#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mh1 s PRO 6 N 0.00 1.16 -0.13 5.56 0.04 -1.26 -5.01 135.00 135.37 3mh1 s PRO 6 Ca 0.00 1.07 -0.25 0.00 0.04 0.00 0.00 61.00 61.86 3mh1 s PRO 6 Cb 0.00 -1.78 -0.02 0.00 0.04 0.00 0.00 34.50 32.74 3mh1 s PRO 6 CO 0.00 -2.37 0.79 0.99 0.04 0.00 0.00 177.00 176.44 3mh1 s THR 7 N -2.81 4.94 0.08 1.26 2.01 -1.26 -4.97 115.64 114.90 3mh1 s THR 7 Ca 0.64 1.57 0.02 0.00 0.31 0.00 0.00 61.69 64.24 3mh1 s THR 7 Cb -0.20 -4.11 -0.04 0.00 0.01 0.00 0.00 72.50 68.17 3mh1 s THR 7 CO 0.58 0.11 0.12 -0.36 -0.69 0.00 0.00 174.62 174.38 3mh1 s PHE 8 N 1.62 3.28 0.19 4.92 0.40 -1.26 0.02 117.98 127.14 3mh1 s PHE 8 Ca 0.38 0.12 0.06 0.00 -0.60 0.00 0.00 56.93 56.90 3mh1 s PHE 8 Cb -0.17 -1.66 -0.05 0.00 0.51 0.00 0.00 43.02 41.66 3mh1 s PHE 8 CO 0.15 0.54 -0.11 1.52 0.70 0.00 0.00 175.22 178.02 3mh1 s TYR 9 N -1.43 1.55 0.11 0.36 -0.85 -0.82 -4.89 117.35 111.38 3mh1 s TYR 9 Ca 0.31 -0.67 0.10 0.00 -0.52 0.00 0.00 57.07 56.28 3mh1 s TYR 9 Cb -0.12 -0.77 -0.04 0.00 0.38 0.00 0.00 41.96 41.41 3mh1 s TYR 9 CO 0.24 0.22 -0.22 1.03 -1.52 0.00 0.00 175.55 175.30 3mh1 s ARG 10 N -3.70 1.64 -0.27 -3.49 0.52 -1.26 -2.15 118.95 110.24 3mh1 s ARG 10 Ca 0.21 -1.24 -0.19 0.00 -0.52 0.00 0.00 55.73 53.99 3mh1 s ARG 10 Cb 0.01 -2.02 0.07 0.00 0.52 0.00 0.00 34.95 33.53 3mh1 s ARG 10 CO 0.05 0.47 0.68 -1.14 0.02 0.00 0.00 175.30 175.38 3mh1 s GLN 11 N -2.03 0.74 -0.26 3.54 0.74 -0.15 -4.97 119.66 117.27 3mh1 s GLN 11 Ca 0.16 1.10 -0.20 0.00 0.05 0.00 0.00 55.36 56.47 3mh1 s GLN 11 Cb -0.10 0.24 -0.02 0.00 1.10 0.00 0.00 33.01 34.23 3mh1 s GLN 11 CO 0.08 -0.13 0.60 -2.00 -0.55 0.00 0.00 175.29 173.30 3mh1 s GLU 12 N 1.08 4.08 -0.20 1.67 -6.30 -1.26 0.08 118.70 117.84 3mh1 s GLU 12 Ca -0.06 0.47 0.01 0.00 -2.50 0.00 0.00 54.97 52.90 3mh1 s GLU 12 Cb -0.05 -3.66 0.03 0.00 0.00 0.00 0.00 34.13 30.45 3mh1 s GLU 12 CO -0.11 -0.42 -0.17 -0.51 0.02 0.00 0.00 175.26 174.08 3mh1 s LEU 13 N 2.47 2.50 0.00 2.70 2.01 -0.60 -4.95 118.68 122.82 3mh1 s LEU 13 Ca 0.25 -0.82 0.00 0.00 0.01 0.00 0.00 54.13 53.57 3mh1 s LEU 13 Cb -0.15 -1.51 0.00 0.00 0.01 0.00 0.00 46.19 44.53 3mh1 s LEU 13 CO 0.09 -0.05 0.00 0.59 1.01 0.00 0.00 176.35 177.99 3mh1 n ASN 14 N 4.59 0.00 -0.09 2.29 4.13 -1.26 -2.23 115.26 122.68 3mh1 n ASN 14 Ca -0.19 0.00 -0.15 0.00 1.68 0.00 0.00 54.58 55.92 3mh1 n ASN 14 Cb 0.48 0.00 -0.08 0.00 -1.54 0.00 0.00 39.78 38.64 3mh1 n ASN 14 CO 0.00 0.00 0.00 0.11 0.28 0.00 0.00 177.26 177.65 3mh1 h LYS 15 N 0.00 0.00 -5.26 3.52 1.57 -1.99 -3.50 116.57 110.91 3mh1 h LYS 15 Ca 0.00 0.00 -0.47 0.00 -1.87 0.00 0.00 60.65 58.31 3mh1 h LYS 15 Cb 0.00 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 32.17 3mh1 h LYS 15 CO 0.00 0.67 -0.63 0.95 -0.57 0.00 0.00 179.45 179.87 3mh1 s THR 16 N -2.27 1.25 -0.14 -0.16 -4.23 -0.95 -5.12 115.64 104.03 3mh1 s THR 16 Ca -0.22 -2.02 -0.29 0.00 -1.18 0.00 0.00 61.69 57.97 3mh1 s THR 16 Cb 0.04 -2.68 -0.01 0.00 1.34 0.00 0.00 72.50 71.18 3mh1 s THR 16 CO 0.47 -0.09 1.13 -0.63 -0.54 0.00 0.00 174.62 174.95 3mh1 s ILE 17 N -3.26 4.49 -0.15 2.99 -1.09 -1.26 -1.55 121.20 121.36 3mh1 s ILE 17 Ca 0.34 1.79 -0.12 0.00 -2.23 0.00 0.00 60.65 60.44 3mh1 s ILE 17 Cb 0.08 -4.15 -0.05 0.00 -1.58 0.00 0.00 42.46 36.75 3mh1 s ILE 17 CO 0.14 -0.08 0.23 0.26 -1.23 0.00 0.00 174.94 174.27 3mh1 s TRP 18 N 2.72 3.49 -0.29 3.97 0.52 0.11 -4.92 118.94 124.54 3mh1 s TRP 18 Ca 0.51 0.54 0.03 0.00 0.02 0.00 0.00 56.10 57.19 3mh1 s TRP 18 Cb -0.20 -2.23 0.08 0.00 -1.15 0.00 0.00 33.47 29.98 3mh1 s TRP 18 CO 0.15 0.36 -0.01 -1.21 0.02 0.00 0.00 176.95 176.26 3mh1 s GLU 19 N 0.10 1.68 0.13 4.98 2.02 -1.26 -0.98 118.70 125.36 3mh1 s GLU 19 Ca 0.14 -1.50 0.06 0.00 0.02 0.00 0.00 54.97 53.69 3mh1 s GLU 19 Cb -0.13 -2.90 -0.04 0.00 0.10 0.00 0.00 34.13 31.16 3mh1 s GLU 19 CO 0.03 -0.77 -0.14 0.14 0.02 0.00 0.00 175.26 174.54 3mh1 s VAL 20 N 1.10 1.34 0.53 2.63 -7.23 -0.92 -4.58 120.40 113.28 3mh1 s VAL 20 Ca 0.02 -1.74 -0.20 0.00 -1.81 0.00 0.00 61.98 58.25 3mh1 s VAL 20 Cb -0.19 -1.56 -0.08 0.00 0.56 0.00 0.00 36.38 35.11 3mh1 s VAL 20 CO -0.08 -0.43 0.76 -2.65 -0.31 0.00 0.00 175.10 172.39 3mh1 n PRO 21 N 0.49 0.81 0.32 4.82 -0.02 -1.26 -1.95 135.00 138.21 3mh1 n PRO 21 Ca -0.15 0.31 0.19 0.00 -2.02 0.00 0.00 63.50 61.83 3mh1 n PRO 21 Cb 0.57 -1.88 1.07 0.00 -0.02 0.00 0.00 33.50 33.24 3mh1 n PRO 21 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3mh1 h GLU 22 N 0.67 0.00 -0.08 -0.52 4.11 -0.76 -1.91 114.58 116.09 3mh1 h GLU 22 Ca -0.45 0.00 0.02 0.00 0.07 0.00 0.00 59.36 59.00 3mh1 h GLU 22 Cb 1.38 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.62 3mh1 h GLU 22 CO 0.51 0.01 0.13 0.07 0.07 0.00 0.00 179.01 179.80 3mh1 h ARG 23 N 0.00 0.00 -5.05 1.06 0.11 -1.88 -3.40 114.38 105.21 3mh1 h ARG 23 Ca -0.00 0.00 -0.63 0.00 0.10 0.00 0.00 59.98 59.45 3mh1 h ARG 23 Cb 0.04 0.00 -0.19 0.00 1.11 0.00 0.00 29.97 30.93 3mh1 h ARG 23 CO 0.00 0.00 -0.57 0.71 0.10 0.00 0.00 179.97 180.21 3mh1 s TYR 24 N -4.43 3.18 0.33 4.08 1.51 -0.72 -1.52 117.35 119.79 3mh1 s TYR 24 Ca -0.05 -0.09 0.06 0.00 -1.01 0.00 0.00 57.07 55.98 3mh1 s TYR 24 Cb 0.14 -2.22 -0.07 0.00 -0.11 0.00 0.00 41.96 39.70 3mh1 s TYR 24 CO 0.47 -0.12 -0.00 -0.65 -1.11 0.00 0.00 175.55 174.14 3mh1 s GLN 25 N 1.21 1.69 -1.32 -0.62 -1.52 -0.46 -4.84 119.66 113.79 3mh1 s GLN 25 Ca 0.05 -1.91 -0.11 0.00 -1.95 0.00 0.00 55.36 51.44 3mh1 s GLN 25 Cb -0.14 -1.18 0.00 0.00 -0.22 0.00 0.00 33.01 31.47 3mh1 s GLN 25 CO 0.04 -0.06 0.50 0.09 -0.25 0.00 0.00 175.29 175.61 3mh1 n ASN 26 N -0.72 -2.05 -4.75 5.90 3.02 -1.26 -0.62 115.26 114.78 3mh1 n ASN 26 Ca -0.04 -1.09 -0.41 0.00 -0.03 0.00 0.00 54.58 53.01 3mh1 n ASN 26 Cb 0.65 -2.74 -0.02 0.00 -0.61 0.00 0.00 39.78 37.06 3mh1 n ASN 26 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3mh1 s LEU 27 N -6.97 4.40 -0.20 3.41 1.43 -1.26 -4.46 118.68 115.04 3mh1 s LEU 27 Ca 0.20 2.62 -0.05 0.00 -1.03 0.00 0.00 54.13 55.88 3mh1 s LEU 27 Cb -0.09 -3.63 0.07 0.00 0.03 0.00 0.00 46.19 42.58 3mh1 s LEU 27 CO 0.91 -0.63 0.13 -0.55 0.23 0.00 0.00 176.35 176.44 3mh1 s SER 28 N 0.14 2.27 0.33 2.29 0.15 0.14 -4.94 113.70 114.08 3mh1 s SER 28 Ca 0.56 -0.62 -0.29 0.00 0.70 0.00 0.00 55.95 56.30 3mh1 s SER 28 Cb -0.40 -0.11 -0.12 0.00 -1.71 0.00 0.00 66.02 63.68 3mh1 s SER 28 CO 0.45 -0.36 1.46 -2.65 1.20 0.00 0.00 173.24 173.34 3mh1 n PRO 29 N 5.29 2.47 -0.02 5.44 -0.02 -1.26 -1.68 135.00 145.22 3mh1 n PRO 29 Ca -0.06 0.87 0.01 0.00 -2.02 0.00 0.00 63.50 62.30 3mh1 n PRO 29 Cb 0.48 -2.57 0.02 0.00 -0.02 0.00 0.00 33.50 31.41 3mh1 n PRO 29 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3mh1 n VAL 30 N 1.01 0.97 0.00 -1.45 0.24 0.19 -4.84 118.33 114.46 3mh1 n VAL 30 Ca 0.05 -1.02 0.00 0.00 -2.04 0.00 0.00 64.34 61.33 3mh1 n VAL 30 Cb 0.37 0.47 0.00 0.00 -1.47 0.00 0.00 33.84 33.21 3mh1 n VAL 30 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3mh1 n GLY 31 N -0.54 0.15 3.63 7.63 0.00 -1.24 -4.96 105.19 109.86 3mh1 n GLY 31 Ca 0.02 -2.30 -0.39 0.00 0.00 0.00 0.00 46.02 43.36 3mh1 n GLY 31 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3mh1 s SER 32 N -1.55 6.31 -0.08 1.61 0.15 -1.26 -1.85 113.70 117.02 3mh1 s SER 32 Ca 0.00 0.36 -0.11 0.00 0.70 0.00 0.00 55.95 56.89 3mh1 s SER 32 Cb 0.00 -2.21 0.03 0.00 -1.71 0.00 0.00 66.02 62.12 3mh1 s SER 32 CO 0.00 -0.13 0.29 -0.83 1.20 0.00 0.00 173.24 173.77 3mh1 s GLY 33 N 1.40 -0.19 -0.95 9.45 0.00 -0.98 -5.00 107.32 111.06 3mh1 s GLY 33 Ca 0.16 0.67 -0.11 0.00 0.00 0.00 0.00 44.72 45.44 3mh1 s GLY 33 CO 0.09 0.53 0.63 0.00 0.00 0.00 0.00 173.10 174.35 3mh1 n ALA 34 N 2.46 -2.75 -2.44 3.20 0.00 -0.97 -3.27 120.51 116.73 3mh1 n ALA 34 Ca -0.15 -0.37 -0.17 0.00 0.00 0.00 0.00 53.44 52.75 3mh1 n ALA 34 Cb 0.57 -1.33 0.01 0.00 0.00 0.00 0.00 19.45 18.71 3mh1 n ALA 34 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3mh1 n TYR 35 N -3.39 -1.18 0.00 0.00 9.36 -1.26 -4.97 117.16 115.72 3mh1 n TYR 35 Ca -0.25 0.49 0.00 0.00 3.32 0.00 0.00 57.90 61.46 3mh1 n TYR 35 Cb 0.65 -0.95 0.00 0.00 -0.63 0.00 0.00 39.34 38.41 3mh1 n TYR 35 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3mh1 n GLY 36 N -0.35 4.08 3.90 2.98 0.00 -1.20 -3.36 105.19 111.24 3mh1 n GLY 36 Ca -0.07 -1.12 -0.28 0.00 0.00 0.00 0.00 46.02 44.54 3mh1 n GLY 36 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3mh1 s SER 37 N 0.00 5.93 -0.05 1.61 0.01 -1.17 -2.31 113.70 117.72 3mh1 s SER 37 Ca 0.00 1.00 0.01 0.00 1.31 0.00 0.00 55.95 58.27 3mh1 s SER 37 Cb 0.00 -2.08 0.02 0.00 0.21 0.00 0.00 66.02 64.17 3mh1 s SER 37 CO 0.00 -0.91 -0.05 -0.69 0.41 0.00 0.00 173.24 172.00 3mh1 s VAL 38 N -3.01 0.62 -0.02 3.43 1.01 -0.77 -1.96 120.40 119.71 3mh1 s VAL 38 Ca 0.53 -0.16 0.02 0.00 0.00 0.00 0.00 61.98 62.37 3mh1 s VAL 38 Cb -0.11 -0.64 -0.03 0.00 0.00 0.00 0.00 36.38 35.60 3mh1 s VAL 38 CO 0.48 0.25 -0.04 0.00 0.00 0.00 0.00 175.10 175.79 3mh1 s ALA 40 N -0.99 3.28 0.06 0.00 0.00 -0.68 -0.19 121.76 123.24 3mh1 s ALA 40 Ca 0.17 0.64 -0.05 0.00 0.00 0.00 0.00 51.96 52.72 3mh1 s ALA 40 Cb -0.11 -3.23 -0.02 0.00 0.00 0.00 0.00 23.12 19.77 3mh1 s ALA 40 CO 0.07 0.09 0.09 0.00 0.00 0.00 0.00 175.76 176.01 3mh1 s ALA 41 N -1.38 0.03 -0.28 0.00 0.00 0.20 0.26 121.76 120.60 3mh1 s ALA 41 Ca 0.47 -0.74 -0.16 0.00 0.00 0.00 0.00 51.96 51.52 3mh1 s ALA 41 Cb -0.24 0.32 -0.03 0.00 0.00 0.00 0.00 23.12 23.18 3mh1 s ALA 41 CO 0.30 -0.39 0.44 0.12 0.00 0.00 0.00 175.76 176.24 3mh1 s PHE 42 N -3.31 3.25 -0.77 0.00 5.36 0.21 -0.51 117.98 122.21 3mh1 s PHE 42 Ca 0.01 0.47 -0.23 0.00 -0.96 0.00 0.00 56.93 56.21 3mh1 s PHE 42 Cb 0.03 -2.67 0.06 0.00 -0.34 0.00 0.00 43.02 40.11 3mh1 s PHE 42 CO -0.08 -0.28 1.14 0.34 -1.46 0.00 0.00 175.22 174.88 3mh1 s ASP 43 N 1.62 6.27 0.25 6.13 -1.08 0.89 -1.36 116.67 129.40 3mh1 s ASP 43 Ca 0.18 -1.04 0.20 0.00 -0.52 0.00 0.00 52.55 51.37 3mh1 s ASP 43 Cb -0.16 -2.48 0.97 0.00 -1.46 0.00 0.00 42.92 39.80 3mh1 s ASP 43 CO 0.10 -1.52 1.61 0.35 0.52 0.00 0.00 175.17 176.23 3mh1 n THR 44 N 6.12 1.06 0.09 1.71 -2.24 -0.58 -0.38 114.28 120.06 3mh1 n THR 44 Ca 0.07 0.53 -0.11 0.00 -2.27 0.00 0.00 64.05 62.26 3mh1 n THR 44 Cb 0.48 -1.49 -0.07 0.00 -2.10 0.00 0.00 70.33 67.15 3mh1 n THR 44 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3mh1 h LYS 45 N 0.00 0.22 0.00 -0.78 3.11 -1.90 -3.36 116.57 113.86 3mh1 h LYS 45 Ca 0.00 -0.29 0.00 0.00 -2.81 0.00 0.00 60.65 57.55 3mh1 h LYS 45 Cb 0.13 0.09 0.00 0.00 -1.00 0.00 0.00 32.23 31.46 3mh1 h LYS 45 CO 0.00 1.06 -0.35 0.25 -2.81 0.00 0.00 179.45 177.60 3mh1 n THR 46 N -3.59 0.00 -1.03 1.00 -2.24 -0.57 -4.99 114.28 102.86 3mh1 n THR 46 Ca -0.05 -0.35 -0.01 0.00 -2.27 0.00 0.00 64.05 61.37 3mh1 n THR 46 Cb 0.89 0.86 -0.00 0.00 -2.10 0.00 0.00 70.33 69.98 3mh1 n THR 46 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mh1 n GLY 47 N 1.39 0.49 3.68 3.38 0.00 0.48 -5.04 105.19 109.57 3mh1 n GLY 47 Ca 0.00 -0.34 -0.27 0.00 0.00 0.00 0.00 46.02 45.41 3mh1 n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mh1 s LEU 48 N -0.20 3.39 0.16 0.99 1.43 -1.21 -4.90 118.68 118.33 3mh1 s LEU 48 Ca 0.00 -0.34 -0.17 0.00 -1.03 0.00 0.00 54.13 52.60 3mh1 s LEU 48 Cb 0.00 -2.05 -0.07 0.00 0.03 0.00 0.00 46.19 44.10 3mh1 s LEU 48 CO 0.00 0.10 0.60 -0.13 0.23 0.00 0.00 176.35 177.15 3mh1 s ARG 49 N -2.89 4.10 0.24 1.70 0.52 -1.26 -0.08 118.95 121.28 3mh1 s ARG 49 Ca 0.28 0.64 0.00 0.00 -0.52 0.00 0.00 55.73 56.13 3mh1 s ARG 49 Cb -0.10 -2.97 -0.05 0.00 0.52 0.00 0.00 34.95 32.36 3mh1 s ARG 49 CO 0.19 0.48 0.11 0.14 0.02 0.00 0.00 175.30 176.24 3mh1 s VAL 50 