#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rk1 s PRO 2 N 0.00 2.62 0.04 1.61 0.04 -1.26 -3.64 135.00 134.41 1rk1 s PRO 2 Ca 0.00 1.41 -0.00 0.00 0.04 0.00 0.00 61.00 62.45 1rk1 s PRO 2 Cb 0.00 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.58 1rk1 s PRO 2 CO 0.00 -1.40 -0.03 -1.01 0.04 0.00 0.00 177.00 174.60 1rk1 s HIS 3 N -2.37 0.44 0.10 0.56 3.76 0.06 -4.96 115.29 112.90 1rk1 s HIS 3 Ca 0.67 -0.82 0.03 0.00 -0.15 0.00 0.00 55.06 54.79 1rk1 s HIS 3 Cb -0.21 -0.32 -0.04 0.00 1.11 0.00 0.00 32.58 33.12 1rk1 s HIS 3 CO 0.44 -0.28 -0.09 -1.54 -0.85 0.00 0.00 174.74 172.43 1rk1 s SER 4 N -2.28 1.37 -0.15 1.40 1.04 -1.26 -0.73 113.70 113.10 1rk1 s SER 4 Ca -0.03 -0.91 0.00 0.00 0.48 0.00 0.00 55.95 55.50 1rk1 s SER 4 Cb -0.00 0.04 0.03 0.00 0.10 0.00 0.00 66.02 66.18 1rk1 s SER 4 CO -0.06 -0.35 -0.11 -0.22 0.98 0.00 0.00 173.24 173.48 1rk1 s LEU 5 N -2.75 1.61 -0.00 2.42 2.96 -0.32 -0.71 118.68 121.88 1rk1 s LEU 5 Ca 0.09 -0.49 0.03 0.00 -0.22 0.00 0.00 54.13 53.54 1rk1 s LEU 5 Cb 0.01 -1.08 -0.01 0.00 0.50 0.00 0.00 46.19 45.61 1rk1 s LEU 5 CO -0.02 -0.09 -0.08 -0.13 -1.32 0.00 0.00 176.35 174.71 1rk1 s ARG 6 N 1.55 0.67 -0.16 1.98 0.52 -0.04 -1.80 118.95 121.67 1rk1 s ARG 6 Ca 0.04 -0.33 0.02 0.00 -0.52 0.00 0.00 55.73 54.94 1rk1 s ARG 6 Cb -0.13 -0.64 0.02 0.00 0.52 0.00 0.00 34.95 34.71 1rk1 s ARG 6 CO -0.10 0.17 -0.20 0.71 0.02 0.00 0.00 175.30 175.90 1rk1 s TYR 7 N -0.26 2.67 -0.33 -0.53 2.02 0.54 -0.12 117.35 121.34 1rk1 s TYR 7 Ca 0.03 -1.47 -0.12 0.00 -0.37 0.00 0.00 57.07 55.14 1rk1 s TYR 7 Cb -0.04 -1.84 -0.01 0.00 -0.40 0.00 0.00 41.96 39.67 1rk1 s TYR 7 CO -0.00 -0.70 0.21 -0.06 -1.57 0.00 0.00 175.55 173.42 1rk1 s PHE 8 N 1.07 3.21 -0.08 2.71 0.40 0.11 -1.91 117.98 123.49 1rk1 s PHE 8 Ca -0.01 -0.39 0.01 0.00 -0.60 0.00 0.00 56.93 55.95 1rk1 s PHE 8 Cb -0.14 -2.43 -0.02 0.00 0.51 0.00 0.00 43.02 40.94 1rk1 s PHE 8 CO -0.07 -0.41 -0.12 0.08 0.70 0.00 0.00 175.22 175.39 1rk1 s VAL 9 N 1.67 3.24 -0.02 -0.44 1.01 0.16 -0.96 120.40 125.06 1rk1 s VAL 9 Ca 0.05 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.41 1rk1 s VAL 9 Cb -0.17 -2.32 0.02 0.00 0.00 0.00 0.00 36.38 33.91 1rk1 s VAL 9 CO 0.09 0.57 -0.01 -0.89 0.00 0.00 0.00 175.10 174.86 1rk1 s THR 10 N -0.36 0.19 -0.10 3.92 2.01 -0.05 -0.83 115.64 120.41 1rk1 s THR 10 Ca 0.04 0.04 0.01 0.00 0.31 0.00 0.00 61.69 62.10 1rk1 s THR 10 Cb -0.12 -0.26 0.02 0.00 0.01 0.00 0.00 72.50 72.14 1rk1 s THR 10 CO 0.02 0.13 -0.12 0.00 -0.69 0.00 0.00 174.62 173.97 1rk1 s ALA 11 N 0.81 1.49 -0.13 7.40 0.00 -0.46 -0.58 121.76 130.29 1rk1 s ALA 11 Ca -0.08 -0.61 -0.01 0.00 0.00 0.00 0.00 51.96 51.26 1rk1 s ALA 11 Cb -0.11 -0.82 0.03 0.00 0.00 0.00 0.00 23.12 22.21 1rk1 s ALA 11 CO -0.01 -0.18 -0.06 0.08 0.00 0.00 0.00 175.76 175.58 1rk1 s VAL 12 N 1.21 1.01 0.62 0.00 1.01 -0.03 -1.17 120.40 123.05 1rk1 s VAL 12 Ca -0.03 -0.37 -0.13 0.00 0.00 0.00 0.00 61.98 61.45 1rk1 s VAL 12 Cb -0.14 -1.09 -0.03 0.00 0.00 0.00 0.00 36.38 35.12 1rk1 s VAL 12 CO -0.04 0.29 1.04 -0.94 0.00 0.00 0.00 175.10 175.45 1rk1 s SER 13 N 1.70 5.93 -0.47 3.32 1.04 -0.72 -0.95 113.70 123.55 1rk1 s SER 13 Ca 0.04 1.58 0.06 0.00 0.48 0.00 0.00 55.95 58.11 1rk1 s SER 13 Cb -0.13 -2.50 0.21 0.00 0.10 0.00 0.00 66.02 63.70 1rk1 s SER 13 CO -0.08 -1.07 0.67 -2.11 0.98 0.00 0.00 173.24 171.63 1rk1 n ARG 14 N -2.56 0.56 -1.55 4.02 1.85 -1.26 -4.04 116.66 113.68 1rk1 n ARG 14 Ca 0.07 -2.34 -0.51 0.00 -1.00 0.00 0.00 57.85 54.08 1rk1 n ARG 14 Cb 0.54 -1.47 -0.05 0.00 -1.05 0.00 0.00 32.46 30.43 1rk1 n ARG 14 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 1rk1 n PRO 15 N 2.35 0.88 -0.19 2.89 -0.02 -1.26 -1.11 135.00 138.54 1rk1 n PRO 15 Ca 0.18 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 1rk1 n PRO 15 Cb 0.56 -1.78 0.00 0.00 -0.02 0.00 0.00 33.50 32.26 1rk1 n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rk1 n GLY 16 N 1.99 2.24 0.11 -1.23 0.00 -1.26 -4.83 105.19 102.20 1rk1 n GLY 16 Ca 0.16 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.24 1rk1 n GLY 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1rk1 n LEU 17 N 0.00 2.32 0.00 0.99 4.77 -0.27 -5.11 117.00 119.70 1rk1 n LEU 17 Ca 0.00 -2.63 0.00 0.00 -0.03 0.00 0.00 56.01 53.35 1rk1 n LEU 17 Cb 0.00 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 1rk1 n LEU 17 CO 0.00 0.63 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 1rk1 n GLY 18 N -0.96 -1.31 3.78 -0.72 0.00 -1.25 -5.02 105.19 99.72 1rk1 n GLY 18 Ca 0.10 -2.09 -0.33 0.00 0.00 0.00 0.00 46.02 43.70 1rk1 n GLY 18 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1rk1 s GLU 19 N 0.00 2.98 0.54 1.61 1.03 -1.26 -4.57 118.70 119.02 1rk1 s GLU 19 Ca 0.00 1.36 -0.21 0.00 0.03 0.00 0.00 54.97 56.15 1rk1 s GLU 19 Cb 0.00 -1.98 -0.06 0.00 -0.80 0.00 0.00 34.13 31.29 1rk1 s GLU 19 CO 0.00 -1.10 1.21 -2.30 -1.33 0.00 0.00 175.26 171.74 1rk1 n PRO 20 N -2.22 1.47 -2.82 -4.83 -0.02 -1.26 -4.76 135.00 120.55 1rk1 n PRO 20 Ca 0.10 0.54 -0.40 0.00 -2.02 0.00 0.00 63.50 61.72 1rk1 n PRO 20 Cb 0.52 -2.39 -0.05 0.00 -0.02 0.00 0.00 33.50 31.56 1rk1 n PRO 20 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1rk1 s ARG 21 N -2.70 4.64 -0.09 -0.52 3.52 -0.12 -4.84 118.95 118.84 1rk1 s ARG 21 Ca 0.71 1.32 0.02 0.00 -0.13 0.00 0.00 55.73 57.65 1rk1 s ARG 21 Cb -0.44 -3.36 0.01 0.00 -1.56 0.00 0.00 34.95 29.61 1rk1 s ARG 21 CO 0.50 0.29 -0.15 -0.47 -0.81 0.00 0.00 175.30 174.66 1rk1 s TYR 22 N -0.21 1.82 0.02 5.12 5.04 -1.26 -0.85 117.35 127.02 1rk1 s TYR 22 Ca 0.43 -0.78 0.03 0.00 -2.44 0.00 0.00 57.07 54.31 1rk1 s TYR 22 Cb -0.23 -1.31 -0.01 0.00 0.35 0.00 0.00 41.96 40.76 1rk1 s TYR 22 CO 0.28 -0.39 -0.09 -1.64 -1.34 0.00 0.00 175.55 172.37 1rk1 s MET 23 N 0.81 0.64 -0.06 4.97 -1.94 0.25 -0.99 119.30 122.98 1rk1 s MET 23 Ca -0.11 -0.48 0.01 0.00 -1.71 0.00 0.00 55.69 53.40 1rk1 s MET 23 Cb -0.16 -0.58 0.02 0.00 2.01 0.00 0.00 34.83 36.13 1rk1 s MET 23 CO 0.02 0.15 -0.07 -1.21 -0.01 0.00 0.00 175.02 173.89 1rk1 s GLU 24 N -0.71 1.17 -0.07 2.03 2.02 -0.03 -0.87 118.70 122.23 1rk1 s GLU 24 Ca -0.01 -0.21 0.01 0.00 0.02 0.00 0.00 54.97 54.78 1rk1 s GLU 24 Cb -0.06 -1.10 0.02 0.00 0.10 0.00 0.00 34.13 33.09 1rk1 s GLU 24 CO 0.00 -0.07 -0.08 0.08 0.02 0.00 0.00 175.26 175.21 1rk1 s VAL 25 N 0.95 0.86 0.00 2.63 1.01 -0.13 -0.96 120.40 124.76 1rk1 s VAL 25 Ca -0.10 -0.27 0.03 0.00 0.00 0.00 0.00 61.98 61.64 1rk1 s VAL 25 Cb -0.15 -0.85 -0.03 0.00 0.00 0.00 