01 1.31 0.87 3.75 0.00 -0.67 0.03 103.07 109.38 1x1t h GLY 19 Ca 0.17 -0.65 -0.10 0.00 0.00 0.00 0.00 47.33 46.76 1x1t h GLY 19 CO 0.02 0.61 -0.23 -2.22 0.00 0.00 0.00 176.54 174.72 1x1t h ILE 20 N 1.21 1.32 -0.93 2.60 2.04 -0.74 -1.70 117.51 121.31 1x1t h ILE 20 Ca 0.29 -1.40 -0.01 0.00 1.00 0.00 0.00 64.86 64.74 1x1t h ILE 20 Cb 0.11 1.72 -0.04 0.00 -0.74 0.00 0.00 36.82 37.87 1x1t h ILE 20 CO -0.04 0.43 0.54 0.00 0.00 0.00 0.00 178.15 179.08 1x1t h ALA 21 N 0.66 1.20 -0.27 1.87 0.00 -0.88 -1.17 119.26 120.67 1x1t h ALA 21 Ca 0.03 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1x1t h ALA 21 Cb 0.79 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1x1t h ALA 21 CO 0.06 0.67 0.10 1.15 0.00 0.00 0.00 179.25 181.22 1x1t h THR 22 N 1.29 1.18 -0.82 0.00 2.02 -0.91 -0.61 112.91 115.06 1x1t h THR 22 Ca 0.33 -0.57 -0.02 0.00 0.77 0.00 0.00 66.41 66.92 1x1t h THR 22 Cb -0.02 1.06 -0.04 0.00 -1.74 0.00 0.00 68.15 67.41 1x1t h THR 22 CO -0.06 0.19 0.44 0.00 0.37 0.00 0.00 175.52 176.46 1x1t h ALA 23 N 0.94 1.05 -0.42 6.16 0.00 -0.96 -1.17 119.26 124.86 1x1t h ALA 23 Ca 0.09 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 1x1t h ALA 23 Cb 0.20 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1x1t h ALA 23 CO -0.01 0.57 -0.25 -0.07 0.00 0.00 0.00 179.25 179.50 1x1t h LEU 24 N 1.14 0.89 -0.90 0.00 3.38 -1.07 -2.84 115.31 115.92 1x1t h LEU 24 Ca 0.29 -0.34 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 1x1t h LEU 24 Cb 0.04 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 1x1t h LEU 24 CO -0.05 1.09 0.28 0.00 0.09 0.00 0.00 178.44 179.86 1x1t h ALA 25 N 0.97 1.12 0.00 1.53 0.00 -0.71 -1.40 119.26 120.77 1x1t h ALA 25 Ca 0.09 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1x1t h ALA 25 Cb 0.79 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1x1t h ALA 25 CO 0.07 0.62 0.00 0.00 0.00 0.00 0.00 179.25 179.94 1x1t h ALA 26 N 1.25 1.00 -0.04 0.00 0.00 -0.99 -0.21 119.26 120.26 1x1t h ALA 26 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1x1t h ALA 26 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1x1t h ALA 26 CO -0.02 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.27 1x1t n GLN 27 N -2.81 1.75 -0.29 0.00 1.13 -0.55 -4.93 117.38 111.68 1x1t n GLN 27 Ca -0.01 -1.09 0.00 0.00 -1.94 0.00 0.00 57.00 53.96 1x1t n GLN 27 Cb 0.17 -1.47 0.00 0.00 0.11 0.00 0.00 30.24 29.06 1x1t n GLN 27 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1x1t n GLY 28 N 1.19 0.81 3.81 1.08 0.00 -0.09 -0.19 105.19 111.80 1x1t n GLY 28 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 1x1t n GLY 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x1t s ALA 29 N -2.12 3.44 0.51 4.61 0.00 -1.05 -4.02 121.76 123.12 1x1t s ALA 29 Ca 0.00 0.19 -0.20 0.00 0.00 0.00 0.00 51.96 51.96 1x1t s ALA 29 Cb 0.00 -2.83 -0.08 0.00 0.00 0.00 0.00 23.12 20.21 1x1t s ALA 29 CO 0.00 0.33 1.06 -0.51 0.00 0.00 0.00 175.76 176.64 1x1t s ASP 30 N -1.50 6.15 0.03 0.00 1.01 0.00 -4.31 116.67 118.04 1x1t s ASP 30 Ca 0.40 1.99 0.06 0.00 0.71 0.00 0.00 52.55 55.71 1x1t s ASP 30 Cb -0.18 -2.56 -0.02 0.00 1.01 0.00 0.00 42.92 41.16 1x1t s ASP 30 CO 0.22 -0.92 -0.17 -0.63 0.21 0.00 0.00 175.17 173.89 1x1t s ILE 31 N -1.94 1.32 -0.27 0.77 -1.09 0.29 -0.93 121.20 119.35 1x1t s ILE 31 Ca 0.69 -0.97 0.03 0.00 -2.23 0.00 0.00 60.65 58.16 1x1t s ILE 31 Cb -0.18 -1.15 0.06 0.00 -1.58 0.00 0.00 42.46 39.61 1x1t s ILE 31 CO 0.22 0.16 -0.08 -0.69 -1.23 0.00 0.00 174.94 173.32 1x1t s VAL 32 N -0.70 2.23 0.53 2.92 1.01 -0.33 -0.88 120.40 125.18 1x1t s VAL 32 Ca 0.05 -1.71 -0.08 0.00 0.00 0.00 0.00 61.98 60.23 1x1t s VAL 32 Cb -0.08 -2.35 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 1x1t s VAL 32 CO 0.01 -0.10 0.89 -0.76 0.00 0.00 0.00 175.10 175.14 1x1t s LEU 33 N 1.08 3.48 0.04 3.92 1.43 0.14 -2.20 118.68 126.58 1x1t s LEU 33 Ca -0.06 1.17 -0.28 0.00 -1.03 0.00 0.00 54.13 53.93 1x1t s LEU 33 Cb -0.20 -4.16 0.07 0.00 0.03 0.00 0.00 46.19 41.93 1x1t s LEU 33 CO -0.05 -0.68 0.65 0.21 0.23 0.00 0.00 176.35 176.70 1x1t s ASN 34 N -4.02 -0.62 0.00 2.29 3.84 -1.23 -1.17 114.94 114.03 1x1t s ASN 34 Ca 0.51 0.40 0.00 0.00 0.21 0.00 0.00 52.86 53.98 1x1t s ASN 34 Cb -0.11 0.56 0.00 0.00 -0.55 0.00 0.00 41.25 41.16 1x1t s ASN 34 CO 0.47 -0.77 0.00 0.61 -2.79 0.00 0.00 177.10 174.62 1x1t n GLY 35 N 0.34 2.70 3.94 1.21 0.00 -1.25 0.24 105.19 112.37 1x1t n GLY 35 Ca -0.18 -1.88 -0.25 0.00 0.00 0.00 0.00 46.02 43.72 1x1t n GLY 35 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1x1t s PHE 36 N -1.83 3.08 -5.00 1.61 2.99 -1.26 -4.70 117.98 112.87 1x1t s PHE 36 Ca 0.00 0.38 0.00 0.00 0.00 0.00 0.00 56.93 57.31 1x1t s PHE 36 Cb 0.00 -2.77 0.00 0.00 0.00 0.00 0.00 43.02 40.25 1x1t s PHE 36 CO 0.00 -0.89 0.00 0.41 -0.00 0.00 0.00 175.22 174.74 1x1t n GLY 37 N -2.52 0.86 3.67 4.36 0.00 -1.26 -4.80 105.19 105.50 1x1t n GLY 37 Ca 0.05 -1.90 -0.43 0.00 0.00 0.00 0.00 46.02 43.75 1x1t n GLY 37 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1x1t s ASP 38 N -2.14 6.91 0.19 1.61 -1.08 -1.26 -4.94 116.67 115.95 1x1t s ASP 38 Ca 0.00 1.84 -0.13 0.00 -0.52 0.00 0.00 52.55 53.75 1x1t s ASP 38 Cb 0.00 -2.54 0.19 0.00 -1.46 0.00 0.00 42.92 39.10 1x1t s ASP 38 CO 0.00 -0.75 1.73 0.00 0.52 0.00 0.00 175.17 176.67 1x1t h ALA 39 N 8.24 0.59 -0.33 3.66 0.00 -1.98 0.12 119.26 129.55 1x1t h ALA 39 Ca -0.31 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1x1t h ALA 39 Cb 1.13 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1x1t h ALA 39 CO 0.95 -0.27 0.15 0.00 0.00 0.00 0.00 179.25 180.08 1x1t h ALA 40 N 1.36 0.43 -0.07 0.00 0.00 -2.00 -1.51 119.26 117.47 1x1t h ALA 40 Ca 0.25 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 1x1t h ALA 40 Cb 0.30 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1x1t h ALA 40 CO -0.29 0.00 -0.53 0.93 0.00 0.00 0.00 179.25 179.36 1x1t h GLU 41 N 0.39 0.19 -0.63 0.00 4.39 -1.90 -2.34 114.58 114.69 1x1t h GLU 41 Ca 0.11 -0.12 -0.09 0.00 0.34 0.00 0.00 59.36 59.60 1x1t h GLU 41 Cb 0.15 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.78 1x1t h GLU 41 CO -0.01 0.68 0.04 0.82 -1.16 0.00 0.00 179.01 179.38 1x1t h ILE 42 N 0.15 1.27 -0.69 3.13 2.04 -0.60 -1.24 117.51 121.57 1x1t h ILE 42 Ca 0.00 -1.11 -0.03 0.00 1.00 0.00 0.00 64.86 64.71 1x1t h ILE 42 Cb 0.99 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 37.79 1x1t h ILE 42 CO 0.08 0.41 0.29 -0.08 0.00 0.00 0.00 178.15 178.85 1x1t h GLU 43 N 0.99 1.00 -0.61 2.37 4.57 -1.06 0.11 114.58 121.95 1x1t h GLU 43 Ca 0.18 -0.16 -0.05 0.00 -1.18 0.00 0.00 59.36 58.16 1x1t h GLU 43 Cb 0.52 -0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 28.91 1x1t h GLU 43 CO 0.02 0.80 0.20 -0.22 -1.18 0.00 0.00 179.01 178.64 1x1t h LYS 44 N 0.99 0.95 -0.21 1.92 3.64 -0.98 0.80 116.57 123.67 1x1t h LYS 44 Ca 0.23 -0.20 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 1x1t h LYS 44 Cb 0.16 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1x1t h LYS 44 CO -0.02 0.83 0.06 0.28 -2.27 0.00 0.00 179.45 178.33 1x1t h VAL 45 N 0.87 1.20 0.36 2.00 2.07 -0.59 0.43 116.25 122.58 1x1t h VAL 45 Ca 0.20 -0.62 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 1x1t h VAL 45 Cb 0.27 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 1x1t h VAL 45 CO -0.01 0.20 -0.23 -0.09 0.02 0.00 0.00 177.57 177.46 1x1t h ARG 46 N 0.16 -0.54 -0.75 1.57 2.43 -0.56 -0.71 114.38 115.98 1x1t h ARG 46 Ca 0.07 0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1x1t