#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gxd s ARG 2 N 0.00 4.47 0.96 0.00 3.00 -1.26 -4.94 118.95 121.18 3gxd s ARG 2 Ca 0.00 1.01 -0.15 0.00 0.00 0.00 0.00 55.73 56.58 3gxd s ARG 2 Cb 0.00 -3.37 0.18 0.00 0.00 0.00 0.00 34.95 31.77 3gxd s ARG 2 CO 0.00 0.28 1.24 -1.25 0.00 0.00 0.00 175.30 175.57 3gxd s PRO 3 N -0.02 0.70 -0.11 3.54 0.04 -1.26 -1.36 135.00 136.53 3gxd s PRO 3 Ca 0.37 -0.17 -0.29 0.00 0.04 0.00 0.00 61.00 60.95 3gxd s PRO 3 Cb -0.20 -1.83 -0.01 0.00 0.04 0.00 0.00 34.50 32.50 3gxd s PRO 3 CO 0.22 -2.41 1.00 0.00 0.04 0.00 0.00 177.00 175.85 3gxd s ILE 5 N 2.01 4.22 0.01 0.00 1.01 -1.26 -5.02 121.20 122.17 3gxd s ILE 5 Ca 0.48 0.15 -0.30 0.00 0.00 0.00 0.00 60.65 60.98 3gxd s ILE 5 Cb -0.18 -4.67 -0.03 0.00 0.01 0.00 0.00 42.46 37.59 3gxd s ILE 5 CO 0.18 -1.38 1.01 -2.16 0.00 0.00 0.00 174.94 172.59 3gxd s PRO 6 N 4.39 4.55 -0.02 2.79 0.04 -1.26 -0.10 135.00 145.39 3gxd s PRO 6 Ca 0.30 1.46 0.07 0.00 0.04 0.00 0.00 61.00 62.87 3gxd s PRO 6 Cb -0.13 -3.44 -0.02 0.00 0.04 0.00 0.00 34.50 30.95 3gxd s PRO 6 CO 0.16 -0.07 -0.23 0.21 0.04 0.00 0.00 177.00 177.11 3gxd s LYS 7 N 0.99 2.18 0.14 4.56 2.20 -0.52 -4.90 119.74 124.39 3gxd s LYS 7 Ca 0.53 -0.89 -0.00 0.00 -0.36 0.00 0.00 55.97 55.25 3gxd s LYS 7 Cb -0.22 -2.12 -0.04 0.00 -1.51 0.00 0.00 37.83 33.94 3gxd s LYS 7 CO 0.28 0.57 0.31 0.45 -0.36 0.00 0.00 175.35 176.60 3gxd s SER 8 N -0.70 6.38 -0.08 1.43 0.15 -1.26 -0.23 113.70 119.38 3gxd s SER 8 Ca 0.11 0.32 0.20 0.00 0.70 0.00 0.00 55.95 57.28 3gxd s SER 8 Cb -0.10 -1.98 0.43 0.00 -1.71 0.00 0.00 66.02 62.66 3gxd s SER 8 CO -0.00 0.06 1.19 0.49 1.20 0.00 0.00 173.24 176.17 3gxd n PHE 9 N -0.27 0.03 -1.00 3.44 3.01 -1.26 -4.97 117.46 116.44 3gxd n PHE 9 Ca -0.05 -0.91 -0.00 0.00 1.01 0.00 0.00 57.45 57.50 3gxd n PHE 9 Cb 0.53 -0.19 -0.00 0.00 -0.01 0.00 0.00 39.48 39.81 3gxd n PHE 9 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3gxd n GLY 10 N -0.14 0.45 3.14 1.37 0.00 -1.26 -4.92 105.19 103.83 3gxd n GLY 10 Ca 0.11 -0.43 -0.17 0.00 0.00 0.00 0.00 46.02 45.54 3gxd n GLY 10 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3gxd n TYR 11 N -3.00 -2.12 0.22 1.61 4.02 -1.26 -5.03 117.16 111.59 3gxd n TYR 11 Ca -0.00 -1.74 0.08 0.00 -0.01 0.00 0.00 57.90 56.23 3gxd n TYR 11 Cb 0.00 -0.43 0.47 0.00 -0.02 0.00 0.00 39.34 39.37 3gxd n TYR 11 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 3gxd h SER 12 N 0.16 0.00 -1.09 7.72 4.64 -1.91 -3.44 113.55 119.63 3gxd h SER 12 Ca -0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 3gxd h SER 12 Cb 1.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 3gxd h SER 12 CO 0.34 0.27 0.00 -0.24 -0.87 0.00 0.00 176.83 176.32 3gxd n SER 13 N -3.58 0.00 -4.60 4.97 2.88 0.08 -4.82 113.62 108.55 3gxd n SER 13 Ca -0.01 -0.55 -0.26 0.00 -1.33 0.00 0.00 58.87 56.73 3gxd n SER 13 Cb 0.41 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.77 3gxd n SER 13 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 3gxd s VAL 14 N -1.56 2.35 0.26 2.46 -7.23 -1.21 -4.45 120.40 111.01 3gxd s VAL 14 Ca 0.00 -2.06 0.07 0.00 -1.81 0.00 0.00 61.98 58.18 3gxd s VAL 14 Cb 0.00 -2.77 -0.03 0.00 0.56 0.00 0.00 36.38 34.13 3gxd s VAL 14 CO 0.00 -0.16 0.22 0.68 -0.31 0.00 0.00 175.10 175.53 3gxd s VAL 15 N -2.59 4.36 -0.28 1.32 -7.23 0.68 -4.42 120.40 112.24 3gxd s VAL 15 Ca 0.34 -1.38 -0.13 0.00 -1.81 0.00 0.00 61.98 59.00 3gxd s VAL 15 Cb 0.03 -3.39 -0.04 0.00 0.56 0.00 0.00 36.38 33.53 3gxd s VAL 15 CO 0.18 -0.33 0.30 0.00 -0.31 0.00 0.00 175.10 174.94 3gxd s VAL 17 N 1.94 4.73 0.15 0.00 1.01 0.86 -1.13 120.40 127.96 3gxd s VAL 17 Ca 0.11 1.81 0.10 0.00 0.00 0.00 0.00 61.98 64.01 3gxd s VAL 17 Cb -0.16 -4.24 -0.04 0.00 0.00 0.00 0.00 36.38 31.94 3gxd s VAL 17 CO 0.10 -0.16 -0.20 0.00 0.00 0.00 0.00 175.10 174.84 3gxd n ASN 19 N 0.53 0.00 0.12 0.00 0.23 -0.66 -0.73 115.26 114.75 3gxd n ASN 19 Ca -0.14 0.00 0.13 0.00 -0.53 0.00 0.00 54.58 54.04 3gxd n ASN 19 Cb 0.54 0.00 0.40 0.00 -2.08 0.00 0.00 39.78 38.65 3gxd n ASN 19 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3gxd h ALA 20 N 1.20 1.00 0.00 -2.53 0.00 -1.92 -3.35 119.26 113.67 3gxd h ALA 20 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3gxd h ALA 20 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3gxd h ALA 20 CO 0.00 0.00 -0.72 0.25 0.00 0.00 0.00 179.25 178.78 3gxd n THR 21 N -2.35 0.00 -5.00 0.00 -2.24 -1.26 -4.23 114.28 99.20 3gxd n THR 21 Ca 0.05 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.51 3gxd n THR 21 Cb 0.41 -0.47 -0.14 0.00 -2.10 0.00 0.00 70.33 68.02 3gxd n THR 21 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3gxd s TYR 22 N -1.65 2.62 -0.22 4.78 5.04 -1.26 -5.13 117.35 121.53 3gxd s TYR 22 Ca 0.00 -0.41 -0.16 0.00 -2.44 0.00 0.00 57.07 54.05 3gxd s TYR 22 Cb 0.00 -1.65 0.06 0.00 0.35 0.00 0.00 41.96 40.72 3gxd s TYR 22 CO 0.00 -0.01 0.56 0.00 -1.34 0.00 0.00 175.55 174.76 3gxd s ASP 24 N 0.84 6.47 0.29 0.00 -4.77 -1.26 -4.74 116.67 113.50 3gxd s ASP 24 Ca -0.04 2.78 -0.17 0.00 -3.30 0.00 0.00 52.55 51.82 3gxd s ASP 24 Cb -0.05 -2.65 0.02 0.00 -1.09 0.00 0.00 42.92 39.15 3gxd s ASP 24 CO -0.07 -0.75 0.65 -0.94 0.70 0.00 0.00 175.17 174.76 3gxd s SER 25 N -0.48 -0.10 0.23 2.11 1.04 -0.47 -4.98 113.70 111.05 3gxd s SER 25 Ca 0.53 -0.84 0.07 0.00 0.48 0.00 0.00 55.95 56.18 3gxd s SER 25 Cb -0.41 0.71 -0.04 0.00 0.10 0.00 0.00 66.02 66.38 3gxd s SER 25 CO 0.54 -1.35 0.15 -0.36 0.98 0.00 0.00 173.24 173.21 3gxd s PHE 26 N -3.61 3.07 0.69 5.02 0.40 0.33 -3.65 117.98 120.22 3gxd s PHE 26 Ca 0.16 -0.10 -0.11 0.00 -0.60 0.00 0.00 56.93 56.28 3gxd s PHE 26 Cb -0.04 -1.41 0.01 0.00 0.51 0.00 0.00 43.02 42.09 3gxd s PHE 26 CO 0.09 0.53 1.06 -0.51 0.70 0.00 0.00 175.22 177.09 3gxd s ASP 27 N -3.60 5.45 0.03 1.36 1.01 -1.26 -4.49 116.67 115.18 3gxd s ASP 27 Ca 0.32 1.52 -0.37 0.00 0.71 0.00 0.00 52.55 54.73 3gxd s ASP 27 Cb -0.08 -2.41 -0.16 0.00 1.01 0.00 0.00 42.92 41.27 3gxd s ASP 27 CO 0.24 -1.38 1.42 -2.65 0.21 0.00 0.00 175.17 173.01 3gxd n PRO 28 N -3.08 1.23 -1.57 8.23 -0.02 -1.26 -4.80 135.00 133.72 3gxd n PRO 28 Ca 0.07 0.44 -0.30 0.00 -2.02 0.00 0.00 63.50 61.69 3gxd n PRO 28 Cb 0.54 -2.10 0.08 0.00 -0.02 0.00 0.00 33.50 31.99 3gxd n PRO 28 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3gxd s PRO 29 N 1.03 2.39 -0.11 0.52 0.05 -1.26 -5.04 135.00 132.57 3gxd s PRO 29 Ca 0.86 0.73 -0.06 0.00 0.05 0.00 0.00 61.00 62.59 3gxd s PRO 29 Cb -0.95 -1.95 0.05 0.00 0.05 0.00 0.00 34.50 31.70 3gxd s PRO 29 CO 0.49 -1.43 0.26 0.99 0.05 0.00 0.00 177.00 177.36 3gxd s THR 30 N -3.13 -0.04 -0.22 1.26 2.01 -1.26 -5.14 115.64 109.12 3gxd s THR 30 Ca 0.60 0.14 -0.06 0.00 0.31 0.00 0.00 61.69 62.67 3gxd s THR 30 Cb -0.14 -0.40 -0.03 0.00 0.01 0.00 0.00 72.50 71.94 3gxd s THR 30 CO 0.54 0.06 0.04 0.72 -0.69 0.00 0.00 174.62 175.29 3gxd s PHE 31 N 1.25 3.08 0.69 4.92 -0.12 -1.26 -4.99 117.98 121.55 3gxd s PHE 31 Ca -0.09 -0.39 -0.13 0.00 -0.05 0.00 0.00 56.93 56.26 3gxd s PHE 31 Cb -0.10 -2.15 0.01 0.00 -0.63 0.00 0.00 43.02 40.16 3gxd s PHE 31 CO -0.09 -0.25 1.09 -1.25 -0.05 0.00 0.00 175.22 174.67 3gxd s PRO 32 N 1.20 2.71 0.56 1.99 0.04 -1.26 -5.03 135.00 135.20 3gxd s PRO 32 Ca 0.04 1.27 -0.15 0.00 0.04 0.00 0.00 61.00 62.20 3gxd s PRO 32 Cb -0.14 -1.95 -0.12 0.00 0.04 0.00 0.00 34.50 32.32 3gxd s PRO 32 CO 0.02 -1.31 -0.30 0.00 0.04 0.00 0.00 177.00 175.45 3gxd n ALA 33 N -2.76 -3.58 -1.57 8.56 0.00 -1.26 -4.49 120.51 115.40 3gxd n ALA 33 Ca 0.10 -0.23 -0.51 0.00 0.00 0.00 0.00 53.44 52.80 3gxd n ALA 33 Cb 0.52 -1.09 -0.05 0.00 0.00 0.00 0.00 19.45 18.84 3gxd n ALA 33 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3gxd n LEU 34 N 2.37 1.36 0.00 0.00 7.94 -1.26 -1.47 117.00 125.94 3gxd n LEU 34 Ca 0.04 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 56.07 3gxd n LEU 34 Cb 0.42 -1.18 0.00 0.00 0.53 0.00 0.00 43.42 43.19 3gxd n LEU 34 CO 0.44 -1.31 0.00 0.61 -1.11 0.00 0.00 177.39 176.02 3gxd n GLY 35 N 2.15 0.66 3.35 -3.96 0.00 -1.26 -5.03 105.19 101.10 3gxd n GLY 35 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 3gxd n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gxd s THR 36 N -2.18 2.21 0.13 2.61 2.01 -0.54 0.20 115.64 120.07 3gxd s THR 36 Ca 0.00 -1.23 0.10 0.00 0.31 0.00 0.00 61.69 60.87 3gxd s THR 36 Cb 0.00 -1.83 -0.04 0.00 0.01 0.00 0.00 72.50 70.64 3gxd s THR 36 CO 0.00 0.46 -0.24 0.72 -0.69 0.00 0.00 174.62 174.87 3gxd s PHE 37 N -0.74 2.08 -0.02 4.92 -0.12 -0.66 -4.50 117.98 118.94 3gxd s PHE 37 Ca 0.11 -0.40 -0.06 0.00 -0.05 0.00 0.00 56.93 56.53 3gxd s PHE 37 Cb -0.10 -1.11 -0.05 0.00 -0.63 0.00 0.00 43.02 41.13 3gxd s PHE 37 CO 0.01 0.30 0.24 -1.12 -0.05 0.00 0.00 175.22 174.60 3gxd s SER 38 N -2.10 6.47 -0.06 1.98 0.01 -0.14 -1.57 113.70 118.28 3gxd s SER 38 Ca 0.12 0.52 -0.01 0.00 1.31 0.00 0.00 55.95 57.89 3gxd s SER 38 Cb -0.09 -2.08 0.03 0.00 0.21 0.00 0.00 66.02 64.08 3gxd s SER 38 CO 0.06 0.29 -0.01 -0.60 0.41 0.00 0.00 173.24 173.38 3gxd s ARG 39 N -1.63 0.61 -0.16 12.44 3.00 0.42 0.24 118.95 133.86 3gxd s ARG 39 Ca 0.25 0.06 -0.03 0.00 -1.00 0.00 0.00 55.73 55.01 3gxd s ARG 39 Cb -0.13 -0.86 -0.02 0.00 0.00 0.00 0.00 34.95 33.93 3gxd s ARG 39 CO 0.14 -0.23 -0.06 0.71 0.00 0.00 0.00 175.30 175.87 3gxd s TYR 40 N 1.59 2.97 -0.02 5.12 1.51 -0.32 -1.02 117.35 127.17 3gxd s TYR 40 Ca -0.01 -0.48 0.07 0.00 -1.01 0.00 0.00 57.07 55.64 3gxd s TYR 40 Cb -0.13 -1.96 -0.02 0.00 -0.11 0.00 0.00 41.96 39.74 3gxd s TYR 40 CO -0.03 -0.16 -0.23 -2.00 -1.11 0.00 0.00 175.55 172.01 3gxd s GLU 41 N 0.57 1.92 0.01 -0.62 2.12 0.49 -1.50 118.70 121.68 3gxd s GLU 41 Ca -0.04 -0.83 0.00 0.00 0.36 0.00 0.00 54.97 54.46 3gxd s GLU 41 Cb -0.15 -1.84 -0.01 0.00 0.26 0.00 0.00 34.13 32.40 3gxd s GLU 41 CO 0.03 0.49 -0.01 -1.12 -0.54 0.00 0.00 175.26 174.10 3gxd s SER 42 N -0.52 0.15 -0.08 -1.70 0.01 -1.13 0.75 113.70 111.18 3gxd s SER 42 Ca 0.08 -0.14 -0.09 0.00 1.31 0.00 0.00 55.95 57.10 3gxd s SER 42 Cb -0.09 0.02 0.02 0.00 0.21 0.00 0.00 66.02 66.18 3gxd s SER 42 CO -0.01 -0.07 0.25 0.42 0.41 0.00 0.00 173.24 174.24 3gxd s THR 43 N -0.40 0.01 0.17 1.44 -4.23 -0.30 -1.46 115.64 110.89 3gxd s THR 43 Ca -0.04 -0.12 -0.24 0.00 -1.18 0.00 0.00 61.69 60.11 3gxd s THR 43 Cb -0.03 -0.40 0.06 0.00 1.34 0.00 0.00 72.50 73.47 3gxd s THR 43 CO -0.00 -0.07 1.57 -0.09 -0.54 0.00 0.00 174.62 175.49 3gxd h ARG 44 N 5.39 -0.21 0.00 3.99 2.43 -1.75 0.18 114.38 124.40 3gxd h ARG 44 Ca -0.27 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.92 3gxd h ARG 44 Cb 1.19 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 3gxd h ARG 44 CO 0.36 -0.14 0.56 0.66 -1.51 0.00 0.00 179.97 179.90 3gxd h SER 45 N -0.22 0.00 0.00 -3.80 4.64 -1.88 -3.41 113.55 108.88 3gxd h SER 45 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 3gxd h SER 45 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 3gxd h SER 45 CO -0.67 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 175.90 3gxd n GLY 46 N -1.29 0.33 3.76 -0.77 0.00 0.61 -5.01 105.19 102.80 3gxd n GLY 46 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 3gxd n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gxd s ARG 47 N 0.00 4.57 -0.39 1.61 0.52 -1.11 -4.85 118.95 119.29 3gxd s ARG 47 Ca 0.00 1.90 0.01 0.00 -0.52 0.00 0.00 55.73 57.12 3gxd s ARG 47 Cb 0.00 -3.17 0.14 0.00 0.52 0.00 0.00 34.95 32.44 3gxd s ARG 47 CO 0.00 0.11 0.22 1.03 0.02 0.00 0.00 175.30 176.68 3gxd s ARG 48 N -1.44 0.88 -1.30 3.54 1.81 -1.24 -1.14 118.95 120.06 3gxd s ARG 48 Ca 0.46 -1.62 -0.00 0.00 -1.72 0.00 0.00 55.73 52.85 3gxd s ARG 48 Cb -0.34 -1.78 -0.00 0.00 -0.45 0.00 0.00 34.95 32.38 3gxd s ARG 48 CO 0.43 -1.18 0.71 -1.33 -0.68 0.00 0.00 175.30 173.25 3gxd n MET 49 N 3.85 -4.98 -2.60 3.54 2.81 0.23 -4.87 117.12 115.09 3gxd n MET 49 Ca 0.10 0.63 -0.42 0.00 -1.81 0.00 0.00 57.70 56.20 3gxd n MET 49 Cb 0.36 -5.21 -0.03 0.00 -0.71 0.00 0.00 33.22 27.63 3gxd n MET 49 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 3gxd s GLU 50 N -5.94 4.44 0.12 0.03 2.02 0.69 -4.61 118.70 115.44 3gxd s GLU 50 Ca 0.00 1.53 -0.24 0.00 0.02 0.00 0.00 54.97 56.28 3gxd s GLU 50 Cb -0.00 -3.50 -0.07 0.00 0.10 0.00 0.00 34.13 30.66 3gxd s GLU 50 CO 0.81 -0.27 0.74 -1.17 0.02 0.00 0.00 175.26 175.38 3gxd s LEU 51 N 1.67 4.55 0.07 1.80 2.96 -1.26 -0.38 118.68 128.09 3gxd s LEU 51 Ca 0.53 1.53 -0.20 0.00 -0.22 0.00 0.00 54.13 55.77 3gxd s LEU 51 Cb -0.22 -3.21 0.05 0.00 0.50 0.00 0.00 46.19 43.30 3gxd s LEU 51 CO 0.23 0.17 0.48 -0.94 -1.32 0.00 0.00 176.35 174.98 3gxd s SER 52 N -0.88 -0.38 0.24 3.68 1.04 -0.19 -5.00 113.70 112.21 3gxd s SER 52 Ca 0.35 0.04 0.11 0.00 0.48 0.00 0.00 55.95 56.93 3gxd s SER 52 Cb -0.22 0.48 -0.05 0.00 0.10 0.00 0.00 66.02 66.34 3gxd s SER 52 CO 0.24 -0.75 -0.21 -0.04 0.98 0.00 0.00 173.24 173.46 3gxd s MET 53 N -2.80 1.57 0.28 4.02 -1.94 -1.26 -0.44 119.30 118.74 3gxd s MET 53 Ca -0.03 -1.65 -0.08 0.00 -1.71 0.00 0.00 55.69 52.22 3gxd s MET 53 Cb -0.00 -1.73 0.03 0.00 2.01 0.00 0.00 34.83 35.14 3gxd s MET 53 CO -0.05 0.34 0.50 0.41 -0.01 0.00 0.00 175.02 176.22 3gxd n GLY 54 N -0.23 1.63 3.85 -0.03 0.00 -0.61 -5.00 105.19 104.80 3gxd n GLY 54 Ca -0.08 -1.31 -0.36 0.00 0.00 0.00 0.00 46.02 44.27 3gxd n GLY 54 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gxd s PRO 55 N -2.24 3.86 -0.58 1.61 0.05 -1.26 -1.65 135.00 134.80 3gxd s PRO 55 Ca 0.15 0.32 -0.09 0.00 0.05 0.00 0.00 61.00 61.43 3gxd s PRO 55 Cb -0.03 -3.03 0.15 0.00 0.05 0.00 0.00 34.50 31.65 3gxd s PRO 55 CO 0.11 0.56 0.46 0.42 0.05 0.00 0.00 177.00 178.60 3gxd s ILE 56 N -1.35 4.44 0.48 0.56 1.01 0.53 -4.57 121.20 122.30 3gxd s ILE 56 Ca 0.33 -2.14 0.07 0.00 0.00 0.00 0.00 60.65 58.90 3gxd s ILE 56 Cb -0.15 -3.87 0.00 0.00 0.01 0.00 0.00 42.46 38.45 3gxd s ILE 56 CO 0.17 -0.85 0.37 0.00 0.00 0.00 0.00 174.94 174.64 3gxd s GLN 57 N 0.86 2.35 0.03 2.79 1.03 -0.92 -4.58 119.66 121.22 3gxd s GLN 57 Ca 0.10 -1.80 0.16 0.00 0.04 0.00 0.00 55.36 53.85 3gxd s GLN 57 Cb -0.22 -2.20 -0.16 0.00 0.03 0.00 0.00 33.01 30.46 3gxd s GLN 57 CO -0.03 -0.39 0.78 0.00 -2.54 0.00 0.00 175.29 173.11 3gxd n ALA 58 N -1.62 1.81 -2.35 2.60 0.00 -1.26 -0.51 120.51 119.18 3gxd n ALA 58 Ca 0.01 -0.60 -0.26 0.00 0.00 0.00 0.00 53.44 52.59 3gxd n ALA 58 Cb 0.63 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 19.15 3gxd n ALA 58 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3gxd s ASN 59 N -5.87 6.15 -0.27 0.00 0.02 -1.26 -4.75 114.94 108.97 3gxd s ASN 59 Ca -0.03 0.72 -0.01 0.00 -1.02 0.00 0.00 52.86 52.51 3gxd s ASN 59 Cb 0.08 -2.06 0.09 0.00 0.02 0.00 0.00 41.25 39.38 3gxd s ASN 59 CO 0.81 -0.57 0.07 -2.28 0.02 0.00 0.00 177.10 175.15 3gxd s HIS 60 N -2.65 1.58 -0.20 2.20 5.65 -1.26 -4.66 115.29 115.95 3gxd s HIS 60 Ca 0.46 -1.49 0.15 0.00 0.25 0.00 0.00 55.06 54.43 3gxd s HIS 60 Cb -0.10 -1.51 0.51 0.00 -1.18 0.00 0.00 32.58 30.30 3gxd s HIS 60 CO 0.42 -0.80 1.41 0.25 -0.65 0.00 0.00 174.74 175.38 3gxd n THR 61 N 4.89 2.31 -2.64 0.89 -2.24 -1.26 -4.94 114.28 111.30 3gxd n THR 61 Ca -0.05 -2.06 -0.36 0.00 -2.27 0.00 0.00 64.05 59.31 3gxd n THR 61 Cb 0.44 -0.27 -0.05 0.00 -2.10 0.00 0.00 70.33 68.35 3gxd n THR 61 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3gxd s GLY 62 N -2.11 2.69 0.00 3.38 0.00 -1.26 -4.96 107.32 105.07 3gxd s GLY 62 Ca 0.42 0.61 0.00 0.00 0.00 0.00 0.00 44.72 45.75 3gxd s GLY 62 CO 0.07 1.02 0.62 -1.30 0.00 0.00 0.00 173.10 173.51 3gxd n THR 63 N -0.03 0.36 0.00 0.90 -2.24 -1.26 -5.05 114.28 106.96 3gxd n THR 63 Ca 0.05 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 3gxd n THR 63 Cb 0.50 0.94 0.00 0.00 -2.10 0.00 0.00 70.33 69.67 3gxd n THR 63 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gxd n GLY 64 N -0.18 2.17 3.71 3.38 0.00 -1.26 -5.04 105.19 107.98 3gxd n GLY 64 Ca 0.00 -1.07 -0.42 0.00 0.00 0.00 0.00 46.02 44.53 3gxd n GLY 64 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3gxd s LEU 65 N 0.00 4.37 -0.10 0.99 2.96 -1.25 -4.94 118.68 120.71 3gxd s LEU 65 Ca 0.00 2.69 -0.00 0.00 -0.22 0.00 0.00 54.13 56.60 3gxd s LEU 65 Cb 0.00 -3.59 -0.03 0.00 0.50 0.00 0.00 46.19 43.07 3gxd s LEU 65 CO 0.00 -0.89 -0.08 -0.22 -1.32 0.00 0.00 176.35 173.84 3gxd s LEU 66 N 1.47 3.07 -0.14 -0.68 2.96 -1.26 -1.25 118.68 122.85 3gxd s LEU 66 Ca 0.73 -0.13 0.03 0.00 -0.22 0.00 0.00 54.13 54.54 3gxd s LEU 66 Cb -0.45 -1.69 0.01 0.00 0.50 0.00 0.00 46.19 44.56 3gxd s LEU 66 CO 0.32 0.27 -0.22 -0.76 -1.32 0.00 0.00 176.35 174.64 3gxd s LEU 67 N -0.23 2.11 -0.14 -0.68 1.43 -0.23 -0.09 118.68 120.84 3gxd s LEU 67 Ca 0.03 -0.60 0.00 0.00 -1.03 0.00 0.00 54.13 52.53 3gxd s LEU 67 Cb -0.13 -1.45 -0.01 0.00 0.03 0.00 0.00 46.19 44.64 3gxd s LEU 67 CO 0.03 0.08 -0.15 -0.89 0.23 0.00 0.00 176.35 175.65 3gxd s THR 68 N 0.80 2.73 0.27 5.49 2.01 -0.48 -0.29 115.64 126.18 3gxd s THR 68 Ca -0.07 -0.76 -0.29 0.00 0.31 0.00 0.00 61.69 60.88 3gxd s THR 68 Cb -0.16 -2.14 -0.09 0.00 0.01 0.00 0.00 72.50 70.11 3gxd s THR 68 CO -0.02 0.52 1.12 -0.22 -0.69 0.00 0.00 174.62 175.33 3gxd s LEU 69 N 0.65 4.54 -0.48 4.42 2.96 0.75 -1.84 118.68 129.67 3gxd s LEU 69 Ca -0.08 2.29 0.06 0.00 -0.22 0.00 0.00 54.13 56.18 3gxd s LEU 69 Cb -0.16 -3.63 0.20 0.00 0.50 0.00 0.00 46.19 43.11 3gxd s LEU 69 CO 0.02 -0.19 0.47 0.00 -1.32 0.00 0.00 176.35 175.34 3gxd n GLN 70 N 1.27 0.90 0.28 1.98 1.13 -1.01 -4.51 117.38 117.41 3gxd n GLN 70 Ca -0.01 -3.59 0.13 0.00 -1.94 0.00 0.00 57.00 51.59 3gxd n GLN 70 Cb 0.45 -1.72 0.80 0.00 0.11 0.00 0.00 30.24 29.88 3gxd n GLN 70 CO 0.00 0.00 0.00 -1.35 -1.44 0.00 0.00 177.06 174.27 3gxd h PRO 71 N 4.95 0.00 0.00 -1.09 0.11 -1.94 -1.72 132.00 132.30 3gxd h PRO 71 Ca 0.18 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.26 3gxd h PRO 71 Cb 0.84 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.95 3gxd h PRO 71 CO 0.51 0.06 -0.18 0.93 -0.21 0.00 0.00 178.00 179.11 3gxd h GLU 72 N 0.00 0.00 -6.30 1.05 4.39 -1.96 -3.39 114.58 108.37 3gxd h GLU 72 Ca -0.00 0.00 -0.58 0.00 0.34 0.00 0.00 59.36 59.12 3gxd h GLU 72 Cb 0.13 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 28.70 3gxd h GLU 72 CO 0.01 0.18 0.74 -0.65 -1.16 0.00 0.00 179.01 178.12 3gxd s GLN 73 N -3.93 3.84 -0.06 2.33 -0.21 -0.65 -5.03 119.66 115.95 3gxd s GLN 73 Ca -0.01 0.66 0.05 0.00 0.02 0.00 0.00 55.36 56.08 3gxd s GLN 73 Cb 0.12 -3.82 -0.01 0.00 1.00 0.00 0.00 33.01 30.30 3gxd s GLN 73 CO 0.61 -1.07 -0.23 0.15 -2.12 0.00 0.00 175.29 172.63 3gxd s LYS 74 N 3.78 2.52 0.00 2.91 1.02 -1.26 -1.97 119.74 126.74 3gxd s LYS 74 Ca 0.42 -0.85 0.00 0.00 0.02 0.00 0.00 55.97 55.56 3gxd s LYS 74 Cb -0.11 -2.09 0.00 0.00 -0.52 0.00 0.00 37.83 35.12 3gxd s LYS 74 CO 0.22 0.32 0.00 1.19 -0.92 0.00 0.00 175.35 176.15 3gxd n PHE 75 N 3.10 0.00 -2.42 3.18 3.01 0.71 -5.00 117.46 120.05 3gxd n PHE 75 Ca -0.18 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 57.95 3gxd n PHE 75 Cb 0.52 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.96 3gxd n PHE 75 CO 0.00 0.00 0.00 1.14 1.01 0.00 0.00 176.76 178.91 3gxd s GLN 76 N 4.53 3.81 0.23 -1.08 0.00 -1.26 -4.60 119.66 121.29 3gxd s GLN 76 Ca 0.00 1.13 -0.17 0.00 -0.00 0.00 0.00 55.36 56.32 3gxd s GLN 76 Cb 0.00 -2.11 -0.08 0.00 0.00 0.00 0.00 33.01 30.82 3gxd s GLN 76 CO 0.00 -0.40 0.69 0.15 0.00 0.00 0.00 175.29 175.73 3gxd s LYS 77 N -3.73 4.14 -0.20 9.60 3.01 -1.26 -0.55 119.74 130.75 3gxd s LYS 77 Ca 0.62 0.74 -0.17 0.00 -1.01 0.00 0.00 55.97 56.15 3gxd s LYS 77 Cb -0.13 -2.80 -0.03 0.00 -1.01 0.00 0.00 37.83 33.86 3gxd s LYS 77 CO 0.27 0.36 0.47 0.08 0.51 0.00 0.00 175.35 177.04 3gxd s VAL 78 N -1.61 5.14 0.04 3.17 1.01 0.51 -4.67 120.40 124.00 3gxd s VAL 78 Ca 0.44 0.85 -0.17 0.00 0.00 0.00 0.00 61.98 63.10 3gxd s VAL 78 Cb -0.15 -3.79 -0.22 0.00 0.00 0.00 0.00 36.38 32.21 3gxd s VAL 78 CO 0.20 0.20 1.16 0.50 0.00 0.00 0.00 175.10 177.17 3gxd h LYS 79 N 7.45 0.57 0.00 2.72 1.63 0.71 -1.21 116.57 128.45 3gxd h LYS 79 Ca -0.34 -0.59 0.00 0.00 -0.85 0.00 0.00 60.65 58.86 3gxd h LYS 79 Cb 1.16 0.16 0.00 0.00 -0.60 0.00 0.00 32.23 32.95 3gxd h LYS 79 CO 0.73 1.21 0.00 0.41 -3.45 0.00 0.00 179.45 178.35 3gxd n GLY 80 N 1.02 0.93 3.09 5.01 0.00 -1.14 -4.50 105.19 109.61 3gxd n GLY 80 Ca -0.10 -1.92 -0.18 0.00 0.00 0.00 0.00 46.02 43.82 3gxd n GLY 80 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gxd s PHE 81 N -2.58 0.97 0.00 1.61 0.40 -1.26 -1.33 117.98 115.79 3gxd s PHE 81 Ca 0.00 -0.34 0.00 0.00 -0.60 0.00 0.00 56.93 55.99 3gxd s PHE 81 Cb 0.00 -0.58 0.00 0.00 0.51 0.00 0.00 43.02 42.95 3gxd s PHE 81 CO 0.00 -0.00 0.00 0.41 0.70 0.00 0.00 175.22 176.33 3gxd n GLY 82 N 1.99 1.22 3.25 4.36 0.00 -0.58 -0.71 105.19 114.72 3gxd n GLY 82 Ca -0.18 -0.73 -0.12 0.00 0.00 0.00 0.00 46.02 44.99 3gxd n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gxd n GLY 83 N 0.00 1.86 3.78 -0.02 0.00 -1.16 -0.61 105.19 109.04 3gxd n GLY 83 Ca 0.00 -1.50 -0.36 0.00 0.00 0.00 0.00 46.02 44.16 3gxd n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gxd s ALA 84 N -2.51 3.73 -1.26 4.61 0.00 0.39 -1.02 121.76 125.70 3gxd s ALA 84 Ca 0.24 -0.59 -0.05 0.00 0.00 0.00 0.00 51.96 51.56 3gxd s ALA 84 Cb -0.02 -2.17 0.17 0.00 0.00 0.00 0.00 23.12 21.10 3gxd s ALA 84 CO 0.17 0.30 2.21 -0.12 0.00 0.00 0.00 175.76 178.33 3gxd n MET 85 N 2.96 4.68 -0.64 0.00 1.56 -0.17 -0.56 117.12 124.95 3gxd n MET 85 Ca -0.16 -3.73 -0.29 0.00 -0.27 0.00 0.00 57.70 53.25 3gxd n MET 85 Cb 0.53 -2.62 0.23 0.00 2.15 0.00 0.00 33.22 33.50 3gxd n MET 85 CO 0.00 0.00 0.00 0.95 -0.73 0.00 0.00 175.97 176.19 3gxd s THR 86 N -1.69 2.07 0.21 1.12 -4.23 -1.26 -4.56 115.64 107.30 3gxd s THR 86 Ca 0.49 0.02 -0.09 0.00 -1.18 0.00 0.00 61.69 60.94 3gxd s THR 86 Cb 0.17 -2.12 0.15 0.00 1.34 0.00 0.00 72.50 72.04 3gxd s THR 86 CO -0.09 -0.03 1.77 0.44 -0.54 0.00 0.00 174.62 176.18 3gxd h ASP 87 N -2.40 0.40 -0.40 3.99 3.32 -1.93 -2.44 116.42 116.95 3gxd h ASP 87 Ca -0.57 0.06 -0.08 0.00 0.02 0.00 0.00 57.03 56.45 3gxd h ASP 87 Cb 1.32 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.84 3gxd h ASP 87 CO 0.49 0.24 -0.03 0.00 -1.72 0.00 0.00 179.24 178.22 3gxd h ALA 88 N 1.39 1.05 -0.10 3.45 0.00 -1.29 -0.82 119.26 122.94 3gxd h ALA 88 Ca 0.31 -0.28 -0.19 0.00 0.00 0.00 0.00 54.91 54.75 3gxd h ALA 88 Cb 0.31 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3gxd h ALA 88 CO -0.25 0.59 -0.73 0.00 0.00 0.00 0.00 179.25 178.86 3gxd h ALA 89 N 1.21 0.55 -0.55 0.00 0.00 -1.61 -2.34 119.26 116.51 3gxd h ALA 89 Ca 0.14 -0.60 -0.05 0.00 0.00 0.00 0.00 54.91 54.40 3gxd h ALA 89 Cb 0.50 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 3gxd h ALA 89 CO 0.03 0.74 0.14 0.00 0.00 0.00 0.00 179.25 180.16 3gxd h ALA 90 N 0.87 1.21 -0.15 0.00 0.00 -0.85 -0.86 119.26 119.49 3gxd h ALA 90 Ca -0.03 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 3gxd h ALA 90 Cb 1.31 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 3gxd h ALA 90 CO 0.13 0.55 0.07 -0.07 0.00 0.00 0.00 179.25 179.93 3gxd h LEU 91 N 0.81 0.19 -0.76 0.00 3.38 -1.12 0.32 115.31 118.12 3gxd h LEU 91 Ca 0.18 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 3gxd h LEU 91 Cb 0.29 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 3gxd h LEU 91 CO -0.00 0.25 0.28 0.78 0.09 0.00 0.00 178.44 179.84 3gxd h ASN 92 N 0.11 1.07 -0.24 -0.43 2.35 -1.09 -1.05 115.58 116.30 3gxd h ASN 92 Ca 0.05 -0.19 -0.09 0.00 -0.55 0.00 0.00 56.30 55.53 3gxd h ASN 92 Cb 0.11 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 38.20 3gxd h ASN 92 CO -0.01 0.96 -0.19 0.40 -1.65 0.00 0.00 177.43 176.94 3gxd h ILE 93 N 1.11 1.31 0.00 2.81 2.04 -1.05 -2.84 117.51 120.89 3gxd h ILE 93 Ca 0.25 -1.33 0.00 0.00 1.00 0.00 0.00 64.86 64.78 3gxd h ILE 93 Cb 0.25 1.65 0.00 0.00 -0.74 0.00 0.00 36.82 37.98 3gxd h ILE 93 CO -0.02 0.41 0.00 0.18 0.00 0.00 0.00 178.15 178.73 3gxd n LEU 94 N -4.41 0.00 -1.39 1.44 4.77 0.09 -2.36 117.00 115.13 3gxd n LEU 94 Ca -0.04 0.01 0.09 0.00 -0.03 0.00 0.00 56.01 56.03 3gxd n LEU 94 Cb 0.40 -0.01 0.32 0.00 -2.33 0.00 0.00 43.42 41.81 3gxd n LEU 94 CO 0.42 -0.00 0.78 0.00 -1.33 0.00 0.00 177.39 177.26 3gxd n ALA 95 N -1.01 2.94 -2.87 -1.18 0.00 -0.43 -4.87 120.51 113.09 3gxd n ALA 95 Ca 0.12 -1.62 -0.25 0.00 0.00 0.00 0.00 53.44 51.69 3gxd n ALA 95 Cb 0.06 -0.90 -0.04 0.00 0.00 0.00 0.00 19.45 18.57 3gxd n ALA 95 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3gxd s LEU 96 N -1.83 4.07 0.70 0.00 1.43 -0.99 -4.72 118.68 117.33 3gxd s LEU 96 Ca 0.47 0.00 -0.15 0.00 -1.03 0.00 0.00 54.13 53.42 3gxd s LEU 96 Cb 0.30 -2.65 0.02 0.00 0.03 0.00 0.00 46.19 43.90 3gxd s LEU 96 CO 0.22 0.04 1.18 -0.94 0.23 0.00 0.00 176.35 177.08 3gxd s SER 97 N -3.28 4.53 0.24 2.29 1.04 -1.26 -4.66 113.70 112.60 3gxd s SER 97 Ca 0.33 2.24 -0.08 0.00 0.48 0.00 0.00 55.95 58.93 3gxd s SER 97 Cb -0.10 -2.58 0.40 0.00 0.10 0.00 0.00 66.02 63.84 3gxd s SER 97 CO 0.26 -2.03 1.65 -0.65 0.98 0.00 0.00 173.24 173.45 3gxd h PRO 98 N -0.13 0.12 -0.84 4.02 0.11 -1.95 -0.12 132.00 133.21 3gxd h PRO 98 Ca -0.47 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.65 3gxd h PRO 98 Cb 1.28 -0.03 -0.05 0.00 0.11 0.00 0.00 31.00 32.32 3gxd h PRO 98 CO 0.51 0.08 0.55 -1.35 -0.21 0.00 0.00 178.00 177.59 3gxd h PRO 99 N 0.12 1.04 -0.39 1.05 0.11 -1.91 -1.46 132.00 130.58 3gxd h PRO 99 Ca 0.39 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 66.36 3gxd h PRO 99 Cb 0.67 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 31.53 3gxd h PRO 99 CO -0.61 0.69 -0.07 0.00 -0.21 0.00 0.00 178.00 177.79 3gxd h ALA 100 N 1.50 1.15 -0.52 -0.75 0.00 -1.23 -2.72 119.26 116.68 3gxd h ALA 100 Ca 0.33 -0.28 0.10 0.00 0.00 0.00 0.00 54.91 55.06 3gxd h ALA 100 Cb -0.02 -0.16 -0.08 0.00 0.00 0.00 0.00 17.79 17.52 3gxd h ALA 100 CO -0.09 0.54 0.01 1.96 0.00 0.00 0.00 179.25 181.67 3gxd h GLN 101 N 0.61 0.12 0.00 0.00 4.20 -0.22 -1.10 115.11 118.72 3gxd h GLN 101 Ca 0.11 -0.01 -0.10 0.00 0.06 0.00 0.00 58.65 58.72 3gxd h GLN 101 Cb 0.49 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 3gxd h GLN 101 CO 0.03 0.08 -0.48 -0.91 -0.67 0.00 0.00 178.83 176.87 3gxd h ASN 102 N 0.12 0.00 0.22 1.46 2.35 -1.12 0.53 115.58 119.15 3gxd h ASN 102 Ca 0.26 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.89 3gxd h ASN 102 Cb 0.40 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.75 3gxd h ASN 102 CO -0.43 0.48 -0.46 -0.07 -1.65 0.00 0.00 177.43 175.31 3gxd h LEU 103 N 0.00 0.31 0.21 1.61 3.38 -1.26 0.44 115.31 120.00 3gxd h LEU 103 Ca -0.00 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 3gxd h LEU 103 Cb 0.92 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.58 3gxd h LEU 103 CO 0.06 0.72 -0.10 0.25 0.09 0.00 0.00 178.44 179.47 3gxd h LEU 104 N 0.23 -0.24 -0.17 1.67 6.46 0.03 -1.06 115.31 122.23 3gxd h LEU 104 Ca 0.02 -0.19 0.00 0.00 -0.12 0.00 0.00 57.88 57.58 3gxd h LEU 104 Cb 0.90 0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.88 3gxd h LEU 104 CO 0.07 0.07 0.11 -0.07 -0.62 0.00 0.00 178.44 178.00 3gxd h LEU 105 N -0.56 0.20 -1.20 2.25 3.38 -0.83 -1.39 115.31 117.15 3gxd h LEU 105 Ca -0.03 -0.02 0.15 0.00 0.09 0.00 0.00 57.88 58.07 3gxd h LEU 105 Cb 0.42 -0.05 -0.08 0.00 0.09 0.00 0.00 40.66 41.04 3gxd h LEU 105 CO 0.05 0.16 0.60 0.11 0.09 0.00 0.00 178.44 179.44 3gxd h LYS 106 N 0.22 0.72 -0.67 1.13 1.57 -0.16 -0.16 116.57 119.22 3gxd h LYS 106 Ca 0.06 -0.04 0.11 0.00 -1.87 0.00 0.00 60.65 58.91 3gxd h LYS 106 Cb -0.01 -0.16 -0.08 0.00 0.08 0.00 0.00 32.23 32.06 3gxd h LYS 106 CO -0.01 0.48 0.27 0.77 -0.57 0.00 0.00 179.45 180.39 3gxd h SER 107 N 0.74 0.29 0.06 0.86 0.02 -0.02 -2.61 113.55 112.88 3gxd h SER 107 Ca 0.48 0.08 -0.28 0.00 -0.84 0.00 0.00 61.79 61.24 3gxd h SER 107 Cb 0.74 0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.31 3gxd h SER 107 CO -0.24 0.15 -1.49 1.88 -1.14 0.00 0.00 176.83 175.99 3gxd h TYR 108 N 0.46 0.23 0.00 3.45 0.99 -1.32 -1.87 116.97 118.91 3gxd h TYR 108 Ca 0.35 -0.17 -0.27 0.00 2.00 0.00 0.00 58.73 60.64 3gxd h TYR 108 Cb 0.44 -0.01 -0.05 0.00 1.00 0.00 0.00 36.73 38.11 3gxd h TYR 108 CO -0.16 1.59 -2.24 1.19 -0.00 0.00 0.00 178.16 178.54 3gxd n PHE 109 N -4.05 0.05 -1.94 4.88 3.01 -0.13 0.35 117.46 119.64 3gxd n PHE 109 Ca -0.30 0.02 -0.29 0.00 1.01 0.00 0.00 57.45 57.88 3gxd n PHE 109 Cb 0.83 -0.88 0.05 0.00 -0.01 0.00 0.00 39.48 39.48 3gxd n PHE 109 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 3gxd s SER 110 N -5.27 5.25 0.00 4.37 1.04 -0.99 -3.93 113.70 114.18 3gxd s SER 110 Ca -0.09 1.00 0.30 0.00 0.48 0.00 0.00 55.95 57.64 3gxd s SER 110 Cb 0.08 -1.75 1.42 0.00 0.10 0.00 0.00 66.02 65.87 3gxd s SER 110 CO 0.85 -1.44 1.98 1.21 0.98 0.00 0.00 173.24 176.82 3gxd n GLU 111 N -3.03 0.67 0.15 4.02 0.00 -1.26 -1.04 120.64 120.16 3gxd n GLU 111 Ca 0.07 -0.14 0.12 0.00 0.00 0.00 0.00 57.16 57.21 3gxd n GLU 111 Cb 0.58 -1.50 0.24 0.00 0.00 0.00 0.00 31.44 30.76 3gxd n GLU 111 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 3gxd h GLU 112 N 0.35 0.00 0.00 5.31 5.08 -1.85 -3.44 114.58 120.03 3gxd h GLU 112 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3gxd h GLU 112 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 3gxd h GLU 112 CO 0.00 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.42 3gxd n GLY 113 N 1.21 0.82 0.14 -3.84 0.00 -0.20 -0.51 105.19 102.81 3gxd n GLY 113 Ca 0.04 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.07 3gxd n GLY 113 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3gxd n ILE 114 N 0.00 1.01 -3.61 -0.61 -5.35 -0.70 -4.84 119.36 105.25 3gxd n ILE 114 Ca 0.00 -1.02 -0.22 0.00 -0.27 0.00 0.00 62.75 61.24 3gxd n ILE 114 Cb 0.00 0.49 0.07 0.00 -1.74 0.00 0.00 39.64 38.46 3gxd n ILE 114 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3gxd n GLY 115 N -0.29 -0.44 3.62 3.28 0.00 -0.69 -2.46 105.19 108.21 3gxd n GLY 115 Ca 0.03 0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 3gxd n GLY 115 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3gxd n TYR 116 N -4.55 1.19 -1.03 1.61 0.53 0.16 -4.82 117.16 110.24 3gxd n TYR 116 Ca -0.13 0.53 0.00 0.00 -1.02 0.00 0.00 57.90 57.28 3gxd n TYR 116 Cb 0.61 -2.23 0.00 0.00 -1.03 0.00 0.00 39.34 36.70 3gxd n TYR 116 CO 0.00 0.00 0.00 0.27 -1.02 0.00 0.00 176.86 176.11 3gxd n ASN 117 N 0.27 0.34 -4.13 7.72 6.94 0.12 -4.73 115.26 121.78 3gxd n ASN 117 Ca 0.10 -1.36 -0.18 0.00 -0.02 0.00 0.00 54.58 53.12 3gxd n ASN 117 Cb 0.41 -0.05 -0.13 0.00 -2.36 0.00 0.00 39.78 37.65 3gxd n ASN 117 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3gxd s ILE 118 N -0.22 0.97 -0.04 1.53 1.01 -0.60 0.05 121.20 123.90 3gxd s ILE 118 Ca 0.01 -1.06 -0.01 0.00 0.00 0.00 0.00 60.65 59.59 3gxd s ILE 118 Cb 0.01 -0.92 0.03 0.00 0.01 0.00 0.00 42.46 41.59 3gxd s ILE 118 CO 0.00 -0.13 0.02 -0.63 0.00 0.00 0.00 174.94 174.20 3gxd s ILE 119 N -1.03 0.13 -0.10 2.92 1.01 -0.97 -3.01 121.20 120.15 3gxd s ILE 119 Ca -0.02 0.19 -0.16 0.00 0.00 0.00 0.00 60.65 60.67 3gxd s ILE 119 Cb -0.09 -0.28 -0.05 0.00 0.01 0.00 0.00 42.46 42.06 3gxd s ILE 119 CO 0.01 0.17 0.39 -0.60 0.00 0.00 0.00 174.94 174.92 3gxd s ARG 120 N 1.52 4.17 -0.19 2.79 3.52 -0.19 -1.32 118.95 129.25 3gxd s ARG 120 Ca -0.03 0.31 0.01 0.00 -0.13 0.00 0.00 55.73 55.90 3gxd s ARG 120 Cb -0.13 -3.36 0.03 0.00 -1.56 0.00 0.00 34.95 29.92 3gxd s ARG 120 CO -0.03 0.36 -0.18 0.08 -0.81 0.00 0.00 175.30 174.72 3gxd s VAL 121 N 0.03 2.02 0.26 7.11 1.01 0.21 -0.99 120.40 130.04 3gxd s VAL 121 Ca 0.22 -1.00 -0.30 0.00 0.00 0.00 0.00 61.98 60.91 3gxd s VAL 121 Cb -0.15 -1.87 -0.10 0.00 0.00 0.00 0.00 36.38 34.26 3gxd s VAL 121 CO 0.09 0.46 1.36 -2.84 0.00 0.00 0.00 175.10 174.16 3gxd s PRO 122 N 1.29 4.34 -0.49 2.72 0.02 -1.26 -2.10 135.00 139.51 3gxd s PRO 122 Ca 0.03 2.19 -0.27 0.00 0.02 0.00 0.00 61.00 62.97 3gxd s PRO 122 Cb -0.14 -3.12 0.03 0.00 0.02 0.00 0.00 34.50 31.29 3gxd s PRO 122 CO -0.12 -0.29 1.06 -1.64 -0.33 0.00 0.00 177.00 175.69 3gxd s MET 123 N -0.74 3.61 2.50 5.54 -1.94 -0.73 -4.88 119.30 122.66 3gxd s MET 123 Ca 0.55 0.34 0.00 0.00 -1.71 0.00 0.00 55.69 54.87 3gxd s MET 123 Cb -0.39 -3.94 0.00 0.00 2.01 0.00 0.00 34.83 32.51 3gxd s MET 123 CO 0.45 -1.38 0.00 0.00 -0.01 0.00 0.00 175.02 174.08 3gxd n ALA 124 N 7.69 0.00 -1.79 3.03 0.00 -1.26 -4.19 120.51 123.98 3gxd n ALA 124 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.20 3gxd n ALA 124 Cb 0.49 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.90 3gxd n ALA 124 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3gxd s SER 125 N -4.00 6.48 0.00 0.00 1.04 -1.13 -4.90 113.70 111.19 3gxd s SER 125 Ca 0.00 1.82 0.00 0.00 0.48 0.00 0.00 55.95 58.25 3gxd s SER 125 Cb 0.00 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.57 3gxd s SER 125 CO 0.00 -0.68 0.00 0.00 0.98 0.00 0.00 173.24 173.54 3gxd h ASP 127 N 0.00 0.00 0.00 0.00 2.03 -1.96 -1.71 116.42 114.78 3gxd h ASP 127 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3gxd h ASP 127 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 3gxd h ASP 127 CO 0.00 0.31 0.00 0.49 -1.03 0.00 0.00 179.24 179.01 3gxd n PHE 128 N -3.33 0.00 -3.67 4.15 3.01 -1.26 -0.77 117.46 115.59 3gxd n PHE 128 Ca 0.01 -0.59 -0.23 0.00 1.01 0.00 0.00 57.45 57.65 3gxd n PHE 128 Cb 0.54 -0.30 -0.02 0.00 -0.01 0.00 0.00 39.48 39.69 3gxd n PHE 128 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 3gxd s SER 129 N 1.25 4.87 0.00 4.37 0.01 -0.65 -0.85 113.70 122.70 3gxd s SER 129 Ca 0.00 -0.95 0.23 0.00 1.31 0.00 0.00 55.95 56.54 3gxd s SER 129 Cb 0.00 -0.16 0.64 0.00 0.21 0.00 0.00 66.02 66.71 3gxd s SER 129 CO 0.00 -0.86 1.54 2.30 0.41 0.00 0.00 173.24 176.63 3gxd n ILE 130 N -1.66 0.96 -3.56 1.44 -5.35 -1.26 -2.70 119.36 107.23 3gxd n ILE 130 Ca 0.03 -0.98 -0.06 0.00 -0.27 0.00 0.00 62.75 61.46 3gxd n ILE 130 Cb 0.63 0.54 -0.02 0.00 -1.74 0.00 0.00 39.64 39.04 3gxd n ILE 130 