#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 6.49 0.23 1.61 1.04 -1.26 -3.62 113.70 118.19 1im3 s SER 2 Ca 0.00 1.13 0.02 0.00 0.48 0.00 0.00 55.95 57.58 1im3 s SER 2 Cb 0.00 -2.32 -0.05 0.00 0.10 0.00 0.00 66.02 63.75 1im3 s SER 2 CO 0.00 -0.44 0.03 -1.00 0.98 0.00 0.00 173.24 172.82 1im3 s HIS 3 N -2.44 1.50 0.02 5.02 0.09 0.37 -4.92 115.29 114.93 1im3 s HIS 3 Ca 0.51 -1.03 -0.13 0.00 -0.00 0.00 0.00 55.06 54.42 1im3 s HIS 3 Cb -0.10 -0.88 0.02 0.00 -0.00 0.00 0.00 32.58 31.61 1im3 s HIS 3 CO 0.33 -0.17 0.27 -1.54 -0.00 0.00 0.00 174.74 173.63 1im3 s SER 4 N -3.29 -0.09 -0.05 1.40 1.04 -1.26 -0.06 113.70 111.38 1im3 s SER 4 Ca 0.31 -0.16 0.05 0.00 0.48 0.00 0.00 55.95 56.62 1im3 s SER 4 Cb 0.07 0.32 -0.00 0.00 0.10 0.00 0.00 66.02 66.50 1im3 s SER 4 CO 0.10 -0.54 -0.19 -0.32 0.98 0.00 0.00 173.24 173.27 1im3 s MET 5 N -2.14 1.93 -0.03 4.02 1.75 -0.23 -0.02 119.30 124.57 1im3 s MET 5 Ca -0.08 -0.66 -0.04 0.00 -1.25 0.00 0.00 55.69 53.66 1im3 s MET 5 Cb -0.03 -1.66 0.01 0.00 2.84 0.00 0.00 34.83 35.99 1im3 s MET 5 CO -0.01 0.27 0.11 1.03 -0.65 0.00 0.00 175.02 175.77 1im3 s ARG 6 N 0.01 0.19 -0.09 4.11 1.81 0.04 -1.48 118.95 123.53 1im3 s ARG 6 Ca -0.04 0.05 0.02 0.00 -1.72 0.00 0.00 55.73 54.04 1im3 s ARG 6 Cb -0.12 0.08 -0.02 0.00 -0.45 0.00 0.00 34.95 34.45 1im3 s ARG 6 CO 0.02 -0.03 -0.14 0.71 -0.68 0.00 0.00 175.30 175.18 1im3 s TYR 7 N -0.20 2.74 -0.12 -0.53 2.02 -0.32 0.03 117.35 120.97 1im3 s TYR 7 Ca -0.03 -0.45 0.02 0.00 -0.37 0.00 0.00 57.07 56.25 1im3 s TYR 7 Cb -0.02 -1.74 0.01 0.00 -0.40 0.00 0.00 41.96 39.81 1im3 s TYR 7 CO 0.00 -0.05 -0.19 -0.06 -1.57 0.00 0.00 175.55 173.68 1im3 s PHE 8 N -0.13 2.34 -0.09 2.71 0.08 0.38 -2.56 117.98 120.72 1im3 s PHE 8 Ca -0.01 -1.11 0.03 0.00 0.12 0.00 0.00 56.93 55.95 1im3 s PHE 8 Cb -0.14 -1.62 0.01 0.00 -0.57 0.00 0.00 43.02 40.70 1im3 s PHE 8 CO 0.03 -0.52 -0.19 -0.06 -0.10 0.00 0.00 175.22 174.38 1im3 s PHE 9 N 0.80 2.18 -0.11 0.36 0.08 0.40 -1.13 117.98 120.56 1im3 s PHE 9 Ca -0.09 -0.91 0.02 0.00 0.12 0.00 0.00 56.93 56.07 1im3 s PHE 9 Cb -0.16 -1.50 0.01 0.00 -0.57 0.00 0.00 43.02 40.81 1im3 s PHE 9 CO 0.00 -0.40 -0.16 0.99 -0.10 0.00 0.00 175.22 175.55 1im3 s THR 10 N 0.53 1.58 -0.11 0.64 2.01 -0.49 -0.85 115.64 118.95 1im3 s THR 10 Ca -0.16 -0.70 0.01 0.00 0.31 0.00 0.00 61.69 61.16 1im3 s THR 10 Cb -0.17 -1.43 0.02 0.00 0.01 0.00 0.00 72.50 70.93 1im3 s THR 10 CO 0.06 0.46 -0.14 -0.55 -0.69 0.00 0.00 174.62 173.76 1im3 s SER 11 N 0.89 2.32 -0.20 3.53 0.15 -0.00 -1.08 113.70 119.32 1im3 s SER 11 Ca -0.08 -0.40 0.01 0.00 0.70 0.00 0.00 55.95 56.18 1im3 s SER 11 Cb -0.15 -1.03 0.03 0.00 -1.71 0.00 0.00 66.02 63.16 1im3 s SER 11 CO -0.00 -0.00 -0.16 -0.69 1.20 0.00 0.00 173.24 173.58 1im3 s VAL 12 N 1.06 1.97 0.55 4.45 1.01 0.17 -0.82 120.40 128.79 1im3 s VAL 12 Ca -0.06 -1.07 -0.20 0.00 0.00 0.00 0.00 61.98 60.66 1im3 s VAL 12 Cb -0.15 -1.89 -0.06 0.00 0.00 0.00 0.00 36.38 34.29 1im3 s VAL 12 CO -0.02 0.36 1.15 -0.94 0.00 0.00 0.00 175.10 175.64 1im3 s SER 13 N 1.28 5.65 -0.41 3.32 1.04 -0.34 -0.93 113.70 123.31 1im3 s SER 13 Ca 0.01 2.23 0.08 0.00 0.48 0.00 0.00 55.95 58.75 1im3 s SER 13 Cb -0.15 -2.59 0.26 0.00 0.10 0.00 0.00 66.02 63.65 1im3 s SER 13 CO -0.10 -1.27 0.57 0.54 0.98 0.00 0.00 173.24 173.96 1im3 n ARG 14 N -1.30 0.95 -1.66 4.02 1.74 -1.26 -4.21 116.66 114.92 1im3 n ARG 14 Ca 0.12 -3.40 -0.64 0.00 -0.77 0.00 0.00 57.85 53.16 1im3 n ARG 14 Cb 0.50 -1.38 -0.09 0.00 -1.02 0.00 0.00 32.46 30.47 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 1.20 0.06 -0.83 5.56 -0.02 -1.26 -0.35 135.00 139.36 1im3 n PRO 15 Ca 0.22 0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 1im3 n PRO 15 Cb 0.53 -1.53 0.00 0.00 -0.02 0.00 0.00 33.50 32.48 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 3.16 0.59 1.58 -1.23 0.00 -1.26 -4.83 105.19 103.20 1im3 n GLY 16 Ca 0.27 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.96 2.54 0.00 1.61 1.74 0.53 -5.10 116.66 116.02 1im3 n ARG 17 Ca 0.00 -3.69 0.00 0.00 -0.77 0.00 0.00 57.85 53.39 1im3 n ARG 17 Cb 0.02 -1.86 0.00 0.00 -1.02 0.00 0.00 32.46 29.60 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 -0.77 -2.27 3.67 -0.13 0.00 -1.25 -4.93 105.19 99.52 1im3 n GLY 18 Ca 0.30 -1.85 -0.34 0.00 0.00 0.00 0.00 46.02 44.14 1im3 n GLY 18 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1im3 n GLU 19 N -0.09 0.16 -1.92 1.61 -0.58 -1.26 -4.50 120.64 114.06 1im3 n GLU 19 Ca 0.00 0.13 -0.36 0.00 -0.42 0.00 0.00 57.16 56.51 1im3 n GLU 19 Cb 0.00 -2.39 0.04 0.00 -0.57 0.00 0.00 31.44 28.53 1im3 n GLU 19 CO 0.00 0.00 0.00 -2.14 -0.48 0.00 0.00 177.13 174.51 1im3 s PRO 20 N -4.04 2.86 -0.15 3.49 0.02 -1.26 -4.62 135.00 131.31 1im3 s PRO 20 Ca 0.72 1.93 -0.29 0.00 0.02 0.00 0.00 61.00 63.38 1im3 s PRO 20 Cb -0.29 -1.93 -0.01 0.00 0.02 0.00 0.00 34.50 32.30 1im3 s PRO 20 CO 0.52 -1.32 0.99 0.50 -0.33 0.00 0.00 177.00 177.36 1im3 s ARG 21 N -3.31 4.36 -0.14 5.54 6.06 -0.11 -4.84 118.95 126.52 1im3 s ARG 21 Ca 0.79 1.34 0.02 0.00 -2.50 0.00 0.00 55.73 55.37 1im3 s ARG 21 Cb -0.33 -3.57 0.01 0.00 0.06 0.00 0.00 34.95 31.11 1im3 s ARG 21 CO 0.36 -0.40 -0.21 0.12 -2.50 0.00 0.00 175.30 172.66 1im3 s PHE 22 N 2.36 2.68 -0.10 5.12 5.36 -1.26 -0.66 117.98 131.48 1im3 s PHE 22 Ca 0.46 -1.29 0.01 0.00 -0.96 0.00 0.00 56.93 55.15 1im3 s PHE 22 Cb -0.17 -1.82 0.02 0.00 -0.34 0.00 0.00 43.02 40.71 1im3 s PHE 22 CO 0.14 -0.59 -0.13 0.42 -1.46 0.00 0.00 175.22 173.60 1im3 s ILE 23 N 0.79 1.32 -0.03 3.12 -1.09 -0.24 -0.92 121.20 124.14 1im3 s ILE 23 Ca -0.07 -0.53 0.07 0.00 -2.23 0.00 0.00 60.65 57.88 1im3 s ILE 23 Cb -0.16 -1.23 -0.02 0.00 -1.58 0.00 0.00 42.46 39.48 1im3 s ILE 23 CO -0.01 0.41 -0.24 0.00 -1.23 0.00 0.00 174.94 173.86 1im3 s ALA 24 N 1.08 2.06 0.03 9.38 0.00 0.25 -1.40 121.76 133.15 1im3 s ALA 24 Ca -0.06 -1.04 0.02 0.00 0.00 0.00 0.00 51.96 50.88 1im3 s ALA 24 Cb -0.15 -0.56 -0.02 0.00 0.00 0.00 0.00 23.12 22.40 1im3 s ALA 24 CO -0.02 0.47 -0.06 0.14 0.00 0.00 0.00 175.76 176.29 1im3 s VAL 25 N -0.45 0.42 -0.04 0.00 -7.23 -0.28 -1.03 120.40 111.79 1im3 s VAL 25 Ca 0.06 -0.91 0.07 0.00 -1.81 0.00 0.00 61.98 59.38 1im3 s VAL 25 Cb -0.11 -0.49 -0.02 0.00 0.56 0.00 0.00 36.38 36.33 1im3 s VAL 25 CO 0.00 -0.34 -0.25 -0.83 -0.31 0.00 0.00 175.10 173.38 1im3 s GLY 26 N -1.34 1.25 0.07 2.32 0.00 -0.64 -0.47 107.32 108.50 1im3 s GLY 26 Ca -0.10 -1.06 0.05 0.00 0.00 0.00 0.00 44.72 43.62 1im3 s GLY 26 CO 0.00 -0.78 -0.14 -0.19 0.00 0.00 0.00 173.10 171.99 1im3 s TYR 27 N -0.39 1.22 -0.20 1.90 1.51 0.10 -0.46 117.35 121.02 1im3 s TYR 27 Ca 0.04 -0.44 0.01 0.00 -1.01 0.00 0.00 57.07 55.67 1im3 s TYR 27 Cb -0.11 -0.69 0.04 0.00 -0.11 0.00 0.00 41.96 41.08 1im3 s TYR 27 CO 0.01 0.05 -0.14 0.08 -1.11 0.00 0.00 175.55 174.45 1im3 s VAL 28 N -1.20 1.89 0.00 0.71 1.01 -0.28 -0.78 120.40 121.75 1im3 s VAL 28 Ca -0.01 -1.10 0.00 0.00 0.00 0.00 0.00 61.98 60.86 1im3 s VAL 28 Cb -0.10 -1.87 0.00 0.00 0.00 0.00 0.00 36.38 34.41 1im3 s VAL 28 CO 0.02 0.26 0.00 0.47 0.00 0.00 0.00 175.10 175.85 1im3 n ASP 29 N 4.61 0.00 -1.38 3.32 8.00 0.97 -0.70 116.55 131.36 1im3 n ASP 29 Ca -0.17 0.00 0.06 0.00 0.71 0.00 0.00 54.79 55.39 1im3 n ASP 29 Cb 0.47 0.00 0.28 0.00 -0.02 0.00 0.00 41.12 41.85 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 4.42 4.06 -4.22 -2.24 8.00 -1.26 -4.87 116.55 120.43 1im3 n ASP 30 Ca 0.00 -2.51 -0.34 0.00 0.71 0.00 0.00 54.79 52.65 1im3 n ASP 30 Cb 0.00 -0.57 -0.15 0.00 -0.02 0.00 0.00 41.12 40.38 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 -2.04 2.77 0.25 -3.53 2.01 0.12 -5.03 115.64 110.20 1im3 s THR 31 Ca 0.39 -0.72 -0.30 0.00 0.31 0.00 0.00 61.69 61.37 1im3 s THR 31 Cb 0.27 -2.23 -0.09 0.00 0.01 0.00 0.00 72.50 70.46 1im3 s THR 31 CO 0.15 0.46 1.14 -1.58 -0.69 0.00 0.00 174.62 174.10 1im3 s GLN 32 N 1.39 4.58 0.00 4.92 0.74 -1.26 -1.13 119.66 128.90 1im3 s GLN 32 Ca 0.05 1.84 0.00 0.00 0.05 0.00 0.00 55.36 57.30 1im3 s GLN 32 Cb -0.14 -3.21 0.00 0.00 1.10 0.00 0.00 33.01 30.77 1im3 s GLN 32 CO -0.08 0.09 0.00 1.97 -0.55 0.00 0.00 175.29 176.73 1im3 n PHE 33 N 1.64 0.00 -4.02 1.67 -1.74 0.39 -4.01 117.46 111.39 1im3 n PHE 33 Ca 0.01 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.81 1im3 n PHE 33 Cb 0.45 0.00 -0.08 0.00 1.52 0.00 0.00 39.48 41.36 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 -1.39 0.11 0.07 1.97 -7.23 -1.22 -0.18 120.40 112.54 1im3 s VAL 34 Ca 0.00 -1.56 -0.26 0.00 -1.81 0.00 0.00 61.98 58.35 1im3 s VAL 34 Cb 0.00 -1.76 0.08 0.00 0.56 0.00 0.00 36.38 35.26 1im3 s VAL 34 CO 0.00 -0.51 0.69 0.00 -0.31 0.00 0.00 175.10 174.96 1im3 s ARG 35 N -3.96 1.12 -0.06 4.82 1.04 -0.53 -1.63 118.95 119.75 1im3 s ARG 35 Ca 0.15 -0.26 -0.03 0.00 -1.04 0.00 0.00 55.73 54.55 1im3 s ARG 35 Cb 0.06 0.52 0.03 0.00 -2.04 0.00 0.00 34.95 33.51 1im3 s ARG 35 CO -0.03 -0.46 0.14 0.12 -0.04 0.00 0.00 175.30 175.03 1im3 s PHE 36 N -3.00 -0.16 -0.19 5.89 5.36 -0.20 -0.48 117.98 125.20 1im3 s PHE 36 Ca -0.01 0.45 -0.01 0.00 -0.96 0.00 0.00 56.93 56.40 1im3 s PHE 36 Cb -0.01 -0.04 0.05 0.00 -0.34 0.00 0.00 43.02 42.68 1im3 s PHE 36 CO -0.07 -0.14 -0.04 0.34 -1.46 0.00 0.00 175.22 173.86 1im3 s ASP 37 N 0.81 3.09 0.62 6.13 -1.08 -1.26 -0.58 116.67 124.40 1im3 s ASP 37 Ca -0.06 -0.81 0.31 0.00 -0.52 0.00 0.00 52.55 51.47 1im3 s ASP 37 Cb -0.08 -0.92 1.72 0.00 -1.46 0.00 0.00 42.92 42.18 1im3 s ASP 37 CO -0.04 -0.22 2.05 0.77 0.52 0.00 0.00 175.17 178.25 1im3 h SER 38 N 8.10 0.00 0.29 -0.34 4.64 -1.42 -0.55 113.55 124.27 1im3 h SER 38 Ca -0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 1im3 h SER 38 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 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 -3.42 0.71 -4.83 4.97 9.92 -1.26 -4.95 116.55 117.69 1im3 n ASP 39 Ca 0.01 -0.57 -0.31 0.00 -0.53 0.00 0.00 54.79 53.40 1im3 n ASP 39 Cb 0.37 0.58 0.05 0.00 -0.64 0.00 0.00 41.12 41.48 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 -3.00 2.67 0.17 2.24 0.00 -0.22 -4.98 121.76 118.64 1im3 s ALA 40 Ca 0.10 -0.10 0.01 0.00 0.00 0.00 0.00 51.96 51.97 1im3 s ALA 40 Cb 0.17 -3.11 0.02 0.00 0.00 0.00 0.00 23.12 20.20 1im3 s ALA 40 CO 0.77 -1.26 1.40 0.00 0.00 0.00 0.00 175.76 176.67 1im3 h ALA 41 N -0.75 0.55 -0.87 0.00 0.00 -1.92 -3.32 119.26 112.95 1im3 h ALA 41 Ca -0.45 -0.69 0.05 0.00 0.00 0.00 0.00 54.91 53.82 1im3 h ALA 41 Cb 1.23 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.90 1im3 h ALA 41 CO 0.60 0.86 0.55 0.66 0.00 0.00 0.00 179.25 181.92 1im3 h SER 42 N 0.15 0.90 -4.37 0.00 4.64 -1.93 -3.46 113.55 109.48 1im3 h SER 42 Ca -0.04 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.87 1im3 h SER 42 Cb 1.44 -0.19 0.05 0.00 -0.31 0.00 0.00 62.40 63.39 1im3 h SER 42 CO 0.13 0.60 -0.60 0.00 -0.87 0.00 0.00 176.83 176.09 1im3 n GLN 43 N -4.57 -4.55 -4.11 4.77 1.13 -1.25 -4.99 117.38 103.80 1im3 n GLN 43 Ca 0.12 0.91 -0.12 0.00 -1.94 0.00 0.00 57.00 55.97 1im3 n GLN 43 Cb 0.13 -5.75 -0.11 0.00 0.11 0.00 0.00 30.24 24.62 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 -5.65 0.67 0.15 -1.09 0.52 -1.26 -5.04 118.95 107.25 1im3 s ARG 44 Ca 0.28 -1.02 -0.31 0.00 -0.52 0.00 0.00 55.73 54.16 1im3 s ARG 44 Cb -0.12 -0.26 -0.08 0.00 0.52 0.00 0.00 34.95 35.01 1im3 s ARG 44 CO 0.34 0.02 1.38 1.41 0.02 0.00 0.00 175.30 178.47 1im3 s MET 45 N -2.59 4.33 0.13 3.54 -2.45 -1.26 -4.70 119.30 116.30 1im3 s MET 45 Ca -0.00 2.10 0.10 0.00 -1.25 0.00 0.00 55.69 56.64 1im3 s MET 45 Cb -0.03 -3.22 -0.04 0.00 1.25 0.00 0.00 34.83 32.79 1im3 s MET 45 CO -0.02 -0.40 -0.20 -1.21 1.05 0.00 0.00 175.02 174.24 1im3 s GLU 46 N 0.71 1.68 0.28 4.11 2.02 0.36 -4.91 118.70 122.95 1im3 s GLU 46 Ca 0.63 -1.27 -0.29 0.00 0.02 0.00 0.00 54.97 54.06 1im3 s GLU 46 Cb -0.37 -2.03 -0.09 0.00 0.10 0.00 0.00 34.13 31.73 1im3 s GLU 46 CO 0.33 0.46 1.02 -1.25 0.02 0.00 0.00 175.26 175.84 1im3 s PRO 47 N -2.24 4.66 0.00 0.39 0.04 -1.26 -1.45 135.00 135.13 1im3 s PRO 47 Ca 0.18 1.61 0.00 0.00 0.04 0.00 0.00 61.00 62.83 1im3 s PRO 47 Cb -0.10 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.34 1im3 s PRO 47 CO 0.09 0.29 0.35 0.54 0.04 0.00 0.00 177.00 178.31 1im3 n ARG 48 N 1.08 -0.11 -4.10 4.56 5.12 0.74 -4.89 116.66 119.06 1im3 n ARG 48 Ca -0.00 -0.40 -0.15 0.00 -1.93 0.00 0.00 57.85 55.37 1im3 n ARG 48 Cb 0.47 -0.75 -0.14 0.00 -1.16 0.00 0.00 32.46 30.87 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 -0.10 0.35 0.23 7.54 0.00 -1.22 -4.71 121.76 123.84 1im3 s ALA 49 Ca 0.00 -0.20 -0.07 0.00 0.00 0.00 0.00 51.96 51.69 1im3 s ALA 49 Cb 0.00 -0.08 0.31 0.00 0.00 0.00 0.00 23.12 23.35 1im3 s ALA 49 CO 0.00 0.08 1.82 -1.35 0.00 0.00 0.00 175.76 176.31 1im3 h PRO 50 N 5.98 0.75 0.00 0.00 0.11 -1.94 -2.56 132.00 134.35 1im3 h PRO 50 Ca -0.27 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1im3 h PRO 50 Cb 1.20 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1im3 h PRO 50 CO 0.50 0.50 0.00 0.11 -0.21 0.00 0.00 178.00 178.90 1im3 h TRP 51 N 0.78 0.00 0.00 0.65 5.08 -1.97 -2.17 115.95 118.32 1im3 h TRP 51 Ca 0.35 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.32 1im3 h TRP 51 Cb 0.24 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.40 1im3 h TRP 51 CO -0.06 0.00 -0.77 0.97 -1.28 0.00 0.00 178.44 177.30 1im3 h ILE 52 N 0.00 0.00 0.00 0.12 6.09 -1.80 -3.31 117.51 118.61 1im3 h ILE 52 Ca 0.00 -0.67 0.00 0.00 -1.37 0.00 0.00 64.86 62.82 1im3 h ILE 52 Cb 0.16 1.21 0.00 0.00 0.47 0.00 0.00 36.82 38.66 1im3 h ILE 52 CO 0.00 0.00 0.00 -0.62 -3.07 0.00 0.00 178.15 174.46 1im3 n GLU 53 N -2.31 0.15 -0.00 2.19 1.02 -0.82 -2.04 120.64 118.84 1im3 n GLU 53 Ca 0.02 0.45 0.12 0.00 -0.02 0.00 0.00 57.16 57.73 1im3 n GLU 53 Cb 0.48 -1.83 0.71 0.00 -0.02 0.00 0.00 31.44 30.78 1im3 n GLU 53 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1im3 n GLN 54 N -2.13 1.06 -2.82 3.49 10.64 -1.25 -4.79 117.38 121.58 1im3 n GLN 54 Ca 0.02 -0.09 -0.40 0.00 -1.83 0.00 0.00 57.00 54.69 1im3 n GLN 54 Cb 0.18 -1.39 -0.06 0.00 -0.86 0.00 0.00 30.24 28.10 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 -1.99 4.76 1.12 2.61 0.41 -0.86 -5.05 118.70 119.70 1im3 s GLU 55 Ca 0.37 1.38 -0.18 0.00 -0.41 0.00 0.00 54.97 56.13 1im3 s GLU 55 Cb 0.17 -3.28 0.25 0.00 -1.78 0.00 0.00 34.13 29.50 1im3 s GLU 55 CO 0.29 0.52 1.17 0.20 -0.49 0.00 0.00 175.26 176.95 1im3 s GLY 56 N -1.09 1.64 0.40 -1.39 0.00 -1.26 -4.85 107.32 100.76 1im3 s GLY 56 Ca 0.40 -1.00 0.10 0.00 0.00 0.00 0.00 44.72 44.21 1im3 s GLY 56 CO 0.30 -0.17 1.96 -2.55 0.00 0.00 0.00 173.10 172.64 1im3 h PRO 57 N -2.26 0.57 -0.28 2.90 0.11 -1.98 -1.69 132.00 129.36 1im3 h PRO 57 Ca -0.45 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.52 1im3 h PRO 57 Cb 1.28 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1im3 h PRO 57 CO 0.36 0.37 -0.29 0.93 -0.21 0.00 0.00 178.00 179.17 1im3 h GLU 58 N 0.58 0.56 0.10 1.05 3.07 -1.99 -1.33 114.58 116.63 1im3 h GLU 58 Ca 0.31 -0.23 -0.00 0.00 -0.50 0.00 0.00 59.36 58.93 1im3 h GLU 58 Cb 0.44 -0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 28.33 1im3 h GLU 58 CO -0.10 0.79 -0.06 -0.92 -1.40 0.00 0.00 179.01 177.32 1im3 h TYR 59 N 0.49 -0.16 -0.47 4.33 3.20 -1.66 -0.32 116.97 122.38 1im3 h TYR 59 Ca 0.06 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.86 1im3 h TYR 59 Cb 0.75 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 39.05 1im3 h TYR 59 CO 0.03 -0.10 0.00 -1.49 -1.64 0.00 0.00 178.16 174.96 1im3 h TRP 60 N -0.16 0.82 -0.44 -3.82 4.06 -1.35 0.36 115.95 115.42 1im3 h TRP 60 Ca -0.01 -0.11 -0.14 0.00 2.06 0.00 0.00 58.89 60.69 1im3 h TRP 60 Cb 0.13 -0.23 -0.01 0.00 -1.00 0.00 0.00 29.16 28.05 1im3 h TRP 60 CO -0.08 0.76 -0.28 -0.44 -3.56 0.00 0.00 178.44 174.84 1im3 h ASP 61 N 0.72 1.01 -0.20 -3.49 3.32 -1.09 -1.11 116.42 115.58 1im3 h ASP 61 Ca 0.14 -0.41 -0.02 0.00 0.02 0.00 0.00 57.03 56.76 1im3 h ASP 61 Cb 0.44 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 1im3 h ASP 61 CO 0.02 1.21 0.03 1.23 -1.72 0.00 0.00 179.24 180.01 1im3 h GLY 62 N 0.84 0.36 1.51 2.75 0.00 -0.64 -1.62 103.07 106.27 1im3 h GLY 62 Ca 0.09 -0.24 -0.09 0.00 0.00 0.00 0.00 47.33 47.09 1im3 h GLY 62 CO 0.08 0.22 -0.18 0.83 0.00 0.00 0.00 176.54 177.49 1im3 h GLU 63 N 0.12 0.58 -0.24 4.80 4.39 -0.91 0.04 114.58 123.35 1im3 h GLU 63 Ca 0.06 -0.20 -0.02 0.00 0.34 0.00 0.00 59.36 59.54 1im3 h GLU 63 Cb 0.32 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 1im3 h GLU 63 CO 0.00 0.73 0.07 1.15 -1.16 0.00 0.00 179.01 179.80 1im3 h THR 64 N 0.52 1.20 -0.20 1.13 2.02 -1.13 0.18 112.91 116.64 1im3 h THR 64 Ca 0.09 -0.64 -0.01 0.00 0.77 0.00 0.00 66.41 66.61 1im3 h THR 64 Cb 0.60 1.16 -0.01 0.00 -1.74 0.00 0.00 68.15 68.16 1im3 h THR 64 CO 0.04 0.21 0.09 -0.09 0.37 0.00 0.00 175.52 176.13 1im3 h ARG 65 N 0.22 0.30 -0.63 6.66 2.43 -1.03 -1.43 114.38 120.92 1im3 h ARG 65 Ca 0.08 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.13 1im3 h ARG 65 Cb 0.25 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.73 1im3 h ARG 65 CO -0.00 0.35 0.15 0.87 -1.51 0.00 0.00 179.97 179.83 1im3 h LYS 66 N 0.18 1.01 -0.44 0.20 1.57 -0.86 -1.44 116.57 116.77 1im3 h LYS 66 Ca 0.07 -0.24 -0.11 0.00 -1.87 0.00 0.00 60.65 58.49 1im3 h LYS 66 Cb 0.16 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 1im3 h LYS 66 CO -0.01 0.91 -0.17 -0.24 -0.57 0.00 0.00 179.45 179.38 1im3 h VAL 67 N 0.92 1.27 -0.72 0.50 3.04 -0.53 -0.86 116.25 119.88 1im3 h VAL 67 Ca 0.20 -1.28 -0.03 0.00 -1.01 0.00 0.00 66.70 64.57 1im3 h VAL 67 Cb 0.36 1.10 -0.03 0.00 -2.01 0.00 0.00 31.29 30.71 1im3 h VAL 67 CO 0.00 0.44 0.32 0.11 -1.01 0.00 0.00 177.57 177.43 1im3 h LYS 68 N 0.75 1.03 -0.63 4.17 1.57 -1.13 -0.34 116.57 122.00 1im3 h LYS 68 Ca 0.11 -0.16 -0.08 0.00 -1.87 0.00 0.00 60.65 58.66 1im3 h LYS 68 Cb 0.69 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.79 1im3 h LYS 68 CO 0.05 0.82 0.08 0.00 -0.57 0.00 0.00 179.45 179.83 1im3 h ALA 69 N 1.32 0.95 -0.76 3.86 0.00 -0.53 -1.41 119.26 122.69 1im3 h ALA 69 Ca 0.24 