#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h7b s SER 2 N 0.00 6.34 0.10 1.61 0.01 -1.26 -4.03 113.70 116.47 3h7b s SER 2 Ca 0.00 1.67 -0.01 0.00 1.31 0.00 0.00 55.95 58.91 3h7b s SER 2 Cb 0.00 -2.52 -0.04 0.00 0.21 0.00 0.00 66.02 63.67 3h7b s SER 2 CO 0.00 -0.78 0.04 -1.00 0.41 0.00 0.00 173.24 171.91 3h7b s HIS 3 N -2.53 0.70 0.04 2.43 0.09 -0.78 -4.99 115.29 110.25 3h7b s HIS 3 Ca 0.61 -1.14 -0.05 0.00 -0.00 0.00 0.00 55.06 54.48 3h7b s HIS 3 Cb -0.12 -0.42 -0.01 0.00 -0.00 0.00 0.00 32.58 32.02 3h7b s HIS 3 CO 0.32 -0.48 0.08 -1.54 -0.00 0.00 0.00 174.74 173.13 3h7b s SER 4 N -2.99 0.22 -0.03 1.40 1.04 -1.26 -1.23 113.70 110.84 3h7b s SER 4 Ca 0.17 -0.60 0.04 0.00 0.48 0.00 0.00 55.95 56.03 3h7b s SER 4 Cb 0.07 0.23 -0.00 0.00 0.10 0.00 0.00 66.02 66.42 3h7b s SER 4 CO -0.03 -0.53 -0.15 -0.32 0.98 0.00 0.00 173.24 173.19 3h7b s MET 5 N -2.85 1.46 -0.09 4.02 1.75 -0.73 -1.07 119.30 121.79 3h7b s MET 5 Ca -0.03 -0.51 -0.06 0.00 -1.25 0.00 0.00 55.69 53.83 3h7b s MET 5 Cb 0.00 -1.31 0.03 0.00 2.84 0.00 0.00 34.83 36.39 3h7b s MET 5 CO -0.06 0.22 0.22 1.03 -0.65 0.00 0.00 175.02 175.78 3h7b s ARG 6 N 0.01 0.22 -0.09 4.11 0.52 -0.48 -1.48 118.95 121.77 3h7b s ARG 6 Ca -0.02 0.38 0.00 0.00 -0.52 0.00 0.00 55.73 55.57 3h7b s ARG 6 Cb -0.10 0.02 -0.03 0.00 0.52 0.00 0.00 34.95 35.36 3h7b s ARG 6 CO 0.01 -0.08 -0.08 0.71 0.02 0.00 0.00 175.30 175.88 3h7b s TYR 7 N 0.57 2.92 -0.10 -0.53 2.02 0.05 -1.02 117.35 121.26 3h7b s TYR 7 Ca -0.04 -0.12 0.02 0.00 -0.37 0.00 0.00 57.07 56.57 3h7b s TYR 7 Cb -0.05 -1.76 0.01 0.00 -0.40 0.00 0.00 41.96 39.76 3h7b s TYR 7 CO -0.03 0.20 -0.16 -0.06 -1.57 0.00 0.00 175.55 173.93 3h7b s PHE 8 N -0.48 1.96 -0.05 2.71 0.40 -0.04 -2.06 117.98 120.42 3h7b s PHE 8 Ca 0.07 -0.89 0.04 0.00 -0.60 0.00 0.00 56.93 55.55 3h7b s PHE 8 Cb -0.12 -1.40 0.00 0.00 0.51 0.00 0.00 43.02 42.01 3h7b s PHE 8 CO 0.02 -0.44 -0.16 -0.06 0.70 0.00 0.00 175.22 175.28 3h7b s PHE 9 N 0.88 1.67 -0.10 0.36 0.08 -0.06 -0.98 117.98 119.83 3h7b s PHE 9 Ca -0.09 -0.54 0.02 0.00 0.12 0.00 0.00 56.93 56.44 3h7b s PHE 9 Cb -0.15 -1.15 0.01 0.00 -0.57 0.00 0.00 43.02 41.16 3h7b s PHE 9 CO 0.00 -0.22 -0.16 0.99 -0.10 0.00 0.00 175.22 175.73 3h7b s THR 10 N 0.25 1.55 -0.10 0.64 2.01 -0.03 -1.24 115.64 118.73 3h7b s THR 10 Ca -0.08 -0.69 0.04 0.00 0.31 0.00 0.00 61.69 61.27 3h7b s THR 10 Cb -0.13 -1.40 -0.00 0.00 0.01 0.00 0.00 72.50 70.97 3h7b s THR 10 CO 0.03 0.45 -0.23 -0.94 -0.69 0.00 0.00 174.62 173.24 3h7b s SER 11 N 0.86 3.20 -0.14 3.53 1.04 -0.35 -1.52 113.70 120.32 3h7b s SER 11 Ca -0.09 -0.53 -0.00 0.00 0.48 0.00 0.00 55.95 55.81 3h7b s SER 11 Cb -0.15 -1.36 0.03 0.00 0.10 0.00 0.00 66.02 64.63 3h7b s SER 11 CO 0.00 0.17 -0.11 -0.69 0.98 0.00 0.00 173.24 173.60 3h7b s VAL 12 N 0.27 1.31 0.48 5.02 1.01 -0.30 -0.87 120.40 127.33 3h7b s VAL 12 Ca -0.16 -0.51 -0.22 0.00 0.00 0.00 0.00 61.98 61.09 3h7b s VAL 12 Cb -0.17 -1.30 -0.07 0.00 0.00 0.00 0.00 36.38 34.84 3h7b s VAL 12 CO 0.08 0.38 1.16 -0.94 0.00 0.00 0.00 175.10 175.78 3h7b s SER 13 N 1.59 6.04 -0.45 3.32 1.04 -0.41 -1.29 113.70 123.54 3h7b s SER 13 Ca 0.04 2.28 0.04 0.00 0.48 0.00 0.00 55.95 58.80 3h7b s SER 13 Cb -0.13 -2.60 0.17 0.00 0.10 0.00 0.00 66.02 63.57 3h7b s SER 13 CO -0.09 -1.00 0.38 0.54 0.98 0.00 0.00 173.24 174.04 3h7b n ARG 14 N -0.70 0.46 -1.91 4.02 1.74 -1.26 -4.25 116.66 114.76 3h7b n ARG 14 Ca 0.08 -3.37 -0.42 0.00 -0.77 0.00 0.00 57.85 53.37 3h7b n ARG 14 Cb 0.49 -1.74 -0.03 0.00 -1.02 0.00 0.00 32.46 30.16 3h7b n ARG 14 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 3h7b s PRO 15 N -0.24 4.19 0.00 5.56 0.02 -1.26 -1.83 135.00 141.44 3h7b s PRO 15 Ca 0.32 2.35 0.00 0.00 0.02 0.00 0.00 61.00 63.69 3h7b s PRO 15 Cb 0.04 -3.69 0.00 0.00 0.02 0.00 0.00 34.50 30.86 3h7b s PRO 15 CO -0.19 -0.77 0.00 0.41 -0.33 0.00 0.00 177.00 176.12 3h7b n GLY 16 N 4.07 1.06 0.89 0.52 0.00 -1.26 -4.84 105.19 105.63 3h7b n GLY 16 Ca 0.16 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.23 3h7b n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h7b n ARG 17 N -2.00 1.17 0.00 1.61 1.74 -0.76 -5.11 116.66 113.31 3h7b n ARG 17 Ca 0.00 -2.95 0.00 0.00 -0.77 0.00 0.00 57.85 54.13 3h7b n ARG 17 Cb 0.00 -1.17 0.00 0.00 -1.02 0.00 0.00 32.46 30.27 3h7b n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3h7b n GLY 18 N -0.65 -0.07 3.74 -0.13 0.00 -1.21 -4.94 105.19 101.95 3h7b n GLY 18 Ca 0.16 -1.53 -0.33 0.00 0.00 0.00 0.00 46.02 44.32 3h7b n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h7b s GLU 19 N 0.00 2.34 0.57 1.61 0.41 -1.26 -4.62 118.70 117.75 3h7b s GLU 19 Ca 0.00 1.50 -0.20 0.00 -0.41 0.00 0.00 54.97 55.87 3h7b s GLU 19 Cb 0.00 -1.88 -0.04 0.00 -1.78 0.00 0.00 34.13 30.43 3h7b s GLU 19 CO 0.00 -1.63 1.22 -2.14 -0.49 0.00 0.00 175.26 172.22 3h7b s PRO 20 N -4.19 3.08 0.23 0.39 0.02 -1.26 -4.58 135.00 128.70 3h7b s PRO 20 Ca 0.69 1.86 -0.30 0.00 0.02 0.00 0.00 61.00 63.27 3h7b s PRO 20 Cb -0.23 -2.02 -0.09 0.00 0.02 0.00 0.00 34.50 32.18 3h7b s PRO 20 CO 0.46 -1.13 1.21 0.50 -0.33 0.00 0.00 177.00 177.72 3h7b s ARG 21 N -3.21 4.48 -0.05 5.54 6.06 -0.41 -4.86 118.95 126.50 3h7b s ARG 21 Ca 0.75 1.94 0.01 0.00 -2.50 0.00 0.00 55.73 55.94 3h7b s ARG 21 Cb -0.31 -3.20 0.02 0.00 0.06 0.00 0.00 34.95 31.52 3h7b s ARG 21 CO 0.35 -0.07 -0.06 0.12 -2.50 0.00 0.00 175.30 173.13 3h7b s PHE 22 N -0.39 0.90 -0.07 5.12 5.36 -1.26 -1.15 117.98 126.49 3h7b s PHE 22 Ca 0.51 -0.28 0.02 0.00 -0.96 0.00 0.00 56.93 56.22 3h7b s PHE 22 Cb -0.34 -0.76 0.01 0.00 -0.34 0.00 0.00 43.02 41.60 3h7b s PHE 22 CO 0.40 -0.22 -0.11 0.42 -1.46 0.00 0.00 175.22 174.25 3h7b s ILE 23 N 0.90 1.10 -0.04 3.12 1.01 -0.57 -1.15 121.20 125.58 3h7b s ILE 23 Ca -0.11 -0.44 0.06 0.00 0.00 0.00 0.00 60.65 60.15 3h7b s ILE 23 Cb -0.15 -1.03 -0.01 0.00 0.01 0.00 0.00 42.46 41.29 3h7b s ILE 23 CO 0.01 0.35 -0.21 0.00 0.00 0.00 0.00 174.94 175.09 3h7b s ALA 24 N 0.81 1.79 0.04 9.38 0.00 -0.25 -0.86 121.76 132.68 3h7b s ALA 24 Ca -0.12 -0.88 0.04 0.00 0.00 0.00 0.00 51.96 51.00 3h7b s ALA 24 Cb -0.15 -0.52 -0.02 0.00 0.00 0.00 0.00 23.12 22.42 3h7b s ALA 24 CO 0.02 0.38 -0.12 0.14 0.00 0.00 0.00 175.76 176.18 3h7b s VAL 25 N -0.24 0.89 0.05 0.00 -7.23 -0.15 -0.73 120.40 112.99 3h7b s VAL 25 Ca 0.01 -0.98 0.09 0.00 -1.81 0.00 0.00 61.98 59.29 3h7b s VAL 25 Cb -0.11 -0.84 -0.03 0.00 0.56 0.00 0.00 36.38 35.96 3h7b s VAL 25 CO 0.01 -0.12 -0.25 -0.83 -0.31 0.00 0.00 175.10 173.60 3h7b s GLY 26 N -1.24 1.34 0.01 2.32 0.00 -0.97 -0.86 107.32 107.92 3h7b s GLY 26 Ca -0.02 -1.23 0.03 0.00 0.00 0.00 0.00 44.72 43.50 3h7b s GLY 26 CO 0.01 -1.13 -0.09 -0.19 0.00 0.00 0.00 173.10 171.69 3h7b s TYR 27 N -0.83 0.83 -0.17 1.90 1.51 -0.19 -1.07 117.35 119.33 3h7b s TYR 27 Ca 0.11 -0.24 -0.02 0.00 -1.01 0.00 0.00 57.07 55.91 3h7b s TYR 27 Cb -0.10 -0.52 -0.01 0.00 -0.11 0.00 0.00 41.96 41.23 3h7b s TYR 27 CO 0.02 -0.01 -0.10 0.08 -1.11 0.00 0.00 175.55 174.43 3h7b s VAL 28 N -0.53 3.05 0.00 0.71 1.01 -0.31 -1.38 120.40 122.95 3h7b s VAL 28 Ca 0.01 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.36 3h7b s VAL 28 Cb -0.05 -2.33 0.00 0.00 0.00 0.00 0.00 36.38 34.00 3h7b s VAL 28 CO 0.00 0.49 0.00 0.47 0.00 0.00 0.00 175.10 176.06 3h7b n ASP 29 N 4.19 0.00 -1.77 3.32 8.00 -0.23 -0.06 116.55 129.99 3h7b n ASP 29 Ca -0.19 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.39 3h7b n ASP 29 Cb 0.52 0.00 0.38 0.00 -0.02 0.00 0.00 41.12 42.00 3h7b n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3h7b n ASP 30 N 3.99 5.33 -4.33 -2.24 8.00 -1.26 -4.91 116.55 121.13 3h7b n ASP 30 Ca 0.00 -2.75 -0.35 0.00 0.71 0.00 0.00 54.79 52.40 3h7b n ASP 30 Cb 0.00 -0.65 -0.14 0.00 -0.02 0.00 0.00 41.12 40.31 3h7b n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3h7b s THR 31 N -2.43 3.33 0.27 -3.53 2.01 0.91 -5.01 115.64 111.19 3h7b s THR 31 Ca 0.52 -0.52 -0.30 0.00 0.31 0.00 0.00 61.69 61.71 3h7b s THR 31 Cb 0.38 -2.49 -0.09 0.00 0.01 0.00 0.00 72.50 70.30 3h7b s THR 31 CO 0.19 0.45 1.11 -1.58 -0.69 0.00 0.00 174.62 174.09 3h7b s GLN 32 N 1.23 4.62 0.00 4.92 0.74 -1.26 -1.17 119.66 128.75 3h7b s GLN 32 Ca 0.03 1.81 0.00 0.00 0.05 0.00 0.00 55.36 57.24 3h7b s GLN 32 Cb -0.14 -3.20 0.00 0.00 1.10 0.00 0.00 33.01 30.77 3h7b s GLN 32 CO -0.02 0.18 0.00 1.97 -0.55 0.00 0.00 175.29 176.87 3h7b n PHE 33 N 1.37 0.00 -4.05 1.67 -1.74 -0.23 -4.03 117.46 110.45 3h7b n PHE 33 Ca -0.00 0.00 -0.10 0.00 -0.56 0.00 0.00 57.45 56.79 3h7b n PHE 33 Cb 0.45 0.00 -0.11 0.00 1.52 0.00 0.00 39.48 41.34 3h7b n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 3h7b s VAL 34 N -1.44 0.33 0.04 1.97 -7.23 -1.22 -0.07 120.40 112.80 3h7b s VAL 34 Ca 0.00 -1.30 -0.01 0.00 -1.81 0.00 0.00 61.98 58.86 3h7b s VAL 34 Cb 0.00 -0.83 -0.03 0.00 0.56 0.00 0.00 36.38 36.08 3h7b s VAL 34 CO 0.00 -0.63 -0.02 0.00 -0.31 0.00 0.00 175.10 174.14 3h7b s ARG 35 N -2.36 0.56 -0.01 4.82 1.70 -0.39 -2.29 118.95 120.98 3h7b s ARG 35 Ca -0.05 -1.08 0.01 0.00 -0.47 0.00 0.00 55.73 54.13 3h7b s ARG 35 Cb -0.04 0.19 0.01 0.00 -0.57 0.00 0.00 34.95 34.54 3h7b s ARG 35 CO -0.03 -0.10 -0.01 0.12 -1.08 0.00 0.00 175.30 174.20 3h7b s PHE 36 N -3.38 0.18 -0.06 5.89 5.36 0.09 -0.76 117.98 125.31 3h7b s PHE 36 Ca 0.02 -0.01 0.01 0.00 -0.96 0.00 0.00 56.93 55.99 3h7b s PHE 