#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hsm s GLN 12 N 0.00 1.26 0.10 5.55 -0.21 -1.26 -5.04 119.66 120.05 3hsm s GLN 12 Ca 0.00 -1.29 0.04 0.00 0.02 0.00 0.00 55.36 54.12 3hsm s GLN 12 Cb 0.00 -1.53 -0.04 0.00 1.00 0.00 0.00 33.01 32.44 3hsm s GLN 12 CO 0.00 0.35 0.08 -0.06 -2.12 0.00 0.00 175.29 173.54 3hsm s PHE 13 N -1.39 3.16 0.01 0.91 0.08 -1.26 -0.64 117.98 118.86 3hsm s PHE 13 Ca 0.12 0.05 -0.17 0.00 0.12 0.00 0.00 56.93 57.05 3hsm s PHE 13 Cb -0.09 -1.59 -0.06 0.00 -0.57 0.00 0.00 43.02 40.71 3hsm s PHE 13 CO 0.06 0.52 0.47 -0.51 -0.10 0.00 0.00 175.22 175.65 3hsm s LEU 14 N -2.51 4.47 0.09 -0.37 1.43 -0.79 -4.83 118.68 116.19 3hsm s LEU 14 Ca 0.29 1.04 0.03 0.00 -1.03 0.00 0.00 54.13 54.47 3hsm s LEU 14 Cb -0.12 -2.69 -0.04 0.00 0.03 0.00 0.00 46.19 43.37 3hsm s LEU 14 CO 0.22 0.28 -0.09 -0.13 0.23 0.00 0.00 176.35 176.85 3hsm s ARG 15 N -0.92 0.82 0.66 1.70 0.52 -1.26 -0.18 118.95 120.29 3hsm s ARG 15 Ca 0.26 -1.16 -0.17 0.00 -0.52 0.00 0.00 55.73 54.14 3hsm s ARG 15 Cb -0.17 -0.45 0.00 0.00 0.52 0.00 0.00 34.95 34.84 3hsm s ARG 15 CO 0.15 0.06 1.20 0.95 0.02 0.00 0.00 175.30 177.68 3hsm s THR 16 N -2.58 2.51 0.00 0.02 -4.23 0.13 -2.23 115.64 109.26 3hsm s THR 16 Ca 0.05 0.28 0.00 0.00 -1.18 0.00 0.00 61.69 60.85 3hsm s THR 16 Cb -0.02 -2.96 0.00 0.00 1.34 0.00 0.00 72.50 70.86 3hsm s THR 16 CO -0.01 -0.11 0.00 0.47 -0.54 0.00 0.00 174.62 174.44 3hsm n ASP 17 N -2.17 -0.49 -4.83 3.99 9.92 0.91 -4.37 116.55 119.51 3hsm n ASP 17 Ca 0.13 0.00 -0.37 0.00 -0.53 0.00 0.00 54.79 54.02 3hsm n ASP 17 Cb 0.50 -0.08 -0.06 0.00 -0.64 0.00 0.00 41.12 40.84 3hsm n ASP 17 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 3hsm s ASP 18 N -2.78 6.94 -0.19 -2.24 1.01 -0.95 -4.87 116.67 113.59 3hsm s ASP 18 Ca 0.00 1.16 -0.16 0.00 0.71 0.00 0.00 52.55 54.26 3hsm s ASP 18 Cb 0.00 -2.32 -0.04 0.00 1.01 0.00 0.00 42.92 41.57 3hsm s ASP 18 CO 0.00 0.21 0.38 -1.61 0.21 0.00 0.00 175.17 174.36 3hsm s GLU 19 N -1.44 4.19 0.25 8.23 8.01 -1.26 -1.73 118.70 134.94 3hsm s GLU 19 Ca 0.32 0.18 0.01 0.00 0.01 0.00 0.00 54.97 55.49 3hsm s GLU 19 Cb -0.17 -3.52 -0.04 0.00 -4.31 0.00 0.00 34.13 26.08 3hsm s GLU 19 CO 0.18 0.00 0.12 0.14 0.01 0.00 0.00 175.26 175.72 3hsm s VAL 20 N 1.18 0.32 0.05 2.63 -7.23 0.29 -2.83 120.40 114.80 3hsm s VAL 20 Ca 0.19 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.43 3hsm s VAL 20 Cb -0.14 -2.57 -0.03 0.00 0.56 0.00 0.00 36.38 34.20 3hsm s VAL 20 CO 0.07 0.00 -0.22 0.68 -0.31 0.00 0.00 175.10 175.32 3hsm s VAL 21 N -3.85 1.79 -0.30 1.32 -7.23 -0.52 -0.39 120.40 111.22 3hsm s VAL 21 Ca 0.38 -1.26 -0.10 0.00 -1.81 0.00 0.00 61.98 59.19 3hsm s VAL 21 Cb 0.07 -1.55 -0.01 0.00 0.56 0.00 0.00 36.38 35.44 3hsm s VAL 21 CO 0.14 0.24 0.15 -0.76 -0.31 0.00 0.00 175.10 174.56 3hsm s LEU 22 N -1.22 4.03 0.16 1.32 1.43 -1.26 -2.15 118.68 120.99 3hsm s LEU 22 Ca 0.09 -0.44 0.10 0.00 -1.03 0.00 0.00 54.13 52.85 3hsm s LEU 22 Cb -0.09 -2.01 -0.04 0.00 0.03 0.00 0.00 46.19 44.08 3hsm s LEU 22 CO 0.02 -0.16 -0.24 -1.10 0.23 0.00 0.00 176.35 175.10 3hsm s GLN 23 N 1.63 1.38 0.33 1.70 -0.21 -0.65 0.23 119.66 124.07 3hsm s GLN 23 Ca 0.05 -1.40 0.05 0.00 0.02 0.00 0.00 55.36 54.08 3hsm s GLN 23 Cb -0.17 -1.72 -0.02 0.00 1.00 0.00 0.00 33.01 32.10 3hsm s GLN 23 CO 0.06 0.38 0.32 0.00 -2.12 0.00 0.00 175.29 173.94 3hsm s SER 25 N -3.34 3.49 -0.01 0.00 0.01 -1.26 -1.56 113.70 111.04 3hsm s SER 25 Ca 0.38 -0.35 -0.00 0.00 1.31 0.00 0.00 55.95 57.29 3hsm s SER 25 Cb 0.02 -0.61 -0.00 0.00 0.21 0.00 0.00 66.02 65.64 3hsm s SER 25 CO 0.26 0.32 -0.01 0.00 0.41 0.00 0.00 173.24 174.22 3hsm h ALA 26 N 5.48 0.00 0.00 1.44 0.00 -1.96 -3.49 119.26 120.73 3hsm h ALA 26 Ca -0.44 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.22 3hsm h ALA 26 Cb 1.14 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3hsm h ALA 26 CO 0.49 0.02 0.00 -2.37 0.00 0.00 0.00 179.25 177.39 3hsm n THR 27 N -2.34 0.00 0.00 0.00 5.66 -1.26 -5.18 114.28 111.16 3hsm n THR 27 Ca -0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 3hsm n THR 27 Cb 0.01 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.79 3hsm n THR 27 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 3hsm n VAL 28 N 0.00 0.00 -1.45 1.08 0.31 -1.26 -5.17 118.33 111.84 3hsm n VAL 28 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3hsm n VAL 28 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3hsm n VAL 28 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 3hsm n LEU 33 N 0.00 -1.32 -4.21 7.52 0.00 -1.26 -5.12 117.00 112.62 3hsm n LEU 33 Ca 0.00 2.09 -0.12 0.00 0.00 0.00 0.00 56.01 57.98 3hsm n LEU 33 Cb 0.00 -2.73 -0.10 0.00 0.00 0.00 0.00 43.42 40.59 3hsm n LEU 33 CO 0.00 -0.29 -0.33 -0.54 0.00 0.00 0.00 177.39 176.23 3hsm s LYS 34 N -4.49 1.02 -0.11 1.96 1.02 -1.14 -4.72 119.74 113.27 3hsm s LYS 34 Ca 0.00 -1.48 -0.02 0.00 0.02 0.00 0.00 55.97 54.49 3hsm s LYS 34 Cb 0.00 -0.14 -0.03 0.00 -0.52 0.00 0.00 37.83 37.14 3hsm s LYS 34 CO 0.00 -0.14 -0.02 -0.51 -0.92 0.00 0.00 175.35 173.76 3hsm s LEU 35 N -3.12 3.40 -0.14 3.17 1.43 -0.60 -1.11 118.68 121.71 3hsm s LEU 35 Ca 0.22 0.01 -0.02 0.00 -1.03 0.00 0.00 54.13 53.31 3hsm s LEU 35 Cb 0.06 -1.79 -0.03 0.00 0.03 0.00 0.00 46.19 44.47 3hsm s LEU 35 CO 0.02 0.29 -0.06 0.00 0.23 0.00 0.00 176.35 176.83 3hsm s LEU 37 N 0.15 4.36 0.15 0.00 2.96 