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1im3 h ALA 69 Cb 0.14 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1im3 h ALA 69 CO -0.03 0.65 0.39 0.45 0.00 0.00 0.00 179.25 180.72 1im3 h HIS 70 N 0.98 1.06 -0.67 0.00 3.86 -0.43 -1.46 115.15 118.49 1im3 h HIS 70 Ca 0.19 -0.03 0.04 0.00 -1.16 0.00 0.00 60.37 59.41 1im3 h HIS 70 Cb 0.45 -0.34 -0.05 0.00 1.06 0.00 0.00 27.41 28.54 1im3 h HIS 70 CO 0.03 0.75 0.40 1.03 0.86 0.00 0.00 177.93 181.01 1im3 h SER 71 N 1.07 0.64 0.21 2.45 0.87 -0.32 -2.02 113.55 116.45 1im3 h SER 71 Ca 0.27 0.01 -0.21 0.00 -1.23 0.00 0.00 61.79 60.63 1im3 h SER 71 Cb 0.07 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 61.90 1im3 h SER 71 CO -0.04 0.44 -0.82 1.56 -0.53 0.00 0.00 176.83 177.44 1im3 h GLN 72 N 0.78 0.48 -0.36 2.24 1.08 -0.64 -2.20 115.11 116.50 1im3 h GLN 72 Ca 0.28 -0.44 -0.09 0.00 -1.45 0.00 0.00 58.65 56.96 1im3 h GLN 72 Cb 0.08 0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.60 1im3 h GLN 72 CO -0.13 1.07 -0.15 1.79 -0.95 0.00 0.00 178.83 180.46 1im3 h THR 73 N 0.31 1.25 -0.03 -0.54 1.35 -1.10 -2.29 112.91 111.87 1im3 h THR 73 Ca -0.05 -1.17 -0.09 0.00 -0.55 0.00 0.00 66.41 64.55 1im3 h THR 73 Cb 1.42 1.15 -0.01 0.00 -1.73 0.00 0.00 68.15 68.98 1im3 h THR 73 CO 0.15 0.39 -0.39 0.45 -0.25 0.00 0.00 175.52 175.87 1im3 h HIS 74 N 0.59 0.07 -0.58 4.73 3.86 -1.26 0.12 115.15 122.67 1im3 h HIS 74 Ca 0.10 -0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.23 1im3 h HIS 74 Cb 0.60 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 29.03 1im3 h HIS 74 CO 0.03 0.44 0.11 -0.09 0.86 0.00 0.00 177.93 179.27 1im3 h ARG 75 N 0.05 0.95 -0.44 2.45 2.43 -0.93 -1.77 114.38 117.12 1im3 h ARG 75 Ca 0.00 -0.25 -0.11 0.00 -0.81 0.00 0.00 59.98 58.82 1im3 h ARG 75 Cb 0.71 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.13 1im3 h ARG 75 CO 0.05 0.89 -0.16 0.28 -1.51 0.00 0.00 179.97 179.53 1im3 h VAL 76 N 0.85 1.27 -0.60 0.20 2.07 -0.88 -3.19 116.25 115.97 1im3 h VAL 76 Ca 0.18 -1.29 0.07 0.00 0.82 0.00 0.00 66.70 66.48 1im3 h VAL 76 Cb 0.39 1.18 -0.06 0.00 -1.52 0.00 0.00 31.29 31.28 1im3 h VAL 76 CO 0.01 0.44 0.28 0.44 0.02 0.00 0.00 177.57 178.76 1im3 h ASP 77 N 0.72 0.36 -0.97 0.57 3.32 -0.42 -1.20 116.42 118.79 1im3 h ASP 77 Ca 0.11 0.05 0.11 0.00 0.02 0.00 0.00 57.03 57.31 1im3 h ASP 77 Cb 0.71 -0.01 -0.08 0.00 0.22 0.00 0.00 39.33 40.17 1im3 h ASP 77 CO 0.05 0.23 0.61 -0.07 -1.72 0.00 0.00 179.24 178.34 1im3 h LEU 78 N 0.51 0.91 -0.31 1.55 3.38 -1.31 0.28 115.31 120.32 1im3 h LEU 78 Ca 0.29 0.04 -0.13 0.00 0.09 0.00 0.00 57.88 58.17 1im3 h LEU 78 Cb 0.27 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1im3 h LEU 78 CO -0.23 0.50 -0.30 1.23 0.09 0.00 0.00 178.44 179.74 1im3 h GLY 79 N 0.99 0.81 1.00 0.83 0.00 -1.42 -1.28 103.07 104.01 1im3 h GLY 79 Ca 0.47 -0.83 -0.03 0.00 0.00 0.00 0.00 47.33 46.95 1im3 h GLY 79 CO -0.25 0.75 0.29 -0.84 0.00 0.00 0.00 176.54 176.49 1im3 h THR 80 N 0.51 1.22 -0.32 4.70 2.02 -0.11 -2.28 112.91 118.65 1im3 h THR 80 Ca 0.05 -0.64 -0.16 0.00 0.77 0.00 0.00 66.41 66.43 1im3 h THR 80 Cb 0.87 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 1im3 h THR 80 CO 0.07 0.26 -0.43 -0.07 0.37 0.00 0.00 175.52 175.72 1im3 h LEU 81 N 0.87 0.86 -1.36 2.58 3.38 -0.42 -0.50 115.31 120.73 1im3 h LEU 81 Ca 0.21 -0.41 0.03 0.00 0.09 0.00 0.00 57.88 57.81 1im3 h LEU 81 Cb 0.14 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 1im3 h LEU 81 CO -0.02 1.17 0.46 -0.09 0.09 0.00 0.00 178.44 180.04 1im3 h ARG 82 N 0.65 0.81 0.27 1.13 2.43 -1.09 -1.57 114.38 117.01 1im3 h ARG 82 Ca 0.04 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 1im3 h ARG 82 Cb 1.00 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.37 1im3 h ARG 82 CO 0.10 0.54 -0.13 0.78 -1.51 0.00 0.00 179.97 179.75 1im3 h GLY 83 N 0.84 -0.37 0.65 2.80 0.00 -0.89 0.12 103.07 106.21 1im3 h GLY 83 Ca 0.28 0.14 0.17 0.00 0.00 0.00 0.00 47.33 47.91 1im3 h GLY 83 CO -0.08 -0.14 0.50 -0.97 0.00 0.00 0.00 176.54 175.86 1im3 h TYR 84 N -0.78 0.33 -0.60 5.60 0.05 -0.69 -0.05 116.97 120.85 1im3 h TYR 84 Ca -0.04 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.75 1im3 h TYR 84 Cb 0.50 -0.10 0.00 0.00 1.01 0.00 0.00 36.73 38.14 1im3 h TYR 84 CO 0.04 0.12 0.00 0.66 -1.05 0.00 0.00 178.16 177.93 1im3 n TYR 85 N -4.44 1.22 -4.12 4.88 4.01 -0.63 -4.91 117.16 113.18 1im3 n TYR 85 Ca 0.14 -0.60 -0.31 0.00 -0.16 0.00 0.00 57.90 56.98 1im3 n TYR 85 Cb 0.61 -0.18 -0.05 0.00 -0.31 0.00 0.00 39.34 39.41 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 1.01 -0.44 -4.97 7.72 3.02 -0.03 -4.94 115.26 116.63 1im3 n ASN 86 Ca 0.23 -1.17 -0.21 0.00 -0.03 0.00 0.00 54.58 53.41 1im3 n ASN 86 Cb 0.78 -2.24 -0.02 0.00 -0.61 0.00 0.00 39.78 37.69 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 -7.01 3.44 0.69 3.52 -0.21 0.37 -5.04 119.66 115.42 1im3 s GLN 87 Ca 0.08 -0.75 -0.16 0.00 0.02 0.00 0.00 55.36 54.55 1im3 s GLN 87 Cb -0.04 -2.88 0.01 0.00 1.00 0.00 0.00 33.01 31.10 1im3 s GLN 87 CO 0.95 0.42 1.24 0.45 -2.12 0.00 0.00 175.29 176.23 1im3 s SER 88 N -3.98 4.41 0.00 5.90 0.15 -1.26 -4.79 113.70 114.13 1im3 s SER 88 Ca 0.34 2.47 0.27 0.00 0.70 0.00 0.00 55.95 59.73 1im3 s SER 88 Cb -0.09 -2.60 1.50 0.00 -1.71 0.00 0.00 66.02 63.11 1im3 s SER 88 CO 0.29 -2.12 1.98 1.21 1.20 0.00 0.00 173.24 175.80 1im3 n GLU 89 N -2.32 1.14 -0.03 5.44 4.07 -1.26 -3.87 120.64 123.81 1im3 n GLU 89 Ca 0.14 -0.21 0.03 0.00 -0.06 0.00 0.00 57.16 57.07 1im3 n GLU 89 Cb 0.49 -1.43 -0.14 0.00 -0.06 0.00 0.00 31.44 30.30 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 -0.69 2.30 -1.83 4.31 0.00 -1.26 -4.86 120.51 118.48 1im3 n ALA 90 Ca 0.20 -0.65 -0.31 0.00 0.00 0.00 0.00 53.44 52.68 1im3 n ALA 90 Cb 0.15 -0.44 0.00 0.00 0.00 0.00 0.00 19.45 19.16 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 -4.39 1.76 -0.15 0.00 0.00 -1.25 -4.63 107.32 98.65 1im3 s GLY 91 Ca -0.07 -0.00 -0.20 0.00 0.00 0.00 0.00 44.72 44.45 1im3 s GLY 91 CO 0.72 0.27 0.57 -0.45 0.00 0.00 0.00 173.10 174.22 1im3 s SER 92 N -3.87 6.71 0.20 1.64 0.15 -1.26 -4.64 113.70 112.63 1im3 s SER 92 Ca 0.56 0.85 0.09 0.00 0.70 0.00 0.00 55.95 58.15 1im3 s SER 92 Cb -0.11 -2.33 -0.05 0.00 -1.71 0.00 0.00 66.02 61.83 1im3 s SER 92 CO 0.49 -0.14 -0.17 -1.00 1.20 0.00 0.00 173.24 173.62 1im3 s HIS 93 N 1.27 1.84 -0.15 3.44 3.76 -1.26 -4.94 115.29 119.25 1im3 s HIS 93 Ca 0.28 -0.50 0.02 0.00 -0.15 0.00 0.00 55.06 54.71 1im3 s HIS 93 Cb -0.16 -0.87 0.02 0.00 1.11 0.00 0.00 32.58 32.68 1im3 s HIS 93 CO 0.11 0.40 -0.19 0.99 -0.85 0.00 0.00 174.74 175.20 1im3 s THR 94 N -2.53 1.90 -0.13 1.30 2.01 -1.26 -1.20 115.64 115.74 1im3 s THR 94 Ca 0.21 -0.86 -0.02 0.00 0.31 0.00 0.00 61.69 61.32 1im3 s THR 94 Cb -0.03 -1.71 -0.03 0.00 0.01 0.00 0.00 72.50 70.74 1im3 s THR 94 CO 0.08 0.52 -0.06 0.54 -0.69 0.00 0.00 174.62 175.00 1im3 s VAL 95 N 1.09 3.68 0.08 3.82 0.11 -0.00 -0.67 120.40 128.51 1im3 s VAL 95 Ca -0.01 -0.45 0.08 0.00 -2.93 0.00 0.00 61.98 58.67 1im3 s VAL 95 Cb -0.14 -2.57 -0.03 0.00 -1.53 0.00 0.00 36.38 32.10 1im3 s VAL 95 CO -0.07 0.53 -0.21 -1.10 -3.33 0.00 0.00 175.10 170.93 1im3 s GLN 96 N 0.04 1.19 -0.02 1.54 -0.21 -0.23 -0.82 119.66 121.15 1im3 s GLN 96 Ca -0.01 -1.09 -0.03 0.00 0.02 0.00 0.00 55.36 54.25 1im3 s GLN 96 Cb -0.14 -1.41 0.00 0.00 1.00 0.00 0.00 33.01 32.47 1im3 s GLN 96 CO 0.03 0.34 0.07 0.50 -2.12 0.00 0.00 175.29 174.11 1im3 s ARG 97 N -1.69 0.19 -0.06 2.91 3.52 -0.03 -1.00 118.95 122.79 1im3 s ARG 97 Ca 0.06 -0.09 -0.05 0.00 -0.13 0.00 0.00 55.73 55.53 1im3 s ARG 97 Cb -0.10 0.08 0.02 0.00 -1.56 0.00 0.00 34.95 33.39 1im3 s ARG 97 CO 0.03 -0.03 0.15 1.41 -0.81 0.00 0.00 175.30 176.05 1im3 s MET 98 N -0.43 0.16 0.11 5.12 1.75 -0.14 -0.45 119.30 125.43 1im3 s MET 98 Ca -0.05 0.23 -0.15 0.00 -1.25 0.00 0.00 55.69 54.46 1im3 s MET 98 Cb -0.03 0.05 0.03 0.00 2.84 0.00 0.00 34.83 37.72 1im3 s MET 98 CO 0.00 -0.04 0.38 1.52 -0.65 0.00 0.00 175.02 176.23 1im3 s TYR 99 N 0.22 -0.17 -4.96 4.11 -0.85 -1.06 -0.82 117.35 113.81 1im3 s TYR 99 Ca -0.01 -0.14 0.00 0.00 -0.52 0.00 0.00 57.07 56.40 1im3 s TYR 99 Cb -0.02 0.22 0.00 0.00 0.38 0.00 0.00 41.96 42.54 1im3 s TYR 99 CO -0.01 -0.67 0.00 0.41 -1.52 0.00 0.00 175.55 173.76 1im3 n GLY 100 N -0.15 -2.27 3.19 5.49 0.00 -0.83 -1.17 105.19 109.44 1im3 n GLY 100 Ca -0.16 -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 -3.07 2.36 0.11 0.00 1.01 0.17 -1.07 116.67 116.18 1im3 s ASP 102 Ca 0.15 -0.38 0.08 0.00 0.71 0.00 0.00 52.55 53.11 1im3 s ASP 102 Cb 0.05 -0.26 -0.04 0.00 1.01 0.00 0.00 42.92 43.69 1im3 s ASP 102 CO -0.03 0.24 -0.20 0.68 0.21 0.00 0.00 175.17 176.07 1im3 s VAL 103 N -0.50 1.70 0.91 -1.27 -7.23 0.91 0.01 120.40 114.93 1im3 s VAL 103 Ca 0.08 -1.59 -0.11 0.00 -1.81 0.00 0.00 61.98 58.54 1im3 s VAL 103 Cb -0.08 -1.58 0.20 0.00 0.56 0.00 0.00 36.38 35.48 1im3 s VAL 103 CO -0.01 -0.11 1.23 0.61 -0.31 0.00 0.00 175.10 176.52 1im3 n GLY 104 N 0.97 -0.80 0.30 2.32 0.00 -0.90 -0.48 105.19 106.60 1im3 n GLY 104 