0.00 36.38 35.35 1rk1 s VAL 25 CO 0.00 0.31 -0.04 -0.83 0.00 0.00 0.00 175.10 174.55 1rk1 s GLY 26 N 1.11 1.81 0.02 4.51 0.00 -0.46 0.06 107.32 114.38 1rk1 s GLY 26 Ca -0.07 -0.99 0.03 0.00 0.00 0.00 0.00 44.72 43.69 1rk1 s GLY 26 CO -0.01 -0.86 -0.10 -0.19 0.00 0.00 0.00 173.10 171.94 1rk1 s TYR 27 N -1.04 0.88 -0.26 1.90 1.51 0.83 -1.26 117.35 119.91 1rk1 s TYR 27 Ca 0.18 -0.30 -0.02 0.00 -1.01 0.00 0.00 57.07 55.92 1rk1 s TYR 27 Cb -0.11 -0.54 0.03 0.00 -0.11 0.00 0.00 41.96 41.23 1rk1 s TYR 27 CO 0.09 -0.01 -0.04 0.08 -1.11 0.00 0.00 175.55 174.56 1rk1 s VAL 28 N -0.73 3.01 0.00 0.71 1.01 -0.60 -0.86 120.40 122.94 1rk1 s VAL 28 Ca -0.01 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 60.96 1rk1 s VAL 28 Cb -0.07 -2.55 0.00 0.00 0.00 0.00 0.00 36.38 33.77 1rk1 s VAL 28 CO 0.00 0.16 0.00 0.47 0.00 0.00 0.00 175.10 175.74 1rk1 n ASP 29 N 4.69 0.00 -1.58 3.32 8.00 0.12 -1.14 116.55 129.95 1rk1 n ASP 29 Ca -0.16 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.42 1rk1 n ASP 29 Cb 0.47 0.00 0.35 0.00 -0.02 0.00 0.00 41.12 41.92 1rk1 n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1rk1 n ASP 30 N 5.86 4.69 -4.40 -2.24 10.43 -1.26 -4.92 116.55 124.71 1rk1 n ASP 30 Ca 0.00 -2.50 -0.36 0.00 2.57 0.00 0.00 54.79 54.50 1rk1 n ASP 30 Cb 0.00 -0.58 -0.13 0.00 1.84 0.00 0.00 41.12 42.25 1rk1 n ASP 30 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 1rk1 s THR 31 N -1.98 3.99 0.12 -3.53 2.01 -0.29 -5.02 115.64 110.93 1rk1 s THR 31 Ca 0.49 -0.28 -0.31 0.00 0.31 0.00 0.00 61.69 61.89 1rk1 s THR 31 Cb 0.33 -2.85 -0.08 0.00 0.01 0.00 0.00 72.50 69.90 1rk1 s THR 31 CO 0.22 0.37 1.46 -0.70 -0.69 0.00 0.00 174.62 175.28 1rk1 s GLU 32 N 1.55 4.28 0.00 4.92 2.12 -1.26 -1.56 118.70 128.75 1rk1 s GLU 32 Ca 0.06 2.17 0.00 0.00 0.36 0.00 0.00 54.97 57.56 1rk1 s GLU 32 Cb -0.15 -3.28 0.00 0.00 0.26 0.00 0.00 34.13 30.96 1rk1 s GLU 32 CO 0.01 -0.52 0.00 1.97 -0.54 0.00 0.00 175.26 176.18 1rk1 n PHE 33 N 4.22 0.00 -3.82 5.30 -1.74 -0.39 -4.02 117.46 117.00 1rk1 n PHE 33 Ca 0.13 0.00 -0.10 0.00 -0.56 0.00 0.00 57.45 56.92 1rk1 n PHE 33 Cb 0.41 0.00 -0.08 0.00 1.52 0.00 0.00 39.48 41.33 1rk1 n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 1rk1 s VAL 34 N -1.15 0.11 -0.07 1.97 -7.23 -1.22 -0.07 120.40 112.75 1rk1 s VAL 34 Ca 0.00 -0.93 -0.24 0.00 -1.81 0.00 0.00 61.98 59.00 1rk1 s VAL 34 Cb 0.00 -1.06 0.05 0.00 0.56 0.00 0.00 36.38 35.93 1rk1 s VAL 34 CO 0.00 -0.51 0.55 -0.60 -0.31 0.00 0.00 175.10 174.23 1rk1 s ARG 35 N -3.02 0.87 -0.03 4.82 3.52 -0.47 -1.35 118.95 123.29 1rk1 s ARG 35 Ca -0.02 0.24 -0.01 0.00 -0.13 0.00 0.00 55.73 55.82 1rk1 s ARG 35 Cb 0.01 0.41 0.03 0.00 -1.56 0.00 0.00 34.95 33.84 1rk1 s ARG 35 CO -0.06 -0.24 0.04 0.12 -0.81 0.00 0.00 175.30 174.35 1rk1 s PHE 36 N -0.92 0.04 -0.19 5.12 5.36 -0.13 -0.63 117.98 126.62 1rk1 s PHE 36 Ca -0.10 0.17 -0.03 0.00 -0.96 0.00 0.00 56.93 56.02 1rk1 s PHE 36 Cb -0.02 -0.30 0.06 0.00 -0.34 0.00 0.00 43.02 42.41 1rk1 s PHE 36 CO 0.06 -0.12 0.03 0.34 -1.46 0.00 0.00 175.22 174.07 1rk1 s ASP 37 N 1.37 2.89 0.50 6.13 -1.08 -1.26 -0.85 116.67 124.37 1rk1 s ASP 37 Ca -0.05 -0.80 0.34 0.00 -0.52 0.00 0.00 52.55 51.52 1rk1 s ASP 37 Cb -0.13 -0.62 1.83 0.00 -1.46 0.00 0.00 42.92 42.54 1rk1 s ASP 37 CO -0.03 -0.29 2.04 0.77 0.52 0.00 0.00 175.17 178.17 1rk1 h SER 38 N 8.23 0.00 0.70 -0.34 4.64 -1.46 -1.49 113.55 123.84 1rk1 h SER 38 Ca -0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 1rk1 h SER 38 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1rk1 h SER 38 CO 0.34 0.00 -0.27 0.47 -0.87 0.00 0.00 176.83 176.50 1rk1 n ASP 39 N -2.69 0.29 -4.71 4.97 8.00 -1.26 -4.74 116.55 116.41 1rk1 n ASP 39 Ca -0.02 0.05 -0.34 0.00 0.71 0.00 0.00 54.79 55.19 1rk1 n ASP 39 Cb 0.06 -0.09 0.12 0.00 -0.02 0.00 0.00 41.12 41.19 1rk1 n ASP 39 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rk1 s ALA 40 N -2.97 1.94 0.20 2.24 0.00 -0.56 -4.89 121.76 117.72 1rk1 s ALA 40 Ca 0.13 0.87 -0.18 0.00 0.00 0.00 0.00 51.96 52.78 1rk1 s ALA 40 Cb 0.18 -3.49 0.17 0.00 0.00 0.00 0.00 23.12 19.98 1rk1 s ALA 40 CO 0.62 -2.16 1.60 0.93 0.00 0.00 0.00 175.76 176.74 1rk1 h GLU 41 N -0.68 -0.11 -2.79 0.00 3.07 -1.90 -3.27 114.58 108.90 1rk1 h GLU 41 Ca -0.47 0.01 -0.60 0.00 -0.50 0.00 0.00 59.36 57.80 1rk1 h GLU 41 Cb 1.30 0.03 -0.40 0.00 -0.84 0.00 0.00 28.75 28.84 1rk1 h GLU 41 CO 0.47 -0.07 -0.79 1.21 -1.40 0.00 0.00 179.01 178.43 1rk1 s ASN 42 N -5.18 3.22 -0.27 1.42 2.47 -1.26 -5.11 114.94 110.23 1rk1 s ASN 42 Ca -0.14 -2.61 -0.39 0.00 0.42 0.00 0.00 52.86 50.14 1rk1 s ASN 42 Cb 0.17 -0.79 -0.15 0.00 -1.45 0.00 0.00 41.25 39.03 1rk1 s ASN 42 CO 0.71 -0.26 1.82 -0.81 -3.72 0.00 0.00 177.10 174.84 1rk1 n PRO 43 N 3.53 1.27 -3.86 0.43 -0.04 -1.24 -4.97 135.00 130.12 1rk1 n PRO 43 Ca 0.13 0.45 -0.10 0.00 -0.04 0.00 0.00 63.50 63.94 1rk1 n PRO 43 Cb 0.37 -2.21 -0.09 0.00 -0.04 0.00 0.00 33.50 31.54 1rk1 n PRO 43 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1rk1 s ARG 44 N 3.97 0.65 0.04 0.54 1.81 -1.26 -5.04 118.95 119.66 1rk1 s ARG 44 Ca 0.99 -0.61 -0.30 0.00 -1.72 0.00 0.00 55.73 54.09 1rk1 s ARG 44 Cb -1.01 0.27 -0.05 0.00 -0.45 0.00 0.00 34.95 33.71 1rk1 s ARG 44 CO 0.62 -0.18 1.14 -0.47 -0.68 0.00 0.00 175.30 175.73 1rk1 s TYR 45 N -2.39 3.50 0.05 -0.53 6.14 -1.26 -4.56 117.35 118.30 1rk1 s TYR 45 Ca -0.06 1.42 0.07 0.00 0.64 0.00 0.00 57.07 59.13 1rk1 s TYR 45 Cb -0.02 -3.33 -0.03 0.00 0.42 0.00 0.00 41.96 39.00 1rk1 s TYR 45 CO -0.03 -0.91 -0.20 -1.21 0.64 0.00 0.00 175.55 173.84 1rk1 s GLU 46 N 1.05 1.31 0.48 4.97 2.02 0.20 -4.90 118.70 123.82 1rk1 s GLU 46 Ca 0.57 -0.96 -0.21 0.00 0.02 0.00 0.00 54.97 54.39 1rk1 s GLU 46 Cb -0.27 -1.43 -0.08 0.00 0.10 0.00 0.00 34.13 32.45 1rk1 s GLU 46 CO 0.29 0.36 1.09 -1.25 0.02 0.00 0.00 175.26 175.76 1rk1 s PRO 47 N -1.29 3.74 0.00 0.39 0.04 -1.26 -1.36 135.00 135.26 1rk1 s PRO 47 Ca 0.07 1.53 0.00 0.00 0.04 0.00 0.00 61.00 62.63 1rk1 s PRO 47 Cb -0.09 -2.21 0.00 0.00 0.04 0.00 0.00 34.50 32.24 1rk1 s PRO 47 CO 0.02 -0.51 0.29 0.54 0.04 0.00 0.00 177.00 177.38 1rk1 n ARG 48 N -0.80 0.15 -4.39 4.56 5.12 0.90 -4.84 116.66 117.36 1rk1 n ARG 48 Ca 0.09 -0.29 -0.19 0.00 -1.93 0.00 0.00 57.85 55.53 1rk1 n ARG 48 Cb 0.51 -0.77 -0.15 0.00 -1.16 0.00 0.00 32.46 30.89 1rk1 n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1rk1 s ALA 49 N -0.10 0.80 0.26 7.54 0.00 -1.23 -4.68 121.76 124.34 1rk1 s ALA 49 Ca 0.00 -0.43 -0.02 0.00 0.00 