0.14 -1.38 118.68 125.05 3hsm s LEU 37 Ca -0.02 2.88 -0.08 0.00 -0.22 0.00 0.00 54.13 56.69 3hsm s LEU 37 Cb -0.14 -3.63 -0.01 0.00 0.50 0.00 0.00 46.19 42.90 3hsm s LEU 37 CO 0.03 -0.85 0.23 0.00 -1.32 0.00 0.00 176.35 174.45 3hsm s ALA 38 N -0.12 0.11 -0.21 5.97 0.00 0.13 -4.55 121.76 123.09 3hsm s ALA 38 Ca 0.61 -0.94 -0.29 0.00 0.00 0.00 0.00 51.96 51.34 3hsm s ALA 38 Cb -0.46 0.80 0.14 0.00 0.00 0.00 0.00 23.12 23.60 3hsm s ALA 38 CO 0.48 -0.60 1.09 0.00 0.00 0.00 0.00 175.76 176.74 3hsm s ALA 39 N -3.96 -1.99 -0.13 0.00 0.00 -0.70 -0.00 121.76 114.98 3hsm s ALA 39 Ca 0.16 1.70 -0.07 0.00 0.00 0.00 0.00 51.96 53.75 3hsm s ALA 39 Cb 0.04 -1.06 -0.04 0.00 0.00 0.00 0.00 23.12 22.07 3hsm s ALA 39 CO -0.01 -0.27 -0.04 0.93 0.00 0.00 0.00 175.76 176.37 3hsm h GLU 40 N 2.83 0.00 0.00 0.00 5.08 -1.82 -3.41 114.58 117.26 3hsm h GLU 40 Ca -0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 3hsm h GLU 40 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 3hsm h GLU 40 CO 0.25 0.10 0.00 0.41 -1.00 0.00 0.00 179.01 178.77 3hsm n GLY 41 N 1.68 0.60 2.45 -3.84 0.00 -0.62 -4.49 105.19 100.97 3hsm n GLY 41 Ca -0.05 -0.70 -0.19 0.00 0.00 0.00 0.00 46.02 45.08 3hsm n GLY 41 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3hsm n PHE 42 N -2.64 1.35 0.00 1.61 3.01 -1.26 -4.81 117.46 114.72 3hsm n PHE 42 Ca 0.00 -3.60 0.00 0.00 1.01 0.00 0.00 57.45 54.86 3hsm n PHE 42 Cb 0.00 -0.40 0.00 0.00 -0.01 0.00 0.00 39.48 39.07 3hsm n PHE 42 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3hsm n GLY 43 N 0.06 1.81 3.23 1.37 0.00 -1.26 -5.07 105.19 105.33 3hsm n GLY 43 Ca 0.24 -0.39 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 3hsm n GLY 43 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hsm s ASN 44 N -0.43 4.01 -0.01 1.61 2.47 -1.26 -4.99 114.94 116.33 3hsm s ASN 44 Ca 0.00 -0.60 0.21 0.00 0.42 0.00 0.00 52.86 52.89 3hsm s ASN 44 Cb 0.00 -1.65 -0.27 0.00 -1.45 0.00 0.00 41.25 37.87 3hsm s ASN 44 CO 0.00 -0.05 0.71 0.54 -3.72 0.00 0.00 177.10 174.58 3hsm n ARG 45 N 4.72 0.34 -2.30 0.43 1.74 -1.26 -1.59 116.66 118.73 3hsm n ARG 45 Ca -0.18 -0.09 -0.41 0.00 -0.77 0.00 0.00 57.85 56.40 3hsm n ARG 45 Cb 0.49 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.40 3hsm n ARG 45 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3hsm s LEU 46 N -3.65 4.47 0.59 0.55 1.43 -1.26 -0.24 118.68 120.56 3hsm s LEU 46 Ca 0.01 2.40 -0.13 0.00 -1.03 0.00 0.00 54.13 55.38 3hsm s LEU 46 Cb 0.15 -3.62 -0.05 0.00 0.03 0.00 0.00 46.19 42.69 3hsm s LEU 46 CO 0.88 -0.38 1.02 0.00 0.23 0.00 0.00 176.35 178.10 3hsm n PHE 48 N -2.38 -0.91 -4.43 0.00 -1.74 1.00 -4.73 117.46 104.26 3hsm n PHE 48 Ca 0.06 -1.61 -0.33 0.00 -0.56 0.00 0.00 57.45 55.02 3hsm n PHE 48 Cb 0.54 0.30 -0.10 0.00 1.52 0.00 0.00 39.48 41.74 3hsm n PHE 48 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 3hsm s LEU 49 N 0.00 3.26 -0.20 5.98 1.43 -1.26 -0.70 118.68 127.19 3hsm s LEU 49 Ca 0.21 -0.09 0.01 0.00 -1.03 0.00 0.00 54.13 53.23 3hsm s LEU 49 Cb -0.00 -1.85 0.05 0.00 0.03 0.00 0.00 46.19 44.42 3hsm s LEU 49 CO 0.15 0.29 -0.08 -0.70 0.23 0.00 0.00 176.35 176.24 3hsm s GLU 50 N -1.36 1.86 0.33 1.70 2.56 -0.48 -4.91 118.70 118.41 3hsm s GLU 50 Ca 0.17 -0.85 -0.27 0.00 0.00 0.00 0.00 54.97 54.03 3hsm s GLU 50 Cb -0.11 -2.41 -0.09 0.00 2.00 0.00 0.00 34.13 33.51 3hsm s GLU 50 CO 0.07 -0.47 1.03 -1.25 -0.56 0.00 0.00 175.26 174.08 3hsm s PRO 51 N 1.42 4.46 0.27 4.30 0.04 -1.26 -0.40 135.00 143.83 3hsm s PRO 51 Ca -0.02 1.56 0.01 0.00 0.04 0.00 0.00 61.00 62.58 3hsm s PRO 51 Cb -0.17 -2.86 -0.00 0.00 0.04 0.00 0.00 34.50 31.51 3hsm s PRO 51 CO -0.08 0.11 0.34 0.25 0.04 0.00 0.00 177.00 177.67 3hsm n THR 52 N 0.58 0.00 0.00 1.26 -2.24 -0.27 -4.94 114.28 108.67 3hsm n THR 52 Ca 0.02 -1.54 0.00 0.00 -2.27 0.00 0.00 64.05 60.25 3hsm n THR 52 Cb 0.48 0.89 0.00 0.00 -2.10 0.00 0.00 70.33 69.60 3hsm n THR 52 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3hsm n ASP 61 N -1.80 0.00 -0.23 3.42 2.03 -1.26 -2.88 116.55 115.83 3hsm n ASP 61 Ca 0.02 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.30 3hsm n ASP 61 Cb 0.47 0.00 0.08 0.00 -0.72 0.00 0.00 41.12 40.94 3hsm n ASP 61 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 3hsm h LEU 62 N 0.00 0.65 -1.66 -2.67 3.38 -2.01 -1.45 115.31 111.55 3hsm h LEU 62 Ca 0.00 0.01 0.31 0.00 0.09 0.00 0.00 57.88 58.29 3hsm h LEU 62 Cb 0.00 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 40.55 3hsm h LEU 62 CO 0.00 0.44 0.76 0.00 0.09 0.00 0.00 178.44 179.73 3hsm h ALA 63 N 1.30 2.67 0.00 1.53 0.00 -1.98 0.28 119.26 123.06 3hsm h ALA 63 Ca 0.27 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3hsm h ALA 63 Cb 0.06 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3hsm h ALA 63 CO -0.12 -1.06 -1.13 0.44 0.00 0.00 0.00 179.25 177.38 3hsm n ILE 64 N -4.43 0.00 -0.01 0.00 -5.35 -0.78 -4.30 119.36 104.49 3hsm n ILE 64 Ca 0.26 -0.13 0.04 0.00 -0.27 0.00 0.00 62.75 62.65 3hsm n ILE 64 Cb 1.08 0.79 -0.08 0.00 -1.74 0.00 0.00 39.64 39.69 3hsm n ILE 64 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3hsm s PHE 67 N 2.81 2.11 -0.17 0.00 0.40 0.47 -2.10 117.98 121.50 3hsm s PHE 67 Ca 0.52 -0.40 -0.09 0.00 -0.60 0.00 0.00 56.93 56.36 3hsm s PHE 67 Cb -0.21 -1.33 -0.05 0.00 0.51 0.00 0.00 43.02 41.95 3hsm s PHE 67 CO 0.16 0.01 0.13 0.99 0.70 0.00 0.00 