Ca -0.19 -1.82 0.18 0.00 0.00 0.00 0.00 46.02 44.20 1im3 n GLY 104 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1im3 h SER 105 N -1.38 0.00 -0.17 1.61 4.64 -1.92 0.54 113.55 116.88 1im3 h SER 105 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 1im3 h SER 105 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1im3 h SER 105 CO 0.32 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.38 1im3 n ASP 106 N -2.84 1.41 -1.09 4.97 5.75 -1.26 -4.91 116.55 118.59 1im3 n ASP 106 Ca -0.02 -1.73 -0.14 0.00 -0.01 0.00 0.00 54.79 52.89 1im3 n ASP 106 Cb 0.16 -0.11 -0.06 0.00 -1.03 0.00 0.00 41.12 40.08 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 0.18 0.00 -3.69 2.11 7.02 0.19 -4.99 117.44 118.25 1im3 n TRP 107 Ca 0.15 0.00 -0.33 0.00 -1.02 0.00 0.00 57.50 56.30 1im3 n TRP 107 Cb 0.28 -2.73 -0.05 0.00 -2.42 0.00 0.00 31.31 26.39 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 -3.14 3.62 0.00 -0.99 0.52 -1.26 -4.81 118.95 112.90 1im3 s ARG 108 Ca 0.00 -0.06 -0.37 0.00 -0.52 0.00 0.00 55.73 54.78 1im3 s ARG 108 Cb 0.00 -2.93 -0.16 0.00 0.52 0.00 0.00 34.95 32.39 1im3 s ARG 108 CO 0.00 0.52 1.50 0.34 0.02 0.00 0.00 175.30 177.68 1im3 n PHE 109 N 0.42 1.79 -0.06 -0.53 -0.00 -1.26 -2.13 117.46 115.69 1im3 n PHE 109 Ca -0.05 0.52 -0.11 0.00 -0.00 0.00 0.00 57.45 57.81 1im3 n PHE 109 Cb 0.52 -2.41 -0.05 0.00 -0.00 0.00 0.00 39.48 37.54 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 3.56 1.84 -3.49 -2.13 7.94 0.10 -4.83 117.00 120.00 1im3 n LEU 110 Ca 0.20 0.05 -0.14 0.00 -1.11 0.00 0.00 56.01 55.02 1im3 n LEU 110 Cb 0.20 -0.39 -0.04 0.00 0.53 0.00 0.00 43.42 43.72 1im3 n LEU 110 CO 0.67 0.46 0.48 -0.60 -1.11 0.00 0.00 177.39 177.30 1im3 s ARG 111 N -2.23 1.07 0.19 1.96 3.52 -1.09 -4.98 118.95 117.38 1im3 s ARG 111 Ca -0.17 -0.09 0.08 0.00 -0.13 0.00 0.00 55.73 55.42 1im3 s ARG 111 Cb 0.06 0.50 -0.04 0.00 -1.56 0.00 0.00 34.95 33.90 1im3 s ARG 111 CO 0.24 -0.41 -0.15 0.20 -0.81 0.00 0.00 175.30 174.38 1im3 s GLY 112 N -1.91 1.38 -0.00 8.12 0.00 -1.26 -0.65 107.32 113.00 1im3 s GLY 112 Ca -0.04 -1.59 -0.05 0.00 0.00 0.00 0.00 44.72 43.04 1im3 s GLY 112 CO -0.02 -1.67 0.09 -0.19 0.00 0.00 0.00 173.10 171.31 1im3 s TYR 113 N -2.72 0.07 -0.30 1.90 1.51 0.28 -4.83 117.35 113.26 1im3 s TYR 113 Ca 0.20 -0.16 0.01 0.00 -1.01 0.00 0.00 57.07 56.11 1im3 s TYR 113 Cb -0.02 -0.07 0.19 0.00 -0.11 0.00 0.00 41.96 41.95 1im3 s TYR 113 CO 0.06 -0.22 0.65 -1.58 -1.11 0.00 0.00 175.55 173.36 1im3 s HIS 114 N -1.14 -1.59 0.05 2.71 2.46 -1.25 -1.97 115.29 114.56 1im3 s HIS 114 Ca -0.12 1.24 -0.10 0.00 0.47 0.00 0.00 55.06 56.55 1im3 s HIS 114 Cb -0.07 0.39 0.01 0.00 -0.13 0.00 0.00 32.58 32.78 1im3 s HIS 114 CO 0.01 -0.90 0.23 1.14 -2.47 0.00 0.00 174.74 172.74 1im3 s GLN 115 N 2.86 0.77 0.16 2.88 -2.07 -0.00 -0.96 119.66 123.29 1im3 s GLN 115 Ca 0.15 -0.68 0.09 0.00 -1.82 0.00 0.00 55.36 53.10 1im3 s GLN 115 Cb -0.11 0.32 -0.04 0.00 -1.09 0.00 0.00 33.01 32.09 1im3 s GLN 115 CO -0.23 -0.24 -0.19 0.71 -1.32 0.00 0.00 175.29 174.02 1im3 s TYR 116 N -2.89 1.87 0.03 9.60 1.51 0.13 -0.96 117.35 126.64 1im3 s TYR 116 Ca -0.03 -0.45 0.02 0.00 -1.01 0.00 0.00 57.07 55.60 1im3 s TYR 116 Cb 0.00 -0.94 -0.02 0.00 -0.11 0.00 0.00 41.96 40.89 1im3 s TYR 116 CO -0.06 0.33 -0.07 0.00 -1.11 0.00 0.00 175.55 174.65 1im3 s ALA 117 N -1.91 0.47 -0.08 3.71 0.00 -0.17 -1.31 121.76 122.48 1im3 s ALA 117 Ca 0.15 -0.63 0.01 0.00 0.00 0.00 0.00 51.96 51.50 1im3 s ALA 117 Cb -0.06 0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.10 1im3 s ALA 117 CO 0.07 -0.02 -0.10 -0.47 0.00 0.00 0.00 175.76 175.23 1im3 s TYR 118 N -1.14 1.41 -1.53 0.00 5.04 -0.33 -1.07 117.35 119.72 1im3 s TYR 118 Ca -0.09 -0.56 -0.12 0.00 -2.44 0.00 0.00 57.07 53.87 1im3 s TYR 118 Cb -0.08 -1.08 0.08 0.00 0.35 0.00 0.00 41.96 41.23 1im3 s TYR 118 CO 0.00 -0.33 0.84 -0.25 -1.34 0.00 0.00 175.55 174.48 1im3 n ASP 119 N 4.11 -3.52 0.00 4.32 8.00 0.15 -2.64 116.55 126.97 1im3 n ASP 119 Ca -0.21 -0.86 0.00 0.00 0.71 0.00 0.00 54.79 54.43 1im3 n ASP 119 Cb 0.51 -3.57 0.00 0.00 -0.02 0.00 0.00 41.12 38.05 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 -1.64 0.90 3.22 0.44 0.00 -1.26 -5.02 105.19 101.82 1im3 n GLY 120 Ca -0.03 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.38 0.98 0.57 1.61 0.00 -1.08 -5.13 119.74 116.30 1im3 s LYS 121 Ca 0.00 -1.37 -0.19 0.00 0.00 0.00 0.00 55.97 54.41 1im3 s LYS 121 Cb 0.00 -0.53 -0.06 0.00 0.00 0.00 0.00 37.83 37.23 1im3 s LYS 121 CO 0.00 0.06 0.91 -0.25 0.00 0.00 0.00 175.35 176.07 1im3 n ASP 122 N -0.01 0.59 0.06 0.03 8.00 -1.26 -1.19 116.55 122.78 1im3 n ASP 122 Ca -0.12 0.84 0.00 0.00 0.71 0.00 0.00 54.79 56.22 1im3 n ASP 122 Cb 0.60 -1.35 0.00 0.00 -0.02 0.00 0.00 41.12 40.35 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 -1.50 -0.43 -3.70 1.24 9.36 -0.43 -4.59 117.16 117.10 1im3 n TYR 123 Ca 0.13 0.08 -0.14 0.00 3.32 0.00 0.00 57.90 61.28 1im3 n TYR 123 Cb 0.46 0.11 -0.08 0.00 -0.63 0.00 0.00 39.34 39.20 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 -1.88 0.04 -0.02 2.97 2.07 -1.06 -0.91 121.20 122.42 1im3 s ILE 124 Ca 0.00 -0.36 -0.09 0.00 -1.41 0.00 0.00 60.65 58.79 1im3 s ILE 124 Cb 0.00 -0.71 0.01 0.00 0.13 0.00 0.00 42.46 41.90 1im3 s ILE 124 CO 0.00 -0.20 0.20 0.00 -1.91 0.00 0.00 174.94 173.03 1im3 s ALA 125 N -1.29 -0.48 0.02 1.50 0.00 -0.81 -0.69 121.76 120.01 1im3 s ALA 125 Ca -0.13 0.15 -0.27 0.00 0.00 0.00 0.00 51.96 51.70 1im3 s ALA 125 Cb -0.04 -0.01 -0.04 0.00 0.00 0.00 0.00 23.12 23.03 1im3 s ALA 125 CO 0.06 -0.20 0.86 -1.17 0.00 0.00 0.00 175.76 175.31 1im3 s LEU 126 N -1.02 4.41 0.80 0.00 2.96 -0.13 -0.97 118.68 124.73 1im3 s LEU 126 Ca -0.11 1.53 -0.11 0.00 -0.22 0.00 0.00 54.13 55.22 1im3 s LEU 126 Cb -0.06 -3.37 0.07 0.00 0.50 0.00 0.00 46.19 43.33 1im3 s LEU 126 CO 0.02 -0.11 1.09 -0.54 -1.32 0.00 0.00 176.35 175.49 1im3 s LYS 127 N 0.44 2.04 0.62 1.98 1.02 0.13 -4.64 119.74 121.33 1im3 s LYS 127 Ca 0.44 0.74 0.32 0.00 0.02 0.00 0.00 55.97 57.49 1im3 s LYS 127 Cb -0.21 -1.91 1.80 0.00 -0.52 0.00 0.00 37.83 37.00 1im3 s LYS 127 CO 0.25 -1.67 2.12 1.49 -0.92 0.00 0.00 175.35 176.62 1im3 h GLU 128 N -1.13 0.00 0.00 1.68 4.81 -1.88 0.84 114.58 118.89 1im3 h GLU 128 Ca -0.47 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 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 0.58 0.00 0.00 -0.40 -0.73 0.00 0.00 179.01 178.46 1im3 n ASP 129 N -3.51 0.00 -2.00 1.04 5.68 -1.26 -4.83 116.55 111.67 1im3 n ASP 129 Ca 0.00 -0.17 -0.17 0.00 -0.50 0.00 0.00 54.79 53.95 1im3 n ASP 129 Cb 0.29 -0.23 -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 -1.23 -1.47 0.00 -2.12 4.77 0.29 -4.75 117.00 112.49 1im3 n LEU 130 Ca 0.12 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 1im3 n LEU 130 Cb 0.15 -2.56 0.00 0.00 -2.33 0.00 0.00 43.42 38.68 1im3 n LEU 130 CO 0.16 -0.52 -0.26 -1.14 -1.33 0.00 0.00 177.39 174.29 1im3 n ARG 131 N -2.57 0.50 -4.25 3.23 0.63 -1.26 -4.63 116.66 108.30 1im3 n ARG 131 Ca -0.19 0.00 -0.23 0.00 -0.92 0.00 0.00 57.85 56.51 1im3 n ARG 131 Cb 0.62 -0.76 -0.07 0.00 0.45 0.00 0.00 32.46 32.70 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 -3.18 4.76 0.10 6.15 1.04 -1.26 -4.87 113.70 116.44 1im3 s SER 132 Ca 0.00 -0.55 0.05 0.00 0.48 0.00 0.00 55.95 55.93 1im3 s SER 132 Cb 0.00 -0.97 -0.04 0.00 0.10 0.00 0.00 66.02 65.11 1im3 s SER 132 CO 0.00 0.00 -0.00 0.26 0.98 0.00 0.00 173.24 174.48 1im3 s TRP 133 N -2.24 2.97 -0.32 5.02 0.52 -1.26 -0.70 118.94 122.93 1im3 s TRP 133 Ca 0.31 -0.04 0.01 0.00 0.02 0.00 0.00 56.10 56.40 1im3 s TRP 133 Cb -0.07 -1.51 0.08 0.00 -1.15 0.00 0.00 33.47 30.81 1im3 s TRP 133 CO 0.21 0.48 0.02 0.99 0.02 0.00 0.00 176.95 178.67 1im3 s THR 134 N -1.36 2.62 -0.13 2.01 2.01 -0.14 -4.91 115.64 115.74 1im3 s THR 134 Ca 0.26 -1.83 -0.26 0.00 0.31 0.00 0.00 61.69 60.16 1im3 s THR 134 Cb -0.11 -2.68 -0.02 0.00 0.01 0.00 0.00 72.50 69.70 1im3 s THR 134 CO 0.18 -0.32 0.86 0.00 -0.69 0.00 0.00 174.62 174.65 1im3 s ALA 135 N 1.10 3.45 0.35 7.40 0.00 -1.26 -1.92 121.76 130.87 1im3 s ALA 135 Ca 0.00 0.15 0.14 0.00 0.00 0.00 0.00 51.96 52.25 1im3 s ALA 135 Cb -0.20 -3.24 0.73 0.00 0.00 0.00 0.00 23.12 20.41 1im3 s ALA 135 CO -0.05 -0.54 1.82 0.00 0.00 0.00 0.00 175.76 176.99 1im3 h ALA 136 N 7.17 1.32 -2.50 0.00 0.00 -1.33 -3.47 119.26 120.44 1im3 h ALA 136 Ca -0.32 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.24 1im3 h ALA 136 Cb 1.15 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 1im3 h ALA 136 CO 0.82 0.47 -0.00 -0.40 0.00 0.00 0.00 179.25 180.15 1im3 n ASP 137 N -4.01 -0.02 -0.04 0.00 5.68 -1.26 -5.04 116.55 111.86 1im3 n ASP 137 Ca -0.02 -1.03 -0.11 0.00 -0.50 0.00 0.00 54.79 53.14 1im3 n ASP 137 Cb 0.42 0.04 -0.05 0.00 -1.14 0.00 0.00 41.12 40.39 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 0.25 -0.45 0.11 1.85 -1.98 -3.01 114.93 111.70 1im3 h MET 138 Ca -0.00 -0.04 0.04 0.00 -0.61 0.00 0.00 59.70 59.09 1im3 h MET 138 Cb 0.02 -0.04 -0.04 0.00 0.43 