#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1im3 s SER 2 N 0.00 6.57 0.24 1.61 1.04 -1.26 -3.69 113.70 118.20 1im3 s SER 2 Ca 0.00 1.19 0.03 0.00 0.48 0.00 0.00 55.95 57.65 1im3 s SER 2 Cb 0.00 -2.35 -0.05 0.00 0.10 0.00 0.00 66.02 63.72 1im3 s SER 2 CO 0.00 -0.39 0.01 -1.00 0.98 0.00 0.00 173.24 172.84 1im3 s HIS 3 N -2.34 1.58 0.05 5.02 3.76 0.13 -4.93 115.29 118.56 1im3 s HIS 3 Ca 0.52 -0.95 -0.11 0.00 -0.15 0.00 0.00 55.06 54.37 1im3 s HIS 3 Cb -0.10 -0.93 0.01 0.00 1.11 0.00 0.00 32.58 32.67 1im3 s HIS 3 CO 0.29 -0.07 0.23 -1.54 -0.85 0.00 0.00 174.74 172.81 1im3 s SER 4 N -3.32 -0.00 -0.04 1.40 1.04 -1.26 0.02 113.70 111.54 1im3 s SER 4 Ca 0.30 -0.37 0.03 0.00 0.48 0.00 0.00 55.95 56.39 1im3 s SER 4 Cb 0.06 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.50 1im3 s SER 4 CO 0.10 -0.61 -0.14 -0.32 0.98 0.00 0.00 173.24 173.24 1im3 s MET 5 N -2.84 1.49 -0.01 4.02 0.00 -0.23 -0.40 119.30 121.33 1im3 s MET 5 Ca -0.03 -0.49 -0.03 0.00 0.00 0.00 0.00 55.69 55.15 1im3 s MET 5 Cb 0.00 -1.31 -0.00 0.00 0.00 0.00 0.00 34.83 33.52 1im3 s MET 5 CO -0.05 0.18 0.05 1.03 0.00 0.00 0.00 175.02 176.23 1im3 s ARG 6 N 0.15 0.25 -0.06 4.11 1.81 0.21 -1.50 118.95 123.91 1im3 s ARG 6 Ca -0.04 -0.24 0.05 0.00 -1.72 0.00 0.00 55.73 53.77 1im3 s ARG 6 Cb -0.11 0.10 -0.02 0.00 -0.45 0.00 0.00 34.95 34.47 1im3 s ARG 6 CO 0.02 -0.05 -0.21 0.71 -0.68 0.00 0.00 175.30 175.09 1im3 s TYR 7 N -0.76 2.55 -0.11 -0.53 2.02 -0.47 0.09 117.35 120.14 1im3 s TYR 7 Ca -0.08 -0.55 0.03 0.00 -0.37 0.00 0.00 57.07 56.10 1im3 s TYR 7 Cb -0.05 -1.64 0.01 0.00 -0.40 0.00 0.00 41.96 39.88 1im3 s TYR 7 CO 0.00 -0.10 -0.19 -0.06 -1.57 0.00 0.00 175.55 173.63 1im3 s PHE 8 N -0.26 2.25 -0.07 2.71 0.08 0.68 -2.69 117.98 120.66 1im3 s PHE 8 Ca 0.00 -1.02 0.03 0.00 0.12 0.00 0.00 56.93 56.06 1im3 s PHE 8 Cb -0.13 -1.56 0.00 0.00 -0.57 0.00 0.00 43.02 40.77 1im3 s PHE 8 CO 0.03 -0.47 -0.18 -0.06 -0.10 0.00 0.00 175.22 174.43 1im3 s PHE 9 N 0.73 1.95 -0.09 0.36 0.08 -0.02 -1.09 117.98 119.90 1im3 s PHE 9 Ca -0.11 -0.72 0.01 0.00 0.12 0.00 0.00 56.93 56.23 1im3 s PHE 9 Cb -0.16 -1.34 0.02 0.00 -0.57 0.00 0.00 43.02 40.96 1im3 s PHE 9 CO 0.02 -0.31 -0.12 0.99 -0.10 0.00 0.00 175.22 175.70 1im3 s THR 10 N 0.39 1.24 -0.10 0.64 2.01 -0.56 -1.21 115.64 118.05 1im3 s THR 10 Ca -0.14 -0.49 0.02 0.00 0.31 0.00 0.00 61.69 61.38 1im3 s THR 10 Cb -0.16 -1.15 0.02 0.00 0.01 0.00 0.00 72.50 71.21 1im3 s THR 10 CO 0.05 0.39 -0.14 -0.55 -0.69 0.00 0.00 174.62 173.69 1im3 s SER 11 N 1.00 2.24 -0.18 3.53 0.15 -0.07 -0.94 113.70 119.44 1im3 s SER 11 Ca -0.08 -0.38 0.01 0.00 0.70 0.00 0.00 55.95 56.20 1im3 s SER 11 Cb -0.15 -0.99 0.02 0.00 -1.71 0.00 0.00 66.02 63.19 1im3 s SER 11 CO -0.01 0.00 -0.17 -0.69 1.20 0.00 0.00 173.24 173.57 1im3 s VAL 12 N 0.99 1.92 0.50 4.45 1.01 0.31 -0.89 120.40 128.69 1im3 s VAL 12 Ca -0.07 -0.92 -0.21 0.00 0.00 0.00 0.00 61.98 60.79 1im3 s VAL 12 Cb -0.15 -1.78 -0.07 0.00 0.00 0.00 0.00 36.38 34.38 1im3 s VAL 12 CO -0.01 0.46 1.12 -0.94 0.00 0.00 0.00 175.10 175.72 1im3 s SER 13 N 1.33 6.01 -0.43 3.32 1.04 -0.34 -0.87 113.70 123.76 1im3 s SER 13 Ca 0.04 2.15 0.08 0.00 0.48 0.00 0.00 55.95 58.70 1im3 s SER 13 Cb -0.14 -2.58 0.26 0.00 0.10 0.00 0.00 66.02 63.66 1im3 s SER 13 CO -0.12 -1.02 0.59 0.54 0.98 0.00 0.00 173.24 174.21 1im3 n ARG 14 N -0.97 1.09 -1.64 4.02 1.74 -1.26 -4.14 116.66 115.50 1im3 n ARG 14 Ca 0.10 -3.51 -0.63 0.00 -0.77 0.00 0.00 57.85 53.04 1im3 n ARG 14 Cb 0.50 -1.45 -0.09 0.00 -1.02 0.00 0.00 32.46 30.40 1im3 n ARG 14 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1im3 n PRO 15 N 1.17 0.12 -0.80 5.56 -0.02 -1.26 -0.37 135.00 139.38 1im3 n PRO 15 Ca 0.23 0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 1im3 n PRO 15 Cb 0.52 -1.56 0.00 0.00 -0.02 0.00 0.00 33.50 32.44 1im3 n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1im3 n GLY 16 N 2.98 0.56 0.95 -1.23 0.00 -1.26 -4.83 105.19 102.36 1im3 n GLY 16 Ca 0.26 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.29 1im3 n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1im3 n ARG 17 N -1.95 1.78 0.00 1.61 1.74 0.50 -5.10 116.66 115.24 1im3 n ARG 17 Ca 0.00 -3.34 0.00 0.00 -0.77 0.00 0.00 57.85 53.74 1im3 n ARG 17 Cb 0.02 -1.58 0.00 0.00 -1.02 0.00 0.00 32.46 29.87 1im3 n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1im3 n GLY 18 N -0.90 -2.35 3.70 -0.13 0.00 -1.25 -4.97 105.19 99.30 1im3 n GLY 18 Ca 0.22 -2.04 -0.34 0.00 0.00 0.00 0.00 46.02 43.85 1im3 n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1im3 s GLU 19 N -0.25 1.83 0.63 1.61 0.41 -1.26 -4.51 118.70 117.16 1im3 s GLU 19 Ca 0.00 1.84 -0.18 0.00 -0.41 0.00 0.00 54.97 56.21 1im3 s GLU 19 Cb 0.00 -1.79 -0.02 0.00 -1.78 0.00 0.00 34.13 30.54 1im3 s GLU 19 CO 0.00 -2.09 1.26 -2.14 -0.49 0.00 0.00 175.26 171.81 1im3 s PRO 20 N -3.96 2.71 -0.10 0.39 0.02 -1.26 -4.63 135.00 128.16 1im3 s PRO 20 Ca 0.75 1.98 -0.28 0.00 0.02 0.00 0.00 61.00 63.48 1im3 s PRO 20 Cb -0.31 -1.88 -0.02 0.00 0.02 0.00 0.00 34.50 32.32 1im3 s PRO 20 CO 0.48 -1.45 0.93 0.50 -0.33 0.00 0.00 177.00 177.12 1im3 s ARG 21 N -3.36 4.41 -0.13 5.54 6.06 -0.05 -4.84 118.95 126.58 1im3 s ARG 21 Ca 0.81 1.25 0.02 0.00 -2.50 0.00 0.00 55.73 55.31 1im3 s ARG 21 Cb -0.35 -3.53 0.01 0.00 0.06 0.00 0.00 34.95 31.14 1im3 s ARG 21 CO 0.37 -0.24 -0.20 0.12 -2.50 0.00 0.00 175.30 172.85 1im3 s PHE 22 N 1.78 2.50 -0.10 5.12 5.36 -1.26 -0.53 117.98 130.85 1im3 s PHE 22 Ca 0.45 -1.25 0.02 0.00 -0.96 0.00 0.00 56.93 55.19 1im3 s PHE 22 Cb -0.18 -1.72 0.01 0.00 -0.34 0.00 0.00 43.02 40.79 1im3 s PHE 22 CO 0.18 -0.58 -0.16 0.42 -1.46 0.00 0.00 175.22 173.62 1im3 s ILE 23 N 0.86 1.53 -0.03 3.12 -1.09 -0.11 -1.09 121.20 124.39 1im3 s ILE 23 Ca -0.07 -0.68 0.07 0.00 -2.23 0.00 0.00 60.65 57.74 1im3 s ILE 23 Cb -0.15 -1.38 -0.02 0.00 -1.58 0.00 0.00 42.46 39.33 1im3 s ILE 23 CO -0.02 0.45 -0.23 0.00 -1.23 0.00 0.00 174.94 173.91 1im3 s ALA 24 N 0.84 1.91 0.03 9.38 0.00 0.24 -1.50 121.76 132.65 1im3 s ALA 24 Ca -0.10 -0.97 0.01 0.00 0.00 0.00 0.00 51.96 50.90 1im3 s ALA 24 Cb -0.15 -0.52 -0.02 0.00 0.00 0.00 0.00 23.12 22.43 1im3 s ALA 24 CO 0.01 0.44 -0.05 0.14 0.00 0.00 0.00 175.76 176.30 1im3 s VAL 25 N -0.43 0.32 -0.04 0.00 -7.23 -0.25 -1.10 120.40 111.67 1im3 s VAL 25 Ca 0.06 -0.88 0.07 0.00 -1.81 0.00 0.00 61.98 59.41 1im3 s VAL 25 Cb -0.10 -0.41 -0.01 0.00 0.56 0.00 0.00 36.38 36.42 1im3 s VAL 25 CO 0.00 -0.37 -0.25 -0.83 -0.31 0.00 0.00 175.10 173.34 1im3 s GLY 26 N -1.33 1.25 0.05 2.32 0.00 -0.65 -0.23 107.32 108.74 1im3 s GLY 26 Ca -0.11 -1.04 0.06 0.00 0.00 0.00 0.00 44.72 43.63 1im3 s GLY 26 CO -0.00 -0.73 -0.17 -0.19 0.00 0.00 0.00 173.10 172.01 1im3 s TYR 27 N -0.32 1.47 -0.22 1.90 1.51 0.11 -0.05 117.35 121.76 1im3 s TYR 27 Ca 0.02 -0.38 0.01 0.00 -1.01 0.00 0.00 57.07 55.70 1im3 s TYR 27 Cb -0.12 -0.86 0.03 0.00 -0.11 0.00 0.00 41.96 40.91 1im3 s TYR 27 CO 0.02 0.08 -0.14 0.08 -1.11 0.00 0.00 175.55 174.47 1im3 s VAL 28 N -0.95 2.28 0.00 0.71 1.01 -0.45 -0.62 120.40 122.38 1im3 s VAL 28 Ca 0.03 -1.15 0.00 0.00 0.00 0.00 0.00 61.98 60.87 1im3 s VAL 28 Cb -0.09 -2.11 0.00 0.00 0.00 0.00 0.00 36.38 34.18 1im3 s VAL 28 CO 0.02 0.31 0.00 0.47 0.00 0.00 0.00 175.10 175.90 1im3 n ASP 29 N 4.58 0.00 -1.63 3.32 8.00 0.47 -1.23 116.55 130.06 1im3 n ASP 29 Ca -0.18 0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.41 1im3 n ASP 29 Cb 0.47 0.00 0.37 0.00 -0.02 0.00 0.00 41.12 41.94 1im3 n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1im3 n ASP 30 N 5.58 4.88 -4.28 -2.24 8.00 -1.26 -4.88 116.55 122.34 1im3 n ASP 30 Ca 0.00 -2.49 -0.35 0.00 0.71 0.00 0.00 54.79 52.66 1im3 n ASP 30 Cb 0.00 -0.59 -0.14 0.00 -0.02 0.00 0.00 41.12 40.37 1im3 n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1im3 s THR 31 N -1.93 3.21 0.27 -3.53 2.01 -0.37 -5.01 115.64 110.29 1im3 s THR 31 Ca 0.52 -0.56 -0.29 0.00 0.31 0.00 0.00 61.69 61.66 1im3 s THR 31 Cb 0.34 -2.46 -0.09 0.00 0.01 0.00 0.00 72.50 70.30 1im3 s THR 31 CO 0.24 0.43 1.12 -1.58 -0.69 0.00 0.00 174.62 174.14 1im3 s GLN 32 N 1.45 4.60 0.00 4.92 0.74 -1.26 -1.35 119.66 128.77 1im3 s GLN 32 Ca 0.05 1.83 0.00 0.00 0.05 0.00 0.00 55.36 57.30 1im3 s GLN 32 Cb -0.14 -3.19 0.00 0.00 1.10 0.00 0.00 33.01 30.78 1im3 s GLN 32 CO -0.04 0.14 0.00 1.97 -0.55 0.00 0.00 175.29 176.81 1im3 n PHE 33 N 1.39 0.00 -3.88 1.67 -1.74 0.93 -4.01 117.46 111.81 1im3 n PHE 33 Ca -0.00 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.79 1im3 n PHE 33 Cb 0.45 0.00 -0.07 0.00 1.52 0.00 0.00 39.48 41.38 1im3 n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 1im3 s VAL 34 N -0.91 0.09 0.08 1.97 -7.23 -1.21 -0.83 120.40 112.36 1im3 s VAL 34 Ca 0.00 -1.21 -0.26 0.00 -1.81 0.00 0.00 61.98 58.70 1im3 s VAL 34 Cb 0.00 -1.60 0.08 0.00 0.56 0.00 0.00 36.38 35.42 1im3 s VAL 34 CO 0.00 -0.41 0.70 0.00 -0.31 0.00 0.00 175.10 175.08 1im3 s ARG 35 N -3.91 1.11 -0.06 4.82 1.04 -0.61 -1.63 118.95 119.71 1im3 s ARG 35 Ca 0.11 -0.31 -0.04 0.00 -1.04 0.00 0.00 55.73 54.45 1im3 s ARG 35 Cb 0.03 0.52 0.03 0.00 -2.04 0.00 0.00 34.95 33.49 1im3 s ARG 35 CO -0.05 -0.47 0.15 0.12 -0.04 0.00 0.00 175.30 175.01 1im3 s PHE 36 N -3.18 -0.16 -0.18 5.89 5.36 -0.26 -0.56 117.98 124.89 1im3 s PHE 36 Ca 0.00 0.45 -0.01 0.00 -0.96 0.00 0.00 56.93 56.42 