N -1.42 0.35 -0.20 3.52 -7.23 0.34 -3.87 120.40 111.88 3mh1 s VAL 50 Ca 0.38 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.49 3mh1 s VAL 50 Cb -0.16 -2.59 -0.03 0.00 0.56 0.00 0.00 36.38 34.16 3mh1 s VAL 50 CO 0.20 0.00 0.03 0.00 -0.31 0.00 0.00 175.10 175.01 3mh1 s ALA 51 N -3.90 3.17 -0.23 1.32 0.00 -0.22 -0.63 121.76 121.27 3mh1 s ALA 51 Ca 0.38 -0.92 -0.05 0.00 0.00 0.00 0.00 51.96 51.38 3mh1 s ALA 51 Cb 0.07 -1.85 -0.01 0.00 0.00 0.00 0.00 23.12 21.34 3mh1 s ALA 51 CO 0.13 -0.07 -0.01 0.08 0.00 0.00 0.00 175.76 175.89 3mh1 s VAL 52 N 0.84 3.61 -0.20 0.00 1.01 0.74 -1.09 120.40 125.30 3mh1 s VAL 52 Ca 0.02 -0.44 -0.05 0.00 0.00 0.00 0.00 61.98 61.51 3mh1 s VAL 52 Cb -0.14 -2.67 -0.02 0.00 0.00 0.00 0.00 36.38 33.55 3mh1 s VAL 52 CO 0.02 0.38 -0.01 -0.75 0.00 0.00 0.00 175.10 174.74 3mh1 s LYS 53 N 1.51 3.57 -0.37 2.72 2.20 0.26 -1.37 119.74 128.26 3mh1 s LYS 53 Ca 0.06 -0.54 -0.24 0.00 -0.36 0.00 0.00 55.97 54.88 3mh1 s LYS 53 Cb -0.15 -3.04 0.01 0.00 -1.51 0.00 0.00 37.83 33.14 3mh1 s LYS 53 CO -0.01 -0.01 0.84 0.21 -0.36 0.00 0.00 175.35 176.02 3mh1 s LYS 54 N 1.03 3.76 0.29 4.03 2.20 -0.83 0.05 119.74 130.27 3mh1 s LYS 54 Ca 0.02 0.38 -0.29 0.00 -0.36 0.00 0.00 55.97 55.71 3mh1 s LYS 54 Cb -0.14 -3.82 -0.10 0.00 -1.51 0.00 0.00 37.83 32.25 3mh1 s LYS 54 CO 0.01 -0.91 1.40 -0.51 -0.36 0.00 0.00 175.35 174.98 3mh1 s LEU 55 N 3.27 4.39 -0.34 5.43 1.43 0.10 -3.04 118.68 129.92 3mh1 s LEU 55 Ca 0.34 2.73 -0.29 0.00 -1.03 0.00 0.00 54.13 55.87 3mh1 s LEU 55 Cb -0.13 -3.64 0.01 0.00 0.03 0.00 0.00 46.19 42.46 3mh1 s LEU 55 CO 0.18 -0.67 1.30 -0.55 0.23 0.00 0.00 176.35 176.84 3mh1 s SER 56 N 0.02 6.61 -0.90 2.29 0.15 -1.21 -4.38 113.70 116.28 3mh1 s SER 56 Ca 0.55 1.05 -0.15 0.00 0.70 0.00 0.00 55.95 58.11 3mh1 s SER 56 Cb -0.42 -2.54 0.02 0.00 -1.71 0.00 0.00 66.02 61.37 3mh1 s SER 56 CO 0.49 -1.16 0.57 0.54 1.20 0.00 0.00 173.24 174.88 3mh1 n ARG 57 N 7.50 -0.89 0.02 5.44 1.74 -1.26 -4.80 116.66 124.41 3mh1 n ARG 57 Ca 0.15 0.36 0.20 0.00 -0.77 0.00 0.00 57.85 57.79 3mh1 n ARG 57 Cb 0.47 -2.03 0.70 0.00 -1.02 0.00 0.00 32.46 30.58 3mh1 n ARG 57 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 3mh1 h PRO 58 N -1.04 0.00 0.00 5.56 0.11 -1.82 -2.82 132.00 131.99 3mh1 h PRO 58 Ca -0.61 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.47 3mh1 h PRO 58 Cb 1.27 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.32 3mh1 h PRO 58 CO 0.39 0.00 -0.53 1.19 -0.21 0.00 0.00 178.00 178.85 3mh1 n PHE 59 N -4.32 0.00 0.24 0.65 3.72 -1.26 -2.36 117.46 114.14 3mh1 n PHE 59 Ca 0.09 -1.29 0.09 0.00 -0.05 0.00 0.00 57.45 56.29 3mh1 n PHE 59 Cb 0.59 -0.22 0.64 0.00 -0.94 0.00 0.00 39.48 39.55 3mh1 n PHE 59 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 3mh1 h GLN 60 N 0.89 0.01 -2.54 -1.08 4.15 -1.85 -3.46 115.11 111.23 3mh1 h GLN 60 Ca -0.03 -0.00 0.14 0.00 0.77 0.00 0.00 58.65 59.53 3mh1 h GLN 60 Cb 1.13 -0.00 -0.07 0.00 0.21 0.00 0.00 27.48 28.75 3mh1 h GLN 60 CO 0.01 0.00 0.42 -1.54 -1.93 0.00 0.00 178.83 175.80 3mh1 s SER 61 N -7.00 -0.17 0.25 -0.69 1.04 -1.26 -4.99 113.70 100.87 3mh1 s SER 61 Ca -0.05 -0.51 -0.05 0.00 0.48 0.00 0.00 55.95 55.82 3mh1 s SER 61 Cb 0.17 0.56 0.46 0.00 0.10 0.00 0.00 66.02 67.32 3mh1 s SER 61 CO 0.68 -1.05 1.66 0.40 0.98 0.00 0.00 173.24 175.90 3mh1 h ILE 62 N 2.00 0.43 -0.36 -1.02 2.04 -1.92 0.80 117.51 119.48 3mh1 h ILE 62 Ca -0.23 -0.06 -0.02 0.00 1.00 0.00 0.00 64.86 65.54 3mh1 h ILE 62 Cb 1.23 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 3mh1 h ILE 62 CO 0.26 0.03 0.14 0.40 0.00 0.00 0.00 178.15 178.98 3mh1 h ILE 63 N 0.19 1.19 -0.33 -0.67 1.08 -1.97 -1.00 117.51 116.00 3mh1 h ILE 63 Ca 0.42 -0.59 -0.16 0.00 -0.39 0.00 0.00 64.86 64.14 3mh1 h ILE 63 Cb 0.74 0.92 -0.01 0.00 -3.07 0.00 0.00 36.82 35.41 3mh1 h ILE 63 CO -0.58 0.21 -0.43 0.45 -0.69 0.00 0.00 178.15 177.10 3mh1 h HIS 64 N 0.43 1.00 -0.16 1.37 3.86 -1.75 -2.29 115.15 117.62 3mh1 h HIS 64 Ca 0.12 -0.31 -0.11 0.00 -1.16 0.00 0.00 60.37 58.90 3mh1 h HIS 64 Cb 0.20 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 28.46 3mh1 h HIS 64 CO -0.00 1.11 -0.34 0.00 0.86 0.00 0.00 177.93 179.56 3mh1 h ALA 65 N 0.84 0.25 -0.10 2.45 0.00 -0.45 0.98 119.26 123.23 3mh1 h ALA 65 Ca 0.04 -0.43 -0.07 0.00 0.00 0.00 0.00 54.91 54.46 3mh1 h ALA 65 Cb 1.01 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 3mh1 h ALA 65 CO 0.10 0.31 -0.26 -0.22 0.00 0.00 0.00 179.25 179.18 3mh1 h LYS 66 N 0.14 0.18 0.10 0.00 3.64 -1.22 -1.59 116.57 117.81 3mh1 h LYS 66 Ca 0.00 -0.06 -0.27 0.00 -1.27 0.00 0.00 60.65 59.06 3mh1 h LYS 66 Cb 0.94 -0.02 0.01 0.00 -0.41 0.00 0.00 32.23 32.75 3mh1 h LYS 66 CO 0.07 0.43 -1.18 0.07 -2.27 0.00 0.00 179.45 176.57 3mh1 h ARG 67 N 0.16 0.39 -0.49 1.90 0.11 -1.01 0.11 114.38 115.55 3mh1 h ARG 67 Ca 0.03 -0.56 0.10 0.00 0.10 0.00 0.00 59.98 59.64 3mh1 h ARG 67 Cb 0.55 0.19 -0.09 0.00 1.11 0.00 0.00 29.97 31.73 3mh1 h ARG 67 CO 0.04 1.23 -0.14 1.15 0.10 0.00 0.00 179.97 182.35 3mh1 h THR 68 N 0.16 0.48 -0.05 0.08 2.02 -0.65 0.56 112.91 115.51 3mh1 h THR 68 Ca -0.14 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.04 3mh1 h THR 68 Cb 1.87 0.48 -0.00 0.00 -1.74 0.00 0.00 68.15 68.76 3mh1 h THR 68 CO 0.20 0.00 0.01 0.22 0.37 0.00 0.00 175.52 176.33 3mh1 h TYR 69 N -0.02 0.08 -0.54 3.16 5.03 -1.19 -0.42 116.97 123.06 3mh1 h TYR 69 Ca 0.24 -0.01 0.11 0.00 2.58 0.00 0.00 58.73 61.65 3mh1 h TYR 69 Cb 0.38 -0.02 -0.11 0.00 1.55 0.00 0.00 36.73 38.53 3mh1 h TYR 69 CO -0.43 0.26 -0.18 -0.09 -1.32 0.00 0.00 178.16 176.40 3mh1 h ARG 70 N -0.13 -0.05 -0.33 1.82 2.43 -0.58 -0.70 114.38 116.84 3mh1 h ARG 70 Ca 0.01 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.10 3mh1 h ARG 70 Cb 0.22 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 3mh1 h ARG 70 CO -0.00 -0.03 -0.18 1.49 -1.51 0.00 0.00 179.97 179.74 3mh1 h GLU 71 N -0.05 0.61 -0.12 0.20 4.57 -0.71 -0.27 114.58 118.81 3mh1 h GLU 71 Ca 0.26 -0.21 -0.03 0.00 -1.18 0.00 0.00 59.36 58.19 3mh1 h GLU 71 Cb 0.45 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 28.99 3mh1 h GLU 71 CO -0.58 0.76 -0.05 1.25 -1.18 0.00 0.00 179.01 179.21 3mh1 h LEU 72 N 0.55 0.25 -0.39 1.64 6.46 -0.43 -1.53 115.31 121.85 3mh1 h LEU 72 Ca 0.09 -0.41 0.08 0.00 -0.12 0.00 0.00 57.88 57.52 3mh1 h LEU 72 Cb 0.62 -0.07 -0.09 0.00 -0.73 0.00 0.00 40.66 40.39 3mh1 h LEU 72 CO 0.04 0.60 -0.29 0.03 -0.62 0.00 0.00 178.44 178.20 3mh1 h ARG 73 N -0.10 -0.22 -0.14 1.25 2.47 -1.01 0.05 114.38 116.67 3mh1 h ARG 73 Ca 0.03 0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.75 3mh1 h ARG 73 Cb 0.50 0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.87 3mh1 h ARG 73 CO 0.02 -0.15 0.03 -0.07 0.56 0.00 0.00 179.97 180.36 3mh1 h LEU 74 N -0.23 0.22 -0.72 3.04 3.38 -1.04 -1.71 115.31 118.24 3mh1 h LEU 74 Ca 0.18 -0.24 -0.13 0.00 0.09 0.00 0.00 57.88 57.78 3mh1 h LEU 74 Cb 0.52 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 3mh1 h LEU 74 CO -0.52 0.40 -0.41 -0.07 0.09 0.00 0.00 178.44 177.93 3mh1 h LEU 75 N 0.03 0.52 -1.67 1.67 3.38 -1.21 -1.33 115.31 116.70 3mh1 h LEU 75 Ca 0.04 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.75 3mh1 h LEU 75 Cb 0.27 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3mh1 h LEU 75 CO 0.00 0.88 -0.17 0.11 0.09 0.00 0.00 178.44 179.35 3mh1 h LYS 76 N 0.41 0.00 0.24 1.13 1.57 -0.87 -3.27 116.57 115.78 3mh1 h LYS 76 Ca 0.03 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.48 3mh1 h LYS 76 Cb 0.89 0.00 0.03 0.00 0.08 0.00 0.00 32.23 33.24 3mh1 h LYS 76 CO 0.08 0.17 -1.53 1.25 -0.57 0.00 0.00 179.45 178.84 3mh1 h HIS 77 N 0.00 0.91 -2.42 -1.35 2.76 -0.30 -3.45 115.15 111.30 3mh1 h HIS 77 Ca -0.00 -0.67 -0.57 0.00 -2.20 0.00 0.00 60.37 56.93 3mh1 h HIS 77 Cb 0.30 -0.04 -0.01 0.00 1.55 0.00 0.00 27.41 29.21 3mh1 h HIS 77 CO 0.00 1.59 1.32 -1.64 -1.30 0.00 0.00 177.93 177.90 3mh1 s MET 78 N -2.59 3.45 -0.41 5.26 -1.94 -0.86 -4.94 119.30 117.27 3mh1 s MET 78 Ca -0.11 1.83 0.02 0.00 -1.71 0.00 0.00 55.69 55.72 3mh1 s MET 78 Cb 0.04 -4.22 0.14 0.00 2.01 0.00 0.00 34.83 32.81 3mh1 s MET 78 CO 0.92 -1.72 0.26 0.15 -0.01 0.00 0.00 175.02 174.61 3mh1 s LYS 79 N 5.56 0.99 -0.28 2.03 1.02 -1.26 -4.46 119.74 123.34 3mh1 s LYS 79 Ca 0.86 -1.82 -0.22 0.00 0.02 0.00 0.00 55.97 54.82 3mh1 s LYS 79 Cb -0.29 -1.84 0.10 0.00 -0.52 0.00 0.00 37.83 35.28 3mh1 s LYS 79 CO 0.34 -1.22 0.84 -1.58 -0.92 0.00 0.00 175.35 172.81 3mh1 s HIS 80 N 0.51 -0.72 0.48 3.18 2.46 -1.26 -5.06 115.29 114.87 3mh1 s HIS 80 Ca 0.20 1.64 0.25 0.00 0.47 0.00 0.00 55.06 57.62 3mh1 s HIS 80 Cb -0.19 0.38 1.29 0.00 -0.13 0.00 0.00 32.58 33.93 3mh1 s HIS 80 CO -0.03 -0.35 1.87 0.93 -2.47 0.00 0.00 174.74 174.68 3mh1 h GLU 81 N 5.28 0.19 -0.56 2.88 5.08 -1.98 -2.03 114.58 123.44 3mh1 h GLU 81 Ca -0.29 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.01 3mh1 h GLU 81 Cb 1.18 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.36 3mh1 h GLU 81 CO 0.11 0.13 0.06 0.09 -1.00 0.00 0.00 179.01 178.39 3mh1 n ASN 82 N -4.40 5.25 -3.75 1.42 4.13 -1.26 -4.70 115.26 111.95 3mh1 n ASN 82 Ca 0.19 -3.03 -0.15 0.00 1.68 0.00 0.00 54.58 53.27 3mh1 n ASN 82 Cb 0.84 -0.68 -0.16 0.00 -1.54 0.00 0.00 39.78 38.24 3mh1 n ASN 82 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3mh1 s VAL 83 N -2.84 -0.07 0.06 2.41 1.01 -0.76 -0.97 120.40 119.23 3mh1 s VAL 83 Ca 0.53 0.24 -0.29 0.00 0.00 0.00 0.00 61.98 62.46 3mh1 s VAL 83 Cb 0.41 -0.13 -0.16 0.00 0.00 0.00 0.00 36.38 36.51 3mh1 s VAL 83 CO 0.14 0.10 0.72 0.00 0.00 0.00 0.00 175.10 176.06 3mh1 n ILE 84 N 4.37 0.58 -4.38 2.22 0.13 -0.65 -4.41 119.36 117.23 3mh1 n ILE 84 Ca -0.24 -0.15 -0.19 0.00 -1.10 0.00 0.00 62.75 61.07 3mh1 n ILE 84 Cb 0.50 0.00 -0.10 0.00 -0.84 0.00 0.00 39.64 39.21 3mh1 n ILE 84 CO 0.00 0.00 0.00 -0.83 2.80 0.00 0.00 176.55 178.52 3mh1 s GLY 85 N -0.29 2.01 -0.31 4.50 0.00 -1.26 -4.76 107.32 107.21 3mh1 s GLY 85 Ca 0.67 -1.79 -0.08 0.00 0.00 0.00 0.00 44.72 43.51 3mh1 s GLY 85 CO 0.46 -1.67 0.11 1.08 0.00 0.00 0.00 173.10 173.09 3mh1 s LEU 86 N -3.40 4.00 0.07 0.66 1.43 -1.23 -4.69 118.68 115.51 3mh1 s LEU 86 Ca 0.35 -0.67 -0.01 0.00 -1.03 0.00 0.00 54.13 52.77 3mh1 s LEU 86 Cb 0.07 -1.93 -0.26 0.00 0.03 0.00 0.00 46.19 44.09 3mh1 s LEU 86 CO 0.15 -0.21 1.10 -0.07 0.23 0.00 0.00 176.35 177.56 3mh1 h LEU 87 N 8.29 0.30 -7.00 1.79 4.07 -1.67 -3.41 115.31 117.67 3mh1 h LEU 87 Ca -0.31 -0.34 0.10 0.00 0.08 0.00 0.00 57.88 57.41 3mh1 h LEU 87 Cb 1.13 -0.10 -0.22 0.00 1.08 0.00 0.00 40.66 42.55 3mh1 h LEU 87 CO 0.61 1.27 0.57 -0.62 -1.08 0.00 0.00 178.44 179.19 3mh1 s ASP 88 N -6.97 -0.35 -0.01 -0.43 3.68 -1.09 -4.56 116.67 106.96 3mh1 s ASP 88 Ca -0.04 0.34 0.02 0.00 2.13 0.00 0.00 52.55 55.00 3mh1 s ASP 88 Cb 0.08 0.29 -0.00 0.00 -1.45 0.00 0.00 42.92 41.84 3mh1 s ASP 88 CO 0.86 -0.35 -0.05 0.54 0.13 0.00 0.00 175.17 176.30 3mh1 s VAL 89 N -1.33 0.44 0.18 1.11 0.11 -1.26 -0.05 120.40 119.60 3mh1 s VAL 89 Ca -0.00 -0.22 -0.14 0.00 -2.93 0.00 0.00 61.98 58.69 3mh1 s VAL 89 Cb -0.01 -0.38 0.01 0.00 -1.53 0.00 0.00 36.38 34.48 3mh1 s VAL 89 CO -0.00 0.13 0.42 0.72 -3.33 0.00 0.00 175.10 173.04 3mh1 s PHE 90 N -0.05 0.10 0.00 1.54 -0.12 -0.68 -4.98 117.98 113.79 3mh1 s PHE 90 Ca 0.01 -0.45 -0.00 0.00 -0.05 0.00 0.00 56.93 56.43 3mh1 s PHE 90 Cb -0.03 0.20 -0.01 0.00 -0.63 0.00 0.00 43.02 42.56 3mh1 s PHE 90 CO -0.00 -0.84 -0.00 -0.08 -0.05 0.00 0.00 175.22 174.25 3mh1 s THR 91 N -3.91 0.04 0.18 -4.49 -1.32 -1.26 -0.88 115.64 103.99 3mh1 s THR 91 Ca 0.12 -0.30 0.35 0.00 -1.21 0.00 0.00 61.69 60.66 3mh1 s THR 91 Cb 0.01 -0.10 