0.00 0.00 31.60 31.96 1im3 h MET 138 CO 0.01 0.30 0.21 0.00 -0.40 0.00 0.00 176.91 177.03 1im3 h ALA 139 N 0.93 0.56 -0.03 0.39 0.00 -1.98 -1.83 119.26 117.31 1im3 h ALA 139 Ca 0.06 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1im3 h ALA 139 Cb 0.14 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1im3 h ALA 139 CO -0.01 -0.16 0.17 0.00 0.00 0.00 0.00 179.25 179.25 1im3 h ALA 140 N 1.25 1.25 -0.45 0.00 0.00 -1.82 -1.03 119.26 118.48 1im3 h ALA 140 Ca 0.20 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1im3 h ALA 140 Cb 0.13 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1im3 h ALA 140 CO -0.16 -0.18 0.19 1.96 0.00 0.00 0.00 179.25 181.07 1im3 h GLN 141 N 0.00 0.63 -0.27 0.00 1.08 -1.27 -0.07 115.11 115.21 1im3 h GLN 141 Ca 0.01 -0.08 0.00 0.00 -1.45 0.00 0.00 58.65 57.14 1im3 h GLN 141 Cb 0.35 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.64 1im3 h GLN 141 CO -0.00 0.51 0.17 1.15 -0.95 0.00 0.00 178.83 179.71 1im3 h THR 142 N 0.63 1.07 -0.74 -0.54 2.02 -1.32 -0.33 112.91 113.71 1im3 h THR 142 Ca 0.16 -0.15 -0.05 0.00 0.77 0.00 0.00 66.41 67.14 1im3 h THR 142 Cb 0.10 0.70 -0.03 0.00 -1.74 0.00 0.00 68.15 67.18 1im3 h THR 142 CO -0.02 0.07 0.28 0.74 0.37 0.00 0.00 175.52 176.97 1im3 h THR 143 N 0.35 1.25 -0.42 3.16 2.02 -1.46 -0.11 112.91 117.71 1im3 h THR 143 Ca 0.10 -0.82 0.03 0.00 0.77 0.00 0.00 66.41 66.49 1im3 h THR 143 Cb -0.03 0.40 -0.03 0.00 -1.74 0.00 0.00 68.15 66.75 1im3 h THR 143 CO -0.02 0.33 0.21 0.50 0.37 0.00 0.00 175.52 176.91 1im3 h LYS 144 N 1.07 0.42 -0.41 6.66 3.64 -0.51 0.40 116.57 127.84 1im3 h LYS 144 Ca 0.25 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.56 1im3 h LYS 144 Cb 0.23 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 1im3 h LYS 144 CO -0.02 0.28 0.11 1.25 -2.27 0.00 0.00 179.45 178.80 1im3 h HIS 145 N 0.43 0.67 -0.61 1.91 2.76 -0.76 -1.26 115.15 118.29 1im3 h HIS 145 Ca 0.18 -0.07 0.02 0.00 -2.20 0.00 0.00 60.37 58.29 1im3 h HIS 145 Cb 0.07 -0.19 -0.03 0.00 1.55 0.00 0.00 27.41 28.81 1im3 h HIS 145 CO -0.10 0.63 0.39 -0.22 -1.30 0.00 0.00 177.93 177.33 1im3 h LYS 146 N 0.52 0.75 0.00 5.26 3.64 -0.27 -0.98 116.57 125.49 1im3 h LYS 146 Ca 0.13 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.37 1im3 h LYS 146 Cb 0.29 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 1im3 h LYS 146 CO -0.00 0.50 -0.47 -1.49 -2.27 0.00 0.00 179.45 175.72 1im3 h TRP 147 N 0.78 0.00 -0.25 1.91 4.06 0.02 -1.56 115.95 120.91 1im3 h TRP 147 Ca 0.23 0.00 -0.18 0.00 2.06 0.00 0.00 58.89 61.00 1im3 h TRP 147 Cb -0.03 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.13 1im3 h TRP 147 CO -0.04 0.47 -0.57 0.93 -3.56 0.00 0.00 178.44 175.67 1im3 h GLU 148 N 0.00 0.77 -0.06 0.49 5.08 -0.79 -0.55 114.58 119.51 1im3 h GLU 148 Ca -0.00 -0.50 -0.11 0.00 -1.00 0.00 0.00 59.36 57.75 1im3 h GLU 148 Cb 0.84 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 1im3 h GLU 148 CO 0.06 1.12 -0.46 0.00 -1.00 0.00 0.00 179.01 178.73 1im3 h ALA 149 N 0.77 1.11 -0.14 3.43 0.00 -0.83 -2.99 119.26 120.62 1im3 h ALA 149 Ca 0.01 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1im3 h ALA 149 Cb 1.16 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1im3 h ALA 149 CO 0.12 0.61 0.00 0.00 0.00 0.00 0.00 179.25 179.98 1im3 n ALA 150 N -2.46 2.51 -3.87 0.00 0.00 -0.62 -4.96 120.51 111.10 1im3 n ALA 150 Ca -0.02 -0.62 -0.27 0.00 0.00 0.00 0.00 53.44 52.54 1im3 n ALA 150 Cb 0.50 -1.02 0.02 0.00 0.00 0.00 0.00 19.45 18.95 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 0.68 -2.01 -0.16 0.00 -0.00 -0.30 -4.89 115.22 108.53 1im3 n HIS 151 Ca 0.17 0.85 -0.08 0.00 -0.00 0.00 0.00 57.72 58.66 1im3 n HIS 151 Cb 0.44 -4.01 0.07 0.00 -0.00 0.00 0.00 29.99 26.48 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 -1.92 1.26 -0.62 1.59 2.07 -1.64 -3.06 116.25 113.93 1im3 h VAL 152 Ca -0.60 -1.18 0.01 0.00 0.82 0.00 0.00 66.70 65.75 1im3 h VAL 152 Cb 1.37 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 32.02 1im3 h VAL 152 CO 0.63 0.42 0.41 0.00 0.02 0.00 0.00 177.57 179.05 1im3 h ALA 153 N 1.06 0.79 -0.87 1.67 0.00 -1.89 -0.40 119.26 119.61 1im3 h ALA 153 Ca 0.15 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.04 1im3 h ALA 153 Cb 0.59 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 1im3 h ALA 153 CO 0.04 0.21 0.57 0.93 0.00 0.00 0.00 179.25 180.99 1im3 h GLU 154 N 0.83 1.09 -0.24 0.00 3.07 -1.82 0.15 114.58 117.66 1im3 h GLU 154 Ca 0.23 -0.07 -0.06 0.00 -0.50 0.00 0.00 59.36 58.96 1im3 h GLU 154 Cb -0.09 -0.25 -0.01 0.00 -0.84 0.00 0.00 28.75 27.57 1im3 h GLU 154 CO -0.06 0.72 -0.09 1.96 -1.40 0.00 0.00 179.01 180.15 1im3 h GLN 155 N 1.13 0.49 -0.47 2.33 4.20 -1.32 -2.73 115.11 118.73 1im3 h GLN 155 Ca 0.34 -0.20 -0.02 0.00 0.06 0.00 0.00 58.65 58.83 1im3 h GLN 155 Cb -0.05 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.68 1im3 h GLN 155 CO -0.10 0.73 0.23 -0.07 -0.67 0.00 0.00 178.83 178.95 1im3 h LEU 156 N 0.22 0.62 -0.44 1.46 3.38 -0.78 -2.63 115.31 117.14 1im3 h LEU 156 Ca 0.06 -0.13 0.04 0.00 0.09 0.00 0.00 57.88 57.94 1im3 h LEU 156 Cb 0.57 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 1im3 h LEU 156 CO 0.03 0.57 0.21 -0.09 0.09 0.00 0.00 178.44 179.25 1im3 h ARG 157 N 0.62 0.40 -0.64 1.13 2.43 -0.68 0.37 114.38 118.02 1im3 h ARG 157 Ca 0.16 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.36 1im3 h ARG 157 Cb 0.12 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 29.53 1im3 h ARG 157 CO -0.02 0.27 0.36 0.00 -1.51 0.00 0.00 179.97 179.07 1im3 h ALA 158 N 1.24 0.84 -0.10 2.80 0.00 -1.36 -1.24 119.26 121.44 1im3 h ALA 158 Ca 0.19 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1im3 h ALA 158 Cb 0.12 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1im3 h ALA 158 CO -0.15 0.05 -0.00 -0.92 0.00 0.00 0.00 179.25 178.23 1im3 h TYR 159 N 0.68 0.19 -0.79 0.00 3.20 -0.98 -1.09 116.97 118.18 1im3 h TYR 159 Ca 0.28 -0.03 -0.05 0.00 3.14 0.00 0.00 58.73 62.07 1im3 h TYR 159 Cb 0.14 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.33 1im3 h TYR 159 CO -0.08 0.43 0.30 -0.07 -1.64 0.00 0.00 178.16 177.11 1im3 h LEU 160 N -0.10 1.10 0.00 2.82 3.38 -0.00 0.16 115.31 122.68 1im3 h LEU 160 Ca 0.03 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1im3 h LEU 160 Cb 0.35 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1im3 h LEU 160 CO 0.01 0.99 -0.54 -0.33 0.09 0.00 0.00 178.44 178.65 1im3 h GLU 161 N 1.16 0.00 0.00 1.13 5.08 -1.30 -3.33 114.58 117.31 1im3 h GLU 161 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1im3 h GLU 161 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1im3 h GLU 161 CO -0.02 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.40 1im3 n GLY 162 N 1.18 0.21 0.31 -3.84 0.00 -0.41 -4.67 105.19 97.97 1im3 n GLY 162 Ca 0.02 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.05 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 0.17 0.12 2.61 2.02 -1.61 0.21 112.91 116.43 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 0.17 -0.03 0.00 -1.74 0.00 0.00 68.15 66.56 1im3 h THR 163 CO 0.00 0.00 -0.20 0.00 0.37 0.00 0.00 175.52 175.69 1im3 h VAL 165 N -0.39 1.28 -0.27 0.00 -1.51 -1.56 -1.35 116.25 112.45 1im3 h VAL 165 Ca 0.02 -1.38 -0.03 0.00 -1.23 0.00 0.00 66.70 64.09 1im3 h VAL 165 Cb 0.40 1.54 -0.01 0.00 -2.13 0.00 0.00 31.29 31.09 1im3 h VAL 165 CO -0.10 0.42 0.06 -0.33 -1.23 0.00 0.00 177.57 176.39 1im3 h GLU 166 N 0.27 0.44 -0.07 5.19 5.08 -0.54 -1.15 114.58 123.80 1im3 h GLU 166 Ca 0.03 -0.11 -0.14 0.00 -1.00 0.00 0.00 59.36 58.14 1im3 h GLU 166 Cb 0.73 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 1im3 h GLU 166 CO 0.06 0.53 -0.59 -1.49 -1.00 0.00 0.00 179.01 176.51 1im3 h TRP 167 N 0.27 0.30 -0.57 4.33 4.06 -0.96 -2.20 115.95 121.17 1im3 h TRP 167 Ca 0.08 -0.11 -0.01 0.00 2.06 0.00 0.00 58.89 60.92 1im3 h TRP 167 Cb 0.29 -0.05 -0.03 0.00 -1.00 0.00 0.00 29.16 28.37 1im3 h TRP 167 CO 0.01 0.77 0.33 1.25 -3.56 0.00 0.00 178.44 177.24 1im3 h LEU 168 N 0.17 0.69 -0.83 -4.49 5.85 -1.07 0.13 115.31 115.77 1im3 h LEU 168 Ca -0.00 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.62 1im3 h LEU 168 Cb 1.09 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.91 1im3 h LEU 168 CO 0.09 0.56 0.42 0.03 -0.34 0.00 0.00 178.44 179.21 1im3 h ARG 169 N 0.77 1.18 -0.64 1.25 3.08 -0.97 0.68 114.38 119.73 1im3 h ARG 169 Ca 0.20 -0.16 -0.04 0.00 0.07 0.00 0.00 59.98 60.05 1im3 h ARG 169 Cb 0.01 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 29.81 1im3 h ARG 169 CO -0.04 0.89 0.25 -0.09 -1.07 0.00 0.00 179.97 179.92 1im3 h ARG 170 N 1.17 0.96 -0.49 0.04 2.43 -0.87 -1.60 114.38 116.03 1im3 h ARG 170 Ca 0.29 -0.18 -0.07 0.00 -0.81 0.00 0.00 59.98 59.21 1im3 h ARG 170 Cb 0.08 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 1im3 h ARG 170 CO -0.04 0.81 0.04 1.88 -1.51 0.00 0.00 179.97 181.15 1im3 h TYR 171 N 0.90 0.91 -0.89 2.20 0.05 -0.23 -0.05 116.97 119.86 1im3 h TYR 171 Ca 0.21 -0.14 0.01 0.00 0.05 0.00 0.00 