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3gxd s ARG 131 N -1.04 0.51 -0.36 6.28 1.70 -1.26 -4.93 118.95 119.86 3gxd s ARG 131 Ca 0.49 -0.16 -0.10 0.00 -0.47 0.00 0.00 55.73 55.49 3gxd s ARG 131 Cb 0.26 0.24 0.02 0.00 -0.57 0.00 0.00 34.95 34.90 3gxd s ARG 131 CO 0.34 -0.22 0.19 0.95 -1.08 0.00 0.00 175.30 175.47 3gxd s THR 132 N -2.53 4.52 0.07 4.99 -4.23 -1.26 -4.84 115.64 112.37 3gxd s THR 132 Ca 0.07 -0.77 0.00 0.00 -1.18 0.00 0.00 61.69 59.81 3gxd s THR 132 Cb -0.01 -3.47 -0.04 0.00 1.34 0.00 0.00 72.50 70.32 3gxd s THR 132 CO -0.06 -0.16 -0.05 -0.72 -0.54 0.00 0.00 174.62 173.10 3gxd s TYR 133 N 1.56 0.65 0.40 3.99 -0.85 -1.26 -5.07 117.35 116.77 3gxd s TYR 133 Ca 0.02 -0.97 0.02 0.00 -0.52 0.00 0.00 57.07 55.63 3gxd s TYR 133 Cb -0.19 -0.43 -0.01 0.00 0.38 0.00 0.00 41.96 41.72 3gxd s TYR 133 CO 0.06 -0.27 0.07 0.25 -1.52 0.00 0.00 175.55 174.14 3gxd n THR 134 N 0.17 0.00 0.90 -3.49 -2.24 -1.26 -2.82 114.28 105.54 3gxd n THR 134 Ca -0.14 -2.10 0.13 0.00 -2.27 0.00 0.00 64.05 59.67 3gxd n THR 134 Cb 0.60 0.59 0.41 0.00 -2.10 0.00 0.00 70.33 69.84 3gxd n THR 134 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3gxd n TYR 135 N -0.96 0.18 -3.18 4.78 0.53 -1.26 -4.38 117.16 112.88 3gxd n TYR 135 Ca -0.12 0.05 -0.19 0.00 -1.02 0.00 0.00 57.90 56.63 3gxd n TYR 135 Cb 0.55 -0.49 -0.06 0.00 -1.03 0.00 0.00 39.34 38.32 3gxd n TYR 135 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3gxd s ALA 136 N -3.03 0.07 -0.56 -0.72 0.00 -1.26 -0.80 121.76 115.45 3gxd s ALA 136 Ca 0.12 -1.65 0.24 0.00 0.00 0.00 0.00 51.96 50.67 3gxd s ALA 136 Cb 0.17 -2.01 0.48 0.00 0.00 0.00 0.00 23.12 21.76 3gxd s ALA 136 CO 0.62 -2.08 1.56 -0.44 0.00 0.00 0.00 175.76 175.42 3gxd h ASP 137 N 5.56 0.00 -2.20 0.00 3.32 -1.92 -3.43 116.42 117.75 3gxd h ASP 137 Ca 0.18 -0.04 -0.58 0.00 0.02 0.00 0.00 57.03 56.61 3gxd h ASP 137 Cb 0.99 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.53 3gxd h ASP 137 CO 0.23 0.02 1.43 -0.89 -1.72 0.00 0.00 179.24 178.31 3gxd s THR 138 N -3.18 3.15 0.81 0.35 2.01 -1.26 -4.92 115.64 112.60 3gxd s THR 138 Ca 0.07 0.16 -0.14 0.00 0.31 0.00 0.00 61.69 62.09 3gxd s THR 138 Cb 0.10 -3.21 0.05 0.00 0.01 0.00 0.00 72.50 69.44 3gxd s THR 138 CO 0.67 -0.13 0.92 -2.65 -0.69 0.00 0.00 174.62 172.73 3gxd n PRO 139 N 8.67 0.14 -3.69 4.92 -0.02 -1.26 -4.05 135.00 139.71 3gxd n PRO 139 Ca 0.28 0.11 -0.29 0.00 -2.02 0.00 0.00 63.50 61.58 3gxd n PRO 139 Cb 0.46 -2.20 0.04 0.00 -0.02 0.00 0.00 33.50 31.77 3gxd n PRO 139 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3gxd n ASP 140 N -2.24 -4.36 -2.88 2.55 9.92 -1.26 -4.94 116.55 113.35 3gxd n ASP 140 Ca 0.12 -0.97 -0.23 0.00 -0.53 0.00 0.00 54.79 53.17 3gxd n ASP 140 Cb 0.51 -3.54 -0.02 0.00 -0.64 0.00 0.00 41.12 37.42 3gxd n ASP 140 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 3gxd n ASP 141 N -2.79 3.43 0.11 -2.24 2.03 -1.26 -4.94 116.55 110.89 3gxd n ASP 141 Ca -0.14 -3.45 0.09 0.00 0.52 0.00 0.00 54.79 51.80 3gxd n ASP 141 Cb 0.61 -0.55 0.42 0.00 -0.72 0.00 0.00 41.12 40.88 3gxd n ASP 141 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 3gxd n PHE 142 N -0.16 0.53 0.89 -0.67 3.01 -1.26 0.15 117.46 119.95 3gxd n PHE 142 Ca 0.29 0.25 0.11 0.00 1.01 0.00 0.00 57.45 59.11 3gxd n PHE 142 Cb 0.55 -0.91 0.08 0.00 -0.01 0.00 0.00 39.48 39.19 3gxd n PHE 142 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 3gxd n GLN 143 N -2.03 1.91 -3.63 -1.08 1.13 -1.26 -4.63 117.38 107.79 3gxd n GLN 143 Ca 0.00 -1.70 -0.25 0.00 -1.94 0.00 0.00 57.00 53.11 3gxd n GLN 143 Cb 0.08 -1.41 0.04 0.00 0.11 0.00 0.00 30.24 29.06 3gxd n GLN 143 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3gxd n LEU 144 N 1.09 -3.37 0.16 1.08 4.77 0.41 -4.89 117.00 116.24 3gxd n LEU 144 Ca 0.12 -0.91 0.07 0.00 -0.03 0.00 0.00 56.01 55.26 3gxd n LEU 144 Cb 0.52 -2.60 0.06 0.00 -2.33 0.00 0.00 43.42 39.08 3gxd n LEU 144 CO 0.14 0.39 0.48 0.45 -1.33 0.00 0.00 177.39 177.52 3gxd h HIS 145 N -1.74 0.00 -0.01 -1.77 3.86 -1.95 -3.25 115.15 110.28 3gxd h HIS 145 Ca -0.64 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.57 3gxd h HIS 145 Cb 1.35 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.82 3gxd h HIS 145 CO 0.38 0.27 -0.10 0.09 0.86 0.00 0.00 177.93 179.43 3gxd n ASN 146 N -3.09 1.52 -4.66 2.45 4.13 -1.26 -4.93 115.26 109.41 3gxd n ASN 146 Ca 0.01 -1.36 -0.55 0.00 1.68 0.00 0.00 54.58 54.36 3gxd n ASN 146 Cb 0.65 0.06 -0.07 0.00 -1.54 0.00 0.00 39.78 38.89 3gxd n ASN 146 CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87 3gxd n PHE 147 N 0.02 1.84 -3.50 3.10 7.35 -1.23 -4.79 117.46 120.26 3gxd n PHE 147 Ca 0.16 0.57 -0.11 0.00 -0.76 0.00 0.00 57.45 57.31 3gxd n PHE 147 Cb 0.38 -2.41 -0.02 0.00 0.35 0.00 0.00 39.48 37.78 3gxd n PHE 147 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 3gxd s SER 148 N 2.33 -0.52 -0.19 -2.13 1.04 0.02 -5.01 113.70 109.24 3gxd s SER 148 Ca 0.93 -0.10 -0.19 0.00 0.48 0.00 0.00 55.95 57.07 3gxd s SER 148 Cb -1.02 0.62 -0.03 0.00 0.10 0.00 0.00 66.02 65.69 3gxd s SER 148 CO 0.58 -1.03 0.53 -0.76 0.98 0.00 0.00 173.24 173.54 3gxd s LEU 149 N -2.78 4.15 0.00 2.42 1.43 -1.26 -4.57 118.68 118.08 3gxd s LEU 149 Ca 0.03 0.71 -0.01 0.00 -1.03 0.00 0.00 54.13 53.83 3gxd s LEU 149 Cb -0.02 -2.73 0.01 0.00 0.03 0.00 0.00 46.19 43.48 3gxd s LEU 149 CO -0.10 -0.18 0.05 -0.81 0.23 0.00 0.00 176.35 175.54 3gxd n PRO 150 N 4.76 -0.72 0.09 1.29 -0.04 -1.26 -4.71 135.00 134.40 3gxd n PRO 150 Ca -0.04 -0.08 -0.04 0.00 -0.04 0.00 0.00 63.50 63.30 3gxd n PRO 150 Cb 0.50 -0.06 -0.01 0.00 -0.04 0.00 0.00 33.50 33.89 3gxd n PRO 150 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 3gxd h GLU 151 N 0.00 0.00 -0.90 0.54 4.81 -1.98 -0.12 114.58 116.94 3gxd h GLU 151 Ca -0.02 0.00 0.15 0.00 -0.13 0.00 0.00 59.36 59.36 3gxd h GLU 151 Cb 0.05 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 29.34 3gxd h GLU 151 CO 0.01 0.84 0.49 0.93 -0.73 0.00 0.00 179.01 180.55 3gxd h GLU 152 N 0.00 0.68 0.04 1.92 3.07 -1.95 0.45 114.58 118.79 3gxd h GLU 152 Ca -0.01 -0.04 -0.00 0.00 -0.50 0.00 0.00 59.36 58.81 3gxd h GLU 152 Cb 1.52 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 29.28 3gxd h GLU 152 CO 0.11 0.45 -0.02 -0.44 -1.40 0.00 0.00 179.01 177.71 3gxd h ASP 153 N 0.70 -0.05 0.44 1.42 3.32 -1.81 0.43 116.42 120.87 3gxd h ASP 153 Ca 0.49 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.51 3gxd h ASP 153 Cb 0.68 0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.24 3gxd h ASP 153 CO -0.35 0.19 -0.15 0.71 -1.72 0.00 0.00 179.24 177.92 3gxd h THR 154 N -0.50 0.62 0.00 0.35 1.35 -0.93 0.39 112.91 114.18 3gxd h THR 154 Ca -0.01 -0.66 -0.01 0.00 -0.55 0.00 0.00 66.41 65.18 3gxd h THR 154 Cb 0.04 1.42 -0.00 0.00 -1.73 0.00 0.00 68.15 67.88 3gxd h THR 154 CO 0.01 0.15 -1.19 1.17 -0.25 0.00 0.00 175.52 175.40 3gxd n LYS 155 N -3.65 0.86 -0.05 4.72 4.81 0.15 -4.63 118.16 120.38 3gxd n LYS 155 Ca -0.02 -0.03 -0.12 0.00 -0.87 0.00 0.00 58.31 57.28 3gxd n LYS 155 Cb 0.27 -1.09 -0.04 0.00 0.02 0.00 0.00 35.03 34.19 3gxd n LYS 155 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 3gxd n LEU 156 N -1.75 0.89 0.03 3.14 4.77 -0.89 -4.72 117.00 118.48 3gxd n LEU 156 Ca -0.02 0.15 -0.11 0.00 -0.03 0.00 0.00 56.01 56.00 3gxd n LEU 156 Cb 0.22 -0.36 -0.08 0.00 -2.33 0.00 0.00 43.42 40.87 3gxd n LEU 156 CO 0.08 0.16 0.39 0.11 -1.33 0.00 0.00 177.39 176.80 3gxd h LYS 157 N -0.42 -0.17 -0.20 3.23 1.57 0.08 -3.14 116.57 117.52 3gxd h LYS 157 Ca -0.26 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.57 3gxd h LYS 157 Cb 1.17 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 33.48 3gxd h LYS 157 CO -0.16 0.30 -0.03 0.82 -0.57 0.00 0.00 179.45 179.80 3gxd h ILE 158 N -0.86 0.82 0.00 1.86 2.04 -1.15 -1.23 117.51 118.99 3gxd h ILE 158 Ca -0.02 -0.01 -0.05 0.00 1.00 0.00 0.00 64.86 65.79 3gxd h ILE 158 Cb 0.54 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 3gxd h ILE 158 CO 0.03 0.00 -0.22 -0.65 0.00 0.00 0.00 178.15 177.32 3gxd h PRO 159 N 0.02 0.00 -0.22 2.37 0.11 -1.78 0.02 132.00 132.52 3gxd h PRO 159 Ca 0.10 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 66.09 3gxd h PRO 159 Cb 0.14 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.25 3gxd h PRO 159 CO -0.19 0.22 -0.34 -0.07 -0.21 0.00 0.00 178.00 177.40 3gxd h LEU 160 N 0.00 0.68 -0.67 2.35 3.38 -1.41 -2.39 115.31 117.25 3gxd h LEU 160 Ca -0.00 -0.52 -0.00 0.00 0.09 0.00 0.00 57.88 57.44 3gxd h LEU 160 Cb 0.39 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 3gxd h LEU 160 CO 0.03 1.07 0.40 0.40 0.09 0.00 0.00 178.44 180.43 3gxd h ILE 161 N 0.31 1.19 -0.94 1.22 2.04 -0.80 -0.90 117.51 119.63 3gxd h ILE 161 Ca 0.02 -0.43 0.12 0.00 1.00 0.00 0.00 64.86 65.57 3gxd h ILE 161 Cb 0.92 0.28 -0.07 0.00 -0.74 0.00 0.00 36.82 37.21 3gxd h ILE 161 CO 0.08 0.20 0.60 0.45 0.00 0.00 0.00 178.15 179.48 3gxd h HIS 162 N 0.91 1.00 0.00 1.37 3.86 -0.89 -1.84 115.15 119.56 3gxd h HIS 162 Ca 0.24 0.03 -0.19 0.00 -1.16 0.00 0.00 60.37 59.29 3gxd h HIS 162 Cb -0.02 -0.32 -0.02 0.00 1.06 0.00 0.00 27.41 28.11 3gxd h HIS 162 CO -0.02 0.41 -0.86 0.00 0.86 0.00 0.00 177.93 178.33 3gxd h ARG 163 N 0.89 0.11 -0.29 2.45 3.08 -0.88 -1.66 114.38 118.08 3gxd h ARG 163 Ca 0.46 -0.12 -0.04 0.00 0.07 0.00 0.00 59.98 60.35 3gxd h ARG 163 Cb 0.52 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 3gxd h ARG 163 CO -0.22 0.90 0.03 0.00 -1.07 0.00 0.00 179.97 179.61 3gxd h ALA 164 N 1.06 0.38 -0.57 0.04 0.00 -0.72 -2.70 119.26 116.74 3gxd h ALA 164 Ca -0.03 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 3gxd h ALA 164 Cb 1.49 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.14 3gxd h ALA 164 CO 0.12 0.09 0.11 -0.07 0.00 0.00 0.00 179.25 179.50 3gxd h LEU 165 N 0.29 0.85 -1.30 0.00 3.38 -1.15 -1.87 115.31 115.52 3gxd h LEU 165 Ca 0.09 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 3gxd h LEU 165 Cb 0.36 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 3gxd h LEU 165 CO 0.01 0.85 0.23 1.56 0.09 0.00 0.00 178.44 181.17 3gxd h GLN 166 N 0.86 0.71 -0.01 1.13 4.20 -1.12 -2.82 115.11 118.07 3gxd h GLN 166 Ca 0.18 -0.09 -0.19 0.00 0.06 0.00 0.00 58.65 58.61 3gxd h GLN 166 Cb 0.35 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 3gxd h GLN 166 CO 0.00 0.57 -0.85 -0.07 -0.67 0.00 0.00 178.83 177.81 3gxd h LEU 167 N 0.71 0.27 -9.58 1.46 3.38 -1.11 -3.44 115.31 106.99 3gxd h LEU 167 Ca 0.18 -0.21 -0.52 0.00 0.09 0.00 0.00 57.88 57.42 3gxd h LEU 167 Cb 0.10 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 3gxd h LEU 167 CO -0.02 0.99 0.31 0.00 0.09 0.00 0.00 178.44 179.81 3gxd s ALA 168 N -3.27 3.29 -0.13 1.53 0.00 -0.75 -4.32 121.76 118.11 3gxd s ALA 168 Ca -0.03 0.50 -0.16 0.00 0.00 0.00 0.00 51.96 52.28 3gxd s ALA 168 Cb 0.10 -3.20 -0.25 0.00 0.00 0.00 0.00 23.12 19.77 3gxd s ALA 168 CO 0.83 0.02 0.45 -0.56 0.00 0.00 0.00 175.76 176.50 3gxd h GLN 169 N 5.46 0.19 -6.26 0.00 3.07 -1.85 -3.45 115.11 112.26 3gxd h GLN 169 Ca -0.43 -0.32 -0.68 0.00 0.09 0.00 0.00 58.65 57.30 3gxd h GLN 169 Cb 1.21 0.12 0.05 0.00 0.08 0.00 0.00 27.48 28.94 3gxd h GLN 169 CO 0.71 1.16 0.45 0.54 0.09 0.00 0.00 178.83 181.78 3gxd n ARG 170 N -3.96 1.11 -1.69 0.06 1.74 -1.26 -4.97 116.66 107.69 3gxd n ARG 170 Ca -0.27 0.40 -0.42 0.00 -0.77 0.00 0.00 57.85 56.79 3gxd n ARG 170 Cb 0.87 -2.04 -0.00 0.00 -1.02 0.00 0.00 32.46 30.27 3gxd n ARG 170 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 3gxd n PRO 171 N 2.55 2.03 -4.21 5.56 -0.02 -1.26 -4.97 135.00 134.68 3gxd n PRO 171 Ca 0.19 0.71 -0.34 0.00 -2.02 0.00 0.00 63.50 62.04 3gxd n PRO 171 Cb 0.19 -2.31 -0.14 0.00 -0.02 0.00 0.00 33.50 31.22 3gxd n PRO 171 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3gxd s VAL 172 N -1.12 3.42 0.07 -1.45 1.01 -1.26 -4.78 120.40 116.28 3gxd s VAL 172 Ca 0.57 -0.50 -0.19 0.00 0.00 0.00 0.00 61.98 61.86 3gxd s VAL 172 Cb -0.56 -2.52 -0.07 0.00 0.00 0.00 0.00 36.38 33.24 3gxd s VAL 172 CO 0.61 0.46 0.56 -0.44 0.00 0.00 0.00 175.10 176.29 3gxd s SER 173 N 0.99 7.05 -0.11 3.32 0.01 0.11 -4.94 113.70 120.12 3gxd s SER 173 Ca -0.00 1.24 -0.04 0.00 1.31 0.00 0.00 55.95 58.47 3gxd s SER 173 Cb -0.15 -2.36 -0.03 0.00 0.21 0.00 0.00 66.02 63.69 3gxd s SER 173 CO 0.00 0.27 0.02 -0.76 0.41 0.00 0.00 173.24 173.18 3gxd s LEU 174 N -1.05 3.69 -0.06 2.44 1.43 -1.26 -2.29 118.68 121.58 3gxd s LEU 174 Ca 0.29 0.15 0.03 0.00 -1.03 0.00 0.00 54.13 53.57 3gxd s LEU 174 Cb -0.19 -1.87 0.01 0.00 0.03 0.00 0.00 46.19 44.16 3gxd s LEU 174 CO 0.19 0.33 -0.16 -0.22 0.23 0.00 0.00 176.35 176.72 3gxd s LEU 175 N -0.58 1.80 -0.07 1.79 2.96 -0.44 -1.19 118.68 122.96 3gxd s LEU 175 Ca 0.10 -0.36 0.02 0.00 -0.22 0.00 0.00 54.13 53.68 3gxd s LEU 175 Cb -0.12 -0.96 -0.03 0.00 0.50 0.00 0.00 46.19 45.58 3gxd s LEU 175 CO 0.02 0.09 -0.12 0.00 -1.32 0.00 0.00 176.35 175.03 3gxd s ALA 176 N 0.41 2.77 -0.05 5.97 0.00 -0.33 0.64 121.76 131.16 3gxd s ALA 176 Ca -0.12 -0.94 0.02 0.00 0.00 0.00 0.00 51.96 50.92 3gxd s ALA 176 Cb -0.15 -1.10 0.01 0.00 0.00 0.00 0.00 23.12 21.89 3gxd s ALA 176 CO 0.04 0.51 -0.09 -1.12 0.00 0.00 0.00 175.76 175.10 3gxd s SER 177 N -0.58 1.36 0.45 0.00 0.01 -0.89 0.47 113.70 114.52 3gxd s SER 177 Ca 0.08 -0.22 -0.21 0.00 1.31 0.00 0.00 55.95 56.92 3gxd s SER 177 Cb -0.11 -0.60 -0.10 0.00 0.21 0.00 0.00 66.02 65.41 3gxd s SER 177 CO 0.01 0.01 0.99 -2.16 0.41 0.00 0.00 173.24 172.50 3gxd s PRO 178 N 0.67 4.05 -0.26 12.44 0.04 -1.26 -1.77 135.00 148.91 3gxd s PRO 178 Ca -0.12 1.21 -0.02 0.00 0.04 0.00 0.00 61.00 62.12 3gxd s PRO 178 Cb -0.14 -2.14 -0.16 0.00 0.04 0.00 0.00 34.50 32.09 3gxd s PRO 178 CO 0.02 -0.20 -0.25 0.91 0.04 0.00 0.00 177.00 177.52 3gxd n TRP 179 N -0.79 0.02 -3.85 0.56 8.01 -1.26 0.32 117.44 120.45 3gxd n TRP 179 Ca 0.08 0.00 -0.09 0.00 -1.31 0.00 0.00 57.50 56.18 3gxd n TRP 179 Cb 0.53 -1.00 -0.07 0.00 -2.01 0.00 0.00 31.31 28.76 3gxd n TRP 179 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.69 176.60 3gxd s THR 180 N -2.52 0.13 0.41 -0.99 -1.32 -1.26 -2.90 115.64 107.19 3gxd s THR 180 Ca -0.36 -1.14 -0.00 0.00 -1.21 0.00 0.00 61.69 58.97 3gxd s THR 180 Cb 0.10 -1.37 -0.02 0.00 -1.51 0.00 0.00 72.50 69.71 3gxd s THR 180 CO 0.58 -0.59 0.63 -0.94 -2.21 0.00 0.00 174.62 172.09 3gxd s SER 181 N -2.86 6.09 0.20 8.08 1.04 -1.26 -5.00 113.70 119.98 3gxd s SER 181 Ca 0.06 0.45 -0.24 0.00 0.48 0.00 0.00 55.95 56.70 3gxd s SER 181 Cb 0.04 -1.85 -0.15 0.00 0.10 0.00 0.00 66.02 64.17 3gxd s SER 181 CO -0.10 -0.51 0.40 -2.65 0.98 0.00 0.00 173.24 171.36 3gxd n PRO 182 N -1.98 0.00 0.29 4.02 -0.02 -1.26 -4.84 135.00 131.21 3gxd n PRO 182 Ca -0.01 0.00 0.17 0.00 -2.02 0.00 0.00 63.50 61.64 3gxd n PRO 182 Cb 0.57 -0.87 0.82 0.00 -0.02 0.00 0.00 33.50 33.99 3gxd n PRO 182 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 3gxd h THR 183 N 0.79 0.19 -0.04 3.45 1.35 -1.89 -2.73 112.91 114.04 3gxd h THR 183 Ca -0.25 -0.44 0.00 0.00 -0.55 0.00 0.00 66.41 65.17 3gxd h THR 183 Cb 1.25 1.36 0.00 0.00 -1.73 0.00 0.00 68.15 69.03 3gxd h THR 183 CO 0.49 0.05 0.00 -2.67 -0.25 0.00 0.00 175.52 173.13 3gxd n TRP 184 N -3.26 0.05 1.03 4.73 4.27 -1.26 -2.16 117.44 120.85 3gxd n TRP 184 Ca -0.01 -0.03 0.11 0.00 -3.89 0.00 0.00 57.50 53.69 3gxd n TRP 184 Cb 0.24 0.00 0.06 0.00 -1.36 0.00 0.00 31.31 30.25 3gxd n TRP 184 CO 0.00 0.00 0.00 1.28 -2.29 0.00 0.00 177.69 176.68 3gxd n LEU 185 N -0.47 2.12 -4.90 5.67 4.77 -1.03 -4.94 117.00 118.22 3gxd n LEU 185 Ca 0.16 -0.76 -0.32 0.00 -0.03 0.00 0.00 56.01 55.06 3gxd n LEU 185 Cb 0.15 -0.01 -0.05 0.00 -2.33 0.00 0.00 43.42 41.19 3gxd n LEU 185 CO 0.12 0.38 -0.06 -0.54 -1.33 0.00 0.00 177.39 175.96 3gxd s LYS 186 N -2.38 3.54 0.27 3.23 1.02 -0.92 -0.53 119.74 123.98 3gxd s LYS 186 Ca 0.21 -0.21 -0.01 0.00 0.02 0.00 0.00 55.97 55.99 3gxd s LYS 186 Cb 0.19 -2.99 0.51 0.00 -0.52 0.00 0.00 37.83 35.02 3gxd s LYS 186 CO 0.51 0.57 1.81 1.79 -0.92 0.00 0.00 175.35 179.11 3gxd h THR 187 N 2.36 0.86 -0.17 2.17 1.35 0.71 -3.11 112.91 117.09 3gxd h THR 187 Ca -0.47 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.10 3gxd h THR 187 Cb 1.17 -0.05 0.00 0.00 -1.73 0.00 0.00 68.15 67.54 3gxd h THR 187 CO 0.72 0.15 0.00 -0.46 -0.25 0.00 0.00 175.52 175.68 3gxd n ASN 188 N -4.72 2.97 -4.28 5.36 6.94 -1.26 -4.98 115.26 115.28 3gxd n ASN 188 Ca 0.17 -1.94 -0.31 0.00 -0.02 0.00 0.00 54.58 52.49 3gxd n ASN 188 Cb 0.36 -0.10 -0.09 0.00 -2.36 0.00 0.00 39.78 37.59 3gxd n ASN 188 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3gxd n GLY 189 N 1.38 -0.14 3.23 4.83 0.00 -1.18 -4.96 105.19 108.35 3gxd n GLY 189 Ca 0.17 0.17 -0.13 0.00 0.00 0.00 0.00 46.02 46.23 3gxd n GLY 189 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gxd s ALA 190 N -4.33 -0.75 -0.48 4.61 0.00 -1.26 -4.97 121.76 114.59 3gxd s ALA 190 Ca 0.01 0.29 0.25 0.00 0.00 0.00 0.00 51.96 52.52 3gxd s ALA 190 Cb -0.01 0.07 0.95 0.00 0.00 0.00 0.00 23.12 24.14 3gxd s ALA 190 