#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ohm h VAL 0 N 0.00 0.66 -0.46 -4.37 -1.51 -2.02 -1.35 116.25 107.20 2ohm h VAL 0 Ca 0.00 -0.19 0.13 0.00 -1.23 0.00 0.00 66.70 65.41 2ohm h VAL 0 Cb 0.00 0.05 -0.02 0.00 -2.13 0.00 0.00 31.29 29.19 2ohm h VAL 0 CO 0.00 0.10 0.33 1.05 -1.23 0.00 0.00 177.57 177.82 2ohm h GLU 1 N 0.56 0.02 0.00 5.19 9.09 -1.97 -2.63 114.58 124.84 2ohm h GLU 1 Ca 0.49 -0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.90 2ohm h GLU 1 Cb 0.77 -0.01 0.00 0.00 -1.65 0.00 0.00 28.75 27.86 2ohm h GLU 1 CO -0.41 0.02 -1.43 -1.33 0.05 0.00 0.00 179.01 175.91 2ohm n MET 2 N -4.41 0.47 -1.79 1.06 2.81 -0.54 -4.74 117.12 109.98 2ohm n MET 2 Ca 0.08 -0.06 -0.42 0.00 -1.81 0.00 0.00 57.70 55.49 2ohm n MET 2 Cb 0.52 -1.59 -0.03 0.00 -0.71 0.00 0.00 33.22 31.40 2ohm n MET 2 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 2ohm s VAL 3 N -3.34 2.20 -0.41 2.03 1.01 -0.99 -2.16 120.40 118.73 2ohm s VAL 3 Ca -0.02 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.10 2ohm s VAL 3 Cb 0.14 -3.09 0.00 0.00 0.00 0.00 0.00 36.38 33.43 2ohm s VAL 3 CO 0.85 0.01 0.00 -0.67 0.00 0.00 0.00 175.10 175.29 2ohm n ASP 4 N 4.02 -2.32 -1.00 3.32 2.03 -1.18 -4.93 116.55 116.48 2ohm n ASP 4 Ca 0.15 0.01 0.07 0.00 0.52 0.00 0.00 54.79 55.55 2ohm n ASP 4 Cb 0.36 -1.48 0.22 0.00 -0.72 0.00 0.00 41.12 39.50 2ohm n ASP 4 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 2ohm n ASN 5 N 1.13 2.89 -4.39 1.67 6.94 -0.92 -4.82 115.26 117.76 2ohm n ASN 5 Ca -0.05 -2.13 -0.32 0.00 -0.02 0.00 0.00 54.58 52.06 2ohm n ASN 5 Cb 0.48 -0.39 -0.15 0.00 -2.36 0.00 0.00 39.78 37.37 2ohm n ASN 5 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2ohm s LEU 6 N -1.17 2.41 0.23 -4.53 1.43 -0.79 -4.39 118.68 111.87 2ohm s LEU 6 Ca 0.33 -0.33 0.01 0.00 -1.03 0.00 0.00 54.13 53.10 2ohm s LEU 6 Cb 0.19 -1.46 -0.05 0.00 0.03 0.00 0.00 46.19 44.90 2ohm s LEU 6 CO 0.19 0.32 0.08 -0.13 0.23 0.00 0.00 176.35 177.04 2ohm s ARG 7 N -0.60 1.30 -0.04 1.70 0.52 -0.51 -1.84 118.95 119.47 2ohm s ARG 7 Ca 0.09 -1.68 -0.16 0.00 -0.52 0.00 0.00 55.73 53.46 2ohm s ARG 7 Cb -0.11 -0.17 0.05 0.00 0.52 0.00 0.00 34.95 35.24 2ohm s ARG 7 CO 0.00 -0.27 0.73 0.41 0.02 0.00 0.00 175.30 176.19 2ohm n GLY 8 N -0.37 0.29 3.07 -3.53 0.00 -0.99 0.03 105.19 103.69 2ohm n GLY 8 Ca -0.01 -0.93 -0.16 0.00 0.00 0.00 0.00 46.02 44.92 2ohm n GLY 8 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ohm s LYS 9 N -2.00 0.64 -0.02 1.61 1.02 -1.24 -1.20 119.74 118.55 2ohm s LYS 9 Ca 0.17 -0.66 -0.38 0.00 0.02 0.00 0.00 55.97 55.12 2ohm s LYS 9 Cb -0.00 -0.54 -0.17 0.00 -0.52 0.00 0.00 37.83 36.59 2ohm s LYS 9 CO -0.01 0.12 1.38 0.45 -0.92 0.00 0.00 175.35 176.37 2ohm n SER 10 N 1.86 1.48 0.00 2.83 2.88 -0.85 0.01 113.62 121.84 2ohm n SER 10 Ca -0.19 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 58.47 2ohm n SER 10 Cb 0.55 -1.12 0.00 0.00 -0.75 0.00 0.00 64.21 62.89 2ohm n SER 10 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ohm n GLY 11 N 2.72 2.92 1.88 0.46 0.00 -1.26 -4.81 105.19 107.10 2ohm n GLY 11 Ca 0.21 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.20 2ohm n GLY 11 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2ohm n GLN 12 N -1.97 3.83 -1.13 1.61 6.02 0.10 -4.94 117.38 120.90 2ohm n GLN 12 Ca 0.00 -2.83 0.15 0.00 -0.01 0.00 0.00 57.00 54.31 2ohm n GLN 12 Cb 0.00 -2.16 -0.04 0.00 1.02 0.00 0.00 30.24 29.05 2ohm n GLN 12 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2ohm n GLY 13 N 0.09 -1.90 3.54 1.08 0.00 -1.24 -4.60 105.19 102.16 2ohm n GLY 13 Ca 0.34 -1.23 -0.34 0.00 0.00 0.00 0.00 46.02 44.79 2ohm n GLY 13 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ohm s TYR 14 N -2.15 3.02 0.08 1.61 1.51 -1.26 -3.68 117.35 116.47 2ohm s TYR 14 Ca 0.00 -0.17 0.07 0.00 -1.01 0.00 0.00 57.07 55.96 2ohm s TYR 14 Cb 0.00 -1.88 -0.03 0.00 -0.11 0.00 0.00 41.96 39.94 2ohm s TYR 14 CO 0.00 0.11 -0.18 1.52 -1.11 0.00 0.00 175.55 175.88 2ohm s TYR 15 N -0.04 1.59 0.01 2.71 -0.85 0.10 -0.53 117.35 120.34 2ohm s TYR 15 Ca 0.01 -0.41 0.06 0.00 -0.52 0.00 0.00 57.07 56.21 2ohm s TYR 15 Cb -0.13 -0.89 -0.03 0.00 0.38 0.00 0.00 41.96 41.29 2ohm s TYR 15 CO 0.03 0.13 -0.17 0.54 -1.52 0.00 0.00 175.55 174.55 2ohm s VAL 16 N -1.09 2.82 0.23 -3.49 0.11 0.40 -1.42 120.40 117.96 2ohm s VAL 16 Ca 0.04 -1.06 -0.30 0.00 -2.93 0.00 0.00 61.98 57.73 2ohm s VAL 16 Cb -0.10 -2.15 -0.09 0.00 -1.53 0.00 0.00 36.38 32.52 2ohm s VAL 16 CO 0.03 0.42 1.12 -0.70 -3.33 0.00 0.00 175.10 172.64 2ohm s GLU 17 N -1.20 4.59 0.10 1.54 2.12 -1.26 -0.47 118.70 124.13 2ohm s GLU 17 Ca 0.14 1.81 0.00 0.00 0.36 0.00 0.00 54.97 57.27 2ohm s GLU 17 Cb -0.10 -3.22 -0.04 0.00 0.26 0.00 0.00 34.13 31.02 2ohm s GLU 17 CO 0.04 0.11 -0.02 -1.64 -0.54 0.00 0.00 175.26 173.21 2ohm s MET 18 N -0.92 0.84 -0.02 4.30 -1.94 -0.37 -4.31 119.30 116.87 2ohm s MET 18 Ca 0.48 -1.36 0.07 0.00 -1.71 0.00 0.00 55.69 53.17 2ohm s MET 18 Cb -0.32 0.00 -0.02 0.00 2.01 0.00 0.00 34.83 36.51 2ohm s MET 18 CO 0.39 -0.12 -0.24 0.95 -0.01 0.00 0.00 175.02 175.99 2ohm s THR 19 N -3.81 1.91 0.04 2.05 -4.23 0.14 -1.37 115.64 110.38 2ohm s THR 19 Ca 0.15 -1.03 0.07 0.00 -1.18 0.00 0.00 61.69 59.70 2ohm s THR 19 Cb 0.07 -1.59 -0.02 0.00 1.34 0.00 0.00 72.50 72.29 2ohm s THR 19 CO -0.03 0.54 -0.19 -0.69 -0.54 0.00 0.00 174.62 173.71 2ohm s VAL 20 N -0.52 1.51 0.28 2.29 1.01 -0.34 0.00 120.40 124.64 2ohm s VAL 20 Ca 0.08 -1.13 0.00 0.00 0.00 0.00 0.00 61.98 60.93 2ohm s VAL 20 Cb -0.10 -1.32 0.00 0.00 0.00 0.00 0.00 36.38 34.96 2ohm s VAL 20 CO -0.00 0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.86 2ohm n GLY 21 N 1.88 -2.50 3.03 4.51 0.00 -0.53 -0.34 105.19 111.23 2ohm n GLY 21 Ca -0.17 -1.27 -0.29 0.00 0.00 0.00 0.00 46.02 44.28 2ohm n GLY 21 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ohm s SER 22 N -6.12 2.59 1.02 1.61 0.01 -1.26 -2.54 113.70 109.01 2ohm s SER 22 Ca 0.00 -0.46 -0.12 0.00 1.31 0.00 0.00 55.95 56.68 2ohm s SER 22 Cb 0.00 -1.14 0.20 0.00 0.21 0.00 0.00 66.02 65.29 2ohm s SER 22 CO 0.00 -0.04 1.08 -2.16 0.41 0.00 0.00 173.24 172.53 2ohm s PRO 23 N 1.34 0.23 0.10 12.44 0.04 -1.26 -1.50 135.00 146.39 2ohm s PRO 23 Ca 0.01 0.99 -0.31 0.00 0.04 0.00 0.00 61.00 61.73 2ohm s PRO 23 Cb -0.13 -1.68 -0.07 0.00 0.04 0.00 0.00 34.50 32.66 2ohm s PRO 23 CO -0.08 -2.99 1.25 -1.25 0.04 0.00 0.00 177.00 173.97 2ohm s PRO 24 N -4.67 4.41 -0.26 0.56 0.04 -1.05 -4.89 135.00 129.15 2ohm s PRO 24 Ca 0.66 1.87 -0.11 0.00 0.04 0.00 0.00 61.00 63.47 2ohm s PRO 24 Cb -0.22 -3.30 -0.05 0.00 0.04 0.00 0.00 34.50 30.97 2ohm s PRO 24 CO 0.60 -0.28 0.17 -0.65 0.04 0.00 0.00 177.00 176.89 2ohm s GLN 25 N 0.84 4.01 -0.08 4.56 -0.21 0.54 -4.89 119.66 124.43 2ohm s GLN 25 Ca 0.59 -0.30 -0.25 0.00 0.02 0.00 0.00 55.36 55.42 2ohm s GLN 25 Cb -0.32 -3.58 -0.03 0.00 1.00 0.00 0.00 33.01 30.08 2ohm s GLN 25 CO 0.31 -0.04 0.80 0.99 -2.12 0.00 0.00 175.29 175.24 2ohm s THR 26 N 1.34 4.96 0.06 -0.19 2.01 -1.26 -1.20 115.64 121.36 2ohm s THR 26 Ca 0.07 1.64 0.05 0.00 0.31 0.00 0.00 61.69 63.76 2ohm s THR 26 Cb -0.15 -4.13 -0.03 0.00 0.01 0.00 0.00 72.50 68.20 2ohm s THR 26 CO 0.07 0.17 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.28 2ohm s LEU 27 N 1.23 2.25 -0.22 4.42 1.43 -0.47 -4.90 118.68 122.42 2ohm s LEU 27 Ca 0.41 -0.56 -0.19 0.00 -1.03 0.00 0.00 54.13 52.76 2ohm s LEU 27 Cb -0.18 -0.47 -0.03 0.00 0.03 0.00 0.00 46.19 45.54 2ohm s LEU 27 CO 0.19 -0.07 0.55 0.20 0.23 0.00 0.00 176.35 177.45 2ohm s ASN 28 N -1.56 6.56 -0.09 2.29 0.01 -1.26 -1.24 114.94 119.64 2ohm s ASN 28 Ca -0.03 0.67 0.01 0.00 -0.71 0.00 0.00 52.86 52.81 2ohm s ASN 28 Cb -0.09 -2.31 -0.02 0.00 0.41 0.00 0.00 41.25 39.24 2ohm s ASN 28 CO 0.02 -0.25 -0.12 -0.63 -1.51 0.00 0.00 177.10 174.60 2ohm s ILE 29 N 1.98 3.17 0.11 0.60 -1.09 0.39 -0.45 121.20 125.90 2ohm s ILE 29 Ca 0.24 -0.65 -0.31 0.00 -2.23 0.00 0.00 60.65 57.71 2ohm s ILE 29 Cb -0.16 -2.30 -0.08 0.00 -1.58 0.00 0.00 42.46 38.35 2ohm s ILE 29 CO 0.09 0.56 1.38 -0.22 -1.23 0.00 0.00 174.94 175.52 2ohm s LEU 30 N -0.19 4.37 -0.40 2.97 2.96 0.76 -0.45 118.68 128.70 2ohm s LEU 30 Ca 0.00 2.31 -0.25 0.00 -0.22 0.00 0.00 54.13 55.97 2ohm s LEU 30 Cb -0.13 -3.58 0.02 0.00 0.50 0.00 0.00 46.19 42.99 2ohm s LEU 30 CO 0.03 -0.65 0.88 -0.69 -1.32 0.00 0.00 176.35 174.61 2ohm s VAL 31 N 1.16 4.59 -0.29 1.68 1.01 0.31 0.18 120.40 129.04 2ohm s VAL 31 Ca 0.64 0.94 -0.01 0.00 0.00 0.00 0.00 61.98 63.55 2ohm s VAL 31 Cb -0.36 -4.33 0.09 0.00 0.00 0.00 0.00 36.38 31.77 2ohm s VAL 31 CO 0.30 -0.61 0.09 -0.62 0.00 0.00 0.00 175.10 174.25 2ohm s ASP 32 N 2.00 3.81 0.00 3.32 2.15 -0.48 -4.28 116.67 123.19 2ohm s ASP 32 Ca 0.36 -1.47 0.24 0.00 0.43 0.00 0.00 52.55 52.11 2ohm s ASP 32 Cb -0.12 -0.79 1.45 0.00 -0.30 0.00 0.00 42.92 43.16 2ohm s ASP 32 CO 0.21 -0.40 1.89 0.35 -0.17 0.00 0.00 175.17 177.05 2ohm n THR 33 N 4.91 0.00 -0.58 1.71 -2.24 -1.26 -1.16 114.28 115.66 2ohm n THR 33 Ca -0.04 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.84 2ohm n THR 33 Cb 0.43 -0.44 0.35 0.00 -2.10 0.00 0.00 70.33 68.56 2ohm n THR 33 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ohm n GLY 34 N 0.78 2.75 3.80 3.38 0.00 -1.26 -4.12 105.19 110.51 2ohm n GLY 34 Ca 0.18 -0.84 -0.06 0.00 0.00 0.00 0.00 46.02 45.30 2ohm n GLY 34 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ohm s SER 35 N -0.95 -0.24 -0.03 1.61 1.04 -1.23 -4.98 113.70 108.92 2ohm s SER 35 Ca 0.50 -0.50 0.04 0.00 0.48 0.00 0.00 55.95 56.48 2ohm s SER 35 Cb 0.31 0.63 0.06 0.00 0.10 0.00 0.00 66.02 67.12 2ohm s SER 35 CO 0.26 -1.15 0.89 -1.20 0.98 0.00 0.00 173.24 173.02 2ohm n SER 36 N -0.46 0.95 -4.61 7.02 7.64 -1.26 -0.49 113.62 122.41 2ohm n SER 36 Ca -0.05 -1.94 -0.34 0.00 1.01 0.00 0.00 58.87 57.54 2ohm n SER 36 Cb 0.60 -0.15 -0.11 0.00 -1.01 0.00 0.00 64.21 63.55 2ohm n SER 36 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 2ohm s ASN 37 N -1.11 4.81 -0.35 6.43 0.01 -1.26 -4.42 114.94 119.05 2ohm s ASN 37 Ca 0.07 0.02 -0.11 0.00 -0.71 0.00 0.00 52.86 52.12 2ohm s ASN 37 Cb 0.06 -1.25 0.00 0.00 0.41 0.00 0.00 41.25 40.48 2ohm s ASN 37 CO 0.01 0.36 0.21 0.12 -1.51 0.00 0.00 177.10 176.29 2ohm s PHE 38 N -0.84 3.22 -0.10 2.20 5.36 -1.26 0.31 117.98 126.87 2ohm s PHE 38 Ca 0.13 -0.61 -0.03 0.00 -0.96 0.00 0.00 56.93 55.46 2ohm s PHE 38 Cb -0.11 -2.44 0.05 0.00 -0.34 0.00 0.00 43.02 40.18 2ohm s PHE 38 CO 0.02 -0.51 0.15 0.00 -1.46 0.00 0.00 175.22 173.42 2ohm s ALA 39 N 1.63 -0.06 0.17 11.12 0.00 -0.83 -1.35 121.76 132.44 2ohm s ALA 39 Ca 0.04 0.39 0.10 0.00 0.00 0.00 0.00 51.96 52.49 2ohm s ALA 39 Cb -0.18 -0.87 -0.04 0.00 0.00 0.00 0.00 23.12 22.03 2ohm s ALA 39 CO 0.08 -0.69 -0.17 0.14 0.00 0.00 0.00 175.76 175.13 2ohm s VAL 40 N 2.26 2.81 0.21 0.00 -7.23 -0.63 -0.35 120.40 117.48 2ohm s VAL 40 Ca 0.04 -1.76 -0.31 0.00 -1.81 0.00 0.00 61.98 58.14 2ohm s VAL 40 Cb -0.13 -2.35 -0.10 0.00 0.56 0.00 0.00 36.38 34.36 2ohm s VAL 40 CO -0.06 -0.06 1.55 -0.83 -0.31 0.00 0.00 175.10 175.38 2ohm s GLY 41 N -2.62 1.85 -0.04 2.32 0.00 0.70 -0.27 107.32 109.26 2ohm s GLY 41 Ca 0.22 1.41 0.06 0.00 0.00 0.00 0.00 44.72 46.41 2ohm s GLY 41 CO 0.12 2.53 1.03 0.00 0.00 0.00 0.00 173.10 176.78 2ohm n ALA 42 N 3.19 2.04 -3.20 3.20 0.00 -0.23 0.91 120.51 126.41 2ohm n ALA 42 Ca 0.11 -1.50 -0.13 0.00 0.00 0.00 0.00 53.44 51.92 2ohm n ALA 42 Cb 0.39 -0.13 -0.08 0.00 0.00 0.00 0.00 19.45 19.62 2ohm n ALA 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ohm s ALA 43 N -1.54 -0.87 -1.34 0.00 0.00 -1.25 -4.73 121.76 112.02 2ohm s ALA 43 Ca 0.10 0.34 -0.14 0.00 0.00 0.00 0.00 51.96 52.26 2ohm s ALA 43 Cb 0.09 0.16 -0.02 0.00 0.00 0.00 0.00 23.12 23.34 2ohm s ALA 43 CO 0.01 -0.33 2.32 -0.35 0.00 0.00 0.00 175.76 177.41 2ohm n PRO 44 N 1.00 2.75 -1.85 0.00 -0.04 -1.26 -4.90 135.00 130.70 2ohm n PRO 44 Ca -0.20 -2.32 -0.41 0.00 -0.04 0.00 0.00 63.50 60.52 2ohm n PRO 44 Cb 0.57 -3.08 -0.01 0.00 -0.04 0.00 0.00 33.50 30.94 2ohm n PRO 44 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2ohm s HIS 45 N 3.31 2.74 -0.00 0.54 2.46 -1.26 -4.90 115.29 118.17 2ohm s HIS 45 Ca 0.53 1.03 0.32 0.00 0.47 0.00 0.00 55.06 57.41 2ohm s HIS 45 Cb 0.15 -3.99 1.24 0.00 -0.13 0.00 0.00 32.58 29.85 2ohm s HIS 45 CO -0.05 -3.07 1.93 -1.00 -2.47 0.00 0.00 174.74 170.08 2ohm h PRO 46 N 3.95 0.00 0.00 2.88 0.13 -2.02 -2.01 132.00 134.93 2ohm h PRO 46 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2ohm h PRO 46 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2ohm h PRO 46 CO 0.71 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.67 2ohm n PHE 47 N -3.02 0.00 -3.23 1.56 3.72 -1.26 -4.86 117.46 110.37 2ohm n PHE 47 Ca 0.01 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.03 2ohm n PHE 47 Cb 0.32 -0.40 -0.06 0.00 -0.94 0.00 0.00 39.48 38.41 2ohm n PHE 47 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2ohm s LEU 48 N -2.80 4.32 0.06 4.37 1.43 -0.76 -4.73 118.68 120.58 2ohm s LEU 48 Ca 0.18 0.99 -0.17 0.00 -1.03 0.00 0.00 54.13 54.09 2ohm s LEU 48 Cb 0.16 -2.84 -0.15 0.00 0.03 0.00 0.00 46.19 43.40 2ohm s LEU 48 CO 0.42 0.00 1.30 0.45 0.23 0.00 0.00 176.35 178.75 2ohm h HIS 49 N 6.43 0.72 -3.76 0.29 3.86 -1.88 -3.47 115.15 117.34 2ohm h HIS 49 Ca -0.42 -0.28 -0.48 0.00 -1.16 0.00 0.00 60.37 58.03 2ohm h HIS 49 Cb 1.19 -0.13 -0.13 0.00 1.06 0.00 0.00 27.41 29.40 2ohm h HIS 49 CO 0.64 1.03 -0.52 1.03 0.86 0.00 0.00 177.93 180.97 2ohm s ARG 50 N -3.93 1.75 -0.05 2.45 0.52 -1.26 -5.18 118.95 113.25 2ohm s ARG 50 Ca -0.13 -2.03 -0.30 0.00 -0.52 0.00 0.00 55.73 52.75 2ohm s ARG 50 Cb 0.06 -0.16 0.11 0.00 0.52 0.00 0.00 34.95 35.49 2ohm s ARG 50 CO 0.82 -0.52 0.97 1.52 0.02 0.00 0.00 175.30 178.12 2ohm s TYR 51 N -3.43 -0.29 -0.07 -0.53 1.13 -1.26 -4.89 117.35 108.02 2ohm s TYR 51 Ca 0.33 0.17 -0.30 0.00 -1.41 0.00 0.00 57.07 55.86 2ohm s TYR 51 Cb 0.03 0.53 -0.03 0.00 -1.10 0.00 0.00 41.96 41.40 2ohm s TYR 51 CO 0.19 -0.46 1.17 -0.47 -2.51 0.00 0.00 175.55 173.47 2ohm s TYR 52 N -2.94 3.24 -0.78 -3.49 5.04 0.26 -4.93 117.35 113.75 2ohm s TYR 52 Ca 0.06 1.28 -0.01 0.00 -2.44 0.00 0.00 57.07 55.96 2ohm s TYR 52 Cb -0.01 -3.38 0.19 0.00 0.35 0.00 0.00 41.96 39.11 2ohm s TYR 52 CO -0.08 -1.13 0.62 -0.65 -1.34 0.00 0.00 175.55 172.97 2ohm s GLN 53 N 2.20 2.91 0.48 4.97 -0.21 -1.26 -4.41 119.66 124.34 2ohm s GLN 53 Ca 0.55 -3.06 0.24 0.00 0.02 0.00 0.00 55.36 53.11 2ohm s GLN 53 Cb -0.24 -3.80 1.28 0.00 1.00 0.00 0.00 33.01 31.26 2ohm s GLN 53 CO 0.21 -1.24 1.91 0.00 -2.12 0.00 0.00 175.29 174.05 2ohm h ARG 54 N 6.23 0.18 0.00 2.91 3.08 -1.93 0.14 114.38 124.98 2ohm h ARG 54 Ca 0.10 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.14 2ohm h ARG 54 Cb 0.85 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.86 2ohm h ARG 54 CO 0.79 0.12 0.00 -0.56 -1.07 0.00 0.00 179.97 179.24 2ohm h GLN 55 N 0.18 0.00 -0.01 0.04 -0.00 -2.01 -2.05 115.11 111.26 2ohm h GLN 55 Ca 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.04 2ohm h GLN 55 Cb 1.26 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.74 2ohm h GLN 55 CO -0.07 0.00 -0.26 1.28 -0.00 0.00 0.00 178.83 179.78 2ohm n LEU 56 N -2.76 1.42 -4.27 0.06 4.77 0.49 -4.88 117.00 111.83 2ohm n LEU 56 Ca -0.01 -0.44 -0.35 0.00 -0.03 0.00 0.00 56.01 55.18 2ohm n LEU 56 Cb 0.15 -0.07 -0.14 0.00 -2.33 0.00 0.00 43.42 41.03 2ohm n LEU 56 CO 0.20 0.26 -0.38 -0.55 -1.33 0.00 0.00 177.39 175.58 2ohm s SER 57 N -2.40 4.36 0.44 -1.43 0.15 -0.77 -4.29 113.70 109.75 2ohm s SER 57 Ca 0.25 -0.61 0.29 0.00 0.70 0.00 0.00 55.95 56.58 2ohm s SER 57 Cb 0.19 -1.72 1.08 0.00 -1.71 0.00 0.00 66.02 63.87 2ohm s SER 57 CO 0.49 -0.08 1.85 0.77 1.20 0.00 0.00 173.24 177.47 2ohm h SER 58 N 8.09 0.00 -0.63 5.45 4.64 -1.55 -3.04 113.55 126.50 2ohm h SER 58 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 2ohm h SER 58 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 2ohm h SER 58 CO 0.60 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.91 2ohm n THR 59 N -2.82 1.09 -2.46 2.95 -2.24 -1.26 -4.96 114.28 104.58 2ohm n THR 59 Ca 0.02 -1.03 -0.35 0.00 -2.27 0.00 0.00 64.05 60.41 2ohm n THR 59 Cb 0.33 0.46 -0.03 0.00 -2.10 0.00 0.00 70.33 68.99 2ohm n THR 59 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2ohm s TYR 60 N -1.10 3.02 -0.12 4.78 5.04 -1.15 -4.41 117.35 123.40 2ohm s TYR 60 Ca 0.43 1.59 -0.04 0.00 -2.44 0.00 0.00 57.07 56.61 2ohm s TYR 60 Cb 0.23 -3.16 0.06 0.00 0.35 0.00 0.00 41.96 39.44 2ohm s TYR 60 CO 0.28 -0.97 0.19 1.03 -1.34 0.00 0.00 175.55 174.74 2ohm s ARG 61 N -2.93 0.08 0.05 4.97 0.52 -0.42 -4.98 118.95 116.24 2ohm s ARG 61 Ca 0.65 0.53 -0.31 0.00 -0.52 0.00 0.00 55.73 56.08 2ohm s ARG 61 Cb -0.21 -0.41 -0.05 0.00 0.52 0.00 0.00 34.95 34.79 2ohm s ARG 61 CO 0.25 -0.37 1.21 0.34 0.02 0.00 0.00 175.30 176.75 2ohm s ASP 62 N 2.32 7.07 0.00 0.23 2.15 -1.26 -0.99 116.67 126.19 2ohm s ASP 62 Ca 0.03 2.00 0.30 0.00 0.43 0.00 0.00 52.55 55.31 2ohm s ASP 62 Cb -0.13 -2.58 1.39 0.00 -0.30 0.00 0.00 42.92 41.31 2ohm s ASP 62 CO -0.07 -0.49 1.94 0.18 -0.17 0.00 0.00 175.17 176.55 2ohm n LEU 63 N 4.11 0.84 -3.85 -1.34 4.77 -0.80 -4.93 117.00 115.80 2ohm n LEU 63 Ca 0.09 -0.27 -0.27 0.00 -0.03 0.00 0.00 56.01 55.54 2ohm n LEU 63 Cb 0.46 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 2ohm n LEU 63 CO 0.56 0.14 -0.17 0.54 -1.33 0.00 0.00 177.39 177.13 2ohm n ARG 64 N -0.37 -2.90 -3.70 3.23 1.74 -1.25 -4.97 116.66 108.44 2ohm n ARG 64 Ca 0.21 0.44 -0.10 0.00 -0.77 0.00 0.00 57.85 57.62 2ohm n ARG 64 Cb 0.25 -4.47 -0.06 0.00 -1.02 0.00 0.00 32.46 27.17 2ohm n ARG 64 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2ohm s LYS 65 N -6.33 0.97 0.38 5.56 2.20 -1.26 -5.05 119.74 116.21 2ohm s LYS 65 Ca 0.14 -0.70 0.08 0.00 -0.36 0.00 0.00 55.97 55.12 2ohm s LYS 65 Cb -0.05 0.42 -0.04 0.00 -1.51 0.00 0.00 37.83 36.65 2ohm s LYS 65 CO 0.87 -0.36 0.20 0.20 -0.36 0.00 0.00 175.35 175.91 2ohm s GLY 66 N -2.65 2.13 -0.02 5.54 0.00 -1.26 -1.32 107.32 109.73 2ohm s GLY 66 Ca 0.02 -1.94 0.00 0.00 0.00 0.00 0.00 44.72 42.80 2ohm s GLY 66 CO -0.10 -1.80 0.00 -1.34 0.00 0.00 0.00 173.10 169.86 2ohm s VAL 67 N -2.50 0.15 -0.12 1.40 -7.23 -0.54 -4.82 120.40 106.74 2ohm s VAL 67 Ca 0.41 0.08 0.02 0.00 -1.81 0.00 0.00 61.98 60.68 2ohm s VAL 67 Cb -0.00 -0.23 -0.00 0.00 0.56 0.00 0.00 36.38 36.70 2ohm s VAL 67 CO 0.24 0.13 -0.20 -0.47 -0.31 0.00 0.00 175.10 174.49 2ohm s TYR 68 N 0.90 2.67 -0.29 2.82 6.14 -1.26 -0.86 117.35 127.47 2ohm s TYR 68 Ca -0.09 -0.94 -0.02 0.00 0.64 0.00 0.00 57.07 56.66 2ohm s TYR 68 Cb -0.12 -1.78 0.09 0.00 0.42 0.00 0.00 41.96 40.58 2ohm s TYR 68 CO -0.02 -0.37 0.10 0.08 0.64 0.00 0.00 175.55 175.98 2ohm s VAL 69 N 0.42 0.58 0.37 3.14 1.01 0.76 -4.98 120.40 121.69 2ohm s VAL 69 Ca -0.14 -1.12 0.01 0.00 0.00 0.00 0.00 61.98 60.73 2ohm s VAL 69 Cb -0.17 -1.40 -0.02 0.00 0.00 0.00 0.00 36.38 34.79 2ohm s VAL 69 CO 0.06 -0.63 0.56 -2.16 0.00 0.00 0.00 175.10 172.94 2ohm s PRO 70 N 1.78 3.35 0.00 2.72 0.04 -1.26 -0.41 135.00 141.22 2ohm s PRO 70 Ca 0.08 -0.44 0.00 0.00 0.04 0.00 0.00 61.00 60.68 2ohm s PRO 70 Cb -0.17 -2.66 0.00 0.00 0.04 0.00 0.00 34.50 31.71 2ohm s PRO 70 CO -0.26 0.05 0.00 0.66 0.04 0.00 0.00 177.00 177.49 2ohm n TYR 71 N -1.83 0.00 -3.93 0.56 4.02 0.22 -4.92 117.16 111.28 2ohm n TYR 71 Ca -0.03 0.00 -0.29 0.00 -0.01 0.00 0.00 57.90 57.57 2ohm n TYR 71 Cb 0.57 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.73 2ohm n TYR 71 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 2ohm s THR 72 N 1.54 1.33 -0.58 -0.72 2.01 -1.26 -4.45 115.64 113.51 2ohm s THR 72 Ca 0.00 -0.83 0.01 0.00 0.31 0.00 0.00 61.69 61.18 2ohm s THR 72 Cb 0.00 -1.49 0.43 0.00 0.01 0.00 0.00 72.50 71.45 2ohm s THR 72 CO 0.00 0.11 1.73 0.00 -0.69 0.00 0.00 174.62 175.77 2ohm n GLN 73 N 4.79 3.01 -1.91 4.92 6.02 -1.26 -5.04 117.38 127.91 2ohm n GLN 73 Ca -0.13 -3.67 -0.32 0.00 -0.01 0.00 0.00 57.00 52.87 2ohm n GLN 73 Cb 0.47 -2.28 0.02 0.00 1.02 0.00 0.00 30.24 29.47 2ohm n GLN 73 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 2ohm s GLY 74 N -2.33 2.02 -0.00 1.08 0.00 -1.26 -4.74 107.32 102.09 2ohm s GLY 74 Ca 0.58 0.34 -0.22 0.00 0.00 0.00 0.00 44.72 45.41 2ohm s GLY 74 CO -0.08 0.66 0.50 -1.59 0.00 0.00 0.00 173.10 172.58 2ohm s LYS 75 N -4.29 0.92 0.13 2.90 0.00 0.31 0.69 119.74 120.40 2ohm s LYS 75 Ca 0.63 -0.09 0.03 0.00 0.00 0.00 0.00 55.97 56.53 2ohm s LYS 75 Cb -0.16 0.42 -0.04 0.00 0.00 0.00 0.00 37.83 38.05 2ohm s LYS 75 CO 0.41 -0.30 -0.06 1.67 0.00 0.00 0.00 175.35 177.08 2ohm s TRP 76 N -1.76 1.09 -0.16 1.78 1.48 0.45 0.13 118.94 121.95 2ohm s TRP 76 Ca -0.09 -0.90 -0.13 0.00 -1.06 0.00 0.00 56.10 53.92 2ohm s TRP 76 Cb -0.02 -0.60 0.04 0.00 -1.16 0.00 0.00 33.47 31.73 2ohm s TRP 76 CO 0.03 -0.10 0.41 -2.00 -4.06 0.00 0.00 176.95 171.23 2ohm s GLU 77 N -3.83 0.45 0.26 3.25 2.12 0.44 -0.17 118.70 121.23 2ohm s GLU 77 Ca 0.17 0.63 -0.12 0.00 0.36 0.00 0.00 54.97 56.00 2ohm s GLU 77 Cb 0.05 0.16 0.05 0.00 0.26 0.00 0.00 34.13 34.65 2ohm s GLU 77 CO -0.01 -0.08 0.61 0.41 -0.54 0.00 0.00 175.26 175.65 2ohm n GLY 78 N 3.24 1.16 3.09 -1.50 0.00 -0.04 -1.10 105.19 110.04 2ohm n GLY 78 Ca -0.16 -1.17 -0.31 0.00 0.00 0.00 0.00 46.02 44.38 2ohm n GLY 78 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ohm s GLU 79 N -2.06 2.65 0.38 1.61 2.02 -0.25 -1.47 118.70 121.58 2ohm s GLU 79 Ca 0.13 -0.71 -0.25 0.00 0.02 0.00 0.00 54.97 54.15 2ohm s GLU 79 Cb -0.03 -2.26 -0.09 0.00 0.10 0.00 0.00 34.13 31.85 2ohm s GLU 79 CO 0.08 -0.13 1.13 -0.51 0.02 0.00 0.00 175.26 175.84 2ohm s LEU 80 N 1.15 4.23 0.00 1.80 1.43 -0.44 -1.59 118.68 125.25 2ohm s LEU 80 Ca -0.01 2.25 -0.02 0.00 -1.03 0.00 0.00 54.13 55.33 2ohm s LEU 80 Cb -0.14 -4.01 0.01 0.00 0.03 0.00 0.00 46.19 42.08 2ohm s LEU 80 CO -0.07 -0.55 0.10 0.61 0.23 0.00 0.00 176.35 176.67 2ohm n GLY 81 N 0.63 2.13 3.10 -3.19 0.00 -0.07 -1.90 105.19 105.89 2ohm n GLY 81 Ca 0.04 -1.13 -0.09 0.00 0.00 0.00 0.00 46.02 44.83 2ohm n GLY 81 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ohm s THR 82 N -2.78 0.14 0.20 2.61 -4.23 -0.16 -1.08 115.64 110.34 2ohm s THR 82 Ca 0.03 -1.14 -0.22 0.00 -1.18 0.00 0.00 61.69 59.18 2ohm s THR 82 Cb -0.01 -0.88 0.07 0.00 1.34 0.00 0.00 72.50 73.02 2ohm s THR 82 CO 0.02 -0.63 0.96 -0.62 -0.54 0.00 0.00 174.62 173.81 2ohm s ASP 83 N -2.12 -0.09 -0.43 3.99 -1.08 -1.04 -1.30 116.67 114.59 2ohm s ASP 83 Ca -0.05 -0.62 -0.23 0.00 -0.52 0.00 0.00 52.55 51.13 2ohm s ASP 83 Cb -0.01 0.55 0.02 0.00 -1.46 0.00 0.00 42.92 42.02 2ohm s ASP 83 CO -0.05 -1.06 0.77 -0.76 0.52 0.00 0.00 175.17 174.60 2ohm s LEU 84 N -3.14 4.25 -0.06 -1.34 1.43 -1.26 -1.84 118.68 116.72 2ohm s LEU 84 Ca 0.16 -0.05 -0.06 0.00 -1.03 0.00 0.00 54.13 53.15 2ohm s LEU 84 Cb -0.03 -2.96 -0.04 0.00 0.03 0.00 0.00 46.19 43.20 2ohm s LEU 84 CO 0.05 -0.88 0.19 -0.69 0.23 0.00 0.00 176.35 175.25 2ohm s VAL 85 N 3.23 5.43 0.04 -1.59 1.01 0.17 -1.46 120.40 127.22 2ohm s VAL 85 Ca 0.30 0.14 -0.02 0.00 0.00 0.00 0.00 61.98 62.39 2ohm s VAL 85 Cb -0.12 -3.49 -0.02 0.00 0.00 0.00 0.00 36.38 32.75 2ohm s VAL 85 CO 0.22 0.49 0.02 -0.55 0.00 0.00 0.00 175.10 175.28 2ohm s SER 86 N -1.40 0.30 -0.39 3.32 0.15 0.10 -0.96 113.70 114.82 2ohm s SER 86 Ca 0.21 -0.69 0.03 0.00 0.70 0.00 0.00 55.95 56.20 2ohm s SER 86 Cb -0.13 0.18 0.11 0.00 -1.71 0.00 0.00 66.02 64.48 2ohm s SER 86 CO 0.11 -0.49 0.14 -0.63 1.20 0.00 0.00 173.24 173.57 2ohm s ILE 87 N -2.77 1.86 0.22 6.45 1.01 -1.26 0.29 121.20 126.99 2ohm s ILE 87 Ca -0.04 -2.38 -0.15 0.00 0.00 0.00 0.00 60.65 58.09 2ohm s ILE 87 Cb -0.00 -2.34 0.26 0.00 0.01 0.00 0.00 42.46 40.38 2ohm s ILE 87 CO -0.06 -0.72 1.44 -2.65 0.00 0.00 0.00 174.94 172.96 2ohm n PRO 88 N 4.01 -0.20 -1.57 2.79 -0.02 -1.26 0.20 135.00 138.95 2ohm n PRO 88 Ca 0.04 1.43 -0.35 0.00 -2.02 0.00 0.00 63.50 62.60 2ohm n PRO 88 Cb 0.38 -2.12 0.06 0.00 -0.02 0.00 0.00 33.50 31.80 2ohm n PRO 88 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 2ohm n HIS 89 N -5.39 3.14 -3.21 6.00 8.25 -1.26 -4.88 115.22 117.87 2ohm n HIS 89 Ca 0.10 -2.79 0.00 0.00 -0.26 0.00 0.00 57.72 54.77 2ohm n HIS 89 Cb 0.39 -1.25 0.00 0.00 1.12 0.00 0.00 29.99 30.25 2ohm n HIS 89 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2ohm n GLY 90 N -0.79 6.56 3.73 -1.41 0.00 0.13 -4.22 105.19 109.19 2ohm n GLY 90 Ca 0.58 -1.92 -0.30 0.00 0.00 0.00 0.00 46.02 44.38 2ohm n GLY 90 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ohm s PRO 91 N 0.37 1.59 -1.13 1.61 0.04 -1.26 -4.90 135.00 131.31 2ohm s PRO 91 Ca 0.00 1.03 -0.17 0.00 0.04 0.00 0.00 61.00 61.91 2ohm s PRO 91 Cb 0.00 -1.83 0.13 0.00 0.04 0.00 0.00 34.50 32.84 2ohm s PRO 91 CO 0.00 -2.07 1.42 -0.80 0.04 0.00 0.00 177.00 175.59 2ohm s ASN 92 N -3.31 6.85 0.10 6.66 -0.87 -1.26 -4.63 114.94 118.47 2ohm s ASN 92 Ca 0.63 -2.47 -0.09 0.00 -1.57 0.00 0.00 52.86 49.36 2ohm s ASN 92 Cb -0.18 -2.45 -0.00 0.00 -0.02 0.00 0.00 41.25 38.59 2ohm s ASN 92 CO 0.57 -1.00 0.20 0.68 -2.57 0.00 0.00 177.10 174.98 2ohm s VAL 93 N 2.76 0.13 -0.03 1.60 -7.23 -1.26 -5.16 120.40 111.22 2ohm s VAL 93 Ca 0.43 -1.21 0.01 0.00 -1.81 0.00 0.00 61.98 59.40 2ohm s VAL 93 Cb -0.02 -1.41 0.01 0.00 0.56 0.00 0.00 36.38 35.53 2ohm s VAL 93 CO -0.02 -0.61 -0.05 -0.89 -0.31 0.00 0.00 175.10 173.23 2ohm s THR 94 N -3.88 0.49 0.10 5.32 