175.22 177.21 3hsm s THR 68 N -0.64 5.39 -1.14 0.64 2.01 0.24 -0.55 115.64 121.59 3hsm s THR 68 Ca 0.09 0.18 -0.21 0.00 0.31 0.00 0.00 61.69 62.06 3hsm s THR 68 Cb -0.09 -3.42 0.04 0.00 0.01 0.00 0.00 72.50 69.04 3hsm s THR 68 CO 0.00 0.50 1.64 -0.76 -0.69 0.00 0.00 174.62 175.31 3hsm s LEU 69 N -0.09 3.58 0.07 4.42 1.43 -0.71 -1.13 118.68 126.25 3hsm s LEU 69 Ca 0.10 -1.81 -0.31 0.00 -1.03 0.00 0.00 54.13 51.09 3hsm s LEU 69 Cb -0.11 -2.57 -0.18 0.00 0.03 0.00 0.00 46.19 43.35 3hsm s LEU 69 CO 0.00 -1.59 1.61 -0.33 0.23 0.00 0.00 176.35 176.27 3hsm h GLU 70 N 9.01 -0.69 -3.81 1.70 4.39 -1.58 0.26 114.58 123.86 3hsm h GLU 70 Ca 0.29 0.05 -0.12 0.00 0.34 0.00 0.00 59.36 59.92 3hsm h GLU 70 Cb 0.95 0.16 -0.17 0.00 -0.10 0.00 0.00 28.75 29.59 3hsm h GLU 70 CO 1.41 -0.45 -0.50 -1.14 -1.16 0.00 0.00 179.01 177.17 3hsm s GLN 71 N -5.95 0.63 -0.18 2.33 2.00 -1.23 -4.58 119.66 112.69 3hsm s GLN 71 Ca -0.17 -0.80 -0.04 0.00 -2.00 0.00 0.00 55.36 52.35 3hsm s GLN 71 Cb 0.04 0.25 0.07 0.00 0.80 0.00 0.00 33.01 34.17 3hsm s GLN 71 CO 0.62 -0.16 0.15 0.45 -0.50 0.00 0.00 175.29 175.84 3hsm s SER 72 N -2.28 1.84 0.14 6.67 0.15 -1.26 -0.91 113.70 118.05 3hsm s SER 72 Ca -0.03 -0.39 0.06 0.00 0.70 0.00 0.00 55.95 56.29 3hsm s SER 72 Cb 0.00 0.05 -0.04 0.00 -1.71 0.00 0.00 66.02 64.32 3hsm s SER 72 CO -0.06 -0.33 -0.13 -0.76 1.20 0.00 0.00 173.24 173.16 3hsm s LEU 73 N 2.23 2.47 0.58 3.45 1.43 0.31 -4.90 118.68 124.24 3hsm s LEU 73 Ca 0.04 -0.90 -0.17 0.00 -1.03 0.00 0.00 54.13 52.07 3hsm s LEU 73 Cb -0.16 -0.50 -0.04 0.00 0.03 0.00 0.00 46.19 45.52 3hsm s LEU 73 CO -0.10 -0.21 1.08 -0.94 0.23 0.00 0.00 176.35 176.41 3hsm s SER 74 N -2.80 5.73 0.31 2.29 1.04 -1.26 0.96 113.70 119.97 3hsm s SER 74 Ca 0.13 1.94 0.03 0.00 0.48 0.00 0.00 55.95 58.53 3hsm s SER 74 Cb -0.02 -2.55 0.61 0.00 0.10 0.00 0.00 66.02 64.16 3hsm s SER 74 CO 0.03 -1.20 1.89 0.58 0.98 0.00 0.00 173.24 175.52 3hsm h VAL 75 N 0.69 0.99 0.08 5.02 2.07 -1.95 0.13 116.25 123.28 3hsm h VAL 75 Ca -0.48 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 66.72 3hsm h VAL 75 Cb 1.23 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 3hsm h VAL 75 CO 0.57 0.17 -0.04 -0.09 0.02 0.00 0.00 177.57 178.20 3hsm h ARG 76 N 0.93 -0.10 -0.46 1.57 9.65 -1.98 0.37 114.38 124.36 3hsm h ARG 76 Ca 0.42 0.01 0.03 0.00 -1.10 0.00 0.00 59.98 59.33 3hsm h ARG 76 Cb 0.36 0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 28.93 3hsm h ARG 76 CO -0.18 -0.00 0.26 0.00 2.80 0.00 0.00 179.97 182.85 3hsm h ALA 77 N 0.74 0.59 -0.33 2.80 0.00 -1.74 0.70 119.26 122.02 3hsm h ALA 77 Ca -0.01 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.95 3hsm h ALA 77 Cb 0.15 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 3hsm h ALA 77 CO 0.02 -0.06 0.05 1.25 0.00 0.00 0.00 179.25 180.51 3hsm h LEU 78 N 0.53 -0.02 -1.01 0.00 5.85 -0.33 0.94 115.31 121.28 3hsm h LEU 78 Ca 0.19 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.95 3hsm h LEU 78 Cb 0.04 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 3hsm h LEU 78 CO -0.10 0.02 0.42 1.56 -0.34 0.00 0.00 178.44 180.00 3hsm h GLN 79 N 0.16 1.12 -0.44 1.25 4.20 0.43 -1.90 115.11 119.93 3hsm h GLN 79 Ca 0.16 -0.14 -0.07 0.00 0.06 0.00 0.00 58.65 58.66 3hsm h GLN 79 Cb 0.19 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 3hsm h GLN 79 CO -0.22 0.83 -0.01 0.93 -0.67 0.00 0.00 178.83 179.69 3hsm h GLU 80 N 1.12 0.78 -0.84 1.46 5.08 -0.07 -1.80 114.58 120.31 3hsm h GLU 80 Ca 0.28 -0.26 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 3hsm h GLU 80 Cb 0.05 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.20 3hsm h GLU 80 CO -0.04 0.85 0.41 1.98 -1.00 0.00 0.00 179.01 181.22 3hsm h MET 81 N 0.62 1.20 -0.36 2.33 4.05 -0.53 -2.10 114.93 120.13 3hsm h MET 81 Ca 0.12 -0.17 -0.13 0.00 -0.28 0.00 0.00 59.70 59.25 3hsm h MET 81 Cb 0.51 -0.22 -0.01 0.00 -0.80 0.00 0.00 31.60 31.09 3hsm h MET 81 CO 0.03 0.91 -0.26 -0.07 0.23 0.00 0.00 176.91 177.75 3hsm h LEU 82 N 1.19 0.86 -1.22 3.39 3.38 -1.27 -3.10 115.31 118.54 3hsm h LEU 82 Ca 0.29 -0.44 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 3hsm h LEU 82 Cb 0.10 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3hsm h LEU 82 CO -0.04 1.11 0.16 0.00 0.09 0.00 0.00 178.44 179.77 3hsm h ALA 83 N 0.77 1.38 -0.98 1.53 0.00 -1.14 -3.09 119.26 117.74 3hsm h ALA 83 Ca 0.07 -0.15 -0.75 0.00 0.00 0.00 0.00 54.91 54.07 3hsm h ALA 83 Cb 0.83 -0.20 -0.27 0.00 0.00 0.00 0.00 17.79 18.16 3hsm h ALA 83 CO 0.07 0.46 1.03 0.09 0.00 0.00 0.00 179.25 180.90 3hsm n ASN 84 N -4.33 7.51 -4.55 0.00 3.02 -0.81 -5.11 115.26 110.99 3hsm n ASN 84 Ca 0.04 -3.81 -0.34 0.00 -0.03 0.00 0.00 54.58 50.43 3hsm n ASN 84 Cb 0.18 -1.07 -0.11 0.00 -0.61 0.00 0.00 39.78 38.16 3hsm n ASN 84 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3hsm s THR 85 N -4.96 3.81 0.00 3.41 2.01 -1.17 -4.96 115.64 113.79 3hsm s THR 85 Ca 0.53 -0.42 0.00 0.00 0.31 0.00 0.00 61.69 62.11 3hsm s THR 85 Cb 0.44 -2.60 0.00 0.00 0.01 0.00 0.00 72.50 70.35 3hsm s THR 85 CO -0.39 0.56 0.00 0.61 -0.69 0.00 0.00 174.62 174.71 3hsm n GLY 97 N 2.73 2.08 2.74 4.40 0.00 -1.26 -5.15 105.19 110.73 3hsm n GLY 97 Ca -0.18 -0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.43 3hsm n GLY 97 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3hsm n HIS 98 N 0.00 3.29 -2.72 1.61 8.25 -1.26 -4.30 115.22 120.09 3hsm n HIS 98 Ca 0.00 -2.95 -0.40 0.00 -0.26 0.00 0.00 57.72 54.10 3hsm n HIS 98 Cb 0.00 -0.72 -0.05 0.00 1.12 0.00 0.00 29.99 30.34 3hsm n HIS 98 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3hsm s ARG 99 N -3.85 4.80 0.28 -0.41 1.81 -1.26 -4.67 118.95 115.65 3hsm s ARG 99 Ca 0.48 1.51 -0.29 0.00 -1.72 0.00 0.00 55.73 55.71 3hsm s ARG 99 Cb 0.34 -3.29 -0.10 0.00 -0.45 0.00 0.00 34.95 31.45 3hsm s ARG 99 CO -0.23 0.41 1.11 0.99 -0.68 0.00 0.00 175.30 176.89 3hsm s THR 100 N -0.89 3.46 0.48 0.02 2.01 -1.26 -0.69 115.64 118.77 3hsm s THR 100 Ca 0.43 1.47 -0.22 0.00 0.31 0.00 0.00 61.69 63.68 3hsm s THR 100 Cb -0.26 -3.93 -0.07 0.00 0.01 0.00 0.00 72.50 68.25 3hsm s THR 100 CO 0.32 0.35 1.12 -0.76 -0.69 0.00 0.00 174.62 174.96 3hsm s LEU 101 N -1.48 3.93 0.01 4.42 1.43 0.75 -4.92 118.68 122.81 3hsm s LEU 101 Ca 0.45 2.17 0.04 0.00 -1.03 0.00 0.00 54.13 55.76 3hsm s LEU 101 Cb -0.32 -4.38 -0.01 0.00 0.03 0.00 0.00 46.19 41.51 3hsm s LEU 101 CO 0.41 -0.92 -0.12 -0.76 0.23 0.00 0.00 176.35 175.19 3hsm s LEU 102 N -3.26 2.07 0.37 1.79 1.43 -1.26 -1.64 118.68 118.18 3hsm s LEU 102 Ca 0.66 -0.29 -0.28 0.00 -1.03 0.00 0.00 54.13 53.19 3hsm s LEU 102 Cb -0.24 -0.60 -0.10 0.00 0.03 0.00 0.00 46.19 45.27 3hsm s LEU 102 CO 0.29 0.10 1.43 -0.31 0.23 0.00 0.00 176.35 178.09 3hsm s TYR 103 N -0.47 2.71 0.00 0.29 1.51 -0.17 -1.75 117.35 119.46 3hsm s TYR 103 Ca 0.03 1.25 0.00 0.00 -1.01 0.00 0.00 57.07 57.34 3hsm s TYR 103 Cb -0.06 -3.91 0.00 0.00 -0.11 0.00 0.00 41.96 37.88 3hsm s TYR 103 CO 0.00 -2.66 0.00 0.41 -1.11 0.00 0.00 175.55 172.19 3hsm n GLY 104 N 0.56 3.46 3.83 0.71 0.00 0.98 -0.79 105.19 113.94 3hsm n GLY 104 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 3hsm n GLY 104 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hsm s HIS 105 N -2.87 3.29 -0.18 1.61 3.76 -0.72 -4.55 115.29 115.62 3hsm s HIS 105 Ca 0.00 1.46 -0.08 0.00 -0.15 0.00 0.00 55.06 56.30 3hsm s HIS 105 Cb 0.00 -2.87 -0.04 0.00 1.11 0.00 0.00 32.58 30.78 3hsm s HIS 105 CO 0.00 -0.71 0.08 0.00 -0.85 0.00 0.00 174.74 173.26 3hsm s ALA 106 N -2.64 3.48 0.17 -1.40 0.00 0.27 -1.76 121.76 119.88 3hsm s ALA 106 Ca 0.60 -0.73 0.08 0.00 0.00 0.00 0.00 51.96 51.91 3hsm s ALA 106 Cb -0.12 -1.97 -0.04 0.00 0.00 0.00 0.00 23.12 20.99 3hsm s ALA 106 CO 0.37 0.19 -0.04 0.96 0.00 0.00 0.00 175.76 177.24 3hsm s ILE 107 N 0.31 3.53 -0.20 0.00 -4.36 0.13 -0.53 121.20 120.08 3hsm s ILE 107 Ca 0.04 -1.49 -0.03 0.00 -0.26 0.00 0.00 60.65 58.92 3hsm s ILE 107 Cb -0.12 -2.76 -0.01 0.00 1.25 0.00 0.00 42.46 40.82 3hsm s ILE 107 CO -0.00 -0.10 -0.07 -0.22 0.24 0.00 0.00 174.94 174.79 3hsm s LEU 108 N -2.86 2.77 -0.31 0.37 2.96 -0.09 -2.14 118.68 119.38 3hsm s LEU 108 Ca 0.26 -0.42 -0.09 0.00 -0.22 0.00 0.00 54.13 53.66 3hsm s LEU 108 Cb -0.09 -1.69 -0.01 0.00 0.50 0.00 0.00 46.19 44.90 3hsm s LEU 108 CO 0.17 0.01 0.14 -0.76 -1.32 0.00 0.00 176.35 174.59 3hsm s LEU 109 N 1.30 4.07 -0.20 -0.68 1.43 -1.26 -1.45 118.68 121.90 3hsm s LEU 109 Ca 0.04 -0.54 -0.10 0.00 -1.03 0.00 0.00 54.13 52.50 3hsm s LEU 109 Cb -0.14 -1.99 -0.05 0.00 0.03 0.00 0.00 46.19 44.04 3hsm s LEU 109 CO -0.04 -0.19 0.12 -0.60 0.23 0.00 0.00 176.35 175.87 3hsm s ARG 110 N 1.60 4.14 -0.50 1.70 3.52 -0.28 -1.21 118.95 127.92 3hsm s ARG 110 Ca 0.04 -0.23 -0.28 0.00 -0.13 0.00 0.00 55.73 55.13 3hsm s ARG 110 Cb -0.17 -3.39 0.02 0.00 -1.56 0.00 0.00 34.95 29.85 3hsm s ARG 110 CO 0.06 0.31 1.35 -1.58 -0.81 0.00 0.00 175.30 174.63 3hsm s HIS 111 N 0.32 2.43 0.20 5.12 5.65 0.20 0.80 115.29 130.01 3hsm s HIS 111 Ca 0.08 0.58 -0.13 0.00 0.25 0.00 0.00 55.06 55.83 3hsm s HIS 111 Cb -0.11 -4.39 0.22 0.00 -1.18 0.00 0.00 32.58 27.12 3hsm s HIS 111 CO -0.02 -1.83 1.67 0.00 -0.65 0.00 0.00 174.74 173.91 3hsm h ALA 112 N 10.53 0.50 0.54 1.58 0.00 -1.72 1.26 119.26 131.94 3hsm h ALA 112 Ca -0.26 0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3hsm h ALA 112 Cb 1.09 0.30 0.01 0.00 0.00 0.00 0.00 17.79 19.18 3hsm h ALA 112 CO 1.14 -0.40 -0.26 1.25 0.00 0.00 0.00 179.25 180.99 3hsm h HIS 113 N 0.10 -0.67 0.00 0.00 -0.00 -1.78 -3.29 115.15 109.51 3hsm h HIS 113 Ca 0.27 -0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.62 3hsm h HIS 113 Cb 0.42 0.22 -0.00 0.00 -0.00 0.00 0.00 27.41 28.05 3hsm h HIS 113 CO -0.35 -0.42 -0.03 0.66 -0.00 0.00 0.00 177.93 177.79 3hsm h SER 114 N -0.89 0.00 0.00 3.26 4.64 -1.78 -3.47 113.55 115.32 3hsm h SER 114 Ca -0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 3hsm h SER 114 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 3hsm h SER 114 CO 0.12 0.03 0.00 0.54 -0.87 0.00 0.00 176.83 176.65 3hsm n ARG 115 N -3.12 -0.65 -2.28 4.77 5.12 0.43 -5.01 116.66 115.92 3hsm n ARG 115 Ca 0.02 0.16 -0.20 0.00 -1.93 0.00 0.00 57.85 55.90 3hsm n ARG 115 Cb 0.41 -3.66 0.11 0.00 -1.16 0.00 0.00 32.46 28.15 3hsm n ARG 115 CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 3hsm n MET 116 N -1.64 -0.07 -5.18 5.56 2.81 -1.22 -4.73 117.12 112.66 3hsm n MET 116 Ca 0.00 -2.33 -0.32 0.00 -1.81 0.00 0.00 57.70 53.24 3hsm n MET 116 Cb 0.16 -0.61 -0.15 0.00 -0.71 0.00 0.00 33.22 31.92 3hsm n MET 116 CO 0.00 0.00 0.00 0.71 1.51 0.00 0.00 175.97 178.19 3hsm s TYR 117 N -2.69 2.46 0.03 2.03 1.51 -0.48 0.62 117.35 120.83 3hsm s TYR 117 Ca 0.58 -0.41 -0.30 0.00 -1.01 0.00 0.00 57.07 55.92 3hsm s TYR 117 