1im3 s PHE 36 Cb -0.01 -0.03 0.05 0.00 -0.34 0.00 0.00 43.02 42.69 1im3 s PHE 36 CO -0.09 -0.13 -0.04 0.34 -1.46 0.00 0.00 175.22 173.84 1im3 s ASP 37 N 0.78 3.02 0.61 6.13 -1.08 -1.26 -0.59 116.67 124.28 1im3 s ASP 37 Ca -0.06 -0.78 0.30 0.00 -0.52 0.00 0.00 52.55 51.50 1im3 s ASP 37 Cb -0.08 -0.92 1.67 0.00 -1.46 0.00 0.00 42.92 42.14 1im3 s ASP 37 CO -0.04 -0.21 2.04 0.77 0.52 0.00 0.00 175.17 178.25 1im3 h SER 38 N 8.10 0.00 0.38 -0.34 4.64 -1.50 -0.88 113.55 123.96 1im3 h SER 38 Ca -0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 1im3 h SER 38 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1im3 h SER 38 CO 0.39 0.00 -0.72 0.47 -0.87 0.00 0.00 176.83 176.10 1im3 n ASP 39 N -3.55 0.65 -4.83 4.97 9.92 -1.26 -4.94 116.55 117.50 1im3 n ASP 39 Ca 0.02 -0.41 -0.31 0.00 -0.53 0.00 0.00 54.79 53.57 1im3 n ASP 39 Cb 0.39 0.53 0.04 0.00 -0.64 0.00 0.00 41.12 41.44 1im3 n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1im3 s ALA 40 N -3.04 2.79 0.17 2.24 0.00 -0.34 -4.98 121.76 118.60 1im3 s ALA 40 Ca 0.09 0.03 -0.03 0.00 0.00 0.00 0.00 51.96 52.05 1im3 s ALA 40 Cb 0.16 -3.15 0.05 0.00 0.00 0.00 0.00 23.12 20.19 1im3 s ALA 40 CO 0.76 -1.08 1.44 0.00 0.00 0.00 0.00 175.76 176.87 1im3 h ALA 41 N -0.62 0.59 -0.84 0.00 0.00 -1.92 -3.32 119.26 113.15 1im3 h ALA 41 Ca -0.44 -0.59 0.08 0.00 0.00 0.00 0.00 54.91 53.97 1im3 h ALA 41 Cb 1.21 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.87 1im3 h ALA 41 CO 0.58 0.74 0.50 0.66 0.00 0.00 0.00 179.25 181.73 1im3 h SER 42 N 0.33 0.75 -3.84 0.00 4.64 -1.93 -3.45 113.55 110.04 1im3 h SER 42 Ca -0.03 0.04 -0.39 0.00 -0.47 0.00 0.00 61.79 60.94 1im3 h SER 42 Cb 1.27 -0.12 0.04 0.00 -0.31 0.00 0.00 62.40 63.28 1im3 h SER 42 CO 0.12 0.45 -0.56 0.00 -0.87 0.00 0.00 176.83 175.98 1im3 n GLN 43 N -4.69 -3.78 -4.13 4.77 1.13 -1.25 -4.99 117.38 104.44 1im3 n GLN 43 Ca 0.13 0.90 -0.11 0.00 -1.94 0.00 0.00 57.00 55.97 1im3 n GLN 43 Cb 0.24 -5.61 -0.11 0.00 0.11 0.00 0.00 30.24 24.87 1im3 n GLN 43 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1im3 s ARG 44 N -5.45 0.71 0.14 -1.09 0.52 -1.26 -5.04 118.95 107.48 1im3 s ARG 44 Ca 0.21 -1.11 -0.31 0.00 -0.52 0.00 0.00 55.73 54.00 1im3 s ARG 44 Cb -0.09 -0.23 -0.08 0.00 0.52 0.00 0.00 34.95 35.07 1im3 s ARG 44 CO 0.25 0.01 1.29 1.41 0.02 0.00 0.00 175.30 178.28 1im3 s MET 45 N -2.98 4.39 0.13 3.54 -2.45 -1.26 -4.68 119.30 115.99 1im3 s MET 45 Ca 0.03 1.97 0.10 0.00 -1.25 0.00 0.00 55.69 56.55 1im3 s MET 45 Cb -0.00 -3.25 -0.04 0.00 1.25 0.00 0.00 34.83 32.78 1im3 s MET 45 CO -0.03 -0.29 -0.23 -1.21 1.05 0.00 0.00 175.02 174.32 1im3 s GLU 46 N 0.52 1.57 0.36 4.11 2.02 0.28 -4.91 118.70 122.65 1im3 s GLU 46 Ca 0.59 -1.31 -0.26 0.00 0.02 0.00 0.00 54.97 54.02 1im3 s GLU 46 Cb -0.34 -1.98 -0.09 0.00 0.10 0.00 0.00 34.13 31.81 1im3 s GLU 46 CO 0.33 0.45 1.04 -1.25 0.02 0.00 0.00 175.26 175.86 1im3 s PRO 47 N -2.19 4.34 0.00 0.39 0.04 -1.26 -1.57 135.00 134.74 1im3 s PRO 47 Ca 0.17 1.55 0.00 0.00 0.04 0.00 0.00 61.00 62.75 1im3 s PRO 47 Cb -0.10 -2.73 0.00 0.00 0.04 0.00 0.00 34.50 31.71 1im3 s PRO 47 CO 0.08 0.01 0.29 0.54 0.04 0.00 0.00 177.00 177.96 1im3 n ARG 48 N 0.32 0.02 -3.98 4.56 5.12 -0.01 -4.88 116.66 117.81 1im3 n ARG 48 Ca 0.03 -0.34 -0.14 0.00 -1.93 0.00 0.00 57.85 55.48 1im3 n ARG 48 Cb 0.49 -0.66 -0.14 0.00 -1.16 0.00 0.00 32.46 30.98 1im3 n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1im3 s ALA 49 N -0.09 0.18 0.24 7.54 0.00 -1.24 -4.69 121.76 123.71 1im3 s ALA 49 Ca 0.00 -0.08 -0.05 0.00 0.00 0.00 0.00 51.96 51.84 1im3 s ALA 49 Cb 0.00 -0.06 0.39 0.00 0.00 0.00 0.00 23.12 23.45 1im3 s ALA 49 CO 0.00 0.04 1.80 -1.35 0.00 0.00 0.00 175.76 176.25 1im3 h PRO 50 N 6.16 0.71 0.00 0.00 0.11 -1.94 -2.64 132.00 134.40 1im3 h PRO 50 Ca -0.27 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1im3 h PRO 50 Cb 1.20 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1im3 h PRO 50 CO 0.51 0.47 0.00 0.11 -0.21 0.00 0.00 178.00 178.87 1im3 h TRP 51 N 0.73 0.00 0.00 0.65 5.08 -1.97 -2.15 115.95 118.29 1im3 h TRP 51 Ca 0.39 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.36 1im3 h TRP 51 Cb 0.39 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.55 1im3 h TRP 51 CO -0.07 0.00 -0.64 0.97 -1.28 0.00 0.00 178.44 177.41 1im3 h ILE 52 N 0.00 0.00 0.00 0.12 6.09 -1.81 -3.30 117.51 118.61 1im3 h ILE 52 Ca 0.00 -0.59 0.00 0.00 -1.37 0.00 0.00 64.86 62.90 1im3 h ILE 52 Cb 0.20 1.19 0.00 0.00 0.47 0.00 0.00 36.82 38.67 1im3 h ILE 52 CO 0.00 0.00 0.00 -0.33 -3.07 0.00 0.00 178.15 174.75 1im3 h GLU 53 N 0.00 0.00 0.00 2.19 5.08 -1.45 -2.27 114.58 118.13 1im3 h GLU 53 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1im3 h GLU 53 Cb 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1im3 h GLU 53 CO 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.01 1im3 n GLN 54 N -2.34 0.97 -2.77 2.33 10.64 -1.24 -4.79 117.38 120.18 1im3 n GLN 54 Ca 0.01 0.00 -0.40 0.00 -1.83 0.00 0.00 57.00 54.78 1im3 n GLN 54 Cb 0.21 -1.42 -0.06 0.00 -0.86 0.00 0.00 30.24 28.11 1im3 n GLN 54 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 1im3 s GLU 55 N -2.00 4.81 1.12 2.61 0.41 -0.86 -5.04 118.70 119.75 1im3 s GLU 55 Ca 0.39 1.45 -0.18 0.00 -0.41 0.00 0.00 54.97 56.23 1im3 s GLU 55 Cb 0.18 -3.29 0.25 0.00 -1.78 0.00 0.00 34.13 29.49 1im3 s GLU 55 CO 0.30 0.49 1.17 0.20 -0.49 0.00 0.00 175.26 176.93 1im3 s GLY 56 N -1.03 1.63 0.39 -1.39 0.00 -1.26 -4.85 107.32 100.81 1im3 s GLY 56 Ca 0.41 -0.98 0.08 0.00 0.00 0.00 0.00 44.72 44.24 1im3 s GLY 56 CO 0.31 -0.15 1.96 -2.55 0.00 0.00 0.00 173.10 172.68 1im3 h PRO 57 N -2.26 0.62 -0.25 2.90 0.11 -1.98 -1.81 132.00 129.32 1im3 h PRO 57 Ca -0.45 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 65.52 1im3 h PRO 57 Cb 1.28 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1im3 h PRO 57 CO 0.37 0.41 -0.26 0.93 -0.21 0.00 0.00 178.00 179.24 1im3 h GLU 58 N 0.64 0.48 0.15 1.05 3.07 -1.99 -1.17 114.58 116.80 1im3 h GLU 58 Ca 0.30 -0.18 -0.01 0.00 -0.50 0.00 0.00 59.36 58.97 1im3 h GLU 58 Cb 0.35 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.24 1im3 h GLU 58 CO -0.10 0.70 -0.07 -0.92 -1.40 0.00 0.00 179.01 177.22 1im3 h TYR 59 N 0.42 -0.19 -0.51 4.33 3.20 -1.68 -0.93 116.97 121.61 1im3 h TYR 59 Ca 0.06 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.85 1im3 h TYR 59 Cb 0.68 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.99 1im3 h TYR 59 CO 0.02 -0.11 0.02 -1.49 -1.64 0.00 0.00 178.16 174.96 1im3 h TRP 60 N -0.22 0.91 -0.46 -3.82 4.06 -1.37 0.54 115.95 115.60 1im3 h TRP 60 Ca -0.02 -0.13 -0.14 0.00 2.06 0.00 0.00 58.89 60.66 1im3 h TRP 60 Cb 0.17 -0.25 -0.01 0.00 -1.00 0.00 0.00 29.16 28.07 1im3 h TRP 60 CO -0.06 0.82 -0.25 -0.44 -3.56 0.00 0.00 178.44 174.95 1im3 h ASP 61 N 0.80 1.00 -0.11 -3.49 3.32 -1.14 -0.65 116.42 116.14 1im3 h ASP 61 Ca 0.15 -0.39 -0.02 0.00 0.02 0.00 0.00 57.03 56.79 1im3 h ASP 61 Cb 0.46 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.73 1im3 h ASP 61 CO 0.02 1.18 -0.00 1.23 -1.72 0.00 0.00 179.24 179.95 1im3 h GLY 62 N 0.87 0.21 1.26 2.75 0.00 -0.71 -1.64 103.07 105.81 1im3 h GLY 62 Ca 0.10 -0.16 -0.05 0.00 0.00 0.00 0.00 47.33 47.22 1im3 h GLY 62 CO 0.07 0.15 0.17 0.83 0.00 0.00 0.00 176.54 177.76 1im3 h GLU 63 N -0.08 0.92 -0.30 4.80 4.39 -0.86 0.03 114.58 123.48 1im3 h GLU 63 Ca 0.03 -0.19 -0.01 0.00 0.34 0.00 0.00 59.36 59.54 1im3 h GLU 63 Cb 0.36 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 1im3 h GLU 63 CO 0.01 0.81 0.16 1.15 -1.16 0.00 0.00 179.01 179.97 1im3 h THR 64 N 0.89 1.14 -0.22 1.13 2.02 -1.08 0.30 112.91 117.09 1im3 h THR 64 Ca 0.20 -0.38 -0.01 0.00 0.77 0.00 0.00 66.41 66.98 1im3 h THR 64 Cb 0.29 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 1im3 h THR 64 CO -0.00 0.14 0.09 -0.09 0.37 0.00 0.00 175.52 176.02 1im3 h ARG 65 N 0.36 0.33 -0.57 6.66 2.43 -0.92 -1.29 114.38 121.38 1im3 h ARG 65 Ca 0.11 -0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 59.14 1im3 h ARG 65 Cb 0.09 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 1im3 h ARG 65 CO -0.02 0.39 0.08 0.87 -1.51 0.00 0.00 179.97 179.78 1im3 h LYS 66 N 0.20 0.95 -0.49 0.20 1.57 -0.76 -1.45 116.57 116.80 1im3 h LYS 66 Ca 0.07 -0.26 -0.11 0.00 -1.87 0.00 0.00 60.65 58.48 1im3 h LYS 66 Cb 0.18 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 1im3 h LYS 66 CO -0.01 0.92 -0.12 -0.24 -0.57 0.00 0.00 179.45 179.43 1im3 h VAL 67 N 0.85 1.26 -0.65 0.50 3.04 -0.29 -0.20 116.25 120.76 1im3 h VAL 67 Ca 0.17 -1.24 -0.03 0.00 -1.01 0.00 0.00 66.70 64.59 1im3 h VAL 67 Cb 0.43 1.01 -0.03 0.00 -2.01 0.00 0.00 31.29 30.69 1im3 h VAL 67 CO 0.01 0.43 0.29 0.11 -1.01 0.00 0.00 177.57 177.41 1im3 h LYS 68 N 0.82 0.93 -0.60 4.17 1.57 -1.12 0.24 116.57 122.58 1im3 h LYS 68 Ca 0.13 -0.13 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 1im3 h LYS 68 Cb 0.65 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 1im3 h LYS 68 CO 0.05 0.73 0.03 0.00 -0.57 0.00 0.00 179.45 179.69 1im3 h ALA 69 N 1.40 0.92 -0.80 3.86 0.00 -0.31 -1.12 119.26 123.21 1im3 h ALA 69 Ca 0.22 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1im3 h ALA 69 Cb 0.13 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 1im3 h ALA 69 CO -0.03 0.65 0.44 0.45 0.00 0.00 0.00 179.25 180.76 1im3 h HIS 