#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 2.89 0.76 0.00 0.52 -1.18 -4.90 118.95 117.05 3gxm s ARG 2 Ca 0.00 -0.85 -0.12 0.00 -0.52 0.00 0.00 55.73 54.24 3gxm s ARG 2 Cb 0.00 -2.30 0.05 0.00 0.52 0.00 0.00 34.95 33.22 3gxm s ARG 2 CO 0.00 0.28 1.11 -1.25 0.02 0.00 0.00 175.30 175.45 3gxm s PRO 3 N 0.11 2.38 0.31 3.54 0.04 -1.26 -0.53 135.00 139.59 3gxm s PRO 3 Ca -0.11 0.50 -0.30 0.00 0.04 0.00 0.00 61.00 61.14 3gxm s PRO 3 Cb -0.16 -1.96 -0.12 0.00 0.04 0.00 0.00 34.50 32.30 3gxm s PRO 3 CO 0.06 -1.38 1.54 0.00 0.04 0.00 0.00 177.00 177.26 3gxm s ILE 5 N -0.33 5.06 0.19 0.00 1.01 -1.26 -5.02 121.20 120.84 3gxm s ILE 5 Ca 0.61 -0.94 -0.30 0.00 0.00 0.00 0.00 60.65 60.02 3gxm s ILE 5 Cb -0.51 -4.26 -0.08 0.00 0.01 0.00 0.00 42.46 37.61 3gxm s ILE 5 CO 0.53 -0.77 1.29 -2.16 0.00 0.00 0.00 174.94 173.83 3gxm s PRO 6 N 2.09 4.40 0.01 2.79 0.04 -1.26 -1.82 135.00 141.26 3gxm s PRO 6 Ca 0.08 2.01 0.02 0.00 0.04 0.00 0.00 61.00 63.16 3gxm s PRO 6 Cb -0.24 -3.21 -0.01 0.00 0.04 0.00 0.00 34.50 31.08 3gxm s PRO 6 CO 0.08 -0.24 -0.07 0.21 0.04 0.00 0.00 177.00 177.01 3gxm s LYS 7 N -0.01 0.56 0.14 4.56 2.20 -0.41 -4.95 119.74 121.83 3gxm s LYS 7 Ca 0.57 -0.43 0.03 0.00 -0.36 0.00 0.00 55.97 55.78 3gxm s LYS 7 Cb -0.36 -0.48 -0.04 0.00 -1.51 0.00 0.00 37.83 35.44 3gxm s LYS 7 CO 0.37 0.12 0.22 0.45 -0.36 0.00 0.00 175.35 176.15 3gxm s SER 8 N -0.64 6.03 -0.01 1.43 0.15 -1.26 -0.65 113.70 118.75 3gxm s SER 8 Ca -0.01 0.07 0.01 0.00 0.70 0.00 0.00 55.95 56.72 3gxm s SER 8 Cb -0.05 -1.74 0.02 0.00 -1.71 0.00 0.00 66.02 62.54 3gxm s SER 8 CO 0.00 0.07 0.82 0.49 1.20 0.00 0.00 173.24 175.83 3gxm n PHE 9 N -0.36 0.00 -0.28 3.44 3.01 -1.26 -4.98 117.46 117.03 3gxm n PHE 9 Ca -0.07 -0.10 0.00 0.00 1.01 0.00 0.00 57.45 58.29 3gxm n PHE 9 Cb 0.54 -0.04 0.00 0.00 -0.01 0.00 0.00 39.48 39.97 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 -0.13 0.72 0.16 1.37 0.00 -1.26 -4.94 105.19 101.12 3gxm n GLY 10 Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.11 -3.25 0.30 1.61 4.02 -1.26 -5.00 117.16 111.47 3gxm n TYR 11 Ca 0.00 -0.08 0.16 0.00 -0.01 0.00 0.00 57.90 57.97 3gxm n TYR 11 Cb 0.00 -0.03 0.59 0.00 -0.02 0.00 0.00 39.34 39.88 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 -0.02 0.00 -3.34 7.72 4.64 -1.90 -3.45 113.55 117.20 3gxm h SER 12 Ca -0.01 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.10 3gxm h SER 12 Cb 0.05 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.09 3gxm h SER 12 CO 0.02 0.00 -0.13 -0.24 -0.87 0.00 0.00 176.83 175.61 3gxm n SER 13 N -2.95 -0.89 -4.92 4.97 2.88 -0.34 -4.83 113.62 107.54 3gxm n SER 13 Ca 0.01 -2.34 -0.21 0.00 -1.33 0.00 0.00 58.87 55.01 3gxm n SER 13 Cb 0.33 1.68 -0.02 0.00 -0.75 0.00 0.00 64.21 65.45 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 -2.73 4.53 0.38 2.46 -7.23 -1.25 -4.39 120.40 112.17 3gxm s VAL 14 Ca 0.21 -1.15 0.07 0.00 -1.81 0.00 0.00 61.98 59.31 3gxm s VAL 14 Cb -0.00 -3.54 -0.00 0.00 0.56 0.00 0.00 36.38 33.39 3gxm s VAL 14 CO 0.15 -0.27 0.50 0.68 -0.31 0.00 0.00 175.10 175.85 3gxm s VAL 15 N -2.11 3.36 -0.18 1.32 -7.23 0.18 -4.49 120.40 111.25 3gxm s VAL 15 Ca 0.37 -1.06 -0.04 0.00 -1.81 0.00 0.00 61.98 59.44 3gxm s VAL 15 Cb -0.08 -3.15 -0.03 0.00 0.56 0.00 0.00 36.38 33.68 3gxm s VAL 15 CO 0.28 -0.07 -0.02 0.00 -0.31 0.00 0.00 175.10 174.98 3gxm s VAL 17 N 0.66 5.31 0.11 0.00 1.01 -0.75 -0.04 120.40 126.70 3gxm s VAL 17 Ca -0.01 0.37 0.08 0.00 0.00 0.00 0.00 61.98 62.42 3gxm s VAL 17 Cb -0.14 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 3gxm s VAL 17 CO 0.02 0.33 -0.21 0.00 0.00 0.00 0.00 175.10 175.24 3gxm n ASN 19 N 0.95 0.00 0.24 0.00 0.23 -0.41 -0.66 115.26 115.61 3gxm n ASN 19 Ca -0.18 -0.44 0.10 0.00 -0.53 0.00 0.00 54.58 53.52 3gxm n ASN 19 Cb 0.54 0.00 0.60 0.00 -2.08 0.00 0.00 39.78 38.84 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 1.02 1.28 0.00 -2.53 0.00 -1.90 -3.22 119.26 113.91 3gxm h ALA 20 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3gxm h ALA 20 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3gxm h ALA 20 CO 0.00 0.24 -0.83 0.25 0.00 0.00 0.00 179.25 178.91 3gxm n THR 21 N -3.72 0.00 -3.72 0.00 -2.24 -1.26 -4.14 114.28 99.20 3gxm n THR 21 Ca -0.02 -0.26 -0.15 0.00 -2.27 0.00 0.00 64.05 61.36 3gxm n THR 21 Cb 0.30 0.70 -0.15 0.00 -2.10 0.00 0.00 70.33 69.09 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 -2.15 -0.16 -0.08 4.78 5.04 -1.22 -5.13 117.35 118.43 3gxm s TYR 22 Ca 0.00 0.51 -0.06 0.00 -2.44 0.00 0.00 57.07 55.08 3gxm s TYR 22 Cb 0.06 -0.14 0.03 0.00 0.35 0.00 0.00 41.96 42.26 3gxm s TYR 22 CO 0.36 -0.20 0.20 0.00 -1.34 0.00 0.00 175.55 174.58 3gxm n ASP 24 N 3.25 3.46 -3.90 0.00 5.75 -1.26 -4.61 116.55 119.24 3gxm n ASP 24 Ca -0.16 1.18 -0.11 0.00 -0.01 0.00 0.00 54.79 55.70 3gxm n ASP 24 Cb 0.57 -1.55 -0.06 0.00 -1.03 0.00 0.00 41.12 39.05 3gxm n ASP 24 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3gxm s SER 25 N 0.14 0.18 0.29 -1.12 1.04 0.31 -4.88 113.70 109.65 3gxm s SER 25 Ca 0.60 -1.16 0.09 0.00 0.48 0.00 0.00 55.95 55.95 3gxm s SER 25 Cb -0.53 0.55 -0.04 0.00 0.10 0.00 0.00 66.02 66.10 3gxm s SER 25 CO 0.56 -1.09 0.09 -0.36 0.98 0.00 0.00 173.24 173.41 3gxm s PHE 26 N -3.86 2.79 0.71 5.02 0.40 -0.66 -3.07 117.98 119.30 3gxm s PHE 26 Ca 0.28 -0.24 -0.11 0.00 -0.60 0.00 0.00 56.93 56.26 3gxm s PHE 26 Cb 0.01 -1.38 0.03 0.00 0.51 0.00 0.00 43.02 42.19 3gxm s PHE 26 CO 0.12 0.51 1.09 -0.51 0.70 0.00 0.00 175.22 177.13 3gxm s ASP 27 N -3.77 5.29 0.34 1.36 1.01 -1.26 -4.16 116.67 115.48 3gxm s ASP 27 Ca 0.34 1.02 -0.28 0.00 0.71 0.00 0.00 52.55 54.34 3gxm s ASP 27 Cb -0.06 -1.78 -0.12 0.00 1.01 0.00 0.00 42.92 41.97 3gxm s ASP 27 CO 0.22 -1.41 1.27 -2.65 0.21 0.00 0.00 175.17 172.81 3gxm n PRO 28 N -3.02 2.08 -1.80 8.23 -0.02 -1.26 -4.79 135.00 134.41 3gxm n PRO 28 Ca 0.07 0.73 -0.42 0.00 -2.02 0.00 0.00 63.50 61.86 3gxm n PRO 28 Cb 0.58 -2.30 -0.03 0.00 -0.02 0.00 0.00 33.50 31.73 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 -1.83 4.16 -0.03 0.52 0.04 -1.26 -5.03 135.00 131.57 3gxm s PRO 29 Ca 0.56 2.51 0.07 0.00 0.04 0.00 0.00 61.00 64.18 3gxm s PRO 29 Cb -0.58 -3.25 -0.02 0.00 0.04 0.00 0.00 34.50 30.69 3gxm s PRO 29 CO 0.62 -0.73 -0.23 0.99 0.04 0.00 0.00 177.00 177.69 3gxm s THR 30 N 1.61 2.29 0.22 1.26 2.01 -1.26 -5.12 115.64 116.65 3gxm s THR 30 Ca 0.75 -1.01 -0.31 0.00 0.31 0.00 0.00 61.69 61.42 3gxm s THR 30 Cb -0.46 -1.82 -0.10 0.00 0.01 0.00 0.00 72.50 70.12 3gxm s THR 30 CO 0.33 0.58 1.50 -0.36 -0.69 0.00 0.00 174.62 175.98 3gxm s PHE 31 N -0.60 3.02 0.46 4.92 0.08 -1.26 -5.01 117.98 119.59 3gxm s PHE 31 Ca 0.09 0.86 -0.21 0.00 0.12 0.00 0.00 56.93 57.78 3gxm s PHE 31 Cb -0.10 -3.88 -0.09 0.00 -0.57 0.00 0.00 43.02 38.38 3gxm s PHE 31 CO -0.00 -3.02 1.04 -1.25 -0.10 0.00 0.00 175.22 171.89 3gxm s PRO 32 N 0.20 3.91 0.42 0.24 0.04 -1.26 -4.98 135.00 133.57 3gxm s PRO 32 Ca 0.64 1.40 -0.26 0.00 0.04 0.00 0.00 61.00 62.82 3gxm s PRO 32 Cb -0.43 -2.22 -0.10 0.00 0.04 0.00 0.00 34.50 31.79 3gxm s PRO 32 CO 0.39 -0.34 1.30 0.00 0.04 0.00 0.00 177.00 178.39 3gxm n ALA 33 N -0.71 1.43 -1.64 8.56 0.00 -1.26 -4.51 120.51 122.39 3gxm n ALA 33 Ca 0.08 0.27 -0.47 0.00 0.00 0.00 0.00 53.44 53.32 3gxm n ALA 33 Cb 0.52 -2.29 -0.03 0.00 0.00 0.00 0.00 19.45 17.64 3gxm n ALA 33 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3gxm n LEU 34 N 0.16 2.51 0.00 0.00 7.94 -1.26 -1.21 117.00 125.14 3gxm n LEU 34 Ca 0.06 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 56.10 3gxm n LEU 34 Cb 0.40 -1.34 0.00 0.00 0.53 0.00 0.00 43.42 43.00 3gxm n LEU 34 CO 0.59 -0.77 0.00 0.61 -1.11 0.00 0.00 177.39 176.72 3gxm n GLY 35 N 2.25 0.86 3.20 -3.96 0.00 -1.26 -5.06 105.19 101.22 3gxm n GLY 35 Ca 0.14 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.91 1.08 0.11 2.61 -4.23 -0.35 -0.39 115.64 111.57 3gxm s THR 36 Ca 0.00 -1.69 0.09 0.00 -1.18 0.00 0.00 61.69 58.91 3gxm s THR 36 Cb 0.00 -1.44 -0.04 0.00 1.34 0.00 0.00 72.50 72.36 3gxm s THR 36 CO 0.00 -0.52 -0.17 0.72 -0.54 0.00 0.00 174.62 174.10 3gxm s PHE 37 N -2.39 2.56 -0.09 3.99 -0.12 0.22 -4.54 117.98 117.60 3gxm s PHE 37 Ca 0.07 -0.25 -0.13 0.00 -0.05 0.00 0.00 56.93 56.57 3gxm s PHE 37 Cb -0.03 -1.36 -0.05 0.00 -0.63 0.00 0.00 43.02 40.95 3gxm s PHE 37 CO 0.01 0.39 0.31 -1.12 -0.05 0.00 0.00 175.22 174.76 3gxm s SER 38 N -2.12 6.57 -0.06 1.98 0.01 0.34 -1.64 113.70 118.78 3gxm s SER 38 Ca 0.18 0.68 0.06 0.00 1.31 0.00 0.00 55.95 58.18 3gxm s SER 38 Cb -0.11 -2.19 -0.01 0.00 0.21 0.00 0.00 66.02 63.92 3gxm s SER 38 CO 0.10 0.23 -0.24 -0.60 0.41 0.00 0.00 173.24 173.14 3gxm s ARG 39 N -0.35 2.53 -0.11 12.44 3.52 0.14 -0.56 118.95 136.57 3gxm s ARG 39 Ca 0.19 -0.89 0.02 0.00 -0.13 0.00 0.00 55.73 54.92 3gxm s ARG 39 Cb -0.14 -2.18 -0.01 0.00 -1.56 0.00 0.00 34.95 31.07 3gxm s ARG 39 CO 0.08 0.41 -0.19 0.71 -0.81 0.00 0.00 175.30 175.49 3gxm s TYR 40 N -0.22 2.68 -0.03 5.12 1.51 -0.00 -1.45 117.35 124.94 3gxm s TYR 40 Ca -0.02 -0.87 0.07 0.00 -1.01 0.00 0.00 57.07 55.24 3gxm s TYR 40 Cb -0.13 -1.77 -0.01 0.00 -0.11 0.00 0.00 41.96 39.93 3gxm s TYR 40 CO 0.03 -0.33 -0.24 -2.00 -1.11 0.00 0.00 175.55 171.90 3gxm s GLU 41 N 0.35 2.17 -0.04 -0.62 2.12 -0.18 -2.01 118.70 120.51 3gxm s GLU 41 Ca -0.15 -0.87 0.03 0.00 0.36 0.00 0.00 54.97 54.34 3gxm s GLU 41 Cb -0.17 -1.98 0.00 0.00 0.26 0.00 0.00 34.13 32.25 3gxm s GLU 41 CO 0.07 0.46 -0.11 -1.12 -0.54 0.00 0.00 175.26 174.02 3gxm s SER 42 N -0.38 1.50 0.10 -1.70 0.01 -0.22 -0.44 113.70 112.56 3gxm s SER 42 Ca 0.04 -0.24 0.03 0.00 1.31 0.00 0.00 55.95 57.09 3gxm s SER 42 Cb -0.11 -0.47 -0.04 0.00 0.21 0.00 0.00 66.02 65.61 3gxm s SER 42 CO 0.01 0.07 -0.08 0.42 0.41 0.00 0.00 173.24 174.07 3gxm s THR 43 N 0.28 0.83 0.24 1.44 -4.23 -0.58 -0.18 115.64 113.44 3gxm s THR 43 Ca -0.06 -1.77 -0.07 0.00 -1.18 0.00 0.00 61.69 58.62 3gxm s THR 43 Cb -0.11 -1.49 0.21 0.00 1.34 0.00 0.00 72.50 72.45 3gxm s THR 43 CO 0.01 -0.70 1.86 -0.09 -0.54 0.00 0.00 174.62 175.16 3gxm h ARG 44 N 3.29 1.26 -0.29 3.99 2.43 -1.79 -1.95 114.38 121.32 3gxm h ARG 44 Ca -0.36 -0.14 0.08 0.00 -0.81 0.00 0.00 59.98 58.75 3gxm h ARG 44 Cb 1.18 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 30.47 3gxm h ARG 44 CO 0.58 0.92 0.33 0.66 -1.51 0.00 0.00 179.97 180.95 3gxm h SER 45 N 1.27 0.00 0.00 -3.80 4.64 -1.89 -3.41 113.55 110.36 3gxm h SER 45 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 3gxm h SER 45 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 3gxm h SER 45 CO -0.05 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.52 3gxm n GLY 46 N -1.43 -0.38 3.75 -0.77 0.00 -0.74 -5.00 105.19 100.62 3gxm n GLY 46 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 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 4.58 -0.31 1.61 1.81 -1.22 -4.88 118.95 120.55 3gxm s ARG 47 Ca 0.00 1.84 0.01 0.00 -1.72 0.00 0.00 55.73 55.86 3gxm s ARG 47 Cb 0.00 -3.20 0.09 0.00 -0.45 0.00 0.00 34.95 31.39 3gxm s ARG 47 CO 0.00 0.10 0.05 1.03 -0.68 0.00 0.00 175.30 175.81 3gxm s ARG 48 N -1.07 1.15 -1.50 3.54 1.81 -1.26 -1.52 118.95 120.09 3gxm s ARG 48 Ca 0.47 -1.34 -0.00 0.00 -1.72 0.00 0.00 55.73 53.14 3gxm s ARG 48 Cb -0.32 -2.54 0.00 0.00 -0.45 0.00 0.00 34.95 31.64 3gxm s ARG 48 CO 0.40 -0.90 0.17 -1.33 -0.68 0.00 0.00 175.30 172.96 3gxm n MET 49 N 4.60 -1.84 -2.40 3.54 2.81 0.42 -4.89 117.12 119.37 3gxm n MET 49 Ca -0.02 0.21 -0.42 0.00 -1.81 0.00 0.00 57.70 55.66 3gxm n MET 49 Cb 0.42 -3.96 -0.03 0.00 -0.71 0.00 0.00 33.22 28.95 3gxm n MET 49 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 3gxm s GLU 50 N -7.07 4.42 -0.14 0.03 2.02 0.31 -4.59 118.70 113.68 3gxm s GLU 50 Ca 0.01 1.80 -0.21 0.00 0.02 0.00 0.00 54.97 56.59 3gxm s GLU 50 Cb -0.01 -3.34 -0.03 0.00 0.10 0.00 0.00 34.13 30.85 3gxm s GLU 50 CO 0.96 -0.28 0.63 -1.17 0.02 0.00 0.00 175.26 175.42 3gxm s LEU 51 N 1.09 4.23 0.27 1.80 2.96 -1.26 -1.01 118.68 126.77 3gxm s LEU 51 Ca 0.59 0.96 0.03 0.00 -0.22 0.00 0.00 54.13 55.50 3gxm s LEU 51 Cb -0.30 -2.93 -0.06 0.00 0.50 0.00 0.00 46.19 43.40 3gxm s LEU 51 CO 0.29 -0.17 0.04 -0.94 -1.32 0.00 0.00 176.35 174.25 3gxm s SER 52 N 0.94 1.90 0.01 3.68 1.04 -0.53 -5.01 113.70 115.72 3gxm s SER 52 Ca 0.32 -1.32 0.00 0.00 0.48 0.00 0.00 55.95 55.43 3gxm s SER 52 Cb -0.16 0.01 -0.01 0.00 0.10 0.00 0.00 66.02 65.96 3gxm s SER 52 CO 0.13 -0.60 -0.02 -0.32 0.98 0.00 0.00 173.24 173.42 3gxm s MET 53 N -3.91 0.15 0.33 4.02 1.75 -1.26 -0.68 119.30 119.70 3gxm s MET 53 Ca 0.34 -0.19 0.07 0.00 -1.25 0.00 0.00 55.69 54.65 3gxm s MET 53 Cb 0.07 -0.05 -0.03 0.00 2.84 0.00 0.00 34.83 37.67 3gxm s MET 53 CO 0.13 0.01 0.30 0.20 -0.65 0.00 0.00 175.02 175.00 3gxm s GLY 54 N -0.40 2.30 0.24 2.11 0.00 -0.65 -4.98 107.32 105.94 3gxm s GLY 54 Ca -0.04 -2.05 -0.21 0.00 0.00 0.00 0.00 44.72 42.42 3gxm s GLY 54 CO -0.00 -1.44 0.77 2.56 0.00 0.00 0.00 173.10 174.98 3gxm s PRO 55 N -3.39 4.32 -0.48 2.90 0.04 -1.26 -0.61 135.00 136.51 3gxm s PRO 55 Ca 0.40 0.96 -0.19 0.00 0.04 0.00 0.00 61.00 62.21 3gxm s PRO 55 Cb 0.02 -2.86 0.05 0.00 0.04 0.00 0.00 34.50 31.75 3gxm s PRO 55 CO 0.28 0.37 0.61 0.42 0.04 0.00 0.00 177.00 178.71 3gxm s ILE 56 N -1.55 4.89 0.69 0.56 1.01 0.48 -4.61 121.20 122.67 3gxm s ILE 56 Ca 0.45 -0.37 -0.13 0.00 0.00 0.00 0.00 60.65 60.59 3gxm s ILE 56 Cb -0.17 -4.25 0.01 0.00 0.01 0.00 0.00 42.46 38.06 3gxm s ILE 56 CO 0.21 -0.72 1.10 -1.10 0.00 0.00 0.00 174.94 174.43 3gxm s GLN 57 N 2.60 2.69 0.09 2.79 -1.52 -0.17 -4.74 119.66 121.41 3gxm s GLN 57 Ca 0.16 1.27 0.13 0.00 -1.95 0.00 0.00 55.36 54.97 3gxm s GLN 57 Cb -0.18 -1.94 -0.14 0.00 -0.22 0.00 0.00 33.01 30.52 3gxm s GLN 57 CO 0.13 -1.32 1.02 0.00 -0.25 0.00 0.00 175.29 174.88 3gxm h ALA 58 N -0.34 0.61 -2.68 6.09 0.00 -1.87 -0.27 119.26 120.80 3gxm h ALA 58 Ca -0.46 -0.95 -0.35 0.00 0.00 0.00 0.00 54.91 53.15 3gxm h ALA 58 Cb 1.24 0.15 -0.14 0.00 0.00 0.00 0.00 17.79 19.04 3gxm h ALA 58 CO 0.54 1.13 -0.56 0.54 0.00 0.00 0.00 179.25 180.89 3gxm s ASN 59 N -6.24 0.94 -0.20 0.00 2.20 -1.26 -4.78 114.94 105.60 3gxm s ASN 59 Ca -0.01 -1.56 -0.15 0.00 -0.94 0.00 0.00 52.86 50.20 3gxm s ASN 59 Cb 0.09 0.45 0.06 0.00 -2.00 0.00 0.00 41.25 39.84 3gxm s ASN 59 CO 0.80 -0.93 0.50 -2.28 -2.94 0.00 0.00 177.10 172.26 3gxm s HIS 60 N -3.80 -0.64 0.09 1.54 5.65 -1.26 -4.83 115.29 112.03 3gxm s HIS 60 Ca 0.39 1.45 0.09 0.00 0.25 0.00 0.00 55.06 57.24 3gxm s HIS 60 Cb 0.05 0.27 -0.03 0.00 -1.18 0.00 0.00 32.58 31.69 3gxm s HIS 60 CO 0.19 -0.33 -0.25 0.95 -0.65 0.00 0.00 174.74 174.66 3gxm s THR 61 N 0.79 2.02 0.00 0.89 -4.23 -1.26 -5.06 115.64 108.79 3gxm s THR 61 Ca -0.04 -1.53 0.00 0.00 -1.18 0.00 0.00 61.69 58.94 3gxm s THR 61 Cb -0.05 -1.77 0.00 0.00 1.34 0.00 0.00 72.50 72.01 3gxm s THR 61 CO -0.06 0.15 0.00 0.61 -0.54 0.00 0.00 174.62 174.78 3gxm n GLY 62 N 1.32 3.72 2.41 3.99 0.00 -1.26 -4.83 105.19 110.55 3gxm n GLY 62 Ca -0.18 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.11 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 -1.35 0.00 -1.73 2.61 -2.24 -1.26 -5.06 114.28 105.26 3gxm n THR 63 Ca 0.00 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.49 3gxm n THR 63 Cb 0.00 0.00 0.11 0.00 -2.10 0.00 0.00 70.33 68.34 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 0.00 1.58 0.18 3.38 0.00 -1.26 -5.00 107.32 106.20 3gxm s GLY 64 Ca 0.00 -0.60 -0.31 0.00 0.00 0.00 0.00 44.72 43.81 3gxm s GLY 64 CO 0.00 -0.07 1.50 -2.27 0.00 0.00 0.00 173.10 172.25 3gxm s LEU 65 N -5.80 4.37 -0.18 0.66 2.96 -1.26 -4.93 118.68 114.50 3gxm s LEU 65 Ca 0.63 2.57 -0.00 0.00 -0.22 0.00 0.00 54.13 57.11 3gxm s LEU 65 Cb -0.13 -3.60 0.04 0.00 0.50 0.00 0.00 46.19 43.01 3gxm s LEU 65 CO 0.51 -0.76 -0.07 -0.22 -1.32 0.00 0.00 176.35 174.50 3gxm s LEU 66 N 0.72 1.90 -0.29 -0.68 2.96 -1.26 -1.51 118.68 120.52 3gxm s LEU 66 Ca 0.66 -0.78 -0.17 0.00 -0.22 0.00 0.00 54.13 53.62 3gxm s LEU 66 Cb -0.42 -1.03 -0.02 0.00 0.50 0.00 0.00 46.19 45.22 3gxm s LEU 66 CO 0.34 -0.18 0.49 -0.76 -1.32 0.00 0.00 176.35 174.93 3gxm s LEU 67 N 1.54 4.14 -0.22 -0.68 1.43 0.41 -0.95 118.68 124.36 3gxm s LEU 67 Ca -0.00 0.31 -0.07 0.00 -1.03 0.00 0.00 54.13 53.34 3gxm s LEU 67 Cb -0.16 -2.60 -0.03 0.00 0.03 0.00 0.00 46.19 43.43 3gxm s LEU 67 CO -0.08 -0.33 0.05 -0.89 0.23 0.00 0.00 176.35 175.33 3gxm s THR 68 N 2.30 4.31 0.15 5.49 2.01 0.27 0.44 115.64 130.60 3gxm s THR 68 Ca 0.19 -0.19 -0.30 0.00 0.31 0.00 0.00 61.69 61.70 3gxm s THR 68 