Cb -0.03 -1.56 -0.08 0.00 -0.11 0.00 0.00 41.96 40.18 3hsm s TYR 117 CO 0.39 -0.01 1.73 -1.17 -1.11 0.00 0.00 175.55 175.37 3hsm s LEU 118 N -0.54 4.37 0.17 -1.29 2.96 -0.35 -0.76 118.68 123.24 3hsm s LEU 118 Ca 0.08 2.47 -0.03 0.00 -0.22 0.00 0.00 54.13 56.43 3hsm s LEU 118 Cb -0.11 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 43.00 3hsm s LEU 118 CO 0.00 -0.94 0.16 -0.94 -1.32 0.00 0.00 176.35 173.31 3hsm s SER 119 N 3.08 0.17 -0.33 3.68 1.04 0.30 -4.43 113.70 117.21 3hsm s SER 119 Ca 0.77 -1.21 -0.17 0.00 0.48 0.00 0.00 55.95 55.83 3hsm s SER 119 Cb -0.39 0.38 -0.01 0.00 0.10 0.00 0.00 66.02 66.10 3hsm s SER 119 CO 0.34 -0.84 0.44 0.00 0.98 0.00 0.00 173.24 174.16 3hsm s LEU 121 N 2.20 2.67 -0.20 0.00 1.43 0.41 -4.82 118.68 120.39 3hsm s LEU 121 Ca 0.16 0.47 0.18 0.00 -1.03 0.00 0.00 54.13 53.90 3hsm s LEU 121 Cb -0.16 -2.85 -0.25 0.00 0.03 0.00 0.00 46.19 42.96 3hsm s LEU 121 CO 0.12 -2.09 0.08 0.35 0.23 0.00 0.00 176.35 175.04 3hsm n THR 122 N -3.33 1.37 -0.63 5.49 -2.24 -1.26 -4.38 114.28 109.29 3hsm n THR 122 Ca 0.11 -0.85 -0.30 0.00 -2.27 0.00 0.00 64.05 60.73 3hsm n THR 122 Cb 0.60 -0.45 0.27 0.00 -2.10 0.00 0.00 70.33 68.65 3hsm n THR 122 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3hsm s THR 123 N -2.51 1.34 -0.30 4.28 -4.23 -1.26 -4.84 115.64 108.13 3hsm s THR 123 Ca -0.10 0.00 -0.16 0.00 -1.18 0.00 0.00 61.69 60.25 3hsm s THR 123 Cb 0.06 -2.23 0.18 0.00 1.34 0.00 0.00 72.50 71.86 3hsm s THR 123 CO 0.83 0.00 1.15 -0.55 -0.54 0.00 0.00 174.62 175.51 3hsm s SER 124 N -3.44 -0.25 -0.47 3.99 0.15 -1.26 -2.86 113.70 109.56 3hsm s SER 124 Ca 0.70 0.39 0.04 0.00 0.70 0.00 0.00 55.95 57.78 3hsm s SER 124 Cb -0.12 1.14 0.22 0.00 -1.71 0.00 0.00 66.02 65.56 3hsm s SER 124 CO 0.57 -0.06 0.88 0.54 1.20 0.00 0.00 173.24 176.37 3hsm n ARG 125 N 3.59 0.55 0.00 5.44 1.74 -1.26 -5.05 116.66 121.66 3hsm n ARG 125 Ca -0.16 -1.66 0.00 0.00 -0.77 0.00 0.00 57.85 55.26 3hsm n ARG 125 Cb 0.56 -1.18 0.00 0.00 -1.02 0.00 0.00 32.46 30.82 3hsm n ARG 125 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 3hsm n LYS 130 N 2.26 0.00 -0.87 5.56 4.81 -1.26 -5.02 118.16 123.64 3hsm n LYS 130 Ca 0.12 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.52 3hsm n LYS 130 Cb 0.61 0.00 0.27 0.00 0.02 0.00 0.00 35.03 35.93 3hsm n LYS 130 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 3hsm n LEU 131 N 0.00 5.46 -4.22 3.14 4.32 -1.26 -4.91 117.00 119.53 3hsm n LEU 131 Ca 0.00 -2.83 -0.21 0.00 -0.02 0.00 0.00 56.01 52.95 3hsm n LEU 131 Cb 0.00 -0.71 -0.12 0.00 -1.62 0.00 0.00 43.42 40.97 3hsm n LEU 131 CO 0.00 0.72 -0.48 0.00 -1.22 0.00 0.00 177.39 176.41 3hsm s ALA 132 N -2.61 1.45 0.13 -1.18 0.00 -1.26 -4.59 121.76 113.70 3hsm s ALA 132 Ca 0.47 -1.12 0.03 0.00 0.00 0.00 0.00 51.96 51.34 3hsm s ALA 132 Cb 0.37 -0.16 -0.04 0.00 0.00 0.00 0.00 23.12 23.30 3hsm s ALA 132 CO 0.12 0.24 0.21 -0.06 0.00 0.00 0.00 175.76 176.27 3hsm s PHE 133 N -1.28 3.37 0.62 0.00 0.08 -0.54 -4.80 117.98 115.44 3hsm s PHE 133 Ca 0.02 0.10 -0.15 0.00 0.12 0.00 0.00 56.93 57.02 3hsm s PHE 133 Cb -0.10 -1.64 -0.02 0.00 -0.57 0.00 0.00 43.02 40.70 3hsm s PHE 133 CO 0.03 0.53 1.08 -0.51 -0.10 0.00 0.00 175.22 176.25 3hsm s ASP 134 N -2.98 5.47 0.07 1.36 1.01 -1.13 -1.00 116.67 119.47 3hsm s ASP 134 Ca 0.33 1.90 0.10 0.00 0.71 0.00 0.00 52.55 55.59 3hsm s ASP 134 Cb -0.11 -2.54 -0.03 0.00 1.01 0.00 0.00 42.92 41.24 3hsm s ASP 134 CO 0.26 -1.38 -0.27 -0.69 0.21 0.00 0.00 175.17 173.31 3hsm s VAL 135 N -2.41 2.17 -0.83 -1.27 1.01 -1.26 -0.44 120.40 117.37 3hsm s VAL 135 Ca 0.65 -1.52 0.00 0.00 0.00 0.00 0.00 61.98 61.11 3hsm s VAL 135 Cb -0.18 -1.88 0.00 0.00 0.00 0.00 0.00 36.38 34.32 3hsm s VAL 135 CO 0.39 0.27 0.00 0.61 0.00 0.00 0.00 175.10 176.37 3hsm n GLY 136 N 1.48 -0.57 3.86 4.51 0.00 -0.15 -2.07 105.19 112.26 3hsm n GLY 136 Ca -0.17 -0.65 -0.36 0.00 0.00 0.00 0.00 46.02 44.84 3hsm n GLY 136 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hsm s LEU 137 N 0.00 4.39 -0.11 0.99 1.43 0.67 0.11 118.68 126.15 3hsm s LEU 137 Ca 0.00 0.75 0.01 0.00 -1.03 0.00 0.00 54.13 53.86 3hsm s LEU 137 Cb 0.00 -2.75 0.02 0.00 0.03 0.00 0.00 46.19 43.49 3hsm s LEU 137 CO 0.00 0.24 -0.13 -1.58 0.23 0.00 0.00 176.35 175.11 3hsm s GLN 138 N -1.62 2.02 0.13 1.70 0.74 0.06 -4.89 119.66 117.81 3hsm s GLN 138 Ca 0.28 -0.48 -0.28 0.00 0.05 0.00 0.00 55.36 54.93 3hsm s GLN 138 Cb -0.14 -1.81 -0.06 0.00 1.10 0.00 0.00 33.01 32.11 3hsm s GLN 138 CO 0.15 -0.13 1.60 0.93 -0.55 0.00 0.00 175.29 177.30 3hsm h GLU 139 N 7.64 -0.48 -6.01 1.67 5.08 -1.96 -1.28 114.58 119.24 3hsm h GLU 139 Ca -0.32 0.03 -0.60 0.00 -1.00 0.00 0.00 59.36 57.47 3hsm h GLU 139 Cb 1.16 0.11 -0.04 0.00 0.50 0.00 0.00 28.75 30.48 3hsm h GLU 139 CO 0.48 -0.32 -0.42 0.34 -1.00 0.00 0.00 179.01 178.10 3hsm s ASP 140 N -4.84 6.42 -1.16 1.42 2.15 -1.26 -4.59 116.67 114.81 3hsm s ASP 140 Ca -0.16 0.42 -0.04 0.00 0.43 0.00 0.00 52.55 53.20 3hsm s ASP 140 Cb 0.09 -2.02 0.16 0.00 -0.30 0.00 0.00 42.92 40.85 3hsm s ASP 140 CO 0.65 0.13 2.30 0.00 -0.17 0.00 0.00 175.17 178.07 3hsm n ALA 141 N 0.27 6.61 -2.45 3.66 0.00 -1.26 -4.85 120.51 122.50 3hsm n ALA 141 Ca -0.04 -4.09 -0.22 0.00 0.00 0.00 0.00 53.44 49.09 3hsm n ALA 141 Cb 0.51 -2.56 -0.11 0.00 0.00 0.00 0.00 19.45 17.29 3hsm n ALA 141 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3hsm