CO 0.99 -0.26 1.76 -0.39 0.00 0.00 0.00 175.76 177.86 3gxd h VAL 191 N 3.90 0.00 -0.46 0.00 -1.51 -1.93 -3.46 116.25 112.79 3gxd h VAL 191 Ca -0.30 -0.37 0.00 0.00 -1.23 0.00 0.00 66.70 64.81 3gxd h VAL 191 Cb 1.18 1.21 0.00 0.00 -2.13 0.00 0.00 31.29 31.55 3gxd h VAL 191 CO 0.40 0.00 0.00 -0.46 -1.23 0.00 0.00 177.57 176.28 3gxd n ASN 192 N -2.38 0.05 -0.70 4.19 6.94 -1.26 -2.85 115.26 119.25 3gxd n ASN 192 Ca 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.59 3gxd n ASN 192 Cb 0.31 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.73 3gxd n ASN 192 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3gxd n GLY 193 N 0.35 -0.40 3.72 4.83 0.00 0.16 -4.73 105.19 109.12 3gxd n GLY 193 Ca 0.00 -0.91 -0.41 0.00 0.00 0.00 0.00 46.02 44.70 3gxd n GLY 193 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gxd s LYS 194 N 0.00 4.55 0.00 1.61 2.20 -1.17 -4.64 119.74 122.30 3gxd s LYS 194 Ca 0.00 1.23 0.00 0.00 -0.36 0.00 0.00 55.97 56.84 3gxd s LYS 194 Cb 0.00 -3.41 0.00 0.00 -1.51 0.00 0.00 37.83 32.91 3gxd s LYS 194 CO 0.00 0.12 0.00 0.41 -0.36 0.00 0.00 175.35 175.52 3gxd n GLY 195 N 2.65 2.72 1.46 5.54 0.00 -1.07 -4.64 105.19 111.85 3gxd n GLY 195 Ca 0.02 0.09 -0.13 0.00 0.00 0.00 0.00 46.02 45.99 3gxd n GLY 195 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gxd n SER 196 N 0.00 2.57 -4.75 1.61 3.41 -1.26 -1.22 113.62 113.98 3gxd n SER 196 Ca 0.00 -1.89 -0.37 0.00 -0.26 0.00 0.00 58.87 56.35 3gxd n SER 196 Cb 0.00 0.14 0.04 0.00 -0.26 0.00 0.00 64.21 64.13 3gxd n SER 196 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3gxd s LEU 197 N 0.00 3.70 0.30 1.04 1.43 -1.26 0.12 118.68 124.01 3gxd s LEU 197 Ca 0.00 2.53 -0.28 0.00 -1.03 0.00 0.00 54.13 55.35 3gxd s LEU 197 Cb 0.00 -4.51 -0.09 0.00 0.03 0.00 0.00 46.19 41.61 3gxd s LEU 197 CO 0.00 -1.66 1.06 -0.54 0.23 0.00 0.00 176.35 175.44 3gxd s LYS 198 N -3.21 4.57 5.81 1.70 1.02 0.32 -4.44 119.74 125.51 3gxd s LYS 198 Ca 0.77 1.68 0.00 0.00 0.02 0.00 0.00 55.97 58.44 3gxd s LYS 198 Cb -0.34 -3.05 0.00 0.00 -0.52 0.00 0.00 37.83 33.91 3gxd s LYS 198 CO 0.38 0.18 0.00 0.41 -0.92 0.00 0.00 175.35 175.40 3gxd n GLY 199 N 1.04 0.83 3.30 -3.33 0.00 -1.26 -4.65 105.19 101.11 3gxd n GLY 199 Ca 0.00 -0.66 -0.13 0.00 0.00 0.00 0.00 46.02 45.23 3gxd n GLY 199 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3gxd s GLN 200 N 0.00 0.83 0.08 1.61 0.00 -1.26 -5.10 119.66 115.81 3gxd s GLN 200 Ca 0.00 -0.30 -0.36 0.00 -0.00 0.00 0.00 55.36 54.70 3gxd s GLN 200 Cb 0.00 0.37 -0.18 0.00 0.00 0.00 0.00 33.01 33.19 3gxd s GLN 200 CO 0.00 -0.26 0.98 -2.30 0.00 0.00 0.00 175.29 173.71 3gxd n PRO 201 N 0.78 0.25 0.00 9.60 -0.02 -1.26 -1.47 135.00 142.88 3gxd n PRO 201 Ca -0.19 0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.37 3gxd n PRO 201 Cb 0.58 -1.49 0.00 0.00 -0.02 0.00 0.00 33.50 32.58 3gxd n PRO 201 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gxd n GLY 202 N 1.76 3.00 2.70 -1.23 0.00 -1.26 -5.05 105.19 105.11 3gxd n GLY 202 Ca 0.19 -0.97 -0.22 0.00 0.00 0.00 0.00 46.02 45.02 3gxd n GLY 202 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3gxd n ASP 203 N 0.44 -1.16 0.20 1.61 5.68 -0.54 -4.64 116.55 118.14 3gxd n ASP 203 Ca 0.00 -1.12 0.07 0.00 -0.50 0.00 0.00 54.79 53.23 3gxd n ASP 203 Cb 0.00 -0.75 0.57 0.00 -1.14 0.00 0.00 41.12 39.79 3gxd n ASP 203 CO 0.00 0.00 0.00 0.40 -1.33 0.00 0.00 177.20 176.27 3gxd h ILE 204 N -2.13 1.05 0.04 2.12 1.08 -1.95 -2.07 117.51 115.66 3gxd h ILE 204 Ca -0.31 -0.19 -0.00 0.00 -0.39 0.00 0.00 64.86 63.97 3gxd h ILE 204 Cb 0.92 0.99 0.00 0.00 -3.07 0.00 0.00 36.82 35.66 3gxd h ILE 204 CO 0.21 0.06 -0.02 1.88 -0.69 0.00 0.00 178.15 179.59 3gxd h TYR 205 N 0.10 -0.05 -0.69 1.37 -1.99 -1.91 -1.81 116.97 112.00 3gxd h TYR 205 Ca 0.03 -0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.73 3gxd h TYR 205 Cb 0.07 0.02 -0.03 0.00 2.00 0.00 0.00 36.73 38.78 3gxd h TYR 205 CO 0.00 0.57 0.33 0.45 -0.00 0.00 0.00 178.16 179.50 3gxd h HIS 206 N -0.73 0.97 -0.66 4.88 3.86 -1.78 0.40 115.15 122.08 3gxd h HIS 206 Ca -0.01 -0.04 -0.08 0.00 -1.16 0.00 0.00 60.37 59.08 3gxd h HIS 206 Cb 0.64 -0.30 -0.03 0.00 1.06 0.00 0.00 27.41 28.78 3gxd h HIS 206 CO 0.14 0.71 0.09 1.96 0.86 0.00 0.00 177.93 181.69 3gxd h GLN 207 N 0.97 1.11 -0.29 2.45 1.08 -1.42 0.98 115.11 119.99 3gxd h GLN 207 Ca 0.24 -0.31 -0.04 0.00 -1.45 0.00 0.00 58.65 57.09 3gxd h GLN 207 Cb 0.11 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.40 3gxd h GLN 207 CO -0.03 1.03 0.04 1.15 -0.95 0.00 0.00 178.83 180.06 3gxd h THR 208 N 1.04 1.24 0.56 -0.54 2.02 -0.56 0.20 112.91 116.87 3gxd h THR 208 Ca 0.20 -0.83 -0.03 0.00 0.77 0.00 0.00 66.41 66.52 3gxd h THR 208 Cb 0.47 1.22 0.01 0.00 -1.74 0.00 0.00 68.15 68.11 3gxd h THR 208 CO 0.02 0.27 -0.27 -0.25 0.37 0.00 0.00 175.52 175.66 3gxd h TRP 209 N 0.30 -0.69 -0.92 3.16 -0.00 -0.78 0.21 115.95 117.23 3gxd h TRP 209 Ca 0.09 -0.02 0.27 0.00 -0.00 0.00 0.00 58.89 59.23 3gxd h TRP 209 Cb 0.36 0.23 -0.15 0.00 -0.00 0.00 0.00 29.16 29.60 3gxd h TRP 209 CO 0.03 -0.38 0.33 0.00 -0.00 0.00 0.00 178.44 178.42 3gxd h ALA 210 N -0.52 1.49 -0.47 2.65 0.00 -0.81 0.20 119.26 121.81 3gxd h ALA 210 Ca -0.08 0.22 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 3gxd h ALA 210 Cb 0.62 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 3gxd h ALA 210 CO 0.13 -0.51 0.14 -0.09 0.00 0.00 0.00 179.25 178.91 3gxd h ARG 211 N 0.23 0.70 -0.96 0.00 2.43 -0.18 -2.94 114.38 113.65 3gxd h ARG 211 Ca 0.62 -0.12 0.05 0.00 -0.81 0.00 0.00 59.98 59.72 3gxd h ARG 211 Cb 1.31 -0.12 -0.06 0.00 -0.42 0.00 0.00 29.97 30.68 3gxd h ARG 211 CO -0.66 0.62 0.62 -0.92 -1.51 0.00 0.00 179.97 178.12 3gxd h TYR 212 N 0.69 1.16 -0.89 2.20 3.20 0.15 0.30 116.97 123.76 3gxd h TYR 212 Ca 0.16 0.03 0.12 0.00 3.14 0.00 0.00 58.73 62.18 3gxd h TYR 212 Cb 0.22 -0.38 -0.08 0.00 1.54 0.00 0.00 36.73 38.02 3gxd h TYR 212 CO 0.01 0.63 0.52 0.74 -1.64 0.00 0.00 178.16 178.42 3gxd h PHE 213 N 1.16 0.93 -0.10 -3.82 -1.00 -1.32 -1.17 116.94 111.62 3gxd h PHE 213 Ca 0.40 0.03 -0.04 0.00 2.81 0.00 0.00 57.97 61.17 3gxd h PHE 213 Cb 0.09 -0.28 -0.00 0.00 3.61 0.00 0.00 35.95 39.37 3gxd h PHE 213 CO -0.01 0.34 -0.11 0.28 -1.61 0.00 0.00 178.31 177.20 3gxd h VAL 214 N 0.81 1.37 -0.93 -0.55 2.07 -0.57 -2.77 116.25 115.68 3gxd h VAL 214 Ca 0.45 -1.29 0.14 0.00 0.82 0.00 0.00 66.70 66.82 3gxd h VAL 214 Cb 0.49 2.00 -0.09 0.00 -1.52 0.00 0.00 31.29 32.17 3gxd h VAL 214 CO -0.28 0.37 0.54 0.11 0.02 0.00 0.00 177.57 178.32 3gxd h LYS 215 N -0.18 0.77 0.27 1.57 1.79 -0.85 0.25 116.57 120.19 3gxd h LYS 215 Ca 0.01 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 3gxd h LYS 215 Cb 0.64 -0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 31.09 3gxd h LYS 215 CO 0.03 0.51 -0.29 0.35 -1.08 0.00 0.00 179.45 178.96 3gxd h PHE 216 N 0.79 -0.78 -0.28 -1.35 3.57 -1.15 -0.90 116.94 116.84 3gxd h PHE 216 Ca 0.50 0.01 0.06 0.00 3.53 0.00 0.00 57.97 62.06 3gxd h PHE 216 Cb 0.63 0.31 -0.05 0.00 2.79 0.00 0.00 35.95 39.63 3gxd h PHE 216 CO -0.04 -0.42 -0.07 -0.07 -2.23 0.00 0.00 178.31 175.48 3gxd h LEU 217 N -0.60 -0.26 -0.54 0.59 3.38 -1.06 -1.81 115.31 115.01 3gxd h LEU 217 Ca -0.01 0.08 0.11 0.00 0.09 0.00 0.00 57.88 58.16 3gxd h LEU 217 Cb 0.56 0.17 -0.10 0.00 0.09 0.00 0.00 40.66 41.39 3gxd h LEU 217 CO -0.07 -0.09 -0.07 0.44 0.09 0.00 0.00 178.44 178.74 3gxd h ASP 218 N 0.00 -0.37 -0.43 -0.43 3.32 -0.41 -1.24 116.42 116.85 3gxd h ASP 218 Ca 0.14 0.15 -0.00 0.00 0.02 0.00 0.00 57.03 57.33 3gxd h ASP 218 Cb 0.21 0.29 -0.02 0.00 0.22 0.00 0.00 39.33 40.02 3gxd h ASP 218 CO -0.29 -0.14 0.27 0.00 -1.72 0.00 0.00 179.24 177.36 3gxd h ALA 219 N 1.51 0.55 -0.05 3.45 0.00 -0.85 -2.09 119.26 121.79 3gxd h ALA 219 Ca 0.27 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 3gxd h ALA 219 Cb 0.42 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3gxd h ALA 219 CO -0.51 0.04 -0.40 1.88 0.00 0.00 0.00 179.25 180.27 3gxd h TYR 220 N 0.58 0.13 -0.62 0.00 -1.99 -1.01 -2.85 116.97 111.21 3gxd h TYR 220 Ca 0.16 -0.03 -0.06 0.00 2.00 0.00 0.00 58.73 60.79 3gxd h TYR 220 Cb -0.01 -0.03 -0.03 0.00 2.00 0.00 0.00 36.73 38.66 3gxd h TYR 220 CO -0.03 0.49 0.14 0.00 -0.00 0.00 0.00 178.16 178.76 3gxd h ALA 221 N 1.50 1.07 -0.35 3.88 0.00 -0.73 -0.60 119.26 124.04 3gxd h ALA 221 Ca 0.01 -0.23 0.09 0.00 0.00 0.00 0.00 54.91 54.77 3gxd h ALA 221 Cb 0.75 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3gxd h ALA 221 CO 0.06 0.61 0.25 0.93 0.00 0.00 0.00 179.25 181.09 3gxd h GLU 222 N 0.94 0.05 -0.52 0.00 5.08 -1.14 0.80 114.58 119.79 3gxd h GLU 222 Ca 0.20 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 3gxd h GLU 222 Cb 0.35 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.59 3gxd h GLU 222 CO 0.00 0.04 0.00 0.72 -1.00 0.00 0.00 179.01 178.77 3gxd n HIS 223 N -4.45 0.75 -3.22 4.33 8.25 -0.56 -4.94 115.22 115.38 3gxd n HIS 223 Ca 0.05 -0.35 -0.15 0.00 -0.26 0.00 0.00 57.72 57.01 3gxd n HIS 223 Cb 0.39 -0.05 0.07 0.00 1.12 0.00 0.00 29.99 31.52 3gxd n HIS 223 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3gxd n LYS 224 N 0.86 -5.66 -4.79 -0.41 4.76 0.28 -5.04 118.16 108.17 3gxd n LYS 224 Ca 0.17 0.69 -0.25 0.00 -2.87 0.00 0.00 58.31 56.04 3gxd n LYS 224 Cb 0.47 -5.24 -0.16 0.00 -1.84 0.00 0.00 35.03 28.26 3gxd n LYS 224 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3gxd s LEU 225 N -5.69 1.90 -0.05 -0.35 1.43 -0.34 -4.97 118.68 110.62 3gxd s LEU 225 Ca 0.12 -0.34 0.03 0.00 -1.03 0.00 0.00 54.13 52.91 3gxd s LEU 225 Cb -0.05 -0.93 -0.03 0.00 0.03 0.00 0.00 46.19 45.21 3gxd s LEU 225 CO 0.59 0.14 -0.11 -1.10 0.23 0.00 0.00 176.35 176.11 3gxd s GLN 226 N 0.06 2.58 0.10 1.70 -1.52 -1.26 -3.16 119.66 118.15 3gxd s GLN 226 Ca -0.04 -0.66 -0.18 0.00 -1.95 0.00 0.00 55.36 52.54 3gxd s GLN 226 Cb -0.11 -2.46 -0.07 0.00 -0.22 0.00 0.00 33.01 30.15 3gxd s GLN 226 CO 0.02 0.63 0.57 -0.06 -0.25 0.00 0.00 175.29 176.20 3gxd s PHE 227 N -0.80 3.74 0.00 0.91 0.40 -1.26 -4.47 117.98 116.51 3gxd s PHE 227 Ca 0.13 1.21 -0.25 0.00 -0.60 0.00 0.00 56.93 57.42 3gxd s PHE 227 Cb -0.11 -2.46 -0.19 0.00 0.51 0.00 0.00 43.02 40.77 3gxd s PHE 227 CO 0.02 0.53 1.35 2.35 0.70 0.00 0.00 175.22 180.17 3gxd h TRP 228 N 4.21 -0.02 -2.85 0.36 7.01 -1.50 -3.42 115.95 119.73 3gxd h TRP 228 Ca -0.49 -0.00 -0.04 0.00 2.11 0.00 0.00 58.89 60.46 3gxd h TRP 228 Cb 1.21 0.01 -0.14 0.00 -2.10 0.00 0.00 29.16 28.13 3gxd h TRP 228 CO 0.67 0.36 0.11 0.00 -2.79 0.00 0.00 178.44 176.80 3gxd s ALA 229 N -4.64 -1.44 0.11 2.65 0.00 -0.89 -2.35 121.76 115.20 3gxd s ALA 229 Ca -0.15 0.56 0.10 0.00 0.00 0.00 0.00 51.96 52.47 3gxd s ALA 229 Cb 0.02 0.58 -0.04 0.00 0.00 0.00 0.00 23.12 23.69 3gxd s ALA 229 CO 0.66 -0.62 -0.25 0.14 0.00 0.00 0.00 175.76 175.69 3gxd s VAL 230 N -3.01 2.32 0.06 0.00 -7.23 -0.16 -1.19 120.40 111.20 3gxd s VAL 230 Ca -0.02 -1.63 -0.11 0.00 -1.81 0.00 0.00 61.98 58.41 3gxd s VAL 230 Cb -0.00 -2.01 -0.06 0.00 0.56 0.00 0.00 36.38 34.87 3gxd s VAL 230 CO -0.06 0.16 0.41 0.42 -0.31 0.00 0.00 175.10 175.71 3gxd s THR 231 N -1.01 5.07 0.56 5.32 -4.23 0.18 -1.46 115.64 120.08 3gxd s THR 231 Ca 0.14 0.57 0.30 0.00 -1.18 0.00 0.00 61.69 61.52 3gxd s THR 231 Cb -0.10 -3.66 0.43 0.00 1.34 0.00 0.00 72.50 70.50 3gxd s THR 231 CO 0.06 0.37 1.88 0.00 -0.54 0.00 0.00 174.62 176.39 3gxd h ALA 232 N 3.99 2.51 0.00 3.99 0.00 -1.66 -3.39 119.26 124.71 3gxd h ALA 232 Ca -0.50 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3gxd h ALA 232 Cb 1.20 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3gxd h ALA 232 CO 0.65 -0.92 0.00 -1.91 0.00 0.00 0.00 179.25 177.07 3gxd n GLU 233 N -3.97 0.00 -2.72 0.00 4.07 -1.26 -4.90 120.64 111.85 3gxd n GLU 233 Ca 0.13 0.00 -0.40 0.00 -0.06 0.00 0.00 57.16 56.83 3gxd n GLU 233 Cb 0.82 0.00 -0.06 0.00 -0.06 0.00 0.00 31.44 32.14 3gxd n GLU 233 CO 0.00 0.00 0.00 1.21 -0.06 0.00 0.00 177.13 178.28 3gxd s ASN 234 N 0.00 7.59 -0.04 4.31 2.47 0.15 -4.24 114.94 125.18 3gxd s ASN 234 Ca 0.00 1.96 -0.00 0.00 0.42 0.00 0.00 52.86 55.23 3gxd s ASN 234 Cb 0.00 -2.61 0.00 0.00 -1.45 0.00 0.00 41.25 37.19 3gxd s ASN 234 CO 0.00 0.10 0.03 -0.62 -3.72 0.00 0.00 177.10 172.89 3gxd n GLU 235 N 1.65 -0.23 -0.21 0.43 1.02 -0.58 -4.74 120.64 117.97 3gxd n GLU 235 Ca -0.01 -0.05 0.24 0.00 -0.02 0.00 0.00 57.16 57.32 3gxd n GLU 235 Cb 0.47 0.04 0.62 0.00 -0.02 0.00 0.00 31.44 32.55 3gxd n GLU 235 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3gxd h PRO 236 N 1.25 0.19 -0.48 3.49 0.13 -1.79 -2.52 132.00 132.27 3gxd h PRO 236 Ca -0.03 -0.01 -0.13 0.00 -0.87 0.00 0.00 66.00 64.96 3gxd h PRO 236 Cb 0.07 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.15 3gxd h PRO 236 CO 0.02 0.12 -0.21 0.66 -0.23 0.00 0.00 178.00 178.37 3gxd h SER 237 N 0.19 1.01 -0.87 1.44 4.64 -1.87 -2.90 113.55 115.19 3gxd h SER 237 Ca 0.45 -0.39 0.23 0.00 -0.47 0.00 0.00 61.79 61.61 3gxd h SER 237 Cb 1.46 -0.28 -0.15 0.00 -0.31 0.00 0.00 62.40 63.13 3gxd h SER 237 CO -0.10 1.18 0.10 0.00 -0.87 0.00 0.00 176.83 177.14 3gxd h ALA 238 N 0.86 1.09 0.00 5.18 0.00 -1.81 -0.94 119.26 123.65 3gxd h ALA 238 Ca 0.11 0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.28 3gxd h ALA 238 Cb 0.78 0.43 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3gxd h ALA 238 CO 0.07 -0.49 0.00 0.41 0.00 0.00 0.00 179.25 179.24 3gxd n GLY 239 N -1.43 -0.13 0.77 0.00 0.00 -1.13 -0.93 105.19 102.33 3gxd n GLY 239 Ca 0.19 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.28 3gxd n GLY 239 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gxd n LEU 240 N -1.13 3.21 -4.46 0.99 4.77 -0.36 -2.60 117.00 117.42 3gxd n LEU 240 Ca 0.00 -2.16 -0.33 0.00 -0.03 0.00 0.00 56.01 53.49 3gxd n LEU 240 Cb 0.00 -0.31 -0.13 0.00 -2.33 0.00 0.00 43.42 40.65 3gxd n LEU 240 CO 0.00 0.74 -0.44 -0.76 -1.33 0.00 0.00 177.39 175.60 3gxd s LEU 241 N -1.29 2.78 0.27 2.23 1.43 -0.11 -4.98 118.68 119.01 3gxd s LEU 241 Ca 0.29 -0.21 -0.29 0.00 -1.03 0.00 0.00 54.13 52.89 3gxd s LEU 241 Cb 0.17 -1.58 -0.10 0.00 0.03 0.00 0.00 46.19 44.71 3gxd s LEU 241 CO 0.16 0.30 1.32 -0.94 0.23 0.00 0.00 176.35 177.42 3gxd s SER 242 N -0.47 6.83 0.00 2.29 1.04 -1.26 -2.91 113.70 119.21 3gxd s SER 242 Ca 0.06 2.55 0.00 0.00 0.48 0.00 0.00 55.95 59.05 3gxd s SER 242 Cb -0.12 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.37 3gxd s SER 242 CO 0.02 -0.53 0.00 0.61 0.98 0.00 0.00 173.24 174.32 3gxd n GLY 243 N 1.62 0.97 3.70 7.32 0.00 -1.26 -4.85 105.19 112.69 3gxd n GLY 243 Ca 0.03 0.00 -0.58 0.00 0.00 0.00 0.00 46.02 45.47 3gxd n GLY 243 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3gxd n TYR 244 N -2.02 1.97 0.06 1.61 9.36 -1.15 -4.68 117.16 122.32 3gxd n TYR 244 Ca 0.00 0.61 -0.11 0.00 3.32 0.00 0.00 57.90 61.72 3gxd n TYR 244 Cb 0.00 -2.42 -0.00 0.00 -0.63 0.00 0.00 39.34 36.28 3gxd n TYR 244 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 3gxd h PRO 245 N 6.76 0.39 -7.20 2.98 0.13 -1.94 0.45 132.00 133.56 3gxd h PRO 245 Ca -0.46 -0.36 -0.49 0.00 -0.87 0.00 0.00 66.00 63.82 3gxd h PRO 245 Cb 1.33 0.09 0.06 0.00 0.13 0.00 0.00 31.00 32.60 3gxd h PRO 245 CO 0.95 1.02 0.26 -0.06 -0.23 0.00 0.00 178.00 179.94 3gxd s PHE 246 N -3.44 3.41 0.06 1.56 2.99 -1.26 -4.80 117.98 116.50 3gxd s PHE 246 Ca -0.05 0.90 -0.35 0.00 0.00 0.00 0.00 56.93 57.42 3gxd s PHE 246 Cb 0.10 -2.71 -0.14 0.00 0.00 0.00 0.00 43.02 40.26 3gxd s PHE 246 CO 0.85 -0.76 1.60 1.04 -0.00 0.00 0.00 175.22 177.96 3gxd n GLN 247 N -2.64 1.87 -3.83 0.44 3.00 -1.26 -4.41 117.38 110.55 3gxd n GLN 247 Ca 0.04 0.68 -0.13 0.00 -0.01 0.00 0.00 57.00 57.58 3gxd n GLN 247 Cb 0.56 -2.43 -0.03 0.00 0.00 0.00 0.00 30.24 28.35 3gxd n GLN 247 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3gxd s LEU 249 N 0.00 -0.89 0.09 0.00 2.96 -1.19 -4.38 118.68 115.27 3gxd s LEU 249 Ca 0.27 0.72 -0.29 0.00 -0.22 0.00 0.00 54.13 54.61 3gxd s LEU 249 Cb -0.01 1.81 -0.06 0.00 0.50 0.00 0.00 46.19 48.43 3gxd s LEU 249 CO 0.19 -0.17 0.91 -0.83 -1.32 0.00 0.00 176.35 175.13 3gxd s GLY 250 N 2.82 2.95 -0.03 7.98 0.00 -0.36 -4.54 107.32 116.14 3gxd s GLY 250 Ca 0.06 0.50 -0.00 0.00 0.00 0.00 0.00 44.72 45.28 3gxd s GLY 250 CO -0.17 1.37 0.03 -1.36 0.00 0.00 0.00 173.10 172.97 3gxd s PHE 251 N -0.00 0.13 0.83 1.90 0.40 -1.11 -4.31 117.98 115.81 3gxd s PHE 251 Ca 0.45 0.12 -0.11 0.00 -0.60 0.00 0.00 56.93 56.78 3gxd s PHE 251 Cb -0.23 -0.35 0.09 0.00 0.51 0.00 0.00 43.02 43.04 3gxd s PHE 251 CO 0.28 -0.13 1.09 0.95 0.70 0.00 0.00 175.22 178.11 3gxd s THR 252 N 1.34 3.00 0.27 0.64 -4.23 -1.26 -4.34 115.64 111.06 3gxd s THR 252 Ca -0.06 0.32 0.01 0.00 -1.18 0.00 0.00 61.69 60.79 3gxd s THR 252 Cb -0.13 -2.94 0.26 0.00 1.34 0.00 0.00 72.50 71.03 3gxd s THR 252 CO -0.03 -0.42 1.73 1.55 -0.54 0.00 0.00 174.62 176.91 3gxd h PRO 253 N -1.25 0.48 -0.33 3.99 0.13 -1.98 -0.66 132.00 132.38 3gxd h PRO 253 Ca -0.47 -0.03 -0.04 0.00 -0.87 0.00 