#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m1x s LYS 3 N 0.00 3.64 -0.16 1.43 1.02 -1.26 -4.90 119.74 119.50 3m1x s LYS 3 Ca 0.00 2.02 -0.10 0.00 0.02 0.00 0.00 55.97 57.91 3m1x s LYS 3 Cb 0.00 -2.46 -0.05 0.00 -0.52 0.00 0.00 37.83 34.80 3m1x s LYS 3 CO 0.00 -0.72 0.17 -0.51 -0.92 0.00 0.00 175.35 173.37 3m1x s LEU 4 N -3.00 4.29 -0.10 3.17 1.02 -1.26 -4.39 118.68 118.41 3m1x s LEU 4 Ca 0.64 0.38 0.04 0.00 0.02 0.00 0.00 54.13 55.21 3m1x s LEU 4 Cb -0.35 -2.15 -0.00 0.00 0.02 0.00 0.00 46.19 43.72 3m1x s LEU 4 CO 0.43 0.25 -0.24 -0.89 0.02 0.00 0.00 176.35 175.92 3m1x s THR 5 N -0.16 2.06 0.09 5.49 2.01 -0.57 -4.96 115.64 119.60 3m1x s THR 5 Ca 0.12 -1.02 -0.30 0.00 0.31 0.00 0.00 61.69 60.80 3m1x s THR 5 Cb -0.12 -1.78 -0.05 0.00 0.01 0.00 0.00 72.50 70.56 3m1x s THR 5 CO 0.02 0.56 1.02 -0.69 -0.69 0.00 0.00 174.62 174.84 3m1x s VAL 6 N 0.33 4.40 -0.21 3.82 1.01 -1.26 -0.93 120.40 127.57 3m1x s VAL 6 Ca -0.19 1.90 -0.08 0.00 0.00 0.00 0.00 61.98 63.61 3m1x s VAL 6 Cb -0.18 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 31.94 3m1x s VAL 6 CO 0.09 0.24 0.09 -0.69 0.00 0.00 0.00 175.10 174.84 3m1x s VAL 7 N 0.33 4.92 -0.34 2.92 1.01 -0.52 -4.96 120.40 123.75 3m1x s VAL 7 Ca 0.50 0.02 -0.00 0.00 0.00 0.00 0.00 61.98 62.50 3m1x s VAL 7 Cb -0.25 -3.25 0.14 0.00 0.00 0.00 0.00 36.38 33.02 3m1x s VAL 7 CO 0.30 0.42 0.21 0.00 0.00 0.00 0.00 175.10 176.03 3m1x s ALA 8 N 0.69 0.77 0.27 5.51 0.00 -1.26 -3.53 121.76 124.20 3m1x s ALA 8 Ca 0.05 -1.68 -0.29 0.00 0.00 0.00 0.00 51.96 50.03 3m1x s ALA 8 Cb -0.13 -1.61 -0.09 0.00 0.00 0.00 0.00 23.12 21.29 3m1x s ALA 8 CO 0.02 -2.05 1.02 0.45 0.00 0.00 0.00 175.76 175.19 3m1x s SER 9 N 1.24 7.43 0.00 0.00 0.15 -1.26 -4.93 113.70 116.33 3m1x s SER 9 Ca 0.17 2.10 0.31 0.00 0.70 0.00 0.00 55.95 59.23 3m1x s SER 9 Cb -0.22 -2.62 1.63 0.00 -1.71 0.00 0.00 66.02 63.11 3m1x s SER 9 CO -0.04 -0.01 2.10 -0.81 1.20 0.00 0.00 173.24 175.68 3m1x n PRO 10 N 1.27 0.59 -0.08 5.44 -0.04 -1.26 -3.37 135.00 137.55 3m1x n PRO 10 Ca -0.01 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.35 3m1x n PRO 10 Cb 0.46 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.27 3m1x n PRO 10 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3m1x n LEU 11 N -1.21 0.44 -4.91 1.53 4.77 -1.26 -4.95 117.00 111.41 3m1x n LEU 11 Ca 0.17 0.12 -0.27 0.00 -0.03 0.00 0.00 56.01 56.00 3m1x n LEU 11 Cb 0.20 0.31 0.04 0.00 -2.33 0.00 0.00 43.42 41.64 3m1x n LEU 11 CO 0.22 0.49 0.58 0.00 -1.33 0.00 0.00 177.39 177.34 3m1x s ALA 12 N -2.52 3.22 0.45 -1.18 0.00 -1.22 -4.44 121.76 116.08 3m1x s ALA 12 Ca -0.10 -0.65 -0.24 0.00 0.00 0.00 0.00 51.96 50.98 3m1x s ALA 12 Cb 0.07 -2.68 -0.09 0.00 0.00 0.00 0.00 23.12 20.42 3m1x s ALA 12 CO 0.82 -0.89 1.15 -2.30 0.00 0.00 0.00 175.76 174.54 3m1x n PRO 13 N -2.67 1.58 -1.88 0.00 -0.02 -1.26 -4.69 135.00 126.06 3m1x n PRO 13 Ca 0.05 0.57 -0.40 0.00 -2.02 0.00 0.00 63.50 61.70 3m1x n PRO 13 Cb 0.58 -2.25 0.01 0.00 -0.02 0.00 0.00 33.50 31.81 3m1x n PRO 13 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 3m1x s GLU 14 N -2.26 3.90 -0.64 -0.52 -1.05 -1.26 -4.92 118.70 111.95 3m1x s GLU 14 Ca 0.64 2.39 -0.11 0.00 -0.15 0.00 0.00 54.97 57.74 3m1x s GLU 14 Cb -0.51 -2.78 0.16 0.00 -0.44 0.00 0.00 34.13 30.56 3m1x s GLU 14 CO 0.56 -0.63 0.54 0.00 0.95 0.00 0.00 175.26 176.67 3m1x s ALA 15 N -1.19 3.72 -0.73 -0.84 0.00 -1.26 -4.92 121.76 116.53 3m1x s ALA 15 Ca 0.57 -2.96 -0.04 0.00 0.00 0.00 0.00 51.96 49.53 3m1x s ALA 15 Cb -0.43 -3.10 0.19 0.00 0.00 0.00 0.00 23.12 19.77 3m1x s ALA 15 CO 0.56 -2.09 0.58 0.08 0.00 0.00 0.00 175.76 174.89 3m1x s VAL 16 N 0.69 4.12 -1.90 0.00 1.01 -1.26 -4.93 120.40 118.12 3m1x s VAL 16 Ca 0.12 -3.21 0.00 0.00 0.00 0.00 0.00 61.98 58.89 3m1x s VAL 16 Cb -0.20 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.56 3m1x s VAL 16 CO -0.04 -0.96 0.00 0.61 0.00 0.00 0.00 175.10 174.71 3m1x n GLY 17 N 3.16 0.11 0.96 4.51 0.00 -1.26 -4.89 105.19 107.77 3m1x n GLY 17 Ca 0.13 -1.04 0.02 0.00 0.00 0.00 0.00 