#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gxm s ARG 2 N 0.00 0.69 0.70 0.00 0.52 -1.23 -4.97 118.95 114.65 3gxm s ARG 2 Ca 0.00 0.01 -0.12 0.00 -0.52 0.00 0.00 55.73 55.10 3gxm s ARG 2 Cb 0.00 -0.89 0.02 0.00 0.52 0.00 0.00 34.95 34.60 3gxm s ARG 2 CO 0.00 -0.20 1.08 -1.25 0.02 0.00 0.00 175.30 174.95 3gxm s PRO 3 N 1.46 2.75 0.29 3.54 0.04 -1.26 -1.51 135.00 140.30 3gxm s PRO 3 Ca -0.03 1.15 -0.30 0.00 0.04 0.00 0.00 61.00 61.86 3gxm s PRO 3 Cb -0.13 -1.96 -0.12 0.00 0.04 0.00 0.00 34.50 32.33 3gxm s PRO 3 CO -0.03 -1.26 1.59 0.00 0.04 0.00 0.00 177.00 177.34 3gxm s ILE 5 N 0.01 4.80 0.34 0.00 -1.09 -1.26 -5.01 121.20 118.99 3gxm s ILE 5 Ca 0.64 -0.28 -0.25 0.00 -2.23 0.00 0.00 60.65 58.53 3gxm s ILE 5 Cb -0.50 -4.31 -0.10 0.00 -1.58 0.00 0.00 42.46 35.97 3gxm s ILE 5 CO 0.48 -0.81 0.96 -2.16 -1.23 0.00 0.00 174.94 172.19 3gxm s PRO 6 N 2.84 4.49 -0.04 2.79 0.04 -1.26 -1.50 135.00 142.36 3gxm s PRO 6 Ca 0.18 1.35 -0.03 0.00 0.04 0.00 0.00 61.00 62.54 3gxm s PRO 6 Cb -0.17 -2.72 0.01 0.00 0.04 0.00 0.00 34.50 31.66 3gxm s PRO 6 CO 0.14 0.19 0.10 0.21 0.04 0.00 0.00 177.00 177.68 3gxm s LYS 7 N -2.20 0.10 0.04 4.56 2.20 -0.11 -4.91 119.74 119.42 3gxm s LYS 7 Ca 0.52 0.17 0.01 0.00 -0.36 0.00 0.00 55.97 56.30 3gxm s LYS 7 Cb -0.19 0.02 -0.04 0.00 -1.51 0.00 0.00 37.83 36.11 3gxm s LYS 7 CO 0.24 -0.04 0.11 0.45 -0.36 0.00 0.00 175.35 175.75 3gxm s SER 8 N 0.23 5.78 -0.03 1.43 0.15 -1.26 -0.83 113.70 119.16 3gxm s SER 8 Ca -0.01 0.12 0.04 0.00 0.70 0.00 0.00 55.95 56.80 3gxm s SER 8 Cb -0.02 -1.65 0.06 0.00 -1.71 0.00 0.00 66.02 62.69 3gxm s SER 8 CO -0.01 0.22 0.90 0.49 1.20 0.00 0.00 173.24 176.04 3gxm n PHE 9 N 0.76 0.00 -0.11 3.44 3.01 -1.26 -4.99 117.46 118.30 3gxm n PHE 9 Ca -0.10 -0.39 0.00 0.00 1.01 0.00 0.00 57.45 57.97 3gxm n PHE 9 Cb 0.52 -0.06 0.00 0.00 -0.01 0.00 0.00 39.48 39.93 3gxm n PHE 9 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3gxm n GLY 10 N -0.48 0.90 0.00 1.37 0.00 -1.26 -4.97 105.19 100.75 3gxm n GLY 10 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3gxm n GLY 10 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3gxm n TYR 11 N -2.10 -1.84 0.26 1.61 4.02 -1.26 -4.99 117.16 112.86 3gxm n TYR 11 Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 58.02 3gxm n TYR 11 Cb 0.00 0.00 0.73 0.00 -0.02 0.00 0.00 39.34 40.05 3gxm n TYR 11 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 3gxm h SER 12 N 0.00 0.00 -0.85 7.72 4.64 -1.91 -3.46 113.55 119.69 3gxm h SER 12 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gxm h SER 12 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3gxm h SER 12 CO 0.00 0.11 0.00 -0.24 -0.87 0.00 0.00 176.83 175.83 3gxm n SER 13 N -3.52 0.00 -4.58 4.97 2.88 -0.16 -4.84 113.62 108.37 3gxm n SER 13 Ca -0.01 -0.48 -0.24 0.00 -1.33 0.00 0.00 58.87 56.80 3gxm n SER 13 Cb 0.26 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.63 3gxm n SER 13 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 3gxm s VAL 14 N -1.84 3.12 0.31 2.46 -7.23 -1.24 -4.57 120.40 111.41 3gxm s VAL 14 Ca 0.00 -1.99 0.03 0.00 -1.81 0.00 0.00 61.98 58.21 3gxm s VAL 14 Cb 0.00 -2.63 -0.03 0.00 0.56 0.00 0.00 36.38 34.28 3gxm s VAL 14 CO 0.00 -0.32 0.47 0.68 -0.31 0.00 0.00 175.10 175.62 3gxm s VAL 15 N -2.23 4.91 -0.18 1.32 -7.23 -0.01 -4.41 120.40 112.57 3gxm s VAL 15 Ca 0.29 -0.76 -0.09 0.00 -1.81 0.00 0.00 61.98 59.61 3gxm s VAL 15 Cb -0.07 -3.76 -0.05 0.00 0.56 0.00 0.00 36.38 33.07 3gxm s VAL 15 CO 0.17 -0.38 0.13 0.00 -0.31 0.00 0.00 175.10 174.71 3gxm s VAL 17 N 0.04 5.27 0.17 0.00 1.01 -0.57 -0.50 120.40 125.82 3gxm s VAL 17 Ca 0.09 0.15 0.11 0.00 0.00 0.00 0.00 61.98 62.33 3gxm s VAL 17 Cb -0.11 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 3gxm s VAL 17 CO -0.01 0.32 -0.24 0.00 0.00 0.00 0.00 175.10 175.18 3gxm n ASN 19 N 0.51 0.00 0.22 0.00 0.23 -0.60 -0.44 115.26 115.17 3gxm n ASN 19 Ca -0.14 0.00 0.11 0.00 -0.53 0.00 0.00 54.58 54.02 3gxm n ASN 19 Cb 0.55 0.00 0.24 0.00 -2.08 0.00 0.00 39.78 38.48 3gxm n ASN 19 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3gxm h ALA 20 N 1.21 0.95 0.00 -2.53 0.00 -1.89 -3.32 119.26 113.69 3gxm h ALA 20 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3gxm h ALA 20 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3gxm h ALA 20 CO 0.00 0.12 -1.00 0.25 0.00 0.00 0.00 179.25 178.62 3gxm n THR 21 N -3.14 0.00 -3.74 0.00 -2.24 -1.26 -4.23 114.28 99.68 3gxm n THR 21 Ca 0.03 -0.16 -0.19 0.00 -2.27 0.00 0.00 64.05 61.46 3gxm n THR 21 Cb 0.53 0.52 -0.17 0.00 -2.10 0.00 0.00 70.33 69.11 3gxm n THR 21 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3gxm s TYR 22 N -2.12 0.17 -0.05 4.78 5.04 -1.25 -5.14 117.35 118.78 3gxm s TYR 22 Ca -0.01 0.14 -0.04 0.00 -2.44 0.00 0.00 57.07 54.72 3gxm s TYR 22 Cb 0.03 -0.46 0.01 0.00 0.35 0.00 0.00 41.96 41.90 3gxm s TYR 22 CO 0.18 -0.18 0.12 0.00 -1.34 0.00 0.00 175.55 174.34 3gxm s ASP 24 N 0.16 6.37 0.36 0.00 -4.77 -1.26 -4.74 116.67 112.79 3gxm s ASP 24 Ca -0.01 2.99 -0.01 0.00 -3.30 0.00 0.00 52.55 52.22 3gxm s ASP 24 Cb -0.02 -2.65 0.00 0.00 -1.09 0.00 0.00 42.92 39.17 3gxm s ASP 24 CO -0.00 -0.88 0.48 -0.94 0.70 0.00 0.00 175.17 174.52 3gxm s SER 25 N 0.17 1.10 0.21 2.11 1.04 -0.57 -4.94 113.70 112.81 3gxm s SER 25 Ca 0.58 -1.56 0.11 0.00 0.48 0.00 0.00 55.95 55.56 3gxm s SER 25 Cb -0.47 0.68 -0.05 0.00 0.10 0.00 0.00 66.02 66.29 3gxm s SER 25 CO 0.55 -1.32 -0.21 -0.36 0.98 0.00 0.00 173.24 172.88 3gxm s PHE 26 N -2.92 2.16 0.71 5.02 0.40 -0.76 -3.43 117.98 119.17 3gxm s PHE 26 Ca 0.31 -0.39 -0.11 0.00 -0.60 0.00 0.00 56.93 56.14 3gxm s PHE 26 Cb -0.01 -1.03 0.02 0.00 0.51 0.00 0.00 43.02 42.51 3gxm s PHE 26 CO 0.22 0.51 1.07 -0.51 0.70 0.00 0.00 175.22 177.22 3gxm s ASP 27 N -2.92 5.06 0.32 1.36 1.01 -1.26 -4.36 116.67 115.87 3gxm s ASP 27 Ca 0.22 1.73 -0.28 0.00 0.71 0.00 0.00 52.55 54.93 3gxm s ASP 27 Cb -0.06 -2.51 -0.13 0.00 1.01 0.00 0.00 42.92 41.23 3gxm s ASP 27 CO 0.10 -1.66 1.22 -2.65 0.21 0.00 0.00 175.17 172.40 3gxm n PRO 28 N -3.15 1.90 -2.11 8.23 -0.02 -1.26 -4.83 135.00 133.77 3gxm n PRO 28 Ca 0.08 0.67 -0.42 0.00 -2.02 0.00 0.00 63.50 61.81 3gxm n PRO 28 Cb 0.53 -2.20 -0.03 0.00 -0.02 0.00 0.00 33.50 31.79 3gxm n PRO 28 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3gxm s PRO 29 N -1.69 4.22 0.18 0.52 0.04 -1.26 -5.04 135.00 131.97 3gxm s PRO 29 Ca 0.57 2.08 0.09 0.00 0.04 0.00 0.00 61.00 63.79 3gxm s PRO 29 Cb -0.61 -3.77 -0.04 0.00 0.04 0.00 0.00 34.50 30.12 3gxm s PRO 29 CO 0.61 -0.73 -0.13 0.95 0.04 0.00 0.00 177.00 177.74 3gxm s THR 30 N 3.24 3.01 0.37 1.26 -4.23 -1.26 -5.14 115.64 112.89 3gxm s THR 30 Ca 0.68 -1.73 -0.16 0.00 -1.18 0.00 0.00 61.69 59.30 3gxm s THR 30 Cb -0.32 -2.48 -0.09 0.00 1.34 0.00 0.00 72.50 70.95 3gxm s THR 30 CO 0.27 -0.10 0.81 0.72 -0.54 0.00 0.00 174.62 175.78 3gxm s PHE 31 N -1.68 3.36 0.37 3.99 -0.71 -1.26 -5.04 117.98 117.02 3gxm s PHE 31 Ca 0.24 1.33 -0.26 0.00 -1.04 0.00 0.00 56.93 57.20 3gxm s PHE 31 Cb -0.09 -2.63 -0.09 0.00 -1.21 0.00 0.00 43.02 39.00 3gxm s PHE 31 CO 0.14 -0.01 1.11 -1.25 -1.34 0.00 0.00 175.22 173.87 3gxm s PRO 32 N -3.16 4.23 0.29 1.99 0.04 -1.26 -4.96 135.00 132.16 3gxm s PRO 32 Ca 0.57 1.70 -0.29 0.00 0.04 0.00 0.00 61.00 63.02 3gxm s PRO 32 Cb -0.10 -2.74 -0.10 0.00 0.04 0.00 0.00 34.50 31.60 3gxm s PRO 32 CO 0.18 -0.13 1.39 0.00 0.04 0.00 0.00 177.00 178.48 3gxm s ALA 33 N -1.45 3.57 0.04 8.56 0.00 -1.26 -4.53 121.76 126.68 3gxm s ALA 33 Ca 0.54 1.31 -0.34 0.00 0.00 0.00 0.00 51.96 53.47 3gxm s ALA 33 Cb -0.28 -3.53 -0.18 0.00 0.00 0.00 0.00 23.12 19.14 3gxm s ALA 33 CO 0.35 -0.72 0.88 -0.11 0.00 0.00 0.00 175.76 176.16 3gxm n LEU 34 N 1.62 -0.24 0.00 0.00 7.94 -1.26 -1.06 117.00 124.00 3gxm n LEU 34 Ca 0.04 1.06 0.00 0.00 -1.11 0.00 0.00 56.01 55.99 3gxm n LEU 34 Cb 0.41 -0.85 0.00 0.00 0.53 0.00 0.00 43.42 43.51 3gxm n LEU 34 CO 0.60 -1.95 0.00 0.61 -1.11 0.00 0.00 177.39 175.54 3gxm n GLY 35 N 1.47 0.93 3.29 -3.96 0.00 -1.26 -5.05 105.19 100.61 3gxm n GLY 35 Ca 0.18 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.03 3gxm n GLY 35 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gxm s THR 36 N -3.10 1.49 0.08 2.61 -4.23 -0.23 -1.44 115.64 110.83 3gxm s THR 36 Ca 0.00 -2.04 0.09 0.00 -1.18 0.00 0.00 61.69 58.56 3gxm s THR 36 Cb 0.00 -1.86 -0.04 0.00 1.34 0.00 0.00 72.50 71.94 3gxm s THR 36 CO 0.00 -0.58 -0.23 0.72 -0.54 0.00 0.00 174.62 173.99 3gxm s PHE 37 N -2.84 2.42 -0.01 3.99 -0.12 -0.78 -4.47 117.98 116.17 3gxm s PHE 37 Ca 0.17 -0.33 -0.10 0.00 -0.05 0.00 0.00 56.93 56.62 3gxm s PHE 37 Cb -0.01 -1.36 -0.05 0.00 -0.63 0.00 0.00 43.02 40.97 3gxm s PHE 37 CO 0.04 0.27 0.32 -1.12 -0.05 0.00 0.00 175.22 174.68 3gxm s SER 38 N -1.72 6.62 -0.06 1.98 0.01 0.07 -1.43 113.70 119.16 3gxm s SER 38 Ca 0.14 0.74 0.03 0.00 1.31 0.00 0.00 55.95 58.17 3gxm s SER 38 Cb -0.10 -2.16 0.01 0.00 0.21 0.00 0.00 66.02 63.97 3gxm s SER 38 CO 0.06 0.30 -0.13 -0.60 0.41 0.00 0.00 173.24 173.28 3gxm s ARG 39 N -1.35 1.76 -0.10 12.44 3.52 -0.15 -1.41 118.95 133.66 3gxm s ARG 39 Ca 0.24 -0.45 -0.02 0.00 -0.13 0.00 0.00 55.73 55.36 3gxm s ARG 39 Cb -0.14 -1.45 -0.03 0.00 -1.56 0.00 0.00 34.95 31.76 3gxm s ARG 39 CO 0.13 0.06 -0.01 0.71 -0.81 0.00 0.00 175.30 175.38 3gxm s TYR 40 N 0.57 3.12 -0.07 5.12 1.51 0.29 -1.35 117.35 126.54 3gxm s TYR 40 Ca -0.14 0.08 0.01 0.00 -1.01 0.00 0.00 57.07 56.01 3gxm s TYR 40 Cb -0.15 -1.83 0.02 0.00 -0.11 0.00 0.00 41.96 39.88 3gxm s TYR 40 CO 0.04 0.34 -0.07 -2.00 -1.11 0.00 0.00 175.55 172.75 3gxm s GLU 41 N -0.55 1.21 -0.02 -0.62 2.12 -0.06 -2.20 118.70 118.58 3gxm s GLU 41 Ca 0.09 -0.20 0.07 0.00 0.36 0.00 0.00 54.97 55.29 3gxm s GLU 41 Cb -0.12 -1.19 -0.02 0.00 0.26 0.00 0.00 34.13 33.06 3gxm s GLU 41 CO 0.02 -0.12 -0.25 -1.12 -0.54 0.00 0.00 175.26 173.26 3gxm s SER 42 N 1.15 2.89 0.11 -1.70 0.01 -0.82 -0.75 113.70 114.60 3gxm s SER 42 Ca -0.07 -0.45 0.00 0.00 1.31 0.00 0.00 55.95 56.75 3gxm s SER 42 Cb -0.14 -0.36 -0.04 0.00 0.21 0.00 0.00 66.02 65.68 3gxm s SER 42 CO -0.01 0.30 -0.01 0.42 0.41 0.00 0.00 173.24 174.35 3gxm s THR 43 N -0.54 0.40 0.19 1.44 -4.23 -0.18 -0.84 115.64 111.88 3gxm s THR 43 Ca 0.08 -1.90 -0.08 0.00 -1.18 0.00 0.00 61.69 58.61 3gxm s THR 43 Cb -0.10 -1.84 0.03 0.00 1.34 0.00 0.00 72.50 71.93 3gxm s THR 43 CO -0.01 -0.71 1.60 -0.09 -0.54 0.00 0.00 174.62 174.88 3gxm h ARG 44 N 2.93 0.92 -0.02 3.99 2.43 -1.73 -2.17 114.38 120.73 3gxm h ARG 44 Ca -0.35 -0.37 0.01 0.00 -0.81 0.00 0.00 59.98 58.46 3gxm h ARG 44 Cb 1.18 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.68 3gxm h ARG 44 CO 0.63 1.02 0.11 0.66 -1.51 0.00 0.00 179.97 180.89 3gxm h SER 45 N 0.81 0.00 0.00 -3.80 4.64 -1.89 -3.42 113.55 109.88 3gxm h SER 45 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 3gxm h SER 45 Cb 0.73 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 3gxm h SER 45 CO 0.06 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.63 3gxm n GLY 46 N -1.16 0.32 3.76 -0.77 0.00 -0.82 -5.02 105.19 101.50 3gxm n GLY 46 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 3gxm n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gxm s ARG 47 N 0.00 4.60 -0.29 1.61 0.52 -1.20 -4.85 118.95 119.33 3gxm s ARG 47 Ca 0.00 1.79 0.01 0.00 -0.52 0.00 0.00 55.73 57.01 3gxm s ARG 47 Cb 0.00 -3.14 0.09 0.00 0.52 0.00 0.00 34.95 32.42 3gxm s ARG 47 CO 0.00 0.18 0.04 1.03 0.02 0.00 0.00 175.30 176.57 3gxm s ARG 48 N -1.53 1.15 -1.18 3.54 1.81 -1.25 -1.01 118.95 120.48 3gxm s ARG 48 Ca 0.45 -1.25 -0.07 0.00 -1.72 0.00 0.00 55.73 53.14 3gxm s ARG 48 Cb -0.31 -2.49 0.01 0.00 -0.45 0.00 0.00 34.95 31.71 3gxm s ARG 48 CO 0.40 -0.86 0.14 -1.33 -0.68 0.00 0.00 175.30 172.97 3gxm n MET 49 N 4.64 -0.80 -2.92 3.54 2.81 -0.39 -4.88 117.12 119.11 3gxm n MET 49 Ca -0.03 0.04 -0.40 0.00 -1.81 0.00 0.00 57.70 55.50 3gxm n MET 49 Cb 0.43 -2.61 -0.05 0.00 -0.71 0.00 0.00 33.22 30.28 3gxm n MET 49 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 3gxm s GLU 50 N -6.66 4.56 -0.08 0.03 2.12 0.08 -4.59 118.70 114.16 3gxm s GLU 50 Ca 0.10 1.17 -0.16 0.00 0.36 0.00 0.00 54.97 56.45 3gxm s GLU 50 Cb -0.06 -3.35 -0.05 0.00 0.26 0.00 0.00 34.13 30.94 3gxm s GLU 50 CO 0.80 0.32 0.41 -1.17 -0.54 0.00 0.00 175.26 175.08 3gxm s LEU 51 N -0.24 4.35 0.37 2.70 2.96 -1.26 -0.88 118.68 126.68 3gxm s LEU 51 Ca 0.40 0.81 0.04 0.00 -0.22 0.00 0.00 54.13 55.16 3gxm s LEU 51 Cb -0.22 -2.58 -0.03 0.00 0.50 0.00 0.00 46.19 43.86 3gxm s LEU 51 CO 0.25 0.16 0.14 -0.94 -1.32 0.00 0.00 176.35 174.64 3gxm s SER 52 N -0.14 2.40 0.02 3.68 1.04 -0.46 -5.01 113.70 115.23 3gxm s SER 52 Ca 0.23 -1.62 0.00 0.00 0.48 0.00 0.00 55.95 55.05 3gxm s SER 52 Cb -0.15 0.41 -0.02 0.00 0.10 0.00 0.00 66.02 66.36 3gxm s SER 52 CO 0.10 -0.89 -0.03 -0.32 0.98 0.00 0.00 173.24 173.08 3gxm s MET 53 N -3.74 0.27 0.30 4.02 1.75 -1.26 -0.97 119.30 119.66 3gxm s MET 53 Ca 0.29 -0.47 0.01 0.00 -1.25 0.00 0.00 55.69 54.27 3gxm s MET 53 Cb 0.04 0.01 -0.02 0.00 2.84 0.00 0.00 34.83 37.69 3gxm s MET 53 CO 0.16 -0.02 0.31 0.20 -0.65 0.00 0.00 175.02 175.03 3gxm s GLY 54 N -1.07 1.73 0.27 2.11 0.00 -0.52 -4.99 107.32 104.85 3gxm s GLY 54 Ca -0.11 -1.73 -0.24 0.00 0.00 0.00 0.00 44.72 42.64 3gxm s GLY 54 CO -0.01 -1.25 0.85 2.56 0.00 0.00 0.00 173.10 175.25 3gxm s PRO 55 N -3.55 4.48 -0.41 2.90 0.04 -1.26 -1.86 135.00 135.34 3gxm s PRO 55 Ca 0.36 1.16 -0.18 0.00 0.04 0.00 0.00 61.00 62.38 3gxm s PRO 55 Cb 0.02 -2.91 0.02 0.00 0.04 0.00 0.00 34.50 31.67 3gxm s PRO 55 CO 0.20 0.37 0.50 0.42 0.04 0.00 0.00 177.00 178.53 3gxm s ILE 56 N -1.51 5.01 0.40 0.56 1.01 -0.52 -4.53 121.20 121.63 3gxm s ILE 56 Ca 0.46 -0.07 -0.01 0.00 0.00 0.00 0.00 60.65 61.03 3gxm s ILE 56 Cb -0.19 -4.06 -0.03 0.00 0.01 0.00 0.00 42.46 38.20 3gxm s ILE 56 CO 0.24 -0.41 0.64 -1.10 0.00 0.00 0.00 174.94 174.30 3gxm s GLN 57 N 2.37 3.43 0.11 2.79 -0.21 0.46 -4.77 119.66 123.84 3gxm s GLN 57 Ca 0.16 -0.20 0.20 0.00 0.02 0.00 0.00 55.36 55.54 3gxm s GLN 57 Cb -0.16 -2.56 -0.10 0.00 1.00 0.00 0.00 33.01 31.19 3gxm s GLN 57 CO 0.15 -0.03 0.86 0.00 -2.12 0.00 0.00 175.29 174.15 3gxm n ALA 58 N -1.98 2.31 -2.47 6.09 0.00 -1.26 -0.36 120.51 122.84 3gxm n ALA 58 Ca -0.02 -0.42 -0.24 0.00 0.00 0.00 0.00 53.44 52.77 3gxm n ALA 58 Cb 0.56 -0.98 -0.10 0.00 0.00 0.00 0.00 19.45 18.93 3gxm n ALA 58 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3gxm s ASN 59 N -5.41 3.43 -0.19 0.00 -0.87 -1.26 -4.82 114.94 105.82 3gxm s ASN 59 Ca -0.03 -1.08 -0.10 0.00 -1.57 0.00 0.00 52.86 50.07 3gxm s ASN 59 Cb 0.10 -0.28 0.06 0.00 -0.02 0.00 0.00 41.25 41.11 3gxm s ASN 59 CO 0.81 -0.08 0.45 -2.28 -2.57 0.00 0.00 177.10 173.44 3gxm s HIS 60 N -2.64 -0.67 0.12 2.20 5.65 -1.26 -4.82 115.29 113.88 3gxm s HIS 60 Ca 0.30 1.41 0.09 0.00 0.25 0.00 0.00 55.06 57.10 3gxm s HIS 60 Cb -0.02 0.32 -0.04 0.00 -1.18 0.00 0.00 32.58 31.66 3gxm s HIS 60 CO 0.14 -0.37 -0.21 0.95 -0.65 0.00 0.00 174.74 174.60 3gxm s THR 61 N 1.39 1.80 0.00 0.89 -4.23 -1.26 -5.13 115.64 109.11 3gxm s THR 61 Ca -0.09 -1.64 0.00 0.00 -1.18 0.00 0.00 61.69 58.78 3gxm s THR 61 Cb -0.08 -1.66 0.00 0.00 1.34 0.00 0.00 72.50 72.10 3gxm s THR 61 CO -0.13 -0.08 0.00 0.61 -0.54 0.00 0.00 174.62 174.47 3gxm n GLY 62 N 0.93 4.30 2.03 3.99 0.00 -1.26 -4.93 105.19 110.24 3gxm n GLY 62 Ca -0.18 -1.52 -0.09 0.00 0.00 0.00 0.00 46.02 44.23 3gxm n GLY 62 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3gxm n THR 63 N -1.87 2.98 -2.31 2.61 -2.24 -1.26 -4.97 114.28 107.22 3gxm n THR 63 Ca 0.00 -1.71 -0.25 0.00 -2.27 0.00 0.00 64.05 59.82 3gxm n THR 63 Cb 0.00 -0.38 0.07 0.00 -2.10 0.00 0.00 70.33 67.93 3gxm n THR 63 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3gxm s GLY 64 N -1.11 1.73 0.25 3.38 0.00 -1.26 -5.04 107.32 105.27 3gxm s GLY 64 Ca 0.55 -1.09 -0.30 0.00 0.00 0.00 0.00 44.72 43.88 3gxm s GLY 64 CO 0.13 -0.68 1.51 -2.27 0.00 0.00 0.00 173.10 171.79 3gxm s LEU 65 N -5.17 4.37 -0.11 0.66 2.96 -1.26 -4.94 118.68 115.20 3gxm s LEU 65 Ca 0.61 2.75 0.01 0.00 -0.22 0.00 0.00 54.13 57.28 3gxm s LEU 65 Cb -0.10 -3.62 0.02 0.00 0.50 0.00 0.00 46.19 42.99 3gxm s LEU 65 CO 0.44 -0.79 -0.13 -0.22 -1.32 0.00 0.00 176.35 174.34 3gxm s LEU 66 N -0.20 1.57 -0.24 -0.68 2.96 -1.26 -1.47 118.68 119.36 3gxm s LEU 66 Ca 0.62 -0.38 -0.10 0.00 -0.22 0.00 0.00 54.13 54.05 3gxm s LEU 66 Cb -0.44 -0.99 -0.05 0.00 0.50 0.00 0.00 46.19 45.21 3gxm s LEU 66 CO 0.43 -0.02 0.15 -0.76 -1.32 0.00 0.00 176.35 174.83 3gxm s LEU 67 N 1.17 4.07 -0.19 -0.68 1.43 0.56 -1.81 118.68 123.23 3gxm s LEU 67 Ca -0.04 0.09 -0.02 0.00 -1.03 0.00 0.00 54.13 53.13 3gxm s LEU 67 Cb -0.14 -2.09 -0.01 0.00 0.03 0.00 0.00 46.19 43.98 3gxm s LEU 67 CO -0.04 0.06 -0.08 -0.89 0.23 0.00 0.00 176.35 175.63 3gxm s THR 68 N 1.07 3.12 0.14 5.49 2.01 0.33 0.03 115.64 127.83 3gxm s THR 68 Ca 0.07 -0.59 -0.31 0.00 0.31 0.00 0.00 61.69 61.17 3gxm s THR 68 Cb -0.14 -2.38 -0.09 0.00 