36 Cb 0.04 -0.18 0.02 0.00 -0.34 0.00 0.00 43.02 42.56 3h7b s PHE 36 CO -0.08 -0.04 -0.06 0.34 -1.46 0.00 0.00 175.22 173.93 3h7b s ASP 37 N 0.27 1.36 0.54 6.13 2.15 -1.26 -1.08 116.67 124.77 3h7b s ASP 37 Ca -0.02 -0.18 0.32 0.00 0.43 0.00 0.00 52.55 53.10 3h7b s ASP 37 Cb -0.04 -0.58 1.40 0.00 -0.30 0.00 0.00 42.92 43.40 3h7b s ASP 37 CO -0.01 -0.06 2.00 0.77 -0.17 0.00 0.00 175.17 177.70 3h7b h SER 38 N 7.42 0.00 0.43 -0.34 4.64 -1.52 -2.19 113.55 121.98 3h7b h SER 38 Ca -0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 3h7b h SER 38 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 3h7b h SER 38 CO 0.43 0.05 -0.46 0.47 -0.87 0.00 0.00 176.83 176.46 3h7b n ASP 39 N -3.20 0.63 -4.83 4.97 9.92 -1.26 -4.91 116.55 117.87 3h7b n ASP 39 Ca -0.00 -0.41 -0.30 0.00 -0.53 0.00 0.00 54.79 53.55 3h7b n ASP 39 Cb 0.30 0.24 0.07 0.00 -0.64 0.00 0.00 41.12 41.09 3h7b n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3h7b s ALA 40 N -2.89 2.51 0.16 2.24 0.00 -0.83 -4.99 121.76 117.97 3h7b s ALA 40 Ca 0.14 -0.20 -0.06 0.00 0.00 0.00 0.00 51.96 51.85 3h7b s ALA 40 Cb 0.18 -3.09 0.02 0.00 0.00 0.00 0.00 23.12 20.22 3h7b s ALA 40 CO 0.66 -1.46 1.43 0.00 0.00 0.00 0.00 175.76 176.40 3h7b h ALA 41 N -0.89 0.56 -0.08 0.00 0.00 -1.91 -3.35 119.26 113.59 3h7b h ALA 41 Ca -0.46 -0.56 -0.16 0.00 0.00 0.00 0.00 54.91 53.73 3h7b h ALA 41 Cb 1.25 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 3h7b h ALA 41 CO 0.60 0.71 -0.66 0.66 0.00 0.00 0.00 179.25 180.56 3h7b h SER 42 N 0.44 0.36 -2.62 0.00 4.64 -1.94 -3.47 113.55 110.97 3h7b h SER 42 Ca -0.01 -0.22 -0.38 0.00 -0.47 0.00 0.00 61.79 60.71 3h7b h SER 42 Cb 1.22 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 63.18 3h7b h SER 42 CO 0.12 0.92 -0.48 0.00 -0.87 0.00 0.00 176.83 176.53 3h7b n GLN 43 N -3.85 -1.50 -4.30 4.77 1.13 -1.26 -5.01 117.38 107.37 3h7b n GLN 43 Ca -0.03 0.92 -0.23 0.00 -1.94 0.00 0.00 57.00 55.72 3h7b n GLN 43 Cb 0.66 -5.46 -0.12 0.00 0.11 0.00 0.00 30.24 25.43 3h7b n GLN 43 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3h7b s ARG 44 N -4.89 1.17 0.36 -1.09 1.81 -1.26 -5.03 118.95 110.02 3h7b s ARG 44 Ca 0.00 -1.24 -0.28 0.00 -1.72 0.00 0.00 55.73 52.49 3h7b s ARG 44 Cb 0.00 -1.37 -0.11 0.00 -0.45 0.00 0.00 34.95 33.02 3h7b s ARG 44 CO 0.00 0.31 1.41 1.41 -0.68 0.00 0.00 175.30 177.74 3h7b s MET 45 N -2.20 4.21 0.03 3.54 -2.45 -1.26 -4.70 119.30 116.47 3h7b s MET 45 Ca 0.09 2.42 0.04 0.00 -1.25 0.00 0.00 55.69 56.99 3h7b s MET 45 Cb -0.09 -3.00 -0.02 0.00 1.25 0.00 0.00 34.83 32.97 3h7b s MET 45 CO 0.05 -0.39 -0.12 -1.21 1.05 0.00 0.00 175.02 174.40 3h7b s GLU 46 N -1.98 0.81 0.35 4.11 2.02 0.07 -4.89 118.70 119.19 3h7b s GLU 46 Ca 0.51 -0.67 -0.27 0.00 0.02 0.00 0.00 54.97 54.56 3h7b s GLU 46 Cb -0.44 -0.77 -0.09 0.00 0.10 0.00 0.00 34.13 32.93 3h7b s GLU 46 CO 0.59 0.19 1.21 -1.25 0.02 0.00 0.00 175.26 176.02 3h7b s PRO 47 N -1.04 4.28 0.00 0.39 0.04 -1.26 -1.26 135.00 136.14 3h7b s PRO 47 Ca -0.00 1.99 0.00 0.00 0.04 0.00 0.00 61.00 63.03 3h7b s PRO 47 Cb -0.07 -2.93 0.00 0.00 0.04 0.00 0.00 34.50 31.53 3h7b s PRO 47 CO 0.01 -0.17 0.58 0.54 0.04 0.00 0.00 177.00 178.00 3h7b n ARG 48 N 0.57 0.78 -4.09 4.56 5.12 0.90 -4.83 116.66 119.68 3h7b n ARG 48 Ca 0.02 -0.75 -0.14 0.00 -1.93 0.00 0.00 57.85 55.04 3h7b n ARG 48 Cb 0.44 -0.78 -0.12 0.00 -1.16 0.00 0.00 32.46 30.84 3h7b n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3h7b s ALA 49 N -0.34 0.59 0.22 7.54 0.00 -1.24 -4.67 121.76 123.86 3h7b s ALA 49 Ca 0.00 -0.68 0.19 0.00 0.00 0.00 0.00 51.96 51.47 3h7b s ALA 49 Cb 0.00 0.00 0.77 0.00 0.00 0.00 0.00 23.12 23.90 3h7b s ALA 49 CO 0.00 0.02 1.78 -1.00 0.00 0.00 0.00 175.76 176.56 3h7b h PRO 50 N 4.78 0.00 0.00 0.00 0.13 -1.95 -3.13 132.00 131.83 3h7b h PRO 50 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 3h7b h PRO 50 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3h7b h PRO 50 CO 0.42 0.34 0.00 0.11 -0.23 0.00 0.00 178.00 178.65 3h7b h TRP 51 N 0.00 0.00 0.00 1.56 5.08 -1.97 -2.90 115.95 117.72 3h7b h TRP 51 Ca -0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 3h7b h TRP 51 Cb 0.81 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.97 3h7b h TRP 51 CO 0.00 0.00 -0.86 1.51 -1.28 0.00 0.00 178.44 177.81 3h7b n ILE 52 N -2.87 0.33 0.25 0.12 0.13 -1.18 -3.91 119.36 112.23 3h7b n ILE 52 Ca 0.02 -0.32 0.16 0.00 -1.10 0.00 0.00 62.75 61.51 3h7b n ILE 52 Cb 0.32 -0.05 0.87 0.00 -0.84 0.00 0.00 39.64 39.95 3h7b n ILE 52 CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 3h7b h GLU 53 N 0.00 0.00 -0.00 9.51 5.08 -1.60 -2.19 114.58 125.38 3h7b h GLU 53 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3h7b h GLU 53 Cb 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 3h7b h GLU 53 CO 0.00 0.00 -0.00 1.04 -1.00 0.00 0.00 179.01 179.05 3h7b n GLN 54 N -2.65 0.61 -0.08 2.33 1.13 -1.25 -4.46 117.38 113.01 3h7b n GLN 54 Ca -0.02 -0.00 -0.06 0.00 -1.94 0.00 0.00 57.00 54.97 3h7b n GLN 54 Cb 0.09 -1.50 0.12 0.00 0.11 0.00 0.00 30.24 29.06 3h7b n GLN 54 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 3h7b h GLU 55 N 0.00 0.74 0.00 -1.09 4.39 -1.66 -3.50 114.58 113.46 3h7b h GLU 55 Ca 0.00 -0.27 0.00 0.00 0.34 0.00 0.00 59.36 59.43 3h7b h GLU 55 Cb 0.20 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 3h7b h GLU 55 CO 0.00 0.87 0.00 0.41 -1.16 0.00 0.00 179.01 179.13 3h7b n GLY 56 N -0.34 0.91 0.27 -3.84 0.00 -1.26 -4.58 105.19 96.35 3h7b n GLY 56 Ca 0.01 -1.81 0.04 0.00 0.00 0.00 0.00 46.02 44.26 3h7b n GLY 56 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3h7b h PRO 57 N 0.00 0.33 -0.21 1.61 0.13 -1.98 -2.41 132.00 129.46 3h7b h PRO 57 Ca 0.00 -0.04 0.03 0.00 -0.87 0.00 0.00 66.00 65.12 3h7b h PRO 57 Cb 0.00 -0.06 -0.03 0.00 0.13 0.00 0.00 31.00 31.04 3h7b h PRO 57 CO 0.00 0.30 0.02 1.49 -0.23 0.00 0.00 178.00 179.58 3h7b h GLU 58 N 0.33 0.09 0.44 0.86 4.22 -1.99 0.12 114.58 118.64 3h7b h GLU 58 Ca 0.08 -0.01 -0.02 0.00 0.08 0.00 0.00 59.36 59.50 3h7b h GLU 58 Cb 0.12 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 3h7b h GLU 58 CO -0.00 0.06 -0.28 -0.92 -2.18 0.00 0.00 179.01 175.68 3h7b h TYR 59 N 0.09 -0.73 -0.58 0.92 3.20 -1.69 -1.70 116.97 116.48 3h7b h TYR 59 Ca 0.10 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.95 3h7b h TYR 59 Cb 0.12 0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.62 3h7b h TYR 59 CO -0.17 -0.43 0.30 -1.49 -1.64 0.00 0.00 178.16 174.73 3h7b h TRP 60 N -0.69 0.81 -0.40 -3.82 4.06 -1.25 0.65 115.95 115.31 3h7b h TRP 60 Ca -0.05 -0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.87 3h7b h TRP 60 Cb 0.57 -0.26 -0.02 0.00 -1.00 0.00 0.00 29.16 28.46 3h7b h TRP 60 CO -0.10 0.61 0.26 -0.44 -3.56 0.00 0.00 178.44 175.20 3h7b h ASP 61 N 0.79 0.47 -0.53 -3.49 3.32 -0.78 -0.93 116.42 115.26 3h7b h ASP 61 Ca 0.20 -0.03 -0.11 0.00 0.02 0.00 0.00 57.03 57.11 3h7b h ASP 61 Cb 0.08 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 3h7b h ASP 61 CO -0.03 0.36 -0.11 1.23 -1.72 0.00 0.00 179.24 178.97 3h7b h GLY 62 N 0.54 1.11 1.40 2.75 0.00 -0.95 0.04 103.07 107.96 3h7b h GLY 62 Ca 0.15 -0.89 -0.13 0.00 0.00 0.00 0.00 47.33 46.45 3h7b h GLY 62 CO -0.03 0.81 -0.35 0.83 0.00 0.00 0.00 176.54 177.80 3h7b h GLU 63 N 0.91 0.67 -0.29 4.80 4.39 -0.77 -1.67 114.58 122.62 3h7b h GLU 63 Ca 0.14 -0.32 -0.01 0.00 0.34 0.00 0.00 59.36 59.51 3h7b h GLU 63 Cb 0.67 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.31 3h7b h GLU 63 CO 0.05 0.92 0.14 1.15 -1.16 0.00 0.00 179.01 180.11 3h7b h THR 64 N 0.56 1.15 -0.74 1.13 2.02 -1.03 0.13 112.91 116.13 3h7b h THR 64 Ca 0.06 -0.43 0.05 0.00 0.77 0.00 0.00 66.41 66.87 3h7b h THR 64 Cb 0.87 0.90 -0.06 0.00 -1.74 0.00 0.00 68.15 68.13 3h7b h THR 64 CO 0.08 0.15 0.44 -0.09 0.37 0.00 0.00 175.52 176.47 3h7b h ARG 65 N 0.33 0.79 -0.11 6.66 2.43 -0.88 -1.89 114.38 121.72 3h7b h ARG 65 Ca 0.10 -0.05 -0.23 0.00 -0.81 0.00 0.00 59.98 58.99 3h7b h ARG 65 Cb 0.11 -0.18 0.01 0.00 -0.42 0.00 0.00 29.97 29.50 3h7b h ARG 65 CO -0.01 0.52 -0.83 0.87 -1.51 0.00 0.00 179.97 179.02 3h7b h LYS 66 N 0.82 0.75 -0.12 0.20 1.57 -1.14 -2.74 116.57 115.91 3h7b h LYS 66 Ca 0.32 -0.66 -0.09 0.00 -1.87 0.00 0.00 60.65 58.35 3h7b h LYS 66 Cb 0.15 0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 3h7b h LYS 66 CO -0.17 1.26 -0.32 -0.24 -0.57 0.00 0.00 179.45 179.41 3h7b h VAL 67 N 0.46 1.27 -0.09 0.50 3.04 -0.83 -0.80 116.25 119.79 3h7b h VAL 67 Ca -0.07 -1.29 -0.15 0.00 -1.01 0.00 0.00 66.70 64.18 3h7b h VAL 67 Cb 1.47 1.54 -0.01 0.00 -2.01 0.00 0.00 31.29 32.27 3h7b h VAL 67 CO 0.17 0.39 -0.58 0.11 -1.01 0.00 0.00 177.57 176.64 3h7b h LYS 68 N 0.21 0.31 -0.33 4.17 1.57 -1.36 -0.78 116.57 120.35 3h7b h LYS 68 Ca 0.03 -0.20 -0.13 0.00 -1.87 0.00 0.00 60.65 58.47 3h7b h LYS 68 Cb 0.68 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.00 3h7b h LYS 68 CO 0.05 0.80 -0.33 0.00 -0.57 0.00 0.00 179.45 179.40 3h7b h ALA 69 N 1.15 0.80 -0.09 3.86 0.00 -1.09 -1.99 119.26 121.91 3h7b h ALA 69 Ca -0.00 -0.42 0.01 0.00 0.00 0.00 0.00 54.91 54.50 3h7b h ALA 69 Cb 1.09 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 3h7b h ALA 69 CO 0.09 0.65 0.03 0.45 0.00 0.00 0.00 179.25 180.47 3h7b h HIS 70 N 0.61 0.06 -0.68 0.00 3.86 -0.86 -2.07 115.15 116.07 3h7b h HIS 70 Ca 0.07 