70 N 0.94 1.09 -0.60 0.00 3.86 -0.14 -1.20 115.15 119.09 1im3 h HIS 70 Ca 0.18 -0.02 0.03 0.00 -1.16 0.00 0.00 60.37 59.40 1im3 h HIS 70 Cb 0.50 -0.35 -0.04 0.00 1.06 0.00 0.00 27.41 28.58 1im3 h HIS 70 CO 0.03 0.76 0.36 1.03 0.86 0.00 0.00 177.93 180.97 1im3 h SER 71 N 1.12 0.57 0.03 2.45 0.87 -0.33 -2.06 113.55 116.20 1im3 h SER 71 Ca 0.28 0.01 -0.19 0.00 -1.23 0.00 0.00 61.79 60.66 1im3 h SER 71 Cb 0.03 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 61.88 1im3 h SER 71 CO -0.05 0.40 -0.69 1.56 -0.53 0.00 0.00 176.83 177.52 1im3 h GLN 72 N 0.70 0.61 -0.28 2.24 1.08 -0.58 -2.12 115.11 116.77 1im3 h GLN 72 Ca 0.25 -0.46 -0.08 0.00 -1.45 0.00 0.00 58.65 56.91 1im3 h GLN 72 Cb 0.06 0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.55 1im3 h GLN 72 CO -0.12 1.08 -0.16 1.79 -0.95 0.00 0.00 178.83 180.47 1im3 h THR 73 N 0.43 1.24 -0.11 -0.54 1.35 -1.05 -2.15 112.91 112.08 1im3 h THR 73 Ca -0.02 -1.08 -0.11 0.00 -0.55 0.00 0.00 66.41 64.65 1im3 h THR 73 Cb 1.28 1.20 -0.01 0.00 -1.73 0.00 0.00 68.15 68.89 1im3 h THR 73 CO 0.13 0.35 -0.42 0.45 -0.25 0.00 0.00 175.52 175.79 1im3 h HIS 74 N 0.44 0.28 -0.71 4.73 3.86 -1.25 0.91 115.15 123.41 1im3 h HIS 74 Ca 0.08 -0.08 -0.03 0.00 -1.16 0.00 0.00 60.37 59.18 1im3 h HIS 74 Cb 0.54 -0.06 -0.03 0.00 1.06 0.00 0.00 27.41 28.91 1im3 h HIS 74 CO 0.02 0.62 0.33 -0.09 0.86 0.00 0.00 177.93 179.67 1im3 h ARG 75 N 0.20 1.03 -0.34 2.45 2.43 -0.81 -1.41 114.38 117.94 1im3 h ARG 75 Ca 0.02 -0.16 -0.10 0.00 -0.81 0.00 0.00 59.98 58.93 1im3 h ARG 75 Cb 0.82 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.18 1im3 h ARG 75 CO 0.06 0.82 -0.19 0.28 -1.51 0.00 0.00 179.97 179.43 1im3 h VAL 76 N 1.00 1.29 -0.67 0.20 2.07 -0.95 -3.19 116.25 115.99 1im3 h VAL 76 Ca 0.24 -1.32 0.11 0.00 0.82 0.00 0.00 66.70 66.55 1im3 h VAL 76 Cb 0.13 1.42 -0.08 0.00 -1.52 0.00 0.00 31.29 31.24 1im3 h VAL 76 CO -0.03 0.43 0.27 0.44 0.02 0.00 0.00 177.57 178.70 1im3 h ASP 77 N 0.50 0.27 -0.85 0.57 3.32 -0.28 -0.73 116.42 119.21 1im3 h ASP 77 Ca 0.07 0.09 0.10 0.00 0.02 0.00 0.00 57.03 57.30 1im3 h ASP 77 Cb 0.74 0.06 -0.07 0.00 0.22 0.00 0.00 39.33 40.28 1im3 h ASP 77 CO 0.06 0.14 0.49 -0.07 -1.72 0.00 0.00 179.24 178.14 1im3 h LEU 78 N 0.44 0.71 -0.35 1.55 3.38 -1.26 0.43 115.31 120.21 1im3 h LEU 78 Ca 0.35 0.05 -0.10 0.00 0.09 0.00 0.00 57.88 58.26 1im3 h LEU 78 Cb 0.46 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1im3 h LEU 78 CO -0.34 0.41 -0.18 1.23 0.09 0.00 0.00 178.44 179.64 1im3 h GLY 79 N 0.83 0.82 0.97 0.83 0.00 -1.34 -0.89 103.07 104.29 1im3 h GLY 79 Ca 0.41 -0.74 -0.02 0.00 0.00 0.00 0.00 47.33 46.98 1im3 h GLY 79 CO -0.25 0.67 0.24 -0.84 0.00 0.00 0.00 176.54 176.37 1im3 h THR 80 N 0.54 1.19 -0.44 4.70 2.02 -0.04 -2.40 112.91 118.48 1im3 h THR 80 Ca 0.08 -0.55 -0.13 0.00 0.77 0.00 0.00 66.41 66.59 1im3 h THR 80 Cb 0.73 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 1im3 h THR 80 CO 0.05 0.22 -0.23 -0.07 0.37 0.00 0.00 175.52 175.86 1im3 h LEU 81 N 0.67 0.92 -1.29 2.58 3.38 -0.13 -0.42 115.31 121.02 1im3 h LEU 81 Ca 0.17 -0.34 0.06 0.00 0.09 0.00 0.00 57.88 57.86 1im3 h LEU 81 Cb 0.12 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.56 1im3 h LEU 81 CO -0.02 1.10 0.52 -0.09 0.09 0.00 0.00 178.44 180.04 1im3 h ARG 82 N 0.77 0.84 0.04 1.13 2.43 -1.02 -1.35 114.38 117.22 1im3 h ARG 82 Ca 0.10 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1im3 h ARG 82 Cb 0.78 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 1im3 h ARG 82 CO 0.06 0.55 -0.02 0.78 -1.51 0.00 0.00 179.97 179.84 1im3 h GLY 83 N 0.86 -0.05 1.00 2.80 0.00 -0.88 0.88 103.07 107.69 1im3 h GLY 83 Ca 0.34 0.02 0.13 0.00 0.00 0.00 0.00 47.33 47.82 1im3 h GLY 83 CO -0.12 -0.02 0.38 -0.97 0.00 0.00 0.00 176.54 175.81 1im3 h TYR 84 N -0.58 0.21 -0.60 5.60 0.05 -0.60 -0.63 116.97 120.43 1im3 h TYR 84 Ca -0.01 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1im3 h TYR 84 Cb 0.52 -0.07 0.00 0.00 1.01 0.00 0.00 36.73 38.20 1im3 h TYR 84 CO 0.10 0.09 0.00 0.66 -1.05 0.00 0.00 178.16 177.96 1im3 n TYR 85 N -4.43 1.17 -4.12 4.88 4.01 -0.55 -4.90 117.16 113.20 1im3 n TYR 85 Ca 0.10 -0.59 -0.30 0.00 -0.16 0.00 0.00 57.90 56.95 1im3 n TYR 85 Cb 0.49 -0.16 -0.05 0.00 -0.31 0.00 0.00 39.34 39.31 1im3 n TYR 85 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1im3 n ASN 86 N 1.04 -0.32 -4.96 7.72 3.02 -0.24 -4.94 115.26 116.57 1im3 n ASN 86 Ca 0.23 -1.16 -0.23 0.00 -0.03 0.00 0.00 54.58 53.39 1im3 n ASN 86 Cb 0.76 -2.27 -0.02 0.00 -0.61 0.00 0.00 39.78 37.63 1im3 n ASN 86 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1im3 s GLN 87 N -6.99 3.44 0.71 3.52 -0.21 0.25 -5.03 119.66 115.35 1im3 s GLN 87 Ca 0.07 -0.69 -0.16 0.00 0.02 0.00 0.00 55.36 54.60 1im3 s GLN 87 Cb -0.03 -2.91 0.03 0.00 1.00 0.00 0.00 33.01 31.09 1im3 s GLN 87 CO 0.95 0.46 1.25 0.45 -2.12 0.00 0.00 175.29 176.28 1im3 s SER 88 N -3.70 4.20 0.00 5.90 0.15 -1.26 -4.78 113.70 114.21 1im3 s SER 88 Ca 0.34 2.50 0.29 0.00 0.70 0.00 0.00 55.95 59.79 1im3 s SER 88 Cb -0.10 -2.60 1.60 0.00 -1.71 0.00 0.00 66.02 63.21 1im3 s SER 88 CO 0.29 -2.27 2.05 1.21 1.20 0.00 0.00 173.24 175.72 1im3 n GLU 89 N -2.49 1.18 -0.05 5.44 4.07 -1.26 -3.84 120.64 123.69 1im3 n GLU 89 Ca 0.15 -0.26 0.00 0.00 -0.06 0.00 0.00 57.16 56.99 1im3 n GLU 89 Cb 0.49 -1.47 -0.15 0.00 -0.06 0.00 0.00 31.44 30.25 1im3 n GLU 89 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1im3 n ALA 90 N -0.66 2.12 -1.73 4.31 0.00 -1.26 -4.86 120.51 118.43 1im3 n ALA 90 Ca 0.22 -0.84 -0.31 0.00 0.00 0.00 0.00 53.44 52.50 1im3 n ALA 90 Cb 0.17 -0.39 0.02 0.00 0.00 0.00 0.00 19.45 19.24 1im3 n ALA 90 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1im3 s GLY 91 N -4.75 1.80 -0.14 0.00 0.00 -1.25 -4.62 107.32 98.36 1im3 s GLY 91 Ca -0.08 0.09 -0.21 0.00 0.00 0.00 0.00 44.72 44.52 1im3 s GLY 91 CO 0.77 0.38 0.60 -0.45 0.00 0.00 0.00 173.10 174.40 1im3 s SER 92 N -3.66 6.77 0.19 1.64 0.15 -1.26 -4.65 113.70 112.88 1im3 s SER 92 Ca 0.58 0.92 0.08 0.00 0.70 0.00 0.00 55.95 58.23 1im3 s SER 92 Cb -0.13 -2.35 -0.05 0.00 -1.71 0.00 0.00 66.02 61.79 1im3 s SER 92 CO 0.48 -0.15 -0.15 -1.00 1.20 0.00 0.00 173.24 173.62 1im3 s HIS 93 N 1.22 1.69 -0.13 3.44 3.76 -1.26 -4.94 115.29 119.08 1im3 s HIS 93 Ca 0.30 -0.56 0.02 0.00 -0.15 0.00 0.00 55.06 54.67 1im3 s HIS 93 Cb -0.16 -0.80 0.01 0.00 1.11 0.00 0.00 32.58 32.74 1im3 s HIS 93 CO 0.12 0.33 -0.19 0.99 -0.85 0.00 0.00 174.74 175.15 1im3 s THR 94 N -2.80 1.79 -0.12 1.30 2.01 -1.26 -1.20 115.64 115.37 1im3 s THR 94 Ca 0.20 -0.82 -0.01 0.00 0.31 0.00 0.00 61.69 61.38 1im3 s THR 94 Cb -0.02 -1.61 -0.02 0.00 0.01 0.00 0.00 72.50 70.87 1im3 s THR 94 CO 0.06 0.50 -0.10 0.54 -0.69 0.00 0.00 174.62 174.94 1im3 s VAL 95 N 0.92 3.40 0.09 3.82 0.11 -0.07 -0.58 120.40 128.08 1im3 s VAL 95 Ca -0.06 -0.55 0.08 0.00 -2.93 0.00 0.00 61.98 58.51 1im3 s VAL 95 Cb -0.15 -2.43 -0.03 0.00 -1.53 0.00 0.00 36.38 32.24 1im3 s VAL 95 CO -0.02 0.54 -0.21 -1.10 -3.33 0.00 0.00 175.10 170.98 1im3 s GLN 96 N 0.03 1.18 -0.03 1.54 -0.21 -0.27 -0.89 119.66 121.01 1im3 s GLN 96 Ca -0.03 -1.11 -0.05 0.00 0.02 0.00 0.00 55.36 54.19 1im3 s GLN 96 Cb -0.14 -1.41 0.01 0.00 1.00 0.00 0.00 33.01 32.46 1im3 s GLN 96 CO 0.04 0.34 0.12 0.50 -2.12 0.00 0.00 175.29 174.16 1im3 s ARG 97 N -1.74 0.25 -0.04 2.91 3.52 -0.35 -0.92 118.95 122.58 1im3 s ARG 97 Ca 0.07 -0.03 -0.04 0.00 -0.13 0.00 0.00 55.73 55.59 1im3 s ARG 97 Cb -0.10 0.11 0.01 0.00 -1.56 0.00 0.00 34.95 33.42 1im3 s ARG 97 CO 0.04 -0.05 0.12 1.41 -0.81 0.00 0.00 175.30 176.01 1im3 s MET 98 N -0.44 0.16 0.12 5.12 1.75 -0.12 -0.84 119.30 125.04 1im3 s MET 98 Ca -0.05 0.15 -0.17 0.00 -1.25 0.00 0.00 55.69 54.36 1im3 s MET 98 Cb -0.03 0.08 0.04 0.00 2.84 0.00 0.00 34.83 37.75 1im3 s MET 98 CO 0.00 -0.02 0.43 1.52 -0.65 0.00 0.00 175.02 176.30 1im3 s TYR 99 N 0.01 -0.25 -5.00 4.11 -0.85 -1.10 -0.83 117.35 113.43 1im3 s TYR 99 Ca -0.01 -0.00 0.00 0.00 -0.52 0.00 0.00 57.07 56.54 1im3 s TYR 99 Cb -0.01 0.29 0.00 0.00 0.38 0.00 0.00 41.96 42.61 1im3 s TYR 99 CO 0.00 -0.70 0.00 0.41 -1.52 0.00 0.00 175.55 173.74 1im3 n GLY 100 N -0.12 -2.17 3.19 5.49 0.00 -0.82 -1.37 105.19 109.38 1im3 n GLY 100 Ca -0.17 -1.28 -0.11 0.00 0.00 0.00 0.00 46.02 44.46 1im3 n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1im3 s ASP 102 N -3.08 2.52 0.13 0.00 1.01 0.24 -1.07 116.67 116.42 1im3 s ASP 102 Ca 0.16 -0.43 0.08 0.00 0.71 0.00 0.00 52.55 53.08 1im3 s ASP 102 Cb 0.06 -0.26 -0.04 0.00 1.01 0.00 0.00 42.92 43.69 1im3 s ASP 102 CO -0.02 0.24 -0.19 0.68 0.21 0.00 0.00 175.17 176.09 1im3 s VAL 103 N -0.58 1.75 0.85 -1.27 -7.23 0.10 0.03 120.40 114.05 1im3 s VAL 103 Ca 0.08 -1.72 -0.08 0.00 -1.81 0.00 0.00 61.98 58.45 1im3 s VAL 103 Cb -0.08 -1.68 0.17 0.00 0.56 0.00 0.00 36.38 35.35 1im3 s VAL 103 CO -0.00 -0.19 1.17 -0.83 -0.31 0.00 0.00 175.10 174.94 1im3 s GLY 104 N -2.27 1.78 0.65 2.32 0.00 -0.90 -0.70 107.32 108.21 1im3 s GLY 104 Ca 0.11 -1.55 0.35 0.00 0.00 0.00 0.00 44.72 43.63 1im3 s GLY 104 CO 0.05 -0.85 2.13 1.48 0.00 0.00 0.00 173.10 175.91 1im3 h SER 105 N -1.12 0.00 -0.04 1.64 4.64 -1.92 0.75 113.55 117.50 1im3 h SER 105 Ca -0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 1im3 h SER 105 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1im3 h SER 