#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gxi s ARG 2 N 0.00 1.13 0.65 0.00 0.52 -1.09 -4.92 118.95 115.24 3gxi s ARG 2 Ca 0.00 -0.65 -0.09 0.00 -0.52 0.00 0.00 55.73 54.47 3gxi s ARG 2 Cb 0.00 -1.12 0.01 0.00 0.52 0.00 0.00 34.95 34.36 3gxi s ARG 2 CO 0.00 0.30 1.01 -1.25 0.02 0.00 0.00 175.30 175.37 3gxi s PRO 3 N -0.70 2.94 0.36 3.54 0.04 -1.26 -1.05 135.00 138.86 3gxi s PRO 3 Ca 0.04 0.28 -0.28 0.00 0.04 0.00 0.00 61.00 61.08 3gxi s PRO 3 Cb -0.07 -2.14 -0.12 0.00 0.04 0.00 0.00 34.50 32.22 3gxi s PRO 3 CO 0.00 -0.85 1.43 0.00 0.04 0.00 0.00 177.00 177.62 3gxi s ILE 5 N -0.98 5.08 0.40 0.00 1.09 -1.26 -5.00 121.20 120.52 3gxi s ILE 5 Ca 0.55 -0.70 -0.23 0.00 -1.10 0.00 0.00 60.65 59.18 3gxi s ILE 5 Cb -0.51 -4.16 -0.11 0.00 -1.06 0.00 0.00 42.46 36.62 3gxi s ILE 5 CO 0.62 -0.62 0.95 -2.16 -0.10 0.00 0.00 174.94 173.63 3gxi s PRO 6 N 2.09 4.33 -0.11 2.79 0.04 -1.26 -0.74 135.00 142.15 3gxi s PRO 6 Ca 0.10 1.20 -0.07 0.00 0.04 0.00 0.00 61.00 62.27 3gxi s PRO 6 Cb -0.21 -2.39 0.04 0.00 0.04 0.00 0.00 34.50 31.99 3gxi s PRO 6 CO 0.10 0.06 0.26 0.21 0.04 0.00 0.00 177.00 177.67 3gxi s LYS 7 N -2.80 0.26 -0.07 4.56 2.20 -0.57 -4.90 119.74 118.41 3gxi s LYS 7 Ca 0.58 0.47 -0.05 0.00 -0.36 0.00 0.00 55.97 56.61 3gxi s LYS 7 Cb -0.13 0.00 -0.04 0.00 -1.51 0.00 0.00 37.83 36.15 3gxi s LYS 7 CO 0.17 -0.11 0.15 0.45 -0.36 0.00 0.00 175.35 175.65 3gxi s SER 8 N 0.78 6.34 -0.11 1.43 0.15 -1.26 -1.51 113.70 119.53 3gxi s SER 8 Ca -0.05 0.41 0.15 0.00 0.70 0.00 0.00 55.95 57.15 3gxi s SER 8 Cb -0.07 -2.02 0.29 0.00 -1.71 0.00 0.00 66.02 62.51 3gxi s SER 8 CO -0.05 0.35 1.18 0.49 1.20 0.00 0.00 173.24 176.41 3gxi n PHE 9 N 1.55 0.21 -0.45 3.44 3.01 -1.26 -4.97 117.46 119.00 3gxi n PHE 9 Ca -0.16 -0.86 0.00 0.00 1.01 0.00 0.00 57.45 57.44 3gxi n PHE 9 Cb 0.54 -0.16 0.00 0.00 -0.01 0.00 0.00 39.48 39.85 3gxi n PHE 9 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3gxi n GLY 10 N -0.99 0.74 0.00 1.37 0.00 -1.26 -4.94 105.19 100.11 3gxi n GLY 10 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3gxi n GLY 10 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3gxi n TYR 11 N -2.13 -3.07 0.28 1.61 4.02 -1.26 -5.00 117.16 111.61 3gxi n TYR 11 Ca 0.00 0.00 0.15 0.00 -0.01 0.00 0.00 57.90 58.04 3gxi n TYR 11 Cb 0.00 0.00 0.82 0.00 -0.02 0.00 0.00 39.34 40.14 3gxi n TYR 11 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 3gxi h SER 12 N 0.00 0.00 -2.14 7.72 4.64 -1.90 -3.46 113.55 118.40 3gxi h SER 12 Ca 0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 3gxi h SER 12 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 3gxi h SER 12 CO 0.00 0.07 -0.04 -0.24 -0.87 0.00 0.00 176.83 175.75 3gxi n SER 13 N -3.52 -0.12 -4.79 4.97 2.88 0.03 -4.82 113.62 108.25 3gxi n SER 13 Ca -0.02 -1.25 -0.23 0.00 -1.33 0.00 0.00 58.87 56.04 3gxi n SER 13 Cb 0.20 0.25 -0.05 0.00 -0.75 0.00 0.00 64.21 63.86 3gxi n SER 13 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 3gxi s VAL 14 N -2.30 4.29 0.25 2.46 -7.23 -1.26 -4.50 120.40 112.12 3gxi s VAL 14 Ca 0.04 -1.42 0.05 0.00 -1.81 0.00 0.00 61.98 58.84 3gxi s VAL 14 Cb 0.00 -3.29 -0.03 0.00 0.56 0.00 0.00 36.38 33.62 3gxi s VAL 14 CO 0.03 -0.30 0.38 0.68 -0.31 0.00 0.00 175.10 175.58 3gxi s VAL 15 N -2.08 5.22 -0.24 1.32 -7.23 -0.57 -4.42 120.40 112.41 3gxi s VAL 15 Ca 0.32 -0.95 -0.10 0.00 -1.81 0.00 0.00 61.98 59.45 3gxi s VAL 15 Cb -0.08 -3.85 -0.05 0.00 0.56 0.00 0.00 36.38 32.96 3gxi s VAL 15 CO 0.24 -0.35 0.14 0.00 -0.31 0.00 0.00 175.10 174.82 3gxi s VAL 17 N 1.12 5.13 0.20 0.00 1.01 0.08 -0.88 120.40 127.08 3gxi s VAL 17 Ca 0.07 0.91 0.11 0.00 0.00 0.00 0.00 61.98 63.06 3gxi s VAL 17 Cb -0.14 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 3gxi s VAL 17 CO 0.05 0.21 -0.22 0.00 0.00 0.00 0.00 175.10 175.13 3gxi n ASN 19 N 0.09 0.00 0.28 0.00 0.23 -0.37 -0.71 115.26 114.78 3gxi n ASN 19 Ca -0.11 -0.26 0.17 0.00 -0.53 0.00 0.00 54.58 53.84 3gxi n ASN 19 Cb 0.57 0.00 0.76 0.00 -2.08 0.00 0.00 39.78 39.03 3gxi n ASN 19 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3gxi h ALA 20 N 1.50 1.05 -0.00 -2.53 0.00 -1.90 -3.18 119.26 114.20 3gxi h ALA 20 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3gxi h ALA 20 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3gxi h ALA 20 CO 0.00 0.07 -0.00 0.25 0.00 0.00 0.00 179.25 179.56 3gxi n THR 21 N -3.22 0.00 -3.72 0.00 -2.24 -1.26 -4.10 114.28 99.74 3gxi n THR 21 Ca -0.01 -0.50 -0.15 0.00 -2.27 0.00 0.00 64.05 61.13 3gxi n THR 21 Cb 0.27 1.00 -0.15 0.00 -2.10 0.00 0.00 70.33 69.35 3gxi n THR 21 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3gxi s TYR 22 N -0.72 -0.18 -0.06 4.78 5.04 -1.20 -5.14 117.35 119.87 3gxi s TYR 22 Ca 0.00 0.54 -0.14 0.00 -2.44 0.00 0.00 57.07 55.03 3gxi s TYR 22 Cb 0.00 -0.14 0.03 0.00 0.35 0.00 0.00 41.96 42.20 3gxi s TYR 22 CO 0.00 -0.21 0.33 0.00 -1.34 0.00 0.00 175.55 174.33 3gxi s ASP 24 N -0.68 6.72 0.19 0.00 -4.77 -1.26 -4.65 116.67 112.22 3gxi s ASP 24 Ca -0.08 2.63 -0.12 0.00 -3.30 0.00 0.00 52.55 51.68 3gxi s ASP 24 Cb -0.04 -2.64 0.00 0.00 -1.09 0.00 0.00 42.92 39.15 3gxi s ASP 24 CO 0.03 -0.56 0.39 -0.94 0.70 0.00 0.00 175.17 174.79 3gxi s SER 25 N -0.60 -0.07 0.20 2.11 1.04 -0.21 -4.90 113.70 111.26 3gxi s SER 25 Ca 0.50 -0.77 0.06 0.00 0.48 0.00 0.00 55.95 56.21 3gxi s SER 25 Cb -0.38 0.51 -0.04 0.00 0.10 0.00 0.00 66.02 66.21 3gxi s SER 25 CO 0.50 -0.99 0.18 -0.36 0.98 0.00 0.00 173.24 173.55 3gxi s PHE 26 N -3.95 3.17 0.87 5.02 0.40 -0.45 -2.67 117.98 120.37 3gxi s PHE 26 Ca 0.16 -0.04 -0.12 0.00 -0.60 0.00 0.00 56.93 56.33 3gxi s PHE 26 Cb 0.01 -1.49 0.11 0.00 0.51 0.00 0.00 43.02 42.17 3gxi s PHE 26 CO 0.01 0.52 1.11 -0.51 0.70 0.00 0.00 175.22 177.05 3gxi s ASP 27 N -3.40 3.82 0.53 1.36 1.01 -1.26 -4.45 116.67 114.28 3gxi s ASP 27 Ca 0.32 1.23 -0.22 0.00 0.71 0.00 0.00 52.55 54.59 3gxi s ASP 27 Cb -0.09 -1.90 -0.06 0.00 1.01 0.00 0.00 42.92 41.88 3gxi s ASP 27 CO 0.24 -2.39 1.26 -2.65 0.21 0.00 0.00 175.17 171.85 3gxi n PRO 28 N -3.69 1.57 -2.01 8.23 -0.02 -1.26 -4.80 135.00 133.01 3gxi n PRO 28 Ca 0.07 0.58 -0.41 0.00 -2.02 0.00 0.00 63.50 61.71 3gxi n PRO 28 Cb 0.57 -2.44 -0.02 0.00 -0.02 0.00 0.00 33.50 31.59 3gxi n PRO 28 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3gxi s PRO 29 N -2.71 4.27 0.04 0.52 0.04 -1.26 -5.05 135.00 130.85 3gxi s PRO 29 Ca 0.70 2.31 0.04 0.00 0.04 0.00 0.00 61.00 64.09 3gxi s PRO 29 Cb -0.44 -3.09 -0.02 0.00 0.04 0.00 0.00 34.50 30.99 3gxi s PRO 29 CO 0.51 -0.38 -0.11 0.95 0.04 0.00 0.00 177.00 178.00 3gxi s THR 30 N -0.32 0.87 0.42 1.26 -4.23 -1.26 -5.14 115.64 107.24 3gxi s THR 30 Ca 0.57 -0.94 -0.22 0.00 -1.18 0.00 0.00 61.69 59.92 3gxi s THR 30 Cb -0.42 -0.82 -0.10 0.00 1.34 0.00 0.00 72.50 72.50 3gxi s THR 30 CO 0.47 -0.10 0.99 0.72 -0.54 0.00 0.00 174.62 176.15 3gxi s PHE 31 N -0.92 3.29 0.32 3.99 -0.71 -1.26 -4.99 117.98 117.69 3gxi s PHE 31 Ca -0.02 1.64 -0.27 0.00 -1.04 0.00 0.00 56.93 57.24 3gxi s PHE 31 Cb -0.08 -2.96 -0.09 0.00 -1.21 0.00 0.00 43.02 38.68 3gxi s PHE 31 CO 0.01 -0.31 1.02 -1.25 -1.34 0.00 0.00 175.22 173.35 3gxi s PRO 32 N -2.89 4.53 0.44 1.99 0.04 -1.26 -4.97 135.00 132.88 3gxi s PRO 32 Ca 0.61 1.56 -0.23 0.00 0.04 0.00 0.00 61.00 62.97 3gxi s PRO 32 Cb -0.14 -2.93 -0.11 0.00 0.04 0.00 0.00 34.50 31.36 3gxi s PRO 32 CO 0.19 0.18 0.87 0.00 0.04 0.00 0.00 177.00 178.28 3gxi n ALA 33 N 0.74 -0.33 -1.63 8.56 0.00 -1.26 -4.52 120.51 122.08 3gxi n ALA 33 Ca 0.01 0.19 -0.44 0.00 0.00 0.00 0.00 53.44 53.20 3gxi n ALA 33 Cb 0.48 -1.99 -0.01 0.00 0.00 0.00 0.00 19.45 17.92 3gxi n ALA 33 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3gxi n LEU 34 N 0.60 2.52 0.00 0.00 7.94 -1.26 -1.22 117.00 125.58 3gxi n LEU 34 Ca 0.10 1.19 0.00 0.00 -1.11 0.00 0.00 56.01 56.19 3gxi n LEU 34 Cb 0.40 -1.37 0.00 0.00 0.53 0.00 0.00 43.42 42.98 3gxi n LEU 34 CO 0.55 -1.01 0.00 0.61 -1.11 0.00 0.00 177.39 176.44 3gxi n GLY 35 N 1.11 0.82 3.21 -3.96 0.00 -1.26 -5.03 105.19 100.07 3gxi n GLY 35 Ca 0.08 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.98 3gxi n GLY 35 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gxi s THR 36 N -3.20 0.67 0.08 2.61 -4.23 -0.36 -0.70 115.64 110.51 3gxi s THR 36 Ca 0.00 -1.96 0.07 0.00 -1.18 0.00 0.00 61.69 58.62 3gxi s THR 36 Cb 0.00 -1.94 -0.03 0.00 1.34 0.00 0.00 72.50 71.87 3gxi s THR 36 CO 0.00 -0.64 -0.19 0.72 -0.54 0.00 0.00 174.62 173.97 3gxi s PHE 37 N -3.66 1.62 -0.02 3.99 -0.12 -0.02 -4.51 117.98 115.27 3gxi s PHE 37 Ca 0.19 -0.42 -0.08 0.00 -0.05 0.00 0.00 56.93 56.57 3gxi s PHE 37 Cb 0.06 -0.90 -0.05 0.00 -0.63 0.00 0.00 43.02 41.49 3gxi s PHE 37 CO 0.00 0.15 0.27 -1.12 -0.05 0.00 0.00 175.22 174.47 3gxi s SER 38 N -1.74 6.53 -0.06 1.98 0.01 0.36 -1.66 113.70 119.11 3gxi s SER 38 Ca 0.04 0.61 0.02 0.00 1.31 0.00 0.00 55.95 57.93 3gxi s SER 38 Cb -0.10 -2.11 0.01 0.00 0.21 0.00 0.00 66.02 64.03 3gxi s SER 38 CO 0.03 0.29 -0.11 -0.60 0.41 0.00 0.00 173.24 173.27 3gxi s ARG 39 N -1.52 1.57 -0.13 12.44 3.52 0.36 -1.23 118.95 133.95 3gxi s ARG 39 Ca 0.25 -0.36 -0.04 0.00 -0.13 0.00 0.00 55.73 55.45 3gxi s ARG 39 Cb -0.13 -1.34 -0.03 0.00 -1.56 0.00 0.00 34.95 31.89 3gxi s ARG 39 CO 0.13 -0.00 0.01 0.71 -0.81 0.00 0.00 175.30 175.34 3gxi s TYR 40 N 0.75 3.14 -0.04 5.12 1.51 0.19 -0.77 117.35 127.25 3gxi s TYR 40 Ca -0.13 -0.00 0.03 0.00 -1.01 0.00 0.00 57.07 55.95 3gxi s TYR 40 Cb -0.15 -1.92 0.01 0.00 -0.11 0.00 0.00 41.96 39.78 3gxi s TYR 40 CO 0.03 0.22 -0.11 -2.00 -1.11 0.00 0.00 175.55 172.58 3gxi s GLU 41 N -0.14 1.30 0.00 -0.62 2.12 -0.14 -1.37 118.70 119.85 3gxi s GLU 41 Ca 0.05 -0.36 0.08 0.00 0.36 0.00 0.00 54.97 55.10 3gxi s GLU 41 Cb -0.13 -1.15 -0.02 0.00 0.26 0.00 0.00 34.13 33.10 3gxi s GLU 41 CO 0.02 0.08 -0.25 -1.12 -0.54 0.00 0.00 175.26 173.45 3gxi s SER 42 N 0.40 3.20 0.07 -1.70 0.01 -0.39 -1.03 113.70 114.26 3gxi s SER 42 Ca -0.08 -0.48 0.02 0.00 1.31 0.00 0.00 55.95 56.72 3gxi s SER 42 Cb -0.12 -0.38 -0.03 0.00 0.21 0.00 0.00 66.02 65.70 3gxi s SER 42 CO 0.02 0.30 -0.08 0.42 0.41 0.00 0.00 173.24 174.31 3gxi s THR 43 N -0.70 0.66 0.42 1.44 -4.23 -0.59 -1.28 115.64 111.37 3gxi s THR 43 Ca 0.11 -1.51 0.09 0.00 -1.18 0.00 0.00 61.69 59.20 3gxi s THR 43 Cb -0.10 -1.15 0.28 0.00 1.34 0.00 0.00 72.50 72.87 3gxi s THR 43 CO 0.00 -0.61 2.04 -0.09 -0.54 0.00 0.00 174.62 175.43 3gxi h ARG 44 N 3.74 0.49 0.00 3.99 2.43 -1.71 -0.59 114.38 122.74 3gxi h ARG 44 Ca -0.36 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.78 3gxi h ARG 44 Cb 1.18 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.62 3gxi h ARG 44 CO 0.52 0.33 0.00 -1.13 -1.51 0.00 0.00 179.97 178.18 3gxi n SER 45 N -4.48 0.39 0.00 -3.80 3.41 -1.26 -4.61 113.62 103.28 3gxi n SER 45 Ca 0.05 0.64 0.00 0.00 -0.26 0.00 0.00 58.87 59.29 3gxi n SER 45 Cb 0.13 -0.70 0.00 0.00 -0.26 0.00 0.00 64.21 63.38 3gxi n SER 45 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gxi n GLY 46 N -0.67 0.11 3.76 5.00 0.00 -0.23 -5.03 105.19 108.13 3gxi n GLY 46 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 3gxi n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gxi s ARG 47 N 0.00 4.54 -0.29 1.61 0.52 -1.23 -4.86 118.95 119.24 3gxi s ARG 47 Ca 0.00 1.83 -0.01 0.00 -0.52 0.00 0.00 55.73 57.03 3gxi s ARG 47 Cb 0.00 -3.10 0.09 0.00 0.52 0.00 0.00 34.95 32.47 3gxi s ARG 47 CO 0.00 0.11 0.08 1.03 0.02 0.00 0.00 175.30 176.54 3gxi s ARG 48 N -1.62 0.75 -1.42 3.54 1.81 -1.25 -1.54 118.95 119.22 3gxi s ARG 48 Ca 0.47 -0.99 -0.06 0.00 -1.72 0.00 0.00 55.73 53.43 3gxi s ARG 48 Cb -0.32 -2.03 0.00 0.00 -0.45 0.00 0.00 34.95 32.16 3gxi s ARG 48 CO 0.41 -0.93 0.31 -1.33 -0.68 0.00 0.00 175.30 173.09 3gxi n MET 49 N 4.86 -1.84 -2.87 3.54 2.81 -0.65 -4.89 117.12 118.09 3gxi n MET 49 Ca -0.03 0.24 -0.40 0.00 -1.81 0.00 0.00 57.70 55.70 3gxi n MET 49 Cb 0.43 -3.88 -0.05 0.00 -0.71 0.00 0.00 33.22 29.01 3gxi n MET 49 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 3gxi s GLU 50 N -6.94 4.58 -0.09 0.03 2.12 -0.20 -4.65 118.70 113.55 3gxi s GLU 50 Ca 0.10 1.24 -0.13 0.00 0.36 0.00 0.00 54.97 56.53 3gxi s GLU 50 Cb -0.05 -3.38 -0.05 0.00 0.26 0.00 0.00 34.13 30.92 3gxi s GLU 50 CO 0.94 0.23 0.31 -1.17 -0.54 0.00 0.00 175.26 175.03 3gxi s LEU 51 N 0.05 4.36 0.28 2.70 2.96 -1.26 -0.96 118.68 126.81 3gxi s LEU 51 Ca 0.43 0.68 -0.01 0.00 -0.22 0.00 0.00 54.13 55.00 3gxi s LEU 51 Cb -0.22 -2.40 -0.02 0.00 0.50 0.00 0.00 46.19 44.05 3gxi s LEU 51 CO 0.26 0.24 0.31 -0.94 -1.32 0.00 0.00 176.35 174.90 3gxi s SER 52 N -0.39 0.75 0.01 3.68 1.04 0.05 -5.00 113.70 113.82 3gxi s SER 52 Ca 0.19 -1.45 -0.02 0.00 0.48 0.00 0.00 55.95 55.14 3gxi s SER 52 Cb -0.14 0.54 -0.01 0.00 0.10 0.00 0.00 66.02 66.51 3gxi s SER 52 CO 0.08 -1.07 0.04 -0.32 0.98 0.00 0.00 173.24 172.94 3gxi s MET 53 N -3.64 0.30 0.29 4.02 1.75 -1.26 -0.48 119.30 120.27 3gxi s MET 53 Ca 0.35 -0.38 -0.02 0.00 -1.25 0.00 0.00 55.69 54.39 3gxi s MET 53 Cb 0.03 0.12 -0.02 0.00 2.84 0.00 0.00 34.83 37.80 3gxi s MET 53 CO 0.18 -0.06 0.35 0.20 -0.65 0.00 0.00 175.02 175.04 3gxi s GLY 54 N -1.08 1.50 0.31 2.11 0.00 -0.66 -4.98 107.32 104.51 3gxi s GLY 54 Ca -0.12 -1.58 -0.21 0.00 0.00 0.00 0.00 44.72 42.82 3gxi s GLY 54 CO -0.00 -1.14 0.83 2.56 0.00 0.00 0.00 173.10 175.35 3gxi s PRO 55 N -3.58 4.29 -0.25 2.90 0.04 -1.26 -0.84 135.00 136.30 3gxi s PRO 55 Ca 0.33 1.00 -0.20 0.00 0.04 0.00 0.00 61.00 62.18 3gxi s PRO 55 Cb 0.02 -2.65 -0.02 0.00 0.04 0.00 0.00 34.50 31.89 3gxi s PRO 55 CO 0.18 0.24 0.61 0.42 0.04 0.00 0.00 177.00 178.49 3gxi s ILE 56 N -1.75 5.00 0.18 0.56 1.01 0.12 -4.60 121.20 121.71 3gxi s ILE 56 Ca 0.51 1.09 -0.01 0.00 0.00 0.00 0.00 60.65 62.24 3gxi s ILE 56 Cb -0.15 -3.92 -0.04 0.00 0.01 0.00 0.00 42.46 38.36 3gxi s ILE 56 CO 0.20 0.04 0.37 -1.10 0.00 0.00 0.00 174.94 174.44 3gxi s GLN 57 N 2.45 3.53 0.33 2.79 -0.21 -0.03 -4.79 119.66 123.73 3gxi s GLN 57 Ca 0.25 -0.31 0.18 0.00 0.02 0.00 0.00 55.36 55.51 3gxi s GLN 57 Cb -0.16 -2.86 0.16 0.00 1.00 0.00 0.00 33.01 31.15 3gxi s GLN 57 CO 0.09 0.44 1.50 0.00 -2.12 0.00 0.00 175.29 175.19 3gxi h ALA 58 N 2.27 0.79 -2.63 6.09 0.00 -1.87 0.61 119.26 124.51 3gxi h ALA 58 Ca -0.47 -0.30 -0.25 0.00 0.00 0.00 0.00 54.91 53.89 3gxi h ALA 58 Cb 1.18 -0.05 -0.17 0.00 0.00 0.00 0.00 17.79 18.75 3gxi h ALA 58 CO 0.70 0.41 -0.71 -0.80 0.00 0.00 0.00 179.25 178.84 3gxi s ASN 59 N -6.37 1.05 -0.19 0.00 -0.87 -1.26 -4.76 114.94 102.54 3gxi s ASN 59 Ca 0.05 -0.82 -0.13 0.00 -1.57 0.00 0.00 52.86 50.39 3gxi s ASN 59 Cb 0.07 0.07 0.06 0.00 -0.02 0.00 0.00 41.25 41.42 3gxi s ASN 59 CO 0.72 -0.35 0.48 -2.28 -2.57 0.00 0.00 177.10 173.10 3gxi s HIS 60 N -2.67 -0.63 0.29 2.20 5.65 -1.26 -4.82 115.29 114.03 3gxi s HIS 60 Ca 0.03 1.41 0.04 0.00 0.25 0.00 0.00 55.06 56.79 3gxi s HIS 60 Cb -0.01 0.28 -0.06 0.00 -1.18 0.00 0.00 32.58 31.61 3gxi s HIS 60 CO -0.02 -0.33 0.03 0.95 -0.65 0.00 0.00 174.74 174.71 3gxi s THR 61 N 0.94 1.17 0.00 0.89 -4.23 -1.26 -5.13 115.64 108.01 3gxi s THR 61 Ca -0.05 -2.03 0.00 0.00 -1.18 0.00 0.00 61.69 58.43 3gxi s THR 61 Cb -0.06 -2.60 0.00 0.00 1.34 0.00 0.00 72.50 71.18 3gxi s THR 61 CO -0.08 -0.14 0.00 0.61 -0.54 0.00 0.00 174.62 174.47 3gxi n GLY 62 N -0.58 2.31 1.03 3.99 0.00 -1.26 -4.87 105.19 105.81 3gxi n GLY 62 Ca -0.03 -2.04 0.08 0.00 0.00 0.00 0.00 46.02 44.02 3gxi n GLY 62 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3gxi n THR 63 N 0.22 2.01 -1.16 2.61 -2.24 -1.26 -5.02 114.28 109.44 3gxi n THR 63 Ca 0.00 -1.56 -0.29 0.00 -2.27 0.00 0.00 64.05 59.93 3gxi n THR 63 Cb 0.00 -0.05 0.19 0.00 -2.10 0.00 0.00 70.33 68.37 3gxi n THR 63 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3gxi s GLY 64 N -1.49 1.57 0.25 3.38 0.00 -1.26 -4.95 107.32 104.82 3gxi s GLY 64 Ca 0.40 -0.51 -0.30 0.00 0.00 0.00 0.00 44.72 44.32 3gxi s GLY 64 CO 0.13 0.17 1.46 -2.27 0.00 0.00 0.00 173.10 172.59 3gxi s LEU 65 N -6.56 4.38 -0.12 0.66 2.96 -1.26 -4.92 118.68 113.82 3gxi s LEU 65 Ca 0.67 2.70 0.01 0.00 -0.22 0.00 0.00 54.13 57.28 3gxi s LEU 65 Cb -0.17 -3.62 0.02 0.00 0.50 0.00 0.00 46.19 42.92 3gxi s LEU 65 CO 0.57 -0.73 -0.15 -0.22 -1.32 0.00 0.00 176.35 174.50 3gxi s LEU 66 N -0.30 1.70 -0.25 -0.68 2.96 -1.26 -1.90 118.68 118.95 3gxi s LEU 66 Ca 0.60 -0.44 -0.09 0.00 -0.22 0.00 0.00 54.13 53.99 3gxi s LEU 66 Cb -0.43 -1.10 -0.04 0.00 0.50 0.00 0.00 46.19 45.12 3gxi s LEU 66 CO 0.43 -0.00 0.12 -0.76 -1.32 0.00 0.00 176.35 174.82 3gxi s LEU 67 N 1.11 3.77 -0.20 -0.68 1.43 -0.07 -0.56 118.68 123.48 3gxi s LEU 67 Ca -0.04 -0.07 -0.06 0.00 -1.03 0.00 0.00 54.13 52.94 3gxi s LEU 67 Cb -0.14 -2.02 -0.03 0.00 0.03 0.00 0.00 46.19 44.02 3gxi s LEU 67 CO -0.04 -0.01 0.03 -0.89 0.23 0.00 0.00 176.35 175.68 3gxi s THR 68 N 1.47 4.26 0.28 5.49 2.01 0.05 -0.70 115.64 128.50 3gxi s THR 68 Ca 0.06 -0.21 -0.30 0.00 0.31 0.00 0.00 61.69 61.56 3gxi s THR 68 Cb -0.15 -2.93 -0.10 0.00 0.01 0.00 0.00 72.50 69.32 3gxi s THR 68 CO 