0.00 0.11 0.00 -1.16 0.00 0.00 60.37 59.39 3h7b h HIS 70 Cb 0.85 -0.01 -0.08 0.00 1.06 0.00 0.00 27.41 29.23 3h7b h HIS 70 CO 0.04 0.03 0.28 1.03 0.86 0.00 0.00 177.93 180.17 3h7b h SER 71 N 0.08 0.29 -0.20 2.45 0.87 -0.97 -1.75 113.55 114.32 3h7b h SER 71 Ca 0.04 0.09 -0.14 0.00 -1.23 0.00 0.00 61.79 60.55 3h7b h SER 71 Cb 0.02 0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 3h7b h SER 71 CO -0.04 0.15 -0.37 1.56 -0.53 0.00 0.00 176.83 177.61 3h7b h GLN 72 N 0.46 0.72 -0.30 2.24 1.08 -1.26 -1.61 115.11 116.45 3h7b h GLN 72 Ca 0.35 -0.36 0.01 0.00 -1.45 0.00 0.00 58.65 57.21 3h7b h GLN 72 Cb 0.46 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.87 3h7b h GLN 72 CO -0.33 0.97 0.17 1.15 -0.95 0.00 0.00 178.83 179.84 3h7b h THR 73 N 0.60 1.02 -0.49 -0.54 2.02 -0.87 -2.41 112.91 112.24 3h7b h THR 73 Ca 0.06 -0.12 -0.07 0.00 0.77 0.00 0.00 66.41 67.05 3h7b h THR 73 Cb 0.90 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.93 3h7b h THR 73 CO 0.08 0.06 0.02 0.45 0.37 0.00 0.00 175.52 176.50 3h7b h HIS 74 N 0.35 0.85 -0.67 3.16 3.86 -1.26 0.13 115.15 121.56 3h7b h HIS 74 Ca 0.12 -0.11 0.11 0.00 -1.16 0.00 0.00 60.37 59.32 3h7b h HIS 74 Cb 0.01 -0.23 -0.08 0.00 1.06 0.00 0.00 27.41 28.16 3h7b h HIS 74 CO -0.08 0.77 0.26 -0.09 0.86 0.00 0.00 177.93 179.65 3h7b h ARG 75 N 0.75 0.43 -0.20 2.45 2.43 -1.17 -1.60 114.38 117.47 3h7b h ARG 75 Ca 0.15 -0.03 -0.19 0.00 -0.81 0.00 0.00 59.98 59.10 3h7b h ARG 75 Cb 0.43 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 3h7b h ARG 75 CO 0.02 0.28 -0.64 0.28 -1.51 0.00 0.00 179.97 178.40 3h7b h VAL 76 N 0.44 1.30 -0.68 0.20 2.07 -0.87 -3.24 116.25 115.47 3h7b h VAL 76 Ca 0.34 -1.87 0.08 0.00 0.82 0.00 0.00 66.70 66.07 3h7b h VAL 76 Cb 0.45 1.83 -0.06 0.00 -1.52 0.00 0.00 31.29 31.98 3h7b h VAL 76 CO -0.33 0.59 0.35 0.44 0.02 0.00 0.00 177.57 178.64 3h7b h ASP 77 N 0.52 0.49 -0.53 0.57 3.32 -0.51 0.00 116.42 120.29 3h7b h ASP 77 Ca -0.01 0.05 0.08 0.00 0.02 0.00 0.00 57.03 57.17 3h7b h ASP 77 Cb 1.23 -0.04 -0.07 0.00 0.22 0.00 0.00 39.33 40.68 3h7b h ASP 77 CO 0.13 0.30 0.15 -0.07 -1.72 0.00 0.00 179.24 178.03 3h7b h LEU 78 N 0.63 0.11 -0.54 1.55 3.38 -1.32 -0.05 115.31 119.07 3h7b h LEU 78 Ca 0.32 0.08 -0.05 0.00 0.09 0.00 0.00 57.88 58.32 3h7b h LEU 78 Cb 0.28 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 3h7b h LEU 78 CO -0.23 0.08 0.15 1.23 0.09 0.00 0.00 178.44 179.76 3h7b h GLY 79 N 0.31 0.91 0.89 0.83 0.00 -1.51 -2.33 103.07 102.18 3h7b h GLY 79 Ca 0.26 -0.56 -0.00 0.00 0.00 0.00 0.00 47.33 47.03 3h7b h GLY 79 CO -0.30 0.52 0.03 -0.84 0.00 0.00 0.00 176.54 175.95 3h7b h THR 80 N 0.75 1.11 -0.69 4.70 2.02 -0.22 -2.61 112.91 117.97 3h7b h THR 80 Ca 0.17 -0.32 -0.06 0.00 0.77 0.00 0.00 66.41 66.97 3h7b h THR 80 Cb 0.31 1.21 -0.03 0.00 -1.74 0.00 0.00 68.15 67.90 3h7b h THR 80 CO -0.00 0.09 0.21 -0.07 0.37 0.00 0.00 175.52 176.12 3h7b h LEU 81 N -0.03 1.00 -0.60 2.58 3.38 -1.08 -0.19 115.31 120.37 3h7b h LEU 81 Ca 0.02 -0.19 0.05 0.00 0.09 0.00 0.00 57.88 57.85 3h7b h LEU 81 Cb 0.12 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.56 3h7b h LEU 81 CO -0.00 0.94 0.33 -0.09 0.09 0.00 0.00 178.44 179.71 3h7b h ARG 82 N 1.03 0.62 -0.75 1.13 2.43 -1.39 0.37 114.38 117.81 3h7b h ARG 82 Ca 0.22 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.34 3h7b h ARG 82 Cb 0.30 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.68 3h7b h ARG 82 CO -0.01 0.41 0.42 0.78 -1.51 0.00 0.00 179.97 180.06 3h7b h GLY 83 N 0.64 1.12 1.13 2.80 0.00 -1.04 -0.41 103.07 107.31 3h7b h GLY 83 Ca 0.26 -0.50 -0.02 0.00 0.00 0.00 0.00 47.33 47.08 3h7b h GLY 83 CO -0.16 0.48 0.44 -0.97 0.00 0.00 0.00 176.54 176.33 3h7b h TYR 84 N 1.04 1.11 -0.66 5.60 0.05 -0.22 -2.91 116.97 120.99 3h7b h TYR 84 Ca 0.27 -0.03 0.00 0.00 0.05 0.00 0.00 58.73 59.02 3h7b h TYR 84 Cb 0.02 -0.36 0.00 0.00 1.01 0.00 0.00 36.73 37.40 3h7b h TYR 84 CO -0.00 0.78 0.00 0.66 -1.05 0.00 0.00 178.16 178.55 3h7b n TYR 85 N -4.34 0.91 -4.03 4.88 4.01 0.04 -4.93 117.16 113.71 3h7b n TYR 85 Ca 0.08 -0.45 -0.29 0.00 -0.16 0.00 0.00 57.90 57.09 3h7b n TYR 85 Cb 0.10 -0.01 -0.02 0.00 -0.31 0.00 0.00 39.34 39.11 3h7b n TYR 85 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3h7b n ASN 86 N 1.40 -1.76 -4.92 7.72 5.15 -0.79 -4.97 115.26 117.09 3h7b n ASN 86 Ca 0.22 -0.98 -0.26 0.00 -0.60 0.00 0.00 54.58 52.96 3h7b n ASN 86 Cb 0.57 -3.08 -0.02 0.00 -0.53 0.00 0.00 39.78 36.72 3h7b n ASN 86 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 3h7b s GLN 87 N -6.66 3.55 0.75 1.20 -0.21 -0.23 -5.04 119.66 113.02 3h7b s GLN 87 Ca 0.31 -0.20 -0.11 0.00 0.02 0.00 0.00 55.36 55.38 3h7b s GLN 87 Cb -0.16 -2.69 0.04 0.00 1.00 0.00 0.00 33.01 31.19 3h7b s GLN 87 CO 0.89 0.22 1.09 -1.54 -2.12 0.00 0.00 175.29 173.83 3h7b s SER 88 N -3.51 5.01 0.49 5.90 1.04 -1.26 -4.76 113.70 116.60 3h7b s SER 88 Ca 0.41 1.28 0.28 0.00 0.48 0.00 0.00 55.95 58.41 3h7b s SER 88 Cb -0.10 -2.07 0.90 0.00 0.10 0.00 0.00 66.02 64.85 3h7b s SER 88 CO 0.32 -1.64 1.81 -0.08 0.98 0.00 0.00 173.24 174.64 3h7b h GLU 89 N -0.86 0.00 -0.35 4.02 4.81 -1.98 -3.33 114.58 116.89 3h7b h GLU 89 Ca -0.46 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 58.70 3h7b h GLU 89 Cb 1.25 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.62 3h7b h GLU 89 CO 0.61 0.05 -0.08 0.00 -0.73 0.00 0.00 179.01 178.86 3h7b h ALA 90 N 1.95 1.21 -2.32 2.92 0.00 -1.96 -3.44 119.26 117.62 3h7b h ALA 90 Ca -0.00 -0.26 -0.50 0.00 0.00 0.00 0.00 54.91 54.15 3h7b h ALA 90 Cb 0.75 -0.15 0.02 0.00 0.00 0.00 0.00 17.79 18.40 3h7b h ALA 90 CO 0.01 0.51 0.05 0.20 0.00 0.00 0.00 179.25 180.01 3h7b s GLY 91 N -3.86 1.69 -0.16 0.00 0.00 -1.25 -4.65 107.32 99.10 3h7b s GLY 91 Ca -0.08 -0.45 -0.16 0.00 0.00 0.00 0.00 44.72 44.03 3h7b s GLY 91 CO 0.79 -0.29 0.40 -0.45 0.00 0.00 0.00 173.10 173.55 3h7b s SER 92 N -3.62 6.53 0.35 1.64 0.15 -1.26 -4.73 113.70 112.76 3h7b s SER 92 Ca 0.47 0.63 0.07 0.00 0.70 0.00 0.00 55.95 57.82 3h7b s SER 92 Cb -0.10 -2.24 -0.07 0.00 -1.71 0.00 0.00 66.02 61.90 3h7b s SER 92 CO 0.37 -0.01 -0.02 -1.00 1.20 0.00 0.00 173.24 173.78 3h7b s HIS 93 N 0.84 2.26 -0.06 3.44 3.76 -1.26 -4.95 115.29 119.33 3h7b s HIS 93 Ca 0.21 -0.68 0.02 0.00 -0.15 0.00 0.00 55.06 54.46 3h7b s HIS 93 Cb -0.14 -1.44 0.01 0.00 1.11 0.00 0.00 32.58 32.12 3h7b s HIS 93 CO 0.08 0.37 -0.10 0.99 -0.85 0.00 0.00 174.74 175.23 3h7b s THR 94 N -2.86 0.93 -0.05 1.30 2.01 -1.26 -1.28 115.64 114.43 3h7b s THR 94 Ca 0.33 -0.36 0.02 0.00 0.31 0.00 0.00 61.69 61.99 3h7b s THR 94 Cb 0.06 -0.87 -0.03 0.00 0.01 0.00 0.00 72.50 71.68 3h7b s THR 94 CO 0.16 0.31 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.61 3h7b s VAL 95 N 0.69 3.44 0.04 3.82 1.01 -0.05 0.02 120.40 129.38 3h7b s VAL 95 Ca -0.13 -0.62 0.04 0.00 0.00 0.00 0.00 61.98 61.27 3h7b s VAL 95 Cb -0.15 -2.40 -0.02 0.00 0.00 0.00 0.00 36.38 33.81 3h7b s VAL 95 CO 0.02 0.57 -0.12 -1.10 0.00 0.00 0.00 175.10 174.47 3h7b s GLN 96 N -0.87 0.80 0.01 2.72 -0.21 -0.34 -1.21 119.66 120.56 3h7b s GLN 96 Ca 0.13 -0.74 0.01 0.00 0.02 0.00 0.00 55.36 54.78 3h7b s GLN 96 Cb -0.11 -0.76 -0.01 0.00 1.00 0.00 0.00 33.01 33.13 3h7b s GLN 96 CO 0.02 0.18 -0.04 0.50 -2.12 0.00 0.00 175.29 173.83 3h7b s ARG 97 N -1.21 0.33 -0.04 2.91 3.52 -0.37 -1.18 118.95 122.91 3h7b s ARG 97 Ca -0.01 -0.26 -0.02 0.00 -0.13 0.00 0.00 55.73 55.31 3h7b s ARG 97 Cb -0.08 -0.25 0.02 0.00 -1.56 0.00 0.00 34.95 33.08 3h7b s ARG 97 CO 0.01 0.06 0.08 1.41 -0.81 0.00 0.00 175.30 176.06 3h7b s MET 98 N -0.43 0.06 0.18 5.12 -2.45 0.01 -0.88 119.30 120.91 3h7b s MET 98 Ca -0.02 0.20 -0.05 0.00 -1.25 0.00 0.00 55.69 54.57 3h7b s MET 98 Cb -0.03 -0.08 -0.03 0.00 1.25 0.00 0.00 34.83 35.94 3h7b s MET 98 CO -0.00 -0.09 0.20 1.52 1.05 0.00 0.00 175.02 177.70 3h7b s TYR 99 N 0.58 0.77 -4.33 4.11 -0.85 -0.87 -0.39 117.35 116.37 3h7b s TYR 99 Ca -0.04 -1.09 0.00 0.00 -0.52 0.00 0.00 57.07 55.42 3h7b s TYR 99 Cb -0.06 -0.30 0.00 0.00 0.38 0.00 0.00 41.96 41.97 3h7b s TYR 99 CO -0.02 -0.68 0.00 0.41 -1.52 0.00 0.00 175.55 173.74 3h7b n GLY 100 N -0.22 -0.77 3.26 5.49 0.00 -0.88 -0.77 105.19 111.31 3h7b n GLY 100 Ca -0.03 -1.09 -0.12 0.00 0.00 0.00 0.00 46.02 44.78 3h7b n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h7b s ASP 102 N -1.91 4.04 0.11 0.00 1.01 0.25 -1.78 116.67 118.40 3h7b s ASP 102 Ca -0.07 -0.38 0.06 0.00 0.71 0.00 0.00 52.55 52.87 3h7b s ASP 102 Cb -0.02 -0.72 -0.04 0.00 1.01 0.00 0.00 42.92 43.15 3h7b s ASP 102 CO -0.02 0.24 -0.04 0.68 0.21 0.00 0.00 175.17 176.25 3h7b s VAL 103 N -1.00 3.71 0.00 -1.27 -7.23 -0.36 -0.61 120.40 113.64 3h7b s VAL 103 Ca 0.16 -1.16 0.00 0.00 -1.81 0.00 0.00 61.98 59.17 3h7b s VAL 103 Cb -0.11 -2.77 0.00 0.00 0.56 0.00 0.00 36.38 34.06 3h7b s VAL 103 CO 0.07 0.09 0.00 0.61 -0.31 0.00 0.00 175.10 175.56 3h7b n GLY 104 N 0.53 0.27 0.02 2.32 0.00 -0.70 -1.86 105.19 105.78 3h7b n GLY 104 Ca -0.12 -1.80 0.14 0.00 0.00 0.00 0.00 46.02 44.25 3h7b n GLY 104 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3h7b n SER 105 N -0.28 0.16 -0.18 1.61 3.41 -1.26 -1.43 113.62 115.66 3h7b n SER 105 Ca 0.00 0.05 0.14 0.00 -0.26 0.00 0.00 58.87 58.80 3h7b n SER 105 Cb 0.00 -0.26 0.74 0.00 -0.26 0.00 0.00 64.21 64.43 3h7b n SER 105 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3h7b