2.01 -1.26 -4.47 115.64 113.95 2ohm s THR 94 Ca 0.07 -0.15 0.03 0.00 0.31 0.00 0.00 61.69 61.95 2ohm s THR 94 Cb 0.05 -0.49 -0.04 0.00 0.01 0.00 0.00 72.50 72.03 2ohm s THR 94 CO -0.10 0.19 -0.09 0.68 -0.69 0.00 0.00 174.62 174.61 2ohm s VAL 95 N 0.58 0.89 -0.51 3.82 -7.23 -0.14 -4.94 120.40 112.87 2ohm s VAL 95 Ca -0.07 -1.68 -0.17 0.00 -1.81 0.00 0.00 61.98 58.25 2ohm s VAL 95 Cb -0.11 -1.39 0.08 0.00 0.56 0.00 0.00 36.38 35.52 2ohm s VAL 95 CO -0.00 -0.61 0.53 -0.60 -0.31 0.00 0.00 175.10 174.12 2ohm s ARG 96 N -2.93 3.04 0.26 4.82 3.52 -1.26 0.42 118.95 126.81 2ohm s ARG 96 Ca 0.06 -1.24 0.10 0.00 -0.13 0.00 0.00 55.73 54.53 2ohm s ARG 96 Cb -0.02 -4.16 -0.04 0.00 -1.56 0.00 0.00 34.95 29.16 2ohm s ARG 96 CO -0.01 -1.21 -0.08 0.00 -0.81 0.00 0.00 175.30 173.19 2ohm s ALA 97 N 2.13 2.98 0.36 6.12 0.00 -0.77 -4.89 121.76 127.70 2ohm s ALA 97 Ca 0.09 -1.69 -0.28 0.00 0.00 0.00 0.00 51.96 50.07 2ohm s ALA 97 Cb -0.23 -0.60 -0.11 0.00 0.00 0.00 0.00 23.12 22.18 2ohm s ALA 97 CO 0.08 0.31 1.46 -0.80 0.00 0.00 0.00 175.76 176.80 2ohm s ASN 98 N -3.46 6.42 -0.04 0.00 0.01 -1.26 -2.51 114.94 114.10 2ohm s ASN 98 Ca 0.30 2.98 0.01 0.00 -0.71 0.00 0.00 52.86 55.44 2ohm s ASN 98 Cb -0.06 -2.66 0.02 0.00 0.41 0.00 0.00 41.25 38.95 2ohm s ASN 98 CO 0.17 -0.81 -0.05 -0.63 -1.51 0.00 0.00 177.10 174.27 2ohm s ILE 99 N -1.07 0.55 -0.37 0.60 1.01 -0.24 -4.69 121.20 116.99 2ohm s ILE 99 Ca 0.52 -0.15 -0.17 0.00 0.00 0.00 0.00 60.65 60.85 2ohm s ILE 99 Cb -0.45 -0.56 0.00 0.00 0.01 0.00 0.00 42.46 41.46 2ohm s ILE 99 CO 0.61 0.22 0.47 0.00 0.00 0.00 0.00 174.94 176.24 2ohm s ALA 100 N 0.77 3.46 -0.51 9.38 0.00 -0.46 -0.89 121.76 133.51 2ohm s ALA 100 Ca -0.10 -1.19 -0.28 0.00 0.00 0.00 0.00 51.96 50.38 2ohm s ALA 100 Cb -0.13 -3.00 0.02 0.00 0.00 0.00 0.00 23.12 20.00 2ohm s ALA 100 CO 0.00 -1.32 1.36 0.00 0.00 0.00 0.00 175.76 175.81 2ohm s ALA 101 N 2.28 2.93 -0.20 0.00 0.00 -0.62 -1.60 121.76 124.55 2ohm s ALA 101 Ca 0.16 -0.53 -0.29 0.00 0.00 0.00 0.00 51.96 51.30 2ohm s ALA 101 Cb -0.16 -4.03 -0.01 0.00 0.00 0.00 0.00 23.12 18.92 2ohm s ALA 101 CO 0.13 -2.69 1.30 0.42 0.00 0.00 0.00 175.76 174.93 2ohm s ILE 102 N 5.61 4.19 -0.16 0.00 1.01 0.63 -1.09 121.20 131.39 2ohm s ILE 102 Ca 0.53 1.41 0.07 0.00 0.00 0.00 0.00 60.65 62.67 2ohm s ILE 102 Cb -0.11 -4.01 -0.09 0.00 0.01 0.00 0.00 42.46 38.26 2ohm s ILE 102 CO 0.28 -0.23 0.22 0.35 0.00 0.00 0.00 174.94 175.56 2ohm n THR 103 N 5.65 0.00 -3.71 2.92 -2.24 -0.26 -1.07 114.28 115.57 2ohm n THR 103 Ca 0.14 -0.25 -0.12 0.00 -2.27 0.00 0.00 64.05 61.55 2ohm n THR 103 Cb 0.45 0.67 -0.10 0.00 -2.10 0.00 0.00 70.33 69.26 2ohm n THR 103 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2ohm s GLU 104 N -2.06 0.51 0.07 -0.78 2.12 -0.98 -4.95 118.70 112.64 2ohm s GLU 104 Ca -0.00 0.71 -0.09 0.00 0.36 0.00 0.00 54.97 55.95 2ohm s GLU 104 Cb 0.05 0.19 0.00 0.00 0.26 0.00 0.00 34.13 34.62 2ohm s GLU 104 CO 0.28 -0.09 0.20 -1.54 -0.54 0.00 0.00 175.26 173.56 2ohm s SER 105 N 0.61 0.07 -0.03 -1.70 1.04 -1.26 -0.42 113.70 112.01 2ohm s SER 105 Ca -0.03 -0.51 0.02 0.00 0.48 0.00 0.00 55.95 55.91 2ohm s SER 105 Cb -0.05 0.32 0.01 0.00 0.10 0.00 0.00 66.02 66.40 2ohm s SER 105 CO -0.04 -0.65 -0.07 -0.62 0.98 0.00 0.00 173.24 172.84 2ohm s ASP 106 N -2.50 1.07 -1.13 7.02 2.15 0.34 -4.84 116.67 118.78 2ohm s ASP 106 Ca 0.00 -0.16 0.00 0.00 0.43 0.00 0.00 52.55 52.82 2ohm s ASP 106 Cb 0.02 -0.40 0.00 0.00 -0.30 0.00 0.00 42.92 42.24 2ohm s ASP 106 CO -0.08 0.01 0.00 0.29 -0.17 0.00 0.00 175.17 175.22 2ohm n LYS 107 N 3.63 -2.01 -0.08 4.34 5.02 -1.26 0.11 118.16 127.91 2ohm n LYS 107 Ca -0.21 0.64 -0.07 0.00 -2.02 0.00 0.00 58.31 56.65 2ohm n LYS 107 Cb 0.53 -5.16 -0.02 0.00 -0.02 0.00 0.00 35.03 30.36 2ohm n LYS 107 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2ohm n PHE 108 N -3.07 0.43 -2.66 2.13 7.35 -1.26 -4.69 117.46 115.69 2ohm n PHE 108 Ca -0.14 0.19 -0.34 0.00 -0.76 0.00 0.00 57.45 56.39 2ohm n PHE 108 Cb 0.57 -0.62 -0.05 0.00 0.35 0.00 0.00 39.48 39.73 2ohm n PHE 108 CO 0.00 0.00 0.00 -0.06 -0.76 0.00 0.00 176.76 175.94 2ohm s PHE 109 N -2.56 3.22 -0.22 -5.13 0.08 -1.26 -5.02 117.98 107.09 2ohm s PHE 109 Ca -0.22 1.62 -0.06 0.00 0.12 0.00 0.00 56.93 58.39 2ohm s PHE 109 Cb 0.03 -2.99 -0.03 0.00 -0.57 0.00 0.00 43.02 39.46 2ohm s PHE 109 CO 0.32 -0.45 0.03 0.42 -0.10 0.00 0.00 175.22 175.44 2ohm s ILE 110 N -1.95 4.17 0.06 0.64 1.01 -1.26 -5.06 121.20 118.81 2ohm s ILE 110 Ca 0.62 -0.23 -0.31 0.00 0.00 0.00 0.00 60.65 60.73 2ohm s ILE 110 Cb -0.15 -2.91 -0.08 0.00 0.01 0.00 0.00 42.46 39.33 2ohm s ILE 110 CO 0.20 0.39 1.64 0.21 0.00 0.00 0.00 174.94 177.38 2ohm s ASN 111 N 1.20 6.62 0.00 3.58 2.47 -1.26 -1.74 114.94 125.81 2ohm s ASN 111 Ca 0.04 2.44 0.00 0.00 0.42 0.00 0.00 52.86 55.76 2ohm s ASN 111 Cb -0.14 -2.56 0.00 0.00 -1.45 0.00 0.00 41.25 37.09 2ohm s ASN 111 CO 0.02 -0.88 0.00 0.61 -3.72 0.00 0.00 177.10 173.13 2ohm n GLY 112 N 3.98 2.68 3.70 1.21 0.00 -1.26 -5.07 105.19 110.43 2ohm n GLY 112 Ca 0.16 -0.42 -0.30 0.00 0.00 0.00 0.00 46.02 45.45 2ohm n GLY 112 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ohm s SER 113 N 0.27 3.47 -0.26 1.61 1.04 -0.71 -4.97 113.70 114.16 2ohm s SER 113 Ca 0.00 1.77 0.09 0.00 0.48 0.00 0.00 55.95 58.29 2ohm s SER 113 Cb 0.00 -2.39 0.44 0.00 0.10 0.00 0.00 66.02 64.17 2ohm s SER 113 CO 0.00 -2.68 1.26 -3.20 0.98 0.00 0.00 173.24 169.60 2ohm n ASN 114 N -3.94 2.96 -4.37 7.02 4.05 -1.26 -4.84 115.26 114.89 2ohm n ASN 114 Ca 0.08 -3.84 -0.22 0.00 0.45 0.00 0.00 54.58 51.05 2ohm n ASN 114 Cb 0.54 -0.49 -0.11 0.00 1.23 0.00 0.00 39.78 40.95 2ohm n ASN 114 CO 0.00 0.00 0.00 -1.66 -3.05 0.00 0.00 177.26 172.55 2ohm s TRP 115 N -3.37 1.93 0.00 1.20 1.48 -1.26 -4.65 118.94 114.27 2ohm s TRP 115 Ca 0.44 -0.46 0.00 0.00 -1.06 0.00 0.00 56.10 55.02 2ohm s TRP 115 Cb 0.39 -0.92 0.00 0.00 -1.16 0.00 0.00 33.47 31.78 2ohm s TRP 115 CO -0.03 0.42 0.26 0.39 -4.06 0.00 0.00 176.95 173.94 2ohm n GLU 116 N -0.03 0.07 -3.87 3.25 4.71 0.40 -4.83 120.64 120.35 2ohm n GLU 116 Ca -0.10 -0.26 -0.10 0.00 -0.01 0.00 0.00 57.16 56.69 2ohm n GLU 116 Cb 0.58 -0.73 0.01 0.00 -1.01 0.00 0.00 31.44 30.29 2ohm n GLU 116 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 2ohm s GLY 117 N -0.08 0.63 -0.01 0.62 0.00 -1.20 -0.22 107.32 107.06 2ohm s GLY 117 Ca 0.00 -0.93 0.05 0.00 0.00 0.00 0.00 44.72 43.84 2ohm s GLY 117 CO 0.00 -0.47 -0.15 -1.50 0.00 0.00 0.00 173.10 170.98 2ohm s ILE 118 N -2.43 1.19 -0.41 0.90 2.07 0.52 -0.17 121.20 122.88 2ohm s ILE 118 Ca 0.19 -0.66 -0.00 0.00 -1.41 0.00 0.00 60.65 58.77 2ohm s ILE 118 Cb -0.04 -1.00 0.11 0.00 0.13 0.00 0.00 42.46 41.67 2ohm s ILE 118 CO 0.14 0.33 0.18 -0.22 -1.91 0.00 0.00 174.94 173.45 2ohm s LEU 119 N -0.38 5.05 -0.26 8.50 2.96 0.13 -1.97 118.68 132.70 2ohm s LEU 119 Ca 0.06 -2.19 -0.29 0.00 -0.22 0.00 0.00 54.13 51.49 2ohm s LEU 119 Cb -0.06 -1.76 0.00 0.00 0.50 0.00 0.00 46.19 44.88 2ohm s LEU 119 CO -0.01 -0.46 1.20 -0.83 -1.32 0.00 0.00 176.35 174.93 2ohm s GLY 120 N 1.33 1.53 0.00 7.98 0.00 0.15 -1.39 107.32 116.93 2ohm s GLY 120 Ca 0.10 0.16 0.15 0.00 0.00 0.00 0.00 44.72 45.13 2ohm s GLY 120 CO -0.05 2.43 0.70 1.04 0.00 0.00 0.00 173.10 177.22 2ohm n LEU 121 N 7.00 1.04 0.00 0.66 4.77 0.35 -4.00 117.00 126.83 2ohm n LEU 121 Ca 0.13 -0.61 -0.02 0.00 -0.03 0.00 0.00 56.01 55.48 2ohm n LEU 121 Cb 0.46 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.57 2ohm n LEU 121 CO 0.59 0.22 0.05 0.00 -1.33 0.00 0.00 177.39 176.93 2ohm n ALA 122 N -0.86 -0.24 -2.23 -1.18 0.00 -0.27 -4.93 120.51 110.80 2ohm n ALA 122 Ca 0.04 -0.13 -0.19 0.00 0.00 0.00 0.00 53.44 53.15 2ohm n ALA 122 Cb 0.26 -0.01 0.01 0.00 0.00 0.00 0.00 19.45 19.72 2ohm n ALA 122 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2ohm s TYR 123 N -1.18 3.01 0.46 0.00 2.02 0.13 -4.50 117.35 117.29 2ohm s TYR 123 Ca 0.06 -0.15 0.15 0.00 -0.37 0.00 0.00 57.07 56.75 2ohm s TYR 123 Cb -0.00 -2.29 1.10 0.00 -0.40 0.00 0.00 41.96 40.37 2ohm s TYR 123 CO 0.04 -0.33 2.03 0.00 -1.57 0.00 0.00 175.55 175.73 2ohm h ALA 124 N 0.60 2.03 -0.25 3.71 0.00 -1.84 -2.70 119.26 120.81 2ohm h ALA 124 Ca -0.44 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.53 2ohm h ALA 124 Cb 1.27 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2ohm h ALA 124 CO 0.51 -0.11 0.27 1.49 0.00 0.00 0.00 179.25 181.41 2ohm h GLU 125 N 0.29 0.00 -0.24 0.00 4.81 -1.88 0.15 114.58 117.70 2ohm h GLU 125 Ca 0.19 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 2ohm h GLU 125 Cb 0.38 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.76 2ohm h GLU 125 CO -0.04 0.00 0.00 0.44 -0.73 0.00 0.00 179.01 178.68 2ohm n ILE 126 N -3.80 2.02 -2.77 2.32 -5.35 -1.02 -4.73 119.36 106.02 2ohm n ILE 126 Ca 0.03 -1.75 -0.42 0.00 -0.27 0.00 0.00 62.75 60.34 2ohm n ILE 126 Cb 0.40 -0.11 -0.03 0.00 -1.74 0.00 0.00 39.64 38.16 2ohm n ILE 126 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2ohm s ALA 127 N -2.50 3.41 0.18 -1.28 0.00 0.04 -4.57 121.76 117.04 2ohm s ALA 127 Ca 0.37 0.27 -0.25 0.00 0.00 0.00 0.00 51.96 52.35 2ohm s ALA 127 Cb 0.29 -3.33 -0.08 0.00 0.00 0.00 0.00 23.12 20.00 2ohm s ALA 127 CO 0.09 -0.55 0.78 1.03 0.00 0.00 0.00 175.76 177.11 2ohm s ARG 128 N 1.89 4.56 0.24 0.00 3.00 -1.26 -1.69 118.95 125.68 2ohm s ARG 128 Ca 0.45 1.15 0.13 0.00 0.00 0.00 0.00 55.73 57.46 2ohm s ARG 128 Cb -0.18 -3.23 0.08 0.00 0.00 0.00 0.00 34.95 31.62 2ohm s ARG 128 CO 0.17 0.55 1.44 -1.00 0.00 0.00 0.00 175.30 176.46 2ohm h PRO 129 N 4.23 0.00 -2.98 3.54 0.13 -1.94 -3.48 132.00 131.51 2ohm h PRO 129 Ca -0.47 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.71 2ohm h PRO 129 Cb 1.20 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.30 2ohm h PRO 129 CO 0.66 0.66 0.25 0.16 -0.23 0.00 0.00 178.00 179.50 2ohm s ASP 130 N -6.56 -0.18 0.00 1.44 3.84 -0.68 -5.04 116.67 109.48 2ohm s ASP 130 Ca 0.02 -0.76 0.05 0.00 -0.00 0.00 0.00 52.55 51.87 2ohm s ASP 130 Cb 0.09 0.76 0.28 0.00 -1.38 0.00 0.00 42.92 42.67 2ohm s ASP 130 CO 0.76 -1.43 1.00 -0.90 -0.00 0.00 0.00 175.17 174.60 2ohm n ASP 131 N -0.73 0.00 0.11 2.11 5.68 -1.25 -0.83 116.55 121.64 2ohm n ASP 131 Ca -0.05 0.18 0.02 0.00 -0.50 0.00 0.00 54.79 54.44 2ohm n ASP 131 Cb 0.59 -0.26 0.38 0.00 -1.14 0.00 0.00 41.12 40.69 2ohm n ASP 131 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 2ohm h SER 132 N 0.00 0.23 -2.09 -1.12 4.64 -1.90 -3.40 113.55 109.91 2ohm h SER 132 Ca 0.00 -0.05 -0.55 0.00 -0.47 0.00 0.00 61.79 60.72 2ohm h SER 132 Cb 0.05 -0.06 -0.08 0.00 -0.31 0.00 0.00 62.40 61.99 2ohm h SER 132 CO 0.00 0.40 1.15 -0.22 -0.87 0.00 0.00 176.83 177.29 2ohm s LEU 133 N -8.75 3.23 -0.00 5.97 2.96 -0.01 -4.95 118.68 117.14 2ohm s LEU 133 Ca -0.05 -0.64 -0.30 0.00 -0.22 0.00 0.00 54.13 52.91 2ohm s LEU 133 Cb 0.15 -2.56 -0.07 0.00 0.50 0.00 0.00 46.19 44.21 2ohm s LEU 133 CO 0.73 -1.79 1.70 -0.70 -1.32 0.00 0.00 176.35 174.98 2ohm s GLU 134 N 5.61 4.18 1.02 1.98 2.12 -1.26 -4.89 118.70 127.47 2ohm s GLU 134 Ca 0.38 2.30 -0.11 0.00 0.36 0.00 0.00 54.97 57.90 2ohm s GLU 134 Cb -0.06 -3.90 0.20 0.00 0.26 0.00 0.00 34.13 30.63 2ohm s GLU 134 CO 0.10 -0.83 1.09 -2.30 -0.54 0.00 0.00 175.26 172.78 2ohm n PRO 135 N 6.74 -1.26 0.02 4.30 -0.02 -1.26 -4.49 135.00 139.03 2ohm n PRO 135 Ca 0.17 -0.31 -0.11 0.00 -2.02 0.00 0.00 63.50 61.23 2ohm n PRO 135 Cb 0.42 -2.29 -0.06 0.00 -0.02 0.00 0.00 33.50 31.55 2ohm n PRO 135 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 2ohm h PHE 136 N -2.21 0.01 -0.52 6.00 3.57 -1.81 -2.10 116.94 119.88 2ohm h PHE 136 Ca -0.50 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 60.93 2ohm h PHE 136 Cb 1.29 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.01 2ohm h PHE 136 CO 0.41 0.00 0.05 0.35 -2.23 0.00 0.00 178.31 176.89 2ohm h PHE 137 N 0.03 0.88 -0.66 0.41 3.57 -1.92 0.11 116.94 119.36 2ohm h PHE 137 Ca 0.02 -0.11 0.04 0.00 3.53 0.00 0.00 57.97 61.45 2ohm h PHE 137 Cb 0.02 -0.25 -0.05 0.00 2.79 0.00 0.00 35.95 38.47 2ohm h PHE 137 CO -0.10 0.78 0.39 -0.44 -2.23 0.00 0.00 178.31 176.71 2ohm h ASP 138 N 0.79 0.62 -0.86 0.41 3.45 -1.87 -1.97 116.42 116.98 2ohm h ASP 138 Ca 0.16 0.01 -0.01 0.00 0.43 0.00 0.00 57.03 57.62 2ohm h ASP 138 Cb 0.40 -0.12 -0.04 0.00 -0.56 0.00 0.00 39.33 39.02 2ohm h ASP 138 CO 0.01 0.42 0.50 0.28 -1.57 0.00 0.00 179.24 178.88 2ohm h SER 139 N 0.75 1.06 -0.38 6.45 0.02 -0.47 -1.08 113.55 119.90 2ohm h SER 139 Ca 0.27 -0.08 -0.08 0.00 -0.84 0.00 0.00 61.79 61.07 2ohm h SER 139 Cb 0.08 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.34 2ohm h SER 139 CO -0.13 0.83 -0.08 0.25 -1.14 0.00 0.00 176.83 