h ARG 46 Cb 0.24 0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.88 1x1t h ARG 46 CO -0.00 -0.36 0.45 0.00 -1.51 0.00 0.00 179.97 178.55 1x1t h ALA 47 N 0.05 1.38 -0.16 2.80 0.00 -0.83 -2.22 119.26 120.28 1x1t h ALA 47 Ca -0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1x1t h ALA 47 Cb 0.47 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1x1t h ALA 47 CO 0.03 0.53 0.07 0.78 0.00 0.00 0.00 179.25 180.66 1x1t h GLY 48 N 1.06 0.26 1.00 0.00 0.00 -0.60 -1.87 103.07 102.92 1x1t h GLY 48 Ca 0.27 -0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.46 1x1t h GLY 48 CO -0.05 0.13 0.39 1.41 0.00 0.00 0.00 176.54 178.42 1x1t h LEU 49 N 0.11 0.81 -0.47 3.11 3.38 -0.89 0.40 115.31 121.76 1x1t h LEU 49 Ca 0.05 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1x1t h LEU 49 Cb 0.16 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1x1t h LEU 49 CO -0.00 0.65 0.25 0.00 0.09 0.00 0.00 178.44 179.42 1x1t h ALA 50 N 1.20 0.61 -0.20 1.53 0.00 -1.31 -1.97 119.26 119.12 1x1t h ALA 50 Ca 0.24 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.91 1x1t h ALA 50 Cb -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1x1t h ALA 50 CO -0.04 0.14 -0.44 0.00 0.00 0.00 0.00 179.25 178.91 1x1t h ALA 51 N 1.09 0.32 -0.28 0.00 0.00 -1.14 -0.34 119.26 118.92 1x1t h ALA 51 Ca 0.16 -0.47 -0.08 0.00 0.00 0.00 0.00 54.91 54.53 1x1t h ALA 51 Cb 0.07 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1x1t h ALA 51 CO -0.02 0.45 -0.15 0.37 0.00 0.00 0.00 179.25 179.89 1x1t h GLN 52 N 0.33 0.48 -0.04 0.00 4.15 -0.86 -3.25 115.11 115.92 1x1t h GLN 52 Ca 0.00 -0.15 0.00 0.00 0.77 0.00 0.00 58.65 59.27 1x1t h GLN 52 Cb 1.05 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.69 1x1t h GLN 52 CO 0.10 0.62 0.00 0.72 -1.93 0.00 0.00 178.83 178.34 1x1t n HIS 53 N -4.19 0.04 -3.59 3.99 8.25 -0.75 -5.01 115.22 113.97 1x1t n HIS 53 Ca 0.00 -0.05 -0.23 0.00 -0.26 0.00 0.00 57.72 57.19 1x1t n HIS 53 Cb 0.34 -0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.52 1x1t n HIS 53 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1x1t n GLY 54 N 0.58 -0.51 3.34 -1.41 0.00 -0.16 -4.85 105.19 102.18 1x1t n GLY 54 Ca 0.07 0.22 -0.17 0.00 0.00 0.00 0.00 46.02 46.14 1x1t n GLY 54 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1x1t s VAL 55 N -3.33 1.04 -0.07 1.61 -7.23 -1.04 -5.06 120.40 106.32 1x1t s VAL 55 Ca 0.47 -2.03 -0.25 0.00 -1.81 0.00 0.00 61.98 58.36 1x1t s VAL 55 Cb -0.21 -2.38 -0.03 0.00 0.56 0.00 0.00 36.38 34.32 1x1t s VAL 55 CO 0.74 -0.30 0.79 -0.75 -0.31 0.00 0.00 175.10 175.27 1x1t s LYS 56 N -3.87 4.44 -0.09 4.82 2.20 -1.26 -4.39 119.74 121.59 1x1t s LYS 56 Ca 0.29 1.03 0.00 0.00 -0.36 0.00 0.00 55.97 56.93 1x1t s LYS 56 Cb 0.06 -3.48 0.02 0.00 -1.51 0.00 0.00 37.83 32.92 1x1t s LYS 56 CO 0.09 -0.04 -0.08 0.08 -0.36 0.00 0.00 175.35 175.05 1x1t s VAL 57 N 1.11 0.94 0.34 4.02 1.01 -1.26 -0.55 120.40 126.02 1x1t s VAL 57 Ca 0.41 -0.28 0.09 0.00 0.00 0.00 0.00 61.98 62.20 1x1t s VAL 57 Cb -0.18 -0.94 -0.06 0.00 0.00 0.00 0.00 36.38 35.20 1x1t s VAL 57 CO 0.19 0.34 -0.04 -0.76 0.00 0.00 0.00 175.10 174.83 1x1t s LEU 58 N 1.36 2.87 -0.06 3.92 1.43 -0.05 -4.88 118.68 123.27 1x1t s LEU 58 Ca -0.02 -1.08 0.02 0.00 -1.03 0.00 0.00 54.13 52.01 1x1t s LEU 58 Cb -0.14 -1.20 0.02 0.00 0.03 0.00 0.00 46.19 44.91 1x1t s LEU 58 CO -0.04 -0.22 -0.08 -0.47 0.23 0.00 0.00 176.35 175.78 1x1t s TYR 59 N -2.56 1.09 -0.20 0.29 5.04 -1.26 0.27 117.35 120.03 1x1t s TYR 59 Ca 0.34 -0.37 -0.00 0.00 -2.44 0.00 0.00 57.07 54.59 1x1t s TYR 59 Cb 0.01 -0.87 0.05 0.00 0.35 0.00 0.00 41.96 41.50 1x1t s TYR 59 CO 0.18 -0.24 -0.05 0.34 -1.34 0.00 0.00 175.55 174.44 1x1t s ASP 60 N 0.83 3.27 -0.12 4.32 -1.08 -0.31 -4.95 116.67 118.63 1x1t s ASP 60 Ca -0.12 -0.89 0.01 0.00 -0.52 0.00 0.00 52.55 51.03 1x1t s ASP 60 Cb -0.15 -1.00 0.17 0.00 -1.46 0.00 0.00 42.92 40.48 1x1t s ASP 60 CO 0.01 -0.21 1.26 0.61 0.52 0.00 0.00 175.17 177.36 1x1t n GLY 61 N 4.80 2.66 3.65 2.66 0.00 -1.26 -3.87 105.19 113.83 1x1t n GLY 61 Ca -0.12 -0.29 -0.45 0.00 0.00 0.00 0.00 46.02 45.16 1x1t n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x1t n ALA 62 N 0.10 0.62 -2.68 4.61 0.00 -1.26 -4.78 120.51 117.12 1x1t n ALA 62 Ca 0.15 0.42 -0.42 0.00 0.00 0.00 0.00 53.44 53.59 1x1t n ALA 62 Cb 0.79 -2.20 -0.04 0.00 0.00 0.00 0.00 19.45 18.01 1x1t n ALA 62 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1x1t s ASP 63 N 0.10 6.26 0.00 0.00 3.68 -1.26 -4.62 116.67 120.83 1x1t s ASP 63 Ca 0.67 -0.49 0.08 0.00 2.13 0.00 0.00 52.55 54.94 1x1t s ASP 63 Cb -0.69 -2.48 0.46 0.00 -1.45 0.00 0.00 42.92 38.77 1x1t s ASP 63 CO 0.52 -1.48 0.92 0.18 0.13 0.00 0.00 175.17 175.44 1x1t n LEU 64 N 8.15 0.00 0.00 -1.34 4.77 -1.26 -2.42 117.00 124.90 1x1t n LEU 64 Ca 0.01 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.13 1x1t n LEU 64 Cb 0.47 0.00 0.62 0.00 -2.33 0.00 0.00 43.42 42.18 1x1t n LEU 64 CO 0.67 0.00 0.96 -1.54 -1.33 0.00 0.00 177.39 176.15 1x1t n SER 65 N -0.75 0.01 -4.30 -1.43 3.41 -1.26 -4.62 113.62 104.68 1x1t n SER 65 Ca 0.06 0.50 -0.35 0.00 -0.26 0.00 0.00 58.87 58.82 1x1t n SER 65 Cb 0.03 -0.50 -0.14 0.00 -0.26 0.00 0.00 64.21 63.33 1x1t n SER 65 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1x1t s LYS 66 N -3.00 3.35 0.25 4.33 -0.14 -1.01 -4.84 119.74 118.66 1x1t s LYS 66 Ca 0.14 -0.64 -0.04 0.00 -1.36 0.00 0.00 55.97 54.06 1x1t s LYS 66 Cb 0.19 -2.95 0.47 0.00 -1.68 0.00 0.00 37.83 33.85 1x1t s LYS 66 CO 0.53 -0.18 1.71 0.78 -0.76 0.00 0.00 175.35 177.43 1x1t h GLY 67 N 8.02 1.11 2.00 -3.33 0.00 -1.88 -0.79 103.07 108.20 1x1t h GLY 67 Ca -0.41 -0.10 -0.06 0.00 0.00 0.00 0.00 47.33 46.75 1x1t h GLY 67 CO 0.61 -0.15 -0.29 0.83 0.00 0.00 0.00 176.54 177.54 1x1t h GLU 68 N 0.37 0.00 -0.15 4.80 4.39 -1.95 -1.89 114.58 120.16 1x1t h GLU 68 Ca 0.42 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.95 1x1t h GLU 68 Cb 0.68 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.32 1x1t h GLU 68 CO -0.45 0.29 -0.62 0.00 -1.16 0.00 0.00 179.01 177.06 1x1t h ALA 69 N 1.71 0.63 -0.22 3.43 0.00 -1.44 -0.37 119.26 123.00 1x1t h ALA 69 Ca -0.00 -0.55 -0.05 0.00 0.00 0.00 0.00 54.91 54.31 1x1t h ALA 69 Cb 0.54 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1x1t h ALA 69 CO 0.04 0.71 -0.04 0.28 0.00 0.00 0.00 179.25 180.24 1x1t h VAL 70 N 0.39 1.28 -0.61 0.00 2.07 -0.97 -0.54 116.25 117.87 1x1t h VAL 70 Ca -0.01 -1.00 -0.04 0.00 0.82 0.00 0.00 66.70 66.47 1x1t h VAL 70 Cb 1.18 1.49 -0.03 0.00 -1.52 0.00 0.00 31.29 32.41 1x1t h VAL 70 CO 0.11 0.31 0.22 0.03 0.02 0.00 0.00 177.57 178.27 1x1t h ARG 71 N 0.16 0.89 -0.61 1.57 3.08 -1.32 -2.18 114.38 115.97 1x1t h ARG 71 Ca 0.06 -0.15 -0.06 0.00 0.07 0.00 0.00 59.98 59.90 1x1t h ARG 71 Cb 0.48 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.35 1x1t h ARG 71 CO 0.02 0.74 0.14 0.78 -1.07 0.00 0.00 179.97 180.58 1x1t h GLY 72 N 0.99 1.03 0.72 0.04 0.00 -0.76 -0.34 103.07 104.75 1x1t h GLY 72 Ca 0.20 -0.63 0.04 0.00 0.00 0.00 0.00 47.33 46.95 1x1t h GLY 72 CO -0.02 0.59 0.14 -2.00 0.00 0.00 0.00 176.54 175.25 1x1t h LEU 73 N 0.92 0.17 -0.35 3.11 5.85 -0.46 0.18 115.31 124.71 1x1t h LEU 73 Ca 0.19 0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.87 1x1t h LEU 73 Cb 0.35 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 1x1t h LEU 73 CO 0.00 0.13 -0.09 0.58 -0.34 0.00 0.00 178.44 178.72 1x1t h VAL 74 N 0.30 1.28 -0.39 1.05 2.07 -1.18 -1.76 116.25 117.62 1x1t