0.01 0.00 0.00 72.50 69.90 3gxm s THR 68 CO 0.04 0.46 1.47 -0.22 -0.69 0.00 0.00 174.62 175.69 3gxm s LEU 69 N 1.20 4.37 -0.94 4.42 2.96 0.11 -1.01 118.68 129.79 3gxm s LEU 69 Ca 0.02 2.47 -0.03 0.00 -0.22 0.00 0.00 54.13 56.38 3gxm s LEU 69 Cb -0.14 -3.59 0.23 0.00 0.50 0.00 0.00 46.19 43.19 3gxm s LEU 69 CO -0.03 -0.73 0.85 0.00 -1.32 0.00 0.00 176.35 175.12 3gxm n GLN 70 N 3.86 2.80 0.33 1.98 6.02 0.22 -4.66 117.38 127.95 3gxm n GLN 70 Ca 0.12 -4.48 0.22 0.00 -0.01 0.00 0.00 57.00 52.85 3gxm n GLN 70 Cb 0.40 -2.43 1.18 0.00 1.02 0.00 0.00 30.24 30.41 3gxm n GLN 70 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 3gxm h PRO 71 N 6.07 0.00 -0.22 -1.09 0.13 -1.93 -0.55 132.00 134.41 3gxm h PRO 71 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 3gxm h PRO 71 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 3gxm h PRO 71 CO 0.89 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 179.05 3gxm n GLU 72 N -3.16 2.36 -3.14 0.86 -0.58 -1.26 -4.63 120.64 111.09 3gxm n GLU 72 Ca -0.03 -2.09 -0.45 0.00 -0.42 0.00 0.00 57.16 54.17 3gxm n GLU 72 Cb 0.08 -1.48 -0.03 0.00 -0.57 0.00 0.00 31.44 29.44 3gxm n GLU 72 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 3gxm s GLN 73 N -1.67 3.48 -0.18 3.49 -0.21 -0.23 -5.04 119.66 119.31 3gxm s GLN 73 Ca 0.33 -1.96 -0.09 0.00 0.02 0.00 0.00 55.36 53.66 3gxm s GLN 73 Cb 0.21 -4.57 -0.05 0.00 1.00 0.00 0.00 33.01 29.61 3gxm s GLN 73 CO 0.30 -1.52 0.11 0.15 -2.12 0.00 0.00 175.29 172.22 3gxm s LYS 74 N 1.62 3.96 0.00 2.91 1.02 -1.26 -1.13 119.74 126.85 3gxm s LYS 74 Ca 0.22 -0.23 0.00 0.00 0.02 0.00 0.00 55.97 55.97 3gxm s LYS 74 Cb -0.11 -3.31 0.00 0.00 -0.52 0.00 0.00 37.83 33.88 3gxm s LYS 74 CO -0.06 0.41 0.00 1.19 -0.92 0.00 0.00 175.35 175.97 3gxm n PHE 75 N 3.16 0.00 -2.25 3.18 3.01 0.51 -4.99 117.46 120.09 3gxm n PHE 75 Ca -0.17 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 57.90 3gxm n PHE 75 Cb 0.53 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.98 3gxm n PHE 75 CO 0.00 0.00 0.00 1.14 1.01 0.00 0.00 176.76 178.91 3gxm s GLN 76 N 4.60 4.11 0.23 -1.08 0.00 -1.26 -4.68 119.66 121.57 3gxm s GLN 76 Ca 0.00 1.92 -0.22 0.00 -0.00 0.00 0.00 55.36 57.06 3gxm s GLN 76 Cb 0.00 -2.76 -0.08 0.00 0.00 0.00 0.00 33.01 30.16 3gxm s GLN 76 CO 0.00 -0.30 0.77 0.15 0.00 0.00 0.00 175.29 175.92 3gxm s LYS 77 N -2.18 4.37 -0.07 9.60 1.02 -1.26 -0.84 119.74 130.38 3gxm s LYS 77 Ca 0.55 1.01 -0.22 0.00 0.02 0.00 0.00 55.97 57.33 3gxm s LYS 77 Cb -0.33 -2.94 -0.04 0.00 -0.52 0.00 0.00 37.83 34.00 3gxm s LYS 77 CO 0.42 0.41 0.65 0.08 -0.92 0.00 0.00 175.35 175.99 3gxm s VAL 78 N -1.47 5.06 -0.02 3.17 1.01 0.23 -4.70 120.40 123.69 3gxm s VAL 78 Ca 0.43 1.34 -0.18 0.00 0.00 0.00 0.00 61.98 63.56 3gxm s VAL 78 Cb -0.18 -3.99 -0.33 0.00 0.00 0.00 0.00 36.38 31.88 3gxm s VAL 78 CO 0.22 0.28 0.89 0.50 0.00 0.00 0.00 175.10 176.99 3gxm h LYS 79 N 6.66 0.40 0.00 2.72 1.63 0.77 0.56 116.57 129.32 3gxm h LYS 79 Ca -0.41 -0.68 0.00 0.00 -0.85 0.00 0.00 60.65 58.70 3gxm h LYS 79 Cb 1.19 0.25 0.00 0.00 -0.60 0.00 0.00 32.23 33.08 3gxm h LYS 79 CO 0.75 1.33 0.00 0.41 -3.45 0.00 0.00 179.45 178.49 3gxm n GLY 80 N 1.71 0.68 3.10 5.01 0.00 -1.20 -4.51 105.19 109.98 3gxm n GLY 80 Ca -0.17 -1.78 -0.11 0.00 0.00 0.00 0.00 46.02 43.95 3gxm n GLY 80 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gxm s PHE 81 N -2.53 0.03 -0.22 1.61 0.40 -1.26 -1.78 117.98 114.23 3gxm s PHE 81 Ca 0.00 -0.09 0.00 0.00 -0.60 0.00 0.00 56.93 56.24 3gxm s PHE 81 Cb 0.00 -0.04 0.00 0.00 0.51 0.00 0.00 43.02 43.49 3gxm s PHE 81 CO 0.00 -0.27 0.00 0.41 0.70 0.00 0.00 175.22 176.06 3gxm n GLY 82 N 1.59 -0.78 1.42 4.36 0.00 -1.01 -0.76 105.19 110.02 3gxm n GLY 82 Ca -0.22 -0.31 -0.04 0.00 0.00 0.00 0.00 46.02 45.46 3gxm n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gxm n GLY 83 N 0.00 1.70 3.79 -0.02 0.00 -1.18 -0.05 105.19 109.43 3gxm n GLY 83 Ca 0.00 -1.14 -0.36 0.00 0.00 0.00 0.00 46.02 44.52 3gxm n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gxm s ALA 84 N -1.47 3.77 -1.24 4.61 0.00 -0.49 -2.02 121.76 124.92 3gxm s ALA 84 Ca 0.06 -0.66 -0.13 0.00 0.00 0.00 0.00 51.96 51.24 3gxm s ALA 84 Cb -0.02 -2.10 0.16 0.00 0.00 0.00 0.00 23.12 21.17 3gxm s ALA 84 CO 0.05 0.35 1.60 -0.12 0.00 0.00 0.00 175.76 177.64 3gxm n MET 85 N 2.86 3.42 -1.82 0.00 1.56 -0.02 -1.98 117.12 121.14 3gxm n MET 85 Ca -0.18 -3.69 -0.30 0.00 -0.27 0.00 0.00 57.70 53.27 3gxm n MET 85 Cb 0.53 -3.05 0.07 0.00 2.15 0.00 0.00 33.22 32.92 3gxm n MET 85 CO 0.00 0.00 0.00 0.95 -0.73 0.00 0.00 175.97 176.19 3gxm s THR 86 N 1.45 2.99 0.18 1.12 -4.23 -1.26 -4.38 115.64 111.51 3gxm s THR 86 Ca 0.43 0.32 -0.19 0.00 -1.18 0.00 0.00 61.69 61.07 3gxm s THR 86 Cb 0.02 -3.26 0.11 0.00 1.34 0.00 0.00 72.50 70.70 3gxm s THR 86 CO 0.01 -0.42 1.62 0.44 -0.54 0.00 0.00 174.62 175.73 3gxm h ASP 87 N -0.86 -0.79 -0.32 3.99 3.32 -1.89 -0.54 116.42 119.33 3gxm h ASP 87 Ca -0.46 0.17 0.05 0.00 0.02 0.00 0.00 57.03 56.81 3gxm h ASP 87 Cb 1.28 0.41 -0.05 0.00 0.22 0.00 0.00 39.33 41.19 3gxm h ASP 87 CO 0.64 -0.25 0.03 0.00 -1.72 0.00 0.00 179.24 177.93 3gxm h ALA 88 N 1.10 0.31 -0.56 3.45 0.00 -1.46 -0.24 119.26 121.86 3gxm h ALA 88 Ca 0.21 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 3gxm h ALA 88 Cb 0.47 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 3gxm h ALA 88 CO -0.52 -0.38 0.25 0.00 0.00 0.00 0.00 179.25 178.60 3gxm h ALA 89 N 1.26 0.72 -0.49 0.00 0.00 -1.51 -1.75 119.26 117.48 3gxm h ALA 89 Ca 0.15 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.94 3gxm h ALA 89 Cb 0.19 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3gxm h ALA 89 CO -0.23 0.30 0.31 0.00 0.00 0.00 0.00 179.25 179.64 3gxm h ALA 90 N 1.09 0.63 -0.79 0.00 0.00 -0.70 -2.47 119.26 117.03 3gxm h ALA 90 Ca 0.19 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 3gxm h ALA 90 Cb 0.14 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 3gxm h ALA 90 CO -0.02 0.04 0.34 1.25 0.00 0.00 0.00 179.25 180.86 3gxm h LEU 91 N 0.64 1.06 -0.20 0.00 5.85 -0.67 -2.64 115.31 119.34 3gxm h LEU 91 Ca 0.19 -0.15 -0.07 0.00 0.84 0.00 0.00 57.88 58.69 3gxm h LEU 91 Cb -0.04 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 40.72 3gxm h LEU 91 CO -0.06 0.92 -0.15 0.78 -0.34 0.00 0.00 178.44 179.58 3gxm h ASN 92 N 1.13 0.48 0.30 1.25 2.35 -1.21 -2.30 115.58 117.58 3gxm h ASN 92 Ca 0.27 -0.45 -0.16 0.00 -0.55 0.00 0.00 56.30 55.40 3gxm h ASN 92 Cb 0.17 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 3gxm h ASN 92 CO -0.03 0.83 -0.65 0.16 -1.65 0.00 0.00 177.43 176.10 3gxm h ILE 93 N 0.13 1.38 0.00 2.81 3.07 -1.39 -2.36 117.51 121.15 3gxm h ILE 93 Ca 0.04 -2.03 0.00 0.00 1.55 0.00 0.00 64.86 64.41 3gxm h ILE 93 Cb 0.68 2.03 0.00 0.00 -0.27 0.00 0.00 36.82 39.25 3gxm h ILE 93 CO 0.04 0.61 0.00 0.18 -1.05 0.00 0.00 178.15 177.93 3gxm n LEU 94 N -3.86 0.00 0.20 0.16 4.77 -1.00 -2.26 117.00 115.00 3gxm n LEU 94 Ca -0.03 0.48 0.12 0.00 -0.03 0.00 0.00 56.01 56.56 3gxm n LEU 94 Cb 0.65 -0.48 0.23 0.00 -2.33 0.00 0.00 43.42 41.49 3gxm n LEU 94 CO 0.46 -0.06 0.83 0.00 -1.33 0.00 0.00 177.39 177.29 3gxm h ALA 95 N 2.91 1.00 -2.45 -1.18 0.00 -0.86 -3.45 119.26 115.23 3gxm h ALA 95 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.40 3gxm h ALA 95 Cb 0.43 0.00 0.11 0.00 0.00 0.00 0.00 17.79 18.33 3gxm h ALA 95 CO 0.00 0.00 0.36 -0.51 0.00 0.00 0.00 179.25 179.10 3gxm s LEU 96 N -5.88 3.32 0.64 0.00 1.43 -0.96 -4.98 118.68 112.25 3gxm s LEU 96 Ca 0.07 2.01 -0.17 0.00 -1.03 0.00 0.00 54.13 55.01 3gxm s LEU 96 Cb 0.07 -4.55 -0.01 0.00 0.03 0.00 0.00 46.19 41.72 3gxm s LEU 96 CO 0.65 -1.78 1.20 -0.94 0.23 0.00 0.00 176.35 175.71 3gxm s SER 97 N -2.65 4.88 0.43 2.29 1.04 -1.26 -4.71 113.70 113.71 3gxm s SER 97 Ca 0.67 2.34 0.20 0.00 0.48 0.00 0.00 55.95 59.64 3gxm s SER 97 Cb -0.21 -2.59 1.16 0.00 0.10 0.00 0.00 66.02 64.48 3gxm s SER 97 CO 0.44 -1.80 1.81 -0.65 0.98 0.00 0.00 173.24 174.02 3gxm h PRO 98 N 0.44 0.33 -0.18 4.02 0.11 -1.94 -1.41 132.00 133.38 3gxm h PRO 98 Ca -0.49 -0.02 -0.16 0.00 0.11 0.00 0.00 66.00 65.44 3gxm h PRO 98 Cb 1.29 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 3gxm h PRO 98 CO 0.53 0.22 -0.56 -1.35 -0.21 0.00 0.00 178.00 176.63 3gxm h PRO 99 N 0.34 0.54 -0.19 1.05 0.11 -1.92 -3.01 132.00 128.92 3gxm h PRO 99 Ca 0.54 -0.34 -0.01 0.00 0.11 0.00 0.00 66.00 66.29 3gxm h PRO 99 Cb 1.46 0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.60 3gxm h PRO 99 CO -0.21 0.95 0.07 0.00 -0.21 0.00 0.00 178.00 178.61 3gxm h ALA 100 N 0.98 0.25 -0.53 -0.75 0.00 -1.46 -1.48 119.26 116.27 3gxm h ALA 100 Ca 0.01 -0.11 0.11 0.00 0.00 0.00 0.00 54.91 54.91 3gxm h ALA 100 Cb 1.10 -0.08 -0.11 0.00 0.00 0.00 0.00 17.79 18.71 3gxm h ALA 100 CO 0.10 -0.15 -0.20 1.96 0.00 0.00 0.00 179.25 180.97 3gxm h GLN 101 N 0.15 -0.07 -0.73 0.00 4.20 -1.39 0.78 115.11 118.06 3gxm h GLN 101 Ca 0.06 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.81 3gxm h GLN 101 Cb 0.19 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.94 3gxm h GLN 101 CO -0.00 -0.05 0.46 -0.91 -0.67 0.00 0.00 178.83 177.66 3gxm h ASN 102 N -0.07 0.76 -0.89 1.46 2.35 -1.45 0.23 115.58 117.96 3gxm h ASN 102 Ca 0.25 -0.00 0.01 0.00 -0.55 0.00 0.00 56.30 56.00 3gxm h ASN 102 Cb 0.46 -0.17 -0.04 0.00 0.05 0.00 0.00 38.32 38.62 3gxm h ASN 102 CO -0.58 0.53 0.58 -0.07 -1.65 0.00 0.00 177.43 176.24 3gxm h LEU 103 N 0.91 1.04 -0.24 1.61 3.38 -0.13 -0.52 115.31 121.35 3gxm h LEU 103 Ca 0.29 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 3gxm h LEU 103 Cb 0.00 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 3gxm h LEU 103 CO -0.10 0.76 0.10 0.25 0.09 0.00 0.00 178.44 179.54 3gxm h LEU 104 N 1.21 0.33 -1.21 1.67 6.46 -0.50 -1.97 115.31 121.30 3gxm h LEU 104 Ca 0.33 -0.15 -0.07 0.00 -0.12 0.00 0.00 57.88 57.86 3gxm h LEU 104 Cb -0.12 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 39.72 3gxm h LEU 104 CO -0.07 0.39 -0.26 -0.07 -0.62 0.00 0.00 178.44 177.81 3gxm h LEU 105 N 0.24 0.21 -0.74 2.25 3.38 -0.36 -2.73 115.31 117.56 3gxm h LEU 105 Ca 0.08 -0.06 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 3gxm h LEU 105 Cb 0.16 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3gxm h LEU 105 CO -0.01 0.48 -0.03 0.11 0.09 0.00 0.00 178.44 179.08 3gxm h LYS 106 N 0.19 0.92 -0.97 1.13 1.57 -0.97 -0.85 116.57 117.60 3gxm h LYS 106 Ca 0.03 -0.29 0.20 0.00 -1.87 0.00 0.00 60.65 58.72 3gxm h LYS 106 Cb 0.57 -0.09 -0.09 0.00 0.08 0.00 0.00 32.23 32.71 3gxm h LYS 106 CO 0.04 0.94 0.62 0.77 -0.57 0.00 0.00 179.45 181.24 3gxm h SER 107 N 0.85 0.61 0.01 0.86 0.02 -1.03 -2.33 113.55 112.54 3gxm h SER 107 Ca 0.15 0.07 -0.39 0.00 -0.84 0.00 0.00 61.79 60.79 3gxm h SER 107 Cb 0.55 -0.04 -0.07 0.00 0.14 0.00 0.00 62.40 62.98 3gxm h SER 107 CO 0.03 0.22 -2.44 -1.22 -1.14 0.00 0.00 176.83 172.29 3gxm n TYR 108 N -4.65 0.12 -0.03 3.45 0.53 -1.12 -0.86 117.16 114.61 3gxm n TYR 108 Ca 0.22 0.02 0.03 0.00 -1.02 0.00 0.00 57.90 57.16 3gxm n TYR 108 Cb 0.64 -1.02 -0.12 0.00 -1.03 0.00 0.00 39.34 37.82 3gxm n TYR 108 CO 0.00 0.00 0.00 1.19 -1.02 0.00 0.00 176.86 177.03 3gxm n PHE 109 N -3.28 0.00 -2.54 -0.72 3.01 -0.34 0.61 117.46 114.21 3gxm n PHE 109 Ca -0.45 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 57.75 3gxm n PHE 109 Cb 1.00 -0.47 0.01 0.00 -0.01 0.00 0.00 39.48 40.01 3gxm n PHE 109 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 3gxm s SER 110 N -4.12 5.93 0.58 4.37 0.15 -0.88 -3.91 113.70 115.81 3gxm s SER 110 Ca -0.06 0.80 0.35 0.00 0.70 0.00 0.00 55.95 57.74 3gxm s SER 110 Cb 0.08 -1.96 1.70 0.00 -1.71 0.00 0.00 66.02 64.14 3gxm s SER 110 CO 0.64 -0.81 2.12 1.05 1.20 0.00 0.00 173.24 177.44 3gxm h GLU 111 N 0.04 0.00 -0.24 5.44 4.11 -1.86 -1.84 114.58 120.24 3gxm h GLU 111 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.97 3gxm h GLU 111 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 3gxm h GLU 111 CO 0.61 0.04 0.00 0.39 0.07 0.00 0.00 179.01 180.12 3gxm n GLU 112 N -3.23 1.71 0.00 1.06 1.02 -1.26 -4.69 120.64 115.25 3gxm n GLU 112 Ca -0.01 -1.09 0.00 0.00 -0.02 0.00 0.00 57.16 56.04 3gxm n GLU 112 Cb 0.22 -1.32 0.00 0.00 -0.02 0.00 0.00 31.44 30.32 3gxm n GLU 112 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gxm n GLY 113 N 1.06 3.68 0.77 0.62 0.00 -0.71 -1.82 105.19 108.78 3gxm n GLY 113 Ca 0.13 -0.57 0.08 0.00 0.00 0.00 0.00 46.02 45.67 3gxm n GLY 113 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3gxm n ILE 114 N 0.00 2.10 -3.89 -0.61 -5.35 -0.04 -4.90 119.36 106.67 3gxm n ILE 114 Ca 0.00 -1.82 -0.26 0.00 -0.27 0.00 0.00 62.75 60.39 3gxm n ILE 114 Cb 0.00 -0.17 0.01 0.00 -1.74 0.00 0.00 39.64 37.74 3gxm n ILE 114 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3gxm n GLY 115 N -0.51 -0.33 3.75 3.28 0.00 -1.07 -2.86 105.19 107.45 3gxm n GLY 115 Ca 0.19 0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.95 3gxm n GLY 115 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gxm s TYR 116 N -3.65 2.77 -0.05 1.61 4.12 0.20 -4.72 117.35 117.62 3gxm s TYR 116 Ca 0.23 0.79 0.07 0.00 0.02 0.00 0.00 57.07 58.18 3gxm s TYR 116 Cb -0.12 -4.06 0.11 0.00 -1.52 0.00 0.00 41.96 36.38 3gxm s TYR 116 CO 0.86 -3.54 1.03 0.27 0.02 0.00 0.00 175.55 174.19 3gxm n ASN 117 N 2.18 0.98 -3.95 2.29 6.94 0.06 -4.75 115.26 119.01 3gxm n ASN 117 Ca 0.08 -2.37 -0.19 0.00 -0.02 0.00 0.00 54.58 52.08 3gxm n ASN 117 Cb 0.38 -0.27 -0.16 0.00 -2.36 0.00 0.00 39.78 37.37 3gxm n ASN 117 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3gxm s ILE 118 N -1.14 0.62 -0.08 1.53 -1.09 -0.88 -0.84 121.20 119.32 3gxm s ILE 118 Ca 0.12 -0.25 -0.01 0.00 -2.23 0.00 0.00 60.65 58.29 3gxm s ILE 118 Cb 0.11 -0.58 0.03 0.00 -1.58 0.00 0.00 42.46 40.44 3gxm s ILE 118 CO 0.01 0.21 -0.03 -0.63 -1.23 0.00 0.00 174.94 173.27 3gxm s ILE 119 N 0.39 0.60 -0.12 2.92 1.01 -0.68 -3.12 121.20 122.19 3gxm s ILE 119 Ca -0.05 -0.04 -0.20 0.00 0.00 0.00 0.00 60.65 60.37 3gxm s ILE 119 Cb -0.09 -0.70 -0.04 0.00 0.01 0.00 0.00 42.46 41.64 3gxm s ILE 119 CO 0.00 0.29 0.54 -0.60 0.00 0.00 0.00 174.94 175.18 3gxm s ARG 120 N 1.75 4.34 -0.23 2.79 3.52 -0.85 -1.07 118.95 129.19 3gxm s ARG 120 Ca 0.03 0.56 0.02 0.00 -0.13 0.00 0.00 55.73 56.21 3gxm s ARG 120 Cb -0.13 -3.46 0.05 0.00 -1.56 0.00 0.00 34.95 29.85 3gxm s ARG 120 CO -0.05 0.07 -0.12 0.08 -0.81 0.00 0.00 175.30 174.46 3gxm s VAL 121 N 0.88 2.04 0.27 7.11 1.01 0.12 -0.84 120.40 130.99 3gxm s VAL 121 Ca 0.29 -1.39 -0.30 0.00 0.00 0.00 0.00 61.98 60.58 3gxm s VAL 121 Cb -0.16 -2.09 -0.11 0.00 0.00 0.00 0.00 36.38 34.03 3gxm s VAL 121 CO 0.12 0.11 1.51 -2.84 0.00 0.00 0.00 175.10 174.00 3gxm s PRO 122 N 1.20 4.20 -0.75 2.72 0.02 -1.26 -2.58 135.00 138.55 3gxm s PRO 122 Ca -0.05 2.43 -0.25 0.00 0.02 0.00 0.00 61.00 63.15 3gxm s PRO 122 Cb -0.18 -3.07 0.05 0.00 0.02 0.00 0.00 34.50 31.32 3gxm s PRO 122 CO -0.07 -0.52 1.20 -1.64 -0.33 0.00 0.00 177.00 175.65 3gxm s MET 123 N -0.46 3.22 5.27 5.54 -1.94 0.05 -4.84 119.30 126.14 3gxm s MET 123 Ca 0.61 -0.54 0.00 0.00 -1.71 0.00 0.00 55.69 54.05 3gxm s MET 123 Cb -0.45 -4.33 0.00 0.00 2.01 0.00 0.00 34.83 32.06 3gxm s MET 123 CO 0.46 -2.05 0.00 0.00 -0.01 0.00 0.00 175.02 173.42 3gxm n ALA 124 N 8.77 0.00 -2.34 3.03 0.00 -1.26 -4.06 120.51 124.65 3gxm n ALA 124 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.20 3gxm n ALA 124 Cb 0.48 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.91 3gxm n ALA 124 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3gxm s SER 125 N -4.00 6.44 0.00 0.00 1.04 -1.23 -4.95 113.70 111.01 3gxm s SER 125 Ca 0.00 0.92 0.00 0.00 0.48 0.00 0.00 55.95 57.35 3gxm s SER 125 Cb 0.00 -2.23 0.00 0.00 0.10 0.00 0.00 66.02 63.89 3gxm s SER 125 CO 0.00 -0.35 0.00 0.00 0.98 0.00 0.00 173.24 173.87 3gxm h ASP 127 N 0.00 0.21 -0.71 0.00 2.03 -1.96 -3.15 116.42 112.86 3gxm h ASP 127 Ca 0.00 -0.00 -0.56 0.00 -0.73 0.00 0.00 57.03 55.73 3gxm h ASP 127 Cb 0.00 -0.05 -0.10 0.00 -0.83 0.00 0.00 39.33 38.35 3gxm h ASP 127 CO 0.00 0.15 1.64 0.49 -1.03 0.00 0.00 179.24 180.49 3gxm n PHE 128 N -4.49 1.83 -4.02 4.15 3.01 -1.26 -1.44 117.46 115.24 3gxm n PHE 128 Ca 0.03 -2.40 -0.09 0.00 1.01 0.00 0.00 57.45 56.00 3gxm n PHE 128 Cb 0.20 -1.79 -0.08 0.00 -0.01 0.00 0.00 39.48 37.79 3gxm n PHE 128 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 3gxm s SER 129 N 1.00 0.18 0.00 4.37 0.01 -1.19 -1.27 113.70 116.80 3gxm s SER 129 Ca 0.61 -0.97 0.17 0.00 1.31 0.00 0.00 55.95 57.07 3gxm s SER 129 Cb 0.26 0.36 0.34 0.00 0.21 0.00 0.00 66.02 67.19 3gxm s SER 129 CO -0.11 -0.79 1.26 2.30 0.41 0.00 0.00 173.24 176.31 3gxm n ILE 130 N -0.13 0.58 -3.86 1.44 -5.35 -1.26 -2.56 119.36 108.22 3gxm n ILE 130 Ca -0.08 -0.79 -0.07 0.00 -0.27 0.00 0.00 62.75 61.54 3gxm n ILE 130 Cb 0.63 0.87 -0.02 0.00 -1.74 0.00 0.00 39.64 39.38 3gxm n ILE 130 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3gxm s ARG 131 N -1.20 1.83 -0.17 