Cb -0.16 -2.98 -0.08 0.00 0.01 0.00 0.00 72.50 69.30 3gxm s THR 68 CO 0.11 0.39 1.25 -0.22 -0.69 0.00 0.00 174.62 175.46 3gxm s LEU 69 N 1.15 4.41 -0.81 4.42 2.96 0.18 -0.58 118.68 130.41 3gxm s LEU 69 Ca 0.04 2.23 0.01 0.00 -0.22 0.00 0.00 54.13 56.19 3gxm s LEU 69 Cb -0.14 -3.60 0.20 0.00 0.50 0.00 0.00 46.19 43.15 3gxm s LEU 69 CO 0.03 -0.47 0.66 -1.10 -1.32 0.00 0.00 176.35 174.15 3gxm s GLN 70 N 0.29 2.94 0.52 1.98 -0.21 -0.32 -4.66 119.66 120.20 3gxm s GLN 70 Ca 0.57 -3.28 0.32 0.00 0.02 0.00 0.00 55.36 52.99 3gxm s GLN 70 Cb -0.33 -3.75 1.47 0.00 1.00 0.00 0.00 33.01 31.40 3gxm s GLN 70 CO 0.34 -1.27 1.84 -1.00 -2.12 0.00 0.00 175.29 173.08 3gxm h PRO 71 N 5.81 0.05 -0.02 2.91 0.13 -1.94 -1.22 132.00 137.72 3gxm h PRO 71 Ca 0.15 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3gxm h PRO 71 Cb 0.79 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.91 3gxm h PRO 71 CO 0.80 0.03 -0.16 0.39 -0.23 0.00 0.00 178.00 178.83 3gxm n GLU 72 N -4.27 1.60 -3.16 0.86 -0.58 -1.26 -4.62 120.64 109.22 3gxm n GLU 72 Ca 0.23 -1.18 -0.45 0.00 -0.42 0.00 0.00 57.16 55.34 3gxm n GLU 72 Cb 1.09 -1.48 -0.04 0.00 -0.57 0.00 0.00 31.44 30.44 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 -2.21 3.14 -0.20 3.49 -0.21 -0.47 -5.04 119.66 118.16 3gxm s GLN 73 Ca 0.28 -1.55 -0.10 0.00 0.02 0.00 0.00 55.36 54.01 3gxm s GLN 73 Cb 0.20 -4.34 -0.05 0.00 1.00 0.00 0.00 33.01 29.82 3gxm s GLN 73 CO 0.41 -1.50 0.13 0.15 -2.12 0.00 0.00 175.29 172.36 3gxm s LYS 74 N 2.22 4.16 0.00 2.91 -0.14 -1.26 -1.51 119.74 126.12 3gxm s LYS 74 Ca 0.12 -0.24 0.00 0.00 -1.36 0.00 0.00 55.97 54.50 3gxm s LYS 74 Cb -0.22 -3.41 0.00 0.00 -1.68 0.00 0.00 37.83 32.52 3gxm s LYS 74 CO 0.03 0.28 0.00 1.19 -0.76 0.00 0.00 175.35 176.09 3gxm n PHE 75 N 3.59 0.00 -2.35 3.18 3.01 0.10 -4.99 117.46 120.00 3gxm n PHE 75 Ca -0.16 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 57.93 3gxm n PHE 75 Cb 0.52 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.97 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 4.47 3.90 0.24 -1.08 0.00 -1.26 -4.66 119.66 121.27 3gxm s GLN 76 Ca 0.00 1.70 -0.25 0.00 -0.00 0.00 0.00 55.36 56.81 3gxm s GLN 76 Cb 0.00 -2.46 -0.09 0.00 0.00 0.00 0.00 33.01 30.46 3gxm s GLN 76 CO 0.00 -0.41 0.83 0.15 0.00 0.00 0.00 175.29 175.86 3gxm s LYS 77 N -2.62 4.53 0.00 9.60 -0.14 -1.26 -1.29 119.74 128.56 3gxm s LYS 77 Ca 0.61 1.18 -0.24 0.00 -1.36 0.00 0.00 55.97 56.16 3gxm s LYS 77 Cb -0.27 -3.03 -0.05 0.00 -1.68 0.00 0.00 37.83 32.80 3gxm s LYS 77 CO 0.33 0.44 0.73 0.08 -0.76 0.00 0.00 175.35 176.17 3gxm s VAL 78 N -1.38 4.85 -0.13 3.17 1.01 0.21 -4.70 120.40 123.43 3gxm s VAL 78 Ca 0.42 1.55 -0.24 0.00 0.00 0.00 0.00 61.98 63.71 3gxm s VAL 78 Cb -0.21 -4.08 -0.26 0.00 0.00 0.00 0.00 36.38 31.83 3gxm s VAL 78 CO 0.25 0.33 0.68 0.50 0.00 0.00 0.00 175.10 176.86 3gxm h LYS 79 N 6.03 0.10 0.00 2.72 1.63 0.11 -0.48 116.57 126.67 3gxm h LYS 79 Ca -0.43 -0.17 0.00 0.00 -0.85 0.00 0.00 60.65 59.20 3gxm h LYS 79 Cb 1.20 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.90 3gxm h LYS 79 CO 0.72 1.08 0.00 0.41 -3.45 0.00 0.00 179.45 178.21 3gxm n GLY 80 N 1.61 0.13 3.08 5.01 0.00 -1.19 -4.45 105.19 109.39 3gxm n GLY 80 Ca -0.16 -1.44 -0.10 0.00 0.00 0.00 0.00 46.02 44.31 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 -3.00 0.14 -1.86 1.61 0.40 -1.26 -2.14 117.98 111.87 3gxm s PHE 81 Ca 0.00 -0.34 0.00 0.00 -0.60 0.00 0.00 56.93 55.99 3gxm s PHE 81 Cb 0.00 -0.11 0.00 0.00 0.51 0.00 0.00 43.02 43.42 3gxm s PHE 81 CO 0.00 -0.29 0.00 0.41 0.70 0.00 0.00 175.22 176.04 3gxm n GLY 82 N 1.26 -0.55 1.38 4.36 0.00 -1.18 -0.22 105.19 110.23 3gxm n GLY 82 Ca -0.22 -0.75 -0.04 0.00 0.00 0.00 0.00 46.02 45.02 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 1.73 3.65 -0.02 0.00 -1.13 -1.01 105.19 108.41 3gxm n GLY 83 Ca 0.00 -1.14 -0.38 0.00 0.00 0.00 0.00 46.02 44.50 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 -1.46 3.57 -1.27 4.61 0.00 -0.12 -1.26 121.76 125.83 3gxm s ALA 84 Ca 0.06 -0.71 -0.16 0.00 0.00 0.00 0.00 51.96 51.15 3gxm s ALA 84 Cb -0.02 -2.57 0.11 0.00 0.00 0.00 0.00 23.12 20.64 3gxm s ALA 84 CO 0.05 -0.36 1.65 -0.12 0.00 0.00 0.00 175.76 176.97 3gxm n MET 85 N 4.64 3.26 -1.88 0.00 1.56 0.01 -2.08 117.12 122.63 3gxm n MET 85 Ca -0.10 -3.46 -0.29 0.00 -0.27 0.00 0.00 57.70 53.57 3gxm n MET 85 Cb 0.51 -3.33 0.10 0.00 2.15 0.00 0.00 33.22 32.64 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 3.26 2.00 0.15 1.12 -4.23 -1.26 -4.27 115.64 112.40 3gxm s THR 86 Ca 0.50 0.00 -0.17 0.00 -1.18 0.00 0.00 61.69 60.84 3gxm s THR 86 Cb 0.02 -2.98 -0.01 0.00 1.34 0.00 0.00 72.50 70.87 3gxm s THR 86 CO 0.05 0.00 1.77 0.44 -0.54 0.00 0.00 174.62 176.34 3gxm h ASP 87 N -1.11 0.25 0.17 3.99 3.32 -1.89 -2.12 116.42 119.04 3gxm h ASP 87 Ca -0.46 0.01 0.01 0.00 0.02 0.00 0.00 57.03 56.61 3gxm h ASP 87 Cb 1.33 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 40.82 3gxm h ASP 87 CO 0.65 0.18 -0.24 0.00 -1.72 0.00 0.00 179.24 178.11 3gxm h ALA 88 N 1.16 -0.44 -0.63 3.45 0.00 -1.41 -0.09 119.26 121.30 3gxm h ALA 88 Ca 0.13 -0.05 0.13 0.00 0.00 0.00 0.00 54.91 55.12 3gxm h ALA 88 Cb 0.04 0.36 -0.12 0.00 0.00 0.00 0.00 17.79 18.08 3gxm h ALA 88 CO -0.09 -0.79 -0.16 0.00 0.00 0.00 0.00 179.25 178.21 3gxm h ALA 89 N 0.26 0.40 0.04 0.00 0.00 -1.58 -2.28 119.26 116.10 3gxm h ALA 89 Ca 0.01 0.24 -0.24 0.00 0.00 0.00 0.00 54.91 54.93 3gxm h ALA 89 Cb 0.47 0.49 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3gxm h ALA 89 CO -0.10 -0.43 -1.03 0.00 0.00 0.00 0.00 179.25 177.69 3gxm h ALA 90 N 1.61 0.30 -0.53 0.00 0.00 -1.07 -2.65 119.26 116.93 3gxm h ALA 90 Ca 0.30 -0.77 -0.04 0.00 0.00 0.00 0.00 54.91 54.40 3gxm h ALA 90 Cb 0.46 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3gxm h ALA 90 CO -0.65 0.89 0.18 1.25 0.00 0.00 0.00 179.25 180.92 3gxm h LEU 91 N 0.16 0.75 -0.01 0.00 5.85 -0.83 -2.07 115.31 119.16 3gxm h LEU 91 Ca -0.09 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.44 3gxm h LEU 91 Cb 1.70 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 42.53 3gxm h LEU 91 CO 0.17 0.74 0.01 0.78 -0.34 0.00 0.00 178.44 179.80 3gxm h ASN 92 N 0.72 0.01 -0.30 1.25 2.35 -1.33 -2.18 115.58 116.10 3gxm h ASN 92 Ca 0.17 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.90 3gxm h ASN 92 Cb 0.25 -0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 3gxm h ASN 92 CO -0.01 0.01 0.12 0.40 -1.65 0.00 0.00 177.43 176.30 3gxm h ILE 93 N 0.01 1.18 0.00 2.81 2.04 -1.47 -2.21 117.51 119.88 3gxm h ILE 93 Ca 0.01 -0.57 0.00 0.00 1.00 0.00 0.00 64.86 65.30 3gxm h ILE 93 Cb -0.00 1.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.08 3gxm h ILE 93 CO -0.00 0.19 0.00 0.18 0.00 0.00 0.00 178.15 178.52 3gxm n LEU 94 N -4.73 0.00 0.13 1.44 4.77 -0.78 -2.04 117.00 115.79 3gxm n LEU 94 Ca -0.02 0.48 0.13 0.00 -0.03 0.00 0.00 56.01 56.57 3gxm n LEU 94 Cb 0.14 -0.48 0.34 0.00 -2.33 0.00 0.00 43.42 41.09 3gxm n LEU 94 CO 0.36 -0.21 0.86 0.00 -1.33 0.00 0.00 177.39 177.07 3gxm h ALA 95 N 2.58 0.99 -2.37 -1.18 0.00 -0.74 -3.45 119.26 115.09 3gxm h ALA 95 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.42 3gxm h ALA 95 Cb 0.27 0.00 0.11 0.00 0.00 0.00 0.00 17.79 18.18 3gxm h ALA 95 CO 0.00 0.00 0.33 -0.51 0.00 0.00 0.00 179.25 179.07 3gxm s LEU 96 N -4.95 2.71 0.46 0.00 1.43 -0.87 -4.97 118.68 112.49 3gxm s LEU 96 Ca 0.10 1.45 -0.22 0.00 -1.03 0.00 0.00 54.13 54.43 3gxm s LEU 96 Cb 0.10 -4.10 -0.08 0.00 0.03 0.00 0.00 46.19 42.14 3gxm s LEU 96 CO 0.62 -1.95 1.05 -0.94 0.23 0.00 0.00 176.35 175.36 3gxm s SER 97 N -3.77 6.44 0.21 2.29 1.04 -1.26 -4.77 113.70 113.88 3gxm s SER 97 Ca 0.61 2.00 -0.01 0.00 0.48 0.00 0.00 55.95 59.02 3gxm s SER 97 Cb -0.15 -2.57 0.46 0.00 0.10 0.00 0.00 66.02 63.86 3gxm s SER 97 CO 0.55 -0.71 1.10 -2.65 0.98 0.00 0.00 173.24 172.50 3gxm n PRO 98 N -0.66 -0.06 -0.02 4.02 -0.01 -1.26 -1.48 135.00 135.54 3gxm n PRO 98 Ca 0.08 1.06 -0.13 0.00 -0.01 0.00 0.00 63.50 64.50 3gxm n PRO 98 Cb 0.51 -1.66 -0.01 0.00 -0.01 0.00 0.00 33.50 32.33 3gxm n PRO 98 CO 0.00 0.00 0.00 -1.35 -0.01 0.00 0.00 175.50 174.14 3gxm h PRO 99 N 0.00 0.69 -0.36 0.52 0.11 -1.92 -2.97 132.00 128.07 3gxm h PRO 99 Ca 0.40 -0.49 0.01 0.00 0.11 0.00 0.00 66.00 66.03 3gxm h PRO 99 Cb 0.75 0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.92 3gxm h PRO 99 CO -0.68 1.11 0.22 0.00 -0.21 0.00 0.00 178.00 178.44 3gxm h ALA 100 N 0.77 0.45 -0.34 -0.75 0.00 -1.41 -2.48 119.26 115.49 3gxm h ALA 100 Ca -0.01 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.93 3gxm h ALA 100 Cb 1.24 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.84 3gxm h ALA 100 CO 0.13 -0.13 -0.55 1.96 0.00 0.00 0.00 179.25 180.66 3gxm h GLN 101 N 0.44 -0.43 -0.91 0.00 4.20 -1.32 -0.53 115.11 116.56 3gxm h GLN 101 Ca 0.14 0.03 0.17 0.00 0.06 0.00 0.00 58.65 59.05 3gxm h GLN 101 Cb -0.01 0.10 -0.07 0.00 0.30 0.00 0.00 27.48 27.79 3gxm h GLN 101 CO -0.06 -0.28 0.59 -0.91 -0.67 0.00 0.00 178.83 177.50 3gxm h ASN 102 N -0.44 0.60 -0.34 1.46 2.35 -1.46 0.22 115.58 117.97 3gxm h ASN 102 Ca 0.07 0.05 -0.15 0.00 -0.55 0.00 0.00 56.30 55.72 3gxm h ASN 102 Cb 0.62 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.91 3gxm h ASN 102 CO -0.56 0.27 -0.35 -0.07 -1.65 0.00 0.00 177.43 175.08 3gxm h LEU 103 N 0.62 0.93 -0.16 1.61 3.38 -0.82 0.11 115.31 120.99 3gxm h LEU 103 Ca 0.48 -0.40 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3gxm h LEU 103 Cb 0.88 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 3gxm h LEU 103 CO -0.22 1.18 0.08 0.25 0.09 0.00 0.00 178.44 179.81 3gxm h LEU 104 N 0.73 0.20 -0.94 1.67 6.46 -0.03 -1.27 115.31 122.13 3gxm h LEU 104 Ca 0.07 -0.12 -0.08 0.00 -0.12 0.00 0.00 57.88 57.63 3gxm h LEU 104 Cb 0.92 -0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.78 3gxm h LEU 104 CO 0.09 0.27 -0.12 -0.07 -0.62 0.00 0.00 178.44 177.98 3gxm h LEU 105 N 0.13 0.62 -0.60 2.25 3.38 -0.49 -2.71 115.31 117.89 3gxm h LEU 105 Ca 0.05 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 3gxm h LEU 105 Cb 0.12 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 3gxm h LEU 105 CO -0.01 0.77 0.33 0.11 0.09 0.00 0.00 178.44 179.73 3gxm h LYS 106 N 0.58 0.84 -1.02 1.13 1.57 -0.72 -0.43 116.57 118.52 3gxm h LYS 106 Ca 0.10 -0.10 0.26 0.00 -1.87 0.00 0.00 60.65 59.04 3gxm h LYS 106 Cb 0.55 -0.16 -0.12 0.00 0.08 0.00 0.00 32.23 32.57 3gxm h LYS 106 CO 0.03 0.65 0.62 0.77 -0.57 0.00 0.00 179.45 180.95 3gxm h SER 107 N 0.82 0.60 0.04 0.86 0.02 -0.89 -1.23 113.55 113.76 3gxm h SER 107 Ca 0.21 0.13 -0.38 0.00 -0.84 0.00 0.00 61.79 60.91 3gxm h SER 107 Cb 0.05 0.04 -0.05 0.00 0.14 0.00 0.00 62.40 62.58 3gxm h SER 107 CO -0.03 0.07 -2.22 -1.22 -1.14 0.00 0.00 176.83 172.29 3gxm n TYR 108 N -4.83 0.48 0.31 3.45 0.53 -1.06 -0.22 117.16 115.82 3gxm n TYR 108 Ca 0.27 0.13 0.08 0.00 -1.02 0.00 0.00 57.90 57.36 3gxm n TYR 108 Cb 0.82 -1.06 -0.11 0.00 -1.03 0.00 0.00 39.34 37.95 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 -3.62 0.00 -2.84 -0.72 3.01 -0.20 -0.29 117.46 112.81 3gxm n PHE 109 Ca -0.42 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 57.73 3gxm n PHE 109 Cb 0.96 -0.22 -0.04 0.00 -0.01 0.00 0.00 39.48 40.16 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 -3.34 6.64 0.59 4.37 0.15 -0.47 -3.51 113.70 118.13 3gxm s SER 110 Ca -0.01 1.30 0.35 0.00 0.70 0.00 0.00 55.95 58.29 3gxm s SER 110 Cb 0.11 -2.39 1.86 0.00 -1.71 0.00 0.00 66.02 63.89 3gxm s SER 110 CO 0.68 -0.38 2.20 -0.33 1.20 0.00 0.00 173.24 176.60 3gxm h GLU 111 N 1.50 0.00 -0.10 5.44 4.39 -1.86 -0.29 114.58 123.66 3gxm h GLU 111 Ca -0.47 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.23 3gxm h GLU 111 Cb 1.18 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 3gxm h GLU 111 CO 0.64 0.04 0.00 0.39 -1.16 0.00 0.00 179.01 178.91 3gxm n GLU 112 N -3.35 1.73 0.00 2.33 4.71 -1.26 -4.68 120.64 120.12 3gxm n GLU 112 Ca -0.02 -1.08 0.00 0.00 -0.01 0.00 0.00 57.16 56.05 3gxm n GLU 112 Cb 0.17 -1.44 0.00 0.00 -1.01 0.00 0.00 31.44 29.16 3gxm n GLU 112 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3gxm n GLY 113 N 1.16 3.74 0.92 0.62 0.00 -0.13 -1.65 105.19 109.84 3gxm n GLY 113 Ca 0.17 -0.82 0.07 0.00 0.00 0.00 0.00 46.02 45.45 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 1.44 -2.56 -0.61 -5.35 0.69 -4.89 119.36 108.07 3gxm n ILE 114 Ca 0.00 -1.23 -0.11 0.00 -0.27 0.00 0.00 62.75 61.14 3gxm n ILE 114 Cb 0.00 0.27 0.01 0.00 -1.74 0.00 0.00 39.64 38.18 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 0.48 0.08 3.75 3.28 0.00 -1.04 -1.92 105.19 109.83 3gxm n GLY 115 Ca 0.17 -0.36 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.79 2.82 -0.04 1.61 4.12 0.61 -4.74 117.35 118.94 3gxm s TYR 116 Ca 0.13 0.93 0.06 0.00 0.02 0.00 0.00 57.07 58.20 3gxm s TYR 116 Cb -0.06 -3.97 0.09 0.00 -1.52 0.00 0.00 41.96 36.50 3gxm s TYR 116 CO 0.16 -3.18 0.96 0.27 0.02 0.00 0.00 175.55 173.78 3gxm n ASN 117 N 1.95 1.00 -4.05 2.29 6.94 0.69 -4.76 115.26 119.31 3gxm n ASN 117 Ca 0.06 -2.17 -0.23 0.00 -0.02 0.00 0.00 54.58 52.22 3gxm n ASN 117 Cb 0.39 -0.21 -0.16 0.00 -2.36 0.00 0.00 39.78 37.43 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 -1.03 1.10 -0.10 1.53 -1.09 -0.63 -0.78 121.20 120.22 3gxm s ILE 118 Ca 0.10 -0.52 -0.00 0.00 -2.23 0.00 0.00 60.65 58.00 3gxm s ILE 118 Cb 0.09 -0.98 0.02 0.00 -1.58 0.00 0.00 42.46 40.02 3gxm s ILE 118 CO 0.01 0.33 -0.06 -0.63 -1.23 0.00 0.00 174.94 173.36 3gxm s ILE 119 N 0.27 0.85 -0.14 2.92 1.01 -0.76 -2.84 121.20 122.51 3gxm s ILE 119 Ca -0.06 -0.20 -0.21 0.00 0.00 0.00 0.00 60.65 60.18 3gxm s ILE 119 Cb -0.12 -0.90 -0.03 0.00 0.01 0.00 0.00 42.46 41.43 3gxm s ILE 119 CO 0.02 0.33 0.61 -0.60 0.00 0.00 0.00 174.94 175.31 3gxm s ARG 120 N 1.64 4.30 -0.25 2.79 3.52 -0.39 -0.88 118.95 129.68 3gxm s ARG 120 Ca 0.03 0.65 -0.03 0.00 -0.13 0.00 0.00 55.73 56.24 3gxm s ARG 120 Cb -0.13 -3.51 0.01 0.00 -1.56 0.00 0.00 34.95 29.76 3gxm s ARG 120 CO -0.06 -0.07 -0.02 0.08 -0.81 0.00 0.00 175.30 174.42 3gxm s VAL 121 N 1.32 3.27 0.24 7.11 1.01 0.12 -0.81 120.40 132.66 3gxm s VAL 121 Ca 0.30 -0.78 -0.31 0.00 0.00 0.00 0.00 61.98 61.19 3gxm s VAL 121 Cb -0.16 -2.61 -0.11 0.00 0.00 0.00 0.00 36.38 33.50 3gxm s VAL 121 CO 0.12 0.24 1.60 -2.84 0.00 0.00 0.00 175.10 174.22 3gxm s PRO 122 N 1.41 4.16 -0.97 2.72 0.02 -1.26 -1.66 135.00 139.42 3gxm s PRO 122 Ca 0.02 2.50 -0.23 0.00 0.02 0.00 0.00 61.00 63.32 3gxm s PRO 122 Cb -0.16 -3.07 0.06 0.00 0.02 0.00 0.00 34.50 31.35 3gxm s PRO 122 CO -0.03 -0.62 1.37 -1.64 -0.33 0.00 0.00 177.00 175.75 3gxm s MET 123 N 0.21 3.54 3.01 5.54 -1.94 0.32 -4.87 119.30 125.11 3gxm s MET 123 Ca 0.67 -1.12 0.00 0.00 -1.71 0.00 0.00 55.69 53.53 3gxm s MET 123 Cb -0.47 -5.14 0.00 0.00 2.01 0.00 0.00 34.83 31.24 3gxm s MET 123 CO 0.40 -2.13 0.00 0.00 -0.01 0.00 0.00 175.02 173.29 3gxm n ALA 124 N 8.55 0.00 -1.91 3.03 0.00 -1.26 -4.36 120.51 124.56 3gxm n ALA 124 Ca 0.27 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.39 3gxm n ALA 124 Cb 0.50 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.89 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 6.91 0.00 0.00 1.04 -1.17 -4.96 113.70 111.52 3gxm s SER 125 Ca 0.00 1.58 0.00 0.00 0.48 0.00 0.00 55.95 58.01 3gxm s SER 125 Cb 0.00 -2.49 0.00 0.00 0.10 0.00 0.00 66.02 63.63 3gxm s SER 125 CO 0.00 -0.30 0.00 0.00 0.98 0.00 0.00 173.24 173.92 3gxm h ASP 127 N 0.00 0.00 -1.42 0.00 2.03 -1.96 -3.21 116.42 111.86 3gxm h ASP 127 Ca 0.00 0.00 -0.71 0.00 -0.73 0.00 0.00 57.03 55.59 3gxm h ASP 127 Cb 0.00 0.00 -0.17 0.00 -0.83 0.00 0.00 39.33 38.33 3gxm h ASP 127 CO 0.00 0.26 1.66 0.49 -1.03 0.00 0.00 179.24 180.62 3gxm n PHE 128 N -3.64 2.47 -3.99 4.15 3.01 -1.26 -2.32 117.46 115.87 3gxm n PHE 128 Ca -0.01 -2.57 -0.08 0.00 1.01 0.00 0.00 57.45 55.80 3gxm n PHE 128 Cb 0.39 -1.57 -0.09 0.00 -0.01 0.00 0.00 39.48 38.19 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 -0.09 0.31 0.00 4.37 0.01 -1.21 -1.15 113.70 115.94 3gxm s SER 129 Ca 0.52 -0.75 0.20 0.00 1.31 0.00 0.00 55.95 57.22 3gxm s SER 129 Cb 0.24 0.23 0.09 0.00 0.21 0.00 0.00 66.02 66.79 3gxm s SER 129 CO -0.15 -0.57 1.07 2.30 0.41 0.00 0.00 173.24 176.31 3gxm n ILE 130 N 0.40 0.00 -3.95 1.44 -5.35 -1.26 -2.74 119.36 107.90 3gxm n ILE 130 Ca -0.17 -0.42 -0.10 0.00 -0.27 0.00 0.00 62.75 61.80 3gxm n ILE 130 Cb 0.60 1.35 -0.06 0.00 -1.74 0.00 0.00 39.64 39.78 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 -1.89 1.25 -0.10 6.28 1.70 -1.26 -4.90 118.95 120.03 3gxm s ARG 131 Ca 0.21 -1.17 -0.09 0.00 -0.47 0.00 0.00 55.73 54.21 3gxm s ARG 131 Cb 0.16 0.41 -0.04 0.00 -0.57 0.00 0.00 34.95 34.91 3gxm s ARG 131 CO 0.35 -0.48 0.20 0.95 -1.08 0.00 0.00 175.30 175.23 3gxm s THR 132 N -3.97 5.40 0.02 4.99 -4.23 -1.26 -4.77 115.64 111.82 3gxm s THR 132 Ca 0.18 0.34 -0.28 0.00 -1.18 0.00 0.00 61.69 60.75 3gxm s THR 132 Cb 0.02 -3.47 0.10 0.00 1.34 0.00 0.00 72.50 70.49 3gxm s THR 132 CO 0.02 0.59 0.89 -0.72 -0.54 0.00 0.00 174.62 174.86 3gxm s TYR 133 N -0.88 -0.32 0.40 3.99 -0.85 -1.26 -5.05 117.35 113.37 3gxm s TYR 133 Ca 0.16 0.17 0.04 0.00 -0.52 0.00 0.00 57.07 56.92 3gxm s TYR 133 Cb -0.13 0.55 -0.03 0.00 0.38 0.00 0.00 41.96 42.73 3gxm s TYR 133 CO 0.05 -0.58 0.12 0.95 -1.52 0.00 0.00 175.55 174.57 3gxm s THR 134 N -3.15 0.68 -1.44 -3.49 -4.23 -1.26 -3.03 115.64 99.72 3gxm s THR 134 Ca 0.06 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 58.86 3gxm s THR 134 Cb -0.01 -2.40 0.45 0.00 1.34 0.00 0.00 72.50 71.88 3gxm s THR 134 CO -0.08 0.00 1.95 -1.22 -0.54 0.00 0.00 174.62 174.73 3gxm n TYR 135 N -0.89 0.00 -3.19 3.99 0.53 -1.26 -4.47 117.16 111.87 3gxm n TYR 135 Ca -0.06 0.00 -0.23 0.00 -1.02 0.00 0.00 57.90 56.59 3gxm n TYR 135 Cb 0.65 -0.27 -0.06 0.00 -1.03 0.00 0.00 39.34 38.63 3gxm n TYR 135 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3gxm n ALA 136 N -1.20 2.35 1.10 -0.72 0.00 -1.26 -1.35 120.51 119.42 3gxm n ALA 136 Ca 0.13 -3.38 0.12 0.00 0.00 0.00 0.00 53.44 50.31 3gxm n ALA 136 Cb 0.27 -0.83 0.30 0.00 0.00 0.00 0.00 19.45 19.19 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 1.28 0.72 -4.67 0.00 8.00 -1.26 -4.66 116.55 115.97 3gxm n ASP 137 Ca 0.21 -0.53 -0.42 0.00 0.71 0.00 0.00 54.79 54.77 3gxm n ASP 137 Cb 0.55 0.21 -0.03 0.00 -0.02 0.00 0.00 41.12 41.83 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 -2.79 3.32 0.35 -3.53 2.01 -1.26 -4.97 115.64 108.77 3gxm s THR 138 Ca 0.16 0.48 -0.29 0.00 0.31 0.00 0.00 61.69 62.35 3gxm s THR 138 Cb 0.18 -3.31 -0.11 0.00 0.01 0.00 0.00 72.50 69.27 3gxm s THR 138 CO 0.63 -0.03 1.52 -2.84 -0.69 0.00 0.00 174.62 173.21 3gxm s PRO 139 N 3.89 4.11 -2.08 4.92 0.02 -1.26 -3.09 135.00 141.51 3gxm s PRO 139 Ca 0.78 2.58 0.00 0.00 0.02 0.00 0.00 61.00 64.37 3gxm s PRO 139 Cb -0.37 -2.98 0.00 0.00 0.02 0.00 0.00 34.50 31.16 3gxm s PRO 139 CO 0.33 -0.57 0.00 -0.25 -0.33 0.00 0.00 177.00 176.18 3gxm n ASP 140 N 1.00 -5.60 -3.24 2.53 8.00 -1.26 -4.91 116.55 113.08 3gxm n ASP 140 Ca 0.03 0.36 -0.26 0.00 0.71 0.00 0.00 54.79 55.63 3gxm n ASP 140 Cb 0.39 -4.86 -0.02 0.00 -0.02 0.00 0.00 41.12 36.61 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 -1.55 5.28 0.26 -2.24 2.03 -1.18 -4.79 116.55 114.36 3gxm n ASP 141 Ca -0.22 -2.39 0.10 0.00 0.52 0.00 0.00 54.79 52.80 3gxm n ASP 141 Cb 0.68 -1.17 0.69 0.00 -0.72 0.00 0.00 41.12 40.60 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 6.24 0.00 0.00 -0.67 -1.00 -1.92 0.17 116.94 119.77 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 0.22 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.78 3gxm h PHE 142 CO 1.89 0.06 0.00 1.04 -1.61 0.00 0.00 178.31 179.69 3gxm n GLN 143 N -4.18 0.26 -3.77 1.51 1.13 -1.26 -4.80 117.38 106.26 3gxm n GLN 143 Ca -0.03 0.04 -0.26 0.00 -1.94 0.00 0.00 57.00 54.81 3gxm n GLN 143 Cb 0.15 -1.50 0.04 0.00 0.11 0.00 0.00 30.24 29.04 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 -1.36 -2.94 0.09 1.08 4.77 0.05 -4.93 117.00 113.76 3gxm n LEU 144 Ca 0.11 -0.73 -0.04 0.00 -0.03 0.00 0.00 56.01 55.32 3gxm n LEU 144 Cb 0.24 -2.72 0.15 0.00 -2.33 0.00 0.00 43.42 38.77 3gxm n LEU 144 CO 0.22 0.49 0.53 -0.74 -1.33 0.00 0.00 177.39 176.56 3gxm h HIS 145 N -2.17 0.29 -0.73 -1.77 2.76 -1.91 -2.95 115.15 108.66 3gxm h HIS 145 Ca -0.59 -0.10 -0.21 0.00 -2.20 0.00 0.00 60.37 57.28 3gxm h HIS 145 Cb 1.37 -0.06 -0.12 0.00 1.55 0.00 0.00 27.41 30.15 3gxm h HIS 145 CO 0.53 0.73 0.26 0.09 -1.30 0.00 0.00 177.93 178.23 3gxm n ASN 146 N -3.91 4.86 -4.66 3.26 3.02 -1.26 -4.93 115.26 111.63 3gxm n ASN 146 Ca -0.02 -3.22 -0.42 0.00 -0.03 0.00 0.00 54.58 50.89 3gxm n ASN 146 Cb 0.58 -0.74 -0.03 0.00 -0.61 0.00 0.00 39.78 38.97 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 -3.00 1.61 0.01 3.10 5.36 -1.12 -4.56 117.98 119.39 3gxm s PHE 147 Ca 0.55 -0.18 -0.20 0.00 -0.96 0.00 0.00 56.93 56.14 3gxm s PHE 147 Cb 0.44 -4.12 0.04 0.00 -0.34 0.00 0.00 43.02 39.05 3gxm s PHE 147 CO 0.13 -4.87 0.45 -1.54 -1.46 0.00 0.00 175.22 167.93 3gxm s SER 148 N 3.88 -0.35 0.01 6.13 1.04 -0.46 -5.02 113.70 118.93 3gxm s SER 148 Ca 0.82 0.19 -0.26 0.00 0.48 0.00 0.00 55.95 57.18 3gxm s SER 148 Cb -0.39 0.42 -0.04 0.00 0.10 0.00 0.00 66.02 66.10 3gxm s SER 148 CO 0.37 -0.60 0.82 -0.76 0.98 0.00 0.00 173.24 174.05 3gxm s LEU 149 N -1.64 4.40 0.93 2.42 1.43 -1.26 -4.61 118.68 120.36 3gxm s LEU 149 Ca -0.09 1.47 -0.15 0.00 -1.03 0.00 0.00 54.13 54.33 3gxm s LEU 149 Cb -0.02 -3.31 0.17 0.00 0.03 0.00 0.00 46.19 43.06 3gxm s LEU 149 CO 0.02 -0.09 1.28 -2.16 0.23 0.00 0.00 176.35 175.63 3gxm s PRO 150 N 0.41 0.90 0.52 1.29 0.04 -1.26 -4.80 135.00 132.11 3gxm s PRO 150 Ca 0.42 -0.27 0.20 0.00 0.04 0.00 0.00 61.00 61.39 3gxm s PRO 150 Cb -0.20 -1.86 1.38 0.00 0.04 0.00 0.00 34.50 33.85 3gxm s PRO 150 CO 0.24 -2.26 2.14 0.93 0.04 0.00 0.00 177.00 178.08 3gxm h GLU 151 N -1.53 0.00 -0.87 4.56 5.08 -1.98 0.11 114.58 119.94 3gxm h GLU 151 Ca -0.45 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.03 3gxm h GLU 151 Cb 1.26 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.43 3gxm h GLU 151 CO 0.45 0.05 0.49 0.93 -1.00 0.00 0.00 179.01 179.93 3gxm h GLU 152 N 0.00 0.75 0.00 2.33 3.07 -1.96 1.07 114.58 119.84 3gxm h GLU 152 Ca -0.00 -0.05 -0.00 0.00 -0.50 0.00 0.00 59.36 58.81 3gxm h GLU 152 Cb 0.09 -0.17 -0.00 0.00 -0.84 0.00 0.00 28.75 27.83 3gxm h GLU 152 CO 0.01 0.50 -0.03 -0.44 -1.40 0.00 0.00 179.01 177.64 3gxm h ASP 153 N 0.77 0.00 0.82 1.42 3.32 -1.79 -1.08 116.42 119.87 3gxm h ASP 153 Ca 0.44 -0.53 -0.04 0.00 0.02 0.00 0.00 57.03 56.92 3gxm h ASP 153 Cb 0.50 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 3gxm h ASP 153 CO -0.29 0.78 -0.21 0.71 -1.72 0.00 0.00 179.24 178.52 3gxm h THR 154 N -1.00 0.55 0.00 0.35 1.35 -0.46 0.42 112.91 114.12 3gxm h THR 154 Ca -0.01 -1.01 -0.09 0.00 -0.55 0.00 0.00 66.41 64.75 3gxm h THR 154 Cb 0.55 1.69 -0.02 0.00 -1.73 0.00 0.00 68.15 68.64 3gxm h THR 154 CO -0.00 0.20 -1.40 0.29 -0.25 0.00 0.00 175.52 174.36 3gxm n LYS 155 N -3.43 2.46 -0.00 4.72 4.76 0.37 -4.60 118.16 122.43 3gxm n LYS 155 Ca -0.00 -0.01 -0.01 0.00 -2.87 0.00 0.00 58.31 55.42 3gxm n LYS 155 Cb 0.39 -1.16 -0.00 0.00 -1.84 0.00 0.00 35.03 32.42 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 -2.13 0.17 0.33 -0.35 4.77 -1.01 -4.71 117.00 114.07 3gxm n LEU 156 Ca -0.08 0.03 -0.16 0.00 -0.03 0.00 0.00 56.01 55.76 3gxm n LEU 156 Cb 0.60 -0.36 -0.08 0.00 -2.33 0.00 0.00 43.42 41.24 3gxm n LEU 156 CO 0.13 -0.49 0.53 0.11 -1.33 0.00 0.00 177.39 176.34 3gxm h LYS 157 N -0.07 -0.81 0.25 3.23 1.57 -1.19 -2.99 116.57 116.56 3gxm h LYS 157 Ca 0.00 0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3gxm h LYS 157 Cb 0.07 0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 3gxm h LYS 157 CO 0.00 -0.50 -0.27 0.82 -0.57 0.00 0.00 179.45 178.94 3gxm h ILE 158 N -1.02 0.43 -0.53 1.86 2.04 -1.17 -2.07 117.51 117.07 3gxm h ILE 158 Ca -0.09 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.79 3gxm h ILE 158 Cb 0.69 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 3gxm h ILE 158 CO 0.14 0.00 0.35 -0.65 0.00 0.00 0.00 178.15 177.99 3gxm h PRO 159 N -0.56 0.64 -0.41 2.37 0.11 -1.78 -0.60 132.00 131.77 3gxm h PRO 159 Ca -0.00 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.01 3gxm h PRO 159 Cb 0.52 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.47 3gxm h PRO 159 CO -0.06 0.42 0.01 -0.07 -0.21 0.00 0.00 178.00 178.08 3gxm h LEU 160 N 0.66 0.61 -0.30 2.35 3.38 -1.36 -2.18 115.31 118.48 3gxm h LEU 160 Ca 0.20 -0.13 -0.16 0.00 0.09 0.00 0.00 57.88 57.89 3gxm h LEU 160 Cb 0.01 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 3gxm h LEU 160 CO -0.05 0.68 -0.42 0.40 0.09 0.00 0.00 178.44 179.14 3gxm h ILE 161 N 0.61 1.29 -0.75 1.22 2.04 -0.44 -0.95 117.51 120.53 3gxm h ILE 161 Ca 0.13 -1.61 0.08 0.00 1.00 0.00 0.00 64.86 64.46 3gxm h ILE 161 Cb 0.38 1.59 -0.07 0.00 -0.74 0.00 0.00 36.82 37.98 3gxm h ILE 161 CO 0.01 0.52 0.42 0.45 0.00 0.00 0.00 178.15 179.55 3gxm h HIS 162 N 0.59 0.76 -0.05 1.37 3.86 -1.07 -0.88 115.15 119.72 3gxm h HIS 162 Ca 0.03 0.03 -0.19 0.00 -1.16 0.00 0.00 60.37 59.08 3gxm h HIS 162 Cb 1.02 -0.23 -0.00 0.00 1.06 0.00 0.00 27.41 29.26 3gxm h HIS 162 CO 0.07 0.33 -0.78 0.00 0.86 0.00 0.00 177.93 178.41 3gxm h ARG 163 N 0.73 0.37 -0.56 2.45 3.08 -1.24 -1.48 114.38 117.72 3gxm h ARG 163 Ca 0.35 -0.32 -0.04 0.00 0.07 0.00 0.00 59.98 60.04 3gxm h ARG 163 Cb 0.29 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.39 3gxm h ARG 163 CO -0.23 0.98 0.21 0.00 -1.07 0.00 0.00 179.97 179.87 3gxm h ALA 164 N 0.92 0.73 -0.28 0.04 0.00 -0.73 -2.44 119.26 117.51 3gxm h ALA 164 Ca -0.04 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.56 3gxm h ALA 164 Cb 1.37 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 3gxm h ALA 164 CO 0.13 0.36 -0.39 -0.07 0.00 0.00 0.00 179.25 179.28 3gxm h LEU 165 N 0.77 0.68 -0.91 0.00 3.38 -1.05 -2.32 115.31 115.86 3gxm h LEU 165 Ca 0.19 -0.30 0.02 0.00 0.09 0.00 0.00 57.88 57.88 3gxm h LEU 165 Cb 0.22 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.73 3gxm h LEU 165 CO -0.01 0.99 0.60 -0.61 0.09 0.00 0.00 178.44 179.49 3gxm h GLN 166 N 0.53 1.15 0.00 1.13 5.75 -1.20 -2.97 115.11 119.50 3gxm h GLN 166 Ca 0.05 -0.07 -0.14 0.00 -0.15 0.00 0.00 58.65 58.34 3gxm h GLN 166 Cb 0.90 -0.26 -0.02 0.00 1.07 0.00 0.00 27.48 29.17 3gxm h GLN 166 CO 0.08 0.76 -0.68 -0.07 -2.65 0.00 0.00 178.83 176.27 3gxm h LEU 167 N 1.18 0.00 -9.67 -2.39 3.38 -1.20 -3.45 115.31 103.16 3gxm h LEU 167 Ca 0.35 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.80 3gxm h LEU 167 Cb -0.06 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.70 3gxm h LEU 167 CO -0.10 0.68 0.49 0.00 0.09 0.00 0.00 178.44 179.60 3gxm s ALA 168 N -3.03 3.38 0.02 1.53 0.00 -0.89 -4.30 121.76 118.47 3gxm s ALA 168 Ca 0.02 0.84 -0.10 0.00 0.00 0.00 0.00 51.96 52.72 3gxm s ALA 168 Cb 0.10 -3.36 -0.32 0.00 0.00 0.00 0.00 23.12 19.54 3gxm s ALA 168 CO 0.77 -0.23 0.94 1.96 0.00 0.00 0.00 175.76 179.20 3gxm h GLN 169 N 5.04 0.40 -7.06 0.00 1.08 -1.86 -3.47 115.11 109.25 3gxm h GLN 169 Ca -0.44 -0.68 -0.51 0.00 -1.45 0.00 0.00 58.65 55.56 3gxm h GLN 169 Cb 1.21 0.25 0.08 0.00 -0.05 0.00 0.00 27.48 28.98 3gxm h GLN 169 CO 0.72 1.31 0.47 1.03 -0.95 0.00 0.00 178.83 181.42 3gxm s ARG 170 N -2.61 3.38 0.11 1.46 0.52 -1.26 -4.99 118.95 115.56 3gxm s ARG 170 Ca -0.09 1.77 -0.35 0.00 -0.52 0.00 0.00 55.73 56.54 3gxm s ARG 170 Cb 0.05 -2.14 -0.15 0.00 0.52 0.00 0.00 34.95 33.23 3gxm s ARG 170 CO 0.90 -0.86 1.54 -2.30 0.02 0.00 0.00 175.30 174.59 3gxm n PRO 171 N -1.07 1.83 -3.85 3.54 -0.02 -1.26 -5.01 135.00 129.17 3gxm n PRO 171 Ca 0.11 0.66 -0.36 0.00 -2.02 0.00 0.00 63.50 61.89 3gxm n PRO 171 Cb 0.49 -2.40 -0.07 0.00 -0.02 0.00 0.00 33.50 31.50 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 1.08 5.34 -0.22 -1.45 1.01 -1.26 -4.80 120.40 120.10 3gxm s VAL 172 Ca 0.82 0.16 -0.08 0.00 0.00 0.00 0.00 61.98 62.87 3gxm s VAL 172 Cb -0.77 -3.38 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 3gxm s VAL 172 CO 0.42 0.53 0.10 -0.44 0.00 0.00 0.00 175.10 175.71 3gxm s SER 173 N -0.29 5.65 -0.01 3.32 0.01 0.04 -4.97 113.70 117.45 3gxm s SER 173 Ca 0.11 0.00 -0.15 0.00 1.31 0.00 0.00 55.95 57.22 3gxm s SER 173 Cb -0.12 -2.00 -0.06 0.00 0.21 0.00 0.00 66.02 64.06 3gxm s SER 173 CO 0.01 0.07 0.40 -0.76 0.41 0.00 0.00 173.24 173.37 3gxm s LEU 174 N 0.99 4.46 -0.10 2.44 1.43 -1.26 -1.83 118.68 124.82 3gxm s LEU 174 Ca 0.05 0.94 -0.01 0.00 -1.03 0.00 0.00 54.13 54.08 3gxm s LEU 174 Cb -0.14 -2.57 0.03 0.00 0.03 0.00 0.00 46.19 43.54 3gxm s LEU 174 CO 0.03 0.31 -0.05 -0.22 0.23 0.00 0.00 176.35 176.65 3gxm s LEU 175 N -1.00 1.02 -0.12 1.79 2.96 -0.06 -0.55 118.68 122.72 3gxm s LEU 175 Ca 0.23 -0.24 -0.06 0.00 -0.22 0.00 0.00 54.13 53.84 3gxm s LEU 175 Cb -0.16 -0.73 -0.04 0.00 0.50 0.00 0.00 46.19 45.76 3gxm s LEU 175 CO 0.13 -0.14 0.11 0.00 -1.32 0.00 0.00 176.35 175.13 3gxm s ALA 176 N 1.77 3.72 -0.01 5.97 0.00 -0.74 0.16 121.76 132.63 3gxm s ALA 176 Ca 0.05 -0.68 0.01 0.00 0.00 0.00 0.00 51.96 51.34 3gxm s ALA 176 Cb -0.12 -1.88 0.01 0.00 0.00 0.00 0.00 23.12 21.12 3gxm s ALA 176 CO -0.07 0.55 -0.03 -1.12 0.00 0.00 0.00 175.76 175.09 3gxm s SER 177 N -0.81 0.50 0.09 0.00 0.01 -0.67 -0.65 113.70 112.17 3gxm s SER 177 Ca 0.13 -0.07 -0.14 0.00 1.31 0.00 0.00 55.95 57.19 3gxm s SER 177 Cb -0.12 -0.13 -0.06 0.00 0.21 0.00 0.00 66.02 65.92 3gxm s SER 177 CO 0.03 0.01 0.49 -2.16 0.41 0.00 0.00 173.24 172.01 3gxm s PRO 178 N 0.25 3.95 -0.23 12.44 0.04 -1.26 -0.52 135.00 149.66 3gxm s PRO 178 Ca -0.02 0.44 -0.12 0.00 0.04 0.00 0.00 61.00 61.33 3gxm s PRO 178 Cb -0.06 -3.05 -0.17 0.00 0.04 0.00 0.00 34.50 31.26 3gxm s PRO 178 CO -0.00 0.57 -0.06 0.91 0.04 0.00 0.00 177.00 178.45 3gxm n TRP 179 N 1.17 0.48 -3.98 0.56 8.01 -1.26 -1.57 117.44 120.85 3gxm n TRP 179 Ca -0.08 0.16 -0.11 0.00 -1.31 0.00 0.00 57.50 56.16 3gxm n TRP 179 Cb 0.52 -1.05 -0.12 0.00 -2.01 0.00 0.00 31.31 28.65 3gxm n TRP 179 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.69 176.60 3gxm s THR 180 N -2.48 0.18 0.76 -0.99 -1.32 -1.26 -2.38 115.64 108.15 3gxm s THR 180 Ca -0.33 -0.73 -0.11 0.00 -1.21 0.00 0.00 61.69 59.31 3gxm s THR 180 Cb 0.10 -0.28 0.05 0.00 -1.51 0.00 0.00 72.50 70.86 3gxm s THR 180 CO 0.58 -0.35 1.08 -0.94 -2.21 0.00 0.00 174.62 172.78 3gxm s SER 181 N -1.14 4.80 0.21 8.08 1.04 -1.26 -4.98 113.70 120.45 3gxm s SER 181 Ca -0.11 1.41 -0.22 0.00 0.48 0.00 0.00 55.95 57.51 3gxm s SER 181 Cb -0.08 -2.20 -0.14 0.00 0.10 0.00 0.00 66.02 63.70 3gxm s SER 181 CO -0.01 -1.79 0.35 -2.65 0.98 0.00 0.00 173.24 170.13 3gxm n PRO 182 N -3.33 0.00 0.26 4.02 -0.02 -1.26 -4.85 135.00 129.82 3gxm n PRO 182 Ca 0.07 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.67 3gxm n PRO 182 Cb 0.55 -0.84 0.69 0.00 -0.02 0.00 0.00 33.50 33.88 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 0.70 0.66 0.00 3.45 1.35 -1.88 -2.61 112.91 114.59 3gxm h THR 183 Ca -0.25 -0.54 0.00 0.00 -0.55 0.00 0.00 66.41 65.07 3gxm h THR 183 Cb 1.21 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 68.97 3gxm h THR 183 CO 0.46 0.13 0.00 -2.67 -0.25 0.00 0.00 175.52 173.18 3gxm n TRP 184 N -3.76 0.00 1.10 4.73 4.27 -1.26 -1.93 117.44 120.60 3gxm n TRP 184 Ca -0.02 0.00 0.13 0.00 -3.89 0.00 0.00 57.50 53.72 3gxm n TRP 184 Cb 0.24 -0.42 0.43 0.00 -1.36 0.00 0.00 31.31 30.19 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 -1.42 0.41 -4.85 5.67 4.77 -0.98 -4.84 117.00 115.76 3gxm n LEU 185 Ca 0.09 0.11 -0.27 0.00 -0.03 0.00 0.00 56.01 55.91 3gxm n LEU 185 Cb 0.28 -0.29 -0.05 0.00 -2.33 0.00 0.00 43.42 41.04 3gxm n LEU 185 CO 0.24 0.09 -0.18 -0.54 -1.33 0.00 0.00 177.39 175.67 3gxm s LYS 186 N -2.85 3.11 0.40 3.23 1.02 -0.81 -0.82 119.74 123.03 3gxm s LYS 186 Ca 0.17 -0.73 0.21 0.00 0.02 0.00 0.00 55.97 55.64 3gxm s LYS 186 Cb 0.19 -2.79 0.70 0.00 -0.52 0.00 0.00 37.83 35.41 3gxm s LYS 186 CO 0.59 0.51 1.73 1.79 -0.92 0.00 0.00 175.35 179.06 3gxm h THR 187 N 1.96 0.65 -0.12 2.17 1.35 -1.01 -3.15 112.91 114.76 3gxm h THR 187 Ca -0.48 -1.38 0.00 0.00 -0.55 0.00 0.00 66.41 64.00 3gxm h THR 187 Cb 1.19 1.92 0.00 0.00 -1.73 0.00 0.00 68.15 69.53 3gxm h THR 187 CO 0.66 0.29 0.00 -0.46 -0.25 0.00 0.00 175.52 175.76 3gxm n ASN 188 N -3.38 2.43 -2.69 5.36 6.94 -1.26 -5.00 115.26 117.66 3gxm n ASN 188 Ca 0.01 -1.69 -0.16 0.00 -0.02 0.00 0.00 54.58 52.71 3gxm n ASN 188 Cb 0.50 -0.07 -0.00 0.00 -2.36 0.00 0.00 39.78 37.85 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 0.80 -0.50 3.14 4.83 0.00 -1.19 -4.99 105.19 107.29 3gxm n GLY 189 Ca 0.10 0.03 -0.09 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.75 0.82 -0.17 4.61 0.00 -1.26 -4.91 121.76 118.10 3gxm s ALA 190 Ca 0.11 -1.32 0.29 0.00 0.00 0.00 0.00 51.96 51.05 3gxm s ALA 190 Cb -0.06 0.26 1.12 0.00 0.00 0.00 0.00 23.12 24.44 3gxm s ALA 190 CO 0.14 -0.30 1.86 -0.39 