0.06 0.42 1.45 -0.22 -0.69 0.00 0.00 174.62 175.64 3gxi s LEU 69 N 0.89 4.38 -0.74 4.42 2.96 0.35 -1.26 118.68 129.69 3gxi s LEU 69 Ca 0.02 2.75 0.04 0.00 -0.22 0.00 0.00 54.13 56.72 3gxi s LEU 69 Cb -0.14 -3.63 0.19 0.00 0.50 0.00 0.00 46.19 43.10 3gxi s LEU 69 CO 0.02 -0.73 0.58 0.00 -1.32 0.00 0.00 176.35 174.91 3gxi n GLN 70 N 1.91 2.08 0.27 1.98 6.02 0.07 -4.71 117.38 125.01 3gxi n GLN 70 Ca 0.05 -4.52 0.19 0.00 -0.01 0.00 0.00 57.00 52.71 3gxi n GLN 70 Cb 0.40 -2.31 0.97 0.00 1.02 0.00 0.00 30.24 30.32 3gxi n GLN 70 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 3gxi h PRO 71 N 5.34 0.00 -0.02 -1.09 0.13 -1.94 -0.72 132.00 133.70 3gxi h PRO 71 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 3gxi h PRO 71 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 3gxi h PRO 71 CO 0.76 0.00 -0.03 0.39 -0.23 0.00 0.00 178.00 178.89 3gxi n GLU 72 N -2.80 2.01 -3.33 0.86 -0.58 -1.26 -4.58 120.64 110.96 3gxi n GLU 72 Ca -0.02 -1.53 -0.46 0.00 -0.42 0.00 0.00 57.16 54.74 3gxi n GLU 72 Cb 0.08 -1.47 -0.05 0.00 -0.57 0.00 0.00 31.44 29.43 3gxi n GLU 72 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 3gxi s GLN 73 N -2.04 2.95 -0.16 3.49 -0.21 -0.29 -5.05 119.66 118.35 3gxi s GLN 73 Ca 0.31 -1.71 -0.06 0.00 0.02 0.00 0.00 55.36 53.91 3gxi s GLN 73 Cb 0.20 -4.27 -0.04 0.00 1.00 0.00 0.00 33.01 29.91 3gxi s GLN 73 CO 0.33 -1.32 0.05 0.15 -2.12 0.00 0.00 175.29 172.38 3gxi s LYS 74 N 1.58 3.75 0.00 2.91 1.02 -1.26 -1.63 119.74 126.11 3gxi s LYS 74 Ca 0.03 -0.36 0.00 0.00 0.02 0.00 0.00 55.97 55.67 3gxi s LYS 74 Cb -0.30 -3.11 0.00 0.00 -0.52 0.00 0.00 37.83 33.90 3gxi s LYS 74 CO 0.03 0.38 0.00 1.19 -0.92 0.00 0.00 175.35 176.02 3gxi n PHE 75 N 3.19 0.00 -2.29 3.18 3.01 0.39 -5.01 117.46 119.93 3gxi n PHE 75 Ca -0.17 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 57.94 3gxi n PHE 75 Cb 0.53 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 39.99 3gxi n PHE 75 CO 0.00 0.00 0.00 1.14 1.01 0.00 0.00 176.76 178.91 3gxi s GLN 76 N 4.67 3.43 0.06 -1.08 0.00 -1.26 -4.61 119.66 120.86 3gxi s GLN 76 Ca 0.00 1.52 -0.18 0.00 -0.00 0.00 0.00 55.36 56.70 3gxi s GLN 76 Cb 0.00 -2.03 -0.06 0.00 0.00 0.00 0.00 33.01 30.92 3gxi s GLN 76 CO 0.00 -0.77 0.53 0.15 0.00 0.00 0.00 175.29 175.20 3gxi s LYS 77 N -3.35 4.13 0.02 9.60 1.02 -1.26 -0.77 119.74 129.13 3gxi s LYS 77 Ca 0.71 0.66 -0.29 0.00 0.02 0.00 0.00 55.97 57.07 3gxi s LYS 77 Cb -0.21 -3.23 -0.04 0.00 -0.52 0.00 0.00 37.83 33.82 3gxi s LYS 77 CO 0.26 0.65 0.91 0.08 -0.92 0.00 0.00 175.35 176.34 3gxi s VAL 78 N -1.11 4.78 -0.12 3.17 1.01 0.19 -4.74 120.40 123.59 3gxi s VAL 78 Ca 0.28 1.93 -0.19 0.00 0.00 0.00 0.00 61.98 64.00 3gxi s VAL 78 Cb -0.19 -4.26 -0.26 0.00 0.00 0.00 0.00 36.38 31.67 3gxi s VAL 78 CO 0.18 0.24 0.59 0.50 0.00 0.00 0.00 175.10 176.60 3gxi h LYS 79 N 6.36 0.18 0.00 2.72 1.63 0.23 -1.36 116.57 126.32 3gxi h LYS 79 Ca -0.42 -0.31 0.00 0.00 -0.85 0.00 0.00 60.65 59.07 3gxi h LYS 79 Cb 1.21 0.12 0.00 0.00 -0.60 0.00 0.00 32.23 32.96 3gxi h LYS 79 CO 0.74 1.15 0.00 0.41 -3.45 0.00 0.00 179.45 178.30 3gxi n GLY 80 N 1.67 -0.27 2.99 5.01 0.00 -1.13 -4.44 105.19 109.02 3gxi n GLY 80 Ca -0.22 -1.48 -0.12 0.00 0.00 0.00 0.00 46.02 44.20 3gxi n GLY 80 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gxi s PHE 81 N -2.72 -0.02 0.00 1.61 0.40 -1.26 -2.39 117.98 113.60 3gxi s PHE 81 Ca 0.00 0.06 0.00 0.00 -0.60 0.00 0.00 56.93 56.39 3gxi s PHE 81 Cb 0.00 -0.01 0.00 0.00 0.51 0.00 0.00 43.02 43.52 3gxi s PHE 81 CO 0.00 -0.11 0.00 0.41 0.70 0.00 0.00 175.22 176.22 3gxi n GLY 82 N 2.55 1.53 1.51 4.36 0.00 -1.09 -0.61 105.19 113.44 3gxi n GLY 82 Ca -0.16 -0.40 -0.04 0.00 0.00 0.00 0.00 46.02 45.42 3gxi n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gxi n GLY 83 N 0.00 1.80 3.54 -0.02 0.00 -1.14 -0.14 105.19 109.22 3gxi n GLY 83 Ca 0.00 -1.18 -0.36 0.00 0.00 0.00 0.00 46.02 44.48 3gxi n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gxi s ALA 84 N -1.56 3.30 -1.40 4.61 0.00 -0.09 -1.17 121.76 125.45 3gxi s ALA 84 Ca 0.08 -0.97 -0.15 0.00 0.00 0.00 0.00 51.96 50.92 3gxi s ALA 84 Cb -0.02 -2.05 0.06 0.00 0.00 0.00 0.00 23.12 21.11 3gxi s ALA 84 CO 0.06 -0.21 2.05 -0.12 0.00 0.00 0.00 175.76 177.53 3gxi n MET 85 N 4.35 3.00 -1.39 0.00 1.56 0.07 -1.66 117.12 123.05 3gxi n MET 85 Ca -0.16 -2.87 -0.29 0.00 -0.27 0.00 0.00 57.70 54.11 3gxi n MET 85 Cb 0.52 -3.33 0.14 0.00 2.15 0.00 0.00 33.22 32.69 3gxi n MET 85 CO 0.00 0.00 0.00 0.95 -0.73 0.00 0.00 175.97 176.19 3gxi s THR 86 N 3.36 2.30 0.18 1.12 -4.23 -1.26 -4.43 115.64 112.68 3gxi s THR 86 Ca 0.49 0.10 -0.13 0.00 -1.18 0.00 0.00 61.69 60.96 3gxi s THR 86 Cb 0.10 -2.74 0.08 0.00 1.34 0.00 0.00 72.50 71.29 3gxi s THR 86 CO -0.03 -0.13 1.75 0.44 -0.54 0.00 0.00 174.62 176.11 3gxi h ASP 87 N -1.55 0.17 -0.64 3.99 3.32 -1.92 0.20 116.42 119.98 3gxi h ASP 87 Ca -0.51 0.06 0.04 0.00 0.02 0.00 0.00 57.03 56.64 3gxi h ASP 87 Cb 1.31 0.04 -0.05 0.00 0.22 0.00 0.00 39.33 40.86 3gxi h ASP 87 CO 0.59 0.12 0.38 0.00 -1.72 0.00 0.00 179.24 178.61 3gxi h ALA 88 N 1.32 0.85 -0.24 3.45 0.00 -1.45 -0.42 119.26 122.77 3gxi h ALA 88 Ca 0.23 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 3gxi h ALA 88 Cb 0.24 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3gxi h ALA 88 CO -0.24 0.09 -0.01 0.00 0.00 0.00 0.00 179.25 179.09 3gxi h ALA 89 N 1.31 0.32 -0.38 0.00 0.00 -1.49 -1.96 119.26 117.07 3gxi h ALA 89 Ca 0.27 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 3gxi h ALA 89 Cb 0.10 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3gxi h ALA 89 CO -0.14 0.07 -0.21 0.00 0.00 0.00 0.00 179.25 178.97 3gxi h ALA 90 N 0.79 0.93 -0.21 0.00 0.00 -0.79 -2.13 119.26 117.85 3gxi h ALA 90 Ca 0.07 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 3gxi h ALA 90 Cb 0.44 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3gxi h ALA 90 CO 0.01 0.61 0.05 1.25 0.00 0.00 0.00 179.25 181.18 3gxi h LEU 91 N 0.64 0.32 -0.72 0.00 5.85 -0.82 -0.82 115.31 119.77 3gxi h LEU 91 Ca 0.09 -0.24 0.03 0.00 0.84 0.00 0.00 57.88 58.61 3gxi h LEU 91 Cb 0.70 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.60 3gxi h LEU 91 CO 0.05 0.47 0.45 0.78 -0.34 0.00 0.00 178.44 179.85 3gxi h ASN 92 N 0.15 0.73 -0.18 1.25 2.35 -1.28 -1.99 115.58 116.62 3gxi h ASN 92 Ca 0.06 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.77 3gxi h ASN 92 Cb 0.28 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 3gxi h ASN 92 CO 0.00 0.51 -0.05 0.40 -1.65 0.00 0.00 177.43 176.63 3gxi h ILE 93 N 0.87 1.29 0.00 2.81 2.04 -1.22 -2.98 117.51 120.32 3gxi h ILE 93 Ca 0.29 -1.04 0.00 0.00 1.00 0.00 0.00 64.86 65.11 3gxi h ILE 93 Cb 0.03 1.62 0.00 0.00 -0.74 0.00 0.00 36.82 37.73 3gxi h ILE 93 CO -0.11 0.31 0.00 -0.07 0.00 0.00 0.00 178.15 178.28 3gxi h LEU 94 N 0.05 0.00 -0.06 1.44 3.38 -1.12 -2.27 115.31 116.73 3gxi h LEU 94 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3gxi h LEU 94 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3gxi h LEU 94 CO 0.02 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.55 3gxi n ALA 95 N -1.81 2.17 -1.91 1.53 0.00 -0.75 -4.80 120.51 114.94 3gxi n ALA 95 Ca 0.02 -0.05 -0.31 0.00 0.00 0.00 0.00 53.44 53.09 3gxi n ALA 95 Cb 0.23 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.25 3gxi n ALA 95 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3gxi s LEU 96 N -3.57 3.34 0.61 0.00 1.43 -0.86 -4.95 118.68 114.69 3gxi s LEU 96 Ca 0.11 1.40 -0.18 0.00 -1.03 0.00 0.00 54.13 54.43 3gxi s LEU 96 Cb 0.15 -4.42 -0.03 0.00 0.03 0.00 0.00 46.19 41.93 3gxi s LEU 96 CO 0.50 -0.79 1.16 -0.94 0.23 0.00 0.00 176.35 176.52 3gxi s SER 97 N -3.97 5.20 0.27 2.29 1.04 -1.26 -4.69 113.70 112.58 3gxi s SER 97 Ca 0.55 2.24 -0.01 0.00 0.48 0.00 0.00 55.95 59.20 3gxi s SER 97 Cb -0.11 -2.58 0.60 0.00 0.10 0.00 0.00 66.02 64.03 3gxi s SER 97 CO 0.49 -1.58 1.66 -0.65 0.98 0.00 0.00 173.24 174.14 3gxi h PRO 98 N 0.64 0.23 -0.61 4.02 0.11 -1.95 -0.35 132.00 134.09 3gxi h PRO 98 Ca -0.49 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.53 3gxi h PRO 98 Cb 1.28 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.31 3gxi h PRO 98 CO 0.55 0.15 0.08 -1.35 -0.21 0.00 0.00 178.00 177.22 3gxi h PRO 99 N 0.23 0.99 -0.68 1.05 0.11 -1.92 -2.25 132.00 129.54 3gxi h PRO 99 Ca 0.49 -0.26 -0.01 0.00 0.11 0.00 0.00 66.00 66.33 3gxi h PRO 99 Cb 0.93 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 31.89 3gxi h PRO 99 CO -0.60 0.93 0.37 0.00 -0.21 0.00 0.00 178.00 178.48 3gxi h ALA 100 N 1.15 0.87 -0.69 -0.75 0.00 -1.40 -2.34 119.26 116.10 3gxi h ALA 100 Ca 0.19 -0.11 0.13 0.00 0.00 0.00 0.00 54.91 55.12 3gxi h ALA 100 Cb 0.43 -0.27 -0.09 0.00 0.00 0.00 0.00 17.79 17.85 3gxi h ALA 100 CO 0.01 0.38 0.20 1.96 0.00 0.00 0.00 179.25 181.80 3gxi h GLN 101 N 0.93 0.32 -0.39 0.00 4.20 -0.80 -0.63 115.11 118.73 3gxi h GLN 101 Ca 0.24 -0.02 -0.14 0.00 0.06 0.00 0.00 58.65 58.79 3gxi h GLN 101 Cb 0.04 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 3gxi h GLN 101 CO -0.04 0.21 -0.30 -0.91 -0.67 0.00 0.00 178.83 177.12 3gxi h ASN 102 N 0.32 0.88 -0.23 1.46 2.35 -1.11 -0.53 115.58 118.72 3gxi h ASN 102 Ca 0.37 -0.36 -0.07 0.00 -0.55 0.00 0.00 56.30 55.70 3gxi h ASN 102 Cb 0.58 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.69 3gxi h ASN 102 CO -0.43 1.11 -0.06 -0.07 -1.65 0.00 0.00 177.43 176.33 3gxi h LEU 103 N 0.71 0.55 0.31 1.61 3.38 -1.00 0.19 115.31 121.06 3gxi h LEU 103 Ca 0.08 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 3gxi h LEU 103 Cb 0.85 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.46 3gxi h LEU 103 CO 0.07 0.66 -0.15 0.25 0.09 0.00 0.00 178.44 179.37 3gxi h LEU 104 N 0.54 -0.35 -1.19 1.67 6.46 -0.81 -1.67 115.31 119.96 3gxi h LEU 104 Ca 0.11 -0.10 -0.02 0.00 -0.12 0.00 0.00 57.88 57.74 3gxi h LEU 104 Cb 0.43 0.09 -0.03 0.00 -0.73 0.00 0.00 40.66 40.42 3gxi h LEU 104 CO 0.02 -0.10 0.29 -0.07 -0.62 0.00 0.00 178.44 177.96 3gxi h LEU 105 N -0.59 0.77 -0.96 2.25 3.38 -0.94 -1.93 115.31 117.28 3gxi h LEU 105 Ca -0.04 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 3gxi h LEU 105 Cb 0.43 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 3gxi h LEU 105 CO 0.07 0.65 0.41 0.11 0.09 0.00 0.00 178.44 179.77 3gxi h LYS 106 N 0.85 1.15 -0.60 1.13 1.57 -0.65 -0.93 116.57 119.11 3gxi h LYS 106 Ca 0.21 -0.15 0.07 0.00 -1.87 0.00 0.00 60.65 58.92 3gxi h LYS 106 Cb 0.08 -0.22 -0.06 0.00 0.08 0.00 0.00 32.23 32.12 3gxi h LYS 106 CO -0.03 0.87 0.27 0.77 -0.57 0.00 0.00 179.45 180.76 3gxi h SER 107 N 1.15 0.34 0.23 0.86 0.02 -0.49 -2.10 113.55 113.56 3gxi h SER 107 Ca 0.28 0.05 -0.32 0.00 -0.84 0.00 0.00 61.79 60.97 3gxi h SER 107 Cb 0.08 -0.00 0.03 0.00 0.14 0.00 0.00 62.40 62.65 3gxi h SER 107 CO -0.04 0.22 -1.45 1.88 -1.14 0.00 0.00 176.83 176.30 3gxi h TYR 108 N 0.50 0.88 0.00 3.45 0.99 -1.42 0.54 116.97 121.91 3gxi h TYR 108 Ca 0.29 -0.65 -0.01 0.00 2.00 0.00 0.00 58.73 60.36 3gxi h TYR 108 Cb 0.28 -0.04 -0.00 0.00 1.00 0.00 0.00 36.73 37.97 3gxi h TYR 108 CO -0.13 1.56 -1.49 1.19 -0.00 0.00 0.00 178.16 179.29 3gxi n PHE 109 N -3.76 0.00 -2.26 4.88 3.01 -0.36 -0.57 117.46 118.41 3gxi n PHE 109 Ca -0.18 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 57.99 3gxi n PHE 109 Cb 1.06 -0.25 0.01 0.00 -0.01 0.00 0.00 39.48 40.29 3gxi n PHE 109 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 3gxi s SER 110 N -3.25 6.21 0.59 4.37 0.15 -0.80 -3.80 113.70 117.17 3gxi s SER 110 Ca -0.04 1.16 0.37 0.00 0.70 0.00 0.00 55.95 58.14 3gxi s SER 110 Cb 0.07 -2.33 1.81 0.00 -1.71 0.00 0.00 66.02 63.85 3gxi s SER 110 CO 0.44 -0.74 2.16 -0.33 1.20 0.00 0.00 173.24 175.96 3gxi h GLU 111 N -0.06 0.00 -0.01 5.44 4.39 -1.87 -0.90 114.58 121.57 3gxi h GLU 111 Ca -0.45 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.25 3gxi h GLU 111 Cb 1.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 3gxi h GLU 111 CO 0.62 0.02 0.00 0.39 -1.16 0.00 0.00 179.01 178.88 3gxi n GLU 112 N -3.19 1.23 0.00 2.33 -0.58 -1.26 -4.68 120.64 114.49 3gxi n GLU 112 Ca -0.01 -0.33 0.00 0.00 -0.42 0.00 0.00 57.16 56.40 3gxi n GLU 112 Cb 0.20 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.58 3gxi n GLU 112 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3gxi n GLY 113 N 1.06 3.66 0.89 0.62 0.00 -0.37 -1.34 105.19 109.71 3gxi n GLY 113 Ca 0.22 -0.67 0.07 0.00 0.00 0.00 0.00 46.02 45.64 3gxi n GLY 113 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3gxi n ILE 114 N 0.00 1.47 -3.38 -0.61 -5.35 0.18 -4.87 119.36 106.79 3gxi n ILE 114 Ca 0.00 -1.26 -0.23 0.00 -0.27 0.00 0.00 62.75 60.99 3gxi n ILE 114 Cb 0.00 0.25 0.06 0.00 -1.74 0.00 0.00 39.64 38.21 3gxi n ILE 114 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3gxi n GLY 115 N 0.41 -0.52 3.67 3.28 0.00 -1.04 -2.63 105.19 108.35 3gxi n GLY 115 Ca 0.17 0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.97 3gxi n GLY 115 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3gxi n TYR 116 N -4.82 2.00 -1.19 1.61 0.53 0.27 -4.76 117.16 110.79 3gxi n TYR 116 Ca -0.03 0.57 0.01 0.00 -1.02 0.00 0.00 57.90 57.43 3gxi n TYR 116 Cb 0.58 -2.37 0.02 0.00 -1.03 0.00 0.00 39.34 36.54 3gxi n TYR 116 CO 0.00 0.00 0.00 0.27 -1.02 0.00 0.00 176.86 176.11 3gxi n ASN 117 N 0.72 0.63 -4.04 7.72 6.94 0.22 -4.78 115.26 122.67 3gxi n ASN 117 Ca 0.06 -1.77 -0.22 0.00 -0.02 0.00 0.00 54.58 52.63 3gxi n ASN 117 Cb 0.36 -0.13 -0.16 0.00 -2.36 0.00 0.00 39.78 37.50 3gxi n ASN 117 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3gxi s ILE 118 N -0.55 0.98 -0.11 1.53 1.01 -0.89 0.03 121.20 123.21 3gxi s ILE 118 Ca 0.04 -0.47 0.00 0.00 0.00 0.00 0.00 60.65 60.23 3gxi s ILE 118 Cb 0.04 -0.87 0.02 0.00 0.01 0.00 0.00 42.46 41.66 3gxi s ILE 118 CO 0.00 0.30 -0.10 -0.63 0.00 0.00 0.00 174.94 174.51 3gxi s ILE 119 N 0.16 1.16 -0.08 2.92 1.01 -0.43 -2.89 121.20 123.05 3gxi s ILE 119 Ca -0.04 -0.41 -0.19 0.00 0.00 0.00 0.00 60.65 60.02 3gxi s ILE 119 Cb -0.10 -1.13 -0.04 0.00 0.01 0.00 0.00 42.46 41.20 3gxi s ILE 119 CO 0.01 0.38 0.53 -0.60 0.00 0.00 0.00 174.94 175.26 3gxi s ARG 120 N 1.38 4.33 -0.24 2.79 3.52 -0.31 -1.45 118.95 128.96 3gxi s ARG 120 Ca -0.00 0.56 0.02 0.00 -0.13 0.00 0.00 55.73 56.17 3gxi s ARG 120 Cb -0.13 -3.41 0.05 0.00 -1.56 0.00 0.00 34.95 29.90 3gxi s ARG 120 CO -0.05 0.21 -0.12 0.08 -0.81 0.00 0.00 175.30 174.61 3gxi s VAL 121 N 0.41 2.02 0.29 7.11 1.01 0.14 -0.75 120.40 130.63 3gxi s VAL 121 Ca 0.28 -1.40 -0.30 0.00 0.00 0.00 0.00 61.98 60.56 3gxi s VAL 121 Cb -0.16 -2.09 -0.11 0.00 0.00 0.00 0.00 36.38 34.02 3gxi s VAL 121 CO 0.13 0.08 1.56 -2.84 0.00 0.00 0.00 175.10 174.03 3gxi s PRO 122 N 1.20 4.15 -0.73 2.72 0.02 -1.26 -2.28 135.00 138.82 3gxi s PRO 122 Ca -0.05 2.53 -0.27 0.00 0.02 0.00 0.00 61.00 63.23 3gxi s PRO 122 Cb -0.18 -3.03 0.03 0.00 0.02 0.00 0.00 34.50 31.34 3gxi s PRO 122 CO -0.07 -0.59 1.25 -1.64 -0.33 0.00 0.00 177.00 175.62 3gxi s MET 123 N -0.58 3.19 3.70 5.54 -1.94 -0.22 -4.87 119.30 124.12 3gxi s MET 123 Ca 0.62 -0.29 0.00 0.00 -1.71 0.00 0.00 55.69 54.31 3gxi s MET 123 Cb -0.47 -4.18 0.00 0.00 2.01 0.00 0.00 34.83 32.19 3gxi s MET 123 CO 0.48 -2.11 0.00 0.00 -0.01 0.00 0.00 175.02 173.38 3gxi n ALA 124 N 9.20 0.00 -2.20 3.03 0.00 -1.26 -4.22 120.51 125.06 3gxi n ALA 124 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.16 3gxi n ALA 124 Cb 0.49 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.90 3gxi n ALA 124 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3gxi s SER 125 N -4.00 6.57 0.00 0.00 1.04 -1.20 -4.93 113.70 111.18 3gxi s SER 125 Ca 0.00 1.13 0.00 0.00 0.48 0.00 0.00 55.95 57.56 3gxi s SER 125 Cb 0.00 -2.32 0.00 0.00 0.10 0.00 0.00 66.02 63.80 3gxi s SER 125 CO 0.00 -0.34 0.00 0.00 0.98 0.00 0.00 173.24 173.88 3gxi h ASP 127 N 0.00 0.00 -1.10 0.00 2.03 -1.96 -3.07 116.42 112.32 3gxi h ASP 127 Ca 0.00 0.00 -0.69 0.00 -0.73 0.00 0.00 57.03 55.61 3gxi h ASP 127 Cb 0.00 0.00 -0.13 0.00 -0.83 0.00 0.00 39.33 38.37 3gxi h ASP 127 CO 0.00 0.23 2.03 0.49 -1.03 0.00 0.00 179.24 180.96 3gxi n PHE 128 N -4.11 2.37 -4.10 4.15 3.01 -1.26 -2.31 117.46 115.21 3gxi n PHE 128 Ca -0.02 -2.65 -0.10 0.00 1.01 0.00 0.00 57.45 55.70 3gxi n PHE 128 Cb 0.30 -1.76 -0.10 0.00 -0.01 0.00 0.00 39.48 37.91 3gxi n PHE 128 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 3gxi s SER 129 N 0.43 0.76 0.00 4.37 0.01 -1.16 -1.20 113.70 116.90 3gxi s SER 129 Ca 0.56 -0.86 0.23 0.00 1.31 0.00 0.00 55.95 57.19 3gxi s SER 129 Cb 0.22 0.12 0.44 0.00 0.21 0.00 0.00 66.02 67.02 3gxi s SER 129 CO -0.12 -0.45 1.41 2.30 0.41 0.00 0.00 173.24 176.79 3gxi n ILE 130 N 0.47 0.32 -3.51 1.44 -5.35 -1.26 -2.65 119.36 108.82 3gxi n ILE 130 Ca -0.16 -0.61 -0.09 0.00 -0.27 0.00 0.00 62.75 61.62 3gxi n ILE 130 Cb 0.59 1.00 -0.03 0.00 -1.74 0.00 0.00 39.64 39.46 3gxi n ILE 130 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3gxi s ARG 131 N -1.68 0.82 -0.03 6.28 1.70 -1.26 -4.95 