0.00 0.00 51.96 51.51 1rk1 s ALA 49 Cb 0.00 -0.20 0.50 0.00 0.00 0.00 0.00 23.12 23.42 1rk1 s ALA 49 CO 0.00 0.19 1.75 -0.09 0.00 0.00 0.00 175.76 177.62 1rk1 h ARG 50 N 5.85 0.56 0.00 0.00 9.65 -1.94 -1.63 114.38 126.87 1rk1 h ARG 50 Ca -0.31 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.53 1rk1 h ARG 50 Cb 1.18 -0.13 0.00 0.00 -1.39 0.00 0.00 29.97 29.63 1rk1 h ARG 50 CO 0.49 0.37 0.00 -2.67 2.80 0.00 0.00 179.97 180.96 1rk1 n TRP 51 N -4.90 0.38 1.29 2.20 4.27 -1.26 -1.84 117.44 117.57 1rk1 n TRP 51 Ca 0.16 0.18 0.11 0.00 -3.89 0.00 0.00 57.50 54.06 1rk1 n TRP 51 Cb 0.42 -0.79 0.64 0.00 -1.36 0.00 0.00 31.31 30.21 1rk1 n TRP 51 CO 0.00 0.00 0.00 -1.33 -2.29 0.00 0.00 177.69 174.07 1rk1 n MET 52 N -1.87 0.56 0.08 -2.67 2.81 -0.61 -2.26 117.12 113.15 1rk1 n MET 52 Ca 0.00 0.03 0.10 0.00 -1.81 0.00 0.00 57.70 56.02 1rk1 n MET 52 Cb 0.07 -1.50 0.42 0.00 -0.71 0.00 0.00 33.22 31.49 1rk1 n MET 52 CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63 1rk1 n GLU 53 N -1.11 0.11 0.02 0.03 0.28 -0.77 -2.25 120.64 116.96 1rk1 n GLU 53 Ca 0.15 0.36 0.11 0.00 -0.16 0.00 0.00 57.16 57.62 1rk1 n GLU 53 Cb 0.12 -1.72 0.48 0.00 1.43 0.00 0.00 31.44 31.75 1rk1 n GLU 53 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1rk1 n GLN 54 N -1.94 0.05 -3.22 3.44 6.02 -0.96 -4.73 117.38 116.04 1rk1 n GLN 54 Ca 0.03 0.15 -0.39 0.00 -0.01 0.00 0.00 57.00 56.78 1rk1 n GLN 54 Cb 0.20 -1.57 -0.06 0.00 1.02 0.00 0.00 30.24 29.84 1rk1 n GLN 54 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1rk1 s GLU 55 N -3.04 4.31 1.19 -1.09 0.41 -0.95 -5.07 118.70 114.46 1rk1 s GLU 55 Ca 0.10 0.69 -0.19 0.00 -0.41 0.00 0.00 54.97 55.16 1rk1 s GLU 55 Cb 0.14 -3.36 0.28 0.00 -1.78 0.00 0.00 34.13 29.42 1rk1 s GLU 55 CO 0.44 0.33 1.13 0.20 -0.49 0.00 0.00 175.26 176.86 1rk1 s GLY 56 N -0.02 1.60 0.48 -1.39 0.00 -1.26 -4.91 107.32 101.81 1rk1 s GLY 56 Ca 0.30 -1.00 0.23 0.00 0.00 0.00 0.00 44.72 44.25 1rk1 s GLY 56 CO 0.16 -0.11 2.00 -0.56 0.00 0.00 0.00 173.10 174.58 1rk1 h PRO 57 N -2.54 0.00 -0.56 2.90 0.13 -1.97 -2.83 132.00 127.13 1rk1 h PRO 57 Ca -0.44 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.70 1rk1 h PRO 57 Cb 1.29 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.38 1rk1 h PRO 57 CO 0.33 0.18 0.36 0.93 -0.23 0.00 0.00 178.00 179.57 1rk1 h GLU 58 N 0.00 0.70 -0.02 0.86 3.07 -1.99 -1.62 114.58 115.58 1rk1 h GLU 58 Ca -0.00 -0.04 0.03 0.00 -0.50 0.00 0.00 59.36 58.85 1rk1 h GLU 58 Cb 0.42 -0.16 -0.04 0.00 -0.84 0.00 0.00 28.75 28.13 1rk1 h GLU 58 CO 0.02 0.47 -0.19 -0.92 -1.40 0.00 0.00 179.01 176.98 1rk1 h TYR 59 N 0.72 -0.51 -0.67 4.33 5.03 -1.85 0.13 116.97 124.15 1rk1 h TYR 59 Ca 0.21 0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.52 1rk1 h TYR 59 Cb -0.05 0.23 -0.03 0.00 1.55 0.00 0.00 36.73 38.43 1rk1 h TYR 59 CO -0.04 -0.28 0.34 -1.49 -1.32 0.00 0.00 178.16 175.37 1rk1 h TRP 60 N -0.30 0.93 -0.21 -3.82 4.06 -1.56 0.04 115.95 115.08 1rk1 h TRP 60 Ca 0.06 -0.03 -0.05 0.00 2.06 0.00 0.00 58.89 60.94 1rk1 h TRP 60 Cb 0.39 -0.30 -0.01 0.00 -1.00 0.00 0.00 29.16 28.25 1rk1 h TRP 60 CO -0.25 0.67 -0.07 1.49 -3.56 0.00 0.00 178.44 176.72 1rk1 h GLU 61 N 0.95 0.42 -0.51 0.49 4.57 -0.90 -0.98 114.58 118.63 1rk1 h GLU 61 Ca 0.24 -0.17 -0.04 0.00 -1.18 0.00 0.00 59.36 58.21 1rk1 h GLU 61 Cb 0.07 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.61 1rk1 h GLU 61 CO -0.03 0.68 0.15 -0.09 -1.18 0.00 0.00 179.01 178.53 1rk1 h ARG 62 N 0.14 0.79 -0.19 1.92 2.43 -0.67 -0.97 114.38 117.83 1rk1 h ARG 62 Ca 0.05 -0.18 -0.12 0.00 -0.81 0.00 0.00 59.98 58.93 1rk1 h ARG 62 Cb 0.53 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.96 1rk1 h ARG 62 CO 0.02 0.75 -0.39 0.93 -1.51 0.00 0.00 179.97 179.77 1rk1 h GLU 63 N 0.69 0.44 -0.39 0.20 4.39 -1.00 -0.64 114.58 118.27 1rk1 h GLU 63 Ca 0.16 -0.21 -0.08 0.00 0.34 0.00 0.00 59.36 59.57 1rk1 h GLU 63 Cb 0.29 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 1rk1 h GLU 63 CO -0.00 0.77 -0.06 1.15 -1.16 0.00 0.00 179.01 179.71 1rk1 h THR 64 N 0.37 1.27 -0.54 1.13 2.02 -0.93 -0.60 112.91 115.63 1rk1 h THR 64 Ca 0.03 -1.12 -0.11 0.00 0.77 0.00 0.00 66.41 65.99 1rk1 h THR 64 Cb 0.85 1.20 -0.02 0.00 -1.74 0.00 0.00 68.15 68.44 1rk1 h THR 64 CO 0.07 0.37 -0.10 1.56 0.37 0.00 0.00 175.52 177.79 1rk1 h GLN 65 N 0.55 1.02 -0.70 6.66 1.08 -1.01 -1.57 115.11 121.14 1rk1 h GLN 65 Ca 0.10 -0.37 -0.05 0.00 -1.45 0.00 0.00 58.65 56.88 1rk1 h GLN 65 Cb 0.56 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 27.89 1rk1 h GLN 65 CO 0.03 1.06 0.25 -0.22 -0.95 0.00 0.00 178.83 179.00 1rk1 h LYS 66 N 0.91 1.05 -0.46 1.46 3.64 -0.99 -1.40 116.57 120.78 1rk1 h LYS 66 Ca 0.14 -0.20 -0.11 0.00 -1.27 0.00 0.00 60.65 59.22 1rk1 h LYS 66 Cb 0.67 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 1rk1 h LYS 66 CO 0.05 0.87 -0.14 0.00 -2.27 0.00 0.00 179.45 177.96 1rk1 h ALA 67 N 1.25 0.64 -0.24 5.00 0.00 -0.82 -1.11 119.26 123.97 1rk1 h ALA 67 Ca 0.23 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 1rk1 h ALA 67 Cb 0.24 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1rk1 h ALA 67 CO -0.01 0.56 -0.21 0.87 0.00 0.00 0.00 179.25 180.46 1rk1 h LYS 68 N 0.75 0.44 -0.36 0.00 1.57 -1.03 0.37 116.57 118.31 1rk1 h LYS 68 Ca 0.11 -0.15 -0.07 0.00 -1.87 0.00 0.00 60.65 58.68 1rk1 h LYS 68 Cb 0.70 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 1rk1 h LYS 68 CO 0.05 0.63 -0.04 0.78 -0.57 0.00 0.00 179.45 180.29 1rk1 h GLY 69 N 0.98 0.71 1.13 3.86 0.00 -1.02 -2.02 103.07 106.71 1rk1 h GLY 69 Ca 0.06 -0.56 -0.05 0.00 0.00 0.00 0.00 47.33 46.78 1rk1 h GLY 69 CO 0.04 0.51 0.23 3.43 0.00 0.00 0.00 176.54 180.75 1rk1 h ASN 70 N 0.46 1.02 0.44 0.19 2.35 -0.88 -1.57 115.58 117.59 1rk1 h ASN 70 Ca 0.10 -0.18 -0.01 0.00 -0.55 0.00 0.00 56.30 55.65 1rk1 h ASN 70 Cb 0.53 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 1rk1 h ASN 70 CO 0.03 0.94 -0.33 -0.08 -1.65 0.00 0.00 177.43 176.34 1rk1 h GLU 71 N 1.06 -0.73 -0.95 0.81 4.81 -0.70 0.33 114.58 119.21 1rk1 h GLU 71 Ca 0.23 0.05 0.05 0.00 -0.13 0.00 0.00 59.36 59.56 1rk1 h GLU 71 Cb 0.28 0.17 -0.06 0.00 0.63 0.00 0.00 28.75 29.77 1rk1 h GLU 71 CO -0.01 -0.49 0.62 1.96 -0.73 0.00 0.00 179.01 180.37 1rk1 h GLN 72 N -0.76 1.12 -0.00 1.92 1.08 -1.27 -1.47 115.11 115.74 1rk1 h GLN 72 Ca -0.04 -0.07 -0.09 0.00 -1.45 0.00 0.00 58.65 57.00 1rk1 h GLN 72 Cb 0.64 -0.25 -0.01 0.00 -0.05 0.00 0.00 27.48 27.81 1rk1 h GLN 72 CO 0.01 0.74 -0.43 0.66 -0.95 0.00 0.00 178.83 178.85 1rk1 h SER 73 N 1.15 0.01 1.30 1.46 4.64 -0.95 -2.33 113.55 118.82 1rk1 h SER 73 Ca 0.39 -0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.67 1rk1 h SER 73 Cb 0.10 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.18 1rk1 h SER 73 CO -0.14 0.44 -0.22 -0.26 -0.87 0.00 0.00 176.83 175.78 1rk1 h PHE 74 N 0.00 0.00 -0.38 4.77 -1.00 0.09 -2.35 116.94 118.08 1rk1 h PHE 74 Ca -0.00 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.70 1rk1 h PHE 74 Cb 0.77 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.31 1rk1 h PHE 74 CO 0.00 0.22 -0.09 -0.09 -1.61 0.00 0.00 178.31 176.75 1rk1 h ARG 75 N 0.00 0.64 -0.24 1.51 2.43 -0.83 -0.87 114.38 117.02 1rk1 h ARG 75 Ca -0.00 -0.19 -0.11 0.00 -0.81 0.00 0.00 59.98 58.87 1rk1 h ARG 75 Cb 0.93 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.41 1rk1 h ARG 75 CO 0.03 0.72 -0.27 0.28 -1.51 0.00 0.00 179.97 179.22 1rk1 h VAL 76 N 0.59 1.32 -0.55 0.20 2.07 -1.38 -2.96 116.25 115.55 1rk1 h VAL 76 Ca 0.11 -1.44 0.04 0.00 0.82 0.00 0.00 66.70 66.23 1rk1 h VAL 76 Cb 0.50 1.69 -0.04 0.00 -1.52 0.00 0.00 31.29 31.92 1rk1 h VAL 76 CO 0.03 0.45 0.30 0.44 0.02 0.00 0.00 177.57 178.81 1rk1 h ASP 77 N 0.32 0.45 -0.75 0.57 3.32 -0.95 0.13 116.42 119.51 1rk1 h ASP 77 Ca 0.04 0.02 0.04 0.00 0.02 0.00 0.00 57.03 57.15 1rk1 h ASP 77 Cb 0.83 -0.07 -0.05 0.00 0.22 0.00 0.00 39.33 40.26 1rk1 h ASP 77 CO 0.07 0.31 0.46 -0.07 -1.72 0.00 0.00 179.24 178.29 1rk1 h LEU 78 N 0.58 0.75 -0.40 1.55 3.38 -1.15 -0.23 115.31 119.78 1rk1 h LEU 78 Ca 0.23 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 58.13 1rk1 h LEU 78 Cb 0.11 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1rk1 h LEU 78 CO -0.14 0.50 -0.09 0.03 0.09 0.00 0.00 178.44 178.83 1rk1 h ARG 79 N 0.88 0.77 -0.54 1.13 3.08 -1.21 -2.88 114.38 115.61 1rk1 h ARG 79 Ca 0.31 -0.29 0.04 0.00 0.07 0.00 0.00 59.98 60.12 1rk1 h ARG 79 Cb 0.08 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.04 1rk1 h ARG 79 CO -0.14 0.90 0.29 1.15 -1.07 0.00 0.00 179.97 181.10 1rk1 h THR 80 N 0.59 0.97 0.00 2.04 2.02 -0.07 -1.92 112.91 116.54 1rk1 h THR 80 Ca 0.10 -0.19 -0.04 0.00 0.77 0.00 0.00 66.41 67.05 1rk1 h THR 80 Cb 0.61 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 1rk1 h THR 80 CO 0.04 0.10 -0.17 -0.07 0.37 0.00 0.00 175.52 175.79 1rk1 h LEU 81 N 0.56 0.00 -1.10 2.58 3.38 -0.98 -1.29 115.31 118.45 1rk1 h LEU 81 Ca 0.24 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.16 1rk1 h LEU 81 Cb 0.13 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1rk1 h LEU 81 CO -0.15 0.17 0.13 -0.07 0.09 0.00 0.00 178.44 178.61 1rk1 h LEU 82 N 0.00 0.71 -0.14 1.67 3.38 -1.13 -0.92 115.31 118.88 1rk1 h LEU 82 Ca -0.00 -0.12 -0.12 0.00 0.09 0.00 0.00 57.88 57.73 1rk1 h LEU 82 Cb 0.39 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1rk1 h LEU 82 CO 0.02 0.70 -0.39 1.23 0.09 0.00 0.00 178.44 180.08 1rk1 h GLY 83 N 0.93 0.57 0.91 0.83 0.00 -1.14 0.14 103.07 105.31 1rk1 h GLY 83 Ca 0.17 -0.72 0.02 0.00 0.00 0.00 0.00 47.33 46.80 1rk1 h GLY 83 CO -0.00 0.65 0.39 -0.97 0.00 0.00 0.00 176.54 176.60 1rk1 h TYR 84 N 0.14 0.73 -0.08 5.60 0.05 -1.04 -2.82 116.97 119.55 1rk1 h TYR 84 Ca -0.01 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.79 1rk1 h TYR 84 Cb 1.01 -0.24 0.00 0.00 1.01 0.00 0.00 36.73 38.51 1rk1 h TYR 84 CO 0.10 0.43 0.00 0.66 -1.05 0.00 0.00 178.16 178.30 1rk1 n TYR 85 N -4.70 0.08 -3.66 4.88 4.01 -0.38 -4.89 117.16 112.50 1rk1 n TYR 85 Ca 0.05 -0.04 -0.27 0.00 -0.16 0.00 0.00 57.90 57.48 1rk1 n TYR 85 Cb 0.06 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.13 1rk1 n TYR 85 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1rk1 n ASN 86 N 0.76 -4.27 -4.71 7.72 5.15 0.30 -4.99 115.26 115.22 1rk1 n ASN 86 Ca 0.17 -0.94 -0.26 0.00 -0.60 0.00 0.00 54.58 52.95 1rk1 n ASN 86 Cb 0.47 -3.69 -0.07 0.00 -0.53 0.00 0.00 39.78 35.96 1rk1 n ASN 86 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1rk1 s GLN 87 N -5.84 2.57 0.78 1.20 -0.21 -0.14 -5.03 119.66 112.99 1rk1 s GLN 87 Ca 0.35 -1.07 -0.14 0.00 0.02 0.00 0.00 55.36 54.51 1rk1 s GLN 87 Cb -0.11 -2.43 0.07 0.00 1.00 0.00 0.00 33.01 31.54 1rk1 s GLN 87 CO 0.84 0.45 1.21 0.45 -2.12 0.00 0.00 175.29 176.12 1rk1 n SER 88 N -0.35 1.17 -0.36 5.90 2.88 -1.26 -4.83 113.62 116.77 1rk1 n SER 88 Ca -0.09 0.63 0.14 0.00 -1.33 0.00 0.00 58.87 58.22 1rk1 n SER 88 Cb 0.56 -1.51 0.59 0.00 -0.75 0.00 0.00 64.21 63.09 1rk1 n SER 88 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1rk1 n LYS 89 N -3.03 1.43 0.00 -1.46 4.81 -1.26 -3.98 118.16 114.67 1rk1 n LYS 89 Ca 0.14 -0.72 0.11 0.00 -0.87 0.00 0.00 58.31 56.97 1rk1 n LYS 89 Cb 0.50 -1.49 0.05 0.00 0.02 0.00 0.00 35.03 34.11 1rk1 n LYS 89 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1rk1 n GLY 90 N 1.16 0.48 3.94 3.14 0.00 -1.26 -4.80 105.19 107.85 1rk1 n GLY 90 Ca 0.19 -0.64 -0.26 0.00 0.00 0.00 0.00 46.02 45.31 1rk1 n GLY 90 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rk1 s GLY 91 N -2.14 1.61 0.04 -0.02 0.00 -1.26 -4.65 107.32 100.91 1rk1 s GLY 91 Ca 0.22 -0.92 -0.23 0.00 0.00 0.00 0.00 44.72 43.79 1rk1 s GLY 91 CO 0.41 -0.89 0.70 -0.45 0.00 0.00 0.00 173.10 172.87 1rk1 s SER 92 N -3.45 7.14 0.10 1.64 0.15 -1.26 -4.63 113.70 113.38 1rk1 s SER 92 Ca 0.38 1.36 0.02 0.00 0.70 0.00 0.00 55.95 58.41 1rk1 s SER 92 Cb -0.10 -2.43 -0.04 0.00 -1.71 0.00 0.00 66.02 61.74 1rk1 s SER 92 CO 0.30 0.08 -0.08 -1.00 1.20 0.00 0.00 173.24 173.75 1rk1 s HIS 93 N -0.28 0.97 -0.04 3.44 3.76 -1.26 -4.96 115.29 116.93 1rk1 s HIS 93 Ca 0.35 -0.84 0.03 0.00 -0.15 0.00 0.00 55.06 54.45 1rk1 s HIS 93 Cb -0.20 -0.54 0.00 0.00 1.11 0.00 0.00 32.58 32.95 1rk1 s HIS 93 CO 0.21 -0.09 -0.13 0.99 -0.85 0.00 0.00 174.74 174.87 1rk1 s THR 94 N -3.37 1.14 -0.10 1.30 2.01 -1.26 -1.76 115.64 113.60 1rk1 s THR 94 Ca 0.11 -0.55 0.02 0.00 0.31 0.00 0.00 61.69 61.58 1rk1 s THR 94 Cb 0.03 -0.99 -0.01 0.00 0.01 0.00 0.00 72.50 71.54 1rk1 s THR 94 CO -0.03 0.34 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.44 1rk1 s ILE 95 N 0.13 2.78 0.03 1.82 1.01 -0.32 0.15 121.20 126.80 1rk1 s ILE 95 Ca -0.04 -0.78 0.06 0.00 0.00 0.00 0.00 60.65 59.89 1rk1 s ILE 95 Cb -0.10 -2.13 -0.02 0.00 0.01 0.00 0.00 42.46 40.22 1rk1 s ILE 95 CO 0.01 0.55 -0.17 -1.10 0.00 0.00 0.00 174.94 174.23 1rk1 s GLN 96 N 0.12 1.18 -0.01 2.79 -0.21 -0.60 -1.36 119.66 121.57 1rk1 s GLN 96 Ca -0.08 -0.77 -0.00 0.00 0.02 0.00 0.00 55.36 54.53 1rk1 s GLN 