0.40 0.00 -1.51 0.00 0.00 72.50 71.30 3mh1 s THR 91 CO -0.02 -0.17 2.04 -0.65 -2.21 0.00 0.00 174.62 173.62 3mh1 h PRO 92 N 5.63 0.00 -6.98 7.08 0.11 -1.84 -3.45 132.00 132.56 3mh1 h PRO 92 Ca -0.27 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.30 3mh1 h PRO 92 Cb 1.21 0.00 0.11 0.00 0.11 0.00 0.00 31.00 32.43 3mh1 h PRO 92 CO 0.47 0.00 0.72 0.00 -0.21 0.00 0.00 178.00 178.98 3mh1 s ALA 93 N -3.74 3.33 -0.57 -0.75 0.00 -1.26 -4.99 121.76 113.79 3mh1 s ALA 93 Ca 0.00 1.49 0.04 0.00 0.00 0.00 0.00 51.96 53.49 3mh1 s ALA 93 Cb 0.10 -3.59 0.16 0.00 0.00 0.00 0.00 23.12 19.78 3mh1 s ALA 93 CO 0.52 -1.15 0.38 -0.98 0.00 0.00 0.00 175.76 174.53 3mh1 s ARG 94 N -2.35 1.83 0.00 0.00 1.70 -1.26 -4.98 118.95 113.89 3mh1 s ARG 94 Ca 0.59 -2.72 0.00 0.00 -0.47 0.00 0.00 55.73 53.13 3mh1 s ARG 94 Cb -0.44 -2.77 0.00 0.00 -0.57 0.00 0.00 34.95 31.17 3mh1 s ARG 94 CO 0.58 -1.26 0.00 -1.13 -1.08 0.00 0.00 175.30 172.41 3mh1 n SER 95 N 2.63 0.00 0.26 -2.89 3.41 -1.26 -4.83 113.62 110.93 3mh1 n SER 95 Ca 0.18 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.88 3mh1 n SER 95 Cb 0.37 0.00 0.67 0.00 -0.26 0.00 0.00 64.21 64.99 3mh1 n SER 95 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3mh1 h LEU 96 N 0.00 0.00 -0.90 1.04 5.85 -1.97 -2.41 115.31 116.92 3mh1 h LEU 96 Ca 0.00 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.63 3mh1 h LEU 96 Cb 0.00 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 3mh1 h LEU 96 CO 0.00 0.06 -0.17 -0.33 -0.34 0.00 0.00 178.44 177.66 3mh1 h GLU 97 N 0.00 0.62 -0.00 1.25 5.08 -2.02 -2.63 114.58 116.89 3mh1 h GLU 97 Ca -0.00 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 3mh1 h GLU 97 Cb 0.11 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.31 3mh1 h GLU 97 CO 0.01 0.76 -0.18 0.39 -1.00 0.00 0.00 179.01 178.99 3mh1 n GLU 98 N -4.15 0.54 -2.30 2.33 1.02 -0.92 -4.93 120.64 112.23 3mh1 n GLU 98 Ca 0.01 -0.22 -0.43 0.00 -0.02 0.00 0.00 57.16 56.50 3mh1 n GLU 98 Cb 0.38 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.28 3mh1 n GLU 98 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 3mh1 s PHE 99 N -2.61 2.28 0.00 -0.32 5.36 -0.99 -4.73 117.98 116.97 3mh1 s PHE 99 Ca 0.24 0.64 0.00 0.00 -0.96 0.00 0.00 56.93 56.85 3mh1 s PHE 99 Cb 0.19 -4.29 0.00 0.00 -0.34 0.00 0.00 43.02 38.58 3mh1 s PHE 99 CO 0.52 -2.13 0.00 0.09 -1.46 0.00 0.00 175.22 172.24 3mh1 n ASN 100 N 9.23 2.08 -4.58 6.13 3.02 -1.26 -5.06 115.26 124.82 3mh1 n ASN 100 Ca 0.17 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.44 3mh1 n ASN 100 Cb 0.48 0.20 -0.09 0.00 -0.61 0.00 0.00 39.78 39.76 3mh1 n ASN 100 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3mh1 s ASP 101 N -1.93 4.37 -0.04 6.41 1.01 -1.26 -4.63 116.67 120.60 3mh1 s ASP 101 Ca 0.00 -0.46 -0.00 0.00 0.71 0.00 0.00 52.55 52.79 3mh1 s ASP 101 Cb 0.00 -0.81 0.03 0.00 1.01 0.00 0.00 42.92 43.15 3mh1 s ASP 101 CO 0.00 0.14 0.00 -0.69 0.21 0.00 0.00 175.17 174.83 3mh1 s VAL 102 N -1.45 0.23 -0.06 -1.27 1.01 -1.26 -4.54 120.40 113.05 3mh1 s VAL 102 Ca 0.23 0.11 0.04 0.00 0.00 0.00 0.00 61.98 62.36 3mh1 s VAL 102 Cb -0.10 -0.35 -0.02 0.00 0.00 0.00 0.00 36.38 35.91 3mh1 s VAL 102 CO 0.15 0.18 -0.20 -0.31 0.00 0.00 0.00 175.10 174.92 3mh1 s TYR 103 N 1.35 2.57 -0.04 5.22 1.51 -0.06 -0.72 117.35 127.18 3mh1 s TYR 103 Ca -0.05 -0.51 0.07 0.00 -1.01 0.00 0.00 57.07 55.56 3mh1 s TYR 103 Cb -0.13 -1.64 -0.01 0.00 -0.11 0.00 0.00 41.96 40.06 3mh1 s TYR 103 CO -0.02 -0.08 -0.25 -0.51 -1.11 0.00 0.00 175.55 173.58 3mh1 s LEU 104 N -0.29 2.05 -0.09 -1.29 1.43 0.11 -1.68 118.68 118.92 3mh1 s LEU 104 Ca 0.01 -0.49 0.04 0.00 -1.03 0.00 0.00 54.13 52.66 3mh1 s LEU 104 Cb -0.13 -1.33 -0.00 0.00 0.03 0.00 0.00 46.19 44.76 3mh1 s LEU 104 CO 0.03 0.26 -0.23 -0.69 0.23 0.00 0.00 176.35 175.94 3mh1 s VAL 105 N -0.29 2.00 0.30 -1.59 1.01 0.92 0.91 120.40 123.67 3mh1 s VAL 105 Ca 0.01 -0.99 0.03 0.00 0.00 0.00 0.00 61.98 61.03 3mh1 s VAL 105 Cb -0.12 -1.73 -0.03 0.00 0.00 0.00 0.00 36.38 34.50 3mh1 s VAL 105 CO 0.02 0.55 0.29 0.42 0.00 0.00 0.00 175.10 176.38 3mh1 s THR 106 N 0.32 0.00 0.44 3.92 -4.23 -0.25 -1.60 115.64 114.23 3mh1 s THR 106 Ca -0.17 -1.91 -0.25 0.00 -1.18 0.00 0.00 61.69 58.18 3mh1 s THR 106 Cb -0.17 -2.52 -0.08 0.00 1.34 0.00 0.00 72.50 71.07 3mh1 s THR 106 CO 0.08 0.00 1.36 -1.00 -0.54 0.00 0.00 174.62 174.52 3mh1 s HIS 107 N -3.53 2.60 0.16 3.99 3.76 -1.26 -1.05 115.29 119.96 3mh1 s HIS 107 Ca 0.38 1.34 -0.30 0.00 -0.15 0.00 0.00 55.06 56.33 3mh1 s HIS 107 Cb 0.03 -3.79 -0.08 0.00 1.11 0.00 0.00 32.58 29.85 3mh1 s HIS 107 CO 0.23 -2.53 1.25 -1.17 -0.85 0.00 0.00 174.74 171.67 3mh1 s LEU 108 N -2.69 4.42 -0.13 0.89 2.96 -1.25 -4.27 118.68 118.61 3mh1 s LEU 108 Ca 0.60 2.26 -0.10 0.00 -0.22 0.00 0.00 54.13 56.67 3mh1 s LEU 108 Cb -0.40 -3.60 -0.06 0.00 0.50 0.00 0.00 46.19 42.63 3mh1 s LEU 108 CO 0.52 -0.47 -0.22 0.23 -1.32 0.00 0.00 176.35 175.09 3mh1 n MET 109 N 2.94 0.35 0.00 1.98 2.81 -1.26 -4.94 117.12 119.00 3mh1 n MET 109 Ca 0.06 0.15 0.00 0.00 -1.81 0.00 0.00 57.70 56.10 3mh1 n MET 109 Cb 0.44 -1.10 0.00 0.00 -0.71 0.00 0.00 33.22 31.85 3mh1 n MET 109 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3mh1 n GLY 110 N 2.07 2.32 3.22 3.03 0.00 -1.26 -4.75 105.19 109.82 3mh1 n GLY 110 Ca -0.22 -0.49 -0.22 0.00 0.00 0.00 0.00 46.02 45.10 3mh1 n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mh1 s ALA 111 N 0.00 1.50 0.41 4.61 0.00 -1.26 -5.09 121.76 121.93 3mh1 s ALA 111 Ca 0.00 -1.06 0.08 0.00 0.00 0.00 0.00 51.96 50.98 3mh1 s ALA 111 Cb 0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 23.12 22.90 3mh1 s ALA 111 CO 0.00 0.29 0.46 0.16 0.00 0.00 0.00 175.76 176.67 3mh1 s ASP 112 N -1.56 5.37 0.52 0.00 3.84 -1.26 -1.06 116.67 122.53 3mh1 s ASP 112 Ca 0.03 -0.56 0.19 0.00 -0.00 0.00 0.00 52.55 52.21 3mh1 s ASP 112 Cb -0.09 -0.67 1.32 0.00 -1.38 0.00 0.00 42.92 42.10 3mh1 s ASP 112 CO 0.03 -0.67 2.10 0.25 -0.00 0.00 0.00 175.17 176.88 3mh1 h LEU 113 N 0.87 0.00 -0.27 2.11 5.85 -0.44 -1.47 115.31 121.95 3mh1 h LEU 113 Ca -0.41 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.27 3mh1 h LEU 113 Cb 1.27 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.29 3mh1 h LEU 113 CO 0.52 0.00 0.02 -1.13 -0.34 0.00 0.00 178.44 177.51 3mh1 h ASN 114 N 0.00 0.45 -0.99 1.25 -0.00 -1.84 -2.12 115.58 112.33 3mh1 h ASN 114 Ca 0.08 -0.29 0.18 0.00 -0.00 0.00 0.00 56.30 56.28 3mh1 h ASN 114 Cb 0.34 -0.12 -0.10 0.00 -0.00 0.00 0.00 38.32 38.44 3mh1 h ASN 114 CO -0.00 0.63 0.61 0.78 -0.00 0.00 0.00 177.43 179.45 3mh1 h ASN 115 N 0.27 0.74 0.32 1.15 2.35 -1.62 -2.75 115.58 116.03 3mh1 h ASN 115 Ca 0.08 0.08 -0.02 0.00 -0.55 0.00 0.00 56.30 55.90 3mh1 h ASN 115 Cb 0.38 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.70 3mh1 h ASN 115 CO 0.01 0.28 -0.15 0.40 -1.65 0.00 0.00 177.43 176.32 3mh1 h ILE 116 N 0.74 0.38 -0.21 2.81 1.08 -1.32 -3.32 117.51 117.66 3mh1 h ILE 116 Ca 0.55 -0.78 0.06 0.00 -0.39 0.00 0.00 64.86 64.30 3mh1 h ILE 116 Cb 0.90 0.61 -0.01 0.00 -3.07 0.00 0.00 36.82 35.25 3mh1 h ILE 116 CO -0.33 0.09 0.21 0.58 -0.69 0.00 0.00 178.15 178.01 3mh1 h VAL 117 N -1.01 0.51 0.06 1.67 2.07 -1.35 -3.10 116.25 115.10 3mh1 h VAL 117 Ca -0.04 0.00 -0.26 0.00 0.82 0.00 0.00 66.70 67.22 3mh1 h VAL 117 Cb 0.48 0.83 0.01 0.00 -1.52 0.00 0.00 31.29 31.09 3mh1 h VAL 117 CO 0.07 0.00 -1.09 0.11 0.02 0.00 0.00 177.57 176.68 3mh1 h LYS 118 N 0.00 0.46 0.00 1.57 1.57 -1.58 -3.38 116.57 115.21 3mh1 h LYS 118 Ca 0.10 -0.57 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 3mh1 h LYS 118 Cb 0.53 0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.02 3mh1 h LYS 118 CO -0.00 1.22 0.00 0.00 -0.57 0.00 0.00 179.45 180.10 3mh1 s GLN 120 N -0.47 -2.44 -0.24 0.00 -0.21 -1.18 -5.06 119.66 110.06 3mh1 s GLN 120 Ca 0.00 0.03 0.02 0.00 0.02 0.00 0.00 55.36 55.44 3mh1 s GLN 120 Cb 0.00 -1.44 0.05 0.00 1.00 0.00 0.00 33.01 32.62 3mh1 s GLN 120 CO 0.00 -4.53 -0.12 0.21 -2.12 0.00 0.00 175.29 168.74 3mh1 s LYS 121 N -5.22 2.26 0.11 2.91 2.47 -1.26 -4.84 119.74 116.17 3mh1 s LYS 121 Ca 0.70 -1.21 -0.31 0.00 -1.56 0.00 0.00 55.97 53.58 3mh1 s LYS 121 Cb -0.11 -2.79 -0.08 0.00 -1.46 0.00 0.00 37.83 33.39 3mh1 s LYS 121 CO 0.57 -0.52 1.38 -0.51 0.16 0.00 0.00 175.35 176.43 3mh1 s LEU 122 N 1.17 4.37 0.76 5.43 1.43 -1.26 -5.00 118.68 125.58 3mh1 s LEU 122 Ca -0.06 2.30 -0.11 0.00 -1.03 0.00 0.00 54.13 55.23 3mh1 s LEU 122 Cb -0.19 -3.59 0.05 0.00 0.03 0.00 0.00 46.19 42.50 3mh1 s LEU 122 CO -0.06 -0.64 1.09 0.42 0.23 0.00 0.00 176.35 177.38 3mh1 s THR 123 N 1.10 3.33 0.36 5.49 -4.23 -1.26 -4.87 115.64 115.56 3mh1 s THR 123 Ca 0.64 0.43 0.08 0.00 -1.18 0.00 0.00 61.69 61.67 3mh1 s THR 123 Cb -0.36 -3.21 0.13 0.00 1.34 0.00 0.00 72.50 70.40 3mh1 s THR 123 CO 0.30 -0.56 1.86 -0.78 -0.54 0.00 0.00 174.62 174.89 3mh1 h ASP 124 N -0.96 0.25 -0.62 3.99 3.58 -1.97 -1.98 116.42 118.71 3mh1 h ASP 124 Ca -0.46 -0.06 -0.05 0.00 0.42 0.00 0.00 57.03 56.88 3mh1 h ASP 124 Cb 1.25 -0.07 -0.03 0.00 1.72 0.00 0.00 39.33 42.21 3mh1 h ASP 124 CO 0.59 0.46 0.20 -0.78 -2.88 0.00 0.00 179.24 176.83 3mh1 h ASP 125 N 0.24 0.89 -0.29 2.28 -0.00 -2.00 -1.92 116.42 115.62 3mh1 h ASP 125 Ca 0.04 -0.20 -0.01 0.00 -0.00 0.00 0.00 57.03 56.86 3mh1 h ASP 125 Cb 0.49 -0.23 -0.01 0.00 -0.00 0.00 0.00 39.33 39.57 3mh1 h ASP 125 CO 0.03 0.86 0.16 0.45 -0.00 0.00 0.00 179.24 180.74 3mh1 h HIS 126 N 0.88 0.40 -0.91 0.28 3.86 -1.76 -2.69 115.15 115.22 3mh1 h HIS 126 Ca 0.20 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.40 3mh1 h HIS 126 Cb 0.28 -0.13 -0.04 0.00 1.06 0.00 0.00 27.41 28.58 3mh1 h HIS 126 CO 0.02 0.33 0.57 -0.39 0.86 0.00 0.00 177.93 179.32 3mh1 h VAL 127 N 0.35 1.24 -0.69 2.45 -1.51 -1.30 -0.53 116.25 116.27 3mh1 h VAL 127 Ca 0.10 -0.50 0.04 0.00 -1.23 0.00 0.00 66.70 65.11 3mh1 h VAL 127 Cb 0.06 -0.06 -0.05 0.00 -2.13 0.00 0.00 31.29 29.11 3mh1 h VAL 127 CO -0.02 0.25 0.42 1.56 -1.23 0.00 0.00 177.57 178.55 3mh1 h GLN 128 N 1.25 0.79 0.23 5.19 4.20 -1.26 -0.98 115.11 124.52 3mh1 h GLN 128 Ca 0.33 -0.05 -0.30 0.00 0.06 0.00 0.00 58.65 58.69 3mh1 h GLN 128 Cb -0.09 -0.18 0.03 0.00 0.30 0.00 0.00 27.48 27.55 3mh1 h GLN 128 CO -0.07 0.52 -1.34 0.35 -0.67 0.00 0.00 178.83 177.63 3mh1 h PHE 129 N 0.81 0.88 0.33 2.96 3.57 -1.03 -1.43 116.94 123.04 3mh1 h PHE 129 Ca 0.28 -0.65 -0.02 0.00 3.53 0.00 0.00 57.97 61.12 3mh1 h PHE 129 Cb 0.05 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 38.76 3mh1 h PHE 129 CO -0.05 1.51 -0.16 -0.07 -2.23 0.00 0.00 178.31 177.31 3mh1 h LEU 130 N 0.02 -0.37 -0.55 0.59 -0.00 -1.10 -0.69 115.31 113.21 3mh1 h LEU 130 Ca -0.23 -0.02 -0.00 0.00 -0.00 0.00 0.00 57.88 57.62 3mh1 h LEU 130 Cb 2.05 0.10 -0.03 0.00 -0.00 0.00 0.00 40.66 42.78 3mh1 h LEU 130 CO 0.25 -0.22 0.32 0.40 -0.00 0.00 0.00 178.44 179.19 3mh1 h ILE 131 N -0.50 1.17 -0.36 1.22 1.08 -1.29 -0.48 117.51 118.35 3mh1 h ILE 131 Ca -0.05 -0.38 0.08 0.00 -0.39 0.00 0.00 64.86 64.12 3mh1 h ILE 131 Cb 0.38 0.44 -0.08 0.00 -3.07 0.00 0.00 36.82 34.48 3mh1 h ILE 131 CO 0.07 0.17 -0.16 0.22 -0.69 0.00 0.00 178.15 177.76 3mh1 h TYR 132 N 0.73 -0.40 -0.28 1.37 3.20 -1.21 -0.35 116.97 120.02 3mh1 h TYR 132 Ca 0.20 0.04 -0.06 0.00 3.14 0.00 0.00 58.73 62.05 3mh1 h TYR 132 Cb -0.00 0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.48 3mh1 h TYR 132 CO -0.02 -0.24 -0.08 1.96 -1.64 0.00 0.00 178.16 178.14 3mh1 h GLN 133 N -0.10 0.46 -0.14 1.82 4.20 -0.27 -0.13 115.11 120.95 3mh1 h GLN 133 Ca 0.18 -0.11 -0.00 0.00 0.06 0.00 0.00 58.65 58.77 3mh1 h GLN 133 Cb 0.38 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 