46.02 45.13 3m1x n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m1x n ALA 18 N -0.56 2.96 -2.49 4.61 0.00 -1.26 -4.87 120.51 118.89 3m1x n ALA 18 Ca 0.00 -0.62 -0.09 0.00 0.00 0.00 0.00 53.44 52.73 3m1x n ALA 18 Cb 0.00 -1.04 -0.08 0.00 0.00 0.00 0.00 19.45 18.33 3m1x n ALA 18 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 3m1x s TYR 19 N -1.54 0.49 0.14 0.00 -0.85 -1.26 -5.16 117.35 109.17 3m1x s TYR 19 Ca 0.17 -0.88 0.06 0.00 -0.52 0.00 0.00 57.07 55.90 3m1x s TYR 19 Cb 0.13 -0.19 -0.04 0.00 0.38 0.00 0.00 41.96 42.24 3m1x s TYR 19 CO 0.05 -0.61 0.02 -1.12 -1.52 0.00 0.00 175.55 172.36 3m1x s SER 20 N -2.97 4.95 0.24 -0.18 0.01 -1.26 -4.67 113.70 109.82 3m1x s SER 20 Ca 0.16 -0.28 -0.05 0.00 1.31 0.00 0.00 55.95 57.09 3m1x s SER 20 Cb 0.05 -1.13 0.38 0.00 0.21 0.00 0.00 66.02 65.52 3m1x s SER 20 CO -0.02 0.12 1.80 1.56 0.41 0.00 0.00 173.24 177.10 3m1x h GLN 21 N 2.95 0.70 -3.04 12.44 4.20 -1.93 -3.41 115.11 127.02 3m1x h GLN 21 Ca -0.47 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.18 3m1x h GLN 21 Cb 1.19 -0.16 -0.12 0.00 0.30 0.00 0.00 27.48 28.69 3m1x h GLN 21 CO 0.59 0.46 0.18 0.00 -0.67 0.00 0.00 178.83 179.40 3m1x s ALA 22 N -6.04 -1.52 -0.07 3.87 0.00 -1.24 -1.08 121.76 115.68 3m1x s ALA 22 Ca -0.12 0.40 0.03 0.00 0.00 0.00 0.00 51.96 52.26 3m1x s ALA 22 Cb 0.19 0.87 0.00 0.00 0.00 0.00 0.00 23.12 24.18 3m1x s ALA 22 CO 0.77 -0.77 -0.17 0.42 0.00 0.00 0.00 175.76 176.01 3m1x s ILE 23 N -3.76 1.47 -0.10 0.00 -1.09 -0.51 -1.44 121.20 115.76 3m1x s ILE 23 Ca 0.02 -0.69 -0.17 0.00 -2.23 0.00 0.00 60.65 57.58 3m1x s ILE 23 Cb -0.01 -1.29 -0.05 0.00 -1.58 0.00 0.00 42.46 39.53 3m1x s ILE 23 CO -0.12 0.43 0.42 -0.63 -1.23 0.00 0.00 174.94 173.81 3m1x s ILE 24 N 0.39 5.18 -0.23 2.92 1.01 -0.10 -0.91 121.20 129.46 3m1x s ILE 24 Ca -0.13 0.84 -0.12 0.00 0.00 0.00 0.00 60.65 61.25 3m1x s ILE 24 Cb -0.15 -3.76 0.08 0.00 0.01 0.00 0.00 42.46 38.64 3m1x s ILE 24 CO 0.05 0.39 0.55 0.00 0.00 0.00 0.00 174.94 175.93 3m1x n ASN 26 N 4.45 -1.63 -0.59 0.00 3.02 -1.26 -4.67 115.26 114.57 3m1x n ASN 26 Ca -0.20 -0.91 0.00 0.00 -0.03 0.00 0.00 54.58 53.44 3m1x n ASN 26 Cb 0.56 -3.49 0.00 0.00 -0.61 0.00 0.00 39.78 36.24 3m1x n ASN 26 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3m1x n GLY 27 N -1.74 0.86 3.60 7.41 0.00 -1.26 -5.06 105.19 109.00 3m1x n GLY 27 Ca -0.21 -0.64 -0.01 0.00 0.00 0.00 0.00 46.02 45.16 3m1x n GLY 27 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3m1x s VAL 29 N -2.99 -0.97 -0.39 1.61 1.01 0.58 -1.63 120.40 117.62 3m1x s VAL 29 Ca 0.00 0.01 -0.12 0.00 0.00 0.00 0.00 61.98 61.87 3m1x s VAL 29 Cb 0.00 -0.98 0.03 0.00 0.00 0.00 0.00 36.38 35.43 3m1x s VAL 29 CO 0.00 0.00 0.23 -0.31 0.00 0.00 0.00 175.10 175.02 3m1x s TYR 30 N 2.88 3.25 -0.15 5.22 2.02 -0.09 -1.11 117.35 129.37 3m1x s TYR 30 Ca -0.04 -0.93 -0.13 0.00 -0.37 0.00 0.00 57.07 55.60 3m1x s TYR 30 Cb -0.12 -2.50 -0.05 0.00 -0.40 0.00 0.00 41.96 38.89 3m1x s TYR 30 CO -0.19 -0.65 0.27 0.00 -1.57 0.00 0.00 175.55 173.41 3m1x n SER 32 N 3.27 -0.93 -4.58 0.00 7.64 -0.25 -3.37 113.62 115.40 3m1x n SER 32 Ca -0.13 0.38 -0.42 0.00 1.01 0.00 0.00 58.87 59.71 3m1x n SER 32 Cb 0.52 -1.34 -0.03 0.00 -1.01 0.00 0.00 64.21 62.36 3m1x n SER 32 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3m1x s GLY 33 N -2.30 0.72 0.18 0.23 0.00 -1.26 -4.39 107.32 100.50 3m1x s GLY 33 Ca 0.62 -0.19 -0.30 0.00 0.00 0.00 0.00 44.72 44.85 3m1x s GLY 33 CO 0.63 3.13 1.14 1.20 0.00 0.00 0.00 173.10 179.20 3m1x s GLN 34 N 5.83 4.55 0.41 2.90 -1.52 0.15 -4.70 119.66 127.29 3m1x s GLN 34 Ca 0.69 1.78 0.08 0.00 -1.95 0.00 0.00 55.36 55.95 3m1x s GLN 34 Cb -0.16 -3.26 -0.04 0.00 -0.22 0.00 0.00 33.01 29.33 3m1x s GLN 34 CO 0.29 0.01 0.27 0.96 -0.25 0.00 0.00 175.29 176.57 3m1x s ILE 35 N -0.18 2.52 -0.20 1.08 -4.36 -1.26 -1.41 121.20 117.39 3m1x s ILE 35 Ca 0.51 -1.53 -0.01 0.00 -0.26 0.00 0.00 60.65 59.35 3m1x s ILE 35 Cb -0.31 -3.00 0.09 0.00 1.25 0.00 0.00 42.46 40.49 3m1x s ILE 35 CO 0.36 -0.01 2.24 0.61 