s THR 142 N -2.06 1.88 0.00 0.00 -4.23 -1.26 -5.06 115.64 104.90 3hsm s THR 142 Ca 0.51 -1.95 0.00 0.00 -1.18 0.00 0.00 61.69 59.07 3hsm s THR 142 Cb 0.21 -1.89 0.00 0.00 1.34 0.00 0.00 72.50 72.17 3hsm s THR 142 CO -0.13 -0.31 0.00 0.61 -0.54 0.00 0.00 174.62 174.25 3hsm n GLY 143 N 0.24 -2.84 0.07 3.99 0.00 -1.26 -4.60 105.19 100.79 3hsm n GLY 143 Ca -0.13 -1.74 0.12 0.00 0.00 0.00 0.00 46.02 44.27 3hsm n GLY 143 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hsm n GLU 144 N -0.51 0.41 0.27 1.61 1.02 -1.26 -4.33 120.64 117.86 3hsm n GLU 144 Ca 0.00 0.07 0.12 0.00 -0.02 0.00 0.00 57.16 57.33 3hsm n GLU 144 Cb 0.00 -1.71 0.78 0.00 -0.02 0.00 0.00 31.44 30.49 3hsm n GLU 144 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hsm h ALA 145 N 2.33 1.78 -0.82 0.62 0.00 -1.87 -2.63 119.26 118.66 3hsm h ALA 145 Ca 0.00 -0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.57 3hsm h ALA 145 Cb 0.84 0.00 -0.21 0.00 0.00 0.00 0.00 17.79 18.42 3hsm h ALA 145 CO 0.00 -0.02 0.44 0.00 0.00 0.00 0.00 179.25 179.67 3hsm s TRP 147 N -2.96 1.59 -0.02 0.00 0.52 -1.00 -4.43 118.94 112.64 3hsm s TRP 147 Ca 0.53 -0.32 0.02 0.00 0.02 0.00 0.00 56.10 56.34 3hsm s TRP 147 Cb 0.43 -1.00 0.00 0.00 -1.15 0.00 0.00 33.47 31.76 3hsm s TRP 147 CO 0.12 0.01 -0.05 -1.58 0.02 0.00 0.00 176.95 175.46 3hsm s TRP 148 N -0.55 0.57 -0.01 -1.98 0.52 -0.91 -2.25 118.94 114.33 3hsm s TRP 148 Ca 0.06 -0.12 -0.08 0.00 0.02 0.00 0.00 56.10 55.98 3hsm s TRP 148 Cb -0.07 -0.42 -0.05 0.00 -1.15 0.00 0.00 33.47 31.78 3hsm s TRP 148 CO 0.00 -0.06 0.28 0.95 0.02 0.00 0.00 176.95 178.14 3hsm s THR 149 N 0.19 5.27 -0.17 2.01 -4.23 0.30 0.17 115.64 119.17 3hsm s THR 149 Ca -0.02 0.33 -0.11 0.00 -1.18 0.00 0.00 61.69 60.71 3hsm s THR 149 Cb -0.06 -3.57 -0.05 0.00 1.34 0.00 0.00 72.50 70.16 3hsm s THR 149 CO -0.00 0.45 0.20 -0.04 -0.54 0.00 0.00 174.62 174.69 3hsm s MET 150 N -1.50 4.14 0.04 3.99 1.00 -0.72 -1.40 119.30 124.85 3hsm s MET 150 Ca 0.25 -0.07 0.05 0.00 0.00 0.00 0.00 55.69 55.91 3hsm s MET 150 Cb -0.14 -3.40 -0.02 0.00 0.00 0.00 0.00 34.83 31.27 3hsm s MET 150 CO 0.13 0.33 -0.13 -1.01 0.00 0.00 0.00 175.02 174.34 3hsm s HIS 151 N 0.24 1.17 0.45 -0.03 3.76 0.38 -0.02 115.29 121.25 3hsm s HIS 151 Ca 0.12 -0.37 -0.25 0.00 -0.15 0.00 0.00 55.06 54.42 3hsm s HIS 151 Cb -0.12 -0.69 -0.08 0.00 1.11 0.00 0.00 32.58 32.80 3hsm s HIS 151 CO 0.01 0.03 1.33 -2.14 -0.85 0.00 0.00 174.74 173.12 3hsm s PRO 152 N -1.21 3.70 0.09 8.40 0.02 -1.26 -0.10 135.00 144.64 3hsm s PRO 152 Ca 0.00 2.20 -0.09 0.00 0.02 0.00 0.00 61.00 63.13 3hsm s PRO 152 Cb -0.08 -2.59 -0.20 0.00 0.02 0.00 0.00 34.50 31.66 3hsm s PRO 152 CO 0.01 -0.73 1.21 0.00 -0.33 0.00 0.00 177.00 177.16 3hsm h ALA 153 N 2.26 0.18 -3.09 -1.55 0.00 -1.91 -3.43 119.26 111.72 3hsm h ALA 153 Ca -0.50 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 53.67 3hsm h ALA 153 Cb 1.26 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3hsm h ALA 153 CO 0.61 0.77 0.00 -1.13 0.00 0.00 0.00 179.25 179.50 3hsm n SER 154 N -3.76 0.25 -0.03 0.00 3.41 -1.26 -5.03 113.62 107.19 3hsm n SER 154 Ca -0.10 -0.75 0.15 0.00 -0.26 0.00 0.00 58.87 57.91 3hsm n SER 154 Cb 0.91 0.00 0.82 0.00 -0.26 0.00 0.00 64.21 65.67 3hsm n SER 154 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3hsm n LYS 155 N 0.00 0.75 0.31 4.33 4.76 -1.26 -3.37 118.16 123.68 3hsm n LYS 155 Ca 0.00 -0.06 0.19 0.00 -2.87 0.00 0.00 58.31 55.57 3hsm n LYS 155 Cb 0.00 -1.50 0.96 0.00 -1.84 0.00 0.00 35.03 32.65 3hsm n LYS 155 CO 0.00 0.00 0.00 1.96 -1.37 0.00 0.00 177.40 177.99 3hsm h GLN 156 N 0.15 0.00 -5.65 1.97 1.08 -1.99 -3.41 115.11 107.27 3hsm h GLN 156 Ca 0.00 0.00 -0.51 0.00 -1.45 0.00 0.00 58.65 56.69 3hsm h GLN 156 Cb 0.18 0.00 -0.14 0.00 -0.05 0.00 0.00 27.48 27.47 3hsm h GLN 156 CO 0.00 0.02 -0.70 1.03 -0.95 0.00 0.00 178.83 178.23 3hsm s ARG 157 N -4.00 1.53 0.05 1.46 1.81 -1.22 -5.15 118.95 113.43 3hsm s ARG 157 Ca -0.03 -1.75 -0.14 0.00 -1.72 0.00 0.00 55.73 52.09 3hsm s ARG 157 Cb 0.12 -1.27 0.02 0.00 -0.45 0.00 0.00 34.95 33.37 3hsm s ARG 157 CO 0.48 0.12 0.32 0.45 -0.68 0.00 0.00 175.30 175.99 3hsm s SER 158 N -3.43 -0.15 -0.11 0.23 0.15 -1.26 -4.85 113.70 104.28 3hsm s SER 158 Ca 0.28 -0.17 -0.37 0.00 0.70 0.00 0.00 55.95 56.39 3hsm s SER 158 Cb 0.01 0.37 -0.14 0.00 -1.71 0.00 0.00 66.02 64.55 3hsm s SER 158 CO 0.11 -0.63 1.73 -0.62 1.20 0.00 0.00 173.24 175.04 3hsm n GLU 159 N 0.54 1.66 0.00 5.44 -0.58 -1.26 -1.06 120.64 125.38 3hsm n GLU 159 Ca -0.18 0.61 0.00 0.00 -0.42 0.00 0.00 57.16 57.16 3hsm n GLU 159 Cb 0.60 -2.36 0.00 0.00 -0.57 0.00 0.00 31.44 29.11 3hsm n GLU 159 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hsm n GLY 160 N 3.99 2.91 3.91 0.62 0.00 0.03 -4.96 105.19 111.70 3hsm n GLY 160 Ca 0.23 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.98 3hsm n GLY 160 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hsm s GLU 161 N -0.58 2.56 0.39 1.61 2.02 -0.22 -4.69 118.70 119.79 3hsm s GLU 161 Ca 0.00 0.02 -0.25 0.00 0.02 0.00 0.00 54.97 54.76 3hsm s GLU 161 Cb 0.00 -2.15 -0.09 0.00 0.10 0.00 0.00 34.13 31.99 3hsm s GLU 161 CO 0.00 -1.05 1.09 0.15 0.02 0.00 0.00 175.26 175.47 3hsm s LYS 162 N -5.22 4.14 -0.33 1.61 1.02 -1.26 -1.00 119.74 118.70 3hsm s LYS 162 Ca 0.58 1.62 -0.18 0.00 0.02 0.00 0.00 55.97 58.01 3hsm s LYS 162 Cb -0.11 -2.61 -0.01 0.00 -0.52 0.00 0.00 37.83 34.58 3hsm s LYS 162 CO 0.47 -0.19 0.52 0.08 -0.92 0.00 0.00 175.35 175.31 3hsm s VAL 163 N -1.56 5.02 0.37 3.17 1.01 -0.65 -4.78 120.40 122.98 3hsm s VAL 163 Ca 0.57 0.48 -0.11 0.00 0.00 0.00 0.00 61.98 62.92 3hsm s VAL 163 Cb -0.25 -3.94 -0.07 0.00 0.00 0.00 0.00 36.38 32.12 3hsm s VAL 163 CO 0.31 -0.15 0.74 -0.13 0.00 0.00 0.00 175.10 175.87 3hsm s ARG 164 N 2.40 3.80 0.02 2.72 3.00 -1.26 -1.88 118.95 127.75 3hsm s ARG 164 Ca 0.20 0.46 -0.30 0.00 0.00 0.00 0.00 55.73 56.08 3hsm s ARG 164 Cb -0.15 -2.43 -0.06 0.00 0.00 0.00 0.00 34.95 32.30 3hsm s ARG 164 CO 0.13 0.03 1.52 0.08 0.00 0.00 0.00 175.30 177.06 3hsm s VAL 165 N -2.26 3.45 0.00 3.52 1.01 0.19 -2.05 120.40 124.25 3hsm s VAL 165 Ca 0.51 0.83 0.00 0.00 0.00 0.00 0.00 61.98 63.32 3hsm s VAL 165 Cb -0.10 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.74 3hsm s VAL 165 CO 0.28 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.98 3hsm n GLY 166 N 3.82 0.27 3.77 4.51 0.00 -1.25 -4.74 105.19 111.57 3hsm n GLY 166 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 3hsm n GLY 166 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hsm s ASP 167 N -2.39 6.40 -0.25 1.61 1.11 -0.87 -4.98 116.67 117.30 3hsm s ASP 167 Ca 0.00 2.51 -0.20 0.00 0.18 0.00 0.00 52.55 55.04 3hsm s ASP 167 Cb 0.00 -2.63 -0.02 0.00 1.07 0.00 0.00 42.92 41.34 3hsm s ASP 167 CO 0.00 -0.78 0.59 -1.81 1.18 0.00 0.00 175.17 174.35 3hsm s ASP 168 N -0.93 6.55 0.26 0.27 1.01 -1.26 -4.33 116.67 118.23 3hsm s ASP 168 Ca 0.57 0.66 0.02 0.00 0.71 0.00 0.00 52.55 54.52 3hsm s ASP 168 Cb -0.35 -2.32 -0.05 0.00 1.01 0.00 0.00 42.92 41.21 3hsm s ASP 168 CO 0.44 -0.32 0.06 -1.48 0.21 0.00 0.00 175.17 174.07 3hsm s LEU 169 N 2.33 1.90 -0.09 1.23 0.05 -0.18 -3.25 118.68 120.68 3hsm s LEU 169 Ca 0.25 -1.33 -0.00 0.00 0.05 0.00 0.00 54.13 53.10 3hsm s LEU 169 Cb -0.16 -0.12 -0.03 0.00 -2.05 0.00 0.00 46.19 43.84 3hsm s LEU 169 CO 0.09 -0.65 -0.05 -0.63 -0.55 0.00 0.00 176.35 174.56 3hsm s ILE 170 N -3.59 3.86 -0.23 1.48 -1.09 0.86 -1.48 121.20 121.01 3hsm s ILE 170 Ca 0.34 -0.41 -0.00 0.00 -2.23 0.00 0.00 60.65 58.35 3hsm s ILE 170 Cb 0.07 -2.61 0.03 0.00 -1.58 0.00 0.00 42.46 38.38 3hsm s ILE 170 CO 0.12 0.58 -0.11 -0.76 -1.23 0.00 0.00 174.94 173.55 3hsm s LEU 171 N -0.63 2.96 -0.12 2.97 1.43 -1.26 -0.47 118.68 123.55 3hsm s LEU 171 Ca 0.10 -0.90 -0.01 0.00 -1.03 0.00 0.00 54.13 52.28 3hsm s LEU 171 Cb -0.12 -1.60 -0.03 0.00 0.03 0.00 0.00 46.19 44.48 3hsm s LEU 171 CO 0.02 -0.10 -0.07 -0.69 0.23 0.00 0.00 176.35 175.74 3hsm s VAL 172 N 1.28 3.66 -0.14 -1.59 1.01 -0.49 -0.75 120.40 123.38 3hsm s VAL 172 Ca -0.00 -0.46 -0.29 0.00 0.00 0.00 0.00 61.98 61.22 3hsm s VAL 172 Cb -0.16 -2.55 -0.02 0.00 0.00 0.00 0.00 36.38 33.65 3hsm s VAL 172 CO -0.07 0.54 1.23 -0.55 0.00 0.00 0.00 175.10 176.25 3hsm s SER 173 N -0.05 6.99 0.22 3.32 0.15 0.89 -0.54 113.70 124.67 3hsm s SER 173 Ca 0.00 1.71 -0.09 0.00 0.70 0.00 0.00 55.95 58.27 3hsm s SER 173 Cb -0.13 -2.54 0.18 0.00 -1.71 0.00 0.00 66.02 61.81 3hsm s SER 173 CO 0.03 -0.70 1.89 0.58 1.20 0.00 0.00 173.24 176.24 3hsm h VAL 174 N 5.34 1.21 -0.05 4.45 2.07 -1.64 0.86 116.25 128.48 3hsm h VAL 174 Ca -0.28 -0.38 -0.18 0.00 0.82 0.00 0.00 66.70 66.68 3hsm h VAL 174 Cb 1.12 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 3hsm h VAL 174 CO 0.94 0.20 -0.74 0.77 0.02 0.00 0.00 177.57 178.77 3hsm h SER 175 N 1.11 0.36 0.00 0.57 4.64 -1.79 -3.36 113.55 115.07 3hsm h SER 175 Ca 0.30 -0.24 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3hsm h SER 175 Cb -0.13 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 61.86 3hsm h SER 175 CO -0.06 0.97 -1.13 -1.54 -0.87 0.00 0.00 176.83 174.20 3hsm n SER 176 N -3.80 2.09 -0.82 4.97 3.41 -1.18 -4.99 113.62 113.30 3hsm n SER 176 Ca -0.04 -0.22 -0.11 0.00 -0.26 0.00 0.00 58.87 58.25 3hsm n SER 176 Cb 0.71 1.30 -0.05 0.00 -0.26 0.00 0.00 64.21 65.92 3hsm n SER 176 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3hsm n GLU 177 N -1.64 -0.84 -4.08 4.33 1.02 0.30 -4.98 120.64 114.74 3hsm n GLU 177 Ca -0.01 0.86 -0.23 0.00 -0.02 0.00 0.00 57.16 57.77 3hsm n GLU 177 Cb 0.22 -4.84 -0.04 0.00 -0.02 0.00 0.00 31.44 26.75 3hsm n GLU 177 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3hsm s ARG 178 N -2.84 3.01 0.13 3.49 0.52 -1.25 -4.75 118.95 117.26 3hsm s ARG 178 Ca 0.00 -0.96 -0.12 0.00 -0.52 0.00 0.00 55.73 54.13 3hsm s ARG 178 Cb 0.00 -2.64 -0.07 0.00 0.52 0.00 0.00 34.95 32.76 3hsm s ARG 178 CO 0.00 0.42 0.49 0.71 0.02 0.00 0.00 175.30 176.95 3hsm s TYR 179 N -2.03 3.57 -0.20 -0.53 1.51 -0.33 -0.08 117.35 119.27 3hsm s TYR 179 Ca 0.33 0.93 -0.29 0.00 -1.01 0.00 0.00 57.07 57.03 3hsm s TYR 179 Cb -0.09 -2.27 -0.04 0.00 -0.11 0.00 0.00 41.96 39.46 3hsm s TYR 179 CO 0.25 0.44 1.75 -1.17 -1.11 0.00 0.00 175.55 175.72 3hsm s LEU 180 N -2.06 3.87 0.03 -1.29 2.96 0.07 -2.06 118.68 120.20 3hsm s LEU 180 Ca 0.37 1.76 0.03 0.00 -0.22 0.00 0.00 54.13 56.07 3hsm s LEU 180 Cb -0.14 -3.53 -0.02 0.00 0.50 0.00 0.00 46.19 43.00 3hsm s LEU 180 CO 0.19 -1.37 -0.10 -2.28 -1.32 0.00 0.00 176.35 171.48 3hsm s HIS 181 N 5.67 0.84 -0.46 5.38 5.65 0.21 -3.94 115.29 128.64 3hsm s HIS 181 Ca 0.78 -0.33 -0.21 0.00 0.25 0.00 0.00 55.06 55.55 3hsm s HIS 181 Cb -0.28 -0.51 0.03 0.00 -1.18 0.00 0.00 32.58 30.64 3hsm s HIS 181 CO 0.32 -0.02 