6.28 1.70 -1.26 -4.94 118.95 121.19 3gxm s ARG 131 Ca 0.30 -1.07 -0.03 0.00 -0.47 0.00 0.00 55.73 54.47 3gxm s ARG 131 Cb 0.17 0.60 -0.02 0.00 -0.57 0.00 0.00 34.95 35.14 3gxm s ARG 131 CO 0.24 -0.84 -0.06 0.95 -1.08 0.00 0.00 175.30 174.51 3gxm s THR 132 N -3.73 3.59 0.12 4.99 -4.23 -1.26 -4.78 115.64 110.35 3gxm s THR 132 Ca 0.12 -0.46 -0.16 0.00 -1.18 0.00 0.00 61.69 60.02 3gxm s THR 132 Cb -0.06 -2.57 0.03 0.00 1.34 0.00 0.00 72.50 71.24 3gxm s THR 132 CO 0.08 0.48 0.39 -0.72 -0.54 0.00 0.00 174.62 174.31 3gxm s TYR 133 N 0.63 -0.18 0.46 3.99 -0.85 -1.26 -5.09 117.35 115.04 3gxm s TYR 133 Ca -0.04 -0.13 0.03 0.00 -0.52 0.00 0.00 57.07 56.42 3gxm s TYR 133 Cb -0.15 0.24 -0.02 0.00 0.38 0.00 0.00 41.96 42.41 3gxm s TYR 133 CO 0.03 -0.68 0.08 0.95 -1.52 0.00 0.00 175.55 174.40 3gxm s THR 134 N -3.73 0.82 -0.77 -3.49 -4.23 -1.26 -3.50 115.64 99.48 3gxm s THR 134 Ca 0.03 -2.00 0.24 0.00 -1.18 0.00 0.00 61.69 58.78 3gxm s THR 134 Cb 0.02 -2.26 0.24 0.00 1.34 0.00 0.00 72.50 71.84 3gxm s THR 134 CO -0.11 0.00 1.74 -1.22 -0.54 0.00 0.00 174.62 174.48 3gxm n TYR 135 N -1.07 0.52 -3.19 3.99 4.02 -1.26 -4.40 117.16 115.76 3gxm n TYR 135 Ca -0.12 0.17 -0.23 0.00 -0.01 0.00 0.00 57.90 57.71 3gxm n TYR 135 Cb 0.66 -0.78 -0.07 0.00 -0.02 0.00 0.00 39.34 39.13 3gxm n TYR 135 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3gxm n ALA 136 N -1.67 2.37 1.55 -0.72 0.00 -1.26 -1.36 120.51 119.42 3gxm n ALA 136 Ca 0.05 -3.39 0.14 0.00 0.00 0.00 0.00 53.44 50.24 3gxm n ALA 136 Cb 0.31 -0.82 0.60 0.00 0.00 0.00 0.00 19.45 19.54 3gxm n ALA 136 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3gxm n ASP 137 N 1.29 0.96 -4.64 0.00 8.00 -1.26 -4.68 116.55 116.22 3gxm n ASP 137 Ca 0.21 -1.16 -0.43 0.00 0.71 0.00 0.00 54.79 54.13 3gxm n ASP 137 Cb 0.54 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.62 3gxm n ASP 137 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3gxm s THR 138 N -2.15 3.48 0.12 -3.53 2.01 -1.26 -4.95 115.64 109.37 3gxm s THR 138 Ca 0.37 0.55 -0.34 0.00 0.31 0.00 0.00 61.69 62.58 3gxm s THR 138 Cb 0.21 -3.45 -0.14 0.00 0.01 0.00 0.00 72.50 69.13 3gxm s THR 138 CO 0.39 -0.15 1.62 -2.65 -0.69 0.00 0.00 174.62 173.14 3gxm n PRO 139 N 7.63 2.16 -1.97 4.92 -0.02 -1.26 -2.99 135.00 143.47 3gxm n PRO 139 Ca 0.20 0.78 -0.09 0.00 -2.02 0.00 0.00 63.50 62.37 3gxm n PRO 139 Cb 0.44 -2.56 -0.01 0.00 -0.02 0.00 0.00 33.50 31.34 3gxm n PRO 139 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3gxm n ASP 140 N 3.90 -3.43 -3.70 2.55 8.00 -1.26 -4.95 116.55 117.67 3gxm n ASP 140 Ca 0.18 0.05 -0.42 0.00 0.71 0.00 0.00 54.79 55.31 3gxm n ASP 140 Cb 0.29 -2.49 -0.00 0.00 -0.02 0.00 0.00 41.12 38.90 3gxm n ASP 140 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3gxm n ASP 141 N 0.26 5.75 0.25 -2.24 2.03 -1.16 -4.80 116.55 116.65 3gxm n ASP 141 Ca -0.11 -3.00 0.09 0.00 0.52 0.00 0.00 54.79 52.29 3gxm n ASP 141 Cb 0.52 -1.50 0.64 0.00 -0.72 0.00 0.00 41.12 40.05 3gxm n ASP 141 CO 0.00 0.00 0.00 -0.26 -1.92 0.00 0.00 177.20 175.02 3gxm h PHE 142 N 5.50 0.00 0.00 -0.67 -1.00 -1.92 0.44 116.94 119.30 3gxm h PHE 142 Ca 0.54 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.32 3gxm h PHE 142 Cb 0.53 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.09 3gxm h PHE 142 CO 1.43 0.09 0.00 1.04 -1.61 0.00 0.00 178.31 179.26 3gxm n GLN 143 N -4.23 0.44 -4.10 1.51 1.13 -1.26 -4.84 117.38 106.03 3gxm n GLN 143 Ca -0.03 0.04 -0.34 0.00 -1.94 0.00 0.00 57.00 54.74 3gxm n GLN 143 Cb 0.17 -1.50 -0.01 0.00 0.11 0.00 0.00 30.24 29.01 3gxm n GLN 143 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3gxm n LEU 144 N -1.23 -1.92 -0.12 1.08 4.77 0.15 -4.90 117.00 114.84 3gxm n LEU 144 Ca 0.13 -0.92 -0.04 0.00 -0.03 0.00 0.00 56.01 55.16 3gxm n LEU 144 Cb 0.17 -2.21 0.17 0.00 -2.33 0.00 0.00 43.42 39.22 3gxm n LEU 144 CO 0.18 0.33 0.92 -0.74 -1.33 0.00 0.00 177.39 176.75 3gxm h HIS 145 N -1.63 0.85 -0.43 -1.77 2.76 -1.92 -2.57 115.15 110.44 3gxm h HIS 145 Ca -0.58 -0.10 -0.04 0.00 -2.20 0.00 0.00 60.37 57.45 3gxm h HIS 145 Cb 1.38 -0.24 -0.02 0.00 1.55 0.00 0.00 27.41 30.07 3gxm h HIS 145 CO 0.62 0.75 0.05 0.09 -1.30 0.00 0.00 177.93 178.15 3gxm n ASN 146 N -4.24 4.17 -4.71 3.26 3.02 -1.26 -4.94 115.26 110.56 3gxm n ASN 146 Ca 0.03 -2.69 -0.42 0.00 -0.03 0.00 0.00 54.58 51.47 3gxm n ASN 146 Cb 0.27 -0.64 -0.03 0.00 -0.61 0.00 0.00 39.78 38.77 3gxm n ASN 146 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3gxm s PHE 147 N -2.21 2.70 0.08 3.10 5.36 -0.97 -4.63 117.98 121.41 3gxm s PHE 147 Ca 0.38 0.35 -0.21 0.00 -0.96 0.00 0.00 56.93 56.48 3gxm s PHE 147 Cb 0.29 -4.05 0.05 0.00 -0.34 0.00 0.00 43.02 38.97 3gxm s PHE 147 CO 0.10 -4.07 0.51 -1.54 -1.46 0.00 0.00 175.22 168.76 3gxm s SER 148 N 1.73 -0.43 -0.15 6.13 1.04 -0.46 -5.03 113.70 116.53 3gxm s SER 148 Ca 0.74 0.05 -0.21 0.00 0.48 0.00 0.00 55.95 57.01 3gxm s SER 148 Cb -0.45 0.51 -0.03 0.00 0.10 0.00 0.00 66.02 66.15 3gxm s SER 148 CO 0.33 -0.80 0.61 -0.76 0.98 0.00 0.00 173.24 173.60 3gxm s LEU 149 N -2.29 4.21 1.03 2.42 1.43 -1.26 -4.51 118.68 119.71 3gxm s LEU 149 Ca -0.02 0.90 -0.14 0.00 -1.03 0.00 0.00 54.13 53.83 3gxm s LEU 149 Cb -0.00 -2.88 0.21 0.00 0.03 0.00 0.00 46.19 43.55 3gxm s LEU 149 CO -0.06 -0.18 1.12 -2.16 0.23 0.00 0.00 176.35 175.31 3gxm s PRO 150 N 1.38 0.13 0.43 1.29 0.04 -1.26 -4.72 135.00 132.29 3gxm s PRO 150 Ca 0.30 0.23 0.18 0.00 0.04 0.00 0.00 61.00 61.75 3gxm s PRO 150 Cb -0.16 -1.73 1.10 0.00 0.04 0.00 0.00 34.50 33.75 3gxm s PRO 150 CO 0.12 -2.87 1.86 0.93 0.04 0.00 0.00 177.00 177.09 3gxm h GLU 151 N -1.98 0.37 -0.78 4.56 5.08 -1.98 -1.12 114.58 118.74 3gxm h GLU 151 Ca -0.51 -0.02 0.18 0.00 -1.00 0.00 0.00 59.36 58.01 3gxm h GLU 151 Cb 1.32 -0.08 -0.12 0.00 0.50 0.00 0.00 28.75 30.36 3gxm h GLU 151 CO 0.51 0.25 0.18 0.93 -1.00 0.00 0.00 179.01 179.88 3gxm h GLU 152 N 0.39 0.24 0.34 2.33 3.07 -1.96 1.21 114.58 120.20 3gxm h GLU 152 Ca 0.46 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 59.28 3gxm h GLU 152 Cb 1.16 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 29.02 3gxm h GLU 152 CO -0.16 0.16 -0.16 -0.44 -1.40 0.00 0.00 179.01 177.00 3gxm h ASP 153 N 0.25 -0.39 1.32 1.42 3.32 -1.58 -1.05 116.42 119.72 3gxm h ASP 153 Ca 0.45 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.49 3gxm h ASP 153 Cb 0.81 0.10 -0.00 0.00 0.22 0.00 0.00 39.33 40.46 3gxm h ASP 153 CO -0.56 0.03 -0.11 0.71 -1.72 0.00 0.00 179.24 177.60 3gxm h THR 154 N -1.08 0.23 0.00 0.35 1.35 -0.85 0.12 112.91 113.02 3gxm h THR 154 Ca -0.05 -0.98 -0.31 0.00 -0.55 0.00 0.00 66.41 64.52 3gxm h THR 154 Cb 0.35 1.81 -0.06 0.00 -1.73 0.00 0.00 68.15 68.52 3gxm h THR 154 CO 0.08 0.11 -2.25 0.29 -0.25 0.00 0.00 175.52 173.50 3gxm n LYS 155 N -3.18 0.94 0.00 4.72 4.76 0.41 -4.55 118.16 121.27 3gxm n LYS 155 Ca 0.02 -0.02 -0.03 0.00 -2.87 0.00 0.00 58.31 55.40 3gxm n LYS 155 Cb 0.44 -1.48 -0.01 0.00 -1.84 0.00 0.00 35.03 32.15 3gxm n LYS 155 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3gxm n LEU 156 N -2.65 1.12 0.14 -0.35 4.77 -1.17 -4.67 117.00 114.19 3gxm n LEU 156 Ca -0.28 0.16 -0.09 0.00 -0.03 0.00 0.00 56.01 55.77 3gxm n LEU 156 Cb 1.06 -0.38 -0.05 0.00 -2.33 0.00 0.00 43.42 41.72 3gxm n LEU 156 CO 0.40 -0.45 0.27 0.11 -1.33 0.00 0.00 177.39 176.39 3gxm h LYS 157 N -0.25 -0.41 0.32 3.23 1.57 -0.82 -3.23 116.57 116.98 3gxm h LYS 157 Ca -0.04 0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3gxm h LYS 157 Cb 0.47 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 3gxm h LYS 157 CO -0.03 -0.16 -0.31 0.82 -0.57 0.00 0.00 179.45 179.20 3gxm h ILE 158 N -1.05 0.35 -0.92 1.86 2.04 -1.03 -1.48 117.51 117.27 3gxm h ILE 158 Ca -0.04 0.00 0.23 0.00 1.00 0.00 0.00 64.86 66.05 3gxm h ILE 158 Cb 0.44 0.35 -0.13 0.00 -0.74 0.00 0.00 36.82 36.74 3gxm h ILE 158 CO 0.07 0.00 0.44 -0.65 0.00 0.00 0.00 178.15 178.01 3gxm h PRO 159 N -0.66 0.42 -0.13 2.37 0.11 -1.79 -1.12 132.00 131.20 3gxm h PRO 159 Ca -0.02 -0.03 -0.15 0.00 0.11 0.00 0.00 66.00 65.91 3gxm h PRO 159 Cb 0.60 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.60 3gxm h PRO 159 CO -0.06 0.28 -0.58 -0.07 -0.21 0.00 0.00 178.00 177.36 3gxm h LEU 160 N 0.43 0.45 -0.34 2.35 3.38 -1.48 -2.05 115.31 118.06 3gxm h LEU 160 Ca 0.59 -0.25 -0.06 0.00 0.09 0.00 0.00 57.88 58.24 3gxm h LEU 160 Cb 1.12 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 3gxm h LEU 160 CO -0.52 0.93 -0.04 0.40 0.09 0.00 0.00 178.44 179.31 3gxm h ILE 161 N 0.31 1.27 -0.66 1.22 2.04 -0.19 -1.25 117.51 120.25 3gxm h ILE 161 Ca -0.00 -1.05 0.09 0.00 1.00 0.00 0.00 64.86 64.90 3gxm h ILE 161 Cb 1.10 1.27 -0.07 0.00 -0.74 0.00 0.00 36.82 38.38 3gxm h ILE 161 CO 0.10 0.34 0.30 0.45 0.00 0.00 0.00 178.15 179.34 3gxm h HIS 162 N 0.42 0.53 -0.36 1.37 3.86 -1.17 -0.80 115.15 119.00 3gxm h HIS 162 Ca 0.09 0.03 -0.11 0.00 -1.16 0.00 0.00 60.37 59.22 3gxm h HIS 162 Cb 0.51 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.83 3gxm h HIS 162 CO 0.04 0.18 -0.21 0.00 0.86 0.00 0.00 177.93 178.80 3gxm h ARG 163 N 0.52 0.78 -0.74 2.45 3.08 -1.22 -1.49 114.38 117.76 3gxm h ARG 163 Ca 0.32 -0.36 0.04 0.00 0.07 0.00 0.00 59.98 60.06 3gxm h ARG 163 Cb 0.36 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.34 3gxm h ARG 163 CO -0.28 0.98 0.46 0.00 -1.07 0.00 0.00 179.97 180.07 3gxm h ALA 164 N 0.78 0.99 -0.23 0.04 0.00 -0.83 -1.72 119.26 118.29 3gxm h ALA 164 Ca 0.08 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.81 3gxm h ALA 164 Cb 0.77 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 3gxm h ALA 164 CO 0.06 0.22 -0.52 -0.07 0.00 0.00 0.00 179.25 178.94 3gxm h LEU 165 N 0.88 0.73 -0.68 0.00 3.38 -1.02 -2.55 115.31 116.05 3gxm h LEU 165 Ca 0.31 -0.38 0.01 0.00 0.09 0.00 0.00 57.88 57.91 3gxm h LEU 165 Cb 0.07 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 3gxm h LEU 165 CO -0.13 1.12 0.45 -0.61 0.09 0.00 0.00 178.44 179.36 3gxm h GLN 166 N 0.52 0.90 0.00 1.13 5.75 -0.92 -2.84 115.11 119.64 3gxm h GLN 166 Ca 0.02 -0.05 -0.04 0.00 -0.15 0.00 0.00 58.65 58.42 3gxm h GLN 166 Cb 1.08 -0.20 -0.01 0.00 1.07 0.00 0.00 27.48 29.42 3gxm h GLN 166 CO 0.11 0.59 -0.20 -0.07 -2.65 0.00 0.00 178.83 176.60 3gxm h LEU 167 N 0.92 0.00 -9.52 -2.39 3.38 -1.22 -3.44 115.31 103.05 3gxm h LEU 167 Ca 0.25 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.67 3gxm h LEU 167 Cb -0.10 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 3gxm h LEU 167 CO -0.06 0.20 0.12 0.00 0.09 0.00 0.00 178.44 178.80 3gxm s ALA 168 N -3.41 3.39 -0.08 1.53 0.00 -0.97 -4.20 121.76 118.02 3gxm s ALA 168 Ca 0.03 0.22 -0.18 0.00 0.00 0.00 0.00 51.96 52.02 3gxm s ALA 168 Cb 0.08 -2.94 -0.29 0.00 0.00 0.00 0.00 23.12 19.97 3gxm s ALA 168 CO 0.65 0.07 0.70 -0.56 0.00 0.00 0.00 175.76 176.62 3gxm h GLN 169 N 5.77 0.28 -6.58 0.00 -0.00 -1.84 -3.46 115.11 109.28 3gxm h GLN 169 Ca -0.44 -0.47 -0.59 0.00 -0.00 0.00 0.00 58.65 57.15 3gxm h GLN 169 Cb 1.20 0.18 0.09 0.00 -0.00 0.00 0.00 27.48 28.95 3gxm h GLN 169 CO 0.71 1.23 0.50 0.54 -0.00 0.00 0.00 178.83 181.81 3gxm n ARG 170 N -3.99 1.88 -1.67 0.06 1.74 -1.26 -4.94 116.66 108.47 3gxm n ARG 170 Ca -0.21 0.67 -0.47 0.00 -0.77 0.00 0.00 57.85 57.07 3gxm n ARG 170 Cb 0.88 -2.26 -0.04 0.00 -1.02 0.00 0.00 32.46 30.02 3gxm n ARG 170 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 3gxm n PRO 171 N 1.55 2.16 -3.65 5.56 -0.02 -1.26 -4.99 135.00 134.35 3gxm n PRO 171 Ca 0.10 0.78 -0.37 0.00 -2.02 0.00 0.00 63.50 62.00 3gxm n PRO 171 Cb 0.32 -2.58 -0.06 0.00 -0.02 0.00 0.00 33.50 31.16 3gxm n PRO 171 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3gxm s VAL 172 N 1.87 5.29 -0.27 -1.45 1.01 -1.26 -4.85 120.40 120.73 3gxm s VAL 172 Ca 0.83 0.51 -0.10 0.00 0.00 0.00 0.00 61.98 63.22 3gxm s VAL 172 Cb -0.68 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.08 3gxm s VAL 172 CO 0.42 0.53 0.16 -0.44 0.00 0.00 0.00 175.10 175.77 3gxm s SER 173 N -0.51 5.82 -0.07 3.32 0.01 -0.02 -4.97 113.70 117.28 3gxm s SER 173 Ca 0.18 -0.07 -0.24 0.00 1.31 0.00 0.00 55.95 57.13 3gxm s SER 173 Cb -0.14 -2.08 -0.04 0.00 0.21 0.00 0.00 66.02 63.98 3gxm s SER 173 CO 0.07 -0.05 0.73 -0.76 0.41 0.00 0.00 173.24 173.63 3gxm s LEU 174 N 1.73 4.31 -0.08 2.44 1.43 -1.26 -1.69 118.68 125.57 3gxm s LEU 174 Ca 0.07 1.22 0.04 0.00 -1.03 0.00 0.00 54.13 54.43 3gxm s LEU 174 Cb -0.16 -3.12 -0.01 0.00 0.03 0.00 0.00 46.19 42.92 3gxm s LEU 174 CO 0.09 -0.14 -0.20 -0.22 0.23 0.00 0.00 176.35 176.12 3gxm s LEU 175 N 0.87 2.37 0.11 1.79 2.96 -0.23 -0.17 118.68 126.39 3gxm s LEU 175 Ca 0.39 -0.40 0.08 0.00 -0.22 0.00 0.00 54.13 53.97 3gxm s LEU 175 Cb -0.18 -1.47 -0.04 0.00 0.50 0.00 0.00 46.19 45.00 3gxm s LEU 175 CO 0.19 0.24 -0.15 0.00 -1.32 0.00 0.00 176.35 175.30 3gxm s ALA 176 N -0.10 2.78 -0.15 5.97 0.00 -0.82 0.11 121.76 129.55 3gxm s ALA 176 Ca -0.04 -1.31 -0.07 0.00 0.00 0.00 0.00 51.96 50.54 3gxm s ALA 176 Cb -0.14 -0.74 0.06 0.00 0.00 0.00 0.00 23.12 22.30 3gxm s ALA 176 CO 0.04 0.61 0.34 -1.12 0.00 0.00 0.00 175.76 175.63 3gxm s SER 177 N -2.16 -0.31 0.20 0.00 0.01 -1.06 0.34 113.70 110.72 3gxm s SER 177 Ca 0.19 0.75 -0.09 0.00 1.31 0.00 0.00 55.95 58.11 3gxm s SER 177 Cb -0.11 0.71 -0.07 0.00 0.21 0.00 0.00 66.02 66.76 3gxm s SER 177 CO 0.11 -0.19 0.51 -2.16 0.41 0.00 0.00 173.24 171.92 3gxm s PRO 178 N 1.61 3.79 -0.23 12.44 0.04 -1.26 -0.77 135.00 150.62 3gxm s PRO 178 Ca -0.07 0.24 -0.16 0.00 0.04 0.00 0.00 61.00 61.04 3gxm s PRO 178 Cb -0.10 -2.73 -0.17 0.00 0.04 0.00 0.00 34.50 31.55 3gxm s PRO 178 CO -0.11 0.37 -0.03 0.91 0.04 0.00 0.00 177.00 178.18 3gxm n TRP 179 N 0.05 0.57 -4.13 0.56 5.03 -1.26 -0.91 117.44 117.36 3gxm n TRP 179 Ca -0.01 0.23 -0.16 0.00 3.03 0.00 0.00 57.50 60.58 3gxm n TRP 179 Cb 0.52 -1.06 -0.12 0.00 -1.03 0.00 0.00 31.31 29.63 3gxm n TRP 179 CO 0.00 0.00 0.00 -0.08 -0.03 0.00 0.00 177.69 177.58 3gxm s THR 180 N -2.44 0.91 0.75 -0.99 -1.32 -1.26 -2.51 115.64 108.77 3gxm s THR 180 Ca -0.33 -1.25 -0.11 0.00 -1.21 0.00 0.00 61.69 58.79 3gxm s THR 180 Cb 0.10 -0.93 0.04 0.00 -1.51 0.00 0.00 72.50 70.20 3gxm s THR 180 CO 0.56 -0.29 1.09 -0.94 -2.21 0.00 0.00 174.62 172.83 3gxm s SER 181 N -1.72 4.98 0.51 8.08 1.04 -1.26 -4.99 113.70 120.35 3gxm s SER 181 Ca -0.04 1.30 -0.19 0.00 0.48 0.00 0.00 55.95 57.50 3gxm s SER 181 Cb -0.10 -2.09 -0.13 0.00 0.10 0.00 0.00 66.02 63.80 3gxm s SER 181 CO 0.02 -1.66 0.19 -2.65 0.98 0.00 0.00 173.24 170.11 3gxm n PRO 182 N -3.23 0.23 0.24 4.02 -0.02 -1.26 -4.86 135.00 130.12 3gxm n PRO 182 Ca 0.07 0.09 0.12 0.00 -2.02 0.00 0.00 63.50 61.76 3gxm n PRO 182 Cb 0.56 -1.29 0.53 0.00 -0.02 0.00 0.00 33.50 33.28 3gxm n PRO 182 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 3gxm h THR 183 N 0.18 0.37 0.00 3.45 1.35 -1.88 -2.68 112.91 113.71 3gxm h THR 183 Ca -0.42 -0.90 0.00 0.00 -0.55 0.00 0.00 66.41 64.53 3gxm h THR 183 Cb 1.43 1.67 0.00 0.00 -1.73 0.00 0.00 68.15 69.52 3gxm h THR 183 CO 0.45 0.14 0.00 -2.67 -0.25 0.00 0.00 175.52 173.19 3gxm n TRP 184 N -3.30 0.52 1.25 4.73 4.27 -1.26 -2.28 117.44 121.37 3gxm n TRP 184 Ca 0.00 0.16 0.14 0.00 -3.89 0.00 0.00 57.50 53.92 3gxm n TRP 184 Cb 0.39 -0.77 0.58 0.00 -1.36 0.00 0.00 31.31 30.15 3gxm n TRP 184 CO 0.00 0.00 0.00 1.28 -2.29 0.00 0.00 177.69 176.68 3gxm n LEU 185 N -1.94 0.30 -4.68 5.67 4.77 -1.01 -4.89 117.00 115.23 3gxm n LEU 185 Ca 0.05 0.16 -0.34 0.00 -0.03 0.00 0.00 56.01 55.86 3gxm n LEU 185 Cb 0.35 -0.28 -0.09 0.00 -2.33 0.00 0.00 43.42 41.07 3gxm n LEU 185 CO 0.26 0.06 -0.32 -0.54 -1.33 0.00 0.00 177.39 175.52 3gxm s LYS 186 N -2.69 2.87 0.50 3.23 1.02 -0.97 -0.62 119.74 123.09 3gxm s LYS 186 Ca 0.23 -0.52 0.17 0.00 0.02 0.00 0.00 55.97 55.86 3gxm s LYS 186 Cb 0.19 -2.72 1.24 0.00 -0.52 0.00 0.00 37.83 36.03 3gxm s LYS 186 CO 0.52 0.66 2.09 1.79 -0.92 0.00 0.00 175.35 179.49 3gxm h THR 187 N 3.82 0.94 -0.02 2.17 1.35 -1.35 -2.83 112.91 116.99 3gxm h THR 187 Ca -0.50 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 65.33 3gxm h THR 187 Cb 1.18 0.85 0.00 0.00 -1.73 0.00 0.00 68.15 68.45 3gxm h THR 187 CO 0.56 0.02 -0.26 -0.46 -0.25 0.00 0.00 175.52 175.12 3gxm n ASN 188 N -4.49 2.26 -3.63 5.36 6.94 -1.26 -4.99 115.26 115.44 3gxm n ASN 188 Ca 0.01 -1.63 -0.27 0.00 -0.02 0.00 0.00 54.58 52.68 3gxm n ASN 188 Cb 0.22 0.29 -0.01 0.00 -2.36 0.00 0.00 39.78 37.92 3gxm n ASN 188 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3gxm n GLY 189 N 1.29 -0.47 3.19 4.83 0.00 -1.07 -4.99 105.19 107.97 3gxm n GLY 189 Ca 0.10 0.10 -0.11 0.00 0.00 0.00 0.00 46.02 46.11 3gxm n GLY 189 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gxm s ALA 190 N -3.02 1.09 -0.05 4.61 0.00 -1.26 -4.91 121.76 118.22 3gxm s ALA 190 Ca 0.51 -1.59 0.25 0.00 0.00 0.00 0.00 51.96 51.13 3gxm s ALA 190 Cb -0.27 1.01 0.79 0.00 0.00 0.00 0.00 23.12 24.65 3gxm s ALA 190 CO 0.62 -0.50 1.77 -0.39 0.00 0.00 0.00 175.76 177.27 3gxm h VAL 191 N 2.73 0.30 -2.62 0.00 -1.51 -1.92 -3.45 116.25 109.78 3gxm h VAL 191 Ca -0.36 -1.06 0.00 0.00 -1.23 0.00 0.00 66.70 64.05 3gxm h VAL 191 Cb 1.22 1.84 0.00 0.00 -2.13 0.00 0.00 31.29 32.22 3gxm h VAL 191 CO 0.58 0.14 0.00 -0.46 -1.23 0.00 0.00 177.57 176.60 3gxm n ASN 192 N -3.21 1.13 -0.49 4.19 0.23 -1.26 -1.26 115.26 114.59 3gxm n ASN 192 Ca 0.01 -0.49 0.04 0.00 -0.53 0.00 0.00 54.58 53.61 3gxm n ASN 192 Cb 0.46 0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 38.15 3gxm n ASN 192 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3gxm n GLY 193 N 2.82 -1.88 3.72 4.83 0.00 0.13 -4.76 105.19 110.04 3gxm n GLY 193 Ca 0.00 -1.32 -0.42 0.00 0.00 0.00 0.00 46.02 44.28 3gxm n GLY 193 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gxm s LYS 194 N -0.74 4.52 0.00 1.61 2.20 -1.19 -4.58 119.74 121.56 3gxm s LYS 194 Ca 0.00 1.60 0.00 0.00 -0.36 0.00 0.00 55.97 57.21 3gxm s LYS 194 Cb 0.00 -3.38 0.00 0.00 -1.51 0.00 0.00 37.83 32.94 3gxm s LYS 194 CO 0.00 -0.10 0.00 0.41 -0.36 0.00 0.00 175.35 175.30 3gxm n GLY 195 N 2.88 2.90 0.61 5.54 0.00 -0.49 -4.56 105.19 112.07 3gxm n GLY 195 Ca 0.07 -0.33 -0.05 0.00 0.00 0.00 0.00 46.02 45.70 3gxm n GLY 195 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gxm n SER 196 N 0.00 2.21 -4.77 1.61 3.41 -1.26 -1.25 113.62 113.58 3gxm n SER 196 Ca 0.00 -1.38 -0.39 0.00 -0.26 0.00 0.00 58.87 56.84 3gxm n SER 196 Cb 0.00 0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 3gxm n SER 196 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3gxm s LEU 197 N 0.00 4.16 0.67 1.04 1.43 -1.26 -1.07 118.68 123.64 3gxm s LEU 197 Ca 0.00 2.68 -0.17 0.00 -1.03 0.00 0.00 54.13 55.62 3gxm s LEU 197 Cb 0.00 -3.96 0.00 0.00 0.03 0.00 0.00 46.19 42.27 3gxm s LEU 197 CO 0.00 -0.96 1.20 -0.54 0.23 0.00 0.00 176.35 176.27 3gxm s LYS 198 N -2.36 2.56 2.89 1.70 1.02 0.21 -4.61 119.74 121.15 3gxm s LYS 198 Ca 0.59 1.74 0.00 0.00 0.02 0.00 0.00 55.97 58.32 3gxm s LYS 198 Cb -0.39 -1.89 0.00 0.00 -0.52 0.00 0.00 37.83 35.04 3gxm s LYS 198 CO 0.49 -1.51 0.00 0.41 -0.92 0.00 0.00 175.35 173.82 3gxm n GLY 199 N 0.32 0.09 3.45 -3.33 0.00 -1.26 -4.47 105.19 99.99 3gxm n GLY 199 Ca 0.13 -0.96 -0.29 0.00 0.00 0.00 0.00 46.02 44.90 3gxm n GLY 199 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gxm s GLN 200 N 0.00 1.62 0.27 1.61 -1.52 -1.26 -5.04 119.66 115.34 3gxm s GLN 200 Ca 0.00 -1.25 -0.28 0.00 -1.95 0.00 0.00 55.36 51.88 3gxm s GLN 200 Cb 0.00 -2.02 -0.15 0.00 -0.22 0.00 0.00 33.01 30.62 3gxm s GLN 200 CO 0.00 0.47 0.95 -2.30 -0.25 0.00 0.00 175.29 174.16 3gxm n PRO 201 N 0.86 1.14 0.00 2.91 -0.02 -1.26 -2.24 135.00 136.38 3gxm n PRO 201 Ca -0.17 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 3gxm n PRO 201 Cb 0.53 -1.73 0.00 0.00 -0.02 0.00 0.00 33.50 32.28 3gxm n PRO 201 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gxm n GLY 202 N 1.41 2.05 1.98 -1.23 0.00 -1.26 -5.04 105.19 103.10 3gxm n GLY 202 Ca 0.11 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.02 3gxm n GLY 202 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3gxm n ASP 203 N 0.00 0.74 0.01 1.61 5.75 -0.95 -4.72 116.55 118.99 3gxm n ASP 203 Ca 0.00 -1.61 -0.00 0.00 -0.01 0.00 0.00 54.79 53.17 3gxm n ASP 203 Cb 0.00 -0.32 0.30 0.00 -1.03 0.00 0.00 41.12 40.07 3gxm n ASP 203 CO 0.00 0.00 0.00 -0.29 -0.11 0.00 0.00 177.20 176.80 3gxm h ILE 204 N -0.43 1.20 0.25 2.12 2.10 -1.94 0.43 117.51 121.23 3gxm h ILE 204 Ca -0.16 -0.80 -0.01 0.00 1.08 0.00 0.00 64.86 64.96 3gxm h ILE 204 Cb 0.62 0.98 0.00 0.00 -1.09 0.00 0.00 36.82 37.34 3gxm h ILE 204 CO 0.18 0.27 -0.12 1.88 -1.08 0.00 0.00 178.15 179.29 3gxm h TYR 205 N 0.48 -0.31 -0.75 2.19 -1.99 -1.92 -0.75 116.97 113.92 3gxm h TYR 205 Ca 0.10 -0.01 0.07 0.00 2.00 0.00 0.00 58.73 60.90 3gxm h TYR 205 Cb 0.35 0.10 -0.06 0.00 2.00 0.00 0.00 36.73 39.12 3gxm h TYR 205 CO 0.01 0.06 0.42 0.45 -0.00 0.00 0.00 178.16 179.10 3gxm h HIS 206 N -0.79 0.77 -0.17 4.88 3.86 -1.74 -1.06 115.15 120.90 3gxm h HIS 206 Ca -0.03 0.03 -0.09 0.00 -1.16 0.00 0.00 60.37 59.12 3gxm h HIS 206 Cb 0.51 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.73 3gxm h HIS 206 CO 0.05 0.35 -0.27 1.96 0.86 0.00 0.00 177.93 180.87 3gxm h GLN 207 N 0.75 0.32 -0.18 2.45 1.08 -0.16 -1.94 115.11 117.44 3gxm h GLN 207 Ca 0.34 -0.12 -0.20 0.00 -1.45 0.00 0.00 58.65 57.22 3gxm h GLN 207 Cb 0.25 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.66 3gxm h GLN 207 CO -0.21 0.58 -0.69 1.15 -0.95 0.00 0.00 178.83 178.71 3gxm h THR 208 N 0.29 1.29 -0.53 -0.54 2.02 -0.84 -2.06 112.91 112.54 3gxm h THR 208 Ca 0.04 -1.92 -0.04 0.00 0.77 0.00 0.00 66.41 65.26 3gxm h THR 208 Cb 0.64 1.89 -0.02 0.00 -1.74 0.00 0.00 68.15 68.92 3gxm h THR 208 CO 0.05 0.61 0.16 -0.25 0.37 0.00 0.00 175.52 176.45 3gxm h TRP 209 N 0.53 0.87 -0.14 3.16 -0.00 -1.10 -1.61 115.95 117.66 3gxm h TRP 209 Ca -0.03 -0.09 0.03 0.00 -0.00 0.00 0.00 58.89 58.80 3gxm h TRP 209 Cb 1.30 -0.25 -0.03 0.00 -0.00 0.00 0.00 29.16 30.18 3gxm h TRP 209 CO 0.07 0.75 -0.05 0.00 -0.00 0.00 0.00 178.44 179.21 3gxm h ALA 210 N 1.03 0.08 0.00 2.65 0.00 -1.36 -2.33 119.26 119.33 3gxm h ALA 210 Ca 0.17 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 3gxm h ALA 210 Cb 0.29 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 3gxm h ALA 210 CO -0.00 -0.49 -0.00 0.00 0.00 0.00 0.00 179.25 178.75 3gxm h ARG 211 N -0.02 0.00 0.05 0.00 3.08 -1.03 -2.26 114.38 114.20 3gxm h ARG 211 Ca 0.07 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.85 3gxm h ARG 211 Cb 0.13 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.20 3gxm h ARG 211 CO -0.16 0.00 -1.11 -0.92 -1.07 0.00 0.00 179.97 176.71 3gxm h TYR 212 N 0.00 0.97 -0.55 3.04 -0.00 -0.73 -1.49 116.97 118.22 3gxm h TYR 212 Ca -0.00 -0.56 0.11 0.00 -0.00 0.00 0.00 58.73 58.28 3gxm h TYR 212 Cb 0.06 -0.10 -0.11 0.00 -0.00 0.00 0.00 36.73 36.58 3gxm h TYR 212 CO 0.00 1.40 -0.22 0.74 -0.00 0.00 0.00 178.16 180.08 3gxm h PHE 213 N 0.33 -0.56 -0.60 -3.82 -1.00 -1.34 0.09 116.94 110.04 3gxm h PHE 213 Ca -0.15 0.06 -0.04 0.00 2.81 0.00 0.00 57.97 60.66 3gxm h PHE 213 Cb 1.77 0.33 -0.03 0.00 3.61 0.00 0.00 35.95 41.63 3gxm h PHE 213 CO 0.10 -0.31 0.24 0.28 -1.61 0.00 0.00 178.31 177.01 3gxm h VAL 214 N -0.09 1.23 -0.95 -0.55 2.07 -1.46 -1.92 116.25 114.58 3gxm h VAL 214 Ca 0.25 -0.72 -0.00 0.00 0.82 0.00 0.00 66.70 67.05 3gxm h VAL 214 Cb 0.48 0.59 -0.05 0.00 -1.52 0.00 0.00 31.29 30.79 3gxm h VAL 214 CO -0.61 0.28 0.59 0.11 0.02 0.00 0.00 177.57 177.96 3gxm h LYS 215 N 0.83 1.28 0.57 1.57 1.79 -0.92 1.00 116.57 122.68 3gxm h LYS 215 Ca 0.20 -0.10 -0.02 0.00 -2.18 0.00 0.00 60.65 58.55 3gxm h LYS 215 Cb 0.21 -0.27 -0.01 0.00 -1.58 0.00 0.00 32.23 30.57 3gxm h LYS 215 CO -0.02 0.88 -0.44 0.35 -1.08 0.00 0.00 179.45 179.14 3gxm h PHE 216 N 1.30 -1.20 -0.73 -1.35 3.57 -0.70 -0.81 116.94 117.02 3gxm h PHE 216 Ca 0.34 -0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.98 3gxm h PHE 216 Cb -0.09 0.45 -0.09 0.00 2.79 0.00 0.00 35.95 39.01 3gxm h PHE 216 CO 0.00 -0.63 0.28 -0.07 -2.23 0.00 0.00 178.31 175.66 3gxm h LEU 217 N -0.99 0.25 -0.04 0.59 3.38 -1.17 -0.91 115.31 116.42 3gxm h LEU 217 Ca -0.07 0.11 0.03 0.00 0.09 0.00 0.00 57.88 58.04 3gxm h LEU 217 Cb 0.83 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.65 3gxm h LEU 217 CO 0.01 0.10 -0.11 0.44 0.09 0.00 0.00 178.44 178.96 3gxm h ASP 218 N 0.42 -0.34 0.11 -0.43 3.32 -0.65 -0.82 116.42 118.03 3gxm h ASP 218 Ca 0.40 0.06 -0.08 0.00 0.02 0.00 0.00 57.03 57.43 3gxm h ASP 218 Cb 0.60 0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.29 3gxm h ASP 218 CO -0.40 -0.16 -0.26 0.00 -1.72 0.00 0.00 179.24 176.71 3gxm h ALA 219 N 0.84 1.32 -0.13 3.45 0.00 -0.82 -0.12 119.26 123.80 3gxm h ALA 219 Ca 0.06 -0.30 -0.17 0.00 0.00 0.00 0.00 54.91 54.50 3gxm h ALA 219 Cb 0.25 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3gxm h ALA 219 CO -0.15 0.47 -0.63 1.88 0.00 0.00 0.00 179.25 180.82 3gxm h TYR 220 N 0.22 0.59 -0.66 0.00 -1.99 -1.14 -3.28 116.97 110.72 3gxm h TYR 220 Ca 0.04 -0.23 -0.05 0.00 2.00 0.00 0.00 58.73 60.48 3gxm h TYR 220 Cb 0.58 -0.10 -0.03 0.00 2.00 0.00 0.00 36.73 39.17 3gxm h TYR 220 CO 0.01 0.96 0.20 0.00 -0.00 0.00 0.00 178.16 179.33 3gxm h ALA 221 N 0.98 1.10 -0.99 3.88 0.00 -0.61 -0.38 119.26 123.25 3gxm h ALA 221 Ca -0.01 -0.21 0.28 0.00 0.00 0.00 0.00 54.91 54.97 3gxm h ALA 221 Cb 1.18 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 3gxm h ALA 221 CO 0.11 0.61 0.70 0.93 0.00 0.00 0.00 179.25 181.61 3gxm h GLU 222 N 0.98 0.05 -0.64 0.00 5.08 -1.10 0.19 114.58 119.14 3gxm h GLU 222 Ca 0.22 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 3gxm h GLU 222 Cb 0.29 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.53 3gxm h GLU 222 CO -0.01 0.03 0.00 0.72 -1.00 0.00 0.00 179.01 178.76 3gxm n HIS 223 N -4.28 1.38 -2.91 4.33 8.25 -0.24 -4.96 115.22 116.79 3gxm n HIS 223 Ca 0.21 -0.60 -0.15 0.00 -0.26 0.00 0.00 57.72 56.91 3gxm n HIS 223 Cb 1.02 -0.21 0.03 0.00 1.12 0.00 0.00 29.99 31.95 3gxm n HIS 223 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3gxm n LYS 224 N 1.12 -3.91 -5.06 -0.41 5.02 0.05 -5.01 118.16 109.96 3gxm n LYS 224 Ca 0.25 0.59 -0.29 0.00 -2.02 0.00 0.00 58.31 56.84 3gxm n LYS 224 Cb 0.85 -4.80 -0.16 0.00 -0.02 0.00 0.00 35.03 30.90 3gxm n LYS 224 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3gxm s LEU 225 N -4.77 2.00 0.09 -0.35 1.43 -0.65 -4.99 118.68 111.43 3gxm s LEU 225 Ca 0.26 -0.43 0.08 0.00 -1.03 0.00 0.00 54.13 53.01 3gxm s LEU 225 Cb -0.12 -1.17 -0.03 0.00 0.03 0.00 0.00 46.19 44.90 3gxm s LEU 225 CO 0.32 0.21 -0.21 -1.10 0.23 0.00 0.00 176.35 175.80 3gxm s GLN 226 N -0.12 1.18 0.06 1.70 -1.52 -1.26 -2.75 119.66 116.95 3gxm s GLN 226 Ca -0.02 -1.10 0.01 0.00 -1.95 0.00 0.00 55.36 52.30 3gxm s GLN 226 Cb -0.12 -1.41 -0.04 0.00 -0.22 0.00 0.00 33.01 31.22 3gxm s GLN 226 CO 0.03 0.34 0.12 -0.06 -0.25 0.00 0.00 175.29 175.46 3gxm s PHE 227 N -1.07 3.32 0.01 0.91 0.40 -1.26 -4.45 117.98 115.84 3gxm s PHE 227 Ca 0.07 0.16 -0.08 0.00 -0.60 0.00 0.00 56.93 56.48 3gxm s PHE 227 Cb -0.10 -1.69 -0.30 0.00 0.51 0.00 0.00 43.02 41.44 3gxm s PHE 227 CO 0.04 0.55 0.91 2.35 0.70 0.00 0.00 175.22 179.77 3gxm h TRP 228 N 3.38 0.64 -3.24 0.36 7.01 -0.90 -3.43 115.95 119.77 3gxm h TRP 228 Ca -0.47 -0.47 -0.01 0.00 2.11 0.00 0.00 58.89 60.06 3gxm h TRP 228 Cb 1.17 -0.03 -0.09 0.00 -2.10 0.00 0.00 29.16 28.11 3gxm h TRP 228 CO 0.62 1.46 0.07 0.00 -2.79 0.00 0.00 178.44 177.80 3gxm s ALA 229 N -2.61 -1.01 0.05 2.65 0.00 -1.15 -1.54 121.76 118.14 3gxm s ALA 229 Ca -0.09 -0.20 0.02 0.00 0.00 0.00 0.00 51.96 51.69 3gxm s ALA 229 Cb 0.06 0.87 -0.03 0.00 0.00 0.00 0.00 23.12 24.02 3gxm s ALA 229 CO 0.88 -0.84 -0.08 0.14 0.00 0.00 0.00 175.76 175.87 3gxm s VAL 230 N -3.88 0.57 0.14 0.00 -7.23 0.06 -1.95 120.40 108.11 3gxm s VAL 230 Ca 0.09 -1.25 0.02 0.00 -1.81 0.00 0.00 61.98 59.04 3gxm s VAL 230 Cb -0.02 -0.82 -0.04 0.00 0.56 0.00 0.00 36.38 36.06 3gxm s VAL 230 CO -0.02 -0.48 0.27 0.42 -0.31 0.00 0.00 175.10 174.98 3gxm s THR 231 N -1.83 5.30 -0.86 5.32 -4.23 0.15 -1.25 115.64 118.24 3gxm s THR 231 Ca -0.06 -0.67 0.12 0.00 -1.18 0.00 0.00 61.69 59.90 3gxm s THR 231 Cb -0.07 -3.71 0.11 0.00 1.34 0.00 0.00 72.50 70.16 3gxm s THR 231 CO -0.01 -0.07 1.36 0.00 -0.54 0.00 0.00 174.62 175.36 3gxm n ALA 232 N -0.46 1.39 0.00 3.99 0.00 -0.52 -4.57 120.51 120.34 3gxm n ALA 232 Ca -0.07 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3gxm n ALA 232 Cb 0.54 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.80 3gxm n ALA 232 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3gxm n GLU 233 N -1.66 0.00 -2.31 0.00 4.07 -1.26 -4.97 120.64 114.51 3gxm n GLU 233 Ca 0.02 0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 56.70 3gxm n GLU 233 Cb 0.11 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 31.46 3gxm n GLU 233 CO 0.00 0.00 0.00 1.21 -0.06 0.00 0.00 177.13 178.28 3gxm s ASN 234 N 0.00 6.95 -1.04 4.31 2.47 -0.08 -4.32 114.94 123.23 3gxm s ASN 234 Ca 0.00 2.10 -0.19 0.00 0.42 0.00 0.00 52.86 55.19 3gxm s ASN 234 Cb 0.00 -2.57 0.02 0.00 -1.45 0.00 0.00 41.25 37.25 3gxm s ASN 234 CO 0.00 -0.60 0.66 -0.62 -3.72 0.00 0.00 177.10 172.82 3gxm n GLU 235 N 4.48 -0.88 -0.11 0.43 1.02 0.64 -4.74 120.64 121.49 3gxm n GLU 235 Ca 0.11 0.42 0.18 0.00 -0.02 0.00 0.00 57.16 57.86 3gxm n GLU 235 Cb 0.45 -2.66 0.59 0.00 -0.02 0.00 0.00 31.44 29.79 3gxm n GLU 235 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3gxm h PRO 236 N -1.54 0.23 0.00 3.49 0.13 -1.75 -1.74 132.00 130.82 3gxm h PRO 236 Ca -0.66 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.46 3gxm h PRO 236 Cb 1.39 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.47 3gxm h PRO 236 CO 0.45 0.15 0.00 0.66 -0.23 0.00 0.00 178.00 179.03 3gxm h SER 237 N 0.24 0.00 -0.16 1.44 4.64 -1.86 -1.67 113.55 116.18 3gxm h SER 237 Ca 0.34 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.55 3gxm h SER 237 Cb 0.98 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.06 3gxm h SER 237 CO -0.07 0.00 -0.24 0.00 -0.87 0.00 0.00 176.83 175.64 3gxm h ALA 238 N 2.25 0.99 -0.18 5.18 0.00 -1.66 -3.06 119.26 122.78 3gxm h ALA 238 Ca 0.00 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 3gxm h ALA 238 Cb 0.66 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3gxm h ALA 238 CO 0.00 0.60 0.02 0.41 0.00 0.00 0.00 179.25 180.28 3gxm n GLY 239 N -0.30 2.02 0.35 0.00 0.00 -1.19 -2.64 105.19 103.44 3gxm n GLY 239 Ca -0.00 -0.28 0.06 0.00 0.00 0.00 0.00 46.02 45.81 3gxm n GLY 239 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gxm n LEU 240 N 0.16 1.56 -4.47 0.99 4.77 -1.15 -1.40 117.00 117.46 3gxm n LEU 240 Ca 0.09 -0.81 -0.34 0.00 -0.03 0.00 0.00 56.01 54.92 3gxm n LEU 240 Cb 0.56 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.53 3gxm n LEU 240 CO 0.10 0.30 -0.34 -0.76 -1.33 0.00 0.00 177.39 175.36 3gxm s LEU 241 N -1.69 3.25 0.45 2.23 1.43 -1.08 -4.94 118.68 118.33 3gxm s LEU 241 Ca 0.12 -0.17 -0.23 0.00 -1.03 0.00 0.00 54.13 52.82 3gxm s LEU 241 Cb 0.11 -1.80 -0.08 0.00 0.03 0.00 0.00 46.19 44.45 3gxm s LEU 241 CO 0.30 0.11 1.15 -0.94 0.23 0.00 0.00 176.35 177.20 3gxm s SER 242 N 0.71 6.24 -1.07 2.29 1.04 -1.26 -2.46 113.70 119.19 3gxm s SER 242 Ca -0.01 2.27 0.00 0.00 0.48 0.00 0.00 55.95 58.69 3gxm s SER 242 Cb -0.14 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.38 3gxm s SER 242 CO 0.02 -0.86 0.00 0.61 0.98 0.00 0.00 173.24 173.99 3gxm n GLY 243 N 0.43 1.02 3.67 7.32 0.00 -1.26 -4.82 105.19 111.54 3gxm n GLY 243 Ca 0.07 -0.09 -0.49 0.00 0.00 0.00 0.00 46.02 45.50 3gxm n GLY 243 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3gxm n TYR 244 N -2.33 2.18 0.13 1.61 9.36 -1.03 -4.73 117.16 122.35 3gxm n TYR 244 Ca -0.10 0.23 0.00 0.00 3.32 0.00 0.00 57.90 61.35 3gxm n TYR 244 Cb 0.52 -2.56 0.11 0.00 -0.63 0.00 0.00 39.34 36.77 3gxm n TYR 244 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 3gxm h PRO 245 N 7.45 0.00 0.00 2.98 0.13 -1.93 0.36 132.00 140.99 3gxm h PRO 245 Ca -0.47 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.04 3gxm h PRO 245 Cb 1.28 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.28 3gxm h PRO 245 CO 0.91 0.61 -0.49 1.97 -0.23 0.00 0.00 178.00 180.77 3gxm n PHE 246 N -3.45 0.59 -1.69 1.56 1.16 -1.26 -4.86 117.46 109.50 3gxm n PHE 246 Ca 0.00 -2.67 -0.58 0.00 -1.87 0.00 0.00 57.45 52.33 3gxm n PHE 246 Cb 0.70 -0.15 -0.07 0.00 -1.61 0.00 0.00 39.48 38.35 3gxm n PHE 246 CO 0.00 0.00 0.00 1.04 -1.87 0.00 0.00 176.76 175.93 3gxm n GLN 247 N -1.10 1.00 -3.95 3.97 3.00 -1.25 -4.40 117.38 114.64 3gxm n GLN 247 Ca -0.13 0.36 -0.09 0.00 -0.01 0.00 0.00 57.00 57.14 3gxm n GLN 247 Cb 0.65 -2.02 -0.04 0.00 0.00 0.00 0.00 30.24 28.83 3gxm n GLN 247 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3gxm s LEU 249 N -3.00 -1.02 0.18 0.00 2.96 -1.04 -4.43 118.68 112.33 3gxm s LEU 249 Ca 0.19 0.04 -0.32 0.00 -0.22 0.00 0.00 54.13 53.82 3gxm s LEU 249 Cb -0.03 1.45 -0.11 0.00 0.50 0.00 0.00 46.19 48.01 3gxm s LEU 249 CO 0.09 -0.32 1.63 -0.83 -1.32 0.00 0.00 176.35 175.60 3gxm s GLY 250 N 2.65 1.43 -0.02 7.98 0.00 -0.38 -4.51 107.32 114.47 3gxm s GLY 250 Ca 0.12 1.46 0.03 0.00 0.00 0.00 0.00 44.72 46.33 3gxm s GLY 250 CO -0.25 2.73 -0.11 -1.36 0.00 0.00 0.00 173.10 174.11 3gxm s PHE 251 N 1.13 1.09 0.69 1.90 0.40 -0.63 -4.42 117.98 118.13 3gxm s PHE 251 Ca 0.72 -0.27 -0.11 0.00 -0.60 0.00 0.00 56.93 56.67 3gxm s PHE 251 Cb -0.46 -0.75 0.00 0.00 0.51 0.00 0.00 43.02 42.32 3gxm s PHE 251 CO 0.32 -0.09 1.06 0.95 0.70 0.00 0.00 175.22 178.16 3gxm s THR 252 N 0.07 4.06 0.39 0.64 -4.23 -1.26 -4.20 115.64 111.11 3gxm s THR 252 Ca -0.02 0.67 0.11 0.00 -1.18 0.00 0.00 61.69 61.28 3gxm s THR 252 Cb -0.08 -3.48 0.33 0.00 1.34 0.00 0.00 72.50 70.61 3gxm s THR 252 CO 0.01 -0.87 1.92 -0.65 -0.54 0.00 0.00 174.62 174.48 3gxm h PRO 253 N -0.66 0.55 -0.53 3.99 0.11 -1.98 -0.70 132.00 132.78 