0.24 0.00 0.00 174.94 178.37 3m1x n GLY 36 N -1.38 3.52 3.77 6.27 0.00 -1.26 -4.56 105.19 111.55 3m1x n GLY 36 Ca 0.01 -0.84 -0.38 0.00 0.00 0.00 0.00 46.02 44.81 3m1x n GLY 36 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3m1x s LEU 37 N -1.11 4.33 -0.30 0.99 1.43 -1.26 -1.06 118.68 121.69 3m1x s LEU 37 Ca 0.27 2.01 -0.13 0.00 -1.03 0.00 0.00 54.13 55.25 3m1x s LEU 37 Cb 0.19 -3.98 -0.03 0.00 0.03 0.00 0.00 46.19 42.40 3m1x s LEU 37 CO -0.03 -0.23 0.27 -0.62 0.23 0.00 0.00 176.35 175.97 3m1x s ASP 38 N -1.42 6.10 0.42 2.29 -1.08 -0.30 -4.65 116.67 118.03 3m1x s ASP 38 Ca 0.51 -0.09 0.18 0.00 -0.52 0.00 0.00 52.55 52.64 3m1x s ASP 38 Cb -0.23 -2.16 1.11 0.00 -1.46 0.00 0.00 42.92 40.18 3m1x s ASP 38 CO 0.29 -0.17 1.84 -0.09 0.52 0.00 0.00 175.17 177.56 3m1x h ARG 39 N 8.38 0.38 -0.16 4.34 9.65 -1.84 0.11 114.38 135.24 3m1x h ARG 39 Ca -0.32 -0.02 -0.03 0.00 -1.10 0.00 0.00 59.98 58.50 3m1x h ARG 39 Cb 1.17 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 29.65 3m1x h ARG 39 CO 0.61 0.25 -0.05 0.87 2.80 0.00 0.00 179.97 184.45 3m1x h LYS 40 N 0.39 0.23 0.00 0.20 1.57 -1.93 -3.27 116.57 113.76 3m1x h LYS 40 Ca 0.49 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.23 3m1x h LYS 40 Cb 1.25 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.52 3m1x h LYS 40 CO -0.18 0.30 -1.43 0.25 -0.57 0.00 0.00 179.45 177.82 3m1x n THR 41 N -4.35 0.00 -1.30 -0.16 -2.24 -0.35 -5.00 114.28 100.88 3m1x n THR 41 Ca -0.01 -0.25 -0.10 0.00 -2.27 0.00 0.00 64.05 61.42 3m1x n THR 41 Cb 0.20 0.30 -0.04 0.00 -2.10 0.00 0.00 70.33 68.69 3m1x n THR 41 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3m1x n GLY 42 N 1.85 1.02 3.50 3.38 0.00 0.24 -5.00 105.19 110.17 3m1x n GLY 42 Ca -0.02 -0.07 -0.24 0.00 0.00 0.00 0.00 46.02 45.69 3m1x n GLY 42 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3m1x s ASP 43 N -2.44 3.36 0.48 1.61 1.01 -1.25 -4.88 116.67 114.56 3m1x s ASP 43 Ca 0.00 -1.20 -0.23 0.00 0.71 0.00 0.00 52.55 51.83 3m1x s ASP 43 Cb 0.00 -0.28 -0.08 0.00 1.01 0.00 0.00 42.92 43.57 3m1x s ASP 43 CO 0.00 -0.26 1.21 0.49 0.21 0.00 0.00 175.17 176.83 3m1x n PHE 44 N -0.71 1.86 0.26 4.23 3.72 -1.26 -1.15 117.46 124.40 3m1x n PHE 44 Ca -0.05 0.48 0.09 0.00 -0.05 0.00 0.00 57.45 57.92 3m1x n PHE 44 Cb 0.63 -2.32 0.67 0.00 -0.94 0.00 0.00 39.48 37.53 3m1x n PHE 44 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3m1x h ALA 45 N 1.62 1.69 -2.02 4.37 0.00 -1.41 -3.45 119.26 120.07 3m1x h ALA 45 Ca -0.48 -0.07 0.30 0.00 0.00 0.00 0.00 54.91 54.66 3m1x h ALA 45 Cb 1.31 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 19.01 3m1x h ALA 45 CO 0.57 0.09 0.80 0.20 0.00 0.00 0.00 179.25 180.92 3m1x s GLY 46 N -4.13 -0.17 0.08 0.00 0.00 -1.26 -4.97 107.32 96.87 3m1x s GLY 46 Ca -0.04 0.16 0.26 0.00 0.00 0.00 0.00 44.72 45.09 3m1x s GLY 46 CO 0.64 3.16 1.60 0.28 0.00 0.00 0.00 173.10 178.77 3m1x n LYS 47 N -0.73 0.14 -3.47 2.90 4.76 -1.26 -4.50 118.16 116.01 3m1x n LYS 47 Ca -0.02 0.07 -0.23 0.00 -2.87 0.00 0.00 58.31 55.27 3m1x n LYS 47 Cb 0.60 -1.62 -0.01 0.00 -1.84 0.00 0.00 35.03 32.16 3m1x n LYS 47 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3m1x s THR 48 N -3.07 4.95 0.30 -0.18 -4.23 -1.26 -4.97 115.64 107.17 3m1x s THR 48 Ca 0.10 -0.62 -0.02 0.00 -1.18 0.00 0.00 61.69 59.98 3m1x s THR 48 Cb 0.16 -3.79 0.24 0.00 1.34 0.00 0.00 72.50 70.45 3m1x s THR 48 CO 0.64 -0.46 1.95 -0.29 -0.54 0.00 0.00 174.62 175.92 3m1x h ILE 49 N 0.81 1.21 -0.07 2.99 6.09 -1.97 -0.91 117.51 125.66 3m1x h ILE 49 Ca -0.50 -0.45 -0.01 0.00 -1.37 0.00 0.00 64.86 62.54 3m1x h ILE 49 Cb 1.23 0.14 -0.00 0.00 0.47 0.00 0.00 36.82 38.65 3m1x h ILE 49 CO 0.60 0.22 0.02 -0.33 -3.07 0.00 0.00 178.15 175.58 3m1x h GLU 50 N 1.04 0.11 -0.42 2.19 3.07 -1.95 0.48 114.58 119.09 3m1x h GLU 50 Ca 0.27 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 59.09 3m1x h GLU 50 Cb -0.05 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 27.82 3m1x h GLU 50 CO -0.05 0.30 0.20 0.93 -1.40 0.00 0.00 179.01 178.99 3m1x h GLU 