h VAL 74 Ca 0.16 -1.17 0.03 0.00 0.82 0.00 0.00 66.70 66.55 1x1t h VAL 74 Cb 0.13 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 1x1t h VAL 74 CO -0.16 0.38 0.20 0.44 0.02 0.00 0.00 177.57 178.46 1x1t h ASP 75 N 0.48 0.29 0.70 0.57 3.32 -0.68 -1.82 116.42 119.28 1x1t h ASP 75 Ca 0.09 0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.07 1x1t h ASP 75 Cb 0.60 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 1x1t h ASP 75 CO 0.04 0.21 -0.42 0.78 -1.72 0.00 0.00 179.24 178.12 1x1t h ASN 76 N 0.40 0.00 -0.37 6.45 2.35 -0.96 -1.67 115.58 121.78 1x1t h ASN 76 Ca 0.16 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.87 1x1t h ASN 76 Cb 0.07 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 1x1t h ASN 76 CO -0.11 0.42 0.06 0.00 -1.65 0.00 0.00 177.43 176.15 1x1t h ALA 77 N 1.58 0.49 -0.55 -0.83 0.00 -0.75 -0.64 119.26 118.56 1x1t h ALA 77 Ca -0.00 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.62 1x1t h ALA 77 Cb 0.89 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1x1t h ALA 77 CO 0.06 0.21 0.04 0.28 0.00 0.00 0.00 179.25 179.83 1x1t h VAL 78 N 0.46 1.26 -0.54 0.00 2.07 -1.13 0.32 116.25 118.68 1x1t h VAL 78 Ca 0.11 -1.05 -0.03 0.00 0.82 0.00 0.00 66.70 66.56 1x1t h VAL 78 Cb 0.37 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 1x1t h VAL 78 CO 0.01 0.38 0.23 0.03 0.02 0.00 0.00 177.57 178.23 1x1t h ARG 79 N 0.82 0.81 0.02 1.57 3.08 -1.09 0.34 114.38 119.92 1x1t h ARG 79 Ca 0.16 -0.14 -0.28 0.00 0.07 0.00 0.00 59.98 59.79 1x1t h ARG 79 Cb 0.48 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.36 1x1t h ARG 79 CO 0.02 0.69 -1.52 1.96 -1.07 0.00 0.00 179.97 180.05 1x1t h GLN 80 N 0.74 0.05 0.00 0.04 4.20 -1.05 -3.37 115.11 115.72 1x1t h GLN 80 Ca 0.18 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.80 1x1t h GLN 80 Cb 0.18 0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.99 1x1t h GLN 80 CO -0.02 0.75 -1.56 -1.33 -0.67 0.00 0.00 178.83 176.00 1x1t n MET 81 N -3.21 0.44 0.00 1.46 2.81 0.11 -5.00 117.12 113.74 1x1t n MET 81 Ca -0.13 -0.11 0.00 0.00 -1.81 0.00 0.00 57.70 55.65 1x1t n MET 81 Cb 1.02 -1.54 0.00 0.00 -0.71 0.00 0.00 33.22 31.99 1x1t n MET 81 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1x1t n GLY 82 N 1.33 1.59 3.76 3.03 0.00 0.12 -4.97 105.19 110.04 1x1t n GLY 82 Ca -0.01 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.05 1x1t n GLY 82 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1x1t s ARG 83 N -0.62 0.12 -0.31 1.61 1.70 -1.22 -4.95 118.95 115.28 1x1t s ARG 83 Ca 0.00 -0.07 -0.02 0.00 -0.47 0.00 0.00 55.73 55.17 1x1t s ARG 83 Cb 0.00 0.04 0.12 0.00 -0.57 0.00 0.00 34.95 34.54 1x1t s ARG 83 CO 0.00 -0.06 0.21 -1.50 -1.08 0.00 0.00 175.30 172.88 1x1t s ILE 84 N -2.07 -0.15 -0.00 4.99 2.07 -1.26 -4.42 121.20 120.35 1x1t s ILE 84 Ca 0.22 -0.88 0.00 0.00 -1.41 0.00 0.00 60.65 58.58 1x1t s ILE 84 Cb 0.04 -0.98 -0.26 0.00 0.13 0.00 0.00 42.46 41.40 1x1t s ILE 84 CO -0.05 -0.69 0.84 0.44 -1.91 0.00 0.00 174.94 173.57 1x1t h ASP 85 N 7.99 0.28 -3.38 4.50 5.19 -1.48 -3.41 116.42 126.11 1x1t h ASP 85 Ca -0.11 -0.42 -0.51 0.00 -0.62 0.00 0.00 57.03 55.37 1x1t h ASP 85 Cb 1.02 -0.09 -0.34 0.00 0.18 0.00 0.00 39.33 40.10 1x1t h ASP 85 CO 0.36 1.35 -0.81 -0.63 -3.12 0.00 0.00 179.24 176.39 1x1t s ILE 86 N -2.62 1.08 -0.18 0.35 1.01 -0.36 -0.87 121.20 119.61 1x1t s ILE 86 Ca -0.08 -0.42 0.01 0.00 0.00 0.00 0.00 60.65 60.16 1x1t s ILE 86 Cb 0.07 -1.01 0.03 0.00 0.01 0.00 0.00 42.46 41.57 1x1t s ILE 86 CO 0.84 0.35 -0.13 -0.22 0.00 0.00 0.00 174.94 175.78 1x1t s LEU 87 N 0.87 2.13 -0.37 2.97 2.96 -0.20 -0.61 118.68 126.43 1x1t s LEU 87 Ca -0.11 -0.75 -0.08 0.00 -0.22 0.00 0.00 54.13 52.98 1x1t s LEU 87 Cb -0.15 -1.27 0.05 0.00 0.50 0.00 0.00 46.19 45.32 1x1t s LEU 87 CO 0.01 -0.10 0.17 -0.69 -1.32 0.00 0.00 176.35 174.42 1x1t s VAL 88 N 1.39 3.99 -0.67 1.68 1.01 0.31 -0.78 120.40 127.33 1x1t s VAL 88 Ca 0.01 -1.21 -0.21 0.00 0.00 0.00 0.00 61.98 60.57 1x1t s VAL 88 Cb -0.15 -3.33 0.09 0.00 0.00 0.00 0.00 36.38 32.99 1x1t s VAL 88 CO -0.10 -0.30 0.90 0.20 0.00 0.00 0.00 175.10 175.81 1x1t s ASN 89 N 1.64 6.22 -0.04 3.32 0.02 -0.64 -1.29 114.94 124.17 1x1t s ASN 89 Ca 0.01 -1.24 0.02 0.00 -1.02 0.00 0.00 52.86 50.62 1x1t s ASN 89 Cb -0.21 -2.38 -0.04 0.00 0.02 0.00 0.00 41.25 38.65 1x1t s ASN 89 CO 0.03 -1.30 -0.00 -3.20 0.02 0.00 0.00 177.10 172.64 1x1t n ASN 90 N 7.15 4.00 -4.57 -1.22 5.15 -1.25 -1.19 115.26 123.33 1x1t n ASN 90 Ca -0.03 -0.01 -0.47 0.00 -0.60 0.00 0.00 54.58 53.47 1x1t n ASN 90 Cb 0.45 0.37 -0.03 0.00 -0.53 0.00 0.00 39.78 40.04 1x1t n ASN 90 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1x1t n ALA 91 N -2.29 -0.79 -3.51 5.20 0.00 -1.18 -4.88 120.51 113.06 1x1t n ALA 91 Ca -0.06 0.44 -0.10 0.00 0.00 0.00 0.00 53.44 53.72 1x1t n ALA 91 Cb 0.60 -1.99 -0.03 0.00 0.00 0.00 0.00 19.45 18.03 1x1t n ALA 91 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1x1t s GLY 92 N -0.26 -0.45 0.26 0.00 0.00 -1.26 -4.52 107.32 101.09 1x1t s GLY 92 Ca 0.68 1.17 0.01 0.00 0.00 0.00 0.00 44.72 46.58 1x1t s GLY 92 CO 0.55 0.48 0.09 -0.26 0.00 0.00 0.00 173.10 173.96 1x1t s ILE 93 N -2.71 0.58 0.21 0.90 -4.36 -1.26 -5.04 121.20 109.52 1x1t s ILE 93 Ca 0.03 -2.00 -0.07 0.00 -0.26 0.00 0.00 60.65 58.35 1x1t s ILE 93 Cb -0.01 -2.63 -0.02 0.00 1.25 0.00 0.00 42.46 41.05 1x1t s ILE 93 CO -0.06 -0.02 0.28 0.00 0.24 0.00 0.00 174.94 175.38 1x1t s GLN 94 N -4.03 1.30 -0.29 0.37 -2.07 -1.26 -4.94 119.66 108.76 1x1t s GLN 94 Ca 0.37 -1.40 -0.16 0.00 -1.82 0.00 0.00 55.36 52.35 1x1t s GLN 94 Cb 0.08 0.36 0.12 0.00 -1.09 0.00 0.00 33.01 32.48 1x1t s GLN 94 CO 0.13 -0.48 0.88 -1.58 -1.32 0.00 0.00 175.29 172.92 1x1t s HIS 95 N -4.07 -0.74 -0.17 9.60 2.46 -1.26 -5.10 115.29 116.02 1x1t s HIS 95 Ca 0.28 1.50 -0.07 0.00 0.47 0.00 0.00 55.06 57.24 1x1t s HIS 95 Cb 0.04 0.44 -0.04 0.00 -0.13 0.00 0.00 32.58 32.89 1x1t s HIS 95 CO 0.08 -0.37 0.05 0.99 -2.47 0.00 0.00 174.74 173.03 1x1t s THR 96 N 1.40 4.71 0.00 0.89 2.01 -1.26 -4.70 115.64 118.69 1x1t s THR 96 Ca -0.09 -0.07 0.00 0.00 0.31 0.00 0.00 61.69 61.84 1x1t s THR 96 Cb -0.04 -3.10 0.00 0.00 0.01 0.00 0.00 72.50 69.37 1x1t s THR 96 CO -0.16 0.49 0.00 0.00 -0.69 0.00 0.00 174.62 174.26 1x1t n ALA 97 N 3.29 0.00 -1.57 7.40 0.00 -0.54 -5.05 120.51 124.04 1x1t n ALA 97 Ca -0.17 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 52.92 1x1t n ALA 97 Cb 0.53 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.03 1x1t n ALA 97 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1x1t s LEU 98 N 0.00 3.49 0.20 0.00 1.43 -1.26 -4.35 118.68 118.20 1x1t s LEU 98 Ca 0.00 2.24 -0.11 0.00 -1.03 0.00 0.00 54.13 55.24 1x1t s LEU 98 Cb 0.00 -4.58 0.26 0.00 0.03 0.00 0.00 46.19 41.90 1x1t s LEU 98 CO 0.00 -1.76 1.70 0.40 0.23 0.00 0.00 176.35 176.92 1x1t h ILE 99 N 0.33 0.64 0.00 -0.59 2.04 -1.96 0.05 117.51 118.02 1x1t h ILE 99 Ca -0.49 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.30 1x1t h ILE 99 Cb 1.28 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.75 1x1t h ILE 99 CO 0.53 0.04 0.00 1.05 0.00 0.00 0.00 178.15 179.78 1x1t h GLU 100 N 0.23 0.00 -0.02 2.37 9.09 -2.05 -2.35 114.58 121.86 1x1t h GLU 100 Ca 0.30 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.71 1x1t h GLU 100 Cb 0.44 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.54 1x1t h GLU 100 CO -0.40 0.00 -0.01 -0.25 0.05 0.00 0.00 179.01 178.40 1x1t n ASP 101 N -2.34 2.25 -4.63 3.06 8.00 -0.21 -4.98 116.55 117.71 1x1t n ASP 101 Ca 0.01 -1.63 -0.43 0.00 0.71 0.00 0.00 54.79 53.46 1x1t n ASP 101 Cb 0.20 0.02 -0.02 0.00 -0.02 0.00 0.00 41.12 41.30 1x1t n ASP 101 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1x1t s PHE 102 N -1.31 2.40 0.24 1.24 5.36 -0.17 -4.83 117.98 120.91 1x1t s PHE 102 Ca 0.18 0.70 -0.31 0.00 -0.96 0.00 0.00 56.93 56.54 1x1t s PHE 102 Cb 0.13 -3.93 -0.12 0.00 -0.34 0.00 0.00 43.02 38.76 1x1t s PHE 102 CO 0.20 -2.34 1.68 -2.30 -1.46 0.00 0.00 175.22 171.00 1x1t n PRO 103 N 7.46 2.74 -0.16 10.12 -0.02 -1.26 -4.86 135.00 149.02 1x1t n PRO 103 Ca 0.17 0.98 0.07 0.00 -2.02 0.00 0.00 63.50 62.70 1x1t n PRO 103 Cb 0.46 -2.81 0.38 0.00 -0.02 0.00 0.00 33.50 31.50 1x1t n PRO 103 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1x1t h THR 104 N 3.65 1.01 -0.93 3.45 2.02 -1.98 -0.30 112.91 119.82 1x1t h THR 104 Ca -0.44 -0.24 0.01 0.00 0.77 0.00 0.00 66.41 66.50 1x1t h THR 104 Cb 1.21 0.25 -0.05 0.00 -1.74 0.00 0.00 68.15 67.82 1x1t h THR 104 CO 0.90 0.13 0.60 -0.33 0.37 0.00 0.00 175.52 177.19 1x1t h GLU 105 N 0.70 1.23 -0.14 6.66 3.07 -1.99 0.18 114.58 124.28 1x1t h GLU 105 Ca 0.30 -0.08 -0.22 0.00 -0.50 0.00 0.00 59.36 58.86 1x1t h GLU 105 Cb 0.28 -0.27 0.01 0.00 -0.84 0.00 0.00 28.75 27.93 1x1t h GLU 105 CO -0.10 0.82 -0.78 0.87 -1.40 0.00 0.00 179.01 178.43 1x1t h LYS 106 N 1.26 0.74 -0.06 2.33 1.79 -1.48 -1.73 116.57 119.42 1x1t h LYS 106 Ca 0.34 -0.60 0.00 0.00 -2.18 0.00 0.00 60.65 58.21 1x1t h LYS 106 Cb -0.13 0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 30.64 1x1t h LYS 106 CO -0.07 1.22 0.03 2.35 -1.08 0.00 0.00 179.45 181.89 1x1t h TRP 107 N 0.50 0.05 -0.58 -1.35 2.91 -0.75 -0.94 115.95 115.79 1x1t h TRP 107 Ca -0.05 0.00 -0.00 0.00 1.13 0.00 0.00 58.89 59.97 1x1t h TRP 107 Cb 1.40 -0.01 -0.03 0.00 -0.51 0.00 0.00 29.16 30.01 1x1t h TRP 107 CO 0.08 0.03 0.35 -0.44 -1.03 0.00 0.00 178.44 177.42 1x1t h ASP 108 N 0.06 0.70 -0.51 2.65 3.32 -0.97 -1.72 116.42 119.96 1x1t h ASP 108 Ca 0.03 -0.06 -0.02 0.00 0.02 0.00 0.00 57.03 56.99 1x1t h ASP 108 Cb 0.01 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 1x1t h ASP 108 CO -0.02 0.56 0.22 0.00 -1.72 0.00 0.00 179.24 178.28 1x1t h ALA 109 N 1.17 0.66 -0.47 3.45 0.00 -1.09 -0.15 119.26 122.83 1x1t h ALA 109 Ca 0.21 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1x1t h ALA 109 Cb -0.01 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1x1t h ALA 109 CO -0.04 0.24 0.08 0.82 0.00 0.00 0.00 179.25 180.35 1x1t h ILE 110 N 0.68 1.25 -0.55 0.00 2.04 -1.01 -1.99 117.51 117.93 1x1t h ILE 110 Ca 0.17 -0.91 -0.09 0.00 1.00 0.00 0.00 64.86 65.03 1x1t h ILE 110 Cb 0.16 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 1x1t h ILE 110 CO -0.02 0.32 -0.02 -0.07 0.00 0.00 0.00 178.15 178.37 1x1t h LEU 111 N 0.66 0.93 -0.36 1.44 4.07 -1.15 0.60 115.31 121.51 1x1t h LEU 111 Ca 0.14 -0.26 -0.01 0.00 0.08 0.00 0.00 57.88 57.84 1x1t h LEU 111 Cb 0.39 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 41.86 1x1t h LEU 111 CO 0.01 1.00 0.20 0.00 -1.08 0.00 0.00 178.44 178.57 1x1t h ALA 112 N 1.09 0.46 0.01 1.53 0.00 -0.78 -0.00 119.26 121.58 1x1t h ALA 112 Ca 0.16 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 1x1t h ALA 112 Cb 0.54 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1x1t h ALA 112 CO 0.03 -0.01 -0.81 1.25 0.00 0.00 0.00 179.25 179.71 1x1t h LEU 113 N 0.46 0.04 -1.21 0.00 5.85 -1.33 -1.52 115.31 117.60 1x1t h LEU 113 Ca 0.13 -0.72 -0.05 0.00 0.84 0.00 0.00 57.88 58.07 1x1t h LEU 113 Cb 0.06 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 1x1t h LEU 113 CO -0.02 1.32 -0.25 0.78 -0.34 0.00 0.00 178.44 179.93 1x1t h ASN 114 N -0.93 0.00 0.00 1.25 4.21 -0.99 -3.31 115.58 115.81 1x1t h ASN 114 Ca -0.22 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.29 1x1t h ASN 114 Cb 1.24 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.44 1x1t h ASN 114 CO -0.11 0.25 0.00 -0.11 -1.29 0.00 0.00 177.43 176.18 1x1t n LEU 115 N -3.49 1.06 0.03 1.61 7.94 -0.71 -4.73 117.00 118.71 1x1t n LEU 115 Ca -0.00 0.14 0.08 0.00 -1.11 0.00 0.00 56.01 55.12 1x1t n LEU 115 Cb 0.42 -0.31 0.50 0.00 0.53 0.00 0.00 43.42 44.55 1x1t n LEU 115 CO 0.34 -0.75 1.15 0.28 -1.11 0.00 0.00 177.39 177.30 1x1t h SER 116 N 0.00 0.33 0.21 1.96 0.02 -0.99 -0.89 113.55 114.19 1x1t h SER 116 Ca 0.00 -0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 1x1t h SER 116 Cb 0.00 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 1x1t h SER 116 CO 0.00 0.23 -0.18 0.00 -1.14 0.00 0.00 176.83 175.74 1x1t h ALA 117 N 1.78 1.63 -0.48 3.77 0.00 -1.37 -1.00 119.26 123.59 1x1t h ALA 117 Ca 0.16 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 1x1t h ALA 117 Cb 0.16 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1x1t h ALA 117 CO -0.04 0.23 -0.23 0.28 0.00 0.00 0.00 179.25 179.49 1x1t h VAL 118 N 0.00 1.27 0.32 0.00 2.07 -1.38 -1.11 116.25 117.41 1x1t h VAL 118 Ca -0.00 -1.40 -0.02 0.00 0.82 0.00 0.00 66.70 66.10 1x1t h VAL 118 Cb 0.34 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1x1t h VAL 118 CO 0.02 0.48 -0.15 0.15 0.02 0.00 0.00 177.57 178.09 1x1t h PHE 119 N 0.86 -0.40 -0.66 1.57 3.57 -1.17 -0.99 116.94 119.73 1x1t h PHE 119 Ca 0.11 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.60 1x1t h PHE 119 Cb 0.81 0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.65 1x1t h PHE 119 CO 0.05 -0.16 0.42 0.45 -2.23 0.00 0.00 178.31 176.84 1x1t h HIS 120 N -0.56 0.84 -0.26 0.41 3.86 -1.20 0.64 115.15 118.88 1x1t h HIS 120 Ca -0.04 0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.15 1x1t h HIS 120 Cb 0.41 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 28.59 1x1t h HIS 120 CO -0.02 0.55 0.05 0.78 0.86 0.00 0.00 177.93 180.15 1x1t h GLY 121 N 0.89 0.46 0.98 2.45 0.00 -1.20 -2.23 103.07 104.42 1x1t h GLY 121 Ca 0.24 -0.30 -0.01 0.00 0.00 0.00 0.00 47.33 47.26 1x1t h GLY 121 CO -0.05 0.28 0.26 -0.84 0.00 0.00 0.00 176.54 176.19 1x1t h THR 122 N 0.24 1.16 -0.72 4.70 2.02 -0.97 -1.83 112.91 117.52 1x1t h THR 122 Ca 0.08 -0.41 0.05 0.00 0.77 0.00 0.00 66.41 66.90 1x1t h THR 122 Cb 0.31 0.58 -0.05 0.00 -1.74 0.00 0.00 68.15 67.25 1x1t h THR 122 CO 0.00 0.17 0.43 0.00 0.37 0.00 0.00 175.52 176.49 1x1t h ALA 123 N 1.11 0.96 -0.08 6.16 0.00 -0.76 -0.87 119.26 125.78 1x1t h ALA 123 Ca 0.17 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.94 1x1t h ALA 123 Cb 0.04 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1x1t h ALA 123 CO -0.03 0.16 -0.54 0.00 0.00 0.00 0.00 179.25 178.84 1x1t h ALA 124 N 1.34 0.94 0.12 0.00 0.00 -1.17 -3.30 119.26 117.19 1x1t h ALA 124 Ca 0.31 -0.50 -0.27 0.00 0.00 0.00 0.00 54.91 54.44 1x1t h ALA 124 Cb 0.12 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1x1t h ALA 124 CO -0.15 0.68 -1.25 0.00 0.00 0.00 0.00 179.25 178.53 1x1t h ALA 125 N 1.26 0.11 -0.73 0.00 0.00 -0.84 -3.39 119.26 115.68 1x1t h ALA 125 Ca 0.00 -0.90 0.13 0.00 0.00 0.00 0.00 54.91 54.15 1x1t h ALA 125 Cb 1.01 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.72 1x1t h ALA 125 CO 0.08 0.99 0.28 -0.07 0.00 0.00 0.00 179.25 180.53 1x1t h LEU 126 N 0.07 0.25 -1.15 0.00 3.38 -1.25 -1.92 115.31 114.68 1x1t h LEU 126 Ca -0.14 0.11 0.07 0.00 0.09 0.00 0.00 57.88 58.01 1x1t h LEU 126 Cb 1.97 0.09 -0.06 0.00 0.09 0.00 0.00 40.66 42.75 1x1t h LEU 126 CO 0.20 0.10 0.59 -0.65 0.09 0.00 0.00 178.44 178.76 1x1t h PRO 127 N 0.43 0.98 -0.08 1.13 0.11 -1.76 0.07 132.00 132.87 1x1t h PRO 127 Ca 