n ASP 106 N -1.35 0.56 -1.04 4.04 5.75 -1.26 -4.68 116.55 118.56 3h7b n ASP 106 Ca 0.10 -1.24 -0.14 0.00 -0.01 0.00 0.00 54.79 53.50 3h7b n ASP 106 Cb 0.31 -0.01 -0.06 0.00 -1.03 0.00 0.00 41.12 40.33 3h7b n ASP 106 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 3h7b n TRP 107 N -0.54 0.00 -3.80 2.11 7.02 -0.51 -5.02 117.44 116.70 3h7b n TRP 107 Ca 0.21 0.00 -0.32 0.00 -1.02 0.00 0.00 57.50 56.37 3h7b n TRP 107 Cb 0.19 -2.75 -0.05 0.00 -2.42 0.00 0.00 31.31 26.29 3h7b n TRP 107 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 3h7b s ARG 108 N -3.08 3.53 -0.39 -0.99 0.52 -1.26 -4.76 118.95 112.51 3h7b s ARG 108 Ca 0.00 -0.25 -0.36 0.00 -0.52 0.00 0.00 55.73 54.60 3h7b s ARG 108 Cb 0.00 -2.98 -0.16 0.00 0.52 0.00 0.00 34.95 32.33 3h7b s ARG 108 CO 0.00 0.57 1.33 0.34 0.02 0.00 0.00 175.30 177.56 3h7b n PHE 109 N 0.41 1.29 -0.06 -0.53 7.35 -1.26 -1.72 117.46 122.94 3h7b n PHE 109 Ca -0.06 0.85 -0.12 0.00 -0.76 0.00 0.00 57.45 57.36 3h7b n PHE 109 Cb 0.52 -1.76 -0.04 0.00 0.35 0.00 0.00 39.48 38.55 3h7b n PHE 109 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 3h7b n LEU 110 N 3.64 1.29 -3.90 -2.13 7.94 0.22 -4.81 117.00 119.26 3h7b n LEU 110 Ca 0.28 0.21 -0.10 0.00 -1.11 0.00 0.00 56.01 55.29 3h7b n LEU 110 Cb -0.04 -0.50 -0.10 0.00 0.53 0.00 0.00 43.42 43.31 3h7b n LEU 110 CO 0.70 -0.02 -0.20 -0.60 -1.11 0.00 0.00 177.39 176.16 3h7b s ARG 111 N -2.38 0.49 0.02 1.96 3.52 -1.12 -4.98 118.95 116.46 3h7b s ARG 111 Ca -0.19 -0.51 0.02 0.00 -0.13 0.00 0.00 55.73 54.91 3h7b s ARG 111 Cb 0.06 0.20 -0.01 0.00 -1.56 0.00 0.00 34.95 33.63 3h7b s ARG 111 CO 0.26 -0.12 -0.06 0.20 -0.81 0.00 0.00 175.30 174.78 3h7b s GLY 112 N -1.57 0.34 0.04 8.12 0.00 -1.26 -0.59 107.32 112.40 3h7b s GLY 112 Ca -0.13 -0.47 -0.08 0.00 0.00 0.00 0.00 44.72 44.04 3h7b s GLY 112 CO -0.00 -0.49 0.15 -2.52 0.00 0.00 0.00 173.10 170.24 3h7b s TYR 113 N -0.78 0.12 -0.27 1.90 -0.85 -0.70 -4.87 117.35 111.89 3h7b s TYR 113 Ca -0.05 -0.38 -0.08 0.00 -0.52 0.00 0.00 57.07 56.04 3h7b s TYR 113 Cb -0.06 -0.08 0.13 0.00 0.38 0.00 0.00 41.96 42.33 3h7b s TYR 113 CO 0.00 -0.41 0.57 -1.58 -1.52 0.00 0.00 175.55 172.62 3h7b s HIS 114 N -2.62 -1.21 0.08 -3.49 2.46 -1.26 -2.07 115.29 107.17 3h7b s HIS 114 Ca -0.05 2.00 -0.03 0.00 0.47 0.00 0.00 55.06 57.46 3h7b s HIS 114 Cb -0.01 0.62 -0.03 0.00 -0.13 0.00 0.00 32.58 33.03 3h7b s HIS 114 CO -0.04 -0.64 0.04 1.14 -2.47 0.00 0.00 174.74 172.76 3h7b s GLN 115 N 2.81 0.73 -0.06 2.88 -2.07 0.48 -1.06 119.66 123.37 3h7b s GLN 115 Ca -0.01 -1.20 -0.05 0.00 -1.82 0.00 0.00 55.36 52.28 3h7b s GLN 115 Cb -0.12 0.25 0.02 0.00 -1.09 0.00 0.00 33.01 32.07 3h7b s GLN 115 CO -0.17 -0.18 0.15 -0.47 -1.32 0.00 0.00 175.29 173.30 3h7b s TYR 116 N -3.93 -0.17 0.06 9.60 6.14 -0.59 -0.81 117.35 127.65 3h7b s TYR 116 Ca 0.10 0.43 0.06 0.00 0.64 0.00 0.00 57.07 58.30 3h7b s TYR 116 Cb 0.07 0.02 -0.03 0.00 0.42 0.00 0.00 41.96 42.45 3h7b s TYR 116 CO -0.08 -0.11 -0.16 0.00 0.64 0.00 0.00 175.55 175.84 3h7b s ALA 117 N 0.40 1.35 -0.16 3.97 0.00 -0.33 -0.67 121.76 126.33 3h7b s ALA 117 Ca -0.03 -0.97 0.01 0.00 0.00 0.00 0.00 51.96 50.97 3h7b s ALA 117 Cb -0.04 -0.19 0.02 0.00 0.00 0.00 0.00 23.12 22.91 3h7b s ALA 117 CO -0.02 0.25 -0.16 -0.47 0.00 0.00 0.00 175.76 175.36 3h7b s TYR 118 N -1.01 2.35 -1.37 0.00 5.04 -0.83 -1.19 117.35 120.33 3h7b s TYR 118 Ca 0.02 -1.34 -0.08 0.00 -2.44 0.00 0.00 57.07 53.23 3h7b s TYR 118 Cb -0.09 -1.69 0.02 0.00 0.35 0.00 0.00 41.96 40.55 3h7b s TYR 118 CO 0.02 -0.70 1.11 -0.25 -1.34 0.00 0.00 175.55 174.39 3h7b n ASP 119 N 4.70 -5.38 0.00 4.32 8.00 0.10 -2.80 116.55 125.50 3h7b n ASP 119 Ca -0.18 -0.60 0.00 0.00 0.71 0.00 0.00 54.79 54.72 3h7b n ASP 119 Cb 0.50 -4.82 0.00 0.00 -0.02 0.00 0.00 41.12 36.78 3h7b n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h7b n GLY 120 N -1.83 0.44 3.37 0.44 0.00 -1.26 -5.02 105.19 101.32 3h7b n GLY 120 Ca -0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.75 3h7b n GLY 120 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h7b s LYS 121 N -0.49 1.37 0.17 1.61 -2.85 -1.12 -5.10 119.74 113.32 3h7b s LYS 121 Ca 0.00 -1.48 -0.33 0.00 -1.00 0.00 0.00 55.97 53.16 3h7b s LYS 121 Cb 0.00 -1.49 -0.15 0.00 -2.06 0.00 0.00 37.83 34.13 3h7b s LYS 121 CO 0.00 0.30 1.30 -0.25 0.10 0.00 0.00 175.35 176.81 3h7b n ASP 122 N 0.17 1.93 0.00 0.03 8.00 -1.26 -1.97 116.55 123.46 3h7b n ASP 122 Ca -0.12 1.13 -0.02 0.00 0.71 0.00 0.00 54.79 56.49 3h7b n ASP 122 Cb 0.57 -1.28 -0.01 0.00 -0.02 0.00 0.00 41.12 40.38 3h7b n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3h7b n TYR 123 N 2.02 0.00 -3.92 1.24 9.36 0.16 -4.69 117.16 121.32 3h7b n TYR 123 Ca 0.15 0.00 -0.10 0.00 3.32 0.00 0.00 57.90 61.27 3h7b n TYR 123 Cb 0.25 -0.11 -0.11 0.00 -0.63 0.00 0.00 39.34 38.75 3h7b n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 3h7b s ILE 124 N -1.82 0.09 -0.00 2.97 2.07 -0.87 -1.68 121.20 121.97 3h7b s ILE 124 Ca -0.06 -0.77 -0.07 0.00 -1.41 0.00 0.00 60.65 58.33 3h7b s ILE 124 Cb 0.01 -0.34 0.00 0.00 0.13 0.00 0.00 42.46 42.27 3h7b s ILE 124 CO 0.09 -0.43 0.14 0.00 -1.91 0.00 0.00 174.94 172.84 3h7b s ALA 125 N -1.37 -0.34 0.14 1.50 0.00 -0.64 -1.54 121.76 119.52 3h7b s ALA 125 Ca -0.15 -0.09 -0.30 0.00 0.00 0.00 0.00 51.96 51.42 3h7b s ALA 125 Cb -0.09 0.09 -0.07 0.00 0.00 0.00 0.00 23.12 23.06 3h7b s ALA 125 CO 0.00 -0.20 0.99 -1.17 0.00 0.00 0.00 175.76 175.38 3h7b s LEU 126 N -1.30 4.52 0.83 0.00 2.96 -0.22 -0.61 118.68 124.86 3h7b s LEU 126 Ca -0.14 1.88 -0.11 0.00 -0.22 0.00 0.00 54.13 55.54 3h7b s LEU 126 Cb -0.07 -3.60 0.09 0.00 0.50 0.00 0.00 46.19 43.11 3h7b s LEU 126 CO 0.02 -0.07 1.09 -0.54 -1.32 0.00 0.00 176.35 175.53 3h7b s LYS 127 N -0.26 1.79 0.29 1.98 1.02 -0.36 -4.64 119.74 119.55 3h7b s LYS 127 Ca 0.47 0.77 0.02 0.00 0.02 0.00 0.00 55.97 57.24 3h7b s LYS 127 Cb -0.25 -1.87 0.60 0.00 -0.52 0.00 0.00 37.83 35.78 3h7b s LYS 127 CO 0.31 -1.86 1.81 1.49 -0.92 0.00 0.00 175.35 176.19 3h7b h GLU 128 N -1.27 0.88 0.00 1.68 4.81 -1.89 -1.23 114.58 117.56 3h7b h GLU 128 Ca -0.48 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 3h7b h GLU 128 Cb 1.27 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.45 3h7b h GLU 128 CO 0.57 0.58 0.00 -0.40 -0.73 0.00 0.00 179.01 179.03 3h7b n ASP 129 N -4.68 0.00 -1.70 1.04 5.68 -1.26 -4.83 116.55 110.80 3h7b n ASP 129 Ca 0.20 0.07 -0.18 0.00 -0.50 0.00 0.00 54.79 54.38 3h7b n ASP 129 Cb 0.42 -0.29 -0.06 0.00 -1.14 0.00 0.00 41.12 40.05 3h7b n ASP 129 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3h7b n LEU 130 N -1.29 -1.39 -0.01 -2.12 4.77 -0.46 -4.81 117.00 111.69 3h7b n LEU 130 Ca 0.07 0.37 0.01 0.00 -0.03 0.00 0.00 56.01 56.43 3h7b n LEU 130 Cb 0.12 -2.58 -0.03 0.00 -2.33 0.00 0.00 43.42 38.60 3h7b n LEU 130 CO 0.11 -0.80 -0.58 0.54 -1.33 0.00 0.00 177.39 175.34 3h7b n ARG 131 N -2.34 1.35 -4.49 3.23 1.74 -1.26 -4.58 116.66 110.30 3h7b n ARG 131 Ca -0.19 -0.02 -0.25 0.00 -0.77 0.00 0.00 57.85 56.62 3h7b n ARG 131 Cb 0.61 -1.10 -0.08 0.00 -1.02 0.00 0.00 32.46 30.86 3h7b n ARG 131 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3h7b s SER 132 N -2.86 2.67 0.10 0.55 1.04 -1.26 -4.86 113.70 109.07 3h7b s SER 132 Ca -0.02 -1.65 0.07 0.00 0.48 0.00 0.00 55.95 54.84 3h7b s SER 132 Cb 0.02 0.45 -0.03 0.00 0.10 0.00 0.00 66.02 66.56 3h7b s SER 132 CO 0.17 -0.91 -0.19 0.26 0.98 0.00 0.00 173.24 173.56 3h7b s TRP 133 N -3.24 1.63 -0.23 5.02 0.52 -1.26 -1.23 118.94 120.15 3h7b s TRP 133 Ca 0.26 -0.44 -0.04 0.00 0.02 0.00 0.00 56.10 55.90 3h7b s TRP 133 Cb 0.03 -0.89 -0.00 0.00 -1.15 0.00 0.00 33.47 31.46 3h7b s TRP 133 CO 0.15 0.18 -0.03 0.99 0.02 0.00 0.00 176.95 178.25 3h7b s THR 134 N -1.31 3.39 -0.19 2.01 2.01 0.22 -4.89 115.64 116.89 3h7b s THR 134 Ca 0.05 -0.56 -0.04 0.00 0.31 0.00 0.00 61.69 61.45 3h7b s THR 134 Cb -0.09 -2.58 -0.02 0.00 0.01 0.00 0.00 72.50 69.81 3h7b s THR 134 CO 0.04 0.37 -0.03 0.00 -0.69 0.00 0.00 174.62 174.31 3h7b s ALA 135 N 1.47 2.93 0.00 7.40 0.00 -1.26 -1.62 121.76 130.68 3h7b s ALA 135 Ca 0.05 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 51.02 3h7b s ALA 135 Cb -0.15 -1.66 0.00 0.00 0.00 0.00 0.00 23.12 21.31 3h7b s ALA 135 CO -0.03 -0.10 0.47 0.00 0.00 0.00 0.00 175.76 176.10 3h7b n ALA 136 N 4.16 -0.20 -1.72 0.00 0.00 -0.67 -4.90 120.51 117.17 3h7b n ALA 136 Ca -0.17 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.10 3h7b n ALA 136 Cb 0.52 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.12 3h7b n ALA 136 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3h7b n ASP 137 N -1.63 0.11 -0.03 0.00 9.92 -1.26 -4.94 116.55 118.72 3h7b n ASP 137 Ca 0.00 -1.38 -0.12 0.00 -0.53 0.00 0.00 54.79 52.76 3h7b n ASP 137 Cb 0.00 -0.74 0.00 0.00 -0.64 0.00 0.00 41.12 39.74 3h7b n ASP 137 CO 0.00 0.00 0.00 -0.03 0.13 0.00 0.00 177.20 177.30 3h7b h MET 138 N 0.00 0.70 -0.92 -1.24 4.05 -2.00 -3.25 114.93 112.27 3h7b h MET 138 Ca -0.32 -0.46 0.05 0.00 -0.28 0.00 0.00 59.70 58.69 3h7b h MET 138 Cb 0.88 0.06 -0.06 0.00 -0.80 0.00 0.00 31.60 31.69 3h7b h MET 138 CO 0.23 1.08 0.60 0.00 0.23 0.00 0.00 176.91 179.05 3h7b h ALA 139 N 0.82 1.45 0.00 0.39 0.00 -1.93 -2.39 119.26 117.60 3h7b h ALA 139 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3h7b h ALA 139 Cb 1.16 