96 Cb -0.15 -1.21 0.01 0.00 1.00 0.00 0.00 33.01 32.66 1rk1 s GLN 96 CO 0.05 0.31 0.02 0.08 -2.12 0.00 0.00 175.29 173.63 1rk1 s VAL 97 N -0.71 -0.02 -0.16 1.09 1.01 -0.01 -1.33 120.40 120.27 1rk1 s VAL 97 Ca 0.05 0.08 0.02 0.00 0.00 0.00 0.00 61.98 62.12 1rk1 s VAL 97 Cb -0.08 -0.05 0.02 0.00 0.00 0.00 0.00 36.38 36.27 1rk1 s VAL 97 CO 0.01 0.03 -0.20 -0.63 0.00 0.00 0.00 175.10 174.31 1rk1 s ILE 98 N 0.40 2.03 -0.00 2.22 1.01 -0.49 -0.67 121.20 125.70 1rk1 s ILE 98 Ca -0.03 -0.94 0.03 0.00 0.00 0.00 0.00 60.65 59.70 1rk1 s ILE 98 Cb -0.05 -1.82 -0.01 0.00 0.01 0.00 0.00 42.46 40.59 1rk1 s ILE 98 CO -0.01 0.54 -0.08 -0.55 0.00 0.00 0.00 174.94 174.83 1rk1 s SER 99 N 1.11 0.96 0.00 3.58 0.15 -0.80 -1.18 113.70 117.52 1rk1 s SER 99 Ca 0.00 -0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.47 1rk1 s SER 99 Cb -0.14 -0.09 0.00 0.00 -1.71 0.00 0.00 66.02 64.08 1rk1 s SER 99 CO -0.09 0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.04 1rk1 n GLY 100 N 2.74 -2.06 3.15 9.45 0.00 -0.75 -0.34 105.19 117.38 1rk1 n GLY 100 Ca -0.14 -1.21 -0.09 0.00 0.00 0.00 0.00 46.02 44.58 1rk1 n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rk1 s GLU 102 N -4.00 0.74 0.21 0.00 2.12 0.61 -1.17 118.70 117.20 1rk1 s GLU 102 Ca 0.20 -0.20 0.10 0.00 0.36 0.00 0.00 54.97 55.43 1rk1 s GLU 102 Cb 0.07 -0.72 -0.05 0.00 0.26 0.00 0.00 34.13 33.70 1rk1 s GLU 102 CO -0.01 0.05 -0.18 0.14 -0.54 0.00 0.00 175.26 174.72 1rk1 s VAL 103 N 0.34 2.04 0.50 3.70 -7.23 0.09 0.70 120.40 120.55 1rk1 s VAL 103 Ca -0.04 -2.14 -0.06 0.00 -1.81 0.00 0.00 61.98 57.93 1rk1 s VAL 103 Cb -0.09 -2.06 0.11 0.00 0.56 0.00 0.00 36.38 34.91 1rk1 s VAL 103 CO 0.00 -0.39 0.68 0.61 -0.31 0.00 0.00 175.10 175.70 1rk1 n GLY 104 N -0.13 -0.55 0.29 2.32 0.00 -0.12 -0.76 105.19 106.24 1rk1 n GLY 104 Ca -0.10 -1.81 0.12 0.00 0.00 0.00 0.00 46.02 44.24 1rk1 n GLY 104 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1rk1 h SER 105 N -0.74 0.00 -0.14 1.61 0.02 -1.90 -1.04 113.55 111.36 1rk1 h SER 105 Ca -0.22 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 1rk1 h SER 105 Cb 0.68 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.22 1rk1 h SER 105 CO 0.18 0.00 0.00 -0.90 -1.14 0.00 0.00 176.83 174.97 1rk1 n ASP 106 N -4.18 1.47 0.00 3.07 5.75 -1.26 -4.92 116.55 116.48 1rk1 n ASP 106 Ca -0.02 -1.67 0.00 0.00 -0.01 0.00 0.00 54.79 53.09 1rk1 n ASP 106 Cb 0.13 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.12 1rk1 n ASP 106 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1rk1 n GLY 107 N 1.09 0.74 3.88 6.12 0.00 -0.39 -5.04 105.19 111.58 1rk1 n GLY 107 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 1rk1 n GLY 107 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rk1 s ARG 108 N -0.14 3.78 0.09 1.61 0.52 -1.26 -4.77 118.95 118.78 1rk1 s ARG 108 Ca 0.00 0.21 -0.33 0.00 -0.52 0.00 0.00 55.73 55.09 1rk1 s ARG 108 Cb 0.00 -2.74 -0.12 0.00 0.52 0.00 0.00 34.95 32.61 1rk1 s ARG 108 CO 0.00 0.38 1.76 -0.11 0.02 0.00 0.00 175.30 177.35 1rk1 n LEU 109 N 0.07 3.58 -0.12 2.53 7.94 -1.26 -0.94 117.00 128.80 1rk1 n LEU 109 Ca -0.01 1.02 -0.15 0.00 -1.11 0.00 0.00 56.01 55.75 1rk1 n LEU 109 Cb 0.52 -1.46 -0.13 0.00 0.53 0.00 0.00 43.42 42.88 1rk1 n LEU 109 CO 0.45 -0.04 -1.28 0.18 -1.11 0.00 0.00 177.39 175.60 1rk1 n LEU 110 N 5.05 2.05 -3.62 -1.96 4.77 0.22 -4.84 117.00 118.66 1rk1 n LEU 110 Ca 0.19 -0.09 -0.03 0.00 -0.03 0.00 0.00 56.01 56.04 1rk1 n LEU 110 Cb 0.32 -0.46 -0.03 0.00 -2.33 0.00 0.00 43.42 40.92 1rk1 n LEU 110 CO 0.67 0.80 1.09 0.00 -1.33 0.00 0.00 177.39 178.61 1rk1 s ARG 111 N -2.50 0.17 0.22 3.23 1.70 -1.04 -4.99 118.95 115.74 1rk1 s ARG 111 Ca -0.27 -0.02 0.07 0.00 -0.47 0.00 0.00 55.73 55.05 1rk1 s ARG 111 Cb 0.08 0.08 -0.05 0.00 -0.57 0.00 0.00 34.95 34.49 1rk1 s ARG 111 CO 0.66 -0.07 -0.13 0.20 -1.08 0.00 0.00 175.30 174.89 1rk1 s GLY 112 N -1.61 1.49 0.11 3.88 0.00 -1.26 -0.29 107.32 109.64 1rk1 s GLY 112 Ca 0.09 -1.70 -0.25 0.00 0.00 0.00 0.00 44.72 42.86 1rk1 s GLY 112 CO -0.05 -1.77 0.61 -2.52 0.00 0.00 0.00 173.10 169.38 1rk1 s TYR 113 N -2.99 -0.56 -0.30 1.90 -0.85 -0.28 -4.87 117.35 109.40 1rk1 s TYR 113 Ca 0.24 0.51 -0.04 0.00 -0.52 0.00 0.00 57.07 57.26 1rk1 s TYR 113 Cb 0.00 0.52 0.19 0.00 0.38 0.00 0.00 41.96 43.04 1rk1 s TYR 113 CO 0.08 -0.79 0.69 -1.14 -1.52 0.00 0.00 175.55 172.87 1rk1 s GLN 114 N -3.14 0.50 -0.02 -3.49 0.74 -1.25 -1.81 119.66 111.18 1rk1 s GLN 114 Ca -0.02 0.88 0.03 0.00 0.05 0.00 0.00 55.36 56.30 1rk1 s GLN 114 Cb -0.01 0.49 0.00 0.00 1.10 0.00 0.00 33.01 34.60 1rk1 s GLN 114 CO -0.08 -0.53 -0.10 -0.65 -0.55 0.00 0.00 175.29 173.38 1rk1 s GLN 115 N 2.88 1.02 0.16 1.67 -0.21 -0.32 -1.35 119.66 123.50 1rk1 s GLN 115 Ca 0.16 -0.34 0.08 0.00 0.02 0.00 0.00 55.36 55.28 1rk1 s GLN 115 Cb -0.14 -0.95 -0.04 0.00 1.00 0.00 0.00 33.01 32.88 1rk1 s GLN 115 CO -0.19 0.14 -0.07 0.71 -2.12 0.00 0.00 175.29 173.76 1rk1 s TYR 116 N 0.12 2.73 0.03 0.91 1.51 0.68 -1.40 117.35 121.93 1rk1 s TYR 116 Ca -0.02 -0.18 -0.00 0.00 -1.01 0.00 0.00 57.07 55.86 1rk1 s TYR 116 Cb -0.08 -1.36 -0.02 0.00 -0.11 0.00 0.00 41.96 40.39 1rk1 s TYR 116 CO 0.00 0.49 -0.03 0.00 -1.11 0.00 0.00 175.55 174.90 1rk1 s ALA 117 N -1.57 0.23 -0.10 3.71 0.00 -0.44 -0.81 121.76 122.78 1rk1 s ALA 117 Ca 0.25 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.48 1rk1 s ALA 117 Cb -0.10 0.17 0.02 0.00 0.00 0.00 0.00 23.12 23.22 1rk1 s ALA 117 CO 0.16 -0.20 -0.08 -0.47 0.00 0.00 0.00 175.76 175.17 1rk1 s TYR 118 N -1.96 1.39 -1.49 0.00 5.04 -0.28 -1.56 117.35 118.49 1rk1 s TYR 118 Ca -0.11 -0.64 -0.10 0.00 -2.44 0.00 0.00 57.07 53.78 1rk1 s TYR 118 Cb -0.06 -1.14 0.07 0.00 0.35 0.00 0.00 41.96 41.17 1rk1 s TYR 118 CO -0.03 -0.44 0.87 -0.25 -1.34 0.00 0.00 175.55 174.36 1rk1 n ASP 119 N 4.69 -3.57 0.00 4.32 8.00 0.12 -2.22 116.55 127.89 1rk1 n ASP 119 Ca -0.15 -0.83 0.00 0.00 0.71 0.00 0.00 54.79 54.53 1rk1 n ASP 119 Cb 0.50 -3.76 0.00 0.00 -0.02 0.00 0.00 41.12 37.85 1rk1 n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rk1 n GLY 120 N -1.66 0.49 3.23 0.44 0.00 -1.26 -5.00 105.19 101.42 1rk1 n GLY 120 Ca -0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.72 1rk1 n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rk1 n ASP 122 N 1.94 0.63 0.00 0.00 8.00 -1.26 -1.12 116.55 124.73 1rk1 n ASP 122 Ca -0.17 1.15 0.00 0.00 0.71 0.00 0.00 54.79 56.48 1rk1 n ASP 122 Cb 0.53 -1.15 0.00 0.00 -0.02 0.00 0.00 41.12 40.49 1rk1 