58.73 58.86 1im3 h TYR 171 Cb 0.21 -0.24 -0.04 0.00 1.01 0.00 0.00 36.73 37.67 1im3 h TYR 171 CO 0.01 0.85 0.59 -0.07 -1.05 0.00 0.00 178.16 178.50 1im3 h LEU 172 N 0.71 1.03 0.06 3.88 3.38 -0.56 0.80 115.31 124.61 1im3 h LEU 172 Ca 0.14 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 1im3 h LEU 172 Cb 0.46 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1im3 h LEU 172 CO 0.02 0.74 -0.03 -0.08 0.09 0.00 0.00 178.44 179.18 1im3 h GLU 173 N 1.21 -0.08 -0.74 1.13 4.57 -1.07 -0.25 114.58 119.34 1im3 h GLU 173 Ca 0.33 0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.52 1im3 h GLU 173 Cb -0.14 0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.43 1im3 h GLU 173 CO -0.07 0.50 0.49 -0.91 -1.18 0.00 0.00 179.01 177.84 1im3 h ASN 174 N -0.79 0.85 -0.57 1.04 2.35 -0.91 -1.97 115.58 115.59 1im3 h ASN 174 Ca -0.01 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 1im3 h ASN 174 Cb 0.62 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.78 1im3 h ASN 174 CO 0.01 0.62 0.00 0.61 -1.65 0.00 0.00 177.43 177.02 1im3 n GLY 175 N -1.42 3.04 0.37 2.83 0.00 0.26 -4.68 105.19 105.59 1im3 n GLY 175 Ca 0.08 -0.92 0.24 0.00 0.00 0.00 0.00 46.02 45.41 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 3.86 0.37 0.00 1.61 2.10 -0.22 0.24 116.57 124.53 1im3 h LYS 176 Ca 0.00 -0.02 -0.00 0.00 -2.00 0.00 0.00 60.65 58.62 1im3 h LYS 176 Cb 1.85 -0.08 -0.00 0.00 -0.90 0.00 0.00 32.23 33.10 1im3 h LYS 176 CO 0.43 0.25 -0.02 0.93 -2.00 0.00 0.00 179.45 179.03 1im3 h GLU 177 N 0.38 0.00 0.00 0.07 4.39 -1.84 -1.59 114.58 115.99 1im3 h GLU 177 Ca 0.69 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.39 1im3 h GLU 177 Cb 1.62 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.27 1im3 h GLU 177 CO -0.47 0.02 -0.99 0.25 -1.16 0.00 0.00 179.01 176.66 1im3 n THR 178 N -3.59 0.00 -0.07 1.13 -2.24 0.18 -4.42 114.28 105.27 1im3 n THR 178 Ca -0.03 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.65 1im3 n THR 178 Cb 0.11 0.42 -0.15 0.00 -2.10 0.00 0.00 70.33 68.61 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 -1.51 0.58 -0.19 3.22 4.77 0.60 -4.50 117.00 119.97 1im3 n LEU 179 Ca 0.00 0.15 0.09 0.00 -0.03 0.00 0.00 56.01 56.22 1im3 n LEU 179 Cb 0.03 0.24 -0.06 0.00 -2.33 0.00 0.00 43.42 41.30 1im3 n LEU 179 CO 0.00 0.50 0.10 0.00 -1.33 0.00 0.00 177.39 176.66 1im3 n GLN 180 N -2.91 1.34 -3.08 3.23 6.02 -0.61 -4.95 117.38 116.43 1im3 n GLN 180 Ca -0.28 -0.39 -0.24 0.00 -0.01 0.00 0.00 57.00 56.08 1im3 n GLN 180 Cb 1.11 -1.34 0.00 0.00 1.02 0.00 0.00 30.24 31.03 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 -2.42 3.30 0.26 -1.09 0.52 -1.15 -4.97 118.95 113.40 1im3 s ARG 181 Ca 0.10 -0.32 0.11 0.00 -0.52 0.00 0.00 55.73 55.11 1im3 s ARG 181 Cb 0.14 -2.57 -0.05 0.00 0.52 0.00 0.00 34.95 33.00 1im3 s ARG 181 CO 0.61 -0.11 -0.16 0.95 0.02 0.00 0.00 175.30 176.61 1im3 s THR 182 N -2.50 2.70 -0.22 0.02 -4.23 -1.26 -4.75 115.64 105.40 1im3 s THR 182 Ca 0.45 -2.21 0.01 0.00 -1.18 0.00 0.00 61.69 58.76 1im3 s THR 182 Cb -0.10 -2.40 0.05 0.00 1.34 0.00 0.00 72.50 71.39 1im3 s THR 182 CO 0.38 -0.33 -0.08 -1.81 -0.54 0.00 0.00 174.62 172.24 1im3 s ASP 183 N -3.37 3.70 0.47 3.99 1.11 -0.06 -4.96 116.67 117.55 1im3 s ASP 183 Ca 0.29 -1.07 -0.23 0.00 0.18 0.00 0.00 52.55 51.72 1im3 s ASP 183 Cb -0.06 -1.24 -0.07 0.00 1.07 0.00 0.00 42.92 42.62 1im3 s ASP 183 CO 0.15 -0.19 1.17 0.00 1.18 0.00 0.00 175.17 177.49 1im3 s ALA 184 N 1.37 2.96 0.25 5.23 0.00 -1.26 -1.07 121.76 129.24 1im3 s ALA 184 Ca -0.04 0.95 -0.30 0.00 0.00 0.00 0.00 51.96 52.58 1im3 s ALA 184 Cb -0.18 -3.39 -0.09 0.00 0.00 0.00 0.00 23.12 19.46 1im3 s ALA 184 CO -0.07 -0.70 1.19 -1.25 0.00 0.00 0.00 175.76 174.94 1im3 s PRO 185 N -2.72 4.51 -0.23 0.00 0.04 -1.26 -4.44 135.00 130.90 1im3 s PRO 185 Ca 0.64 1.94 -0.17 0.00 0.04 0.00 0.00 61.00 63.44 1im3 s PRO 185 Cb -0.29 -3.18 -0.03 0.00 0.04 0.00 0.00 34.50 31.03 1im3 s PRO 185 CO 0.35 -0.01 0.48 0.15 0.04 0.00 0.00 177.00 178.01 1im3 s LYS 186 N -0.98 4.13 0.22 4.56 1.02 0.19 -4.82 119.74 124.06 1im3 s LYS 186 Ca 0.49 0.30 0.10 0.00 0.02 0.00 0.00 55.97 56.89 1im3 s LYS 186 Cb -0.34 -3.60 -0.04 0.00 -0.52 0.00 0.00 37.83 33.33 1im3 s LYS 186 CO 0.42 -0.21 -0.10 0.95 -0.92 0.00 0.00 175.35 175.48 1im3 s THR 187 N 1.85 3.05 0.07 2.17 -4.23 -1.26 -1.55 115.64 115.74 1im3 s THR 187 Ca 0.21 -1.88 -0.27 0.00 -1.18 0.00 0.00 61.69 58.57 1im3 s THR 187 Cb -0.15 -2.55 0.09 0.00 1.34 0.00 0.00 72.50 71.22 1im3 s THR 187 CO 0.09 -0.22 0.94 -1.38 -0.54 0.00 0.00 174.62 173.51 1im3 s HIS 188 N -1.98 -0.24 0.00 3.99 -3.43 -1.13 -5.01 115.29 107.50 1im3 s HIS 188 Ca 0.27 0.03 0.06 0.00 -0.80 0.00 0.00 55.06 54.61 1im3 s HIS 188 Cb -0.08 0.58 -0.02 0.00 -1.43 0.00 0.00 32.58 31.64 1im3 s HIS 188 CO 0.16 -0.66 -0.18 1.41 -2.00 0.00 0.00 174.74 173.46 1im3 s MET 189 N -3.17 1.42 0.20 -0.38 1.75 -1.26 -0.58 119.30 117.28 1im3 s MET 189 Ca 0.09 -0.72 0.10 0.00 -1.25 0.00 0.00 55.69 53.91 1im3 s MET 189 Cb -0.01 -1.41 -0.04 0.00 2.84 0.00 0.00 34.83 36.21 1im3 s MET 189 CO -0.04 0.38 -0.17 0.95 -0.65 0.00 0.00 175.02 175.49 1im3 s THR 190 N -0.53 2.73 -0.10 10.11 -4.23 -0.07 -4.95 115.64 118.59 1im3 s THR 190 Ca 0.07 -1.92 0.03 0.00 -1.18 0.00 0.00 61.69 58.68 1im3 s THR 190 Cb -0.07 -2.34 0.01 0.00 1.34 0.00 0.00 72.50 71.43 1im3 s THR 190 CO -0.00 -0.15 -0.19 -2.28 -0.54 0.00 0.00 174.62 171.46 1im3 s HIS 191 N -1.79 2.20 -0.12 3.99 2.46 -1.26 -0.87 115.29 119.90 1im3 s HIS 191 Ca 0.24 -0.96 -0.01 0.00 0.47 0.00 0.00 55.06 54.79 1im3 s HIS 191 Cb -0.08 -1.52 0.03 0.00 -0.13 0.00 0.00 32.58 30.88 1im3 s HIS 191 CO 0.13 -0.44 -0.05 -1.01 -2.47 0.00 0.00 174.74 170.90 1im3 s HIS 192 N 0.66 1.30 -0.12 3.88 3.76 -0.37 -4.99 115.29 119.40 1im3 s HIS 192 Ca -0.13 -0.68 -0.29 0.00 -0.15 0.00 0.00 55.06 53.81 1im3 s HIS 192 Cb -0.16 -1.13 -0.03 0.00 1.11 0.00 0.00 32.58 32.37 1im3 s HIS 192 CO 0.03 -0.50 1.39 0.00 -0.85 0.00 0.00 174.74 174.82 1im3 s ALA 193 N 1.77 3.64 0.09 -1.40 0.00 -1.26 -0.23 121.76 124.37 1im3 s ALA 193 Ca 0.04 0.63 0.05 0.00 0.00 0.00 0.00 51.96 52.68 1im3 s ALA 193 Cb -0.13 -3.66 -0.23 0.00 0.00 0.00 0.00 23.12 19.10 1im3 s ALA 193 CO -0.07 -1.22 1.18 0.28 0.00 0.00 0.00 175.76 175.92 1im3 h VAL 194 N 5.49 1.57 -0.72 0.00 2.07 -1.55 -3.47 116.25 119.64 1im3 h VAL 194 Ca -0.31 -3.27 0.00 0.00 0.82 0.00 0.00 66.70 63.94 1im3 h VAL 194 Cb 1.13 2.82 0.00 0.00 -1.52 0.00 0.00 31.29 33.73 1im3 h VAL 194 CO 0.96 0.91 0.00 -1.54 0.02 0.00 0.00 177.57 177.92 1im3 n SER 195 N -3.36 0.00 -0.01 0.57 3.41 -1.10 -4.94 113.62 108.19 1im3 n SER 195 Ca -0.04 -0.09 0.13 0.00 -0.26 0.00 0.00 58.87 58.61 1im3 n SER 195 Cb 0.97 0.00 0.51 0.00 -0.26 0.00 0.00 64.21 65.43 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 -0.06 0.19 -0.04 4.04 8.00 -1.26 -4.18 116.55 123.24 1im3 n ASP 196 Ca 0.00 0.19 -0.02 0.00 0.71 0.00 0.00 54.79 55.67 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 -1.46 0.00 -4.28 1.24 8.25 -1.26 -4.86 115.22 112.84 1im3 n HIS 197 Ca 0.07 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.38 1im3 n HIS 197 Cb 0.33 -0.42 -0.10 0.00 1.12 0.00 0.00 29.99 30.92 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 -2.41 1.16 0.01 -0.41 2.02 -1.26 -1.22 118.70 116.60 1im3 s GLU 198 Ca -0.05 -1.52 -0.05 0.00 0.02 0.00 0.00 54.97 53.37 1im3 s GLU 198 Cb 0.04 -0.67 -0.01 0.00 0.10 0.00 0.00 34.13 33.60 1im3 s GLU 198 CO 0.43 0.04 0.08 0.00 0.02 0.00 0.00 175.26 175.83 1im3 s ALA 199 N -3.32 -0.14 -0.19 5.21 0.00 0.85 -1.35 121.76 122.82 1im3 s ALA 199 Ca 0.20 -0.36 -0.06 0.00 0.00 0.00 0.00 51.96 51.74 1im3 s ALA 199 Cb 0.03 0.15 -0.03 0.00 0.00 0.00 0.00 23.12 23.27 1im3 s ALA 199 CO 0.03 -0.22 0.03 0.99 0.00 0.00 0.00 175.76 176.59 1im3 s THR 200 N -1.67 4.34 -0.19 0.00 2.01 0.68 0.14 115.64 120.95 1im3 s THR 200 Ca -0.13 -0.19 -0.05 0.00 0.31 0.00 0.00 61.69 61.63 1im3 s THR 200 Cb -0.07 -2.96 -0.03 0.00 0.01 0.00 0.00 72.50 69.45 1im3 s THR 200 CO -0.00 0.44 0.01 -0.76 -0.69 0.00 0.00 174.62 173.62 1im3 s LEU 201 N 0.71 3.38 -0.15 4.42 1.43 -0.34 -1.24 118.68 126.89 1im3 s LEU 201 Ca 0.01 -0.14 0.01 0.00 -1.03 0.00 0.00 54.13 52.99 1im3 s LEU 201 Cb -0.14 -1.85 0.00 0.00 0.03 0.00 0.00 46.19 44.23 1im3 s LEU 201 CO 0.02 0.09 -0.18 -0.60 0.23 0.00 0.00 176.35 175.91 1im3 s ARG 202 N 0.83 3.14 -0.29 1.70 3.52 -0.05 -1.46 118.95 126.35 1im3 s ARG 202 Ca 0.01 -0.79 -0.11 0.00 -0.13 0.00 0.00 55.73 54.71 1im3 s ARG 202 Cb -0.14 -2.54 -0.04 0.00 -1.56 0.00 0.00 34.95 30.67 1im3 s ARG 202 CO 0.02 0.02 0.18 0.00 -0.81 0.00 0.00 175.30 174.71 1im3 s TRP 204 N 1.72 3.47 -0.15 0.00 0.52 0.25 -1.44 118.94 123.31 1im3 s TRP 204 Ca 0.07 0.43 -0.01 0.00 0.02 0.00 0.00 56.10 56.61 1im3 s TRP 204 Cb -0.16 -1.89 0.04 0.00 -1.15 0.00 0.00 33.47 30.30 1im3 s TRP 204 CO 0.09 0.66 -0.06 0.00 0.02 0.00 0.00 176.95 177.66 1im3 s ALA 205 N -0.99 1.41 0.15 0.98 0.00 0.14 -2.82 121.76 120.64 1im3 s ALA 205 Ca 0.15 -0.72 0.07 0.00 0.00 0.00 0.00 51.96 51.45 