0.00 0.00 0.00 175.76 177.06 3gxm h VAL 191 N 3.01 0.00 -2.44 0.00 -1.51 -1.92 -3.45 116.25 109.94 3gxm h VAL 191 Ca -0.35 -0.48 0.00 0.00 -1.23 0.00 0.00 66.70 64.64 3gxm h VAL 191 Cb 1.16 1.40 0.00 0.00 -2.13 0.00 0.00 31.29 31.72 3gxm h VAL 191 CO 0.65 0.00 0.00 -0.46 -1.23 0.00 0.00 177.57 176.53 3gxm n ASN 192 N -2.80 0.88 -0.19 4.19 6.94 -1.26 -1.64 115.26 121.38 3gxm n ASN 192 Ca 0.02 -0.56 0.01 0.00 -0.02 0.00 0.00 54.58 54.03 3gxm n ASN 192 Cb 0.32 0.00 -0.00 0.00 -2.36 0.00 0.00 39.78 37.73 3gxm n ASN 192 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3gxm n GLY 193 N 2.19 -2.04 3.69 4.83 0.00 0.18 -4.76 105.19 109.28 3gxm n GLY 193 Ca 0.00 -1.41 -0.42 0.00 0.00 0.00 0.00 46.02 44.19 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 -0.50 4.40 0.00 1.61 2.20 -1.23 -4.52 119.74 121.70 3gxm s LYS 194 Ca 0.00 1.27 0.00 0.00 -0.36 0.00 0.00 55.97 56.88 3gxm s LYS 194 Cb 0.00 -3.54 0.00 0.00 -1.51 0.00 0.00 37.83 32.78 3gxm s LYS 194 CO 0.00 -0.29 0.00 0.41 -0.36 0.00 0.00 175.35 175.11 3gxm n GLY 195 N 3.18 2.16 1.41 5.54 0.00 -0.49 -4.60 105.19 112.39 3gxm n GLY 195 Ca 0.07 -0.32 -0.12 0.00 0.00 0.00 0.00 46.02 45.65 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 2.37 -4.77 1.61 3.41 -1.26 -1.72 113.62 113.27 3gxm n SER 196 Ca 0.00 -1.83 -0.40 0.00 -0.26 0.00 0.00 58.87 56.38 3gxm n SER 196 Cb 0.00 0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 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 4.22 0.83 1.04 1.43 -1.26 -0.41 118.68 124.52 3gxm s LEU 197 Ca 0.02 2.82 -0.11 0.00 -1.03 0.00 0.00 54.13 55.83 3gxm s LEU 197 Cb -0.00 -3.85 0.09 0.00 0.03 0.00 0.00 46.19 42.46 3gxm s LEU 197 CO 0.01 -0.94 1.10 -0.54 0.23 0.00 0.00 176.35 176.21 3gxm s LYS 198 N -2.25 1.76 3.81 1.70 1.02 0.00 -4.67 119.74 121.11 3gxm s LYS 198 Ca 0.57 1.09 0.00 0.00 0.02 0.00 0.00 55.97 57.65 3gxm s LYS 198 Cb -0.42 -1.85 0.00 0.00 -0.52 0.00 0.00 37.83 35.05 3gxm s LYS 198 CO 0.54 -1.97 0.00 0.41 -0.92 0.00 0.00 175.35 173.42 3gxm n GLY 199 N -1.01 0.70 3.19 -3.33 0.00 -1.26 -4.56 105.19 98.93 3gxm n GLY 199 Ca 0.09 -0.74 -0.21 0.00 0.00 0.00 0.00 46.02 45.16 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 0.97 0.23 1.61 -1.52 -1.26 -5.07 119.66 114.61 3gxm s GLN 200 Ca 0.00 -0.94 -0.29 0.00 -1.95 0.00 0.00 55.36 52.18 3gxm s GLN 200 Cb 0.00 -1.04 -0.16 0.00 -0.22 0.00 0.00 33.01 31.59 3gxm s GLN 200 CO 0.00 0.24 0.81 -2.30 -0.25 0.00 0.00 175.29 173.80 3gxm n PRO 201 N 1.48 0.68 0.00 2.91 -0.02 -1.26 -1.39 135.00 137.39 3gxm n PRO 201 Ca -0.20 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 3gxm n PRO 201 Cb 0.54 -1.46 0.00 0.00 -0.02 0.00 0.00 33.50 32.56 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 1.66 3.25 2.71 -1.23 0.00 -1.26 -5.04 105.19 105.28 3gxm n GLY 202 Ca 0.14 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.98 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 0.01 0.44 -0.23 1.61 5.75 -0.49 -4.72 116.55 118.92 3gxm n ASP 203 Ca 0.00 -1.53 -0.02 0.00 -0.01 0.00 0.00 54.79 53.23 3gxm n ASP 203 Cb 0.00 -0.60 0.17 0.00 -1.03 0.00 0.00 41.12 39.66 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 -1.12 1.23 0.70 2.12 2.10 -1.95 0.25 117.51 120.83 3gxm h ILE 204 Ca -0.27 -0.60 -0.03 0.00 1.08 0.00 0.00 64.86 65.04 3gxm h ILE 204 Cb 0.84 0.25 0.01 0.00 -1.09 0.00 0.00 36.82 36.83 3gxm h ILE 204 CO 0.23 0.26 -0.34 1.88 -1.08 0.00 0.00 178.15 179.10 3gxm h TYR 205 N 1.04 -0.87 -0.65 2.19 0.05 -1.91 0.78 116.97 117.59 3gxm h TYR 205 Ca 0.26 -0.02 -0.00 0.00 0.05 0.00 0.00 58.73 59.02 3gxm h TYR 205 Cb 0.06 0.29 -0.03 0.00 1.01 0.00 0.00 36.73 38.06 3gxm h TYR 205 CO 0.01 -0.53 0.39 0.45 -1.05 0.00 0.00 178.16 177.44 3gxm h HIS 206 N -1.00 0.84 -0.21 4.88 3.86 -1.76 -0.99 115.15 120.76 3gxm h HIS 206 Ca -0.10 0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 59.08 3gxm h HIS 206 Cb 0.74 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 28.92 3gxm h HIS 206 CO -0.02 0.55 -0.04 1.96 0.86 0.00 0.00 177.93 181.25 3gxm h GLN 207 N 0.89 0.39 -0.75 2.45 1.08 -0.43 -2.16 115.11 116.58 3gxm h GLN 207 Ca 0.23 -0.14 0.01 0.00 -1.45 0.00 0.00 58.65 57.30 3gxm h GLN 207 Cb -0.05 -0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 27.32 3gxm h GLN 207 CO -0.05 0.63 0.49 1.15 -0.95 0.00 0.00 178.83 180.10 3gxm h THR 208 N 0.13 1.17 -0.35 -0.54 2.02 -0.49 -0.27 112.91 114.57 3gxm h THR 208 Ca 0.05 -0.34 -0.02 0.00 0.77 0.00 0.00 66.41 66.87 3gxm h THR 208 Cb 0.47 0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 66.96 3gxm h THR 208 CO 0.02 0.18 0.14 -0.25 0.37 0.00 0.00 175.52 175.97 3gxm h TRP 209 N 0.99 0.54 -0.93 3.16 -0.00 -1.20 -0.65 115.95 117.86 3gxm h TRP 209 Ca 0.28 -0.04 0.01 0.00 -0.00 0.00 0.00 58.89 59.14 3gxm h TRP 209 Cb -0.08 -0.16 -0.05 0.00 -0.00 0.00 0.00 29.16 28.87 3gxm h TRP 209 CO -0.02 0.51 0.62 0.00 -0.00 0.00 0.00 178.44 179.54 3gxm h ALA 210 N 0.98 1.19 0.00 2.65 0.00 -1.04 -2.32 119.26 120.72 3gxm h ALA 210 Ca 0.12 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3gxm h ALA 210 Cb 0.20 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 3gxm h ALA 210 CO -0.01 0.57 -0.14 0.00 0.00 0.00 0.00 179.25 179.67 3gxm h ARG 211 N 1.26 0.00 -0.31 0.00 3.08 -0.42 -2.38 114.38 115.61 3gxm h ARG 211 Ca 0.34 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.28 3gxm h ARG 211 Cb -0.14 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 3gxm h ARG 211 CO -0.08 0.14 -0.29 -0.92 -1.07 0.00 0.00 179.97 177.76 3gxm h TYR 212 N 0.00 0.73 -0.58 3.04 3.20 -0.56 -0.40 116.97 122.40 3gxm h TYR 212 Ca -0.00 -0.18 0.05 0.00 3.14 0.00 0.00 58.73 61.74 3gxm h TYR 212 Cb 0.45 -0.17 -0.05 0.00 1.54 0.00 0.00 36.73 38.50 3gxm h TYR 212 CO 0.00 0.86 0.31 0.74 -1.64 0.00 0.00 178.16 178.43 3gxm h PHE 213 N 0.55 0.58 -0.43 -3.82 -1.00 -1.31 -0.95 116.94 110.55 3gxm h PHE 213 Ca 0.07 0.02 -0.12 0.00 2.81 0.00 0.00 57.97 60.75 3gxm h PHE 213 Cb 0.77 -0.17 -0.01 0.00 3.61 0.00 0.00 35.95 40.15 3gxm h PHE 213 CO 0.03 0.29 -0.22 0.28 -1.61 0.00 0.00 178.31 177.08 3gxm h VAL 214 N 0.60 1.27 -0.51 -0.55 2.07 -1.45 -1.53 116.25 116.15 3gxm h VAL 214 Ca 0.25 -1.35 -0.10 0.00 0.82 0.00 0.00 66.70 66.32 3gxm h VAL 214 Cb 0.14 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 3gxm h VAL 214 CO -0.16 0.46 -0.07 0.11 0.02 0.00 0.00 177.57 177.93 3gxm h LYS 215 N 0.75 0.92 0.21 1.57 1.79 -0.94 0.99 116.57 121.87 3gxm h LYS 215 Ca 0.10 -0.31 -0.01 0.00 -2.18 0.00 0.00 60.65 58.26 3gxm h LYS 215 Cb 0.75 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.33 3gxm h LYS 215 CO 0.06 0.96 -0.10 0.35 -1.08 0.00 0.00 179.45 179.64 3gxm h PHE 216 N 0.83 -0.26 -0.56 -1.35 3.57 -0.95 -0.27 116.94 117.95 3gxm h PHE 216 Ca 0.14 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.70 3gxm h PHE 216 Cb 0.59 0.09 -0.06 0.00 2.79 0.00 0.00 35.95 39.37 3gxm h PHE 216 CO 0.04 -0.16 0.26 -0.07 -2.23 0.00 0.00 178.31 176.14 3gxm h LEU 217 N -0.29 0.34 0.27 0.59 3.38 -1.00 -0.33 115.31 118.26 3gxm h LEU 217 Ca -0.03 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3gxm h LEU 217 Cb 0.22 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3gxm h LEU 217 CO 0.05 0.22 -0.25 0.44 0.09 0.00 0.00 178.44 178.99 3gxm h ASP 218 N 0.49 -0.67 -0.90 -0.43 3.32 -0.65 -0.97 116.42 116.60 3gxm h ASP 218 Ca 0.26 0.06 0.08 0.00 0.02 0.00 0.00 57.03 57.45 3gxm h ASP 218 Cb 0.23 0.23 -0.06 0.00 0.22 0.00 0.00 39.33 39.94 3gxm h ASP 218 CO -0.21 -0.37 0.58 0.00 -1.72 0.00 0.00 179.24 177.52 3gxm h ALA 219 N 0.10 1.57 -0.01 3.45 0.00 -0.65 -0.39 119.26 123.32 3gxm h ALA 219 Ca -0.01 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 3gxm h ALA 219 Cb 0.50 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3gxm h ALA 219 CO -0.05 0.28 -0.64 1.88 0.00 0.00 0.00 179.25 180.72 3gxm h TYR 220 N 0.96 0.07 -0.45 0.00 -1.99 -0.93 -3.20 116.97 111.44 3gxm h TYR 220 Ca 0.40 -0.03 -0.05 0.00 2.00 0.00 0.00 58.73 61.05 3gxm h TYR 220 Cb 0.29 -0.01 -0.02 0.00 2.00 0.00 0.00 36.73 38.99 3gxm h TYR 220 CO -0.00 0.68 0.08 0.00 -0.00 0.00 0.00 178.16 178.92 3gxm h ALA 221 N 1.32 0.59 -0.13 3.88 0.00 -0.41 -0.74 119.26 123.77 3gxm h ALA 221 Ca -0.01 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.72 3gxm h ALA 221 Cb 1.13 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 3gxm h ALA 221 CO 0.09 0.31 0.17 0.93 0.00 0.00 0.00 179.25 180.74 3gxm h GLU 222 N 0.60 0.00 -0.65 0.00 5.08 -1.10 0.16 114.58 118.68 3gxm h GLU 222 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3gxm h GLU 222 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 3gxm h GLU 222 CO 0.01 0.00 0.00 0.72 -1.00 0.00 0.00 179.01 178.74 3gxm n HIS 223 N -3.68 1.35 -2.31 4.33 8.25 -0.80 -4.92 115.22 117.46 3gxm n HIS 223 Ca 0.00 -0.50 -0.15 0.00 -0.26 0.00 0.00 57.72 56.81 3gxm n HIS 223 Cb 0.28 -0.29 -0.01 0.00 1.12 0.00 0.00 29.99 31.09 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 0.69 -1.29 -4.97 -0.41 5.02 0.56 -5.01 118.16 112.75 3gxm n LYS 224 Ca 0.21 0.74 -0.32 0.00 -2.02 0.00 0.00 58.31 56.91 3gxm n LYS 224 Cb 0.83 -5.09 -0.16 0.00 -0.02 0.00 0.00 35.03 30.60 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 -4.40 2.33 -0.01 -0.35 1.43 -0.35 -5.00 118.68 112.34 3gxm s LEU 225 Ca 0.01 -0.48 0.05 0.00 -1.03 0.00 0.00 54.13 52.68 3gxm s LEU 225 Cb -0.00 -1.49 -0.03 0.00 0.03 0.00 0.00 46.19 44.70 3gxm s LEU 225 CO 0.01 0.15 -0.16 -1.58 0.23 0.00 0.00 176.35 175.00 3gxm s GLN 226 N 0.43 2.30 -0.04 1.70 0.74 -1.26 -2.67 119.66 120.86 3gxm s GLN 226 Ca -0.14 -0.83 -0.02 0.00 0.05 0.00 0.00 55.36 54.42 3gxm s GLN 226 Cb -0.17 -2.28 -0.04 0.00 1.10 0.00 0.00 33.01 31.62 3gxm s GLN 226 CO 0.06 0.58 0.09 -0.06 -0.55 0.00 0.00 175.29 175.41 3gxm s PHE 227 N -0.82 3.35 0.04 1.67 0.40 -1.26 -4.53 117.98 116.82 3gxm s PHE 227 Ca 0.13 0.28 0.06 0.00 -0.60 0.00 0.00 56.93 56.80 3gxm s PHE 227 Cb -0.11 -1.79 -0.23 0.00 0.51 0.00 0.00 43.02 41.40 3gxm s PHE 227 CO 0.03 0.58 0.96 2.35 0.70 0.00 0.00 175.22 179.84 3gxm h TRP 228 N 4.41 0.12 -2.60 0.36 7.01 -1.16 -3.43 115.95 120.65 3gxm h TRP 228 Ca -0.50 -0.08 0.05 0.00 2.11 0.00 0.00 58.89 60.46 3gxm h TRP 228 Cb 1.19 -0.00 -0.14 0.00 -2.10 0.00 0.00 29.16 28.11 3gxm h TRP 228 CO 0.66 1.10 0.37 0.00 -2.79 0.00 0.00 178.44 177.78 3gxm s ALA 229 N -2.65 -1.72 0.03 2.65 0.00 -1.05 -2.29 121.76 116.72 3gxm s ALA 229 Ca -0.03 0.78 0.04 0.00 0.00 0.00 0.00 51.96 52.74 3gxm s ALA 229 Cb 0.09 0.63 -0.02 0.00 0.00 0.00 0.00 23.12 23.81 3gxm s ALA 229 CO 0.83 -0.73 -0.12 0.14 0.00 0.00 0.00 175.76 175.88 3gxm s VAL 230 N -3.40 0.97 0.25 0.00 -7.23 -0.08 -1.79 120.40 109.13 3gxm s VAL 230 Ca 0.03 -0.89 -0.07 0.00 -1.81 0.00 0.00 61.98 59.24 3gxm s VAL 230 Cb -0.01 -0.88 -0.06 0.00 0.56 0.00 0.00 36.38 35.99 3gxm s VAL 230 CO -0.11 -0.00 0.54 0.42 -0.31 0.00 0.00 175.10 175.64 3gxm s THR 231 N -0.79 4.99 -0.10 5.32 -4.23 0.17 -1.15 115.64 119.86 3gxm s THR 231 Ca 0.01 0.24 0.28 0.00 -1.18 0.00 0.00 61.69 61.04 3gxm s THR 231 Cb -0.07 -3.67 0.29 0.00 1.34 0.00 0.00 72.50 70.39 3gxm s THR 231 CO 0.01 -0.19 1.85 0.00 -0.54 0.00 0.00 174.62 175.75 3gxm h ALA 232 N 2.14 1.00 0.00 3.99 0.00 -1.44 -3.43 119.26 121.52 3gxm h ALA 232 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3gxm h ALA 232 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3gxm h ALA 232 CO 0.68 0.00 0.00 -1.91 0.00 0.00 0.00 179.25 178.02 3gxm n GLU 233 N -2.53 0.00 -2.53 0.00 4.07 -1.26 -4.97 120.64 113.42 3gxm n GLU 233 Ca -0.00 0.00 -0.43 0.00 -0.06 0.00 0.00 57.16 56.67 3gxm n GLU 233 Cb 0.15 0.00 -0.02 0.00 -0.06 0.00 0.00 31.44 31.51 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 7.05 -1.14 4.31 2.47 -0.61 -4.20 114.94 122.81 3gxm s ASN 234 Ca 0.00 1.60 -0.25 0.00 0.42 0.00 0.00 52.86 54.63 3gxm s ASN 234 Cb 0.00 -2.54 0.01 0.00 -1.45 0.00 0.00 41.25 37.27 3gxm s ASN 234 CO 0.00 -0.66 0.75 -0.62 -3.72 0.00 0.00 177.10 172.84 3gxm n GLU 235 N 6.07 -0.86 -0.22 0.43 1.02 0.95 -4.72 120.64 123.31 3gxm n GLU 235 Ca 0.12 0.34 0.29 0.00 -0.02 0.00 0.00 57.16 57.90 3gxm n GLU 235 Cb 0.46 -3.47 0.71 0.00 -0.02 0.00 0.00 31.44 29.11 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 -2.07 0.05 0.00 3.49 0.13 -1.76 0.29 132.00 132.13 3gxm h PRO 236 Ca -0.67 -0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.42 3gxm h PRO 236 Cb 1.37 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.49 3gxm h PRO 236 CO 0.49 0.03 -0.15 0.66 -0.23 0.00 0.00 178.00 178.80 3gxm h SER 237 N 0.05 0.00 0.12 1.44 4.64 -1.86 -2.47 113.55 115.47 3gxm h SER 237 Ca 0.47 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.66 3gxm h SER 237 Cb 1.78 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.86 3gxm h SER 237 CO -0.03 0.15 -0.43 0.00 -0.87 0.00 0.00 176.83 175.65 3gxm h ALA 238 N 1.85 0.96 0.00 5.18 0.00 -0.74 -2.62 119.26 123.89 3gxm h ALA 238 Ca -0.00 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3gxm h ALA 238 Cb 0.36 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3gxm h ALA 238 CO 0.02 0.63 0.00 0.41 0.00 0.00 0.00 179.25 180.31 3gxm n GLY 239 N -0.06 -0.72 0.74 0.00 0.00 -1.15 -2.81 105.19 101.19 3gxm n GLY 239 Ca -0.02 -0.07 0.12 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.75 2.52 -4.30 0.99 4.77 -0.99 -1.40 117.00 117.85 3gxm n LEU 240 Ca 0.09 -0.87 -0.36 0.00 -0.03 0.00 0.00 56.01 54.84 3gxm n LEU 240 Cb 0.04 -0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 40.99 3gxm n LEU 240 CO 0.07 0.44 -0.34 -0.76 -1.33 0.00 0.00 177.39 175.46 3gxm s LEU 241 N -2.20 3.41 0.33 2.23 1.43 -1.12 -4.94 118.68 117.81 3gxm s LEU 241 Ca 0.24 -0.66 -0.29 0.00 -1.03 0.00 0.00 54.13 52.39 3gxm s LEU 241 Cb 0.19 -1.78 -0.12 0.00 0.03 0.00 0.00 46.19 44.51 3gxm s LEU 241 CO 0.41 -0.12 1.41 -1.54 0.23 0.00 0.00 176.35 176.74 3gxm n SER 242 N 4.79 3.23 0.00 2.29 3.41 -1.26 -1.77 113.62 124.31 3gxm n SER 242 Ca -0.16 1.19 0.00 0.00 -0.26 0.00 0.00 58.87 59.64 3gxm n SER 242 Cb 0.48 -1.53 0.00 0.00 -0.26 0.00 0.00 64.21 62.90 3gxm n SER 242 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gxm n GLY 243 N 1.13 0.67 3.66 5.00 0.00 -1.26 -4.83 105.19 109.56 3gxm n GLY 243 Ca 0.05 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.53 2.00 0.31 1.61 9.36 -0.73 -4.73 117.16 122.44 3gxm n TYR 244 Ca 0.00 0.40 0.12 0.00 3.32 0.00 0.00 57.90 61.74 3gxm n TYR 244 Cb 0.02 -2.48 0.22 0.00 -0.63 0.00 0.00 39.34 36.46 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 6.69 0.00 0.00 2.98 0.13 -1.93 0.53 132.00 140.39 3gxm h PRO 245 Ca -0.47 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.40 3gxm h PRO 245 Cb 1.30 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.37 3gxm h PRO 245 CO 0.89 0.00 -0.22 1.97 -0.23 0.00 0.00 178.00 180.41 3gxm n PHE 246 N -2.91 -0.03 -1.67 1.56 1.16 -1.26 -4.85 117.46 109.46 3gxm n PHE 246 Ca 0.04 -1.27 -0.50 0.00 -1.87 0.00 0.00 57.45 53.85 3gxm n PHE 246 Cb 0.51 0.03 -0.05 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 -0.41 1.74 -3.63 3.97 3.00 -1.25 -4.31 117.38 116.49 3gxm n GLN 247 Ca -0.01 0.63 -0.10 0.00 -0.01 0.00 0.00 57.00 57.50 3gxm n GLN 247 Cb 0.29 -2.38 -0.03 0.00 0.00 0.00 0.00 30.24 28.12 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 -2.82 -0.57 -0.05 0.00 2.96 -1.00 -4.47 118.68 112.72 3gxm s LEU 249 Ca 0.05 0.58 -0.26 0.00 -0.22 0.00 0.00 54.13 54.28 3gxm s LEU 249 Cb -0.01 1.12 -0.03 0.00 0.50 0.00 0.00 46.19 47.77 3gxm s LEU 249 CO -0.07 -0.26 0.84 -0.83 -1.32 0.00 0.00 176.35 174.70 3gxm s GLY 250 N 2.55 2.66 -0.05 7.98 0.00 -0.70 -4.33 107.32 115.43 3gxm s GLY 250 Ca 0.05 0.29 0.03 0.00 0.00 0.00 0.00 44.72 45.09 3gxm s GLY 250 CO -0.13 1.46 -0.13 -1.36 0.00 0.00 0.00 173.10 172.94 3gxm s PHE 251 N 1.08 1.37 0.76 1.90 0.40 -0.94 -4.40 117.98 118.15 3gxm s PHE 251 Ca 0.44 -0.42 -0.11 0.00 -0.60 0.00 0.00 56.93 56.23 3gxm s PHE 251 Cb -0.19 -0.97 0.05 0.00 0.51 0.00 0.00 43.02 42.42 3gxm s PHE 251 CO 0.21 -0.19 1.08 0.95 0.70 0.00 0.00 175.22 177.98 3gxm s THR 252 N 0.33 3.41 0.37 0.64 -4.23 -1.26 -4.21 115.64 110.70 3gxm s THR 252 Ca -0.08 0.46 0.08 0.00 -1.18 0.00 0.00 61.69 60.97 3gxm s THR 252 Cb -0.12 -3.23 0.31 0.00 1.34 0.00 0.00 72.50 70.80 3gxm s THR 252 CO 0.02 -0.60 1.94 1.55 -0.54 0.00 0.00 174.62 176.99 3gxm h PRO 253 N -0.93 0.68 -0.54 3.99 0.13 -1.99 -0.19 132.00 133.15 3gxm h PRO 253 Ca -0.46 -0.04 -0.05 0.00 -0.87 0.00 0.00 66.00 64.58 3gxm h PRO 253 Cb 1.25 -0.15 -0.02 0.00 0.13 0.00 0.00 31.00 32.20 