176.56 2ohm h LEU 140 N 1.20 0.72 0.03 5.07 5.85 -0.25 -2.39 115.31 125.54 2ohm h LEU 140 Ca 0.31 -0.36 -0.28 0.00 0.84 0.00 0.00 57.88 58.40 2ohm h LEU 140 Cb -0.02 -0.20 0.02 0.00 0.37 0.00 0.00 40.66 40.84 2ohm h LEU 140 CO -0.05 0.91 -1.10 0.58 -0.34 0.00 0.00 178.44 178.43 2ohm h VAL 141 N 0.52 1.28 0.00 1.05 2.07 -1.32 -2.51 116.25 117.33 2ohm h VAL 141 Ca 0.10 -2.30 -0.02 0.00 0.82 0.00 0.00 66.70 65.30 2ohm h VAL 141 Cb 0.58 2.46 -0.00 0.00 -1.52 0.00 0.00 31.29 32.81 2ohm h VAL 141 CO 0.03 0.71 -0.09 0.50 0.02 0.00 0.00 177.57 178.74 2ohm h LYS 142 N 0.37 0.00 -0.01 1.57 3.64 -1.19 -3.12 116.57 117.83 2ohm h LYS 142 Ca -0.15 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 2ohm h LYS 142 Cb 1.76 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.58 2ohm h LYS 142 CO 0.21 0.09 -0.22 1.04 -2.27 0.00 0.00 179.45 178.30 2ohm n GLN 143 N -4.24 1.72 -4.20 1.90 6.02 -0.90 -5.02 117.38 112.65 2ohm n GLN 143 Ca -0.03 -0.80 -0.20 0.00 -0.01 0.00 0.00 57.00 55.96 2ohm n GLN 143 Cb 0.17 -1.19 -0.07 0.00 1.02 0.00 0.00 30.24 30.17 2ohm n GLN 143 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2ohm n THR 144 N -0.03 0.00 1.03 5.09 -2.24 -0.95 -5.02 114.28 112.16 2ohm n THR 144 Ca 0.06 -2.35 0.10 0.00 -2.27 0.00 0.00 64.05 59.58 2ohm n THR 144 Cb 0.28 1.10 0.32 0.00 -2.10 0.00 0.00 70.33 69.93 2ohm n THR 144 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2ohm n HIS 145 N -0.68 0.30 -1.67 4.78 8.25 -1.26 -4.78 115.22 120.17 2ohm n HIS 145 Ca 0.05 -0.15 -0.46 0.00 -0.26 0.00 0.00 57.72 56.90 2ohm n HIS 145 Cb 0.59 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.66 2ohm n HIS 145 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2ohm n VAL 146 N 0.52 0.66 -1.91 1.59 0.31 -1.26 -4.93 118.33 113.30 2ohm n VAL 146 Ca 0.16 -0.13 -0.37 0.00 -0.01 0.00 0.00 64.34 63.99 2ohm n VAL 146 Cb 0.36 -2.09 0.04 0.00 -0.91 0.00 0.00 33.84 31.24 2ohm n VAL 146 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 2ohm s PRO 147 N 4.37 3.00 -1.31 5.55 0.02 -1.26 -4.54 135.00 140.83 2ohm s PRO 147 Ca 0.92 1.99 -0.16 0.00 0.02 0.00 0.00 61.00 63.76 2ohm s PRO 147 Cb -0.57 -2.04 0.00 0.00 0.02 0.00 0.00 34.50 31.91 2ohm s PRO 147 CO 0.47 -1.23 2.13 -1.71 -0.33 0.00 0.00 177.00 176.33 2ohm n ASN 148 N -1.40 3.67 -3.59 2.53 5.15 -1.26 -4.39 115.26 115.96 2ohm n ASN 148 Ca 0.13 -2.81 -0.10 0.00 -0.60 0.00 0.00 54.58 51.19 2ohm n ASN 148 Cb 0.48 -1.56 -0.06 0.00 -0.53 0.00 0.00 39.78 38.11 2ohm n ASN 148 CO 0.00 0.00 0.00 -1.48 1.40 0.00 0.00 177.26 177.18 2ohm s LEU 149 N 2.34 -0.39 0.04 1.20 2.34 -1.26 -0.18 118.68 122.76 2ohm s LEU 149 Ca 0.50 0.52 -0.02 0.00 0.06 0.00 0.00 54.13 55.19 2ohm s LEU 149 Cb 0.13 1.87 -0.03 0.00 -0.56 0.00 0.00 46.19 47.60 2ohm s LEU 149 CO -0.03 -0.30 0.01 0.72 -1.06 0.00 0.00 176.35 175.69 2ohm s PHE 150 N -0.78 0.36 0.08 3.48 -0.71 -1.00 -1.26 117.98 118.16 2ohm s PHE 150 Ca -0.01 -0.78 0.06 0.00 -1.04 0.00 0.00 56.93 55.17 2ohm s PHE 150 Cb -0.02 -0.27 -0.03 0.00 -1.21 0.00 0.00 43.02 41.50 2ohm s PHE 150 CO -0.00 -0.33 -0.16 -1.54 -1.34 0.00 0.00 175.22 171.84 2ohm s SER 151 N -2.34 1.96 -0.12 1.98 1.04 -0.72 -0.21 113.70 115.27 2ohm s SER 151 Ca -0.02 -0.63 0.01 0.00 0.48 0.00 0.00 55.95 55.78 2ohm s SER 151 Cb 0.01 -0.08 0.02 0.00 0.10 0.00 0.00 66.02 66.07 2ohm s SER 151 CO -0.06 -0.03 -0.12 -0.76 0.98 0.00 0.00 173.24 173.25 2ohm s LEU 152 N -1.76 1.55 -0.40 2.42 1.43 -0.12 -1.72 118.68 120.07 2ohm s LEU 152 Ca 0.01 -0.40 -0.05 0.00 -1.03 0.00 0.00 54.13 52.66 2ohm s LEU 152 Cb -0.10 -1.03 0.10 0.00 0.03 0.00 0.00 46.19 45.18 2ohm s LEU 152 CO 0.03 -0.05 0.20 -1.58 0.23 0.00 0.00 176.35 175.18 2ohm s GLN 153 N 1.36 2.24 -0.21 1.70 0.74 -0.14 -1.71 119.66 123.64 2ohm s GLN 153 Ca 0.01 -1.67 -0.16 0.00 0.05 0.00 0.00 55.36 53.59 2ohm s GLN 153 Cb -0.13 -3.61 -0.04 0.00 1.10 0.00 0.00 33.01 30.33 2ohm s GLN 153 CO -0.07 -1.00 0.43 -0.51 -0.55 0.00 0.00 175.29 173.59 2ohm s LEU 154 N 1.24 4.14 0.00 3.68 1.43 -1.26 -0.43 118.68 127.48 2ohm s LEU 154 Ca 0.05 0.53 0.00 0.00 -1.03 0.00 0.00 54.13 53.68 2ohm s LEU 154 Cb -0.23 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.44 2ohm s LEU 154 CO -0.02 -0.12 0.00 0.00 0.23 0.00 0.00 176.35 176.44 2ohm n GLY 156 N 4.72 0.90 6.28 0.00 0.00 -1.23 -4.84 105.19 111.02 2ohm n GLY 156 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2ohm n GLY 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ohm n ALA 157 N 0.00 0.00 0.00 4.61 0.00 -1.26 -4.89 120.51 118.97 2ohm n ALA 157 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2ohm n ALA 157 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2ohm n ALA 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ohm n ALA 168 N 4.26 0.00 -2.65 0.00 0.00 -1.26 -4.96 120.51 115.90 2ohm n ALA 168 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 2ohm n ALA 168 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 2ohm n ALA 168 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2ohm s SER 169 N -2.88 6.76 0.46 0.00 0.15 -1.26 -2.01 113.70 114.92 2ohm s SER 169 Ca 0.00 0.93 0.00 0.00 0.70 0.00 0.00 55.95 57.58 2ohm s SER 169 Cb 0.00 -2.39 0.00 0.00 -1.71 0.00 0.00 66.02 61.92 2ohm s SER 169 CO 0.00 -0.38 0.69 0.68 1.20 0.00 0.00 173.24 175.43 2ohm s VAL 170 N 2.31 3.81 0.16 4.45 -7.23 -0.34 -4.86 120.40 118.70 2ohm s VAL 170 Ca 0.32 -0.51 -0.08 0.00 -1.81 0.00 0.00 61.98 59.89 2ohm s VAL 170 Cb -0.16 -3.41 -0.01 0.00 0.56 0.00 0.00 36.38 33.36 2ohm s VAL 170 CO 0.10 -0.29 0.25 -0.83 -0.31 0.00 0.00 175.10 174.01 2ohm s GLY 171 N -4.25 0.52 0.01 2.32 0.00 -1.26 -2.34 107.32 102.32 2ohm s GLY 171 Ca 0.50 -0.95 -0.06 0.00 0.00 0.00 0.00 44.72 44.21 2ohm s GLY 171 CO 0.38 -0.90 0.28 0.61 0.00 0.00 0.00 173.10 173.46 2ohm n GLY 172 N -0.19 0.76 2.84 0.20 0.00 -0.77 -1.21 105.19 106.83 2ohm n GLY 172 Ca -0.08 -0.92 -0.17 0.00 0.00 0.00 0.00 46.02 44.86 2ohm n GLY 172 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ohm s SER 173 N -1.63 0.43 -0.36 1.61 0.01 0.43 -1.89 113.70 112.30 2ohm s SER 173 Ca 0.06 -0.04 -0.02 0.00 1.31 0.00 0.00 55.95 57.27 2ohm s SER 173 Cb -0.00 -0.20 0.09 0.00 0.21 0.00 0.00 66.02 66.11 2ohm s SER 173 CO 0.00 -0.07 0.11 -0.32 0.41 0.00 0.00 173.24 173.38 2ohm s MET 174 N 0.80 2.09 -0.53 12.44 1.75 -1.26 -0.97 119.30 133.62 2ohm s MET 174 Ca -0.08 -1.63 -0.22 0.00 -1.25 0.00 0.00 55.69 52.51 2ohm s MET 174 Cb -0.11 -3.40 0.05 0.00 2.84 0.00 0.00 34.83 34.21 2ohm s MET 174 CO -0.01 -0.89 0.82 0.42 -0.65 0.00 0.00 175.02 174.70 2ohm s ILE 175 N 1.15 4.58 -0.30 10.11 -1.09 -0.70 -4.87 121.20 130.08 2ohm s ILE 175 Ca 0.04 0.02 -0.25 0.00 -2.23 0.00 0.00 60.65 58.22 2ohm s ILE 175 Cb -0.21 -4.44 0.00 0.00 -1.58 0.00 0.00 42.46 36.23 2ohm s ILE 175 CO -0.04 -0.98 0.88 -0.63 -1.23 0.00 0.00 174.94 172.95 2ohm s ILE 176 N 3.44 4.72 0.00 2.92 -1.09 -1.26 -1.76 121.20 128.16 2ohm s ILE 176 Ca 0.25 1.42 0.00 0.00 -2.23 0.00 0.00 60.65 60.09 2ohm s ILE 176 Cb -0.15 -4.22 0.00 0.00 -1.58 0.00 0.00 42.46 36.51 2ohm s ILE 176 CO 0.17 -0.28 0.00 0.61 -1.23 0.00 0.00 174.94 174.20 2ohm n GLY 177 N 4.01 0.76 0.00 6.18 0.00 -0.39 -4.73 105.19 111.02 2ohm n GLY 177 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2ohm n GLY 177 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ohm n GLY 178 N -2.02 1.01 2.87 -0.02 0.00 -1.24 -4.43 105.19 101.37 2ohm n GLY 178 Ca 0.00 -0.56 -0.19 0.00 0.00 0.00 0.00 46.02 45.26 2ohm n GLY 178 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ohm s ILE 179 N -1.96 0.44 -0.36 -0.61 1.01 -1.26 -3.94 121.20 114.52 2ohm s ILE 179 Ca 0.00 -0.07 -0.11 0.00 0.00 0.00 0.00 60.65 60.47 2ohm s ILE 179 Cb 0.00 -0.49 0.01 0.00 0.01 0.00 0.00 42.46 42.00 2ohm s ILE 179 CO 0.00 0.20 0.20 -0.62 0.00 0.00 0.00 174.94 174.72 2ohm s ASP 180 N 0.94 5.73 0.59 3.58 -1.08 -1.26 -4.97 116.67 120.19 2ohm s ASP 180 Ca -0.11 -0.82 0.37 0.00 -0.52 0.00 0.00 52.55 51.48 2ohm s ASP 180 Cb -0.14 -2.03 1.69 0.00 -1.46 0.00 0.00 42.92 40.98 2ohm s ASP 180 CO -0.00 -0.33 2.10 0.45 0.52 0.00 0.00 175.17 177.91 2ohm h HIS 181 N 8.43 0.00 0.00 -5.34 3.86 -1.99 -0.48 115.15 119.62 2ohm h HIS 181 Ca -0.28 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 58.92 2ohm h HIS 181 Cb 1.12 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.59 2ohm h HIS 181 CO 0.60 0.00 -0.05 0.66 0.86 0.00 0.00 177.93 180.00 2ohm h SER 182 N 0.00 0.00 0.76 2.45 4.64 -2.04 -3.20 113.55 116.17 2ohm h SER 182 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2ohm h SER 182 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 2ohm h SER 182 CO 0.00 0.05 -0.04 0.18 -0.87 0.00 0.00 176.83 176.15 2ohm n LEU 183 N -3.19 0.06 -3.83 5.97 4.77 -0.19 -4.78 117.00 115.81 2ohm n LEU 183 Ca -0.00 0.35 -0.12 0.00 -0.03 0.00 0.00 56.01 56.21 2ohm n LEU 183 Cb 0.30 -0.38 -0.09 0.00 -2.33 0.00 0.00 43.42 40.91 2ohm n LEU 183 CO 0.28 0.01 -0.09 -0.72 -1.33 0.00 0.00 177.39 175.54 2ohm s TYR 184 N -2.80 -0.04 0.31 -1.77 -0.85 -1.21 -0.45 117.35 110.55 2ohm s TYR 184 Ca 0.20 -0.00 0.07 0.00 -0.52 0.00 0.00 57.07 56.82 2ohm s TYR 184 Cb 0.19 0.01 -0.03 0.00 0.38 0.00 0.00 41.96 42.51 2ohm s TYR 184 CO 0.51 -0.34 0.27 0.95 -1.52 0.00 0.00 175.55 175.43 2ohm s THR 185 N -1.47 3.80 0.00 -3.49 -4.23 -0.73 -4.84 115.64 104.68 2ohm s THR 185 Ca -0.14 -1.36 0.00 0.00 -1.18 0.00 0.00 61.69 59.01 2ohm s THR 185 Cb -0.06 -3.25 0.00 0.00 1.34 0.00 0.00 72.50 70.52 2ohm s THR 185 CO 0.02 -0.22 0.00 0.61 -0.54 0.00 0.00 174.62 174.49 2ohm n GLY 186 N -1.33 1.01 3.71 3.99 0.00 -1.26 -3.94 105.19 107.37 2ohm n GLY 186 Ca -0.03 -0.68 -0.30 0.00 0.00 0.00 0.00 46.02 45.01 2ohm n GLY 186 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ohm s SER 187 N -4.00 5.19 0.10 1.61 0.15 -1.26 -4.97 113.70 110.51 2ohm s SER 187 Ca 0.00 -0.12 -0.30 0.00 0.70 0.00 0.00 55.95 56.23 2ohm s SER 187 Cb 0.00 -1.29 -0.06 0.00 -1.71 0.00 0.00 66.02 62.96 2ohm s SER 187 CO 0.00 0.18 1.18 -0.76 1.20 0.00 0.00 173.24 175.04 2ohm s LEU 188 N -2.32 4.40 0.04 3.45 1.43 -1.26 -4.50 118.68 119.92 2ohm s LEU 188 Ca 0.27 2.06 0.06 0.00 -1.03 0.00 0.00 54.13 55.48 2ohm s LEU 188 Cb -0.12 -3.59 -0.03 0.00 0.03 0.00 0.00 46.19 42.48 2ohm s LEU 188 CO 0.19 -0.41 -0.14 0.26 0.23 0.00 0.00 176.35 176.48 2ohm s TRP 189 N 0.68 2.66 -0.08 0.29 0.52 0.62 -4.87 118.94 118.75 2ohm s TRP 189 Ca 0.56 -0.19 0.03 0.00 0.02 0.00 0.00 56.10 56.52 2ohm s TRP 189 Cb -0.30 -1.50 -0.02 0.00 -1.15 0.00 0.00 33.47 30.51 2ohm s TRP 189 CO 0.31 0.30 -0.17 0.71 0.02 0.00 0.00 176.95 178.12 2ohm s TYR 190 N -0.98 2.67 0.00 -1.98 2.02 -1.26 0.13 117.35 117.95 2ohm s TYR 190 Ca 0.16 -0.53 0.03 0.00 -0.37 0.00 0.00 57.07 56.36 2ohm s TYR 190 Cb -0.11 -1.71 -0.03 0.00 -0.40 0.00 0.00 41.96 39.71 2ohm s TYR 190 CO 0.07 -0.10 -0.08 -0.08 -1.57 0.00 0.00 175.55 173.79 2ohm s THR 191 N -0.12 3.57 0.42 -0.71 -1.32 0.86 -3.39 115.64 114.95 2ohm s THR 191 Ca -0.03 -0.80 -0.25 0.00 -1.21 0.00 0.00 61.69 59.41 2ohm s THR 191 Cb -0.14 -2.54 -0.08 0.00 -1.51 0.00 0.00 72.50 68.23 2ohm s THR 191 CO 0.04 0.40 1.26 -2.84 -2.21 0.00 0.00 174.62 171.27 2ohm s PRO 192 N -1.39 3.88 -0.49 7.08 0.02 -1.26 -0.74 135.00 142.09 2ohm s PRO 192 Ca 0.17 2.05 -0.29 0.00 0.02 0.00 0.00 61.00 62.95 2ohm s PRO 192 Cb -0.11 -2.65 0.02 0.00 0.02 0.00 0.00 34.50 31.79 2ohm s PRO 192 CO 0.07 -0.53 1.23 0.42 -0.33 0.00 0.00 177.00 177.86 2ohm s ILE 193 N -1.33 4.07 0.17 2.83 1.01 -0.30 -4.53 121.20 123.11 2ohm s ILE 193 Ca 0.59 1.05 -0.12 0.00 0.00 0.00 0.00 60.65 62.17 2ohm s ILE 193 Cb -0.36 -4.54 0.07 0.00 0.01 0.00 0.00 42.46 37.64 2ohm s ILE 193 CO 0.45 -1.05 1.70 -0.09 0.00 0.00 0.00 174.94 175.95 2ohm h ARG 194 N 9.76 0.89 -3.41 2.79 2.43 -1.06 -3.43 114.38 122.36 2ohm h ARG 194 Ca -0.25 -0.19 -0.14 0.00 -0.81 0.00 0.00 59.98 58.60 2ohm h ARG 194 Cb 1.07 -0.13 -0.21 0.00 -0.42 0.00 0.00 29.97 30.28 2ohm h ARG 194 CO 1.14 0.80 -0.45 0.50 -1.51 0.00 0.00 179.97 180.44 2ohm s ARG 195 N -5.44 0.50 -1.34 0.20 3.52 -1.26 -5.07 118.95 110.06 2ohm s ARG 195 Ca -0.13 -0.31 -0.14 0.00 -0.13 0.00 0.00 55.73 55.02 2ohm s ARG 195 Cb 0.13 0.21 0.09 0.00 -1.56 0.00 0.00 34.95 33.82 2ohm s ARG 195 CO 0.80 -0.12 1.91 0.39 -0.81 0.00 0.00 175.30 177.47 2ohm n GLU 196 N 1.54 3.17 0.00 5.12 1.02 -1.26 -4.07 120.64 126.16 2ohm n GLU 196 Ca -0.22 -3.15 0.00 0.00 -0.02 0.00 0.00 57.16 53.77 2ohm n GLU 196 Cb 0.56 -3.25 0.00 0.00 -0.02 0.00 0.00 31.44 28.73 2ohm n GLU 196 CO 0.00 0.00 0.00 -2.67 1.18 0.00 0.00 177.13 175.64 2ohm n TRP 197 N 6.27 0.00 -1.28 -0.32 4.27 -1.26 -4.50 117.44 120.61 2ohm n TRP 197 Ca 0.47 0.00 -0.30 0.00 -3.89 0.00 0.00 57.50 53.78 2ohm n