n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rk1 n TYR 123 N 0.85 0.00 -3.94 1.24 9.36 0.01 -4.66 117.16 120.02 1rk1 n TYR 123 Ca 0.15 0.00 -0.10 0.00 3.32 0.00 0.00 57.90 61.27 1rk1 n TYR 123 Cb 0.25 0.00 -0.10 0.00 -0.63 0.00 0.00 39.34 38.86 1rk1 n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 1rk1 s ILE 124 N -0.61 0.12 -0.05 2.97 2.07 -1.18 -0.58 121.20 123.94 1rk1 s ILE 124 Ca 0.00 -0.95 -0.14 0.00 -1.41 0.00 0.00 60.65 58.14 1rk1 s ILE 124 Cb 0.00 -0.55 0.03 0.00 0.13 0.00 0.00 42.46 42.06 1rk1 s ILE 124 CO 0.00 -0.53 0.33 0.00 -1.91 0.00 0.00 174.94 172.83 1rk1 s ALA 125 N -1.89 -0.82 0.08 1.50 0.00 -0.69 -0.23 121.76 119.71 1rk1 s ALA 125 Ca -0.11 0.54 -0.30 0.00 0.00 0.00 0.00 51.96 52.08 1rk1 s ALA 125 Cb -0.06 -0.12 -0.05 0.00 0.00 0.00 0.00 23.12 22.89 1rk1 s ALA 125 CO -0.02 -0.23 0.99 -1.17 0.00 0.00 0.00 175.76 175.33 1rk1 s LEU 126 N -0.86 4.45 0.78 0.00 2.96 -0.46 -0.66 118.68 124.90 1rk1 s LEU 126 Ca -0.09 1.79 -0.11 0.00 -0.22 0.00 0.00 54.13 55.50 1rk1 s LEU 126 Cb -0.04 -3.58 0.06 0.00 0.50 0.00 0.00 46.19 43.12 1rk1 s LEU 126 CO 0.03 -0.16 1.09 0.20 -1.32 0.00 0.00 176.35 176.18 1rk1 s ASN 127 N 0.37 4.56 0.57 3.68 0.01 0.68 -4.66 114.94 120.16 1rk1 s ASN 127 Ca 0.49 1.48 0.28 0.00 -0.71 0.00 0.00 52.86 54.40 1rk1 s ASN 127 Cb -0.23 -2.24 1.50 0.00 0.41 0.00 0.00 41.25 40.69 1rk1 s ASN 127 CO 0.30 -1.95 1.99 -0.33 -1.51 0.00 0.00 177.10 175.60 1rk1 h GLU 128 N -1.07 0.00 0.00 -0.60 3.07 -1.89 0.20 114.58 114.29 1rk1 h GLU 128 Ca -0.46 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.40 1rk1 h GLU 128 Cb 1.25 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.16 1rk1 h GLU 128 CO 0.57 0.00 0.00 -0.40 -1.40 0.00 0.00 179.01 177.78 1rk1 n ASP 129 N -3.97 0.41 -2.22 1.42 5.68 -1.26 -4.86 116.55 111.75 1rk1 n ASP 129 Ca 0.07 0.59 -0.21 0.00 -0.50 0.00 0.00 54.79 54.74 1rk1 n ASP 129 Cb 0.56 -0.68 -0.03 0.00 -1.14 0.00 0.00 41.12 39.83 1rk1 n ASP 129 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1rk1 n LEU 130 N -1.94 -1.84 0.00 -2.12 4.77 0.06 -4.80 117.00 111.13 1rk1 n LEU 130 Ca 0.03 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 1rk1 n LEU 130 Cb 0.24 -2.92 0.00 0.00 -2.33 0.00 0.00 43.42 38.41 1rk1 n LEU 130 CO 0.19 -0.42 -0.34 0.29 -1.33 0.00 0.00 177.39 175.78 1rk1 n LYS 131 N -2.87 2.66 -4.32 3.23 5.02 -1.26 -4.67 118.16 115.95 1rk1 n LYS 131 Ca -0.24 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 55.88 1rk1 n LYS 131 Cb 0.69 -0.84 -0.10 0.00 -0.02 0.00 0.00 35.03 34.76 1rk1 n LYS 131 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1rk1 s THR 132 N -1.66 1.19 0.23 -0.18 -4.23 -1.26 -4.86 115.64 104.88 1rk1 s THR 132 Ca 0.00 -2.06 0.09 0.00 -1.18 0.00 0.00 61.69 58.53 1rk1 s THR 132 Cb 0.00 -2.21 -0.04 0.00 1.34 0.00 0.00 72.50 71.59 1rk1 s THR 132 CO 0.00 -0.45 0.00 0.26 -0.54 0.00 0.00 174.62 173.90 1rk1 s TRP 133 N -3.32 2.76 -0.16 3.99 0.52 -1.26 -0.23 118.94 121.24 1rk1 s TRP 133 Ca 0.25 -0.19 0.01 0.00 0.02 0.00 0.00 56.10 56.19 1rk1 s TRP 133 Cb 0.04 -1.26 0.02 0.00 -1.15 0.00 0.00 33.47 31.12 1rk1 s TRP 133 CO 0.07 0.58 -0.16 0.99 0.02 0.00 0.00 176.95 178.45 1rk1 s THR 134 N -2.10 1.72 -0.15 2.01 2.01 0.17 -4.88 115.64 114.42 1rk1 s THR 134 Ca 0.30 -0.75 -0.07 0.00 0.31 0.00 0.00 61.69 61.48 1rk1 s THR 134 Cb -0.07 -1.61 -0.04 0.00 0.01 0.00 0.00 72.50 70.79 1rk1 s THR 134 CO 0.19 0.46 0.10 0.00 -0.69 0.00 0.00 174.62 174.68 1rk1 s ALA 135 N 1.42 3.63 -0.40 7.40 0.00 -1.26 -1.70 121.76 130.85 1rk1 s ALA 135 Ca 0.05 -0.70 0.23 0.00 0.00 0.00 0.00 51.96 51.53 1rk1 s ALA 135 Cb -0.13 -1.94 0.27 0.00 0.00 0.00 0.00 23.12 21.32 1rk1 s ALA 135 CO -0.11 0.39 1.51 0.00 0.00 0.00 0.00 175.76 177.54 1rk1 h ALA 136 N 5.87 0.91 -2.98 0.00 0.00 -1.11 -3.47 119.26 118.48 1rk1 h ALA 136 Ca -0.46 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.28 1rk1 h ALA 136 Cb 1.19 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 1rk1 h ALA 136 CO 0.65 0.03 0.06 0.16 0.00 0.00 0.00 179.25 180.15 1rk1 s ASP 137 N -6.08 0.51 0.47 0.00 1.47 -1.26 -5.04 116.67 106.73 1rk1 s ASP 137 Ca 0.06 -1.36 0.19 0.00 1.18 0.00 0.00 52.55 52.63 1rk1 s ASP 137 Cb 0.06 0.78 1.15 0.00 -0.34 0.00 0.00 42.92 44.56 1rk1 s ASP 137 CO 0.69 -1.54 2.00 0.24 0.68 0.00 0.00 175.17 177.25 1rk1 h MET 138 N 2.04 0.00 0.06 2.11 2.86 -1.98 -1.27 114.93 118.74 1rk1 h MET 138 Ca -0.31 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.33 1rk1 h MET 138 Cb 1.24 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.91 1rk1 h MET 138 CO 0.40 0.18 -0.03 0.00 1.06 0.00 0.00 176.91 178.53 1rk1 h ALA 139 N 1.82 -0.08 0.00 6.32 0.00 -1.97 -2.75 119.26 122.60 1rk1 h ALA 139 Ca -0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1rk1 h ALA 139 Cb 0.37 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1rk1 h ALA 139 CO 0.02 -0.37 -0.08 0.00 0.00 0.00 0.00 179.25 178.83 1rk1 h ALA 140 N 0.49 1.59 0.00 0.00 0.00 -1.77 -0.92 119.26 118.66 1rk1 h ALA 140 Ca -0.01 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1rk1 h ALA 140 Cb 0.38 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1rk1 h ALA 140 CO 0.01 0.10 -0.25 1.25 0.00 0.00 0.00 179.25 180.36 1rk1 h LEU 141 N 0.00 0.00 -0.31 0.00 5.85 -0.95 -0.27 115.31 119.63 1rk1 h LEU 141 Ca -0.00 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.61 1rk1 h LEU 141 Cb 0.17 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 1rk1 h LEU 141 CO 0.01 0.25 -0.22 0.40 -0.34 0.00 0.00 178.44 178.54 1rk1 h ILE 142 N 0.00 1.30 -0.29 4.05 2.04 -0.98 -1.92 117.51 121.71 1rk1 h ILE 142 Ca -0.00 -1.37 -0.02 0.00 1.00 0.00 0.00 64.86 64.48 1rk1 h ILE 142 Cb 0.46 1.51 -0.01 0.00 -0.74 0.00 0.00 36.82 38.03 1rk1 h ILE 142 CO 0.03 0.44 0.12 0.74 0.00 0.00 0.00 178.15 179.48 1rk1 h THR 143 N 0.45 1.17 -0.40 -0.27 2.02 -1.34 -1.67 112.91 112.87 1rk1 h THR 143 Ca 0.06 -0.52 0.08 0.00 0.77 0.00 0.00 66.41 66.80 1rk1 h THR 143 Cb 0.78 0.98 -0.08 0.00 -1.74 0.00 0.00 68.15 68.08 1rk1 h THR 143 CO 0.06 0.18 -0.12 0.50 0.37 0.00 0.00 175.52 176.51 1rk1 h LYS 144 N 0.32 -0.02 -0.66 6.66 3.64 -0.96 0.14 116.57 125.69 1rk1 h LYS 144 Ca 0.10 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1rk1 h LYS 144 Cb 0.17 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.96 1rk1 h LYS 144 CO -0.01 -0.02 0.39 0.45 -2.27 0.00 0.00 179.45 178.00 1rk1 h HIS 145 N -0.03 0.87 -0.16 1.91 3.86 -1.12 -0.43 115.15 120.06 1rk1 h HIS 145 Ca 0.19 -0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.41 