51 N -0.11 0.61 -0.29 2.33 5.08 -1.84 -1.82 114.58 118.54 3m1x h GLU 51 Ca 0.02 -0.09 -0.17 0.00 -1.00 0.00 0.00 59.36 58.12 3m1x h GLU 51 Cb 0.24 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 3m1x h GLU 51 CO 0.00 0.53 -0.49 1.96 -1.00 0.00 0.00 179.01 180.01 3m1x h GLN 52 N 0.54 0.80 -0.63 2.33 4.20 -1.14 -2.43 115.11 118.78 3m1x h GLN 52 Ca 0.15 -0.47 -0.01 0.00 0.06 0.00 0.00 58.65 58.37 3m1x h GLN 52 Cb 0.12 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.91 3m1x h GLN 52 CO -0.02 1.10 0.35 0.77 -0.67 0.00 0.00 178.83 180.37 3m1x h SER 53 N 0.63 0.78 -0.67 1.46 0.02 -0.80 0.03 113.55 115.00 3m1x h SER 53 Ca 0.03 -0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 60.86 3m1x h SER 53 Cb 1.07 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 63.38 3m1x h SER 53 CO 0.11 0.65 0.30 0.11 -1.14 0.00 0.00 176.83 176.85 3m1x h LYS 54 N 0.86 0.99 -0.59 3.45 1.57 -1.30 -1.72 116.57 119.82 3m1x h LYS 54 Ca 0.22 -0.16 -0.05 0.00 -1.87 0.00 0.00 60.65 58.79 3m1x h LYS 54 Cb 0.03 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 3m1x h LYS 54 CO -0.04 0.80 0.18 0.37 -0.57 0.00 0.00 179.45 180.19 3m1x h GLN 55 N 0.94 0.93 -0.42 3.15 5.75 -1.12 -1.65 115.11 122.69 3m1x h GLN 55 Ca 0.23 -0.20 0.03 0.00 -0.15 0.00 0.00 58.65 58.55 3m1x h GLN 55 Cb 0.16 -0.13 -0.03 0.00 1.07 0.00 0.00 27.48 28.54 3m1x h GLN 55 CO -0.02 0.83 0.23 0.28 -2.65 0.00 0.00 178.83 177.50 3m1x h VAL 56 N 0.84 1.01 -0.13 2.39 2.07 -0.72 0.76 116.25 122.47 3m1x h VAL 56 Ca 0.19 -0.16 -0.13 0.00 0.82 0.00 0.00 66.70 67.43 3m1x h VAL 56 Cb 0.30 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 3m1x h VAL 56 CO -0.00 0.08 -0.47 0.24 0.02 0.00 0.00 177.57 177.44 3m1x h MET 57 N 0.46 0.34 -0.44 1.57 2.86 -1.06 -0.82 114.93 117.83 3m1x h MET 57 Ca 0.17 -0.18 -0.03 0.00 -2.06 0.00 0.00 59.70 57.60 3m1x h MET 57 Cb 0.05 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.70 3m1x h MET 57 CO -0.10 0.74 0.16 1.15 1.06 0.00 0.00 176.91 179.91 3m1x h THR 58 N 0.27 1.21 -0.50 2.22 2.02 -1.09 -2.17 112.91 114.88 3m1x h THR 58 Ca 0.02 -0.67 0.02 0.00 0.77 0.00 0.00 66.41 66.54 3m1x h THR 58 Cb 0.93 0.84 -0.03 0.00 -1.74 0.00 0.00 68.15 68.14 3m1x h THR 58 CO 0.08 0.24 0.31 0.78 0.37 0.00 0.00 175.52 177.30 3m1x h ASN 59 N 0.56 0.51 -0.44 4.18 2.35 -0.48 -1.54 115.58 120.73 3m1x h ASN 59 Ca 0.14 -0.00 0.06 0.00 -0.55 0.00 0.00 56.30 55.95 3m1x h ASN 59 Cb 0.23 -0.11 -0.05 0.00 0.05 0.00 0.00 38.32 38.43 3m1x h ASN 59 CO -0.01 0.36 0.13 0.25 -1.65 0.00 0.00 177.43 176.52 3m1x h LEU 60 N 0.62 0.11 -0.67 1.61 5.85 -1.04 -1.63 115.31 120.15 3m1x h LEU 60 Ca 0.19 0.06 0.03 0.00 0.84 0.00 0.00 57.88 59.00 3m1x h LEU 60 Cb -0.01 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 3m1x h LEU 60 CO -0.08 0.09 0.41 0.50 -0.34 0.00 0.00 178.44 179.03 3m1x h LYS 61 N 0.29 0.79 -0.59 1.25 3.64 -0.97 -0.36 116.57 120.61 3m1x h LYS 61 Ca 0.21 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.56 3m1x h LYS 61 Cb 0.23 -0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 31.83 3m1x h LYS 61 CO -0.23 0.52 0.37 1.88 -2.27 0.00 0.00 179.45 179.71 3m1x h TYR 62 N 0.81 0.69 -0.30 1.91 0.05 -0.79 -0.27 116.97 119.07 3m1x h TYR 62 Ca 0.27 0.02 -0.03 0.00 0.05 0.00 0.00 58.73 59.04 3m1x h TYR 62 Cb 0.03 -0.23 -0.01 0.00 1.01 0.00 0.00 36.73 37.53 3m1x h TYR 62 CO -0.05 0.41 0.08 0.28 -1.05 0.00 0.00 178.16 177.82 3m1x h VAL 63 N 0.73 1.21 -0.44 -2.88 2.07 -0.80 -1.51 116.25 114.64 3m1x h VAL 63 Ca 0.23 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 67.04 3m1x h VAL 63 Cb -0.01 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 3m1x h VAL 63 CO -0.08 0.24 0.28 -0.07 0.02 0.00 0.00 177.57 177.95 3m1x h LEU 64 N 0.33 0.51 -0.69 2.57 3.38 -0.88 -1.87 115.31 118.65 3m1x h LEU 64 Ca 0.10 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.05 3m1x h LEU 64 Cb 0.28 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 3m1x h LEU 64 CO 0.00 0.39 0.46 -0.33 0.09 0.00 0.00 178.44 179.04 3m1x h GLU 65 N 0.59 0.90 -0.06 1.13 