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3h7b h ALA 139 CO 0.12 0.44 0.00 0.00 0.00 0.00 0.00 179.25 179.81 3h7b n ALA 140 N -2.39 1.84 0.10 0.00 0.00 -1.23 -2.55 120.51 116.27 3h7b n ALA 140 Ca 0.13 -0.04 -0.04 0.00 0.00 0.00 0.00 53.44 53.49 3h7b n ALA 140 Cb 0.14 -1.32 0.01 0.00 0.00 0.00 0.00 19.45 18.28 3h7b n ALA 140 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3h7b h GLN 141 N 0.00 0.00 -0.57 0.00 1.08 -1.49 -0.77 115.11 113.36 3h7b h GLN 141 Ca 0.00 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.17 3h7b h GLN 141 Cb 0.35 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.75 3h7b h GLN 141 CO 0.00 0.81 0.25 1.15 -0.95 0.00 0.00 178.83 180.09 3h7b h THR 142 N 0.00 1.22 0.05 -0.54 2.02 -1.60 -0.99 112.91 113.07 3h7b h THR 142 Ca -0.01 -0.65 -0.00 0.00 0.77 0.00 0.00 66.41 66.52 3h7b h THR 142 Cb 1.46 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 68.46 3h7b h THR 142 CO 0.11 0.26 -0.02 0.74 0.37 0.00 0.00 175.52 176.97 3h7b h THR 143 N 0.78 1.11 -0.53 3.16 2.02 -1.62 -0.71 112.91 117.12 3h7b h THR 143 Ca 0.19 -0.52 0.11 0.00 0.77 0.00 0.00 66.41 66.96 3h7b h THR 143 Cb 0.17 1.45 -0.10 0.00 -1.74 0.00 0.00 68.15 67.93 3h7b h THR 143 CO -0.02 0.13 -0.14 0.50 0.37 0.00 0.00 175.52 176.37 3h7b h LYS 144 N -0.29 -0.00 -0.40 6.66 3.64 -1.05 0.10 116.57 125.23 3h7b h LYS 144 Ca -0.01 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 3h7b h LYS 144 Cb 0.27 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 3h7b h LYS 144 CO 0.01 -0.00 0.11 0.45 -2.27 0.00 0.00 179.45 177.74 3h7b h HIS 145 N -0.00 0.66 -0.54 1.91 3.86 -1.09 -0.66 115.15 119.28 3h7b h HIS 145 Ca 0.26 -0.07 0.09 0.00 -1.16 0.00 0.00 60.37 59.49 3h7b h HIS 145 Cb 0.39 -0.19 -0.08 0.00 1.06 0.00 0.00 27.41 28.60 3h7b h HIS 145 CO -0.45 0.63 0.12 0.87 0.86 0.00 0.00 177.93 179.96 3h7b h LYS 146 N 0.50 0.26 0.00 2.45 1.57 -0.51 -2.45 116.57 118.38 3h7b h LYS 146 Ca 0.13 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.78 3h7b h LYS 146 Cb 0.29 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 3h7b h LYS 146 CO -0.00 0.17 -0.55 -1.49 -0.57 0.00 0.00 179.45 177.01 3h7b h TRP 147 N 0.26 0.00 -0.16 -1.35 4.06 -0.45 -2.26 115.95 116.06 3h7b h TRP 147 Ca 0.28 0.00 -0.19 0.00 2.06 0.00 0.00 58.89 61.04 3h7b h TRP 147 Cb 0.38 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.54 3h7b h TRP 147 CO -0.23 0.55 -0.67 0.93 -3.56 0.00 0.00 178.44 175.46 3h7b h GLU 148 N 0.00 0.62 -0.05 0.49 5.08 -0.98 -1.38 114.58 118.36 3h7b h GLU 148 Ca -0.01 -0.46 -0.17 0.00 -1.00 0.00 0.00 59.36 57.72 3h7b h GLU 148 Cb 1.11 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 3h7b h GLU 148 CO 0.07 1.08 -0.73 0.00 -1.00 0.00 0.00 179.01 178.44 3h7b h ALA 149 N 0.80 0.67 -0.31 3.43 0.00 -1.18 -2.95 119.26 119.73 3h7b h ALA 149 Ca -0.02 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.27 3h7b h ALA 149 Cb 1.26 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3h7b h ALA 149 CO 0.13 0.79 0.00 0.00 0.00 0.00 0.00 179.25 180.17 3h7b n ALA 150 N -2.48 2.47 -3.92 0.00 0.00 -0.87 -4.97 120.51 110.74 3h7b n ALA 150 Ca -0.03 -0.65 -0.25 0.00 0.00 0.00 0.00 53.44 52.51 3h7b n ALA 150 Cb 0.70 -1.01 -0.01 0.00 0.00 0.00 0.00 19.45 19.13 3h7b n ALA 150 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3h7b n HIS 151 N 0.60 -1.68 0.03 0.00 -0.00 -0.99 -4.88 115.22 108.30 3h7b n HIS 151 Ca 0.15 0.76 -0.07 0.00 -0.00 0.00 0.00 57.72 58.56 3h7b n HIS 151 Cb 0.36 -3.83 0.10 0.00 -0.00 0.00 0.00 29.99 26.62 3h7b n HIS 151 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 3h7b h VAL 152 N -1.84 1.33 -0.47 1.59 2.07 -1.55 -3.19 116.25 114.19 3h7b h VAL 152 Ca -0.63 -1.79 -0.10 0.00 0.82 0.00 0.00 66.70 65.01 3h7b h VAL 152 Cb 1.37 1.79 -0.02 0.00 -1.52 0.00 0.00 31.29 32.92 3h7b h VAL 152 CO 0.62 0.55 -0.10 0.00 0.02 0.00 0.00 177.57 178.65 3h7b h ALA 153 N 1.09 0.93 -0.46 1.67 0.00 -1.89 0.12 119.26 120.71 3h7b h ALA 153 Ca 0.01 -0.33 0.07 0.00 0.00 0.00 0.00 54.91 54.67 3h7b h ALA 153 Cb 1.04 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.59 3h7b h ALA 153 CO 0.09 0.62 0.11 0.93 0.00 0.00 0.00 179.25 181.01 3h7b h GLU 154 N 0.78 0.25 -0.18 0.00 3.07 -1.80 0.28 114.58 116.98 3h7b h GLU 154 Ca 0.13 -0.02 -0.08 0.00 -0.50 0.00 0.00 59.36 58.89 3h7b h GLU 154 Cb 0.61 -0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 28.46 3h7b h GLU 154 CO 0.04 0.17 -0.21 1.96 -1.40 0.00 0.00 179.01 179.57 3h7b h GLN 155 N 0.26 0.45 -0.86 2.33 4.20 -1.38 -2.62 115.11 117.50 3h7b h GLN 155 Ca 0.22 -0.25 0.03 0.00 0.06 0.00 0.00 58.65 58.71 3h7b h GLN 155 Cb 0.27 0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.02 3h7b h GLN 155 CO -0.27 0.83 0.56 1.25 -0.67 0.00 0.00 178.83 180.53 3h7b h LEU 156 N 0.10 0.94 -0.39 1.46 6.46 -0.67 -2.67 115.31 120.54 3h7b h LEU 156 Ca 0.02 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.78 3h7b h LEU 156 Cb 0.77 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 40.46 3h7b h LEU 156 CO 0.05 0.65 0.25 -0.09 -0.62 0.00 0.00 178.44 178.69 3h7b h ARG 157 N 1.10 0.51 -0.78 1.25 2.43 -0.31 -1.07 114.38 117.51 3h7b h ARG 157 Ca 0.34 -0.03 0.15 0.00 -0.81 0.00 0.00 59.98 59.63 3h7b h ARG 157 Cb -0.02 -0.11 -0.10 0.00 -0.42 0.00 0.00 29.97 29.31 3h7b h ARG 157 CO -0.11 0.34 0.32 0.00 -1.51 0.00 0.00 179.97 179.01 3h7b h ALA 158 N 1.14 1.12 0.07 2.80 0.00 -1.39 0.22 119.26 123.22 3h7b h ALA 158 Ca 0.14 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 3h7b h ALA 158 Cb -0.05 0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3h7b h ALA 158 CO -0.03 -0.22 -0.03 -0.92 0.00 0.00 0.00 179.25 178.05 3h7b h TYR 159 N 0.45 -0.09 -0.30 0.00 3.20 -1.10 -2.01 116.97 117.11 3h7b h TYR 159 Ca 0.44 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 62.22 3h7b h TYR 159 Cb 0.68 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.97 3h7b h TYR 159 CO -0.16 0.11 -0.16 -0.07 -1.64 0.00 0.00 178.16 176.24 3h7b h LEU 160 N -0.28 0.52 0.00 2.82 3.38 -0.32 0.00 115.31 121.43 3h7b h LEU 160 Ca -0.01 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 3h7b h LEU 160 Cb 0.24 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 3h7b h LEU 160 CO 0.02 0.70 -0.56 -0.33 0.09 0.00 0.00 178.44 178.36 3h7b h GLU 161 N 0.48 0.00 0.00 1.13 5.08 -1.10 -3.34 114.58 116.84 3h7b h GLU 161 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3h7b h GLU 161 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 3h7b h GLU 161 CO 0.04 0.01 0.00 0.41 -1.00 0.00 0.00 179.01 178.46 3h7b n GLY 162 N 1.15 0.71 0.36 -3.84 0.00 -0.76 -4.70 105.19 98.11 3h7b n GLY 162 Ca 0.02 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.06 3h7b n GLY 162 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3h7b n THR 163 N 0.00 -0.46 0.02 2.61 -1.04 -1.08 -1.77 114.28 112.56 3h7b n THR 163 Ca 0.00 2.22 -0.10 0.00 -2.04 0.00 0.00 64.05 64.13 3h7b n THR 163 Cb 0.00 -3.00 -0.03 0.00 -1.82 0.00 0.00 70.33 65.48 3h7b n THR 163 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3h7b h VAL 165 N -0.22 1.57 -0.75 0.00 -1.51 -1.59 -1.84 116.25 111.90 3h7b h VAL 165 Ca 0.08 -3.03 -0.04 0.00 -1.23 0.00 0.00 66.70 62.49 3h7b h VAL 165 Cb 0.34 2.66 -0.03 0.00 -2.13 0.00 0.00 31.29 32.12 3h7b h VAL 165 CO -0.22 0.85 0.32 -0.33 -1.23 0.00 0.00 177.57 176.96 3h7b h GLU 166 N 0.00 1.10 -0.03 5.19 5.08 -1.07 -1.68 114.58 123.17 3h7b h GLU 166 Ca -0.01 -0.18 -0.23 0.00 -1.00 0.00 0.00 59.36 57.94 3h7b h GLU 166 Cb 1.59 -0.19 0.01 0.00 0.50 0.00 0.00 28.75 30.66 3h7b h GLU 166 CO 0.11 0.88 -0.91 -1.49 -1.00 0.00 0.00 179.01 176.60 3h7b h TRP 167 N 1.06 0.77 -0.41 4.33 4.06 -1.18 -1.60 115.95 122.99 3h7b h TRP 167 Ca 0.25 -0.40 0.08 0.00 2.06 0.00 0.00 58.89 60.89 3h7b h TRP 167 Cb 0.17 -0.10 -0.09 0.00 -1.00 0.00 0.00 29.16 28.15 3h7b h TRP 167 CO 0.01 1.21 -0.24 1.25 -3.56 0.00 0.00 178.44 177.11 3h7b h LEU 168 N 0.32 -0.82 -1.00 -4.49 5.85 -1.24 0.49 115.31 114.42 3h7b h LEU 168 Ca -0.08 0.17 -0.05 0.00 0.84 0.00 0.00 57.88 58.76 3h7b h LEU 168 Cb 1.54 0.42 -0.03 0.00 0.37 0.00 0.00 40.66 42.97 3h7b h LEU 168 CO 0.17 -0.27 0.15 0.03 -0.34 0.00 0.00 178.44 178.18 3h7b h ARG 169 N -0.17 0.87 -0.22 1.25 3.08 -1.15 -0.93 114.38 117.12 3h7b h ARG 169 Ca 0.19 -0.18 0.01 0.00 0.07 0.00 0.00 59.98 60.07 3h7b h ARG 169 Cb 0.48 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 3h7b h ARG 169 CO -0.51 0.78 0.13 -0.09 -1.07 0.00 0.00 179.97 179.21 3h7b h ARG 170 N 0.84 0.26 -0.49 0.04 2.43 -0.76 -1.57 114.38 115.13 3h7b h ARG 170 Ca 0.19 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.31 3h7b h ARG 170 Cb 0.29 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 3h7b h ARG 170 CO -0.00 0.17 0.18 1.88 -1.51 0.00 0.00 179.97 180.70 3h7b h TYR 171 N 0.27 0.75 -0.90 2.20 0.05 -0.53 0.08 116.97 118.89 3h7b h TYR 171 Ca 0.08 -0.06 0.05 0.00 0.05 0.00 0.00 58.73 58.85 3h7b h TYR 171 Cb -0.01 -0.22 -0.06 0.00 1.01 0.00 0.00 36.73 37.44 3h7b h TYR 171 CO -0.07 0.64 0.57 -0.07 -1.05 0.00 0.00 178.16 178.18 3h7b h LEU 172 N 0.65 0.92 0.13 3.88 3.38 -1.10 0.55 115.31 123.72 3h7b h LEU 172 Ca 0.16 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 3h7b h LEU 172 Cb 0.21 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3h7b h LEU 172 CO -0.01 0.60 -0.06 -0.33 0.09 0.00 0.00 178.44 