1rk1 h HIS 145 Cb 0.32 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 28.49 1rk1 h HIS 145 CO -0.37 0.60 0.09 0.87 0.86 0.00 0.00 177.93 179.97 1rk1 h LYS 146 N 0.90 0.18 -0.36 2.45 1.57 -0.30 -2.51 116.57 118.50 1rk1 h LYS 146 Ca 0.24 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.95 1rk1 h LYS 146 Cb -0.02 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 1rk1 h LYS 146 CO -0.04 0.12 -0.02 -1.49 -0.57 0.00 0.00 179.45 177.45 1rk1 h TRP 147 N 0.18 0.60 -0.46 -1.35 6.55 -0.41 -1.94 115.95 119.13 1rk1 h TRP 147 Ca 0.06 -0.07 -0.04 0.00 0.95 0.00 0.00 58.89 59.79 1rk1 h TRP 147 Cb 0.00 -0.17 -0.02 0.00 -0.86 0.00 0.00 29.16 28.11 1rk1 h TRP 147 CO -0.08 0.60 0.12 0.93 -1.05 0.00 0.00 178.44 178.95 1rk1 h GLU 148 N 0.55 0.73 0.00 0.49 5.08 -0.93 -1.16 114.58 119.34 1rk1 h GLU 148 Ca 0.11 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1rk1 h GLU 148 Cb 0.38 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1rk1 h GLU 148 CO 0.01 0.72 0.00 1.96 -1.00 0.00 0.00 179.01 180.70 1rk1 h GLN 149 N 0.61 0.00 -0.01 2.33 1.08 -1.20 -2.77 115.11 115.16 1rk1 h GLN 149 Ca 0.14 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.34 1rk1 h GLN 149 Cb 0.31 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.74 1rk1 h GLN 149 CO 0.00 0.00 -0.58 0.00 -0.95 0.00 0.00 178.83 177.30 1rk1 n ALA 150 N -2.06 3.80 -1.95 3.87 0.00 -0.75 -4.95 120.51 118.47 1rk1 n ALA 150 Ca 0.01 -0.51 -0.09 0.00 0.00 0.00 0.00 53.44 52.85 1rk1 n ALA 150 Cb 0.31 -0.94 -0.01 0.00 0.00 0.00 0.00 19.45 18.81 1rk1 n ALA 150 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rk1 n GLY 151 N 1.44 0.27 0.35 0.00 0.00 -0.58 -4.92 105.19 101.75 1rk1 n GLY 151 Ca 0.07 -0.52 0.02 0.00 0.00 0.00 0.00 46.02 45.59 1rk1 n GLY 151 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1rk1 h GLU 152 N 0.00 0.95 -1.00 1.61 4.57 -1.53 -2.43 114.58 116.75 1rk1 h GLU 152 Ca -0.22 -0.06 0.02 0.00 -1.18 0.00 0.00 59.36 57.93 1rk1 h GLU 152 Cb 1.03 -0.22 -0.05 0.00 -0.16 0.00 0.00 28.75 29.35 1rk1 h GLU 152 CO 0.27 0.63 0.66 0.00 -1.18 0.00 0.00 179.01 179.39 1rk1 h ALA 153 N 1.54 1.31 -0.54 2.92 0.00 -1.89 -0.27 119.26 122.33 1rk1 h ALA 153 Ca 0.29 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 1rk1 h ALA 153 Cb -0.05 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.33 1rk1 h ALA 153 CO -0.07 0.62 -0.05 0.93 0.00 0.00 0.00 179.25 180.68 1rk1 h GLU 154 N 1.32 0.99 -0.31 0.00 3.07 -1.75 -0.29 114.58 117.61 1rk1 h GLU 154 Ca 0.38 -0.34 -0.03 0.00 -0.50 0.00 0.00 59.36 58.87 1rk1 h GLU 154 Cb -0.09 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 27.73 1rk1 h GLU 154 CO -0.10 1.02 0.06 -0.09 -1.40 0.00 0.00 179.01 178.50 1rk1 h ARG 155 N 0.86 0.50 -0.56 2.33 2.43 -1.18 -1.41 114.38 117.34 1rk1 h ARG 155 Ca 0.15 -0.13 -0.07 0.00 -0.81 0.00 0.00 59.98 59.12 1rk1 h ARG 155 Cb 0.61 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.07 1rk1 h ARG 155 CO 0.04 0.59 0.08 1.25 -1.51 0.00 0.00 179.97 180.41 1rk1 h LEU 156 N 0.33 0.87 -0.92 3.80 5.85 -0.97 -1.83 115.31 122.44 1rk1 h LEU 156 Ca 0.09 -0.19 -0.09 0.00 0.84 0.00 0.00 57.88 58.54 1rk1 h LEU 156 Cb 0.32 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 1rk1 h LEU 156 CO 0.00 0.88 -0.12 -0.09 -0.34 0.00 0.00 178.44 178.78 1rk1 h ARG 157 N 0.86 0.66 -0.30 1.25 2.43 -0.82 0.36 114.38 118.82 1rk1 h ARG 157 Ca 0.18 -0.21 -0.11 0.00 -0.81 0.00 0.00 59.98 59.03 1rk1 h ARG 157 Cb 0.40 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 1rk1 h ARG 157 CO 0.01 0.76 -0.26 0.00 -1.51 0.00 0.00 179.97 178.97 1rk1 h ALA 158 N 1.27 0.98 -0.05 2.80 0.00 -0.85 -1.40 119.26 122.00 1rk1 h ALA 158 Ca 0.11 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 1rk1 h ALA 158 Cb 0.56 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1rk1 h ALA 158 CO 0.03 0.60 -0.04 -0.92 0.00 0.00 0.00 179.25 178.93 1rk1 h TYR 159 N 0.52 0.14 -0.55 0.00 3.20 -0.76 -1.49 116.97 118.03 1rk1 h TYR 159 Ca 0.07 -0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.88 1rk1 h TYR 159 Cb 0.73 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.94 1rk1 h TYR 159 CO 0.03 0.53 0.24 -0.07 -1.64 0.00 0.00 178.16 177.25 1rk1 h LEU 160 N -0.30 0.74 0.00 2.82 3.38 -0.87 0.26 115.31 121.34 1rk1 h LEU 160 Ca 0.01 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 57.73 1rk1 h LEU 160 Cb 0.50 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1rk1 h LEU 160 CO 0.01 0.69 -0.48 -0.33 0.09 0.00 0.00 178.44 178.42 1rk1 h GLU 161 N 0.74 0.00 0.00 1.13 5.08 -1.34 -3.26 114.58 116.93 1rk1 h GLU 161 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1rk1 h GLU 161 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1rk1 h GLU 161 CO -0.02 0.43 0.00 0.41 -1.00 0.00 0.00 179.01 178.83 1rk1 n GLY 162 N 1.22 0.10 0.38 -3.84 0.00 -0.56 -4.56 105.19 97.91 1rk1 n GLY 162 Ca 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.02 1rk1 n GLY 162 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1rk1 h THR 163 N 0.00 0.04 -0.01 2.61 2.02 -1.57 0.70 112.91 116.69 1rk1 h THR 163 Ca 0.00 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.19 1rk1 h THR 163 Cb 0.00 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.43 1rk1 h THR 163 CO 0.00 0.00 -0.05 0.00 0.37 0.00 0.00 175.52 175.84 1rk1 h VAL 165 N -0.09 1.20 -0.57 0.00 2.07 -1.40 -1.86 116.25 115.59 1rk1 h VAL 165 Ca 0.03 -0.57 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 1rk1 h VAL 165 Cb 0.12 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 1rk1 h VAL 165 CO -0.06 0.22 0.30 -0.33 0.02 0.00 0.00 177.57 177.73 1rk1 h GLU 166 N 0.68 0.80 -0.25 1.57 5.08 -0.65 -1.38 114.58 120.43 1rk1 h GLU 166 Ca 0.17 -0.10 -0.16 0.00 -1.00 0.00 0.00 59.36 58.27 1rk1 h GLU 166 Cb 0.13 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1rk1 h GLU 166 CO -0.02 0.62 -0.51 -1.49 -1.00 0.00 0.00 179.01 176.62 1rk1 h TRP 167 N 0.77 0.85 -0.48 4.33 4.06 -1.18 -2.36 115.95 121.94 1rk1 h TRP 167 Ca 0.20 -0.29 0.02 0.00 2.06 0.00 0.00 58.89 60.88 1rk1 h TRP 167 Cb 0.06 -0.17 -0.03 0.00 -1.00 0.00 0.00 29.16 28.03 1rk1 h TRP 167 CO -0.01 1.05 0.30 1.25 -3.56 0.00 0.00 178.44 177.47 1rk1 h LEU 168 N 0.54 0.49 -0.80 -4.49 5.85 -1.08 0.22 115.31 116.05 1rk1 h LEU 168 Ca 0.02 -0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.77 1rk1 h LEU 168 Cb 1.07 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.94 1rk1 h LEU 168 CO 0.10 0.35 0.51 0.03 -0.34 0.00 0.00 178.44 