105 CO 0.37 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.43 1im3 n ASP 106 N -3.18 0.75 -1.08 4.97 5.75 -1.26 -4.90 116.55 117.60 1im3 n ASP 106 Ca -0.01 -1.37 -0.14 0.00 -0.01 0.00 0.00 54.79 53.25 1im3 n ASP 106 Cb 0.26 -0.02 -0.06 0.00 -1.03 0.00 0.00 41.12 40.27 1im3 n ASP 106 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1im3 n TRP 107 N -0.36 0.00 -3.78 2.11 7.02 0.26 -5.01 117.44 117.68 1im3 n TRP 107 Ca 0.19 0.00 -0.33 0.00 -1.02 0.00 0.00 57.50 56.34 1im3 n TRP 107 Cb 0.21 -2.52 -0.05 0.00 -2.42 0.00 0.00 31.31 26.53 1im3 n TRP 107 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 1im3 s ARG 108 N -3.19 3.55 -0.02 -0.99 0.52 -1.26 -4.81 118.95 112.76 1im3 s ARG 108 Ca 0.00 -0.17 -0.38 0.00 -0.52 0.00 0.00 55.73 54.66 1im3 s ARG 108 Cb 0.00 -3.01 -0.17 0.00 0.52 0.00 0.00 34.95 32.30 1im3 s ARG 108 CO 0.00 0.59 1.44 0.34 0.02 0.00 0.00 175.30 177.69 1im3 n PHE 109 N 0.65 1.62 -0.05 -0.53 -0.00 -1.26 -2.11 117.46 115.77 1im3 n PHE 109 Ca -0.07 0.63 -0.09 0.00 -0.00 0.00 0.00 57.45 57.92 1im3 n PHE 109 Cb 0.52 -2.35 -0.05 0.00 -0.00 0.00 0.00 39.48 37.60 1im3 n PHE 109 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.76 176.65 1im3 n LEU 110 N 3.22 2.42 -3.51 -2.13 7.94 0.10 -4.82 117.00 120.22 1im3 n LEU 110 Ca 0.21 -0.01 -0.12 0.00 -1.11 0.00 0.00 56.01 54.98 1im3 n LEU 110 Cb 0.17 -0.37 -0.04 0.00 0.53 0.00 0.00 43.42 43.71 1im3 n LEU 110 CO 0.67 0.57 0.61 -0.60 -1.11 0.00 0.00 177.39 177.53 1im3 s ARG 111 N -2.21 0.88 0.17 1.96 3.52 -1.10 -4.98 118.95 117.19 1im3 s ARG 111 Ca -0.15 -0.09 0.06 0.00 -0.13 0.00 0.00 55.73 55.42 1im3 s ARG 111 Cb 0.04 0.41 -0.04 0.00 -1.56 0.00 0.00 34.95 33.80 1im3 s ARG 111 CO 0.24 -0.34 -0.12 0.20 -0.81 0.00 0.00 175.30 174.47 1im3 s GLY 112 N -1.87 1.21 0.02 8.12 0.00 -1.26 -0.59 107.32 112.94 1im3 s GLY 112 Ca -0.01 -1.54 -0.06 0.00 0.00 0.00 0.00 44.72 43.11 1im3 s GLY 112 CO -0.03 -1.64 0.10 -0.19 0.00 0.00 0.00 173.10 171.35 1im3 s TYR 113 N -3.07 0.12 -0.30 1.90 1.51 -0.01 -4.84 117.35 112.66 1im3 s TYR 113 Ca 0.18 -0.30 -0.01 0.00 -1.01 0.00 0.00 57.07 55.93 1im3 s TYR 113 Cb 0.01 -0.10 0.19 0.00 -0.11 0.00 0.00 41.96 41.95 1im3 s TYR 113 CO 0.03 -0.29 0.73 -1.58 -1.11 0.00 0.00 175.55 173.32 1im3 s HIS 114 N -1.74 -1.39 0.06 2.71 2.46 -1.25 -1.95 115.29 114.19 1im3 s HIS 114 Ca -0.12 1.10 -0.11 0.00 0.47 0.00 0.00 55.06 56.39 1im3 s HIS 114 Cb -0.06 0.35 0.01 0.00 -0.13 0.00 0.00 32.58 32.74 1im3 s HIS 114 CO -0.01 -0.79 0.25 1.14 -2.47 0.00 0.00 174.74 172.87 1im3 s GLN 115 N 2.88 0.80 0.15 2.88 -2.07 -0.01 -0.93 119.66 123.35 1im3 s GLN 115 Ca 0.15 -0.66 0.08 0.00 -1.82 0.00 0.00 55.36 53.11 1im3 s GLN 115 Cb -0.10 0.34 -0.04 0.00 -1.09 0.00 0.00 33.01 32.11 1im3 s GLN 115 CO -0.22 -0.25 -0.17 0.71 -1.32 0.00 0.00 175.29 174.04 1im3 s TYR 116 N -2.94 1.72 0.04 9.60 1.51 0.33 -0.95 117.35 126.67 1im3 s TYR 116 Ca -0.02 -0.49 0.02 0.00 -1.01 0.00 0.00 57.07 55.56 1im3 s TYR 116 Cb 0.01 -0.86 -0.02 0.00 -0.11 0.00 0.00 41.96 40.97 1im3 s TYR 116 CO -0.06 0.28 -0.07 0.00 -1.11 0.00 0.00 175.55 174.59 1im3 s ALA 117 N -2.09 0.53 -0.07 3.71 0.00 -0.09 -1.09 121.76 122.66 1im3 s ALA 117 Ca 0.14 -0.77 0.01 0.00 0.00 0.00 0.00 51.96 51.35 1im3 s ALA 117 Cb -0.05 0.06 0.02 0.00 0.00 0.00 0.00 23.12 23.15 1im3 s ALA 117 CO 0.06 -0.05 -0.08 -0.47 0.00 0.00 0.00 175.76 175.22 1im3 s TYR 118 N -1.49 1.20 -1.47 0.00 5.04 -0.43 -1.11 117.35 119.07 1im3 s TYR 118 Ca -0.10 -0.45 -0.07 0.00 -2.44 0.00 0.00 57.07 54.02 1im3 s TYR 118 Cb -0.09 -0.96 0.05 0.00 0.35 0.00 0.00 41.96 41.31 1im3 s TYR 118 CO -0.00 -0.29 0.67 -0.25 -1.34 0.00 0.00 175.55 174.33 1im3 n ASP 119 N 4.15 -2.01 0.00 4.32 8.00 0.25 -2.59 116.55 128.67 1im3 n ASP 119 Ca -0.21 -0.92 0.00 0.00 0.71 0.00 0.00 54.79 54.37 1im3 n ASP 119 Cb 0.51 -3.38 0.00 0.00 -0.02 0.00 0.00 41.12 38.24 1im3 n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1im3 n GLY 120 N -1.73 1.14 3.29 0.44 0.00 -1.26 -5.02 105.19 102.05 1im3 n GLY 120 Ca -0.16 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.70 1im3 n GLY 120 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1im3 s LYS 121 N -0.19 1.17 0.56 1.61 0.00 -1.07 -5.13 119.74 116.69 1im3 s LYS 121 Ca 0.00 -1.51 -0.20 0.00 0.00 0.00 0.00 55.97 54.26 1im3 s LYS 121 Cb 0.00 -0.79 -0.06 0.00 0.00 0.00 0.00 37.83 36.99 1im3 s LYS 121 CO 0.00 0.10 1.09 -0.25 0.00 0.00 0.00 175.35 176.29 1im3 n ASP 122 N -0.27 1.42 0.04 0.03 8.00 -1.26 -1.32 116.55 123.19 1im3 n ASP 122 Ca -0.09 0.89 0.00 0.00 0.71 0.00 0.00 54.79 56.30 1im3 n ASP 122 Cb 0.61 -1.44 0.00 0.00 -0.02 0.00 0.00 41.12 40.27 1im3 n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1im3 n TYR 123 N -1.34 -0.05 -3.70 1.24 9.36 -0.25 -4.62 117.16 117.79 1im3 n TYR 123 Ca 0.12 0.01 -0.14 0.00 3.32 0.00 0.00 57.90 61.21 1im3 n TYR 123 Cb 0.45 0.01 -0.08 0.00 -0.63 0.00 0.00 39.34 39.10 1im3 n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 1im3 s ILE 124 N -1.81 0.04 -0.01 2.97 2.07 -1.08 -0.67 121.20 122.72 1im3 s ILE 124 Ca 0.00 -0.35 -0.09 0.00 -1.41 0.00 0.00 60.65 58.80 1im3 s ILE 124 Cb 0.00 -0.71 0.01 0.00 0.13 0.00 0.00 42.46 41.89 1im3 s ILE 124 CO 0.00 -0.19 0.19 0.00 -1.91 0.00 0.00 174.94 173.03 1im3 s ALA 125 N -1.25 -0.46 -0.01 1.50 0.00 -0.83 -0.51 121.76 120.19 1im3 s ALA 125 Ca -0.13 0.04 -0.25 0.00 0.00 0.00 0.00 51.96 51.63 1im3 s ALA 125 Cb -0.04 0.06 -0.04 0.00 0.00 0.00 0.00 23.12 23.10 1im3 s ALA 125 CO 0.06 -0.21 0.78 -1.17 0.00 0.00 0.00 175.76 175.21 1im3 s LEU 126 N -1.25 4.38 0.80 0.00 2.96 -0.11 -1.04 118.68 124.42 1im3 s LEU 126 Ca -0.13 1.37 -0.11 0.00 -0.22 0.00 0.00 54.13 55.04 1im3 s LEU 126 Cb -0.06 -3.23 0.07 0.00 0.50 0.00 0.00 46.19 43.47 1im3 s LEU 126 CO 0.02 -0.09 1.09 -0.54 -1.32 0.00 0.00 176.35 175.51 1im3 s LYS 127 N 0.52 2.07 0.60 1.98 1.02 0.17 -4.63 119.74 121.47 1im3 s LYS 127 Ca 0.41 0.82 0.30 0.00 0.02 0.00 0.00 55.97 57.52 1im3 s LYS 127 Cb -0.19 -1.90 1.68 0.00 -0.52 0.00 0.00 37.83 36.90 1im3 s LYS 127 CO 0.22 -1.67 2.08 1.49 -0.92 0.00 0.00 175.35 176.55 1im3 h GLU 128 N -1.14 0.00 0.00 1.68 4.81 -1.88 0.15 114.58 118.20 1im3 h GLU 128 Ca -0.46 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 1im3 h GLU 128 Cb 1.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.64 1im3 h GLU 128 CO 0.56 0.00 0.00 -0.40 -0.73 0.00 0.00 179.01 178.44 1im3 n ASP 129 N -3.68 0.00 -1.95 1.04 5.68 -1.26 -4.83 116.55 111.54 1im3 n ASP 129 Ca 0.02 0.00 -0.18 0.00 -0.50 0.00 0.00 54.79 54.13 1im3 n ASP 129 Cb 0.35 -0.28 -0.04 0.00 -1.14 0.00 0.00 41.12 40.00 1im3 n ASP 129 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1im3 n LEU 130 N -1.28 -1.50 0.00 -2.12 4.77 0.53 -4.75 117.00 112.65 1im3 n LEU 130 Ca 0.09 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 1im3 n LEU 130 Cb 0.15 -2.63 0.00 0.00 -2.33 0.00 0.00 43.42 38.61 1im3 n LEU 130 CO 0.14 -0.59 -0.37 -1.14 -1.33 0.00 0.00 177.39 174.11 1im3 n ARG 131 N -2.56 0.66 -4.43 3.23 0.63 -1.26 -4.65 116.66 108.28 1im3 n ARG 131 Ca -0.20 0.00 -0.24 0.00 -0.92 0.00 0.00 57.85 56.49 1im3 n ARG 131 Cb 0.63 -0.87 -0.09 0.00 0.45 0.00 0.00 32.46 32.58 1im3 n ARG 131 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1im3 s SER 132 N -3.45 3.85 0.10 6.15 1.04 -1.26 -4.90 113.70 115.23 1im3 s SER 132 Ca 0.00 -0.95 0.04 0.00 0.48 0.00 0.00 55.95 55.52 1im3 s SER 132 Cb 0.00 -0.44 -0.04 0.00 0.10 0.00 0.00 66.02 65.64 1im3 s SER 132 CO 0.00 -0.00 0.06 0.26 0.98 0.00 0.00 173.24 174.54 1im3 s TRP 133 N -2.48 3.10 -0.31 5.02 0.52 -1.26 -0.66 118.94 122.87 1im3 s TRP 133 Ca 0.31 0.02 0.01 0.00 0.02 0.00 0.00 56.10 56.46 1im3 s TRP 133 Cb -0.04 -1.56 0.08 0.00 -1.15 0.00 0.00 33.47 30.79 1im3 s TRP 133 CO 0.16 0.51 0.01 0.99 0.02 0.00 0.00 176.95 178.64 1im3 s THR 134 N -1.46 2.54 -0.16 2.01 2.01 -0.21 -4.90 115.64 115.48 1im3 s THR 134 Ca 0.28 -1.86 -0.25 0.00 0.31 0.00 0.00 61.69 60.17 1im3 s THR 134 Cb -0.11 -2.64 -0.02 0.00 0.01 0.00 0.00 72.50 69.74 1im3 s THR 134 CO 0.21 -0.31 0.83 0.00 -0.69 0.00 0.00 174.62 174.66 1im3 s ALA 135 N 1.08 3.49 0.37 7.40 0.00 -1.26 -1.97 121.76 130.87 1im3 s ALA 135 Ca 0.00 0.07 0.14 0.00 0.00 0.00 0.00 51.96 52.17 1im3 s ALA 135 Cb -0.20 -3.22 0.80 0.00 0.00 0.00 0.00 23.12 20.50 1im3 s ALA 135 CO -0.05 -0.61 1.86 0.00 0.00 0.00 0.00 175.76 176.96 1im3 h ALA 136 N 7.28 1.38 -2.55 0.00 0.00 -1.20 -3.47 119.26 120.70 1im3 h ALA 136 Ca -0.30 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1im3 h ALA 136 Cb 1.14 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1im3 h ALA 136 CO 0.83 0.42 0.00 -0.40 0.00 0.00 0.00 179.25 180.10 1im3 n ASP 137 N -4.05 0.00 0.06 0.00 5.68 -1.26 -5.05 116.55 111.94 1im3 n ASP 137 Ca -0.02 -0.97 -0.13 0.00 -0.50 0.00 0.00 54.79 53.18 1im3 n ASP 137 Cb 0.38 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.29 1im3 n ASP 137 CO 0.00 0.00 0.00 -0.03 -1.33 0.00 0.00 177.20 175.84 1im3 h MET 138 N 0.00 -0.08 -0.54 0.11 1.85 -1.98 -3.01 114.93 111.28 1im3 h MET 138 Ca 0.00 0.01 0.08 0.00 -0.61 0.00 0.00 59.70 59.18 1im3 h MET 138 Cb 0.00 0.02 -0.06 0.00 0.43 0.00 0.00 31.60 31.98 1im3 h MET 138 CO 0.00 0.01 0.19 0.00 -0.40 0.00 0.00 176.91 176.71 1im3 h ALA 139 N 0.77 0.67 -0.04 0.39 0.00 -1.98 -1.32 119.26 117.76 1im3 h ALA 139 Ca -0.01 