178.73 3h7b h GLU 173 N 1.06 -0.17 -0.47 1.13 4.39 -0.99 -2.60 114.58 116.94 3h7b h GLU 173 Ca 0.38 0.01 -0.08 0.00 0.34 0.00 0.00 59.36 60.01 3h7b h GLU 173 Cb 0.11 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.79 3h7b h GLU 173 CO -0.15 0.13 -0.03 -0.91 -1.16 0.00 0.00 179.01 176.89 3h7b h ASN 174 N -0.47 0.83 -0.88 1.42 -0.26 -0.60 -2.73 115.58 112.89 3h7b h ASN 174 Ca -0.02 -0.32 -0.53 0.00 -0.56 0.00 0.00 56.30 54.87 3h7b h ASN 174 Cb 0.38 -0.22 -0.27 0.00 -1.06 0.00 0.00 38.32 37.15 3h7b h ASN 174 CO 0.03 0.95 0.68 0.61 -1.06 0.00 0.00 177.43 178.64 3h7b n GLY 175 N -0.34 4.83 0.26 2.83 0.00 0.19 -4.76 105.19 108.20 3h7b n GLY 175 Ca 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.54 3h7b n GLY 175 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3h7b h LYS 176 N 1.37 0.00 0.00 1.61 3.64 -1.13 0.12 116.57 122.17 3h7b h LYS 176 Ca 0.55 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.91 3h7b h LYS 176 Cb 1.78 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.59 3h7b h LYS 176 CO 1.19 0.00 -0.10 0.93 -2.27 0.00 0.00 179.45 179.21 3h7b h GLU 177 N 0.00 0.00 0.00 1.90 5.08 -1.87 0.45 114.58 120.14 3h7b h GLU 177 Ca 0.33 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.53 3h7b h GLU 177 Cb 0.50 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 3h7b h GLU 177 CO -0.69 0.10 -1.25 2.41 -1.00 0.00 0.00 179.01 178.57 3h7b n THR 178 N -3.62 1.49 0.09 1.13 -1.04 -0.71 -4.40 114.28 107.22 3h7b n THR 178 Ca -0.02 0.01 -0.01 0.00 -2.04 0.00 0.00 64.05 61.99 3h7b n THR 178 Cb 0.22 -2.18 -0.04 0.00 -1.82 0.00 0.00 70.33 66.50 3h7b n THR 178 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3h7b h LEU 179 N -1.00 0.00 -3.58 -4.42 3.38 -0.85 -3.23 115.31 105.61 3h7b h LEU 179 Ca -0.24 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.70 3h7b h LEU 179 Cb 1.06 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 3h7b h LEU 179 CO -0.15 0.69 0.04 0.00 0.09 0.00 0.00 178.44 179.11 3h7b n GLN 180 N -3.20 4.76 -3.13 1.13 6.02 0.15 -4.93 117.38 118.19 3h7b n GLN 180 Ca -0.02 -3.14 -0.27 0.00 -0.01 0.00 0.00 57.00 53.57 3h7b n GLN 180 Cb 0.83 -2.27 -0.02 0.00 1.02 0.00 0.00 30.24 29.81 3h7b n GLN 180 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 3h7b s ARG 181 N -2.79 3.57 0.00 -1.09 1.70 -1.22 -4.96 118.95 114.16 3h7b s ARG 181 Ca 0.55 -0.02 0.06 0.00 -0.47 0.00 0.00 55.73 55.84 3h7b s ARG 181 Cb 0.42 -2.56 -0.02 0.00 -0.57 0.00 0.00 34.95 32.22 3h7b s ARG 181 CO 0.16 0.06 -0.18 0.95 -1.08 0.00 0.00 175.30 175.21 3h7b s THR 182 N -2.36 1.42 -0.31 4.99 -4.23 -1.26 -4.72 115.64 109.17 3h7b s THR 182 Ca 0.44 -0.87 -0.08 0.00 -1.18 0.00 0.00 61.69 60.00 3h7b s THR 182 Cb -0.10 -1.20 0.01 0.00 1.34 0.00 0.00 72.50 72.54 3h7b s THR 182 CO 0.36 0.31 0.11 -1.81 -0.54 0.00 0.00 174.62 173.06 3h7b s ASP 183 N -0.65 5.31 0.49 3.99 1.01 0.38 -4.91 116.67 122.28 3h7b s ASP 183 Ca 0.06 -0.67 -0.23 0.00 0.71 0.00 0.00 52.55 52.43 3h7b s ASP 183 Cb -0.07 -1.93 -0.06 0.00 1.01 0.00 0.00 42.92 41.86 3h7b s ASP 183 CO 0.00 -0.21 1.25 0.00 0.21 0.00 0.00 175.17 176.42 3h7b s ALA 184 N 1.54 2.92 0.38 5.23 0.00 -1.26 -1.28 121.76 129.29 3h7b s ALA 184 Ca 0.03 1.11 -0.27 0.00 0.00 0.00 0.00 51.96 52.82 3h7b s ALA 184 Cb -0.17 -3.46 -0.10 0.00 0.00 0.00 0.00 23.12 19.39 3h7b s ALA 184 CO 0.04 -0.95 1.36 -1.25 0.00 0.00 0.00 175.76 174.96 3h7b s PRO 185 N -2.77 4.11 -0.20 0.00 0.04 -1.26 -4.52 135.00 130.41 3h7b s PRO 185 Ca 0.67 2.30 -0.15 0.00 0.04 0.00 0.00 61.00 63.86 3h7b s PRO 185 Cb -0.34 -2.91 -0.04 0.00 0.04 0.00 0.00 34.50 31.25 3h7b s PRO 185 CO 0.40 -0.42 0.37 0.15 0.04 0.00 0.00 177.00 177.54 3h7b s LYS 186 N -2.07 4.17 0.09 4.56 1.02 0.93 -4.85 119.74 123.59 3h7b s LYS 186 Ca 0.53 0.16 0.08 0.00 0.02 0.00 0.00 55.97 56.76 3h7b s LYS 186 Cb -0.41 -3.53 -0.04 0.00 -0.52 0.00 0.00 37.83 33.33 3h7b s LYS 186 CO 0.55 -0.02 -0.18 0.95 -0.92 0.00 0.00 175.35 175.72 3h7b s THR 187 N 1.27 2.83 0.30 2.17 -4.23 -1.26 -1.30 115.64 115.41 3h7b s THR 187 Ca 0.18 -1.39 -0.13 0.00 -1.18 0.00 0.00 61.69 59.17 3h7b s THR 187 Cb -0.15 -2.26 0.01 0.00 1.34 0.00 0.00 72.50 71.45 3h7b s THR 187 CO 0.08 0.19 0.58 -1.38 -0.54 0.00 0.00 174.62 173.54 3h7b s HIS 188 N -1.06 0.35 0.05 3.99 -3.43 -1.08 -5.00 115.29 109.11 3h7b s HIS 188 Ca 0.17 -0.76 0.06 0.00 -0.80 0.00 0.00 55.06 53.72 3h7b s HIS 188 Cb -0.11 0.36 -0.02 0.00 -1.43 0.00 0.00 32.58 31.38 3h7b s HIS 188 CO 0.08 -1.18 -0.17 -1.64 -2.00 0.00 0.00 174.74 169.84 3h7b s MET 189 N -3.49 1.10 0.25 -0.38 -1.94 -1.26 -0.15 119.30 113.44 3h7b s MET 189 Ca 0.21 -0.87 0.11 0.00 -1.71 0.00 0.00 55.69 53.42 3h7b s MET 189 Cb -0.02 -1.17 -0.05 0.00 2.01 0.00 0.00 34.83 35.60 3h7b s MET 189 CO 0.11 0.29 -0.19 0.95 -0.01 0.00 0.00 175.02 176.18 3h7b s THR 190 N -0.89 2.26 -0.06 2.05 -4.23 -0.75 -4.98 115.64 109.04 3h7b s THR 190 Ca 0.04 -2.33 -0.01 0.00 -1.18 0.00 0.00 61.69 58.21 3h7b s THR 190 Cb -0.08 -2.21 0.03 0.00 1.34 0.00 0.00 72.50 71.57 3h7b s THR 190 CO 0.02 -0.44 0.01 -2.28 -0.54 0.00 0.00 174.62 171.39 3h7b s HIS 191 N -2.59 0.47 -0.03 3.99 2.46 -1.26 -1.33 115.29 117.00 3h7b s HIS 191 Ca 0.27 -0.04 -0.00 0.00 0.47 0.00 0.00 55.06 55.76 3h7b s HIS 191 Cb -0.04 -0.66 0.03 0.00 -0.13 0.00 0.00 32.58 31.78 3h7b s HIS 191 CO 0.12 -0.26 0.02 -1.58 -2.47 0.00 0.00 174.74 170.58 3h7b s HIS 192 N 1.84 0.23 -0.21 3.88 5.04 -0.65 -4.97 115.29 120.44 3h7b s HIS 192 Ca 0.02 0.07 -0.29 0.00 -1.54 0.00 0.00 55.06 53.32 3h7b s HIS 192 Cb -0.12 -0.43 -0.02 0.00 0.04 0.00 0.00 32.58 32.04 3h7b s HIS 192 CO -0.04 -0.16 1.40 0.00 -2.34 0.00 0.00 174.74 173.60 3h7b s ALA 193 N 1.43 3.47 0.01 1.58 0.00 -1.26 -0.05 121.76 126.95 3h7b s ALA 193 Ca -0.04 0.40 -0.25 0.00 0.00 0.00 0.00 51.96 52.07 3h7b s ALA 193 Cb -0.13 -3.74 -0.17 0.00 0.00 0.00 0.00 23.12 19.09 3h7b s ALA 193 CO -0.03 -1.56 1.29 0.28 0.00 0.00 0.00 175.76 175.74 3h7b h VAL 194 N 5.80 0.77 -0.36 0.00 2.07 -1.72 -3.47 116.25 119.35 3h7b h VAL 194 Ca -0.29 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 66.63 3h7b h VAL 194 Cb 1.12 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.98 3h7b h VAL 194 CO 1.00 0.12 0.00 -1.54 0.02 0.00 0.00 177.57 177.17 3h7b n SER 195 N -5.11 0.00 0.18 0.57 3.41 -1.13 -5.03 113.62 106.52 3h7b n SER 195 Ca -0.09 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.59 3h7b n SER 195 Cb 0.25 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.34 3h7b n SER 195 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 3h7b h ASP 196 N 0.00 0.00 -0.01 4.04 3.58 -2.04 -3.34 116.42 118.65 3h7b h ASP 196 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 3h7b h ASP 196 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 3h7b h ASP 196 CO 0.00 0.27 -0.05 0.00 -2.88 0.00 0.00 179.24 176.58 3h7b n HIS 197 N -3.19 0.00 -3.68 0.28 1.44 -1.26 -4.86 115.22 103.96 3h7b n HIS 197 Ca 0.03 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.63 3h7b n HIS 197 Cb 0.62 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.67 3h7b n HIS 197 CO 0.00 0.00 0.00 -1.83 -2.81 0.00 0.00 176.34 171.70 3h7b s GLU 198 N -1.04 1.01 0.01 -1.40 -1.05 -1.25 -1.76 118.70 113.22 3h7b s GLU 198 Ca 0.12 -0.72 -0.05 0.00 -0.15 0.00 0.00 54.97 54.17 3h7b s GLU 198 Cb 0.09 0.44 -0.01 0.00 -0.44 0.00 0.00 34.13 34.21 3h7b s GLU 198 CO 0.17 -0.38 0.08 0.00 0.95 0.00 0.00 175.26 176.08 3h7b s ALA 199 N -3.69 -0.15 -0.19 -0.84 0.00 0.49 -1.92 121.76 115.46 3h7b s ALA 199 Ca 0.03 -0.35 -0.20 0.00 0.00 0.00 0.00 51.96 51.43 3h7b s ALA 199 Cb 0.02 0.15 -0.03 0.00 0.00 0.00 0.00 23.12 23.26 3h7b s ALA 199 CO -0.11 -0.21 0.60 0.99 0.00 0.00 0.00 175.76 177.03 3h7b s THR 200 N -1.64 5.05 -0.25 0.00 2.01 0.93 -0.20 115.64 121.53 3h7b s THR 200 Ca -0.13 1.13 -0.09 0.00 0.31 0.00 0.00 61.69 62.91 3h7b s THR 200 Cb -0.07 -3.92 -0.04 0.00 0.01 0.00 0.00 72.50 68.48 3h7b s THR 200 CO -0.00 0.14 0.12 -0.76 -0.69 0.00 0.00 174.62 173.43 3h7b s LEU 201 N 1.74 3.73 -0.17 4.42 1.43 -0.16 -1.63 118.68 128.03 3h7b s LEU 201 Ca 0.28 -0.09 -0.02 0.00 -1.03 0.00 0.00 54.13 53.27 3h7b s LEU 201 Cb -0.16 -2.01 -0.01 0.00 0.03 0.00 0.00 46.19 44.04 3h7b s LEU 201 CO 0.11 -0.02 -0.10 -0.60 0.23 0.00 0.00 176.35 175.97 3h7b s ARG 202 N 1.53 3.35 -0.25 1.70 3.52 -0.44 -1.46 118.95 126.90 3h7b s ARG 202 Ca 0.06 -0.67 -0.09 0.00 -0.13 0.00 0.00 55.73 54.90 3h7b s ARG 202 Cb -0.15 -2.80 -0.04 0.00 -1.56 0.00 0.00 34.95 30.40 3h7b s ARG 202 CO 0.06 -0.00 0.13 0.00 -0.81 0.00 0.00 175.30 174.68 3h7b s TRP 204 N 1.37 3.10 -0.18 0.00 0.52 0.79 -1.75 118.94 122.80 3h7b s TRP 204 Ca 0.06 0.14 0.01 0.00 0.02 0.00 0.00 56.10 56.33 3h7b s TRP 204 Cb -0.15 -1.75 0.04 0.00 -1.15 0.00 0.00 33.47 30.45 3h7b s TRP 204 CO 0.06 0.44 -0.11 0.00 0.02 0.00 0.00 176.95 177.36 3h7b s ALA 205 N -0.90 1.92 0.16 0.98 0.00 0.03 -2.62 121.76 121.33 3h7b s ALA 205 Ca 0.14 -1.08 0.09 0.00 0.00 0.00 0.00 51.96 51.11 3h7b s ALA 205 Cb -0.11 -1.20 -0.04 0.00 0.00 0.00 0.00 23.12 21.77 3h7b s ALA 205 CO 0.03 -0.67 -0.20 -0.51 0.00 0.00 0.00 175.76 174.41 3h7b s LEU 206 N 1.44 2.42 -1.02 0.00 1.43 -0.42 -1.34 118.68 121.19 3h7b s LEU 206 Ca 0.01 -0.84 -0.06 0.00 -1.03 0.00 0.00 54.13 52.21 3h7b s LEU 206 Cb -0.15 -0.93 0.01 0.00 0.03 0.00 0.00 46.19 45.14 3h7b s LEU 206 CO -0.09 0.02 0.88 -0.24 0.23 0.00 0.00 176.35 177.16 3h7b n SER 207 N 0.40 -4.80 -4.70 2.29 2.88 -0.72 -0.05 113.62 108.92 3h7b n SER 207 Ca -0.14 -0.42 -0.26 0.00 -1.33 0.00 0.00 58.87 56.72 3h7b n SER 207 Cb 0.56 -3.97 -0.07 0.00 -0.75 0.00 0.00 64.21 59.98 3h7b n SER 207 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 3h7b s PHE 208 N -3.25 2.92 -0.20 0.66 -0.12 -1.01 -4.58 117.98 112.41 3h7b s PHE 208 Ca 0.37 -0.11 -0.16 0.00 -0.05 0.00 0.00 56.93 56.98 3h7b s PHE 208 Cb -0.16 -1.40 0.06 0.00 -0.63 0.00 0.00 43.02 40.88 3h7b s PHE 208 CO 0.56 0.52 0.52 -0.47 -0.05 0.00 0.00 175.22 176.30 3h7b s TYR 209 N -1.78 -0.64 0.92 3.49 5.04 -0.40 -1.41 117.35 122.57 3h7b s TYR 209 Ca 0.29 1.46 -0.16 0.00 -2.44 0.00 0.00 57.07 56.22 3h7b s TYR 209 Cb -0.09 0.26 0.22 0.00 0.35 0.00 0.00 41.96 42.70 3h7b s TYR 209 CO 0.20 -0.32 1.03 -0.35 -1.34 0.00 0.00 175.55 174.77 3h7b n PRO 210 N 3.29 -1.87 0.11 4.97 -0.04 -1.26 -0.47 135.00 139.74 3h7b n PRO 210 Ca -0.16 -1.62 -0.01 0.00 -0.04 0.00 0.00 63.50 61.67 3h7b n PRO 210 Cb 0.56 -1.26 0.26 0.00 -0.04 0.00 0.00 33.50 33.03 3h7b n PRO 210 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3h7b h ALA 211 N -2.18 1.19 -2.15 0.55 0.00 -1.95 -3.44 119.26 111.26 3h7b h ALA 211 Ca -0.36 -0.39 -0.59 0.00 0.00 0.00 0.00 54.91 53.58 3h7b h ALA 211 Cb 1.03 -0.09 0.03 0.00 0.00 0.00 0.00 17.79 18.76 3h7b h ALA 211 CO 0.24 0.55 1.08 -1.91 0.00 0.00 0.00 179.25 179.22 3h7b n GLU 212 N -4.05 2.34 -3.66 0.00 4.07 -1.26 -4.98 120.64 113.10 3h7b n GLU 212 Ca -0.01 0.86 -0.15 0.00 -0.06 0.00 0.00 57.16 57.79 3h7b n GLU 212 Cb 0.45 -2.71 -0.08 0.00 -0.06 0.00 0.00 31.44 29.04 3h7b n GLU 212 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 3h7b s ILE 213 N 3.60 0.01 -0.18 6.31 2.07 -1.26 -4.64 121.20 127.11 3h7b s ILE 213 Ca 0.89 -0.12 -0.02 0.00 -1.41 0.00 0.00 60.65 60.00 3h7b s ILE 213 Cb -0.63 -0.80 -0.01 0.00 0.13 0.00 0.00 42.46 41.15 3h7b s ILE 213 CO 0.47 -0.06 -0.10 -0.89 -1.91 0.00 0.00 174.94 172.45 3h7b s THR 214 N -0.54 3.08 -0.15 4.00 2.01 -0.41 -5.00 115.64 118.64 3h7b s THR 214 Ca -0.07 -0.61 -0.00 0.00 0.31 0.00 0.00 61.69 61.32 3h7b s THR 214 Cb -0.03 -2.35 0.03 0.00 0.01 0.00 0.00 72.50 70.16 3h7b s THR 214 CO 0.04 0.48 -0.10 -0.22 -0.69 0.00 0.00 174.62 174.14 3h7b s LEU 215 N 1.01 1.59 0.04 4.42 2.96 -1.26 -1.23 118.68 126.21 3h7b s LEU 215 Ca -0.01 -0.52 0.00 0.00 -0.22 0.00 0.00 54.13 53.39 3h7b s LEU 215 Cb -0.15 -1.02 -0.03 0.00 0.50 0.00 0.00 46.19 45.49 3h7b s LEU 215 CO -0.01 -0.12 -0.04 0.42 -1.32 0.00 0.00 176.35 175.28 3h7b s THR 216 N 1.58 0.27 0.10 3.68 -4.23 -0.70 -4.94 115.64 111.38 3h7b s THR 216 Ca 0.03 -1.38 0.06 0.00 -1.18 0.00 0.00 61.69 59.22 3h7b s THR 216 Cb -0.14 -0.93 -0.04 0.00 1.34 0.00 0.00 72.50 72.73 3h7b s THR 216 CO -0.09 -0.71 -0.05 0.26 -0.54 0.00 0.00 174.62 173.48 3h7b s TRP 217 N -2.61 2.86 0.11 3.99 0.52 -1.26 0.32 118.94 122.86 3h7b s TRP 217 Ca -0.04 -0.09 0.06 0.00 0.02 0.00 0.00 56.10 56.06 3h7b s TRP 217 Cb -0.02 -1.49 -0.03 0.00 -1.15 0.00 0.00 33.47 30.78 3h7b s TRP 217 CO -0.05 0.45 -0.16 -0.65 0.02 0.00 0.00 176.95 176.56 3h7b s GLN 218 N -2.24 1.01 -0.16 4.98 -0.21 0.54 -1.96 119.66 121.62 3h7b s GLN 218 Ca 0.23 -1.15 0.00 0.00 0.02 0.00 0.00 55.36 54.47 3h7b s GLN 218 Cb -0.11 -1.04 0.02 0.00 1.00 0.00 0.00 33.01 32.88 3h7b s GLN 218 CO 0.16 0.22 -0.14 0.50 -2.12 0.00 0.00 175.29 173.91 3h7b s ARG 219 N -2.21 2.30 -1.34 2.91 3.52 -0.04 -1.22 118.95 122.87 3h7b s ARG 219 Ca 0.06 -0.61 0.00 0.00 -0.13 0.00 0.00 55.73 55.05 3h7b s ARG 219 Cb -0.08 -2.17 0.00 0.00 -1.56 0.00 0.00 34.95 31.14 3h7b s ARG 219 CO 0.03 -0.26 0.00 -0.25 -0.81 0.00 0.00 175.30 174.01 3h7b n ASP 220 N 4.75 -4.67 -0.00 -2.12 8.00 -0.22 -1.23 116.55 121.06 3h7b n ASP 220 Ca -0.17 0.12 -0.00 0.00 0.71 0.00 0.00 54.79 55.45 3h7b n ASP 220 Cb 0.50 -3.94 -0.00 0.00 -0.02 0.00 0.00 41.12 37.66 3h7b n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h7b n GLY 221 N -0.87 0.49 3.59 0.44 0.00 -1.26 -5.04 105.19 102.54 3h7b n GLY 221 Ca -0.19 -0.07 -0.34 0.00 0.00 0.00 0.00 46.02 45.42 3h7b n GLY 221 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h7b s GLU 222 N -0.13 3.73 0.40 1.61 0.41 -0.36 -5.02 118.70 119.32 3h7b s GLU 222 Ca 0.00 -0.42 -0.25 0.00 -0.41 0.00 0.00 54.97 53.89 3h7b s GLU 222 Cb 0.00 -3.04 -0.08 0.00 -1.78 0.00 0.00 34.13 29.23 3h7b s GLU 222 CO 0.00 0.32 1.16 -0.51 -0.49 0.00 0.00 175.26 175.74 3h7b s ASP 223 N 0.18 6.55 -0.49 -0.19 1.11 -1.26 -0.86 116.67 121.71 3h7b s ASP 223 Ca 0.01 2.32 0.03 0.00 0.18 0.00 0.00 52.55 55.09 3h7b s ASP 223 Cb -0.13 -2.61 0.43 0.00 1.07 0.00 0.00 42.92 41.68 3h7b s ASP 223 CO 0.02 -0.66 1.49 0.00 1.18 0.00 0.00 175.17 177.19 3h7b n GLN 224 N 0.07 3.24 -0.12 8.23 1.13 -0.83 -4.86 117.38 124.24 3h7b n GLN 224 Ca 0.04 -3.95 -0.06 0.00 -1.94 0.00 0.00 57.00 51.09 3h7b n GLN 224 Cb 0.47 -2.27 0.03 0.00 0.11 0.00 0.00 30.24 28.57 3h7b n GLN 224 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 3h7b h THR 225 N 1.97 0.89 0.00 5.09 2.02 -1.93 -1.20 112.91 119.76 3h7b h THR 225 Ca 0.44 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 67.50 3h7b h THR 225 Cb 1.02 0.55 -0.00 0.00 -1.74 0.00 0.00 68.15 67.98 3h7b h THR 225 CO 1.07 0.06 -0.05 -0.61 0.37 0.00 0.00 175.52 176.36 3h7b h GLN 226 N 0.31 0.00 -0.11 6.66 5.75 -2.00 -3.04 115.11 122.68 3h7b h GLN 226 Ca 0.18 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.68 3h7b h GLN 226 Cb 0.15 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.70 3h7b h GLN 226 CO -0.18 0.05 0.00 -0.25 -2.65 0.00 0.00 178.83 175.80 3h7b n ASP 227 N -3.53 2.93 -4.41 -0.69 8.00 -0.49 -4.98 116.55 113.37 3h7b n ASP 227 Ca -0.02 -2.96 -0.33 0.00 0.71 0.00 0.00 54.79 52.19 3h7b n ASP 227 Cb 0.16 -0.44 -0.14 0.00 -0.02 0.00 0.00 41.12 40.68 3h7b n ASP 227 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3h7b s THR 228 N -2.68 3.37 -0.24 -3.53 2.01 -0.97 -4.47 115.64 109.13 3h7b s THR 228 Ca 0.34 -0.55 -0.23 0.00 0.31 0.00 0.00 61.69 61.56 3h7b s THR 228 Cb 0.28 -2.44 -0.01 0.00 0.01 0.00 0.00 72.50 70.34 3h7b s THR 228 CO 0.05 0.51 0.78 -0.70 -0.69 0.00 0.00 174.62 174.57 3h7b s GLU 229 N 0.40 4.17 -0.14 4.92 2.12 0.48 -4.93 118.70 125.72 3h7b s GLU 229 Ca -0.08 0.85 0.01 0.00 0.36 0.00 0.00 54.97 56.11 3h7b s GLU 229 Cb -0.15 -3.64 0.02 0.00 0.26 0.00 0.00 34.13 30.62 3h7b s GLU 229 CO 0.04 -0.48 -0.16 -1.17 -0.54 0.00 0.00 175.26 172.95 3h7b s LEU 230 N 2.71 1.82 0.33 2.70 2.96 -1.26 -0.97 118.68 126.96 3h7b s LEU 230 Ca 0.33 -0.51 -0.06 0.00 -0.22 0.00 0.00 54.13 53.66 3h7b s LEU 230 Cb -0.15 -1.24 -0.05 0.00 0.50 0.00 0.00 46.19 45.24 3h7b s LEU 230 CO 0.08 -0.01 0.62 0.68 -1.32 0.00 0.00 176.35 176.40 3h7b s VAL 231 N 1.26 4.96 0.30 1.68 -7.23 -1.04 -5.04 120.40 115.29 3h7b s VAL 231 Ca 0.01 0.20 -0.30 0.00 -1.81 0.00 0.00 61.98 60.08 3h7b s VAL 231 Cb -0.14 -3.74 -0.12 0.00 0.56 0.00 0.00 36.38 32.94 3h7b s VAL 231 CO -0.08 -0.41 1.59 1.21 -0.31 0.00 0.00 175.10 177.10 3h7b n GLU 232 N -1.13 2.70 -1.68 4.82 2.13 -1.26 -4.60 120.64 121.62 3h7b n GLU 232 Ca -0.01 0.96 -0.45 0.00 0.66 0.00 0.00 57.16 58.33 3h7b n GLU 232 Cb 0.54 -2.74 -0.03 0.00 0.27 0.00 0.00 31.44 29.48 3h7b n GLU 232 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 3h7b n THR 233 N 2.01 0.55 -4.40 6.31 -1.04 -1.26 -4.86 114.28 111.60 3h7b n THR 233 Ca 0.08 -0.14 -0.19 0.00 -2.04 0.00 0.00 64.05 61.76 3h7b n THR 233 Cb 0.37 -1.56 -0.14 0.00 -1.82 0.00 0.00 70.33 67.18 3h7b n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3h7b s ARG 234 N 0.15 0.87 0.20 -2.82 1.70 -0.41 -4.96 118.95 113.67 3h7b s ARG 234 Ca 0.72 -0.54 -0.30 0.00 -0.47 0.00 0.00 55.73 55.14 3h7b s ARG 234 Cb -0.64 -0.84 -0.08 0.00 -0.57 0.00 0.00 34.95 32.81 3h7b s ARG 234 CO 0.44 0.22 1.25 -1.25 -1.08 0.00 0.00 175.30 174.88 3h7b s PRO 235 N -0.65 4.44 0.36 3.89 0.04 -1.26 -0.48 135.00 141.34 3h7b s PRO 235 Ca 0.02 1.97 0.20 0.00 0.04 0.00 0.00 61.00 63.22 3h7b s PRO 235 Cb -0.06 -3.21 0.41 0.00 0.04 0.00 0.00 34.50 31.68 3h7b s PRO 235 CO 0.00 -0.17 1.61 0.00 0.04 0.00 0.00 177.00 178.48 3h7b h ALA 236 N 5.25 0.85 0.00 8.56 0.00 -1.43 -3.47 119.26 129.02 3h7b h ALA 236 Ca -0.45 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.17 3h7b h ALA 236 Cb 1.21 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3h7b h ALA 236 CO 0.75 0.40 0.00 0.41 0.00 0.00 0.00 179.25 180.81 3h7b n GLY 237 N 0.84 1.62 0.54 0.00 0.00 -1.26 -4.88 105.19 102.04 3h7b n GLY 237 Ca 0.02 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.08 3h7b n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3h7b n ASP 238 N 0.00 2.80 0.00 1.61 5.68 -1.26 -4.94 116.55 120.44 3h7b n ASP 238 Ca 0.00 -2.04 0.00 0.00 -0.50 0.00 0.00 54.79 52.25 3h7b n ASP 238 Cb 0.00 -0.21 0.00 0.00 -1.14 0.00 0.00 41.12 39.77 3h7b n ASP 238 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3h7b n GLY 239 N 0.29 0.26 4.02 6.12 0.00 -1.26 -5.06 105.19 109.55 3h7b n GLY 239 Ca 0.10 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.91 3h7b n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3h7b s THR 240 N -2.08 2.18 0.12 2.61 -4.23 -1.26 -4.89 115.64 108.08 3h7b s THR 240 Ca 0.00 -0.84 0.03 0.00 -1.18 0.00 0.00 61.69 59.70 3h7b s THR 240 Cb 0.00 -2.34 -0.04 0.00 1.34 0.00 0.00 72.50 