118.95 119.83 3gxi s ARG 131 Ca 0.35 -0.22 -0.15 0.00 -0.47 0.00 0.00 55.73 55.24 3gxi s ARG 131 Cb 0.21 0.38 -0.05 0.00 -0.57 0.00 0.00 34.95 34.92 3gxi s ARG 131 CO 0.31 -0.34 0.41 0.95 -1.08 0.00 0.00 175.30 175.54 3gxi s THR 132 N -2.78 5.07 -0.14 4.99 -4.23 -1.26 -4.80 115.64 112.49 3gxi s THR 132 Ca 0.03 0.83 -0.30 0.00 -1.18 0.00 0.00 61.69 61.07 3gxi s THR 132 Cb -0.01 -3.72 0.12 0.00 1.34 0.00 0.00 72.50 70.23 3gxi s THR 132 CO -0.07 0.53 0.96 -0.72 -0.54 0.00 0.00 174.62 174.78 3gxi s TYR 133 N -0.74 -0.39 0.38 3.99 -0.85 -1.26 -5.07 117.35 113.41 3gxi s TYR 133 Ca 0.23 0.64 0.00 0.00 -0.52 0.00 0.00 57.07 57.42 3gxi s TYR 133 Cb -0.16 0.45 -0.00 0.00 0.38 0.00 0.00 41.96 42.63 3gxi s TYR 133 CO 0.12 -0.38 0.01 0.25 -1.52 0.00 0.00 175.55 174.03 3gxi n THR 134 N 0.65 0.00 1.31 -3.49 -2.24 -1.26 -3.22 114.28 106.03 3gxi n THR 134 Ca -0.11 -1.84 0.14 0.00 -2.27 0.00 0.00 64.05 59.98 3gxi n THR 134 Cb 0.58 0.39 0.65 0.00 -2.10 0.00 0.00 70.33 69.86 3gxi n THR 134 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3gxi n TYR 135 N -0.95 0.00 -3.06 4.78 0.53 -1.26 -4.38 117.16 112.81 3gxi n TYR 135 Ca -0.15 0.00 -0.19 0.00 -1.02 0.00 0.00 57.90 56.54 3gxi n TYR 135 Cb 0.49 -0.30 -0.04 0.00 -1.03 0.00 0.00 39.34 38.47 3gxi n TYR 135 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3gxi n ALA 136 N -1.25 1.17 1.19 -0.72 0.00 -1.26 -0.42 120.51 119.22 3gxi n ALA 136 Ca 0.12 -2.69 0.13 0.00 0.00 0.00 0.00 53.44 51.01 3gxi n ALA 136 Cb 0.28 -0.99 0.47 0.00 0.00 0.00 0.00 19.45 19.21 3gxi n ALA 136 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3gxi n ASP 137 N 1.69 0.48 -4.63 0.00 8.00 -1.26 -4.72 116.55 116.11 3gxi n ASP 137 Ca 0.18 -0.33 -0.43 0.00 0.71 0.00 0.00 54.79 54.92 3gxi n ASP 137 Cb 0.55 -0.03 -0.03 0.00 -0.02 0.00 0.00 41.12 41.60 3gxi n ASP 137 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3gxi s THR 138 N -2.73 3.67 0.25 -3.53 2.01 -1.26 -4.94 115.64 109.11 3gxi s THR 138 Ca 0.20 0.75 -0.31 0.00 0.31 0.00 0.00 61.69 62.65 3gxi s THR 138 Cb 0.19 -3.68 -0.13 0.00 0.01 0.00 0.00 72.50 68.89 3gxi s THR 138 CO 0.56 -0.28 1.40 -2.65 -0.69 0.00 0.00 174.62 172.96 3gxi n PRO 139 N 7.67 2.08 -2.37 4.92 -0.02 -1.26 -2.57 135.00 143.45 3gxi n PRO 139 Ca 0.19 0.74 -0.19 0.00 -2.02 0.00 0.00 63.50 62.22 3gxi n PRO 139 Cb 0.45 -2.39 -0.01 0.00 -0.02 0.00 0.00 33.50 31.53 3gxi n PRO 139 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3gxi n ASP 140 N 2.00 -5.47 -3.40 2.55 8.00 -1.26 -4.91 116.55 114.07 3gxi n ASP 140 Ca 0.11 -0.02 -0.40 0.00 0.71 0.00 0.00 54.79 55.19 3gxi n ASP 140 Cb 0.32 -4.51 -0.02 0.00 -0.02 0.00 0.00 41.12 36.89 3gxi n ASP 140 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3gxi n ASP 141 N -1.63 8.04 0.29 -2.24 2.03 -1.06 -4.78 116.55 117.20 3gxi n ASP 141 Ca -0.22 -2.71 0.14 0.00 0.52 0.00 0.00 54.79 52.51 3gxi n ASP 141 Cb 0.67 -1.53 0.85 0.00 -0.72 0.00 0.00 41.12 40.38 3gxi n ASP 141 CO 0.00 0.00 0.00 -0.26 -1.92 0.00 0.00 177.20 175.02 3gxi h PHE 142 N 5.05 0.00 -0.00 -0.67 -1.00 -1.91 0.20 116.94 118.62 3gxi h PHE 142 Ca 0.80 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.58 3gxi h PHE 142 Cb 0.33 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.89 3gxi h PHE 142 CO 1.78 0.03 -0.02 1.04 -1.61 0.00 0.00 178.31 179.53 3gxi n GLN 143 N -3.88 0.18 -3.30 1.51 1.13 -1.26 -4.81 117.38 106.95 3gxi n GLN 143 Ca -0.03 -0.01 -0.23 0.00 -1.94 0.00 0.00 57.00 54.80 3gxi n GLN 143 Cb 0.12 -1.50 0.06 0.00 0.11 0.00 0.00 30.24 29.03 3gxi n GLN 143 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3gxi n LEU 144 N -1.40 -3.04 -0.14 1.08 4.77 0.69 -4.88 117.00 114.09 3gxi n LEU 144 Ca 0.10 -0.41 -0.03 0.00 -0.03 0.00 0.00 56.01 55.64 3gxi n LEU 144 Cb 0.30 -2.98 0.19 0.00 -2.33 0.00 0.00 43.42 38.60 3gxi n LEU 144 CO 0.26 0.44 0.98 0.45 -1.33 0.00 0.00 177.39 178.19 3gxi h HIS 145 N -2.03 0.86 -0.55 -1.77 3.86 -1.92 -2.48 115.15 111.13 3gxi h HIS 145 Ca -0.54 -0.08 0.00 0.00 -1.16 0.00 0.00 60.37 58.59 3gxi h HIS 145 Cb 1.36 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 29.58 3gxi h HIS 145 CO 0.51 0.72 0.00 0.09 0.86 0.00 0.00 177.93 180.10 3gxi n ASN 146 N -4.28 5.00 -4.68 2.45 3.02 -1.26 -4.94 115.26 110.56 3gxi n ASN 146 Ca 0.04 -2.69 -0.44 0.00 -0.03 0.00 0.00 54.58 51.46 3gxi n ASN 146 Cb 0.22 -0.63 -0.03 0.00 -0.61 0.00 0.00 39.78 38.73 3gxi n ASN 146 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 3gxi n PHE 147 N 0.74 2.52 -3.52 3.10 7.35 -0.94 -4.63 117.46 122.08 3gxi n PHE 147 Ca 0.25 -0.08 -0.13 0.00 -0.76 0.00 0.00 57.45 56.73 3gxi n PHE 147 Cb 1.01 -2.70 -0.04 0.00 0.35 0.00 0.00 39.48 38.10 3gxi n PHE 147 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 3gxi s SER 148 N 2.81 -0.47 -0.13 -2.13 1.04 0.44 -5.01 113.70 110.25 3gxi s SER 148 Ca 0.84 0.03 -0.25 0.00 0.48 0.00 0.00 55.95 57.05 3gxi s SER 148 Cb -0.54 0.54 -0.02 0.00 0.10 0.00 0.00 66.02 66.10 3gxi s SER 148 CO 0.40 -0.85 0.80 -0.76 0.98 0.00 0.00 173.24 173.82 3gxi s LEU 149 N -2.43 4.23 0.00 2.42 1.43 -1.26 -4.58 118.68 118.49 3gxi s LEU 149 Ca -0.01 1.21 -0.10 0.00 -1.03 0.00 0.00 54.13 54.20 3gxi s LEU 149 Cb -0.00 -3.21 0.13 0.00 0.03 0.00 0.00 46.19 43.14 3gxi s LEU 149 CO -0.08 -0.31 0.77 -0.81 0.23 0.00 0.00 176.35 176.15 3gxi n PRO 150 N 4.74 -0.76 0.17 1.29 -0.04 -1.26 -4.78 135.00 134.36 3gxi n PRO 150 Ca 0.03 -1.19 0.05 0.00 -0.04 0.00 0.00 63.50 62.34 3gxi n PRO 150 Cb 0.50 -0.80 0.49 0.00 -0.04 0.00 0.00 33.50 33.65 3gxi n PRO 150 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3gxi h GLU 151 N 0.00 0.15 -0.99 0.54 5.08 -1.97 -1.51 114.58 115.87 3gxi h GLU 151 Ca -0.25 -0.02 0.21 0.00 -1.00 0.00 0.00 59.36 58.30 3gxi h GLU 151 Cb 0.69 -0.03 -0.09 0.00 0.50 0.00 0.00 28.75 29.82 3gxi h GLU 151 CO 0.18 0.22 0.62 0.93 -1.00 0.00 0.00 179.01 179.96 3gxi h GLU 152 N 0.14 0.56 0.00 2.33 3.07 -1.96 0.45 114.58 119.18 3gxi h GLU 152 Ca 0.03 -0.03 -0.06 0.00 -0.50 0.00 0.00 59.36 58.80 3gxi h GLU 152 Cb 0.20 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 27.98 3gxi h GLU 152 CO 0.01 0.37 -0.37 -0.44 -1.40 0.00 0.00 179.01 177.18 3gxi h ASP 153 N 0.58 0.00 0.95 1.42 3.32 -1.73 -0.94 116.42 120.03 3gxi h ASP 153 Ca 0.56 -0.56 -0.09 0.00 0.02 0.00 0.00 57.03 56.96 3gxi h ASP 153 Cb 1.12 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.66 3gxi h ASP 153 CO -0.31 0.99 -0.43 0.71 -1.72 0.00 0.00 179.24 178.48 3gxi h THR 154 N -1.00 0.94 0.00 0.35 1.35 -0.96 0.36 112.91 113.95 3gxi h THR 154 Ca -0.09 -1.74 -0.02 0.00 -0.55 0.00 0.00 66.41 64.01 3gxi h THR 154 Cb 0.81 2.06 -0.00 0.00 -1.73 0.00 0.00 68.15 69.29 3gxi h THR 154 CO -0.05 0.42 -1.53 1.17 -0.25 0.00 0.00 175.52 175.28 3gxi n LYS 155 N -3.48 0.55 0.00 4.72 3.00 0.16 -4.48 118.16 118.62 3gxi n LYS 155 Ca 0.00 -0.09 0.00 0.00 -0.00 0.00 0.00 58.31 58.22 3gxi n LYS 155 Cb 0.57 -1.26 0.00 0.00 0.00 0.00 0.00 35.03 34.34 3gxi n LYS 155 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 3gxi n LEU 156 N -1.94 0.00 0.14 3.14 4.77 -1.10 -4.73 117.00 117.28 3gxi n LEU 156 Ca -0.04 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.81 3gxi n LEU 156 Cb 0.35 -0.14 -0.08 0.00 -2.33 0.00 0.00 43.42 41.22 3gxi n LEU 156 CO 0.23 -0.50 0.72 0.11 -1.33 0.00 0.00 177.39 176.62 3gxi h LYS 157 N 0.00 -0.29 0.16 3.23 1.57 -1.15 -2.93 116.57 117.15 3gxi h LYS 157 Ca 0.00 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 3gxi h LYS 157 Cb 0.00 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.38 3gxi h LYS 157 CO 0.00 -0.10 -0.08 0.82 -0.57 0.00 0.00 179.45 179.52 3gxi h ILE 158 N -0.43 0.87 -0.28 1.86 2.04 -1.17 -0.80 117.51 119.61 3gxi h ILE 158 Ca -0.03 -0.13 0.03 0.00 1.00 0.00 0.00 64.86 65.73 3gxi h ILE 158 Cb 0.33 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 3gxi h ILE 158 CO 0.05 0.03 0.19 -0.65 0.00 0.00 0.00 178.15 177.77 3gxi h PRO 159 N -0.28 0.22 -0.14 2.37 0.11 -1.77 -1.07 132.00 131.44 3gxi h PRO 159 Ca -0.02 -0.01 -0.20 0.00 0.11 0.00 0.00 66.00 65.87 3gxi h PRO 159 Cb 0.22 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.28 3gxi h PRO 159 CO 0.04 0.15 -0.72 -0.07 -0.21 0.00 0.00 178.00 177.18 3gxi h LEU 160 N 0.23 0.77 -0.47 2.35 3.38 -1.29 -2.42 115.31 117.87 3gxi h LEU 160 Ca 0.12 -0.49 -0.02 0.00 0.09 0.00 0.00 57.88 57.58 3gxi h LEU 160 Cb 0.19 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3gxi h LEU 160 CO -0.02 1.26 0.21 0.40 0.09 0.00 0.00 178.44 180.38 3gxi h ILE 161 N 0.46 1.20 -0.67 1.22 2.04 -0.52 0.27 117.51 121.51 3gxi h ILE 161 Ca -0.03 -0.58 0.00 0.00 1.00 0.00 0.00 64.86 65.25 3gxi h ILE 161 Cb 1.33 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 38.08 3gxi h ILE 161 CO 0.14 0.22 0.43 0.45 0.00 0.00 0.00 178.15 179.40 3gxi h HIS 162 N 0.62 0.85 -0.44 1.37 3.86 -1.14 -1.51 115.15 118.76 3gxi h HIS 162 Ca 0.16 0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.35 3gxi h HIS 162 Cb 0.15 -0.29 -0.02 0.00 1.06 0.00 0.00 27.41 28.32 3gxi h HIS 162 CO -0.00 0.55 0.16 0.00 0.86 0.00 0.00 177.93 179.49 3gxi h ARG 163 N 0.91 0.67 -0.45 2.45 3.08 -1.22 -0.92 114.38 118.90 3gxi h ARG 163 Ca 0.24 -0.13 0.06 0.00 0.07 0.00 0.00 59.98 60.23 3gxi h ARG 163 Cb -0.08 -0.10 -0.06 0.00 0.08 0.00 0.00 29.97 29.81 3gxi h ARG 163 CO -0.05 0.63 0.13 0.00 -1.07 0.00 0.00 179.97 179.61 3gxi h ALA 164 N 1.01 0.52 -0.25 0.04 0.00 -0.54 -2.31 119.26 117.73 3gxi h ALA 164 Ca 0.14 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 3gxi h ALA 164 Cb 0.23 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3gxi h ALA 164 CO -0.01 -0.27 -0.24 -0.07 0.00 0.00 0.00 179.25 178.66 3gxi h LEU 165 N 0.28 0.47 -1.04 0.00 3.38 -1.08 -1.68 115.31 115.63 3gxi h LEU 165 Ca 0.22 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 3gxi h LEU 165 Cb 0.24 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3gxi h LEU 165 CO -0.25 0.71 -0.23 -0.61 0.09 0.00 0.00 178.44 178.15 3gxi h GLN 166 N 0.42 0.40 0.00 1.13 5.75 -0.87 -2.99 115.11 118.95 3gxi h GLN 166 Ca 0.06 -0.14 -0.13 0.00 -0.15 0.00 0.00 58.65 58.30 3gxi h GLN 166 Cb 0.65 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.15 3gxi h GLN 166 CO 0.05 0.62 -0.60 -0.07 -2.65 0.00 0.00 178.83 176.17 3gxi h LEU 167 N 0.36 0.00 -9.58 -2.39 3.38 -1.01 -3.45 115.31 102.62 3gxi h LEU 167 Ca 0.06 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.51 3gxi h LEU 167 Cb 0.61 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 3gxi h LEU 167 CO 0.04 0.60 0.41 0.00 0.09 0.00 0.00 178.44 179.58 3gxi s ALA 168 N -3.01 3.29 -0.08 1.53 0.00 -0.67 -4.20 121.76 118.62 3gxi s ALA 168 Ca 0.03 0.67 -0.25 0.00 0.00 0.00 0.00 51.96 52.40 3gxi s ALA 168 Cb 0.09 -3.32 -0.21 0.00 0.00 0.00 0.00 23.12 19.68 3gxi s ALA 168 CO 0.75 -0.12 0.92 1.96 0.00 0.00 0.00 175.76 179.28 3gxi h GLN 169 N 5.57 -0.04 -7.02 0.00 1.08 -1.87 -3.46 115.11 109.37 3gxi h GLN 169 Ca -0.43 0.00 -0.52 0.00 -1.45 0.00 0.00 58.65 56.25 3gxi h GLN 169 Cb 1.21 0.01 0.09 0.00 -0.05 0.00 0.00 27.48 28.74 3gxi h GLN 169 CO 0.73 0.63 0.52 1.03 -0.95 0.00 0.00 178.83 180.79 3gxi s ARG 170 N -3.10 3.51 0.27 1.46 0.52 -1.26 -4.98 118.95 115.36 3gxi s ARG 170 Ca -0.16 1.91 -0.31 0.00 -0.52 0.00 0.00 55.73 56.65 3gxi s ARG 170 Cb -0.01 -2.31 -0.12 0.00 0.52 0.00 0.00 34.95 33.02 3gxi s ARG 170 CO 0.61 -0.79 1.52 -2.30 0.02 0.00 0.00 175.30 174.35 3gxi n PRO 171 N -0.75 2.40 -4.06 3.54 -0.02 -1.26 -4.99 135.00 129.86 3gxi n PRO 171 Ca 0.09 0.85 -0.36 0.00 -2.02 0.00 0.00 63.50 62.06 3gxi n PRO 171 Cb 0.47 -2.58 -0.07 0.00 -0.02 0.00 0.00 33.50 31.30 3gxi n PRO 171 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3gxi s VAL 172 N 0.02 5.05 -0.22 -1.45 1.01 -1.26 -4.83 120.40 118.71 3gxi s VAL 172 Ca 0.66 0.04 -0.08 0.00 0.00 0.00 0.00 61.98 62.60 3gxi s VAL 172 Cb -0.57 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 3gxi s VAL 172 CO 0.48 0.60 0.08 -0.94 0.00 0.00 0.00 175.10 175.33 3gxi s SER 173 N -0.86 5.48 -0.13 3.32 1.04 0.11 -4.98 113.70 117.68 3gxi s SER 173 Ca 0.13 -0.04 -0.11 0.00 0.48 0.00 0.00 55.95 56.41 3gxi s SER 173 Cb -0.12 -1.97 -0.05 0.00 0.10 0.00 0.00 66.02 63.99 3gxi s SER 173 CO 0.03 0.06 0.23 -0.76 0.98 0.00 0.00 173.24 173.78 3gxi s LEU 174 N 1.03 4.31 -0.13 2.42 1.43 -1.26 -1.31 118.68 125.17 3gxi s LEU 174 Ca 0.05 0.50 0.02 0.00 -1.03 0.00 0.00 54.13 53.66 3gxi s LEU 174 Cb -0.14 -2.25 0.02 0.00 0.03 0.00 0.00 46.19 43.85 3gxi s LEU 174 CO 0.03 0.24 -0.17 -0.22 0.23 0.00 0.00 176.35 176.47 3gxi s LEU 175 N -0.22 1.83 0.09 1.79 2.96 -0.53 0.41 118.68 124.99 3gxi s LEU 175 Ca 0.15 -0.49 0.06 0.00 -0.22 0.00 0.00 54.13 53.63 3gxi s LEU 175 Cb -0.13 -1.21 -0.04 0.00 0.50 0.00 0.00 46.19 45.31 3gxi s LEU 175 CO 0.04 0.01 -0.07 0.00 -1.32 0.00 0.00 176.35 175.01 3gxi s ALA 176 N 1.08 3.05 -0.10 5.97 0.00 -0.55 0.28 121.76 131.49 3gxi s ALA 176 Ca -0.03 -1.18 -0.06 0.00 0.00 0.00 0.00 51.96 50.69 3gxi s ALA 176 Cb -0.14 -1.00 0.04 0.00 0.00 0.00 0.00 23.12 22.01 3gxi s ALA 176 CO -0.04 0.66 0.25 -1.12 0.00 0.00 0.00 175.76 175.50 3gxi s SER 177 N -2.14 -0.26 0.17 0.00 0.01 -0.97 -0.23 113.70 110.28 3gxi s SER 177 Ca 0.22 0.52 -0.11 0.00 1.31 0.00 0.00 55.95 57.89 3gxi s SER 177 Cb -0.11 0.42 -0.07 0.00 0.21 0.00 0.00 66.02 66.47 3gxi s SER 177 CO 0.14 -0.15 0.52 -2.16 0.41 0.00 0.00 173.24 172.00 3gxi s PRO 178 N 1.08 3.86 -0.22 12.44 0.04 -1.26 -1.05 135.00 149.89 3gxi s PRO 178 Ca -0.08 0.33 -0.16 0.00 0.04 0.00 0.00 61.00 61.13 3gxi s PRO 178 Cb -0.09 -2.82 -0.10 0.00 0.04 0.00 0.00 34.50 31.52 3gxi s PRO 178 CO -0.07 0.43 -0.21 0.91 0.04 0.00 0.00 177.00 178.09 3gxi n TRP 179 N 0.41 0.35 -4.25 0.56 8.01 -1.26 -0.71 117.44 120.55 3gxi n TRP 179 Ca -0.03 0.15 -0.20 0.00 -1.31 0.00 0.00 57.50 56.11 3gxi n TRP 179 Cb 0.52 -0.85 -0.12 0.00 -2.01 0.00 0.00 31.31 28.85 3gxi n TRP 179 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.69 176.60 3gxi s THR 180 N -2.55 1.46 0.72 -0.99 -1.32 -1.26 -2.68 115.64 109.02 3gxi s THR 180 Ca -0.31 -1.60 -0.11 0.00 -1.21 0.00 0.00 61.69 58.46 3gxi s THR 180 Cb 0.08 -1.47 0.02 0.00 -1.51 0.00 0.00 72.50 69.63 3gxi s THR 180 CO 0.45 -0.25 1.10 -0.94 -2.21 0.00 0.00 174.62 172.77 3gxi s SER 181 N -2.16 5.29 0.30 8.08 1.04 -1.26 -4.96 113.70 120.02 3gxi s SER 181 Ca 0.06 1.13 -0.26 0.00 0.48 0.00 0.00 55.95 57.37 3gxi s SER 181 Cb -0.08 -1.90 -0.15 0.00 0.10 0.00 0.00 66.02 63.99 3gxi s SER 181 CO 0.04 -1.44 0.53 -2.65 0.98 0.00 0.00 173.24 170.69 3gxi n PRO 182 N -3.07 0.35 0.25 4.02 -0.02 -1.26 -4.86 135.00 130.41 3gxi n PRO 182 Ca 0.07 0.12 0.12 0.00 -2.02 0.00 0.00 63.50 61.80 3gxi n PRO 182 Cb 0.57 -1.25 0.62 0.00 -0.02 0.00 0.00 33.50 33.42 3gxi n PRO 182 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 3gxi h THR 183 N 1.00 0.49 0.00 3.45 1.35 -1.89 -2.11 112.91 115.20 3gxi h THR 183 Ca -0.34 -0.79 0.00 0.00 -0.55 0.00 0.00 66.41 64.73 3gxi h THR 183 Cb 1.42 1.55 0.00 0.00 -1.73 0.00 0.00 68.15 69.38 3gxi h THR 183 CO 0.55 0.15 0.00 -2.67 -0.25 0.00 0.00 175.52 173.30 3gxi n TRP 184 N -3.45 0.00 1.50 4.73 4.27 -1.26 -1.80 117.44 121.43 3gxi n TRP 184 Ca -0.01 0.00 0.14 0.00 -3.89 0.00 0.00 57.50 53.74 3gxi n TRP 184 Cb 0.33 -0.50 0.57 0.00 -1.36 0.00 0.00 31.31 30.36 3gxi n TRP 184 CO 0.00 0.00 0.00 1.28 -2.29 0.00 0.00 177.69 176.68 3gxi n LEU 185 N -1.50 1.00 -4.55 5.67 4.77 -0.79 -4.86 117.00 116.75 3gxi n LEU 185 Ca 0.06 -0.29 -0.33 0.00 -0.03 0.00 0.00 56.01 55.42 3gxi n LEU 185 Cb 0.27 -0.06 -0.12 0.00 -2.33 0.00 0.00 43.42 41.19 3gxi n LEU 185 CO 0.22 0.17 -0.41 -0.54 -1.33 0.00 0.00 177.39 175.50 3gxi s LYS 186 N -2.19 2.58 0.49 3.23 1.02 -0.74 -1.32 119.74 122.82 3gxi s LYS 186 Ca 0.35 -0.66 0.20 0.00 0.02 0.00 0.00 55.97 55.88 3gxi s LYS 186 Cb 0.21 -2.48 1.24 0.00 -0.52 0.00 0.00 37.83 36.27 3gxi s LYS 186 CO 0.40 0.63 2.00 1.79 -0.92 0.00 0.00 175.35 179.26 3gxi h THR 187 N 4.14 0.82 -0.02 2.17 1.35 -1.24 -2.47 112.91 117.66 3gxi h THR 187 Ca -0.48 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 65.33 3gxi h THR 187 Cb 1.16 0.65 0.00 0.00 -1.73 0.00 0.00 68.15 68.23 3gxi h THR 187 CO 0.52 0.03 -0.14 -0.46 -0.25 0.00 0.00 175.52 175.22 3gxi n ASN 188 N -4.44 2.32 -2.52 5.36 6.94 -1.26 -4.99 115.26 116.68 3gxi n ASN 188 Ca 0.09 -1.66 -0.17 0.00 -0.02 0.00 0.00 54.58 52.81 3gxi n ASN 188 Cb 0.46 0.17 -0.00 0.00 -2.36 0.00 0.00 39.78 38.05 3gxi n ASN 188 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3gxi n GLY 189 N 1.16 -0.50 3.10 4.83 0.00 -0.93 -4.97 105.19 107.87 3gxi n GLY 189 Ca 0.10 0.02 -0.09 0.00 0.00 0.00 0.00 46.02 46.04 3gxi n GLY 189 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gxi s ALA 190 N -2.86 -0.01 0.29 4.61 0.00 -1.26 -4.86 121.76 117.67 3gxi s ALA 190 Ca 0.05 -0.59 0.18 0.00 0.00 0.00 0.00 51.96 51.59 3gxi s ALA 190 Cb -0.02 0.23 0.85 0.00 0.00 0.00 0.00 23.12 24.18 3gxi s ALA 190 CO 0.06 -0.30 1.83 -0.39 0.00 0.00 0.00 175.76 176.96 3gxi h VAL 191 N 3.76 0.96 -3.26 0.00 -1.51 -1.92 -3.46 116.25 110.82 3gxi h VAL 191 Ca -0.32 -1.25 0.00 0.00 -1.23 0.00 0.00 66.70 63.90 3gxi h VAL 191 Cb 1.18 1.73 0.00 0.00 -2.13 0.00 0.00 31.29 32.08 3gxi h VAL 191 CO 0.50 0.32 0.00 -0.46 -1.23 0.00 0.00 177.57 176.70 3gxi n ASN 192 N -3.75 1.82 -0.24 4.19 0.23 -1.26 -1.63 115.26 114.61 3gxi n ASN 192 Ca -0.01 -0.44 0.03 0.00 -0.53 0.00 0.00 54.58 53.63 3gxi n ASN 192 Cb 0.42 0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 38.11 3gxi n ASN 192 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3gxi n GLY 193 N 4.55 -1.44 3.67 4.83 0.00 0.88 -4.79 105.19 112.88 3gxi n GLY 193 Ca 0.00 -1.47 -0.43 0.00 0.00 0.00 0.00 46.02 44.12 3gxi n GLY 193 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gxi s LYS 194 N -1.31 4.29 0.00 1.61 2.20 -1.18 -4.63 119.74 120.72 3gxi s LYS 194 Ca 0.00 1.40 0.00 0.00 -0.36 0.00 0.00 55.97 57.01 3gxi s LYS 194 Cb 0.00 -3.63 0.00 0.00 -1.51 0.00 0.00 37.83 32.69 3gxi s LYS 194 CO 0.00 -0.58 0.00 0.41 -0.36 0.00 0.00 175.35 174.82 3gxi n GLY 195 N 3.30 1.57 1.68 5.54 0.00 -0.23 -4.61 105.19 112.44 3gxi n GLY 195 Ca 0.12 -0.23 -0.14 0.00 0.00 0.00 0.00 46.02 45.76 3gxi n GLY 195 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gxi n SER 196 N 0.00 1.97 -4.77 1.61 3.41 -1.26 -0.79 113.62 113.79 3gxi n SER 196 Ca 0.00 -2.05 -0.41 0.00 -0.26 0.00 0.00 58.87 56.15 3gxi n SER 196 Cb 0.00 0.31 -0.01 0.00 -0.26 0.00 0.00 64.21 64.25 3gxi n SER 196 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3gxi s LEU 197 N 0.00 4.35 0.90 1.04 1.43 -1.26 -0.83 118.68 124.31 3gxi s LEU 197 Ca 0.04 2.94 -0.11 0.00 -1.03 0.00 0.00 54.13 55.98 3gxi s LEU 197 Cb 0.00 -3.65 0.13 0.00 0.03 0.00 0.00 46.19 42.71 3gxi s LEU 197 CO 0.03 -0.83 1.10 -0.54 0.23 0.00 0.00 176.35 176.34 3gxi s LYS 198 N -1.38 1.17 3.57 1.70 1.02 -0.43 -4.63 119.74 120.76 3gxi s LYS 198 Ca 0.56 1.14 0.00 0.00 0.02 0.00 0.00 55.97 57.69 3gxi s LYS 198 Cb -0.46 -1.77 0.00 0.00 -0.52 0.00 0.00 37.83 35.08 3gxi s LYS 198 CO 0.55 -2.39 0.00 0.41 -0.92 0.00 0.00 175.35 173.00 3gxi n GLY 199 N -0.50 0.33 2.98 -3.33 0.00 -1.26 -4.56 105.19 98.86 3gxi n GLY 199 Ca 0.08 -0.88 -0.11 0.00 0.00 0.00 0.00 46.02 45.12 3gxi n GLY 199 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gxi s GLN 200 N 0.00 0.33 0.33 1.61 -1.52 -1.26 -5.08 119.66 114.07 3gxi s GLN 200 Ca 0.00 -0.55 -0.26 0.00 -1.95 0.00 0.00 55.36 52.60 3gxi s GLN 200 Cb 0.00 -0.01 -0.14 0.00 -0.22 0.00 0.00 33.01 32.64 3gxi s GLN 200 CO 0.00 -0.02 0.75 -2.30 -0.25 0.00 0.00 175.29 173.47 3gxi n PRO 201 N 1.80 0.82 0.00 2.91 -0.02 -1.26 -1.48 135.00 137.77 3gxi n PRO 201 Ca -0.22 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 3gxi n PRO 201 Cb 0.56 -1.58 0.00 0.00 -0.02 0.00 0.00 33.50 32.45 3gxi n PRO 201 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gxi n GLY 202 N 1.57 2.83 3.96 -1.23 0.00 -1.26 -5.04 105.19 106.01 3gxi n GLY 202 Ca 0.12 -0.07 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 3gxi n GLY 202 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3gxi s ASP 203 N 0.79 3.46 0.29 1.61 1.47 -0.55 -4.70 116.67 119.03 3gxi s ASP 203 Ca 0.00 -0.06 0.01 0.00 1.18 0.00 0.00 52.55 53.68 3gxi s ASP 203 Cb 0.00 -0.05 0.54 0.00 -0.34 0.00 0.00 42.92 43.07 3gxi s ASP 203 CO 0.00 -2.48 1.87 -0.29 0.68 0.00 0.00 175.17 174.94 3gxi h ILE 204 N -1.26 0.99 -0.15 2.11 2.10 -1.96 0.20 117.51 119.55 3gxi h ILE 204 Ca -0.40 -0.35 -0.02 0.00 1.08 0.00 0.00 64.86 65.16 3gxi h ILE 204 Cb 1.24 -0.13 -0.01 0.00 -1.09 0.00 0.00 36.82 36.84 3gxi h ILE 204 CO 0.36 0.19 0.00 1.88 -1.08 0.00 0.00 178.15 179.50 3gxi h TYR 205 N 1.02 0.28 -0.49 2.19 -1.99 -1.91 0.91 116.97 116.98 3gxi h TYR 205 Ca 0.45 -0.05 -0.11 0.00 2.00 0.00 0.00 58.73 61.03 3gxi h TYR 205 Cb 0.36 -0.07 -0.02 0.00 2.00 0.00 0.00 36.73 39.00 3gxi h TYR 205 CO -0.00 0.48 -0.13 0.45 -0.00 0.00 0.00 178.16 178.95 3gxi h HIS 206 N -0.00 1.02 -0.57 4.88 3.86 -1.70 -2.08 115.15 120.55 3gxi h HIS 206 Ca 0.04 -0.21 -0.05 0.00 -1.16 0.00 0.00 60.37 58.99 3gxi h HIS 206 Cb 0.36 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.56 3gxi h HIS 206 CO 0.03 0.98 0.16 1.96 0.86 0.00 0.00 177.93 181.92 3gxi h GLN 207 N 0.81 0.91 -0.53 2.45 1.08 -0.54 -1.90 115.11 117.40 3gxi h GLN 207 Ca 0.13 -0.21 -0.02 0.00 -1.45 0.00 0.00 58.65 57.10 3gxi h GLN 207 Cb 0.66 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.95 3gxi h GLN 207 CO 0.05 0.83 0.26 1.15 -0.95 0.00 0.00 178.83 180.16 3gxi h THR 208 N 0.81 1.20 -0.22 -0.54 2.02 -0.70 -0.56 112.91 114.92 3gxi h THR 208 Ca 0.18 -0.55 0.01 0.00 0.77 0.00 0.00 66.41 66.82 3gxi h THR 208 Cb 0.32 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 3gxi h THR 208 CO -0.00 0.22 0.13 -0.25 0.37 0.00 0.00 175.52 175.99 3gxi h TRP 209 N 0.71 0.25 -0.94 3.16 -0.00 -1.34 0.57 115.95 118.35 3gxi h TRP 209 Ca 0.18 0.01 0.03 0.00 -0.00 0.00 0.00 58.89 59.11 3gxi h TRP 209 Cb 0.11 -0.08 -0.05 0.00 -0.00 0.00 0.00 29.16 29.14 3gxi h TRP 209 CO -0.01 0.15 0.62 0.00 -0.00 0.00 0.00 178.44 179.21 3gxi h ALA 210 N 1.09 1.38 0.00 2.65 0.00 -1.06 -2.09 119.26 121.23 3gxi h ALA 210 Ca 0.08 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 3gxi h ALA 210 Cb -0.02 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 3gxi h ALA 210 CO -0.03 0.54 -0.36 0.00 0.00 0.00 0.00 179.25 179.40 3gxi h ARG 211 N 1.21 0.00 -0.68 0.00 3.08 -0.26 -2.38 114.38 115.34 3gxi h ARG 211 Ca 0.37 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.42 3gxi h ARG 211 Cb -0.02 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 29.99 3gxi h ARG 211 CO -0.11 0.36 0.42 -0.92 -1.07 0.00 0.00 179.97 178.66 3gxi h TYR 212 N 0.00 0.89 -0.36 3.04 3.20 -0.22 -0.06 116.97 123.47 3gxi h TYR 212 Ca -0.00 0.00 0.06 0.00 3.14 0.00 0.00 58.73 61.93 3gxi h TYR 212 Cb 0.81 -0.29 -0.05 0.00 1.54 0.00 0.00 36.73 38.74 3gxi h TYR 212 CO 0.00 0.59 0.04 0.74 -1.64 0.00 0.00 178.16 177.89 3gxi h PHE 213 N 0.93 0.05 -0.49 -3.82 -1.00 -1.17 -1.54 116.94 109.89 3gxi h PHE 213 Ca 0.25 0.02 0.01 0.00 2.81 0.00 0.00 57.97 61.06 3gxi h PHE 213 Cb -0.05 0.03 -0.03 0.00 3.61 0.00 0.00 35.95 39.52 3gxi h PHE 213 CO -0.02 -0.03 0.32 0.28 -1.61 0.00 0.00 178.31 177.26 3gxi h VAL 214 N 0.14 1.11 -0.94 -0.55 2.07 -1.26 -2.14 116.25 114.68 3gxi h VAL 214 Ca 0.17 -0.22 0.07 0.00 0.82 0.00 0.00 66.70 67.54 3gxi h VAL 214 Cb 0.22 0.40 -0.07 0.00 -1.52 0.00 0.00 31.29 30.33 3gxi h VAL 214 CO -0.26 0.12 0.60 0.11 0.02 0.00 0.00 177.57 178.15 3gxi h LYS 215 N 0.65 1.03 0.13 1.57 1.79 -0.89 0.31 116.57 121.15 3gxi h LYS 215 Ca 0.19 -0.06 -0.00 0.00 -2.18 0.00 0.00 60.65 58.59 3gxi h LYS 215 Cb -0.05 -0.23 -0.00 0.00 -1.58 0.00 0.00 32.23 30.36 3gxi h LYS 215 CO -0.05 0.68 -0.09 0.35 -1.08 0.00 0.00 179.45 179.26 3gxi h PHE 216 N 1.06 -0.22 -0.80 -1.35 3.57 -0.88 -0.31 116.94 118.01 3gxi h PHE 216 Ca 0.42 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.93 3gxi h PHE 216 Cb 0.22 0.08 -0.04 0.00 2.79 0.00 0.00 35.95 38.99 3gxi h PHE 216 CO -0.02 -0.14 0.52 -0.07 -2.23 0.00 0.00 178.31 176.38 3gxi h LEU 217 N -0.22 0.89 -0.40 0.59 3.38 -1.00 -0.57 115.31 117.98 3gxi h LEU 217 Ca -0.01 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 57.98 3gxi h LEU 217 Cb 0.19 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 3gxi h LEU 217 CO 0.01 0.63 0.19 0.44 0.09 0.00 0.00 178.44 179.80 3gxi h ASP 218 N 1.05 0.27 -0.32 -0.43 3.32 -0.72 0.14 116.42 119.73 3gxi h ASP 218 Ca 0.30 0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.33 3gxi h ASP 218 Cb -0.08 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 3gxi h ASP 218 CO -0.08 0.20 0.01 0.00 -1.72 0.00 0.00 179.24 177.65 3gxi h ALA 219 N 1.22 0.43 -0.88 3.45 0.00 -0.63 -0.78 119.26 122.06 3gxi h ALA 219 Ca 0.17 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3gxi h ALA 219 Cb 0.09 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 3gxi h ALA 219 CO -0.13 0.18 0.51 1.88 0.00 0.00 0.00 179.25 181.69 3gxi h TYR 220 N 0.37 1.18 -0.62 0.00 -1.99 -1.01 -2.85 116.97 112.05 3gxi h TYR 220 Ca 0.09 -0.01 -0.02 0.00 2.00 0.00 0.00 58.73 60.79 3gxi h TYR 220 Cb 0.42 -0.38 -0.03 0.00 2.00 0.00 0.00 36.73 38.74 3gxi h TYR 220 CO 0.03 0.80 0.29 0.00 -0.00 0.00 0.00 178.16 179.28 3gxi h ALA 221 N 1.34 1.34 -0.70 3.88 0.00 -0.65 -0.50 119.26 123.96 3gxi h ALA 221 Ca 0.31 -0.13 0.17 0.00 0.00 0.00 0.00 54.91 55.26 3gxi h ALA 221 Cb -0.02 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.48 3gxi h ALA 221 CO -0.06 0.51 0.48 0.93 0.00 0.00 0.00 179.25 181.12 3gxi h GLU 222 N 0.88 0.20 -0.64 0.00 5.08 -0.91 0.19 114.58 119.38 3gxi h GLU 222 Ca 0.22 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 3gxi h GLU 222 Cb 0.11 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.31 3gxi h GLU 222 CO -0.03 0.13 0.00 0.72 -1.00 0.00 0.00 179.01 178.84 3gxi n HIS 223 N -4.42 1.76 -2.75 4.33 8.25 -0.29 -4.94 115.22 117.16 3gxi n HIS 223 Ca 0.13 -0.62 -0.22 0.00 -0.26 0.00 0.00 57.72 56.76 3gxi n HIS 223 Cb 0.62 -0.44 0.02 0.00 1.12 0.00 0.00 29.99 31.31 3gxi n HIS 223 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3gxi n LYS 224 N 0.58 -3.52 -4.90 -0.41 5.02 0.05 -5.01 118.16 109.97 3gxi n LYS 224 Ca 0.24 0.96 -0.33 0.00 -2.02 0.00 0.00 58.31 57.16 3gxi n LYS 224 Cb 1.05 -5.73 -0.14 0.00 -0.02 0.00 0.00 35.03 30.18 3gxi n LYS 224 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3gxi s LEU 225 N -6.39 2.60 0.12 -0.35 1.43 -0.62 -4.99 118.68 110.49 3gxi s LEU 225 Ca 0.17 -0.32 0.10 0.00 -1.03 0.00 0.00 54.13 53.05 3gxi s LEU 225 Cb -0.08 -1.55 -0.04 0.00 0.03 0.00 0.00 46.19 44.55 3gxi s LEU 225 CO 0.21 0.23 -0.21 -1.10 0.23 0.00 0.00 176.35 175.71 3gxi s GLN 226 N -0.04 1.66 -0.07 1.70 -1.52 -1.26 -2.92 119.66 117.20 3gxi s GLN 226 Ca -0.04 -1.25 -0.03 0.00 -1.95 0.00 0.00 55.36 52.10 3gxi s GLN 226 Cb -0.14 -2.04 -0.04 0.00 -0.22 0.00 0.00 33.01 30.57 3gxi s GLN 226 CO 0.04 0.47 0.06 -0.06 -0.25 0.00 0.00 175.29 175.55 3gxi s PHE 227 N -1.14 3.32 -0.05 0.91 0.40 -1.26 -4.46 117.98 115.70 3gxi s PHE 227 Ca 0.17 0.29 -0.23 0.00 -0.60 0.00 0.00 56.93 56.56 3gxi s PHE 227 Cb -0.10 -1.82 -0.26 0.00 0.51 0.00 0.00 43.02 41.35 3gxi s PHE 227 CO 0.09 0.57 0.97 2.35 0.70 0.00 0.00 175.22 179.90 3gxi h TRP 228 N 4.82 0.41 -3.82 0.36 7.01 -0.39 -3.42 115.95 120.91 3gxi h TRP 228 Ca -0.52 -0.25 -0.09 0.00 2.11 0.00 0.00 58.89 60.14 3gxi h TRP 228 Cb 1.20 -0.03 -0.12 0.00 -2.10 0.00 0.00 29.16 28.10 3gxi h TRP 228 CO 0.67 1.12 -0.29 0.00 -2.79 0.00 0.00 178.44 177.15 3gxi s ALA 229 N -2.80 -0.10 0.11 2.65 0.00 -1.06 -1.27 121.76 119.29 3gxi s ALA 229 Ca -0.15 -0.80 0.07 0.00 0.00 0.00 0.00 51.96 51.08 3gxi s ALA 229 Cb 0.01 0.84 -0.04 0.00 0.00 0.00 0.00 23.12 23.93 3gxi s ALA 229 CO 0.78 -0.65 -0.18 0.14 0.00 0.00 0.00 175.76 175.85 3gxi s VAL 230 N -3.95 1.56 0.18 0.00 -7.23 -0.22 -1.48 120.40 109.26 3gxi s VAL 230 Ca 0.16 -1.62 -0.01 0.00 -1.81 0.00 0.00 61.98 58.69 3gxi s VAL 230 Cb 0.03 -1.53 -0.04 0.00 0.56 0.00 0.00 36.38 35.39 3gxi s VAL 230 CO -0.01 -0.21 0.38 0.42 -0.31 0.00 0.00 175.10 175.37 3gxi s THR 231 N -1.57 5.20 0.62 5.32 -4.23 0.68 -0.69 115.64 120.97 3gxi s THR 231 Ca 0.07 -0.29 0.34 0.00 -1.18 0.00 0.00 61.69 60.63 3gxi s THR 231 Cb -0.08 -3.71 0.38 0.00 1.34 0.00 0.00 72.50 70.43 3gxi s THR 231 CO 0.04 -0.12 2.24 0.00 -0.54 0.00 0.00 174.62 176.24 3gxi h ALA 232 N 2.20 1.44 0.00 3.99 0.00 -1.47 -3.41 119.26 122.01 3gxi h ALA 232 Ca -0.47 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3gxi h ALA 232 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3gxi h ALA 232 CO 0.69 -0.08 0.00 -1.91 0.00 0.00 0.00 179.25 177.95 3gxi n GLU 233 N -3.58 0.00 -2.36 0.00 4.07 -1.26 -4.93 120.64 112.58 3gxi n GLU 233 Ca -0.02 0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 56.66 3gxi n GLU 233 Cb 0.15 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 31.49 3gxi n GLU 233 CO 0.00 0.00 0.00 1.21 -0.06 0.00 0.00 177.13 178.28 3gxi s ASN 234 N 0.00 7.03 -1.02 4.31 2.47 0.11 -4.30 114.94 123.55 3gxi s ASN 234 Ca 0.00 2.13 -0.17 0.00 0.42 0.00 0.00 52.86 55.24 3gxi s ASN 234 Cb 0.00 -2.59 0.02 0.00 -1.45 0.00 0.00 41.25 37.23 3gxi s ASN 234 CO 0.00 -0.48 0.66 -0.62 -3.72 0.00 0.00 177.10 172.94 3gxi n GLU 235 N 3.55 -0.92 0.30 0.43 1.02 0.83 -4.74 120.64 121.11 3gxi n GLU 235 Ca 0.08 0.45 0.18 0.00 -0.02 0.00 0.00 57.16 57.84 3gxi n GLU 235 Cb 0.45 -2.60 0.98 0.00 -0.02 0.00 0.00 31.44 30.24 3gxi n GLU 235 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3gxi h PRO 236 N -1.44 0.00 0.00 3.49 0.13 -1.75 -1.52 132.00 130.91 3gxi h PRO 236 Ca -0.66 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.43 3gxi h PRO 236 Cb 1.39 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.51 3gxi h PRO 236 CO 0.44 0.03 -0.23 0.66 -0.23 0.00 0.00 178.00 178.67 3gxi h SER 237 N 0.00 0.00 -0.75 1.44 4.64 -1.87 -2.23 113.55 114.78 3gxi h SER 237 Ca -0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 3gxi h SER 237 Cb 0.11 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.16 3gxi h SER 237 CO 0.00 0.23 0.31 0.00 -0.87 0.00 0.00 176.83 176.50 3gxi h ALA 238 N 1.77 1.10 0.00 5.18 0.00 -1.61 -2.56 119.26 123.15 3gxi h ALA 238 Ca -0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3gxi h ALA 238 Cb 0.65 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3gxi h ALA 238 CO 0.03 0.64 0.00 0.41 0.00 0.00 0.00 179.25 180.33 3gxi n GLY 239 N -0.92 -0.57 0.21 0.00 0.00 -1.16 -2.13 105.19 100.62 3gxi n GLY 239 Ca 0.07 -0.11 0.12 0.00 0.00 0.00 0.00 46.02 46.10 3gxi n GLY 239 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gxi n LEU 240 N -1.01 1.02 -4.64 0.99 4.77 -0.96 -1.07 117.00 116.10 3gxi n LEU 240 Ca 0.13 -0.27 -0.36 0.00 -0.03 0.00 0.00 56.01 55.48 3gxi n LEU 240 Cb 0.07 -0.13 -0.10 0.00 -2.33 0.00 0.00 43.42 40.93 3gxi n LEU 240 CO 0.10 0.20 -0.21 -0.76 -1.33 0.00 0.00 177.39 175.39 3gxi s LEU 241 N -2.63 3.96 0.18 2.23 1.43 -0.91 -4.93 118.68 118.02 3gxi s LEU 241 Ca 0.20 0.08 -0.33 0.00 -1.03 0.00 0.00 54.13 53.05 3gxi s LEU 241 Cb 0.19 -2.04 -0.15 0.00 0.03 0.00 0.00 46.19 44.22 3gxi s LEU 241 CO 0.58 0.10 1.30 -1.20 0.23 0.00 0.00 176.35 177.36 3gxi n SER 242 N 4.05 2.02 -0.74 2.29 7.64 -1.26 -2.29 113.62 125.32 3gxi n SER 242 Ca -0.16 1.13 -0.10 0.00 1.01 0.00 0.00 58.87 60.76 3gxi n SER 242 Cb 0.52 -1.30 -0.04 0.00 -1.01 0.00 0.00 64.21 62.37 3gxi n SER 242 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3gxi n GLY 243 N 2.25 1.00 3.67 0.23 0.00 -1.26 -4.87 105.19 106.22 3gxi n GLY 243 Ca 0.14 -0.11 -0.55 0.00 0.00 0.00 0.00 46.02 45.50 3gxi n GLY 243 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3gxi n TYR 244 N -2.36 1.93 0.19 1.61 9.36 -0.97 -4.73 117.16 122.19 3gxi n TYR 244 Ca -0.10 0.50 0.08 0.00 3.32 0.00 0.00 57.90 61.71 3gxi n TYR 244 Cb 0.50 -2.45 0.20 0.00 -0.63 0.00 0.00 39.34 36.96 3gxi n TYR 244 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 3gxi h PRO 245 N 6.58 0.00 0.00 2.98 0.13 -1.92 0.25 132.00 140.02 3gxi h PRO 245 Ca -0.47 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.35 3gxi h PRO 245 Cb 1.32 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.38 3gxi h PRO 245 CO 0.90 0.23 -0.26 1.97 -0.23 0.00 0.00 178.00 180.62 3gxi n PHE 246 N -3.19 0.12 -1.67 1.56 1.16 -1.26 -4.81 117.46 109.37 3gxi n PHE 246 Ca 0.02 -1.44 -0.53 0.00 -1.87 0.00 0.00 57.45 53.63 3gxi n PHE 246 Cb 0.58 -0.02 -0.06 0.00 -1.61 0.00 0.00 39.48 38.37 3gxi n PHE 246 CO 0.00 0.00 0.00 1.04 -1.87 0.00 0.00 176.76 175.93 3gxi n GLN 247 N -0.52 1.42 -3.95 3.97 3.00 -1.26 -4.34 117.38 115.71 3gxi n GLN 247 Ca -0.04 0.52 -0.09 0.00 -0.01 0.00 0.00 57.00 57.38 3gxi n GLN 247 Cb 0.34 -2.23 -0.04 0.00 0.00 0.00 0.00 30.24 28.31 3gxi n GLN 247 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3gxi s LEU 249 N -3.00 -0.79 0.21 0.00 2.96 -1.09 -4.42 118.68 112.55 3gxi s LEU 249 Ca 0.19 0.82 -0.30 0.00 -0.22 0.00 0.00 54.13 54.62 3gxi s LEU 249 Cb -0.02 1.49 -0.08 0.00 0.50 0.00 0.00 46.19 48.07 3gxi s LEU 249 CO 0.09 -0.25 1.08 -0.83 -1.32 0.00 0.00 176.35 175.11 3gxi s GLY 250 N 2.66 2.94 -0.06 7.98 0.00 0.03 -4.40 107.32 116.46 3gxi s GLY 250 Ca 0.05 0.81 -0.03 0.00 0.00 0.00 0.00 44.72 45.55 3gxi s GLY 250 CO -0.15 1.56 0.13 -1.36 0.00 0.00 0.00 173.10 173.27 3gxi s PHE 251 N -0.57 -0.13 0.87 1.90 0.40 -0.85 -4.41 117.98 115.19 3gxi s PHE 251 Ca 0.47 0.47 -0.11 0.00 -0.60 0.00 0.00 56.93 57.15 3gxi s PHE 251 Cb -0.29 -0.19 0.11 0.00 0.51 0.00 0.00 43.02 43.16 3gxi s PHE 251 CO 0.36 -0.19 1.09 0.95 0.70 0.00 0.00 175.22 178.13 3gxi s THR 252 N 1.61 2.78 0.42 0.64 -4.23 -1.26 -4.34 115.64 111.26 3gxi s THR 252 Ca -0.04 0.25 0.09 0.00 -1.18 0.00 0.00 61.69 60.81 3gxi s THR 252 Cb -0.12 -2.74 0.28 0.00 1.34 0.00 0.00 72.50 71.26 3gxi s THR 252 CO -0.05 -0.33 2.04 1.55 -0.54 0.00 0.00 174.62 177.29 3gxi h PRO 253 N -1.47 0.50 -0.34 3.99 0.13 -1.98 0.43 132.00 133.25 3gxi h PRO 