5.08 -0.89 0.64 114.58 121.96 3m1x h GLU 65 Ca 0.16 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 3m1x h GLU 65 Cb -0.04 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.00 3m1x h GLU 65 CO -0.03 0.59 -0.05 1.49 -1.00 0.00 0.00 179.01 180.01 3m1x h GLU 66 N 0.92 0.09 0.00 2.33 4.57 -0.87 -1.71 114.58 119.92 3m1x h GLU 66 Ca 0.26 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.43 3m1x h GLU 66 Cb -0.09 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.49 3m1x h GLU 66 CO -0.06 0.15 0.00 0.00 -1.18 0.00 0.00 179.01 177.92 3m1x n ALA 67 N -2.52 2.25 -0.62 2.92 0.00 -0.74 -4.89 120.51 116.92 3m1x n ALA 67 Ca -0.02 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3m1x n ALA 67 Cb 0.16 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.18 3m1x n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3m1x n GLY 68 N 1.23 0.66 0.00 0.00 0.00 -0.64 -5.00 105.19 101.45 3m1x n GLY 68 Ca 0.07 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.85 3m1x n GLY 68 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3m1x n SER 69 N 0.45 0.89 -3.64 1.61 2.88 0.17 -4.82 113.62 111.15 3m1x n SER 69 Ca 0.00 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.48 3m1x n SER 69 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 3m1x n SER 69 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 3m1x s SER 70 N -0.01 -0.28 0.29 -3.46 1.04 -1.26 -3.93 113.70 106.09 3m1x s SER 70 Ca 0.00 -0.24 -0.01 0.00 0.48 0.00 0.00 55.95 56.17 3m1x s SER 70 Cb 0.00 0.48 0.45 0.00 0.10 0.00 0.00 66.02 67.05 3m1x s SER 70 CO 0.00 -0.84 1.93 0.24 0.98 0.00 0.00 173.24 175.55 3m1x h MET 71 N 2.00 1.09 0.00 4.02 2.86 -1.94 -1.96 114.93 121.00 3m1x h MET 71 Ca -0.24 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.34 3m1x h MET 71 Cb 1.24 -0.25 0.00 0.00 0.06 0.00 0.00 31.60 32.66 3m1x h MET 71 CO 0.28 0.72 0.00 -0.25 1.06 0.00 0.00 176.91 178.72 3m1x n ASP 72 N -4.45 0.59 -0.96 1.22 8.00 -1.26 -2.08 116.55 117.60 3m1x n ASP 72 Ca 0.12 0.66 0.11 0.00 0.71 0.00 0.00 54.79 56.39 3m1x n ASP 72 Cb 0.11 -0.78 0.26 0.00 -0.02 0.00 0.00 41.12 40.69 3m1x n ASP 72 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3m1x n LYS 73 N -2.17 2.26 -2.30 -1.24 5.02 -0.74 -4.93 118.16 114.07 3m1x n LYS 73 Ca 0.02 -1.90 -0.42 0.00 -2.02 0.00 0.00 58.31 53.98 3m1x n LYS 73 Cb 0.19 -1.47 -0.03 0.00 -0.02 0.00 0.00 35.03 33.70 3m1x n LYS 73 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3m1x s VAL 74 N -1.57 3.79 -0.15 -0.18 1.01 -0.88 -1.51 120.40 120.89 3m1x s VAL 74 Ca 0.36 1.23 -0.01 0.00 0.00 0.00 0.00 61.98 63.56 3m1x s VAL 74 Cb 0.21 -3.79 -0.24 0.00 0.00 0.00 0.00 36.38 32.57 3m1x s VAL 74 CO 0.29 0.05 0.23 0.52 0.00 0.00 0.00 175.10 176.20 3m1x n VAL 75 N 4.30 1.68 -3.69 2.92 0.31 0.17 -4.51 118.33 119.50 3m1x n VAL 75 Ca 0.11 -0.66 -0.13 0.00 -0.01 0.00 0.00 64.34 63.65 3m1x n VAL 75 Cb 0.44 -1.53 -0.09 0.00 -0.91 0.00 0.00 33.84 31.76 3m1x n VAL 75 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 3m1x s LYS 76 N -2.55 0.63 0.23 5.55 2.47 -1.10 -1.34 119.74 123.63 3m1x s LYS 76 Ca -0.23 0.78 0.09 0.00 -1.56 0.00 0.00 55.97 55.05 3m1x s LYS 76 Cb 0.07 0.30 -0.05 0.00 -1.46 0.00 0.00 37.83 36.69 3m1x s LYS 76 CO 0.74 -0.08 -0.16 0.95 0.16 0.00 0.00 175.35 176.95 3m1x s THR 77 N 0.37 1.96 -0.08 3.43 -4.23 -0.35 -1.03 115.64 115.71 3m1x s THR 77 Ca -0.01 -2.26 0.01 0.00 -1.18 0.00 0.00 61.69 58.26 3m1x s THR 77 Cb -0.04 -2.11 0.02 0.00 1.34 0.00 0.00 72.50 71.71 3m1x s THR 77 CO -0.00 -0.52 -0.11 -0.89 -0.54 0.00 0.00 174.62 172.55 3m1x s THR 78 N -2.79 1.10 -0.25 3.99 2.01 -0.63 -2.16 115.64 116.91 3m1x s THR 78 Ca 0.24 -0.42 0.01 0.00 0.31 0.00 0.00 61.69 61.83 3m1x s THR 78 Cb -0.02 -1.04 0.04 0.00 0.01 0.00 0.00 72.50 71.50 3m1x s THR 78 CO 0.09 0.36 -0.10 0.00 -0.69 0.00 0.00 174.62 174.28 3m1x s LEU 80 N 1.20 3.38 0.08 0.00 1.02 0.31 -1.82 118.68 122.87 3m1x s LEU 80 Ca -0.04 -0.10 0.08 0.00 0.02 0.00 0.00 54.13 54.09 3m1x s LEU 80 Cb -0.18 -1.83 -0.04 0.00 0.02 0.00 0.00 46.19 44.16 