3gxm h PRO 253 Ca -0.44 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.52 3gxm h PRO 253 Cb 1.21 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 3gxm h PRO 253 CO 0.59 0.36 -0.10 0.93 -0.21 0.00 0.00 178.00 179.57 3gxm h GLU 254 N 0.57 0.99 -0.30 1.05 3.07 -1.93 -0.64 114.58 117.39 3gxm h GLU 254 Ca 0.36 -0.36 -0.18 0.00 -0.50 0.00 0.00 59.36 58.69 3gxm h GLU 254 Cb 0.64 -0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 28.48 3gxm h GLU 254 CO -0.13 1.03 -0.51 1.25 -1.40 0.00 0.00 179.01 179.25 3gxm h HIS 255 N 0.88 1.09 -0.15 4.33 2.76 -1.63 -1.59 115.15 120.85 3gxm h HIS 255 Ca 0.14 -0.38 0.00 0.00 -2.20 0.00 0.00 60.37 57.93 3gxm h HIS 255 Cb 0.66 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 29.40 3gxm h HIS 255 CO 0.04 1.21 0.09 0.37 -1.30 0.00 0.00 177.93 178.34 3gxm h GLN 256 N 0.66 0.19 -0.28 5.26 4.15 -1.12 0.77 115.11 124.75 3gxm h GLN 256 Ca 0.02 -0.01 0.07 0.00 0.77 0.00 0.00 58.65 59.49 3gxm h GLN 256 Cb 1.12 -0.04 -0.07 0.00 0.21 0.00 0.00 27.48 28.69 3gxm h GLN 256 CO 0.12 0.14 -0.23 -0.09 -1.93 0.00 0.00 178.83 176.84 3gxm h ARG 257 N 0.19 -0.20 -0.34 1.69 2.43 -1.08 -1.61 114.38 115.46 3gxm h ARG 257 Ca 0.05 0.01 -0.16 0.00 -0.81 0.00 0.00 59.98 59.08 3gxm h ARG 257 Cb -0.01 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 3gxm h ARG 257 CO -0.01 -0.13 -0.41 -0.44 -1.51 0.00 0.00 179.97 177.47 3gxm h ASP 258 N -0.21 0.89 -0.92 -3.80 3.32 -1.14 -1.83 116.42 112.73 3gxm h ASP 258 Ca 0.15 -0.41 0.09 0.00 0.02 0.00 0.00 57.03 56.88 3gxm h ASP 258 Cb 0.44 -0.25 -0.07 0.00 0.22 0.00 0.00 39.33 39.67 3gxm h ASP 258 CO -0.41 1.18 0.56 0.15 -1.72 0.00 0.00 179.24 179.01 3gxm h PHE 259 N 0.67 1.03 -0.02 4.55 3.57 -0.69 0.23 116.94 126.28 3gxm h PHE 259 Ca 0.05 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 3gxm h PHE 259 Cb 0.98 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 39.39 3gxm h PHE 259 CO 0.06 0.45 -0.05 0.82 -2.23 0.00 0.00 178.31 177.35 3gxm h ILE 260 N 0.95 1.45 -0.10 1.41 2.04 -1.16 0.27 117.51 122.36 3gxm h ILE 260 Ca 0.43 -1.41 -0.02 0.00 1.00 0.00 0.00 64.86 64.86 3gxm h ILE 260 Cb 0.34 2.33 -0.00 0.00 -0.74 0.00 0.00 36.82 38.75 3gxm h ILE 260 CO -0.23 0.38 -0.02 0.00 0.00 0.00 0.00 178.15 178.28 3gxm h ALA 261 N 0.44 0.14 -0.14 1.87 0.00 -1.24 0.12 119.26 120.45 3gxm h ALA 261 Ca 0.00 -0.21 -0.23 0.00 0.00 0.00 0.00 54.91 54.47 3gxm h ALA 261 Cb 0.64 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.40 3gxm h ALA 261 CO 0.01 -0.13 -0.81 0.00 0.00 0.00 0.00 179.25 178.32 3gxm h ARG 262 N -0.12 0.78 0.00 0.00 2.47 -0.61 -3.41 114.38 113.49 3gxm h ARG 262 Ca 0.03 -0.65 0.00 0.00 -1.26 0.00 0.00 59.98 58.09 3gxm h ARG 262 Cb 0.42 0.14 0.00 0.00 -1.65 0.00 0.00 29.97 28.88 3gxm h ARG 262 CO 0.01 1.26 0.00 -0.25 0.56 0.00 0.00 179.97 181.55 3gxm n ASP 263 N -3.92 0.69 -0.06 7.04 8.00 0.69 -4.75 116.55 124.23 3gxm n ASP 263 Ca -0.08 0.12 -0.11 0.00 0.71 0.00 0.00 54.79 55.43 3gxm n ASP 263 Cb 0.76 -0.18 -0.05 0.00 -0.02 0.00 0.00 41.12 41.63 3gxm n ASP 263 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3gxm h LEU 264 N 0.00 0.29 0.54 0.64 5.85 -0.87 -1.85 115.31 119.91 3gxm h LEU 264 Ca 0.00 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.46 3gxm h LEU 264 Cb 0.00 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 3gxm h LEU 264 CO 0.00 0.46 -0.47 1.23 -0.34 0.00 0.00 178.44 179.32 3gxm h GLY 265 N 0.11 -1.18 0.67 3.75 0.00 -0.97 -1.71 103.07 103.74 3gxm h GLY 265 Ca 0.06 0.54 0.06 0.00 0.00 0.00 0.00 47.33 47.99 3gxm h GLY 265 CO 0.00 -0.38 0.37 -2.55 0.00 0.00 0.00 176.54 173.99 3gxm h PRO 266 N -1.00 0.66 -0.26 4.80 0.11 -1.75 -1.38 132.00 133.19 3gxm h PRO 266 Ca -0.06 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 66.03 3gxm h PRO 266 Cb 0.85 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.79 3gxm h PRO 266 CO -0.03 0.44 0.11 1.15 -0.21 0.00 0.00 178.00 179.46 3gxm h THR 267 N 0.68 0.96 -0.45 -1.15 2.02 -1.35 -0.48 112.91 113.15 3gxm h THR 267 Ca 0.30 -0.08 -0.05 0.00 0.77 0.00 0.00 66.41 67.35 3gxm h THR 267 Cb 0.20 0.70 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 3gxm h THR 267 CO -0.19 0.04 0.10 -0.07 0.37 0.00 0.00 175.52 175.78 3gxm h LEU 268 N 0.24 0.69 -0.87 2.58 3.38 -1.13 -2.93 115.31 117.27 3gxm h LEU 268 Ca 0.11 -0.24 0.13 0.00 0.09 0.00 0.00 57.88 57.97 3gxm h LEU 268 Cb 0.06 -0.18 -0.09 0.00 0.09 0.00 0.00 40.66 40.54 3gxm h LEU 268 CO -0.10 0.75 0.48 0.00 0.09 0.00 0.00 178.44 179.66 3gxm h ALA 269 N 0.96 1.30 -0.00 1.53 0.00 -1.11 -2.08 119.26 119.87 3gxm h ALA 269 Ca 0.14 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3gxm h ALA 269 Cb 0.34 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3gxm h ALA 269 CO 0.00 -0.01 -0.00 0.09 0.00 0.00 0.00 179.25 179.33 3gxm n ASN 270 N -4.80 0.02 -4.86 0.00 4.13 -0.20 -4.72 115.26 104.83 3gxm n ASN 270 Ca 0.17 -0.27 -0.22 0.00 1.68 0.00 0.00 54.58 55.94 3gxm n ASN 270 Cb 0.39 -0.24 0.07 0.00 -1.54 0.00 0.00 39.78 38.46 3gxm n ASN 270 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 3gxm s SER 271 N -2.50 4.88 0.00 6.41 1.04 -0.78 -4.98 113.70 117.77 3gxm s SER 271 Ca 0.31 -0.23 0.26 0.00 0.48 0.00 0.00 55.95 56.76 3gxm s SER 271 Cb 0.20 -0.42 1.37 0.00 0.10 0.00 0.00 66.02 67.28 3gxm s SER 271 CO 0.45 -1.45 1.88 0.35 0.98 0.00 0.00 173.24 175.45 3gxm n THR 272 N -2.53 0.13 -1.13 2.02 -2.24 -1.26 -3.39 114.28 105.88 3gxm n THR 272 Ca 0.11 0.03 -0.03 0.00 -2.27 0.00 0.00 64.05 61.90 3gxm n THR 272 Cb 0.60 -0.61 0.27 0.00 -2.10 0.00 0.00 70.33 68.48 3gxm n THR 272 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3gxm n HIS 273 N -1.20 1.83 0.31 4.78 8.25 -1.26 -4.69 115.22 123.25 3gxm n HIS 273 Ca 0.14 -1.24 0.19 0.00 -0.26 0.00 0.00 57.72 56.55 3gxm n HIS 273 Cb 0.17 -0.57 1.00 0.00 1.12 0.00 0.00 29.99 31.71 3gxm n HIS 273 CO 0.00 0.00 0.00 1.12 0.64 0.00 0.00 176.34 178.10 3gxm h HIS 274 N 2.02 0.00 0.00 4.41 -0.00 -1.59 -1.07 115.15 118.92 3gxm h HIS 274 Ca 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.58 3gxm h HIS 274 Cb 2.01 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 29.42 3gxm h HIS 274 CO 1.06 0.02 0.00 0.09 -0.00 0.00 0.00 177.93 179.10 3gxm n ASN 275 N -3.31 0.00 -4.71 3.10 3.02 -1.26 -4.78 115.26 107.32 3gxm n ASN 275 Ca -0.02 0.24 -0.42 0.00 -0.03 0.00 0.00 54.58 54.35 3gxm n ASN 275 Cb 0.14 -0.40 -0.03 0.00 -0.61 0.00 0.00 39.78 38.87 3gxm n ASN 275 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3gxm s VAL 276 N -2.81 3.38 0.48 2.41 1.01 -0.41 -4.94 120.40 119.52 3gxm s VAL 276 Ca 0.18 0.97 -0.13 0.00 0.00 0.00 0.00 61.98 63.00 3gxm s VAL 276 Cb 0.17 -3.62 -0.06 0.00 0.00 0.00 0.00 36.38 32.86 3gxm s VAL 276 CO 0.43 0.07 0.89 -0.13 0.00 0.00 0.00 175.10 176.36 3gxm s ARG 277 N 1.21 3.81 -0.08 2.72 1.81 -0.59 -4.91 118.95 122.91 3gxm s ARG 277 Ca 0.64 0.68 0.03 0.00 -1.72 0.00 0.00 55.73 55.37 3gxm s ARG 277 Cb -0.36 -2.25 -0.01 0.00 -0.45 0.00 0.00 34.95 31.88 3gxm s ARG 277 CO 0.30 -0.21 -0.18 -1.17 -0.68 0.00 0.00 175.30 173.36 3gxm s LEU 278 N -4.17 2.45 -0.09 2.53 2.96 -1.26 -0.76 118.68 120.34 3gxm s LEU 278 Ca 0.55 -0.38 0.04 0.00 -0.22 0.00 0.00 54.13 54.12 3gxm s LEU 278 Cb -0.10 -1.50 -0.00 0.00 0.50 0.00 0.00 46.19 45.08 3gxm s LEU 278 CO 0.35 0.23 -0.24 -0.76 -1.32 0.00 0.00 176.35 174.62 3gxm s LEU 279 N -0.07 2.07 0.59 -0.68 1.43 -0.38 -1.37 118.68 120.27 3gxm s LEU 279 Ca -0.04 -0.54 -0.01 0.00 -1.03 0.00 0.00 54.13 52.51 3gxm s LEU 279 Cb -0.14 -1.38 0.04 0.00 0.03 0.00 0.00 46.19 44.74 3gxm s LEU 279 CO 0.04 0.17 0.84 0.00 0.23 0.00 0.00 176.35 177.63 3gxm s MET 280 N 0.24 2.47 0.19 1.70 0.23 -0.23 -1.45 119.30 122.45 3gxm s MET 280 Ca -0.15 -0.64 0.00 0.00 -1.03 0.00 0.00 55.69 53.87 3gxm s MET 280 Cb -0.17 -2.41 0.00 0.00 -1.53 0.00 0.00 34.83 30.72 3gxm s MET 280 CO 0.08 -0.84 0.00 -0.11 -2.03 0.00 0.00 175.02 172.12 3gxm n LEU 281 N -2.49 0.00 -3.67 0.18 7.94 -1.26 0.01 117.00 117.70 3gxm n LEU 281 Ca 0.08 0.00 -0.23 0.00 -1.11 0.00 0.00 56.01 54.75 3gxm n LEU 281 Cb 0.60 0.00 0.05 0.00 0.53 0.00 0.00 43.42 44.60 3gxm n LEU 281 CO 0.47 0.00 0.05 -0.67 -1.11 0.00 0.00 177.39 176.13 3gxm n ASP 282 N 5.04 -2.89 -3.38 1.96 2.03 0.86 -4.32 116.55 115.85 3gxm n ASP 282 Ca 0.00 -0.73 -0.09 0.00 0.52 0.00 0.00 54.79 54.49 3gxm n ASP 282 Cb 0.00 -4.39 -0.01 0.00 -0.72 0.00 0.00 41.12 36.00 3gxm n ASP 282 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3gxm s ASP 283 N -3.99 0.08 0.22 1.67 -1.08 -1.20 -0.26 116.67 112.12 3gxm s ASP 283 Ca 0.23 -1.04 -0.27 0.00 -0.52 0.00 0.00 52.55 50.95 3gxm s ASP 283 Cb -0.11 0.75 -0.17 0.00 -1.46 0.00 0.00 42.92 41.93 3gxm s ASP 283 CO 0.79 -1.45 0.49 0.00 0.52 0.00 0.00 175.17 175.51 3gxm n GLN 284 N -0.50 0.04 0.20 4.34 1.13 -1.26 -0.23 117.38 121.11 3gxm n GLN 284 Ca -0.05 0.01 0.14 0.00 -1.94 0.00 0.00 57.00 55.17 3gxm n GLN 284 Cb 0.60 -1.03 0.46 0.00 0.11 0.00 0.00 30.24 30.38 3gxm n GLN 284 CO 0.00 0.00 0.00 0.07 -1.44 0.00 0.00 177.06 175.69 3gxm h ARG 285 N 0.96 0.00 -0.20 -1.09 0.11 -1.94 -3.01 114.38 109.21 3gxm h ARG 285 Ca -0.29 0.00 0.06 0.00 0.10 0.00 0.00 59.98 59.85 3gxm h ARG 285 Cb 1.44 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.51 3gxm h ARG 285 CO 0.56 0.00 0.17 1.37 0.10 0.00 0.00 179.97 182.17 3gxm h LEU 286 N 0.00 0.00 0.00 0.08 -0.00 -1.91 -1.05 115.31 112.43 3gxm h LEU 286 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 3gxm h LEU 286 Cb 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.31 3gxm h LEU 286 CO 0.00 0.00 0.00 0.18 -0.00 0.00 0.00 178.44 178.62 3gxm n LEU 287 N -4.17 0.00 -4.62 0.17 4.77 -1.14 -4.78 117.00 107.24 3gxm n LEU 287 Ca 0.02 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.71 3gxm n LEU 287 Cb 0.30 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.30 3gxm n LEU 287 CO 0.32 0.00 -0.39 -0.76 -1.33 0.00 0.00 177.39 175.23 3gxm s LEU 288 N -1.36 3.18 0.00 2.23 1.43 -0.40 -2.03 118.68 121.73 3gxm s LEU 288 Ca 0.11 -0.34 0.29 0.00 -1.03 0.00 0.00 54.13 53.16 3gxm s LEU 288 Cb 0.05 -1.94 1.36 0.00 0.03 0.00 0.00 46.19 45.68 3gxm s LEU 288 CO 0.08 0.16 1.92 -0.81 0.23 0.00 0.00 176.35 177.94 3gxm n PRO 289 N 0.54 1.07 -0.03 1.29 -0.04 -1.26 -4.61 135.00 131.95 3gxm n PRO 289 Ca -0.12 -0.39 -0.08 0.00 -0.04 0.00 0.00 63.50 62.87 3gxm n PRO 289 Cb 0.53 -1.49 -0.02 0.00 -0.04 0.00 0.00 33.50 32.47 3gxm n PRO 289 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3gxm h HIS 290 N 0.95 -0.50 -1.00 0.54 2.76 -1.93 -0.90 115.15 115.07 3gxm h HIS 290 Ca 0.00 0.03 0.18 0.00 -2.20 0.00 0.00 60.37 58.38 3gxm h HIS 290 Cb 0.30 0.25 -0.10 0.00 1.55 0.00 0.00 27.41 29.41 3gxm h HIS 290 CO 0.00 -0.27 0.62 -1.49 -1.30 0.00 0.00 177.93 175.49 3gxm h TRP 291 N -0.21 1.05 -0.21 5.26 4.06 -1.78 -1.14 115.95 122.99 3gxm h TRP 291 Ca 0.12 0.03 -0.15 0.00 2.06 0.00 0.00 58.89 60.95 3gxm h TRP 291 Cb 0.39 -0.32 0.00 0.00 -1.00 0.00 0.00 29.16 28.24 3gxm h TRP 291 CO -0.34 0.27 -0.47 0.00 -3.56 0.00 0.00 178.44 174.34 3gxm h ALA 292 N 1.63 0.34 0.02 1.49 0.00 -1.45 -2.47 119.26 118.81 3gxm h ALA 292 Ca 0.56 -0.48 0.03 0.00 0.00 0.00 0.00 54.91 55.02 3gxm h ALA 292 Cb 0.85 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 3gxm h ALA 292 CO -0.35 0.49 -0.30 0.87 0.00 0.00 0.00 179.25 179.97 3gxm h LYS 293 N 0.39 -0.44 -0.57 0.00 1.57 -0.88 0.46 116.57 117.10 3gxm h LYS 293 Ca -0.00 0.03 0.07 0.00 -1.87 0.00 0.00 60.65 58.87 3gxm h LYS 293 Cb 1.08 0.10 -0.06 0.00 0.08 0.00 0.00 32.23 33.44 3gxm h LYS 293 CO 0.10 -0.29 0.26 0.28 -0.57 0.00 0.00 179.45 179.24 3gxm h VAL 294 N -0.45 0.89 0.00 0.50 2.07 -1.18 -1.32 116.25 116.76 3gxm h VAL 294 Ca 0.06 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 3gxm h VAL 294 Cb 0.53 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 3gxm h VAL 294 CO -0.24 0.09 -0.05 0.58 0.02 0.00 0.00 177.57 177.97 3gxm h VAL 295 N 0.49 1.69 0.00 2.57 2.07 -1.34 -3.39 116.25 118.35 3gxm h VAL 295 Ca 0.27 -2.09 0.00 0.00 0.82 0.00 0.00 66.70 65.70 3gxm h VAL 295 Cb 0.23 3.10 0.00 0.00 -1.52 0.00 0.00 31.29 33.11 3gxm h VAL 295 CO -0.22 0.55 -0.67 -0.07 0.02 0.00 0.00 177.57 177.18 3gxm h LEU 296 N -0.84 0.00 -0.93 2.57 3.38 -0.04 -2.97 115.31 116.49 3gxm h LEU 296 Ca -0.01 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.76 3gxm h LEU 296 Cb 0.92 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.67 3gxm h LEU 296 CO 0.01 0.10 0.00 0.35 0.09 0.00 0.00 178.44 178.99 3gxm n THR 297 N -2.17 0.36 -3.85 0.22 -2.24 -0.51 -4.48 114.28 101.61 3gxm n THR 297 Ca 0.03 -0.31 -0.34 0.00 -2.27 0.00 0.00 64.05 61.15 3gxm n THR 297 Cb 0.45 0.09 -0.12 0.00 -2.10 0.00 0.00 70.33 68.65 3gxm n THR 297 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3gxm s ASP 298 N -0.92 5.00 0.64 3.42 -1.08 -1.12 -5.00 116.67 117.62 3gxm s ASP 298 Ca 0.15 -2.35 0.29 0.00 -0.52 0.00 0.00 52.55 50.13 3gxm s ASP 298 Cb 0.08 -1.76 1.57 0.00 -1.46 0.00 0.00 42.92 41.36 3gxm s ASP 298 CO 0.10 -0.43 1.92 1.55 0.52 0.00 0.00 175.17 178.82 3gxm h PRO 299 N 7.54 0.00 -0.18 4.34 0.13 -1.84 0.17 132.00 142.16 3gxm h PRO 299 Ca -0.08 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.92 3gxm h PRO 299 Cb 1.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.12 3gxm h PRO 299 CO 0.65 0.00 -0.44 1.49 -0.23 0.00 0.00 178.00 179.48 3gxm h GLU 300 N 0.00 0.43 0.14 0.86 4.57 -1.94 -2.64 114.58 116.00 3gxm h GLU 300 Ca 0.06 -0.22 -0.34 0.00 -1.18 0.00 0.00 59.36 57.68 3gxm h GLU 300 Cb 0.81 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.40 3gxm h GLU 300 CO -0.00 0.79 -1.76 0.00 -1.18 0.00 0.00 179.01 176.86 3gxm h ALA 301 N 1.18 0.30 -0.99 2.92 0.00 -0.96 -3.40 119.26 118.32 3gxm h ALA 301 Ca 0.03 -1.22 0.02 0.00 0.00 0.00 0.00 54.91 53.74 3gxm h ALA 301 Cb 0.91 0.48 -0.05 0.00 0.00 0.00 0.00 17.79 19.13 3gxm h ALA 301 CO 0.08 1.16 0.65 0.00 0.00 0.00 0.00 179.25 181.14 3gxm h ALA 302 N 0.26 1.32 -0.21 0.00 0.00 -1.28 -2.39 119.26 116.96 3gxm h ALA 302 Ca -0.34 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 54.58 3gxm h ALA 302 Cb 2.06 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 19.46 3gxm h ALA 302 CO 0.15 0.61 0.16 1.57 0.00 0.00 0.00 179.25 181.74 3gxm h LYS 303 N 1.30 0.00 0.00 0.00 2.10 -1.67 -2.29 116.57 116.01 3gxm h LYS 303 Ca 0.38 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.03 3gxm h LYS 303 Cb -0.08 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.25 3gxm h LYS 303 CO -0.10 0.00 -0.76 0.66 -2.00 0.00 0.00 179.45 177.25 3gxm n TYR 304 N -4.31 0.04 -3.41 0.07 0.53 -0.91 -4.86 117.16 104.31 3gxm n TYR 304 Ca 0.02 0.01 -0.44 0.00 -1.02 0.00 0.00 57.90 56.47 3gxm n TYR 304 Cb 0.31 -0.19 -0.08 0.00 -1.03 0.00 0.00 39.34 38.34 3gxm n TYR 304 CO 0.00 0.00 0.00 0.08 -1.02 0.00 0.00 176.86 175.92 3gxm s VAL 305 N -3.03 5.24 0.25 -0.72 1.01 -0.86 -4.44 120.40 117.84 3gxm s VAL 305 Ca 0.09 -0.92 0.03 0.00 0.00 0.00 0.00 61.98 61.18 3gxm s VAL 305 Cb 0.16 -4.06 -0.01 0.00 0.00 0.00 0.00 36.38 32.47 3gxm s VAL 305 CO 0.78 -0.49 1.60 -0.74 0.00 0.00 0.00 175.10 176.25 3gxm h HIS 306 N 8.71 0.43 -2.68 5.22 2.76 -1.52 -3.49 115.15 124.58 3gxm h HIS 306 Ca -0.28 -0.14 0.12 0.00 -2.20 0.00 0.00 60.37 57.87 3gxm h HIS 306 Cb 1.11 -0.09 -0.06 0.00 1.55 0.00 0.00 27.41 29.93 3gxm h HIS 306 CO 0.61 0.78 0.37 0.20 -1.30 0.00 0.00 177.93 178.58 3gxm s GLY 307 N -4.21 -0.11 -0.21 5.26 0.00 -1.07 -3.37 107.32 103.61 3gxm s GLY 307 Ca -0.05 -0.15 -0.03 0.00 0.00 0.00 0.00 44.72 44.49 3gxm s GLY 307 CO 0.80 0.06 -0.06 -0.42 0.00 0.00 0.00 173.10 173.47 3gxm s ILE 308 N -3.44 3.20 -0.12 0.90 1.01 0.26 -1.06 121.20 121.95 3gxm s ILE 308 Ca 0.12 -0.55 -0.14 0.00 0.00 0.00 0.00 60.65 60.09 3gxm s ILE 308 Cb -0.04 -2.44 -0.05 0.00 0.01 0.00 0.00 42.46 39.94 3gxm s ILE 308 CO 0.05 0.44 0.32 0.00 0.00 0.00 0.00 174.94 175.75 3gxm s ALA 309 N 1.45 3.63 0.05 9.38 0.00 0.10 -1.06 121.76 135.32 3gxm s ALA 309 Ca 0.06 -0.40 0.07 0.00 0.00 0.00 0.00 51.96 51.69 3gxm s ALA 309 Cb -0.14 -2.37 -0.03 0.00 0.00 0.00 0.00 23.12 20.58 3gxm s ALA 309 CO -0.05 0.22 -0.21 0.14 0.00 0.00 0.00 175.76 175.86 3gxm s VAL 310 N 0.01 1.70 0.11 0.00 -7.23 0.08 -0.10 120.40 114.96 3gxm s VAL 310 Ca 0.19 -1.24 0.04 0.00 -1.81 0.00 0.00 61.98 59.16 3gxm s VAL 310 Cb -0.14 -1.48 -0.04 0.00 0.56 0.00 0.00 36.38 35.28 3gxm s VAL 310 CO 0.06 0.19 0.07 -1.00 -0.31 0.00 0.00 175.10 174.11 3gxm s HIS 311 N -0.83 3.10 -0.13 2.82 3.76 0.69 -1.15 115.29 123.54 3gxm s HIS 311 Ca 0.08 0.01 -0.07 0.00 -0.15 0.00 0.00 55.06 54.93 3gxm s HIS 311 Cb -0.09 -1.56 0.05 0.00 1.11 0.00 0.00 32.58 32.10 3gxm s HIS 311 CO 0.02 0.51 0.31 -0.46 -0.85 0.00 0.00 174.74 174.27 3gxm s TRP 312 N -1.47 -0.45 -0.47 1.40 -0.00 0.43 -3.29 118.94 115.09 3gxm s TRP 312 Ca 0.29 1.00 -0.26 0.00 -0.00 0.00 0.00 56.10 57.12 3gxm s TRP 312 Cb -0.11 0.14 0.03 0.00 -0.00 0.00 0.00 33.47 33.52 3gxm s TRP 312 CO 0.21 -0.28 0.99 0.71 -0.00 0.00 0.00 176.95 178.58 3gxm s