TRP 197 Cb 0.41 0.00 0.21 0.00 -1.36 0.00 0.00 31.31 30.57 2ohm n TRP 197 CO 0.00 0.00 0.00 0.71 -2.29 0.00 0.00 177.69 176.11 2ohm s TYR 198 N 0.08 1.14 -1.23 -2.67 2.02 -1.26 0.20 117.35 115.63 2ohm s TYR 198 Ca 0.00 0.58 -0.16 0.00 -0.37 0.00 0.00 57.07 57.13 2ohm s TYR 198 Cb 0.00 -3.52 0.13 0.00 -0.40 0.00 0.00 41.96 38.17 2ohm s TYR 198 CO 0.00 -3.37 1.53 0.71 -1.57 0.00 0.00 175.55 172.85 2ohm s TYR 199 N -3.17 3.21 0.13 2.71 2.02 -1.26 -4.80 117.35 116.20 2ohm s TYR 199 Ca 0.70 -1.90 -0.21 0.00 -0.37 0.00 0.00 57.07 55.29 2ohm s TYR 199 Cb -0.11 -4.48 -0.07 0.00 -0.40 0.00 0.00 41.96 36.90 2ohm s TYR 199 CO 0.55 -1.56 0.65 -2.00 -1.57 0.00 0.00 175.55 171.63 2ohm s GLU 200 N 2.62 4.29 0.18 -0.62 2.12 -1.26 -2.18 118.70 123.85 2ohm s GLU 200 Ca 0.46 0.85 -0.05 0.00 0.36 0.00 0.00 54.97 56.59 2ohm s GLU 200 Cb -0.00 -3.15 -0.02 0.00 0.26 0.00 0.00 34.13 31.21 2ohm s GLU 200 CO 0.02 0.56 0.22 0.14 -0.54 0.00 0.00 175.26 175.67 2ohm s VAL 201 N -1.23 0.04 -0.24 3.70 -7.23 -0.85 -0.42 120.40 114.17 2ohm s VAL 201 Ca 0.34 -1.70 0.02 0.00 -1.81 0.00 0.00 61.98 58.82 2ohm s VAL 201 Cb -0.20 -2.17 0.05 0.00 0.56 0.00 0.00 36.38 34.62 2ohm s VAL 201 CO 0.21 -0.18 -0.12 -0.63 -0.31 0.00 0.00 175.10 174.08 2ohm s ILE 202 N -4.06 2.28 0.09 -0.62 1.01 -1.26 -4.06 121.20 114.58 2ohm s ILE 202 Ca 0.27 -1.39 -0.31 0.00 0.00 0.00 0.00 60.65 59.22 2ohm s ILE 202 Cb 0.05 -2.23 -0.06 0.00 0.01 0.00 0.00 42.46 40.22 2ohm s ILE 202 CO 0.06 0.12 1.22 -0.63 0.00 0.00 0.00 174.94 175.71 2ohm s ILE 203 N 1.18 3.88 -0.81 2.92 1.01 -1.26 -1.63 121.20 126.49 2ohm s ILE 203 Ca -0.04 1.39 0.10 0.00 0.00 0.00 0.00 60.65 62.09 2ohm s ILE 203 Cb -0.18 -3.89 -0.02 0.00 0.01 0.00 0.00 42.46 38.38 2ohm s ILE 203 CO -0.07 0.13 0.58 1.33 0.00 0.00 0.00 174.94 176.92 2ohm n VAL 204 N 3.66 0.00 -3.64 2.92 0.24 0.33 -4.66 118.33 117.18 2ohm n VAL 204 Ca 0.08 -0.38 -0.05 0.00 -2.04 0.00 0.00 64.34 61.95 2ohm n VAL 204 Cb 0.46 1.10 -0.06 0.00 -1.47 0.00 0.00 33.84 33.86 2ohm n VAL 204 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 2ohm s ARG 205 N -1.41 0.25 -0.06 7.34 3.52 -1.18 -4.82 118.95 122.60 2ohm s ARG 205 Ca 0.07 0.22 0.01 0.00 -0.13 0.00 0.00 55.73 55.89 2ohm s ARG 205 Cb 0.08 0.12 0.02 0.00 -1.56 0.00 0.00 34.95 33.61 2ohm s ARG 205 CO 0.26 -0.05 -0.05 0.08 -0.81 0.00 0.00 175.30 174.74 2ohm s VAL 206 N -0.23 0.60 0.21 7.11 1.01 -1.26 0.75 120.40 128.59 2ohm s VAL 206 Ca 0.05 -0.13 0.10 0.00 0.00 0.00 0.00 61.98 62.01 2ohm s VAL 206 Cb -0.04 -0.63 -0.05 0.00 0.00 0.00 0.00 36.38 35.66 2ohm s VAL 206 CO -0.10 0.25 -0.20 -1.61 0.00 0.00 0.00 175.10 173.45 2ohm s GLU 207 N 1.12 1.46 -0.22 2.72 2.02 -0.07 -1.56 118.70 124.17 2ohm s GLU 207 Ca -0.08 -1.57 0.00 0.00 0.02 0.00 0.00 54.97 53.34 2ohm s GLU 207 Cb -0.14 -1.56 0.06 0.00 0.10 0.00 0.00 34.13 32.59 2ohm s GLU 207 CO -0.01 0.31 -0.04 0.42 0.02 0.00 0.00 175.26 175.96 2ohm s ILE 208 N -2.23 1.34 0.00 -1.63 1.01 -0.56 -1.45 121.20 117.68 2ohm s ILE 208 Ca 0.22 -1.08 0.00 0.00 0.00 0.00 0.00 60.65 59.79 2ohm s ILE 208 Cb -0.05 -1.64 0.00 0.00 0.01 0.00 0.00 42.46 40.78 2ohm s ILE 208 CO 0.10 -0.10 0.00 -3.20 0.00 0.00 0.00 174.94 171.73 2ohm n ASN 209 N 4.74 0.00 0.00 3.58 4.05 0.54 -2.50 115.26 125.68 2ohm n ASN 209 Ca -0.12 0.00 0.00 0.00 0.45 0.00 0.00 54.58 54.91 2ohm n ASN 209 Cb 0.45 -0.90 0.00 0.00 1.23 0.00 0.00 39.78 40.56 2ohm n ASN 209 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2ohm n GLY 210 N -2.00 3.79 3.69 8.20 0.00 -1.26 -4.91 105.19 112.70 2ohm n GLY 210 Ca 0.00 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 44.85 2ohm n GLY 210 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ohm s GLN 211 N 0.00 4.41 1.00 1.61 -0.21 -1.04 -4.88 119.66 120.56 2ohm s GLN 211 Ca 0.00 1.39 -0.17 0.00 0.02 0.00 0.00 55.36 56.61 2ohm s GLN 211 Cb 0.00 -3.55 0.22 0.00 1.00 0.00 0.00 33.01 30.68 2ohm s GLN 211 CO 0.00 -0.33 1.31 0.16 -2.12 0.00 0.00 175.29 174.30 2ohm s ASP 212 N 1.11 2.73 0.00 5.90 -4.77 -1.26 -1.50 116.67 118.88 2ohm s ASP 212 Ca 0.48 0.27 0.23 0.00 -3.30 0.00 0.00 52.55 50.24 2ohm s ASP 212 Cb -0.18 -0.31 0.13 0.00 -1.09 0.00 0.00 42.92 41.47 2ohm s ASP 212 CO 0.17 -2.97 1.21 0.18 0.70 0.00 0.00 175.17 174.46 2ohm n LEU 213 N -3.93 2.72 -2.70 2.11 4.32 -0.60 -4.81 117.00 114.11 2ohm n LEU 213 Ca 0.15 -0.93 -0.08 0.00 -0.02 0.00 0.00 56.01 55.13 2ohm n LEU 213 Cb 0.59 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 42.39 2ohm n LEU 213 CO 0.45 0.46 -0.06 0.29 -1.22 0.00 0.00 177.39 177.32 2ohm n LYS 214 N 0.96 -2.67 -4.55 3.23 5.02 -1.26 -4.85 118.16 114.04 2ohm n LYS 214 Ca 0.13 0.22 -0.34 0.00 -2.02 0.00 0.00 58.31 56.29 2ohm n LYS 214 Cb 0.56 -4.77 -0.11 0.00 -0.02 0.00 0.00 35.03 30.69 2ohm n LYS 214 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 2ohm s MET 215 N -5.25 2.92 -0.60 1.97 1.75 -1.26 -4.98 119.30 113.85 2ohm s MET 215 Ca 0.09 -0.52 -0.34 0.00 -1.25 0.00 0.00 55.69 53.68 2ohm s MET 215 Cb -0.05 -2.67 -0.15 0.00 2.84 0.00 0.00 34.83 34.79 2ohm s MET 215 CO 0.11 0.62 2.38 -3.47 -0.65 0.00 0.00 175.02 174.01 2ohm n ASP 216 N 2.38 1.37 0.21 1.11 2.03 -1.26 -4.65 116.55 117.73 2ohm n ASP 216 Ca -0.18 0.22 0.05 0.00 0.52 0.00 0.00 54.79 55.40 2ohm n ASP 216 Cb 0.53 -1.15 0.27 0.00 -0.72 0.00 0.00 41.12 40.04 2ohm n ASP 216 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2ohm h LYS 218 N 0.00 0.49 0.00 0.00 3.64 -1.79 -2.04 116.57 116.87 2ohm h LYS 218 Ca 0.00 -0.13 -0.05 0.00 -1.27 0.00 0.00 60.65 59.21 2ohm h LYS 218 Cb 1.06 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.81 2ohm h LYS 218 CO 0.00 0.58 -0.23 0.93 -2.27 0.00 0.00 179.45 178.46 2ohm h GLU 219 N 0.46 0.00 0.00 1.90 4.39 -0.75 -2.33 114.58 118.25 2ohm h GLU 219 Ca 0.09 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.75 2ohm h GLU 219 Cb 0.43 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.07 2ohm h GLU 219 CO 0.02 0.23 -0.20 1.88 -1.16 0.00 0.00 179.01 179.78 2ohm h TYR 220 N 0.00 0.00 -0.70 4.33 0.99 -1.51 -3.17 116.97 116.90 2ohm h TYR 220 Ca -0.00 0.00 -0.51 0.00 2.00 0.00 0.00 58.73 60.22 2ohm h TYR 220 Cb 0.46 0.00 -0.37 0.00 1.00 0.00 0.00 36.73 37.82 2ohm h TYR 220 CO 0.00 0.20 -0.58 0.09 -0.00 0.00 0.00 178.16 177.87 2ohm n ASN 221 N -4.21 4.89 -4.31 3.88 3.02 -0.90 -4.48 115.26 113.15 2ohm n ASN 221 Ca -0.02 -3.77 -0.39 0.00 -0.03 0.00 0.00 54.58 50.37 2ohm n ASN 221 Cb 0.26 -0.44 -0.11 0.00 -0.61 0.00 0.00 39.78 38.88 2ohm n ASN 221 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2ohm s TYR 222 N -3.58 3.27 -2.27 3.10 5.04 -1.10 -2.07 117.35 119.73 2ohm s TYR 222 Ca 0.51 -1.27 0.23 0.00 -2.44 0.00 0.00 57.07 54.11 2ohm s TYR 222 Cb 0.42 -2.45 0.53 0.00 0.35 0.00 0.00 41.96 40.81 2ohm s TYR 222 CO 0.02 -0.72 1.47 -0.40 -1.34 0.00 0.00 175.55 174.59 2ohm n ASP 223 N 4.90 3.71 -3.58 4.32 3.85 -1.26 -4.49 116.55 124.00 2ohm n ASP 223 Ca -0.12 -2.00 -0.17 0.00 -0.71 0.00 0.00 54.79 51.80 2ohm n ASP 223 Cb 0.45 -0.36 -0.07 0.00 -1.35 0.00 0.00 41.12 39.79 2ohm n ASP 223 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 2ohm s LYS 224 N -1.27 0.97 -0.09 0.11 1.02 -0.88 -4.75 119.74 114.85 2ohm s LYS 224 Ca 0.44 0.14 0.03 0.00 0.02 0.00 0.00 55.97 56.59 2ohm s LYS 224 Cb 0.24 0.45 0.01 0.00 -0.52 0.00 0.00 37.83 38.02 2ohm s LYS 224 CO 0.33 -0.30 -0.17 -1.12 -0.92 0.00 0.00 175.35 173.17 2ohm s SER 225 N -1.26 2.45 0.29 2.83 0.01 -1.26 0.42 113.70 117.18 2ohm s SER 225 Ca -0.11 -0.43 0.04 0.00 1.31 0.00 0.00 55.95 56.75 2ohm s SER 225 Cb -0.01 -1.12 -0.06 0.00 0.21 0.00 0.00 66.02 65.04 2ohm s SER 225 CO 0.08 0.06 0.02 0.27 0.41 0.00 0.00 173.24 174.08 2ohm s ILE 226 N 0.70 1.24 -0.21 1.44 -4.36 -0.58 -2.01 121.20 117.42 2ohm s ILE 226 Ca -0.13 -2.04 -0.03 0.00 -0.26 0.00 0.00 60.65 58.20 2ohm s ILE 226 Cb -0.16 -2.59 -0.01 0.00 1.25 0.00 0.00 42.46 40.96 2ohm s ILE 226 CO 0.03 -0.16 -0.07 -0.69 0.24 0.00 0.00 174.94 174.29 2ohm s VAL 227 N -3.28 3.20 -0.34 8.37 1.01 -0.93 -0.83 120.40 127.60 2ohm s VAL 227 Ca 0.33 -0.56 -0.00 0.00 0.00 0.00 0.00 61.98 61.75 2ohm s VAL 227 Cb 0.07 -2.43 0.14 0.00 0.00 0.00 0.00 36.38 34.15 2ohm s VAL 227 CO 0.13 0.45 0.24 -0.62 0.00 0.00 0.00 175.10 175.30 2ohm s ASP 228 N 1.32 2.57 0.56 3.32 2.15 -0.62 -4.37 116.67 121.61 2ohm s ASP 228 Ca 0.04 -1.80 0.38 0.00 0.43 0.00 0.00 52.55 51.59 2ohm s ASP 228 Cb -0.14 -0.11 2.06 0.00 -0.30 0.00 0.00 42.92 44.42 2ohm s ASP 228 CO -0.03 -0.33 2.16 0.77 -0.17 0.00 0.00 175.17 177.57 2ohm h SER 229 N 7.34 0.00 0.92 -0.34 4.64 -1.85 -2.24 113.55 122.02 2ohm h SER 229 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2ohm h SER 229 Cb 1.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 2ohm h SER 229 CO 0.28 0.00 0.00 1.23 -0.87 0.00 0.00 176.83 177.47 2ohm h GLY 230 N 0.02 0.00 -4.93 -0.77 0.00 -1.91 -3.45 103.07 92.04 2ohm h GLY 230 Ca 0.00 0.00 -0.69 0.00 0.00 0.00 0.00 47.33 46.64 2ohm h GLY 230 CO 0.00 0.00 -0.75 -1.59 0.00 0.00 0.00 176.54 174.20 2ohm s THR 231 N -3.30 3.19 -0.04 4.70 2.01 -0.84 -4.95 115.64 116.41 2ohm s THR 231 Ca 0.05 -0.70 -0.22 0.00 0.31 0.00 0.00 61.69 61.14 2ohm s THR 231 Cb 0.10 -2.27 -0.27 0.00 0.01 0.00 0.00 72.50 70.06 2ohm s THR 231 CO 0.45 0.58 0.96 0.74 -0.69 0.00 0.00 174.62 176.66 2ohm h THR 232 N 4.29 1.52 -4.30 -0.82 2.02 -1.86 0.44 112.91 114.19 2ohm h THR 232 Ca -0.47 -2.30 -0.50 0.00 0.77 0.00 0.00 66.41 63.90 2ohm h THR 232 Cb 1.16 2.98 0.07 0.00 -1.74 0.00 0.00 68.15 70.62 2ohm h THR 232 CO 0.51 0.65 0.39 0.20 0.37 0.00 0.00 175.52 177.63 2ohm s ASN 233 N -6.75 5.84 -0.37 4.18 0.02 -1.26 -1.47 114.94 115.12 2ohm s ASN 233 Ca -0.14 1.59 -0.26 0.00 -1.02 0.00 0.00 52.86 53.02 2ohm s ASN 233 Cb 0.01 -2.50 0.02 0.00 0.02 0.00 0.00 41.25 38.80 2ohm s ASN 233 CO 0.80 -1.13 0.96 -0.22 0.02 0.00 0.00 177.10 177.53 2ohm s LEU 234 N -5.10 3.97 -0.23 0.60 0.20 -0.49 -2.40 118.68 115.23 2ohm s LEU 234 Ca 0.58 0.61 -0.05 0.00 0.69 0.00 0.00 54.13 55.96 2ohm s LEU 234 Cb -0.13 -3.31 -0.02 0.00 -0.43 0.00 0.00 46.19 42.31 2ohm s LEU 234 CO 0.49 -0.89 0.00 -0.13 -0.29 0.00 0.00 176.35 175.53 2ohm s ARG 235 N 3.57 3.50 0.10 1.98 0.52 -0.73 -1.71 118.95 126.17 2ohm s ARG 235 Ca 0.39 -0.56 0.05 0.00 -0.52 0.00 0.00 55.73 55.09 2ohm s ARG 235 Cb -0.12 -3.13 -0.04 0.00 0.52 0.00 0.00 34.95 32.18 2ohm s ARG 235 CO 0.19 -0.18 0.03 -0.51 0.02 0.00 0.00 175.30 174.85 2ohm s LEU 236 N 1.50 3.55 1.27 2.53 1.43 -0.34 -0.08 118.68 128.55 2ohm s LEU 236 Ca 0.06 -0.16 -0.19 0.00 -1.03 0.00 0.00 54.13 52.81 2ohm s LEU 236 Cb -0.15 -2.25 0.31 0.00 0.03 0.00 0.00 46.19 44.13 2ohm s LEU 236 CO -0.00 0.16 1.03 -2.84 0.23 0.00 0.00 176.35 174.92 2ohm s PRO 237 N -2.45 -1.76 0.04 1.29 0.02 -1.25 -1.19 135.00 129.70 2ohm s PRO 237 Ca 0.27 0.17 -0.12 0.00 0.02 0.00 0.00 61.00 61.34 2ohm s PRO 237 Cb -0.11 -1.51 -0.05 0.00 0.02 0.00 0.00 34.50 32.85 2ohm s PRO 237 CO 0.20 -4.12 1.20 0.87 -0.33 0.00 0.00 177.00 174.82 2ohm h LYS 238 N -2.88 -0.20 -0.17 5.54 1.57 -1.87 0.56 116.57 119.12 2ohm h LYS 238 Ca -0.47 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.30 2ohm h LYS 238 Cb 1.32 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.67 2ohm h LYS 238 CO 0.36 -0.13 0.04 0.87 -0.57 0.00 0.00 179.45 180.01 2ohm h LYS 239 N -0.21 0.27 -0.75 3.15 1.57 -1.93 -1.86 116.57 116.80 2ohm h LYS 239 Ca 0.01 -0.07 0.11 0.00 -1.87 0.00 0.00 60.65 58.83 2ohm h LYS 239 Cb 0.24 -0.03 -0.08 0.00 0.08 0.00 0.00 32.23 32.44 2ohm h LYS 239 CO -0.16 0.42 0.37 0.28 -0.57 0.00 0.00 179.45 179.79 2ohm h VAL 240 N 0.07 0.81 0.07 0.50 2.07 -1.83 0.20 116.25 118.15 2ohm h VAL 240 Ca 0.05 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.36 2ohm h VAL 240 Cb 0.27 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 30.20 2ohm h VAL 240 CO 0.00 0.11 -0.04 0.15 0.02 0.00 0.00 177.57 177.81 2ohm h PHE 241 N 0.61 -0.10 -0.49 1.57 3.57 -0.63 0.22 116.94 121.69 2ohm h PHE 241 Ca 0.38 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.94 2ohm h PHE 241 Cb 0.44 0.04 -0.09 0.00 2.79 0.00 0.00 35.95 39.13 2ohm h PHE 241 CO -0.11 -0.06 -0.53 1.49 -2.23 0.00 0.00 178.31 176.87 2ohm h GLU 242 N -0.11 -0.32 -0.32 1.11 4.81 -0.37 0.91 114.58 120.29 2ohm h GLU 242 Ca -0.01 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 2ohm h GLU 242 Cb 0.09 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 2ohm h GLU 242 CO 0.01 -0.21 0.12 0.00 -0.73 0.00 0.00 179.01 178.19 2ohm h ALA 243 N 0.16 0.41 -0.19 2.92 0.00 -0.26 -0.79 119.26 121.51 2ohm h ALA 243 Ca 0.10 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.90 2ohm h ALA 243 Cb 0.58 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2ohm h ALA 243 CO -0.64 0.03 0.06 0.00 0.00 0.00 0.00 179.25 178.70 2ohm h ALA 244 N 0.96 0.21 0.41 0.00 0.00 -0.46 -1.75 119.26 118.63 2ohm h ALA 244 Ca 0.10 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2ohm h ALA 244 Cb 0.21 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 2ohm h ALA 244 CO -0.01 -0.37 -0.45 0.28 0.00 0.00 0.00 179.25 178.71 2ohm h VAL 245 N 0.15 0.11 -0.73 0.00 2.07 -0.36 0.75 116.25 118.24 2ohm h VAL 245 Ca 0.08 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.76 2ohm h VAL 245 Cb 0.06 0.11 -0.14 0.00 -1.52 0.00 0.00 31.29 29.80 2ohm h VAL 245 CO -0.09 0.00 -0.11 0.50 0.02 0.00 0.00 177.57 177.88 2ohm h LYS 246 N -0.88 0.03 -0.30 1.57 3.64 -1.09 2.09 116.57 121.62 2ohm h LYS 246 Ca -0.04 -0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.19 2ohm h LYS 246 Cb 0.79 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.59 2ohm h LYS 246 CO -0.09 0.02 -0.41 1.03 -2.27 0.00 0.00 179.45 177.74 2ohm h SER 247 N 0.03 0.79 -0.64 4.20 0.87 -0.76 0.41 113.55 118.45 2ohm h SER 247 Ca 0.37 -0.36 -0.09 0.00 -1.23 0.00 0.00 61.79 60.48 2ohm h SER 247 Cb 0.60 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.32 2ohm h SER 247 CO -0.72 1.10 0.06 0.40 -0.53 0.00 0.00 176.83 177.14 2ohm h ILE 248 N 0.60 1.26 0.13 2.23 2.04 0.17 0.20 117.51 124.14 2ohm h ILE 248 Ca 0.05 -1.10 -0.01 0.00 1.00 0.00 0.00 64.86 64.80 2ohm h ILE 248 Cb 0.96 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 37.75 2ohm h ILE 248 CO 0.09 0.41 -0.06 0.50 0.00 0.00 0.00 178.15 179.08 2ohm h LYS 249 N 1.01 -0.16 0.00 2.37 3.64 0.37 -0.95 116.57 122.85 2ohm h LYS 249 Ca 0.19 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 2ohm h LYS 249 Cb 0.50 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 2ohm h LYS 249 CO 0.02 -0.10 0.00 0.00 -2.27 0.00 0.00 179.45 177.10 2ohm n ALA 250 N -2.17 -0.49 -0.16 5.00 0.00 0.14 -2.56 120.51 120.27 2ohm n ALA 250 Ca -0.08 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.42 2ohm n ALA 250 Cb 0.10 0.01 0.13 0.00 0.00 0.00 0.00 19.45 19.68 2ohm n ALA 250 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ohm n ALA 251 N -2.01 0.22 1.52 0.00 0.00 0.05 0.16 120.51 120.45 2ohm n ALA 251 Ca 0.00 0.50 0.12 0.00 0.00 0.00 0.00 53.44 54.06 2ohm n ALA 251 Cb 0.00 -0.36 0.52 0.00 0.00 0.00 0.00 19.45 19.61 2ohm n ALA 251 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2ohm n SER 252 N -4.55 1.16 0.00 0.00 3.41 -0.36 -4.59 113.62 108.69 2ohm n SER 252 Ca 0.10 -1.52 0.02 0.00 -0.26 0.00 0.00 58.87 57.21 2ohm n SER 252 Cb 0.34 -0.04 0.09 0.00 -0.26 0.00 0.00 64.21 64.34 2ohm n SER 252 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2ohm n SER 253 N -0.05 0.00 -0.33 4.04 7.64 0.12 -2.85 113.62 122.18 2ohm n SER 253 Ca 0.18 -0.11 0.21 0.00 1.01 0.00 0.00 58.87 60.16 2ohm n SER 253 Cb 0.27 0.00 0.44 0.00 -1.01 0.00 0.00 64.21 63.91 2ohm n SER 253 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 2ohm h THR 254 N 0.00 0.37 -1.76 0.44 2.02 -1.84 -3.41 112.91 108.73 2ohm h THR 254 Ca 0.00 -0.13 -0.60 0.00 0.77 0.00 0.00 66.41 66.44 2ohm h THR 254 Cb 0.00 -0.05 -0.13 0.00 -1.74 0.00 0.00 68.15 66.22 2ohm h THR 254 CO 0.00 0.07 -0.59 -1.61 0.37 0.00 0.00 175.52 173.76 2ohm s GLU 255 N -5.72 1.93 0.10 6.66 2.02 -1.13 -5.17 118.70 117.39 2ohm s GLU 255 Ca -0.10 -2.11 0.08 0.00 0.02 0.00 0.00 54.97 52.86 2ohm s GLU 255 Cb 0.29 -1.44 -0.03 0.00 0.10 0.00 0.00 34.13 33.04 2ohm s GLU 255 CO 0.79 -0.13 -0.21 0.21 0.02 0.00 0.00 175.26 175.94 2ohm s LYS 256 N -3.77 1.15 0.17 1.61 2.20 -1.26 -4.98 119.74 114.86 2ohm s LYS 256 Ca 0.31 -1.15 -0.02 0.00 -0.36 0.00 0.00 55.97 54.75 2ohm s LYS 256 Cb 0.08 -1.40 -0.04 0.00 -1.51 0.00 0.00 37.83 34.96 2ohm s LYS 256 CO 0.15 0.33 0.14 -0.06 -0.36 0.00 0.00 175.35 175.55 2ohm s PHE 257 N -1.13 0.95 0.68 4.03 0.40 -1.26 -5.16 117.98 116.49 2ohm s PHE 257 Ca 0.07 -1.24 -0.15 0.00 -0.60 0.00 0.00 56.93 55.00 2ohm s PHE 257 Cb -0.10 -0.45 0.01 0.00 0.51 0.00 0.00 43.02 42.99 2ohm s PHE 257 CO 0.04 -0.62 1.14 -2.14 0.70 0.00 0.00 175.22 174.34 2ohm s PRO 258 N -4.10 2.60 0.34 0.24 0.02 -1.26 -4.94 135.00 127.91 2ohm s PRO 258 Ca 0.31 1.53 0.02 0.00 0.02 0.00 0.00 61.00 62.88 2ohm s PRO 258 Cb 0.06 -1.91 0.60 0.00 0.02 0.00 0.00 34.50 33.27 2ohm s PRO 258 CO 0.07 -1.43 1.95 -0.44 -0.33 0.00 0.00 177.00 176.82 2ohm h ASP 259 N -0.02 0.66 -0.87 2.53 3.32 -2.02 -2.98 116.42 117.04 2ohm h ASP 259 Ca -0.47 -0.06 0.04 0.00 0.02 0.00 0.00 57.03 56.55 2ohm h ASP 259 Cb 1.26 -0.17 -0.05 0.00 0.22 0.00 0.00 39.33 40.59 2ohm h ASP 259 CO 0.53 0.56 0.56 1.23 -1.72 0.00 0.00 179.24 180.40 2ohm h GLY 260 N 0.84 1.27 0.66 2.75 0.00 -1.95 -2.90 103.07 103.73 2ohm h GLY 260 Ca 0.18 -0.42 0.04 0.00 0.00 0.00 0.00 47.33 47.13 2ohm h GLY 260 CO -0.02 0.36 0.12 -2.75 0.00 0.00 0.00 176.54 174.25 2ohm h PHE 261 N 1.08 0.22 -0.93 5.60 3.57 -1.75 0.11 116.94 124.85 2ohm h PHE 261 Ca 0.35 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.95 2ohm h PHE 261 Cb 0.02 -0.04 -0.07 0.00 2.79 0.00 0.00 35.95 38.65 2ohm h PHE 261 CO -0.02 0.09 0.60 -1.49 -2.23 0.00 0.00 178.31 175.26 2ohm h TRP 262 N 0.28 1.06 -0.07 0.41 4.06 -1.65 -1.92 115.95 118.11 2ohm h TRP 262 Ca 0.17 0.03 0.00 0.00 2.06 0.00 0.00 58.89 61.15 2ohm h TRP 262 Cb 0.15 -0.34 0.00 0.00 -1.00 0.00 0.00 29.16 27.97 2ohm h TRP 262 CO -0.15 0.52 0.00 1.28 -3.56 0.00 0.00 178.44 176.53 2ohm n LEU 263 N -4.52 0.56 -3.38 -4.49 7.99 -0.55 -4.87 117.00 107.75 2ohm n LEU 263 Ca 0.15 -0.24 -0.22 0.00 -0.01 0.00 0.00 56.01 55.69 2ohm n LEU 263 Cb 0.25 -0.04 0.07 0.00 -0.11 0.00 0.00 43.42 43.59 2ohm n LEU 263 CO 0.32 0.12 0.23 0.61 -1.51 0.00 0.00 177.39 177.16 2ohm n GLY 264 N 0.86 -0.44 0.00 -0.72 0.00 -0.66 -4.89 105.19 99.34 2ohm n GLY 264 Ca 0.13 0.19 0.07 0.00 0.00 0.00 0.00 46.02 46.40 2ohm n GLY 264 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ohm n GLU 265 N -4.68 1.90 -4.11 1.61 1.02 0.28 -5.02 120.64 111.63 2ohm n GLU 265 Ca 0.00 -0.03 -0.10 0.00 -0.02 0.00 0.00 57.16 57.01 2ohm n GLU 265 Cb 0.56 -1.20 -0.09 0.00 -0.02 0.00 0.00 31.44 30.68 2ohm n GLU 265 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 2ohm s GLN 266 N -2.49 1.03 0.34 3.49 0.74 -1.19 -4.87 119.66 116.71 2ohm s GLN 266 Ca 0.02 -1.41 0.07 0.00 0.05 0.00 0.00 55.36 54.10 2ohm s GLN 266 Cb 0.10 0.28 -0.02 0.00 1.10 0.00 0.00 33.01 34.47 2ohm s GLN 266 CO 0.57 -0.32 0.31 -0.51 -0.55 0.00 0.00 175.29 174.79 2ohm s LEU 267 N -3.05 3.62 0.03 3.68 1.02 -1.26 -4.50 118.68 118.23 2ohm s LEU 267 Ca 0.25 -0.48 0.04 0.00 0.02 0.00 0.00 54.13 53.95 2ohm s LEU 267 Cb 0.06 -2.25 -0.02 0.00 0.02 0.00 0.00 46.19 44.00 2ohm s LEU 267 CO 0.03 -0.38 -0.11 0.54 0.02 0.00 0.00 176.35 176.46 2ohm s VAL 268 N -2.30 0.83 0.04 -1.59 0.11 -1.10 -4.92 120.40 111.48 2ohm s VAL 268 Ca 0.42 -0.85 0.01 0.00 -2.93 0.00 0.00 61.98 58.62 2ohm s VAL 268 Cb -0.06 -0.78 -0.03 0.00 -1.53 0.00 0.00 36.38 33.98 2ohm s VAL 268 CO 0.27 -0.06 -0.06 0.00 -3.33 0.00 0.00 175.10 171.93 2ohm s TRP 270 N -1.96 1.75 0.43 0.00 0.51 0.15 -4.98 118.94 114.84 2ohm s TRP 270 Ca -0.07 -1.49 -0.00 0.00 -2.12 0.00 0.00 56.10 52.41 2ohm s TRP 270 Cb -0.06 -0.92 -0.02 0.00 -0.81 0.00 0.00 33.47 31.66 2ohm s TRP 270 CO -0.02 -0.60 0.65 -0.65 -0.51 0.00 0.00 176.95 175.82 2ohm s GLN 271 N -3.58 3.24 -0.01 4.98 -0.21 -1.26 -0.28 119.66 122.54 2ohm s GLN 271 Ca 0.32 -0.36 -0.35 0.00 0.02 0.00 0.00 55.36 54.99 2ohm s GLN 271 Cb 0.02 -2.56 -0.14 0.00 1.00 0.00 0.00 33.01 31.33 2ohm s GLN 271 CO 0.21 -0.15 1.67 0.00 -2.12 0.00 0.00 175.29 174.91 2ohm n ALA 272 N -2.02 0.58 -1.21 6.09 0.00 -1.26 -1.21 120.51 121.48 2ohm n ALA 272 Ca -0.01 0.39 -0.01 0.00 0.00 0.00 0.00 53.44 53.81 2ohm n ALA 272 Cb 0.57 -2.34 -0.01 0.00 0.00 0.00 0.00 19.45 17.67 2ohm n ALA 272 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ohm n GLY 273 N 3.75 0.46 1.77 0.00 0.00 -1.26 -4.97 105.19 104.94 2ohm n GLY 273 Ca 0.21 -0.99 0.03 0.00 0.00 0.00 0.00 46.02 45.27 2ohm n GLY 273 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2ohm n THR 274 N -3.14 0.40 -3.55 2.61 -2.24 -0.35 -5.06 114.28 102.95 2ohm n THR 274 Ca -0.02 -1.55 -0.37 0.00 -2.27 0.00 0.00 64.05 59.84 2ohm n THR 274 Cb 0.13 0.99 -0.07 0.00 -2.10 0.00 0.00 70.33 69.28 2ohm n THR 274 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2ohm s THR 275 N -1.03 5.28 -1.08 4.28 2.01 -1.26 -4.46 115.64 119.38 2ohm s THR 275 Ca 0.33 0.58 -0.18 0.00 0.31 0.00 0.00 61.69 62.73 2ohm s THR 275 Cb 0.37 -3.63 0.12 0.00 0.01 0.00 0.00 72.50 69.37 2ohm s THR 275 CO -0.13 0.44 1.37 -2.16 -0.69 0.00 0.00 174.62 173.44 2ohm s PRO 276 N 0.10 3.80 0.14 4.92 0.04 -1.26 -4.89 135.00 137.86 2ohm s PRO 276 Ca 0.18 -1.93 -0.25 0.00 0.04 0.00 0.00 61.00 59.04 2ohm s PRO 276 Cb -0.14 -5.13 -0.01 0.00 0.04 0.00 0.00 34.50 29.27 2ohm s PRO 276 CO 0.06 -1.92 1.61 -1.49 0.04 0.00 0.00 177.00 175.30 2ohm h TRP 277 N 8.32 -0.85 -0.28 0.56 -0.00 -1.97 -3.00 115.95 118.72 2ohm h TRP 277 Ca 0.25 0.04 -0.00 0.00 -0.00 0.00 0.00 58.89 59.18 2ohm h TRP 277 Cb 0.95 0.40 -0.01 0.00 -0.00 0.00 0.00 29.16 30.50 2ohm h TRP 277 CO 1.21 -0.39 0.16 -0.91 -0.00 0.00 0.00 178.44 178.51 2ohm h ASN 278 N -0.36 0.33 0.00 -3.49 2.35 -2.01 -0.68 115.58 111.72 2ohm h ASN 278 Ca 0.11 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 2ohm h ASN 278 Cb 0.53 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.82 2ohm h ASN 278 CO -0.37 0.25 0.00 -0.38 -1.65 0.00 0.00 177.43 175.28 2ohm n ILE 279 N -4.48 0.00 -4.98 2.81 2.08 -1.13 -4.61 119.36 109.05 2ohm n ILE 279 Ca 0.01 0.00 -0.30 0.00 0.56 0.00 0.00 62.75 63.02 2ohm n ILE 279 Cb 0.08 -0.63 -0.15 0.00 -0.75 0.00 0.00 39.64 38.20 2ohm n ILE 279 CO 0.00 0.00 0.00 -0.36 0.56 0.00 0.00 176.55 176.75 2ohm s PHE 280 N -2.00 2.28 0.71 1.39 0.40 -0.26 -4.31 117.98 116.18 2ohm s PHE 280 Ca 0.04 -0.42 -0.11 0.00 -0.60 0.00 0.00 56.93 55.85 2ohm s PHE 280 Cb 0.02 -1.39 0.02 0.00 0.51 0.00 0.00 43.02 42.17 2ohm s PHE 280 CO 0.03 0.08 1.06 -1.25 0.70 0.00 0.00 175.22 175.85 2ohm s PRO 281 N -1.08 2.84 0.48 0.24 0.04 -1.26 -4.87 135.00 131.39 2ohm s PRO 281 Ca 0.11 0.93 -0.11 0.00 0.04 0.00 0.00 61.00 61.97 2ohm s PRO 281 Cb -0.10 -1.98 -0.06 0.00 0.04 0.00 0.00 34.50 32.40 2ohm s PRO 281 CO 0.01 -1.16 0.86 0.14 0.04 0.00 0.00 177.00 176.89 2ohm s VAL 282 N -3.05 4.75 -0.09 -0.36 -7.23 -1.26 -4.17 120.40 108.99 2ohm s VAL 282 Ca 0.58 0.68 0.05 0.00 -1.81 0.00 0.00 61.98 61.48 2ohm s VAL 282 Cb -0.14 -3.78 -0.00 0.00 0.56 0.00 0.00 36.38 33.01 2ohm s VAL 282 CO 0.55 -0.73 -0.24 -0.63 -0.31 0.00 0.00 175.10 173.74 2ohm s ILE 283 N -2.64 2.09 -0.12 -0.62 1.01 -1.10 -0.34 121.20 119.49 2ohm s ILE 283 Ca 0.52 -1.02 0.03 0.00 0.00 0.00 0.00 60.65 60.18 2ohm s ILE 283 Cb -0.10 -1.78 0.00 0.00 0.01 0.00 0.00 42.46 40.59 2ohm s ILE 283 CO 0.38 0.56 -0.21 -0.44 0.00 0.00 0.00 174.94 175.23 2ohm s SER 284 N 0.16 3.26 -0.20 3.58 0.01 -0.53 -1.06 113.70 118.92 2ohm s SER 284 Ca -0.13 -0.53 -0.05 0.00 1.31 0.00 0.00 55.95 56.54 2ohm s SER 284 Cb -0.16 -1.46 -0.02 0.00 0.21 0.00 0.00 66.02 64.59 2ohm s SER 284 CO 0.07 0.13 -0.01 -0.76 0.41 0.00 0.00 173.24 173.09 2ohm s LEU 285 N 0.50 3.19 -0.06 2.44 1.43 -0.39 -0.89 118.68 124.91 2ohm s LEU 285 Ca -0.14 -0.24 -0.20 0.00 -1.03 0.00 0.00 54.13 52.52 2ohm s LEU 285 Cb -0.17 -1.81 -0.05 0.00 0.03 0.00 0.00 46.19 44.19 2ohm s LEU 285 CO 0.05 0.05 0.58 -0.31 0.23 0.00 0.00 176.35 176.95 2ohm s TYR 286 N 1.10 3.60 -0.03 0.29 1.51 0.23 -1.39 117.35 122.67 2ohm s TYR 286 Ca 0.02 1.11 0.04 0.00 -1.01 0.00 0.00 57.07 57.23 2ohm s TYR 286 Cb -0.14 -2.63 -0.03 0.00 -0.11 0.00 0.00 41.96 39.05 2ohm s TYR 286 CO 0.01 0.24 -0.12 -0.51 -1.11 0.00 0.00 175.55 174.06 2ohm s LEU 287 N 0.29 2.87 0.16 -1.29 1.43 -0.00 -0.51 118.68 121.63 2ohm s LEU 287 Ca 0.31 -0.19 -0.33 0.00 -1.03 0.00 0.00 54.13 52.89 2ohm s LEU 287 Cb -0.17 -1.63 -0.16 0.00 0.03 0.00 0.00 46.19 44.26 2ohm s LEU 287 CO 0.15 0.32 1.09 0.80 0.23 0.00 0.00 176.35 178.94 2ohm n MET 288 N 2.02 0.94 -1.73 1.70 0.00 -0.64 -2.90 117.12 116.50 2ohm n MET 288 Ca -0.17 0.34 -0.08 0.00 -0.00 0.00 0.00 57.70 57.79 2ohm n MET 288 Cb 0.52 -1.78 0.03 0.00 0.00 0.00 0.00 33.22 31.99 2ohm n MET 288 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2ohm n GLY 289 N 1.93 1.86 0.17 -5.12 0.00 0.52 -4.17 105.19 100.37 2ohm n GLY 289 Ca 0.16 -2.15 0.04 0.00 0.00 0.00 0.00 46.02 44.07 2ohm n GLY 289 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2ohm h GLU 290 N 0.00 0.00 -6.47 1.61 5.08 -1.74 -3.41 114.58 109.66 2ohm h GLU 290 Ca -0.11 0.00 -0.63 0.00 -1.00 0.00 0.00 59.36 57.62 2ohm h GLU 290 Cb 0.48 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.59 