0.39 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.42 1x1t h PRO 127 Cb 0.59 -0.22 -0.00 0.00 0.11 0.00 0.00 31.00 31.47 1x1t h PRO 127 CO -0.39 0.65 -0.06 0.45 -0.21 0.00 0.00 178.00 178.43 1x1t h HIS 128 N 1.01 0.22 -0.67 0.65 3.86 -1.62 -2.48 115.15 116.11 1x1t h HIS 128 Ca 0.39 -0.06 -0.03 0.00 -1.16 0.00 0.00 60.37 59.51 1x1t h HIS 128 Cb 0.23 -0.05 -0.03 0.00 1.06 0.00 0.00 27.41 28.62 1x1t h HIS 128 CO -0.00 0.59 0.28 0.52 0.86 0.00 0.00 177.93 180.18 1x1t h MET 129 N -0.21 0.98 -0.56 2.45 2.86 -0.98 0.22 114.93 119.68 1x1t h MET 129 Ca 0.02 -0.15 -0.11 0.00 -2.06 0.00 0.00 59.70 57.39 1x1t h MET 129 Cb 0.55 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 32.01 1x1t h MET 129 CO 0.02 0.79 -0.07 0.87 1.06 0.00 0.00 176.91 179.57 1x1t h LYS 130 N 0.97 1.04 -0.34 1.72 1.57 -1.00 -0.23 116.57 120.30 1x1t h LYS 130 Ca 0.23 -0.37 -0.17 0.00 -1.87 0.00 0.00 60.65 58.48 1x1t h LYS 130 Cb 0.16 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.39 1x1t h LYS 130 CO -0.02 1.06 -0.44 -0.22 -0.57 0.00 0.00 179.45 179.26 1x1t h LYS 131 N 0.94 0.87 -0.00 3.15 3.11 -1.08 -3.05 116.57 120.50 1x1t h LYS 131 Ca 0.15 -0.49 -0.09 0.00 -2.81 0.00 0.00 60.65 57.42 1x1t h LYS 131 Cb 0.64 0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 31.89 1x1t h LYS 131 CO 0.04 1.13 -0.41 1.96 -2.81 0.00 0.00 179.45 179.37 1x1t h GLN 132 N 0.70 0.01 0.00 1.90 4.20 -0.82 -3.47 115.11 117.63 1x1t h GLN 132 Ca 0.04 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.75 1x1t h GLN 132 Cb 1.03 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.81 1x1t h GLN 132 CO 0.10 0.41 0.00 0.41 -0.67 0.00 0.00 178.83 179.08 1x1t n GLY 133 N -0.36 0.53 3.27 3.46 0.00 -0.13 -5.02 105.19 106.95 1x1t n GLY 133 Ca -0.02 -0.38 -0.13 0.00 0.00 0.00 0.00 46.02 45.50 1x1t n GLY 133 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1x1t s PHE 134 N -2.00 -0.45 -0.20 1.61 5.36 -1.04 -4.34 117.98 116.92 1x1t s PHE 134 Ca 0.00 1.06 -0.28 0.00 -0.96 0.00 0.00 56.93 56.75 1x1t s PHE 134 Cb 0.00 0.16 0.12 0.00 -0.34 0.00 0.00 43.02 42.96 1x1t s PHE 134 CO 0.00 -0.22 0.99 0.20 -1.46 0.00 0.00 175.22 174.72 1x1t s GLY 135 N 0.38 -0.25 -0.18 13.12 0.00 -0.61 -4.52 107.32 115.26 1x1t s GLY 135 Ca -0.01 2.23 -0.05 0.00 0.00 0.00 0.00 44.72 46.89 1x1t s GLY 135 CO -0.01 1.34 0.11 0.50 0.00 0.00 0.00 173.10 175.04 1x1t s ARG 136 N -0.58 0.09 -0.24 2.90 1.81 -0.05 -1.77 118.95 121.10 1x1t s ARG 136 Ca -0.00 -0.09 -0.07 0.00 -1.72 0.00 0.00 55.73 53.85 1x1t s ARG 136 Cb -0.02 -1.70 -0.03 0.00 -0.45 0.00 0.00 34.95 32.75 1x1t s ARG 136 CO -0.01 -0.70 0.05 0.42 -0.68 0.00 0.00 175.30 174.38 1x1t s ILE 137 N 2.16 4.18 -0.27 1.52 1.01 -0.15 -1.03 121.20 128.61 1x1t s ILE 137 Ca 0.03 -0.22 0.03 0.00 0.00 0.00 0.00 60.65 60.49 1x1t s ILE 137 Cb -0.16 -2.94 0.07 0.00 0.01 0.00 0.00 42.46 39.43 1x1t s ILE 137 CO -0.12 0.36 -0.08 -0.63 0.00 0.00 0.00 174.94 174.47 1x1t s ILE 138 N 1.54 2.10 -0.17 2.92 1.01 0.04 -1.52 121.20 127.12 1x1t s ILE 138 Ca 0.06 -1.69 -0.14 0.00 0.00 0.00 0.00 60.65 58.88 1x1t s ILE 138 Cb -0.15 -2.28 -0.05 0.00 0.01 0.00 0.00 42.46 39.99 1x1t s ILE 138 CO 0.03 -0.12 0.28 0.20 0.00 0.00 0.00 174.94 175.32 1x1t s ASN 139 N 1.11 6.40 -0.63 3.58 0.02 -0.01 -1.62 114.94 123.79 1x1t s ASN 139 Ca -0.06 0.46 -0.20 0.00 -1.02 0.00 0.00 52.86 52.04 1x1t s ASN 139 Cb -0.20 -2.17 0.09 0.00 0.02 0.00 0.00 41.25 38.99 1x1t s ASN 139 CO -0.06 0.08 0.82 -0.63 0.02 0.00 0.00 177.10 177.34 1x1t s ILE 140 N 0.59 4.63 0.00 0.60 -1.09 -0.34 -0.49 121.20 125.10 1x1t s ILE 140 Ca 0.15 -0.78 0.00 0.00 -2.23 0.00 0.00 60.65 57.80 1x1t s ILE 140 Cb -0.13 -4.58 0.00 0.00 -1.58 0.00 0.00 42.46 36.17 1x1t s ILE 140 CO 0.04 -1.27 0.00 0.00 -1.23 0.00 0.00 174.94 172.48 1x1t n ALA 141 N 6.86 0.00 0.00 9.38 0.00 0.50 -4.82 120.51 132.43 1x1t n ALA 141 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1x1t n ALA 141 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 1x1t n ALA 141 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1x1t n SER 142 N 0.00 0.00 0.27 0.00 2.88 -1.25 -4.59 113.62 110.94 1x1t n SER 142 Ca 0.00 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.66 1x1t n SER 142 Cb 0.00 0.00 0.78 0.00 -0.75 0.00 0.00 64.21 64.24 1x1t n SER 142 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1x1t h ALA 143 N 0.00 1.52 0.00 -1.46 0.00 -1.40 0.04 119.26 117.97 1x1t h ALA 143 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1x1t h ALA 143 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1x1t h ALA 143 CO 0.00 0.07 0.00 0.72 0.00 0.00 0.00 179.25 180.04 1x1t n HIS 144 N -3.91 0.00 1.02 0.00 8.25 -1.26 -1.29 115.22 118.03 1x1t n HIS 144 Ca -0.03 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.54 1x1t n HIS 144 Cb 0.15 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.26 1x1t n HIS 144 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1x1t n GLY 145 N 0.34 -0.51 0.00 -1.41 0.00 0.00 -4.09 105.19 99.52 1x1t n GLY 145 Ca 0.03 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.46 1x1t n GLY 145 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x1t n LEU 146 N -0.75 0.08 -4.29 0.99 4.77 -0.41 -4.16 117.00 113.22 1x1t n LEU 146 Ca 0.07 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.88 1x1t n LEU 146 Cb 0.40 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.39 1x1t n LEU 146 CO 0.34 0.01 -0.19 0.68 -1.33 0.00 0.00 177.39 176.91 1x1t s VAL 147 N -1.98 0.15 0.38 4.08 -7.23 -0.50 -5.14 120.40 110.16 1x1t s VAL 147 Ca 0.00 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.24 1x1t s VAL 147 Cb 0.00 -2.51 -0.07 0.00 0.56 0.00 0.00 36.38 34.36 1x1t s VAL 147 CO 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 175.10 174.78 1x1t s ALA 148 N -3.71 3.03 0.01 1.32 0.00 -1.26 -4.13 121.76 117.01 1x1t s ALA 148 Ca 0.38 -2.23 -0.01 0.00 0.00 0.00 0.00 51.96 50.10 1x1t s ALA 148 Cb 0.05 0.16 -0.01 0.00 0.00 0.00 0.00 23.12 23.32 1x1t s ALA 148 CO 0.19 -0.09 0.00 -1.12 0.00 0.00 0.00 175.76 174.74 1x1t s SER 149 N -3.66 0.12 0.61 0.00 0.01 -1.26 -5.06 113.70 104.46 1x1t s SER 149 Ca 0.34 -0.25 -0.18 0.00 1.31 0.00 0.00 55.95 57.17 1x1t s SER 149 Cb 0.08 0.08 -0.02 0.00 0.21 0.00 0.00 66.02 66.37 1x1t s SER 149 CO 0.17 -0.18 1.22 0.00 0.41 0.00 0.00 173.24 174.86 1x1t s ALA 150 N -0.85 2.48 -0.10 1.44 0.00 -1.26 -3.43 121.76 120.04 1x1t s ALA 150 Ca -0.09 1.03 0.00 0.00 0.00 0.00 0.00 51.96 52.90 1x1t s ALA 150 Cb -0.06 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.59 1x1t s ALA 150 CO -0.00 -1.30 0.00 0.09 0.00 0.00 0.00 175.76 174.54 1x1t n ASN 151 N -1.75 -4.26 -2.33 0.00 3.02 -1.26 -4.88 115.26 103.80 1x1t n ASN 151 Ca 0.14 0.02 -0.16 0.00 -0.03 0.00 0.00 54.58 54.56 1x1t n ASN 151 Cb 0.49 -1.84 0.03 0.00 -0.61 0.00 0.00 39.78 37.85 1x1t n ASN 151 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1x1t n LYS 152 N -1.45 2.93 -0.07 3.52 5.02 -1.22 -1.46 118.16 125.43 1x1t n LYS 152 Ca -0.01 -3.95 -0.07 0.00 -2.02 0.00 0.00 58.31 52.26 1x1t n LYS 152 Cb 0.22 -2.03 -0.01 0.00 -0.02 0.00 0.00 35.03 33.19 1x1t n LYS 152 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1x1t h SER 153 N 2.36 -0.61 -0.42 4.39 4.64 -1.83 -0.04 113.55 122.05 1x1t h SER 153 Ca 0.19 0.13 -0.02 0.00 -0.47 0.00 0.00 61.79 61.62 1x1t h SER 153 Cb 1.41 0.31 -0.02 0.00 -0.31 0.00 0.00 62.40 63.80 1x1t h SER 153 CO 0.57 -0.22 0.20 0.00 -0.87 0.00 0.00 176.83 176.51 1x1t h ALA 154 N 1.01 0.54 -0.21 5.18 0.00 -1.91 -0.52 119.26 123.34 1x1t h ALA 154 Ca 0.15 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1x1t h ALA 154 Cb 0.39 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1x1t h ALA 154 CO -0.38 0.11 0.08 -0.92 0.00 0.00 0.00 179.25 178.14 1x1t h TYR 155 N 0.54 0.32 -0.59 0.00 5.03 -1.82 -0.04 116.97 120.41 1x1t h TYR 155 Ca 0.14 -0.02 -0.05 0.00 2.58 0.00 0.00 58.73 61.38 1x1t h TYR 155 Cb 0.12 -0.10 -0.02 0.00 1.55 0.00 0.00 36.73 38.28 1x1t h TYR 155 CO -0.01 0.36 0.15 0.28 -1.32 0.00 0.00 178.16 177.62 1x1t h VAL 156 N 0.19 1.25 -0.30 1.81 2.07 -0.94 0.27 116.25 120.58 1x1t h VAL 156 Ca 0.07 -0.88 -0.01 0.00 0.82 0.00 0.00 66.70 66.69 1x1t h VAL 156 Cb 0.18 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1x1t h VAL 156 CO -0.01 0.33 0.13 0.00 0.02 0.00 0.00 177.57 178.05 1x1t h ALA 157 N 1.04 0.39 -0.39 1.67 0.00 -0.95 -0.63 119.26 120.39 1x1t h ALA 157 Ca 0.19 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1x1t h ALA 157 Cb 0.33 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1x1t h ALA 157 CO -0.00 -0.03 0.20 0.00 0.00 0.00 0.00 179.25 179.42 1x1t h ALA 158 N 0.98 0.51 -0.41 0.00 0.00 -0.78 -0.51 119.26 119.06 1x1t h ALA 158 Ca 0.10 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 1x1t h ALA 158 Cb 0.15 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1x1t h ALA 158 CO -0.01 0.06 -0.14 0.87 0.00 0.00 0.00 179.25 180.03 1x1t h LYS 159 N 0.50 0.74 -0.67 0.00 1.79 -0.83 0.06 116.57 118.17 1x1t h LYS 159 Ca 0.14 -0.25 -0.08 0.00 -2.18 0.00 0.00 60.65 58.27 1x1t h LYS 159 Cb 0.10 -0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 30.67 1x1t h LYS 159 CO -0.02 0.84 0.10 0.45 -1.08 0.00 0.00 179.45 179.75 1x1t h HIS 160 N 0.67 1.18 -0.92 -1.35 3.86 -0.95 -1.93 115.15 115.71 1x1t h HIS 160 Ca 0.11 -0.17 0.03 0.00 -1.16 0.00 0.00 60.37 59.18 1x1t h HIS 160 Cb 0.61 -0.32 -0.05 0.00 1.06 0.00 0.00 27.41 28.71 1x1t h HIS 160 CO 0.03 0.99 0.60 0.78 0.86 0.00 0.00 177.93 181.19 1x1t h GLY 161 N 1.03 1.32 1.01 2.45 0.00 -0.34 -1.50 103.07 107.05 1x1t h GLY 161 Ca 0.20 -0.46 -0.02 0.00 0.00 0.00 0.00 47.33 47.05 1x1t h GLY 161 CO 0.01 0.42 0.35 -2.08 0.00 0.00 0.00 176.54 175.24 1x1t h VAL 162 N 1.18 1.23 -0.39 4.60 2.07 -0.53 0.45 116.25 124.87 1x1t h VAL 162 Ca 0.36 -0.64 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 1x1t h VAL 162 Cb -0.04 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.04 1x1t h VAL 162 CO -0.10 0.27 0.24 0.58 0.02 0.00 0.00 177.57 178.58 1x1t h VAL 163 N 0.99 1.12 -0.47 2.57 2.07 -0.64 0.61 116.25 122.50 1x1t h VAL 163 Ca 0.25 -0.26 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 1x1t h VAL 163 Cb 0.10 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 1x1t h VAL 163 CO -0.03 0.12 0.16 1.23 0.02 0.00 0.00 177.57 179.06 1x1t h GLY 164 N 0.51 0.78 1.30 2.17 0.00 -0.96 -2.39 103.07 104.48 1x1t h GLY 164 Ca 0.14 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 47.01 1x1t h GLY 164 CO -0.03 0.42 0.38 -2.75 0.00 0.00 0.00 176.54 174.56 1x1t h PHE 165 N 0.62 0.90 -0.58 5.60 3.57 -0.62 -2.01 116.94 124.43 1x1t h PHE 165 Ca 0.15 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 1x1t h PHE 165 Cb 0.25 -0.29 -0.03 0.00 2.79 0.00 0.00 35.95 38.67 1x1t h PHE 165 CO 0.01 0.63 0.33 1.15 -2.23 0.00 0.00 178.31 178.20 1x1t h THR 166 N 0.94 1.18 -0.56 4.41 2.02 -0.55 -0.72 112.91 119.62 1x1t h THR 166 Ca 0.24 -0.44 -0.01 0.00 0.77 0.00 0.00 66.41 66.97 1x1t h THR 166 Cb 0.01 0.43 -0.03 0.00 -1.74 0.00 0.00 68.15 66.82 1x1t h THR 166 CO -0.04 0.19 0.31 0.11 0.37 0.00 0.00 175.52 176.47 1x1t h LYS 167 N 0.78 0.78 -0.43 6.66 1.57 -0.89 -1.37 116.57 123.67 1x1t h LYS 167 Ca 0.20 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.87 1x1t h LYS 167 Cb 0.02 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 1x1t h LYS 167 CO -0.04 0.60 0.18 0.28 -0.57 0.00 0.00 179.45 179.90 1x1t h VAL 168 N 0.76 1.20 -0.65 0.50 2.07 -1.06 -1.58 116.25 117.49 1x1t h VAL 168 Ca 0.20 -0.60 0.09 0.00 0.82 0.00 0.00 66.70 67.21 1x1t h VAL 168 Cb 0.04 0.79 -0.07 0.00 -1.52 0.00 0.00 31.29 30.53 1x1t h VAL 168 CO -0.03 0.22 0.31 0.74 0.02 0.00 0.00 177.57 178.82 1x1t h THR 169 N 0.55 0.84 -0.51 2.57 2.02 -0.81 -0.72 112.91 116.86 1x1t h THR 169 Ca 0.14 -0.18 -0.02 0.00 0.77 0.00 0.00 66.41 67.12 1x1t h THR 169 Cb 0.18 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 66.83 1x1t h THR 169 CO -0.01 0.10 0.22 0.00 0.37 0.00 0.00 175.52 176.20 1x1t h ALA 170 N 1.40 0.66 -0.25 6.16 0.00 -0.92 -2.44 119.26 123.87 1x1t h ALA 170 Ca 0.32 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 1x1t h ALA 170 Cb 0.33 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1x1t h ALA 170 CO -0.26 0.24 -0.22 -0.07 0.00 0.00 0.00 179.25 178.95 1x1t h LEU 171 N 0.68 0.44 -0.55 0.00 3.38 -0.52 -0.05 115.31 118.69 1x1t h LEU 171 Ca 0.17 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1x1t h LEU 171 Cb 0.16 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1x1t h LEU 171 CO -0.02 0.67 0.00 -0.33 0.09 0.00 0.00 178.44 178.85 1x1t h GLU 172 N 0.40 0.00 -0.04 1.13 5.08 -0.97 -3.23 114.58 116.96 1x1t h GLU 172 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1x1t h GLU 172 Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1x1t h GLU 172 CO 0.04 0.00 0.00 0.25 -1.00 0.00 0.00 179.01 178.30 1x1t n THR 173 N -2.90 0.13 -1.68 1.13 -2.24 -0.94 -5.03 114.28 102.75 1x1t n THR 173 Ca 0.03 -0.56 -0.55 0.00 -2.27 0.00 0.00 64.05 60.70 1x1t n THR 173 Cb 0.41 1.09 -0.07 0.00 -2.10 0.00 0.00 70.33 69.67 1x1t n THR 173 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x1t n ALA 174 N 0.46 -0.22 -0.52 6.98 0.00 -0.06 -1.20 120.51 125.94 1x1t n ALA 174 Ca 0.05 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.90 1x1t n ALA 174 Cb 0.24 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.46 1x1t n ALA 174 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x1t n GLY 175 N 3.78 1.34 1.23 0.00 0.00 -1.26 -4.91 105.19 105.38 1x1t n GLY 175 Ca 0.24 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.32 1x1t n GLY 175 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1x1t n GLN 176 N -2.00 3.02 -0.94 1.61 6.02 -0.34 -4.87 117.38 119.87 1x1t n GLN 176 Ca 0.00 -2.03 0.00 0.00 -0.01 0.00 0.00 57.00 54.96 1x1t n GLN 176 Cb 0.00 -1.75 0.00 0.00 1.02 0.00 0.00 30.24 29.51 1x1t n GLN 176 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1x1t n GLY 177 N 0.83 0.49 3.25 1.08 0.00 -1.26 -4.25 105.19 105.34 1x1t n GLY 177 Ca 0.18 -0.38 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 1x1t n GLY 177 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x1t s ILE 178 N -2.00 1.84 0.12 -0.61 1.01 -1.26 -1.57 121.20 118.73 1x1t s ILE 178 Ca 0.00 -0.99 0.06 0.00 0.00 0.00 0.00 60.65 59.73 1x1t s ILE 178 Cb 0.00 -1.54 -0.04 0.00 0.01 0.00 0.00 42.46 40.90 1x1t s ILE 178 CO 0.00 0.52 -0.15 0.42 0.00 0.00 0.00 174.94 175.73 1x1t s THR 179 N -0.44 1.38 -0.04 2.92 -4.23 -0.73 -4.61 115.64 109.89 1x1t s THR 179 Ca 0.06 -1.71 -0.02 0.00 -1.18 0.00 0.00 61.69 58.85 1x1t s THR 179 Cb -0.10 -1.54 0.03 0.00 1.34 0.00 0.00 72.50 72.23 1x1t s THR 179 CO 0.00 -0.38 0.05 0.00 -0.54 0.00 0.00 174.62 173.74 1x1t s ALA 180 N -2.05 0.26 0.08 3.99 0.00 -1.26 -0.98 121.76 121.79 1x1t s ALA 180 Ca 0.09 0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.23 1x1t s ALA 180 Cb -0.05 -0.56 -0.04 0.00 0.00 0.00 0.00 23.12 22.46 1x1t s ALA 180 CO 0.03 -0.41 -0.03 -0.80 0.00 0.00 0.00 