TYR 313 N 1.37 2.88 -0.47 5.86 1.51 -1.26 -2.67 117.35 124.58 3gxm s TYR 313 Ca -0.09 0.47 0.26 0.00 -1.01 0.00 0.00 57.07 56.70 3gxm s TYR 313 Cb -0.10 -4.12 0.95 0.00 -0.11 0.00 0.00 41.96 38.58 3gxm s TYR 313 CO -0.10 -1.16 1.76 -0.07 -1.11 0.00 0.00 175.55 174.87 3gxm h LEU 314 N 10.79 0.00 -0.25 -1.29 3.38 -1.55 -2.80 115.31 123.58 3gxm h LEU 314 Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 3gxm h LEU 314 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 3gxm h LEU 314 CO 1.06 0.00 0.00 0.47 0.09 0.00 0.00 178.44 180.06 3gxm n ASP 315 N -2.42 0.17 -3.49 -0.43 8.00 -1.26 -4.75 116.55 112.38 3gxm n ASP 315 Ca 0.03 0.55 -0.12 0.00 0.71 0.00 0.00 54.79 55.97 3gxm n ASP 315 Cb 0.32 -0.59 0.02 0.00 -0.02 0.00 0.00 41.12 40.85 3gxm n ASP 315 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3gxm n PHE 316 N -1.70 -1.85 -3.34 1.24 3.01 -1.06 -5.03 117.46 108.73 3gxm n PHE 316 Ca 0.02 -1.14 -0.14 0.00 1.01 0.00 0.00 57.45 57.20 3gxm n PHE 316 Cb 0.13 -0.26 -0.07 0.00 -0.01 0.00 0.00 39.48 39.28 3gxm n PHE 316 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3gxm s LEU 317 N 0.00 -0.32 -0.13 4.37 1.43 -1.26 -5.05 118.68 117.73 3gxm s LEU 317 Ca 0.24 -1.35 -0.07 0.00 -1.03 0.00 0.00 54.13 51.92 3gxm s LEU 317 Cb -0.02 0.78 -0.04 0.00 0.03 0.00 0.00 46.19 46.95 3gxm s LEU 317 CO 0.15 -0.26 0.12 0.00 0.23 0.00 0.00 176.35 176.60 3gxm s ALA 318 N 1.61 3.80 0.54 4.21 0.00 -1.26 -5.11 121.76 125.55 3gxm s ALA 318 Ca 0.16 -0.66 -0.18 0.00 0.00 0.00 0.00 51.96 51.28 3gxm s ALA 318 Cb -0.14 -1.94 -0.06 0.00 0.00 0.00 0.00 23.12 20.98 3gxm s ALA 318 CO -0.07 0.56 1.05 -1.25 0.00 0.00 0.00 175.76 176.05 3gxm s PRO 319 N -0.85 3.55 -0.19 0.00 0.04 -1.26 -4.99 135.00 131.30 3gxm s PRO 319 Ca 0.14 1.28 0.12 0.00 0.04 0.00 0.00 61.00 62.58 3gxm s PRO 319 Cb -0.12 -2.06 -0.23 0.00 0.04 0.00 0.00 34.50 32.13 3gxm s PRO 319 CO 0.03 -0.63 0.10 0.00 0.04 0.00 0.00 177.00 176.54 3gxm n ALA 320 N -1.52 1.44 -0.07 8.56 0.00 -1.26 -4.36 120.51 123.31 3gxm n ALA 320 Ca 0.09 -1.15 -0.08 0.00 0.00 0.00 0.00 53.44 52.30 3gxm n ALA 320 Cb 0.53 -0.29 -0.01 0.00 0.00 0.00 0.00 19.45 19.68 3gxm n ALA 320 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3gxm h LYS 321 N 0.00 0.24 -0.72 0.00 3.64 -1.95 -0.80 116.57 116.98 3gxm h LYS 321 Ca -0.51 -0.01 0.21 0.00 -1.27 0.00 0.00 60.65 59.06 3gxm h LYS 321 Cb 2.12 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 33.85 3gxm h LYS 321 CO 0.01 0.16 0.63 0.00 -2.27 0.00 0.00 179.45 177.98 3gxm h ALA 322 N 1.16 2.56 0.00 5.00 0.00 -1.98 -2.07 119.26 123.94 3gxm h ALA 322 Ca 0.12 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3gxm h ALA 322 Cb 0.07 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3gxm h ALA 322 CO -0.10 -1.00 -0.02 0.25 0.00 0.00 0.00 179.25 178.37 3gxm n THR 323 N -3.91 0.24 0.03 0.00 -2.24 -0.99 -4.42 114.28 102.99 3gxm n THR 323 Ca 0.15 0.12 -0.02 0.00 -2.27 0.00 0.00 64.05 62.02 3gxm n THR 323 Cb 0.89 -1.17 0.24 0.00 -2.10 0.00 0.00 70.33 68.19 3gxm n THR 323 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3gxm h LEU 324 N -0.02 0.43 0.21 3.22 3.38 -1.34 -2.11 115.31 119.09 3gxm h LEU 324 Ca 0.00 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 3gxm h LEU 324 Cb 0.02 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.66 3gxm h LEU 324 CO 0.00 0.65 -0.10 1.23 0.09 0.00 0.00 178.44 180.31 3gxm h GLY 325 N 0.97 -0.30 1.20 0.83 0.00 -1.20 -1.98 103.07 102.59 3gxm h GLY 325 Ca 0.07 0.11 0.01 0.00 0.00 0.00 0.00 47.33 47.51 3gxm h GLY 325 CO 0.04 -0.11 0.53 -2.09 0.00 0.00 0.00 176.54 174.91 3gxm h GLU 326 N -0.90 1.07 -0.05 4.80 4.57 -1.47 0.14 114.58 122.74 3gxm h GLU 326 Ca -0.03 -0.07 -0.00 0.00 -1.18 0.00 0.00 59.36 58.08 3gxm h GLU 326 Cb 0.50 -0.24 -0.00 0.00 -0.16 0.00 0.00 28.75 28.85 3gxm h GLU 326 CO 0.05 0.71 0.03 1.15 -1.18 0.00 0.00 179.01 179.77 3gxm h THR 327 N 1.10 1.06 -0.67 0.32 2.02 -1.41 0.89 112.91 116.22 3gxm h THR 327 Ca 0.30 -0.18 0.01 0.00 0.77 0.00 0.00 66.41 67.30 3gxm h THR 327 Cb -0.12 1.10 -0.04 0.00 -1.74 0.00 0.00 68.15 67.36 3gxm h THR 327 CO -0.06 0.05 0.44 -0.74 0.37 0.00 0.00 175.52 175.58 3gxm h HIS 328 N 0.01 0.83 -0.68 3.16 -0.00 -0.91 0.93 115.15 118.48 3gxm h HIS 328 Ca 0.02 0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 60.37 3gxm h HIS 328 Cb 0.06 -0.28 -0.03 0.00 -0.00 0.00 0.00 27.41 27.16 3gxm h HIS 328 CO -0.05 0.51 0.27 0.07 -0.00 0.00 0.00 177.93 178.73 3gxm h ARG 329 N 0.89 1.02 -0.51 5.26 0.11 -0.30 0.03 114.38 120.88 3gxm h ARG 329 Ca 0.25 -0.19 -0.09 0.00 0.10 0.00 0.00 59.98 60.06 3gxm h ARG 329 Cb -0.08 -0.17 -0.02 0.00 1.11 0.00 0.00 29.97 30.81 3gxm h ARG 329 CO -0.06 0.85 -0.03 -0.07 0.10 0.00 0.00 179.97 180.76 3gxm h LEU 330 N 0.97 0.86 -5.97 0.08 3.38 -0.35 -3.37 115.31 110.92 3gxm h LEU 330 Ca 0.23 -0.23 -0.53 0.00 0.09 0.00 0.00 57.88 57.43 3gxm h LEU 330 Cb 0.21 -0.23 -0.40 0.00 0.09 0.00 0.00 40.66 40.33 3gxm h LEU 330 CO -0.02 0.94 -1.07 0.49 0.09 0.00 0.00 178.44 178.87 3gxm n PHE 331 N -4.19 0.49 0.27 1.13 3.01 0.28 -4.98 117.46 113.48 3gxm n PHE 331 Ca 0.02 -3.74 0.18 0.00 1.01 0.00 0.00 57.45 54.92 3gxm n PHE 331 Cb 0.33 -0.40 0.94 0.00 -0.01 0.00 0.00 39.48 40.34 3gxm n PHE 331 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3gxm h PRO 332 N 3.56 0.00 -0.10 -1.08 0.13 -1.16 -1.96 132.00 131.37 3gxm h PRO 332 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3gxm h PRO 332 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 3gxm h PRO 332 CO 0.53 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.39 3gxm n ASN 333 N -3.51 2.34 -4.37 1.44 4.13 -1.26 -4.76 115.26 109.27 3gxm n ASN 333 Ca -0.01 -1.78 -0.39 0.00 1.68 0.00 0.00 54.58 54.08 3gxm n ASN 333 Cb 0.22 -0.06 -0.12 0.00 -1.54 0.00 0.00 39.78 38.29 3gxm n ASN 333 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 3gxm s THR 334 N -1.89 4.32 0.50 3.41 2.01 -0.74 -5.03 115.64 118.21 3gxm s THR 334 Ca 0.34 -0.74 -0.23 0.00 0.31 0.00 0.00 61.69 61.37 3gxm s THR 334 Cb 0.20 -3.31 -0.07 0.00 0.01 0.00 0.00 72.50 69.33 3gxm s THR 334 CO 0.31 -0.07 1.32 1.15 -0.69 0.00 0.00 174.62 176.65 3gxm n MET 335 N 4.93 1.82 -3.82 4.92 0.00 -1.22 -4.69 117.12 119.07 3gxm n MET 335 Ca -0.13 0.66 -0.35 0.00 0.00 0.00 0.00 57.70 57.88 3gxm n MET 335 Cb 0.47 -2.51 -0.09 0.00 0.00 0.00 0.00 33.22 31.09 3gxm n MET 335 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 3gxm s LEU 336 N -2.71 4.04 -0.06 3.17 1.43 -1.26 -0.57 118.68 122.71 3gxm s LEU 336 Ca 0.67 0.15 -0.02 0.00 -1.03 0.00 0.00 54.13 53.90 3gxm s LEU 336 Cb -0.45 -2.04 0.04 0.00 0.03 0.00 0.00 46.19 43.77 3gxm s LEU 336 CO 0.53 0.16 0.12 0.12 0.23 0.00 0.00 176.35 177.51 3gxm s PHE 337 N 0.48 -0.11 -0.33 0.29 5.36 -0.22 -0.31 117.98 123.14 3gxm s PHE 337 Ca 0.06 0.45 -0.23 0.00 -0.96 0.00 0.00 56.93 56.25 3gxm s PHE 337 Cb -0.12 -0.22 0.00 0.00 -0.34 0.00 0.00 43.02 42.34 3gxm s PHE 337 CO -0.00 -0.20 0.75 0.00 -1.46 0.00 0.00 175.22 174.31 3gxm s ALA 338 N 1.69 3.49 -0.55 11.12 0.00 -0.97 -0.74 121.76 135.80 3gxm s ALA 338 Ca -0.03 -0.57 0.19 0.00 0.00 0.00 0.00 51.96 51.55 3gxm s ALA 338 Cb -0.12 -3.28 -0.25 0.00 0.00 0.00 0.00 23.12 19.47 3gxm s ALA 338 CO -0.05 -1.29 0.66 -1.13 0.00 0.00 0.00 175.76 173.95 3gxm n SER 339 N 6.21 0.74 -3.64 0.00 3.41 -0.30 -0.64 113.62 119.40 3gxm n SER 339 Ca 0.02 -0.57 -0.05 0.00 -0.26 0.00 0.00 58.87 58.02 3gxm n SER 339 Cb 0.48 1.36 -0.06 0.00 -0.26 0.00 0.00 64.21 65.73 3gxm n SER 339 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3gxm s GLU 340 N -3.03 0.64 0.05 4.33 2.12 -1.20 -4.65 118.70 116.97 3gxm s GLU 340 Ca 0.01 1.26 0.04 0.00 0.36 0.00 0.00 54.97 56.64 3gxm s GLU 340 Cb 0.14 0.37 -0.03 0.00 0.26 0.00 0.00 34.13 34.87 3gxm s GLU 340 CO 0.80 -0.16 -0.11 0.00 -0.54 0.00 0.00 175.26 175.24 3gxm s ALA 341 N 2.03 0.92 0.18 6.30 0.00 -0.86 -0.43 121.76 129.90 3gxm s ALA 341 Ca -0.09 -0.86 -0.17 0.00 0.00 0.00 0.00 51.96 50.85 3gxm s ALA 341 Cb -0.07 -0.06 0.03 0.00 0.00 0.00 0.00 23.12 23.02 3gxm s ALA 341 CO -0.19 0.10 0.49 0.00 0.00 0.00 0.00 175.76 176.16 3gxm s VAL 343 N -3.87 1.51 0.00 0.00 -7.23 -1.26 -1.17 120.40 108.37 3gxm s VAL 343 Ca 0.09 -2.10 0.00 0.00 -1.81 0.00 0.00 61.98 58.16 3gxm s VAL 343 Cb -0.00 -2.45 0.00 0.00 0.56 0.00 0.00 36.38 34.48 3gxm s VAL 343 CO -0.04 -0.29 0.00 0.61 -0.31 0.00 0.00 175.10 175.07 3gxm n GLY 344 N -0.56 0.89 0.00 2.32 0.00 -1.26 -1.90 105.19 104.68 3gxm n GLY 344 Ca -0.05 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.00 3gxm n GLY 344 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3gxm n SER 345 N 0.00 0.00 -4.66 1.61 7.64 -1.26 -4.33 113.62 112.63 3gxm n SER 345 Ca 0.00 0.09 -0.47 0.00 1.01 0.00 0.00 58.87 59.50 3gxm n SER 345 Cb 0.00 -0.21 -0.05 0.00 -1.01 0.00 0.00 64.21 62.94 3gxm n SER 345 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 3gxm n LYS 346 N -1.21 1.94 -0.05 1.43 3.00 -1.26 -4.89 118.16 117.12 3gxm n LYS 346 Ca 0.03 0.70 -0.08 0.00 -0.00 0.00 0.00 58.31 58.97 3gxm n LYS 346 Cb 0.04 -2.45 -0.14 0.00 0.00 0.00 0.00 35.03 32.48 3gxm n LYS 346 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.40 179.37 3gxm n PHE 347 N 3.53 0.57 0.07 5.64 -1.74 -1.26 -3.88 117.46 120.39 3gxm n PHE 347 Ca 0.18 0.21 0.01 0.00 -0.56 0.00 0.00 57.45 57.29 3gxm n PHE 347 Cb 0.27 -1.09 -0.04 0.00 1.52 0.00 0.00 39.48 40.13 3gxm n PHE 347 CO 0.00 0.00 0.00 0.11 -0.56 0.00 0.00 176.76 176.31 3gxm h TRP 348 N 0.00 0.00 -2.99 2.97 0.09 -1.98 -3.44 115.95 110.59 3gxm h TRP 348 Ca -0.38 0.00 -0.61 0.00 0.09 0.00 0.00 58.89 57.99 3gxm h TRP 348 Cb 2.05 0.00 -0.05 0.00 0.08 0.00 0.00 29.16 31.24 3gxm h TRP 348 CO 0.00 0.53 -0.25 -1.21 0.09 0.00 0.00 178.44 177.60 3gxm s GLU 349 N -2.95 3.81 0.00 0.12 2.02 -1.25 -5.11 118.70 115.34 3gxm s GLU 349 Ca -0.00 0.27 0.00 0.00 0.02 0.00 0.00 54.97 55.25 3gxm s GLU 349 Cb 0.08 -3.15 0.00 0.00 0.10 0.00 0.00 34.13 31.16 3gxm s GLU 349 CO 0.79 0.67 0.00 0.00 0.02 0.00 0.00 175.26 176.74 3gxm n GLN 350 N 1.57 -1.03 -0.04 1.61 10.64 -1.26 -4.55 117.38 124.32 3gxm n GLN 350 Ca -0.13 0.00 -0.19 0.00 -1.83 0.00 0.00 57.00 54.85 3gxm n GLN 350 Cb 0.53 0.00 -0.13 0.00 -0.86 0.00 0.00 30.24 29.78 3gxm n GLN 350 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.06 176.00 3gxm h SER 351 N -1.33 0.17 -3.64 2.61 0.02 -1.85 -3.43 113.55 106.09 3gxm h SER 351 Ca 0.00 -0.83 -0.69 0.00 -0.84 0.00 0.00 61.79 59.43 3gxm h SER 351 Cb 0.00 -0.05 -0.28 0.00 0.14 0.00 0.00 62.40 62.21 3gxm h SER 351 CO 0.00 1.34 -0.62 -0.69 -1.14 0.00 0.00 176.83 175.72 3gxm s VAL 352 N -2.35 3.82 -0.80 2.27 1.01 -1.26 -1.95 120.40 121.13 3gxm s VAL 352 Ca -0.21 -0.97 -0.10 0.00 0.00 0.00 0.00 61.98 60.71 3gxm s VAL 352 Cb 0.02 -3.08 0.21 0.00 0.00 0.00 0.00 36.38 33.52 3gxm s VAL 352 CO 0.71 -0.07 0.70 -0.13 0.00 0.00 0.00 175.10 176.31 3gxm s ARG 353 N 1.44 3.34 -0.25 2.72 0.52 -1.26 -5.01 118.95 120.44 3gxm s ARG 353 Ca -0.00 -2.60 -0.32 0.00 -0.52 0.00 0.00 55.73 52.29 3gxm s ARG 353 Cb -0.19 -4.22 -0.09 0.00 0.52 0.00 0.00 34.95 30.98 3gxm s ARG 353 CO 0.02 -1.25 2.15 1.28 0.02 0.00 0.00 175.30 177.52 3gxm n LEU 354 N 3.63 2.79 0.00 2.53 4.77 -1.26 -2.03 117.00 127.42 3gxm n LEU 354 Ca 0.13 0.43 0.00 0.00 -0.03 0.00 0.00 56.01 56.54 3gxm n LEU 354 Cb 0.43 -1.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.13 3gxm n LEU 354 CO 0.34 -0.60 0.00 0.61 -1.33 0.00 0.00 177.39 176.41 3gxm n GLY 355 N 5.89 0.92 3.60 -0.72 0.00 -1.26 -4.31 105.19 109.30 3gxm n GLY 355 Ca 0.34 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.93 3gxm n GLY 355 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3gxm s SER 356 N -2.08 5.87 0.32 1.61 0.15 -0.86 -0.99 113.70 117.73 3gxm s SER 356 Ca 0.00 1.26 0.14 0.00 0.70 0.00 0.00 55.95 58.05 3gxm s SER 356 Cb 0.00 -2.53 0.53 0.00 -1.71 0.00 0.00 66.02 62.32 3gxm s SER 356 CO 0.00 -1.73 1.69 -0.25 1.20 0.00 0.00 173.24 174.15 3gxm h TRP 357 N 12.92 0.00 -0.90 3.44 2.91 -1.91 -2.99 115.95 129.41 3gxm h TRP 357 Ca -0.33 0.00 -0.02 0.00 1.13 0.00 0.00 58.89 59.67 3gxm h TRP 357 Cb 1.17 0.00 -0.04 0.00 -0.51 0.00 0.00 29.16 29.77 3gxm h TRP 357 CO 0.96 0.49 0.50 0.22 -1.03 0.00 0.00 178.44 179.58 3gxm h ASP 358 N 0.00 1.12 1.24 2.65 3.58 -1.98 -1.38 116.42 121.65 3gxm h ASP 358 Ca -0.00 -0.10 -0.02 0.00 0.42 0.00 0.00 57.03 57.33 3gxm h ASP 358 Cb 0.96 -0.29 -0.00 0.00 1.72 0.00 0.00 39.33 41.72 3gxm h ASP 358 CO 0.06 0.90 -0.11 0.03 -2.88 0.00 0.00 179.24 177.25 3gxm h ARG 359 N 1.26 0.00 0.12 0.28 3.08 -1.94 -1.04 114.38 116.14 3gxm h ARG 359 Ca 0.32 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.36 3gxm h ARG 359 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.07 3gxm h ARG 359 CO -0.05 0.11 -0.06 0.78 -1.07 0.00 0.00 179.97 179.68 3gxm h GLY 360 N 2.59 -0.17 1.16 0.04 0.00 -1.21 -3.03 103.07 102.47 3gxm h GLY 360 Ca -0.00 0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.37 3gxm h GLY 360 CO 0.01 -0.06 0.42 -0.33 0.00 0.00 0.00 176.54 176.58 3gxm h MET 361 N -0.55 1.09 -0.52 4.80 2.86 -0.99 -2.51 114.93 119.12 3gxm h MET 361 Ca -0.02 -0.13 0.10 0.00 -2.06 0.00 0.00 59.70 57.60 3gxm h MET 361 Cb 0.44 -0.21 -0.09 0.00 0.06 0.00 0.00 31.60 31.79 3gxm h MET 361 CO 0.03 0.81 -0.02 1.96 1.06 0.00 0.00 176.91 180.75 3gxm h GLN 362 N 1.10 0.10 -0.06 1.72 4.20 -1.22 -0.69 115.11 120.26 3gxm h GLN 362 Ca 0.28 -0.01 0.02 0.00 0.06 0.00 0.00 58.65 59.00 3gxm h GLN 362 Cb 0.04 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 3gxm h GLN 362 CO -0.04 0.06 -0.04 1.88 -0.67 0.00 0.00 178.83 180.02 3gxm h TYR 363 N 0.10 -0.09 0.00 2.96 -1.99 -1.33 -2.12 116.97 114.49 3gxm h TYR 363 Ca 0.27 0.01 -0.19 0.00 2.00 0.00 0.00 58.73 60.81 3gxm h TYR 363 Cb 0.41 0.05 -0.03 0.00 2.00 0.00 0.00 36.73 39.16 3gxm h TYR 363 CO -0.34 -0.06 -0.92 0.66 -0.00 0.00 0.00 178.16 177.49 3gxm h SER 364 N -0.05 0.00 0.33 3.88 4.64 -1.30 -1.37 113.55 119.69 3gxm h SER 364 Ca 0.04 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.27 3gxm h SER 364 Cb 0.10 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.18 3gxm h SER 364 CO -0.08 0.92 -0.40 -0.74 -0.87 0.00 0.00 176.83 175.66 3gxm h HIS 365 N 0.00 0.11 0.15 4.77 -0.00 -1.16 -1.60 115.15 117.40 3gxm h HIS 365 Ca -0.01 -0.03 -0.30 0.00 -0.00 0.00 0.00 60.37 60.03 3gxm h HIS 365 Cb 1.67 -0.02 0.03 0.00 -0.00 0.00 0.00 27.41 29.09 3gxm h HIS 365 CO 0.00 0.48 -1.27 1.03 -0.00 0.00 0.00 177.93 178.17 3gxm h SER 366 N 0.08 0.86 -0.48 3.26 0.87 -1.16 -2.44 113.55 114.54 3gxm h SER 366 Ca 0.01 -0.84 0.03 0.00 -1.23 0.00 0.00 61.79 59.75 3gxm h SER 366 Cb 0.74 -0.27 -0.04 0.00 -0.44 0.00 0.00 62.40 62.39 3gxm h SER 366 CO 0.06 1.63 0.26 0.40 -0.53 0.00 0.00 176.83 178.64 3gxm h ILE 367 N 0.23 1.00 -0.31 2.23 2.04 -1.13 -1.78 117.51 119.78 3gxm h ILE 367 Ca -0.20 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.47 3gxm h ILE 367 Cb 1.95 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 38.45 3gxm h ILE 367 CO 0.24 0.09 0.15 0.40 0.00 0.00 0.00 178.15 179.03 3gxm h ILE 368 N 0.52 1.16 -0.82 -0.67 2.04 -1.32 0.34 117.51 118.75 3gxm h ILE 368 Ca 0.20 -0.45 0.08 0.00 1.00 0.00 0.00 64.86 65.69 3gxm h ILE 368 Cb 0.07 0.89 -0.05 0.00 -0.74 0.00 0.00 36.82 36.98 3gxm h ILE 368 CO -0.12 0.16 0.54 0.74 0.00 0.00 0.00 178.15 179.47 3gxm h THR 369 N 0.36 1.00 -0.11 -0.27 2.02 -1.33 0.32 112.91 114.90 3gxm h THR 369 Ca 0.11 -0.29 -0.17 0.00 0.77 0.00 0.00 66.41 66.82 3gxm h THR 369 Cb 0.12 0.09 0.01 0.00 -1.74 0.00 0.00 68.15 66.63 3gxm h THR 369 CO -0.01 0.15 -0.61 0.78 0.37 0.00 0.00 175.52 176.20 3gxm h ASN 370 N 0.85 0.72 0.35 4.18 2.35 -0.69 -2.13 115.58 121.21 3gxm h ASN 370 Ca 0.36 -0.65 -0.09 0.00 -0.55 0.00 0.00 56.30 55.38 3gxm h ASN 370 Cb 0.32 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 3gxm h ASN 370 CO -0.14 1.26 -0.39 -0.07 -1.65 0.00 0.00 177.43 176.44 3gxm h LEU 371 N 0.24 0.06 -0.55 1.61 3.38 -0.59 -0.49 115.31 118.97 3gxm h LEU 371 Ca -0.05 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3gxm h LEU 371 Cb 1.25 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.99 3gxm h LEU 371 CO 0.13 0.45 0.00 -0.07 0.09 0.00 0.00 178.44 179.03 3gxm h LEU 372 N 0.05 0.00 -3.98 1.67 3.38 -0.18 -3.29 115.31 112.96 3gxm h LEU 372 Ca 0.00 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.42 3gxm h LEU 372 Cb 0.71 0.00 -0.43 0.00 0.09 0.00 0.00 40.66 41.03 3gxm h LEU 372 CO 0.05 0.00 -0.80 -1.22 0.09 0.00 0.00 178.44 176.56 3gxm n TYR 373 N -2.54 2.90 -0.79 1.13 4.02 -0.82 -4.98 117.16 116.09 3gxm n TYR 373 Ca 0.03 -2.46 0.00 0.00 -0.01 0.00 0.00 57.90 55.47 3gxm n TYR 373 Cb 0.35 -0.27 0.00 0.00 -0.02 0.00 0.00 39.34 39.40 3gxm n TYR 373 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 3gxm n HIS 374 N -0.65 0.00 -2.19 -0.72 8.25 -1.12 -4.67 115.22 114.14 3gxm n HIS 374 Ca 0.42 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.47 3gxm n HIS 374 Cb 0.89 