253 Ca -0.48 -0.03 -0.05 0.00 -0.87 0.00 0.00 66.00 64.56 3gxi h PRO 253 Cb 1.27 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 3gxi h PRO 253 CO 0.54 0.33 0.01 0.93 -0.23 0.00 0.00 178.00 179.58 3gxi h GLU 254 N 0.52 0.60 -0.47 0.86 3.07 -1.93 0.15 114.58 117.38 3gxi h GLU 254 Ca 0.18 -0.19 -0.02 0.00 -0.50 0.00 0.00 59.36 58.83 3gxi h GLU 254 Cb 0.08 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 27.91 3gxi h GLU 254 CO -0.04 0.71 0.22 1.25 -1.40 0.00 0.00 179.01 179.75 3gxi h HIS 255 N 0.41 0.69 -0.31 4.33 2.76 -1.79 -0.32 115.15 120.92 3gxi h HIS 255 Ca 0.10 -0.04 0.02 0.00 -2.20 0.00 0.00 60.37 58.25 3gxi h HIS 255 Cb 0.44 -0.21 -0.03 0.00 1.55 0.00 0.00 27.41 29.16 3gxi h HIS 255 CO 0.03 0.56 0.15 0.37 -1.30 0.00 0.00 177.93 177.74 3gxi h GLN 256 N 0.62 0.31 -0.45 5.26 4.15 -0.68 0.13 115.11 124.45 3gxi h GLN 256 Ca 0.16 -0.02 0.09 0.00 0.77 0.00 0.00 58.65 59.65 3gxi h GLN 256 Cb 0.13 -0.07 -0.08 0.00 0.21 0.00 0.00 27.48 27.67 3gxi h GLN 256 CO -0.02 0.21 -0.07 -0.09 -1.93 0.00 0.00 178.83 176.93 3gxi h ARG 257 N 0.32 0.04 -0.01 1.69 2.43 -0.34 -1.34 114.38 117.17 3gxi h ARG 257 Ca 0.13 -0.00 -0.23 0.00 -0.81 0.00 0.00 59.98 59.06 3gxi h ARG 257 Cb 0.05 -0.01 0.01 0.00 -0.42 0.00 0.00 29.97 29.60 3gxi h ARG 257 CO -0.09 0.03 -0.95 -0.44 -1.51 0.00 0.00 179.97 177.00 3gxi h ASP 258 N 0.04 0.65 -0.56 -3.80 3.32 -0.75 -0.68 116.42 114.64 3gxi h ASP 258 Ca 0.22 -0.51 0.04 0.00 0.02 0.00 0.00 57.03 56.80 3gxi h ASP 258 Cb 0.33 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.64 3gxi h ASP 258 CO -0.43 1.31 0.31 0.15 -1.72 0.00 0.00 179.24 178.86 3gxi h PHE 259 N 0.29 0.58 -0.07 4.55 3.57 -0.61 0.17 116.94 125.42 3gxi h PHE 259 Ca -0.09 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.42 3gxi h PHE 259 Cb 1.59 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 40.15 3gxi h PHE 259 CO 0.07 0.31 0.02 0.82 -2.23 0.00 0.00 178.31 177.30 3gxi h ILE 260 N 0.61 1.18 -0.32 1.41 2.04 -0.96 0.83 117.51 122.31 3gxi h ILE 260 Ca 0.24 -0.56 -0.03 0.00 1.00 0.00 0.00 64.86 65.51 3gxi h ILE 260 Cb 0.09 1.42 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 3gxi h ILE 260 CO -0.13 0.16 0.07 0.00 0.00 0.00 0.00 178.15 178.24 3gxi h ALA 261 N 0.81 0.42 0.07 1.87 0.00 -1.00 0.83 119.26 122.26 3gxi h ALA 261 Ca 0.02 -0.18 -0.29 0.00 0.00 0.00 0.00 54.91 54.46 3gxi h ALA 261 Cb 0.23 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3gxi h ALA 261 CO -0.00 0.10 -1.52 0.00 0.00 0.00 0.00 179.25 177.83 3gxi h ARG 262 N 0.35 0.14 0.00 0.00 2.47 -0.72 -3.41 114.38 113.21 3gxi h ARG 262 Ca 0.10 -0.24 0.00 0.00 -1.26 0.00 0.00 59.98 58.58 3gxi h ARG 262 Cb 0.32 0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.73 3gxi h ARG 262 CO 0.00 0.93 0.00 -0.25 0.56 0.00 0.00 179.97 181.21 3gxi n ASP 263 N -3.32 0.27 -0.02 7.04 8.00 -0.25 -4.73 116.55 123.54 3gxi n ASP 263 Ca -0.15 0.06 -0.11 0.00 0.71 0.00 0.00 54.79 55.30 3gxi n ASP 263 Cb 1.03 -0.06 -0.06 0.00 -0.02 0.00 0.00 41.12 42.00 3gxi n ASP 263 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3gxi h LEU 264 N 0.00 0.15 0.14 0.64 5.85 -0.99 -1.82 115.31 119.28 3gxi h LEU 264 Ca 0.00 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.58 3gxi h LEU 264 Cb 0.00 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 3gxi h LEU 264 CO 0.00 0.25 -0.33 1.23 -0.34 0.00 0.00 178.44 179.25 3gxi h GLY 265 N 0.04 -1.15 0.77 3.75 0.00 -1.04 0.02 103.07 105.45 3gxi h GLY 265 Ca 0.04 0.57 0.05 0.00 0.00 0.00 0.00 47.33 47.98 3gxi h GLY 265 CO -0.00 -0.34 0.42 -2.55 0.00 0.00 0.00 176.54 174.07 3gxi h PRO 266 N -0.52 0.77 -0.25 4.80 0.11 -1.75 0.17 132.00 135.34 3gxi h PRO 266 Ca -0.01 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.04 3gxi h PRO 266 Cb 0.50 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.42 3gxi h PRO 266 CO -0.14 0.51 0.13 1.15 -0.21 0.00 0.00 178.00 179.44 3gxi h THR 267 N 0.80 1.13 -0.62 -1.15 2.02 -1.24 -0.70 112.91 113.13 3gxi h THR 267 Ca 0.30 -0.35 -0.09 0.00 0.77 0.00 0.00 66.41 67.04 3gxi h THR 267 Cb 0.11 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 67.41 3gxi h THR 267 CO -0.15 0.13 0.02 -0.07 0.37 0.00 0.00 175.52 175.82 3gxi h LEU 268 N 0.28 1.06 -1.38 2.58 3.38 -0.68 -2.91 115.31 117.64 3gxi h LEU 268 Ca 0.09 -0.30 0.01 0.00 0.09 0.00 0.00 57.88 57.77 3gxi h LEU 268 Cb 0.09 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 3gxi h LEU 268 CO -0.01 1.10 0.42 0.00 0.09 0.00 0.00 178.44 180.03 3gxi h ALA 269 N 1.00 1.55 -0.05 1.53 0.00 -0.76 -2.34 119.26 120.19 3gxi h ALA 269 Ca 0.18 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3gxi h ALA 269 Cb 0.54 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3gxi h ALA 269 CO 0.03 0.42 0.00 -1.71 0.00 0.00 0.00 179.25 177.98 3gxi n ASN 270 N -4.44 0.42 -4.88 0.00 5.15 -0.29 -4.70 115.26 106.53 3gxi n ASN 270 Ca 0.06 -1.56 -0.21 0.00 -0.60 0.00 0.00 54.58 52.27 3gxi n ASN 270 Cb 0.04 -0.03 -0.03 0.00 -0.53 0.00 0.00 39.78 39.23 3gxi n ASN 270 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 3gxi s SER 271 N -1.50 4.98 0.37 1.20 1.04 -0.88 -4.99 113.70 113.91 3gxi s SER 271 Ca 0.26 -0.82 0.27 0.00 0.48 0.00 0.00 55.95 56.15 3gxi s SER 271 Cb 0.13 -0.44 1.17 0.00 0.10 0.00 0.00 66.02 66.97 3gxi s SER 271 CO 0.20 -0.71 1.82 0.71 0.98 0.00 0.00 173.24 176.23 3gxi h THR 272 N 0.99 0.00 -0.78 2.02 1.35 -1.90 -3.03 112.91 111.57 3gxi h THR 272 Ca -0.41 -0.29 -0.34 0.00 -0.55 0.00 0.00 66.41 64.82 3gxi h THR 272 Cb 1.27 1.10 -0.21 0.00 -1.73 0.00 0.00 68.15 68.58 3gxi h THR 272 CO 0.57 0.00 0.44 1.41 -0.25 0.00 0.00 175.52 177.69 3gxi n HIS 273 N -2.53 2.46 0.32 4.73 8.25 -1.26 -4.64 115.22 122.54 3gxi n HIS 273 Ca 0.01 -1.42 0.21 0.00 -0.26 0.00 0.00 57.72 56.26 3gxi n HIS 273 Cb 0.23 -0.76 1.08 0.00 1.12 0.00 0.00 29.99 31.66 3gxi n HIS 273 CO 0.00 0.00 0.00 1.12 0.64 0.00 0.00 176.34 178.10 3gxi h HIS 274 N 1.46 0.00 0.00 4.41 -0.00 -1.58 -1.59 115.15 117.85 3gxi h HIS 274 Ca 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.79 3gxi h HIS 274 Cb 2.43 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 29.84 3gxi h HIS 274 CO 1.28 0.01 0.00 -0.91 -0.00 0.00 0.00 177.93 178.31 3gxi h ASN 275 N 0.00 0.00 -2.76 3.10 2.35 -1.89 -3.45 115.58 112.93 3gxi h ASN 275 Ca -0.00 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.22 3gxi h ASN 275 Cb 0.11 0.00 0.04 0.00 0.05 0.00 0.00 38.32 38.52 3gxi h ASN 275 CO 0.00 0.00 0.93 -0.69 -1.65 0.00 0.00 177.43 176.02 3gxi s VAL 276 N -3.28 2.72 0.60 2.81 1.01 -0.60 -4.97 120.40 118.68 3gxi s VAL 276 Ca 0.06 0.42 -0.11 0.00 0.00 0.00 0.00 61.98 62.35 3gxi s VAL 276 Cb 0.10 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 3gxi s VAL 276 CO 0.48 0.02 1.00 -0.13 0.00 0.00 0.00 175.10 176.47 3gxi s ARG 277 N 1.67 3.63 -0.12 2.72 1.81 -0.40 -4.88 118.95 123.37 3gxi s ARG 277 Ca 0.72 0.71 0.02 0.00 -1.72 0.00 0.00 55.73 55.46 3gxi s ARG 277 Cb -0.43 -2.12 0.00 0.00 -0.45 0.00 0.00 34.95 31.96 3gxi s ARG 277 CO 0.32 -0.50 -0.21 -1.17 -0.68 0.00 0.00 175.30 173.06 3gxi s LEU 278 N -5.03 2.23 -0.10 2.53 2.96 -1.26 -1.06 118.68 118.96 3gxi s LEU 278 Ca 0.55 -0.53 -0.02 0.00 -0.22 0.00 0.00 54.13 53.91 3gxi s LEU 278 Cb -0.11 -1.47 -0.03 0.00 0.50 0.00 0.00 46.19 45.08 3gxi s LEU 278 CO 0.51 0.13 -0.03 -0.76 -1.32 0.00 0.00 176.35 174.88 3gxi s LEU 279 N 0.55 3.40 0.50 -0.68 1.43 0.13 -0.46 118.68 123.55 3gxi s LEU 279 Ca -0.12 0.04 0.07 0.00 -1.03 0.00 0.00 54.13 53.08 3gxi s LEU 279 Cb -0.17 -1.78 0.04 0.00 0.03 0.00 0.00 46.19 44.32 3gxi s LEU 279 CO 0.04 0.33 0.68 0.00 0.23 0.00 0.00 176.35 177.63 3gxi s MET 280 N -0.58 2.58 0.00 1.70 0.23 -0.30 -1.14 119.30 121.79 3gxi s MET 280 Ca 0.09 -1.28 0.00 0.00 -1.03 0.00 0.00 55.69 53.47 3gxi s MET 280 Cb -0.12 -2.67 0.00 0.00 -1.53 0.00 0.00 34.83 30.51 3gxi s MET 280 CO 0.02 -0.56 0.00 -0.11 -2.03 0.00 0.00 175.02 172.34 3gxi n LEU 281 N -2.08 0.00 -3.92 0.18 7.94 -1.26 -0.60 117.00 117.26 3gxi n LEU 281 Ca 0.11 0.00 -0.25 0.00 -1.11 0.00 0.00 56.01 54.76 3gxi n LEU 281 Cb 0.60 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.53 3gxi n LEU 281 CO 0.40 0.00 -0.21 -0.67 -1.11 0.00 0.00 177.39 175.80 3gxi n ASP 282 N 3.35 -0.49 -2.93 1.96 2.03 -0.13 -4.27 116.55 116.07 3gxi n ASP 282 Ca 0.00 -0.99 -0.11 0.00 0.52 0.00 0.00 54.79 54.21 3gxi n ASP 282 Cb 0.00 -3.17 0.01 0.00 -0.72 0.00 0.00 41.12 37.24 3gxi n ASP 282 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3gxi s ASP 283 N -4.36 0.35 0.35 1.67 -1.08 -1.16 -0.12 116.67 112.32 3gxi s ASP 283 Ca 0.01 -1.30 -0.28 0.00 -0.52 0.00 0.00 52.55 50.46 3gxi s ASP 283 Cb -0.00 0.81 -0.12 0.00 -1.46 0.00 0.00 42.92 42.14 3gxi s ASP 283 CO 0.88 -1.60 1.30 0.00 0.52 0.00 0.00 175.17 176.27 3gxi n GLN 284 N -0.56 2.16 0.04 4.34 1.13 -1.26 -0.92 117.38 122.31 3gxi n GLN 284 Ca -0.06 0.76 0.10 0.00 -1.94 0.00 0.00 57.00 55.86 3gxi n GLN 284 Cb 0.60 -2.35 0.40 0.00 0.11 0.00 0.00 30.24 29.00 3gxi n GLN 284 CO 0.00 0.00 0.00 2.89 -1.44 0.00 0.00 177.06 178.51 3gxi n ARG 285 N 0.53 0.07 0.32 -1.09 1.85 -1.23 -1.91 116.66 115.19 3gxi n ARG 285 Ca 0.04 0.26 0.20 0.00 -1.00 0.00 0.00 57.85 57.35 3gxi n ARG 285 Cb 0.36 -1.62 1.08 0.00 -1.05 0.00 0.00 32.46 31.24 3gxi n ARG 285 CO 0.00 0.00 0.00 1.37 -0.01 0.00 0.00 177.63 178.99 3gxi h LEU 286 N 0.00 0.00 -0.03 2.89 8.10 -1.91 -1.85 115.31 122.51 3gxi h LEU 286 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 3gxi h LEU 286 Cb 0.34 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.56 3gxi h LEU 286 CO 0.00 0.01 0.00 0.18 -4.11 0.00 0.00 178.44 174.52 3gxi n LEU 287 N -3.37 0.04 -4.81 0.17 4.77 -0.80 -4.79 117.00 108.21 3gxi n LEU 287 Ca -0.03 -0.02 -0.26 0.00 -0.03 0.00 0.00 56.01 55.68 3gxi n LEU 287 Cb 0.09 -0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.13 3gxi n LEU 287 CO 0.23 0.01 -0.21 -0.76 -1.33 0.00 0.00 177.39 175.33 3gxi s LEU 288 N -1.96 3.82 0.00 2.23 1.43 -0.70 -1.31 118.68 122.19 3gxi s LEU 288 Ca 0.46 -0.14 0.28 0.00 -1.03 0.00 0.00 54.13 53.70 3gxi s LEU 288 Cb 0.21 -2.42 1.39 0.00 0.03 0.00 0.00 46.19 45.40 3gxi s LEU 288 CO 0.35 0.05 1.96 -0.81 0.23 0.00 0.00 176.35 178.14 3gxi n PRO 289 N -0.48 0.33 -0.12 1.29 -0.04 -1.26 -4.67 135.00 130.05 3gxi n PRO 289 Ca -0.08 0.02 -0.06 0.00 -0.04 0.00 0.00 63.50 63.34 3gxi n PRO 289 Cb 0.55 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 3gxi n PRO 289 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3gxi h HIS 290 N 0.00 -0.67 -1.01 0.54 2.76 -1.92 -1.55 115.15 113.30 3gxi h HIS 290 Ca 0.00 0.05 0.02 0.00 -2.20 0.00 0.00 60.37 58.24 3gxi h HIS 290 Cb 0.31 0.36 -0.05 0.00 1.55 0.00 0.00 27.41 29.57 3gxi h HIS 290 CO 0.00 -0.33 0.66 -1.49 -1.30 0.00 0.00 177.93 175.48 3gxi h TRP 291 N -0.18 1.26 -0.47 5.26 4.06 -1.56 -1.86 115.95 122.45 3gxi h TRP 291 Ca 0.19 0.03 -0.04 0.00 2.06 0.00 0.00 58.89 61.13 3gxi h TRP 291 Cb 0.49 -0.42 -0.02 0.00 -1.00 0.00 0.00 29.16 28.20 3gxi h TRP 291 CO -0.48 0.77 0.14 0.00 -3.56 0.00 0.00 178.44 175.30 3gxi h ALA 292 N 1.39 0.62 -0.17 1.49 0.00 -1.56 -2.26 119.26 118.77 3gxi h ALA 292 Ca 0.38 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 55.11 3gxi h ALA 292 Cb -0.10 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3gxi h ALA 292 CO -0.10 0.29 0.10 0.87 0.00 0.00 0.00 179.25 180.40 3gxi h LYS 293 N 0.63 0.20 -0.31 0.00 1.57 -0.99 0.36 116.57 118.03 3gxi h LYS 293 Ca 0.15 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.96 3gxi h LYS 293 Cb 0.29 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.52 3gxi h LYS 293 CO -0.00 0.13 0.08 0.28 -0.57 0.00 0.00 179.45 179.36 3gxi h VAL 294 N 0.20 0.87 -0.02 0.50 2.07 -1.23 -1.26 116.25 117.38 3gxi h VAL 294 Ca 0.06 -0.07 -0.06 0.00 0.82 0.00 0.00 66.70 67.46 3gxi h VAL 294 Cb -0.01 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 3gxi h VAL 294 CO -0.03 0.04 -0.22 0.58 0.02 0.00 0.00 177.57 177.95 3gxi h VAL 295 N 0.19 1.51 0.00 2.57 2.07 -1.30 -3.38 116.25 117.92 3gxi h VAL 295 Ca 0.14 -1.82 0.00 0.00 0.82 0.00 0.00 66.70 65.84 3gxi h VAL 295 Cb 0.14 2.63 0.00 0.00 -1.52 0.00 0.00 31.29 32.54 3gxi h VAL 295 CO -0.18 0.50 -0.53 0.18 0.02 0.00 0.00 177.57 177.57 3gxi n LEU 296 N -4.53 0.62 -0.18 2.57 4.77 0.13 -2.82 117.00 117.57 3gxi n LEU 296 Ca -0.09 0.22 0.15 0.00 -0.03 0.00 0.00 56.01 56.25 3gxi n LEU 296 Cb 0.47 -0.22 0.78 0.00 -2.33 0.00 0.00 43.42 42.12 3gxi n LEU 296 CO 0.39 -0.02 1.01 0.35 -1.33 0.00 0.00 177.39 177.79 3gxi n THR 297 N -1.96 0.00 -3.43 -5.08 -2.24 -0.49 -4.50 114.28 96.59 3gxi n THR 297 Ca 0.04 -0.09 -0.44 0.00 -2.27 0.00 0.00 64.05 61.29 3gxi n THR 297 Cb 0.41 -0.13 -0.08 0.00 -2.10 0.00 0.00 70.33 68.43 3gxi n THR 297 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3gxi s ASP 298 N -1.98 6.05 0.56 3.42 -1.08 -1.13 -4.98 116.67 117.54 3gxi s ASP 298 Ca 0.44 -1.36 0.25 0.00 -0.52 0.00 0.00 52.55 51.35 3gxi s ASP 298 Cb 0.21 -2.15 1.53 0.00 -1.46 0.00 0.00 42.92 41.05 3gxi s ASP 298 CO 0.35 -0.63 2.10 1.55 0.52 0.00 0.00 175.17 179.06 3gxi h PRO 299 N 8.69 0.00 0.00 4.34 0.13 -1.85 0.33 132.00 143.64 3gxi h PRO 299 Ca -0.27 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.78 3gxi h PRO 299 Cb 1.11 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 3gxi h PRO 299 CO 0.86 0.00 -0.35 1.49 -0.23 0.00 0.00 178.00 179.77 3gxi h GLU 300 N 0.00 0.00 0.08 0.86 4.57 -1.93 -2.47 114.58 115.68 3gxi h GLU 300 Ca 0.10 0.00 -0.31 0.00 -1.18 0.00 0.00 59.36 57.97 3gxi h GLU 300 Cb 0.46 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.02 3gxi h GLU 300 CO -0.00 0.35 -1.69 0.00 -1.18 0.00 0.00 179.01 176.48 3gxi n ALA 301 N -2.31 0.84 -0.34 2.92 0.00 -0.30 -4.35 120.51 116.97 3gxi n ALA 301 Ca -0.01 -0.54 0.15 0.00 0.00 0.00 0.00 53.44 53.04 3gxi n ALA 301 Cb 0.46 -0.64 0.34 0.00 0.00 0.00 0.00 19.45 19.62 3gxi n ALA 301 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gxi h ALA 302 N -0.17 1.65 0.00 0.00 0.00 -0.44 -0.04 119.26 120.27 3gxi h ALA 302 Ca -0.39 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3gxi h ALA 302 Cb 1.74 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.54 3gxi h ALA 302 CO -0.03 -0.22 0.00 1.57 0.00 0.00 0.00 179.25 180.56 3gxi h LYS 303 N 0.59 0.00 0.00 0.00 2.10 -1.66 -2.44 116.57 115.16 3gxi h LYS 303 Ca 0.60 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.25 3gxi h LYS 303 Cb 1.08 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.41 3gxi h LYS 303 CO -0.46 0.00 -1.16 0.66 -2.00 0.00 0.00 179.45 176.50 3gxi n TYR 304 N -2.48 0.00 -3.34 0.07 0.53 -0.04 -4.92 117.16 106.97 3gxi n TYR 304 Ca 0.01 0.00 -0.39 0.00 -1.02 0.00 0.00 57.90 56.49 3gxi n TYR 304 Cb 0.19 -0.10 -0.08 0.00 -1.03 0.00 0.00 39.34 38.32 3gxi n TYR 304 CO 0.00 0.00 0.00 0.08 -1.02 0.00 0.00 176.86 175.92 3gxi s VAL 305 N -3.01 5.15 -0.01 -0.72 1.01 -0.92 -4.34 120.40 117.56 3gxi s VAL 305 Ca 0.04 0.69 0.06 0.00 0.00 0.00 0.00 61.98 62.77 3gxi s VAL 305 Cb 0.15 -3.74 -0.24 0.00 0.00 0.00 0.00 36.38 32.55 3gxi s VAL 305 CO 0.83 0.15 0.80 -0.74 0.00 0.00 0.00 175.10 176.14 3gxi h HIS 306 N 7.98 0.15 -2.75 5.22 2.76 -1.07 -3.49 115.15 123.95 3gxi h HIS 306 Ca -0.32 -0.11 0.10 0.00 -2.20 0.00 0.00 60.37 57.85 3gxi h HIS 306 Cb 1.16 -0.01 -0.05 0.00 1.55 0.00 0.00 27.41 30.06 3gxi h HIS 306 CO 0.74 1.16 0.34 0.20 -1.30 0.00 0.00 177.93 179.08 3gxi s GLY 307 N -5.04 -0.07 -0.20 5.26 0.00 -1.16 -3.25 107.32 102.85 3gxi s GLY 307 Ca -0.06 -0.22 0.01 0.00 0.00 0.00 0.00 44.72 44.44 3gxi s GLY 307 CO 0.82 0.06 -0.16 -0.42 0.00 0.00 0.00 173.10 173.41 3gxi s ILE 308 N -3.41 2.28 -0.06 0.90 1.01 0.44 -1.15 121.20 121.22 3gxi s ILE 308 Ca 0.13 -1.02 -0.16 0.00 0.00 0.00 0.00 60.65 59.60 3gxi s ILE 308 Cb -0.04 -2.05 -0.05 0.00 0.01 0.00 0.00 42.46 40.33 3gxi s ILE 308 CO 0.06 0.40 0.42 0.00 0.00 0.00 0.00 174.94 175.83 3gxi s ALA 309 N 1.28 3.60 0.16 9.38 0.00 0.23 -1.19 121.76 135.22 3gxi s ALA 309 Ca 0.02 -0.23 0.09 0.00 0.00 0.00 0.00 51.96 51.85 3gxi s ALA 309 Cb -0.15 -2.49 -0.04 0.00 0.00 0.00 0.00 23.12 20.44 3gxi s ALA 309 CO -0.10 0.26 -0.21 0.14 0.00 0.00 0.00 175.76 175.85 3gxi s VAL 310 N -0.28 1.99 0.15 0.00 -7.23 0.89 -0.96 120.40 114.96 3gxi s VAL 310 Ca 0.24 -1.86 0.09 0.00 -1.81 0.00 0.00 61.98 58.64 3gxi s VAL 310 Cb -0.16 -1.88 -0.04 0.00 0.56 0.00 0.00 36.38 34.86 3gxi s VAL 310 CO 0.11 -0.17 -0.15 -1.00 -0.31 0.00 0.00 175.10 173.58 3gxi s HIS 311 N -1.68 2.55 0.01 2.82 3.76 -0.10 -0.79 115.29 121.86 3gxi s HIS 311 Ca 0.15 -0.26 0.00 0.00 -0.15 0.00 0.00 55.06 54.81 3gxi s HIS 311 Cb -0.08 -1.30 -0.01 0.00 1.11 0.00 0.00 32.58 32.31 3gxi s HIS 311 CO 0.07 0.45 -0.01 -0.46 -0.85 0.00 0.00 174.74 173.94 3gxi s TRP 312 N -1.43 0.12 -0.39 1.40 -0.11 -0.67 -3.57 118.94 114.27 3gxi s TRP 312 Ca 0.21 -0.22 -0.17 0.00 1.22 0.00 0.00 56.10 57.15 3gxi s TRP 312 Cb -0.10 -0.08 0.01 0.00 -1.50 0.00 0.00 33.47 31.80 3gxi s TRP 312 CO 0.12 -0.08 0.42 0.71 -4.62 0.00 0.00 176.95 