3m1x s LEU 80 CO -0.06 0.15 -0.16 -0.76 0.02 0.00 0.00 176.35 175.54 3m1x s LEU 81 N 0.49 2.74 0.40 1.79 1.43 -0.21 -0.97 118.68 124.36 3m1x s LEU 81 Ca -0.01 -0.47 0.21 0.00 -1.03 0.00 0.00 54.13 52.83 3m1x s LEU 81 Cb -0.14 -1.59 0.73 0.00 0.03 0.00 0.00 46.19 45.22 3m1x s LEU 81 CO 0.02 0.21 1.75 0.00 0.23 0.00 0.00 176.35 178.56 3m1x h ALA 82 N 4.02 0.97 -2.75 4.21 0.00 -1.36 0.95 119.26 125.31 3m1x h ALA 82 Ca -0.49 -0.27 -0.18 0.00 0.00 0.00 0.00 54.91 53.97 3m1x h ALA 82 Cb 1.16 -0.05 -0.31 0.00 0.00 0.00 0.00 17.79 18.60 3m1x h ALA 82 CO 0.48 0.37 -0.48 0.34 0.00 0.00 0.00 179.25 179.96 3m1x s ASP 83 N -6.30 0.15 0.57 0.00 -1.08 -1.26 -4.71 116.67 104.05 3m1x s ASP 83 Ca 0.01 0.72 0.26 0.00 -0.52 0.00 0.00 52.55 53.03 3m1x s ASP 83 Cb 0.10 0.91 1.59 0.00 -1.46 0.00 0.00 42.92 44.06 3m1x s ASP 83 CO 0.66 -0.24 2.12 -0.29 0.52 0.00 0.00 175.17 177.95 3m1x h ILE 84 N 6.25 0.61 -0.52 4.11 6.09 -1.94 -0.84 117.51 131.27 3m1x h ILE 84 Ca -0.15 0.00 0.15 0.00 -1.37 0.00 0.00 64.86 63.49 3m1x h ILE 84 Cb 1.11 0.88 -0.02 0.00 0.47 0.00 0.00 36.82 39.26 3m1x h ILE 84 CO 0.13 0.00 0.37 0.07 -3.07 0.00 0.00 178.15 175.65 3m1x h LYS 85 N 0.00 0.01 0.00 2.19 2.10 -2.00 -1.96 116.57 116.91 3m1x h LYS 85 Ca 0.08 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.73 3m1x h LYS 85 Cb 0.38 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.71 3m1x h LYS 85 CO -0.00 0.01 0.00 -0.25 -2.00 0.00 0.00 179.45 177.21 3m1x n ASP 86 N -4.39 0.00 -0.06 7.07 8.00 -0.32 -4.29 116.55 122.56 3m1x n ASP 86 Ca 0.09 -0.88 -0.08 0.00 0.71 0.00 0.00 54.79 54.63 3m1x n ASP 86 Cb 0.59 -0.03 -0.01 0.00 -0.02 0.00 0.00 41.12 41.64 3m1x n ASP 86 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 3m1x h PHE 87 N 0.00 0.10 -0.17 1.24 3.57 -1.52 -0.94 116.94 119.22 3m1x h PHE 87 Ca 0.00 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 3m1x h PHE 87 Cb 0.03 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.76 3m1x h PHE 87 CO 0.00 0.03 0.07 0.78 -2.23 0.00 0.00 178.31 176.97 3m1x h GLY 88 N 0.16 0.26 0.92 2.40 0.00 -1.84 0.11 103.07 105.08 3m1x h GLY 88 Ca 0.12 -0.13 -0.00 0.00 0.00 0.00 0.00 47.33 47.31 3m1x h GLY 88 CO -0.14 0.13 0.07 -2.08 0.00 0.00 0.00 176.54 174.51 3m1x h VAL 89 N 0.13 1.11 -0.67 4.60 2.07 -1.83 -2.18 116.25 119.48 3m1x h VAL 89 Ca 0.06 -0.32 0.07 0.00 0.82 0.00 0.00 66.70 67.33 3m1x h VAL 89 Cb 0.14 1.06 -0.06 0.00 -1.52 0.00 0.00 31.29 30.91 3m1x h VAL 89 CO -0.01 0.10 0.36 0.15 0.02 0.00 0.00 177.57 178.20 3m1x h PHE 90 N 0.12 0.66 -0.47 1.57 3.57 -1.00 -2.61 116.94 118.77 3m1x h PHE 90 Ca 0.05 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.63 3m1x h PHE 90 Cb 0.10 -0.20 -0.05 0.00 2.79 0.00 0.00 35.95 38.59 3m1x h PHE 90 CO -0.03 0.29 0.18 -0.91 -2.23 0.00 0.00 178.31 175.61 3m1x h ASN 91 N 0.65 0.21 -0.96 0.41 2.35 -0.50 -0.03 115.58 117.71 3m1x h ASN 91 Ca 0.31 0.05 0.02 0.00 -0.55 0.00 0.00 56.30 56.13 3m1x h ASN 91 Cb 0.23 0.02 -0.05 0.00 0.05 0.00 0.00 38.32 38.57 3m1x h ASN 91 CO -0.20 0.15 0.63 1.23 -1.65 0.00 0.00 177.43 177.59 3m1x h GLY 92 N 0.37 1.37 1.08 2.83 0.00 -1.06 -0.18 103.07 107.47 3m1x h GLY 92 Ca 0.22 -0.49 -0.15 0.00 0.00 0.00 0.00 47.33 46.91 3m1x h GLY 92 CO -0.21 0.46 -0.35 -2.22 0.00 0.00 0.00 176.54 174.22 3m1x h ILE 93 N 1.26 1.28 -0.32 2.60 2.04 -1.00 -1.91 117.51 121.47 3m1x h ILE 93 Ca 0.36 -1.52 0.03 0.00 1.00 0.00 0.00 64.86 64.73 3m1x h ILE 93 Cb -0.09 1.43 -0.03 0.00 -0.74 0.00 0.00 36.82 37.40 3m1x h ILE 93 CO -0.10 0.50 0.14 0.22 0.00 0.00 0.00 178.15 178.92 3m1x h TYR 94 N 0.66 0.27 -0.68 1.37 3.20 -0.88 -1.43 116.97 119.48 3m1x h TYR 94 Ca 0.06 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.90 3m1x h TYR 94 Cb 0.93 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 39.10 3m1x h TYR 94 CO 0.07 0.14 0.27 0.00 -1.64 0.00 0.00 178.16 176.99 3m1x h ALA 95 N 1.18 0.89 -0.44 1.82 0.00 -0.93 -1.58 119.26 120.20 3m1x h ALA 95 Ca 0.14 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 3m1x h ALA 95 Cb 0.07 