3gxm h PRO 253 CO 0.59 0.45 0.15 0.93 -0.23 0.00 0.00 178.00 179.89 3gxm h GLU 254 N 0.70 0.85 -0.45 0.86 3.07 -1.93 0.30 114.58 117.99 3gxm h GLU 254 Ca 0.35 -0.19 -0.13 0.00 -0.50 0.00 0.00 59.36 58.88 3gxm h GLU 254 Cb 0.42 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.21 3gxm h GLU 254 CO -0.13 0.79 -0.24 1.25 -1.40 0.00 0.00 179.01 179.29 3gxm h HIS 255 N 0.75 1.10 0.44 4.33 2.76 -1.77 -0.76 115.15 122.00 3gxm h HIS 255 Ca 0.17 -0.28 -0.02 0.00 -2.20 0.00 0.00 60.37 58.04 3gxm h HIS 255 Cb 0.31 -0.25 0.00 0.00 1.55 0.00 0.00 27.41 29.02 3gxm h HIS 255 CO 0.02 1.09 -0.21 0.37 -1.30 0.00 0.00 177.93 177.90 3gxm h GLN 256 N 0.79 -0.57 -0.87 5.26 4.15 -0.91 0.37 115.11 123.33 3gxm h GLN 256 Ca 0.10 0.04 0.12 0.00 0.77 0.00 0.00 58.65 59.67 3gxm h GLN 256 Cb 0.82 0.13 -0.13 0.00 0.21 0.00 0.00 27.48 28.50 3gxm h GLN 256 CO 0.07 -0.34 -0.45 -0.09 -1.93 0.00 0.00 178.83 176.09 3gxm h ARG 257 N -0.67 -0.06 -0.13 1.69 2.43 -0.35 -0.58 114.38 116.71 3gxm h ARG 257 Ca -0.06 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 58.94 3gxm h ARG 257 Cb 0.49 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.05 3gxm h ARG 257 CO 0.10 -0.04 -0.65 -0.44 -1.51 0.00 0.00 179.97 177.43 3gxm h ASP 258 N -0.07 0.58 -0.69 -3.80 3.32 -0.82 -0.63 116.42 114.31 3gxm h ASP 258 Ca 0.25 -0.35 0.08 0.00 0.02 0.00 0.00 57.03 57.03 3gxm h ASP 258 Cb 0.54 -0.17 -0.06 0.00 0.22 0.00 0.00 39.33 39.86 3gxm h ASP 258 CO -0.89 1.07 0.36 0.15 -1.72 0.00 0.00 179.24 178.22 3gxm h PHE 259 N 0.37 0.66 0.14 4.55 3.57 -0.02 0.21 116.94 126.42 3gxm h PHE 259 Ca -0.01 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 3gxm h PHE 259 Cb 1.21 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.76 3gxm h PHE 259 CO 0.05 0.27 -0.07 0.82 -2.23 0.00 0.00 178.31 177.15 3gxm h ILE 260 N 0.64 1.01 0.08 1.41 2.04 -0.87 0.18 117.51 122.01 3gxm h ILE 260 Ca 0.33 -0.78 0.02 0.00 1.00 0.00 0.00 64.86 65.42 3gxm h ILE 260 Cb 0.29 1.49 -0.03 0.00 -0.74 0.00 0.00 36.82 37.83 3gxm h ILE 260 CO -0.23 0.18 -0.19 0.00 0.00 0.00 0.00 178.15 177.91 3gxm h ALA 261 N 0.20 -0.30 0.25 1.87 0.00 -0.99 0.15 119.26 120.44 3gxm h ALA 261 Ca -0.02 -0.02 -0.34 0.00 0.00 0.00 0.00 54.91 54.53 3gxm h ALA 261 Cb 0.44 0.31 0.04 0.00 0.00 0.00 0.00 17.79 18.58 3gxm h ALA 261 CO 0.03 -0.71 -1.49 0.00 0.00 0.00 0.00 179.25 177.08 3gxm h ARG 262 N -0.35 0.54 0.00 0.00 2.47 -0.66 -3.41 114.38 112.97 3gxm h ARG 262 Ca 0.03 -0.92 0.00 0.00 -1.26 0.00 0.00 59.98 57.84 3gxm h ARG 262 Cb 0.38 0.34 0.00 0.00 -1.65 0.00 0.00 29.97 29.04 3gxm h ARG 262 CO -0.12 1.44 -0.04 -0.25 0.56 0.00 0.00 179.97 181.55 3gxm n ASP 263 N -3.71 0.40 -0.10 7.04 8.00 -0.23 -4.66 116.55 123.30 3gxm n ASP 263 Ca -0.17 0.05 -0.10 0.00 0.71 0.00 0.00 54.79 55.28 3gxm n ASP 263 Cb 1.11 -0.17 0.03 0.00 -0.02 0.00 0.00 41.12 42.06 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 -0.04 0.88 0.65 0.64 5.85 -0.77 -2.05 115.31 120.47 3gxm h LEU 264 Ca 0.00 -0.37 -0.03 0.00 0.84 0.00 0.00 57.88 58.32 3gxm h LEU 264 Cb 0.04 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 40.82 3gxm h LEU 264 CO 0.00 1.13 -0.41 1.23 -0.34 0.00 0.00 178.44 180.05 3gxm h GLY 265 N 0.90 -1.17 1.12 3.75 0.00 -0.89 -2.38 103.07 104.39 3gxm h GLY 265 Ca 0.07 0.48 0.03 0.00 0.00 0.00 0.00 47.33 47.91 3gxm h GLY 265 CO 0.08 -0.39 0.54 -2.55 0.00 0.00 0.00 176.54 174.21 3gxm h PRO 266 N -0.99 1.00 -0.30 4.80 0.11 -1.75 -1.26 132.00 133.61 3gxm h PRO 266 Ca -0.09 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 65.92 3gxm h PRO 266 Cb 0.80 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.67 3gxm h PRO 266 CO 0.08 0.66 0.04 1.15 -0.21 0.00 0.00 178.00 179.72 3gxm h THR 267 N 1.03 1.24 -0.40 -1.15 2.02 -1.39 0.72 112.91 114.98 3gxm h THR 267 Ca 0.31 -0.84 -0.09 0.00 0.77 0.00 0.00 66.41 66.56 3gxm h THR 267 Cb -0.02 1.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 3gxm h THR 267 CO -0.08 0.27 -0.12 -0.07 0.37 0.00 0.00 175.52 175.89 3gxm h LEU 268 N 0.32 0.80 -0.85 2.58 3.38 -1.30 -2.66 115.31 117.58 3gxm h LEU 268 Ca 0.09 -0.37 0.10 0.00 0.09 0.00 0.00 57.88 57.78 3gxm h LEU 268 Cb 0.37 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 40.82 3gxm h LEU 268 CO 0.01 0.99 0.49 0.00 0.09 0.00 0.00 178.44 180.02 3gxm h ALA 269 N 0.84 1.22 0.00 1.53 0.00 -1.09 -2.28 119.26 119.46 3gxm h ALA 269 Ca 0.10 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3gxm h ALA 269 Cb 0.65 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3gxm h ALA 269 CO 0.04 0.11 0.00 0.09 0.00 0.00 0.00 179.25 179.50 3gxm n ASN 270 N -4.73 0.25 -4.92 0.00 4.13 0.23 -4.68 115.26 105.55 3gxm n ASN 270 Ca 0.14 0.53 -0.26 0.00 1.68 0.00 0.00 54.58 56.67 3gxm n ASN 270 Cb 0.29 -0.60 0.04 0.00 -1.54 0.00 0.00 39.78 37.97 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 -3.48 5.43 0.00 6.41 1.04 -0.86 -4.97 113.70 117.28 3gxm s SER 271 Ca 0.11 0.62 0.09 0.00 0.48 0.00 0.00 55.95 57.24 3gxm s SER 271 Cb 0.15 -1.54 0.38 0.00 0.10 0.00 0.00 66.02 65.11 3gxm s SER 271 CO 0.49 -1.16 1.26 0.35 0.98 0.00 0.00 173.24 175.17 3gxm n THR 272 N -2.62 1.32 -1.20 2.02 -2.24 -1.26 -2.84 114.28 107.46 3gxm n THR 272 Ca 0.05 0.33 -0.07 0.00 -2.27 0.00 0.00 64.05 62.09 3gxm n THR 272 Cb 0.58 -1.18 0.24 0.00 -2.10 0.00 0.00 70.33 67.87 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 -1.47 1.96 0.30 4.78 8.25 -1.26 -4.61 115.22 123.18 3gxm n HIS 273 Ca 0.02 -1.42 0.18 0.00 -0.26 0.00 0.00 57.72 56.25 3gxm n HIS 273 Cb 0.10 -0.63 0.97 0.00 1.12 0.00 0.00 29.99 31.54 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 1.67 0.00 0.00 4.41 -0.00 -1.49 -1.96 115.15 117.78 3gxm h HIS 274 Ca 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.67 3gxm h HIS 274 Cb 2.13 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 29.54 3gxm h HIS 274 CO 1.16 0.03 0.00 0.09 -0.00 0.00 0.00 177.93 179.21 3gxm n ASN 275 N -3.37 0.51 -4.72 3.10 3.02 -1.26 -4.73 115.26 107.81 3gxm n ASN 275 Ca -0.02 0.60 -0.42 0.00 -0.03 0.00 0.00 54.58 54.71 3gxm n ASN 275 Cb 0.15 -0.72 -0.03 0.00 -0.61 0.00 0.00 39.78 38.56 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 -3.19 4.26 0.50 2.41 1.01 -0.74 -4.98 120.40 119.67 3gxm s VAL 276 Ca 0.07 1.67 -0.11 0.00 0.00 0.00 0.00 61.98 63.62 3gxm s VAL 276 Cb 0.11 -4.07 -0.05 0.00 0.00 0.00 0.00 36.38 32.36 3gxm s VAL 276 CO 0.42 0.16 0.88 -0.13 0.00 0.00 0.00 175.10 176.42 3gxm s ARG 277 N 0.79 3.71 -0.13 2.72 1.81 -0.97 -4.91 118.95 121.97 3gxm s ARG 277 Ca 0.55 0.57 0.03 0.00 -1.72 0.00 0.00 55.73 55.15 3gxm s ARG 277 Cb -0.27 -2.26 0.00 0.00 -0.45 0.00 0.00 34.95 31.97 3gxm s ARG 277 CO 0.30 -0.25 -0.21 -1.17 -0.68 0.00 0.00 175.30 173.28 3gxm s LEU 278 N -4.42 2.18 -0.08 2.53 2.96 -1.26 -0.90 118.68 119.68 3gxm s LEU 278 Ca 0.53 -0.56 0.01 0.00 -0.22 0.00 0.00 54.13 53.89 3gxm s LEU 278 Cb -0.10 -1.46 -0.03 0.00 0.50 0.00 0.00 46.19 45.10 3gxm s LEU 278 CO 0.40 0.11 -0.11 -0.76 -1.32 0.00 0.00 176.35 174.67 3gxm s LEU 279 N 0.65 2.93 0.45 -0.68 1.43 -0.30 -0.23 118.68 122.92 3gxm s LEU 279 Ca -0.11 -0.15 0.08 0.00 -1.03 0.00 0.00 54.13 52.93 3gxm s LEU 279 Cb -0.16 -1.63 0.02 0.00 0.03 0.00 0.00 46.19 44.44 3gxm s LEU 279 CO 0.02 0.31 0.57 0.00 0.23 0.00 0.00 176.35 177.48 3gxm s MET 280 N -0.50 2.69 0.55 1.70 0.23 -0.07 -1.08 119.30 122.82 3gxm s MET 280 Ca 0.07 -1.37 0.00 0.00 -1.03 0.00 0.00 55.69 53.36 3gxm s MET 280 Cb -0.12 -2.66 0.00 0.00 -1.53 0.00 0.00 34.83 30.52 3gxm s MET 280 CO 0.02 -0.35 0.00 -0.11 -2.03 0.00 0.00 175.02 172.54 3gxm n LEU 281 N -1.85 0.00 -3.56 0.18 7.94 -1.26 -0.67 117.00 117.77 3gxm n LEU 281 Ca 0.08 0.00 -0.19 0.00 -1.11 0.00 0.00 56.01 54.79 3gxm n LEU 281 Cb 0.60 0.00 0.06 0.00 0.53 0.00 0.00 43.42 44.61 3gxm n LEU 281 CO 0.40 0.00 0.01 -0.67 -1.11 0.00 0.00 177.39 176.02 3gxm n ASP 282 N 5.01 -1.82 -3.07 1.96 2.03 0.90 -4.34 116.55 117.22 3gxm n ASP 282 Ca 0.00 -0.73 -0.07 0.00 0.52 0.00 0.00 54.79 54.51 3gxm n ASP 282 Cb 0.00 -4.57 0.02 0.00 -0.72 0.00 0.00 41.12 35.85 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 -4.31 -0.01 0.48 1.67 -1.08 -1.23 -0.04 116.67 112.16 3gxm s ASP 283 Ca 0.03 -1.01 -0.23 0.00 -0.52 0.00 0.00 52.55 50.82 3gxm s ASP 283 Cb -0.01 0.76 -0.07 0.00 -1.46 0.00 0.00 42.92 42.15 3gxm s ASP 283 CO 0.77 -1.50 1.29 -1.10 0.52 0.00 0.00 175.17 175.16 3gxm s GLN 284 N -2.33 3.54 0.21 4.34 -0.21 -1.26 0.05 119.66 124.00 3gxm s GLN 284 Ca 0.17 2.09 0.21 0.00 0.02 0.00 0.00 55.36 57.85 3gxm s GLN 284 Cb -0.04 -2.44 0.91 0.00 1.00 0.00 0.00 33.01 32.44 3gxm s GLN 284 CO 0.10 -0.83 1.65 2.89 -2.12 0.00 0.00 175.29 176.98 3gxm n ARG 285 N -0.56 0.15 0.26 2.91 1.85 -1.21 -2.22 116.66 117.83 3gxm n ARG 285 Ca 0.08 0.42 0.18 0.00 -1.00 0.00 0.00 57.85 57.52 3gxm n ARG 285 Cb 0.45 -1.81 0.91 0.00 -1.05 0.00 0.00 32.46 30.96 3gxm n ARG 285 CO 0.00 0.00 0.00 1.37 -0.01 0.00 0.00 177.63 178.99 3gxm h LEU 286 N 0.00 0.00 0.00 2.89 -0.00 -1.91 -0.92 115.31 115.37 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 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.96 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 -3.55 0.00 -4.71 0.17 4.77 -0.94 -4.81 117.00 107.92 3gxm n LEU 287 Ca -0.00 0.19 -0.29 0.00 -0.03 0.00 0.00 56.01 55.88 3gxm n LEU 287 Cb 0.26 -0.19 -0.07 0.00 -2.33 0.00 0.00 43.42 41.08 3gxm n LEU 287 CO 0.24 -0.05 -0.31 -0.76 -1.33 0.00 0.00 177.39 175.18 3gxm s LEU 288 N -2.39 3.52 0.00 2.23 1.43 -0.35 -2.12 118.68 121.00 3gxm s LEU 288 Ca 0.25 -0.20 0.26 0.00 -1.03 0.00 0.00 54.13 53.41 3gxm s LEU 288 Cb 0.15 -2.21 1.14 0.00 0.03 0.00 0.00 46.19 45.30 3gxm s LEU 288 CO 0.31 0.14 1.84 -0.81 0.23 0.00 0.00 176.35 178.06 3gxm n PRO 289 N 0.26 0.06 -0.04 1.29 -0.04 -1.26 -4.63 135.00 130.64 3gxm n PRO 289 Ca -0.10 0.05 -0.11 0.00 -0.04 0.00 0.00 63.50 63.30 3gxm n PRO 289 Cb 0.53 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.43 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 0.00 -1.20 -0.81 0.54 2.76 -1.93 -1.51 115.15 112.99 3gxm h HIS 290 Ca 0.00 0.05 0.20 0.00 -2.20 0.00 0.00 60.37 58.42 3gxm h HIS 290 Cb 0.42 0.56 -0.13 0.00 1.55 0.00 0.00 27.41 29.80 3gxm h HIS 290 CO 0.00 -0.46 0.13 -1.49 -1.30 0.00 0.00 177.93 174.81 3gxm h TRP 291 N -0.43 0.17 -0.33 5.26 4.06 -1.80 -0.22 115.95 122.66 3gxm h TRP 291 Ca 0.10 0.05 -0.05 0.00 2.06 0.00 0.00 58.89 61.05 3gxm h TRP 291 Cb 0.61 0.06 -0.01 0.00 -1.00 0.00 0.00 29.16 28.81 3gxm h TRP 291 CO -0.53 -0.21 -0.00 0.00 -3.56 0.00 0.00 178.44 174.14 3gxm h ALA 292 N 1.73 0.44 0.19 1.49 0.00 -1.58 -1.21 119.26 120.32 3gxm h ALA 292 Ca 0.48 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 55.15 3gxm h ALA 292 Cb 0.90 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 3gxm h ALA 292 CO -0.65 0.20 -0.49 0.87 0.00 0.00 0.00 179.25 179.19 3gxm h LYS 293 N 0.38 -0.72 -0.47 0.00 1.57 -0.63 0.35 116.57 117.05 3gxm h LYS 293 Ca 0.09 0.05 0.10 0.00 -1.87 0.00 0.00 60.65 59.02 3gxm h LYS 293 Cb 0.45 0.16 -0.10 0.00 0.08 0.00 0.00 32.23 32.83 3gxm h LYS 293 CO 0.02 -0.48 -0.19 0.28 -0.57 0.00 0.00 179.45 178.51 3gxm h VAL 294 N -0.75 0.40 -0.15 0.50 2.07 -1.03 -1.60 116.25 115.69 3gxm h VAL 294 Ca -0.02 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.40 3gxm h VAL 294 Cb 0.73 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 3gxm h VAL 294 CO -0.22 0.00 -0.30 0.58 0.02 0.00 0.00 177.57 177.65 3gxm h VAL 295 N -0.09 1.36 0.00 2.57 2.07 -1.12 -3.39 116.25 117.65 3gxm h VAL 295 Ca 0.22 -1.56 0.00 0.00 0.82 0.00 0.00 66.70 66.19 3gxm h VAL 295 Cb 0.43 2.00 0.00 0.00 -1.52 0.00 0.00 31.29 32.20 3gxm h VAL 295 CO -0.53 0.47 -1.10 0.18 0.02 0.00 0.00 177.57 176.60 3gxm n LEU 296 N -4.39 0.63 -0.44 2.57 4.77 0.12 -2.97 117.00 117.29 3gxm n LEU 296 Ca -0.07 0.14 0.02 0.00 -0.03 0.00 0.00 56.01 56.08 3gxm n LEU 296 Cb 0.47 -0.08 0.08 0.00 -2.33 0.00 0.00 43.42 41.56 3gxm n LEU 296 CO 0.43 -0.06 0.52 0.35 -1.33 0.00 0.00 177.39 177.30 3gxm n THR 297 N -2.28 0.33 -3.84 -5.08 -2.24 -0.62 -4.55 114.28 95.99 3gxm n THR 297 Ca 0.01 -0.25 -0.36 0.00 -2.27 0.00 0.00 64.05 61.18 3gxm n THR 297 Cb 0.50 -0.02 -0.13 0.00 -2.10 0.00 0.00 70.33 68.58 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 -0.80 5.07 0.62 3.42 -1.08 -1.16 -5.01 116.67 117.72 3gxm s ASP 298 Ca 0.12 -1.48 0.40 0.00 -0.52 0.00 0.00 52.55 51.06 3gxm s ASP 298 Cb 0.07 -1.77 1.97 0.00 -1.46 0.00 0.00 42.92 41.72 3gxm s ASP 298 CO 0.07 -0.36 2.21 1.55 0.52 0.00 0.00 175.17 179.16 3gxm h PRO 299 N 8.05 0.00 -0.05 4.34 0.13 -1.86 0.50 132.00 143.10 3gxm h PRO 299 Ca -0.19 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.82 3gxm h PRO 299 Cb 1.06 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 3gxm h PRO 299 CO 0.59 0.00 -0.50 0.93 -0.23 0.00 0.00 178.00 178.80 3gxm h GLU 300 N 0.00 0.14 0.08 0.86 4.39 -1.95 -2.98 114.58 115.12 3gxm h GLU 300 Ca -0.00 -0.08 -0.37 0.00 0.34 0.00 0.00 59.36 59.25 3gxm h GLU 300 Cb 0.22 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.84 3gxm h GLU 300 CO 0.00 0.61 -2.15 0.00 -1.16 0.00 0.00 179.01 176.31 3gxm n ALA 301 N -2.46 1.08 -0.26 3.43 0.00 -0.67 -4.39 120.51 117.23 3gxm n ALA 301 Ca -0.02 -0.77 0.12 0.00 0.00 0.00 0.00 53.44 52.77 3gxm n ALA 301 Cb 0.53 -0.46 0.38 0.00 0.00 0.00 0.00 19.45 19.90 3gxm n ALA 301 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gxm h ALA 302 N 0.01 1.83 0.00 0.00 0.00 -0.13 -2.54 119.26 118.42 3gxm h ALA 302 Ca -0.48 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3gxm h ALA 302 Cb 1.96 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.62 3gxm h ALA 302 CO 0.01 -0.06 0.00 1.57 0.00 0.00 0.00 179.25 180.77 3gxm h LYS 303 N 0.69 0.00 -0.00 0.00 2.10 -1.73 -2.63 116.57 115.01 3gxm h LYS 303 Ca 0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.09 3gxm h LYS 303 Cb 0.68 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.01 3gxm h LYS 303 CO -0.19 0.00 -0.47 0.66 -2.00 0.00 0.00 179.45 177.44 3gxm n TYR 304 N -2.42 0.00 -3.61 0.07 0.53 -0.96 -4.94 117.16 105.82 3gxm n TYR 304 Ca -0.00 0.00 -0.40 0.00 -1.02 0.00 0.00 57.90 56.48 3gxm n TYR 304 Cb 0.12 0.00 -0.11 0.00 -1.03 0.00 0.00 39.34 38.32 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 -2.01 4.69 0.04 -0.72 1.01 -0.99 -4.36 120.40 118.06 3gxm s VAL 305 Ca 0.08 -0.57 0.06 0.00 0.00 0.00 0.00 61.98 61.55 3gxm s VAL 305 Cb 0.11 -3.48 -0.23 0.00 0.00 0.00 0.00 36.38 32.77 3gxm s VAL 305 CO 0.46 -0.06 0.99 -0.74 0.00 0.00 0.00 175.10 175.74 3gxm h HIS 306 N 8.41 0.12 -2.82 5.22 2.76 -0.92 -3.49 115.15 124.44 3gxm h HIS 306 Ca -0.29 -0.09 0.09 0.00 -2.20 0.00 0.00 60.37 57.87 3gxm h HIS 306 Cb 1.13 -0.00 -0.05 0.00 1.55 0.00 0.00 27.41 30.04 3gxm h HIS 306 CO 0.61 1.10 0.31 0.20 -1.30 0.00 0.00 177.93 178.86 3gxm s GLY 307 N -4.89 -0.05 -0.22 5.26 0.00 -1.17 -3.47 107.32 102.79 3gxm s GLY 307 Ca -0.03 -0.27 -0.04 0.00 0.00 0.00 0.00 44.72 44.38 3gxm s GLY 307 CO 0.83 0.01 -0.03 -0.42 0.00 0.00 0.00 173.10 173.49 3gxm s ILE 308 N -3.46 3.53 -0.07 0.90 1.01 0.15 -0.89 121.20 122.37 3gxm s ILE 308 Ca 0.12 -0.44 -0.16 0.00 0.00 0.00 0.00 60.65 60.17 3gxm s ILE 308 Cb -0.05 -2.60 -0.05 0.00 0.01 0.00 0.00 42.46 39.77 3gxm s ILE 308 CO 0.06 0.42 0.43 0.00 0.00 0.00 0.00 174.94 175.86 3gxm s ALA 309 N 1.36 3.57 0.06 9.38 0.00 0.16 -0.76 121.76 135.53 3gxm s ALA 309 Ca 0.04 -0.22 0.07 0.00 0.00 0.00 0.00 51.96 51.85 3gxm s ALA 309 Cb -0.14 -2.52 -0.03 0.00 0.00 0.00 0.00 23.12 20.43 3gxm s ALA 309 CO -0.01 0.20 -0.20 0.14 0.00 0.00 0.00 175.76 175.89 3gxm s VAL 310 N -0.08 1.59 0.06 0.00 -7.23 0.39 -0.07 120.40 115.06 3gxm s VAL 310 Ca 0.24 -1.26 0.04 0.00 -1.81 0.00 0.00 61.98 59.19 3gxm s VAL 310 Cb -0.16 -1.40 -0.04 0.00 0.56 0.00 0.00 36.38 35.34 3gxm s VAL 310 CO 0.11 0.10 -0.02 -1.00 -0.31 0.00 0.00 175.10 173.98 3gxm s HIS 311 N -0.91 2.96 -0.05 2.82 3.76 0.11 -1.71 115.29 122.26 3gxm s HIS 311 Ca 0.06 -0.03 -0.02 0.00 -0.15 0.00 0.00 55.06 54.92 3gxm s HIS 311 Cb -0.09 -1.56 0.03 0.00 1.11 0.00 0.00 32.58 32.07 3gxm s HIS 311 CO 0.02 0.45 0.11 -0.46 -0.85 0.00 0.00 174.74 174.02 3gxm s TRP 312 N -1.21 -0.11 -0.30 1.40 -0.11 -0.86 -3.34 118.94 114.41 3gxm s TRP 312 Ca 0.23 0.37 -0.22 0.00 1.22 0.00 0.00 56.10 57.69 3gxm s TRP 312 Cb -0.11 -0.09 -0.00 0.00 -1.50 0.00 0.00 33.47 31.76 3gxm s TRP 312 CO 0.15 -0.13 0.73 0.71 -4.62 0.00 0.00 176.95 173.79 3gxm s TYR 313 N 0.92 3.22 -0.34 5.86 1.51 -1.26 -3.00 117.35 124.26 3gxm s TYR 313 Ca -0.07 0.77 0.27 0.00 -1.01 0.00 0.00 