2ohm h GLU 290 CO 0.15 0.43 -0.72 0.08 -1.00 0.00 0.00 179.01 177.95 2ohm s VAL 291 N -3.36 3.29 0.26 3.13 1.01 -1.26 -5.02 120.40 118.44 2ohm s VAL 291 Ca 0.01 -1.53 -0.30 0.00 0.00 0.00 0.00 61.98 60.16 2ohm s VAL 291 Cb 0.10 -2.61 -0.14 0.00 0.00 0.00 0.00 36.38 33.73 2ohm s VAL 291 CO 0.71 -0.05 1.19 0.41 0.00 0.00 0.00 175.10 177.36 2ohm n THR 292 N 0.20 1.49 -1.41 3.92 -1.04 -1.26 -1.90 114.28 114.28 2ohm n THR 292 Ca -0.11 -0.37 -0.15 0.00 -2.04 0.00 0.00 64.05 61.37 2ohm n THR 292 Cb 0.55 -1.18 -0.06 0.00 -1.82 0.00 0.00 70.33 67.81 2ohm n THR 292 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2ohm n ASN 293 N 1.55 -4.64 -4.25 8.00 3.02 -1.26 -4.97 115.26 112.72 2ohm n ASN 293 Ca 0.10 0.37 -0.33 0.00 -0.03 0.00 0.00 54.58 54.69 2ohm n ASN 293 Cb 0.31 -3.97 -0.15 0.00 -0.61 0.00 0.00 39.78 35.35 2ohm n ASN 293 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 2ohm s GLN 294 N -3.22 3.19 0.31 3.52 -0.44 -0.80 -1.75 119.66 120.47 2ohm s GLN 294 Ca 0.00 -0.76 0.03 0.00 -2.50 0.00 0.00 55.36 52.13 2ohm s GLN 294 Cb 0.00 -2.63 -0.05 0.00 -1.64 0.00 0.00 33.01 28.70 2ohm s GLN 294 CO 0.00 -0.02 0.11 -1.54 0.50 0.00 0.00 175.29 174.34 2ohm s SER 295 N 0.90 1.82 0.02 6.67 1.04 -0.00 -0.36 113.70 123.79 2ohm s SER 295 Ca -0.04 -1.48 -0.13 0.00 0.48 0.00 0.00 55.95 54.78 2ohm s SER 295 Cb -0.15 0.23 0.02 0.00 0.10 0.00 0.00 66.02 66.22 2ohm s SER 295 CO -0.02 -0.78 0.28 0.72 0.98 0.00 0.00 173.24 174.42 2ohm s PHE 296 N -3.52 -0.10 0.02 5.02 -0.71 -1.14 -0.08 117.98 117.46 2ohm s PHE 296 Ca 0.35 0.05 0.08 0.00 -1.04 0.00 0.00 56.93 56.36 2ohm s PHE 296 Cb 0.06 0.07 -0.03 0.00 -1.21 0.00 0.00 43.02 41.91 2ohm s PHE 296 CO 0.15 -0.43 -0.22 -0.98 -1.34 0.00 0.00 175.22 172.40 2ohm s ARG 297 N -1.98 2.04 -0.11 1.99 1.70 -0.10 -0.82 118.95 121.67 2ohm s ARG 297 Ca -0.09 -0.98 -0.02 0.00 -0.47 0.00 0.00 55.73 54.17 2ohm s ARG 297 Cb -0.03 -2.12 -0.03 0.00 -0.57 0.00 0.00 34.95 32.20 2ohm s ARG 297 CO 0.00 0.54 -0.02 0.96 -1.08 0.00 0.00 175.30 175.70 2ohm s ILE 298 N -0.82 4.09 -0.15 4.99 -4.36 -0.49 -1.41 121.20 123.05 2ohm s ILE 298 Ca 0.13 -0.32 0.00 0.00 -0.26 0.00 0.00 60.65 60.20 2ohm s ILE 298 Cb -0.10 -2.74 0.02 0.00 1.25 0.00 0.00 42.46 40.89 2ohm s ILE 298 CO 0.03 0.56 -0.14 -0.89 0.24 0.00 0.00 174.94 174.73 2ohm s THR 299 N -0.41 1.58 0.40 8.37 2.01 -0.07 -1.26 115.64 126.26 2ohm s THR 299 Ca 0.07 -0.64 0.06 0.00 0.31 0.00 0.00 61.69 61.50 2ohm s THR 299 Cb -0.12 -1.48 0.00 0.00 0.01 0.00 0.00 72.50 70.92 2ohm s THR 299 CO 0.02 0.46 0.55 0.27 -0.69 0.00 0.00 174.62 175.24 2ohm s ILE 300 N 1.45 3.43 0.52 1.82 -4.36 -0.23 -2.19 121.20 121.64 2ohm s ILE 300 Ca 0.04 -0.94 0.07 0.00 -0.26 0.00 0.00 60.65 59.56 2ohm s ILE 300 Cb -0.13 -3.18 0.04 0.00 1.25 0.00 0.00 42.46 40.44 2ohm s ILE 300 CO -0.10 -0.08 0.50 -0.76 0.24 0.00 0.00 174.94 174.75 2ohm s LEU 301 N -4.33 2.97 0.39 0.37 1.43 -1.26 -2.71 118.68 115.54 2ohm s LEU 301 Ca 0.51 -1.02 0.27 0.00 -1.03 0.00 0.00 54.13 52.87 2ohm s LEU 301 Cb -0.10 -1.52 0.97 0.00 0.03 0.00 0.00 46.19 45.57 2ohm s LEU 301 CO 0.33 -1.06 1.80 -0.65 0.23 0.00 0.00 176.35 177.00 2ohm h PRO 302 N 0.66 0.00 0.00 1.29 0.11 -1.90 -2.62 132.00 129.53 2ohm h PRO 302 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 2ohm h PRO 302 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 2ohm h PRO 302 CO 0.53 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.32 2ohm n GLN 303 N -2.70 0.22 -0.03 1.05 0.00 -1.26 -0.38 117.38 114.29 2ohm n GLN 303 Ca 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 57.00 57.00 2ohm n GLN 303 Cb 0.35 -1.41 -0.05 0.00 0.00 0.00 0.00 30.24 29.12 2ohm n GLN 303 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 2ohm n GLN 304 N -0.91 2.53 0.00 2.61 3.00 -0.99 -4.71 117.38 118.90 2ohm n GLN 304 Ca 0.04 -0.01 0.06 0.00 -0.01 0.00 0.00 57.00 57.08 2ohm n GLN 304 Cb 0.02 -1.17 -0.05 0.00 0.00 0.00 0.00 30.24 29.04 2ohm n GLN 304 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.06 179.54 2ohm n TYR 305 N -2.18 0.00 -3.50 1.08 0.18 -0.95 -4.45 117.16 107.34 2ohm n TYR 305 Ca -0.10 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.26 2ohm n TYR 305 Cb 0.65 0.00 -0.08 0.00 -0.38 0.00 0.00 39.34 39.53 2ohm n TYR 305 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 2ohm s LEU 306 N -2.31 5.76 -0.13 -3.48 1.02 0.49 0.93 118.68 120.96 2ohm s LEU 306 Ca 0.07 -1.85 -0.03 0.00 0.02 0.00 0.00 54.13 52.33 2ohm s LEU 306 Cb 0.10 -2.05 -0.03 0.00 0.02 0.00 0.00 46.19 44.22 2ohm s LEU 306 CO 0.44 -0.72 -0.01 0.00 0.02 0.00 0.00 176.35 176.08 2ohm s ARG 307 N 1.42 3.42 0.36 1.70 1.70 -1.15 -4.60 118.95 121.80 2ohm s ARG 307 Ca 0.05 -0.45 -0.28 0.00 -0.47 0.00 0.00 55.73 54.58 2ohm s ARG 307 Cb -0.27 -2.90 -0.12 0.00 -0.57 0.00 0.00 34.95 31.09 2ohm s ARG 307 CO 0.00 0.44 1.41 -2.30 -1.08 0.00 0.00 175.30 173.77 2ohm n PRO 308 N 2.95 2.44 -2.69 3.89 -0.02 -1.26 -0.93 135.00 139.39 2ohm n PRO 308 Ca -0.18 0.86 -0.43 0.00 -2.02 0.00 0.00 63.50 61.73 2ohm n PRO 308 Cb 0.53 -2.53 -0.03 0.00 -0.02 0.00 0.00 33.50 31.45 2ohm n PRO 308 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2ohm s VAL 309 N -1.07 4.25 0.04 -1.45 1.01 -1.19 -4.79 120.40 117.20 2ohm s VAL 309 Ca 0.55 0.88 -0.08 0.00 0.00 0.00 0.00 61.98 63.33 2ohm s VAL 309 Cb -0.52 -4.58 -0.02 0.00 0.00 0.00 0.00 36.38 31.26 2ohm s VAL 309 CO 0.63 -1.07 1.13 -0.08 0.00 0.00 0.00 175.10 175.71 2ohm h GLU 310 N 9.29 -0.04 -4.41 2.72 4.81 -1.92 -3.36 114.58 121.67 2ohm h GLU 310 Ca -0.24 0.00 -0.60 0.00 -0.13 0.00 0.00 59.36 58.39 2ohm h GLU 310 Cb 1.06 0.01 -0.38 0.00 0.63 0.00 0.00 28.75 30.08 2ohm h GLU 310 CO 1.11 -0.03 -0.80 -0.51 -0.73 0.00 0.00 179.01 178.06 2ohm s ASP 311 N -3.47 3.51 -0.53 1.04 -0.00 -1.26 -4.94 116.67 111.01 2ohm s ASP 311 Ca -0.03 -0.98 -0.13 0.00 -0.00 0.00 0.00 52.55 51.41 2ohm s ASP 311 Cb 0.02 -1.15 0.13 0.00 -0.00 0.00 0.00 42.92 41.92 2ohm s ASP 311 CO 0.15 -0.19 0.45 0.68 -0.00 0.00 0.00 175.17 176.26 2ohm s VAL 312 N 1.44 4.78 0.47 -1.27 -7.23 -1.26 -5.01 120.40 112.32 2ohm s VAL 312 Ca -0.03 -1.72 0.29 0.00 -1.81 0.00 0.00 61.98 58.71 2ohm s VAL 312 Cb -0.17 -4.09 0.49 0.00 0.56 0.00 0.00 36.38 33.17 2ohm s VAL 312 CO -0.07 -0.84 1.74 0.00 -0.31 0.00 0.00 175.10 175.62 2ohm h ALA 313 N 8.59 2.74 -0.97 1.32 0.00 -1.98 -0.48 119.26 128.49 2ohm h ALA 313 Ca -0.23 0.03 -0.53 0.00 0.00 0.00 0.00 54.91 54.18 2ohm h ALA 313 Cb 1.08 0.09 -0.30 0.00 0.00 0.00 0.00 17.79 18.67 2ohm h ALA 313 CO 0.94 -1.18 0.65 0.25 0.00 0.00 0.00 179.25 179.90 2ohm n THR 314 N -4.44 3.24 -3.60 0.00 -2.24 -1.26 -4.93 114.28 101.04 2ohm n THR 314 Ca 0.29 -2.12 -0.02 0.00 -2.27 0.00 0.00 64.05 59.93 2ohm n THR 314 Cb 1.19 -0.57 -0.06 0.00 -2.10 0.00 0.00 70.33 68.79 2ohm n THR 314 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2ohm s SER 315 N -1.44 -0.61 -0.04 3.42 0.15 -0.19 -5.05 113.70 109.94 2ohm s SER 315 Ca 0.58 0.94 0.17 0.00 0.70 0.00 0.00 55.95 58.33 2ohm s SER 315 Cb 0.48 1.36 0.53 0.00 -1.71 0.00 0.00 66.02 66.68 2ohm s SER 315 CO 0.09 -0.14 1.44 1.67 1.20 0.00 0.00 173.24 177.50 2ohm n GLN 316 N 4.09 3.02 -0.91 5.44 -0.06 -1.26 -4.49 117.38 123.22 2ohm n GLN 316 Ca -0.17 -2.50 -0.07 0.00 -2.00 0.00 0.00 57.00 52.26 2ohm n GLN 316 Cb 0.56 -1.55 0.04 0.00 -4.06 0.00 0.00 30.24 25.24 2ohm n GLN 316 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 2ohm n ASP 317 N 0.93 0.23 -4.50 1.69 10.43 -1.26 -4.94 116.55 119.14 2ohm n ASP 317 Ca 0.20 -1.24 -0.43 0.00 2.57 0.00 0.00 54.79 55.88 2ohm n ASP 317 Cb 0.63 -0.23 -0.08 0.00 1.84 0.00 0.00 41.12 43.28 2ohm n ASP 317 CO 0.00 0.00 0.00 -1.81 -1.07 0.00 0.00 177.20 174.32 2ohm s ASP 318 N -2.25 6.22 0.37 -2.24 1.11 0.61 -4.93 116.67 115.57 2ohm s ASP 318 Ca 0.20 -0.56 0.08 0.00 0.18 0.00 0.00 52.55 52.45 2ohm s ASP 318 Cb -0.01 -2.24 -0.04 0.00 1.07 0.00 0.00 42.92 41.70 2ohm s ASP 318 CO 0.14 -0.59 0.18 0.00 1.18 0.00 0.00 175.17 176.07 2ohm s TYR 320 N -2.47 -0.24 0.20 0.00 1.51 -0.34 -3.16 117.35 112.85 2ohm s TYR 320 Ca 0.40 0.54 -0.14 0.00 -1.01 0.00 0.00 57.07 56.85 2ohm s TYR 320 Cb -0.01 0.09 -0.08 0.00 -0.11 0.00 0.00 41.96 41.85 2ohm s TYR 320 CO 0.23 -0.24 0.61 0.21 -1.11 0.00 0.00 175.55 175.25 2ohm s LYS 321 N -0.47 3.99 -0.58 -0.62 2.20 -0.10 -2.70 119.74 121.46 2ohm s LYS 321 Ca -0.06 0.53 -0.28 0.00 -0.36 0.00 0.00 55.97 55.80 2ohm s LYS 321 Cb -0.04 -2.79 0.03 0.00 -1.51 0.00 0.00 37.83 33.53 2ohm s LYS 321 CO 0.02 0.38 1.20 0.12 -0.36 0.00 0.00 175.35 176.71 2ohm s PHE 322 N -1.63 2.59 -1.97 4.03 5.99 -1.26 -2.92 117.98 122.81 2ohm s PHE 322 Ca 0.43 0.40 0.02 0.00 0.00 0.00 0.00 56.93 57.79 2ohm s PHE 322 Cb -0.14 -4.52 0.06 0.00 0.00 0.00 0.00 43.02 38.43 2ohm s PHE 322 CO 0.20 -1.62 1.04 0.00 -0.00 0.00 0.00 175.22 174.84 2ohm n ALA 323 N 8.51 2.49 -2.74 11.12 0.00 0.26 -4.69 120.51 135.47 2ohm n ALA 323 Ca 0.08 -0.13 -0.35 0.00 0.00 0.00 0.00 53.44 53.05 2ohm n ALA 323 Cb 0.49 -0.99 -0.10 0.00 0.00 0.00 0.00 19.45 18.85 2ohm n ALA 323 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2ohm s ILE 324 N -1.88 4.37 0.25 0.00 1.01 -1.26 -1.39 121.20 122.29 2ohm s ILE 324 Ca 0.05 -0.22 -0.19 0.00 0.00 0.00 0.00 60.65 60.29 2ohm s ILE 324 Cb 0.03 -2.86 0.02 0.00 0.01 0.00 0.00 42.46 39.65 2ohm s ILE 324 CO 0.03 0.58 0.63 -0.94 0.00 0.00 0.00 174.94 175.24 2ohm s SER 325 N -0.60 -0.25 0.58 3.58 1.04 -0.70 -4.84 113.70 112.52 2ohm s SER 325 Ca 0.10 -0.61 0.04 0.00 0.48 0.00 0.00 55.95 55.96 2ohm s SER 325 Cb -0.12 0.67 0.07 0.00 0.10 0.00 0.00 66.02 66.74 2ohm s SER 325 CO 0.02 -1.23 0.81 0.00 0.98 0.00 0.00 173.24 173.82 2ohm s GLN 326 N -3.92 2.29 0.18 4.02 -2.07 -1.26 -1.20 119.66 117.69 2ohm s GLN 326 Ca 0.12 -1.15 -0.24 0.00 -1.82 0.00 0.00 55.36 52.28 2ohm s GLN 326 Cb -0.04 -2.53 0.06 0.00 -1.09 0.00 0.00 33.01 29.41 2ohm s GLN 326 CO 0.04 -0.88 0.75 0.45 -1.32 0.00 0.00 175.29 174.33 2ohm s SER 327 N -4.56 -0.36 0.00 12.60 0.15 -0.34 -4.64 113.70 116.55 2ohm s SER 327 Ca 0.61 -0.28 0.00 0.00 0.70 0.00 0.00 55.95 56.97 2ohm s SER 327 Cb -0.08 0.59 0.00 0.00 -1.71 0.00 0.00 66.02 64.82 2ohm s SER 327 CO 0.39 -1.04 0.16 -1.54 1.20 0.00 0.00 173.24 172.42 2ohm n SER 328 N -0.40 0.29 0.09 5.45 3.41 -1.26 -3.13 113.62 118.07 2ohm n SER 328 Ca -0.09 -1.01 -0.16 0.00 -0.26 0.00 0.00 58.87 57.34 2ohm n SER 328 Cb 0.62 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.43 2ohm n SER 328 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 2ohm h THR 329 N 0.78 1.39 0.00 6.66 1.35 -1.95 -3.43 112.91 117.71 2ohm h THR 329 Ca 0.00 -2.97 0.00 0.00 -0.55 0.00 0.00 66.41 62.89 2ohm h THR 329 Cb 0.38 2.90 0.00 0.00 -1.73 0.00 0.00 68.15 69.70 2ohm h THR 329 CO 0.00 0.87 0.00 0.61 -0.25 0.00 0.00 175.52 176.75 2ohm n GLY 330 N 1.58 0.07 3.80 5.82 0.00 -1.26 -4.08 105.19 111.10 2ohm n GLY 330 Ca -0.11 -1.11 -0.36 0.00 0.00 0.00 0.00 46.02 44.43 2ohm n GLY 330 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ohm s THR 331 N -4.00 4.34 -0.21 2.61 2.01 0.17 -3.78 115.64 116.78 2ohm s THR 331 Ca 0.00 1.62 -0.04 0.00 0.31 0.00 0.00 61.69 63.57 2ohm s THR 331 Cb 0.00 -3.93 0.07 0.00 0.01 0.00 0.00 72.50 68.65 2ohm s THR 331 CO 0.00 0.13 0.10 -0.69 -0.69 0.00 0.00 174.62 173.46 2ohm s VAL 332 N -1.63 -0.03 -0.90 3.82 1.01 0.89 -1.52 120.40 122.04 2ohm s VAL 332 Ca 0.49 -0.39 -0.21 0.00 0.00 0.00 0.00 61.98 61.86 2ohm s VAL 332 Cb -0.17 -0.75 0.09 0.00 0.00 0.00 0.00 36.38 35.56 2ohm s VAL 332 CO 0.22 -0.42 1.19 -0.04 0.00 0.00 0.00 175.10 176.05 2ohm s MET 333 N 2.10 3.49 0.00 2.72 -1.94 -0.01 -1.78 119.30 123.88 2ohm s MET 333 Ca 0.04 -1.35 0.00 0.00 -1.71 0.00 0.00 55.69 52.67 2ohm s MET 333 Cb -0.16 -4.88 0.00 0.00 2.01 0.00 0.00 34.83 31.80 2ohm s MET 333 CO -0.18 -1.92 0.00 0.41 -0.01 0.00 0.00 175.02 173.33 2ohm n GLY 334 N 5.83 1.71 0.37 -0.03 0.00 -1.01 -1.59 105.19 110.47 2ohm n GLY 334 Ca 0.20 -1.93 0.20 0.00 0.00 0.00 0.00 46.02 44.49 2ohm n GLY 334 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ohm h ALA 335 N -1.11 1.94 -0.31 4.61 0.00 -0.31 0.47 119.26 124.56 2ohm h ALA 335 Ca 0.00 0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.09 2ohm h ALA 335 Cb 0.00 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 17.74 2ohm h ALA 335 CO 0.00 -0.40 -0.22 0.28 0.00 0.00 0.00 179.25 178.91 2ohm h VAL 336 N 0.51 0.42 0.14 0.00 2.07 -1.47 0.34 116.25 118.26 2ohm h VAL 336 Ca 0.64 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 68.15 2ohm h VAL 336 Cb 1.34 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 2ohm h VAL 336 CO -0.42 0.00 -0.07 0.40 0.02 0.00 0.00 177.57 177.50 2ohm h ILE 337 N -0.18 0.88 0.00 4.57 1.08 -1.42 -3.37 117.51 119.06 2ohm h ILE 337 Ca 0.16 -1.21 -0.01 0.00 -0.39 0.00 0.00 64.86 63.42 2ohm h ILE 337 Cb 0.43 1.50 -0.00 0.00 -3.07 0.00 0.00 36.82 35.68 2ohm h ILE 337 CO -0.42 0.24 -0.03 0.24 -0.69 0.00 0.00 178.15 177.48 2ohm h MET 338 N -0.87 0.00 0.00 2.37 2.86 -0.77 -0.91 114.93 117.61 2ohm h MET 338 Ca -0.02 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.59 2ohm h MET 338 Cb 0.53 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.19 2ohm h MET 338 CO 0.03 0.03 -0.15 0.93 1.06 0.00 0.00 176.91 178.82 2ohm h GLU 339 N 0.00 0.00 -0.00 1.72 5.08 -1.08 -2.68 114.58 117.61 2ohm h GLU 339 Ca -0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 2ohm h GLU 339 Cb 0.