0.68 -1.17 -0.65 0.00 0.00 174.74 173.90 3hsm s LEU 182 N -0.98 4.49 -0.15 8.88 2.96 -1.26 -0.14 118.68 132.48 3hsm s LEU 182 Ca -0.02 -0.38 -0.18 0.00 -0.22 0.00 0.00 54.13 53.33 3hsm s LEU 182 Cb -0.07 -2.74 -0.04 0.00 0.50 0.00 0.00 46.19 43.85 3hsm s LEU 182 CO 0.01 -0.84 0.48 -0.55 -1.32 0.00 0.00 176.35 174.12 3hsm s SER 183 N 2.16 6.62 -0.24 3.68 0.15 0.35 -4.93 113.70 121.49 3hsm s SER 183 Ca 0.23 0.74 -0.01 0.00 0.70 0.00 0.00 55.95 57.61 3hsm s SER 183 Cb -0.14 -2.28 0.03 0.00 -1.71 0.00 0.00 66.02 61.91 3hsm s SER 183 CO 0.19 -0.06 -0.08 0.28 1.20 0.00 0.00 173.24 174.77 3hsm s THR 184 N 0.99 2.73 -0.45 6.45 -1.32 -1.26 -0.60 115.64 122.18 3hsm s THR 184 Ca 0.25 -1.08 0.00 0.00 -1.21 0.00 0.00 61.69 59.65 3hsm s THR 184 Cb -0.15 -2.39 0.12 0.00 -1.51 0.00 0.00 72.50 68.57 3hsm s THR 184 CO 0.10 0.21 0.21 -0.22 -2.21 0.00 0.00 174.62 172.71 3hsm s LEU 189 N 1.30 4.94 0.41 9.08 2.96 -1.26 -5.20 118.68 130.91 3hsm s LEU 189 Ca -0.00 -2.41 0.04 0.00 -0.22 0.00 0.00 54.13 51.54 3hsm s LEU 189 Cb -0.17 -1.74 -0.02 0.00 0.50 0.00 0.00 46.19 44.76 3hsm s LEU 189 CO -0.05 -0.40 0.15 -1.10 -1.32 0.00 0.00 176.35 173.62 3hsm s GLN 190 N 0.58 1.95 -0.09 1.98 -0.21 0.23 -4.78 119.66 119.31 3hsm s GLN 190 Ca 0.12 -2.19 0.04 0.00 0.02 0.00 0.00 55.36 53.35 3hsm s GLN 190 Cb -0.22 -0.53 0.00 0.00 1.00 0.00 0.00 33.01 33.26 3hsm s GLN 190 CO -0.04 -0.51 -0.22 0.08 -2.12 0.00 0.00 175.29 172.47 3hsm s VAL 191 N -3.21 1.89 0.36 1.09 1.01 -1.26 -0.49 120.40 119.79 3hsm s VAL 191 Ca 0.24 -0.92 -0.07 0.00 0.00 0.00 0.00 61.98 61.22 3hsm s VAL 191 Cb 0.02 -1.64 0.03 0.00 0.00 0.00 0.00 36.38 34.79 3hsm s VAL 191 CO 0.16 0.52 0.61 -0.90 0.00 0.00 0.00 175.10 175.49 3hsm n ASP 192 N 3.52 -1.74 -4.13 3.32 5.68 0.81 -4.28 116.55 119.73 3hsm n ASP 192 Ca -0.20 -2.72 -0.35 0.00 -0.50 0.00 0.00 54.79 51.03 3hsm n ASP 192 Cb 0.53 3.04 -0.13 0.00 -1.14 0.00 0.00 41.12 43.43 3hsm n ASP 192 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3hsm s ALA 193 N -2.43 3.02 0.45 2.12 0.00 -0.17 0.67 121.76 125.41 3hsm s ALA 193 Ca 0.23 -2.26 0.03 0.00 0.00 0.00 0.00 51.96 49.95 3hsm s ALA 193 Cb -0.03 -2.21 -0.01 0.00 0.00 0.00 0.00 23.12 20.87 3hsm s ALA 193 CO 0.16 -1.61 0.12 -1.54 0.00 0.00 0.00 175.76 172.89 3hsm s SER 194 N 1.53 3.23 0.03 0.00 1.04 -0.87 -1.46 113.70 117.20 3hsm s SER 194 Ca 0.04 -1.74 0.22 0.00 0.48 0.00 0.00 55.95 54.95 3hsm s SER 194 Cb -0.21 0.65 0.92 0.00 0.10 0.00 0.00 66.02 67.47 3hsm s SER 194 CO -0.03 -0.99 1.70 0.49 0.98 0.00 0.00 173.24 175.38 3hsm n PHE 195 N -1.05 0.12 -3.58 5.02 3.72 -1.26 -1.19 117.46 119.24 3hsm n PHE 195 Ca -0.10 0.04 -0.37 0.00 -0.05 0.00 0.00 57.45 56.97 3hsm n PHE 195 Cb 0.65 -0.57 -0.06 0.00 -0.94 0.00 0.00 39.48 38.56 3hsm n PHE 195 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 176.76 175.07 3hsm s MET 196 N -3.03 3.91 0.43 -1.08 -1.94 -1.26 -4.90 119.30 111.42 3hsm s MET 196 Ca 0.10 0.24 -0.03 0.00 -1.71 0.00 0.00 55.69 54.29 3hsm s MET 196 Cb 0.14 -3.27 -0.03 0.00 2.01 0.00 0.00 34.83 33.68 3hsm s MET 196 CO 0.41 0.59 0.69 -0.65 -0.01 0.00 0.00 175.02 176.04 3hsm s GLN 197 N -0.66 3.48 -0.10 2.03 -0.21 -1.26 -4.62 119.66 118.31 3hsm s GLN 197 Ca 0.21 -0.06 -0.08 0.00 0.02 0.00 0.00 55.36 55.45 3hsm s GLN 197 Cb -0.15 -2.50 0.03 0.00 1.00 0.00 0.00 33.01 31.40 3hsm s GLN 197 CO 0.09 -0.08 0.26 0.99 -2.12 0.00 0.00 175.29 174.43 3hsm s THR 198 N -2.57 -0.01 0.13 -0.19 2.01 -1.25 -4.88 115.64 108.88 3hsm s THR 198 Ca 0.45 0.05 -0.21 0.00 0.31 0.00 0.00 61.69 62.28 3hsm s THR 198 Cb -0.10 -0.37 -0.07 0.00 0.01 0.00 0.00 72.50 71.96 3hsm s THR 198 CO 0.41 0.02 0.66 -0.76 -0.69 0.00 0.00 174.62 174.26 3hsm s LEU 199 N 0.51 4.52 0.18 4.42 1.43 -1.26 -4.66 118.68 123.82 3hsm s LEU 199 Ca -0.03 1.41 0.05 0.00 -1.03 0.00 0.00 54.13 54.54 3hsm s LEU 199 Cb -0.05 -3.15 -0.05 0.00 0.03 0.00 0.00 46.19 42.98 3hsm s LEU 199 CO -0.03 0.21 -0.10 0.26 0.23 0.00 0.00 176.35 176.92 3hsm s TRP 200 N -1.20 1.44 0.07 0.29 0.52 -0.55 -4.56 118.94 114.95 3hsm s TRP 200 Ca 0.34 -0.72 0.07 0.00 0.02 0.00 0.00 56.10 55.80 3hsm s TRP 200 Cb -0.20 -0.73 -0.03 0.00 -1.15 0.00 0.00 33.47 31.36 3hsm s TRP 200 CO 0.22 0.15 -0.19 -0.80 0.02 0.00 0.00 176.95 176.36 3hsm s ASN 201 N -3.23 2.26 -0.29 2.95 0.01 0.29 -1.01 114.94 115.92 3hsm s ASN 201 Ca 0.20 -0.58 -0.02 0.00 -0.71 0.00 0.00 52.86 51.75 3hsm s ASN 201 Cb 0.02 -0.15 0.04 0.00 0.41 0.00 0.00 41.25 41.58 3hsm s ASN 201 CO 0.03 0.08 -0.00 -0.04 -1.51 0.00 0.00 177.10 175.66 3hsm s MET 202 N -1.48 2.53 -0.12 -0.60 -1.94 -1.26 -1.63 119.30 114.80 3hsm s MET 202 Ca 0.05 -1.20 0.01 0.00 -1.71 0.00 0.00 55.69 52.84 3hsm s MET 202 Cb -0.09 -3.17 -0.01 0.00 2.01 0.00 0.00 34.83 33.56 3hsm s MET 202 CO 0.03 -0.58 -0.16 -0.80 -0.01 0.00 0.00 175.02 173.49 3hsm s ASN 203 N 1.28 3.76 0.56 3.03 0.01 -0.91 -3.84 114.94 118.84 3hsm s ASN 203 Ca -0.04 -0.38 -0.20 0.00 -0.71 0.00 0.00 52.86 51.53 3hsm s ASN 203 Cb -0.19 -1.52 -0.04 0.00 0.41 0.00 0.00 41.25 39.90 3hsm s ASN 203 CO -0.01 0.17 1.23 -2.84 -1.51 0.00 0.00 177.10 174.13 3hsm s PRO 204 N 0.30 3.13 0.00 -0.60 0.02 -1.26 -1.43 135.00 135.15 3hsm s PRO 204 Ca -0.12 1.88 0.32 0.00 0.02 0.00 0.00 61.00 63.10 3hsm s PRO 204 Cb -0.16 -2.06 1.85 0.00 0.02 0.00 0.00 34.50 34.15 3hsm s PRO 204 CO 0.06 -1.10 2.20 0.44 -0.33 0.00 0.00 177.00 178.27