1im3 s ALA 205 Cb -0.12 -1.05 -0.04 0.00 0.00 0.00 0.00 23.12 21.91 1im3 s ALA 205 CO 0.04 -0.66 -0.15 -0.51 0.00 0.00 0.00 175.76 174.47 1im3 s LEU 206 N 1.67 2.45 -1.43 0.00 1.43 -0.59 -1.00 118.68 121.20 1im3 s LEU 206 Ca 0.02 -0.88 -0.10 0.00 -1.03 0.00 0.00 54.13 52.15 1im3 s LEU 206 Cb -0.14 -0.66 0.05 0.00 0.03 0.00 0.00 46.19 45.47 1im3 s LEU 206 CO -0.08 -0.12 1.01 -0.24 0.23 0.00 0.00 176.35 177.15 1im3 n SER 207 N 0.25 -4.59 -4.72 2.29 2.88 -0.80 -0.64 113.62 108.29 1im3 n SER 207 Ca -0.13 -0.70 -0.23 0.00 -1.33 0.00 0.00 58.87 56.47 1im3 n SER 207 Cb 0.58 -4.33 -0.06 0.00 -0.75 0.00 0.00 64.21 59.65 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 -3.36 2.90 -0.22 0.66 -0.12 -0.92 -4.58 117.98 112.33 1im3 s PHE 208 Ca 0.51 -0.16 -0.17 0.00 -0.05 0.00 0.00 56.93 57.06 1im3 s PHE 208 Cb -0.24 -1.32 0.06 0.00 -0.63 0.00 0.00 43.02 40.89 1im3 s PHE 208 CO 0.79 0.56 0.57 -0.47 -0.05 0.00 0.00 175.22 176.63 1im3 s TYR 209 N -2.13 -0.72 1.16 3.49 5.04 -0.23 -0.32 117.35 123.64 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 0.32 0.27 0.00 0.35 0.00 0.00 41.96 42.82 1im3 s TYR 209 CO 0.22 -0.36 1.10 -1.25 -1.34 0.00 0.00 175.55 173.91 1im3 s PRO 210 N 0.80 -0.87 0.34 4.97 0.04 -1.26 -0.88 135.00 138.14 1im3 s PRO 210 Ca -0.04 0.11 0.05 0.00 0.04 0.00 0.00 61.00 61.16 1im3 s PRO 210 Cb -0.05 -1.62 0.61 0.00 0.04 0.00 0.00 34.50 33.48 1im3 s PRO 210 CO -0.06 -3.51 1.85 0.00 0.04 0.00 0.00 177.00 175.32 1im3 h ALA 211 N -2.44 1.35 -2.02 8.56 0.00 -1.95 -3.44 119.26 119.31 1im3 h ALA 211 Ca -0.48 -0.23 -0.63 0.00 0.00 0.00 0.00 54.91 53.57 1im3 h ALA 211 Cb 1.31 -0.12 0.04 0.00 0.00 0.00 0.00 17.79 19.01 1im3 h ALA 211 CO 0.41 0.44 0.85 -1.91 0.00 0.00 0.00 179.25 179.04 1im3 n GLU 212 N -4.24 1.89 -3.48 0.00 4.07 -1.26 -4.96 120.64 112.66 1im3 n GLU 212 Ca 0.00 0.69 -0.13 0.00 -0.06 0.00 0.00 57.16 57.66 1im3 n GLU 212 Cb 0.29 -2.45 -0.04 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 2.13 0.00 -0.12 6.31 2.07 -1.26 -4.71 121.20 125.61 1im3 s ILE 213 Ca 0.86 0.00 -0.01 0.00 -1.41 0.00 0.00 60.65 60.10 1im3 s ILE 213 Cb -0.77 -1.00 0.03 0.00 0.13 0.00 0.00 42.46 40.85 1im3 s ILE 213 CO 0.47 0.00 -0.06 -0.89 -1.91 0.00 0.00 174.94 172.55 1im3 s THR 214 N -2.61 0.94 -0.19 4.00 2.01 -0.70 -5.01 115.64 114.09 1im3 s THR 214 Ca -0.02 -0.31 -0.03 0.00 0.31 0.00 0.00 61.69 61.64 1im3 s THR 214 Cb -0.01 -1.02 -0.01 0.00 0.01 0.00 0.00 72.50 71.47 1im3 s THR 214 CO -0.04 0.29 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.35 1im3 s LEU 215 N 1.73 2.84 0.02 4.42 1.02 -1.26 -1.04 118.68 126.42 1im3 s LEU 215 Ca 0.04 -0.37 0.01 0.00 0.02 0.00 0.00 54.13 53.83 1im3 s LEU 215 Cb -0.13 -1.70 -0.02 0.00 0.02 0.00 0.00 46.19 44.36 1im3 s LEU 215 CO -0.08 0.03 -0.05 0.42 0.02 0.00 0.00 176.35 176.70 1im3 s THR 216 N 1.14 0.32 -0.01 5.49 -4.23 -0.52 -4.98 115.64 112.86 1im3 s THR 216 Ca 0.02 -0.75 0.00 0.00 -1.18 0.00 0.00 61.69 59.78 1im3 s THR 216 Cb -0.14 -0.39 -0.04 0.00 1.34 0.00 0.00 72.50 73.27 1im3 s THR 216 CO -0.02 -0.28 0.04 0.26 -0.54 0.00 0.00 174.62 174.08 1im3 s TRP 217 N -1.02 3.19 0.06 3.99 0.52 -1.26 -0.06 118.94 124.37 1im3 s TRP 217 Ca -0.08 0.16 0.04 0.00 0.02 0.00 0.00 56.10 56.23 1im3 s TRP 217 Cb -0.07 -1.71 -0.03 0.00 -1.15 0.00 0.00 33.47 30.50 1im3 s TRP 217 CO -0.00 0.51 -0.12 -0.65 0.02 0.00 0.00 176.95 176.71 1im3 s GLN 218 N -1.60 0.74 -0.16 4.98 -0.21 0.56 -0.52 119.66 123.45 1im3 s GLN 218 Ca 0.21 -0.91 0.00 0.00 0.02 0.00 0.00 55.36 54.68 1im3 s GLN 218 Cb -0.12 -0.67 0.03 0.00 1.00 0.00 0.00 33.01 33.25 1im3 s GLN 218 CO 0.11 0.14 -0.12 0.50 -2.12 0.00 0.00 175.29 173.80 1im3 s ARG 219 N -1.73 2.14 -1.50 2.91 3.52 0.26 -0.94 118.95 123.62 1im3 s ARG 219 Ca -0.04 -0.61 -0.12 0.00 -0.13 0.00 0.00 55.73 54.83 1im3 s ARG 219 Cb -0.10 -2.15 0.07 0.00 -1.56 0.00 0.00 34.95 31.22 1im3 s ARG 219 CO 0.02 -0.29 0.97 -0.25 -0.81 0.00 0.00 175.30 174.93 1im3 n ASP 220 N 4.77 -4.53 -0.22 -2.12 8.00 -0.31 -1.57 116.55 120.56 1im3 n ASP 220 Ca -0.16 -0.77 -0.03 0.00 0.71 0.00 0.00 54.79 54.55 1im3 n ASP 220 Cb 0.49 -3.98 -0.01 0.00 -0.02 0.00 0.00 41.12 37.60 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 -1.71 0.57 3.26 0.44 0.00 -1.26 -5.02 105.19 101.47 1im3 n GLY 221 Ca 0.00 -0.28 -0.32 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.45 3.14 0.30 1.61 2.02 -0.61 -5.04 118.70 118.66 1im3 s GLU 222 Ca 0.00 -0.82 -0.27 0.00 0.02 0.00 0.00 54.97 53.89 1im3 s GLU 222 Cb 0.00 -2.40 -0.14 0.00 0.10 0.00 0.00 34.13 31.69 1im3 s GLU 222 CO 0.00 0.18 0.92 -0.25 0.02 0.00 0.00 175.26 176.13 1im3 n ASP 223 N 3.55 0.84 -3.99 -0.19 8.00 -1.26 -0.57 116.55 122.94 1im3 n ASP 223 Ca -0.19 1.15 -0.27 0.00 0.71 0.00 0.00 54.79 56.19 1im3 n ASP 223 Cb 0.53 -1.24 -0.17 0.00 -0.02 0.00 0.00 41.12 40.22 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 -1.52 1.85 -0.12 -1.24 -1.52 0.32 -4.76 119.66 112.67 1im3 s GLN 224 Ca 0.60 -0.41 -0.01 0.00 -1.95 0.00 0.00 55.36 53.59 1im3 s GLN 224 Cb -0.71 -1.70 -0.07 0.00 -0.22 0.00 0.00 33.01 30.31 1im3 s GLN 224 CO 0.59 -0.15 -0.12 2.41 -0.25 0.00 0.00 175.29 177.78 1im3 n THR 225 N 4.48 0.68 -1.88 -0.19 -1.04 -1.26 -4.39 114.28 110.68 1im3 n THR 225 Ca -0.17 -0.24 -0.41 0.00 -2.04 0.00 0.00 64.05 61.18 1im3 n THR 225 Cb 0.51 -1.07 -0.01 0.00 -1.82 0.00 0.00 70.33 67.94 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 -2.24 4.18 -1.57 -2.82 0.74 -1.26 -2.59 119.66 114.11 1im3 s GLN 226 Ca -0.16 2.47 0.00 0.00 0.05 0.00 0.00 55.36 57.72 1im3 s GLN 226 Cb 0.05 -3.02 0.00 0.00 1.10 0.00 0.00 33.01 31.14 1im3 s GLN 226 CO 0.26 -0.48 0.00 -0.25 -0.55 0.00 0.00 175.29 174.27 1im3 n ASP 227 N 1.20 -4.87 -4.54 6.67 10.43 -1.26 -4.87 116.55 119.32 1im3 n ASP 227 Ca 0.03 0.23 -0.25 0.00 2.57 0.00 0.00 54.79 57.38 1im3 n ASP 227 Cb 0.39 -3.86 -0.09 0.00 1.84 0.00 0.00 41.12 39.40 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 -2.68 2.93 -0.01 -3.53 -4.23 -1.07 -0.75 115.64 106.30 1im3 s THR 228 Ca 0.00 -2.02 0.01 0.00 -1.18 0.00 0.00 61.69 58.50 1im3 s THR 228 Cb 0.00 -2.51 0.01 0.00 1.34 0.00 0.00 72.50 71.34 1im3 s THR 228 CO 0.00 -0.28 -0.01 -0.70 -0.54 0.00 0.00 174.62 173.09 1im3 s GLU 229 N -3.26 0.21 -0.17 3.99 2.12 0.17 -4.96 118.70 116.80 1im3 s GLU 229 Ca 0.28 -0.02 -0.00 0.00 0.36 0.00 0.00 54.97 55.58 1im3 s GLU 229 Cb -0.07 -0.28 0.04 0.00 0.26 0.00 0.00 34.13 34.08 1im3 s GLU 229 CO 0.16 -0.02 -0.06 -1.17 -0.54 0.00 0.00 175.26 173.63 1im3 s LEU 230 N 0.32 1.71 0.64 2.70 2.96 -1.26 0.43 118.68 126.17 1im3 s LEU 230 Ca -0.03 -0.69 -0.11 0.00 -0.22 0.00 0.00 54.13 53.08 1im3 s LEU 230 Cb -0.05 -0.96 -0.03 0.00 0.50 0.00 0.00 46.19 45.65 1im3 s LEU 230 CO -0.01 -0.18 1.04 0.68 -1.32 0.00 0.00 176.35 176.56 1im3 s VAL 231 N 1.60 4.41 0.36 1.68 -7.23 -1.10 -5.01 120.40 115.11 1im3 s VAL 231 Ca 0.00 0.76 -0.28 0.00 -1.81 0.00 0.00 61.98 60.66 1im3 s VAL 231 Cb -0.15 -3.77 -0.10 0.00 0.56 0.00 0.00 36.38 32.91 1im3 s VAL 231 CO -0.08 -1.01 1.35 -0.70 -0.31 0.00 0.00 175.10 174.35 1im3 s GLU 232 N -5.21 4.19 0.32 4.82 2.12 -1.26 -4.66 118.70 119.02 1im3 s GLU 232 Ca 0.56 2.28 -0.29 0.00 0.36 0.00 0.00 54.97 57.88 1im3 s GLU 232 Cb -0.11 -2.96 -0.11 0.00 0.26 0.00 0.00 34.13 31.21 1im3 s GLU 232 CO 0.53 -0.35 1.57 2.41 -0.54 0.00 0.00 175.26 178.88 1im3 n THR 233 N 0.53 1.35 -4.17 -1.70 -1.04 -1.26 -4.84 114.28 103.15 1im3 n THR 233 Ca 0.01 -0.34 -0.17 0.00 -2.04 0.00 0.00 64.05 61.52 1im3 n THR 233 Cb 0.42 -2.00 -0.12 0.00 -1.82 0.00 0.00 70.33 66.81 1im3 n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1im3 s ARG 234 N -1.04 0.82 0.11 -2.82 1.70 0.06 -4.95 118.95 112.82 1im3 s ARG 234 Ca 0.60 -1.01 -0.30 0.00 -0.47 0.00 0.00 55.73 54.55 1im3 s ARG 234 Cb -0.48 -0.71 -0.06 0.00 -0.57 0.00 0.00 34.95 33.13 1im3 s ARG 234 CO 0.54 0.14 1.10 -1.25 -1.08 0.00 0.00 175.30 174.75 1im3 s PRO 235 N -2.07 4.55 0.43 3.89 0.04 -1.26 -0.27 135.00 140.30 1im3 s PRO 235 Ca 0.00 1.67 0.24 0.00 0.04 0.00 0.00 61.00 62.95 1im3 s PRO 235 Cb -0.08 -3.33 0.62 0.00 0.04 0.00 0.00 34.50 31.75 1im3 s PRO 235 CO 0.02 -0.04 1.70 0.00 0.04 0.00 0.00 177.00 178.72 1im3 h ALA 236 N 5.91 0.94 0.00 8.56 0.00 -1.37 -3.47 119.26 129.83 1im3 h ALA 236 Ca -0.43 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1im3 h ALA 236 Cb 1.