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 2ohm h GLU 339 CO 0.00 0.15 -0.32 0.78 -1.00 0.00 0.00 179.01 178.62 2ohm h GLY 340 N 2.94 0.01 -3.24 -3.84 0.00 -1.33 -3.40 103.07 94.22 2ohm h GLY 340 Ca -0.00 -0.01 -0.30 0.00 0.00 0.00 0.00 47.33 47.02 2ohm h GLY 340 CO 0.02 0.01 -0.72 -1.36 0.00 0.00 0.00 176.54 174.49 2ohm s PHE 341 N -4.32 1.10 -0.16 5.60 0.08 -1.01 -1.78 117.98 117.49 2ohm s PHE 341 Ca -0.03 -0.75 -0.23 0.00 0.12 0.00 0.00 56.93 56.04 2ohm s PHE 341 Cb 0.15 -0.59 -0.02 0.00 -0.57 0.00 0.00 43.02 41.99 2ohm s PHE 341 CO 0.72 -0.00 0.72 -0.47 -0.10 0.00 0.00 175.22 176.09 2ohm s TYR 342 N -3.00 3.44 -0.22 0.36 5.04 0.10 -4.52 117.35 118.56 2ohm s TYR 342 Ca 0.11 1.13 0.02 0.00 -2.44 0.00 0.00 57.07 55.88 2ohm s TYR 342 Cb 0.01 -2.88 0.04 0.00 0.35 0.00 0.00 41.96 39.48 2ohm s TYR 342 CO -0.01 -0.14 -0.14 0.08 -1.34 0.00 0.00 175.55 174.00 2ohm s VAL 343 N 1.74 2.03 -0.28 3.14 1.01 -0.70 -1.80 120.40 125.55 2ohm s VAL 343 Ca 0.34 -1.25 -0.10 0.00 0.00 0.00 0.00 61.98 60.97 2ohm s VAL 343 Cb -0.16 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.16 2ohm s VAL 343 CO 0.13 0.23 0.17 -0.69 0.00 0.00 0.00 175.10 174.94 2ohm s VAL 344 N 1.23 5.11 -1.11 2.92 1.01 0.12 -0.95 120.40 128.74 2ohm s VAL 344 Ca -0.02 0.09 -0.11 0.00 0.00 0.00 0.00 61.98 61.94 2ohm s VAL 344 Cb -0.17 -3.44 0.24 0.00 0.00 0.00 0.00 36.38 33.02 2ohm s VAL 344 CO -0.09 0.26 1.16 -0.36 0.00 0.00 0.00 175.10 176.07 2ohm s PHE 345 N 1.73 4.01 -1.35 5.22 0.40 0.70 -0.49 117.98 128.21 2ohm s PHE 345 Ca 0.07 -2.46 -0.17 0.00 -0.60 0.00 0.00 56.93 53.77 2ohm s PHE 345 Cb -0.16 -3.97 0.06 0.00 0.51 0.00 0.00 43.02 39.47 2ohm s PHE 345 CO 0.10 -1.08 1.89 -3.47 0.70 0.00 0.00 175.22 173.35 2ohm n ASP 346 N 3.64 4.62 -0.30 1.36 2.03 -0.24 -2.37 116.55 125.29 2ohm n ASP 346 Ca 0.26 -2.90 -0.05 0.00 0.52 0.00 0.00 54.79 52.63 2ohm n ASP 346 Cb 0.41 -1.72 0.07 0.00 -0.72 0.00 0.00 41.12 39.16 2ohm n ASP 346 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 2ohm h ARG 347 N 7.07 1.15 -1.01 -0.67 3.08 -1.73 -1.57 114.38 120.71 2ohm h ARG 347 Ca 0.48 -0.14 0.24 0.00 0.07 0.00 0.00 59.98 60.63 2ohm h ARG 347 Cb 0.80 -0.22 -0.09 0.00 0.08 0.00 0.00 29.97 30.53 2ohm h ARG 347 CO 1.59 0.86 0.64 0.00 -1.07 0.00 0.00 179.97 181.99 2ohm h ALA 348 N 1.23 2.10 -0.35 0.04 0.00 -0.87 -1.11 119.26 120.30 2ohm h ALA 348 Ca 0.29 0.06 -0.14 0.00 0.00 0.00 0.00 54.91 55.12 2ohm h ALA 348 Cb 0.06 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.76 2ohm h ALA 348 CO -0.04 -0.49 -0.01 0.54 0.00 0.00 0.00 179.25 179.25 2ohm n ARG 349 N -4.65 2.24 -4.05 0.00 1.74 -0.66 -4.98 116.66 106.29 2ohm n ARG 349 Ca 0.24 -3.05 -0.39 0.00 -0.77 0.00 0.00 57.85 53.88 2ohm n ARG 349 Cb 0.79 -1.85 -0.00 0.00 -1.02 0.00 0.00 32.46 30.38 2ohm n ARG 349 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2ohm n LYS 350 N -0.91 -0.86 -3.49 5.56 5.02 -0.42 -4.86 118.16 118.19 2ohm n LYS 350 Ca 0.30 0.17 -0.14 0.00 -2.02 0.00 0.00 58.31 56.63 2ohm n LYS 350 Cb 1.02 -3.22 -0.04 0.00 -0.02 0.00 0.00 35.03 32.78 2ohm n LYS 350 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 2ohm s ARG 351 N -7.10 1.06 -0.16 1.97 1.70 -0.77 -1.15 118.95 114.51 2ohm s ARG 351 Ca 0.34 -0.11 0.02 0.00 -0.47 0.00 0.00 55.73 55.51 2ohm s ARG 351 Cb -0.17 0.49 0.02 0.00 -0.57 0.00 0.00 34.95 34.72 2ohm s ARG 351 CO 0.95 -0.41 -0.20 0.42 -1.08 0.00 0.00 175.30 174.99 2ohm s ILE 352 N -2.43 1.98 -0.06 4.99 1.01 0.08 -1.08 121.20 125.70 2ohm s ILE 352 Ca -0.03 -0.91 -0.06 0.00 0.00 0.00 0.00 60.65 59.65 2ohm s ILE 352 Cb -0.01 -1.78 -0.04 0.00 0.01 0.00 0.00 42.46 40.64 2ohm s ILE 352 CO -0.02 0.53 0.18 -0.83 0.00 0.00 0.00 174.94 174.80 2ohm s GLY 353 N 1.11 2.19 -0.05 6.18 0.00 0.36 -0.10 107.32 117.00 2ohm s GLY 353 Ca -0.00 -0.66 0.04 0.00 0.00 0.00 0.00 44.72 44.11 2ohm s GLY 353 CO -0.08 -0.45 -0.19 -1.36 0.00 0.00 0.00 173.10 171.02 2ohm s PHE 354 N -1.17 1.94 0.01 1.90 0.40 0.34 -0.70 117.98 120.69 2ohm s PHE 354 Ca 0.21 -0.61 -0.00 0.00 -0.60 0.00 0.00 56.93 55.93 2ohm s PHE 354 Cb -0.13 -1.30 -0.01 0.00 0.51 0.00 0.00 43.02 42.09 2ohm s PHE 354 CO 0.11 -0.22 -0.01 0.00 0.70 0.00 0.00 175.22 175.80 2ohm s ALA 355 N 0.09 0.06 -0.19 5.36 0.00 -0.75 -0.28 121.76 126.06 2ohm s ALA 355 Ca -0.07 -0.34 -0.37 0.00 0.00 0.00 0.00 51.96 51.18 2ohm s ALA 355 Cb -0.13 0.09 -0.13 0.00 0.00 0.00 0.00 23.12 22.94 2ohm s ALA 355 CO 0.03 -0.10 1.84 0.28 0.00 0.00 0.00 175.76 177.82 2ohm n VAL 356 N 2.19 0.44 -2.27 0.00 0.31 -1.25 0.02 118.33 117.76 2ohm n VAL 356 Ca -0.19 -0.09 -0.42 0.00 -0.01 0.00 0.00 64.34 63.63 2ohm n VAL 356 Cb 0.57 -1.57 -0.03 0.00 -0.91 0.00 0.00 33.84 31.90 2ohm n VAL 356 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2ohm s SER 357 N 4.04 6.94 0.00 4.52 0.15 -0.74 -1.77 113.70 126.85 2ohm s SER 357 Ca 0.96 2.27 0.05 0.00 0.70 0.00 0.00 55.95 59.94 2ohm s SER 357 Cb -0.87 -2.59 0.31 0.00 -1.71 0.00 0.00 66.02 61.15 2ohm s SER 357 CO 0.58 -0.54 0.85 0.00 1.20 0.00 0.00 173.24 175.34 2ohm n ALA 358 N 3.35 1.63 -0.93 5.45 0.00 0.40 -2.55 120.51 127.87 2ohm n ALA 358 Ca 0.08 -0.03 0.02 0.00 0.00 0.00 0.00 53.44 53.51 2ohm n ALA 358 Cb 0.44 -1.09 0.03 0.00 0.00 0.00 0.00 19.45 18.82 2ohm n ALA 358 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ohm s HIS 360 N -0.81 3.55 -1.13 0.00 -0.00 -1.06 -4.85 115.29 110.99 2ohm s HIS 360 Ca 0.06 1.36 -0.14 0.00 -0.00 0.00 0.00 55.06 56.33 2ohm s HIS 360 Cb 0.05 -2.75 0.18 0.00 -0.00 0.00 0.00 32.58 30.06 2ohm s HIS 360 CO 0.01 -0.61 1.32 0.14 -0.00 0.00 0.00 174.74 175.60 2ohm s VAL 361 N -2.98 5.11 0.37 -5.38 -7.23 -1.26 -5.01 120.40 104.02 2ohm s VAL 361 Ca 0.56 -2.54 0.01 0.00 -1.81 0.00 0.00 61.98 58.21 2ohm s VAL 361 Cb -0.11 -4.84 -0.02 0.00 0.56 0.00 0.00 36.38 31.97 2ohm s VAL 361 CO 0.46 -1.53 0.57 -1.38 -0.31 0.00 0.00 175.10 172.92 2ohm s HIS 362 N 1.40 3.42 0.00 2.82 -3.43 -1.26 -4.88 115.29 113.35 2ohm s HIS 362 Ca 0.39 0.29 0.00 0.00 -0.80 0.00 0.00 55.06 54.94 2ohm s HIS 362 Cb -0.04 -2.00 0.00 0.00 -1.43 0.00 0.00 32.58 29.11 2ohm s HIS 362 CO -0.03 0.00 0.00 -0.40 -2.00 0.00 0.00 174.74 172.32 2ohm n ASP 363 N -1.85 0.00 -0.30 7.38 3.85 -1.25 -5.05 116.55 119.33 2ohm n ASP 363 Ca -0.03 0.00 0.10 0.00 -0.71 0.00 0.00 54.79 54.15 2ohm n ASP 363 Cb 0.57 0.00 -0.04 0.00 -1.35 0.00 0.00 41.12 40.29 2ohm n ASP 363 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.20 177.40 2ohm n GLU 364 N 0.00 1.08 0.00 0.11 4.07 -1.26 -4.63 120.64 120.01 2ohm n GLU 364 Ca 0.00 -0.61 0.00 0.00 -0.06 0.00 0.00 57.16 56.49 2ohm n GLU 364 Cb 0.00 -1.42 0.00 0.00 -0.06 0.00 0.00 31.44 29.96 2ohm n GLU 364 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 2ohm n PHE 365 N -0.55 0.00 -2.93 4.31 3.01 -1.26 -5.05 117.46 114.99 2ohm n PHE 365 Ca 0.07 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.34 2ohm n PHE 365 Cb 0.39 -0.07 0.02 0.00 -0.01 0.00 0.00 39.48 39.80 2ohm n PHE 365 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 2ohm s ARG 366 N -0.56 2.77 0.06 -1.08 0.52 -1.26 -5.13 118.95 114.27 2ohm s ARG 366 Ca 0.00 -1.05 -0.23 0.00 -0.52 0.00 0.00 55.73 53.93 2ohm s ARG 366 Cb 0.00 -2.67 0.06 0.00 0.52 0.00 0.00 34.95 32.85 2ohm s ARG 366 CO 0.00 -0.38 0.54 0.99 0.02 0.00 0.00 175.30 176.46 2ohm s THR 367 N -2.47 0.02 0.34 0.02 2.01 -1.26 -3.90 115.64 110.40 2ohm s THR 367 Ca 0.55 -0.20 -0.27 0.00 0.31 0.00 0.00 61.69 62.07 2ohm s THR 367 Cb -0.10 -1.00 -0.09 0.00 0.01 0.00 0.00 72.50 71.32 2ohm s THR 367 CO 0.35 -0.11 1.09 0.00 -0.69 0.00 0.00 174.62 175.26 2ohm s ALA 368 N -2.67 3.25 0.04 7.40 0.00 -1.26 -4.86 121.76 123.66 2ohm s ALA 368 Ca -0.04 0.84 0.03 0.00 0.00 0.00 0.00 51.96 52.79 2ohm s ALA 368 Cb -0.00 -3.32 -0.02 0.00 0.00 0.00 0.00 23.12 19.77 2ohm s ALA 368 CO -0.03 -0.25 -0.08 0.00 0.00 0.00 0.00 175.76 175.40 2ohm s ALA 369 N -1.38 0.63 -0.17 0.00 0.00 -0.93 -4.90 121.76 115.01 2ohm s ALA 369 Ca 0.51 -0.77 0.01 0.00 0.00 0.00 0.00 51.96 51.71 2ohm s ALA 369 Cb -0.28 0.02 0.03 0.00 0.00 0.00 0.00 23.12 22.88 2ohm s ALA 369 CO 0.36 0.01 -0.15 0.08 0.00 0.00 0.00 175.76 176.05 2ohm s VAL 370 N -1.32 1.75 0.02 0.00 1.01 -1.26 -0.89 120.40 119.71 2ohm s VAL 370 Ca -0.09 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.10 2ohm s VAL 370 Cb -0.10 -1.65 -0.01 0.00 0.00 0.00 0.00 36.38 34.62 2ohm s VAL 370 CO 0.01 0.43 -0.04 -1.61 0.00 0.00 0.00 175.10 173.88 2ohm s GLU 371 N 1.40 0.35 0.16 2.72 2.02 -0.50 -4.90 118.70 119.95 2ohm s GLU 371 Ca 0.04 -0.46 -0.14 0.00 0.02 0.00 0.00 54.97 54.43 2ohm s GLU 371 Cb -0.14 -0.15 0.05 0.00 0.10 0.00 0.00 34.13 34.00 2ohm s GLU 371 CO -0.11 0.03 0.69 0.41 0.02 0.00 0.00 175.26 176.30 2ohm n GLY 372 N 2.11 0.91 3.88 -1.39 0.00 -1.26 -0.92 105.19 108.52 2ohm n GLY 372 Ca -0.19 -1.10 -0.31 0.00 0.00 0.00 0.00 46.02 44.42 2ohm n GLY 372 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ohm s PRO 373 N -2.04 3.75 0.28 1.61 0.04 -1.26 -5.10 135.00 132.27 2ohm s PRO 373 Ca 0.15 0.21 0.10 0.00 0.04 0.00 0.00 61.00 61.50 2ohm s PRO 373 Cb -0.02 -2.61 -0.04 0.00 0.04 0.00 0.00 34.50 31.86 2ohm s PRO 373 CO 0.05 0.24 -0.01 -0.06 0.04 0.00 0.00 177.00 177.26 2ohm s PHE 374 N -1.97 2.65 -0.37 0.56 0.08 0.89 -4.95 117.98 114.86 2ohm s PHE 374 Ca 0.47 -0.25 -0.12 0.00 0.12 0.00 0.00 56.93 57.14 2ohm s PHE 374 Cb -0.11 -1.22 0.02 0.00 -0.57 0.00 0.00 43.02 41.14 2ohm s PHE 374 CO 0.25 0.60 0.23 0.08 -0.10 0.00 0.00 175.22 176.29 2ohm s VAL 375 N -2.36 4.85 -0.11 -0.44 1.01 -1.26 -0.82 120.40 121.27 2ohm s VAL 375 Ca 0.32 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.62 2ohm s VAL 375 Cb -0.06 -3.65 0.02 0.00 0.00 0.00 0.00 36.38 32.69 2ohm s VAL 375 CO 0.20 -0.20 -0.10 -0.89 0.00 0.00 0.00 175.10 174.11 2ohm s THR 376 N 1.62 1.20 0.25 3.92 2.01 -0.72 -4.97 115.64 118.95 2ohm s THR 376 Ca 0.04 -0.42 -0.12 0.00 0.31 0.00 0.00 61.69 61.50 2ohm s THR 376 Cb -0.19 -1.17 -0.08 0.00 0.01 0.00 0.00 72.50 71.08 2ohm s THR 376 CO 0.08 0.39 0.61 -0.76 -0.69 0.00 0.00 174.62 174.25 2ohm s LEU 377 N 1.47 4.15 -1.05 4.42 1.43 -1.26 -4.16 118.68 123.68 2ohm s LEU 377 Ca 0.02 1.05 -0.02 0.00 -1.03 0.00 0.00 54.13 54.15 2ohm s LEU 377 Cb -0.13 -3.78 0.00 0.00 0.03 0.00 0.00 46.19 42.31 2ohm s LEU 377 CO -0.07 -0.10 0.23 0.47 0.23 0.00 0.00 176.35 177.11 2ohm n ASP 378 N -0.13 -4.33 0.00 2.29 8.00 -1.26 -4.91 116.55 116.21 2ohm n ASP 378 Ca 0.01 -0.11 0.06 0.00 0.71 0.00 0.00 54.79 55.46 2ohm n ASP 378 Cb 0.53 -3.32 0.46 0.00 -0.02 0.00 0.00 41.12 38.76 2ohm n ASP 378 CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 2ohm h MET 379 N -0.53 0.46 0.00 -1.24 2.86 -1.99 -1.12 114.93 113.37 2ohm h MET 379 Ca -0.33 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.28 2ohm h MET 379 Cb 1.23 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.79 2ohm h MET 379 CO 0.37 0.31 0.00 0.93 1.06 0.00 0.00 176.91 179.57 2ohm h GLU 380 N 0.48 0.00 0.00 1.72 3.07 -1.97 -2.53 114.58 115.35 2ohm h GLU 380 Ca 0.16 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.02 2ohm h GLU 380 Cb 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.98 2ohm h GLU 380 CO -0.04 0.00 0.00 -0.25 -1.40 0.00 0.00 179.01 177.32 2ohm n ASP 381 N -2.51 0.24 0.15 1.42 8.00 -0.42 -3.30 116.55 120.13 2ohm n ASP 381 Ca 0.01 0.53 0.03 0.00 0.71 0.00 0.00 54.79 56.07 2ohm n ASP 381 Cb 0.19 -0.59 0.07 0.00 -0.02 0.00 0.00 41.12 40.76 2ohm n ASP 381 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2ohm s GLY 383 N -4.45 2.83 0.22 0.00 0.00 -1.21 -4.13 107.32 100.58 2ohm s GLY 383 Ca 0.03 1.07 0.02 0.00 0.00 0.00 0.00 44.72 45.84 2ohm s GLY 383 CO 0.74 1.57 0.38 -0.47 0.00 0.00 0.00 173.10 175.31 2ohm s TYR 384 N -1.43 3.48 0.00 1.90 5.04 -1.26 -5.00 117.35 120.07 2ohm s TYR 384 Ca 0.63 0.20 0.00 0.00 -2.44 0.00 0.00 57.07 55.46 2ohm s TYR 384 Cb -0.33 -1.74 0.00 0.00 0.35 0.00 0.00 41.96 40.24 2ohm s TYR 384 CO 0.40 0.39 0.03 0.09 -1.34 0.00 0.00 175.55 175.13