175.76 174.55 1x1t s ASN 181 N 1.93 0.73 -0.19 0.00 0.01 -0.57 0.44 114.94 117.28 1x1t s ASN 181 Ca 0.02 -1.02 0.01 0.00 -0.71 0.00 0.00 52.86 51.16 1x1t s ASN 181 Cb -0.12 0.17 0.03 0.00 0.41 0.00 0.00 41.25 41.73 1x1t s ASN 181 CO -0.03 -0.56 -0.17 0.00 -1.51 0.00 0.00 177.10 174.82 1x1t s ALA 182 N -3.82 2.32 -0.01 0.60 0.00 -0.25 -0.83 121.76 119.78 1x1t s ALA 182 Ca 0.11 -1.30 -0.28 0.00 0.00 0.00 0.00 51.96 50.48 1x1t s ALA 182 Cb 0.07 -1.25 -0.03 0.00 0.00 0.00 0.00 23.12 21.90 1x1t s ALA 182 CO -0.07 -0.54 0.90 0.42 0.00 0.00 0.00 175.76 176.47 1x1t s ILE 183 N 1.27 4.88 -0.58 0.00 1.01 0.36 -1.15 121.20 127.00 1x1t s ILE 183 Ca 0.02 1.88 0.02 0.00 0.00 0.00 0.00 60.65 62.57 1x1t s ILE 183 Cb -0.15 -4.24 0.15 0.00 0.01 0.00 0.00 42.46 38.23 1x1t s ILE 183 CO -0.11 0.20 0.35 0.00 0.00 0.00 0.00 174.94 175.38 1x1t s PRO 185 N -0.33 3.65 0.00 0.00 0.02 -1.26 -1.87 135.00 135.22 1x1t s PRO 185 Ca 0.18 1.12 0.00 0.00 0.02 0.00 0.00 61.00 62.32 1x1t s PRO 185 Cb -0.22 -2.09 0.00 0.00 0.02 0.00 0.00 34.50 32.21 1x1t s PRO 185 CO -0.02 -0.53 0.00 0.41 -0.33 0.00 0.00 177.00 176.53 1x1t n GLY 186 N -1.12 1.54 3.74 0.52 0.00 -0.15 -1.44 105.19 108.28 1x1t n GLY 186 Ca 0.08 -1.83 -0.42 0.00 0.00 0.00 0.00 46.02 43.85 1x1t n GLY 186 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1x1t s TRP 187 N 2.03 2.90 -0.05 1.61 0.23 -1.26 -4.87 118.94 119.52 1x1t s TRP 187 Ca 0.00 0.71 0.02 0.00 -2.03 0.00 0.00 56.10 54.80 1x1t s TRP 187 Cb 0.00 -4.01 0.01 0.00 0.03 0.00 0.00 33.47 29.50 1x1t s TRP 187 CO 0.00 -3.53 -0.12 0.08 0.96 0.00 0.00 176.95 174.34 1x1t s VAL 188 N 0.46 1.05 -0.87 4.03 1.01 -1.26 -0.96 120.40 123.85 1x1t s VAL 188 Ca 0.66 -0.45 -0.18 0.00 0.00 0.00 0.00 61.98 62.01 1x1t s VAL 188 Cb -0.46 -0.95 -0.12 0.00 0.00 0.00 0.00 36.38 34.85 1x1t s VAL 188 CO 0.41 0.33 2.01 -1.14 0.00 0.00 0.00 175.10 176.70 1x1t n ARG 189 N 3.66 1.78 0.00 2.72 3.00 -1.26 -4.99 116.66 121.57 1x1t n ARG 189 Ca -0.22 -1.83 0.06 0.00 -0.00 0.00 0.00 57.85 55.86 1x1t n ARG 189 Cb 0.52 -2.85 -0.01 0.00 0.00 0.00 0.00 32.46 30.13 1x1t n ARG 189 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 1x1t n THR 190 N 5.50 0.00 0.00 5.15 -2.24 -1.26 -5.09 114.28 116.34 1x1t n THR 190 Ca 0.49 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.92 1x1t n THR 190 Cb 0.34 1.14 0.00 0.00 -2.10 0.00 0.00 70.33 69.71 1x1t n THR 190 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1x1t n LEU 215 N -0.27 0.00 -0.04 3.22 7.94 -1.26 -5.15 117.00 121.44 1x1t n LEU 215 Ca 0.05 0.00 -0.11 0.00 -1.11 0.00 0.00 56.01 54.84 1x1t n LEU 215 Cb 0.27 0.00 0.02 0.00 0.53 0.00 0.00 43.42 44.24 1x1t n LEU 215 CO 0.17 0.00 0.50 -0.07 -1.11 0.00 0.00 177.39 176.88 1x1t h LEU 216 N 0.00 0.78 -1.28 -1.96 3.38 -1.97 -3.28 115.31 110.98 1x1t h LEU 216 Ca 0.00 -0.40 0.16 0.00 0.09 0.00 0.00 57.88 57.74 1x1t h LEU 216 Cb 0.00 -0.22 -0.08 0.00 0.09 0.00 0.00 40.66 40.45 1x1t h LEU 216 CO 0.00 1.14 0.59 -1.28 0.09 0.00 0.00 178.44 178.98 1x1t h SER 217 N 0.56 0.63 0.02 -0.43 0.87 -1.96 0.49 113.55 113.74 1x1t h SER 217 Ca 0.03 0.05 -0.12 0.00 -1.23 0.00 0.00 61.79 60.51 1x1t h SER 217 Cb 1.06 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.94 1x1t h SER 217 CO 0.10 0.29 -0.38 -0.08 -0.53 0.00 0.00 176.83 176.23 1x1t h GLU 218 N 0.65 0.47 0.00 2.24 4.81 -2.03 -3.40 114.58 117.33 1x1t h GLU 218 Ca 0.47 -0.23 0.00 0.00 -0.13 0.00 0.00 59.36 59.48 1x1t h GLU 218 Cb 0.84 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.22 1x1t h GLU 218 CO -0.23 0.78 -0.97 1.63 -0.73 0.00 0.00 179.01 179.49 1x1t n LYS 219 N -4.04 2.97 -3.78 1.92 4.76 -0.89 -4.99 118.16 114.11 1x1t n LYS 219 Ca -0.01 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 55.07 1x1t n LYS 219 Cb 0.49 -0.99 -0.11 0.00 -1.84 0.00 0.00 35.03 32.58 1x1t n LYS 219 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 1x1t s GLN 220 N -1.97 2.23 0.35 1.97 0.74 0.17 -3.97 119.66 119.18 1x1t s GLN 220 Ca 0.00 -2.23 0.16 0.00 0.05 0.00 0.00 55.36 53.34 1x1t s GLN 220 Cb 0.00 -3.60 1.16 0.00 1.10 0.00 0.00 33.01 31.66 1x1t s GLN 220 CO 0.00 -1.12 1.64 -1.35 -0.55 0.00 0.00 175.29 173.92 1x1t h PRO 221 N 7.40 0.24 0.00 1.67 0.11 -1.76 0.36 132.00 140.02 1x1t h PRO 221 Ca -0.07 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.02 1x1t h PRO 221 Cb 0.99 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.04 1x1t h PRO 221 CO 0.69 0.16 -0.04 0.66 -0.21 0.00 0.00 178.00 179.27 1x1t h SER 222 N 0.25 0.00 -2.65 -2.05 4.64 -1.63 -3.46 113.55 108.65 1x1t h SER 222 Ca 0.76 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 61.67 1x1t h SER 222 Cb 1.82 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.87 1x1t h SER 222 CO -0.64 0.04 -0.51 0.18 -0.87 0.00 0.00 176.83 175.03 1x1t n LEU 223 N -3.21 -1.88 -4.01 5.97 4.77 0.12 -4.98 117.00 113.78 1x1t n LEU 223 Ca -0.01 0.06 -0.19 0.00 -0.03 0.00 0.00 56.01 55.84 1x1t n LEU 223 Cb 0.23 -2.90 -0.15 0.00 -2.33 0.00 0.00 43.42 38.27 1x1t n LEU 223 CO 0.26 -0.35 -0.43 -1.10 -1.33 0.00 0.00 177.39 174.44 1x1t s GLN 224 N -4.84 0.81 0.53 3.23 -0.21 -1.26 -5.03 119.66 112.89 1x1t s GLN 224 Ca 0.00 -0.31 -0.18 0.00 0.02 0.00 0.00 55.36 54.89 1x1t s GLN 224 Cb 0.00 -0.78 -0.07 0.00 1.00 0.00 0.00 33.01 33.17 1x1t s GLN 224 CO 0.00 0.16 1.03 -0.06 -2.12 0.00 0.00 175.29 174.30 1x1t s PHE 225 N -0.04 3.10 0.24 0.91 0.40 -1.26 -4.87 117.98 116.46 1x1t s PHE 225 Ca 0.01 1.54 -0.17 0.00 -0.60 0.00 0.00 56.93 57.71 1x1t s PHE 225 Cb -0.06 -2.98 -0.08 0.00 0.51 0.00 0.00 43.02 40.42 1x1t s PHE 225 CO -0.00 -0.79 0.69 0.08 0.70 0.00 0.00 175.22 175.90 1x1t s VAL 226 N -2.29 4.67 0.22 -0.44 1.01 -0.14 -5.00 120.40 118.43 1x1t s VAL 226 Ca 0.64 1.05 0.08 0.00 0.00 0.00 0.00 61.98 63.75 1x1t s VAL 226 Cb -0.14 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 1x1t s VAL 226 CO 0.28 0.07 0.00 0.42 0.00 0.00 0.00 175.10 175.87 1x1t s THR 227 N -1.68 3.60 0.46 3.92 -4.23 -1.26 -4.07 115.64 112.38 1x1t s THR 227 Ca 0.46 -1.66 0.12 0.00 -1.18 0.00 0.00 61.69 59.43 1x1t s THR 227 Cb -0.14 -2.87 0.23 0.00 1.34 0.00 0.00 72.50 71.07 1x1t s THR 227 CO 0.20 -0.25 2.06 -0.65 -0.54 0.00 0.00 174.62 175.44 1x1t h PRO 228 N 2.27 0.18 -0.52 3.99 0.11 -1.92 -1.94 132.00 134.17 1x1t h PRO 228 Ca -0.46 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.54 1x1t h PRO 228 Cb 1.23 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 1x1t h PRO 228 CO 0.59 0.19 -0.03 0.93 -0.21 0.00 0.00 178.00 179.47 1x1t h GLU 229 N 0.18 0.94 -0.54 1.05 3.07 -1.94 0.10 114.58 117.46 1x1t h GLU 229 Ca 0.05 -0.32 -0.06 0.00 -0.50 0.00 0.00 59.36 58.53 1x1t h GLU 229 Cb 0.11 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 27.92 1x1t h GLU 229 CO -0.00 0.98 0.09 1.96 -1.40 0.00 0.00 179.01 180.63 1x1t h GLN 230 N 0.81 0.89 -0.19 2.33 4.20 -1.80 -0.51 115.11 120.84 1x1t h GLN 230 Ca 0.14 -0.24 -0.09 0.00 0.06 0.00 0.00 58.65 58.53 1x1t h GLN 230 Cb 0.57 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 1x1t h GLN 230 CO 0.03 0.86 -0.27 -0.07 -0.67 0.00 0.00 178.83 178.71 1x1t h LEU 231 N 0.78 0.37 -0.59 1.46 3.38 -1.18 -0.64 115.31 118.90 1x1t h LEU 231 Ca 0.16 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 1x1t h LEU 231 Cb 0.40 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1x1t h LEU 231 CO 0.01 0.64 0.03 1.23 0.09 0.00 0.00 178.44 180.44 1x1t h GLY 232 N 1.03 1.09 1.71 0.83 0.00 -0.35 -0.60 103.07 106.77 1x1t h GLY 232 Ca 0.05 -0.78 -0.08 0.00 