0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1im3 h ALA 139 Cb 0.14 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1im3 h ALA 139 CO 0.01 -0.21 0.09 0.00 0.00 0.00 0.00 179.25 179.14 1im3 h ALA 140 N 1.37 1.32 -0.34 0.00 0.00 -1.82 -1.31 119.26 118.47 1im3 h ALA 140 Ca 0.27 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1im3 h ALA 140 Cb 0.31 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1im3 h ALA 140 CO -0.28 -0.11 0.23 1.96 0.00 0.00 0.00 179.25 181.05 1im3 h GLN 141 N 0.00 0.44 -0.18 0.00 1.08 -1.17 0.25 115.11 115.53 1im3 h GLN 141 Ca 0.02 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.18 1im3 h GLN 141 Cb 0.20 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.53 1im3 h GLN 141 CO -0.00 0.29 0.08 1.15 -0.95 0.00 0.00 178.83 179.40 1im3 h THR 142 N 0.46 1.15 -0.78 -0.54 2.02 -1.37 -0.45 112.91 113.40 1im3 h THR 142 Ca 0.13 -0.44 -0.03 0.00 0.77 0.00 0.00 66.41 66.84 1im3 h THR 142 Cb -0.04 1.10 -0.04 0.00 -1.74 0.00 0.00 68.15 67.43 1im3 h THR 142 CO -0.03 0.14 0.38 0.74 0.37 0.00 0.00 175.52 177.13 1im3 h THR 143 N 0.15 1.24 -0.35 3.16 2.02 -1.48 -0.30 112.91 117.36 1im3 h THR 143 Ca 0.06 -0.67 0.03 0.00 0.77 0.00 0.00 66.41 66.60 1im3 h THR 143 Cb 0.15 0.25 -0.03 0.00 -1.74 0.00 0.00 68.15 66.78 1im3 h THR 143 CO -0.01 0.29 0.15 0.50 0.37 0.00 0.00 175.52 176.83 1im3 h LYS 144 N 1.09 0.32 -0.27 6.66 3.64 -0.44 0.31 116.57 127.89 1im3 h LYS 144 Ca 0.27 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.62 1im3 h LYS 144 Cb 0.10 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 1im3 h LYS 144 CO -0.04 0.21 0.12 1.25 -2.27 0.00 0.00 179.45 178.72 1im3 h HIS 145 N 0.33 0.39 -0.62 1.91 2.76 -0.81 -1.49 115.15 117.62 1im3 h HIS 145 Ca 0.15 -0.02 0.04 0.00 -2.20 0.00 0.00 60.37 58.34 1im3 h HIS 145 Cb 0.09 -0.12 -0.04 0.00 1.55 0.00 0.00 27.41 28.88 1im3 h HIS 145 CO -0.12 0.38 0.37 -0.22 -1.30 0.00 0.00 177.93 177.05 1im3 h LYS 146 N 0.29 0.69 -0.02 5.26 3.64 -0.48 -0.94 116.57 125.01 1im3 h LYS 146 Ca 0.09 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.33 1im3 h LYS 146 Cb 0.15 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1im3 h LYS 146 CO -0.01 0.45 -0.46 -1.49 -2.27 0.00 0.00 179.45 175.68 1im3 h TRP 147 N 0.71 0.04 -0.33 1.91 4.06 -0.16 -1.62 115.95 120.56 1im3 h TRP 147 Ca 0.26 -0.01 -0.17 0.00 2.06 0.00 0.00 58.89 61.03 1im3 h TRP 147 Cb 0.08 -0.01 -0.00 0.00 -1.00 0.00 0.00 29.16 28.23 1im3 h TRP 147 CO -0.06 0.49 -0.47 0.93 -3.56 0.00 0.00 178.44 175.77 1im3 h GLU 148 N 0.03 0.89 -0.22 0.49 5.08 -0.66 -0.74 114.58 119.45 1im3 h GLU 148 Ca -0.00 -0.51 -0.10 0.00 -1.00 0.00 0.00 59.36 57.75 1im3 h GLU 148 Cb 0.82 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 1im3 h GLU 148 CO 0.06 1.16 -0.28 0.00 -1.00 0.00 0.00 179.01 178.95 1im3 h ALA 149 N 0.75 1.10 -0.22 3.43 0.00 -0.90 -2.90 119.26 120.54 1im3 h ALA 149 Ca 0.04 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1im3 h ALA 149 Cb 1.06 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1im3 h ALA 149 CO 0.11 0.56 0.00 0.00 0.00 0.00 0.00 179.25 179.92 1im3 n ALA 150 N -2.49 2.49 -3.94 0.00 0.00 -0.63 -4.96 120.51 110.99 1im3 n ALA 150 Ca -0.01 -0.64 -0.28 0.00 0.00 0.00 0.00 53.44 52.52 1im3 n ALA 150 Cb 0.42 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.84 1im3 n ALA 150 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1im3 n HIS 151 N 0.62 -1.93 -0.12 0.00 -0.00 -0.38 -4.87 115.22 108.54 1im3 n HIS 151 Ca 0.17 0.83 -0.06 0.00 -0.00 0.00 0.00 57.72 58.65 1im3 n HIS 151 Cb 0.40 -3.80 0.11 0.00 -0.00 0.00 0.00 29.99 26.70 1im3 n HIS 151 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 1im3 h VAL 152 N -1.86 1.26 -0.75 1.59 2.07 -1.59 -3.03 116.25 113.94 1im3 h VAL 152 Ca -0.60 -1.16 0.03 0.00 0.82 0.00 0.00 66.70 65.78 1im3 h VAL 152 Cb 1.37 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 32.10 1im3 h VAL 152 CO 0.66 0.40 0.48 0.00 0.02 0.00 0.00 177.57 179.13 1im3 h ALA 153 N 1.14 0.98 -0.75 1.67 0.00 -1.90 -0.77 119.26 119.63 1im3 h ALA 153 Ca 0.13 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1im3 h ALA 153 Cb 0.58 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 1im3 h ALA 153 CO 0.04 0.29 0.39 0.93 0.00 0.00 0.00 179.25 180.90 1im3 h GLU 154 N 0.94 1.06 -0.28 0.00 3.07 -1.82 0.47 114.58 118.03 1im3 h GLU 154 Ca 0.30 -0.14 -0.06 0.00 -0.50 0.00 0.00 59.36 58.96 1im3 h GLU 154 Cb -0.00 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 27.70 1im3 h GLU 154 CO -0.10 0.80 -0.08 1.96 -1.40 0.00 0.00 179.01 180.19 1im3 h GLN 155 N 1.05 0.54 -0.59 2.33 4.20 -1.35 -2.71 115.11 118.57 1im3 h GLN 155 Ca 0.26 -0.21 -0.03 0.00 0.06 0.00 0.00 58.65 58.73 1im3 h GLN 155 Cb 0.06 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.79 1im3 h GLN 155 CO -0.04 0.75 0.24 -0.07 -0.67 0.00 0.00 178.83 179.05 1im3 h LEU 156 N 0.29 0.82 -0.54 1.46 3.38 -0.96 -2.59 115.31 117.17 1im3 h LEU 156 Ca 0.07 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.88 1im3 h LEU 156 Cb 0.56 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 1im3 h LEU 156 CO 0.03 0.76 0.35 -0.09 0.09 0.00 0.00 178.44 179.58 1im3 h ARG 157 N 0.82 0.69 -0.73 1.13 2.43 -0.89 0.26 114.38 118.10 1im3 h ARG 157 Ca 0.20 -0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.35 1im3 h ARG 157 Cb 0.20 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 29.55 1im3 h ARG 157 CO -0.02 0.46 0.47 0.00 -1.51 0.00 0.00 179.97 179.37 1im3 h ALA 158 N 1.21 0.94 -0.10 2.80 0.00 -1.30 -1.06 119.26 121.74 1im3 h ALA 158 Ca 0.20 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1im3 h ALA 158 Cb -0.06 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 1im3 h ALA 158 CO -0.05 0.28 -0.02 -0.92 0.00 0.00 0.00 179.25 178.53 1im3 h TYR 159 N 0.93 0.21 -0.79 0.00 3.20 -1.01 -1.06 116.97 118.46 1im3 h TYR 159 Ca 0.28 -0.05 -0.03 0.00 3.14 0.00 0.00 58.73 62.08 1im3 h TYR 159 Cb -0.02 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.16 1im3 h TYR 159 CO -0.03 0.50 0.38 -0.07 -1.64 0.00 0.00 178.16 177.29 1im3 h LEU 160 N -0.13 1.03 0.00 2.82 3.38 -0.29 0.17 115.31 122.29 1im3 h LEU 160 Ca 0.03 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 1im3 h LEU 160 Cb 0.43 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 1im3 h LEU 160 CO 0.01 0.88 -0.54 -0.33 0.09 0.00 0.00 178.44 178.55 1im3 h GLU 161 N 1.11 0.00 0.00 1.13 5.08 -1.26 -3.33 114.58 117.32 1im3 h GLU 161 Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1im3 h GLU 161 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1im3 h GLU 161 CO -0.03 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.39 1im3 n GLY 162 N 1.14 0.16 0.30 -3.84 0.00 -0.40 -4.67 105.19 97.88 1im3 n GLY 162 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1im3 n GLY 162 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1im3 h THR 163 N 0.00 0.21 0.26 2.61 2.02 -1.60 0.09 112.91 116.50 1im3 h THR 163 Ca 0.00 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.19 1im3 h THR 163 Cb 0.00 0.21 -0.03 0.00 -1.74 0.00 0.00 68.15 66.59 1im3 h THR 163 CO 0.00 0.00 -0.34 0.00 0.37 0.00 0.00 175.52 175.55 1im3 h VAL 165 N -0.65 1.23 -0.33 0.00 -1.51 -1.59 -0.80 116.25 112.60 1im3 h VAL 165 Ca -0.00 -1.07 -0.04 0.00 -1.23 0.00 0.00 66.70 64.36 1im3 h VAL 165 Cb 0.62 1.33 -0.01 0.00 -2.13 0.00 0.00 31.29 31.10 1im3 h VAL 165 CO -0.12 0.33 0.07 -0.33 -1.23 0.00 0.00 177.57 176.29 1im3 h GLU 166 N 0.29 0.54 -0.04 5.19 5.08 -0.60 -1.12 114.58 123.93 1im3 h GLU 166 Ca 0.05 -0.14 -0.15 0.00 -1.00 0.00 0.00 59.36 58.12 1im3 h GLU 166 Cb 0.54 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1im3 h GLU 166 CO 0.04 0.62 -0.67 -1.49 -1.00 0.00 0.00 179.01 176.50 1im3 h TRP 167 N 0.38 0.23 -0.57 4.33 4.06 -0.97 -2.21 115.95 121.20 1im3 h TRP 167 Ca 0.10 -0.10 -0.00 0.00 2.06 0.00 0.00 58.89 60.95 1im3 h TRP 167 Cb 0.33 -0.04 -0.03 0.00 -1.00 0.00 0.00 29.16 28.42 1im3 h TRP 167 CO 0.02 0.79 0.35 1.25 -3.56 0.00 0.00 178.44 177.29 1im3 h LEU 168 N 0.12 0.68 -0.91 -4.49 5.85 -0.96 0.12 115.31 115.72 1im3 h LEU 168 Ca -0.01 -0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.62 1im3 h LEU 168 Cb 1.20 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 42.02 1im3 h LEU 168 CO 0.10 0.52 0.33 0.03 -0.34 0.00 0.00 178.44 179.08 1im3 h ARG 169 N 0.77 1.12 -0.62 1.25 3.08 -1.03 0.13 114.38 119.08 1im3 h ARG 169 Ca 0.21 -0.18 -0.04 0.00 0.07 0.00 0.00 59.98 60.03 1im3 h ARG 169 Cb -0.04 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 29.79 1im3 h ARG 169 CO -0.04 0.89 0.24 -0.09 -1.07 0.00 0.00 179.97 179.90 1im3 h ARG 170 N 1.10 0.93 -0.28 0.04 2.43 -0.80 -1.67 114.38 116.14 1im3 h ARG 170 Ca 0.26 -0.18 -0.04 0.00 -0.81 0.00 0.00 59.98 59.21 1im3 h ARG 170 Cb 0.17 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 1im3 h ARG 170 CO -0.03 0.80 0.02 1.88 -1.51 0.00 0.00 179.97 181.13 1im3 h TYR 171 N 0.87 0.51 -1.00 2.20 0.05 0.01 -0.67 116.97 118.94 1im3 h TYR 171 Ca 0.20 -0.08 0.09 0.00 0.05 0.00 0.00 58.73 58.99 1im3 h TYR 171 Cb 0.22 -0.14 -0.07 0.00 1.01 0.00 0.00 36.73 37.75 1im3 h TYR 171 CO 0.01 0.60 0.64 -0.07 -1.05 0.00 0.00 178.16 178.30 1im3 h LEU 172 N 0.27 0.99 0.06 3.88 3.38 -0.59 0.17 115.31 123.47 1im3 h LEU 172 Ca 0.08 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1im3 h LEU 