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3m1x h ALA 95 CO -0.11 0.51 -0.08 1.49 0.00 0.00 0.00 179.25 181.07 3m1x h GLU 96 N 0.97 0.77 -0.89 0.00 4.81 -1.12 0.45 114.58 119.56 3m1x h GLU 96 Ca 0.23 -0.24 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 3m1x h GLU 96 Cb 0.22 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.48 3m1x h GLU 96 CO -0.02 0.83 0.48 0.00 -0.73 0.00 0.00 179.01 179.57 3m1x h ALA 97 N 1.21 1.16 0.00 2.92 0.00 -0.62 -2.98 119.26 120.95 3m1x h ALA 97 Ca 0.13 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3m1x h ALA 97 Cb 0.54 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3m1x h ALA 97 CO 0.03 0.66 -0.60 1.19 0.00 0.00 0.00 179.25 180.54 3m1x n PHE 98 N -4.33 0.18 -1.13 0.00 3.72 -0.65 -5.03 117.46 110.23 3m1x n PHE 98 Ca 0.09 0.05 0.00 0.00 -0.05 0.00 0.00 57.45 57.55 3m1x n PHE 98 Cb 0.10 -0.38 0.00 0.00 -0.94 0.00 0.00 39.48 38.26 3m1x n PHE 98 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3m1x n GLY 99 N 1.44 3.32 0.09 1.37 0.00 0.12 -1.76 105.19 109.76 3m1x n GLY 99 Ca 0.04 -0.19 0.15 0.00 0.00 0.00 0.00 46.02 46.02 3m1x n GLY 99 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3m1x n ASN 100 N 4.21 0.30 -4.74 1.61 3.02 -1.26 -4.84 115.26 113.56 3m1x n ASN 100 Ca 0.00 -0.73 -0.41 0.00 -0.03 0.00 0.00 54.58 53.41 3m1x n ASN 100 Cb 0.00 -0.09 -0.05 0.00 -0.61 0.00 0.00 39.78 39.03 3m1x n ASN 100 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 3m1x s HIS 101 N -2.27 3.87 -0.53 3.10 2.46 -0.72 -5.01 115.29 116.19 3m1x s HIS 101 Ca 0.37 1.84 0.04 0.00 0.47 0.00 0.00 55.06 57.78 3m1x s HIS 101 Cb 0.21 -3.04 0.16 0.00 -0.13 0.00 0.00 32.58 29.78 3m1x s HIS 101 CO 0.42 0.25 0.38 0.15 -2.47 0.00 0.00 174.74 173.47 3m1x s LYS 102 N -0.61 1.55 0.93 2.88 1.02 -1.26 -4.81 119.74 119.45 3m1x s LYS 102 Ca 0.44 -2.56 -0.11 0.00 0.02 0.00 0.00 55.97 53.77 3m1x s LYS 102 Cb -0.25 -2.32 0.12 0.00 -0.52 0.00 0.00 37.83 34.86 3m1x s LYS 102 CO 0.31 -1.31 0.93 -2.30 -0.92 0.00 0.00 175.35 172.07 3m1x n PRO 103 N 2.64 -0.46 -1.12 -1.68 -0.02 -1.26 -4.99 135.00 128.10 3m1x n PRO 103 Ca 0.22 -0.07 -0.33 0.00 -2.02 0.00 0.00 63.50 61.30 3m1x n PRO 103 Cb 0.41 -2.23 0.12 0.00 -0.02 0.00 0.00 33.50 31.78 3m1x n PRO 103 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3m1x s ALA 104 N -2.57 1.88 -0.13 3.55 0.00 -0.45 -4.87 121.76 119.18 3m1x s ALA 104 Ca 0.64 0.70 -0.23 0.00 0.00 0.00 0.00 51.96 53.08 3m1x s ALA 104 Cb -0.22 -3.44 0.05 0.00 0.00 0.00 0.00 23.12 19.51 3m1x s ALA 104 CO 0.61 -2.22 0.56 0.50 0.00 0.00 0.00 175.76 175.21 3m1x s ARG 105 N -4.31 0.80 -0.00 0.00 3.52 -1.26 -1.22 118.95 116.48 3m1x s ARG 105 Ca 0.70 0.44 0.03 0.00 -0.13 0.00 0.00 55.73 56.77 3m1x s ARG 105 Cb -0.25 0.38 -0.01 0.00 -1.56 0.00 0.00 34.95 33.51 3m1x s ARG 105 CO 0.51 -0.18 -0.09 0.00 -0.81 0.00 0.00 175.30 174.74 3m1x s ALA 106 N -0.48 0.71 0.04 6.12 0.00 -0.92 -4.98 121.76 122.25 3m1x s ALA 106 Ca -0.06 -0.40 0.03 0.00 0.00 0.00 0.00 51.96 51.53 3m1x s ALA 106 Cb -0.03 -0.17 -0.02 0.00 0.00 0.00 0.00 23.12 22.90 3m1x s ALA 106 CO 0.04 0.16 -0.09 0.00 0.00 0.00 0.00 175.76 175.88 3m1x s PHE 108 N -1.18 -0.38 -0.19 0.00 -0.12 -0.75 -4.98 117.98 110.38 3m1x s PHE 108 Ca -0.07 0.17 -0.17 0.00 -0.05 0.00 0.00 56.93 56.81 3m1x s PHE 108 Cb -0.09 0.57 -0.04 0.00 -0.63 0.00 0.00 43.02 42.84 3m1x s PHE 108 CO 0.01 -0.75 0.47 0.00 -0.05 0.00 0.00 175.22 174.89 3m1x s ALA 109 N -3.45 3.54 0.63 1.99 0.00 -1.26 -1.04 121.76 122.18 3m1x s ALA 109 Ca 0.05 -0.43 -0.11 0.00 0.00 0.00 0.00 51.96 51.47 3m1x s ALA 109 Cb -0.01 -2.72 -0.03 0.00 0.00 0.00 0.00 23.12 20.35 3m1x s ALA 109 CO -0.08 -0.33 1.03 0.00 0.00 0.00 0.00 175.76 176.38 3m1x s ALA 110 N 1.39 3.04 0.32 0.00 0.00 0.33 -4.90 121.76 121.94 3m1x s ALA 110 Ca 0.22 -0.06 0.02 0.00 0.00 0.00 0.00 51.96 52.14 3m1x s ALA 110 Cb -0.15 -3.09 0.54 0.00 0.00 0.00 0.00 23.12 20.41 3m1x s ALA 110 CO 0.09 -0.76 1.86 0.00 0.00 0.00 0.00 175.76 176.95 3m1x h ALA 111 N -0.37 1.32 -2.03 0.00 0.00 -1.89 -3.43 119.26 112.86 3m1x h ALA 111 