3mh1 h GLN 133 CO -0.43 0.55 0.07 0.82 -0.67 0.00 0.00 178.83 179.17 3mh1 h ILE 134 N 0.43 1.11 -0.30 2.54 2.04 -0.23 -2.47 117.51 120.64 3mh1 h ILE 134 Ca 0.09 -0.33 -0.10 0.00 1.00 0.00 0.00 64.86 65.52 3mh1 h ILE 134 Cb 0.41 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 3mh1 h ILE 134 CO 0.02 0.10 -0.22 -0.07 0.00 0.00 0.00 178.15 177.99 3mh1 h LEU 135 N 0.10 0.57 -0.01 1.44 3.38 -0.66 0.89 115.31 121.02 3mh1 h LEU 135 Ca 0.05 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 3mh1 h LEU 135 Cb 0.11 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 3mh1 h LEU 135 CO -0.01 0.79 0.00 -0.09 0.09 0.00 0.00 178.44 179.22 3mh1 h ARG 136 N 0.50 0.02 -0.53 1.13 2.43 -0.97 0.06 114.38 117.03 3mh1 h ARG 136 Ca 0.08 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.21 3mh1 h ARG 136 Cb 0.65 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.18 3mh1 h ARG 136 CO 0.05 0.22 0.19 0.78 -1.51 0.00 0.00 179.97 179.69 3mh1 h GLY 137 N -0.18 0.83 1.40 2.80 0.00 -1.22 -2.75 103.07 103.95 3mh1 h GLY 137 Ca 0.00 -0.43 -0.13 0.00 0.00 0.00 0.00 47.33 46.77 3mh1 h GLY 137 CO -0.00 0.41 -0.37 -2.00 0.00 0.00 0.00 176.54 174.58 3mh1 h LEU 138 N 0.77 0.70 -0.50 3.11 5.85 -0.58 0.01 115.31 124.66 3mh1 h LEU 138 Ca 0.18 -0.30 0.05 0.00 0.84 0.00 0.00 57.88 58.65 3mh1 h LEU 138 Cb 0.19 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 40.97 3mh1 h LEU 138 CO -0.01 1.00 0.23 0.50 -0.34 0.00 0.00 178.44 179.82 3mh1 h LYS 139 N 0.56 0.44 0.21 1.25 3.64 -0.78 0.32 116.57 122.20 3mh1 h LYS 139 Ca 0.05 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 3mh1 h LYS 139 Cb 0.89 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.61 3mh1 h LYS 139 CO 0.08 0.29 -0.10 -0.92 -2.27 0.00 0.00 179.45 176.52 3mh1 h TYR 140 N 0.45 -0.27 -0.14 1.91 3.20 -1.19 -1.14 116.97 119.79 3mh1 h TYR 140 Ca 0.23 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.12 3mh1 h TYR 140 Cb 0.18 0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.51 3mh1 h TYR 140 CO -0.12 -0.15 -0.04 0.82 -1.64 0.00 0.00 178.16 177.03 3mh1 h ILE 141 N -0.31 0.84 -0.11 1.81 2.04 -0.76 -2.28 117.51 118.74 3mh1 h ILE 141 Ca -0.03 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 3mh1 h ILE 141 Cb 0.24 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 3mh1 h ILE 141 CO 0.05 0.00 0.02 0.45 0.00 0.00 0.00 178.15 178.67 3mh1 h HIS 142 N -0.02 0.15 0.00 1.37 3.86 -0.29 -1.56 115.15 118.66 3mh1 h HIS 142 Ca 0.07 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 3mh1 h HIS 142 Cb 0.12 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.54 3mh1 h HIS 142 CO -0.18 0.15 0.00 -1.13 0.86 0.00 0.00 177.93 177.62 3mh1 n SER 143 N -4.46 0.05 -0.20 2.45 3.41 -0.44 -1.61 113.62 112.82 3mh1 n SER 143 Ca -0.01 0.51 0.14 0.00 -0.26 0.00 0.00 58.87 59.24 3mh1 n SER 143 Cb 0.13 -0.52 0.57 0.00 -0.26 0.00 0.00 64.21 64.13 3mh1 n SER 143 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mh1 n ALA 144 N -1.52 2.79 -1.64 7.33 0.00 -0.60 -4.63 120.51 122.25 3mh1 n ALA 144 Ca 0.06 -0.32 -0.10 0.00 0.00 0.00 0.00 53.44 53.07 3mh1 n ALA 144 Cb 0.30 -1.27 -0.03 0.00 0.00 0.00 0.00 19.45 18.44 3mh1 n ALA 144 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3mh1 n ASP 145 N -0.68 -3.94 -4.80 0.00 -0.08 -0.63 -3.34 116.55 103.08 3mh1 n ASP 145 Ca 0.16 0.16 -0.36 0.00 -1.51 0.00 0.00 54.79 53.23 3mh1 n ASP 145 Cb 0.29 -2.67 -0.07 0.00 2.34 0.00 0.00 41.12 41.02 3mh1 n ASP 145 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 3mh1 s ILE 146 N -2.43 5.41 -0.17 5.18 1.01 -1.17 -5.05 121.20 123.97 3mh1 s ILE 146 Ca 0.00 0.29 -0.08 0.00 0.00 0.00 0.00 60.65 60.86 3mh1 s ILE 146 Cb 0.00 -3.48 -0.04 0.00 0.01 0.00 0.00 42.46 38.95 3mh1 s ILE 146 CO 0.00 0.52 0.09 -0.63 0.00 0.00 0.00 174.94 174.91 3mh1 s ILE 147 N -0.31 5.01 -0.08 2.92 1.01 -1.26 -3.80 121.20 124.68 3mh1 s ILE 147 Ca 0.13 0.04 -0.25 0.00 0.00 0.00 0.00 60.65 60.57 3mh1 s ILE 147 Cb -0.12 -3.25 -0.21 0.00 0.01 0.00 0.00 42.46 38.89 3mh1 s ILE 147 CO 0.02 0.48 0.92 -0.74 0.00 0.00 0.00 174.94 175.63 3mh1 h HIS 148 N 6.38 -0.04 0.00 3.97 -0.00 -1.96 -3.47 115.15 120.03 3mh1 h HIS 148 Ca -0.41 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.96 3mh1 h HIS 148 Cb 1.17 0.01 0.00 0.00 -0.00 0.00 0.00 27.41 28.59 3mh1 h HIS 148 CO 0.59 0.64 0.00 0.54 -0.00 0.00 0.00 177.93 179.71 3mh1 n ARG 149 N -4.76 0.00 -2.80 5.26 1.74 -1.26 -4.80 116.66 110.05 3mh1 n ARG 149 Ca -0.09 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.88 3mh1 n ARG 149 Cb 0.34 -1.26 0.02 0.00 -1.02 0.00 0.00 32.46 30.54 3mh1 n ARG 149 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3mh1 n ASP 150 N 0.00 0.98 -4.69 0.55 4.64 -1.26 -5.04 116.55 111.74 3mh1 n ASP 150 Ca 0.00 -2.79 -0.42 0.00 -1.38 0.00 0.00 54.79 50.19 3mh1 n ASP 150 Cb 0.00 -0.40 -0.03 0.00 -1.04 0.00 0.00 41.12 39.66 3mh1 n ASP 150 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 3mh1 s LEU 151 N -2.93 4.26 0.16 -2.67 1.43 -1.26 -4.78 118.68 112.89 3mh1 s LEU 151 Ca 0.30 1.62 -0.24 0.00 -1.03 0.00 0.00 54.13 54.78 3mh1 s LEU 151 Cb 0.42 -3.56 0.06 0.00 0.03 0.00 0.00 46.19 43.15 3mh1 s LEU 151 CO -0.00 -0.48 0.75 -1.59 0.23 0.00 0.00 176.35 175.26 3mh1 s LYS 152 N 2.00 1.33 0.37 1.70 -2.85 -1.26 -4.83 119.74 116.20 3mh1 s LYS 152 Ca 0.51 -0.62 0.14 0.00 -1.00 0.00 0.00 55.97 54.99 3mh1 s LYS 152 Cb -0.20 0.53 0.97 0.00 -2.06 0.00 0.00 37.83 37.06 3mh1 s LYS 152 CO 0.20 -0.59 1.80 -1.35 0.10 0.00 0.00 175.35 175.50 3mh1 h PRO 153 N 2.00 0.51 0.00 1.78 0.11 -1.94 0.83 132.00 135.30 3mh1 h PRO 153 Ca -0.26 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.82 3mh1 h PRO 153 Cb 1.27 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3mh1 h PRO 153 CO 0.30 0.34 0.00 -1.13 -0.21 0.00 0.00 178.00 177.30 3mh1 n SER 154 N -4.64 0.07 -2.01 -2.05 3.41 -1.26 -2.50 113.62 104.64 3mh1 n SER 154 Ca 0.23 0.51 -0.05 0.00 -0.26 0.00 0.00 58.87 59.30 3mh1 n SER 154 Cb 0.71 -0.53 0.32 0.00 -0.26 0.00 0.00 64.21 64.45 3mh1 n SER 154 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3mh1 n ASN 155 N -1.57 4.97 -3.83 4.04 5.03 0.29 -4.00 115.26 120.18 3mh1 n ASN 155 Ca 0.07 -3.17 -0.27 0.00 0.87 0.00 0.00 54.58 52.08 3mh1 n ASN 155 Cb 0.33 -0.74 -0.17 0.00 -1.02 0.00 0.00 39.78 38.18 3mh1 n ASN 155 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3mh1 s LEU 156 N -2.92 1.26 0.09 3.41 1.43 -1.06 -0.91 118.68 119.97 3mh1 s LEU 156 Ca 0.55 -0.54 -0.21 0.00 -1.03 0.00 0.00 54.13 52.89 3mh1 s LEU 156 Cb 0.43 -0.74 -0.07 0.00 0.03 0.00 0.00 46.19 45.85 3mh1 s LEU 156 CO 0.14 -0.21 0.64 0.00 0.23 0.00 0.00 176.35 177.15 3mh1 s ALA 157 N 1.76 3.53 -0.05 4.21 0.00 0.15 -0.44 121.76 130.91 3mh1 s ALA 157 Ca 0.02 0.14 -0.02 0.00 0.00 0.00 0.00 51.96 52.09 3mh1 s ALA 157 Cb -0.15 -2.75 0.03 0.00 0.00 0.00 0.00 23.12 20.25 3mh1 s ALA 157 CO -0.07 0.32 0.04 0.08 0.00 0.00 0.00 175.76 176.13 3mh1 s VAL 158 N -0.94 0.07 0.77 0.00 1.01 -0.22 -0.59 120.40 120.51 3mh1 s VAL 158 Ca 0.32 0.31 -0.05 0.00 0.00 0.00 0.00 61.98 62.56 3mh1 s VAL 158 Cb -0.20 -0.29 0.14 0.00 0.00 0.00 0.00 36.38 36.02 3mh1 s VAL 158 CO 0.21 0.21 1.07 0.54 0.00 0.00 0.00 175.10 177.13 3mh1 s ASN 159 N 2.09 4.11 0.60 3.32 2.20 -0.72 -4.19 114.94 122.35 3mh1 s ASN 159 Ca 0.05 -0.13 0.30 0.00 -0.94 0.00 0.00 52.86 52.14 3mh1 s ASN 159 Cb -0.12 -0.21 1.65 0.00 -2.00 0.00 0.00 41.25 40.57 3mh1 s ASN 159 CO -0.04 -2.03 2.04 1.05 -2.94 0.00 0.00 177.10 175.18 3mh1 h GLU 160 N -0.79 0.00 -0.39 3.55 4.11 -1.92 0.10 114.58 119.25 3mh1 h GLU 160 Ca -0.39 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.04 3mh1 h GLU 160 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 3mh1 h GLU 160 CO 0.42 0.00 0.00 -3.47 0.07 0.00 0.00 179.01 176.03 3mh1 n ASP 161 N -3.63 1.53 -2.23 3.06 4.64 -1.26 -4.91 116.55 113.75 3mh1 n ASP 161 Ca 0.03 -2.07 -0.11 0.00 -1.38 0.00 0.00 54.79 51.25 3mh1 n ASP 161 Cb 0.40 -0.25 -0.01 0.00 -1.04 0.00 0.00 41.12 40.22 3mh1 n ASP 161 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3mh1 s GLU 163 N -4.63 4.61 0.02 0.00 2.02 -1.26 -4.77 118.70 114.69 3mh1 s GLU 163 Ca 0.00 1.21 0.08 0.00 0.02 0.00 0.00 54.97 56.28 3mh1 s GLU 163 Cb 0.00 -3.28 -0.02 0.00 0.10 0.00 0.00 34.13 30.93 3mh1 s GLU 163 CO 0.00 0.52 -0.25 -1.17 0.02 0.00 0.00 175.26 174.38 3mh1 s LEU 164 N -0.98 2.11 -0.02 1.80 0.20 -1.26 -1.75 118.68 118.79 3mh1 s LEU 164 Ca 0.37 -0.51 0.04 0.00 0.69 0.00 0.00 54.13 54.72 3mh1 s LEU 164 Cb -0.23 -1.23 -0.00 0.00 -0.43 0.00 0.00 46.19 44.29 3mh1 s LEU 164 CO 0.27 0.27 -0.13 -0.54 -0.29 0.00 0.00 176.35 175.92 3mh1 s LYS 165 N -0.92 1.24 0.04 1.98 1.02 0.24 -4.28 119.74 119.05 3mh1 s LYS 165 Ca 0.10 -0.47 -0.30 0.00 0.02 0.00 0.00 55.97 55.32 3mh1 s LYS 165 Cb -0.10 -1.15 -0.05 0.00 -0.52 0.00 0.00 37.83 36.01 3mh1 s LYS 165 CO 0.01 0.23 1.24 0.42 -0.92 0.00 0.00 175.35 176.33 3mh1 s ILE 166 N -0.09 3.96 0.05 2.17 1.01 -0.14 -0.68 121.20 127.48 3mh1 s ILE 166 Ca 0.01 1.38 -0.02 0.00 0.00 0.00 0.00 60.65 62.02 3mh1 s ILE 166 Cb -0.08 -3.89 -0.04 0.00 0.01 0.00 0.00 42.46 38.46 3mh1 s ILE 166 CO 0.00 0.07 0.23 -0.76 0.00 0.00 0.00 174.94 174.48 3mh1 s LEU 167 N 1.47 4.35 0.56 2.97 1.02 -0.09 -1.63 118.68 127.34 3mh1 s LEU 167 Ca 0.59 0.35 0.27 0.00 0.02 0.00 0.00 54.13 55.37 3mh1 s LEU 167 Cb -0.29 -2.88 1.65 0.00 0.02 0.00 0.00 46.19 44.69 3mh1 s LEU 167 CO 0.27 0.19 2.20 -2.24 0.02 0.00 0.00 176.35 176.79 3mh1 h ASP 168 N 3.33 0.00 0.00 2.29 -0.00 -1.95 -3.47 116.42 116.62 3mh1 h ASP 168 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.56 3mh1 h ASP 168 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.50 3mh1 h ASP 168 CO 0.73 0.03 0.00 0.61 -0.00 0.00 0.00 179.24 180.61 3mh1 n GLY 169 N -1.20 0.67 3.77 7.15 0.00 -1.26 -5.12 105.19 109.20 3mh1 n GLY 169 Ca -0.03 -0.76 -0.41 0.00 0.00 0.00 0.00 46.02 44.82 3mh1 n GLY 169 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mh1 n GLY 170 N -0.10 1.22 0.37 -0.02 0.00 -1.26 -4.76 105.19 100.65 3mh1 n GLY 170 Ca 0.00 0.34 0.20 0.00 0.00 0.00 0.00 46.02 46.56 3mh1 n GLY 170 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3mh1 h LEU 171 N 3.32 0.57 -0.07 0.99 4.07 -1.96 -2.58 115.31 119.66 3mh1 h LEU 171 Ca -0.50 0.12 0.00 0.00 0.08 0.00 0.00 57.88 57.58 3mh1 h LEU 171 Cb 1.24 0.03 0.00 0.00 1.08 0.00 0.00 40.66 43.01 3mh1 h LEU 171 CO 0.67 0.09 0.00 0.52 -1.08 0.00 0.00 178.44 178.64 3mh1 n VAL 183 N -4.78 -0.04 -2.08 1.22 0.31 -1.26 -4.34 118.33 107.36 3mh1 n VAL 183 Ca 0.27 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 64.17 3mh1 n VAL 183 Cb 0.82 -0.09 -0.03 0.00 -0.91 0.00 0.00 33.84 33.63 3mh1 n VAL 183 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3mh1 s ALA 184 N -0.51 3.63 0.31 3.52 0.00 -1.26 -4.92 121.76 122.54 3mh1 s ALA 184 Ca 0.00 1.05 0.07 0.00 0.00 0.00 0.00 51.96 53.08 3mh1 s ALA 184 Cb 0.00 -3.64 0.84 0.00 0.00 0.00 0.00 23.12 20.32 3mh1 s ALA 184 CO 0.00 -0.99 1.66 1.15 0.00 0.00 0.00 175.76 177.58 3mh1 h THR 185 N 4.82 0.34 -0.78 0.00 2.02 -2.00 -1.46 112.91 115.86 3mh1 h THR 185 Ca -0.40 -0.10 0.21 0.00 0.77 0.00 0.00 66.41 66.89 3mh1 h THR 185 Cb 1.19 0.03 -0.04 0.00 -1.74 0.00 0.00 68.15 67.59 3mh1 h THR 185 CO 0.91 0.05 0.55 0.08 0.37 0.00 0.00 175.52 177.48 3mh1 h ARG 186 N 0.29 0.10 -0.04 6.66 0.11 -1.97 -1.82 114.38 117.71 3mh1 h ARG 186 Ca 0.62 -0.01 -0.08 0.00 0.10 0.00 0.00 59.98 60.61 3mh1 h ARG 186 Cb 1.29 -0.02 -0.01 0.00 1.11 0.00 0.00 29.97 32.34 3mh1 h ARG 186 CO -0.62 0.07 -0.35 -1.49 0.10 0.00 0.00 179.97 177.68 3mh1 h TRP 187 N 0.10 0.08 -0.45 4.08 6.55 -1.51 -2.88 115.95 121.92 3mh1 h TRP 187 Ca 0.38 -0.02 0.00 0.00 0.95 0.00 0.00 58.89 60.20 3mh1 h TRP 187 Cb 1.34 -0.02 0.00 0.00 -0.86 0.00 0.00 29.16 29.62 3mh1 h TRP 187 CO -0.00 0.42 0.00 0.66 -1.05 0.00 0.00 178.44 178.47 3mh1 n TYR 188 N -4.10 0.59 -3.25 0.49 4.02 -0.70 -4.59 117.16 109.63 3mh1 n TYR 188 Ca -0.02 -0.32 -0.39 0.00 -0.01 0.00 0.00 57.90 57.17 3mh1 n TYR 188 Cb 0.41 -0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.67 3mh1 n TYR 188 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 3mh1 s ARG 189 N -1.30 4.29 0.47 -0.72 1.81 -1.09 -3.55 118.95 118.85 3mh1 s ARG 189 Ca 0.39 0.66 -0.24 0.00 -1.72 0.00 0.00 55.73 54.82 3mh1 s ARG 189 Cb 0.22 -3.35 -0.08 0.00 -0.45 0.00 0.00 34.95 31.29 3mh1 s ARG 189 CO 0.30 0.35 1.26 0.00 -0.68 0.00 0.00 175.30 176.54 3mh1 n ALA 190 N 2.83 1.27 -0.36 2.13 0.00 -1.26 -4.85 120.51 120.27 3mh1 n ALA 190 Ca -0.07 0.21 0.01 0.00 0.00 0.00 0.00 53.44 53.58 3mh1 n ALA 190 Cb 0.51 -2.27 0.16 0.00 0.00 0.00 0.00 19.45 17.85 3mh1 n ALA 190 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3mh1 h PRO 191 N 1.79 1.20 -0.70 0.00 0.13 -1.95 -2.54 132.00 129.93 3mh1 h PRO 191 Ca -0.49 -0.07 0.03 0.00 -0.87 0.00 0.00 66.00 64.60 3mh1 h PRO 191 Cb 1.30 -0.27 -0.04 0.00 0.13 0.00 0.00 31.00 32.12 3mh1 h PRO 191 CO 0.58 0.79 0.46 1.05 -0.23 0.00 0.00 178.00 180.66 3mh1 h GLU 192 N 1.23 0.82 -0.68 0.86 9.09 -1.90 -0.60 114.58 123.41 3mh1 h GLU 192 Ca 0.40 -0.05 -0.07 0.00 0.05 0.00 0.00 59.36 59.69 3mh1 h GLU 192 Cb 0.03 -0.19 -0.03 0.00 -1.65 0.00 0.00 28.75 26.92 3mh1 h GLU 192 CO -0.13 0.54 0.16 0.82 0.05 0.00 0.00 179.01 180.45 3mh1 h ILE 193 N 0.85 1.26 0.00 -1.06 2.04 -1.75 -1.42 117.51 117.43 3mh1 h ILE 193 Ca 0.28 -0.96 -0.02 0.00 1.00 0.00 0.00 64.86 65.16 3mh1 h ILE 193 Cb 0.06 0.57 -0.00 0.00 -0.74 0.00 0.00 36.82 36.70 3mh1 h ILE 193 CO -0.08 0.37 -0.11 -0.03 0.00 0.00 0.00 178.15 178.30 3mh1 h MET 194 N 1.02 0.00 -0.52 2.37 4.05 -0.97 0.22 114.93 121.10 3mh1 h MET 194 Ca 0.21 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.63 3mh1 h MET 194 Cb 0.37 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.17 3mh1 h MET 194 CO 0.00 0.11 0.00 1.28 0.23 0.00 0.00 176.91 178.53 3mh1 n LEU 195 N -4.19 2.82 -3.95 3.39 4.32 -0.68 -4.97 117.00 113.74 3mh1 n LEU 195 Ca -0.03 -1.40 -0.31 0.00 -0.02 0.00 0.00 56.01 54.26 3mh1 n LEU 195 Cb 0.19 -0.35 0.02 0.00 -1.62 0.00 0.00 43.42 41.66 3mh1 n LEU 195 CO 0.34 0.70 0.08 -3.20 -1.22 0.00 0.00 177.39 174.08 3mh1 n ASN 196 N 1.04 -4.40 -4.72 -1.43 4.05 0.07 -4.92 115.26 104.95 3mh1 n ASN 196 Ca 0.18 -0.82 -0.42 0.00 0.45 0.00 0.00 54.58 53.97 3mh1 n ASN 196 Cb 0.45 -3.72 -0.03 0.00 1.23 0.00 0.00 39.78 37.71 3mh1 n ASN 196 CO 0.00 0.00 0.00 0.86 -3.05 0.00 0.00 177.26 175.07 3mh1 s TRP 197 N -3.32 3.64 0.00 1.20 -0.11 -0.58 -5.03 118.94 114.74 3mh1 s TRP 197 Ca 0.64 1.64 0.00 0.00 1.22 0.00 0.00 56.10 59.60 3mh1 s TRP 197 Cb -0.33 -3.17 0.00 0.00 -1.50 0.00 0.00 33.47 28.47 3mh1 s TRP 197 CO 0.84 -0.24 0.00 -1.33 -4.62 0.00 0.00 176.95 171.61 3mh1 n MET 198 N 3.60 3.62 -0.34 5.86 2.81 -1.26 -4.49 117.12 126.92 3mh1 n MET 198 Ca 0.06 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.95 3mh1 n MET 198 Cb 0.50 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.01 3mh1 n MET 198 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 3mh1 n HIS 199 N 0.00 0.00 -4.44 2.03 8.25 -1.26 -4.87 115.22 114.94 3mh1 n HIS 199 Ca 0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.16 3mh1 n HIS 199 Cb 0.00 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.00 3mh1 n HIS 199 CO 0.00 0.00 0.00 1.52 0.64 0.00 0.00 176.34 178.50 3mh1 s TYR 200 N -0.00 2.66 0.00 4.41 -0.85 -1.26 -5.14 117.35 117.17 3mh1 s TYR 200 Ca 0.00 -0.19 0.00 0.00 -0.52 0.00 0.00 57.07 56.36 3mh1 s TYR 200 Cb 0.00 -1.46 0.00 0.00 0.38 0.00 0.00 41.96 40.88 3mh1 s TYR 200 CO 0.00 0.35 0.00 0.27 -1.52 0.00 0.00 175.55 174.65 3mh1 n ASN 201 N 1.16 0.00 0.24 -0.18 6.94 -1.26 -4.96 115.26 117.21 3mh1 n ASN 201 Ca -0.15 -0.94 0.07 0.00 -0.02 0.00 0.00 54.58 53.54 3mh1 n ASN 201 Cb 0.52 0.00 0.58 0.00 -2.36 0.00 0.00 39.78 38.52 3mh1 n ASN 201 CO 0.00 0.00 0.00 1.56 -1.03 0.00 0.00 177.26 177.79 3mh1 h GLN 202 N 0.00 0.00 0.00 -3.83 4.20 -1.97 -2.82 115.11 110.69 3mh1 h GLN 202 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3mh1 h GLN 202 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 3mh1 h GLN 202 CO 0.00 0.09 0.00 0.25 -0.67 0.00 0.00 178.83 178.50 3mh1 n THR 203 N -4.42 1.51 -0.14 -0.54 -2.24 -1.26 -1.19 114.28 105.99 3mh1 n THR 203 Ca -0.03 0.40 0.09 0.00 -2.27 0.00 0.00 64.05 62.24 3mh1 n THR 203 Cb 0.16 -1.30 0.41 0.00 -2.10 0.00 0.00 70.33 67.50 3mh1 n THR 203 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 3mh1 h VAL 204 N 0.00 0.97 0.00 2.28 -1.51 -1.88 -1.04 116.25 115.07 3mh1 h VAL 204 Ca 0.00 -0.21 -0.10 0.00 -1.23 0.00 0.00 66.70 65.16 3mh1 h VAL 204 Cb 0.11 0.30 -0.01 0.00 -2.13 0.00 0.00 31.29 29.56 3mh1 h VAL 204 CO 0.00 0.11 -0.46 0.44 -1.23 0.00 0.00 177.57 176.44 3mh1 h ASP 205 N 0.62 0.00 -0.03 4.19 3.45 -1.42 -2.98 116.42 120.25 3mh1 h ASP 205 Ca 0.30 0.00 -0.13 0.00 0.43 0.00 0.00 57.03 57.63 3mh1 h ASP 205 Cb 0.37 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.13 3mh1 h ASP 205 CO -0.10 0.46 -0.40 0.40 -1.57 0.00 0.00 179.24 178.02 3mh1 h ILE 206 N 0.00 1.30 -0.04 0.35 1.08 -1.35 -1.18 117.51 117.68 3mh1 h ILE 206 Ca -0.00 -1.57 -0.00 0.00 -0.39 0.00 0.00 64.86 62.90 3mh1 h ILE 206 Cb 0.82 1.56 -0.00 0.00 -3.07 0.00 0.00 36.82 36.13 3mh1 h ILE 206 CO 0.06 0.49 0.02 -0.25 -0.69 0.00 0.00 178.15 177.78 3mh1 h TRP 207 N 0.45 0.05 -0.54 1.37 2.91 -1.37 -1.49 115.95 117.34 3mh1 h TRP 207 Ca 0.04 -0.00 0.10 0.00 1.13 0.00 0.00 58.89 60.15 3mh1 h TRP 207 Cb 0.90 -0.02 -0.08 0.00 -0.51 0.00 0.00 29.16 29.46 3mh1 h TRP 207 CO 0.03 0.10 0.10 0.77 -1.03 0.00 0.00 178.44 178.42 3mh1 h SER 208 N -0.02 -0.01 -0.81 2.65 0.02 -1.33 -1.96 113.55 112.09 3mh1 h SER 208 Ca 0.01 0.10 0.05 0.00 -0.84 0.00 0.00 61.79 61.11 3mh1 h SER 208 Cb 0.07 0.14 -0.05 0.00 0.14 0.00 0.00 62.40 62.70 3mh1 h SER 208 CO -0.00 0.02 0.53 0.58 -1.14 0.00 0.00 176.83 176.81 3mh1 h VAL 209 N 0.24 1.09 -0.54 2.27 2.07 -0.99 -0.97 116.25 119.42 3mh1 h VAL 209 Ca 0.27 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 3mh1 h VAL 209 Cb 0.39 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.19 3mh1 h VAL 209 CO -0.36 0.17 0.28 1.23 0.02 0.00 0.00 177.57 178.91 3mh1 h GLY 210 N 0.95 0.82 1.38 2.17 0.00 -0.81 -0.89 103.07 106.69 3mh1 h GLY 210 Ca 0.33 -0.39 -0.07 0.00 0.00 0.00 0.00 47.33 47.20 3mh1 h GLY 210 CO -0.11 0.37 -0.00 0.00 0.00 0.00 0.00 176.54 176.80 3mh1 h ILE 212 N 0.71 1.32 -0.25 0.00 2.04 -1.15 -2.55 117.51 117.63 3mh1 h ILE 212 Ca 0.14 -1.01 0.05 0.00 1.00 0.00 0.00 64.86 65.04 3mh1 h ILE 212 Cb 0.44 1.89 -0.05 0.00 -0.74 0.00 0.00 36.82 38.36 3mh1 h ILE 212 CO 0.02 0.28 -0.05 -0.03 0.00 0.00 0.00 178.15 178.36 3mh1 h MET 213 N -0.27 0.01 -0.47 2.37 4.05 -1.05 -0.40 114.93 119.17 3mh1 h MET 213 Ca 0.01 -0.00 0.08 0.00 -0.28 0.00 0.00 59.70 59.52 3mh1 h MET 213 Cb 0.45 -0.00 -0.07 0.00 -0.80 0.00 0.00 31.60 31.18 3mh1 h MET 213 CO 0.01 0.01 0.05 0.00 0.23 0.00 0.00 176.91 177.20 3mh1 h ALA 214 N 1.24 0.48 -0.83 0.39 0.00 -1.30 -1.85 119.26 117.39 3mh1 h ALA 214 Ca 0.12 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 3mh1 h ALA 214 Cb 0.18 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 3mh1 h ALA 214 CO -0.25 -0.35 0.50 1.49 0.00 0.00 0.00 179.25 180.64 3mh1 h GLU 215 N 0.17 1.12 -0.48 0.00 4.81 -0.98 -1.50 114.58 117.72 3mh1 h GLU 215 Ca 0.23 -0.10 -0.06 0.00 -0.13 0.00 0.00 59.36 59.30 3mh1 h GLU 215 Cb 0.33 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 3mh1 h GLU 215 CO -0.35 0.78 0.03 -0.07 -0.73 0.00 0.00 179.01 178.68 3mh1 h LEU 216 N 1.14 0.73 -0.06 1.64 3.38 -0.44 0.07 115.31 121.76 3mh1 h LEU 216 Ca 0.30 -0.16 -0.24 0.00 0.09 0.00 0.00 57.88 57.87 3mh1 h LEU 216 Cb -0.05 -0.19 0.02 0.00 0.09 0.00 0.00 40.66 40.52 3mh1 h LEU 216 CO -0.06 0.77 -0.90 -0.07 0.09 0.00 0.00 178.44 178.28 3mh1 h LEU 217 N 0.72 0.89 0.00 1.67 3.38 -0.93 -3.39 115.31 117.66 3mh1 h LEU 217 Ca 0.15 -0.70 0.00 0.00 0.09 0.00 0.00 57.88 57.42 3mh1 h LEU 217 Cb 0.39 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3mh1 h LEU 217 CO 0.01 1.46 -1.79 0.35 0.09 0.00 0.00 178.44 178.56 3mh1 n THR 218 N -3.93 0.02 -0.91 0.22 -2.24 -0.60 -4.92 114.28 101.92 3mh1 n THR 218 Ca -0.10 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 3mh1 n THR 218 Cb 0.81 0.17 0.00 0.00 -2.10 0.00 0.00 70.33 69.21 3mh1 n THR 218 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mh1 n GLY 219 N 1.30 1.09 3.35 3.38 0.00 0.00 -5.03 105.19 109.29 3mh1 n GLY 219 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 3mh1 n GLY 219 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mh1 s ARG 220 N -0.04 1.73 0.19 1.61 0.52 -1.24 -5.03 118.95 116.69 3mh1 s ARG 220 Ca 0.00 -1.16 -0.33 0.00 -0.52 0.00 0.00 55.73 53.73 3mh1 s ARG 220 Cb 0.00 -1.96 -0.13 0.00 0.52 0.00 0.00 34.95 33.38 3mh1 s ARG 220 CO 0.00 0.50 1.64 2.41 0.02 0.00 0.00 175.30 179.87 3mh1 n THR 221 N 1.62 0.08 0.49 0.02 -1.04 -1.26 -4.12 114.28 110.06 3mh1 n THR 221 Ca -0.17 -0.02 -0.20 0.00 -2.04 0.00 0.00 64.05 61.62 3mh1 n THR 221 Cb 0.52 -1.76 -0.10 0.00 -1.82 0.00 0.00 70.33 67.18 3mh1 n THR 221 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3mh1 h LEU 222 N 6.19 -1.05 -7.02 -4.42 6.46 -1.92 -3.37 115.31 110.19 3mh1 h LEU 222 Ca -0.44 0.03 -0.62 0.00 -0.12 0.00 0.00 57.88 56.74 3mh1 h LEU 222 Cb 1.23 0.27 -0.41 0.00 -0.73 0.00 0.00 40.66 41.02 3mh1 h LEU 222 CO 0.91 -0.74 -0.62 -0.36 -0.62 0.00 0.00 178.44 177.01 3mh1 s PHE 223 N -5.94 3.24 -1.24 1.25 0.40 -1.26 -5.02 117.98 109.42 3mh1 s PHE 223 Ca -0.19 -3.20 -0.12 0.00 -0.60 0.00 0.00 56.93 52.82 3mh1 s PHE 223 Cb 0.02 -2.50 -0.06 0.00 0.51 0.00 0.00 43.02 41.00 3mh1 s PHE 223 CO 0.60 -0.59 2.38 -0.35 0.70 0.00 0.00 175.22 177.95 3mh1 n PRO 224 N 2.16 2.67 -1.88 0.24 -0.04 -1.26 -4.59 135.00 132.30 3mh1 n PRO 224 Ca 0.20 -2.02 -0.37 0.00 -0.04 0.00 0.00 63.50 61.27 3mh1 n PRO 224 Cb 0.36 -2.83 0.04 0.00 -0.04 0.00 0.00 33.50 31.03 3mh1 n PRO 224 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3mh1 s GLY 225 N 3.25 2.83 0.04 0.55 0.00 -1.26 -4.95 107.32 107.78 3mh1 s GLY 225 Ca 0.54 1.18 0.18 0.00 0.00 0.00 0.00 44.72 46.62 3mh1 s GLY 225 CO -0.03 1.63 0.73 -1.30 0.00 0.00 0.00 173.10 174.13 3mh1 n THR 226 N -1.38 0.99 -3.48 0.90 -2.24 -1.26 -4.86 114.28 102.94 3mh1 n THR 226 Ca 0.13 -0.67 -0.02 0.00 -2.27 0.00 0.00 64.05 61.22 3mh1 n THR 226 Cb 0.47 -0.56 -0.00 0.00 -2.10 0.00 0.00 70.33 68.14 3mh1 n THR 226 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3mh1 n ASP 227 N -2.77 -0.29 0.15 3.42 5.75 -1.26 -5.03 116.55 116.52 3mh1 n ASP 227 Ca -0.10 -1.31 0.00 0.00 -0.01 0.00 0.00 54.79 53.37 3mh1 n ASP 227 Cb 0.80 0.51 0.27 0.00 -1.03 0.00 0.00 41.12 41.67 3mh1 n ASP 227 CO 0.00 0.00 0.00 0.45 -0.11 0.00 0.00 177.20 177.54 3mh1 h HIS 228 N 1.17 0.07 0.16 2.11 3.86 -1.97 -0.88 115.15 119.68 3mh1 h HIS 228 Ca -0.05 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.13 3mh1 h HIS 228 Cb 0.21 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.66 3mh1 h HIS 228 CO 0.00 0.51 -0.08 0.82 0.86 0.00 0.00 177.93 180.04 3mh1 h ILE 229 N 0.05 0.93 -0.78 2.45 2.04 -1.97 -2.97 117.51 117.27 3mh1 h ILE 229 Ca 0.00 -1.05 0.17 0.00 1.00 0.00 0.00 64.86 64.99 3mh1 h ILE 229 Cb 0.82 1.51 -0.11 0.00 -0.74 0.00 0.00 36.82 38.30 3mh1 h ILE 229 CO 