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.97 3gxm n HIS 374 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3gxm s VAL 375 N -3.74 3.13 -0.81 1.59 1.01 -0.24 -4.44 120.40 116.90 3gxm s VAL 375 Ca 0.00 0.93 0.20 0.00 0.00 0.00 0.00 61.98 63.11 3gxm s VAL 375 Cb 0.00 -3.59 -0.24 0.00 0.00 0.00 0.00 36.38 32.55 3gxm s VAL 375 CO 0.00 0.14 0.80 1.33 0.00 0.00 0.00 175.10 177.37 3gxm n VAL 376 N 2.59 0.00 -3.58 2.92 0.24 0.57 -4.44 118.33 116.63 3gxm n VAL 376 Ca 0.06 -0.10 -0.10 0.00 -2.04 0.00 0.00 64.34 62.17 3gxm n VAL 376 Cb 0.42 0.84 -0.02 0.00 -1.47 0.00 0.00 33.84 33.62 3gxm n VAL 376 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3gxm s GLY 377 N -3.16 -0.43 -0.19 7.63 0.00 -1.26 0.13 107.32 110.05 3gxm s GLY 377 Ca 0.05 0.27 -0.08 0.00 0.00 0.00 0.00 44.72 44.96 3gxm s GLY 377 CO 0.84 0.09 0.42 0.86 0.00 0.00 0.00 173.10 175.31 3gxm s TRP 378 N -3.73 -0.74 -0.06 1.90 -0.00 -0.74 -2.30 118.94 113.29 3gxm s TRP 378 Ca 0.05 1.45 0.04 0.00 -0.00 0.00 0.00 56.10 57.65 3gxm s TRP 378 Cb -0.03 0.29 -0.00 0.00 -0.00 0.00 0.00 33.47 33.73 3gxm s TRP 378 CO -0.06 -0.44 -0.19 0.99 -0.00 0.00 0.00 176.95 177.25 3gxm s THR 379 N 2.23 1.64 0.60 5.86 2.01 0.19 -2.39 115.64 125.78 3gxm s THR 379 Ca -0.04 -0.82 -0.04 0.00 0.31 0.00 0.00 61.69 61.10 3gxm s THR 379 Cb -0.11 -1.41 0.02 0.00 0.01 0.00 0.00 72.50 71.01 3gxm s THR 379 CO -0.13 0.47 0.89 -0.62 -0.69 0.00 0.00 174.62 174.53 3gxm s ASP 380 N 0.11 5.37 0.00 3.53 2.15 0.92 -2.03 116.67 126.73 3gxm s ASP 380 Ca -0.07 0.49 0.00 0.00 0.43 0.00 0.00 52.55 53.40 3gxm s ASP 380 Cb -0.14 -1.41 0.00 0.00 -0.30 0.00 0.00 42.92 41.07 3gxm s ASP 380 CO 0.04 -1.17 0.00 1.87 -0.17 0.00 0.00 175.17 175.74 3gxm n TRP 381 N -2.58 0.00 -1.45 -5.34 -0.00 -0.73 -2.67 117.44 104.68 3gxm n TRP 381 Ca 0.06 0.00 -0.57 0.00 -0.00 0.00 0.00 57.50 56.98 3gxm n TRP 381 Cb 0.59 0.00 -0.08 0.00 -0.00 0.00 0.00 31.31 31.82 3gxm n TRP 381 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 177.69 177.78 3gxm n ASN 382 N 0.00 0.08 0.10 5.87 3.02 -1.26 -1.40 115.26 121.67 3gxm n ASN 382 Ca 0.00 1.11 -0.01 0.00 -0.03 0.00 0.00 54.58 55.65 3gxm n ASN 382 Cb 0.00 -0.88 0.27 0.00 -0.61 0.00 0.00 39.78 38.57 3gxm n ASN 382 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3gxm h LEU 383 N 3.01 0.23 -7.32 3.41 3.38 -1.75 -3.41 115.31 112.85 3gxm h LEU 383 Ca -0.48 -0.08 -0.12 0.00 0.09 0.00 0.00 57.88 57.29 3gxm h LEU 383 Cb 1.36 -0.06 -0.24 0.00 0.09 0.00 0.00 40.66 41.81 3gxm h LEU 383 CO 0.64 0.56 -0.23 0.00 0.09 0.00 0.00 178.44 179.50 3gxm s ALA 384 N -4.29 -1.01 0.36 1.53 0.00 -1.26 -4.06 121.76 113.03 3gxm s ALA 384 Ca -0.05 1.11 0.03 0.00 0.00 0.00 0.00 51.96 53.06 3gxm s ALA 384 Cb 0.14 -0.62 -0.04 0.00 0.00 0.00 0.00 23.12 22.59 3gxm s ALA 384 CO 0.76 -0.20 0.10 -0.51 0.00 0.00 0.00 175.76 175.91 3gxm s LEU 385 N 0.11 2.01 0.59 0.00 1.43 -0.91 -3.41 118.68 118.50 3gxm s LEU 385 Ca -0.01 -1.54 0.01 0.00 -1.03 0.00 0.00 54.13 51.56 3gxm s LEU 385 Cb -0.03 -0.19 0.05 0.00 0.03 0.00 0.00 46.19 46.05 3gxm s LEU 385 CO 0.01 -0.80 0.82 0.54 0.23 0.00 0.00 176.35 177.16 3gxm s ASN 386 N -3.53 5.10 0.62 2.29 2.20 -0.58 -0.60 114.94 120.43 3gxm s ASN 386 Ca 0.30 -0.05 0.30 0.00 -0.94 0.00 0.00 52.86 52.47 3gxm s ASN 386 Cb 0.05 -0.73 1.63 0.00 -2.00 0.00 0.00 41.25 40.20 3gxm s ASN 386 CO 0.15 -1.29 1.98 -0.65 -2.94 0.00 0.00 177.10 174.35 3gxm h PRO 387 N -0.07 0.00 0.00 3.55 0.11 -1.91 0.45 132.00 134.13 3gxm h PRO 387 Ca -0.41 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.60 3gxm h PRO 387 Cb 1.29 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.39 3gxm h PRO 387 CO 0.51 0.00 -0.70 1.49 -0.21 0.00 0.00 178.00 179.09 3gxm h GLU 388 N 0.00 0.00 -0.46 1.05 4.81 -1.95 -3.41 114.58 114.63 3gxm h GLU 388 Ca 0.09 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 3gxm h GLU 388 Cb 0.75 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.13 3gxm h GLU 388 CO -0.00 0.37 0.00 0.41 -0.73 0.00 0.00 179.01 179.06 3gxm n GLY 389 N 1.25 0.56 0.00 1.92 0.00 0.16 -4.55 105.19 104.52 3gxm n GLY 389 Ca -0.01 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.89 3gxm n GLY 389 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gxm n GLY 390 N -0.23 3.07 3.76 -0.02 0.00 -1.26 -2.93 105.19 107.59 3gxm n GLY 390 Ca 0.00 -0.74 -0.40 0.00 0.00 0.00 0.00 46.02 44.88 3gxm n GLY 390 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gxm s PRO 391 N 1.08 3.60 -0.07 1.61 0.04 -1.26 -1.53 135.00 138.47 3gxm s PRO 391 Ca 0.00 2.41 -0.02 0.00 0.04 0.00 0.00 61.00 63.42 3gxm s PRO 391 Cb 0.00 -2.60 0.03 0.00 0.04 0.00 0.00 34.50 31.98 3gxm s PRO 391 CO 0.00 -0.88 0.05 1.21 0.04 0.00 0.00 177.00 177.41 3gxm s ASN 392 N -0.56 1.45 0.46 6.66 3.84 -1.26 -4.27 114.94 121.26 3gxm s ASN 392 Ca 0.63 -0.07 0.32 0.00 0.21 0.00 0.00 52.86 53.94 3gxm s ASN 392 Cb -0.44 -0.24 1.52 0.00 -0.55 0.00 0.00 41.25 41.54 3gxm s ASN 392 CO 0.55 -0.25 1.95 4.11 -2.79 0.00 0.00 177.10 180.67 3gxm h TRP 393 N 8.40 0.00 -0.17 0.43 5.08 -0.96 0.42 115.95 129.15 3gxm h TRP 393 Ca -0.14 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.83 3gxm h TRP 393 Cb 1.12 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.28 3gxm h TRP 393 CO 0.43 0.00 0.00 1.55 -1.28 0.00 0.00 178.44 179.14 3gxm n VAL 394 N -2.70 1.67 -1.89 0.12 3.14 -1.26 -4.99 118.33 112.42 3gxm n VAL 394 Ca -0.00 -1.63 -0.18 0.00 -2.96 0.00 0.00 64.34 59.57 3gxm n VAL 394 Cb 0.16 0.05 -0.05 0.00 -1.06 0.00 0.00 33.84 32.95 3gxm n VAL 394 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 3gxm n ARG 395 N -0.52 -1.59 -1.78 1.45 1.74 0.14 -4.87 116.66 111.22 3gxm n ARG 395 Ca 0.14 1.00 -0.37 0.00 -0.77 0.00 0.00 57.85 57.85 3gxm n ARG 395 Cb 0.61 -5.47 -0.02 0.00 -1.02 0.00 0.00 32.46 26.56 3gxm n ARG 395 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3gxm n ASN 396 N -1.44 7.80 -4.76 0.55 5.15 -1.26 -5.01 115.26 116.29 3gxm n ASN 396 Ca -0.20 -3.05 -0.34 0.00 -0.60 0.00 0.00 54.58 50.39 3gxm n ASN 396 Cb 0.63 -1.37 0.04 0.00 -0.53 0.00 0.00 39.78 38.54 3gxm n ASN 396 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 3gxm s PHE 397 N -0.72 2.52 0.29 1.20 0.40 -1.26 -5.02 117.98 115.39 3gxm s PHE 397 Ca 0.57 1.55 -0.03 0.00 -0.60 0.00 0.00 56.93 58.42 3gxm s PHE 397 Cb 0.22 -3.30 -0.01 0.00 0.51 0.00 0.00 43.02 40.44 3gxm s PHE 397 CO -0.11 -1.87 0.37 0.14 0.70 0.00 0.00 175.22 174.46 3gxm s VAL 398 N -1.98 0.00 0.70 -0.44 -7.23 -1.15 -4.70 120.40 105.59 3gxm s VAL 398 Ca 0.72 -1.70 -0.11 0.00 -1.81 0.00 0.00 61.98 59.07 3gxm s VAL 398 Cb -0.24 -2.50 0.01 0.00 0.56 0.00 0.00 36.38 34.21 3gxm s VAL 398 CO 0.36 0.00 1.07 -0.62 -0.31 0.00 0.00 175.10 175.60 3gxm s ASP 399 N -3.19 5.47 -0.01 4.85 -1.08 -0.80 -4.50 116.67 117.41 3gxm s ASP 399 Ca 0.32 1.31 -0.08 0.00 -0.52 0.00 0.00 52.55 53.58 3gxm s ASP 399 Cb 0.02 -2.18 0.01 0.00 -1.46 0.00 0.00 42.92 39.30 3gxm s ASP 399 CO 0.17 -1.35 0.16 -0.55 0.52 0.00 0.00 175.17 174.13 3gxm s SER 400 N -4.14 -0.04 0.55 -0.34 0.15 -1.26 -4.69 113.70 103.92 3gxm s SER 400 Ca 0.58 -0.07 0.32 0.00 0.70 0.00 0.00 55.95 57.48 3gxm s SER 400 Cb -0.12 0.25 1.57 0.00 -1.71 0.00 0.00 66.02 66.01 3gxm s SER 400 CO 0.53 -0.32 2.08 -0.65 1.20 0.00 0.00 173.24 176.08 3gxm h PRO 401 N 4.52 0.00 -5.40 5.44 0.11 -1.84 -3.41 132.00 131.43 3gxm h PRO 401 Ca -0.30 0.00 -0.65 0.00 0.11 0.00 0.00 66.00 65.17 3gxm h PRO 401 Cb 1.19 0.00 -0.32 0.00 0.11 0.00 0.00 31.00 31.98 3gxm h PRO 401 CO 0.40 0.07 -0.87 0.42 -0.21 0.00 0.00 178.00 177.82 3gxm s ILE 402 N -3.99 1.86 -0.10 4.15 1.01 -1.26 -0.85 121.20 122.02 3gxm s ILE 402 Ca -0.02 -0.92 0.04 0.00 0.00 0.00 0.00 60.65 59.75 3gxm s ILE 402 Cb 0.12 -1.60 0.00 0.00 0.01 0.00 0.00 42.46 40.99 3gxm s ILE 402 CO 0.54 0.52 -0.23 -0.63 0.00 0.00 0.00 174.94 175.14 3gxm s ILE 403 N 0.22 2.01 -0.19 2.92 -1.09 -0.46 -2.15 121.20 122.46 3gxm s ILE 403 Ca -0.13 -0.98 -0.07 0.00 -2.23 0.00 0.00 60.65 57.24 3gxm s ILE 403 Cb -0.16 -1.75 -0.04 0.00 -1.58 0.00 0.00 42.46 38.94 3gxm s ILE 403 CO 0.06 0.55 0.05 -0.69 -1.23 0.00 0.00 174.94 173.68 3gxm s VAL 404 N 0.44 4.61 -0.53 2.92 1.01 0.23 0.41 120.40 129.48 3gxm s VAL 404 Ca -0.17 -0.10 -0.04 0.00 0.00 0.00 0.00 61.98 61.68 3gxm s VAL 404 Cb -0.17 -3.08 0.14 0.00 0.00 0.00 0.00 36.38 33.26 3gxm s VAL 404 CO 0.07 0.45 0.35 -0.62 0.00 0.00 0.00 175.10 175.34 3gxm s ASP 405 N 0.53 5.34 0.23 3.32 -1.08 0.12 -4.07 116.67 121.06 3gxm s ASP 405 Ca 0.02 -2.43 -0.03 0.00 -0.52 0.00 0.00 52.55 49.59 3gxm s ASP 405 Cb -0.13 -1.87 0.22 0.00 -1.46 0.00 0.00 42.92 39.68 3gxm s ASP 405 CO 0.01 -0.48 1.65 0.40 0.52 0.00 0.00 175.17 177.27 3gxm h ILE 406 N 5.78 1.27 0.00 4.11 2.04 -1.94 -0.81 117.51 127.96 3gxm h ILE 406 Ca -0.08 -1.32 -0.07 0.00 1.00 0.00 0.00 64.86 64.39 3gxm h ILE 406 Cb 1.00 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 38.30 3gxm h ILE 406 CO 0.72 0.44 -0.35 0.71 0.00 0.00 0.00 178.15 179.67 3gxm h THR 407 N 0.64 1.20 -0.02 -0.27 1.35 -1.95 -2.51 112.91 111.36 3gxm h THR 407 Ca 0.09 -1.21 0.00 0.00 -0.55 0.00 0.00 66.41 64.74 3gxm h THR 407 Cb 0.72 1.66 0.00 0.00 -1.73 0.00 0.00 68.15 68.80 3gxm h THR 407 CO 0.06 0.34 -0.14 0.29 -0.25 0.00 0.00 175.52 175.81 3gxm n LYS 408 N -4.05 1.50 -4.29 4.72 5.02 -0.71 -4.96 118.16 115.39 3gxm n LYS 408 Ca -0.02 -1.03 -0.36 0.00 -2.02 0.00 0.00 58.31 54.89 3gxm n LYS 408 Cb 0.39 -1.48 -0.05 0.00 -0.02 0.00 0.00 35.03 33.87 3gxm n LYS 408 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3gxm n ASP 409 N 0.15 -1.84 -4.28 4.39 2.03 -0.39 -4.96 116.55 111.64 3gxm n ASP 409 Ca 0.15 -1.11 -0.19 0.00 0.52 0.00 0.00 54.79 54.15 3gxm n ASP 409 Cb 0.42 -2.32 -0.11 0.00 -0.72 0.00 0.00 41.12 38.39 3gxm n ASP 409 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 3gxm s THR 410 N -3.54 1.53 0.18 5.18 -4.23 -0.97 -4.21 115.64 109.58 3gxm s THR 410 Ca 0.55 -1.83 0.08 0.00 -1.18 0.00 0.00 61.69 59.31 3gxm s THR 410 Cb -0.31 -1.69 -0.04 0.00 1.34 0.00 0.00 72.50 71.80 3gxm s THR 410 CO 0.96 -0.40 -0.16 0.72 -0.54 0.00 0.00 174.62 175.20 3gxm s PHE 411 N -2.20 1.73 -0.18 3.99 -0.12 0.41 0.14 117.98 121.75 3gxm s PHE 411 Ca 0.12 -0.52 0.01 0.00 -0.05 0.00 0.00 56.93 56.49 3gxm s PHE 411 Cb -0.05 -0.84 0.02 0.00 -0.63 0.00 0.00 43.02 41.52 3gxm s PHE 411 CO 0.04 0.33 -0.19 0.71 -0.05 0.00 0.00 175.22 176.06 3gxm s TYR 412 N -2.47 2.79 -0.45 3.49 1.51 0.16 -0.14 117.35 122.26 3gxm s TYR 412 Ca 0.18 -1.60 -0.22 0.00 -1.01 0.00 0.00 57.07 54.42 3gxm s TYR 412 Cb -0.03 -1.93 0.03 0.00 -0.11 0.00 0.00 41.96 39.91 3gxm s TYR 412 CO 0.06 -0.79 0.73 0.15 -1.11 0.00 0.00 175.55 174.59 3gxm s LYS 413 N 1.30 3.35 0.75 -0.62 1.02 0.35 -1.36 119.74 124.54 3gxm s LYS 413 Ca 0.05 -0.22 -0.12 0.00 0.02 0.00 0.00 55.97 55.70 3gxm s LYS 413 Cb -0.13 -3.95 0.04 0.00 -0.52 0.00 0.00 37.83 33.27 3gxm s LYS 413 CO -0.12 -1.08 1.11 -0.65 -0.92 0.00 0.00 175.35 173.69 3gxm s GLN 414 N 3.10 2.49 0.40 1.68 -0.21 -0.03 -1.78 119.66 125.32 3gxm s GLN 414 Ca 0.27 0.44 0.18 0.00 0.02 0.00 0.00 55.36 56.26 3gxm s GLN 414 Cb -0.13 -1.98 1.08 0.00 1.00 0.00 0.00 33.01 32.98 3gxm s GLN 414 CO 0.21 -1.29 1.81 -1.35 -2.12 0.00 0.00 175.29 172.55 3gxm h PRO 415 N -0.84 0.40 -0.86 2.91 0.11 -1.80 -1.20 132.00 130.72 3gxm h PRO 415 Ca -0.46 -0.02 0.22 0.00 0.11 0.00 0.00 66.00 65.85 3gxm h PRO 415 Cb 1.27 -0.09 -0.14 0.00 0.11 0.00 0.00 31.00 32.15 3gxm h PRO 415 CO 0.63 0.27 0.18 0.52 -0.21 0.00 0.00 178.00 179.39 3gxm h MET 416 N 0.42 0.17 -0.50 1.05 2.86 -1.84 0.10 114.93 117.20 3gxm h MET 416 Ca 0.54 -0.01 0.05 0.00 -2.06 0.00 0.00 59.70 58.22 3gxm h MET 416 Cb 1.34 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 32.91 3gxm h MET 416 CO -0.24 0.11 0.22 0.35 1.06 0.00 0.00 176.91 178.41 3gxm h PHE 417 N 0.18 0.39 -0.07 -0.22 3.57 -1.38 0.12 116.94 119.53 3gxm h PHE 417 Ca 0.53 0.02 -0.21 0.00 3.53 0.00 0.00 57.97 61.84 3gxm h PHE 417 Cb 1.04 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.68 3gxm h PHE 417 CO -0.31 0.16 -0.81 1.88 -2.23 0.00 0.00 178.31 177.00 3gxm h TYR 418 N 0.42 0.73 -0.39 0.41 -1.99 -1.37 -1.12 116.97 113.66 3gxm h TYR 418 Ca 0.23 -0.35 -0.10 0.00 2.00 0.00 0.00 58.73 60.51 3gxm h TYR 418 Cb 0.19 -0.10 -0.02 0.00 2.00 0.00 0.00 36.73 38.80 3gxm h TYR 418 CO -0.13 1.14 -0.17 0.45 -0.00 0.00 0.00 178.16 179.45 3gxm h HIS 419 N 0.34 0.81 0.14 4.88 3.86 -0.92 -2.04 115.15 122.22 3gxm h HIS 419 Ca -0.05 -0.16 -0.00 0.00 -1.16 0.00 0.00 60.37 58.99 3gxm h HIS 419 Cb 1.42 -0.20 -0.00 0.00 1.06 0.00 0.00 27.41 29.69 3gxm h HIS 419 CO 0.06 0.85 -0.08 -0.07 0.86 0.00 0.00 177.93 179.55 3gxm h LEU 420 N 0.65 -0.20 -2.25 2.43 3.38 -0.92 -3.34 115.31 115.06 3gxm h LEU 420 Ca 0.10 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 3gxm h LEU 420 Cb 0.65 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 3gxm h LEU 420 CO 0.05 -0.13 -0.03 1.23 0.09 0.00 0.00 178.44 179.64 3gxm h GLY 421 N -0.21 0.00 2.00 0.83 0.00 -0.77 -1.25 103.07 103.67 3gxm h GLY 421 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 3gxm h GLY 421 CO 0.02 0.00 0.00 0.45 0.00 0.00 0.00 176.54 177.01 3gxm h HIS 422 N 0.00 0.00 0.00 5.60 3.86 -1.50 -1.66 115.15 121.46 3gxm h HIS 422 Ca -0.00 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.11 3gxm h HIS 422 Cb 0.23 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.69 3gxm h HIS 422 CO 0.00 0.00 -1.13 1.19 0.86 0.00 0.00 177.93 178.85 3gxm n PHE 423 N -2.55 0.00 -0.06 2.45 3.01 -0.50 -4.59 117.46 115.23 3gxm n PHE 423 Ca -0.01 0.00 0.10 0.00 1.01 0.00 0.00 57.45 58.55 3gxm n PHE 423 Cb 0.08 -0.46 0.49 0.00 -0.01 0.00 0.00 39.48 39.59 3gxm n PHE 423 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 3gxm h SER 424 N -0.70 0.37 0.54 4.37 4.64 -1.52 -1.10 113.55 120.16 3gxm h SER 424 Ca -0.16 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.01 3gxm h SER 424 Cb 0.93 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.93 3gxm h SER 424 CO -0.09 0.23 -0.73 0.50 -0.87 0.00 0.00 176.83 175.87 3gxm h LYS 425 N 0.42 0.15 -0.05 4.77 3.64 -1.15 -3.37 116.57 120.98 3gxm h LYS 425 Ca 0.24 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 3gxm h LYS 425 Cb 0.42 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 3gxm h LYS 425 CO -0.06 0.81 0.00 1.19 -2.27 0.00 0.00 179.45 179.12 3gxm n PHE 426 N -3.75 0.07 -3.72 1.91 3.01 -0.73 -4.79 117.46 109.47 3gxm n PHE 426 Ca -0.02 -0.22 -0.28 0.00 1.01 0.00 0.00 57.45 57.94 3gxm n PHE 426 Cb 0.70 -0.02 -0.12 0.00 -0.01 0.00 0.00 39.48 40.04 3gxm n PHE 426 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 3gxm s ILE 427 N -0.61 1.88 0.86 4.37 1.01 -0.50 -4.93 121.20 123.27 3gxm s ILE 427 Ca 0.06 -3.49 -0.12 0.00 0.00 0.00 0.00 60.65 57.11 3gxm s ILE 427 Cb 0.03 -2.26 0.10 0.00 0.01 0.00 0.00 42.46 40.35 3gxm s ILE 427 CO 0.05 -1.05 1.10 -2.16 0.00 0.00 0.00 174.94 172.87 3gxm s PRO 428 N -0.68 1.60 0.32 2.79 0.04 -1.26 -4.82 135.00 132.99 3gxm s PRO 428 Ca 0.26 0.73 -0.28 0.00 0.04 0.00 0.00 61.00 61.75 3gxm s PRO 428 Cb -0.06 -1.86 -0.13 0.00 0.04 0.00 0.00 34.50 32.50 3gxm s PRO 428 CO -0.14 -1.98 1.18 -1.91 0.04 0.00 0.00 177.00 174.19 3gxm n GLU 429 N -3.69 1.82 0.00 4.56 2.13 -1.26 -0.87 120.64 123.33 3gxm n GLU 429 Ca 0.07 0.64 0.00 0.00 0.66 0.00 0.00 57.16 58.53 3gxm n GLU 429 Cb 0.56 -2.14 0.00 0.00 0.27 0.00 0.00 31.44 30.13 3gxm n GLU 429 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3gxm n GLY 430 N 0.97 2.91 3.64 8.31 0.00 0.19 -4.76 105.19 116.44 3gxm n GLY 430 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 3gxm n GLY 430 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3gxm n SER 431 N 0.00 1.82 -4.23 1.61 7.64 -0.05 -4.38 113.62 116.03 3gxm n SER 431 Ca 0.00 1.14 -0.33 0.00 1.01 0.00 0.00 58.87 60.69 3gxm n SER 431 Cb 0.00 -1.38 -0.16 0.00 -1.01 0.00 0.00 64.21 61.66 3gxm n SER 431 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 3gxm s GLN 432 N -1.85 3.13 0.41 1.43 0.74 -0.15 0.77 119.66 124.14 3gxm s GLN 432 Ca 0.59 -0.81 -0.26 0.00 0.05 0.00 0.00 55.36 54.94 3gxm s GLN 432 Cb -0.60 -2.49 -0.08 0.00 1.10 0.00 0.00 33.01 30.94 3gxm s GLN 432 CO 0.60 0.06 1.27 0.50 -0.55 0.00 0.00 175.29 177.16 3gxm s ARG 433 N 0.67 3.96 0.20 1.67 3.52 -0.02 -0.20 118.95 128.75 3gxm s ARG 433 Ca -0.09 2.07 -0.00 0.00 -0.13 0.00 0.00 55.73 57.57 3gxm s ARG 433 Cb -0.16 -2.72 -0.04 0.00 -1.56 0.00 0.00 34.95 30.47 3gxm s ARG 433 CO 0.02 -0.47 0.11 0.14 -0.81 0.00 0.00 175.30 174.29 3gxm s VAL 434 N -1.30 0.15 0.66 7.11 -7.23 -0.73 -0.36 120.40 118.70 3gxm s VAL 434 Ca 0.57 -1.99 -0.14 0.00 -1.81 0.00 0.00 61.98 58.62 3gxm s VAL 434 Cb -0.36 -2.45 -0.00 0.00 0.56 0.00 0.00 36.38 34.13 3gxm s VAL 434 CO 0.46 -0.09 1.08 -0.83 -0.31 0.00 0.00 175.10 175.42 3gxm s GLY 435 N -3.17 1.99 -0.28 2.32 0.00 -0.28 -4.38 107.32 103.51 3gxm s GLY 435 Ca 0.36 0.38 0.01 0.00 0.00 0.00 0.00 44.72 45.47 3gxm s GLY 435 CO 0.11 0.72 0.51 -2.27 0.00 