Ca -0.44 -0.20 0.12 0.00 0.00 0.00 0.00 54.91 54.39 3m1x h ALA 111 Cb 1.19 -0.17 -0.17 0.00 0.00 0.00 0.00 17.79 18.64 3m1x h ALA 111 CO 0.61 0.47 0.54 0.00 0.00 0.00 0.00 179.25 180.88 3m1x s ALA 112 N -5.05 -1.88 0.27 0.00 0.00 -1.26 -5.04 121.76 108.80 3m1x s ALA 112 Ca -0.08 1.21 0.12 0.00 0.00 0.00 0.00 51.96 53.20 3m1x s ALA 112 Cb 0.15 0.12 -0.05 0.00 0.00 0.00 0.00 23.12 23.35 3m1x s ALA 112 CO 0.78 -0.60 -0.20 -0.51 0.00 0.00 0.00 175.76 175.23 3m1x s LEU 113 N -2.16 2.58 0.32 0.00 1.43 -1.26 -5.04 118.68 114.54 3m1x s LEU 113 Ca 0.04 -1.02 -0.28 0.00 -1.03 0.00 0.00 54.13 51.84 3m1x s LEU 113 Cb -0.01 -1.07 -0.13 0.00 0.03 0.00 0.00 46.19 45.01 3m1x s LEU 113 CO -0.06 0.03 1.20 -2.65 0.23 0.00 0.00 176.35 175.09 3m1x n PRO 114 N -0.55 1.84 -1.20 1.29 -0.02 -1.26 -2.34 135.00 132.76 3m1x n PRO 114 Ca -0.06 0.65 -0.07 0.00 -2.02 0.00 0.00 63.50 62.00 3m1x n PRO 114 Cb 0.60 -2.16 -0.03 0.00 -0.02 0.00 0.00 33.50 31.89 3m1x n PRO 114 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3m1x n LYS 115 N 0.70 -1.12 -1.15 -0.52 5.02 -1.26 -1.58 118.16 118.25 3m1x n LYS 115 Ca 0.07 0.66 -0.05 0.00 -2.02 0.00 0.00 58.31 56.97 3m1x n LYS 115 Cb 0.34 -4.69 -0.02 0.00 -0.02 0.00 0.00 35.03 30.64 3m1x n LYS 115 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3m1x n GLY 116 N -0.86 0.76 3.71 0.72 0.00 -0.99 -4.99 105.19 103.54 3m1x n GLY 116 Ca -0.07 -0.56 -0.36 0.00 0.00 0.00 0.00 46.02 45.03 3m1x n GLY 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m1x n ALA 117 N 1.09 0.73 0.40 4.61 0.00 -0.61 -4.93 120.51 121.81 3m1x n ALA 117 Ca -0.05 -0.09 0.12 0.00 0.00 0.00 0.00 53.44 53.42 3m1x n ALA 117 Cb 0.21 -2.28 0.10 0.00 0.00 0.00 0.00 19.45 17.48 3m1x n ALA 117 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3m1x h LEU 118 N 0.14 0.00 -7.06 0.00 3.38 -1.94 -3.40 115.31 106.43 3m1x h LEU 118 Ca -0.49 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.27 3m1x h LEU 118 Cb 1.33 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.87 3m1x h LEU 118 CO 0.51 0.08 0.08 0.54 0.09 0.00 0.00 178.44 179.73 3m1x s VAL 119 N -3.24 0.00 -0.02 1.22 0.11 -1.26 -1.09 120.40 116.12 3m1x s VAL 119 Ca 0.04 -0.01 -0.01 0.00 -2.93 0.00 0.00 61.98 59.06 3m1x s VAL 119 Cb 0.12 -0.93 0.02 0.00 -1.53 0.00 0.00 36.38 34.06 3m1x s VAL 119 CO 0.75 -0.01 0.05 -0.70 -3.33 0.00 0.00 175.10 171.86 3m1x s GLU 120 N 0.02 0.02 -0.07 1.54 2.12 -0.14 -4.31 118.70 117.87 3m1x s GLU 120 Ca -0.02 0.14 -0.01 0.00 0.36 0.00 0.00 54.97 55.44 3m1x s GLU 120 Cb -0.04 -0.11 0.03 0.00 0.26 0.00 0.00 34.13 34.27 3m1x s GLU 120 CO 0.03 -0.09 -0.02 0.08 -0.54 0.00 0.00 175.26 174.72 3m1x s VAL 121 N 0.57 0.52 0.34 3.70 1.01 -0.50 -0.53 120.40 125.51 3m1x s VAL 121 Ca -0.05 -0.00 0.08 0.00 0.00 0.00 0.00 61.98 62.01 3m1x s VAL 121 Cb -0.07 -0.62 -0.03 0.00 0.00 0.00 0.00 36.38 35.66 3m1x s VAL 121 CO -0.02 0.27 0.24 -1.83 0.00 0.00 0.00 175.10 173.76 3m1x s GLU 122 N 1.66 2.60 0.24 2.72 -1.05 -0.67 -0.68 118.70 123.52 3m1x s GLU 122 Ca 0.01 -1.38 -0.20 0.00 -0.15 0.00 0.00 54.97 53.24 3m1x s GLU 122 Cb -0.13 -2.37 0.03 0.00 -0.44 0.00 0.00 34.13 31.22 3m1x s GLU 122 CO -0.04 0.10 0.64 0.00 0.95 0.00 0.00 175.26 176.91 3m1x s ILE 124 N -3.88 1.88 0.18 0.00 1.01 -0.20 -1.23 121.20 118.95 3m1x s ILE 124 Ca 0.10 -0.98 0.01 0.00 0.00 0.00 0.00 60.65 59.77 3m1x s ILE 124 Cb -0.04 -1.59 -0.05 0.00 0.01 0.00 0.00 42.46 40.80 3m1x s ILE 124 CO 0.01 0.53 0.04 0.00 0.00 0.00 0.00 174.94 175.52 3m1x s ALA 125 N -0.19 1.29 0.11 9.38 0.00 -0.27 -0.66 121.76 131.42 3m1x s ALA 125 Ca -0.01 -1.61 0.02 0.00 0.00 0.00 0.00 51.96 50.35 3m1x s ALA 125 Cb -0.12 0.74 -0.04 0.00 0.00 0.00 0.00 23.12 23.70 3m1x s ALA 125 CO 0.03 -0.39 0.23 -0.08 0.00 0.00 0.00 175.76 175.54 3m1x s THR 126 N -3.79 5.25 -2.00 0.00 -1.32 -0.57 -0.31 115.64 112.90 3m1x s THR 126 Ca 0.27 -0.58 0.13 0.00 -1.21 0.00 0.00 61.69 60.29 3m1x s THR 126 Cb 0.07 -3.62 0.37 0.00 -1.51 0.00 0.00 72.50 67.80 3m1x s THR 126 CO 0.05 0.03 1.20 0.18 -2.21 0.00 0.00 174.62 173.87