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1im3 h ALA 236 CO 0.75 0.19 0.00 0.41 0.00 0.00 0.00 179.25 180.60 1im3 n GLY 237 N 0.70 0.79 0.55 0.00 0.00 -1.26 -4.92 105.19 101.05 1im3 n GLY 237 Ca 0.02 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.10 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 3.01 0.00 1.61 5.68 -1.26 -4.95 116.55 120.65 1im3 n ASP 238 Ca 0.00 -2.45 0.00 0.00 -0.50 0.00 0.00 54.79 51.84 1im3 n ASP 238 Cb 0.00 -0.32 0.00 0.00 -1.14 0.00 0.00 41.12 39.66 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 -0.21 2.71 4.03 6.12 0.00 -1.26 -5.07 105.19 111.50 1im3 n GLY 239 Ca 0.13 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.63 2.44 0.27 2.61 -4.23 -1.26 -4.88 115.64 107.96 1im3 s THR 240 Ca 0.00 -1.00 0.06 0.00 -1.18 0.00 0.00 61.69 59.56 1im3 s THR 240 Cb 0.00 -2.45 -0.06 0.00 1.34 0.00 0.00 72.50 71.34 1im3 s THR 240 CO 0.00 0.00 -0.04 -0.36 -0.54 0.00 0.00 174.62 173.68 1im3 s PHE 241 N -2.56 1.84 0.07 3.99 0.08 0.56 -0.98 117.98 120.98 1im3 s PHE 241 Ca 0.59 -0.77 0.01 0.00 0.12 0.00 0.00 56.93 56.88 1im3 s PHE 241 Cb -0.07 -1.07 -0.03 0.00 -0.57 0.00 0.00 43.02 41.28 1im3 s PHE 241 CO 0.37 0.18 -0.06 -0.65 -0.10 0.00 0.00 175.22 174.96 1im3 s GLN 242 N -3.77 0.65 -0.16 0.44 -0.21 0.63 -1.89 119.66 115.34 1im3 s GLN 242 Ca 0.29 -1.09 -0.29 0.00 0.02 0.00 0.00 55.36 54.29 1im3 s GLN 242 Cb 0.05 -0.10 0.11 0.00 1.00 0.00 0.00 33.01 34.07 1im3 s GLN 242 CO 0.11 -0.03 0.94 0.21 -2.12 0.00 0.00 175.29 174.40 1im3 s LYS 243 N -3.05 0.67 0.05 2.91 2.20 -0.17 -0.76 119.74 121.59 1im3 s LYS 243 Ca 0.02 0.27 -0.01 0.00 -0.36 0.00 0.00 55.97 55.90 1im3 s LYS 243 Cb 0.01 0.32 -0.04 0.00 -1.51 0.00 0.00 37.83 36.60 1im3 s LYS 243 CO -0.04 -0.19 -0.03 1.67 -0.36 0.00 0.00 175.35 176.40 1im3 s TRP 244 N -0.85 0.54 -0.02 4.03 1.48 -1.26 -0.69 118.94 122.17 1im3 s TRP 244 Ca -0.03 -1.03 0.02 0.00 -1.06 0.00 0.00 56.10 54.00 1im3 s TRP 244 Cb -0.01 -0.39 0.01 0.00 -1.16 0.00 0.00 33.47 31.91 1im3 s TRP 244 CO 0.02 -0.35 -0.05 0.00 -4.06 0.00 0.00 176.95 172.51 1im3 s ALA 245 N -3.75 0.54 0.14 2.67 0.00 -0.52 -2.70 121.76 118.15 1im3 s ALA 245 Ca 0.06 -0.17 0.08 0.00 0.00 0.00 0.00 51.96 51.93 1im3 s ALA 245 Cb 0.07 -0.23 -0.04 0.00 0.00 0.00 0.00 23.12 22.92 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 0.25 1.86 -0.04 0.00 0.00 0.17 0.39 121.76 124.38 1im3 s ALA 246 Ca -0.03 -1.39 -0.02 0.00 0.00 0.00 0.00 51.96 50.53 1im3 s ALA 246 Cb -0.07 -0.18 0.03 0.00 0.00 0.00 0.00 23.12 22.90 1im3 s ALA 246 CO -0.00 0.24 0.08 0.54 0.00 0.00 0.00 175.76 176.62 1im3 s VAL 247 N -1.83 -0.04 -0.22 0.00 0.11 -0.53 0.44 120.40 118.32 1im3 s VAL 247 Ca 0.12 0.14 -0.17 0.00 -2.93 0.00 0.00 61.98 59.14 1im3 s VAL 247 Cb -0.07 -0.14 -0.03 0.00 -1.53 0.00 0.00 36.38 34.61 1im3 s VAL 247 CO 0.05 0.06 0.48 -0.69 -3.33 0.00 0.00 175.10 171.67 1im3 s VAL 248 N 0.80 5.12 0.21 2.04 1.01 0.07 -1.20 120.40 128.44 1im3 s VAL 248 Ca -0.06 0.84 0.08 0.00 0.00 0.00 0.00 61.98 62.84 1im3 s VAL 248 Cb -0.09 -3.80 -0.05 0.00 0.00 0.00 0.00 36.38 32.45 1im3 s VAL 248 CO -0.03 0.17 -0.16 0.68 0.00 0.00 0.00 175.10 175.76 1im3 s VAL 249 N 1.80 1.85 0.29 2.92 -7.23 0.12 -4.92 120.40 115.23 1im3 s VAL 249 Ca 0.21 -2.20 -0.29 0.00 -1.81 0.00 0.00 61.98 57.89 1im3 s VAL 249 Cb -0.15 -2.05 -0.10 0.00 0.56 0.00 0.00 36.38 34.64 1im3 s VAL 249 CO 0.09 -0.53 1.22 -2.84 -0.31 0.00 0.00 175.10 172.73 1im3 s PRO 250 N -3.51 4.48 0.30 4.82 0.02 -1.26 -0.10 135.00 139.74 1im3 s PRO 250 Ca 0.23 2.02 -0.30 0.00 0.02 0.00 0.00 61.00 62.97 1im3 s PRO 250 Cb -0.02 -3.14 -0.12 0.00 0.02 0.00 0.00 34.50 31.24 1im3 s PRO 250 CO 0.08 -0.03 1.44 0.43 -0.33 0.00 0.00 177.00 178.59 1im3 n SER 251 N 1.23 3.17 0.00 2.53 7.64 -0.36 -1.44 113.62 126.39 1im3 n SER 251 Ca 0.00 1.17 0.00 0.00 1.01 0.00 0.00 58.87 61.05 1im3 n SER 251 Cb 0.43 -1.51 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 1.62 1.45 0.77 0.23 0.00 -1.26 -4.88 105.19 103.13 1im3 n GLY 252 Ca 0.08 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.17 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 2.89 -0.27 1.61 6.02 -0.52 -4.73 117.38 120.38 1im3 n GLN 253 Ca 0.00 -2.20 0.06 0.00 -0.01 0.00 0.00 57.00 54.84 1im3 n GLN 253 Cb 0.00 -1.36 0.20 0.00 1.02 0.00 0.00 30.24 30.09 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 2.35 0.49 0.00 -1.09 3.07 -1.90 -2.53 114.58 114.96 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 0.83 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.63 1im3 h GLU 254 CO 0.02 0.32 0.01 1.96 -1.40 0.00 0.00 179.01 179.92 1im3 h GLN 255 N 0.51 0.00 0.00 2.33 1.08 -1.87 -2.15 115.11 115.01 1im3 h GLN 255 Ca 0.43 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.61 1im3 h GLN 255 Cb 0.62 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.05 1im3 h GLN 255 CO -0.38 0.00 -0.06 0.00 -0.95 0.00 0.00 178.83 177.44 1im3 h ARG 256 N 0.00 0.00 -6.04 1.46 3.08 -1.83 -3.46 114.38 107.59 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 0.01 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.01 1im3 h ARG 256 CO 0.00 0.06 -0.15 0.71 -1.07 0.00 0.00 179.97 179.51 1im3 s TYR 257 N -3.35 3.73 0.01 3.04 1.51 -0.81 -1.17 117.35 120.31 1im3 s TYR 257 Ca 0.05 1.05 0.02 0.00 -1.01 0.00 0.00 57.07 57.19 1im3 s TYR 257 Cb 0.07 -2.37 -0.01 0.00 -0.11 0.00 0.00 41.96 39.54 1im3 s TYR 257 CO 0.64 0.59 -0.08 0.95 -1.11 0.00 0.00 175.55 176.54 1im3 s THR 258 N -0.92 0.61 -0.17 -0.71 -4.23 -0.11 -4.33 115.64 105.77 1im3 s THR 258 Ca 0.25 -0.52 -0.07 0.00 -1.18 0.00 0.00 61.69 60.17 1im3 s THR 258 Cb -0.17 -0.55 -0.04 0.00 1.34 0.00 0.00 72.50 73.07 1im3 s THR 258 CO 0.14 0.04 0.06 0.00 -0.54 0.00 0.00 174.62 174.32 1im3 s HIS 260 N 0.23 2.86 -0.21 0.00 3.76 0.91 -0.34 115.29 122.52 1im3 s HIS 260 Ca 0.04 -0.75 -0.03 0.00 -0.15 0.00 0.00 55.06 54.17 1im3 s HIS 260 Cb -0.12 -1.92 -0.00 0.00 1.11 0.00 0.00 32.58 31.64 1im3 s HIS 260 CO 0.00 -0.32 -0.07 0.08 -0.85 0.00 0.00 174.74 173.58 1im3 s VAL 261 N 0.70 3.13 -0.11 -0.90 1.01 -0.03 -1.44 120.40 122.77 1im3 s VAL 261 Ca -0.05 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.36 1im3 s VAL 261 Cb -0.15 -2.41 -0.01 0.00 0.00 0.00 0.00 36.38 33.81 1im3 s VAL 261 CO 0.02 0.45 -0.16 -1.10 0.00 0.00 0.00 175.10 174.31 1im3 s GLN 262 N 1.36 3.19 -0.22 2.72 -0.21 -0.20 -1.33 119.66 124.97 1im3 s GLN 262 Ca 0.05 -0.73 -0.27 0.00 0.02 0.00 0.00 55.36 54.43 1im3 s GLN 262 Cb -0.14 -2.52 0.09 0.00 1.00 0.00 0.00 33.01 31.44 1im3 s GLN 262 CO -0.04 0.26 0.81 -1.58 -2.12 0.00 0.00 175.29 172.62 1im3 s HIS 263 N 0.21 -0.65 0.55 0.91 2.46 -1.26 -1.71 115.29 115.79 1im3 s HIS 263 Ca -0.10 1.49 0.41 0.00 0.47 0.00 0.00 55.06 57.33 1im3 s HIS 263 Cb -0.16 0.33 2.21 0.00 -0.13 0.00 0.00 32.58 34.84 1im3 s HIS 263 CO 0.06 -0.38 2.24 0.93 -2.47 0.00 0.00 174.74 175.12 1im3 h GLU 264 N 4.23 0.00 -0.12 2.88 5.08 -1.94 -1.74 114.58 122.97 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 0.15 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.57 1im3 n GLY 265 N -1.12 -0.19 3.45 -3.84 0.00 -1.26 -4.83 105.19 97.40 1im3 n GLY 265 Ca -0.03 -0.28 -0.33 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.45 2.85 0.32 0.99 1.43 -0.66 -4.38 118.68 117.79 1im3 s LEU 266 Ca 0.27 -0.22 0.02 0.00 -1.03 0.00 0.00 54.13 53.17 1im3 s LEU 266 Cb 0.14 -1.63 0.58 0.00 0.03 0.00 0.00 46.19 45.31 1im3 s LEU 266 CO 0.21 0.25 1.92 -0.65 0.23 0.00 0.00 176.35 178.31 1im3 h PRO 267 N 6.10 0.93 -3.13 1.29 0.11 -1.88 -3.44 132.00 131.99 1im3 h PRO 267 Ca -0.36 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 65.61 1im3 h PRO 267 Cb 1.19 -0.21 -0.17 0.00 0.11 0.00 0.00 31.00 31.92 1im3 h PRO 267 CO 0.54 0.62 -0.16 -1.59 -0.21 0.00 0.00 178.00 177.20 1im3 s LYS 268 N -5.85 0.87 0.46 1.05 -2.85 -1.26 -5.15 119.74 107.01 1im3 s LYS 268 Ca -0.11 -0.41 -0.22 0.00 -1.00 0.00 0.00 55.97 54.23 1im3 s LYS 268 Cb 0.20 0.39 -0.11 0.00 -2.06 0.00 0.00 37.83 36.24 1im3 s LYS 268 CO 0.79 -0.29 0.71 -2.30 0.10 0.00 0.00 175.35 174.36 1im3 n PRO 269 N 0.56 0.81 -4.00 1.78 -0.02 -1.26 -4.98 135.00 127.90 1im3 n PRO 269 Ca -0.19 0.30 -0.31 0.00 -2.02 0.00 0.00 63.50 61.28 1im3 n PRO 269 Cb 0.60 -1.74 -0.05 0.00 -0.02 0.00 0.00 33.50 32.28 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 0.64 4.07 -0.09 2.45 1.43 -0.44 -4.94 118.68 121.80 1im3 s LEU 270 Ca 0.65 0.14 0.01 0.00 -1.03 0.00 0.00 54.13 53.90 1im3 s LEU 270 Cb -0.55 -2.64 0.02 0.00 0.03 0.00 0.00 46.19 43.04 1im3 s LEU 270 CO 0.56 0.19 -0.12 -0.89 0.23 0.00 0.00 176.35 176.33 1im3 s THR 271 N -1.40 1.22 0.03 5.49 2.01 -1.26 -0.85 115.64 120.88 1im3 s THR 271 Ca 0.30 -0.47 0.08 0.00 0.31 0.00 0.00 61.69 61.91 1im3 s THR 271 Cb -0.12 -1.14 -0.03 0.00 0.01 0.00 0.00 72.50 71.21 1im3 s THR 271 CO 0.23 0.39 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.56 1im3 s LEU 272 N 1.08 2.36 0.05 4.42 1.02 0.54 -4.95 118.68 123.20 1im3 s LEU 272 Ca -0.06 -0.50 0.03 0.00 0.02 0.00 0.00 54.13 53.63 1im3 s LEU 272 Cb -0.14 -1.39 -0.03 0.00 0.02 0.00 0.00 46.19 44.65 1im3 s LEU 272 CO -0.02 0.27 -0.10 -0.60 0.02 0.00 0.00 176.35 175.92 1im3 s ARG 273 N -1.23 0.64 0.05 1.70 3.52 -1.26 -0.74 118.95 121.62 1im3 s ARG 273 Ca 0.13 -0.81 -0.31 0.00 -0.13 0.00 0.00 55.73 54.61 1im3 s ARG 273 Cb -0.10 -0.50 -0.07 0.00 -1.56 0.00 0.00 34.95 32.72 1im3 s ARG 273 CO 0.03 0.10 1.54 -0.46 -0.81 0.00 0.00 175.30 175.70 1im3 s TRP 274 N -1.29 2.65 0.00 5.12 -0.00 -1.26 -5.01 118.94 119.15 1im3 s TRP 274 Ca -0.07 0.55 0.00 0.00 -0.00 0.00 0.00 56.10 56.58 1im3 s TRP 274 Cb -0.10 -3.84 0.00 0.00 -0.00 0.00 0.00 33.47 29.54 1im3 s TRP 274 CO 0.01 -3.25 0.00 0.39 -0.00 0.00 0.00 176.95 174.10