57.07 57.03 3gxm s TYR 313 Cb -0.10 -3.10 0.98 0.00 -0.11 0.00 0.00 41.96 39.63 3gxm s TYR 313 CO -0.04 -0.50 1.80 -0.07 -1.11 0.00 0.00 175.55 175.62 3gxm h LEU 314 N 9.30 0.00 0.00 -1.29 3.38 -1.58 -2.48 115.31 122.64 3gxm h LEU 314 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.72 3gxm h LEU 314 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 3gxm h LEU 314 CO 0.85 0.00 0.00 0.47 0.09 0.00 0.00 178.44 179.85 3gxm n ASP 315 N -2.63 0.00 -3.43 -0.43 8.00 -1.26 -3.96 116.55 112.83 3gxm n ASP 315 Ca 0.03 0.14 -0.30 0.00 0.71 0.00 0.00 54.79 55.37 3gxm n ASP 315 Cb 0.33 -0.33 -0.05 0.00 -0.02 0.00 0.00 41.12 41.05 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 -1.33 3.49 -1.53 1.24 3.01 -0.94 -5.00 117.46 116.40 3gxm n PHE 316 Ca 0.07 -3.82 -0.38 0.00 1.01 0.00 0.00 57.45 54.33 3gxm n PHE 316 Cb 0.15 -0.68 -0.07 0.00 -0.01 0.00 0.00 39.48 38.87 3gxm n PHE 316 CO 0.00 0.00 0.00 1.47 1.01 0.00 0.00 176.76 179.24 3gxm n LEU 317 N 0.66 1.60 -3.74 4.37 -0.00 -1.25 -4.93 117.00 113.72 3gxm n LEU 317 Ca 0.30 -0.25 -0.16 0.00 -0.00 0.00 0.00 56.01 55.90 3gxm n LEU 317 Cb 0.39 -1.35 -0.16 0.00 -0.00 0.00 0.00 43.42 42.30 3gxm n LEU 317 CO 0.45 -1.26 -0.33 0.00 -0.00 0.00 0.00 177.39 176.24 3gxm s ALA 318 N 11.03 0.07 0.36 1.47 0.00 -1.26 -5.18 121.76 128.26 3gxm s ALA 318 Ca 1.12 0.33 -0.06 0.00 0.00 0.00 0.00 51.96 53.35 3gxm s ALA 318 Cb -0.57 -0.39 -0.05 0.00 0.00 0.00 0.00 23.12 22.11 3gxm s ALA 318 CO 0.35 -0.23 0.66 -1.25 0.00 0.00 0.00 175.76 175.28 3gxm s PRO 319 N 1.41 3.64 0.00 0.00 0.04 -1.26 -5.04 135.00 133.79 3gxm s PRO 319 Ca -0.05 0.14 0.00 0.00 0.04 0.00 0.00 61.00 61.13 3gxm s PRO 319 Cb -0.13 -2.53 0.00 0.00 0.04 0.00 0.00 34.50 31.89 3gxm s PRO 319 CO -0.03 0.06 0.00 0.00 0.04 0.00 0.00 177.00 177.07 3gxm n ALA 320 N -1.36 0.00 0.03 8.56 0.00 -1.26 -4.61 120.51 121.87 3gxm n ALA 320 Ca -0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 3gxm n ALA 320 Cb 0.54 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.94 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 -0.10 0.00 0.00 1.63 -1.96 -1.20 116.57 114.94 3gxm h LYS 321 Ca 0.00 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 3gxm h LYS 321 Cb 0.00 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.65 3gxm h LYS 321 CO 0.00 -0.06 0.13 0.00 -3.45 0.00 0.00 179.45 176.07 3gxm h ALA 322 N 0.93 1.10 -0.07 5.00 0.00 -1.96 -0.36 119.26 123.90 3gxm h ALA 322 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3gxm h ALA 322 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3gxm h ALA 322 CO -0.10 -0.10 0.00 0.25 0.00 0.00 0.00 179.25 179.30 3gxm n THR 323 N -2.44 0.00 -0.24 0.00 -2.24 -1.18 -4.38 114.28 103.80 3gxm n THR 323 Ca -0.02 0.01 -0.02 0.00 -2.27 0.00 0.00 64.05 61.76 3gxm n THR 323 Cb 0.17 -1.00 0.17 0.00 -2.10 0.00 0.00 70.33 67.57 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 0.00 0.94 0.17 3.22 3.38 -1.36 -1.48 115.31 120.18 3gxm h LEU 324 Ca 0.00 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3gxm h LEU 324 Cb 0.00 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.51 3gxm h LEU 324 CO 0.00 0.76 -0.08 1.23 0.09 0.00 0.00 178.44 180.44 3gxm h GLY 325 N 1.09 -0.24 1.01 0.83 0.00 -0.99 -2.16 103.07 102.61 3gxm h GLY 325 Ca 0.26 0.09 0.01 0.00 0.00 0.00 0.00 47.33 47.69 3gxm h GLY 325 CO -0.04 -0.09 0.55 -2.09 0.00 0.00 0.00 176.54 174.88 3gxm h GLU 326 N -0.76 1.13 0.08 4.80 4.57 -1.29 -1.40 114.58 121.72 3gxm h GLU 326 Ca -0.02 -0.08 0.01 0.00 -1.18 0.00 0.00 59.36 58.09 3gxm h GLU 326 Cb 0.52 -0.25 -0.01 0.00 -0.16 0.00 0.00 28.75 28.84 3gxm h GLU 326 CO 0.04 0.76 -0.09 1.15 -1.18 0.00 0.00 179.01 179.69 3gxm h THR 327 N 1.16 0.78 -0.67 0.32 2.02 -1.34 -1.37 112.91 113.81 3gxm h THR 327 Ca 0.31 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.53 3gxm h THR 327 Cb -0.11 0.78 -0.05 0.00 -1.74 0.00 0.00 68.15 67.03 3gxm h THR 327 CO -0.07 0.00 0.41 -0.74 0.37 0.00 0.00 175.52 175.49 3gxm h HIS 328 N -0.20 0.76 -0.47 3.16 -0.00 -1.09 0.74 115.15 118.04 3gxm h HIS 328 Ca 0.01 0.02 0.04 0.00 -0.00 0.00 0.00 60.37 60.45 3gxm h HIS 328 Cb 0.20 -0.24 -0.04 0.00 -0.00 0.00 0.00 27.41 27.33 3gxm h HIS 328 CO -0.12 0.42 0.22 -0.09 -0.00 0.00 0.00 177.93 178.36 3gxm h ARG 329 N 0.79 0.43 -0.30 5.26 2.43 -1.04 -0.83 114.38 121.10 3gxm h ARG 329 Ca 0.28 -0.03 -0.18 0.00 -0.81 0.00 0.00 59.98 59.24 3gxm h ARG 329 Cb 0.06 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.51 3gxm h ARG 329 CO -0.12 0.28 -0.52 -0.07 -1.51 0.00 0.00 179.97 178.02 3gxm h LEU 330 N 0.44 0.98 -6.00 3.80 3.38 -0.88 -3.38 115.31 113.64 3gxm h LEU 330 Ca 0.21 -0.51 -0.57 0.00 0.09 0.00 0.00 57.88 57.10 3gxm h LEU 330 Cb 0.14 -0.28 -0.41 0.00 0.09 0.00 0.00 40.66 40.20 3gxm h LEU 330 CO -0.16 1.31 -0.86 0.49 0.09 0.00 0.00 178.44 179.31 3gxm n PHE 331 N -4.01 1.82 0.24 1.13 3.01 0.22 -4.96 117.46 114.90 3gxm n PHE 331 Ca -0.04 -3.88 0.07 0.00 1.01 0.00 0.00 57.45 54.61 3gxm n PHE 331 Cb 0.62 -0.46 0.56 0.00 -0.01 0.00 0.00 39.48 40.19 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 3.85 0.00 -0.05 -1.08 0.13 -1.35 -2.51 132.00 131.00 3gxm h PRO 332 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3gxm h PRO 332 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 3gxm h PRO 332 CO 0.66 0.14 0.00 0.09 -0.23 0.00 0.00 178.00 178.66 3gxm n ASN 333 N -4.27 1.26 -4.18 1.44 3.02 -1.26 -4.71 115.26 106.56 3gxm n ASN 333 Ca -0.03 -1.48 -0.38 0.00 -0.03 0.00 0.00 54.58 52.66 3gxm n ASN 333 Cb 0.21 -0.03 -0.10 0.00 -0.61 0.00 0.00 39.78 39.26 3gxm n ASN 333 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3gxm s THR 334 N -1.95 3.75 0.45 3.41 2.01 -0.95 -5.02 115.64 117.35 3gxm s THR 334 Ca 0.37 -1.81 -0.23 0.00 0.31 0.00 0.00 61.69 60.33 3gxm s THR 334 Cb 0.20 -3.46 -0.10 0.00 0.01 0.00 0.00 72.50 69.15 3gxm s THR 334 CO 0.32 -0.65 1.01 1.15 -0.69 0.00 0.00 174.62 175.75 3gxm n MET 335 N 4.76 1.31 -3.49 4.92 0.00 -1.23 -4.58 117.12 118.82 3gxm n MET 335 Ca -0.06 0.48 -0.38 0.00 0.00 0.00 0.00 57.70 57.74 3gxm n MET 335 Cb 0.42 -2.07 -0.06 0.00 0.00 0.00 0.00 33.22 31.50 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 -0.76 4.40 -0.03 3.17 1.43 -1.26 0.32 118.68 125.95 3gxm s LEU 336 Ca 0.65 0.85 -0.01 0.00 -1.03 0.00 0.00 54.13 54.58 3gxm s LEU 336 Cb -0.53 -2.55 0.03 0.00 0.03 0.00 0.00 46.19 43.17 3gxm s LEU 336 CO 0.56 0.24 0.05 0.12 0.23 0.00 0.00 176.35 177.54 3gxm s PHE 337 N -0.55 0.06 -0.43 0.29 5.36 0.06 -1.19 117.98 121.59 3gxm s PHE 337 Ca 0.23 0.20 -0.26 0.00 -0.96 0.00 0.00 56.93 56.14 3gxm s PHE 337 Cb -0.16 -0.40 0.02 0.00 -0.34 0.00 0.00 43.02 42.15 3gxm s PHE 337 CO 0.11 -0.16 0.97 0.00 -1.46 0.00 0.00 175.22 174.68 3gxm s ALA 338 N 1.77 3.29 -0.59 11.12 0.00 -0.97 -0.46 121.76 135.92 3gxm s ALA 338 Ca -0.00 -0.58 0.20 0.00 0.00 0.00 0.00 51.96 51.58 3gxm s ALA 338 Cb -0.12 -3.65 -0.26 0.00 0.00 0.00 0.00 23.12 19.09 3gxm s ALA 338 CO -0.03 -1.91 0.70 -1.13 0.00 0.00 0.00 175.76 173.39 3gxm n SER 339 N 7.14 0.69 -3.64 0.00 3.41 -0.70 0.58 113.62 121.09 3gxm n SER 339 Ca 0.08 -0.60 -0.05 0.00 -0.26 0.00 0.00 58.87 58.04 3gxm n SER 339 Cb 0.48 1.36 -0.07 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 -3.10 0.56 0.02 4.33 2.12 -1.17 -4.64 118.70 116.82 3gxm s GLU 340 Ca 0.02 0.94 0.00 0.00 0.36 0.00 0.00 54.97 56.29 3gxm s GLU 340 Cb 0.14 0.12 -0.02 0.00 0.26 0.00 0.00 34.13 34.64 3gxm s GLU 340 CO 0.84 -0.11 -0.03 0.00 -0.54 0.00 0.00 175.26 175.42 3gxm s ALA 341 N 1.42 0.11 0.13 6.30 0.00 -0.95 -2.02 121.76 126.75 3gxm s ALA 341 Ca -0.09 -0.51 -0.17 0.00 0.00 0.00 0.00 51.96 51.19 3gxm s ALA 341 Cb -0.04 0.13 0.04 0.00 0.00 0.00 0.00 23.12 23.25 3gxm s ALA 341 CO -0.17 -0.14 0.44 0.00 0.00 0.00 0.00 175.76 175.90 3gxm s VAL 343 N -3.80 2.11 0.00 0.00 -7.23 -1.26 -1.25 120.40 108.97 3gxm s VAL 343 Ca 0.03 -2.20 0.00 0.00 -1.81 0.00 0.00 61.98 57.99 3gxm s VAL 343 Cb 0.01 -2.56 0.00 0.00 0.56 0.00 0.00 36.38 34.39 3gxm s VAL 343 CO -0.12 -0.25 0.00 0.61 -0.31 0.00 0.00 175.10 175.03 3gxm n GLY 344 N -0.72 0.68 0.07 2.32 0.00 -1.26 -2.02 105.19 104.26 3gxm n GLY 344 Ca -0.05 -0.35 -0.06 0.00 0.00 0.00 0.00 46.02 45.56 3gxm n GLY 344 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3gxm h SER 345 N 0.00 0.00 0.00 1.61 0.87 -1.90 -3.42 113.55 110.71 3gxm h SER 345 Ca 0.00 -0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.44 3gxm h SER 345 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 3gxm h SER 345 CO 0.00 0.79 0.00 0.29 -0.53 0.00 0.00 176.83 177.38 3gxm n LYS 346 N -4.64 0.00 0.30 2.24 4.01 -1.26 -4.57 118.16 114.23 3gxm n LYS 346 Ca -0.08 0.00 0.20 0.00 -0.51 0.00 0.00 58.31 57.91 3gxm n LYS 346 Cb 0.25 0.00 1.00 0.00 -0.51 0.00 0.00 35.03 35.77 3gxm n LYS 346 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 3gxm h PHE 347 N 0.00 0.00 0.00 2.13 -0.00 -1.94 0.21 116.94 117.34 3gxm h PHE 347 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.97 57.96 3gxm h PHE 347 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 35.95 3gxm h PHE 347 CO 0.00 0.00 -0.04 0.11 -0.00 0.00 0.00 178.31 178.38 3gxm h TRP 348 N 0.00 0.00 -4.54 6.09 0.09 -2.04 -3.46 115.95 112.10 3gxm h TRP 348 Ca 0.00 0.00 -0.28 0.00 0.09 0.00 0.00 58.89 58.70 3gxm h TRP 348 Cb 0.13 0.00 -0.14 0.00 0.08 0.00 0.00 29.16 29.24 3gxm h TRP 348 CO 0.00 0.04 -0.51 -1.21 0.09 0.00 0.00 178.44 176.85 3gxm s GLU 349 N -3.68 1.41 1.35 0.12 0.41 0.73 -5.17 118.70 113.87 3gxm s GLU 349 Ca 0.01 -1.69 -0.20 0.00 -0.41 0.00 0.00 54.97 52.68 3gxm s GLU 349 Cb 0.09 0.31 0.34 0.00 -1.78 0.00 0.00 34.13 33.10 3gxm s GLU 349 CO 0.56 -0.50 0.88 1.04 -0.49 0.00 0.00 175.26 176.75 3gxm n GLN 350 N -0.38 -3.88 0.23 1.61 6.02 -1.26 -4.55 117.38 115.17 3gxm n GLN 350 Ca 0.03 -1.14 -0.14 0.00 -0.01 0.00 0.00 57.00 55.74 3gxm n GLN 350 Cb 0.64 -1.99 -0.08 0.00 1.02 0.00 0.00 30.24 29.84 3gxm n GLN 350 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 3gxm h SER 351 N -3.25 -0.49 -3.20 1.08 0.02 -1.85 -3.44 113.55 102.41 3gxm h SER 351 Ca -0.49 -0.09 -0.63 0.00 -0.84 0.00 0.00 61.79 59.74 3gxm h SER 351 Cb 1.32 0.13 -0.14 0.00 0.14 0.00 0.00 62.40 63.84 3gxm h SER 351 CO 0.34 -0.18 -0.55 -0.69 -1.14 0.00 0.00 176.83 174.61 3gxm s VAL 352 N -5.06 4.89 -0.42 2.27 1.01 -1.26 -2.44 120.40 119.39 3gxm s VAL 352 Ca -0.15 -0.00 0.02 0.00 0.00 0.00 0.00 61.98 61.84 3gxm s VAL 352 Cb 0.03 -3.18 0.13 0.00 0.00 0.00 0.00 36.38 33.36 3gxm s VAL 352 CO 0.55 0.50 0.22 -0.13 0.00 0.00 0.00 175.10 176.24 3gxm s ARG 353 N 0.04 1.19 -0.30 2.72 0.52 -1.26 -5.06 118.95 116.80 3gxm s ARG 353 Ca 0.06 -1.88 -0.28 0.00 -0.52 0.00 0.00 55.73 53.11 3gxm s ARG 353 Cb -0.12 -2.23 -0.04 0.00 0.52 0.00 0.00 34.95 33.08 3gxm s ARG 353 CO 0.01 -1.15 2.06 -0.51 0.02 0.00 0.00 175.30 175.73 3gxm s LEU 354 N 0.51 3.45 0.00 2.53 1.43 -1.26 -1.66 118.68 123.68 3gxm s LEU 354 Ca 0.17 1.55 0.00 0.00 -1.03 0.00 0.00 54.13 54.82 3gxm s LEU 354 Cb -0.24 -3.40 0.00 0.00 0.03 0.00 0.00 46.19 42.58 3gxm s LEU 354 CO -0.01 -1.96 0.00 0.61 0.23 0.00 0.00 176.35 175.22 3gxm n GLY 355 N 5.66 1.06 3.62 -3.19 0.00 -1.26 -4.27 105.19 106.80 3gxm n GLY 355 Ca 0.27 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.00 6.15 0.13 1.61 0.15 -0.67 -1.20 113.70 117.87 3gxm s SER 356 Ca 0.00 1.61 -0.10 0.00 0.70 0.00 0.00 55.95 58.16 3gxm s SER 356 Cb 0.00 -2.53 -0.08 0.00 -1.71 0.00 0.00 66.02 61.71 3gxm s SER 356 CO 0.00 -1.45 1.39 -0.25 1.20 0.00 0.00 173.24 174.13 3gxm h TRP 357 N 11.76 1.02 -0.73 3.44 2.91 -1.89 -3.06 115.95 129.40 3gxm h TRP 357 Ca -0.35 -0.40 0.16 0.00 1.13 0.00 0.00 58.89 59.43 3gxm h TRP 357 Cb 1.17 -0.18 -0.11 0.00 -0.51 0.00 0.00 29.16 29.53 3gxm h TRP 357 CO 0.93 1.21 0.15 0.22 -1.03 0.00 0.00 178.44 179.92 3gxm h ASP 358 N 0.58 -0.04 0.53 2.65 3.58 -1.97 -0.68 116.42 121.07 3gxm h ASP 358 Ca -0.01 0.15 -0.10 0.00 0.42 0.00 0.00 57.03 57.49 3gxm h ASP 358 Cb 1.24 0.22 -0.01 0.00 1.72 0.00 0.00 39.33 42.49 3gxm h ASP 358 CO 0.13 -0.06 -0.48 0.03 -2.88 0.00 0.00 179.24 175.99 3gxm h ARG 359 N 0.24 0.00 0.05 0.28 3.08 -1.96 -2.31 114.38 113.77 3gxm h ARG 359 Ca 0.41 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.45 3gxm h ARG 359 Cb 0.70 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.75 3gxm h ARG 359 CO -0.52 0.48 -0.03 0.78 -1.07 0.00 0.00 179.97 179.60 3gxm h GLY 360 N 1.54 -0.08 2.00 0.04 0.00 -1.09 -2.89 103.07 102.60 3gxm h GLY 360 Ca -0.00 0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.34 3gxm h GLY 360 CO 0.06 -0.03 -0.08 -0.33 0.00 0.00 0.00 176.54 176.16 3gxm h MET 361 N -0.20 0.00 -0.13 4.80 2.86 -0.98 -2.43 114.93 118.85 3gxm h MET 361 Ca -0.01 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.46 3gxm h MET 361 Cb 0.18 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.84 3gxm h MET 361 CO 0.01 0.08 -0.58 1.96 1.06 0.00 0.00 176.91 179.44 3gxm h GLN 362 N 0.00 0.63 0.39 1.72 4.20 -1.30 -1.91 115.11 118.84 3gxm h GLN 362 Ca -0.00 -0.50 -0.01 0.00 0.06 0.00 0.00 58.65 58.20 3gxm h GLN 362 Cb 0.25 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 3gxm h GLN 362 CO 0.01 1.12 -0.25 1.88 -0.67 0.00 0.00 178.83 180.92 3gxm h TYR 363 N 0.29 -0.66 -0.09 2.96 -1.99 -1.24 -0.85 116.97 115.39 3gxm h TYR 363 Ca -0.03 -0.01 -0.14 0.00 2.00 0.00 0.00 58.73 60.55 3gxm h TYR 363 Cb 1.22 0.24 -0.01 0.00 2.00 0.00 0.00 36.73 40.17 3gxm h TYR 363 CO 0.10 -0.39 -0.55 0.66 -0.00 0.00 0.00 178.16 177.98 3gxm h SER 364 N -0.62 0.29 -0.55 3.88 4.64 -1.52 -1.40 113.55 118.28 3gxm h SER 364 Ca -0.04 -0.16 -0.08 0.00 -0.47 0.00 0.00 61.79 61.04 3gxm h SER 364 Cb 0.52 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.50 3gxm h SER 364 CO 0.03 0.79 0.05 -0.74 -0.87 0.00 0.00 176.83 176.09 3gxm h HIS 365 N 0.20 1.05 -0.19 4.77 -0.00 -1.35 -1.27 115.15 118.35 3gxm h HIS 365 Ca 0.00 -0.15 -0.15 0.00 -0.00 0.00 0.00 60.37 60.07 3gxm h HIS 365 Cb 1.04 -0.29 -0.01 0.00 -0.00 0.00 0.00 27.41 28.15 3gxm h HIS 365 CO 0.02 0.91 -0.51 1.03 -0.00 0.00 0.00 177.93 179.39 3gxm h SER 366 N 0.91 0.59 -0.50 3.26 0.87 -0.83 -1.65 113.55 116.21 3gxm h SER 366 Ca 0.18 -0.30 -0.06 0.00 -1.23 0.00 0.00 61.79 60.38 3gxm h SER 366 Cb 0.46 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.24 3gxm h SER 366 CO 0.02 0.99 0.07 0.40 -0.53 0.00 0.00 176.83 177.78 3gxm h ILE 367 N 0.42 1.25 -0.00 2.23 2.04 -0.95 -1.01 117.51 121.50 3gxm h ILE 367 Ca 0.02 -0.95 -0.00 0.00 1.00 0.00 0.00 64.86 64.92 3gxm h ILE 367 Cb 1.03 0.90 -0.00 0.00 -0.74 0.00 0.00 36.82 38.01 3gxm h ILE 367 CO 0.09 0.34 0.00 0.40 0.00 0.00 0.00 178.15 178.99 3gxm h ILE 368 N 0.71 1.10 -0.40 -0.67 2.04 -1.15 0.40 117.51 119.53 3gxm h ILE 368 Ca 0.15 -0.29 0.08 0.00 1.00 0.00 0.00 64.86 65.79 3gxm h ILE 368 Cb 0.41 1.29 -0.07 0.00 -0.74 0.00 0.00 36.82 37.72 3gxm h ILE 368 CO 0.01 0.08 -0.02 0.74 0.00 0.00 0.00 178.15 178.95 3gxm h THR 369 N -0.12 0.67 0.16 -0.27 2.02 -1.22 0.12 112.91 114.27 3gxm h THR 369 Ca 0.00 -0.03 0.01 0.00 0.77 0.00 0.00 66.41 67.17 3gxm h THR 369 Cb 0.12 0.59 -0.03 0.00 -1.74 0.00 0.00 68.15 67.09 3gxm h THR 369 CO -0.00 0.01 -0.24 0.78 0.37 0.00 0.00 175.52 176.45 3gxm h ASN 370 N 0.08 -0.66 0.03 4.18 2.35 -1.04 -2.70 115.58 117.82 3gxm h ASN 370 Ca 0.20 0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 56.02 3gxm h ASN 370 Cb 0.29 0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.90 3gxm h ASN 370 CO -0.35 -0.33 -0.01 -0.07 -1.65 0.00 0.00 177.43 175.01 3gxm h LEU 371 N -0.46 0.00 -0.20 1.61 3.38 -0.07 0.10 115.31 119.68 3gxm h LEU 371 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3gxm h LEU 371 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3gxm h LEU 371 CO -0.11 0.01 -0.10 0.18 0.09 0.00 0.00 178.44 178.52 3gxm n LEU 372 N -3.92 0.40 -2.52 1.67 4.77 0.33 -3.72 117.00 114.01 3gxm n LEU 372 Ca -0.03 0.04 -0.19 0.00 -0.03 0.00 0.00 56.01 55.81 3gxm n LEU 372 Cb 0.10 -0.19 0.02 0.00 -2.33 0.00 0.00 43.42 41.01 3gxm n LEU 372 CO 0.28 0.08 0.07 -1.22 -1.33 0.00 0.00 177.39 175.27 3gxm n TYR 373 N -1.00 2.43 -0.93 -1.77 4.02 0.34 -4.99 117.16 115.26 3gxm n TYR 373 Ca 0.15 -2.85 0.00 0.00 -0.01 0.00 0.00 57.90 55.19 3gxm n TYR 373 Cb 0.27 -0.22 0.00 0.00 -0.02 0.00 0.00 39.34 39.37 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 -0.37 0.00 -2.81 -0.72 8.25 -1.20 -4.75 115.22 113.62 3gxm n HIS 374 Ca 0.27 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.32 3gxm n HIS 374 Cb 0.76 -0.57 -0.04 0.00 1.12 0.00 0.00 