172 Cb 0.39 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1im3 h LEU 172 CO 0.01 0.59 -0.03 -0.08 0.09 0.00 0.00 178.44 179.02 1im3 h GLU 173 N 1.09 -0.07 -0.74 1.13 4.57 -1.12 -0.52 114.58 118.93 1im3 h GLU 173 Ca 0.46 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.65 1im3 h GLU 173 Cb 0.30 0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.87 1im3 h GLU 173 CO -0.21 0.52 0.48 -0.91 -1.18 0.00 0.00 179.01 177.71 1im3 h ASN 174 N -0.77 0.86 -0.62 1.04 2.35 -0.94 -2.34 115.58 115.17 1im3 h ASN 174 Ca -0.01 -0.03 -0.07 0.00 -0.55 0.00 0.00 56.30 55.64 1im3 h ASN 174 Cb 0.63 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 38.74 1im3 h ASN 174 CO 0.01 0.64 0.09 0.61 -1.65 0.00 0.00 177.43 177.13 1im3 n GLY 175 N -1.38 3.26 0.36 2.83 0.00 0.59 -4.69 105.19 106.16 1im3 n GLY 175 Ca 0.08 -0.96 0.17 0.00 0.00 0.00 0.00 46.02 45.31 1im3 n GLY 175 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1im3 h LYS 176 N 3.51 0.58 -0.04 1.61 2.10 -0.50 0.26 116.57 124.08 1im3 h LYS 176 Ca 0.09 -0.03 0.01 0.00 -2.00 0.00 0.00 60.65 58.71 1im3 h LYS 176 Cb 2.09 -0.13 -0.00 0.00 -0.90 0.00 0.00 32.23 33.28 1im3 h LYS 176 CO 0.57 0.38 0.04 0.93 -2.00 0.00 0.00 179.45 179.37 1im3 h GLU 177 N 0.59 0.00 0.00 0.07 4.39 -1.85 -1.23 114.58 116.55 1im3 h GLU 177 Ca 0.60 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.30 1im3 h GLU 177 Cb 1.18 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.82 1im3 h GLU 177 CO -0.39 0.00 -1.08 0.25 -1.16 0.00 0.00 179.01 176.63 1im3 n THR 178 N -3.84 0.03 -0.05 1.13 -2.24 -0.27 -4.38 114.28 104.66 1im3 n THR 178 Ca -0.02 -0.04 -0.09 0.00 -2.27 0.00 0.00 64.05 61.62 1im3 n THR 178 Cb 0.13 0.04 -0.15 0.00 -2.10 0.00 0.00 70.33 68.26 1im3 n THR 178 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1im3 n LEU 179 N -1.70 0.61 -0.15 3.22 4.77 0.76 -4.48 117.00 120.02 1im3 n LEU 179 Ca -0.01 0.26 0.08 0.00 -0.03 0.00 0.00 56.01 56.32 1im3 n LEU 179 Cb 0.19 0.26 -0.06 0.00 -2.33 0.00 0.00 43.42 41.48 1im3 n LEU 179 CO 0.03 0.44 0.07 0.00 -1.33 0.00 0.00 177.39 176.61 1im3 n GLN 180 N -2.95 1.37 -3.10 3.23 6.02 -0.48 -4.94 117.38 116.54 1im3 n GLN 180 Ca -0.23 -0.32 -0.25 0.00 -0.01 0.00 0.00 57.00 56.19 1im3 n GLN 180 Cb 1.09 -1.33 -0.01 0.00 1.02 0.00 0.00 30.24 31.02 1im3 n GLN 180 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1im3 s ARG 181 N -2.44 3.46 0.25 -1.09 0.52 -1.13 -4.98 118.95 113.55 1im3 s ARG 181 Ca 0.10 -0.17 0.11 0.00 -0.52 0.00 0.00 55.73 55.24 1im3 s ARG 181 Cb 0.14 -2.56 -0.05 0.00 0.52 0.00 0.00 34.95 33.00 1im3 s ARG 181 CO 0.62 -0.01 -0.12 0.95 0.02 0.00 0.00 175.30 176.77 1im3 s THR 182 N -2.48 2.93 -0.22 0.02 -4.23 -1.26 -4.75 115.64 105.65 1im3 s THR 182 Ca 0.43 -2.06 0.01 0.00 -1.18 0.00 0.00 61.69 58.89 1im3 s THR 182 Cb -0.10 -2.52 0.05 0.00 1.34 0.00 0.00 72.50 71.27 1im3 s THR 182 CO 0.39 -0.31 -0.08 -1.81 -0.54 0.00 0.00 174.62 172.27 1im3 s ASP 183 N -3.35 3.63 0.49 3.99 1.11 0.15 -4.96 116.67 117.73 1im3 s ASP 183 Ca 0.29 -1.03 -0.21 0.00 0.18 0.00 0.00 52.55 51.77 1im3 s ASP 183 Cb -0.06 -1.22 -0.07 0.00 1.07 0.00 0.00 42.92 42.63 1im3 s ASP 183 CO 0.16 -0.19 1.14 0.00 1.18 0.00 0.00 175.17 177.46 1im3 s ALA 184 N 1.38 2.87 0.19 5.23 0.00 -1.26 -1.07 121.76 129.10 1im3 s ALA 184 Ca -0.04 0.85 -0.30 0.00 0.00 0.00 0.00 51.96 52.48 1im3 s ALA 184 Cb -0.17 -3.36 -0.08 0.00 0.00 0.00 0.00 23.12 19.51 1im3 s ALA 184 CO -0.07 -0.65 1.19 -1.25 0.00 0.00 0.00 175.76 174.98 1im3 s PRO 185 N -2.95 4.51 -0.21 0.00 0.04 -1.26 -4.42 135.00 130.71 1im3 s PRO 185 Ca 0.67 1.86 -0.20 0.00 0.04 0.00 0.00 61.00 63.37 1im3 s PRO 185 Cb -0.25 -3.24 -0.02 0.00 0.04 0.00 0.00 34.50 31.02 1im3 s PRO 185 CO 0.30 -0.06 0.61 0.15 0.04 0.00 0.00 177.00 178.04 1im3 s LYS 186 N -0.35 4.18 0.23 4.56 1.02 0.23 -4.81 119.74 124.80 1im3 s LYS 186 Ca 0.52 0.56 0.10 0.00 0.02 0.00 0.00 55.97 57.17 1im3 s LYS 186 Cb -0.32 -3.59 -0.04 0.00 -0.52 0.00 0.00 37.83 33.35 1im3 s LYS 186 CO 0.37 -0.27 -0.10 0.95 -0.92 0.00 0.00 175.35 175.38 1im3 s THR 187 N 2.02 3.08 0.05 2.17 -4.23 -1.26 -1.33 115.64 116.14 1im3 s THR 187 Ca 0.27 -1.91 -0.28 0.00 -1.18 0.00 0.00 61.69 58.60 1im3 s THR 187 Cb -0.16 -2.58 0.09 0.00 1.34 0.00 0.00 72.50 71.20 1im3 s THR 187 CO 0.10 -0.25 0.94 -1.38 -0.54 0.00 0.00 174.62 173.49 1im3 s HIS 188 N -2.05 -0.24 0.03 3.99 -3.43 -1.14 -5.00 115.29 107.45 1im3 s HIS 188 Ca 0.28 0.05 0.07 0.00 -0.80 0.00 0.00 55.06 54.65 1im3 s HIS 188 Cb -0.07 0.58 -0.02 0.00 -1.43 0.00 0.00 32.58 31.63 1im3 s HIS 188 CO 0.16 -0.63 -0.21 1.41 -2.00 0.00 0.00 174.74 173.47 1im3 s MET 189 N -3.14 1.46 0.21 -0.38 1.75 -1.26 -0.50 119.30 117.44 1im3 s MET 189 Ca 0.08 -0.90 0.11 0.00 -1.25 0.00 0.00 55.69 53.73 1im3 s MET 189 Cb -0.01 -1.54 -0.05 0.00 2.84 0.00 0.00 34.83 36.07 1im3 s MET 189 CO -0.04 0.40 -0.22 0.95 -0.65 0.00 0.00 175.02 175.46 1im3 s THR 190 N -0.74 2.47 -0.08 10.11 -4.23 -0.11 -4.96 115.64 118.11 1im3 s THR 190 Ca 0.08 -2.07 0.03 0.00 -1.18 0.00 0.00 61.69 58.55 1im3 s THR 190 Cb -0.09 -2.21 0.01 0.00 1.34 0.00 0.00 72.50 71.55 1im3 s THR 190 CO 0.01 -0.17 -0.18 -2.28 -0.54 0.00 0.00 174.62 171.46 1im3 s HIS 191 N -1.84 1.99 -0.12 3.99 2.46 -1.26 -1.14 115.29 119.36 1im3 s HIS 191 Ca 0.23 -0.79 -0.01 0.00 0.47 0.00 0.00 55.06 54.96 1im3 s HIS 191 Cb -0.07 -1.38 0.04 0.00 -0.13 0.00 0.00 32.58 31.03 1im3 s HIS 191 CO 0.11 -0.35 -0.02 -1.01 -2.47 0.00 0.00 174.74 171.00 1im3 s HIS 192 N 0.53 1.09 -0.11 3.88 3.76 -0.56 -5.00 115.29 118.88 1im3 s HIS 192 Ca -0.16 -0.58 -0.30 0.00 -0.15 0.00 0.00 55.06 53.87 1im3 s HIS 192 Cb -0.17 -1.03 -0.03 0.00 1.11 0.00 0.00 32.58 32.47 1im3 s HIS 192 CO 0.06 -0.47 1.37 0.00 -0.85 0.00 0.00 174.74 174.85 1im3 s ALA 193 N 1.84 3.63 0.02 -1.40 0.00 -1.26 -0.41 121.76 124.17 1im3 s ALA 193 Ca 0.03 0.64 -0.03 0.00 0.00 0.00 0.00 51.96 52.61 1im3 s ALA 193 Cb -0.14 -3.64 -0.28 0.00 0.00 0.00 0.00 23.12 19.07 1im3 s ALA 193 CO -0.07 -1.15 0.90 0.28 0.00 0.00 0.00 175.76 175.72 1im3 h VAL 194 N 5.39 1.21 -1.30 0.00 2.07 -1.50 -3.47 116.25 118.64 1im3 h VAL 194 Ca -0.32 -2.84 0.00 0.00 0.82 0.00 0.00 66.70 64.36 1im3 h VAL 194 Cb 1.14 2.78 0.00 0.00 -1.52 0.00 0.00 31.29 33.69 1im3 h VAL 194 CO 0.95 0.82 0.00 -1.54 0.02 0.00 0.00 177.57 177.82 1im3 n SER 195 N -3.45 0.00 -0.01 0.57 3.41 -0.89 -4.95 113.62 108.29 1im3 n SER 195 Ca -0.15 -0.53 0.13 0.00 -0.26 0.00 0.00 58.87 58.07 1im3 n SER 195 Cb 1.04 0.00 0.52 0.00 -0.26 0.00 0.00 64.21 65.51 1im3 n SER 195 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1im3 n ASP 196 N -0.41 0.19 -0.00 4.04 8.00 -1.26 -3.80 116.55 123.31 1im3 n ASP 196 Ca 0.00 0.14 0.05 0.00 0.71 0.00 0.00 54.79 55.69 1im3 n ASP 196 Cb 0.00 -0.23 -0.08 0.00 -0.02 0.00 0.00 41.12 40.79 1im3 n ASP 196 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1im3 n HIS 197 N -1.43 0.00 -4.09 1.24 8.25 -1.26 -4.76 115.22 113.17 1im3 n HIS 197 Ca 0.08 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.44 1im3 n HIS 197 Cb 0.33 -0.22 -0.11 0.00 1.12 0.00 0.00 29.99 31.11 1im3 n HIS 197 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1im3 s GLU 198 N -2.66 0.61 0.02 -0.41 2.02 -1.25 -1.04 118.70 115.98 1im3 s GLU 198 Ca -0.03 -1.04 -0.02 0.00 0.02 0.00 0.00 54.97 53.90 1im3 s GLU 198 Cb 0.06 -0.06 -0.01 0.00 0.10 0.00 0.00 34.13 34.21 1im3 s GLU 198 CO 0.41 -0.03 0.01 0.00 0.02 0.00 0.00 175.26 175.67 1im3 s ALA 199 N -2.79 0.01 -0.20 5.21 0.00 0.57 -1.23 121.76 123.32 1im3 s ALA 199 Ca 0.01 -0.47 -0.07 0.00 0.00 0.00 0.00 51.96 51.43 1im3 s ALA 199 Cb -0.00 0.14 -0.03 0.00 0.00 0.00 0.00 23.12 23.22 1im3 s ALA 199 CO -0.04 -0.17 0.05 0.99 0.00 0.00 0.00 175.76 176.59 1im3 s THR 200 N -1.42 4.43 -0.19 0.00 2.01 0.46 0.07 115.64 121.00 1im3 s THR 200 Ca -0.15 -0.15 -0.06 0.00 0.31 0.00 0.00 61.69 61.64 1im3 s THR 200 Cb -0.09 -3.02 -0.03 0.00 0.01 0.00 0.00 72.50 69.37 1im3 s THR 200 CO -0.00 0.42 0.02 -0.76 -0.69 0.00 0.00 174.62 173.60 1im3 s LEU 201 N 0.86 3.46 -0.13 4.42 1.43 -0.30 -1.50 118.68 126.92 1im3 s LEU 201 Ca 0.03 -0.09 0.02 0.00 -1.03 0.00 0.00 54.13 53.06 1im3 s LEU 201 Cb -0.14 -1.87 0.01 0.00 0.03 0.00 0.00 46.19 44.22 1im3 s LEU 201 CO 0.02 0.12 -0.19 -0.60 0.23 0.00 0.00 176.35 175.93 1im3 s ARG 202 N 0.66 2.73 -0.27 1.70 3.52 -0.29 -1.40 118.95 125.60 1im3 s ARG 202 Ca 0.01 -0.75 -0.11 0.00 -0.13 0.00 0.00 55.73 54.75 1im3 s ARG 202 Cb -0.14 -2.24 -0.05 0.00 -1.56 0.00 0.00 34.95 30.96 1im3 s ARG 202 CO 0.02 -0.04 0.19 0.00 -0.81 0.00 0.00 175.30 174.66 1im3 s TRP 204 N 1.62 3.36 -0.15 0.00 0.52 0.34 -1.57 118.94 123.06 1im3 s TRP 204 Ca 0.07 0.34 -0.00 0.00 0.02 0.00 0.00 56.10 56.52 1im3 s TRP 204 Cb -0.15 -1.86 0.04 0.00 -1.15 0.00 0.00 33.47 30.34 1im3 s TRP 204 CO 0.10 0.58 -0.06 0.00 0.02 0.00 0.00 176.95 177.58 1im3 s ALA 205 N -0.91 1.45 0.14 0.98 0.00 0.01 -2.88 121.76 120.56 1im3 s ALA 205 Ca 0.14 -0.76 0.06 0.00 0.00 0.00 0.00 51.96 51.41 1im3 s ALA 205 Cb -0.12 -1.06 -0.04 0.00 0.00 0.00 0.00 23.12 21.90 1im3 s ALA 205 CO 0.03 -0.67 -0.14 -0.51 0.00 0.00 0.00 175.76 174.47 1im3 s LEU 206 N 1.65 2.45 -1.44 0.00 1.43 -0.44 -1.16 118.68 121.16 1im3 s LEU 206 Ca 0.02 -0.87 -0.11 0.00 -1.03 0.00 0.00 54.13 52.14 1im3 s LEU 206 Cb -0.14 -0.60 0.05 0.00 0.03 0.00 0.00 46.19 45.53 1im3 s LEU 206 