0.00 0.00 0.00 47.33 46.52 1x1t h GLY 232 CO 0.05 0.72 -0.21 -1.33 0.00 0.00 0.00 176.54 175.77 1x1t h GLY 233 N 0.91 0.38 1.11 4.60 0.00 -0.58 -0.39 103.07 109.09 1x1t h GLY 233 Ca 0.17 -0.28 -0.15 0.00 0.00 0.00 0.00 47.33 47.07 1x1t h GLY 233 CO 0.02 0.26 -0.32 -0.84 0.00 0.00 0.00 176.54 175.66 1x1t h THR 234 N 0.32 1.27 -0.58 4.70 2.02 -0.69 -1.46 112.91 118.48 1x1t h THR 234 Ca 0.05 -1.49 -0.09 0.00 0.77 0.00 0.00 66.41 65.66 1x1t h THR 234 Cb 0.56 1.30 -0.02 0.00 -1.74 0.00 0.00 68.15 68.24 1x1t h THR 234 CO 0.04 0.50 0.03 0.00 0.37 0.00 0.00 175.52 176.46 1x1t h ALA 235 N 0.80 0.78 -0.78 6.16 0.00 -0.73 -1.64 119.26 123.85 1x1t h ALA 235 Ca 0.08 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.71 1x1t h ALA 235 Cb 0.91 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 1x1t h ALA 235 CO 0.08 0.59 0.51 0.28 0.00 0.00 0.00 179.25 180.72 1x1t h VAL 236 N 0.90 1.19 -0.25 0.00 2.07 -0.92 -0.86 116.25 118.38 1x1t h VAL 236 Ca 0.17 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 1x1t h VAL 236 Cb 0.51 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 1x1t h VAL 236 CO 0.02 0.19 0.10 0.15 0.02 0.00 0.00 177.57 178.05 1x1t h PHE 237 N 1.04 0.39 0.00 1.57 3.57 -0.95 -2.24 116.94 120.31 1x1t h PHE 237 Ca 0.29 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.73 1x1t h PHE 237 Cb -0.11 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 38.51 1x1t h PHE 237 CO -0.02 0.41 -0.11 -0.07 -2.23 0.00 0.00 178.31 176.30 1x1t h LEU 238 N 0.25 0.00 -0.00 0.59 3.38 -0.92 -1.54 115.31 117.07 1x1t h LEU 238 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1x1t h LEU 238 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1x1t h LEU 238 CO -0.01 0.11 0.00 0.00 0.09 0.00 0.00 178.44 178.63 1x1t h ALA 239 N 1.89 1.00 -2.39 1.53 0.00 -0.69 -3.44 119.26 117.16 1x1t h ALA 239 Ca -0.00 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.42 1x1t h ALA 239 Cb 0.23 0.00 0.12 0.00 0.00 0.00 0.00 17.79 18.14 1x1t h ALA 239 CO 0.01 0.00 0.32 -1.54 0.00 0.00 0.00 179.25 178.05 1x1t s SER 240 N -4.67 4.37 0.45 0.00 1.04 -0.58 -4.96 113.70 109.36 1x1t s SER 240 Ca 0.10 1.37 0.25 0.00 0.48 0.00 0.00 55.95 58.15 1x1t s SER 240 Cb 0.12 -2.10 1.01 0.00 0.10 0.00 0.00 66.02 65.15 1x1t s SER 240 CO 0.60 -2.05 1.87 0.44 0.98 0.00 0.00 173.24 175.07 1x1t h ASP 241 N -1.15 0.00 0.31 7.02 3.32 -1.90 -2.54 116.42 121.49 1x1t h ASP 241 Ca -0.47 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.57 1x1t h ASP 241 Cb 1.27 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.81 1x1t h ASP 241 CO 0.58 0.21 -0.05 0.00 -1.72 0.00 0.00 179.24 178.25 1x1t h ALA 242 N 1.79 1.20 -0.57 3.45 0.00 -1.93 -1.50 119.26 121.71 1x1t h ALA 242 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1x1t h ALA 242 Cb 0.68 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1x1t h ALA 242 CO 0.03 0.07 0.00 0.00 0.00 0.00 0.00 179.25 179.34 1x1t n ALA 243 N -2.21 3.84 0.14 0.00 0.00 -0.96 -4.57 120.51 116.76 1x1t n ALA 243 Ca -0.02 -1.86 0.13 0.00 0.00 0.00 0.00 53.44 51.69 1x1t n ALA 243 Cb 0.18 -1.12 0.65 0.00 0.00 0.00 0.00 19.45 19.16 1x1t n ALA 243 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x1t h ALA 244 N 3.98 2.21 -0.39 0.00 0.00 -1.38 -1.73 119.26 121.95 1x1t h ALA 244 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1x1t h ALA 244 Cb 1.94 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.74 1x1t h ALA 244 CO 0.48 -0.28 0.00 1.04 0.00 0.00 0.00 179.25 180.49 1x1t n GLN 245 N -4.47 3.29 -3.39 0.00 1.13 -1.26 -4.82 117.38 107.86 1x1t n GLN 245 Ca 0.03 -2.70 -0.44 0.00 -1.94 0.00 0.00 57.00 51.95 1x1t n GLN 245 Cb 0.32 -1.76 -0.08 0.00 0.11 0.00 0.00 30.24 28.82 1x1t n GLN 245 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1x1t s ILE 246 N -2.18 5.21 -0.11 5.09 1.01 -0.65 -5.03 121.20 124.53 1x1t s ILE 246 Ca 0.41 -0.84 -0.17 0.00 0.00 0.00 0.00 60.65 60.05 1x1t s ILE 246 Cb 0.29 -4.07 0.04 0.00 0.01 0.00 0.00 42.46 38.73 1x1t s ILE 246 CO 0.14 -0.50 0.43 0.28 0.00 0.00 0.00 174.94 175.30 1x1t s THR 247 N 1.76 0.02 -0.78 2.92 -1.32 -1.26 -4.60 115.64 112.37 1x1t s THR 247 Ca 0.06 -0.14 0.00 0.00 -1.21 0.00 0.00 61.69 60.40 1x1t s THR 247 Cb -0.22 -0.67 0.00 0.00 -1.51 0.00 0.00 72.50 70.11 1x1t s THR 247 CO 0.09 -0.08 0.00 0.61 -2.21 0.00 0.00 174.62 173.03 1x1t n GLY 248 N 2.17 0.27 3.50 6.08 0.00 0.17 -4.94 105.19 112.45 1x1t n GLY 248 Ca -0.16 -0.56 -0.24 0.00 0.00 0.00 0.00 46.02 45.06 1x1t n GLY 248 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1x1t s THR 249 N -2.40 0.80 0.01 2.61 -1.32 -1.25 -4.64 115.64 109.45 1x1t s THR 249 Ca 0.00 -2.00 0.05 0.00 -1.21 0.00 0.00 61.69 58.53 1x1t s THR 249 Cb 0.00 -2.48 -0.03 0.00 -1.51 0.00 0.00 72.50 68.48 1x1t s THR 249 CO 0.00 0.00 -0.13 0.42 -2.21 0.00 0.00 174.62 172.70 1x1t s THR 250 N -3.24 3.20 -0.30 5.08 -4.23 -1.26 -1.09 115.64 113.80 1x1t s THR 250 Ca 0.27 -0.95 0.03 0.00 -1.18 0.00 0.00 61.69 59.86 1x1t s THR 250 Cb 0.04 -2.36 0.08 0.00 1.34 0.00 0.00 72.50 71.61 1x1t s THR 250 CO 0.14 0.39 0.00 -0.69 -0.54 0.00 0.00 174.62 173.92 1x1t s VAL 251 N -0.94 2.03 -0.09 2.29 1.01 -0.30 -4.95 120.40 119.45 1x1t s VAL 251 Ca 0.15 -1.94 -0.28 0.00 0.00 0.00 0.00 61.98 59.91 1x1t s VAL 251 Cb -0.11 -2.38 -0.02 0.00 0.00 0.00 0.00 36.38 33.87 1x1t s VAL 251 CO 0.06 -0.40 0.94 -0.44 0.00 0.00 0.00 175.10 175.26 1x1t s SER 252 N 1.08 7.19 -0.61 3.32 0.01 -1.26 -0.70 113.70 122.73 1x1t s SER 252 Ca 0.04 1.46 0.05 0.00 1.31 0.00 0.00 55.95 58.80 1x1t s SER 252 Cb -0.19 -2.53 0.17 0.00 0.21 0.00 0.00 66.02 63.68 1x1t s SER 252 CO -0.09 -0.38 0.43 -0.69 0.41 0.00 0.00 173.24 172.93 1x1t s VAL 253 N 1.75 2.10 -0.02 3.43 1.01 -0.78 -4.91 120.40 122.98 1x1t s VAL 253 Ca 0.46 -3.73 0.02 0.00 0.00 0.00 0.00 61.98 58.74 1x1t s VAL 253 Cb -0.18 -2.40 0.03 0.00 0.00 0.00 0.00 36.38 33.83 1x1t s VAL 253 CO 0.19 -1.06 0.97 -0.90 0.00 0.00 0.00 175.10 174.29 1x1t n ASP 254 N 2.31 0.31 -1.97 3.32 5.68 -1.26 -0.98 116.55 123.96 1x1t n ASP 254 Ca 0.22 -2.02 -0.16 0.00 -0.50 0.00 0.00 54.79 52.32 1x1t n ASP 254 Cb 0.39 -0.20 -0.04 0.00 -1.14 0.00 0.00 41.12 40.12 1x1t n ASP 254 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1x1t n GLY 255 N -0.18 0.47 0.00 6.12 0.00 -1.26 -1.86 105.19 108.49 1x1t n GLY 255 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1x1t n GLY 255 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x1t n GLY 256 N -0.62 0.49 0.38 -0.02 0.00 -1.26 -1.57 105.19 102.59 1x1t n GLY 256 Ca -0.18 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.77 1x1t n GLY 256 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 1x1t h TRP 257 N 0.00 -1.17 -0.05 1.61 2.91 -1.50 -1.71 115.95 116.05 1x1t h TRP 257 Ca 0.00 0.08 0.00 0.00 1.13 0.00 0.00 58.89 60.10 1x1t h TRP 257 Cb 0.00 0.60 0.00 0.00 -0.51 0.00 0.00 29.16 29.25 1x1t h TRP 257 CO 0.00 -0.41 0.00 0.25 -1.03 0.00 0.00 178.44 177.25 1x1t n THR 258 N -5.42 0.06 0.19 2.65 -2.24 -1.26 -3.73 114.28 104.53 1x1t n THR 258 Ca 0.03 -0.17 0.11 0.00 -2.27 0.00 0.00 64.05 61.76 1x1t n THR 258 Cb 0.35 0.08 0.12 0.00 -2.10 0.00 0.00 70.33 68.78 1x1t n THR 258 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x1t h ALA 259 N 4.03 0.86 -0.00 6.98 0.00 -1.72 -3.52 119.26 125.88 1x1t h ALA 259 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1x1t h ALA 259 Cb 0.28 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1x1t h ALA 259 CO 0.00 0.04 0.00 2.89 0.00 0.00 0.00 179.25 182.18