0.06 0.22 0.26 -0.78 0.00 0.00 0.00 178.15 177.91 3mh1 h ASP 230 N -0.77 0.15 -0.49 1.72 -0.00 -1.94 0.03 116.42 115.12 3mh1 h ASP 230 Ca -0.02 0.14 0.09 0.00 -0.00 0.00 0.00 57.03 57.24 3mh1 h ASP 230 Cb 0.52 0.16 -0.08 0.00 -0.00 0.00 0.00 39.33 39.94 3mh1 h ASP 230 CO 0.04 0.00 0.01 -0.61 -0.00 0.00 0.00 179.24 178.68 3mh1 h GLN 231 N 0.34 0.13 -0.59 0.28 5.75 -1.21 -0.84 115.11 118.97 3mh1 h GLN 231 Ca 0.45 -0.01 -0.04 0.00 -0.15 0.00 0.00 58.65 58.91 3mh1 h GLN 231 Cb 0.78 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 29.27 3mh1 h GLN 231 CO -0.49 0.08 0.21 -0.07 -2.65 0.00 0.00 178.83 175.91 3mh1 h LEU 232 N 0.13 0.80 0.36 -2.39 4.07 -0.84 -0.86 115.31 116.58 3mh1 h LEU 232 Ca 0.24 -0.12 -0.01 0.00 0.08 0.00 0.00 57.88 58.08 3mh1 h LEU 232 Cb 0.36 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 41.88 3mh1 h LEU 232 CO -0.39 0.74 -0.28 0.11 -1.08 0.00 0.00 178.44 177.54 3mh1 h LYS 233 N 0.85 -0.61 -0.38 1.13 1.57 -0.49 -1.75 116.57 116.88 3mh1 h LYS 233 Ca 0.20 0.04 0.04 0.00 -1.87 0.00 0.00 60.65 59.06 3mh1 h LYS 233 Cb 0.21 0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.62 3mh1 h LYS 233 CO -0.01 -0.41 0.15 -0.07 -0.57 0.00 0.00 179.45 178.54 3mh1 h LEU 234 N -0.64 0.18 -0.30 2.94 3.38 -1.09 -1.16 115.31 118.63 3mh1 h LEU 234 Ca -0.03 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.02 3mh1 h LEU 234 Cb 0.55 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.27 3mh1 h LEU 234 CO -0.00 0.14 0.03 0.40 0.09 0.00 0.00 178.44 179.10 3mh1 h ILE 235 N 0.32 0.82 -0.27 1.22 2.04 -1.05 -2.61 117.51 117.98 3mh1 h ILE 235 Ca 0.17 -0.05 -0.03 0.00 1.00 0.00 0.00 64.86 65.96 3mh1 h ILE 235 Cb 0.13 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 3mh1 h ILE 235 CO -0.16 0.02 0.04 -0.07 0.00 0.00 0.00 178.15 177.99 3mh1 h LEU 236 N 0.13 0.36 -0.71 1.44 3.38 -1.02 -1.89 115.31 117.01 3mh1 h LEU 236 Ca 0.14 -0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.13 3mh1 h LEU 236 Cb 0.17 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.77 3mh1 h LEU 236 CO -0.21 0.39 0.41 0.03 0.09 0.00 0.00 178.44 179.14 3mh1 h ARG 237 N 0.39 0.72 0.20 1.13 3.08 -0.83 -0.08 114.38 118.99 3mh1 h ARG 237 Ca 0.09 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 3mh1 h ARG 237 Cb 0.19 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.08 3mh1 h ARG 237 CO -0.00 0.48 -0.10 1.25 -1.07 0.00 0.00 179.97 180.53 3mh1 h LEU 238 N 0.75 -0.23 0.00 3.04 5.85 -1.36 -3.39 115.31 119.97 3mh1 h LEU 238 Ca 0.32 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.99 3mh1 h LEU 238 Cb 0.18 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.27 3mh1 h LEU 238 CO -0.18 0.26 -0.20 1.33 -0.34 0.00 0.00 178.44 179.31 3mh1 n VAL 239 N -4.95 0.33 0.00 1.05 0.24 -0.73 -1.75 118.33 112.51 3mh1 n VAL 239 Ca -0.04 -0.18 0.00 0.00 -2.04 0.00 0.00 64.34 62.08 3mh1 n VAL 239 Cb 0.13 -0.37 0.00 0.00 -1.47 0.00 0.00 33.84 32.13 3mh1 n VAL 239 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3mh1 n GLY 240 N 1.38 -1.60 3.65 7.63 0.00 -0.05 -4.05 105.19 112.15 3mh1 n GLY 240 Ca 0.05 -1.42 -0.39 0.00 0.00 0.00 0.00 46.02 44.26 3mh1 n GLY 240 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3mh1 n THR 241 N -0.71 3.23 -1.92 2.61 -2.24 -1.26 -4.83 114.28 109.17 3mh1 n THR 241 Ca 0.00 -0.50 -0.40 0.00 -2.27 0.00 0.00 64.05 60.88 3mh1 n THR 241 Cb 0.00 -1.30 0.00 0.00 -2.10 0.00 0.00 70.33 66.93 3mh1 n THR 241 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 3mh1 s PRO 242 N -2.51 3.96 0.82 -0.78 0.02 -1.26 -4.95 135.00 130.31 3mh1 s PRO 242 Ca 0.70 2.35 -0.11 0.00 0.02 0.00 0.00 61.00 63.96 3mh1 s PRO 242 Cb -0.46 -2.82 0.09 0.00 0.02 0.00 0.00 34.50 31.33 3mh1 s PRO 242 CO 0.51 -0.57 1.10 0.20 -0.33 0.00 0.00 177.00 177.92 3mh1 s GLY 243 N -0.49 1.67 0.24 0.52 0.00 -1.26 -4.70 107.32 103.30 3mh1 s GLY 243 Ca 0.56 0.27 -0.08 0.00 0.00 0.00 0.00 44.72 45.47 3mh1 s GLY 243 CO 0.55 0.65 1.36 0.00 0.00 0.00 0.00 173.10 175.67 3mh1 n ALA 244 N -3.72 0.19 0.33 3.20 0.00 -1.26 -0.65 120.51 118.59 3mh1 n ALA 244 Ca 0.09 0.96 0.22 0.00 0.00 0.00 0.00 53.44 54.70 3mh1 n ALA 244 Cb 0.53 -0.56 1.12 0.00 0.00 0.00 0.00 19.45 20.53 3mh1 n ALA 244 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 3mh1 h GLU 245 N 0.00 0.00 0.00 0.00 -0.00 -2.01 -2.57 114.58 110.00 3mh1 h GLU 245 Ca 0.41 0.00 -0.37 0.00 -0.00 0.00 0.00 59.36 59.40 3mh1 h GLU 245 Cb 0.63 0.00 -0.07 0.00 -0.00 0.00 0.00 28.75 29.31 3mh1 h GLU 245 CO -0.90 0.00 -2.40 -0.11 -0.00 0.00 0.00 179.01 175.60 3mh1 n LEU 246 N -3.05 2.25 -0.24 3.06 -0.00 0.18 -4.40 117.00 114.79 3mh1 n LEU 246 Ca -0.02 -0.10 -0.05 0.00 -0.00 0.00 0.00 56.01 55.83 3mh1 n LEU 246 Cb 0.11 -0.54 0.05 0.00 -0.00 0.00 0.00 43.42 43.04 3mh1 n LEU 246 CO 0.21 0.81 1.15 -0.07 -0.00 0.00 0.00 177.39 179.50 3mh1 h LEU 247 N 0.00 0.78 -1.34 -1.96 3.38 -1.06 -1.24 115.31 113.87 3mh1 h LEU 247 Ca -0.55 -0.03 0.39 0.00 0.09 0.00 0.00 57.88 57.78 3mh1 h LEU 247 Cb 1.95 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 42.45 3mh1 h LEU 247 CO -0.06 0.58 1.20 0.29 0.09 0.00 0.00 178.44 180.54 3mh1 n LYS 248 N -4.60 0.01 0.00 1.13 5.02 -0.99 -0.58 118.16 118.14 3mh1 n LYS 248 Ca 0.06 0.96 0.12 0.00 -2.02 0.00 0.00 58.31 57.43 3mh1 n LYS 248 Cb 0.02 -2.30 0.25 0.00 -0.02 0.00 0.00 35.03 32.98 3mh1 n LYS 248 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3mh1 n LYS 249 N -3.38 1.34 0.05 1.97 5.02 -0.47 -4.70 118.16 118.00 3mh1 n LYS 249 Ca 0.30 -0.96 -0.11 0.00 -2.02 0.00 0.00 58.31 55.52 3mh1 n LYS 249 Cb 1.61 -1.48 -0.08 0.00 -0.02 0.00 0.00 35.03 35.06 3mh1 n LYS 249 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 3mh1 h ILE 250 N 2.35 0.86 0.00 -0.18 1.08 -0.97 -3.47 117.51 117.19 3mh1 h ILE 250 Ca 0.00 -1.17 0.00 0.00 -0.39 0.00 0.00 64.86 63.30 3mh1 h ILE 250 Cb 0.66 1.45 0.00 0.00 -3.07 0.00 0.00 36.82 35.86 3mh1 h ILE 250 CO 0.00 0.23 0.00 -0.24 -0.69 0.00 0.00 178.15 177.45 3mh1 n SER 251 N -4.91 0.00 -4.68 1.72 2.88 -1.26 -4.93 113.62 102.45 3mh1 n SER 251 Ca -0.08 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.04 3mh1 n SER 251 Cb 0.26 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.69 3mh1 n SER 251 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 3mh1 s SER 252 N 0.00 6.45 0.17 -3.46 0.15 -1.26 -4.87 113.70 110.89 3mh1 s SER 252 Ca 0.00 2.69 0.02 0.00 0.70 0.00 0.00 55.95 59.36 3mh1 s SER 252 Cb 0.00 -2.55 0.03 0.00 -1.71 0.00 0.00 66.02 61.79 3mh1 s SER 252 CO 0.00 -1.02 1.40 -0.08 1.20 0.00 0.00 173.24 174.75 3mh1 h GLU 253 N 9.46 0.21 -0.18 5.44 4.57 -1.99 -2.14 114.58 129.96 3mh1 h GLU 253 Ca -0.47 -0.22 -0.18 0.00 -1.18 0.00 0.00 59.36 57.32 3mh1 h GLU 253 Cb 1.22 0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 29.87 3mh1 h GLU 253 CO 0.94 0.93 -0.61 0.66 -1.18 0.00 0.00 179.01 179.76 3mh1 h SER 254 N 0.13 0.70 -0.27 1.04 4.64 -1.99 -0.01 113.55 117.79 3mh1 h SER 254 Ca -0.04 -0.40 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 3mh1 h SER 254 Cb 1.44 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 63.32 3mh1 h SER 254 CO 0.13 1.14 0.17 0.00 -0.87 0.00 0.00 176.83 177.40 3mh1 h ALA 255 N 0.86 0.34 0.13 5.18 0.00 -1.96 0.92 119.26 124.75 3mh1 h ALA 255 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3mh1 h ALA 255 Cb 1.18 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 3mh1 h ALA 255 CO 0.12 -0.17 -0.13 -0.09 0.00 0.00 0.00 179.25 178.98 3mh1 h ARG 256 N 0.35 -0.27 -0.85 0.00 2.43 -1.25 0.12 114.38 114.91 3mh1 h ARG 256 Ca 0.10 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.28 3mh1 h ARG 256 Cb -0.01 0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.56 3mh1 h ARG 256 CO -0.02 -0.18 0.49 -0.91 -1.51 0.00 0.00 179.97 177.84 3mh1 h ASN 257 N -0.28 1.04 -0.38 -3.80 2.35 -0.87 -0.08 115.58 113.56 3mh1 h ASN 257 Ca 0.00 -0.08 0.01 0.00 -0.55 0.00 0.00 56.30 55.68 3mh1 h ASN 257 Cb 0.27 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 3mh1 h ASN 257 CO -0.03 0.82 0.23 0.22 -1.65 0.00 0.00 177.43 177.02 3mh1 h TYR 258 N 1.18 0.43 -0.50 1.19 3.20 -0.50 0.33 116.97 122.30 3mh1 h TYR 258 Ca 0.30 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.13 3mh1 h TYR 258 Cb -0.01 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.10 3mh1 h TYR 258 CO 0.00 0.25 0.09 0.82 -1.64 0.00 0.00 178.16 177.68 3mh1 h ILE 259 N 0.46 1.25 0.00 1.81 2.04 -0.37 -3.10 117.51 119.60 3mh1 h ILE 259 Ca 0.15 -0.92 -0.16 0.00 1.00 0.00 0.00 64.86 64.93 3mh1 h ILE 259 Cb -0.01 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 3mh1 h ILE 259 CO -0.06 0.33 -0.74 1.56 0.00 0.00 0.00 178.15 179.24 3mh1 h GLN 260 N 0.71 0.00 -7.24 2.37 4.20 -0.81 -3.44 115.11 110.90 3mh1 h GLN 260 Ca 0.15 0.00 -0.44 0.00 0.06 0.00 0.00 58.65 58.43 3mh1 h GLN 260 Cb 0.39 0.00 0.19 0.00 0.30 0.00 0.00 27.48 28.36 3mh1 h GLN 260 CO 0.01 0.74 0.07 -1.54 -0.67 0.00 0.00 178.83 177.44 3mh1 s SER 261 N -6.79 1.38 0.43 1.46 1.04 0.11 -4.84 113.70 106.49 3mh1 s SER 261 Ca -0.00 1.26 0.00 0.00 0.48 0.00 0.00 55.95 57.69 3mh1 s SER 261 Cb 0.12 -1.96 0.00 0.00 0.10 0.00 0.00 66.02 64.28 3mh1 s SER 261 CO 0.78 -3.92 0.00 0.00 0.98 0.00 0.00 173.24 171.08 3mh1 n LEU 262 N -4.70 -1.54 -4.63 2.42 -0.00 -1.26 -4.81 117.00 102.47 3mh1 n LEU 262 Ca 0.05 2.22 -0.43 0.00 -0.00 0.00 0.00 56.01 57.85 3mh1 n LEU 262 Cb 0.56 -2.08 -0.03 0.00 -0.00 0.00 0.00 43.42 41.88 3mh1 n LEU 262 CO 0.56 -0.22 1.53 -0.89 -0.00 0.00 0.00 177.39 178.38 3mh1 s THR 263 N -4.26 3.38 0.01 1.47 2.01 -1.26 -4.89 115.64 112.10 3mh1 s THR 263 Ca 0.00 0.43 -0.07 0.00 0.31 0.00 0.00 61.69 62.36 3mh1 s THR 263 Cb 0.00 -3.38 -0.04 0.00 0.01 0.00 0.00 72.50 69.09 3mh1 s THR 263 CO 0.00 -0.15 0.18 0.00 -0.69 0.00 0.00 174.62 173.96 3mh1 n GLN 264 N 7.86 0.00 -3.59 4.92 6.02 -1.26 -4.92 117.38 126.41 3mh1 n GLN 264 Ca 0.21 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.91 3mh1 n GLN 264 Cb 0.44 -0.27 -0.12 0.00 1.02 0.00 0.00 30.24 31.31 3mh1 n GLN 264 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 3mh1 s MET 265 N -0.05 1.03 0.68 -1.09 1.75 -1.26 -5.09 119.30 115.27 3mh1 s MET 265 Ca 0.17 -1.84 -0.09 0.00 -1.25 0.00 0.00 55.69 52.68 3mh1 s MET 265 Cb -0.23 -1.90 0.15 0.00 2.84 0.00 0.00 34.83 35.69 3mh1 s MET 265 CO 0.11 -1.21 0.93 -2.30 -0.65 0.00 0.00 175.02 171.90 3mh1 n PRO 266 N 3.56 -0.68 -1.46 4.11 -0.02 -1.26 -3.99 135.00 135.26 3mh1 n PRO 266 Ca 0.13 -1.68 -0.54 0.00 -2.02 0.00 0.00 63.50 59.39 3mh1 n PRO 266 Cb 0.37 -0.88 -0.08 0.00 -0.02 0.00 0.00 33.50 32.89 3mh1 n PRO 266 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3mh1 n LYS 267 N -2.91 0.92 -0.75 -0.52 4.81 -1.26 -4.50 118.16 113.96 3mh1 n LYS 267 Ca 0.12 0.27 -0.31 0.00 -0.87 0.00 0.00 58.31 57.53 3mh1 n LYS 267 Cb 0.44 -2.23 0.17 0.00 0.02 0.00 0.00 35.03 33.43 3mh1 n LYS 267 CO 0.00 0.00 0.00 -1.64 1.17 0.00 0.00 177.40 176.93 3mh1 s MET 268 N 5.64 0.86 -0.52 1.64 -1.94 -0.72 -4.93 119.30 119.33 3mh1 s MET 268 Ca 1.09 1.38 -0.25 0.00 -1.71 0.00 0.00 55.69 56.20 3mh1 s MET 268 Cb -1.01 -1.72 0.04 0.00 2.01 0.00 0.00 34.83 34.15 3mh1 s MET 268 CO 0.55 -2.69 0.93 -0.80 -0.01 0.00 0.00 175.02 173.01 3mh1 s ASN 269 N -2.75 6.39 0.32 3.03 0.01 -1.26 -4.87 114.94 115.81 3mh1 s ASN 269 Ca 0.66 -0.19 0.09 0.00 -0.71 0.00 0.00 52.86 52.71 3mh1 s ASN 269 Cb -0.22 -2.44 0.92 0.00 0.41 0.00 0.00 41.25 39.92 3mh1 s ASN 269 CO 0.59 -1.16 1.65 -0.26 -1.51 0.00 0.00 177.10 176.41 3mh1 h PHE 270 N 9.22 0.67 -0.68 2.20 0.05 -1.93 0.56 116.94 127.04 3mh1 h PHE 270 Ca -0.25 0.04 0.02 0.00 3.82 0.00 0.00 57.97 61.60 3mh1 h PHE 270 Cb 1.07 -0.14 -0.04 0.00 2.00 0.00 0.00 35.95 38.85 3mh1 h PHE 270 CO 0.89 -0.20 0.45 0.00 -0.18 0.00 0.00 178.31 179.28 3mh1 h ALA 271 N 1.83 1.56 0.00 2.45 0.00 -1.93 0.16 119.26 123.33 3mh1 h ALA 271 Ca 0.66 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.53 3mh1 h ALA 271 Cb 1.43 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3mh1 h ALA 271 CO -0.63 0.39 0.00 0.09 0.00 0.00 0.00 179.25 179.09 3mh1 n ASN 272 N -4.44 0.72 -0.09 0.00 3.02 0.19 -1.24 115.26 113.41 3mh1 n ASN 272 Ca 0.08 0.62 -0.20 0.00 -0.03 0.00 0.00 54.58 55.04 3mh1 n ASN 272 Cb 0.08 -0.79 -0.12 0.00 -0.61 0.00 0.00 39.78 38.33 3mh1 n ASN 272 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3mh1 n VAL 273 N -2.23 1.59 -0.75 2.41 0.31 0.26 -4.25 118.33 115.67 3mh1 n VAL 273 Ca 0.04 -0.57 -0.08 0.00 -0.01 0.00 0.00 64.34 63.72 3mh1 n VAL 273 Cb 0.33 -1.57 0.25 0.00 -0.91 0.00 0.00 33.84 31.93 3mh1 n VAL 273 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3mh1 n PHE 274 N -3.43 2.21 -1.59 3.52 3.01 0.31 -5.02 117.46 116.46 3mh1 n PHE 274 Ca -0.42 -1.15 -0.58 0.00 1.01 0.00 0.00 57.45 56.31 3mh1 n PHE 274 Cb 0.99 -0.65 -0.08 0.00 -0.01 0.00 0.00 39.48 39.73 3mh1 n PHE 274 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 3mh1 n ILE 275 N -0.20 0.04 0.00 4.37 -0.00 -0.38 -0.26 119.36 122.93 3mh1 n ILE 275 Ca 0.38 -0.01 0.00 0.00 -0.00 0.00 0.00 62.75 63.12 3mh1 n ILE 275 Cb 1.29 -0.45 0.00 0.00 -0.00 0.00 0.00 39.64 40.47 3mh1 n ILE 275 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 3mh1 n GLY 276 N 2.52 3.25 3.79 7.39 0.00 -1.26 -5.06 105.19 115.82 3mh1 n GLY 276 Ca 0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 3mh1 n GLY 276 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mh1 s ALA 277 N -2.37 2.73 -0.06 4.61 0.00 0.64 -4.96 121.76 122.35 3mh1 s ALA 277 Ca 0.00 0.65 -0.39 0.00 0.00 0.00 0.00 51.96 52.22 3mh1 s ALA 277 Cb 0.00 -3.30 -0.18 0.00 0.00 0.00 0.00 23.12 19.64 3mh1 s ALA 277 CO 0.00 -0.68 1.35 -1.71 0.00 0.00 0.00 175.76 174.72 3mh1 n ASN 278 N -1.44 1.20 0.16 0.00 2.85 -1.26 -4.84 115.26 111.93 3mh1 n ASN 278 Ca 0.10 1.13 0.13 0.00 -0.11 0.00 0.00 54.58 55.84 3mh1 n ASN 278 Cb 0.52 -1.06 0.68 0.00 1.24 0.00 0.00 39.78 41.15 3mh1 n ASN 278 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3mh1 h PRO 279 N 4.55 0.00 0.00 1.20 0.11 -1.96 -0.98 132.00 134.92 3mh1 h PRO 279 Ca -0.48 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.53 3mh1 h PRO 279 Cb 1.37 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.46 3mh1 h PRO 279 CO 0.79 0.00 -0.47 -0.07 -0.21 0.00 0.00 178.00 178.04 3mh1 h LEU 280 N 0.00 0.00 -0.36 2.35 3.38 -2.00 -1.87 115.31 116.81 3mh1 h LEU 280 Ca 0.10 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.92 3mh1 h LEU 280 Cb 0.42 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 3mh1 h LEU 280 CO -0.00 0.47 -0.37 0.00 0.09 0.00 0.00 178.44 178.63 3mh1 h ALA 281 N 1.53 0.53 -0.41 1.53 0.00 -1.55 -2.59 119.26 118.30 3mh1 h ALA 281 Ca -0.00 -0.45 0.02 0.00 0.00 0.00 0.00 54.91 54.47 3mh1 h ALA 281 Cb 0.86 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 3mh1 h ALA 281 CO 0.06 0.62 0.24 0.28 0.00 0.00 0.00 179.25 180.45 3mh1 h VAL 282 N 0.68 1.05 -0.54 0.00 2.07 -1.32 -0.56 116.25 117.64 3mh1 h VAL 282 Ca 0.05 -0.17 0.01 0.00 0.82 0.00 0.00 66.70 67.41 3mh1 h VAL 282 Cb 0.96 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 3mh1 h VAL 282 CO 0.09 0.09 0.35 -0.78 0.02 0.00 0.00 177.57 177.34 3mh1 h ASP 283 N 0.50 0.60 -0.29 0.57 3.58 -1.30 -1.35 116.42 118.72 3mh1 h ASP 283 Ca 0.16 -0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.57 3mh1 h ASP 283 Cb -0.00 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 40.89 3mh1 h ASP 283 CO -0.07 0.43 0.08 0.25 -2.88 0.00 0.00 179.24 177.05 3mh1 h LEU 284 N 0.71 0.44 -0.52 2.28 5.85 -1.35 -2.75 115.31 119.98 3mh1 h LEU 284 Ca 0.20 -0.22 0.10 0.00 0.84 0.00 0.00 57.88 58.80 3mh1 h LEU 284 Cb -0.06 -0.12 -0.10 0.00 0.37 0.00 0.00 40.66 40.75 3mh1 h LEU 284 CO -0.05 0.55 -0.14 -0.07 -0.34 0.00 0.00 178.44 178.38 3mh1 h LEU 285 N 0.31 -0.53 -1.98 2.25 3.38 -0.81 -0.18 115.31 117.75 3mh1 h LEU 285 Ca 0.09 0.16 0.12 0.00 0.09 0.00 0.00 57.88 58.34 3mh1 h LEU 285 Cb 0.28 0.34 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 3mh1 h LEU 285 CO 0.00 -0.18 0.30 -0.33 0.09 0.00 0.00 178.44 178.31 3mh1 h GLU 286 N -0.02 0.02 0.00 1.13 5.08 -1.00 0.41 114.58 120.20 3mh1 h GLU 286 Ca 0.25 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 3mh1 h GLU 286 Cb 0.40 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 3mh1 h GLU 286 CO -0.54 0.01 -0.40 1.63 -1.00 0.00 0.00 179.01 178.71 3mh1 n LYS 287 N -4.42 0.25 -0.06 2.33 5.02 -0.15 -3.95 118.16 117.18 3mh1 n LYS 287 Ca 0.07 0.12 -0.21 0.00 -2.02 0.00 0.00 58.31 56.26 3mh1 n LYS 287 Cb 0.48 -1.71 -0.13 0.00 -0.02 0.00 0.00 35.03 33.66 3mh1 n LYS 287 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3mh1 n MET 288 N -2.10 0.69 -1.79 1.97 2.81 -0.27 -2.14 117.12 116.30 3mh1 n MET 288 Ca 0.04 0.29 -0.34 0.00 -1.81 0.00 0.00 57.70 55.88 3mh1 n MET 288 Cb 0.43 -1.65 -0.02 0.00 -0.71 0.00 0.00 33.22 31.26 3mh1 n MET 288 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3mh1 n LEU 289 N -3.65 7.13 -4.84 4.03 4.77 -0.03 -4.29 117.00 120.13 3mh1 n LEU 289 Ca -0.37 -4.52 -0.37 0.00 -0.03 0.00 0.00 56.01 50.72 3mh1 n LEU 289 Cb 0.96 -1.24 -0.06 0.00 -2.33 0.00 0.00 43.42 40.75 3mh1 n LEU 289 CO 0.32 1.86 -0.08 -0.69 -1.33 0.00 0.00 177.39 177.46 3mh1 s VAL 290 N -2.50 5.35 0.20 4.08 1.01 -1.26 -4.92 120.40 122.36 3mh1 s VAL 290 Ca 0.55 0.41 -0.10 0.00 0.00 0.00 0.00 61.98 62.84 3mh1 s VAL 290 Cb 0.32 -3.52 0.13 0.00 0.00 0.00 0.00 36.38 33.31 3mh1 s VAL 290 CO -0.21 0.57 1.83 -0.07 0.00 0.00 0.00 175.10 177.22 3mh1 h LEU 291 N 5.26 0.64 -8.63 3.92 4.07 -1.95 -3.41 115.31 115.23 3mh1 h LEU 291 Ca -0.51 0.01 -0.58 0.00 0.08 0.00 0.00 57.88 56.87 3mh1 h LEU 291 Cb 1.21 -0.13 -0.10 0.00 1.08 0.00 0.00 40.66 42.73 3mh1 h LEU 291 CO 0.63 0.44 0.73 -0.62 -1.08 0.00 0.00 178.44 178.54 3mh1 s ASP 292 N -5.68 6.48 0.55 -0.43 -1.08 -1.26 -4.89 116.67 110.36 3mh1 s ASP 292 Ca -0.13 0.09 0.32 0.00 -0.52 0.00 0.00 52.55 52.32 3mh1 s ASP 292 Cb 0.15 -2.49 1.55 0.00 -1.46 0.00 0.00 42.92 40.67 3mh1 s ASP 292 CO 0.76 -1.21 2.07 0.77 0.52 0.00 0.00 175.17 178.08 3mh1 h SER 293 N 9.25 0.00 -0.05 -0.34 4.64 -1.97 -0.17 113.55 124.91 3mh1 h SER 293 Ca -0.24 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.09 3mh1 h SER 293 Cb 1.07 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.16 3mh1 h SER 293 CO 1.09 0.07 0.04 0.44 -0.87 0.00 0.00 176.83 177.60 3mh1 h ASP 294 N 0.00 0.00 -0.34 4.97 3.45 -1.96 -3.11 116.42 119.43 3mh1 h ASP 294 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3mh1 h ASP 294 Cb 0.38 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.15 3mh1 h ASP 294 CO 0.01 0.00 0.00 0.29 -1.57 0.00 0.00 179.24 177.97 3mh1 n LYS 295 N -4.49 2.45 -2.83 3.56 4.76 -0.09 -4.95 118.16 116.58 3mh1 n LYS 295 Ca -0.02 -1.99 -0.40 0.00 -2.87 0.00 0.00 58.31 53.03 3mh1 n LYS 295 Cb 0.14 -1.31 -0.05 0.00 -1.84 0.00 0.00 35.03 31.97 3mh1 n LYS 295 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 3mh1 s ARG 296 N -1.02 4.65 0.38 1.97 3.52 -1.16 -4.98 118.95 122.31 3mh1 s ARG 296 Ca 0.25 1.32 -0.27 0.00 -0.13 0.00 0.00 55.73 56.91 3mh1 s ARG 296 Cb 0.14 -3.35 -0.11 0.00 -1.56 0.00 0.00 34.95 30.07 3mh1 s ARG 296 CO 0.19 0.31 1.25 1.51 -0.81 0.00 0.00 175.30 177.75 3mh1 n ILE 297 N 2.50 2.27 -2.38 4.11 3.06 -0.91 -5.02 119.36 123.00 3mh1 n ILE 297 Ca -0.00 -0.50 -0.25 0.00 -2.50 0.00 0.00 62.75 59.49 3mh1 n ILE 297 Cb 0.49 -1.52 0.05 0.00 0.54 0.00 0.00 39.64 39.19 3mh1 n ILE 297 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 3mh1 s THR 298 N -1.15 3.03 0.17 9.51 -4.23 -1.26 -4.89 115.64 116.82 3mh1 s THR 298 Ca 0.58 -0.20 -0.14 0.00 -1.18 0.00 0.00 61.69 60.75 3mh1 s THR 298 Cb -0.54 -3.23 0.06 0.00 1.34 0.00 0.00 72.50 70.12 3mh1 s THR 298 CO 0.60 -0.23 1.79 0.00 -0.54 0.00 0.00 174.62 176.25 3mh1 h ALA 299 N -0.28 0.61 -0.48 3.99 0.00 -1.94 0.06 119.26 121.22 3mh1 h ALA 299 Ca -0.45 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 3mh1 h ALA 299 Cb 1.28 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 3mh1 h ALA 299 CO 0.59 -0.07 0.21 0.00 0.00 0.00 0.00 179.25 179.98 3mh1 h ALA 300 N 1.24 0.62 -0.46 0.00 0.00 -1.94 -2.03 119.26 116.68 3mh1 h ALA 300 Ca 0.20 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 3mh1 h ALA 300 Cb 0.07 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3mh1 h ALA 300 CO -0.12 0.21 -0.16 1.96 0.00 0.00 0.00 179.25 181.13 3mh1 h GLN 301 N 0.63 0.90 -0.21 0.00 4.20 -1.87 -3.03 115.11 115.71 3mh1 h GLN 301 Ca 0.16 -0.34 -0.08 0.00 0.06 0.00 0.00 58.65 58.45 3mh1 h GLN 301 Cb 0.16 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 3mh1 h GLN 301 CO -0.02 0.99 -0.21 0.00 -0.67 0.00 0.00 178.83 178.92 3mh1 h ALA 302 N 1.02 1.24 -0.23 3.87 0.00 -0.74 -2.09 119.26 122.33 3mh1 h ALA 302 Ca 0.12 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3mh1 h ALA 302 Cb 0.70 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3mh1 h ALA 302 CO 0.05 0.50 0.15 -0.07 0.00 0.00 0.00 179.25 179.88 3mh1 h LEU 303 N 0.35 0.26 -1.10 0.00 3.38 -1.25 -1.87 115.31 115.08 3mh1 h LEU 303 Ca 0.06 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3mh1 h LEU 303 Cb 0.57 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3mh1 h LEU 303 CO 0.04 0.19 0.00 0.00 0.09 0.00 0.00 178.44 178.76 3mh1 n ALA 304 N -2.50 2.47 -1.83 1.53 0.00 -0.79 -4.66 120.51 114.73 3mh1 n ALA 304 Ca 0.01 -0.53 -0.38 0.00 0.00 0.00 0.00 53.44 52.54 3mh1 n ALA 304 Cb 0.08 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 18.46 3mh1 n ALA 304 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3mh1 s HIS 305 N -1.63 3.81 0.45 0.00 5.04 -0.71 -4.93 115.29 117.33 3mh1 s HIS 305 Ca 0.23 1.77 0.34 0.00 -1.54 0.00 0.00 55.06 55.86 3mh1 s HIS 305 Cb 0.12 -2.89 1.77 0.00 0.04 0.00 0.00 32.58 31.62 3mh1 s HIS 305 CO 0.16 0.34 2.17 0.00 -2.34 0.00 0.00 174.74 175.07 3mh1 h ALA 306 N 3.66 1.17 -1.13 1.58 0.00 -1.91 0.10 119.26 122.73 3mh1 h ALA 306 Ca -0.46 -0.04 0.35 0.00 0.00 0.00 0.00 54.91 54.76 3mh1 h ALA 306 Cb 1.20 -0.