29.99 31.25 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 -2.29 4.65 -1.67 1.59 1.01 -1.10 -4.45 120.40 118.14 3gxm s VAL 375 Ca 0.00 1.92 0.23 0.00 0.00 0.00 0.00 61.98 64.13 3gxm s VAL 375 Cb 0.00 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 3gxm s VAL 375 CO 0.00 0.30 1.10 1.33 0.00 0.00 0.00 175.10 177.84 3gxm n VAL 376 N 3.01 0.00 -3.53 2.92 0.24 -0.33 -4.48 118.33 116.17 3gxm n VAL 376 Ca 0.01 -0.16 -0.11 0.00 -2.04 0.00 0.00 64.34 62.05 3gxm n VAL 376 Cb 0.50 1.05 -0.02 0.00 -1.47 0.00 0.00 33.84 33.89 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 -2.65 -0.49 -0.22 7.63 0.00 -1.26 0.15 107.32 110.48 3gxm s GLY 377 Ca 0.16 0.29 -0.05 0.00 0.00 0.00 0.00 44.72 45.12 3gxm s GLY 377 CO 0.66 0.10 0.41 0.86 0.00 0.00 0.00 173.10 175.13 3gxm s TRP 378 N -3.79 -0.84 -0.12 1.90 -0.00 -0.91 -2.30 118.94 112.88 3gxm s TRP 378 Ca 0.03 1.28 0.01 0.00 -0.00 0.00 0.00 56.10 57.43 3gxm s TRP 378 Cb -0.02 0.21 -0.01 0.00 -0.00 0.00 0.00 33.47 33.65 3gxm s TRP 378 CO -0.08 -0.59 -0.14 0.99 -0.00 0.00 0.00 176.95 177.13 3gxm s THR 379 N 2.60 2.97 0.67 5.86 2.01 0.20 -3.09 115.64 126.85 3gxm s THR 379 Ca 0.05 -0.70 -0.10 0.00 0.31 0.00 0.00 61.69 61.25 3gxm s THR 379 Cb -0.13 -2.23 0.01 0.00 0.01 0.00 0.00 72.50 70.16 3gxm s THR 379 CO -0.14 0.53 1.04 -0.62 -0.69 0.00 0.00 174.62 174.74 3gxm s ASP 380 N 0.24 5.53 0.00 3.53 2.15 -0.18 -2.25 116.67 125.69 3gxm s ASP 380 Ca -0.09 1.04 0.00 0.00 0.43 0.00 0.00 52.55 53.92 3gxm s ASP 380 Cb -0.16 -1.90 0.00 0.00 -0.30 0.00 0.00 42.92 40.56 3gxm s ASP 380 CO 0.05 -1.24 0.00 1.87 -0.17 0.00 0.00 175.17 175.69 3gxm n TRP 381 N -2.88 0.00 -1.62 -5.34 -0.00 -0.86 -2.86 117.44 103.88 3gxm n TRP 381 Ca 0.06 0.00 -0.62 0.00 -0.00 0.00 0.00 57.50 56.94 3gxm n TRP 381 Cb 0.57 0.00 -0.09 0.00 -0.00 0.00 0.00 31.31 31.79 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 0.75 -0.28 5.87 3.02 -1.26 -0.95 115.26 122.42 3gxm n ASN 382 Ca 0.00 1.17 -0.01 0.00 -0.03 0.00 0.00 54.58 55.71 3gxm n ASN 382 Cb 0.00 -0.93 0.12 0.00 -0.61 0.00 0.00 39.78 38.35 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 4.20 0.74 -7.79 3.41 3.38 -1.76 -3.41 115.31 114.07 3gxm h LEU 383 Ca -0.48 0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.36 3gxm h LEU 383 Cb 1.39 -0.14 -0.20 0.00 0.09 0.00 0.00 40.66 41.80 3gxm h LEU 383 CO 0.82 0.49 -0.52 0.00 0.09 0.00 0.00 178.44 179.31 3gxm s ALA 384 N -6.08 -0.25 0.20 1.53 0.00 -1.26 -3.68 121.76 112.22 3gxm s ALA 384 Ca -0.13 -0.22 -0.04 0.00 0.00 0.00 0.00 51.96 51.57 3gxm s ALA 384 Cb 0.17 0.13 -0.03 0.00 0.00 0.00 0.00 23.12 23.39 3gxm s ALA 384 CO 0.78 -0.21 0.20 -0.51 0.00 0.00 0.00 175.76 176.02 3gxm s LEU 385 N -1.44 1.01 0.74 0.00 1.43 -0.82 -3.51 118.68 116.09 3gxm s LEU 385 Ca -0.14 -1.26 -0.05 0.00 -1.03 0.00 0.00 54.13 51.65 3gxm s LEU 385 Cb -0.08 0.70 0.11 0.00 0.03 0.00 0.00 46.19 46.95 3gxm s LEU 385 CO 0.01 -0.90 1.03 0.54 0.23 0.00 0.00 176.35 177.26 3gxm s ASN 386 N -3.11 4.38 0.63 2.29 2.20 -0.19 -0.08 114.94 121.06 3gxm s ASN 386 Ca 0.34 0.04 0.38 0.00 -0.94 0.00 0.00 52.86 52.68 3gxm s ASN 386 Cb 0.05 -0.50 2.17 0.00 -2.00 0.00 0.00 41.25 40.97 3gxm s ASN 386 CO 0.10 -1.85 2.32 -0.65 -2.94 0.00 0.00 177.10 174.08 3gxm h PRO 387 N -0.68 0.00 0.00 3.55 0.11 -1.90 0.74 132.00 133.82 3gxm h PRO 387 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3gxm h PRO 387 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3gxm h PRO 387 CO 0.47 0.00 -0.05 1.49 -0.21 0.00 0.00 178.00 179.70 3gxm h GLU 388 N 0.00 0.00 0.00 1.05 4.81 -1.94 -3.42 114.58 115.08 3gxm h GLU 388 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3gxm h GLU 388 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 3gxm h GLU 388 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.69 3gxm n GLY 389 N 1.21 1.23 0.00 1.92 0.00 0.25 -4.62 105.19 105.19 3gxm n GLY 389 Ca 0.05 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.43 5.40 3.76 -0.02 0.00 -1.26 -3.33 105.19 108.32 3gxm n GLY 390 Ca 0.00 -1.23 -0.33 0.00 0.00 0.00 0.00 46.02 44.47 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 2.00 2.59 -0.17 1.61 0.04 -1.26 -1.02 135.00 138.79 3gxm s PRO 391 Ca 0.00 1.37 -0.06 0.00 0.04 0.00 0.00 61.00 62.35 3gxm s PRO 391 Cb 0.00 -1.92 0.08 0.00 0.04 0.00 0.00 34.50 32.69 3gxm s PRO 391 CO 0.00 -1.41 0.36 1.21 0.04 0.00 0.00 177.00 177.20 3gxm s ASN 392 N -2.72 -0.03 0.00 6.66 3.84 -1.26 -4.39 114.94 117.04 3gxm s ASN 392 Ca 0.66 0.84 0.14 0.00 0.21 0.00 0.00 52.86 54.70 3gxm s ASN 392 Cb -0.20 1.08 0.61 0.00 -0.55 0.00 0.00 41.25 42.18 3gxm s ASN 392 CO 0.45 -0.23 1.41 -2.67 -2.79 0.00 0.00 177.10 173.27 3gxm n TRP 393 N 5.34 0.00 -0.11 0.43 4.27 -0.98 -1.26 117.44 125.13 3gxm n TRP 393 Ca -0.08 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.53 3gxm n TRP 393 Cb 0.50 -0.45 0.00 0.00 -1.36 0.00 0.00 31.31 30.00 3gxm n TRP 393 CO 0.00 0.00 0.00 1.55 -2.29 0.00 0.00 177.69 176.95 3gxm n VAL 394 N -1.45 0.87 -2.16 -1.67 3.14 -1.26 -4.99 118.33 110.82 3gxm n VAL 394 Ca 0.04 -0.88 -0.19 0.00 -2.96 0.00 0.00 64.34 60.35 3gxm n VAL 394 Cb 0.15 0.57 -0.03 0.00 -1.06 0.00 0.00 33.84 33.46 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 -0.44 -1.70 -1.94 1.45 1.74 -0.39 -4.89 116.66 110.49 3gxm n ARG 395 Ca 0.00 0.97 -0.40 0.00 -0.77 0.00 0.00 57.85 57.65 3gxm n ARG 395 Cb 0.27 -5.53 -0.01 0.00 -1.02 0.00 0.00 32.46 26.17 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 -1.72 7.53 -4.79 0.55 4.05 -1.26 -4.99 115.26 114.63 3gxm n ASN 396 Ca -0.21 -3.04 -0.35 0.00 0.45 0.00 0.00 54.58 51.42 3gxm n ASN 396 Cb 0.65 -1.42 -0.03 0.00 1.23 0.00 0.00 39.78 40.22 3gxm n ASN 396 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 177.26 173.85 3gxm s PHE 397 N -0.27 3.00 0.23 1.20 0.08 -1.26 -5.01 117.98 115.95 3gxm s PHE 397 Ca 0.54 1.58 -0.02 0.00 0.12 0.00 0.00 56.93 59.16 3gxm s PHE 397 Cb 0.17 -3.13 -0.03 0.00 -0.57 0.00 0.00 43.02 39.45 3gxm s PHE 397 CO -0.07 -0.94 0.20 0.14 -0.10 0.00 0.00 175.22 174.46 3gxm s VAL 398 N -1.84 0.00 0.71 -0.44 -7.23 -1.21 -4.77 120.40 105.62 3gxm s VAL 398 Ca 0.66 -1.91 -0.10 0.00 -1.81 0.00 0.00 61.98 58.82 3gxm s VAL 398 Cb -0.20 -2.47 0.04 0.00 0.56 0.00 0.00 36.38 34.32 3gxm s VAL 398 CO 0.24 0.00 1.07 -0.62 -0.31 0.00 0.00 175.10 175.47 3gxm s ASP 399 N -3.17 5.07 -0.01 4.85 -1.08 -0.86 -4.48 116.67 117.00 3gxm s ASP 399 Ca 0.37 0.81 -0.12 0.00 -0.52 0.00 0.00 52.55 53.08 3gxm s ASP 399 Cb 0.05 -1.52 0.02 0.00 -1.46 0.00 0.00 42.92 40.00 3gxm s ASP 399 CO 0.14 -1.51 0.25 -0.55 0.52 0.00 0.00 175.17 174.02 3gxm s SER 400 N -4.45 -0.11 0.49 -0.34 0.15 -1.26 -4.70 113.70 103.47 3gxm s SER 400 Ca 0.59 -0.03 0.24 0.00 0.70 0.00 0.00 55.95 57.45 3gxm s SER 400 Cb -0.11 0.28 1.26 0.00 -1.71 0.00 0.00 66.02 65.74 3gxm s SER 400 CO 0.48 -0.43 2.01 -0.65 1.20 0.00 0.00 173.24 175.85 3gxm h PRO 401 N 3.96 0.00 -5.48 5.44 0.11 -1.80 -3.41 132.00 130.82 3gxm h PRO 401 Ca -0.30 0.00 -0.65 0.00 0.11 0.00 0.00 66.00 65.16 3gxm h PRO 401 Cb 1.18 0.00 -0.32 0.00 0.11 0.00 0.00 31.00 31.97 3gxm h PRO 401 CO 0.41 0.17 -0.87 0.42 -0.21 0.00 0.00 178.00 177.91 3gxm s ILE 402 N -4.20 1.87 -0.14 4.15 1.01 -1.24 -1.25 121.20 121.39 3gxm s ILE 402 Ca -0.03 -0.93 0.00 0.00 0.00 0.00 0.00 60.65 59.69 3gxm s ILE 402 Cb 0.13 -1.61 -0.01 0.00 0.01 0.00 0.00 42.46 40.99 3gxm s ILE 402 CO 0.62 0.52 -0.15 -0.63 0.00 0.00 0.00 174.94 175.30 3gxm s ILE 403 N 0.16 2.79 -0.17 2.92 -1.09 -0.64 -1.94 121.20 123.22 3gxm s ILE 403 Ca -0.11 -0.74 -0.11 0.00 -2.23 0.00 0.00 60.65 57.46 3gxm s ILE 403 Cb -0.15 -2.16 -0.05 0.00 -1.58 0.00 0.00 42.46 38.51 3gxm s ILE 403 CO 0.06 0.52 0.18 -0.69 -1.23 0.00 0.00 174.94 173.78 3gxm s VAL 404 N 0.55 5.39 -0.40 2.92 1.01 0.89 -0.55 120.40 130.21 3gxm s VAL 404 Ca -0.09 0.30 -0.05 0.00 0.00 0.00 0.00 61.98 62.14 3gxm s VAL 404 Cb -0.16 -3.51 0.09 0.00 0.00 0.00 0.00 36.38 32.80 3gxm s VAL 404 CO 0.04 0.45 0.19 -0.62 0.00 0.00 0.00 175.10 175.16 3gxm s ASP 405 N 0.17 5.33 0.13 3.32 -1.08 0.12 -3.71 116.67 120.95 3gxm s ASP 405 Ca 0.11 -1.74 -0.09 0.00 -0.52 0.00 0.00 52.55 50.32 3gxm s ASP 405 Cb -0.12 -1.87 -0.07 0.00 -1.46 0.00 0.00 42.92 39.41 3gxm s ASP 405 CO 0.01 -0.50 1.37 0.40 0.52 0.00 0.00 175.17 176.96 3gxm h ILE 406 N 6.28 1.31 0.00 4.11 2.04 -1.94 -1.79 117.51 127.53 3gxm h ILE 406 Ca -0.18 -1.98 -0.03 0.00 1.00 0.00 0.00 64.86 63.67 3gxm h ILE 406 Cb 1.06 1.96 -0.00 0.00 -0.74 0.00 0.00 36.82 39.10 3gxm h ILE 406 CO 0.70 0.62 -0.15 0.71 0.00 0.00 0.00 178.15 180.03 3gxm h THR 407 N 0.47 0.46 -0.00 -0.27 1.35 -1.94 -2.22 112.91 110.76 3gxm h THR 407 Ca -0.04 -0.77 0.00 0.00 -0.55 0.00 0.00 66.41 65.06 3gxm h THR 407 Cb 1.33 1.54 0.00 0.00 -1.73 0.00 0.00 68.15 69.29 3gxm h THR 407 CO 0.14 0.14 -0.67 0.29 -0.25 0.00 0.00 175.52 175.18 3gxm n LYS 408 N -3.43 0.30 -3.54 4.72 5.02 -1.02 -4.97 118.16 115.24 3gxm n LYS 408 Ca -0.01 -0.22 -0.26 0.00 -2.02 0.00 0.00 58.31 55.80 3gxm n LYS 408 Cb 0.32 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.85 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 -1.16 -4.65 -4.24 4.39 2.03 -0.73 -4.99 116.55 107.20 3gxm n ASP 409 Ca 0.06 -0.54 -0.22 0.00 0.52 0.00 0.00 54.79 54.61 3gxm n ASP 409 Cb 0.36 -3.77 -0.12 0.00 -0.72 0.00 0.00 41.12 36.86 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 -3.14 1.48 0.04 5.18 -4.23 -0.84 -3.98 115.64 110.16 3gxm s THR 410 Ca 0.50 -1.41 0.07 0.00 -1.18 0.00 0.00 61.69 59.67 3gxm s THR 410 Cb -0.25 -1.36 -0.02 0.00 1.34 0.00 0.00 72.50 72.20 3gxm s THR 410 CO 0.62 -0.09 -0.19 0.72 -0.54 0.00 0.00 174.62 175.14 3gxm s PHE 411 N -1.15 1.65 -0.12 3.99 -0.12 0.16 0.12 117.98 122.51 3gxm s PHE 411 Ca 0.04 -0.37 -0.03 0.00 -0.05 0.00 0.00 56.93 56.52 3gxm s PHE 411 Cb -0.10 -0.98 -0.03 0.00 -0.63 0.00 0.00 43.02 41.28 3gxm s PHE 411 CO 0.03 0.08 -0.02 0.71 -0.05 0.00 0.00 175.22 175.97 3gxm s TYR 412 N -0.81 3.07 -0.36 3.49 1.51 0.29 -0.42 117.35 124.12 3gxm s TYR 412 Ca 0.06 -0.08 -0.11 0.00 -1.01 0.00 0.00 57.07 55.93 3gxm s TYR 412 Cb -0.08 -1.88 0.01 0.00 -0.11 0.00 0.00 41.96 39.90 3gxm s TYR 412 CO 0.02 0.18 0.21 0.15 -1.11 0.00 0.00 175.55 174.99 3gxm s LYS 413 N -0.17 3.08 0.75 -0.62 1.02 0.94 -1.62 119.74 123.11 3gxm s LYS 413 Ca 0.04 -0.91 -0.11 0.00 0.02 0.00 0.00 55.97 55.00 3gxm s LYS 413 Cb -0.13 -3.72 0.04 0.00 -0.52 0.00 0.00 37.83 33.50 3gxm s LYS 413 CO 0.02 -0.59 1.10 -0.65 -0.92 0.00 0.00 175.35 174.31 3gxm s GLN 414 N 1.61 2.49 0.53 1.68 -0.21 -0.38 -1.69 119.66 123.68 3gxm s GLN 414 Ca 0.04 0.53 0.32 0.00 0.02 0.00 0.00 55.36 56.26 3gxm s GLN 414 Cb -0.18 -1.97 1.47 0.00 1.00 0.00 0.00 33.01 33.32 3gxm s GLN 414 CO 0.07 -1.31 1.86 -1.35 -2.12 0.00 0.00 175.29 172.44 3gxm h PRO 415 N -0.86 0.04 -0.88 2.91 0.11 -1.80 -1.47 132.00 130.04 3gxm h PRO 415 Ca -0.46 -0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.73 3gxm h PRO 415 Cb 1.26 -0.01 -0.07 0.00 0.11 0.00 0.00 31.00 32.30 3gxm h PRO 415 CO 0.62 0.02 0.54 0.52 -0.21 0.00 0.00 178.00 179.49 3gxm h MET 416 N 0.04 0.92 -0.11 1.05 2.86 -1.85 -1.12 114.93 116.71 3gxm h MET 416 Ca 0.48 -0.06 0.05 0.00 -2.06 0.00 0.00 59.70 58.11 3gxm h MET 416 Cb 1.84 -0.21 -0.06 0.00 0.06 0.00 0.00 31.60 33.24 3gxm h MET 416 CO -0.03 0.61 -0.28 0.35 1.06 0.00 0.00 176.91 178.62 3gxm h PHE 417 N 0.94 -0.75 -0.36 -0.22 3.57 -1.44 -1.82 116.94 116.85 3gxm h PHE 417 Ca 0.40 0.03 -0.15 0.00 3.53 0.00 0.00 57.97 61.78 3gxm h PHE 417 Cb 0.27 0.35 -0.01 0.00 2.79 0.00 0.00 35.95 39.35 3gxm h PHE 417 CO -0.03 -0.36 -0.38 1.88 -2.23 0.00 0.00 178.31 177.19 3gxm h TYR 418 N -0.36 1.03 -0.60 0.41 -1.99 -1.58 -0.99 116.97 112.89 3gxm h TYR 418 Ca 0.09 -0.30 -0.00 0.00 2.00 0.00 0.00 58.73 60.52 3gxm h TYR 418 Cb 0.50 -0.22 -0.03 0.00 2.00 0.00 0.00 36.73 38.98 3gxm h TYR 418 CO -0.36 1.10 0.37 0.45 -0.00 0.00 0.00 178.16 179.71 3gxm h HIS 419 N 0.71 0.77 -0.32 4.88 3.86 -1.19 -0.84 115.15 123.02 3gxm h HIS 419 Ca 0.06 0.01 -0.10 0.00 -1.16 0.00 0.00 60.37 59.17 3gxm h HIS 419 Cb 0.95 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 29.16 3gxm h HIS 419 CO 0.06 0.51 -0.21 -0.07 0.86 0.00 0.00 177.93 179.08 3gxm h LEU 420 N 0.82 0.73 -1.70 2.43 3.38 -1.22 -3.32 115.31 116.43 3gxm h LEU 420 Ca 0.22 -0.43 0.02 0.00 0.09 0.00 0.00 57.88 57.78 3gxm h LEU 420 Cb -0.04 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 3gxm h LEU 420 CO -0.04 1.01 0.24 1.23 0.09 0.00 0.00 178.44 180.96 3gxm h GLY 421 N 0.46 0.44 1.84 0.83 0.00 -0.16 -1.41 103.07 105.08 3gxm h GLY 421 Ca 0.06 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.24 3gxm h GLY 421 CO 0.06 0.14 0.05 1.42 0.00 0.00 0.00 176.54 178.21 3gxm n HIS 422 N -4.49 0.24 -0.00 5.60 8.25 -0.42 -1.52 115.22 122.88 3gxm n HIS 422 Ca 0.03 0.12 -0.02 0.00 -0.26 0.00 0.00 57.72 57.60 3gxm n HIS 422 Cb 0.13 -0.66 -0.01 0.00 1.12 0.00 0.00 29.99 30.58 3gxm n HIS 422 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3gxm n PHE 423 N -1.72 0.00 -0.25 4.41 3.01 -0.59 -4.61 117.46 117.71 3gxm n PHE 423 Ca -0.00 0.00 0.15 0.00 1.01 0.00 0.00 57.45 58.60 3gxm n PHE 423 Cb 0.06 -0.09 0.44 0.00 -0.01 0.00 0.00 39.48 39.88 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 -0.17 0.54 -0.22 4.37 4.64 -1.41 -0.25 113.55 121.04 3gxm h SER 424 Ca 0.00 0.04 -0.10 0.00 -0.47 0.00 0.00 61.79 61.26 3gxm h SER 424 Cb 0.17 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.18 3gxm h SER 424 CO 0.00 0.25 -0.20 0.50 -0.87 0.00 0.00 176.83 176.51 3gxm h LYS 425 N 0.56 0.67 -0.17 4.77 3.64 -0.57 -3.36 116.57 122.10 3gxm h LYS 425 Ca 0.45 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 3gxm h LYS 425 Cb 0.88 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.66 3gxm h LYS 425 CO -0.19 0.82 0.00 1.19 -2.27 0.00 0.00 179.45 179.00 3gxm n PHE 426 N -4.13 0.23 -3.64 1.91 3.01 -0.22 -4.78 117.46 109.83 3gxm n PHE 426 Ca 0.00 -0.30 -0.29 0.00 1.01 0.00 0.00 57.45 57.87 3gxm n PHE 426 Cb 0.40 -0.02 -0.13 0.00 -0.01 0.00 0.00 39.48 39.72 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 -0.90 0.92 0.80 4.37 1.01 -0.53 -4.94 121.20 121.93 3gxm s ILE 427 Ca 0.16 -2.05 -0.12 0.00 0.00 0.00 0.00 60.65 58.64 3gxm s ILE 427 Cb 0.09 -1.66 0.07 0.00 0.01 0.00 0.00 42.46 40.97 3gxm s ILE 427 CO 0.12 -0.87 1.13 -2.16 0.00 0.00 0.00 174.94 173.16 3gxm s PRO 428 N 0.84 2.05 0.20 2.79 0.04 -1.26 -4.79 135.00 134.88 3gxm s PRO 428 Ca 0.16 0.39 -0.32 0.00 0.04 0.00 0.00 61.00 61.27 3gxm s PRO 428 Cb -0.22 -1.94 -0.15 0.00 0.04 0.00 0.00 34.50 32.23 3gxm s PRO 428 CO -0.05 -1.59 1.18 -1.91 0.04 0.00 0.00 177.00 174.67 3gxm n GLU 429 N -3.37 1.36 0.00 4.56 2.13 -1.26 -1.84 120.64 122.22 3gxm n GLU 429 Ca 0.07 0.48 0.00 0.00 0.66 0.00 0.00 57.16 58.37 3gxm n GLU 429 Cb 0.58 -1.99 0.00 0.00 0.27 0.00 0.00 31.44 30.30 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 1.91 2.75 3.61 8.31 0.00 -0.19 -4.77 105.19 116.81 3gxm n GLY 430 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 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 1.05 -4.20 1.61 7.64 -0.77 -4.46 113.62 114.49 3gxm n SER 431 Ca 0.00 0.92 -0.32 0.00 1.01 0.00 0.00 58.87 60.48 3gxm n SER 431 Cb 0.00 -1.38 -0.17 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 -2.37 3.05 0.34 1.43 0.74 -0.14 0.65 119.66 123.36 3gxm s GLN 432 Ca 0.69 -0.86 -0.28 0.00 0.05 0.00 0.00 55.36 54.96 3gxm s GLN 432 Cb -0.48 -2.39 -0.10 0.00 1.10 0.00 0.00 33.01 31.14 3gxm s GLN 432 CO 0.52 0.07 1.26 0.50 -0.55 0.00 0.00 175.29 177.09 3gxm s ARG 433 N 0.61 4.32 0.35 1.67 3.52 -0.41 0.05 118.95 129.05 3gxm s ARG 433 Ca -0.12 2.10 0.03 0.00 -0.13 0.00 0.00 55.73 57.62 3gxm s ARG 433 Cb -0.17 -3.00 -0.04 0.00 -1.56 0.00 0.00 34.95 30.18 3gxm s ARG 433 CO 0.03 -0.18 0.13 0.14 -0.81 0.00 0.00 175.30 174.61 3gxm s VAL 434 N -1.19 0.57 0.58 7.11 -7.23 -0.68 0.01 120.40 119.57 3gxm s VAL 434 Ca 0.50 -2.00 -0.16 0.00 -1.81 0.00 0.00 61.98 58.51 3gxm s VAL 434 Cb -0.37 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.02 3gxm s VAL 434 CO 0.49 0.00 1.05 -0.83 -0.31 0.00 0.00 175.10 175.50 3gxm s GLY 435 N -3.48 2.15 -0.27 2.32 0.00 -0.57 -4.42 107.32 103.05 3gxm s GLY 435 Ca 0.32 0.39 -0.02 0.00 0.00 0.00 0.00 44.72 45.41 3gxm s GLY 435 CO 0.16 0.70 0.47 -2.27 0.00 0.00 0.00 173.10 172.17 3gxm s LEU 436 N -4.38 -0.97 -0.19 0.66 2.96 -1.25 -1.18 118.68 114.33 3gxm s LEU 436 Ca 0.63 0.47 -0.06 0.00 -0.22 0.00 0.00 54.13 54.96 3gxm s LEU 436 Cb -0.15 1.56 -0.03 0.00 0.50 