CO -0.08 -0.15 1.06 -0.24 0.23 0.00 0.00 176.35 177.18 1im3 n SER 207 N 0.27 -5.29 -4.75 2.29 2.88 -0.76 -0.60 113.62 107.66 1im3 n SER 207 Ca -0.13 -0.67 -0.24 0.00 -1.33 0.00 0.00 58.87 56.49 1im3 n SER 207 Cb 0.58 -4.42 -0.06 0.00 -0.75 0.00 0.00 64.21 59.56 1im3 n SER 207 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1im3 s PHE 208 N -3.32 2.99 -0.22 0.66 -0.12 -0.93 -4.58 117.98 112.46 1im3 s PHE 208 Ca 0.59 -0.11 -0.17 0.00 -0.05 0.00 0.00 56.93 57.19 1im3 s PHE 208 Cb -0.28 -1.39 0.06 0.00 -0.63 0.00 0.00 43.02 40.78 1im3 s PHE 208 CO 0.78 0.54 0.57 -0.47 -0.05 0.00 0.00 175.22 176.59 1im3 s TYR 209 N -1.98 -0.73 1.15 3.49 5.04 -0.24 -0.19 117.35 123.90 1im3 s TYR 209 Ca 0.31 1.63 -0.17 0.00 -2.44 0.00 0.00 57.07 56.40 1im3 s TYR 209 Cb -0.08 0.33 0.26 0.00 0.35 0.00 0.00 41.96 42.82 1im3 s TYR 209 CO 0.22 -0.37 1.10 -1.25 -1.34 0.00 0.00 175.55 173.91 1im3 s PRO 210 N 0.88 -0.82 0.36 4.97 0.04 -1.26 -0.68 135.00 138.49 1im3 s PRO 210 Ca -0.05 0.11 0.07 0.00 0.04 0.00 0.00 61.00 61.18 1im3 s PRO 210 Cb -0.05 -1.63 0.67 0.00 0.04 0.00 0.00 34.50 33.53 1im3 s PRO 210 CO -0.07 -3.48 1.86 0.00 0.04 0.00 0.00 177.00 175.35 1im3 h ALA 211 N -2.42 1.39 -2.11 8.56 0.00 -1.95 -3.44 119.26 119.29 1im3 h ALA 211 Ca -0.48 -0.24 -0.61 0.00 0.00 0.00 0.00 54.91 53.58 1im3 h ALA 211 Cb 1.31 -0.10 0.05 0.00 0.00 0.00 0.00 17.79 19.04 1im3 h ALA 211 CO 0.41 0.42 0.80 -1.91 0.00 0.00 0.00 179.25 178.97 1im3 n GLU 212 N -4.23 1.96 -3.49 0.00 4.07 -1.26 -4.96 120.64 112.72 1im3 n GLU 212 Ca -0.00 0.71 -0.12 0.00 -0.06 0.00 0.00 57.16 57.69 1im3 n GLU 212 Cb 0.30 -2.47 -0.03 0.00 -0.06 0.00 0.00 31.44 29.18 1im3 n GLU 212 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 1im3 s ILE 213 N 1.47 0.00 -0.11 6.31 2.07 -1.26 -4.72 121.20 124.96 1im3 s ILE 213 Ca 0.83 0.00 -0.00 0.00 -1.41 0.00 0.00 60.65 60.06 1im3 s ILE 213 Cb -0.74 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 40.88 1im3 s ILE 213 CO 0.43 0.00 -0.07 -0.89 -1.91 0.00 0.00 174.94 172.49 1im3 s THR 214 N -2.54 0.98 -0.19 4.00 2.01 -0.76 -5.00 115.64 114.14 1im3 s THR 214 Ca -0.01 -0.27 -0.03 0.00 0.31 0.00 0.00 61.69 61.70 1im3 s THR 214 Cb -0.01 -1.01 -0.01 0.00 0.01 0.00 0.00 72.50 71.49 1im3 s THR 214 CO -0.04 0.36 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.42 1im3 s LEU 215 N 1.68 2.82 0.02 4.42 1.02 -1.26 -0.93 118.68 126.46 1im3 s LEU 215 Ca 0.04 -0.38 0.01 0.00 0.02 0.00 0.00 54.13 53.82 1im3 s LEU 215 Cb -0.13 -1.69 -0.02 0.00 0.02 0.00 0.00 46.19 44.37 1im3 s LEU 215 CO -0.08 0.03 -0.05 0.42 0.02 0.00 0.00 176.35 176.69 1im3 s THR 216 N 1.15 0.35 -0.02 5.49 -4.23 -0.55 -4.98 115.64 112.85 1im3 s THR 216 Ca 0.02 -0.75 -0.00 0.00 -1.18 0.00 0.00 61.69 59.77 1im3 s THR 216 Cb -0.14 -0.41 -0.04 0.00 1.34 0.00 0.00 72.50 73.25 1im3 s THR 216 CO -0.02 -0.27 0.05 0.26 -0.54 0.00 0.00 174.62 174.10 1im3 s TRP 217 N -1.00 3.22 0.05 3.99 0.52 -1.26 -0.02 118.94 124.43 1im3 s TRP 217 Ca -0.08 0.19 0.04 0.00 0.02 0.00 0.00 56.10 56.27 1im3 s TRP 217 Cb -0.07 -1.74 -0.02 0.00 -1.15 0.00 0.00 33.47 30.48 1im3 s TRP 217 CO -0.00 0.52 -0.12 -0.65 0.02 0.00 0.00 176.95 176.72 1im3 s GLN 218 N -1.50 0.75 -0.17 4.98 -0.21 0.39 -0.72 119.66 123.18 1im3 s GLN 218 Ca 0.20 -0.79 0.01 0.00 0.02 0.00 0.00 55.36 54.79 1im3 s GLN 218 Cb -0.12 -0.69 0.03 0.00 1.00 0.00 0.00 33.01 33.23 1im3 s GLN 218 CO 0.10 0.16 -0.16 0.50 -2.12 0.00 0.00 175.29 173.77 1im3 s ARG 219 N -1.41 2.52 -1.51 2.91 3.52 0.22 -0.71 118.95 124.49 1im3 s ARG 219 Ca -0.03 -0.72 -0.13 0.00 -0.13 0.00 0.00 55.73 54.72 1im3 s ARG 219 Cb -0.09 -2.34 0.08 0.00 -1.56 0.00 0.00 34.95 31.03 1im3 s ARG 219 CO 0.01 -0.26 1.02 -0.25 -0.81 0.00 0.00 175.30 175.01 1im3 n ASP 220 N 4.69 -5.04 -0.10 -2.12 8.00 -0.32 -1.59 116.55 120.07 1im3 n ASP 220 Ca -0.18 -0.75 -0.01 0.00 0.71 0.00 0.00 54.79 54.56 1im3 n ASP 220 Cb 0.49 -4.05 -0.01 0.00 -0.02 0.00 0.00 41.12 37.54 1im3 n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1im3 n GLY 221 N -1.74 0.46 3.32 0.44 0.00 -1.26 -5.02 105.19 101.39 1im3 n GLY 221 Ca 0.04 -0.17 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 1im3 n GLY 221 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1im3 s GLU 222 N -1.01 2.38 0.36 1.61 2.02 -0.62 -5.04 118.70 118.40 1im3 s GLU 222 Ca 0.00 -0.88 -0.27 0.00 0.02 0.00 0.00 54.97 53.84 1im3 s GLU 222 Cb 0.00 -2.15 -0.12 0.00 0.10 0.00 0.00 34.13 31.96 1im3 s GLU 222 CO 0.00 0.49 1.16 -0.25 0.02 0.00 0.00 175.26 176.67 1im3 n ASP 223 N 2.66 2.04 -4.02 -0.19 8.00 -1.26 -0.61 116.55 123.16 1im3 n ASP 223 Ca -0.17 1.14 -0.28 0.00 0.71 0.00 0.00 54.79 56.20 1im3 n ASP 223 Cb 0.52 -1.41 -0.17 0.00 -0.02 0.00 0.00 41.12 40.04 1im3 n ASP 223 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1im3 s GLN 224 N -1.89 2.02 -0.10 -1.24 -1.52 0.10 -4.77 119.66 112.27 1im3 s GLN 224 Ca 0.59 -0.48 0.00 0.00 -1.95 0.00 0.00 55.36 53.52 1im3 s GLN 224 Cb -0.59 -1.77 -0.06 0.00 -0.22 0.00 0.00 33.01 30.37 1im3 s GLN 224 CO 0.60 -0.09 -0.09 2.41 -0.25 0.00 0.00 175.29 177.86 1im3 n THR 225 N 4.30 0.56 -1.92 -0.19 -1.04 -1.26 -4.38 114.28 110.35 1im3 n THR 225 Ca -0.18 -0.21 -0.41 0.00 -2.04 0.00 0.00 64.05 61.21 1im3 n THR 225 Cb 0.51 -0.91 -0.01 0.00 -1.82 0.00 0.00 70.33 68.10 1im3 n THR 225 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 1im3 s GLN 226 N -2.20 4.20 -1.60 -2.82 0.74 -1.26 -2.63 119.66 114.10 1im3 s GLN 226 Ca -0.13 2.44 0.00 0.00 0.05 0.00 0.00 55.36 57.71 1im3 s GLN 226 Cb 0.04 -3.03 0.00 0.00 1.10 0.00 0.00 33.01 31.12 1im3 s GLN 226 CO 0.22 -0.44 0.00 -0.25 -0.55 0.00 0.00 175.29 174.27 1im3 n ASP 227 N 1.09 -4.89 -4.56 6.67 10.43 -1.26 -4.87 116.55 119.16 1im3 n ASP 227 Ca 0.03 0.26 -0.25 0.00 2.57 0.00 0.00 54.79 57.40 1im3 n ASP 227 Cb 0.40 -3.88 -0.09 0.00 1.84 0.00 0.00 41.12 39.39 1im3 n ASP 227 CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 1im3 s THR 228 N -2.67 3.03 -0.01 -3.53 -4.23 -1.08 -0.87 115.64 106.28 1im3 s THR 228 Ca 0.00 -1.96 0.01 0.00 -1.18 0.00 0.00 61.69 58.55 1im3 s THR 228 Cb 0.00 -2.56 0.01 0.00 1.34 0.00 0.00 72.50 71.29 1im3 s THR 228 CO 0.00 -0.27 -0.01 -0.70 -0.54 0.00 0.00 174.62 173.10 1im3 s GLU 229 N -3.27 0.21 -0.15 3.99 2.12 0.20 -4.96 118.70 116.84 1im3 s GLU 229 Ca 0.28 -0.00 -0.00 0.00 0.36 0.00 0.00 54.97 55.60 1im3 s GLU 229 Cb -0.07 -0.30 0.03 0.00 0.26 0.00 0.00 34.13 34.06 1im3 s GLU 229 CO 0.16 -0.03 -0.08 -1.17 -0.54 0.00 0.00 175.26 173.60 1im3 s LEU 230 N 0.42 1.57 0.59 2.70 2.96 -1.26 0.16 118.68 125.82 1im3 s LEU 230 Ca -0.04 -0.55 -0.08 0.00 -0.22 0.00 0.00 54.13 53.24 1im3 s LEU 230 Cb -0.06 -0.97 -0.01 0.00 0.50 0.00 0.00 46.19 45.64 1im3 s LEU 230 CO -0.01 -0.14 0.94 0.68 -1.32 0.00 0.00 176.35 176.50 1im3 s VAL 231 N 1.60 4.21 0.38 1.68 -7.23 -1.09 -5.02 120.40 114.94 1im3 s VAL 231 Ca 0.02 0.37 -0.27 0.00 -1.81 0.00 0.00 61.98 60.29 1im3 s VAL 231 Cb -0.14 -3.67 -0.09 0.00 0.56 0.00 0.00 36.38 33.04 1im3 s VAL 231 CO -0.08 -0.77 1.30 -0.70 -0.31 0.00 0.00 175.10 174.54 1im3 s GLU 232 N -5.05 4.09 0.35 4.82 2.12 -1.26 -4.67 118.70 119.10 1im3 s GLU 232 Ca 0.53 2.17 -0.29 0.00 0.36 0.00 0.00 54.97 57.75 1im3 s GLU 232 Cb -0.11 -2.85 -0.11 0.00 0.26 0.00 0.00 34.13 31.33 1im3 s GLU 232 CO 0.49 -0.40 1.51 0.99 -0.54 0.00 0.00 175.26 177.31 1im3 s THR 233 N -1.23 2.07 0.06 -1.70 2.01 -1.26 -4.83 115.64 110.76 1im3 s THR 233 Ca 0.54 0.07 0.03 0.00 0.31 0.00 0.00 61.69 62.64 1im3 s THR 233 Cb -0.38 -3.04 -0.03 0.00 0.01 0.00 0.00 72.50 69.06 1im3 s THR 233 CO 0.50 0.01 -0.10 0.00 -0.69 0.00 0.00 174.62 174.35 1im3 s ARG 234 N -1.67 0.66 0.14 4.92 1.70 -0.02 -4.96 118.95 119.72 1im3 s ARG 234 Ca 0.55 -0.89 -0.30 0.00 -0.47 0.00 0.00 55.73 54.62 1im3 s ARG 234 Cb -0.47 -0.45 -0.07 0.00 -0.57 0.00 0.00 34.95 33.40 1im3 s ARG 234 CO 0.59 0.08 1.05 -1.25 -1.08 0.00 0.00 175.30 174.70 1im3 s PRO 235 N -1.90 4.62 0.43 3.89 0.04 -1.26 -0.40 135.00 140.42 1im3 s PRO 235 Ca -0.05 1.62 0.23 0.00 0.04 0.00 0.00 61.00 62.84 1im3 s PRO 235 Cb -0.08 -3.32 0.41 0.00 0.04 0.00 0.00 34.50 31.55 1im3 s PRO 235 CO 0.01 0.10 1.63 0.00 0.04 0.00 0.00 177.00 178.77 1im3 h ALA 236 N 5.44 0.95 0.00 8.56 0.00 -1.38 -3.46 119.26 129.37 1im3 h ALA 236 Ca -0.43 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1im3 h ALA 236 Cb 1.