71.46 3h7b s THR 240 CO 0.00 0.00 -0.09 -0.36 -0.54 0.00 0.00 174.62 173.63 3h7b s PHE 241 N -2.84 1.08 0.05 3.99 0.40 -0.50 -1.10 117.98 119.04 3h7b s PHE 241 Ca 0.63 -0.80 0.04 0.00 -0.60 0.00 0.00 56.93 56.21 3h7b s PHE 241 Cb -0.06 -0.58 -0.02 0.00 0.51 0.00 0.00 43.02 42.87 3h7b s PHE 241 CO 0.41 -0.02 -0.11 -0.65 0.70 0.00 0.00 175.22 175.54 3h7b s GLN 242 N -3.57 0.72 0.01 0.44 -0.21 0.37 -1.75 119.66 115.66 3h7b s GLN 242 Ca 0.12 -0.79 -0.19 0.00 0.02 0.00 0.00 55.36 54.52 3h7b s GLN 242 Cb 0.02 -0.65 0.04 0.00 1.00 0.00 0.00 33.01 33.42 3h7b s GLN 242 CO -0.02 0.15 0.42 0.21 -2.12 0.00 0.00 175.29 173.94 3h7b s LYS 243 N -1.43 0.86 0.12 2.91 2.20 -0.45 -1.28 119.74 122.66 3h7b s LYS 243 Ca -0.03 -0.19 0.02 0.00 -0.36 0.00 0.00 55.97 55.41 3h7b s LYS 243 Cb -0.09 0.39 -0.04 0.00 -1.51 0.00 0.00 37.83 36.57 3h7b s LYS 243 CO 0.01 -0.27 -0.06 1.67 -0.36 0.00 0.00 175.35 176.34 3h7b s TRP 244 N -1.85 1.01 -0.05 4.03 1.48 -1.26 -0.79 118.94 121.51 3h7b s TRP 244 Ca -0.09 -0.90 0.00 0.00 -1.06 0.00 0.00 56.10 54.05 3h7b s TRP 244 Cb -0.02 -0.56 0.02 0.00 -1.16 0.00 0.00 33.47 31.75 3h7b s TRP 244 CO 0.02 -0.11 -0.03 0.00 -4.06 0.00 0.00 176.95 172.77 3h7b s ALA 245 N -3.57 0.64 0.11 2.67 0.00 -0.72 -2.50 121.76 118.40 3h7b s ALA 245 Ca 0.14 -0.05 0.09 0.00 0.00 0.00 0.00 51.96 52.15 3h7b s ALA 245 Cb 0.05 -0.48 -0.04 0.00 0.00 0.00 0.00 23.12 22.65 3h7b s ALA 245 CO -0.03 -0.12 -0.23 0.00 0.00 0.00 0.00 175.76 175.39 3h7b s ALA 246 N 1.15 2.01 0.07 0.00 0.00 -0.15 0.38 121.76 125.23 3h7b s ALA 246 Ca -0.07 -1.32 0.02 0.00 0.00 0.00 0.00 51.96 50.58 3h7b s ALA 246 Cb -0.14 -0.30 -0.03 0.00 0.00 0.00 0.00 23.12 22.65 3h7b s ALA 246 CO -0.01 0.43 -0.07 0.14 0.00 0.00 0.00 175.76 176.24 3h7b s VAL 247 N -1.12 0.61 -0.27 0.00 -7.23 -0.54 -0.39 120.40 111.47 3h7b s VAL 247 Ca 0.09 -1.53 -0.10 0.00 -1.81 0.00 0.00 61.98 58.63 3h7b s VAL 247 Cb -0.10 -1.17 -0.05 0.00 0.56 0.00 0.00 36.38 35.62 3h7b s VAL 247 CO 0.05 -0.65 0.17 -0.69 -0.31 0.00 0.00 175.10 173.67 3h7b s VAL 248 N -2.57 5.16 -0.22 1.32 1.01 -1.26 -0.99 120.40 122.84 3h7b s VAL 248 Ca 0.01 0.12 -0.03 0.00 0.00 0.00 0.00 61.98 62.08 3h7b s VAL 248 Cb -0.02 -3.44 0.00 0.00 0.00 0.00 0.00 36.38 32.92 3h7b s VAL 248 CO -0.02 0.28 -0.07 -0.69 0.00 0.00 0.00 175.10 174.59 3h7b s VAL 249 N 1.63 3.08 0.74 2.92 1.01 0.72 -4.92 120.40 125.58 3h7b s VAL 249 Ca 0.07 -0.64 -0.13 0.00 0.00 0.00 0.00 61.98 61.27 3h7b s VAL 249 Cb -0.16 -2.41 0.04 0.00 0.00 0.00 0.00 36.38 33.86 3h7b s VAL 249 CO 0.09 0.41 1.14 -2.84 0.00 0.00 0.00 175.10 173.90 3h7b s PRO 250 N 1.43 2.23 0.07 2.72 0.02 -1.26 -0.38 135.00 139.83 3h7b s PRO 250 Ca 0.05 1.47 -0.34 0.00 0.02 0.00 0.00 61.00 62.21 3h7b s PRO 250 Cb -0.14 -1.87 -0.13 0.00 0.02 0.00 0.00 34.50 32.38 3h7b s PRO 250 CO -0.05 -1.70 1.73 0.43 -0.33 0.00 0.00 177.00 177.07 3h7b n SER 251 N -3.00 3.38 0.00 2.53 7.64 -0.72 -2.02 113.62 121.43 3h7b n SER 251 Ca 0.11 1.03 0.00 0.00 1.01 0.00 0.00 58.87 61.02 3h7b n SER 251 Cb 0.52 -1.43 0.00 0.00 -1.01 0.00 0.00 64.21 62.29 3h7b n SER 251 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3h7b n GLY 252 N 3.89 0.71 0.92 0.23 0.00 -1.26 -4.93 105.19 104.74 3h7b n GLY 252 Ca 0.19 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.30 3h7b n GLY 252 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3h7b n GLN 253 N -2.04 2.25 -0.33 1.61 6.02 -0.86 -4.63 117.38 119.41 3h7b n GLN 253 Ca 0.00 -2.05 0.11 0.00 -0.01 0.00 0.00 57.00 55.05 3h7b n GLN 253 Cb 0.00 -1.40 0.32 0.00 1.02 0.00 0.00 30.24 30.18 3h7b n GLN 253 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 3h7b h GLU 254 N 3.45 0.77 0.00 -1.09 3.07 -1.92 -0.44 114.58 118.43 3h7b h GLU 254 Ca 0.00 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 3h7b h GLU 254 Cb 0.83 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 28.57 3h7b h GLU 254 CO 0.00 0.51 0.00 -0.56 -1.40 0.00 0.00 179.01 177.56 3h7b h GLN 255 N 0.80 0.00 0.00 2.33 3.07 -1.82 -2.29 115.11 117.19 3h7b h GLN 255 Ca 0.52 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.26 3h7b h GLN 255 Cb 0.76 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.32 3h7b h GLN 255 CO -0.29 0.00 0.00 0.00 0.09 0.00 0.00 178.83 178.63 3h7b h ARG 256 N 0.00 0.00 -5.51 0.06 3.08 -1.41 -3.46 114.38 107.14 3h7b h ARG 256 Ca 0.00 0.00 -0.64 0.00 0.07 0.00 0.00 59.98 59.41 3h7b h ARG 256 Cb 0.29 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 30.18 3h7b h ARG 256 CO 0.00 0.00 -0.59 0.71 -1.07 0.00 0.00 179.97 179.02 3h7b s TYR 257 N -3.40 3.22 -0.04 3.04 1.51 -0.86 -1.05 117.35 119.76 3h7b s TYR 257 Ca 0.05 0.08 0.04 0.00 -1.01 0.00 0.00 57.07 56.23 3h7b s TYR 257 Cb 0.07 -1.96 -0.00 0.00 -0.11 0.00 0.00 41.96 39.96 3h7b s TYR 257 CO 0.59 0.26 -0.15 0.95 -1.11 0.00 0.00 175.55 176.10 3h7b s THR 258 N -0.11 1.25 -0.11 -0.71 -4.23 -0.35 -4.39 115.64 106.99 3h7b s THR 258 Ca 0.06 -0.62 -0.11 0.00 -1.18 0.00 0.00 61.69 59.84 3h7b s THR 258 Cb -0.12 -1.08 -0.05 0.00 1.34 0.00 0.00 72.50 72.59 3h7b s THR 258 CO 0.02 0.37 0.23 0.00 -0.54 0.00 0.00 174.62 174.69 3h7b s HIS 260 N -0.52 2.76 -0.17 0.00 3.76 0.15 -0.53 115.29 120.73 3h7b s HIS 260 Ca 0.16 -1.28 -0.01 0.00 -0.15 0.00 0.00 55.06 53.79 3h7b s HIS 260 Cb -0.13 -1.89 -0.00 0.00 1.11 0.00 0.00 32.58 31.66 3h7b s HIS 260 CO 0.05 -0.61 -0.12 0.08 -0.85 0.00 0.00 174.74 173.29 3h7b s VAL 261 N 0.98 2.88 -0.13 -0.90 1.01 -0.54 -1.72 120.40 121.98 3h7b s VAL 261 Ca -0.02 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.28 3h7b s VAL 261 Cb -0.15 -2.24 -0.00 0.00 0.00 0.00 0.00 36.38 33.99 3h7b s VAL 261 CO -0.04 0.50 -0.18 -1.10 0.00 0.00 0.00 175.10 174.27 3h7b s GLN 262 N 0.94 3.19 -0.09 2.72 -0.21 -0.37 -1.69 119.66 124.16 3h7b s GLN 262 Ca -0.02 -0.78 -0.23 0.00 0.02 0.00 0.00 55.36 54.34 3h7b s GLN 262 Cb -0.15 -2.50 0.05 0.00 1.00 0.00 0.00 33.01 31.42 3h7b s GLN 262 CO -0.01 0.13 0.54 -1.58 -2.12 0.00 0.00 175.29 172.25 3h7b s HIS 263 N 0.50 -0.51 0.54 0.91 2.46 -1.26 -1.29 115.29 116.63 3h7b s HIS 263 Ca -0.12 0.99 0.21 0.00 0.47 0.00 0.00 55.06 56.61 3h7b s HIS 263 Cb -0.16 0.26 1.39 0.00 -0.13 0.00 0.00 32.58 33.94 3h7b s HIS 263 CO 0.05 -0.46 2.11 1.49 -2.47 0.00 0.00 174.74 175.46 3h7b h GLU 264 N 3.89 0.00 0.00 2.88 4.81 -1.93 -1.83 114.58 122.40 3h7b h GLU 264 Ca -0.28 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 3h7b h GLU 264 Cb 1.16 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.54 3h7b h GLU 264 CO 0.32 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 179.01 3h7b n GLY 265 N -1.54 -1.15 3.81 1.92 0.00 -1.26 -4.82 105.19 102.15 3h7b n GLY 265 Ca 0.01 -0.12 -0.37 0.00 0.00 0.00 0.00 46.02 45.54 3h7b n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h7b s LEU 266 N -2.59 4.34 0.50 0.99 1.43 -0.69 -4.33 118.68 118.33 3h7b s LEU 266 Ca 0.24 0.55 0.15 0.00 -1.03 0.00 0.00 54.13 54.05 3h7b s LEU 266 Cb 0.17 -2.27 1.19 0.00 0.03 0.00 0.00 46.19 45.32 3h7b s LEU 266 CO 0.40 0.27 2.10 1.55 0.23 0.00 0.00 176.35 180.90 3h7b h PRO 267 N 5.64 0.13 -2.76 1.29 0.13 -1.88 -3.45 132.00 131.10 3h7b h PRO 267 Ca -0.48 -0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 64.60 3h7b h PRO 267 Cb 1.20 -0.03 -0.14 0.00 0.13 0.00 0.00 31.00 32.16 3h7b h PRO 267 CO 0.66 0.08 0.16 -1.59 -0.23 0.00 0.00 178.00 177.09 3h7b s LYS 268 N -5.16 1.18 0.64 0.86 -2.85 -1.26 -5.16 119.74 107.99 3h7b s LYS 268 Ca -0.06 -0.28 -0.17 0.00 -1.00 0.00 0.00 55.97 54.46 3h7b s LYS 268 Cb 0.18 0.55 -0.01 0.00 -2.06 0.00 0.00 37.83 36.48 3h7b s LYS 268 CO 0.69 -0.47 1.19 -1.25 0.10 0.00 0.00 175.35 175.62 3h7b s PRO 269 N -2.98 2.70 0.10 1.78 0.05 -1.26 -4.98 135.00 130.41 3h7b s PRO 269 Ca -0.03 1.75 -0.12 0.00 0.05 0.00 0.00 61.00 62.66 3h7b s PRO 269 Cb -0.01 -1.90 -0.06 0.00 0.05 0.00 0.00 34.50 32.58 3h7b s PRO 269 CO -0.06 -1.40 0.46 -0.51 0.05 0.00 0.00 177.00 175.54 3h7b s LEU 270 N -4.50 4.35 -0.26 -3.56 1.43 -0.68 -4.94 118.68 110.52 3h7b s LEU 270 Ca 0.75 0.92 0.01 0.00 -1.03 0.00 0.00 54.13 54.78 3h7b s LEU 270 Cb -0.29 -3.09 0.07 0.00 0.03 0.00 0.00 46.19 42.91 3h7b s LEU 270 CO 0.38 0.15 -0.04 -0.89 0.23 0.00 0.00 176.35 176.18 3h7b s THR 271 N -1.41 1.68 0.01 5.49 2.01 -1.26 -1.47 115.64 120.68 3h7b s THR 271 Ca 0.35 -1.43 0.03 0.00 0.31 0.00 0.00 61.69 60.94 3h7b s THR 271 Cb -0.14 -1.97 -0.04 0.00 0.01 0.00 0.00 72.50 70.36 3h7b s THR 271 CO 0.18 -0.19 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.13 3h7b s LEU 272 N 1.30 3.33 0.02 4.42 1.43 0.31 -4.94 118.68 124.55 3h7b s LEU 272 Ca -0.03 -0.10 0.01 0.00 -1.03 0.00 0.00 54.13 52.97 3h7b s LEU 272 Cb -0.19 -1.93 -0.01 0.00 0.03 0.00 0.00 46.19 44.09 3h7b s LEU 272 CO -0.07 0.27 -0.03 -0.60 0.23 0.00 0.00 176.35 176.14 3h7b s ARG 273 N -1.57 0.28 -0.32 1.70 3.52 -1.26 -0.32 118.95 120.98 3h7b s ARG 273 Ca 0.19 -0.42 -0.28 0.00 -0.13 0.00 0.00 55.73 55.08 3h7b s ARG 273 Cb -0.11 -0.06 0.01 0.00 -1.56 0.00 0.00 34.95 33.23 3h7b s ARG 273 CO 0.10 0.00 1.03 -0.46 -0.81 0.00 0.00 175.30 175.16 3h7b s TRP 274 N -0.89 3.16 0.00 5.12 -0.11 -1.26 -5.05 118.94 119.91 3h7b s TRP 274 Ca -0.08 1.14 0.00 0.00 1.22 0.00 0.00 56.10 58.38 3h7b s TRP 274 Cb -0.06 -3.62 0.00 0.00 -1.50 0.00 0.00 33.47 28.29 3h7b s TRP 274 CO -0.00 -0.74 0.00 -0.85 -4.62 0.00 0.00 176.95 170.74