0.00 0.00 46.19 48.07 3gxm s LEU 436 CO 0.35 -0.29 0.02 -0.69 -1.32 0.00 0.00 176.35 174.42 3gxm s VAL 437 N 2.68 4.21 -0.03 1.68 1.01 0.26 -4.82 120.40 125.39 3gxm s VAL 437 Ca 0.16 -0.23 -0.22 0.00 0.00 0.00 0.00 61.98 61.69 3gxm s VAL 437 Cb -0.15 -2.90 -0.05 0.00 0.00 0.00 0.00 36.38 33.29 3gxm s VAL 437 CO -0.19 0.44 0.63 0.00 0.00 0.00 0.00 175.10 175.98 3gxm s ALA 438 N 0.77 3.43 0.08 5.51 0.00 -1.26 0.94 121.76 131.22 3gxm s ALA 438 Ca 0.01 0.06 0.26 0.00 0.00 0.00 0.00 51.96 52.30 3gxm s ALA 438 Cb -0.14 -2.82 0.98 0.00 0.00 0.00 0.00 23.12 21.14 3gxm s ALA 438 CO 0.02 0.06 1.85 0.66 0.00 0.00 0.00 175.76 178.35 3gxm h SER 439 N 6.06 0.00 -5.12 0.00 4.64 -1.43 -3.46 113.55 114.24 3gxm h SER 439 Ca -0.43 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.87 3gxm h SER 439 Cb 1.20 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.20 3gxm h SER 439 CO 0.72 0.16 0.02 0.00 -0.87 0.00 0.00 176.83 176.85 3gxm s GLN 440 N -3.61 1.52 0.46 4.77 -2.07 -1.26 -4.96 119.66 114.51 3gxm s GLN 440 Ca 0.01 -1.02 -0.24 0.00 -1.82 0.00 0.00 55.36 52.29 3gxm s GLN 440 Cb 0.09 0.52 -0.08 0.00 -1.09 0.00 0.00 33.01 32.46 3gxm s GLN 440 CO 0.62 -0.65 1.36 1.17 -1.32 0.00 0.00 175.29 176.46 3gxm n LYS 441 N -0.38 2.01 -3.59 9.60 4.81 -1.26 -4.97 118.16 124.38 3gxm n LYS 441 Ca -0.06 0.72 -0.09 0.00 -0.87 0.00 0.00 58.31 58.01 3gxm n LYS 441 Cb 0.62 -2.53 -0.02 0.00 0.02 0.00 0.00 35.03 33.11 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 -0.59 -0.42 0.00 3.14 2.20 -1.26 -5.05 114.94 112.95 3gxm s ASN 442 Ca 0.63 -0.22 0.23 0.00 -0.94 0.00 0.00 52.86 52.57 3gxm s ASN 442 Cb -0.46 0.61 0.61 0.00 -2.00 0.00 0.00 41.25 40.01 3gxm s ASN 442 CO 0.56 -1.04 1.52 0.47 -2.94 0.00 0.00 177.10 175.66 3gxm n ASP 443 N -0.40 3.85 -4.87 3.54 8.00 -1.26 -4.97 116.55 120.44 3gxm n ASP 443 Ca -0.11 -2.00 -0.32 0.00 0.71 0.00 0.00 54.79 53.07 3gxm n ASP 443 Cb 0.63 -0.45 -0.05 0.00 -0.02 0.00 0.00 41.12 41.23 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 -1.10 4.11 -0.14 0.64 1.43 -1.26 -4.58 118.68 117.78 3gxm s LEU 444 Ca 0.47 0.99 -0.04 0.00 -1.03 0.00 0.00 54.13 54.52 3gxm s LEU 444 Cb 0.25 -3.77 -0.03 0.00 0.03 0.00 0.00 46.19 42.66 3gxm s LEU 444 CO 0.33 -0.13 0.02 -1.81 0.23 0.00 0.00 176.35 174.99 3gxm s ASP 445 N -2.48 5.34 0.04 2.29 1.01 -0.98 -4.99 116.67 116.90 3gxm s ASP 445 Ca 0.49 0.08 -0.17 0.00 0.71 0.00 0.00 52.55 53.66 3gxm s ASP 445 Cb -0.11 -1.75 0.03 0.00 1.01 0.00 0.00 42.92 42.10 3gxm s ASP 445 CO 0.22 0.26 0.39 0.00 0.21 0.00 0.00 175.17 176.25 3gxm s ALA 446 N -0.18 -0.94 -0.28 5.23 0.00 -1.26 -0.52 121.76 123.81 3gxm s ALA 446 Ca 0.06 0.27 -0.20 0.00 0.00 0.00 0.00 51.96 52.08 3gxm s ALA 446 Cb -0.12 0.31 0.09 0.00 0.00 0.00 0.00 23.12 23.39 3gxm s ALA 446 CO 0.02 -0.43 0.76 0.54 0.00 0.00 0.00 175.76 176.65 3gxm s VAL 447 N -2.36 0.00 -0.02 0.00 0.11 -0.87 -4.99 120.40 112.27 3gxm s VAL 447 Ca -0.06 0.00 0.07 0.00 -2.93 0.00 0.00 61.98 59.06 3gxm s VAL 447 Cb -0.01 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.82 3gxm s VAL 447 CO -0.02 0.00 -0.24 0.00 -3.33 0.00 0.00 175.10 171.52 3gxm s ALA 448 N 0.99 2.27 0.09 1.54 0.00 -1.26 -1.87 121.76 123.51 3gxm s ALA 448 Ca -0.05 -1.10 -0.01 0.00 0.00 0.00 0.00 51.96 50.80 3gxm s ALA 448 Cb -0.05 -0.63 -0.04 0.00 0.00 0.00 0.00 23.12 22.40 3gxm s ALA 448 CO -0.10 0.54 0.02 -0.51 0.00 0.00 0.00 175.76 175.70 3gxm s LEU 449 N -0.68 2.13 -0.08 0.00 1.02 -0.46 -1.68 118.68 118.93 3gxm s LEU 449 Ca 0.10 -1.08 0.05 0.00 0.02 0.00 0.00 54.13 53.22 3gxm s LEU 449 Cb -0.10 0.27 -0.01 0.00 0.02 0.00 0.00 46.19 46.37 3gxm s LEU 449 CO -0.00 -0.66 -0.23 -0.04 0.02 0.00 0.00 176.35 175.43 3gxm s MET 450 N -3.98 2.85 0.71 1.70 -1.94 0.11 -1.46 119.30 117.30 3gxm s MET 450 Ca 0.15 -0.87 -0.13 0.00 -1.71 0.00 0.00 55.69 53.12 3gxm s MET 450 Cb 0.08 -2.27 0.03 0.00 2.01 0.00 0.00 34.83 34.68 3gxm s MET 450 CO -0.05 0.28 1.11 -1.01 -0.01 0.00 0.00 175.02 175.34 3gxm s HIS 451 N 0.10 2.53 0.65 -0.03 3.76 0.29 -0.96 115.29 121.64 3gxm s HIS 451 Ca -0.11 1.56 0.24 0.00 -0.15 0.00 0.00 55.06 56.60 3gxm s HIS 451 Cb -0.16 -3.15 1.25 0.00 1.11 0.00 0.00 32.58 31.63 3gxm s HIS 451 CO 0.06 -1.82 1.70 -1.35 -0.85 0.00 0.00 174.74 172.49 3gxm h PRO 452 N -0.45 0.00 -0.01 8.40 0.11 -1.86 -0.34 132.00 137.84 3gxm h PRO 452 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3gxm h PRO 452 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3gxm h PRO 452 CO 0.52 0.00 -0.25 -0.40 -0.21 0.00 0.00 178.00 177.67 3gxm n ASP 453 N -2.96 1.48 0.00 -2.05 5.75 -1.26 -4.96 116.55 112.56 3gxm n ASP 453 Ca 0.01 -1.22 0.00 0.00 -0.01 0.00 0.00 54.79 53.57 3gxm n ASP 453 Cb 0.60 0.18 0.00 0.00 -1.03 0.00 0.00 41.12 40.88 3gxm n ASP 453 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3gxm n GLY 454 N 1.33 0.58 3.82 6.12 0.00 -0.14 -5.07 105.19 111.83 3gxm n GLY 454 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.00 6.08 0.33 1.61 1.04 -1.26 -4.58 113.70 114.92 3gxm s SER 455 Ca 0.00 1.72 -0.01 0.00 0.48 0.00 0.00 55.95 58.14 3gxm s SER 455 Cb 0.00 -2.52 -0.04 0.00 0.10 0.00 0.00 66.02 63.56 3gxm s SER 455 CO 0.00 -0.96 0.55 0.00 0.98 0.00 0.00 173.24 173.81 3gxm s ALA 456 N -2.55 3.67 -0.07 5.32 0.00 -0.45 -0.55 121.76 127.14 3gxm s ALA 456 Ca 0.62 -0.81 -0.03 0.00 0.00 0.00 0.00 51.96 51.73 3gxm s ALA 456 Cb -0.14 -2.17 0.04 0.00 0.00 0.00 0.00 23.12 20.85 3gxm s ALA 456 CO 0.36 0.04 0.16 0.54 0.00 0.00 0.00 175.76 176.86 3gxm s VAL 457 N -2.27 -0.08 -0.08 0.00 0.11 -0.53 -3.21 120.40 114.34 3gxm s VAL 457 Ca 0.41 0.20 0.02 0.00 -2.93 0.00 0.00 61.98 59.68 3gxm s VAL 457 Cb -0.10 -0.27 0.01 0.00 -1.53 0.00 0.00 36.38 34.49 3gxm s VAL 457 CO 0.35 0.08 -0.13 -0.69 -3.33 0.00 0.00 175.10 171.38 3gxm s VAL 458 N 1.35 1.23 -0.14 2.04 1.01 -0.22 -1.35 120.40 124.32 3gxm s VAL 458 Ca -0.08 -0.52 -0.05 0.00 0.00 0.00 0.00 61.98 61.33 3gxm s VAL 458 Cb -0.12 -1.13 -0.04 0.00 0.00 0.00 0.00 36.38 35.10 3gxm s VAL 458 CO -0.06 0.38 0.04 -0.69 0.00 0.00 0.00 175.10 174.77 3gxm s VAL 459 N 0.78 4.63 -0.08 2.92 1.01 -0.78 -0.16 120.40 128.73 3gxm s VAL 459 Ca -0.12 -0.10 0.01 0.00 0.00 0.00 0.00 61.98 61.77 3gxm s VAL 459 Cb -0.16 -3.03 0.02 0.00 0.00 0.00 0.00 36.38 33.21 3gxm s VAL 459 CO 0.02 0.53 -0.11 -0.69 0.00 0.00 0.00 175.10 174.85 3gxm s VAL 460 N -0.16 1.12 -0.11 2.92 1.01 0.11 -2.06 120.40 123.23 3gxm s VAL 460 Ca 0.06 -0.43 0.02 0.00 0.00 0.00 0.00 61.98 61.63 3gxm s VAL 460 Cb -0.12 -1.05 -0.01 0.00 0.00 0.00 0.00 36.38 35.19 3gxm s VAL 460 CO 0.02 0.36 -0.16 -0.22 0.00 0.00 0.00 175.10 175.10 3gxm s LEU 461 N 0.97 2.58 -0.32 3.92 2.96 0.32 -1.06 118.68 128.05 3gxm s LEU 461 Ca -0.09 -0.35 -0.00 0.00 -0.22 0.00 0.00 54.13 53.47 3gxm s LEU 461 Cb -0.15 -1.55 0.07 0.00 0.50 0.00 0.00 46.19 45.06 3gxm s LEU 461 CO 0.00 0.20 0.02 0.21 -1.32 0.00 0.00 176.35 175.46 3gxm s ASN 462 N 0.12 4.85 0.00 3.68 3.84 -0.34 -2.33 114.94 124.76 3gxm s ASN 462 Ca -0.08 -1.54 0.24 0.00 0.21 0.00 0.00 52.86 51.70 3gxm s ASN 462 Cb -0.15 -1.69 0.20 0.00 -0.55 0.00 0.00 41.25 39.06 3gxm s ASN 462 CO 0.05 -0.31 1.26 0.54 -2.79 0.00 0.00 177.10 175.85 3gxm n ARG 463 N 4.53 2.19 -3.02 0.43 1.74 -1.26 -1.32 116.66 119.95 3gxm n ARG 463 Ca -0.09 -1.80 -0.23 0.00 -0.77 0.00 0.00 57.85 54.96 3gxm n ARG 463 Cb 0.43 -1.46 0.01 0.00 -1.02 0.00 0.00 32.46 30.41 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 -2.05 5.85 0.23 0.55 1.04 -1.26 -4.77 113.70 113.29 3gxm s SER 464 Ca 0.27 0.26 0.26 0.00 0.48 0.00 0.00 55.95 57.23 3gxm s SER 464 Cb 0.20 -1.53 0.77 0.00 0.10 0.00 0.00 66.02 65.56 3gxm s SER 464 CO 0.33 -0.68 1.76 0.77 0.98 0.00 0.00 173.24 176.40 3gxm h SER 465 N 0.43 0.00 -3.21 7.02 4.64 -1.91 -0.22 113.55 120.30 3gxm h SER 465 Ca -0.46 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.27 3gxm h SER 465 Cb 1.25 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.28 3gxm h SER 465 CO 0.57 0.00 -0.14 -0.54 -0.87 0.00 0.00 176.83 175.85 3gxm s LYS 466 N -3.11 4.19 0.26 4.77 1.02 -1.26 -4.29 119.74 121.32 3gxm s LYS 466 Ca 0.10 0.48 -0.30 0.00 0.02 0.00 0.00 55.97 56.28 3gxm s LYS 466 Cb 0.12 -3.34 -0.11 0.00 -0.52 0.00 0.00 37.83 33.99 3gxm s LYS 466 CO 0.60 0.40 1.50 -0.51 -0.92 0.00 0.00 175.35 176.43 3gxm s ASP 467 N -0.19 6.54 -0.25 2.83 1.11 -1.26 -3.61 116.67 121.84 3gxm s ASP 467 Ca 0.26 2.78 0.02 0.00 0.18 0.00 0.00 52.55 55.78 3gxm s ASP 467 Cb -0.16 -2.63 0.05 0.00 1.07 0.00 0.00 42.92 41.25 3gxm s ASP 467 CO 0.13 -0.79 -0.11 -0.69 1.18 0.00 0.00 175.17 174.89 3gxm s VAL 468 N 0.02 2.32 0.51 -1.27 1.01 0.70 -4.91 120.40 118.78 3gxm s VAL 468 Ca 0.61 -1.41 -0.22 0.00 0.00 0.00 0.00 61.98 60.97 3gxm s VAL 468 Cb -0.44 -2.27 -0.06 0.00 0.00 0.00 0.00 36.38 33.61 3gxm s VAL 468 CO 0.45 0.10 1.21 -2.84 0.00 0.00 0.00 175.10 174.01 3gxm s PRO 469 N 1.18 3.44 -0.08 2.72 0.02 -1.26 0.71 135.00 141.73 3gxm s PRO 469 Ca -0.05 1.86 -0.30 0.00 0.02 0.00 0.00 61.00 62.54 3gxm s PRO 469 Cb -0.18 -2.24 0.11 0.00 0.02 0.00 0.00 34.50 32.21 3gxm s PRO 469 CO -0.06 -0.84 0.93 -0.48 -0.33 0.00 0.00 177.00 176.22 3gxm s LEU 470 N -3.41 -0.38 -0.00 -5.54 0.05 0.09 -4.28 118.68 105.21 3gxm s LEU 470 Ca 0.69 0.21 0.07 0.00 0.05 0.00 0.00 54.13 55.15 3gxm s LEU 470 Cb -0.31 1.97 -0.02 0.00 -2.05 0.00 0.00 46.19 45.79 3gxm s LEU 470 CO 0.36 -0.50 -0.22 -0.89 -0.55 0.00 0.00 176.35 174.56 3gxm s THR 471 N -2.16 1.75 -0.19 5.48 2.01 -0.57 -1.36 115.64 120.60 3gxm s THR 471 Ca 0.01 -1.01 -0.05 0.00 0.31 0.00 0.00 61.69 60.95 3gxm s THR 471 Cb -0.01 -1.47 -0.03 0.00 0.01 0.00 0.00 72.50 71.01 3gxm s THR 471 CO -0.03 0.44 0.00 -0.63 -0.69 0.00 0.00 174.62 173.71 3gxm s ILE 472 N -0.58 4.11 -0.27 1.82 1.01 -0.35 -0.44 121.20 126.50 3gxm s ILE 472 Ca 0.09 -0.27 -0.09 0.00 0.00 0.00 0.00 60.65 60.38 3gxm s ILE 472 Cb -0.09 -2.84 -0.04 0.00 0.01 0.00 0.00 42.46 39.50 3gxm s ILE 472 CO -0.00 0.45 0.13 -0.75 0.00 0.00 0.00 174.94 174.77 3gxm s LYS 473 N 0.74 3.77 -0.19 2.79 2.20 0.17 -1.76 119.74 127.46 3gxm s LYS 473 Ca 0.00 -0.42 0.01 0.00 -0.36 0.00 0.00 55.97 55.20 3gxm s LYS 473 Cb -0.14 -3.51 0.02 0.00 -1.51 0.00 0.00 37.83 32.69 3gxm s LYS 473 CO 0.02 -0.20 -0.19 0.34 -0.36 0.00 0.00 175.35 174.96 3gxm s ASP 474 N 1.69 3.27 0.44 1.43 -1.08 -0.76 0.48 116.67 122.12 3gxm s ASP 474 Ca 0.07 -0.69 0.11 0.00 -0.52 0.00 0.00 52.55 51.51 3gxm s ASP 474 Cb -0.16 -1.50 0.98 0.00 -1.46 0.00 0.00 42.92 40.79 3gxm s ASP 474 CO 0.07 -0.01 2.05 -0.65 0.52 0.00 0.00 175.17 177.15 3gxm h PRO 475 N 7.94 0.41 -0.43 4.34 0.11 -1.83 0.14 132.00 142.67 3gxm h PRO 475 Ca -0.44 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.67 3gxm h PRO 475 Cb 1.13 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 3gxm h PRO 475 CO 0.63 0.27 0.29 0.00 -0.21 0.00 0.00 178.00 178.97 3gxm h ALA 476 N 1.77 1.80 0.00 -0.75 0.00 -1.95 -3.39 119.26 116.74 3gxm h ALA 476 Ca 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3gxm h ALA 476 Cb 0.13 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3gxm h ALA 476 CO -0.04 0.16 -0.24 1.33 0.00 0.00 0.00 179.25 180.45 3gxm n VAL 477 N -4.48 0.00 0.00 0.00 0.24 -0.96 -4.98 118.33 108.16 3gxm n VAL 477 Ca 0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.34 3gxm n VAL 477 Cb 0.13 -0.18 0.00 0.00 -1.47 0.00 0.00 33.84 32.33 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 1.02 0.25 3.31 7.63 0.00 0.44 -4.80 105.19 113.04 3gxm n GLY 478 Ca 0.00 -1.71 -0.29 0.00 0.00 0.00 0.00 46.02 44.02 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 -1.50 2.17 -0.21 1.61 0.40 -0.11 -1.84 117.98 118.51 3gxm s PHE 479 Ca 0.00 -0.40 -0.02 0.00 -0.60 0.00 0.00 56.93 55.90 3gxm s PHE 479 Cb 0.00 -1.32 -0.00 0.00 0.51 0.00 0.00 43.02 42.21 3gxm s PHE 479 CO 0.00 0.08 -0.09 -0.51 0.70 0.00 0.00 175.22 175.40 3gxm s LEU 480 N -1.06 2.66 -0.19 -0.37 1.43 -0.72 -1.00 118.68 119.42 3gxm s LEU 480 Ca 0.10 -0.47 -0.08 0.00 -1.03 0.00 0.00 54.13 52.65 3gxm s LEU 480 Cb -0.10 -1.66 -0.04 0.00 0.03 0.00 0.00 46.19 44.42 3gxm s LEU 480 CO 0.01 -0.01 0.09 -0.70 0.23 0.00 0.00 176.35 175.97 3gxm s GLU 481 N 1.40 4.04 0.25 1.70 2.56 -1.26 -1.21 118.70 126.17 3gxm s GLU 481 Ca 0.05 -0.30 -0.22 0.00 0.00 0.00 0.00 54.97 54.50 3gxm s GLU 481 Cb -0.14 -3.30 0.03 0.00 2.00 0.00 0.00 34.13 32.72 3gxm s GLU 481 CO -0.06 0.25 0.75 -0.08 -0.56 0.00 0.00 175.26 175.56 3gxm s THR 482 N 0.45 0.00 -0.03 -1.70 -1.32 -0.47 -5.02 115.64 107.55 3gxm s THR 482 Ca 0.05 -0.85 0.07 0.00 -1.21 0.00 0.00 61.69 59.76 3gxm s THR 482 Cb -0.12 -1.89 -0.02 0.00 -1.51 0.00 0.00 72.50 68.96 3gxm s THR 482 CO -0.00 0.00 -0.25 -0.63 -2.21 0.00 0.00 174.62 171.53 3gxm s ILE 483 N -3.80 2.15 -0.52 5.08 1.01 -1.26 -0.73 121.20 123.12 3gxm s ILE 483 Ca 0.10 -1.07 -0.16 0.00 0.00 0.00 0.00 60.65 59.52 3gxm s ILE 483 Cb -0.05 -1.75 0.10 0.00 0.01 0.00 0.00 42.46 40.77 3gxm s ILE 483 CO 0.04 0.58 0.50 -0.55 0.00 0.00 0.00 174.94 175.51 3gxm s SER 484 N -0.59 6.18 0.77 3.58 0.15 0.22 -4.96 113.70 119.04 3gxm s SER 484 Ca 0.09 -1.49 -0.11 0.00 0.70 0.00 0.00 55.95 55.15 3gxm s SER 484 Cb -0.10 -2.22 0.05 0.00 -1.71 0.00 0.00 66.02 62.04 3gxm s SER 484 CO -0.01 -0.81 1.09 -2.84 1.20 0.00 0.00 173.24 171.87 3gxm s PRO 485 N 1.85 2.31 0.44 5.44 0.02 -1.26 -0.21 135.00 143.58 3gxm s PRO 485 Ca 0.06 1.13 -0.25 0.00 0.02 0.00 0.00 61.00 61.95 3gxm s PRO 485 Cb -0.26 -1.91 -0.08 0.00 0.02 0.00 0.00 34.50 32.27 3gxm s PRO 485 CO 0.06 -1.60 1.29 0.20 -0.33 0.00 0.00 177.00 176.62 3gxm s GLY 486 N -3.45 2.89 -0.98 0.52 0.00 -1.24 -3.22 107.32 101.84 3gxm s GLY 486 Ca 0.61 1.20 -0.11 0.00 0.00 0.00 0.00 44.72 46.42 3gxm s GLY 486 CO 0.56 1.75 0.76 -1.72 0.00 0.00 0.00 173.10 174.46 3gxm n TYR 487 N -0.16 -2.27 -3.91 1.90 0.53 -0.09 -4.84 117.16 108.31 3gxm n TYR 487 Ca 0.05 0.73 -0.09 0.00 -1.02 0.00 0.00 57.90 57.58 3gxm n TYR 487 Cb 0.44 -3.60 -0.07 0.00 -1.03 0.00 0.00 39.34 35.08 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 -3.27 0.10 -0.01 7.72 1.04 -1.05 -2.41 113.70 115.81 3gxm s SER 488 Ca 0.29 -0.76 0.01 0.00 0.48 0.00 0.00 55.95 55.97 3gxm s SER 488 Cb -0.09 0.37 0.01 0.00 0.10 0.00 0.00 66.02 66.42 3gxm s SER 488 CO 0.82 -0.79 -0.03 -0.51 0.98 0.00 0.00 173.24 173.71 3gxm s ILE 489 N -3.91 0.28 -0.01 -1.02 2.07 0.74 -1.20 121.20 118.15 3gxm s ILE 489 Ca 0.11 -0.08 0.05 0.00 -1.41 0.00 0.00 60.65 59.31 3gxm s ILE 489 Cb 0.04 -0.29 -0.01 0.00 0.13 0.00 0.00 42.46 42.33 3gxm s ILE 489 CO -0.06 0.12 -0.15 -1.00 -1.91 0.00 0.00 174.94 171.93 3gxm s HIS 490 N 0.35 1.37 -0.10 3.50 3.76 -0.22 -1.06 115.29 122.89 3gxm s HIS 490 Ca -0.03 -0.27 -0.01 0.00 -0.15 0.00 0.00 55.06 54.59 3gxm s HIS 490 Cb -0.07 -0.88 -0.03 0.00 1.11 0.00 0.00 32.58 32.72 3gxm s HIS 490 CO -0.01 -0.02 -0.03 0.99 -0.85 0.00 0.00 174.74 174.82 3gxm s THR 491 N -0.40 4.00 -0.07 1.30 2.01 -0.85 0.06 115.64 121.69 3gxm s THR 491 Ca 0.06 -0.36 0.05 0.00 0.31 0.00 0.00 61.69 61.76 3gxm s THR 491 Cb -0.06 -2.68 -0.01 0.00 0.01 0.00 0.00 72.50 69.76 3gxm s THR 491 CO -0.00 0.58 -0.24 -0.31 -0.69 0.00 0.00 174.62 173.95 3gxm s TYR 492 N -0.55 2.40 -0.05 4.92 1.51 0.78 -0.82 117.35 125.53 3gxm s TYR 492 Ca 0.09 -0.78 0.00 0.00 -1.01 0.00 0.00 57.07 55.37 3gxm s TYR 492 Cb -0.12 -1.58 0.02 0.00 -0.11 0.00 0.00 41.96 40.17 3gxm s TYR 492 CO 0.02 -0.26 -0.03 -0.51 -1.11 0.00 0.00 175.55 173.66 3gxm s LEU 493 N -0.03 1.12 0.03 -1.29 1.43 0.28 -1.05 118.68 119.16 3gxm s LEU 493 Ca -0.07 -0.11 -0.07 0.00 -1.03 0.00 0.00 54.13 52.85 3gxm s LEU 493 Cb -0.15 -0.43 -0.00 0.00 0.03 0.00 0.00 46.19 45.64 3gxm s LEU 493 CO 0.05 -0.10 0.13 -1.66 0.23 0.00 0.00 176.35 175.00 3gxm s TRP 494 N 1.21 0.13 0.40 0.29 -2.14 -1.20 -0.51 118.94 117.13 3gxm s TRP 494 Ca -0.06 -0.36 -0.22 0.00 2.66 0.00 0.00 56.10 58.12 3gxm s TRP 494 Cb -0.14 -0.09 -0.11 0.00 -3.10 0.00 0.00 33.47 30.03 3gxm s TRP 494 CO -0.02 -0.35 0.93 -1.01 -2.66 0.00 0.00 176.95 173.84 3gxm s HIS 495 N -2.24 3.40 -1.67 1.66 3.76 -1.26 -1.34 115.29 117.59 3gxm s HIS 495 Ca -0.08 1.62 0.14 0.00 -0.15 0.00 0.00 55.06 56.59 3gxm s HIS 495 Cb -0.03 -2.84 0.17 0.00 1.11 0.00 0.00 32.58 30.98 3gxm s HIS 495 CO -0.03 -0.02 1.03 0.54 -0.85 0.00 0.00 174.74 175.41 3gxm n ARG 496 N -0.35 1.35 0.00 1.40 1.74 -1.26 -4.73 116.66 114.81 3gxm n ARG 496 Ca 0.06 -1.52 0.00 0.00 -0.77 0.00 0.00 57.85 55.61 3gxm n ARG 496 Cb 0.53 -1.29 0.00 0.00 -1.02 0.00 0.00 32.46 30.68 3gxm n ARG 496 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11