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.85 3mh1 h ALA 306 CO 0.66 0.06 0.70 -0.92 0.00 0.00 0.00 179.25 179.75 3mh1 h TYR 307 N 0.00 0.71 -0.58 0.00 3.20 -1.92 -1.40 116.97 116.98 3mh1 h TYR 307 Ca -0.00 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.85 3mh1 h TYR 307 Cb 0.23 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.29 3mh1 h TYR 307 CO 0.00 -0.14 0.06 1.19 -1.64 0.00 0.00 178.16 177.63 3mh1 n PHE 308 N -4.82 2.06 -0.04 -3.82 3.01 0.36 -4.64 117.46 109.57 3mh1 n PHE 308 Ca 0.32 -0.85 0.10 0.00 1.01 0.00 0.00 57.45 58.03 3mh1 n PHE 308 Cb 1.14 -0.53 0.49 0.00 -0.01 0.00 0.00 39.48 40.56 3mh1 n PHE 308 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3mh1 h ALA 309 N 3.50 1.94 -0.02 4.37 0.00 -1.38 0.77 119.26 128.44 3mh1 h ALA 309 Ca 0.06 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 3mh1 h ALA 309 Cb 2.01 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.69 3mh1 h ALA 309 CO 0.52 -0.04 -0.29 1.96 0.00 0.00 0.00 179.25 181.41 3mh1 h GLN 310 N 0.42 0.03 0.00 0.00 1.08 -1.83 -3.35 115.11 111.46 3mh1 h GLN 310 Ca 0.23 -0.01 -0.22 0.00 -1.45 0.00 0.00 58.65 57.20 3mh1 h GLN 310 Cb 0.36 -0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.75 3mh1 h GLN 310 CO -0.06 0.32 -1.82 0.66 -0.95 0.00 0.00 178.83 176.98 3mh1 n TYR 311 N -4.19 0.00 -1.66 2.96 4.02 0.82 -5.03 117.16 114.08 3mh1 n TYR 311 Ca -0.02 0.00 -0.46 0.00 -0.01 0.00 0.00 57.90 57.41 3mh1 n TYR 311 Cb 0.34 -0.58 -0.04 0.00 -0.02 0.00 0.00 39.34 39.05 3mh1 n TYR 311 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 176.86 177.43 3mh1 n HIS 312 N -2.66 2.18 -3.48 -0.72 -0.00 0.23 -4.97 115.22 105.80 3mh1 n HIS 312 Ca -0.22 0.35 -0.22 0.00 0.46 0.00 0.00 57.72 58.09 3mh1 n HIS 312 Cb 0.84 -2.50 -0.13 0.00 -0.12 0.00 0.00 29.99 28.08 3mh1 n HIS 312 CO 0.00 0.00 0.00 0.34 0.46 0.00 0.00 176.34 177.14 3mh1 s ASP 313 N 0.66 2.27 0.63 0.26 2.15 -1.26 -4.97 116.67 116.40 3mh1 s ASP 313 Ca 0.75 -0.80 0.35 0.00 0.43 0.00 0.00 52.55 53.28 3mh1 s ASP 313 Cb -0.69 0.14 1.88 0.00 -0.30 0.00 0.00 42.92 43.96 3mh1 s ASP 313 CO 0.43 -0.39 2.05 1.55 -0.17 0.00 0.00 175.17 178.64 3mh1 h PRO 314 N 8.33 0.00 -0.14 4.34 0.13 -1.97 0.38 132.00 143.07 3mh1 h PRO 314 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 3mh1 h PRO 314 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 3mh1 h PRO 314 CO 0.35 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.87 3mh1 n ASP 315 N -2.88 2.04 -2.55 1.44 10.43 -1.26 -4.12 116.55 119.65 3mh1 n ASP 315 Ca -0.02 -1.72 -0.11 0.00 2.57 0.00 0.00 54.79 55.50 3mh1 n ASP 315 Cb 0.23 -0.08 0.03 0.00 1.84 0.00 0.00 41.12 43.14 3mh1 n ASP 315 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 3mh1 n ASP 316 N 0.57 2.80 -3.23 -2.24 4.64 0.12 -4.89 116.55 114.33 3mh1 n ASP 316 Ca 0.17 -2.81 -0.24 0.00 -1.38 0.00 0.00 54.79 50.53 3mh1 n ASP 316 Cb 0.41 -0.45 -0.07 0.00 -1.04 0.00 0.00 41.12 39.97 3mh1 n ASP 316 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 3mh1 n GLU 317 N -0.51 1.00 -1.78 -0.67 1.02 -1.23 -4.87 120.64 113.61 3mh1 n GLU 317 Ca 0.21 -3.45 -0.31 0.00 -0.02 0.00 0.00 57.16 53.60 3mh1 n GLU 317 Cb 0.83 -1.38 0.04 0.00 -0.02 0.00 0.00 31.44 30.91 3mh1 n GLU 317 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3mh1 s PRO 318 N -1.39 3.03 0.44 3.49 0.04 -1.26 -4.97 135.00 134.38 3mh1 s PRO 318 Ca 0.36 0.68 0.07 0.00 0.04 0.00 0.00 61.00 62.14 3mh1 s PRO 318 Cb 0.17 -2.02 -0.03 0.00 0.04 0.00 0.00 34.50 32.65 3mh1 s PRO 318 CO -0.09 -0.96 0.22 0.14 0.04 0.00 0.00 177.00 176.34 3mh1 s VAL 319 N -3.21 2.14 0.11 -0.36 -7.23 -1.26 -4.19 120.40 106.39 3mh1 s VAL 319 Ca 0.57 -1.66 0.03 0.00 -1.81 0.00 0.00 61.98 59.11 3mh1 s VAL 319 Cb -0.12 -2.80 -0.04 0.00 0.56 0.00 0.00 36.38 33.98 3mh1 s VAL 319 CO 0.53 0.00 0.14 0.00 -0.31 0.00 0.00 175.10 175.46 3mh1 s ALA 320 N -2.64 3.66 0.28 1.32 0.00 -1.26 -5.03 121.76 118.09 3mh1 s ALA 320 Ca 0.38 -1.07 -0.29 0.00 0.00 0.00 0.00 51.96 50.98 3mh1 s ALA 320 Cb 0.02 -1.49 -0.13 0.00 0.00 0.00 0.00 23.12 21.52 3mh1 s ALA 320 CO 0.21 0.65 1.23 -0.25 0.00 0.00 0.00 175.76 177.60 3mh1 n ASP 321 N 0.05 2.18 -4.75 0.00 8.00 -1.26 -4.65 116.55 116.12 3mh1 n ASP 321 Ca -0.08 1.17 -0.41 0.00 0.71 0.00 0.00 54.79 56.19 3mh1 n ASP 321 Cb 0.53 -1.38 0.01 0.00 -0.02 0.00 0.00 41.12 40.26 3mh1 n ASP 321 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 3mh1 n PRO 322 N 1.15 2.31 -4.10 -0.24 -0.04 -1.26 -4.68 135.00 128.15 3mh1 n PRO 322 Ca 0.09 0.82 -0.35 0.00 -0.04 0.00 0.00 63.50 64.02 3mh1 n PRO 322 Cb 0.32 -2.57 -0.12 0.00 -0.04 0.00 0.00 33.50 31.09 3mh1 n PRO 322 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 3mh1 s TYR 323 N -1.16 3.08 -0.54 0.54 5.04 -1.21 -5.06 117.35 118.03 3mh1 s TYR 323 Ca 0.58 -0.32 -0.24 0.00 -2.44 0.00 0.00 57.07 54.65 3mh1 s TYR 323 Cb -0.48 -2.07 0.04 0.00 0.35 0.00 0.00 41.96 39.80 3mh1 s TYR 323 CO 0.60 -0.14 0.94 0.34 -1.34 0.00 0.00 175.55 175.95 3mh1 s ASP 324 N 0.82 6.36 -0.25 4.32 2.15 -1.26 -4.85 116.67 123.95 3mh1 s ASP 324 Ca 0.01 -0.27 0.11 0.00 0.43 0.00 0.00 52.55 52.83 3mh1 s ASP 324 Cb -0.14 -2.44 0.48 0.00 -0.30 0.00 0.00 42.92 40.52 3mh1 s ASP 324 CO 0.02 -1.20 1.40 0.00 -0.17 0.00 0.00 175.17 175.23 3mh1 n GLN 325 N 7.42 1.94 0.20 4.34 10.64 -1.26 -4.67 117.38 135.99 3mh1 n GLN 325 Ca 0.02 -3.10 0.04 0.00 -1.83 0.00 0.00 57.00 52.13 3mh1 n GLN 325 Cb 0.48 -1.77 0.42 0.00 -0.86 0.00 0.00 30.24 28.50 3mh1 n GLN 325 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 3mh1 h SER 326 N 1.05 0.00 -0.69 2.61 4.64 -2.01 -1.87 113.55 117.28 3mh1 h SER 326 Ca 0.14 0.00 0.20 0.00 -0.47 0.00 0.00 61.79 61.66 3mh1 h SER 326 Cb 1.50 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.56 3mh1 h SER 326 CO 0.29 0.32 0.51 2.19 -0.87 0.00 0.00 176.83 179.27 3mh1 h PHE 327 N 0.00 0.00 -0.14 4.77 -5.15 -1.98 0.93 116.94 115.37 3mh1 h PHE 327 Ca -0.00 0.00 0.04 0.00 -0.20 0.00 0.00 57.97 57.81 3mh1 h PHE 327 Cb 0.60 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.77 3mh1 h PHE 327 CO 0.00 0.00 0.24 0.93 -2.00 0.00 0.00 178.31 177.48 3mh1 h GLU 328 N 0.00 0.00 -0.93 6.09 4.39 -1.71 -1.91 114.58 120.51 3mh1 h GLU 328 Ca 0.33 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 59.72 3mh1 h GLU 328 Cb 1.35 0.00 -0.18 0.00 -0.10 0.00 0.00 28.75 29.82 3mh1 h GLU 328 CO -0.00 0.00 0.39 0.43 -1.16 0.00 0.00 179.01 178.67 3mh1 n SER 329 N -3.44 3.82 -4.18 1.42 7.64 0.32 -4.93 113.62 114.27 3mh1 n SER 329 Ca 0.01 -3.12 -0.21 0.00 1.01 0.00 0.00 58.87 56.56 3mh1 n SER 329 Cb 0.34 -0.73 -0.13 0.00 -1.01 0.00 0.00 64.21 62.68 3mh1 n SER 329 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3mh1 s ARG 330 N -2.49 0.99 -0.34 1.43 0.52 -0.72 -5.10 118.95 113.24 3mh1 s ARG 330 Ca 0.43 -0.88 -0.05 0.00 -0.52 0.00 0.00 55.73 54.71 3mh1 s ARG 330 Cb 0.36 -1.05 0.05 0.00 0.52 0.00 0.00 34.95 34.83 3mh1 s ARG 330 CO 0.09 0.25 0.10 -0.51 0.02 0.00 0.00 175.30 175.26 3mh1 s ASP 331 N -1.39 5.25 0.31 0.23 1.01 -1.26 -5.07 116.67 115.75 3mh1 s ASP 331 Ca 0.02 -1.25 0.05 0.00 0.71 0.00 0.00 52.55 52.09 3mh1 s ASP 331 Cb -0.09 -1.84 -0.06 0.00 1.01 0.00 0.00 42.92 41.94 3mh1 s ASP 331 CO 0.02 -0.34 0.00 -0.76 0.21 0.00 0.00 175.17 174.30 3mh1 s LEU 332 N 1.36 2.36 0.49 1.23 1.43 -1.26 -5.13 118.68 119.16 3mh1 s LEU 332 Ca -0.01 -1.29 -0.20 0.00 -1.03 0.00 0.00 54.13 51.60 3mh1 s LEU 332 Cb -0.20 -0.52 -0.09 0.00 0.03 0.00 0.00 46.19 45.41 3mh1 s LEU 332 CO 0.02 -0.48 1.01 -0.76 0.23 0.00 0.00 176.35 176.37 3mh1 s LEU 333 N -3.48 3.82 0.19 1.79 1.43 -1.26 -4.85 118.68 116.32 3mh1 s LEU 333 Ca 0.33 1.83 -0.12 0.00 -1.03 0.00 0.00 54.13 55.14 3mh1 s LEU 333 Cb 0.07 -4.55 0.21 0.00 0.03 0.00 0.00 46.19 41.95 3mh1 s LEU 333 CO 0.14 -0.70 1.72 0.40 0.23 0.00 0.00 176.35 178.13 3mh1 h ILE 334 N 1.48 0.71 0.00 -0.59 2.04 -1.94 0.20 117.51 119.41 3mh1 h ILE 334 Ca -0.49 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 65.28 3mh1 h ILE 334 Cb 1.21 0.44 -0.00 0.00 -0.74 0.00 0.00 36.82 37.73 3mh1 h ILE 334 CO 0.60 0.05 -0.03 0.44 0.00 0.00 0.00 178.15 179.20 3mh1 h ASP 335 N 0.25 0.00 0.06 1.72 3.45 -1.98 0.10 116.42 120.02 3mh1 h ASP 335 Ca 0.26 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.72 3mh1 h ASP 335 Cb 0.35 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.12 3mh1 h ASP 335 CO -0.34 0.03 -0.03 -0.33 -1.57 0.00 0.00 179.24 177.01 3mh1 h GLU 336 N 0.00 -0.07 -0.88 3.56 5.08 -1.06 -1.36 114.58 119.85 3mh1 h GLU 336 Ca -0.00 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.44 3mh1 h GLU 336 Cb 0.08 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.29 3mh1 h GLU 336 CO 0.00 0.50 0.57 -1.49 -1.00 0.00 0.00 179.01 177.59 3mh1 h TRP 337 N -0.72 0.99 -0.04 4.33 -0.00 -0.74 -0.73 115.95 119.03 3mh1 h TRP 337 Ca -0.01 0.03 -0.20 0.00 -0.00 0.00 0.00 58.89 58.71 3mh1 h TRP 337 Cb 0.61 -0.32 -0.00 0.00 -0.00 0.00 0.00 29.16 29.44 3mh1 h TRP 337 CO 0.13 0.50 -0.81 1.57 -0.00 0.00 0.00 178.44 179.83 3mh1 h LYS 338 N 0.96 0.37 -0.37 0.49 2.10 -0.81 -1.50 116.57 117.80 3mh1 h LYS 338 Ca 0.38 -0.35 -0.09 0.00 -2.00 0.00 0.00 60.65 58.60 3mh1 h LYS 338 Cb 0.25 0.08 -0.01 0.00 -0.90 0.00 0.00 32.23 31.65 3mh1 h LYS 338 CO -0.15 1.01 -0.12 1.03 -2.00 0.00 0.00 179.45 179.22 3mh1 h SER 339 N 0.24 0.75 -0.91 7.07 0.87 -0.56 -1.15 113.55 119.85 3mh1 h SER 339 Ca -0.05 -0.38 0.06 0.00 -1.23 0.00 0.00 61.79 60.19 3mh1 h SER 339 Cb 1.41 -0.20 -0.06 0.00 -0.44 0.00 0.00 62.40 63.11 3mh1 h SER 339 CO 0.14 0.95 0.60 -0.07 -0.53 0.00 0.00 176.83 177.92 3mh1 h LEU 340 N 0.53 0.94 -0.63 2.23 3.38 -1.01 -1.68 115.31 119.07 3mh1 h LEU 340 Ca 0.09 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.92 3mh1 h LEU 340 Cb 0.64 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 3mh1 h LEU 340 CO 0.04 0.61 -0.52 0.74 0.09 0.00 0.00 178.44 179.41 3mh1 h THR 341 N 1.07 1.33 -0.09 0.22 2.02 -0.96 -2.74 112.91 113.76 3mh1 h THR 341 Ca 0.38 -1.77 -0.00 0.00 0.77 0.00 0.00 66.41 65.80 3mh1 h THR 341 Cb 0.14 1.78 -0.00 0.00 -1.74 0.00 0.00 68.15 68.33 3mh1 h THR 341 CO -0.14 0.54 0.05 0.22 0.37 0.00 0.00 175.52 176.57 3mh1 h TYR 342 N 0.34 0.12 -0.91 3.16 3.20 -0.68 0.27 116.97 122.48 3mh1 h TYR 342 Ca 0.01 -0.00 0.20 0.00 3.14 0.00 0.00 58.73 62.08 3mh1 h TYR 342 Cb 1.03 -0.04 -0.07 0.00 1.54 0.00 0.00 36.73 39.19 3mh1 h TYR 342 CO 0.03 0.14 0.60 -0.44 -1.64 0.00 0.00 178.16 176.85 3mh1 h ASP 343 N 0.07 0.43 0.39 -2.11 3.32 -1.22 -2.02 116.42 115.28 3mh1 h ASP 343 Ca 0.03 0.05 -0.31 0.00 0.02 0.00 0.00 57.03 56.82 3mh1 h ASP 343 Cb 0.05 -0.03 0.03 0.00 0.22 0.00 0.00 39.33 39.59 3mh1 h ASP 343 CO -0.01 0.17 -1.38 -0.33 -1.72 0.00 0.00 179.24 175.97 3mh1 h GLU 344 N 0.43 0.45 0.10 3.56 4.39 -0.99 -1.02 114.58 121.50 3mh1 h GLU 344 Ca 0.48 -0.76 0.01 0.00 0.34 0.00 0.00 59.36 59.43 3mh1 h GLU 344 Cb 1.16 0.28 -0.02 0.00 -0.10 0.00 0.00 28.75 30.07 3mh1 h GLU 344 CO -0.19 1.36 -0.14 0.28 -1.16 0.00 0.00 179.01 179.16 3mh1 h VAL 345 N 0.13 0.67 -0.86 3.13 2.07 -0.70 -2.81 116.25 117.88 3mh1 h VAL 345 Ca -0.21 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 3mh1 h VAL 345 Cb 2.08 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 32.48 3mh1 h VAL 345 CO 0.25 0.00 0.45 0.40 0.02 0.00 0.00 177.57 178.69 3mh1 h ILE 346 N -0.29 1.26 -0.12 4.57 5.03 -1.37 -2.07 117.51 124.51 3mh1 h ILE 346 Ca 0.02 -0.67 0.00 0.00 -0.12 0.00 0.00 64.86 64.09 3mh1 h ILE 346 Cb 0.30 0.12 0.00 0.00 -3.03 0.00 0.00 36.82 34.21 3mh1 h ILE 346 CO -0.07 0.30 0.00 -1.54 -0.68 0.00 0.00 178.15 176.16 3mh1 n SER 347 N -4.32 0.84 -4.72 1.72 3.41 -0.39 -4.93 113.62 105.22 3mh1 n SER 347 Ca 0.09 -1.76 -0.42 0.00 -0.26 0.00 0.00 58.87 56.52 3mh1 n SER 347 Cb 0.12 -0.08 -0.03 0.00 -0.26 0.00 0.00 64.21 63.96 3mh1 n SER 347 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3mh1 s PHE 348 N -1.84 3.10 -0.39 7.33 5.36 -0.78 -5.00 117.98 125.75 3mh1 s PHE 348 Ca 0.21 0.73 -0.08 0.00 -0.96 0.00 0.00 56.93 56.84 3mh1 s PHE 348 Cb 0.11 -3.83 0.06 0.00 -0.34 0.00 0.00 43.02 39.02 3mh1 s PHE 348 CO 0.16 -3.04 0.21 0.08 -1.46 0.00 0.00 175.22 171.17 3mh1 s VAL 349 N 1.22 4.11 0.76 3.12 1.01 -1.26 -5.07 120.40 124.29 3mh1 s VAL 349 Ca 0.68 -1.31 -0.15 0.00 0.00 0.00 0.00 61.98 61.20 3mh1 s VAL 349 Cb -0.41 -3.46 0.01 0.00 0.00 0.00 0.00 36.38 32.52 3mh1 s VAL 349 CO 0.31 -0.41 0.78 -0.81 0.00 0.00 0.00 175.10 174.97 3mh1 n PRO 350 N 4.88 0.28 -1.05 2.72 -0.04 -1.26 -4.99 135.00 135.54 3mh1 n PRO 350 Ca -0.10 0.15 -0.29 0.00 -0.04 0.00 0.00 63.50 63.22 3mh1 n PRO 350 Cb 0.44 -2.07 0.18 0.00 -0.04 0.00 0.00 33.50 32.01 3mh1 n PRO 350 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 3mh1 s PRO 351 N -3.28 0.39 0.00 0.54 0.02 -1.26 -5.15 135.00 126.26 3mh1 s PRO 351 Ca 0.68 0.67 0.00 0.00 0.02 0.00 0.00 61.00 62.38 3mh1 s PRO 351 Cb -0.32 -1.72 0.00 0.00 0.02 0.00 0.00 34.50 32.48 3mh1 s PRO 351 CO 0.55 -2.80 0.05 -0.35 -0.33 0.00 0.00 177.00 174.13