0.00 0.00 173.10 172.16 3gxm s LEU 436 N -5.04 -1.15 -0.22 0.66 2.96 -1.26 -0.61 118.68 114.03 3gxm s LEU 436 Ca 0.64 0.36 -0.15 0.00 -0.22 0.00 0.00 54.13 54.76 3gxm s LEU 436 Cb -0.18 1.70 -0.04 0.00 0.50 0.00 0.00 46.19 48.18 3gxm s LEU 436 CO 0.45 -0.29 0.37 -0.69 -1.32 0.00 0.00 176.35 174.86 3gxm s VAL 437 N 2.72 5.21 0.32 1.68 1.01 -0.18 -4.80 120.40 126.36 3gxm s VAL 437 Ca 0.15 0.63 -0.27 0.00 0.00 0.00 0.00 61.98 62.49 3gxm s VAL 437 Cb -0.14 -3.70 -0.09 0.00 0.00 0.00 0.00 36.38 32.45 3gxm s VAL 437 CO -0.22 0.25 0.99 0.00 0.00 0.00 0.00 175.10 176.12 3gxm s ALA 438 N 1.39 3.24 -0.88 5.51 0.00 -1.26 -0.51 121.76 129.25 3gxm s ALA 438 Ca 0.17 0.65 0.24 0.00 0.00 0.00 0.00 51.96 53.02 3gxm s ALA 438 Cb -0.15 -3.23 0.40 0.00 0.00 0.00 0.00 23.12 20.14 3gxm s ALA 438 CO 0.08 0.04 1.33 -1.13 0.00 0.00 0.00 175.76 176.08 3gxm n SER 439 N 0.69 0.57 -3.49 0.00 3.41 -0.75 -4.88 113.62 109.17 3gxm n SER 439 Ca 0.01 -0.19 -0.16 0.00 -0.26 0.00 0.00 58.87 58.28 3gxm n SER 439 Cb 0.48 0.32 -0.05 0.00 -0.26 0.00 0.00 64.21 64.70 3gxm n SER 439 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gxm s GLN 440 N -3.06 1.12 0.55 4.33 -2.07 -1.26 -4.97 119.66 114.30 3gxm s GLN 440 Ca 0.09 0.03 -0.21 0.00 -1.82 0.00 0.00 55.36 53.46 3gxm s GLN 440 Cb 0.16 0.52 -0.05 0.00 -1.09 0.00 0.00 33.01 32.55 3gxm s GLN 440 CO 0.72 -0.40 1.15 1.17 -1.32 0.00 0.00 175.29 176.62 3gxm n LYS 441 N 0.51 1.31 -3.96 9.60 4.81 -1.26 -4.97 118.16 124.20 3gxm n LYS 441 Ca -0.18 0.49 -0.10 0.00 -0.87 0.00 0.00 58.31 57.65 3gxm n LYS 441 Cb 0.59 -2.34 -0.03 0.00 0.02 0.00 0.00 35.03 33.28 3gxm n LYS 441 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3gxm s ASN 442 N -1.04 0.10 0.00 3.14 2.20 -1.26 -5.05 114.94 113.03 3gxm s ASN 442 Ca 0.73 -1.03 0.22 0.00 -0.94 0.00 0.00 52.86 51.83 3gxm s ASN 442 Cb -0.44 0.68 0.61 0.00 -2.00 0.00 0.00 41.25 40.10 3gxm s ASN 442 CO 0.49 -1.31 1.51 0.47 -2.94 0.00 0.00 177.10 175.32 3gxm n ASP 443 N -0.80 3.75 -4.88 3.54 8.00 -1.26 -5.00 116.55 119.90 3gxm n ASP 443 Ca -0.03 -2.00 -0.33 0.00 0.71 0.00 0.00 54.79 53.14 3gxm n ASP 443 Cb 0.61 -0.46 -0.05 0.00 -0.02 0.00 0.00 41.12 41.20 3gxm n ASP 443 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3gxm s LEU 444 N -1.03 4.30 -0.23 0.64 1.43 -1.26 -4.55 118.68 117.97 3gxm s LEU 444 Ca 0.47 0.71 -0.08 0.00 -1.03 0.00 0.00 54.13 54.19 3gxm s LEU 444 Cb 0.24 -3.17 -0.04 0.00 0.03 0.00 0.00 46.19 43.26 3gxm s LEU 444 CO 0.32 0.10 0.09 -1.81 0.23 0.00 0.00 176.35 175.28 3gxm s ASP 445 N -2.09 5.44 0.01 2.29 1.01 -0.92 -4.97 116.67 117.43 3gxm s ASP 445 Ca 0.37 -0.09 0.00 0.00 0.71 0.00 0.00 52.55 53.55 3gxm s ASP 445 Cb -0.13 -1.97 -0.01 0.00 1.01 0.00 0.00 42.92 41.82 3gxm s ASP 445 CO 0.21 0.03 -0.03 0.00 0.21 0.00 0.00 175.17 175.59 3gxm s ALA 446 N 1.27 0.17 -0.15 5.23 0.00 -1.26 -0.45 121.76 126.57 3gxm s ALA 446 Ca 0.05 -0.32 -0.14 0.00 0.00 0.00 0.00 51.96 51.55 3gxm s ALA 446 Cb -0.15 0.04 0.04 0.00 0.00 0.00 0.00 23.12 23.05 3gxm s ALA 446 CO 0.04 -0.04 0.41 0.54 0.00 0.00 0.00 175.76 176.71 3gxm s VAL 447 N -0.67 0.00 0.07 0.00 0.11 -0.59 -5.00 120.40 114.33 3gxm s VAL 447 Ca -0.06 -0.01 0.10 0.00 -2.93 0.00 0.00 61.98 59.07 3gxm s VAL 447 Cb -0.05 -0.57 -0.03 0.00 -1.53 0.00 0.00 36.38 34.20 3gxm s VAL 447 CO -0.00 -0.01 -0.26 0.00 -3.33 0.00 0.00 175.10 171.50 3gxm s ALA 448 N 0.16 2.27 0.10 1.54 0.00 -1.26 -1.25 121.76 123.33 3gxm s ALA 448 Ca -0.00 -1.33 -0.08 0.00 0.00 0.00 0.00 51.96 50.55 3gxm s ALA 448 Cb -0.03 -0.44 -0.01 0.00 0.00 0.00 0.00 23.12 22.65 3gxm s ALA 448 CO 0.01 0.53 0.19 -0.51 0.00 0.00 0.00 175.76 175.98 3gxm s LEU 449 N -1.50 1.41 -0.07 0.00 1.02 -0.36 -1.77 118.68 117.40 3gxm s LEU 449 Ca 0.12 -0.71 0.04 0.00 0.02 0.00 0.00 54.13 53.60 3gxm s LEU 449 Cb -0.10 1.01 -0.01 0.00 0.02 0.00 0.00 46.19 47.10 3gxm s LEU 449 CO 0.03 -0.75 -0.21 -0.04 0.02 0.00 0.00 176.35 175.41 3gxm s MET 450 N -3.88 2.73 0.77 1.70 -1.94 0.72 -1.33 119.30 118.06 3gxm s MET 450 Ca 0.07 -0.82 -0.12 0.00 -1.71 0.00 0.00 55.69 53.11 3gxm s MET 450 Cb 0.05 -2.30 0.06 0.00 2.01 0.00 0.00 34.83 34.65 3gxm s MET 450 CO -0.09 0.39 1.13 -1.01 -0.01 0.00 0.00 175.02 175.43 3gxm s HIS 451 N -0.15 2.24 0.33 -0.03 3.76 0.79 -0.98 115.29 121.25 3gxm s HIS 451 Ca -0.03 1.62 0.09 0.00 -0.15 0.00 0.00 55.06 56.59 3gxm s HIS 451 Cb -0.14 -3.24 0.96 0.00 1.11 0.00 0.00 32.58 31.28 3gxm s HIS 451 CO 0.04 -2.19 1.59 -1.35 -0.85 0.00 0.00 174.74 171.98 3gxm h PRO 452 N -0.88 0.06 0.00 8.40 0.11 -1.86 0.31 132.00 138.15 3gxm h PRO 452 Ca -0.45 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3gxm h PRO 452 Cb 1.26 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3gxm h PRO 452 CO 0.49 0.04 0.00 -0.40 -0.21 0.00 0.00 178.00 177.92 3gxm n ASP 453 N -5.34 0.12 0.00 -2.05 5.68 -1.26 -4.90 116.55 108.80 3gxm n ASP 453 Ca 0.28 0.53 0.00 0.00 -0.50 0.00 0.00 54.79 55.10 3gxm n ASP 453 Cb 0.93 -0.56 0.00 0.00 -1.14 0.00 0.00 41.12 40.36 3gxm n ASP 453 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3gxm n GLY 454 N -0.07 0.63 3.88 6.12 0.00 0.10 -5.08 105.19 110.77 3gxm n GLY 454 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 3gxm n GLY 454 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gxm s SER 455 N -2.12 6.44 0.08 1.61 1.04 -1.26 -4.60 113.70 114.89 3gxm s SER 455 Ca 0.00 1.20 -0.10 0.00 0.48 0.00 0.00 55.95 57.53 3gxm s SER 455 Cb 0.00 -2.36 -0.06 0.00 0.10 0.00 0.00 66.02 63.71 3gxm s SER 455 CO 0.00 -0.53 0.40 0.00 0.98 0.00 0.00 173.24 174.09 3gxm s ALA 456 N -2.61 3.72 -0.04 5.32 0.00 -0.58 -0.15 121.76 127.43 3gxm s ALA 456 Ca 0.52 -0.38 0.01 0.00 0.00 0.00 0.00 51.96 52.11 3gxm s ALA 456 Cb -0.10 -2.27 0.02 0.00 0.00 0.00 0.00 23.12 20.77 3gxm s ALA 456 CO 0.37 0.57 -0.04 0.54 0.00 0.00 0.00 175.76 177.20 3gxm s VAL 457 N -1.41 0.48 -0.07 0.00 0.11 -0.44 -2.44 120.40 116.64 3gxm s VAL 457 Ca 0.33 -0.11 0.02 0.00 -2.93 0.00 0.00 61.98 59.30 3gxm s VAL 457 Cb -0.14 -0.51 0.01 0.00 -1.53 0.00 0.00 36.38 34.22 3gxm s VAL 457 CO 0.18 0.20 -0.13 -0.69 -3.33 0.00 0.00 175.10 171.34 3gxm s VAL 458 N 0.81 1.20 -0.11 2.04 1.01 0.03 -1.22 120.40 124.16 3gxm s VAL 458 Ca -0.10 -0.51 -0.03 0.00 0.00 0.00 0.00 61.98 61.33 3gxm s VAL 458 Cb -0.13 -1.10 -0.03 0.00 0.00 0.00 0.00 36.38 35.11 3gxm s VAL 458 CO 0.00 0.37 0.01 -0.69 0.00 0.00 0.00 175.10 174.80 3gxm s VAL 459 N 0.70 4.40 -0.07 2.92 1.01 -0.38 -0.41 120.40 128.58 3gxm s VAL 459 Ca -0.14 -0.20 0.01 0.00 0.00 0.00 0.00 61.98 61.65 3gxm s VAL 459 Cb -0.16 -2.88 0.02 0.00 0.00 0.00 0.00 36.38 33.36 3gxm s VAL 459 CO 0.03 0.58 -0.07 -0.69 0.00 0.00 0.00 175.10 174.95 3gxm s VAL 460 N -0.62 0.83 -0.09 2.92 1.01 0.41 -1.54 120.40 123.32 3gxm s VAL 460 Ca 0.10 -0.24 -0.01 0.00 0.00 0.00 0.00 61.98 61.84 3gxm s VAL 460 Cb -0.12 -0.83 -0.03 0.00 0.00 0.00 0.00 36.38 35.40 3gxm s VAL 460 CO 0.02 0.31 -0.05 -0.22 0.00 0.00 0.00 175.10 175.16 3gxm s LEU 461 N 1.19 3.23 -0.34 3.92 2.96 0.40 -0.31 118.68 129.73 3gxm s LEU 461 Ca -0.06 -0.03 0.02 0.00 -0.22 0.00 0.00 54.13 53.85 3gxm s LEU 461 Cb -0.14 -1.73 0.09 0.00 0.50 0.00 0.00 46.19 44.92 3gxm s LEU 461 CO -0.02 0.32 0.06 0.21 -1.32 0.00 0.00 176.35 175.60 3gxm s ASN 462 N -0.55 4.82 0.00 3.68 2.47 -0.56 -2.17 114.94 122.63 3gxm s ASN 462 Ca 0.08 -2.00 0.28 0.00 0.42 0.00 0.00 52.86 51.64 3gxm s ASN 462 Cb -0.12 -1.66 1.05 0.00 -1.45 0.00 0.00 41.25 39.08 3gxm s ASN 462 CO 0.02 -0.38 1.75 0.54 -3.72 0.00 0.00 177.10 175.31 3gxm n ARG 463 N 4.35 1.65 -3.32 0.43 1.74 -1.26 -0.76 116.66 119.50 3gxm n ARG 463 Ca -0.00 -0.95 -0.21 0.00 -0.77 0.00 0.00 57.85 55.91 3gxm n ARG 463 Cb 0.42 -1.48 -0.00 0.00 -1.02 0.00 0.00 32.46 30.38 3gxm n ARG 463 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3gxm s SER 464 N -1.98 6.00 0.00 0.55 1.04 -1.26 -4.80 113.70 113.25 3gxm s SER 464 Ca 0.38 0.12 0.29 0.00 0.48 0.00 0.00 55.95 57.22 3gxm s SER 464 Cb 0.21 -1.53 1.26 0.00 0.10 0.00 0.00 66.02 66.06 3gxm s SER 464 CO 0.33 -0.48 1.89 -1.54 0.98 0.00 0.00 173.24 174.42 3gxm n SER 465 N -1.81 0.29 -4.81 7.02 3.41 -1.26 -1.86 113.62 114.60 3gxm n SER 465 Ca -0.01 -0.32 -0.37 0.00 -0.26 0.00 0.00 58.87 57.91 3gxm n SER 465 Cb 0.58 -0.15 -0.06 0.00 -0.26 0.00 0.00 64.21 64.31 3gxm n SER 465 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 3gxm s LYS 466 N -2.59 3.86 0.35 4.33 -2.85 -1.26 -4.49 119.74 117.09 3gxm s LYS 466 Ca 0.26 0.06 -0.29 0.00 -1.00 0.00 0.00 55.97 55.00 3gxm s LYS 466 Cb 0.20 -3.29 -0.11 0.00 -2.06 0.00 0.00 37.83 32.57 3gxm s LYS 466 CO 0.49 0.56 1.51 -0.51 0.10 0.00 0.00 175.35 177.51 3gxm s ASP 467 N -0.48 6.36 -0.23 0.03 1.11 -1.26 -3.47 116.67 118.73 3gxm s ASP 467 Ca 0.17 3.01 0.01 0.00 0.18 0.00 0.00 52.55 55.92 3gxm s ASP 467 Cb -0.13 -2.66 0.06 0.00 1.07 0.00 0.00 42.92 41.25 3gxm s ASP 467 CO 0.06 -0.88 -0.07 -0.69 1.18 0.00 0.00 175.17 174.77 3gxm s VAL 468 N -0.78 1.62 0.31 -1.27 1.01 0.21 -4.88 120.40 116.61 3gxm s VAL 468 Ca 0.56 -1.21 -0.29 0.00 0.00 0.00 0.00 61.98 61.03 3gxm s VAL 468 Cb -0.47 -1.83 -0.10 0.00 0.00 0.00 0.00 36.38 33.99 3gxm s VAL 468 CO 0.58 -0.03 1.26 -2.84 0.00 0.00 0.00 175.10 174.08 3gxm s PRO 469 N 1.37 4.42 0.08 2.72 0.02 -1.26 0.11 135.00 142.45 3gxm s PRO 469 Ca -0.05 2.12 -0.21 0.00 0.02 0.00 0.00 61.00 62.88 3gxm s PRO 469 Cb -0.18 -3.11 0.05 0.00 0.02 0.00 0.00 34.50 31.28 3gxm s PRO 469 CO -0.06 -0.11 0.50 -0.48 -0.33 0.00 0.00 177.00 176.52 3gxm s LEU 470 N -1.56 -0.04 0.03 -5.54 0.05 -0.75 -4.05 118.68 106.82 3gxm s LEU 470 Ca 0.49 0.03 0.07 0.00 0.05 0.00 0.00 54.13 54.76 3gxm s LEU 470 Cb -0.38 2.13 -0.02 0.00 -2.05 0.00 0.00 46.19 45.87 3gxm s LEU 470 CO 0.49 -0.79 -0.19 -0.89 -0.55 0.00 0.00 176.35 174.41 3gxm s THR 471 N -2.99 1.56 -0.21 5.48 2.01 -0.54 -1.68 115.64 119.27 3gxm s THR 471 Ca -0.02 -1.09 -0.01 0.00 0.31 0.00 0.00 61.69 60.87 3gxm s THR 471 Cb -0.00 -1.35 0.01 0.00 0.01 0.00 0.00 72.50 71.17 3gxm s THR 471 CO -0.06 0.22 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.36 3gxm s ILE 472 N -0.73 2.76 -0.24 1.82 1.01 -0.76 -0.32 121.20 124.74 3gxm s ILE 472 Ca 0.07 -0.79 -0.19 0.00 0.00 0.00 0.00 60.65 59.73 3gxm s ILE 472 Cb -0.08 -2.27 -0.02 0.00 0.01 0.00 0.00 42.46 40.10 3gxm s ILE 472 CO 0.01 0.41 0.58 -0.75 0.00 0.00 0.00 174.94 175.20 3gxm s LYS 473 N 1.37 4.12 -0.31 2.79 2.20 0.10 -2.38 119.74 127.64 3gxm s LYS 473 Ca 0.04 0.47 -0.01 0.00 -0.36 0.00 0.00 55.97 56.11 3gxm s LYS 473 Cb -0.14 -3.63 0.06 0.00 -1.51 0.00 0.00 37.83 32.61 3gxm s LYS 473 CO -0.07 -0.34 0.02 0.34 -0.36 0.00 0.00 175.35 174.94 3gxm s ASP 474 N 1.41 4.91 0.59 1.43 2.15 -0.54 0.07 116.67 126.70 3gxm s ASP 474 Ca 0.25 -1.39 0.29 0.00 0.43 0.00 0.00 52.55 52.13 3gxm s ASP 474 Cb -0.16 -1.71 1.56 0.00 -0.30 0.00 0.00 42.92 42.31 3gxm s ASP 474 CO 0.09 -0.29 1.98 1.55 -0.17 0.00 0.00 175.17 178.33 3gxm h PRO 475 N 7.98 0.00 0.00 4.34 0.13 -1.83 0.11 132.00 142.73 3gxm h PRO 475 Ca -0.20 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.84 3gxm h PRO 475 Cb 1.06 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.17 3gxm h PRO 475 CO 0.55 0.00 -0.43 0.00 -0.23 0.00 0.00 178.00 177.88 3gxm h ALA 476 N 1.59 1.24 0.00 -0.56 0.00 -1.95 -3.39 119.26 116.19 3gxm h ALA 476 Ca 0.15 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3gxm h ALA 476 Cb 0.86 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3gxm h ALA 476 CO -0.00 0.54 -0.75 1.33 0.00 0.00 0.00 179.25 180.36 3gxm n VAL 477 N -3.96 0.00 0.00 0.00 0.24 -0.29 -4.98 118.33 109.34 3gxm n VAL 477 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.28 3gxm n VAL 477 Cb 0.47 -0.37 0.00 0.00 -1.47 0.00 0.00 33.84 32.47 3gxm n VAL 477 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3gxm n GLY 478 N 2.21 0.38 3.42 7.63 0.00 0.22 -4.79 105.19 114.26 3gxm n GLY 478 Ca 0.00 -2.01 -0.30 0.00 0.00 0.00 0.00 46.02 43.70 3gxm n GLY 478 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gxm s PHE 479 N -0.68 2.47 -0.21 1.61 0.40 0.51 -1.47 117.98 120.62 3gxm s PHE 479 Ca 0.00 -0.31 -0.03 0.00 -0.60 0.00 0.00 56.93 55.99 3gxm s PHE 479 Cb 0.00 -1.43 -0.00 0.00 0.51 0.00 0.00 43.02 42.09 3gxm s PHE 479 CO 0.00 0.22 -0.07 -0.51 0.70 0.00 0.00 175.22 175.55 3gxm s LEU 480 N -1.40 2.77 -0.23 -0.37 1.43 -1.00 -0.41 118.68 119.47 3gxm s LEU 480 Ca 0.14 -0.42 -0.09 0.00 -1.03 0.00 0.00 54.13 52.72 3gxm s LEU 480 Cb -0.10 -1.69 -0.04 0.00 0.03 0.00 0.00 46.19 44.39 3gxm s LEU 480 CO 0.04 -0.00 0.11 -1.61 0.23 0.00 0.00 176.35 175.12 3gxm s GLU 481 N 1.36 3.90 0.29 1.70 2.02 -1.26 -1.83 118.70 124.88 3gxm s GLU 481 Ca 0.04 -0.36 -0.05 0.00 0.02 0.00 0.00 54.97 54.62 3gxm s GLU 481 Cb -0.14 -3.41 -0.01 0.00 0.10 0.00 0.00 34.13 30.67 3gxm s GLU 481 CO -0.04 0.00 0.42 -0.08 0.02 0.00 0.00 175.26 175.58 3gxm s THR 482 N 1.15 0.00 -0.05 3.63 -1.32 -0.67 -5.03 115.64 113.36 3gxm s THR 482 Ca 0.06 -1.61 0.03 0.00 -1.21 0.00 0.00 61.69 58.96 3gxm s THR 482 Cb -0.14 -2.47 0.00 0.00 -1.51 0.00 0.00 72.50 68.38 3gxm s THR 482 CO 0.04 0.00 -0.14 -0.63 -2.21 0.00 0.00 174.62 171.68 3gxm s ILE 483 N -3.55 1.23 -0.52 5.08 1.01 -1.26 -1.80 121.20 121.38 3gxm s ILE 483 Ca 0.29 -0.59 -0.16 0.00 0.00 0.00 0.00 60.65 60.20 3gxm s ILE 483 Cb 0.01 -1.08 0.11 0.00 0.01 0.00 0.00 42.46 41.52 3gxm s ILE 483 CO 0.15 0.36 0.47 -0.55 0.00 0.00 0.00 174.94 175.38 3gxm s SER 484 N 0.22 6.17 0.58 3.58 0.15 0.30 -4.93 113.70 119.77 3gxm s SER 484 Ca -0.06 -1.67 -0.19 0.00 0.70 0.00 0.00 55.95 54.73 3gxm s SER 484 Cb -0.12 -2.20 -0.04 0.00 -1.71 0.00 0.00 66.02 61.95 3gxm s SER 484 CO 0.02 -0.80 1.21 -2.84 1.20 0.00 0.00 173.24 172.03 3gxm s PRO 485 N 1.61 3.04 0.37 5.44 0.02 -1.26 0.67 135.00 144.88 3gxm s PRO 485 Ca 0.03 1.84 -0.27 0.00 0.02 0.00 0.00 61.00 62.62 3gxm s PRO 485 Cb -0.28 -1.97 -0.12 0.00 0.02 0.00 0.00 34.50 32.15 3gxm s PRO 485 CO 0.04 -1.16 1.23 0.41 -0.33 0.00 0.00 177.00 177.19 3gxm n GLY 486 N 0.50 0.40 3.44 0.52 0.00 -1.23 -2.79 105.19 106.04 3gxm n GLY 486 Ca 0.13 0.26 -0.19 0.00 0.00 0.00 0.00 46.02 46.22 3gxm n GLY 486 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3gxm n TYR 487 N 0.09 -2.22 -4.18 1.61 0.53 0.06 -4.80 117.16 108.25 3gxm n TYR 487 Ca 0.06 0.81 -0.11 0.00 -1.02 0.00 0.00 57.90 57.64 3gxm n TYR 487 Cb 0.37 -4.29 -0.10 0.00 -1.03 0.00 0.00 39.34 34.29 3gxm n TYR 487 CO 0.00 0.00 0.00 -1.54 -1.02 0.00 0.00 176.86 174.30 3gxm s SER 488 N -3.80 0.53 -0.01 7.72 1.04 -1.12 -2.08 113.70 115.98 3gxm s SER 488 Ca 0.28 -1.21 0.00 0.00 0.48 0.00 0.00 55.95 55.50 3gxm s SER 488 Cb -0.05 0.25 0.02 0.00 0.10 0.00 0.00 66.02 66.34 3gxm s SER 488 CO 0.77 -0.70 0.01 -0.51 0.98 0.00 0.00 173.24 173.79 3gxm s ILE 489 N -3.95 0.03 0.01 -1.02 2.07 -0.02 -1.49 121.20 116.82 3gxm s ILE 489 Ca 0.25 0.09 0.08 0.00 -1.41 0.00 0.00 60.65 59.66 3gxm s ILE 489 Cb 0.07 -0.10 -0.02 0.00 0.13 0.00 0.00 42.46 42.54 3gxm s ILE 489 CO 0.03 0.06 -0.25 -1.00 -1.91 0.00 0.00 174.94 171.88 3gxm s HIS 490 N 0.58 2.19 -0.16 3.50 3.76 0.57 -1.95 115.29 123.78 3gxm s HIS 490 Ca -0.05 -0.41 -0.02 0.00 -0.15 0.00 0.00 55.06 54.43 3gxm s HIS 490 Cb -0.07 -1.37 -0.02 0.00 1.11 0.00 0.00 32.58 32.23 3gxm s HIS 490 CO -0.01 0.02 -0.07 0.99 -0.85 0.00 0.00 174.74 174.82 3gxm s THR 491 N -0.66 3.49 -0.10 1.30 2.01 -0.93 -0.44 115.64 120.31 3gxm s THR 491 Ca 0.10 -0.49 0.01 0.00 0.31 0.00 0.00 61.69 61.62 3gxm s THR 491 Cb -0.09 -2.52 -0.02 0.00 0.01 0.00 0.00 72.50 69.88 3gxm s THR 491 CO 0.00 0.49 -0.13 -0.31 -0.69 0.00 0.00 174.62 173.99 3gxm s TYR 492 N 0.56 2.79 -0.01 4.92 1.51 0.45 -0.55 117.35 127.02 3gxm s TYR 492 Ca -0.05 -0.40 0.02 0.00 -1.01 0.00 0.00 57.07 55.64 3gxm s TYR 492 Cb -0.15 -1.76 -0.00 0.00 -0.11 0.00 0.00 41.96 39.94 3gxm s TYR 492 CO 0.03 -0.01 -0.08 -0.51 -1.11 0.00 0.00 175.55 173.86 3gxm s LEU 493 N -0.13 1.90 -0.02 -1.29 1.43 -0.50 -0.79 118.68 119.28 3gxm s LEU 493 Ca -0.01 -0.16 -0.27 0.00 -1.03 0.00 0.00 54.13 52.66 3gxm s LEU 493 Cb -0.14 -0.47 0.06 0.00 0.03 0.00 0.00 46.19 45.68 3gxm s LEU 493 CO 0.03 0.08 0.61 -1.66 0.23 0.00 0.00 176.35 175.65 3gxm s TRP 494 N -0.01 -0.57 0.33 0.29 -2.14 -1.02 -0.75 118.94 115.06 3gxm s TRP 494 Ca 0.00 0.88 -0.19 0.00 2.66 0.00 0.00 56.10 59.46 3gxm s TRP 494 Cb -0.06 0.38 -0.09 0.00 -3.10 0.00 0.00 33.47 30.60 3gxm s TRP 494 CO -0.00 -0.61 0.81 -1.01 -2.66 0.00 0.00 176.95 173.48 3gxm s HIS 495 N -1.58 3.46 -0.31 1.66 3.76 -1.26 -1.53 115.29 119.49 3gxm s HIS 495 Ca -0.10 1.43 0.13 0.00 -0.15 0.00 0.00 55.06 56.37 3gxm s HIS 495 Cb -0.01 -2.68 -0.17 0.00 1.11 0.00 0.00 32.58 30.83 3gxm s HIS 495 CO 0.06 0.11 0.41 0.54 -0.85 0.00 0.00 174.74 175.02 3gxm n ARG 496 N -0.06 1.64 0.00 1.40 1.74 -1.26 -4.70 116.66 115.42 3gxm n ARG 496 Ca 0.03 -0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 3gxm n ARG 496 Cb 0.52 -1.20 0.00 0.00 -1.02 0.00 0.00 32.46 30.77 3gxm n ARG 496 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11