173.51 3gxi s TYR 313 N -0.60 3.18 0.22 5.86 1.51 -1.26 -2.95 117.35 123.31 3gxi s TYR 313 Ca -0.06 -0.23 0.34 0.00 -1.01 0.00 0.00 57.07 56.11 3gxi s TYR 313 Cb -0.04 -2.84 1.50 0.00 -0.11 0.00 0.00 41.96 40.47 3gxi s TYR 313 CO -0.00 -0.62 2.04 -0.07 -1.11 0.00 0.00 175.55 175.79 3gxi h LEU 314 N 8.98 0.00 0.00 -1.29 3.38 -1.52 -2.19 115.31 122.68 3gxi h LEU 314 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 3gxi h LEU 314 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 3gxi h LEU 314 CO 0.77 0.03 0.00 0.47 0.09 0.00 0.00 178.44 179.80 3gxi n ASP 315 N -3.17 0.00 -4.74 -0.43 10.43 -1.26 -4.75 116.55 112.63 3gxi n ASP 315 Ca -0.00 0.42 -0.25 0.00 2.57 0.00 0.00 54.79 57.52 3gxi n ASP 315 Cb 0.27 -0.45 -0.06 0.00 1.84 0.00 0.00 41.12 42.72 3gxi n ASP 315 CO 0.00 0.00 0.00 -0.36 -1.07 0.00 0.00 177.20 175.77 3gxi s PHE 316 N -2.90 3.00 0.26 1.24 0.40 -0.82 -5.11 117.98 114.03 3gxi s PHE 316 Ca 0.06 -0.09 -0.03 0.00 -0.60 0.00 0.00 56.93 56.27 3gxi s PHE 316 Cb 0.07 -1.42 -0.05 0.00 0.51 0.00 0.00 43.02 42.13 3gxi s PHE 316 CO 0.19 0.53 0.49 -0.51 0.70 0.00 0.00 175.22 176.61 3gxi s LEU 317 N -3.20 4.12 0.00 -0.37 1.43 -1.26 -4.94 118.68 114.46 3gxi s LEU 317 Ca 0.30 0.57 0.00 0.00 -1.03 0.00 0.00 54.13 53.97 3gxi s LEU 317 Cb -0.09 -3.37 0.00 0.00 0.03 0.00 0.00 46.19 42.75 3gxi s LEU 317 CO 0.22 -0.14 0.00 0.00 0.23 0.00 0.00 176.35 176.66 3gxi n ALA 318 N -0.87 0.00 -2.87 4.21 0.00 -1.26 -5.08 120.51 114.63 3gxi n ALA 318 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.07 3gxi n ALA 318 Cb 0.54 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.94 3gxi n ALA 318 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3gxi s PRO 319 N 0.00 3.47 -0.05 0.00 0.04 -1.26 -4.97 135.00 132.23 3gxi s PRO 319 Ca 0.00 -0.25 0.06 0.00 0.04 0.00 0.00 61.00 60.85 3gxi s PRO 319 Cb 0.00 -3.11 -0.24 0.00 0.04 0.00 0.00 34.50 31.19 3gxi s PRO 319 CO 0.00 0.69 0.66 0.00 0.04 0.00 0.00 177.00 178.38 3gxi h ALA 320 N 4.02 0.60 -0.17 8.56 0.00 -1.98 -3.36 119.26 126.93 3gxi h ALA 320 Ca -0.50 -1.37 0.05 0.00 0.00 0.00 0.00 54.91 53.09 3gxi h ALA 320 Cb 1.20 0.48 -0.05 0.00 0.00 0.00 0.00 17.79 19.41 3gxi h ALA 320 CO 0.67 1.45 -0.18 -0.22 0.00 0.00 0.00 179.25 180.97 3gxi h LYS 321 N 0.03 -0.19 0.00 0.00 1.63 -1.97 0.58 116.57 116.64 3gxi h LYS 321 Ca -0.30 0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.51 3gxi h LYS 321 Cb 2.01 0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 33.68 3gxi h LYS 321 CO 0.10 -0.13 -0.02 0.00 -3.45 0.00 0.00 179.45 175.94 3gxi h ALA 322 N 0.87 1.03 -0.17 5.00 0.00 -1.95 0.14 119.26 124.18 3gxi h ALA 322 Ca 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3gxi h ALA 322 Cb 0.37 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3gxi h ALA 322 CO -0.29 0.03 0.00 0.25 0.00 0.00 0.00 179.25 179.24 3gxi n THR 323 N -3.16 0.00 -0.16 0.00 -2.24 -0.84 -4.30 114.28 103.58 3gxi n THR 323 Ca -0.01 0.28 -0.09 0.00 -2.27 0.00 0.00 64.05 61.96 3gxi n THR 323 Cb 0.23 -1.27 -0.00 0.00 -2.10 0.00 0.00 70.33 67.19 3gxi n THR 323 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3gxi h LEU 324 N 0.00 0.69 0.02 3.22 3.38 -0.04 -1.88 115.31 120.70 3gxi h LEU 324 Ca 0.00 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.73 3gxi h LEU 324 Cb 0.00 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.57 3gxi h LEU 324 CO 0.00 0.75 -0.01 1.23 0.09 0.00 0.00 178.44 180.50 3gxi h GLY 325 N 0.60 -0.03 1.21 0.83 0.00 -0.07 -1.98 103.07 103.64 3gxi h GLY 325 Ca 0.14 0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.46 3gxi h GLY 325 CO 0.00 -0.01 0.38 -2.09 0.00 0.00 0.00 176.54 174.82 3gxi h GLU 326 N -0.30 1.03 -0.49 4.80 4.57 -0.84 -1.89 114.58 121.46 3gxi h GLU 326 Ca -0.00 -0.12 -0.08 0.00 -1.18 0.00 0.00 59.36 57.98 3gxi h GLU 326 Cb 0.28 -0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 28.66 3gxi h GLU 326 CO 0.01 0.77 0.01 1.15 -1.18 0.00 0.00 179.01 179.76 3gxi h THR 327 N 1.03 1.26 -0.68 0.32 2.02 -1.22 -1.97 112.91 113.67 3gxi h THR 327 Ca 0.26 -1.06 0.00 0.00 0.77 0.00 0.00 66.41 66.38 3gxi h THR 327 Cb 0.06 0.98 -0.03 0.00 -1.74 0.00 0.00 68.15 67.41 3gxi h THR 327 CO -0.04 0.37 0.43 -0.74 0.37 0.00 0.00 175.52 175.91 3gxi h HIS 328 N 0.72 0.87 -0.12 3.16 -0.00 -1.19 0.28 115.15 118.87 3gxi h HIS 328 Ca 0.14 0.01 0.04 0.00 -0.00 0.00 0.00 60.37 60.56 3gxi h HIS 328 Cb 0.50 -0.29 -0.05 0.00 -0.00 0.00 0.00 27.41 27.57 3gxi h HIS 328 CO 0.04 0.57 -0.17 -0.09 -0.00 0.00 0.00 177.93 178.27 3gxi h ARG 329 N 0.92 -0.22 -0.45 5.26 9.65 -1.07 -0.68 114.38 127.79 3gxi h ARG 329 Ca 0.25 0.01 -0.08 0.00 -1.10 0.00 0.00 59.98 59.06 3gxi h ARG 329 Cb -0.07 0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 28.54 3gxi h ARG 329 CO -0.05 -0.14 -0.04 -0.07 2.80 0.00 0.00 179.97 182.47 3gxi h LEU 330 N -0.22 0.81 -6.00 3.80 3.38 -1.23 -3.38 115.31 112.47 3gxi h LEU 330 Ca 0.09 -0.33 -0.57 0.00 0.09 0.00 0.00 57.88 57.17 3gxi h LEU 330 Cb 0.36 -0.22 -0.40 0.00 0.09 0.00 0.00 40.66 40.49 3gxi h LEU 330 CO -0.25 0.94 -0.89 0.49 0.09 0.00 0.00 178.44 178.83 3gxi n PHE 331 N -4.34 1.59 0.31 1.13 3.01 0.07 -4.96 117.46 114.27 3gxi n PHE 331 Ca -0.00 -3.85 0.17 0.00 1.01 0.00 0.00 57.45 54.78 3gxi n PHE 331 Cb 0.33 -0.45 0.74 0.00 -0.01 0.00 0.00 39.48 40.09 3gxi n PHE 331 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3gxi h PRO 332 N 3.85 0.00 -0.48 -1.08 0.13 -1.31 -2.20 132.00 130.91 3gxi h PRO 332 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3gxi h PRO 332 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 3gxi h PRO 332 CO 0.64 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.50 3gxi n ASN 333 N -2.85 3.43 -4.23 1.44 3.02 -1.26 -4.74 115.26 110.06 3gxi n ASN 333 Ca 0.00 -1.98 -0.38 0.00 -0.03 0.00 0.00 54.58 52.19 3gxi n ASN 333 Cb 0.23 -0.31 -0.11 0.00 -0.61 0.00 0.00 39.78 38.97 3gxi n ASN 333 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3gxi s THR 334 N -1.37 3.83 0.53 3.41 2.01 -0.83 -5.01 115.64 118.21 3gxi s THR 334 Ca 0.41 -1.48 -0.22 0.00 0.31 0.00 0.00 61.69 60.71 3gxi s THR 334 Cb 0.23 -3.36 -0.06 0.00 0.01 0.00 0.00 72.50 69.32 3gxi s THR 334 CO 0.31 -0.45 1.18 1.15 -0.69 0.00 0.00 174.62 176.13 3gxi n MET 335 N 4.80 1.45 -3.85 4.92 0.00 -1.20 -4.69 117.12 118.55 3gxi n MET 335 Ca -0.09 0.53 -0.36 0.00 0.00 0.00 0.00 57.70 57.78 3gxi n MET 335 Cb 0.43 -2.35 -0.07 0.00 0.00 0.00 0.00 33.22 31.22 3gxi n MET 335 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 3gxi s LEU 336 N -2.37 4.23 -0.02 3.17 1.43 -1.26 -0.42 118.68 123.43 3gxi s LEU 336 Ca 0.70 0.32 0.00 0.00 -1.03 0.00 0.00 54.13 54.12 3gxi s LEU 336 Cb -0.45 -2.06 0.02 0.00 0.03 0.00 0.00 46.19 43.73 3gxi s LEU 336 CO 0.51 0.29 0.01 0.12 0.23 0.00 0.00 176.35 177.51 3gxi s PHE 337 N -0.31 0.13 -0.44 0.29 5.36 -0.34 -0.09 117.98 122.58 3gxi s PHE 337 Ca 0.11 0.06 -0.20 0.00 -0.96 0.00 0.00 56.93 55.94 3gxi s PHE 337 Cb -0.12 -0.25 0.03 0.00 -0.34 0.00 0.00 43.02 42.34 3gxi s PHE 337 CO 0.01 -0.08 0.59 0.00 -1.46 0.00 0.00 175.22 174.28 3gxi s ALA 338 N 0.80 3.37 -0.72 11.12 0.00 -0.48 -0.07 121.76 135.77 3gxi s ALA 338 Ca -0.07 -1.34 0.23 0.00 0.00 0.00 0.00 51.96 50.78 3gxi s ALA 338 Cb -0.10 -3.24 0.11 0.00 0.00 0.00 0.00 23.12 19.88 3gxi s ALA 338 CO -0.02 -1.76 1.09 -1.13 0.00 0.00 0.00 175.76 173.94 3gxi n SER 339 N 6.09 0.64 -3.64 0.00 3.41 0.03 -0.85 113.62 119.30 3gxi n SER 339 Ca -0.04 -0.29 -0.08 0.00 -0.26 0.00 0.00 58.87 58.20 3gxi n SER 339 Cb 0.47 0.71 -0.07 0.00 -0.26 0.00 0.00 64.21 65.06 3gxi n SER 339 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3gxi s GLU 340 N -3.14 0.67 0.00 4.33 2.12 -1.16 -4.66 118.70 116.85 3gxi s GLU 340 Ca 0.05 1.03 -0.02 0.00 0.36 0.00 0.00 54.97 56.40 3gxi s GLU 340 Cb 0.15 0.20 -0.01 0.00 0.26 0.00 0.00 34.13 34.73 3gxi s GLU 340 CO 0.79 -0.12 0.02 0.00 -0.54 0.00 0.00 175.26 175.41 3gxi s ALA 341 N 1.19 -0.04 0.17 6.30 0.00 -1.00 -1.67 121.76 126.71 3gxi s ALA 341 Ca -0.06 -0.23 -0.18 0.00 0.00 0.00 0.00 51.96 51.49 3gxi s ALA 341 Cb -0.05 0.05 0.03 0.00 0.00 0.00 0.00 23.12 23.16 3gxi s ALA 341 CO -0.13 -0.11 0.50 0.00 0.00 0.00 0.00 175.76 176.02 3gxi s VAL 343 N -3.84 1.94 0.00 0.00 -7.23 -1.26 -1.12 120.40 108.89 3gxi s VAL 343 Ca 0.07 -2.14 0.00 0.00 -1.81 0.00 0.00 61.98 58.09 3gxi s VAL 343 Cb -0.00 -2.03 0.00 0.00 0.56 0.00 0.00 36.38 34.91 3gxi s VAL 343 CO -0.06 -0.44 0.00 0.61 -0.31 0.00 0.00 175.10 174.90 3gxi n GLY 344 N -0.17 1.99 0.00 2.32 0.00 -1.26 -1.86 105.19 106.21 3gxi n GLY 344 Ca -0.09 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.71 3gxi n GLY 344 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3gxi n SER 345 N 0.00 0.00 0.00 1.61 2.88 -1.26 -4.84 113.62 112.01 3gxi n SER 345 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3gxi n SER 345 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3gxi n SER 345 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 3gxi n LYS 346 N -0.92 0.00 0.00 -1.46 0.00 -1.26 -4.96 118.16 109.56 3gxi n LYS 346 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 3gxi n LYS 346 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 3gxi n LYS 346 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 3gxi n PHE 347 N 0.00 0.00 0.21 5.64 7.35 -1.26 -1.99 117.46 127.41 3gxi n PHE 347 Ca 0.00 0.00 0.12 0.00 -0.76 0.00 0.00 57.45 56.81 3gxi n PHE 347 Cb 0.00 0.00 0.13 0.00 0.35 0.00 0.00 39.48 39.96 3gxi n PHE 347 CO 0.00 0.00 0.00 0.11 -0.76 0.00 0.00 176.76 176.11 3gxi h TRP 348 N 0.00 0.00 -2.30 -5.13 0.09 -2.06 -3.47 115.95 103.09 3gxi h TRP 348 Ca 0.00 0.00 -0.56 0.00 0.09 0.00 0.00 58.89 58.42 3gxi h TRP 348 Cb 0.00 0.00 -0.14 0.00 0.08 0.00 0.00 29.16 29.10 3gxi h TRP 348 CO 0.00 0.00 -0.68 -1.21 0.09 0.00 0.00 178.44 176.64 3gxi s GLU 349 N -3.25 1.68 1.00 0.12 0.41 -0.84 -5.13 118.70 112.68 3gxi s GLU 349 Ca 0.05 -1.85 -0.15 0.00 -0.41 0.00 0.00 54.97 52.61 3gxi s GLU 349 Cb 0.07 -1.44 0.03 0.00 -1.78 0.00 0.00 34.13 31.01 3gxi s GLU 349 CO 0.70 0.10 0.12 0.94 -0.49 0.00 0.00 175.26 176.63 3gxi n GLN 350 N -0.68 -0.55 -0.03 1.61 -0.06 -1.26 -4.47 117.38 111.93 3gxi n GLN 350 Ca -0.05 -0.13 -0.15 0.00 -2.00 0.00 0.00 57.00 54.67 3gxi n GLN 350 Cb 0.63 -1.70 -0.09 0.00 -4.06 0.00 0.00 30.24 25.02 3gxi n GLN 350 CO 0.00 0.00 0.00 0.77 -0.20 0.00 0.00 177.06 177.63 3gxi h SER 351 N -1.60 0.35 -3.46 1.69 0.02 -1.88 -3.43 113.55 105.24 3gxi h SER 351 Ca -0.46 -0.64 -0.66 0.00 -0.84 0.00 0.00 61.79 59.19 3gxi h SER 351 Cb 1.31 -0.10 -0.29 0.00 0.14 0.00 0.00 62.40 63.46 3gxi h SER 351 CO 0.34 0.93 -0.71 -0.69 -1.14 0.00 0.00 176.83 175.55 3gxi s VAL 352 N -3.67 3.33 -0.51 2.27 1.01 -1.26 -1.94 120.40 119.62 3gxi s VAL 352 Ca -0.15 -0.67 -0.02 0.00 0.00 0.00 0.00 61.98 61.14 3gxi s VAL 352 Cb 0.03 -2.59 0.13 0.00 0.00 0.00 0.00 36.38 33.95 3gxi s VAL 352 CO 0.76 0.31 0.31 -0.13 0.00 0.00 0.00 175.10 176.35 3gxi s ARG 353 N 1.44 2.25 -0.20 2.72 0.52 -1.26 -5.01 118.95 119.41 3gxi s ARG 353 Ca 0.04 -2.20 -0.28 0.00 -0.52 0.00 0.00 55.73 52.77 3gxi s ARG 353 Cb -0.15 -3.63 -0.05 0.00 0.52 0.00 0.00 34.95 31.64 3gxi s ARG 353 CO -0.03 -1.12 2.06 -0.51 0.02 0.00 0.00 175.30 175.73 3gxi s LEU 354 N 0.50 3.64 0.00 2.53 1.43 -1.26 -2.20 118.68 123.31 3gxi s LEU 354 Ca 0.13 1.89 0.00 0.00 -1.03 0.00 0.00 54.13 55.11 3gxi s LEU 354 Cb -0.22 -3.52 0.00 0.00 0.03 0.00 0.00 46.19 42.49 3gxi s LEU 354 CO -0.04 -1.73 0.00 0.61 0.23 0.00 0.00 176.35 175.42 3gxi n GLY 355 N 5.43 0.98 3.59 -3.19 0.00 -1.26 -4.31 105.19 106.42 3gxi n GLY 355 Ca 0.26 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 3gxi n GLY 355 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3gxi s SER 356 N -2.01 5.70 0.27 1.61 0.15 -0.93 -0.79 113.70 117.69 3gxi s SER 356 Ca 0.00 1.24 -0.03 0.00 0.70 0.00 0.00 55.95 57.87 3gxi s SER 356 Cb 0.00 -2.52 0.35 0.00 -1.71 0.00 0.00 66.02 62.14 3gxi s SER 356 CO 0.00 -1.88 1.82 -0.25 1.20 0.00 0.00 173.24 174.13 3gxi h TRP 357 N 13.70 0.94 -0.93 3.44 2.91 -1.90 -2.96 115.95 131.15 3gxi h TRP 357 Ca -0.33 -0.08 0.03 0.00 1.13 0.00 0.00 58.89 59.64 3gxi h TRP 357 Cb 1.18 -0.28 -0.05 0.00 -0.51 0.00 0.00 29.16 29.50 3gxi h TRP 357 CO 0.97 0.76 0.60 0.22 -1.03 0.00 0.00 178.44 179.96 3gxi h ASP 358 N 0.89 1.01 -0.31 2.65 3.58 -1.98 -0.14 116.42 122.11 3gxi h ASP 358 Ca 0.20 -0.01 -0.11 0.00 0.42 0.00 0.00 57.03 57.53 3gxi h ASP 358 Cb 0.27 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.07 3gxi h ASP 358 CO -0.01 0.70 -0.19 0.03 -2.88 0.00 0.00 179.24 176.89 3gxi h ARG 359 N 1.18 0.78 -0.20 0.28 3.08 -1.95 -1.86 114.38 115.69 3gxi h ARG 359 Ca 0.36 -0.30 0.03 0.00 0.07 0.00 0.00 59.98 60.14 3gxi h ARG 359 Cb -0.02 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 29.96 3gxi h ARG 359 CO -0.11 0.91 0.02 0.78 -1.07 0.00 0.00 179.97 180.50 3gxi h GLY 360 N 0.97 0.21 1.57 0.04 0.00 -1.24 -2.76 103.07 101.87 3gxi h GLY 360 Ca 0.10 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.49 3gxi h GLY 360 CO 0.05 -0.02 0.16 -0.33 0.00 0.00 0.00 176.54 176.40 3gxi h MET 361 N 0.10 0.00 -0.38 4.80 2.86 -0.63 -1.47 114.93 120.21 3gxi h MET 361 Ca 0.09 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.58 3gxi h MET 361 Cb 0.10 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.76 3gxi h MET 361 CO -0.14 0.00 -0.37 1.96 1.06 0.00 0.00 176.91 179.43 3gxi h GLN 362 N 0.00 0.92 0.64 1.72 4.20 -1.08 -1.04 115.11 120.48 3gxi h GLN 362 Ca 0.10 -0.48 -0.03 0.00 0.06 0.00 0.00 58.65 58.30 3gxi h GLN 362 Cb 0.41 0.02 0.01 0.00 0.30 0.00 0.00 27.48 28.21 3gxi h GLN 362 CO -0.00 1.13 -0.31 1.88 -0.67 0.00 0.00 178.83 180.86 3gxi h TYR 363 N 0.73 -0.80 -0.43 2.96 -1.99 -1.03 -0.71 116.97 115.70 3gxi h TYR 363 Ca 0.06 -0.02 -0.08 0.00 2.00 0.00 0.00 58.73 60.70 3gxi h TYR 363 Cb 0.96 0.27 -0.02 0.00 2.00 0.00 0.00 36.73 39.94 3gxi h TYR 363 CO 0.06 -0.47 -0.05 0.66 -0.00 0.00 0.00 178.16 178.37 3gxi h SER 364 N -0.97 0.70 -0.36 3.88 4.64 -1.48 0.28 113.55 120.24 3gxi h SER 364 Ca -0.09 -0.18 -0.00 0.00 -0.47 0.00 0.00 61.79 61.05 3gxi h SER 364 Cb 0.69 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.58 3gxi h SER 364 CO 0.15 0.80 0.22 -0.74 -0.87 0.00 0.00 176.83 176.38 3gxi h HIS 365 N 0.67 0.47 -0.57 4.77 -0.00 -1.18 -0.64 115.15 118.66 3gxi h HIS 365 Ca 0.13 0.00 0.01 0.00 -0.00 0.00 0.00 60.37 60.51 3gxi h HIS 365 Cb 0.48 -0.15 -0.03 0.00 -0.00 0.00 0.00 27.41 27.71 3gxi h HIS 365 CO 0.02 0.33 0.37 1.03 -0.00 0.00 0.00 177.93 179.68 3gxi h SER 366 N 0.46 0.63 -0.47 3.26 0.87 -0.72 -1.36 113.55 116.22 3gxi h SER 366 Ca 0.13 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.67 3gxi h SER 366 Cb -0.00 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 61.78 3gxi h SER 366 CO -0.02 0.45 0.25 0.40 -0.53 0.00 0.00 176.83 177.38 3gxi h ILE 367 N 0.75 1.17 -0.22 2.23 2.04 -0.64 0.07 117.51 122.91 3gxi h ILE 367 Ca 0.22 -0.43 -0.00 0.00 1.00 0.00 0.00 64.86 65.64 3gxi h ILE 367 Cb -0.06 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 3gxi h ILE 367 CO -0.06 0.18 0.13 0.40 0.00 0.00 0.00 178.15 178.79 3gxi h ILE 368 N 0.62 1.10 -0.57 -0.67 2.04 -0.83 0.07 117.51 119.26 3gxi h ILE 368 Ca 0.16 -0.25 0.04 0.00 1.00 0.00 0.00 64.86 65.81 3gxi h ILE 368 Cb 0.06 0.87 -0.04 0.00 -0.74 0.00 0.00 36.82 36.96 3gxi h ILE 368 CO -0.03 0.09 0.33 0.74 0.00 0.00 0.00 178.15 179.29 3gxi h THR 369 N 0.26 1.02 -0.08 -0.27 2.02 -0.97 0.21 112.91 115.10 3gxi h THR 369 Ca 0.08 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 67.04 3gxi h THR 369 Cb 0.04 0.32 -0.00 0.00 -1.74 0.00 0.00 68.15 66.77 3gxi h THR 369 CO -0.01 0.12 0.05 0.78 0.37 0.00 0.00 175.52 176.82 3gxi h ASN 370 N 0.64 0.09 0.09 4.18 2.35 -0.71 -1.94 115.58 120.28 3gxi h ASN 370 Ca 0.24 -0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.95 3gxi h ASN 370 Cb 0.08 -0.02 -0.00 0.00 0.05 0.00 0.00 38.32 38.42 3gxi h ASN 370 CO -0.13 0.09 -0.06 -0.07 -1.65 0.00 0.00 177.43 175.62 3gxi h LEU 371 N 0.08 0.00 -0.03 1.61 3.38 -0.30 -0.82 115.31 119.23 3gxi h LEU 371 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3gxi h LEU 371 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3gxi h LEU 371 CO -0.01 0.06 0.00 0.18 0.09 0.00 0.00 178.44 178.76 3gxi n LEU 372 N -4.17 0.26 -2.41 1.67 4.77 0.68 -3.57 117.00 114.24 3gxi n LEU 372 Ca -0.03 0.53 -0.21 0.00 -0.03 0.00 0.00 56.01 56.27 3gxi n LEU 372 Cb 0.14 -0.45 0.02 0.00 -2.33 0.00 0.00 43.42 40.79 3gxi n LEU 372 CO 0.32 -0.10 0.12 -1.22 -1.33 0.00 0.00 177.39 175.18 3gxi n TYR 373 N -1.75 2.67 -0.61 -1.77 4.02 -0.35 -4.99 117.16 114.38 3gxi n TYR 373 Ca 0.06 -2.72 0.00 0.00 -0.01 0.00 0.00 57.90 55.23 3gxi n TYR 373 Cb 0.35 -0.21 0.00 0.00 -0.02 0.00 0.00 39.34 39.45 3gxi n TYR 373 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 3gxi n HIS 374 N -0.49 0.00 -2.24 -0.72 8.25 -1.14 -4.66 115.22 114.23 3gxi n HIS 374 Ca 0.33 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.37 