0.00 66.00 64.59 3gxd h PRO 253 Cb 1.27 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 3gxd h PRO 253 CO 0.56 0.32 0.04 0.93 -0.23 0.00 0.00 178.00 179.63 3gxd h GLU 254 N 0.50 0.54 -0.59 0.86 3.07 -1.94 -1.79 114.58 115.23 3gxd h GLU 254 Ca 0.50 -0.15 -0.05 0.00 -0.50 0.00 0.00 59.36 59.17 3gxd h GLU 254 Cb 0.85 -0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 28.67 3gxd h GLU 254 CO -0.45 0.64 0.19 1.25 -1.40 0.00 0.00 179.01 179.24 3gxd h HIS 255 N 0.37 0.94 -0.40 4.33 2.76 -1.73 -2.40 115.15 119.03 3gxd h HIS 255 Ca 0.10 -0.09 -0.01 0.00 -2.20 0.00 0.00 60.37 58.17 3gxd h HIS 255 Cb 0.36 -0.27 -0.02 0.00 1.55 0.00 0.00 27.41 29.03 3gxd h HIS 255 CO 0.03 0.78 0.23 0.37 -1.30 0.00 0.00 177.93 178.03 3gxd h GLN 256 N 0.83 0.55 -0.84 5.26 4.15 -0.89 0.16 115.11 124.33 3gxd h GLN 256 Ca 0.19 -0.06 0.19 0.00 0.77 0.00 0.00 58.65 59.74 3gxd h GLN 256 Cb 0.28 -0.11 -0.12 0.00 0.21 0.00 0.00 27.48 27.74 3gxd h GLN 256 CO -0.01 0.43 0.33 -0.09 -1.93 0.00 0.00 178.83 177.56 3gxd h ARG 257 N 0.52 0.37 0.00 1.69 2.43 -1.23 0.26 114.38 118.42 3gxd h ARG 257 Ca 0.14 -0.02 -0.23 0.00 -0.81 0.00 0.00 59.98 59.06 3gxd h ARG 257 Cb 0.04 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.47 3gxd h ARG 257 CO -0.02 0.25 -1.25 -0.44 -1.51 0.00 0.00 179.97 176.99 3gxd h ASP 258 N 0.38 0.00 -0.56 -3.80 3.32 -0.74 -1.98 116.42 113.04 3gxd h ASP 258 Ca 0.50 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.49 3gxd h ASP 258 Cb 0.90 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.42 3gxd h ASP 258 CO -0.51 0.93 0.12 0.15 -1.72 0.00 0.00 179.24 178.22 3gxd h PHE 259 N 0.00 0.99 -0.12 4.55 3.57 -0.26 0.12 116.94 125.79 3gxd h PHE 259 Ca -0.12 -0.11 -0.04 0.00 3.53 0.00 0.00 57.97 61.22 3gxd h PHE 259 Cb 1.82 -0.28 -0.00 0.00 2.79 0.00 0.00 35.95 40.27 3gxd h PHE 259 CO 0.00 0.83 -0.10 0.82 -2.23 0.00 0.00 178.31 177.63 3gxd h ILE 260 N 0.90 1.34 0.92 1.41 2.04 -0.46 0.53 117.51 124.20 3gxd h ILE 260 Ca 0.19 -1.22 -0.05 0.00 1.00 0.00 0.00 64.86 64.78 3gxd h ILE 260 Cb 0.36 1.89 0.01 0.00 -0.74 0.00 0.00 36.82 38.34 3gxd h ILE 260 CO 0.00 0.35 -0.44 0.00 0.00 0.00 0.00 178.15 178.06 3gxd h ALA 261 N 0.61 -1.28 -0.09 1.87 0.00 -1.30 -0.30 119.26 118.77 3gxd h ALA 261 Ca 0.02 -0.27 -0.20 0.00 0.00 0.00 0.00 54.91 54.46 3gxd h ALA 261 Cb 0.60 0.48 0.01 0.00 0.00 0.00 0.00 17.79 18.88 3gxd h ALA 261 CO 0.03 -1.19 -0.73 0.00 0.00 0.00 0.00 179.25 177.35 3gxd h ARG 262 N -1.28 0.65 0.00 0.00 2.47 -0.88 -3.40 114.38 111.93 3gxd h ARG 262 Ca -0.13 -0.58 0.00 0.00 -1.26 0.00 0.00 59.98 58.01 3gxd h ARG 262 Cb 0.95 0.14 0.00 0.00 -1.65 0.00 0.00 29.97 29.40 3gxd h ARG 262 CO 0.21 1.19 -0.22 -0.25 0.56 0.00 0.00 179.97 181.46 3gxd n ASP 263 N -4.05 1.17 0.10 7.04 8.00 -0.37 -4.71 116.55 123.73 3gxd n ASP 263 Ca -0.09 0.17 -0.13 0.00 0.71 0.00 0.00 54.79 55.45 3gxd n ASP 263 Cb 0.72 -0.40 -0.08 0.00 -0.02 0.00 0.00 41.12 41.34 3gxd n ASP 263 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3gxd h LEU 264 N -0.22 -0.23 0.11 0.64 5.85 -0.04 -2.35 115.31 119.07 3gxd h LEU 264 Ca 0.00 -0.27 0.01 0.00 0.84 0.00 0.00 57.88 58.46 3gxd h LEU 264 Cb 0.22 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 3gxd h LEU 264 CO 0.00 0.19 -0.40 1.23 -0.34 0.00 0.00 178.44 179.12 3gxd h GLY 265 N -0.70 -1.18 0.10 3.75 0.00 -1.25 -1.57 103.07 102.22 3gxd h GLY 265 Ca -0.03 0.61 0.14 0.00 0.00 0.00 0.00 47.33 48.05 3gxd h GLY 265 CO 0.05 -0.32 0.21 -2.55 0.00 0.00 0.00 176.54 173.93 3gxd h PRO 266 N -0.58 0.33 -0.09 4.80 0.11 -1.74 -0.47 132.00 134.36 3gxd h PRO 266 Ca -0.01 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.08 3gxd h PRO 266 Cb 0.57 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.60 3gxd h PRO 266 CO -0.20 0.22 0.06 1.15 -0.21 0.00 0.00 178.00 179.01 3gxd h THR 267 N 0.34 1.05 -0.24 -1.15 2.02 -1.33 0.11 112.91 113.70 3gxd h THR 267 Ca 0.38 -0.13 -0.01 0.00 0.77 0.00 0.00 66.41 67.42 3gxd h THR 267 Cb 0.60 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 67.97 3gxd h THR 267 CO -0.43 0.05 0.10 -0.07 0.37 0.00 0.00 175.52 175.53 3gxd h LEU 268 N 0.09 0.33 -0.89 2.58 3.38 -0.84 -2.89 115.31 117.07 3gxd h LEU 268 Ca 0.03 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 57.87 3gxd h LEU 268 Cb 0.03 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.64 3gxd h LEU 268 CO -0.01 0.40 0.57 0.00 0.09 0.00 0.00 178.44 179.50 3gxd h ALA 269 N 0.94 1.17 0.00 1.53 0.00 -1.00 0.07 119.26 121.97 3gxd h ALA 269 Ca 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3gxd h ALA 269 Cb 0.18 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3gxd h ALA 269 CO -0.01 0.43 0.00 -1.71 0.00 0.00 0.00 179.25 177.96 3gxd n ASN 270 N -4.53 0.00 -4.75 0.00 5.15 0.36 -4.65 115.26 106.84 3gxd n ASN 270 Ca 0.11 -1.10 -0.27 0.00 -0.60 0.00 0.00 54.58 52.72 3gxd n ASN 270 Cb 0.09 0.00 -0.07 0.00 -0.53 0.00 0.00 39.78 39.27 3gxd n ASN 270 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 3gxd s SER 271 N -1.62 4.32 0.00 1.20 1.04 0.01 -5.01 113.70 113.65 3gxd s SER 271 Ca 0.16 -1.26 0.25 0.00 0.48 0.00 0.00 55.95 55.58 3gxd s SER 271 Cb 0.07 -0.13 1.42 0.00 0.10 0.00 0.00 66.02 67.49 3gxd s SER 271 CO 0.12 -0.68 1.93 0.35 0.98 0.00 0.00 173.24 175.94 3gxd n THR 272 N -1.29 0.02 -1.16 2.02 -2.24 -1.26 -2.81 114.28 107.56 3gxd n THR 272 Ca -0.05 -0.05 -0.03 0.00 -2.27 0.00 0.00 64.05 61.65 3gxd n THR 272 Cb 0.65 -0.26 0.25 0.00 -2.10 0.00 0.00 70.33 68.87 3gxd n THR 272 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3gxd n HIS 273 N -0.71 1.70 0.30 4.78 8.25 -1.26 -4.71 115.22 123.57 3gxd n HIS 273 Ca 0.19 -1.27 0.18 0.00 -0.26 0.00 0.00 57.72 56.56 3gxd n HIS 273 Cb 0.13 -0.55 0.97 0.00 1.12 0.00 0.00 29.99 31.66 3gxd n HIS 273 CO 0.00 0.00 0.00 1.12 0.64 0.00 0.00 176.34 178.10 3gxd h HIS 274 N 1.83 0.00 -0.14 4.41 -0.00 -1.52 -0.67 115.15 119.06 3gxd h HIS 274 Ca 0.21 0.00 -0.09 0.00 -0.00 0.00 0.00 60.37 60.49 3gxd h HIS 274 Cb 1.95 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 29.34 3gxd h HIS 274 CO 1.02 0.03 -0.29 -0.91 -0.00 0.00 0.00 177.93 177.77 3gxd h ASN 275 N 0.00 0.27 -3.01 3.10 2.35 -1.88 -3.45 115.58 112.97 3gxd h ASN 275 Ca -0.00 -0.09 -0.58 0.00 -0.55 0.00 0.00 56.30 55.08 3gxd h ASN 275 Cb 0.16 -0.07 0.11 0.00 0.05 0.00 0.00 38.32 38.57 3gxd h ASN 275 CO 0.00 0.56 0.33 0.52 -1.65 0.00 0.00 177.43 177.20 3gxd n VAL 276 N -4.12 2.09 -4.03 2.81 0.31 -0.26 -5.00 118.33 110.14 3gxd n VAL 276 Ca -0.01 -0.50 -0.22 0.00 -0.01 0.00 0.00 64.34 63.60 3gxd n VAL 276 Cb 0.40 -1.32 -0.03 0.00 -0.91 0.00 0.00 33.84 31.98 3gxd n VAL 276 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3gxd s ARG 277 N -1.81 3.23 -0.16 5.55 1.81 -0.99 -4.94 118.95 121.64 3gxd s ARG 277 Ca 0.58 -0.86 -0.01 0.00 -1.72 0.00 0.00 55.73 53.73 3gxd s ARG 277 Cb -0.61 -2.77 -0.01 0.00 -0.45 0.00 0.00 34.95 31.12 3gxd s ARG 277 CO 0.61 0.43 -0.13 -1.17 -0.68 0.00 0.00 175.30 174.36 3gxd s LEU 278 N -3.82 2.61 -0.11 2.53 2.96 -1.26 -0.98 118.68 120.60 3gxd s LEU 278 Ca 0.33 -0.42 -0.05 0.00 -0.22 0.00 0.00 54.13 53.78 3gxd s LEU 278 Cb -0.09 -1.60 -0.04 0.00 0.50 0.00 0.00 46.19 44.96 3gxd s LEU 278 CO 0.27 0.09 0.07 -0.76 -1.32 0.00 0.00 176.35 174.70 3gxd s LEU 279 N 0.82 3.95 0.56 -0.68 1.43 -0.53 -1.80 118.68 122.42 3gxd s LEU 279 Ca -0.04 0.28 0.08 0.00 -1.03 0.00 0.00 54.13 53.42 3gxd s LEU 279 Cb -0.15 -1.94 0.08 0.00 0.03 0.00 0.00 46.19 44.21 3gxd s LEU 279 CO 0.00 0.37 0.77 0.00 0.23 0.00 0.00 176.35 177.73 3gxd s MET 280 N -0.83 2.34 2.76 1.70 0.23 -0.33 -1.70 119.30 123.48 3gxd s MET 280 Ca 0.13 -1.51 0.00 0.00 -1.03 0.00 0.00 55.69 53.28 3gxd s MET 280 Cb -0.12 -2.63 0.00 0.00 -1.53 0.00 0.00 34.83 30.55 3gxd s MET 280 CO 0.03 -0.81 0.00 -0.11 -2.03 0.00 0.00 175.02 172.09 3gxd n LEU 281 N -2.24 0.00 -3.16 0.18 7.94 -1.26 -0.80 117.00 117.66 3gxd n LEU 281 Ca 0.14 0.00 -0.15 0.00 -1.11 0.00 0.00 56.01 54.89 3gxd n LEU 281 Cb 0.61 0.00 0.08 0.00 0.53 0.00 0.00 43.42 44.64 3gxd n LEU 281 CO 0.40 0.00 0.08 -0.67 -1.11 0.00 0.00 177.39 176.09 3gxd n ASP 282 N 5.28 -3.38 -2.02 1.96 2.03 -0.23 -4.51 116.55 115.68 3gxd n ASP 282 Ca 0.00 -0.59 -0.06 0.00 0.52 0.00 0.00 54.79 54.66 3gxd n ASP 282 Cb 0.00 -4.71 -0.00 0.00 -0.72 0.00 0.00 41.12 35.69 3gxd n ASP 282 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 3gxd n ASP 283 N -2.97 -0.96 -4.73 1.67 -0.08 -1.12 -1.52 116.55 106.84 3gxd n ASP 283 Ca -0.20 -1.95 -0.42 0.00 -1.51 0.00 0.00 54.79 50.71 3gxd n ASP 283 Cb 0.64 1.68 -0.01 0.00 2.34 0.00 0.00 41.12 45.77 3gxd n ASP 283 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3gxd n GLN 284 N -0.30 2.46 0.30 -0.67 1.13 -1.26 -0.39 117.38 118.65 3gxd n GLN 284 Ca -0.02 0.87 0.20 0.00 -1.94 0.00 0.00 57.00 56.11 3gxd n GLN 284 Cb 0.32 -2.58 0.93 0.00 0.11 0.00 0.00 30.24 29.02 3gxd n GLN 284 CO 0.00 0.00 0.00 0.07 -1.44 0.00 0.00 177.06 175.69 3gxd h ARG 285 N 3.92 0.00 -0.28 -1.09 0.11 -1.94 -1.61 114.38 113.48 3gxd h ARG 285 Ca -0.47 0.00 0.08 0.00 0.10 0.00 0.00 59.98 59.69 3gxd h ARG 285 Cb 1.25 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.32 3gxd h ARG 285 CO 0.73 0.01 0.28 1.37 0.10 0.00 0.00 179.97 182.45 3gxd h LEU 286 N 0.00 0.00 0.00 0.08 -0.00 -1.92 -0.42 115.31 113.06 3gxd h LEU 286 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 3gxd h LEU 286 Cb 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.93 3gxd h LEU 286 CO 0.00 0.00 0.00 0.18 -0.00 0.00 0.00 178.44 178.62 3gxd n LEU 287 N -3.89 0.00 -4.81 0.17 4.77 -0.61 -4.69 117.00 107.94 3gxd n LEU 287 Ca 0.04 0.30 -0.29 0.00 -0.03 0.00 0.00 56.01 56.03 3gxd n LEU 287 Cb 0.43 -0.30 -0.06 0.00 -2.33 0.00 0.00 43.42 41.17 3gxd n LEU 287 CO 0.29 -0.18 -0.23 -0.76 -1.33 0.00 0.00 177.39 175.18 3gxd s LEU 288 N -2.59 3.91 0.20 2.23 1.43 -0.17 -1.91 118.68 121.77 3gxd s LEU 288 Ca 0.11 0.00 0.00 0.00 -1.03 0.00 0.00 54.13 53.21 3gxd s LEU 288 Cb 0.08 -2.55 0.14 0.00 0.03 0.00 0.00 46.19 43.89 3gxd s LEU 288 CO 0.18 0.13 1.50 -0.65 0.23 0.00 0.00 176.35 177.74 3gxd h PRO 289 N 2.93 0.39 -0.32 1.29 0.11 -1.78 -3.42 132.00 131.20 3gxd h PRO 289 Ca -0.47 -0.28 0.03 0.00 0.11 0.00 0.00 66.00 65.39 3gxd h PRO 289 Cb 1.18 0.05 -0.04 0.00 0.11 0.00 0.00 31.00 32.29 3gxd h PRO 289 CO 0.66 0.90 -0.19 1.58 -0.21 0.00 0.00 178.00 180.74 3gxd n HIS 290 N -3.89 -0.14 -0.33 0.65 -0.00 -1.25 -1.23 115.22 109.04 3gxd n HIS 290 Ca -0.03 0.40 0.08 0.00 0.46 0.00 0.00 57.72 58.63 3gxd n HIS 290 Cb 0.65 -0.43 0.25 0.00 -0.12 0.00 0.00 29.99 30.33 3gxd n HIS 290 CO 0.00 0.00 0.00 -1.49 0.46 0.00 0.00 176.34 175.31 3gxd h TRP 291 N 0.00 0.96 -0.82 1.57 4.06 -1.75 0.49 115.95 120.46 3gxd h TRP 291 Ca 0.05 0.03 -0.04 0.00 2.06 0.00 0.00 58.89 61.00 3gxd h TRP 291 Cb 0.13 -0.29 -0.04 0.00 -1.00 0.00 0.00 29.16 27.97 3gxd h TRP 291 CO -0.54 0.29 0.37 0.00 -3.56 0.00 0.00 178.44 175.00 3gxd h ALA 292 N 1.57 1.06 0.23 1.49 0.00 -1.44 -1.69 119.26 120.48 3gxd h ALA 292 Ca 0.50 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 3gxd h ALA 292 Cb 0.65 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3gxd h ALA 292 CO -0.33 0.65 -0.16 0.87 0.00 0.00 0.00 179.25 180.28 3gxd h LYS 293 N 1.18 -0.37 -0.04 0.00 1.57 0.70 0.26 116.57 119.86 3gxd h LYS 293 Ca 0.28 0.03 0.03 0.00 -1.87 0.00 0.00 60.65 59.11 3gxd h LYS 293 Cb 0.16 0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.52 3gxd h LYS 293 CO -0.03 -0.25 -0.13 0.28 -0.57 0.00 0.00 179.45 178.75 3gxd h VAL 294 N -0.39 0.67 -0.10 0.50 2.07 -1.12 -2.61 116.25 115.28 3gxd h VAL 294 Ca -0.02 0.00 -0.24 0.00 0.82 0.00 0.00 66.70 67.27 3gxd h VAL 294 Cb 0.34 0.67 0.01 0.00 -1.52 0.00 0.00 31.29 30.79 3gxd h VAL 294 CO 0.00 0.00 -0.87 0.58 0.02 0.00 0.00 177.57 177.30 3gxd h VAL 295 N -0.19 1.29 0.00 2.57 2.07 -1.20 -3.37 116.25 117.41 3gxd h VAL 295 Ca 0.06 -2.08 -0.18 0.00 0.82 0.00 0.00 66.70 65.32 3gxd h VAL 295 Cb 0.28 2.13 -0.03 0.00 -1.52 0.00 0.00 31.29 32.14 3gxd h VAL 295 CO -0.16 0.65 -1.49 0.18 0.02 0.00 0.00 177.57 176.77 3gxd n LEU 296 N -3.90 0.79 0.00 2.57 4.77 0.07 -3.46 117.00 117.85 3gxd n LEU 296 Ca -0.08 0.35 0.07 0.00 -0.03 0.00 0.00 56.01 56.31 3gxd n LEU 296 Cb 0.79 0.09 0.41 0.00 -2.33 0.00 0.00 43.42 42.39 3gxd n LEU 296 CO 0.54 0.16 0.63 0.35 -1.33 0.00 0.00 177.39 177.74 3gxd n THR 297 N -2.86 0.03 -3.70 -5.08 -2.24 -0.98 -4.24 114.28 95.20 3gxd n THR 297 Ca -0.11 0.01 -0.38 0.00 -2.27 0.00 0.00 64.05 61.29 3gxd n THR 297 Cb 0.85 -0.79 -0.11 0.00 -2.10 0.00 0.00 70.33 68.18 3gxd n THR 297 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3gxd s ASP 298 N -2.02 5.42 0.44 3.42 2.15 -1.22 -5.01 116.67 119.85 3gxd s ASP 298 Ca 0.21 -1.49 0.22 0.00 0.43 0.00 0.00 52.55 51.91 3gxd s ASP 298 Cb 0.10 -1.90 1.20 0.00 -0.30 0.00 0.00 42.92 42.01 3gxd s ASP 298 CO 0.16 -0.46 1.82 1.55 -0.17 0.00 0.00 175.17 178.07 3gxd h PRO 299 N 8.26 0.29 -0.69 4.34 0.13 -1.87 0.25 132.00 142.71 3gxd h PRO 299 Ca -0.21 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.88 3gxd h PRO 299 Cb 1.07 -0.07 -0.03 0.00 0.13 0.00 0.00 31.00 32.11 3gxd h PRO 299 CO 0.69 0.19 0.35 0.93 -0.23 0.00 0.00 178.00 179.93 3gxd h GLU 300 N 0.30 0.98 0.22 0.86 4.39 -1.94 -1.10 114.58 118.29 3gxd h GLU 300 Ca 0.53 -0.13 -0.01 0.00 0.34 0.00 0.00 59.36 60.08 3gxd h GLU 300 Cb 1.51 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.97 3gxd h GLU 300 CO -0.18 0.76 -0.10 0.00 -1.16 0.00 0.00 179.01 178.32 3gxd h ALA 301 N 1.17 -0.37 -1.00 3.43 0.00 -1.36 -3.37 119.26 117.76 3gxd h ALA 301 Ca 0.24 -0.06 0.37 0.00 0.00 0.00 0.00 54.91 55.46 3gxd h ALA 301 Cb 0.08 0.11 -0.17 0.00 0.00 0.00 0.00 17.79 17.82 3gxd h ALA 301 CO -0.03 -0.35 0.50 0.00 0.00 0.00 0.00 179.25 179.37 3gxd h ALA 302 N -1.36 2.00 -0.11 0.00 0.00 -0.63 -0.37 119.26 118.79 3gxd h ALA 302 Ca -0.03 0.25 0.03 0.00 0.00 0.00 0.00 54.91 55.16 3gxd h ALA 302 Cb 0.22 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 3gxd h ALA 302 CO 0.05 -0.79 0.10 1.57 0.00 0.00 0.00 179.25 180.18 3gxd h LYS 303 N 0.11 0.00 -0.01 0.00 2.10 -1.35 -1.91 116.57 115.51 3gxd h LYS 303 Ca 0.78 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.43 3gxd h LYS 303 Cb 1.95 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.28 3gxd h LYS 303 CO -0.72 0.00 -0.44 0.66 -2.00 0.00 0.00 179.45 176.95 3gxd n TYR 304 N -4.12 0.00 -3.45 0.07 4.02 -0.15 -4.92 117.16 108.60 3gxd n TYR 304 Ca -0.00 0.00 -0.39 0.00 -0.01 0.00 0.00 57.90 57.50 3gxd n TYR 304 Cb 0.21 -0.03 -0.09 0.00 -0.02 0.00 0.00 39.34 39.41 3gxd n TYR 304 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3gxd s VAL 305 N -2.49 5.22 -0.03 -0.72 1.01 -0.72 -4.29 120.40 118.38 3gxd s VAL 305 Ca 0.20 0.46 0.12 0.00 0.00 0.00 0.00 61.98 62.76 3gxd s VAL 305 Cb 0.18 -3.65 -0.23 0.00 0.00 0.00 0.00 36.38 32.69 3gxd s VAL 305 CO 0.57 0.19 0.73 -0.74 0.00 0.00 0.00 175.10 175.85 3gxd h HIS 306 N 8.17 0.00 -3.18 5.22 2.76 -1.65 -3.48 115.15 122.98 3gxd h HIS 306 Ca -0.33 0.00 0.01 0.00 -2.20 0.00 0.00 60.37 57.85 3gxd h HIS 306 Cb 1.17 0.00 -0.08 0.00 1.55 0.00 0.00 27.41 30.04 3gxd h HIS 306 CO 0.75 0.99 0.12 0.20 -1.30 0.00 0.00 177.93 178.69 3gxd s GLY 307 N -5.06 -0.12 -0.16 5.26 0.00 -1.20 -3.38 107.32 102.67 3gxd s GLY 307 Ca -0.04 -0.20 0.01 0.00 0.00 0.00 0.00 44.72 44.49 3gxd s GLY 307 CO 0.82 -0.17 -0.20 -0.42 0.00 0.00 0.00 173.10 173.14 3gxd s ILE 308 N -3.88 1.98 -0.04 0.90 1.01 0.13 -1.18 121.20 120.12 3gxd s ILE 308 Ca 0.10 -0.90 -0.14 0.00 0.00 0.00 0.00 60.65 59.71 3gxd s ILE 308 Cb -0.03 -1.78 -0.05 0.00 0.01 0.00 0.00 42.46 40.61 3gxd s ILE 308 CO 0.00 0.53 0.39 0.00 0.00 0.00 0.00 174.94 175.86 3gxd s ALA 309 N 1.20 3.68 0.13 9.38 0.00 0.02 -1.62 121.76 134.54 3gxd s ALA 309 Ca 0.02 -0.27 0.08 0.00 0.00 0.00 0.00 51.96 51.79 3gxd s ALA 309 Cb -0.14 -2.38 -0.04 0.00 0.00 0.00 0.00 23.12 20.56 3gxd s ALA 309 CO -0.10 0.40 -0.18 0.14 0.00 0.00 0.00 175.76 176.02 3gxd s VAL 310 N -0.75 1.63 0.10 0.00 -7.23 0.76 -1.07 120.40 113.85 3gxd s VAL 310 Ca 0.23 -1.70 0.04 0.00 -1.81 0.00 0.00 61.98 58.75 3gxd s VAL 310 Cb -0.16 -1.62 -0.04 0.00 0.56 0.00 0.00 36.38 35.12 3gxd s VAL 310 CO 0.11 -0.24 0.03 -1.00 -0.31 0.00 0.00 175.10 173.70 3gxd s HIS 311 N -1.69 3.05 -0.22 2.82 3.76 0.47 0.26 115.29 123.75 3gxd s HIS 311 Ca 0.10 -0.00 -0.01 0.00 -0.15 0.00 0.00 55.06 55.00 3gxd s HIS 311 Cb -0.07 -1.55 -0.20 0.00 1.11 0.00 0.00 32.58 31.87 3gxd s HIS 311 CO 0.05 0.50 -0.05 0.91 -0.85 0.00 0.00 174.74 175.30 3gxd n TRP 312 N 0.41 0.38 0.00 1.40 7.02 -0.15 -3.64 117.44 122.86 3gxd n TRP 312 Ca -0.10 0.08 0.00 0.00 -1.02 0.00 0.00 57.50 56.46 3gxd n TRP 312 Cb 0.52 -1.05 0.00 0.00 -2.42 0.00 0.00 31.31 28.36 3gxd n TRP 312 CO 0.00 0.00 0.00 0.98 -2.02 0.00 0.00 177.69 176.65 3gxd n TYR 313 N -3.32 0.00 0.00 -5.99 9.36 -1.15 -3.44 117.16 112.61 3gxd n TYR 313 Ca -0.42 0.00 0.00 0.00 3.32 0.00 0.00 57.90 60.80 3gxd n TYR 313 Cb 1.01 -0.11 0.00 0.00 -0.63 0.00 0.00 39.34 39.61 3gxd n TYR 313 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 3gxd n LEU 314 N -1.84 0.00 0.00 2.98 4.77 -1.26 -4.79 117.00 116.86 3gxd n LEU 314 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3gxd n LEU 314 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3gxd n LEU 314 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.39 176.53 3gxd n ASP 315 N 0.00 0.00 0.33 -1.43 9.92 -1.22 -4.51 116.55 119.64 3gxd n ASP 315 Ca 0.00 0.00 0.21 0.00 -0.53 0.00 0.00 54.79 54.47 3gxd n ASP 315 Cb 0.00 0.00 1.15 0.00 -0.64 0.00 0.00 41.12 41.63 3gxd n ASP 315 CO 0.00 0.00 0.00 2.19 0.13 0.00 0.00 177.20 179.52 3gxd h PHE 316 N 0.00 0.00 -0.02 1.24 -0.00 -1.86 -1.18 116.94 115.12 3gxd h PHE 316 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.97 3gxd h PHE 316 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 35.95 3gxd h PHE 316 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 178.31 179.59 3gxd n LEU 317 N -3.02 0.24 0.00 2.10 4.77 -1.26 -4.87 117.00 114.95 3gxd n LEU 317 Ca -0.03 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 3gxd n LEU 317 Cb 0.11 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 3gxd n LEU 317 CO 0.19 0.05 0.00 0.00 -1.33 0.00 0.00 177.39 176.29 3gxd n ALA 318 N -0.70 0.00 -2.20 -1.18 0.00 -0.45 -4.98 120.51 111.01 3gxd n ALA 318 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.61 3gxd n ALA 318 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.57 3gxd n ALA 318 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3gxd n PRO 319 N 0.00 3.29 -0.22 0.00 -0.04 -1.26 -5.01 135.00 131.76 3gxd n PRO 319 Ca 0.00 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.38 3gxd n PRO 319 Cb 0.00 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 33.49 3gxd n PRO 319 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3gxd h ALA 320 N -0.60 0.82 0.11 0.55 0.00 -1.97 -3.22 119.26 114.95 3gxd h ALA 320 Ca 0.00 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.66 3gxd h ALA 320 Cb 0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3gxd h ALA 320 CO 0.00 0.56 -0.12 -0.22 0.00 0.00 0.00 179.25 179.46 3gxd h LYS 321 N 0.92 -0.26 0.00 0.00 3.64 -1.97 -0.50 116.57 118.40 3gxd h LYS 321 Ca 0.19 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.58 3gxd h LYS 321 Cb 0.40 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.28 3gxd h LYS 321 CO 0.01 -0.17 -0.01 0.00 -2.27 0.00 0.00 179.45 177.00 3gxd h ALA 322 N 0.60 1.36 -1.44 5.00 0.00 -1.95 -0.96 119.26 121.86 3gxd h ALA 322 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3gxd h ALA 322 Cb 0.26 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3gxd h ALA 322 CO -0.04 0.02 0.00 0.25 0.00 0.00 0.00 179.25 179.47 3gxd n THR 323 N -3.62 0.00 -0.34 0.00 -2.24 -0.64 -4.28 114.28 103.16 3gxd n THR 323 Ca -0.03 0.13 -0.02 0.00 -2.27 0.00 0.00 64.05 61.86 3gxd n THR 323 Cb 0.10 -1.01 0.12 0.00 -2.10 0.00 0.00 70.33 67.45 3gxd n THR 323 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3gxd h LEU 324 N 0.00 1.10 0.86 3.22 3.38 -1.47 -1.85 115.31 120.54 3gxd h LEU 324 Ca 0.00 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 3gxd h LEU 324 Cb 0.00 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 40.48 3gxd h LEU 324 CO 0.00 0.83 -0.41 1.23 0.09 0.00 0.00 178.44 180.18 3gxd h GLY 325 N 1.29 -1.20 1.64 0.83 0.00 -0.84 -1.84 103.07 102.94 3gxd h GLY 325 Ca 0.34 0.45 -0.01 0.00 0.00 0.00 0.00 47.33 48.11 3gxd h GLY 325 CO -0.07 -0.44 0.19 -2.09 0.00 0.00 0.00 176.54 174.14 3gxd h GLU 326 N -1.25 0.48 -0.22 4.80 4.57 -1.23 -2.40 114.58 119.32 3gxd h GLU 326 Ca -0.12 -0.04 -0.19 0.00 -1.18 0.00 0.00 59.36 57.83 3gxd h GLU 326 Cb 0.89 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.38 3gxd h GLU 326 CO 0.19 0.36 -0.62 1.15 -1.18 0.00 0.00 179.01 178.91 3gxd h THR 327 N 0.48 1.29 0.52 0.32 2.02 -1.12 -1.95 112.91 114.47 3gxd h THR 327 Ca 0.13 -1.83 -0.01 0.00 0.77 0.00 0.00 66.41 65.46 3gxd h THR 327 Cb 0.02 1.77 -0.02 0.00 -1.74 0.00 0.00 68.15 68.18 3gxd h THR 327 CO -0.02 0.58 -0.45 -0.74 0.37 0.00 0.00 175.52 175.26 3gxd h HIS 328 N 0.56 -1.23 -0.88 3.16 -0.00 -1.03 -0.14 115.15 115.59 3gxd h HIS 328 Ca -0.01 0.00 0.15 0.00 -0.00 0.00 0.00 60.37 60.52 3gxd h HIS 328 Cb 1.21 0.47 -0.15 0.00 -0.00 0.00 0.00 27.41 28.94 3gxd h HIS 328 CO 0.07 -0.63 -0.34 -0.09 -0.00 0.00 0.00 177.93 176.94 3gxd h ARG 329 N -0.96 -0.04 -0.14 5.26 2.43 -1.31 0.52 114.38 120.13 3gxd h ARG 329 Ca -0.06 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 58.97 3gxd h ARG 329 Cb 0.82 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.37 3gxd h ARG 329 CO -0.02 -0.03 -0.53 -0.07 -1.51 0.00 0.00 179.97 177.81 3gxd h LEU 330 N -0.04 0.45 -6.41 3.80 3.38 -1.27 -3.37 115.31 111.84 3gxd h LEU 330 Ca 0.34 -0.23 -0.59 0.00 0.09 0.00 0.00 57.88 57.48 3gxd h LEU 330 Cb 0.60 -0.13 -0.39 0.00 0.09 0.00 0.00 40.66 40.84 3gxd h LEU 330 CO -0.90 0.89 -0.94 0.49 0.09 0.00 0.00 178.44 178.07 3gxd n PHE 331 N -3.95 -0.42 1.52 1.13 3.01 -0.07 -4.97 117.46 113.71 3gxd n PHE 331 Ca -0.02 -3.43 0.15 0.00 1.01 0.00 0.00 57.45 55.15 3gxd n PHE 331 Cb 0.58 0.13 0.78 0.00 -0.01 0.00 0.00 39.48 40.95 3gxd n PHE 331 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 3gxd n PRO 332 N 2.64 0.56 -0.46 -1.08 -0.02 0.04 -2.89 135.00 133.78 3gxd n PRO 332 Ca 0.28 -0.03 0.08 0.00 -2.02 0.00 0.00 63.50 61.81 3gxd n PRO 332 Cb 0.47 -1.50 0.27 0.00 -0.02 0.00 0.00 33.50 32.72 3gxd n PRO 332 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3gxd n ASN 333 N -1.20 4.04 -4.24 2.55 3.02 -1.26 -4.86 115.26 113.30 3gxd n ASN 333 Ca 0.16 -2.56 -0.35 0.00 -0.03 0.00 0.00 54.58 51.80 3gxd n ASN 333 Cb 0.22 -0.48 -0.14 0.00 -0.61 0.00 0.00 39.78 38.77 3gxd n ASN 333 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3gxd s THR 334 N -2.02 3.04 0.57 3.41 2.01 -1.14 -4.99 115.64 116.51 3gxd s THR 334 Ca 0.41 -0.76 -0.17 0.00 0.31 0.00 0.00 61.69 61.48 3gxd s THR 334 Cb 0.28 -2.44 -0.05 0.00 0.01 0.00 0.00 72.50 70.30 3gxd s THR 334 CO 0.16 0.34 1.05 0.00 -0.69 0.00 0.00 174.62 175.48 3gxd s MET 335 N 1.40 3.44 -0.07 4.92 0.23 -1.22 -4.81 119.30 123.18 3gxd s MET 335 Ca 0.03 1.24 0.03 0.00 -1.03 0.00 0.00 55.69 55.97 3gxd s MET 335 Cb -0.15 -2.05 -0.02 0.00 -1.53 0.00 0.00 34.83 31.08 3gxd s MET 335 CO -0.05 -0.72 -0.18 -0.51 -2.03 0.00 0.00 175.02 171.53 3gxd s LEU 336 N -4.26 2.48 -0.06 0.18 1.43 -1.26 -0.69 118.68 116.50 3gxd s LEU 336 Ca 0.64 -0.35 -0.02 0.00 -1.03 0.00 0.00 54.13 53.37 3gxd s LEU 336 Cb -0.16 -1.50 0.04 0.00 0.03 0.00 0.00 46.19 44.59 3gxd s LEU 336 CO 0.33 0.26 0.13 0.12 0.23 0.00 0.00 176.35 177.42 3gxd s PHE 337 N -0.22 -0.13 -0.59 0.29 5.36 -0.64 0.02 117.98 122.07 3gxd s PHE 337 Ca -0.00 0.42 -0.25 0.00 -0.96 0.00 0.00 56.93 56.14 3gxd s PHE 337 Cb -0.13 -0.10 0.04 0.00 -0.34 0.00 0.00 43.02 42.49 3gxd s PHE 337 CO 0.03 -0.15 1.01 0.00 -1.46 0.00 0.00 175.22 174.65 3gxd s ALA 338 N 1.10 3.09 -0.54 11.12 0.00 0.09 -0.17 121.76 136.46 3gxd s ALA 338 Ca -0.09 -1.31 0.24 0.00 0.00 0.00 0.00 51.96 50.80 3gxd s ALA 338 Cb -0.11 -3.84 0.36 0.00 0.00 0.00 0.00 23.12 19.52 3gxd s ALA 338 CO -0.05 -2.57 1.40 0.66 0.00 0.00 0.00 175.76 175.19 3gxd h SER 339 N 9.45 0.00 -1.84 0.00 4.64 -0.45 0.30 113.55 125.65 3gxd h SER 339 Ca -0.27 -0.09 -0.29 0.00 -0.47 0.00 0.00 61.79 60.68 3gxd h SER 339 Cb 1.07 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 62.86 3gxd h SER 339 CO 1.13 0.04 -0.62 -0.70 -0.87 0.00 0.00 176.83 175.82 3gxd s GLU 340 N -3.20 0.53 -0.53 4.77 2.12 -1.11 -4.52 118.70 116.75 3gxd s GLU 340 Ca 0.06 -0.40 -0.11 0.00 0.36 0.00 0.00 54.97 54.88 3gxd s GLU 340 Cb 0.11 -0.53 0.13 0.00 0.26 0.00 0.00 34.13 34.10 3gxd s GLU 340 CO 0.70 -1.12 0.43 0.00 -0.54 0.00 0.00 175.26 174.73 3gxd s ALA 341 N 1.95 3.53 -0.10 6.30 0.00 0.82 -0.97 121.76 133.30 3gxd s ALA 341 Ca 0.13 -2.66 -0.30 0.00 0.00 0.00 0.00 51.96 49.13 3gxd s ALA 341 Cb -0.13 -2.98 0.08 0.00 0.00 0.00 0.00 23.12 20.09 3gxd s ALA 341 CO -0.17 -1.98 0.74 0.00 0.00 0.00 0.00 175.76 174.35 3gxd s VAL 343 N -0.97 -0.72 -2.31 0.00 -7.23 -1.26 -2.95 120.40 104.97 3gxd s VAL 343 Ca -0.08 0.00 0.22 0.00 -1.81 0.00 0.00 61.98 60.31 3gxd s VAL 343 Cb -0.01 -1.00 0.47 0.00 0.56 0.00 0.00 36.38 36.40 3gxd s VAL 343 CO 0.07 0.00 1.45 0.61 -0.31 0.00 0.00 175.10 176.92 3gxd n GLY 344 N 5.43 1.53 7.00 2.32 0.00 -1.26 -4.56 105.19 115.66 3gxd n GLY 344 Ca -0.04 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.31 3gxd n GLY 344 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3gxd n SER 345 N 1.24 -0.76 0.00 1.61 7.64 -1.24 -4.61 113.62 117.51 3gxd n SER 345 Ca 0.19 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.07 3gxd n SER 345 Cb 0.54 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 3gxd n SER 345 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3gxd n LYS 346 N -0.03 0.00 0.14 1.43 5.02 -1.26 -4.69 118.16 118.77 3gxd n LYS 346 Ca 0.00 0.00 0.19 0.00 -2.02 0.00 0.00 58.31 56.48 3gxd n LYS 346 Cb 0.00 0.00 0.73 0.00 -0.02 0.00 0.00 35.03 35.74 3gxd n LYS 346 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 3gxd h PHE 347 N 0.00 0.00 -0.46 2.13 -5.15 -2.00 0.13 116.94 111.59 3gxd h PHE 347 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 3gxd h PHE 347 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.17 3gxd h PHE 347 CO 0.00 0.00 0.00 -2.67 -2.00 0.00 0.00 178.31 173.64 3gxd n TRP 348 N -3.46 0.75 -4.45 6.09 4.27 -1.26 -4.91 117.44 114.47 3gxd n TRP 348 Ca 0.06 -0.34 -0.30 0.00 -3.89 0.00 0.00 57.50 53.03 3gxd n TRP 348 Cb 0.61 -0.06 -0.12 0.00 -1.36 0.00 0.00 31.31 30.38 3gxd n TRP 348 CO 0.00 0.00 0.00 -1.21 -2.29 0.00 0.00 177.69 174.19 3gxd s GLU 349 N -1.48 1.80 0.68 -2.67 2.02 0.44 -5.11 118.70 114.38 3gxd s GLU 349 Ca 0.32 -1.15 -0.17 0.00 0.02 0.00 0.00 54.97 54.00 3gxd s GLU 349 Cb 0.18 -2.09 -0.02 0.00 0.10 0.00 0.00 34.13 32.29 3gxd s GLU 349 CO 0.20 0.49 0.85 1.04 0.02 0.00 0.00 175.26 177.86 3gxd n GLN 350 N 1.07 0.58 0.06 1.61 6.02 -1.26 -4.94 117.38 120.51 3gxd n GLN 350 Ca -0.16 0.24 -0.14 0.00 -0.01 0.00 0.00 57.00 56.94 3gxd n GLN 350 Cb 0.53 -2.09 -0.07 0.00 1.02 0.00 0.00 30.24 29.62 3gxd n GLN 350 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 3gxd h SER 351 N -0.03 -1.32 -3.45 1.08 0.02 -1.85 -3.40 113.55 104.58 3gxd h SER 351 Ca -0.47 0.16 -0.61 0.00 -0.84 0.00 0.00 61.79 60.03 3gxd h SER 351 Cb 1.35 0.52 -0.14 0.00 0.14 0.00 0.00 62.40 64.27 3gxd h SER 351 CO 0.47 -0.47 -0.50 -0.69 -1.14 0.00 0.00 176.83 174.50 3gxd s VAL 352 N -5.88 5.36 -0.33 2.27 1.01 -1.26 -3.18 120.40 118.39 3gxd s VAL 352 Ca -0.16 0.18 -0.01 0.00 0.00 0.00 0.00 61.98 61.99 3gxd s VAL 352 Cb 0.08 -3.48 0.07 0.00 0.00 0.00 0.00 36.38 33.05 3gxd s VAL 352 CO 0.63 0.39 0.05 -0.13 0.00 0.00 0.00 175.10 176.04 3gxd s ARG 353 N 0.77 2.24 -0.53 2.72 0.52 -1.26 -5.07 118.95 118.34 3gxd s ARG 353 Ca 0.08 -1.45 -0.27 0.00 -0.52 0.00 0.00 55.73 53.56 3gxd s ARG 353 Cb -0.12 -3.27 -0.03 0.00 0.52 0.00 0.00 34.95 32.05 3gxd s ARG 353 CO 0.02 -0.76 1.91 -0.51 0.02 0.00 0.00 175.30 175.98 3gxd s LEU 354 N 1.19 3.35 0.00 2.53 1.43 -1.26 -3.34 118.68 122.58 3gxd s LEU 354 Ca -0.01 0.65 0.00 0.00 -1.03 0.00 0.00 54.13 53.74 3gxd s LEU 354 Cb -0.20 -2.76 0.00 0.00 0.03 0.00 0.00 46.19 43.26 3gxd s LEU 354 CO -0.02 -2.28 0.00 0.61 0.23 0.00 0.00 176.35 174.88 3gxd n GLY 355 N 5.67 1.72 3.66 -3.19 0.00 -1.26 -4.14 105.19 107.65 3gxd n GLY 355 Ca 0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.82 3gxd n GLY 355 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3gxd s SER 356 N -2.00 7.09 0.10 1.61 0.15 -1.21 -0.74 113.70 118.69 3gxd s SER 356 Ca 0.00 1.37 -0.10 0.00 0.70 0.00 0.00 55.95 57.92 3gxd s SER 356 Cb 0.00 -2.54 -0.18 0.00 -1.71 0.00 0.00 66.02 61.60 3gxd s SER 356 CO 0.00 -0.66 1.24 -0.25 1.20 0.00 0.00 173.24 174.77 3gxd h TRP 357 N 7.45 0.90 -0.84 3.44 2.91 -1.90 -3.18 115.95 124.73 3gxd h TRP 357 Ca -0.20 -0.48 0.21 0.00 1.13 0.00 0.00 58.89 59.55 3gxd h TRP 357 Cb 1.06 -0.11 -0.14 0.00 -0.51 0.00 0.00 29.16 29.46 3gxd h TRP 357 CO 0.75 1.31 0.09 0.22 -1.03 0.00 0.00 178.44 179.79 3gxd h ASP 358 N 0.35 -0.24 1.17 2.65 3.58 -1.99 -0.52 116.42 121.42 3gxd h ASP 358 Ca -0.11 0.21 -0.13 0.00 0.42 0.00 0.00 57.03 57.42 3gxd h ASP 358 Cb 1.64 0.34 -0.02 0.00 1.72 0.00 0.00 39.33 43.01 3gxd h ASP 358 CO 0.19 -0.20 -0.64 0.03 -2.88 0.00 0.00 179.24 175.74 3gxd h ARG 359 N 0.13 0.00 -0.22 0.28 3.08 -1.97 -1.56 114.38 114.12 3gxd h ARG 359 Ca 0.50 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.49 3gxd h ARG 359 Cb 0.95 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.99 3gxd h ARG 359 CO -0.71 0.64 -0.07 0.78 -1.07 0.00 0.00 179.97 179.55 3gxd h GLY 360 N 2.98 0.48 1.39 0.04 0.00 -1.19 -2.32 103.07 104.45 3gxd h GLY 360 Ca -0.01 -0.41 0.05 0.00 0.00 0.00 0.00 47.33 46.97 3gxd h GLY 360 CO 0.08 0.37 0.30 -0.33 0.00 0.00 0.00 176.54 176.96 3gxd h MET 361 N 0.17 0.40 -0.20 4.80 2.86 -1.09 -2.53 114.93 119.33 3gxd h MET 361 Ca 0.05 -0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.62 3gxd h MET 361 Cb 0.54 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.10 3gxd h MET 361 CO 0.03 0.26 -0.08 1.96 1.06 0.00 0.00 176.91 180.14 3gxd h GLN 362 N 0.41 0.42 -0.48 1.72 4.20 -0.75 -1.35 115.11 119.27 3gxd h GLN 362 Ca 0.19 -0.17 0.10 0.00 0.06 0.00 0.00 58.65 58.82 3gxd h GLN 362 Cb 0.23 -0.02 -0.10 0.00 0.30 0.00 0.00 27.48 27.90 3gxd h GLN 362 CO -0.05 0.69 -0.20 1.88 -0.67 0.00 0.00 178.83 180.48 3gxd h TYR 363 N 0.12 -0.49 -0.09 2.96 -1.99 -1.35 -2.68 116.97 113.46 3gxd h TYR 363 Ca 0.05 0.05 -0.19 0.00 2.00 0.00 0.00 58.73 60.64 3gxd h TYR 363 Cb 0.55 0.29 0.01 0.00 2.00 0.00 0.00 36.73 39.58 3gxd h TYR 363 CO 0.06 -0.28 -0.68 0.66 -0.00 0.00 0.00 178.16 177.92 3gxd h SER 364 N -0.09 0.75 -0.91 3.88 4.64 -1.22 -1.45 113.55 119.13 3gxd h SER 364 Ca 0.23 -0.67 0.12 0.00 -0.47 0.00 0.00 61.79 60.99 3gxd h SER 364 Cb 0.45 -0.22 -0.08 0.00 -0.31 0.00 0.00 62.40 62.23 3gxd h SER 364 CO -0.54 1.30 0.54 -0.74 -0.87 0.00 0.00 176.83 176.52 3gxd h HIS 365 N 0.25 0.98 0.00 4.77 -0.00 -1.31 0.12 115.15 119.95 3gxd h HIS 365 Ca -0.06 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.34 3gxd h HIS 365 Cb 1.33 -0.30 0.00 0.00 -0.00 0.00 0.00 27.41 28.44 3gxd h HIS 365 CO 0.11 0.36 -0.36 -1.13 -0.00 0.00 0.00 177.93 176.91 3gxd n SER 366 N -4.71 0.42 0.09 3.26 3.41 -1.01 -0.71 113.62 114.36 3gxd n SER 366 Ca 0.17 0.06 -0.15 0.00 -0.26 0.00 0.00 58.87 58.69 3gxd n SER 366 Cb 0.35 -0.02 -0.09 0.00 -0.26 0.00 0.00 64.21 64.19 3gxd n SER 366 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 3gxd h ILE 367 N 0.00 1.42 0.45 -1.33 2.04 -0.05 -2.34 117.51 117.71 3gxd h ILE 367 Ca 0.00 -2.67 -0.02 0.00 1.00 0.00 0.00 64.86 63.17 3gxd h ILE 367 Cb 0.56 2.64 0.00 0.00 -0.74 0.00 0.00 36.82 39.29 3gxd h ILE 367 CO 0.00 0.79 -0.22 0.40 0.00 0.00 0.00 178.15 179.13 3gxd h ILE 368 N 0.18 0.55 -0.98 -0.67 2.04 -0.50 -1.00 117.51 117.13 3gxd h ILE 368 Ca -0.11 -0.19 0.17 0.00 1.00 0.00 0.00 64.86 65.72 3gxd h ILE 368 Cb 1.76 0.64 -0.09 0.00 -0.74 0.00 0.00 36.82 38.39 3gxd h ILE 368 CO 0.19 0.04 0.61 0.74 0.00 0.00 0.00 178.15 179.73 3gxd h THR 369 N -0.72 0.78 -0.15 -0.27 2.02 -1.01 -1.46 112.91 112.10 3gxd h THR 369 Ca -0.06 -0.27 -0.12 0.00 0.77 0.00 0.00 66.41 66.73 3gxd h THR 369 Cb 0.52 -0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.84 3gxd h THR 369 CO 0.10 0.14 -0.42 0.78 0.37 0.00 0.00 175.52 176.50 3gxd h ASN 370 N 0.79 0.35 -0.12 4.18 -0.26 -1.17 -2.41 115.58 116.93 3gxd h ASN 370 Ca 0.53 -0.15 -0.15 0.00 -0.56 0.00 0.00 56.30 55.96 3gxd h ASN 370 Cb 0.79 -0.10 0.01 0.00 -1.06 0.00 0.00 38.32 37.95 3gxd h ASN 370 CO -0.30 0.73 -0.52 -0.07 -1.06 0.00 0.00 177.43 176.21 3gxd h LEU 371 N 0.28 0.67 -2.53 1.61 3.38 -0.47 -0.84 115.31 117.42 3gxd h LEU 371 Ca 0.02 -0.63 0.00 0.00 0.09 0.00 0.00 57.88 57.37 3gxd h LEU 371 Cb 0.85 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.41 3gxd h LEU 371 CO 0.07 1.19 0.00 -0.07 0.09 0.00 0.00 178.44 179.72 3gxd h LEU 372 N 0.20 0.00 -3.39 1.67 3.38 -1.24 -2.62 115.31 113.30 3gxd h LEU 372 Ca -0.03 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.68 3gxd h LEU 372 Cb 1.16 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.69 3gxd h LEU 372 CO 0.11 0.00 -0.67 -1.22 0.09 0.00 0.00 178.44 176.75 3gxd n TYR 373 N -2.88 1.28 -0.02 1.13 4.02 -0.91 -4.98 117.16 114.80 3gxd n TYR 373 Ca -0.02 -1.82 0.00 0.00 -0.01 0.00 0.00 57.90 56.05 3gxd n TYR 373 Cb 0.08 -0.29 0.00 0.00 -0.02 0.00 0.00 39.34 39.11 3gxd n TYR 373 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 3gxd n HIS 374 N -0.88 0.00 -1.97 -0.72 8.25 -0.99 -4.60 115.22 114.31 3gxd n HIS 374 Ca 0.30 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.35 3gxd n HIS 374 Cb 0.83 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.93 