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1im3 h ALA 236 CO 0.73 0.11 0.00 0.41 0.00 0.00 0.00 179.25 180.50 1im3 n GLY 237 N 0.99 0.37 0.38 0.00 0.00 -1.26 -4.91 105.19 100.75 1im3 n GLY 237 Ca 0.03 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.11 1im3 n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1im3 n ASP 238 N 0.00 2.73 0.00 1.61 5.68 -1.26 -4.95 116.55 120.36 1im3 n ASP 238 Ca 0.00 -2.43 0.00 0.00 -0.50 0.00 0.00 54.79 51.86 1im3 n ASP 238 Cb 0.00 -0.26 0.00 0.00 -1.14 0.00 0.00 41.12 39.72 1im3 n ASP 238 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1im3 n GLY 239 N -0.39 2.10 3.99 6.12 0.00 -1.26 -5.08 105.19 110.67 1im3 n GLY 239 Ca 0.11 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.94 1im3 n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1im3 s THR 240 N -2.48 2.48 0.30 2.61 -4.23 -1.26 -4.88 115.64 108.18 1im3 s THR 240 Ca 0.00 -1.09 0.06 0.00 -1.18 0.00 0.00 61.69 59.48 1im3 s THR 240 Cb 0.00 -2.57 -0.06 0.00 1.34 0.00 0.00 72.50 71.21 1im3 s THR 240 CO 0.00 0.00 -0.03 -0.36 -0.54 0.00 0.00 174.62 173.69 1im3 s PHE 241 N -2.53 1.98 0.05 3.99 0.08 0.73 -0.99 117.98 121.29 1im3 s PHE 241 Ca 0.55 -0.75 0.01 0.00 0.12 0.00 0.00 56.93 56.86 1im3 s PHE 241 Cb -0.07 -1.18 -0.03 0.00 -0.57 0.00 0.00 43.02 41.17 1im3 s PHE 241 CO 0.34 0.23 -0.05 -0.65 -0.10 0.00 0.00 175.22 174.98 1im3 s GLN 242 N -3.76 0.54 -0.07 0.44 -0.21 0.47 -1.82 119.66 115.25 1im3 s GLN 242 Ca 0.31 -0.91 -0.30 0.00 0.02 0.00 0.00 55.36 54.48 1im3 s GLN 242 Cb 0.05 -0.07 0.09 0.00 1.00 0.00 0.00 33.01 34.08 1im3 s GLN 242 CO 0.13 -0.02 0.79 0.21 -2.12 0.00 0.00 175.29 174.28 1im3 s LYS 243 N -2.40 0.91 0.06 2.91 2.20 -0.31 -0.84 119.74 122.27 1im3 s LYS 243 Ca -0.04 0.13 -0.03 0.00 -0.36 0.00 0.00 55.97 55.66 1im3 s LYS 243 Cb -0.04 0.43 -0.03 0.00 -1.51 0.00 0.00 37.83 36.68 1im3 s LYS 243 CO -0.03 -0.30 0.03 1.67 -0.36 0.00 0.00 175.35 176.36 1im3 s TRP 244 N -1.49 0.40 -0.01 4.03 1.48 -1.26 -0.81 118.94 121.28 1im3 s TRP 244 Ca -0.06 -0.90 0.01 0.00 -1.06 0.00 0.00 56.10 54.10 1im3 s TRP 244 Cb -0.00 -0.29 0.00 0.00 -1.16 0.00 0.00 33.47 32.02 1im3 s TRP 244 CO 0.04 -0.41 -0.05 0.00 -4.06 0.00 0.00 176.95 172.48 1im3 s ALA 245 N -3.71 0.48 0.13 2.67 0.00 -0.61 -2.66 121.76 118.06 1im3 s ALA 245 Ca 0.05 -0.16 0.08 0.00 0.00 0.00 0.00 51.96 51.92 1im3 s ALA 245 Cb 0.06 -0.19 -0.04 0.00 0.00 0.00 0.00 23.12 22.95 1im3 s ALA 245 CO -0.09 0.07 -0.18 0.00 0.00 0.00 0.00 175.76 175.56 1im3 s ALA 246 N 0.18 1.76 -0.03 0.00 0.00 0.12 0.16 121.76 123.96 1im3 s ALA 246 Ca -0.02 -1.32 -0.01 0.00 0.00 0.00 0.00 51.96 50.61 1im3 s ALA 246 Cb -0.06 -0.18 0.02 0.00 0.00 0.00 0.00 23.12 22.91 1im3 s ALA 246 CO -0.00 0.25 0.06 0.54 0.00 0.00 0.00 175.76 176.60 1im3 s VAL 247 N -1.68 -0.03 -0.23 0.00 0.11 -0.49 0.58 120.40 118.65 1im3 s VAL 247 Ca 0.09 0.12 -0.17 0.00 -2.93 0.00 0.00 61.98 59.09 1im3 s VAL 247 Cb -0.07 -0.10 -0.03 0.00 -1.53 0.00 0.00 36.38 34.64 1im3 s VAL 247 CO 0.05 0.05 0.46 -0.69 -3.33 0.00 0.00 175.10 171.63 1im3 s VAL 248 N 0.63 5.13 0.20 2.04 1.01 -0.05 -1.15 120.40 128.21 1im3 s VAL 248 Ca -0.05 0.79 0.09 0.00 0.00 0.00 0.00 61.98 62.81 1im3 s VAL 248 Cb -0.07 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 1im3 s VAL 248 CO -0.02 0.17 -0.17 0.68 0.00 0.00 0.00 175.10 175.76 1im3 s VAL 249 N 1.81 1.88 0.30 2.92 -7.23 0.11 -4.92 120.40 115.26 1im3 s VAL 249 Ca 0.20 -2.11 -0.29 0.00 -1.81 0.00 0.00 61.98 57.97 1im3 s VAL 249 Cb -0.15 -1.99 -0.10 0.00 0.56 0.00 0.00 36.38 34.70 1im3 s VAL 249 CO 0.09 -0.44 1.28 -2.84 -0.31 0.00 0.00 175.10 172.87 1im3 s PRO 250 N -3.24 4.41 0.30 4.82 0.02 -1.26 -0.32 135.00 139.72 1im3 s PRO 250 Ca 0.20 2.13 -0.30 0.00 0.02 0.00 0.00 61.00 63.05 1im3 s PRO 250 Cb -0.04 -3.11 -0.12 0.00 0.02 0.00 0.00 34.50 31.25 1im3 s PRO 250 CO 0.08 -0.13 1.41 0.43 -0.33 0.00 0.00 177.00 178.46 1im3 n SER 251 N 1.17 3.09 0.00 2.53 7.64 -0.21 -1.67 113.62 126.17 1im3 n SER 251 Ca 0.01 1.17 0.00 0.00 1.01 0.00 0.00 58.87 61.06 1im3 n SER 251 Cb 0.42 -1.50 0.00 0.00 -1.01 0.00 0.00 64.21 62.12 1im3 n SER 251 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1im3 n GLY 252 N 1.51 1.43 0.81 0.23 0.00 -1.26 -4.87 105.19 103.03 1im3 n GLY 252 Ca 0.08 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.16 1im3 n GLY 252 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1im3 n GLN 253 N -2.00 2.94 -0.29 1.61 6.02 -0.67 -4.70 117.38 120.28 1im3 n GLN 253 Ca 0.00 -2.30 0.07 0.00 -0.01 0.00 0.00 57.00 54.76 1im3 n GLN 253 Cb 0.00 -1.44 0.22 0.00 1.02 0.00 0.00 30.24 30.04 1im3 n GLN 253 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1im3 h GLU 254 N 2.31 0.56 0.00 -1.09 3.07 -1.90 -1.86 114.58 115.67 1im3 h GLU 254 Ca 0.00 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 1im3 h GLU 254 Cb 0.93 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 28.71 1im3 h GLU 254 CO 0.06 0.37 0.00 1.96 -1.40 0.00 0.00 179.01 180.00 1im3 h GLN 255 N 0.58 0.00 0.00 2.33 1.08 -1.87 -2.22 115.11 115.00 1im3 h GLN 255 Ca 0.45 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.65 1im3 h GLN 255 Cb 0.66 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.09 1im3 h GLN 255 CO -0.37 0.00 -0.03 0.00 -0.95 0.00 0.00 178.83 177.48 1im3 h ARG 256 N 0.00 0.00 -5.93 1.46 3.08 -1.71 -3.46 114.38 107.82 1im3 h ARG 256 Ca 0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.45 1im3 h ARG 256 Cb 0.05 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.04 1im3 h ARG 256 CO 0.00 0.03 -0.20 0.71 -1.07 0.00 0.00 179.97 179.44 1im3 s TYR 257 N -3.37 3.68 -0.00 3.04 1.51 -0.84 -1.18 117.35 120.20 1im3 s TYR 257 Ca 0.05 0.95 0.03 0.00 -1.01 0.00 0.00 57.07 57.09 1im3 s TYR 257 Cb 0.07 -2.33 -0.01 0.00 -0.11 0.00 0.00 41.96 39.58 1im3 s TYR 257 CO 0.63 0.55 -0.09 0.95 -1.11 0.00 0.00 175.55 176.48 1im3 s THR 258 N -0.72 0.69 -0.17 -0.71 -4.23 0.11 -4.32 115.64 106.29 1im3 s THR 258 Ca 0.24 -0.44 -0.07 0.00 -1.18 0.00 0.00 61.69 60.24 1im3 s THR 258 Cb -0.16 -0.59 -0.04 0.00 1.34 0.00 0.00 72.50 73.05 1im3 s THR 258 CO 0.12 0.15 0.06 0.00 -0.54 0.00 0.00 174.62 174.41 1im3 s HIS 260 N 0.14 2.79 -0.20 0.00 3.76 0.97 -0.50 115.29 122.24 1im3 s HIS 260 Ca 0.05 -0.88 -0.02 0.00 -0.15 0.00 0.00 55.06 54.06 1im3 s HIS 260 Cb -0.12 -1.88 -0.00 0.00 1.11 0.00 0.00 32.58 31.69 1im3 s HIS 260 CO 0.01 -0.37 -0.10 0.08 -0.85 0.00 0.00 174.74 173.51 1im3 s VAL 261 N 0.65 2.98 -0.13 -0.90 1.01 -0.05 -1.49 120.40 122.48 1im3 s VAL 261 Ca -0.07 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.28 1im3 s VAL 261 Cb -0.16 -2.32 -0.01 0.00 0.00 0.00 0.00 36.38 33.89 1im3 s VAL 261 CO 0.02 0.47 -0.15 -1.10 0.00 0.00 0.00 175.10 174.34 1im3 s GLN 262 N 1.31 3.31 -0.20 2.72 -0.21 -0.11 -1.43 119.66 125.06 1im3 s GLN 262 Ca 0.04 -0.73 -0.27 0.00 0.02 0.00 0.00 55.36 54.42 1im3 s GLN 262 Cb -0.14 -2.57 0.08 0.00 1.00 0.00 0.00 33.01 31.38 1im3 s GLN 262 CO -0.05 0.20 0.75 -1.58 -2.12 0.00 0.00 175.29 172.48 1im3 s HIS 263 N 0.38 -0.70 0.44 0.91 2.46 -1.26 -1.82 115.29 115.68 1im3 s HIS 263 Ca -0.12 1.55 0.39 0.00 0.47 0.00 0.00 55.06 57.35 1im3 s HIS 263 Cb -0.16 0.33 2.10 0.00 -0.13 0.00 0.00 32.58 34.72 1im3 s HIS 263 CO 0.06 -0.44 2.19 0.93 -2.47 0.00 0.00 174.74 175.02 1im3 h GLU 264 N 4.20 0.00 -0.11 2.88 5.08 -1.94 -1.55 114.58 123.14 1im3 h GLU 264 Ca -0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 1im3 h GLU 264 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1im3 h GLU 264 CO 0.17 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.59 1im3 n GLY 265 N -1.10 -0.28 3.47 -3.84 0.00 -1.26 -4.83 105.19 97.36 1im3 n GLY 265 Ca -0.02 -0.25 -0.33 0.00 0.00 0.00 0.00 46.02 45.41 1im3 n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1im3 s LEU 266 N -1.42 2.91 0.34 0.99 1.43 -0.58 -4.39 118.68 117.96 1im3 s LEU 266 Ca 0.25 -0.18 0.02 0.00 -1.03 0.00 0.00 54.13 53.19 1im3 s LEU 266 Cb 0.13 -1.64 0.61 0.00 0.03 0.00 0.00 46.19 45.31 1im3 s LEU 266 CO 0.20 0.27 1.98 -0.65 0.23 0.00 0.00 176.35 178.37 1im3 h PRO 267 N 5.95 0.89 -3.00 1.29 0.11 -1.88 -3.44 132.00 131.92 1im3 h PRO 267 Ca -0.38 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.59 1im3 h PRO 267 Cb 1.18 -0.20 -0.17 0.00 0.11 0.00 0.00 31.00 31.92 1im3 h PRO 267 CO 0.54 0.59 -0.13 -1.59 -0.21 0.00 0.00 178.00 177.20 1im3 s LYS 268 N -5.78 0.88 0.46 1.05 -2.85 -1.26 -5.14 119.74 107.09 1im3 s LYS 268 Ca -0.10 -0.32 -0.21 0.00 -1.00 0.00 0.00 55.97 54.33 1im3 s LYS 268 Cb 0.18 0.39 -0.11 0.00 -2.06 0.00 0.00 37.83 36.23 1im3 s LYS 268 CO 0.78 -0.29 0.61 -2.30 0.10 0.00 0.00 175.35 174.25 1im3 n PRO 269 N 0.66 0.67 -4.00 1.78 -0.02 -1.26 -4.98 135.00 127.85 1im3 n PRO 269 Ca -0.19 0.25 -0.31 0.00 -2.02 0.00 0.00 63.50 61.23 1im3 n PRO 269 Cb 0.59 -1.63 -0.06 0.00 -0.02 0.00 0.00 33.50 32.38 1im3 n PRO 269 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1im3 s LEU 270 N 1.16 4.03 -0.09 2.45 1.43 -0.51 -4.94 118.68 122.22 1im3 s LEU 270 Ca 0.65 0.12 0.02 0.00 -1.03 0.00 0.00 54.13 53.88 1im3 s LEU 270 Cb -0.55 -2.65 0.01 0.00 0.03 0.00 0.00 46.19 43.03 1im3 s LEU 270 CO 0.57 0.18 -0.13 -0.89 0.23 0.00 0.00 176.35 176.31 1im3 s THR 271 N -1.42 1.28 0.03 5.49 2.01 -1.26 -0.87 115.64 120.90 1im3 s THR 271 Ca 0.31 -0.53 0.09 0.00 0.31 0.00 0.00 61.69 61.87 1im3 s THR 271 Cb -0.12 -1.18 -0.03 0.00 0.01 0.00 0.00 72.50 71.18 1im3 s THR 271 CO 0.24 0.39 -0.26 -0.76 -0.69 0.00 0.00 174.62 173.54 1im3 s LEU 272 N 0.89 2.16 0.06 4.42 1.02 0.34 -4.95 118.68 122.62 1im3 s LEU 272 Ca -0.10 -0.57 0.04 0.00 0.02 0.00 0.00 54.13 53.53 1im3 s LEU 272 Cb -0.15 -1.30 -0.03 0.00 0.02 0.00 0.00 46.19 44.73 1im3 s LEU 272 CO 0.01 0.27 -0.11 -0.60 0.02 0.00 0.00 176.35 175.93 1im3 s ARG 273 N -1.14 0.71 0.01 1.70 3.52 -1.26 -0.68 118.95 121.81 1im3 s ARG 273 Ca 0.12 -0.90 -0.30 0.00 -0.13 0.00 0.00 55.73 54.51 1im3 s ARG 273 Cb -0.10 -0.60 -0.07 0.00 -1.56 0.00 0.00 34.95 32.63 1im3 s ARG 273 CO 0.02 0.12 1.57 -0.46 -0.81 0.00 0.00 175.30 175.74 1im3 s TRP 274 N -1.43 2.45 0.00 5.12 -0.00 -1.26 -5.01 118.94 118.80 1im3 s TRP 274 Ca -0.04 0.45 0.00 0.00 -0.00 0.00 0.00 56.10 56.51 1im3 s TRP 274 Cb -0.09 -3.85 0.00 0.00 -0.00 0.00 0.00 33.47 29.53 1im3 s TRP 274 CO 0.01 -3.38 0.00 0.39 -0.00 0.00 0.00 176.95 173.97