3gxi n HIS 374 Cb 0.79 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.87 3gxi n HIS 374 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3gxi s VAL 375 N -3.46 3.26 -1.67 1.59 1.01 -0.97 -4.45 120.40 115.71 3gxi s VAL 375 Ca 0.00 1.04 0.23 0.00 0.00 0.00 0.00 61.98 63.25 3gxi s VAL 375 Cb 0.00 -3.66 -0.01 0.00 0.00 0.00 0.00 36.38 32.71 3gxi s VAL 375 CO 0.00 0.15 1.15 1.33 0.00 0.00 0.00 175.10 177.73 3gxi n VAL 376 N 2.66 0.00 -3.52 2.92 0.24 0.87 -4.49 118.33 117.00 3gxi n VAL 376 Ca 0.06 -0.16 -0.09 0.00 -2.04 0.00 0.00 64.34 62.12 3gxi n VAL 376 Cb 0.43 0.98 -0.02 0.00 -1.47 0.00 0.00 33.84 33.76 3gxi n VAL 376 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3gxi s GLY 377 N -2.64 -0.46 -0.12 7.63 0.00 -1.26 0.22 107.32 110.69 3gxi s GLY 377 Ca 0.17 0.81 -0.05 0.00 0.00 0.00 0.00 44.72 45.64 3gxi s GLY 377 CO 0.64 0.26 0.26 0.86 0.00 0.00 0.00 173.10 175.13 3gxi s TRP 378 N -3.27 -0.37 -0.10 1.90 -0.00 -1.00 -1.39 118.94 114.71 3gxi s TRP 378 Ca 0.05 0.87 0.01 0.00 -0.00 0.00 0.00 56.10 57.03 3gxi s TRP 378 Cb -0.01 0.04 0.02 0.00 -0.00 0.00 0.00 33.47 33.52 3gxi s TRP 378 CO -0.08 -0.27 -0.11 0.99 -0.00 0.00 0.00 176.95 177.48 3gxi s THR 379 N 1.57 1.17 0.82 5.86 2.01 -0.03 -2.68 115.64 124.36 3gxi s THR 379 Ca -0.07 -0.43 -0.12 0.00 0.31 0.00 0.00 61.69 61.38 3gxi s THR 379 Cb -0.11 -1.12 0.08 0.00 0.01 0.00 0.00 72.50 71.37 3gxi s THR 379 CO -0.09 0.38 1.12 -0.62 -0.69 0.00 0.00 174.62 174.72 3gxi s ASP 380 N 1.19 4.32 0.00 3.53 2.15 0.80 -2.38 116.67 126.28 3gxi s ASP 380 Ca -0.04 1.14 0.00 0.00 0.43 0.00 0.00 52.55 54.08 3gxi s ASP 380 Cb -0.14 -1.81 0.00 0.00 -0.30 0.00 0.00 42.92 40.66 3gxi s ASP 380 CO -0.03 -2.06 0.00 1.87 -0.17 0.00 0.00 175.17 174.78 3gxi n TRP 381 N -3.47 0.00 -1.66 -5.34 -0.00 -0.93 -2.76 117.44 103.27 3gxi n TRP 381 Ca 0.07 0.00 -0.63 0.00 -0.00 0.00 0.00 57.50 56.94 3gxi n TRP 381 Cb 0.58 0.00 -0.09 0.00 -0.00 0.00 0.00 31.31 31.80 3gxi n TRP 381 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 177.69 177.78 3gxi n ASN 382 N 0.00 1.05 0.11 5.87 3.02 -1.26 -0.91 115.26 123.13 3gxi n ASN 382 Ca 0.00 1.16 0.13 0.00 -0.03 0.00 0.00 54.58 55.84 3gxi n ASN 382 Cb 0.00 -0.95 0.64 0.00 -0.61 0.00 0.00 39.78 38.86 3gxi n ASN 382 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3gxi h LEU 383 N 4.69 0.06 -7.14 3.41 3.38 -1.66 -3.42 115.31 114.62 3gxi h LEU 383 Ca -0.47 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.43 3gxi h LEU 383 Cb 1.38 -0.01 -0.21 0.00 0.09 0.00 0.00 40.66 41.91 3gxi h LEU 383 CO 0.87 0.04 0.01 0.00 0.09 0.00 0.00 178.44 179.45 3gxi s ALA 384 N -5.10 -1.46 0.18 1.53 0.00 -1.26 -3.97 121.76 111.69 3gxi s ALA 384 Ca -0.05 1.36 -0.02 0.00 0.00 0.00 0.00 51.96 53.25 3gxi s ALA 384 Cb 0.18 -0.51 -0.04 0.00 0.00 0.00 0.00 23.12 22.75 3gxi s ALA 384 CO 0.71 -0.31 0.14 -0.51 0.00 0.00 0.00 175.76 175.79 3gxi s LEU 385 N -0.40 1.25 0.80 0.00 1.43 -0.78 -3.85 118.68 117.13 3gxi s LEU 385 Ca -0.06 -1.30 -0.08 0.00 -1.03 0.00 0.00 54.13 51.66 3gxi s LEU 385 Cb -0.03 0.46 0.13 0.00 0.03 0.00 0.00 46.19 46.78 3gxi s LEU 385 CO 0.04 -0.83 1.12 0.54 0.23 0.00 0.00 176.35 177.45 3gxi s ASN 386 N -3.12 4.06 0.43 2.29 2.20 0.00 -0.81 114.94 119.99 3gxi s ASN 386 Ca 0.34 0.16 0.29 0.00 -0.94 0.00 0.00 52.86 52.71 3gxi s ASN 386 Cb 0.07 -0.51 1.57 0.00 -2.00 0.00 0.00 41.25 40.38 3gxi s ASN 386 CO 0.09 -2.09 1.90 -0.65 -2.94 0.00 0.00 177.10 173.41 3gxi h PRO 387 N -0.97 0.00 0.00 3.55 0.11 -1.89 0.79 132.00 133.59 3gxi h PRO 387 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3gxi h PRO 387 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3gxi h PRO 387 CO 0.47 0.00 -0.32 -1.91 -0.21 0.00 0.00 178.00 176.02 3gxi n GLU 388 N -2.54 0.22 -1.10 1.05 2.13 -1.26 -4.55 120.64 114.60 3gxi n GLU 388 Ca -0.02 0.11 0.00 0.00 0.66 0.00 0.00 57.16 57.91 3gxi n GLU 388 Cb 0.06 -1.69 0.00 0.00 0.27 0.00 0.00 31.44 30.08 3gxi n GLU 388 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3gxi n GLY 389 N 1.36 1.05 0.00 8.31 0.00 0.27 -4.56 105.19 111.62 3gxi n GLY 389 Ca 0.05 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.55 3gxi n GLY 389 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gxi n GLY 390 N -1.10 5.40 3.75 -0.02 0.00 -1.26 -2.96 105.19 109.01 3gxi n GLY 390 Ca 0.00 -1.42 -0.33 0.00 0.00 0.00 0.00 46.02 44.27 3gxi n GLY 390 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gxi s PRO 391 N 1.19 2.49 -0.20 1.61 0.04 -1.26 -0.81 135.00 138.05 3gxi s PRO 391 Ca 0.00 1.50 -0.05 0.00 0.04 0.00 0.00 61.00 62.49 3gxi s PRO 391 Cb 0.00 -1.90 0.10 0.00 0.04 0.00 0.00 34.50 32.74 3gxi s PRO 391 CO 0.00 -1.51 0.38 1.21 0.04 0.00 0.00 177.00 177.12 3gxi s ASN 392 N -2.45 0.00 0.26 6.66 3.84 -1.26 -4.41 114.94 117.57 3gxi s ASN 392 Ca 0.69 0.71 0.21 0.00 0.21 0.00 0.00 52.86 54.68 3gxi s ASN 392 Cb -0.23 1.17 0.99 0.00 -0.55 0.00 0.00 41.25 42.63 3gxi s ASN 392 CO 0.44 -0.25 1.65 -2.67 -2.79 0.00 0.00 177.10 173.47 3gxi n TRP 393 N 5.38 0.70 0.04 0.43 4.27 -0.98 -0.19 117.44 127.10 3gxi n TRP 393 Ca -0.07 0.31 0.04 0.00 -3.89 0.00 0.00 57.50 53.89 3gxi n TRP 393 Cb 0.50 -1.00 0.07 0.00 -1.36 0.00 0.00 31.31 29.51 3gxi n TRP 393 CO 0.00 0.00 0.00 1.55 -2.29 0.00 0.00 177.69 176.95 3gxi n VAL 394 N -2.18 0.62 -1.96 -1.67 3.14 -1.26 -4.99 118.33 110.03 3gxi n VAL 394 Ca 0.01 -0.81 -0.19 0.00 -2.96 0.00 0.00 64.34 60.38 3gxi n VAL 394 Cb 0.14 0.74 -0.05 0.00 -1.06 0.00 0.00 33.84 33.62 3gxi n VAL 394 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 3gxi n ARG 395 N 0.25 -1.45 -1.85 1.45 1.74 0.74 -4.88 116.66 112.66 3gxi n ARG 395 Ca 0.06 1.07 -0.40 0.00 -0.77 0.00 0.00 57.85 57.80 3gxi n ARG 395 Cb 0.29 -5.52 -0.01 0.00 -1.02 0.00 0.00 32.46 26.21 3gxi n ARG 395 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3gxi n ASN 396 N -1.42 7.17 -4.80 0.55 5.15 -1.26 -4.98 115.26 115.67 3gxi n ASN 396 Ca -0.21 -2.95 -0.34 0.00 -0.60 0.00 0.00 54.58 50.48 3gxi n ASN 396 Cb 0.66 -1.47 -0.04 0.00 -0.53 0.00 0.00 39.78 38.40 3gxi n ASN 396 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 3gxi s PHE 397 N 0.54 3.03 0.31 1.20 2.99 -1.26 -5.01 117.98 119.78 3gxi s PHE 397 Ca 0.55 1.58 -0.04 0.00 0.00 0.00 0.00 56.93 59.02 3gxi s PHE 397 Cb 0.16 -3.05 -0.00 0.00 0.00 0.00 0.00 43.02 40.13 3gxi s PHE 397 CO -0.06 -0.76 0.44 0.14 -0.00 0.00 0.00 175.22 174.98 3gxi s VAL 398 N -1.98 0.00 0.59 -0.44 -7.23 -1.15 -4.85 120.40 105.34 3gxi s VAL 398 Ca 0.66 -1.60 -0.06 0.00 -1.81 0.00 0.00 61.98 59.17 3gxi s VAL 398 Cb -0.16 -2.54 0.01 0.00 0.56 0.00 0.00 36.38 34.25 3gxi s VAL 398 CO 0.20 0.00 0.91 -0.62 -0.31 0.00 0.00 175.10 175.27 3gxi s ASP 399 N -3.19 5.61 0.01 4.85 -1.08 -0.78 -4.44 116.67 117.65 3gxi s ASP 399 Ca 0.30 0.74 -0.05 0.00 -0.52 0.00 0.00 52.55 53.02 3gxi s ASP 399 Cb 0.00 -1.74 -0.01 0.00 -1.46 0.00 0.00 42.92 39.72 3gxi s ASP 399 CO 0.17 -1.06 0.08 -0.55 0.52 0.00 0.00 175.17 174.33 3gxi s SER 400 N -4.30 0.10 0.54 -0.34 0.15 -1.26 -4.70 113.70 103.88 3gxi s SER 400 Ca 0.54 -0.31 0.20 0.00 0.70 0.00 0.00 55.95 57.07 3gxi s SER 400 Cb -0.11 0.17 1.39 0.00 -1.71 0.00 0.00 66.02 65.76 3gxi s SER 400 CO 0.45 -0.35 2.14 -0.65 1.20 0.00 0.00 173.24 176.03 3gxi h PRO 401 N 4.37 0.00 -5.07 5.44 0.11 -1.83 -3.41 132.00 131.61 3gxi h PRO 401 Ca -0.31 0.00 -0.65 0.00 0.11 0.00 0.00 66.00 65.15 3gxi h PRO 401 Cb 1.20 0.00 -0.34 0.00 0.11 0.00 0.00 31.00 31.97 3gxi h PRO 401 CO 0.41 0.00 -0.86 0.42 -0.21 0.00 0.00 178.00 177.76 3gxi s ILE 402 N -4.98 1.90 -0.18 4.15 1.01 -1.25 -0.28 121.20 121.57 3gxi s ILE 402 Ca -0.05 -0.88 -0.01 0.00 0.00 0.00 0.00 60.65 59.71 3gxi s ILE 402 Cb 0.17 -1.69 0.00 0.00 0.01 0.00 0.00 42.46 40.95 3gxi s ILE 402 CO 0.66 0.52 -0.13 -0.63 0.00 0.00 0.00 174.94 175.36 3gxi s ILE 403 N 0.85 2.76 -0.21 2.92 -1.09 -0.20 -1.86 121.20 124.37 3gxi s ILE 403 Ca -0.07 -0.71 -0.12 0.00 -2.23 0.00 0.00 60.65 57.52 3gxi s ILE 403 Cb -0.15 -2.20 -0.05 0.00 -1.58 0.00 0.00 42.46 38.48 3gxi s ILE 403 CO -0.01 0.49 0.21 -0.69 -1.23 0.00 0.00 174.94 173.70 3gxi s VAL 404 N 1.16 5.34 -0.63 2.92 1.01 0.01 -0.22 120.40 129.99 3gxi s VAL 404 Ca 0.01 0.33 -0.06 0.00 0.00 0.00 0.00 61.98 62.27 3gxi s VAL 404 Cb -0.14 -3.55 0.16 0.00 0.00 0.00 0.00 36.38 32.85 3gxi s VAL 404 CO -0.05 0.37 0.47 -0.62 0.00 0.00 0.00 175.10 175.28 3gxi s ASP 405 N 0.70 5.57 0.21 3.32 -1.08 0.68 -3.93 116.67 122.15 3gxi s ASP 405 Ca 0.11 -2.64 -0.09 0.00 -0.52 0.00 0.00 52.55 49.40 3gxi s ASP 405 Cb -0.13 -1.94 0.15 0.00 -1.46 0.00 0.00 42.92 39.54 3gxi s ASP 405 CO 0.03 -0.46 1.81 0.40 0.52 0.00 0.00 175.17 177.47 3gxi h ILE 406 N 5.38 1.24 0.00 4.11 2.04 -1.93 -1.79 117.51 126.56 3gxi h ILE 406 Ca -0.03 -0.62 -0.02 0.00 1.00 0.00 0.00 64.86 65.19 3gxi h ILE 406 Cb 0.99 0.26 -0.00 0.00 -0.74 0.00 0.00 36.82 37.32 3gxi h ILE 406 CO 0.74 0.27 -0.08 0.71 0.00 0.00 0.00 178.15 179.79 3gxi h THR 407 N 1.06 0.51 -0.30 -0.27 1.35 -1.94 -1.64 112.91 111.67 3gxi h THR 407 Ca 0.26 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.76 3gxi h THR 407 Cb 0.07 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 67.73 3gxi h THR 407 CO -0.04 0.08 0.00 0.29 -0.25 0.00 0.00 175.52 175.60 3gxi n LYS 408 N -3.65 2.23 -4.26 4.72 5.02 -0.73 -4.97 118.16 116.53 3gxi n LYS 408 Ca -0.02 -2.06 -0.34 0.00 -2.02 0.00 0.00 58.31 53.87 3gxi n LYS 408 Cb 0.19 -1.43 -0.05 0.00 -0.02 0.00 0.00 35.03 33.72 3gxi n LYS 408 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3gxi n ASP 409 N 1.21 -1.50 -4.21 4.39 2.03 -0.62 -4.96 116.55 112.89 3gxi n ASP 409 Ca 0.16 -1.12 -0.12 0.00 0.52 0.00 0.00 54.79 54.23 3gxi n ASP 409 Cb 0.53 -2.34 -0.10 0.00 -0.72 0.00 0.00 41.12 38.49 3gxi n ASP 409 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 3gxi s THR 410 N -3.64 0.93 0.02 5.18 -4.23 -0.96 -3.98 115.64 108.96 3gxi s THR 410 Ca 0.46 -1.99 0.01 0.00 -1.18 0.00 0.00 61.69 58.99 3gxi s THR 410 Cb -0.26 -1.75 -0.02 0.00 1.34 0.00 0.00 72.50 71.82 3gxi s THR 410 CO 0.96 -0.80 -0.05 0.72 -0.54 0.00 0.00 174.62 174.90 3gxi s PHE 411 N -3.44 0.43 -0.20 3.99 -0.12 0.11 -0.23 117.98 118.52 3gxi s PHE 411 Ca 0.14 -0.36 -0.05 0.00 -0.05 0.00 0.00 56.93 56.61 3gxi s PHE 411 Cb 0.04 -0.27 -0.03 0.00 -0.63 0.00 0.00 43.02 42.13 3gxi s PHE 411 CO -0.02 -0.08 0.01 0.71 -0.05 0.00 0.00 175.22 175.78 3gxi s TYR 412 N -0.96 3.05 -0.35 3.49 1.51 0.69 -0.21 117.35 124.58 3gxi s TYR 412 Ca -0.08 -0.42 -0.23 0.00 -1.01 0.00 0.00 57.07 55.33 3gxi s TYR 412 Cb -0.07 -2.08 0.01 0.00 -0.11 0.00 0.00 41.96 39.70 3gxi s TYR 412 CO -0.00 -0.21 0.79 0.15 -1.11 0.00 0.00 175.55 175.17 3gxi s LYS 413 N 0.96 3.82 0.69 -0.62 1.02 -0.05 -1.03 119.74 124.53 3gxi s LYS 413 Ca 0.02 0.41 -0.11 0.00 0.02 0.00 0.00 55.97 56.30 3gxi s LYS 413 Cb -0.14 -3.79 0.01 0.00 -0.52 0.00 0.00 37.83 33.39 3gxi s LYS 413 CO 0.02 -0.81 1.07 -0.65 -0.92 0.00 0.00 175.35 174.06 3gxi s GLN 414 N 3.09 2.96 0.31 1.68 -1.52 0.62 -1.36 119.66 125.44 3gxi s GLN 414 Ca 0.32 0.62 0.06 0.00 -1.95 0.00 0.00 55.36 54.42 3gxi s GLN 414 Cb -0.13 -2.02 0.75 0.00 -0.22 0.00 0.00 33.01 31.39 3gxi s GLN 414 CO 0.16 -1.00 1.79 -1.35 -0.25 0.00 0.00 175.29 174.64 3gxi h PRO 415 N -0.63 0.74 -0.92 2.91 0.11 -1.81 -1.37 132.00 131.03 3gxi h PRO 415 Ca -0.45 -0.04 0.26 0.00 0.11 0.00 0.00 66.00 65.88 3gxi h PRO 415 Cb 1.23 -0.17 -0.15 0.00 0.11 0.00 0.00 31.00 32.03 3gxi h PRO 415 CO 0.62 0.49 0.33 0.52 -0.21 0.00 0.00 178.00 179.75 3gxi h MET 416 N 0.76 0.23 -0.53 1.05 2.86 -1.86 0.09 114.93 117.53 3gxi h MET 416 Ca 0.57 -0.01 0.05 0.00 -2.06 0.00 0.00 59.70 58.25 3gxi h MET 416 Cb 0.89 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 32.44 3gxi h MET 416 CO -0.36 0.15 0.25 0.35 1.06 0.00 0.00 176.91 178.37 3gxi h PHE 417 N 0.24 0.46 -0.16 -0.22 3.57 -1.43 -0.78 116.94 118.62 3gxi h PHE 417 Ca 0.61 0.02 -0.21 0.00 3.53 0.00 0.00 57.97 61.92 3gxi h PHE 417 Cb 1.29 -0.13 0.01 0.00 2.79 0.00 0.00 35.95 39.92 3gxi h PHE 417 CO -0.19 0.20 -0.73 1.88 -2.23 0.00 0.00 178.31 177.24 3gxi h TYR 418 N 0.48 1.05 -0.98 0.41 -1.99 -1.36 -0.74 116.97 113.86 3gxi h TYR 418 Ca 0.24 -0.45 0.05 0.00 2.00 0.00 0.00 58.73 60.56 3gxi h TYR 418 Cb 0.18 -0.16 -0.06 0.00 2.00 0.00 0.00 36.73 38.69 3gxi h TYR 418 CO -0.12 1.28 0.63 0.45 -0.00 0.00 0.00 178.16 180.41 3gxi h HIS 419 N 0.51 1.18 -0.04 4.88 3.86 -0.88 -0.71 115.15 123.95 3gxi h HIS 419 Ca -0.05 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.19 3gxi h HIS 419 Cb 1.36 -0.39 -0.00 0.00 1.06 0.00 0.00 27.41 29.44 3gxi h HIS 419 CO 0.09 0.66 0.01 -0.07 0.86 0.00 0.00 177.93 179.48 3gxi h LEU 420 N 1.20 0.06 -1.60 2.43 3.38 -1.11 -3.26 115.31 116.41 3gxi h LEU 420 Ca 0.40 -0.18 0.09 0.00 0.09 0.00 0.00 57.88 58.28 3gxi h LEU 420 Cb 0.05 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 3gxi h LEU 420 CO -0.14 0.23 0.41 1.23 0.09 0.00 0.00 178.44 180.25 3gxi h GLY 421 N -0.11 0.63 1.58 0.83 0.00 -0.47 -0.54 103.07 104.99 3gxi h GLY 421 Ca 0.01 -0.19 0.02 0.00 0.00 0.00 0.00 47.33 47.18 3gxi h GLY 421 CO -0.00 0.12 0.19 0.45 0.00 0.00 0.00 176.54 177.30 3gxi h HIS 422 N 0.46 0.00 0.00 5.60 3.86 -1.19 -1.07 115.15 122.81 3gxi h HIS 422 Ca 0.28 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.36 3gxi h HIS 422 Cb 0.48 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.94 3gxi h HIS 422 CO -0.00 0.00 -1.41 1.19 0.86 0.00 0.00 177.93 178.57 3gxi n PHE 423 N -3.29 0.00 0.00 2.45 3.01 -0.59 -4.55 117.46 114.50 3gxi n PHE 423 Ca -0.01 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.48 3gxi n PHE 423 Cb 0.27 -0.62 0.38 0.00 -0.01 0.00 0.00 39.48 39.50 3gxi n PHE 423 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 3gxi h SER 424 N -0.97 0.47 0.66 4.37 4.64 -1.09 -1.15 113.55 120.48 3gxi h SER 424 Ca -0.20 -0.04 -0.09 0.00 -0.47 0.00 0.00 61.79 60.99 3gxi h SER 424 Cb 1.15 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 63.11 3gxi h SER 424 CO -0.12 0.41 -0.45 0.50 -0.87 0.00 0.00 176.83 176.31 3gxi h LYS 425 N 0.53 0.00 -0.07 4.77 3.64 -0.94 -3.36 116.57 121.14 3gxi h LYS 425 Ca 0.13 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 3gxi h LYS 425 Cb 0.08 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 3gxi h LYS 425 CO -0.02 0.45 0.00 1.19 -2.27 0.00 0.00 179.45 178.80 3gxi n PHE 426 N -3.73 0.09 -3.63 1.91 3.01 -0.51 -4.80 117.46 109.79 3gxi n PHE 426 Ca -0.01 -0.21 -0.28 0.00 1.01 0.00 0.00 57.45 57.96 3gxi n PHE 426 Cb 0.51 -0.02 -0.12 0.00 -0.01 0.00 0.00 39.48 39.85 3gxi n PHE 426 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 3gxi s ILE 427 N -0.66 1.28 0.75 4.37 1.01 -0.76 -4.91 121.20 122.28 3gxi s ILE 427 Ca 0.08 -2.87 -0.12 0.00 0.00 0.00 0.00 60.65 57.73 3gxi s ILE 427 Cb 0.05 -1.88 0.04 0.00 0.01 0.00 0.00 42.46 40.68 3gxi s ILE 427 CO 0.07 -1.03 1.11 -2.16 0.00 0.00 0.00 174.94 172.92 3gxi s PRO 428 N -0.05 2.32 0.15 2.79 0.04 -1.26 -4.87 135.00 134.11 3gxi s PRO 428 Ca 0.24 1.30 -0.33 0.00 0.04 0.00 0.00 61.00 62.24 3gxi s PRO 428 Cb -0.11 -1.90 -0.17 0.00 0.04 0.00 0.00 34.50 32.36 3gxi s PRO 428 CO -0.09 -1.61 1.03 -1.91 0.04 0.00 0.00 177.00 174.45 3gxi n GLU 429 N -3.19 0.73 0.00 4.56 2.13 -1.26 -1.78 120.64 121.82 3gxi n GLU 429 Ca 0.10 0.26 0.00 0.00 0.66 0.00 0.00 57.16 58.18 3gxi n GLU 429 Cb 0.52 -1.67 0.00 0.00 0.27 0.00 0.00 31.44 30.57 3gxi n GLU 429 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3gxi n GLY 430 N 1.89 2.78 3.71 8.31 0.00 -0.51 -4.82 105.19 116.55 3gxi n GLY 430 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 3gxi n GLY 430 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3gxi n SER 431 N 0.00 2.42 -4.22 1.61 7.64 -0.74 -4.45 113.62 115.89 3gxi n SER 431 Ca 0.00 1.00 -0.31 0.00 1.01 0.00 0.00 58.87 60.57 3gxi n SER 431 Cb 0.00 -1.53 -0.17 0.00 -1.01 0.00 0.00 64.21 61.50 3gxi n SER 431 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 3gxi s GLN 432 N -2.64 2.71 0.29 1.43 0.74 0.07 0.54 119.66 122.80 3gxi s GLN 432 Ca 0.68 -0.84 -0.29 0.00 0.05 0.00 0.00 55.36 54.97 3gxi s GLN 432 Cb -0.45 -2.14 -0.10 0.00 1.10 0.00 0.00 33.01 31.42 3gxi s GLN 432 CO 0.52 0.24 1.24 0.50 -0.55 0.00 0.00 175.29 177.23 3gxi s ARG 433 N 0.18 4.46 0.32 1.67 3.52 0.05 -0.34 118.95 128.81 3gxi s ARG 433 Ca -0.13 2.05 0.03 0.00 -0.13 0.00 0.00 55.73 57.55 3gxi s ARG 433 Cb -0.16 -3.13 -0.05 0.00 -1.56 0.00 0.00 34.95 30.05 3gxi s ARG 433 CO 0.06 -0.07 0.10 0.14 -0.81 0.00 0.00 175.30 174.73 3gxi s VAL 434 N -0.92 0.71 0.56 7.11 -7.23 -0.45 -0.46 120.40 119.72 3gxi s VAL 434 Ca 0.49 -2.00 -0.19 0.00 -1.81 0.00 0.00 61.98 58.47 3gxi s VAL 434 Cb -0.37 -2.61 -0.05 0.00 0.56 0.00 0.00 36.38 33.92 3gxi s VAL 434 CO 0.46 0.00 1.13 -0.83 -0.31 0.00 0.00 175.10 175.55 3gxi s GLY 435 N -3.43 2.57 -0.25 2.32 0.00 -0.65 -4.31 107.32 103.57 3gxi s GLY 435 Ca 0.34 0.79 -0.02 0.00 0.00 0.00 0.00 44.72 45.83 3gxi s GLY 435 CO 0.15 1.15 0.41 -2.27 0.00 0.00 0.00 173.10 