3gxd n HIS 374 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3gxd s VAL 375 N -2.14 2.41 -1.77 1.59 1.01 -0.36 -4.54 120.40 116.60 3gxd s VAL 375 Ca 0.00 0.41 0.18 0.00 0.00 0.00 0.00 61.98 62.57 3gxd s VAL 375 Cb 0.00 -3.26 0.02 0.00 0.00 0.00 0.00 36.38 33.14 3gxd s VAL 375 CO 0.00 0.10 0.95 1.33 0.00 0.00 0.00 175.10 177.48 3gxd n VAL 376 N 0.65 0.00 -3.64 2.92 0.24 0.10 -4.64 118.33 113.97 3gxd n VAL 376 Ca 0.00 -0.35 -0.06 0.00 -2.04 0.00 0.00 64.34 61.90 3gxd n VAL 376 Cb 0.41 1.24 -0.02 0.00 -1.47 0.00 0.00 33.84 34.00 3gxd n VAL 376 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3gxd s GLY 377 N -1.96 -0.34 -0.12 7.63 0.00 -1.26 0.13 107.32 111.39 3gxd s GLY 377 Ca 0.16 0.52 -0.04 0.00 0.00 0.00 0.00 44.72 45.37 3gxd s GLY 377 CO 0.41 0.15 0.08 -0.98 0.00 0.00 0.00 173.10 172.76 3gxd s TRP 378 N -3.21 0.15 -0.45 1.90 0.52 -0.44 -0.73 118.94 116.69 3gxd s TRP 378 Ca 0.09 -0.11 -0.16 0.00 0.02 0.00 0.00 56.10 55.94 3gxd s TRP 378 Cb -0.01 -0.62 0.04 0.00 -1.15 0.00 0.00 33.47 31.73 3gxd s TRP 378 CO -0.03 -0.39 0.40 0.99 0.02 0.00 0.00 176.95 177.94 3gxd s THR 379 N 2.15 5.17 0.95 2.01 2.01 0.10 -1.53 115.64 126.50 3gxd s THR 379 Ca 0.03 -0.72 -0.12 0.00 0.31 0.00 0.00 61.69 61.19 3gxd s THR 379 Cb -0.15 -4.07 0.09 0.00 0.01 0.00 0.00 72.50 68.38 3gxd s THR 379 CO -0.07 -0.49 0.67 -0.67 -0.69 0.00 0.00 174.62 173.37 3gxd n ASP 380 N 5.39 -1.23 0.00 3.53 -0.08 0.22 -0.12 116.55 124.25 3gxd n ASP 380 Ca -0.10 0.33 0.00 0.00 -1.51 0.00 0.00 54.79 53.51 3gxd n ASP 380 Cb 0.46 -1.30 0.00 0.00 2.34 0.00 0.00 41.12 42.62 3gxd n ASP 380 CO 0.00 0.00 0.00 1.87 0.12 0.00 0.00 177.20 179.19 3gxd n TRP 381 N -3.91 0.00 -1.69 -0.67 -0.00 -1.16 -1.84 117.44 108.16 3gxd n TRP 381 Ca 0.08 0.00 -0.56 0.00 -0.00 0.00 0.00 57.50 57.02 3gxd n TRP 381 Cb 0.53 0.00 -0.07 0.00 -0.00 0.00 0.00 31.31 31.78 3gxd n TRP 381 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 177.69 177.78 3gxd n ASN 382 N 0.00 2.37 -0.28 5.87 3.02 -1.26 0.15 115.26 125.13 3gxd n ASN 382 Ca 0.00 1.07 0.07 0.00 -0.03 0.00 0.00 54.58 55.70 3gxd n ASN 382 Cb 0.00 -1.16 0.23 0.00 -0.61 0.00 0.00 39.78 38.23 3gxd n ASN 382 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3gxd h LEU 383 N 7.00 0.40 -7.76 3.41 3.38 -1.17 -3.42 115.31 117.15 3gxd h LEU 383 Ca -0.47 0.11 -0.12 0.00 0.09 0.00 0.00 57.88 57.49 3gxd h LEU 383 Cb 1.32 0.06 -0.18 0.00 0.09 0.00 0.00 40.66 41.95 3gxd h LEU 383 CO 0.94 0.14 -0.43 0.00 0.09 0.00 0.00 178.44 179.18 3gxd s ALA 384 N -5.97 -0.32 0.04 1.53 0.00 -1.26 -3.96 121.76 111.81 3gxd s ALA 384 Ca -0.12 -0.28 0.01 0.00 0.00 0.00 0.00 51.96 51.57 3gxd s ALA 384 Cb 0.22 0.24 -0.03 0.00 0.00 0.00 0.00 23.12 23.55 3gxd s ALA 384 CO 0.77 -0.32 -0.05 -0.51 0.00 0.00 0.00 175.76 175.65 3gxd s LEU 385 N -1.95 2.29 1.19 0.00 1.43 -0.83 -3.87 118.68 116.95 3gxd s LEU 385 Ca -0.07 -0.61 -0.17 0.00 -1.03 0.00 0.00 54.13 52.25 3gxd s LEU 385 Cb -0.02 0.01 0.28 0.00 0.03 0.00 0.00 46.19 46.48 3gxd s LEU 385 CO -0.03 -0.31 1.05 0.54 0.23 0.00 0.00 176.35 177.83 3gxd s ASN 386 N -1.78 0.98 0.00 2.29 2.20 -0.30 -0.06 114.94 118.26 3gxd s ASN 386 Ca -0.09 1.00 0.29 0.00 -0.94 0.00 0.00 52.86 53.12 3gxd s ASN 386 Cb -0.07 -1.51 1.35 0.00 -2.00 0.00 0.00 41.25 39.02 3gxd s ASN 386 CO -0.02 -4.13 1.98 -2.65 -2.94 0.00 0.00 177.10 169.34 3gxd n PRO 387 N -4.82 0.18 0.22 3.55 -0.02 -1.25 -1.43 135.00 131.43 3gxd n PRO 387 Ca 0.08 -0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.67 3gxd n PRO 387 Cb 0.58 -1.50 0.29 0.00 -0.02 0.00 0.00 33.50 32.85 3gxd n PRO 387 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3gxd h GLU 388 N 0.00 0.00 0.00 -0.52 3.07 -1.93 -3.42 114.58 111.78 3gxd h GLU 388 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3gxd h GLU 388 Cb 0.41 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.32 3gxd h GLU 388 CO 0.00 0.13 0.00 0.41 -1.40 0.00 0.00 179.01 178.15 3gxd n GLY 389 N 0.76 0.79 0.00 -3.84 0.00 -0.52 -4.58 105.19 97.80 3gxd n GLY 389 Ca 0.02 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.68 3gxd n GLY 389 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gxd n GLY 390 N -2.34 6.01 3.77 -0.02 0.00 -1.25 -4.65 105.19 106.71 3gxd n GLY 390 Ca 0.00 -2.10 -0.37 0.00 0.00 0.00 0.00 46.02 43.55 3gxd n GLY 390 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gxd s PRO 391 N -0.13 4.06 -0.03 1.61 0.04 -1.26 -1.15 135.00 138.14 3gxd s PRO 391 Ca 0.00 1.69 0.01 0.00 0.04 0.00 0.00 61.00 62.74 3gxd s PRO 391 Cb 0.00 -2.59 0.02 0.00 0.04 0.00 0.00 34.50 31.97 3gxd s PRO 391 CO 0.00 -0.28 -0.02 1.21 0.04 0.00 0.00 177.00 177.95 3gxd s ASN 392 N -1.34 0.58 0.00 6.66 3.84 -1.26 -4.58 114.94 118.83 3gxd s ASN 392 Ca 0.58 -0.07 0.11 0.00 0.21 0.00 0.00 52.86 53.69 3gxd s ASN 392 Cb -0.27 -0.25 0.65 0.00 -0.55 0.00 0.00 41.25 40.83 3gxd s ASN 392 CO 0.33 -0.05 1.40 -2.67 -2.79 0.00 0.00 177.10 173.32 3gxd n TRP 393 N 3.84 0.00 0.07 0.43 4.27 0.05 -4.37 117.44 121.74 3gxd n TRP 393 Ca -0.24 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.37 3gxd n TRP 393 Cb 0.52 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.47 3gxd n TRP 393 CO 0.00 0.00 0.00 0.28 -2.29 0.00 0.00 177.69 175.68 3gxd n VAL 394 N -0.67 0.21 -3.61 -1.67 0.31 -1.26 -5.05 118.33 106.58 3gxd n VAL 394 Ca 0.08 0.07 -0.06 0.00 -0.01 0.00 0.00 64.34 64.42 3gxd n VAL 394 Cb 0.04 -0.79 -0.05 0.00 -0.91 0.00 0.00 33.84 32.12 3gxd n VAL 394 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 3gxd s ARG 395 N -2.00 0.33 -0.17 5.55 3.52 -1.26 -5.12 118.95 119.80 3gxd s ARG 395 Ca 0.00 0.11 -0.19 0.00 -0.13 0.00 0.00 55.73 55.52 3gxd s ARG 395 Cb 0.00 0.16 -0.23 0.00 -1.56 0.00 0.00 34.95 33.32 3gxd s ARG 395 CO 0.00 -0.10 0.37 -0.91 -0.81 0.00 0.00 175.30 173.85 3gxd h ASN 396 N 2.49 0.14 0.00 -2.12 2.35 -1.91 -3.47 115.58 113.07 3gxd h ASN 396 Ca -0.15 -0.70 0.00 0.00 -0.55 0.00 0.00 56.30 54.90 3gxd h ASN 396 Cb 1.18 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.50 3gxd h ASN 396 CO 0.25 1.52 0.00 2.22 -1.65 0.00 0.00 177.43 179.78 3gxd n PHE 397 N -4.20 0.00 -4.29 1.19 -1.74 -1.26 -4.82 117.46 102.33 3gxd n PHE 397 Ca -0.28 0.00 -0.24 0.00 -0.56 0.00 0.00 57.45 56.37 3gxd n PHE 397 Cb 0.76 0.00 -0.12 0.00 1.52 0.00 0.00 39.48 41.64 3gxd n PHE 397 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 3gxd s VAL 398 N 0.00 1.72 0.79 1.97 -7.23 -1.26 -3.61 120.40 112.78 3gxd s VAL 398 Ca 0.00 -1.59 -0.06 0.00 -1.81 0.00 0.00 61.98 58.52 3gxd s VAL 398 Cb 0.00 -1.59 0.14 0.00 0.56 0.00 0.00 36.38 35.49 3gxd s VAL 398 CO 0.00 -0.10 1.09 -0.62 -0.31 0.00 0.00 175.10 175.16 3gxd s ASP 399 N -2.01 4.06 -0.15 4.85 -1.08 -1.19 -4.58 116.67 116.57 3gxd s ASP 399 Ca 0.08 -0.06 -0.18 0.00 -0.52 0.00 0.00 52.55 51.87 3gxd s ASP 399 Cb -0.09 -0.27 0.05 0.00 -1.46 0.00 0.00 42.92 41.14 3gxd s ASP 399 CO 0.05 -2.07 0.48 -0.55 0.52 0.00 0.00 175.17 173.59 3gxd s SER 400 N -4.75 -0.48 0.65 -0.34 0.15 -1.26 -4.80 113.70 102.87 3gxd s SER 400 Ca 0.68 0.84 0.34 0.00 0.70 0.00 0.00 55.95 58.51 3gxd s SER 400 Cb -0.06 0.86 1.90 0.00 -1.71 0.00 0.00 66.02 67.01 3gxd s SER 400 CO 0.47 -0.25 2.11 -0.65 1.20 0.00 0.00 173.24 176.12 3gxd h PRO 401 N 4.94 0.00 -4.64 5.44 0.11 -1.82 -3.39 132.00 132.64 3gxd h PRO 401 Ca -0.28 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.30 3gxd h PRO 401 Cb 1.17 0.00 -0.33 0.00 0.11 0.00 0.00 31.00 31.95 3gxd h PRO 401 CO 0.24 0.00 -0.82 0.42 -0.21 0.00 0.00 178.00 177.63 3gxd s ILE 402 N -4.25 1.22 -0.17 4.15 1.01 -1.25 -1.66 121.20 120.24 3gxd s ILE 402 Ca -0.04 -0.53 -0.05 0.00 0.00 0.00 0.00 60.65 60.03 3gxd s ILE 402 Cb 0.12 -1.10 -0.03 0.00 0.01 0.00 0.00 42.46 41.45 3gxd s ILE 402 CO 0.39 0.37 0.00 -0.63 0.00 0.00 0.00 174.94 175.07 3gxd s ILE 403 N 0.60 4.23 -0.11 2.92 -1.09 -0.61 -1.96 121.20 125.19 3gxd s ILE 403 Ca -0.14 -0.23 -0.05 0.00 -2.23 0.00 0.00 60.65 57.99 3gxd s ILE 403 Cb -0.16 -2.88 -0.04 0.00 -1.58 0.00 0.00 42.46 37.81 3gxd s ILE 403 CO 0.04 0.48 0.08 -0.69 -1.23 0.00 0.00 174.94 173.62 3gxd s VAL 404 N 0.37 4.96 -0.51 2.92 1.01 0.92 -0.42 120.40 129.64 3gxd s VAL 404 Ca -0.01 0.00 0.02 0.00 0.00 0.00 0.00 61.98 61.99 3gxd s VAL 404 Cb -0.13 -3.14 0.13 0.00 0.00 0.00 0.00 36.38 33.23 3gxd s VAL 404 CO 0.02 0.60 0.26 -0.62 0.00 0.00 0.00 175.10 175.36 3gxd s ASP 405 N -0.81 4.58 0.07 3.32 2.15 -0.32 -3.77 116.67 121.89 3gxd s ASP 405 Ca 0.13 -2.84 -0.24 0.00 0.43 0.00 0.00 52.55 50.03 3gxd s ASP 405 Cb -0.12 -1.69 -0.16 0.00 -0.30 0.00 0.00 42.92 40.66 3gxd s ASP 405 CO 0.03 -0.29 1.67 0.16 -0.17 0.00 0.00 175.17 176.57 3gxd h ILE 406 N 5.63 1.00 -0.99 4.11 -2.65 -1.85 -1.53 117.51 121.23 3gxd h ILE 406 Ca -0.06 -0.15 0.29 0.00 1.03 0.00 0.00 64.86 65.97 3gxd h ILE 406 Cb 0.92 1.10 -0.04 0.00 -2.05 0.00 0.00 36.82 36.75 3gxd h ILE 406 CO 0.67 0.04 1.03 0.71 0.03 0.00 0.00 178.15 180.63 3gxd h THR 407 N -0.13 0.11 -0.20 0.16 1.35 -1.96 -0.12 112.91 112.13 3gxd h THR 407 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.85 3gxd h THR 407 Cb 0.11 0.19 0.00 0.00 -1.73 0.00 0.00 68.15 66.71 3gxd h THR 407 CO 0.01 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.57 3gxd n LYS 408 N -3.48 2.61 -4.48 4.72 5.02 -0.60 -4.99 118.16 116.96 3gxd n LYS 408 Ca 0.22 -1.75 -0.39 0.00 -2.02 0.00 0.00 58.31 54.36 3gxd n LYS 408 Cb 1.35 -1.17 -0.08 0.00 -0.02 0.00 0.00 35.03 35.10 3gxd n LYS 408 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3gxd n ASP 409 N 0.17 -1.09 -4.19 4.39 2.03 -0.06 -4.94 116.55 112.87 3gxd n ASP 409 Ca 0.07 -1.25 -0.13 0.00 0.52 0.00 0.00 54.79 54.00 3gxd n ASP 409 Cb 0.34 -1.63 -0.10 0.00 -0.72 0.00 0.00 41.12 39.01 3gxd n ASP 409 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 3gxd s THR 410 N -3.57 0.91 0.06 5.18 -4.23 -1.14 -3.98 115.64 108.88 3gxd s THR 410 Ca 0.60 -1.80 0.02 0.00 -1.18 0.00 0.00 61.69 59.33 3gxd s THR 410 Cb -0.35 -1.54 -0.03 0.00 1.34 0.00 0.00 72.50 71.92 3gxd s THR 410 CO 1.02 -0.68 -0.07 0.72 -0.54 0.00 0.00 174.62 175.06 3gxd s PHE 411 N -2.94 0.72 -0.12 3.99 -0.12 0.09 -1.17 117.98 118.42 3gxd s PHE 411 Ca 0.09 -0.62 0.01 0.00 -0.05 0.00 0.00 56.93 56.36 3gxd s PHE 411 Cb 0.00 -0.43 -0.01 0.00 -0.63 0.00 0.00 43.02 41.96 3gxd s PHE 411 CO -0.01 -0.11 -0.16 0.71 -0.05 0.00 0.00 175.22 175.60 3gxd s TYR 412 N -2.03 2.75 -0.35 3.49 1.51 0.44 -0.75 117.35 122.41 3gxd s TYR 412 Ca -0.04 -0.77 -0.12 0.00 -1.01 0.00 0.00 57.07 55.12 3gxd s TYR 412 Cb -0.06 -1.82 -0.01 0.00 -0.11 0.00 0.00 41.96 39.97 3gxd s TYR 412 CO -0.01 -0.28 0.23 0.15 -1.11 0.00 0.00 175.55 174.52 3gxd s LYS 413 N 0.39 3.37 0.65 -0.62 1.02 -0.29 -1.57 119.74 122.69 3gxd s LYS 413 Ca -0.12 -0.72 -0.11 0.00 0.02 0.00 0.00 55.97 55.03 3gxd s LYS 413 Cb -0.16 -3.78 -0.02 0.00 -0.52 0.00 0.00 37.83 33.34 3gxd s LYS 413 CO 0.06 -0.49 1.04 -0.65 -0.92 0.00 0.00 175.35 174.39 3gxd s GLN 414 N 1.69 3.35 0.22 1.68 -1.52 -0.67 -1.05 119.66 123.37 3gxd s GLN 414 Ca 0.05 0.81 -0.10 0.00 -1.95 0.00 0.00 55.36 54.17 3gxd s GLN 414 Cb -0.18 -2.05 0.32 0.00 -0.22 0.00 0.00 33.01 30.89 3gxd s GLN 414 CO 0.10 -0.76 1.64 -1.35 -0.25 0.00 0.00 175.29 174.66 3gxd h PRO 415 N -0.46 0.07 -0.47 2.91 0.11 -1.79 0.60 132.00 132.97 3gxd h PRO 415 Ca -0.44 -0.00 0.10 0.00 0.11 0.00 0.00 66.00 65.76 3gxd h PRO 415 Cb 1.20 -0.02 -0.09 0.00 0.11 0.00 0.00 31.00 32.20 3gxd h PRO 415 CO 0.60 0.05 -0.11 -1.33 -0.21 0.00 0.00 178.00 177.00 3gxd n MET 416 N -5.35 -0.04 -0.26 1.05 2.81 -1.26 -0.71 117.12 113.36 3gxd n MET 416 Ca 0.10 0.73 -0.00 0.00 -1.81 0.00 0.00 57.70 56.72 3gxd n MET 416 Cb 0.38 -1.10 0.12 0.00 -0.71 0.00 0.00 33.22 31.91 3gxd n MET 416 CO 0.00 0.00 0.00 0.35 1.51 0.00 0.00 175.97 177.83 3gxd h PHE 417 N 0.00 0.76 0.03 2.03 3.57 -1.07 -1.08 116.94 121.18 3gxd h PHE 417 Ca 0.23 0.03 -0.22 0.00 3.53 0.00 0.00 57.97 61.53 3gxd h PHE 417 Cb 0.35 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 3gxd h PHE 417 CO -0.36 0.36 -0.98 1.88 -2.23 0.00 0.00 178.31 176.98 3gxd h TYR 418 N 0.75 0.35 -0.41 0.41 -1.99 -0.96 -1.86 116.97 113.27 3gxd h TYR 418 Ca 0.33 -0.21 -0.14 0.00 2.00 0.00 0.00 58.73 60.71 3gxd h TYR 418 Cb 0.22 -0.03 -0.01 0.00 2.00 0.00 0.00 36.73 38.91 3gxd h TYR 418 CO -0.07 1.07 -0.30 0.45 -0.00 0.00 0.00 178.16 179.31 3gxd h HIS 419 N 0.10 1.09 -0.52 4.88 3.86 -1.13 -1.03 115.15 122.40 3gxd h HIS 419 Ca -0.06 -0.30 0.09 0.00 -1.16 0.00 0.00 60.37 58.94 3gxd h HIS 419 Cb 1.65 -0.24 -0.07 0.00 1.06 0.00 0.00 27.41 29.81 3gxd h HIS 419 CO 0.04 1.12 0.10 -0.07 0.86 0.00 0.00 177.93 179.98 3gxd h LEU 420 N 0.74 -0.00 -1.60 2.43 3.38 -1.18 -3.19 115.31 115.90 3gxd h LEU 420 Ca 0.08 0.09 -0.05 0.00 0.09 0.00 0.00 57.88 58.10 3gxd h LEU 420 Cb 0.89 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 3gxd h LEU 420 CO 0.08 0.02 -0.22 1.23 0.09 0.00 0.00 178.44 179.64 3gxd h GLY 421 N 0.24 0.00 2.00 0.83 0.00 -0.78 0.28 103.07 105.64 3gxd h GLY 421 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.60 3gxd h GLY 421 CO -0.35 0.00 0.00 1.42 0.00 0.00 0.00 176.54 177.61 3gxd n HIS 422 N -4.06 0.78 -0.04 5.60 8.25 -0.44 -1.55 115.22 123.76 3gxd n HIS 422 Ca -0.02 0.34 -0.09 0.00 -0.26 0.00 0.00 57.72 57.69 3gxd n HIS 422 Cb 0.29 -1.04 -0.03 0.00 1.12 0.00 0.00 29.99 30.33 3gxd n HIS 422 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3gxd n PHE 423 N -2.24 0.00 0.22 4.41 3.01 -0.66 -4.66 117.46 117.55 3gxd n PHE 423 Ca 0.01 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.53 3gxd n PHE 423 Cb 0.16 -0.34 0.51 0.00 -0.01 0.00 0.00 39.48 39.80 3gxd n PHE 423 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 3gxd h SER 424 N -0.50 0.00 0.81 4.37 4.64 -0.44 -1.92 113.55 120.51 3gxd h SER 424 Ca -0.14 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.00 3gxd h SER 424 Cb 0.81 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.88 3gxd h SER 424 CO -0.08 0.19 -0.87 0.50 -0.87 0.00 0.00 176.83 175.70 3gxd h LYS 425 N 0.00 0.03 -0.05 4.77 3.64 -0.95 -3.37 116.57 120.65 3gxd h LYS 425 Ca -0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3gxd h LYS 425 Cb 0.35 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 3gxd h LYS 425 CO 0.03 0.88 0.00 1.19 -2.27 0.00 0.00 179.45 179.27 3gxd n PHE 426 N -3.54 0.10 -3.45 1.91 3.01 -0.89 -4.75 117.46 109.84 3gxd n PHE 426 Ca -0.01 -0.69 -0.26 0.00 1.01 0.00 0.00 57.45 57.50 3gxd n PHE 426 Cb 0.82 -0.10 -0.09 0.00 -0.01 0.00 0.00 39.48 40.10 3gxd n PHE 426 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 3gxd n ILE 427 N -0.72 0.13 -1.12 4.37 5.41 -0.77 -4.92 119.36 121.74 3gxd n ILE 427 Ca 0.07 -4.19 -0.34 0.00 1.00 0.00 0.00 62.75 59.29 3gxd n ILE 427 Cb 0.43 -1.92 0.11 0.00 -0.71 0.00 0.00 39.64 37.54 3gxd n ILE 427 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 3gxd n PRO 428 N 1.94 0.17 -1.68 0.38 -0.04 -1.26 -4.87 135.00 129.65 3gxd n PRO 428 Ca 0.25 0.12 -0.44 0.00 -0.04 0.00 0.00 63.50 63.39 3gxd n PRO 428 Cb 0.45 -2.16 -0.03 0.00 -0.04 0.00 0.00 33.50 31.72 3gxd n PRO 428 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3gxd n GLU 429 N -2.21 2.08 -0.00 0.54 2.13 -1.26 -2.31 120.64 119.61 3gxd n GLU 429 Ca 0.11 0.74 0.00 0.00 0.66 0.00 0.00 57.16 58.68 3gxd n GLU 429 Cb 0.51 -2.41 0.00 0.00 0.27 0.00 0.00 31.44 29.81 3gxd n GLU 429 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3gxd n GLY 430 N 2.14 0.02 3.76 8.31 0.00 -0.46 -4.89 105.19 114.07 3gxd n GLY 430 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 3gxd n GLY 430 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gxd s SER 431 N -2.02 5.58 -0.10 1.61 0.01 -0.98 -4.41 113.70 113.39 3gxd s SER 431 Ca 0.00 2.52 0.03 0.00 1.31 0.00 0.00 55.95 59.81 3gxd s SER 431 Cb 0.00 -2.62 -0.01 0.00 0.21 0.00 0.00 66.02 63.61 3gxd s SER 431 CO 0.00 -1.34 -0.20 -1.58 0.41 0.00 0.00 173.24 170.53 3gxd s GLN 432 N -2.91 3.05 0.30 12.44 0.74 0.56 -0.37 119.66 133.47 3gxd s GLN 432 Ca 0.70 -0.81 -0.29 0.00 0.05 0.00 0.00 55.36 55.00 3gxd s GLN 432 Cb -0.34 -2.39 -0.10 0.00 1.10 0.00 0.00 33.01 31.28 3gxd s GLN 432 CO 0.40 0.24 1.26 0.50 -0.55 0.00 0.00 175.29 177.14 3gxd s ARG 433 N 0.21 4.43 0.16 1.67 3.52 0.29 -0.38 118.95 128.85 3gxd s ARG 433 Ca -0.13 2.10 0.01 0.00 -0.13 0.00 0.00 55.73 57.59 3gxd s ARG 433 Cb -0.16 -3.11 -0.04 0.00 -1.56 0.00 0.00 34.95 30.07 3gxd s ARG 433 CO 0.07 -0.10 0.01 0.14 -0.81 0.00 0.00 175.30 174.60 3gxd s VAL 434 N -0.98 0.59 0.83 7.11 -7.23 -0.80 -0.21 120.40 119.70 3gxd s VAL 434 Ca 0.49 -1.97 -0.11 0.00 -1.81 0.00 0.00 61.98 58.58 3gxd s VAL 434 Cb -0.38 -2.09 0.09 0.00 0.56 0.00 0.00 36.38 34.57 3gxd s VAL 434 CO 0.48 -0.49 1.09 -0.83 -0.31 0.00 0.00 175.10 175.05 3gxd s GLY 435 N -3.15 1.65 -0.29 2.32 0.00 -0.83 -4.19 107.32 102.83 3gxd s GLY 435 Ca 0.23 0.17 -0.01 0.00 0.00 0.00 0.00 44.72 45.11 3gxd s GLY 435 CO 0.03 0.57 0.73 -2.27 0.00 0.00 0.00 173.10 172.17 3gxd s LEU 436 N -6.09 -1.21 -0.19 