172.54 3gxi s LEU 436 N -3.96 -0.76 -0.17 0.66 2.96 -1.26 -0.75 118.68 115.42 3gxi s LEU 436 Ca 0.72 0.31 -0.06 0.00 -0.22 0.00 0.00 54.13 54.88 3gxi s LEU 436 Cb -0.24 1.28 -0.04 0.00 0.50 0.00 0.00 46.19 47.70 3gxi s LEU 436 CO 0.29 -0.29 0.04 -0.69 -1.32 0.00 0.00 176.35 174.37 3gxi s VAL 437 N 2.59 4.57 0.15 1.68 1.01 -0.39 -4.85 120.40 125.16 3gxi s VAL 437 Ca 0.14 -0.12 -0.24 0.00 0.00 0.00 0.00 61.98 61.76 3gxi s VAL 437 Cb -0.15 -3.03 -0.08 0.00 0.00 0.00 0.00 36.38 33.12 3gxi s VAL 437 CO -0.17 0.49 0.74 0.00 0.00 0.00 0.00 175.10 176.16 3gxi s ALA 438 N 0.22 3.47 -0.29 5.51 0.00 -1.26 -0.77 121.76 128.65 3gxi s ALA 438 Ca 0.02 0.30 0.27 0.00 0.00 0.00 0.00 51.96 52.56 3gxi s ALA 438 Cb -0.13 -2.90 0.75 0.00 0.00 0.00 0.00 23.12 20.85 3gxi s ALA 438 CO 0.01 0.31 1.75 0.66 0.00 0.00 0.00 175.76 178.50 3gxi h SER 439 N 4.32 0.00 -5.04 0.00 4.64 -1.22 -3.46 113.55 112.80 3gxi h SER 439 Ca -0.47 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.80 3gxi h SER 439 Cb 1.21 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.16 3gxi h SER 439 CO 0.66 0.00 0.04 0.00 -0.87 0.00 0.00 176.83 176.66 3gxi s GLN 440 N -3.36 1.13 0.55 4.77 -2.07 -1.26 -4.97 119.66 114.45 3gxi s GLN 440 Ca 0.05 -0.52 -0.21 0.00 -1.82 0.00 0.00 55.36 52.86 3gxi s GLN 440 Cb 0.07 0.51 -0.05 0.00 -1.09 0.00 0.00 33.01 32.45 3gxi s GLN 440 CO 0.61 -0.45 1.30 0.15 -1.32 0.00 0.00 175.29 175.58 3gxi s LYS 441 N -3.47 3.14 0.28 9.60 1.02 -1.26 -4.96 119.74 124.09 3gxi s LYS 441 Ca 0.00 2.10 -0.17 0.00 0.02 0.00 0.00 55.97 57.91 3gxi s LYS 441 Cb 0.00 -2.19 0.01 0.00 -0.52 0.00 0.00 37.83 35.14 3gxi s LYS 441 CO -0.10 -1.15 0.64 0.54 -0.92 0.00 0.00 175.35 174.37 3gxi s ASN 442 N -1.15 -0.15 0.00 2.83 2.20 -1.26 -5.05 114.94 112.36 3gxi s ASN 442 Ca 0.72 -0.78 0.21 0.00 -0.94 0.00 0.00 52.86 52.07 3gxi s ASN 442 Cb -0.37 0.69 0.53 0.00 -2.00 0.00 0.00 41.25 40.10 3gxi s ASN 442 CO 0.43 -1.31 1.45 0.47 -2.94 0.00 0.00 177.10 175.19 3gxi n ASP 443 N -0.54 3.03 -4.90 3.54 8.00 -1.26 -4.99 116.55 119.43 3gxi n ASP 443 Ca -0.03 -1.95 -0.29 0.00 0.71 0.00 0.00 54.79 53.23 3gxi n ASP 443 Cb 0.60 -0.29 -0.03 0.00 -0.02 0.00 0.00 41.12 41.38 3gxi n ASP 443 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3gxi s LEU 444 N -1.28 4.00 -0.17 0.64 1.43 -1.26 -4.49 118.68 117.55 3gxi s LEU 444 Ca 0.38 0.79 -0.02 0.00 -1.03 0.00 0.00 54.13 54.25 3gxi s LEU 444 Cb 0.21 -3.62 -0.01 0.00 0.03 0.00 0.00 46.19 42.79 3gxi s LEU 444 CO 0.29 -0.25 -0.09 -1.81 0.23 0.00 0.00 176.35 174.72 3gxi s ASP 445 N -3.22 4.16 -0.00 2.29 1.01 -0.57 -4.98 116.67 115.36 3gxi s ASP 445 Ca 0.45 -0.35 -0.05 0.00 0.71 0.00 0.00 52.55 53.31 3gxi s ASP 445 Cb -0.11 -1.67 -0.00 0.00 1.01 0.00 0.00 42.92 42.15 3gxi s ASP 445 CO 0.31 0.08 0.10 0.00 0.21 0.00 0.00 175.17 175.86 3gxi s ALA 446 N 0.86 -0.22 -0.04 5.23 0.00 -1.26 -0.45 121.76 125.88 3gxi s ALA 446 Ca -0.02 -0.16 -0.08 0.00 0.00 0.00 0.00 51.96 51.69 3gxi s ALA 446 Cb -0.15 0.07 0.01 0.00 0.00 0.00 0.00 23.12 23.05 3gxi s ALA 446 CO 0.01 -0.17 0.19 0.54 0.00 0.00 0.00 175.76 176.32 3gxi s VAL 447 N -1.16 0.04 0.02 0.00 0.11 -0.72 -5.00 120.40 113.68 3gxi s VAL 447 Ca -0.13 -0.29 0.09 0.00 -2.93 0.00 0.00 61.98 58.72 3gxi s VAL 447 Cb -0.07 -0.37 -0.03 0.00 -1.53 0.00 0.00 36.38 34.38 3gxi s VAL 447 CO 0.01 -0.16 -0.25 0.00 -3.33 0.00 0.00 175.10 171.36 3gxi s ALA 448 N -0.56 2.14 0.05 1.54 0.00 -1.26 -1.59 121.76 122.08 3gxi s ALA 448 Ca -0.07 -1.19 -0.03 0.00 0.00 0.00 0.00 51.96 50.68 3gxi s ALA 448 Cb -0.04 -0.48 -0.03 0.00 0.00 0.00 0.00 23.12 22.57 3gxi s ALA 448 CO 0.01 0.51 0.03 -0.51 0.00 0.00 0.00 175.76 175.80 3gxi s LEU 449 N -1.03 2.18 -0.10 0.00 1.02 -0.41 -1.34 118.68 119.00 3gxi s LEU 449 Ca 0.11 -0.83 0.02 0.00 0.02 0.00 0.00 54.13 53.45 3gxi s LEU 449 Cb -0.10 0.40 -0.01 0.00 0.02 0.00 0.00 46.19 46.51 3gxi s LEU 449 CO 0.01 -0.59 -0.18 -0.04 0.02 0.00 0.00 176.35 175.58 3gxi s MET 450 N -3.54 3.09 0.77 1.70 -1.94 0.54 -1.33 119.30 118.59 3gxi s MET 450 Ca 0.03 -0.77 -0.13 0.00 -1.71 0.00 0.00 55.69 53.12 3gxi s MET 450 Cb 0.05 -2.45 0.06 0.00 2.01 0.00 0.00 34.83 34.50 3gxi s MET 450 CO -0.09 0.27 1.16 -1.01 -0.01 0.00 0.00 175.02 175.34 3gxi s HIS 451 N 0.16 2.12 0.36 -0.03 3.76 0.11 -0.75 115.29 121.02 3gxi s HIS 451 Ca -0.10 1.63 0.14 0.00 -0.15 0.00 0.00 55.06 56.59 3gxi s HIS 451 Cb -0.16 -3.32 1.00 0.00 1.11 0.00 0.00 32.58 31.21 3gxi s HIS 451 CO 0.06 -2.38 1.76 -1.35 -0.85 0.00 0.00 174.74 171.98 3gxi h PRO 452 N -0.77 0.48 0.00 8.40 0.11 -1.88 0.54 132.00 138.88 3gxi h PRO 452 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3gxi h PRO 452 Cb 1.27 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3gxi h PRO 452 CO 0.49 0.32 0.00 -0.40 -0.21 0.00 0.00 178.00 178.19 3gxi n ASP 453 N -4.72 0.00 0.00 -2.05 5.68 -1.26 -4.90 116.55 109.30 3gxi n ASP 453 Ca 0.25 -0.15 0.00 0.00 -0.50 0.00 0.00 54.79 54.39 3gxi n ASP 453 Cb 0.80 -0.22 0.00 0.00 -1.14 0.00 0.00 41.12 40.56 3gxi n ASP 453 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3gxi n GLY 454 N 0.38 3.09 3.80 6.12 0.00 0.18 -5.06 105.19 113.70 3gxi n GLY 454 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 3gxi n GLY 454 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gxi s SER 455 N -1.32 4.67 0.11 1.61 1.04 -1.26 -4.64 113.70 113.91 3gxi s SER 455 Ca 0.00 1.46 0.05 0.00 0.48 0.00 0.00 55.95 57.94 3gxi s SER 455 Cb 0.00 -2.23 -0.04 0.00 0.10 0.00 0.00 66.02 63.85 3gxi s SER 455 CO 0.00 -1.88 0.05 0.00 0.98 0.00 0.00 173.24 172.39 3gxi s ALA 456 N -3.08 3.41 -0.03 5.32 0.00 0.38 -0.72 121.76 127.05 3gxi s ALA 456 Ca 0.60 -1.13 0.01 0.00 0.00 0.00 0.00 51.96 51.44 3gxi s ALA 456 Cb -0.15 -1.27 0.02 0.00 0.00 0.00 0.00 23.12 21.72 3gxi s ALA 456 CO 0.55 0.66 -0.02 0.54 0.00 0.00 0.00 175.76 177.49 3gxi s VAL 457 N -1.45 0.31 -0.07 0.00 0.11 -0.45 -2.34 120.40 116.51 3gxi s VAL 457 Ca 0.28 -0.04 0.01 0.00 -2.93 0.00 0.00 61.98 59.31 3gxi s VAL 457 Cb -0.11 -0.35 0.02 0.00 -1.53 0.00 0.00 36.38 34.40 3gxi s VAL 457 CO 0.20 0.15 -0.09 -0.69 -3.33 0.00 0.00 175.10 171.35 3gxi s VAL 458 N 0.71 0.92 -0.09 2.04 1.01 0.30 -1.29 120.40 124.00 3gxi s VAL 458 Ca -0.08 -0.33 -0.02 0.00 0.00 0.00 0.00 61.98 61.55 3gxi s VAL 458 Cb -0.11 -0.88 -0.03 0.00 0.00 0.00 0.00 36.38 35.36 3gxi s VAL 458 CO -0.01 0.31 -0.00 -0.69 0.00 0.00 0.00 175.10 174.72 3gxi s VAL 459 N 0.91 4.28 -0.07 2.92 1.01 -0.62 -0.19 120.40 128.63 3gxi s VAL 459 Ca -0.11 -0.25 -0.01 0.00 0.00 0.00 0.00 61.98 61.61 3gxi s VAL 459 Cb -0.15 -2.81 0.03 0.00 0.00 0.00 0.00 36.38 33.45 3gxi s VAL 459 CO 0.01 0.60 -0.02 -0.69 0.00 0.00 0.00 175.10 174.99 3gxi s VAL 460 N -0.78 0.53 -0.10 2.92 1.01 -0.02 -1.75 120.40 122.21 3gxi s VAL 460 Ca 0.12 -0.00 0.01 0.00 0.00 0.00 0.00 61.98 62.11 3gxi s VAL 460 Cb -0.11 -0.64 -0.02 0.00 0.00 0.00 0.00 36.38 35.61 3gxi s VAL 460 CO 0.02 0.28 -0.14 -0.22 0.00 0.00 0.00 175.10 175.04 3gxi s LEU 461 N 1.72 2.71 -0.35 3.92 2.96 0.40 -1.05 118.68 128.99 3gxi s LEU 461 Ca 0.02 -0.28 -0.00 0.00 -0.22 0.00 0.00 54.13 53.64 3gxi s LEU 461 Cb -0.13 -1.59 0.09 0.00 0.50 0.00 0.00 46.19 45.06 3gxi s LEU 461 CO -0.05 0.23 0.09 0.21 -1.32 0.00 0.00 176.35 175.51 3gxi s ASN 462 N -0.03 4.99 0.00 3.68 3.84 -0.60 -1.50 114.94 125.32 3gxi s ASN 462 Ca -0.03 -1.83 0.26 0.00 0.21 0.00 0.00 52.86 51.47 3gxi s ASN 462 Cb -0.14 -1.73 0.94 0.00 -0.55 0.00 0.00 41.25 39.76 3gxi s ASN 462 CO 0.04 -0.41 1.67 0.54 -2.79 0.00 0.00 177.10 176.16 3gxi n ARG 463 N 4.50 1.72 -3.26 0.43 1.74 -1.26 -1.34 116.66 119.19 3gxi n ARG 463 Ca -0.04 -1.06 -0.23 0.00 -0.77 0.00 0.00 57.85 55.75 3gxi n ARG 463 Cb 0.42 -1.46 -0.00 0.00 -1.02 0.00 0.00 32.46 30.40 3gxi n ARG 463 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3gxi s SER 464 N -1.89 6.08 0.27 0.55 1.04 -1.26 -4.74 113.70 113.75 3gxi s SER 464 Ca 0.36 0.31 0.26 0.00 0.48 0.00 0.00 55.95 57.35 3gxi s SER 464 Cb 0.20 -1.75 0.88 0.00 0.10 0.00 0.00 66.02 65.45 3gxi s SER 464 CO 0.32 -0.46 1.76 0.77 0.98 0.00 0.00 173.24 176.60 3gxi h SER 465 N 0.64 0.00 -3.32 7.02 4.64 -1.92 -0.72 113.55 119.90 3gxi h SER 465 Ca -0.48 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.26 3gxi h SER 465 Cb 1.24 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.24 3gxi h SER 465 CO 0.59 0.00 -0.20 -0.54 -0.87 0.00 0.00 176.83 175.81 3gxi s LYS 466 N -3.23 4.31 0.40 4.77 1.02 -1.26 -4.20 119.74 121.56 3gxi s LYS 466 Ca 0.07 0.34 -0.27 0.00 0.02 0.00 0.00 55.97 56.13 3gxi s LYS 466 Cb 0.10 -3.43 -0.10 0.00 -0.52 0.00 0.00 37.83 33.88 3gxi s LYS 466 CO 0.52 0.18 1.42 -0.25 -0.92 0.00 0.00 175.35 176.30 3gxi n ASP 467 N 3.65 3.35 -3.89 2.83 8.00 -1.26 -3.72 116.55 125.50 3gxi n ASP 467 Ca -0.09 1.17 -0.29 0.00 0.71 0.00 0.00 54.79 56.30 3gxi n ASP 467 Cb 0.52 -1.58 -0.16 0.00 -0.02 0.00 0.00 41.12 39.87 3gxi n ASP 467 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3gxi s VAL 468 N -1.15 1.22 0.43 2.53 1.01 0.14 -4.89 120.40 119.68 3gxi s VAL 468 Ca 0.57 -0.90 -0.25 0.00 0.00 0.00 0.00 61.98 61.41 3gxi s VAL 468 Cb -0.48 -1.49 -0.08 0.00 0.00 0.00 0.00 36.38 34.33 3gxi s VAL 468 CO 0.61 -0.03 1.25 -2.84 0.00 0.00 0.00 175.10 174.09 3gxi s PRO 469 N 1.56 3.86 0.16 2.72 0.02 -1.26 -0.40 135.00 141.66 3gxi s PRO 469 Ca -0.03 2.02 -0.22 0.00 0.02 0.00 0.00 61.00 62.80 3gxi s PRO 469 Cb -0.17 -2.63 0.06 0.00 0.02 0.00 0.00 34.50 31.78 3gxi s PRO 469 CO -0.07 -0.54 0.57 -0.48 -0.33 0.00 0.00 177.00 176.16 3gxi s LEU 470 N -2.66 -0.41 -0.04 -5.54 2.34 -0.58 -4.05 118.68 107.75 3gxi s LEU 470 Ca 0.60 -0.07 0.05 0.00 0.06 0.00 0.00 54.13 54.76 3gxi s LEU 470 Cb -0.35 2.48 -0.00 0.00 -0.56 0.00 0.00 46.19 47.76 3gxi s LEU 470 CO 0.44 -0.97 -0.18 -0.89 -1.06 0.00 0.00 176.35 173.69 3gxi s THR 471 N -3.77 1.51 -0.17 5.48 2.01 -0.80 -0.43 115.64 119.48 3gxi s THR 471 Ca 0.02 -0.76 -0.05 0.00 0.31 0.00 0.00 61.69 61.20 3gxi s THR 471 Cb -0.01 -1.29 -0.03 0.00 0.01 0.00 0.00 72.50 71.18 3gxi s THR 471 CO -0.12 0.43 -0.00 -0.63 -0.69 0.00 0.00 174.62 173.61 3gxi s ILE 472 N -0.01 4.16 -0.18 1.82 1.01 -0.32 -0.89 121.20 126.80 3gxi s ILE 472 Ca -0.03 -0.26 -0.06 0.00 0.00 0.00 0.00 60.65 60.30 3gxi s ILE 472 Cb -0.12 -2.85 -0.03 0.00 0.01 0.00 0.00 42.46 39.47 3gxi s ILE 472 CO 0.02 0.47 0.02 -0.75 0.00 0.00 0.00 174.94 174.71 3gxi s LYS 473 N 0.46 3.83 -0.22 2.79 2.20 0.12 -0.07 119.74 128.84 3gxi s LYS 473 Ca -0.01 -0.42 0.02 0.00 -0.36 0.00 0.00 55.97 55.19 3gxi s LYS 473 Cb -0.14 -3.11 0.05 0.00 -1.51 0.00 0.00 37.83 33.12 3gxi s LYS 473 CO 0.02 0.22 -0.12 0.34 -0.36 0.00 0.00 175.35 175.45 3gxi s ASP 474 N 0.47 3.81 0.61 1.43 -1.08 -0.41 -0.49 116.67 121.02 3gxi s ASP 474 Ca 0.00 -1.07 0.33 0.00 -0.52 0.00 0.00 52.55 51.30 3gxi s ASP 474 Cb -0.13 -1.42 1.97 0.00 -1.46 0.00 0.00 42.92 41.88 3gxi s ASP 474 CO 0.02 -0.14 2.28 1.55 0.52 0.00 0.00 175.17 179.39 3gxi h PRO 475 N 7.88 0.00 0.00 4.34 0.13 -1.84 0.32 132.00 142.83 3gxi h PRO 475 Ca -0.27 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.84 3gxi h PRO 475 Cb 1.08 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 3gxi h PRO 475 CO 0.50 0.00 -0.08 0.00 -0.23 0.00 0.00 178.00 178.19 3gxi h ALA 476 N 1.98 1.09 0.00 -0.56 0.00 -1.95 -3.39 119.26 116.42 3gxi h ALA 476 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3gxi h ALA 476 Cb 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3gxi h ALA 476 CO -0.00 0.10 0.00 1.33 0.00 0.00 0.00 179.25 180.68 3gxi n VAL 477 N -3.31 0.00 0.00 0.00 0.24 -0.34 -4.94 118.33 109.97 3gxi n VAL 477 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.29 3gxi n VAL 477 Cb 0.28 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.65 3gxi n VAL 477 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3gxi n GLY 478 N 0.38 0.43 3.24 7.63 0.00 0.99 -4.74 105.19 113.12 3gxi n GLY 478 Ca 0.00 -1.77 -0.30 0.00 0.00 0.00 0.00 46.02 43.95 3gxi n GLY 478 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gxi s PHE 479 N -1.95 2.25 -0.31 1.61 0.40 0.21 -1.28 117.98 118.91 3gxi s PHE 479 Ca 0.00 -0.64 -0.11 0.00 -0.60 0.00 0.00 56.93 55.59 3gxi s PHE 479 Cb 0.00 -1.48 -0.01 0.00 0.51 0.00 0.00 43.02 42.04 3gxi s PHE 479 CO 0.00 -0.19 0.18 -0.51 0.70 0.00 0.00 175.22 175.40 3gxi s LEU 480 N -0.17 4.19 -0.24 -0.37 1.43 0.90 -0.85 118.68 123.57 3gxi s LEU 480 Ca -0.02 -0.45 -0.14 0.00 -1.03 0.00 0.00 54.13 52.49 3gxi s LEU 480 Cb -0.13 -2.04 -0.04 0.00 0.03 0.00 0.00 46.19 44.01 3gxi s LEU 480 CO 0.03 -0.19 0.33 -0.70 0.23 0.00 0.00 176.35 176.05 3gxi s GLU 481 N 1.65 4.08 0.21 1.70 2.56 -1.26 -1.17 118.70 126.47 3gxi s GLU 481 Ca 0.05 0.01 0.00 0.00 0.00 0.00 0.00 54.97 55.03 3gxi s GLU 481 Cb -0.17 -3.59 0.00 0.00 2.00 0.00 0.00 34.13 32.37 3gxi s GLU 481 CO 0.08 -0.12 0.27 -2.37 -0.56 0.00 0.00 175.26 172.56 3gxi n THR 482 N 4.67 0.00 -4.22 -1.70 5.66 0.43 -5.02 114.28 114.11 3gxi n THR 482 Ca -0.10 -1.16 -0.17 0.00 -3.05 0.00 0.00 64.05 59.57 3gxi n THR 482 Cb 0.51 0.68 -0.15 0.00 -1.55 0.00 0.00 70.33 69.82 3gxi n THR 482 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 3gxi s ILE 483 N -2.69 0.52 -0.55 1.09 1.01 -1.26 -1.52 121.20 117.80 3gxi s ILE 483 Ca 0.19 -0.25 -0.16 0.00 0.00 0.00 0.00 60.65 60.43 3gxi s ILE 483 Cb -0.00 -0.46 0.13 0.00 0.01 0.00 0.00 42.46 42.14 3gxi s ILE 483 CO 0.13 0.16 0.51 -0.55 0.00 0.00 0.00 174.94 175.20 3gxi s SER 484 N 0.04 6.20 0.72 3.58 0.15 0.47 -4.95 113.70 119.91 3gxi s SER 484 Ca -0.00 -1.80 -0.15 0.00 0.70 0.00 0.00 55.95 54.70 3gxi s SER 484 Cb -0.05 -2.21 0.03 0.00 -1.71 0.00 0.00 66.02 62.08 3gxi s SER 484 CO -0.00 -0.86 1.19 -2.84 1.20 0.00 0.00 173.24 171.92 3gxi s PRO 485 N 1.61 2.26 0.52 5.44 0.02 -1.26 -0.68 135.00 142.90 3gxi s PRO 485 Ca 0.04 1.69 -0.22 0.00 0.02 0.00 0.00 61.00 62.52 3gxi s PRO 485 Cb -0.29 -1.86 -0.06 0.00 0.02 0.00 0.00 34.50 32.31 3gxi s PRO 485 CO 0.03 -1.73 1.30 0.41 -0.33 0.00 0.00 177.00 176.68 3gxi n GLY 486 N 0.22 0.61 3.75 0.52 0.00 -1.24 -2.24 105.19 106.80 3gxi n GLY 486 Ca 0.13 0.05 -0.24 0.00 0.00 0.00 0.00 46.02 45.96 3gxi n GLY 486 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3gxi n TYR 487 N -0.89 -1.86 -4.36 1.61 0.53 -0.28 -4.80 117.16 107.12 3gxi n TYR 487 Ca 0.10 0.73 -0.18 0.00 -1.02 0.00 0.00 57.90 57.53 3gxi n TYR 487 Cb 0.44 -4.00 -0.10 0.00 -1.03 0.00 0.00 39.34 34.64 3gxi n TYR 487 CO 0.00 0.00 0.00 -1.54 -1.02 0.00 0.00 176.86 174.30 3gxi s SER 488 N -4.14 1.91 -0.01 7.72 1.04 -0.95 -2.00 113.70 117.26 3gxi s SER 488 Ca 0.12 -1.27 0.01 0.00 0.48 0.00 0.00 55.95 55.28 3gxi s SER 488 Cb -0.04 0.00 0.01 0.00 0.10 0.00 0.00 66.02 66.10 3gxi s SER 488 CO 0.84 -0.55 -0.01 -0.51 0.98 0.00 0.00 173.24 173.98 3gxi s ILE 489 N -3.42 0.18 0.00 -1.02 2.07 -0.40 -1.55 121.20 117.06 3gxi s ILE 489 Ca 0.31 -0.01 0.06 0.00 -1.41 0.00 0.00 60.65 59.60 3gxi s ILE 489 Cb 0.07 -0.21 -0.02 0.00 0.13 0.00 0.00 42.46 42.42 3gxi s ILE 489 CO 0.11 0.10 -0.18 -1.00 -1.91 0.00 0.00 174.94 172.05 3gxi s HIS 490 N 0.44 1.60 -0.10 3.50 3.76 -0.22 -1.27 115.29 123.01 3gxi s HIS 490 Ca -0.04 -0.32 0.00 0.00 -0.15 0.00 0.00 55.06 54.55 3gxi s HIS 490 Cb -0.07 -1.01 -0.02 0.00 1.11 0.00 0.00 32.58 32.59 3gxi s HIS 490 CO -0.01 0.01 -0.11 0.99 -0.85 0.00 0.00 174.74 174.77 3gxi s THR 491 N -0.55 3.33 -0.07 1.30 2.01 -0.47 -0.84 115.64 120.35 3gxi s THR 491 Ca 0.06 -0.59 0.03 0.00 0.31 0.00 0.00 61.69 61.50 3gxi s THR 491 Cb -0.07 -2.38 -0.02 0.00 0.01 0.00 0.00 72.50 70.04 3gxi s THR 491 CO 0.00 0.55 -0.15 -0.31 -0.69 0.00 0.00 174.62 174.03 3gxi s TYR 492 N -0.18 2.71 -0.03 4.92 1.51 0.73 -0.64 117.35 126.37 3gxi s TYR 492 Ca 0.01 -0.31 0.02 0.00 -1.01 0.00 0.00 57.07 55.78 3gxi s TYR 492 Cb -0.13 -1.68 0.01 0.00 -0.11 0.00 0.00 41.96 40.05 3gxi s TYR 492 CO 0.03 0.06 -0.08 -0.51 -1.11 0.00 0.00 175.55 173.94 3gxi s LEU 493 N -0.43 1.70 0.02 -1.29 1.43 -0.37 -0.54 118.68 119.20 3gxi s LEU 493 Ca 0.05 -0.18 -0.22 0.00 -1.03 0.00 0.00 54.13 52.75 3gxi s LEU 493 Cb -0.12 -0.54 0.05 0.00 0.03 0.00 0.00 46.19 45.61 3gxi s LEU 493 CO 0.02 0.04 0.49 -1.66 0.23 0.00 0.00 176.35 175.47 3gxi s TRP 494 N 0.35 -0.39 0.35 0.29 -2.14 -0.99 -0.49 118.94 115.92 3gxi s TRP 494 Ca -0.06 0.51 -0.24 0.00 2.66 0.00 0.00 56.10 58.97 3gxi s TRP 494 Cb -0.10 0.28 -0.10 0.00 -3.10 0.00 0.00 33.47 30.45 3gxi s TRP 494 CO 0.01 -0.57 0.93 -1.01 -2.66 0.00 0.00 176.95 173.64 3gxi s HIS 495 N -2.00 3.58 -1.27 1.66 3.76 -1.26 -0.47 115.29 119.29 3gxi s HIS 495 Ca -0.08 1.70 0.14 0.00 -0.15 0.00 0.00 55.06 56.67 3gxi s HIS 495 Cb -0.01 -2.88 0.39 0.00 1.11 0.00 0.00 32.58 31.19 3gxi s HIS 495 CO 0.02 0.13 1.32 0.54 -0.85 0.00 0.00 174.74 175.89 3gxi n ARG 496 N 0.22 2.73 0.00 1.40 1.74 -1.26 -4.76 116.66 116.73 3gxi n ARG 496 Ca 0.03 -2.18 0.00 0.00 -0.77 0.00 0.00 57.85 54.93 3gxi n ARG 496 Cb 0.51 -1.35 0.00 0.00 -1.02 0.00 0.00 32.46 30.60 3gxi n ARG 496 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15