0.66 2.96 -1.26 -2.42 118.68 111.13 3gxd s LEU 436 Ca 0.62 0.34 -0.08 0.00 -0.22 0.00 0.00 54.13 54.79 3gxd s LEU 436 Cb -0.18 1.85 -0.04 0.00 0.50 0.00 0.00 46.19 48.32 3gxd s LEU 436 CO 0.57 -0.22 0.08 -0.69 -1.32 0.00 0.00 176.35 174.76 3gxd s VAL 437 N 2.88 4.96 -0.08 1.68 1.01 -0.77 -4.86 120.40 125.22 3gxd s VAL 437 Ca 0.15 0.03 -0.24 0.00 0.00 0.00 0.00 61.98 61.92 3gxd s VAL 437 Cb -0.10 -3.25 -0.03 0.00 0.00 0.00 0.00 36.38 33.00 3gxd s VAL 437 CO -0.23 0.45 0.73 0.00 0.00 0.00 0.00 175.10 176.06 3gxd s ALA 438 N 0.40 3.35 0.36 5.51 0.00 -1.26 -1.39 121.76 128.73 3gxd s ALA 438 Ca 0.04 0.14 0.39 0.00 0.00 0.00 0.00 51.96 52.53 3gxd s ALA 438 Cb -0.12 -3.01 1.90 0.00 0.00 0.00 0.00 23.12 21.89 3gxd s ALA 438 CO -0.00 -0.18 2.16 0.66 0.00 0.00 0.00 175.76 178.40 3gxd h SER 439 N 6.85 0.00 -5.03 0.00 4.64 -0.90 -3.46 113.55 115.65 3gxd h SER 439 Ca -0.39 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 60.98 3gxd h SER 439 Cb 1.19 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.24 3gxd h SER 439 CO 0.76 0.00 0.27 0.00 -0.87 0.00 0.00 176.83 176.99 3gxd s GLN 440 N -3.90 1.87 0.12 4.77 -2.07 -1.26 -4.98 119.66 114.22 3gxd s GLN 440 Ca -0.02 -1.10 -0.30 0.00 -1.82 0.00 0.00 55.36 52.12 3gxd s GLN 440 Cb 0.11 0.60 -0.07 0.00 -1.09 0.00 0.00 33.01 32.56 3gxd s GLN 440 CO 0.46 -0.86 1.16 0.21 -1.32 0.00 0.00 175.29 174.93 3gxd s LYS 441 N -3.38 4.50 0.06 9.60 2.20 -1.26 -4.99 119.74 126.47 3gxd s LYS 441 Ca 0.13 1.76 -0.06 0.00 -0.36 0.00 0.00 55.97 57.44 3gxd s LYS 441 Cb -0.05 -3.31 -0.01 0.00 -1.51 0.00 0.00 37.83 32.95 3gxd s LYS 441 CO 0.08 -0.11 0.12 0.54 -0.36 0.00 0.00 175.35 175.62 3gxd s ASN 442 N 0.50 0.22 0.00 1.43 2.20 -1.26 -5.05 114.94 112.97 3gxd s ASN 442 Ca 0.54 -0.69 0.22 0.00 -0.94 0.00 0.00 52.86 51.99 3gxd s ASN 442 Cb -0.30 0.28 0.88 0.00 -2.00 0.00 0.00 41.25 40.11 3gxd s ASN 442 CO 0.32 -0.63 1.62 0.47 -2.94 0.00 0.00 177.10 175.94 3gxd n ASP 443 N 0.23 1.33 -4.95 3.54 8.00 -1.26 -4.93 116.55 118.51 3gxd n ASP 443 Ca -0.16 -1.61 -0.23 0.00 0.71 0.00 0.00 54.79 53.49 3gxd n ASP 443 Cb 0.61 -0.07 -0.00 0.00 -0.02 0.00 0.00 41.12 41.64 3gxd n ASP 443 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3gxd s LEU 444 N -1.64 3.85 -0.18 0.64 1.43 -1.26 -4.67 118.68 116.86 3gxd s LEU 444 Ca 0.33 0.34 -0.00 0.00 -1.03 0.00 0.00 54.13 53.77 3gxd s LEU 444 Cb 0.17 -3.22 0.00 0.00 0.03 0.00 0.00 46.19 43.18 3gxd s LEU 444 CO 0.27 -0.48 -0.14 -1.81 0.23 0.00 0.00 176.35 174.42 3gxd s ASP 445 N -4.12 3.66 0.01 2.29 1.01 -1.04 -5.04 116.67 113.45 3gxd s ASP 445 Ca 0.44 -0.50 0.02 0.00 0.71 0.00 0.00 52.55 53.22 3gxd s ASP 445 Cb -0.10 -1.58 -0.01 0.00 1.01 0.00 0.00 42.92 42.24 3gxd s ASP 445 CO 0.37 0.04 -0.07 0.00 0.21 0.00 0.00 175.17 175.71 3gxd s ALA 446 N 1.08 0.60 0.03 5.23 0.00 -1.26 -1.80 121.76 125.62 3gxd s ALA 446 Ca -0.00 -0.41 0.03 0.00 0.00 0.00 0.00 51.96 51.58 3gxd s ALA 446 Cb -0.14 -0.11 -0.02 0.00 0.00 0.00 0.00 23.12 22.85 3gxd s ALA 446 CO -0.04 0.11 -0.08 0.54 0.00 0.00 0.00 175.76 176.29 3gxd s VAL 447 N -0.41 0.63 0.02 0.00 0.11 -0.86 -5.01 120.40 114.87 3gxd s VAL 447 Ca 0.00 -0.79 0.07 0.00 -2.93 0.00 0.00 61.98 58.33 3gxd s VAL 447 Cb -0.04 -0.62 -0.03 0.00 -1.53 0.00 0.00 36.38 34.16 3gxd s VAL 447 CO -0.00 -0.13 -0.19 0.00 -3.33 0.00 0.00 175.10 171.44 3gxd s ALA 448 N -0.86 2.52 0.08 1.54 0.00 -1.26 -2.16 121.76 121.62 3gxd s ALA 448 Ca -0.04 -1.16 -0.00 0.00 0.00 0.00 0.00 51.96 50.77 3gxd s ALA 448 Cb -0.07 -0.73 -0.04 0.00 0.00 0.00 0.00 23.12 22.28 3gxd s ALA 448 CO 0.00 0.56 -0.02 -0.51 0.00 0.00 0.00 175.76 175.79 3gxd s LEU 449 N -1.20 2.37 -0.07 0.00 1.02 0.11 -1.91 118.68 119.00 3gxd s LEU 449 Ca 0.13 -1.04 0.05 0.00 0.02 0.00 0.00 54.13 53.29 3gxd s LEU 449 Cb -0.10 0.15 -0.01 0.00 0.02 0.00 0.00 46.19 46.25 3gxd s LEU 449 CO 0.03 -0.59 -0.23 -0.32 0.02 0.00 0.00 176.35 175.26 3gxd s MET 450 N -3.92 2.52 0.92 1.70 1.75 0.49 -1.45 119.30 121.30 3gxd s MET 450 Ca 0.11 -0.82 -0.12 0.00 -1.25 0.00 0.00 55.69 53.61 3gxd s MET 450 Cb 0.07 -2.06 0.14 0.00 2.84 0.00 0.00 34.83 35.83 3gxd s MET 450 CO -0.07 0.28 1.10 -1.01 -0.65 0.00 0.00 175.02 174.67 3gxd s HIS 451 N 0.06 2.31 0.27 4.11 3.76 -0.30 -0.32 115.29 125.18 3gxd s HIS 451 Ca -0.09 1.11 -0.04 0.00 -0.15 0.00 0.00 55.06 55.89 3gxd s HIS 451 Cb -0.15 -3.21 0.34 0.00 1.11 0.00 0.00 32.58 30.67 3gxd s HIS 451 CO 0.05 -2.50 1.95 -1.35 -0.85 0.00 0.00 174.74 172.03 3gxd h PRO 452 N -1.62 1.23 0.00 8.40 0.11 -1.89 -2.44 132.00 135.79 3gxd h PRO 452 Ca -0.51 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.53 3gxd h PRO 452 Cb 1.30 -0.28 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3gxd h PRO 452 CO 0.57 0.81 0.00 -0.40 -0.21 0.00 0.00 178.00 178.77 3gxd n ASP 453 N -4.39 0.00 0.00 -2.05 5.75 -1.26 -4.86 116.55 109.74 3gxd n ASP 453 Ca 0.11 -0.80 0.00 0.00 -0.01 0.00 0.00 54.79 54.09 3gxd n ASP 453 Cb 0.02 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.11 3gxd n ASP 453 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3gxd n GLY 454 N 0.33 1.05 3.83 6.12 0.00 -0.92 -5.06 105.19 110.54 3gxd n GLY 454 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 3gxd n GLY 454 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gxd s SER 455 N -2.75 5.84 -0.12 1.61 1.04 -1.26 -4.56 113.70 113.50 3gxd s SER 455 Ca 0.00 1.59 -0.05 0.00 0.48 0.00 0.00 55.95 57.98 3gxd s SER 455 Cb 0.00 -2.50 -0.04 0.00 0.10 0.00 0.00 66.02 63.59 3gxd s SER 455 CO 0.00 -1.13 0.05 0.00 0.98 0.00 0.00 173.24 173.14 3gxd s ALA 456 N -2.93 3.47 -0.02 5.32 0.00 0.23 -1.15 121.76 126.68 3gxd s ALA 456 Ca 0.58 -0.75 0.05 0.00 0.00 0.00 0.00 51.96 51.85 3gxd s ALA 456 Cb -0.13 -1.72 -0.01 0.00 0.00 0.00 0.00 23.12 21.26 3gxd s ALA 456 CO 0.49 0.49 -0.18 0.54 0.00 0.00 0.00 175.76 177.10 3gxd s VAL 457 N -0.60 1.46 -0.04 0.00 0.11 -0.53 -2.18 120.40 118.62 3gxd s VAL 457 Ca 0.11 -0.77 0.03 0.00 -2.93 0.00 0.00 61.98 58.42 3gxd s VAL 457 Cb -0.12 -1.23 0.00 0.00 -1.53 0.00 0.00 36.38 33.51 3gxd s VAL 457 CO 0.02 0.42 -0.12 -0.69 -3.33 0.00 0.00 175.10 171.40 3gxd s VAL 458 N -0.29 1.06 -0.15 2.04 1.01 -0.80 -0.71 120.40 122.57 3gxd s VAL 458 Ca 0.04 -0.49 -0.03 0.00 0.00 0.00 0.00 61.98 61.49 3gxd s VAL 458 Cb -0.09 -0.93 -0.03 0.00 0.00 0.00 0.00 36.38 35.33 3gxd s VAL 458 CO 0.00 0.32 -0.05 -0.69 0.00 0.00 0.00 175.10 174.69 3gxd s VAL 459 N 0.25 3.83 -0.37 2.92 1.01 -0.92 0.61 120.40 127.74 3gxd s VAL 459 Ca -0.06 -0.38 0.03 0.00 0.00 0.00 0.00 61.98 61.57 3gxd s VAL 459 Cb -0.11 -2.67 0.11 0.00 0.00 0.00 0.00 36.38 33.71 3gxd s VAL 459 CO 0.02 0.51 0.10 -0.69 0.00 0.00 0.00 175.10 175.04 3gxd s VAL 460 N 0.24 1.98 0.08 2.92 1.01 -0.24 -2.03 120.40 124.36 3gxd s VAL 460 Ca -0.03 -2.32 -0.30 0.00 0.00 0.00 0.00 61.98 59.33 3gxd s VAL 460 Cb -0.14 -2.45 -0.05 0.00 0.00 0.00 0.00 36.38 33.74 3gxd s VAL 460 CO 0.03 -0.67 1.02 -0.22 0.00 0.00 0.00 175.10 175.26 3gxd s LEU 461 N 0.83 4.44 -0.33 3.92 2.96 -0.75 -1.44 118.68 128.32 3gxd s LEU 461 Ca 0.12 1.83 -0.00 0.00 -0.22 0.00 0.00 54.13 55.85 3gxd s LEU 461 Cb -0.20 -3.58 0.08 0.00 0.50 0.00 0.00 46.19 42.98 3gxd s LEU 461 CO -0.10 -0.20 0.04 0.21 -1.32 0.00 0.00 176.35 174.99 3gxd s ASN 462 N 0.43 4.89 0.00 3.68 3.84 0.33 -2.48 114.94 125.63 3gxd s ASN 462 Ca 0.50 -1.65 0.18 0.00 0.21 0.00 0.00 52.86 52.10 3gxd s ASN 462 Cb -0.24 -1.70 0.52 0.00 -0.55 0.00 0.00 41.25 39.28 3gxd s ASN 462 CO 0.30 -0.34 1.42 0.54 -2.79 0.00 0.00 177.10 176.23 3gxd n ARG 463 N 4.51 2.09 -3.68 0.43 1.74 -1.26 -1.89 116.66 118.60 3gxd n ARG 463 Ca -0.07 -1.68 -0.24 0.00 -0.77 0.00 0.00 57.85 55.09 3gxd n ARG 463 Cb 0.42 -1.41 -0.01 0.00 -1.02 0.00 0.00 32.46 30.45 3gxd n ARG 463 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3gxd s SER 464 N -1.25 4.81 0.00 0.55 1.04 -1.26 -4.81 113.70 112.78 3gxd s SER 464 Ca 0.34 -1.04 0.22 0.00 0.48 0.00 0.00 55.95 55.95 3gxd s SER 464 Cb 0.18 0.07 -0.09 0.00 0.10 0.00 0.00 66.02 66.28 3gxd s SER 464 CO 0.25 -0.98 0.99 -1.54 0.98 0.00 0.00 173.24 172.94 3gxd n SER 465 N -1.74 0.87 -4.86 7.02 3.41 -1.26 0.17 113.62 117.22 3gxd n SER 465 Ca 0.02 -0.81 -0.37 0.00 -0.26 0.00 0.00 58.87 57.45 3gxd n SER 465 Cb 0.63 0.88 -0.06 0.00 -0.26 0.00 0.00 64.21 65.41 3gxd n SER 465 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3gxd s LYS 466 N -3.02 3.66 0.15 4.33 3.01 -1.26 -4.17 119.74 122.43 3gxd s LYS 466 Ca 0.08 0.10 -0.31 0.00 -1.01 0.00 0.00 55.97 54.83 3gxd s LYS 466 Cb 0.16 -3.17 -0.08 0.00 -1.01 0.00 0.00 37.83 33.73 3gxd s LYS 466 CO 0.84 0.71 1.33 -0.51 0.51 0.00 0.00 175.35 178.23 3gxd s ASP 467 N -1.22 6.89 -0.27 2.83 1.11 -1.26 -3.04 116.67 121.71 3gxd s ASP 467 Ca 0.22 2.32 -0.04 0.00 0.18 0.00 0.00 52.55 55.23 3gxd s ASP 467 Cb -0.14 -2.60 0.02 0.00 1.07 0.00 0.00 42.92 41.27 3gxd s ASP 467 CO 0.11 -0.57 0.02 -0.69 1.18 0.00 0.00 175.17 175.21 3gxd s VAL 468 N 0.64 3.47 0.36 -1.27 1.01 0.32 -4.90 120.40 120.04 3gxd s VAL 468 Ca 0.60 -0.84 -0.27 0.00 0.00 0.00 0.00 61.98 61.47 3gxd s VAL 468 Cb -0.36 -2.78 -0.09 0.00 0.00 0.00 0.00 36.38 33.15 3gxd s VAL 468 CO 0.34 0.14 1.22 -2.16 0.00 0.00 0.00 175.10 174.63 3gxd s PRO 469 N 1.42 4.24 -0.20 2.72 0.04 -1.26 0.08 135.00 142.05 3gxd s PRO 469 Ca 0.01 2.00 -0.17 0.00 0.04 0.00 0.00 61.00 62.89 3gxd s PRO 469 Cb -0.17 -2.91 0.05 0.00 0.04 0.00 0.00 34.50 31.52 3gxd s PRO 469 CO -0.01 -0.21 0.52 -1.17 0.04 0.00 0.00 177.00 176.18 3gxd s LEU 470 N -2.07 -0.09 0.05 -3.56 2.96 -0.87 -3.81 118.68 111.29 3gxd s LEU 470 Ca 0.52 1.07 0.08 0.00 -0.22 0.00 0.00 54.13 55.58 3gxd s LEU 470 Cb -0.35 1.77 -0.03 0.00 0.50 0.00 0.00 46.19 48.08 3gxd s LEU 470 CO 0.45 -0.19 -0.20 -0.89 -1.32 0.00 0.00 176.35 174.20 3gxd s THR 471 N 0.56 2.64 -0.12 3.68 2.01 -0.38 -1.13 115.64 122.90 3gxd s THR 471 Ca -0.02 -1.28 0.03 0.00 0.31 0.00 0.00 61.69 60.72 3gxd s THR 471 Cb -0.04 -2.11 0.01 0.00 0.01 0.00 0.00 72.50 70.36 3gxd s THR 471 CO -0.03 0.31 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.36 3gxd s ILE 472 N -0.93 1.99 -0.23 1.82 1.01 -0.37 -1.07 121.20 123.42 3gxd s ILE 472 Ca 0.14 -0.95 -0.09 0.00 0.00 0.00 0.00 60.65 59.75 3gxd s ILE 472 Cb -0.10 -1.75 -0.04 0.00 0.01 0.00 0.00 42.46 40.57 3gxd s ILE 472 CO 0.05 0.54 0.12 -0.75 0.00 0.00 0.00 174.94 174.90 3gxd s LYS 473 N 0.68 3.96 -0.32 2.79 2.20 0.61 0.35 119.74 130.01 3gxd s LYS 473 Ca -0.11 -0.33 -0.09 0.00 -0.36 0.00 0.00 55.97 55.08 3gxd s LYS 473 Cb -0.16 -3.41 0.01 0.00 -1.51 0.00 0.00 37.83 32.75 3gxd s LYS 473 CO 0.02 0.07 0.15 0.34 -0.36 0.00 0.00 175.35 175.57 3gxd s ASP 474 N 0.98 5.51 0.32 1.43 -1.08 -0.62 -0.18 116.67 123.03 3gxd s ASP 474 Ca 0.06 -0.70 0.09 0.00 -0.52 0.00 0.00 52.55 51.48 3gxd s ASP 474 Cb -0.14 -1.98 0.86 0.00 -1.46 0.00 0.00 42.92 40.20 3gxd s ASP 474 CO 0.03 -0.25 1.74 -0.65 0.52 0.00 0.00 175.17 176.57 3gxd h PRO 475 N 8.35 0.60 0.00 4.34 0.11 -1.84 0.15 132.00 143.71 3gxd h PRO 475 Ca -0.30 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.75 3gxd h PRO 475 Cb 1.13 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.10 3gxd h PRO 475 CO 0.63 0.40 -0.12 0.00 -0.21 0.00 0.00 178.00 178.70 3gxd h ALA 476 N 1.70 1.47 0.00 -0.75 0.00 -1.94 -3.40 119.26 116.34 3gxd h ALA 476 Ca 0.62 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.43 3gxd h ALA 476 Cb 1.15 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3gxd h ALA 476 CO -0.44 0.15 -0.78 0.28 0.00 0.00 0.00 179.25 178.46 3gxd n VAL 477 N -3.91 0.00 0.00 0.00 0.31 0.01 -5.03 118.33 109.71 3gxd n VAL 477 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 3gxd n VAL 477 Cb 0.21 -0.55 0.00 0.00 -0.91 0.00 0.00 33.84 32.60 3gxd n VAL 477 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3gxd n GLY 478 N 2.99 0.91 3.56 2.92 0.00 0.30 -4.74 105.19 111.14 3gxd n GLY 478 Ca 0.00 -1.90 -0.34 0.00 0.00 0.00 0.00 46.02 43.78 3gxd n GLY 478 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gxd s PHE 479 N -2.73 2.92 -0.44 1.61 0.40 0.33 -1.60 117.98 118.47 3gxd s PHE 479 Ca 0.00 -0.02 -0.07 0.00 -0.60 0.00 0.00 56.93 56.23 3gxd s PHE 479 Cb 0.00 -1.72 0.11 0.00 0.51 0.00 0.00 43.02 41.92 3gxd s PHE 479 CO 0.00 0.29 0.29 -1.17 0.70 0.00 0.00 175.22 175.33 3gxd s LEU 480 N -0.71 5.47 -0.05 -0.37 0.20 0.15 -2.17 118.68 121.21 3gxd s LEU 480 Ca 0.11 -1.89 -0.26 0.00 0.69 0.00 0.00 54.13 52.77 3gxd s LEU 480 Cb -0.11 -1.95 -0.03 0.00 -0.43 0.00 0.00 46.19 43.67 3gxd s LEU 480 CO 0.02 -0.62 0.83 -1.61 -0.29 0.00 0.00 176.35 174.67 3gxd s GLU 481 N 1.30 4.48 0.14 1.98 0.41 -1.26 -1.24 118.70 124.51 3gxd s GLU 481 Ca 0.06 1.12 -0.06 0.00 -0.41 0.00 0.00 54.97 55.68 3gxd s GLU 481 Cb -0.25 -3.46 0.02 0.00 -1.78 0.00 0.00 34.13 28.66 3gxd s GLU 481 CO -0.01 -0.01 0.31 -2.37 -0.49 0.00 0.00 175.26 172.68 3gxd n THR 482 N 3.90 0.00 -4.01 3.63 5.66 -0.28 -5.00 114.28 118.18 3gxd n THR 482 Ca 0.02 -0.36 -0.13 0.00 -3.05 0.00 0.00 64.05 60.53 3gxd n THR 482 Cb 0.51 0.37 -0.13 0.00 -1.55 0.00 0.00 70.33 69.52 3gxd n THR 482 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 3gxd s ILE 483 N -2.63 0.22 -0.36 1.09 1.01 -1.26 -2.04 121.20 117.22 3gxd s ILE 483 Ca 0.06 -0.32 -0.06 0.00 0.00 0.00 0.00 60.65 60.34 3gxd s ILE 483 Cb -0.02 -0.23 0.06 0.00 0.01 0.00 0.00 42.46 42.29 3gxd s ILE 483 CO 0.04 -0.07 0.14 -0.55 0.00 0.00 0.00 174.94 174.50 3gxd s SER 484 N -0.41 5.32 0.74 3.58 0.15 0.11 -4.94 113.70 118.25 3gxd s SER 484 Ca -0.03 -1.39 -0.13 0.00 0.70 0.00 0.00 55.95 55.10 3gxd s SER 484 Cb -0.03 -1.87 0.05 0.00 -1.71 0.00 0.00 66.02 62.46 3gxd s SER 484 CO -0.00 -0.40 1.14 -2.84 1.20 0.00 0.00 173.24 172.34 3gxd s PRO 485 N 1.34 2.20 0.37 5.44 0.02 -1.26 0.12 135.00 143.23 3gxd s PRO 485 Ca 0.00 1.48 -0.25 0.00 0.02 0.00 0.00 61.00 62.26 3gxd s PRO 485 Cb -0.21 -1.87 -0.12 0.00 0.02 0.00 0.00 34.50 32.32 3gxd s PRO 485 CO 0.01 -1.73 0.84 0.41 -0.33 0.00 0.00 177.00 176.20 3gxd n GLY 486 N -0.27 -0.70 3.67 0.52 0.00 -1.17 -3.28 105.19 103.96 3gxd n GLY 486 Ca 0.11 0.18 -0.28 0.00 0.00 0.00 0.00 46.02 46.03 3gxd n GLY 486 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3gxd n TYR 487 N -0.37 -2.00 -4.09 1.61 0.53 0.13 -4.81 117.16 108.16 3gxd n TYR 487 Ca 0.11 0.55 -0.09 0.00 -1.02 0.00 0.00 57.90 57.45 3gxd n TYR 487 Cb 0.36 -3.33 -0.09 0.00 -1.03 0.00 0.00 39.34 35.25 3gxd n TYR 487 CO 0.00 0.00 0.00 -1.54 -1.02 0.00 0.00 176.86 174.30 3gxd s SER 488 N -3.33 0.30 -0.05 7.72 1.04 -1.03 -2.21 113.70 116.15 3gxd s SER 488 Ca 0.35 -1.07 -0.02 0.00 0.48 0.00 0.00 55.95 55.69 3gxd s SER 488 Cb -0.13 0.29 0.04 0.00 0.10 0.00 0.00 66.02 66.32 3gxd s SER 488 CO 0.87 -0.72 0.09 -0.51 0.98 0.00 0.00 173.24 173.95 3gxd s ILE 489 N -3.99 -0.07 -0.07 -1.02 2.07 -0.53 -0.51 121.20 117.07 3gxd s ILE 489 Ca 0.17 0.22 0.01 0.00 -1.41 0.00 0.00 60.65 59.65 3gxd s ILE 489 Cb 0.07 -0.17 -0.03 0.00 0.13 0.00 0.00 42.46 42.46 3gxd s ILE 489 CO -0.03 0.09 -0.09 -1.00 -1.91 0.00 0.00 174.94 172.01 3gxd s HIS 490 N 1.26 2.88 -0.23 3.50 3.76 -0.52 -2.86 115.29 123.07 3gxd s HIS 490 Ca -0.08 -0.08 0.01 0.00 -0.15 0.00 0.00 55.06 54.76 3gxd s HIS 490 Cb -0.12 -1.71 0.04 0.00 1.11 0.00 0.00 32.58 31.89 3gxd s HIS 490 CO -0.05 0.24 -0.12 0.99 -0.85 0.00 0.00 174.74 174.95 3gxd s THR 491 N -0.64 2.31 0.10 1.30 2.01 -0.56 -1.08 115.64 119.08 3gxd s THR 491 Ca 0.10 -1.28 -0.18 0.00 0.31 0.00 0.00 61.69 60.64 3gxd s THR 491 Cb -0.11 -2.20 -0.07 0.00 0.01 0.00 0.00 72.50 70.13 3gxd s THR 491 CO 0.02 0.20 0.57 -0.31 -0.69 0.00 0.00 174.62 174.40 3gxd s TYR 492 N 1.21 3.74 -0.07 4.92 1.51 0.20 -1.18 117.35 127.68 3gxd s TYR 492 Ca -0.03 1.21 -0.04 0.00 -1.01 0.00 0.00 57.07 57.21 3gxd s TYR 492 Cb -0.17 -2.46 0.03 0.00 -0.11 0.00 0.00 41.96 39.25 3gxd s TYR 492 CO -0.07 0.53 0.16 -0.51 -1.11 0.00 0.00 175.55 174.55 3gxd s LEU 493 N -1.42 0.83 -0.07 -1.29 1.43 0.14 -1.90 118.68 116.40 3gxd s LEU 493 Ca 0.32 0.34 -0.23 0.00 -1.03 0.00 0.00 54.13 53.54 3gxd s LEU 493 Cb -0.18 0.46 0.05 0.00 0.03 0.00 0.00 46.19 46.55 3gxd s LEU 493 CO 0.19 -0.13 0.52 -1.66 0.23 0.00 0.00 176.35 175.50 3gxd s TRP 494 N 0.93 -0.47 0.37 0.29 -2.14 -0.93 -0.96 118.94 116.03 3gxd s TRP 494 Ca -0.07 0.87 -0.27 0.00 2.66 0.00 0.00 56.10 59.29 3gxd s TRP 494 Cb -0.09 0.25 -0.09 0.00 -3.10 0.00 0.00 33.47 30.45 3gxd s TRP 494 CO -0.05 -0.47 1.21 -1.01 -2.66 0.00 0.00 176.95 173.97 3gxd s HIS 495 N -0.96 3.09 -0.87 1.66 3.76 -1.26 -0.60 115.29 120.10 3gxd s HIS 495 Ca -0.10 1.52 0.22 0.00 -0.15 0.00 0.00 55.06 56.55 3gxd s HIS 495 Cb -0.03 -3.48 -0.15 0.00 1.11 0.00 0.00 32.58 30.03 3gxd s HIS 495 CO 0.06 -1.46 0.92 0.54 -0.85 0.00 0.00 174.74 173.95 3gxd n ARG 496 N 0.37 0.09 0.00 1.40 1.74 -1.26 -4.71 116.66 114.28 3gxd n ARG 496 Ca 0.03 -0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3gxd n ARG 496 Cb 0.45 -1.51 0.00 0.00 -1.02 0.00 0.00 32.46 30.38 3gxd n ARG 496 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15