179.10 1rk1 h ARG 169 N 0.60 0.98 -0.56 1.25 3.08 -1.16 -1.07 114.38 117.50 1rk1 h ARG 169 Ca 0.19 -0.06 -0.11 0.00 0.07 0.00 0.00 59.98 60.07 1rk1 h ARG 169 Cb -0.01 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 29.79 1rk1 h ARG 169 CO -0.07 0.65 -0.09 -0.09 -1.07 0.00 0.00 179.97 179.30 1rk1 h ARG 170 N 1.01 1.05 -0.57 0.04 2.43 -0.82 -1.82 114.38 115.70 1rk1 h ARG 170 Ca 0.31 -0.38 -0.06 0.00 -0.81 0.00 0.00 59.98 59.04 1rk1 h ARG 170 Cb -0.02 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.44 1rk1 h ARG 170 CO -0.10 1.08 0.13 1.88 -1.51 0.00 0.00 179.97 181.44 1rk1 h TYR 171 N 0.94 0.97 -0.25 2.20 0.05 -0.03 -0.48 116.97 120.37 1rk1 h TYR 171 Ca 0.15 -0.12 -0.06 0.00 0.05 0.00 0.00 58.73 58.75 1rk1 h TYR 171 Cb 0.66 -0.27 -0.01 0.00 1.01 0.00 0.00 36.73 38.11 1rk1 h TYR 171 CO 0.05 0.84 -0.09 -0.07 -1.05 0.00 0.00 178.16 177.83 1rk1 h LEU 172 N 0.82 0.39 0.11 3.88 3.38 -1.12 0.51 115.31 123.28 1rk1 h LEU 172 Ca 0.18 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1rk1 h LEU 172 Cb 0.37 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1rk1 h LEU 172 CO 0.00 0.52 -0.05 0.50 0.09 0.00 0.00 178.44 179.51 1rk1 h LYS 173 N 0.39 -0.14 -0.63 1.13 3.64 -0.95 -2.15 116.57 117.86 1rk1 h LYS 173 Ca 0.08 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.41 1rk1 h LYS 173 Cb 0.40 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.23 1rk1 h LYS 173 CO 0.02 0.34 0.17 -0.91 -2.27 0.00 0.00 179.45 176.80 1rk1 h ASN 174 N -0.71 0.94 -0.82 4.20 2.35 -0.95 -3.07 115.58 117.51 1rk1 h ASN 174 Ca -0.01 -0.22 -0.37 0.00 -0.55 0.00 0.00 56.30 55.14 1rk1 h ASN 174 Cb 0.54 -0.25 -0.22 0.00 0.05 0.00 0.00 38.32 38.44 1rk1 h ASN 174 CO 0.02 0.92 0.43 0.61 -1.65 0.00 0.00 177.43 177.76 1rk1 n GLY 175 N -0.68 4.28 0.36 2.83 0.00 0.16 -4.69 105.19 107.46 1rk1 n GLY 175 Ca 0.04 -1.08 0.12 0.00 0.00 0.00 0.00 46.02 45.10 1rk1 n GLY 175 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1rk1 h ASN 176 N 1.54 0.81 0.18 1.61 -1.07 -1.28 0.25 115.58 117.61 1rk1 h ASN 176 Ca 0.46 0.08 -0.02 0.00 0.07 0.00 0.00 56.30 56.89 1rk1 h ASN 176 Cb 2.53 -0.07 -0.00 0.00 -2.07 0.00 0.00 38.32 38.71 1rk1 h ASN 176 CO 0.88 0.33 -0.10 0.00 0.07 0.00 0.00 177.43 178.61 1rk1 h ALA 177 N 1.62 1.56 0.00 4.14 0.00 -1.87 -1.16 119.26 123.54 1rk1 h ALA 177 Ca 0.55 -0.09 -0.37 0.00 0.00 0.00 0.00 54.91 55.00 1rk1 h ALA 177 Cb 0.81 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.53 1rk1 h ALA 177 CO -0.34 0.13 -2.06 2.41 0.00 0.00 0.00 179.25 179.38 1rk1 n THR 178 N -4.02 1.53 0.13 0.00 -1.04 -0.41 -4.28 114.28 106.19 1rk1 n THR 178 Ca -0.02 -0.25 -0.01 0.00 -2.04 0.00 0.00 64.05 61.73 1rk1 n THR 178 Cb 0.19 -1.96 0.24 0.00 -1.82 0.00 0.00 70.33 66.98 1rk1 n THR 178 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1rk1 h LEU 179 N -1.00 0.13 -2.21 -4.42 3.38 -0.60 -3.18 115.31 107.41 1rk1 h LEU 179 Ca -0.56 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.35 1rk1 h LEU 179 Cb 1.48 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.20 1rk1 h LEU 179 CO -0.34 0.58 0.00 0.18 0.09 0.00 0.00 178.44 178.95 1rk1 n LEU 180 N -3.98 3.28 -4.87 1.67 4.77 -0.44 -4.96 117.00 112.47 1rk1 n LEU 180 Ca -0.02 -1.47 -0.30 0.00 -0.03 0.00 0.00 56.01 54.20 1rk1 n LEU 180 Cb 0.50 -0.28 0.08 0.00 -2.33 0.00 0.00 43.42 41.39 1rk1 n LEU 180 CO 0.41 0.73 0.75 0.00 -1.33 0.00 0.00 177.39 177.96 1rk1 s ARG 181 N -1.44 2.21 -0.06 3.23 1.70 -1.20 -5.05 118.95 118.33 1rk1 s ARG 181 Ca 0.39 0.34 -0.02 0.00 -0.47 0.00 0.00 55.73 55.98 1rk1 s ARG 181 Cb 0.22 -1.96 0.03 0.00 -0.57 0.00 0.00 34.95 32.67 1rk1 s ARG 181 CO 0.31 -1.47 0.02 0.99 -1.08 0.00 0.00 175.30 174.07 1rk1 s THR 182 N -3.40 0.24 -0.25 4.99 2.01 -1.26 -4.52 115.64 113.45 1rk1 s THR 182 Ca 0.61 0.20 -0.08 0.00 0.31 0.00 0.00 61.69 62.73 1rk1 s THR 182 Cb -0.12 -0.43 -0.03 0.00 0.01 0.00 0.00 72.50 71.93 1rk1 s THR 182 CO 0.51 0.24 0.08 -1.81 -0.69 0.00 0.00 174.62 172.95 1rk1 s ASP 183 N 2.03 5.19 0.24 3.53 1.01 0.00 -4.93 116.67 123.74 1rk1 s ASP 183 Ca 0.05 -0.22 -0.30 0.00 0.71 0.00 0.00 52.55 52.79 1rk1 s ASP 183 Cb -0.12 -1.93 -0.09 0.00 1.01 0.00 0.00 42.92 41.78 1rk1 s ASP 183 CO -0.05 -0.05 1.22 -0.44 0.21 0.00 0.00 175.17 176.07 1rk1 s SER 184 N 1.62 7.02 0.51 0.27 0.01 -1.26 -1.69 113.70 120.17 1rk1 s SER 184 Ca 0.06 2.38 -0.22 0.00 1.31 0.00 0.00 55.95 59.49 1rk1 s SER 184 Cb -0.15 -2.62 -0.06 0.00 0.21 0.00 0.00 66.02 63.40 1rk1 s SER 184 CO 0.04 -0.39 1.23 -2.84 0.41 0.00 0.00 173.24 171.69 1rk1 s PRO 185 N -0.85 3.44 -0.16 12.44 0.02 -1.26 -4.46 135.00 144.17 1rk1 s PRO 185 Ca 0.51 1.92 0.00 0.00 0.02 0.00 0.00 61.00 63.45 1rk1 s PRO 185 Cb -0.35 -2.27 0.00 0.00 0.02 0.00 0.00 34.50 31.90 1rk1 s PRO 185 CO 0.42 -0.86 -0.16 0.15 -0.33 0.00 0.00 177.00 176.22 1rk1 s LYS 186 N -2.88 3.18 0.21 5.54 1.02 -0.03 -4.89 119.74 121.89 1rk1 s LYS 186 Ca 0.68 -0.76 0.11 0.00 0.02 0.00 0.00 55.97 56.02 1rk1 s LYS 186 Cb -0.32 -2.63 -0.04 0.00 -0.52 0.00 0.00 37.83 34.31 1rk1 s LYS 186 CO 0.38 -0.04 -0.19 0.00 -0.92 0.00 0.00 175.35 174.59 1rk1 s ALA 187 N 0.94 2.71 0.14 5.17 0.00 -1.26 -0.46 121.76 129.01 1rk1 s ALA 187 Ca -0.03 -1.65 -0.20 0.00 0.00 0.00 0.00 51.96 50.08 1rk1 s ALA 187 Cb -0.15 -0.44 0.06 0.00 0.00 0.00 0.00 23.12 22.59 1rk1 s ALA 187 CO -0.02 0.40 0.52 -3.38 0.00 0.00 0.00 175.76 173.28 1rk1 s HIS 188 N -1.88 -0.41 -0.06 0.00 -3.43 -0.94 -4.99 115.29 103.58 1rk1 s HIS 188 Ca 0.24 0.17 0.06 0.00 -0.80 0.00 0.00 55.06 54.73 1rk1 s HIS 188 Cb -0.07 0.43 -0.01 0.00 -1.43 0.00 0.00 32.58 31.50 1rk1 s HIS 188 CO 0.13 -0.78 -0.25 0.08 -2.00 0.00 0.00 174.74 171.91 1rk1 s VAL 189 N -3.70 2.05 0.18 -5.38 1.01 -1.26 -0.42 120.40 112.88 1rk1 s VAL 189 Ca 0.01 -1.07 0.08 0.00 0.00 0.00 0.00 61.98 61.00 1rk1 s VAL 189 Cb 0.00 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 1rk1 s VAL 189 CO -0.12 0.57 -0.01 0.42 0.00 0.00 0.00 175.10 175.95 1rk1 s THR 190 N -0.18 3.64 -0.06 3.92 -4.23 0.54 -4.93 115.64 114.33 1rk1 s THR 190 Ca -0.03 -1.47 0.05 0.00 -1.18 0.00 0.00 61.69 59.06 1rk1 s THR 190 Cb -0.14 -2.83 -0.00 0.00 1.34 0.00 0.00 72.50 70.87 1rk1 s THR 190 CO 0.03 -0.12 -0.21 -2.28 -0.54 0.00 0.00 174.62 171.50 1rk1 s HIS 191 N -1.74 2.15 -0.03 3.99 5.04 -1.26 -1.28 115.29 122.16 1rk1 s HIS 191 Ca 0.27 -0.69 0.00 0.00 -1.54 0.00 0.00 55.06 53.10 1rk1 s HIS 191 Cb -0.09 -1.44 0.03 0.00 0.04 0.00 0.00 32.58 31.12 1rk1 s HIS 191 CO 0.18 -0.24 0.01 -1.01 -2.34 0.00 0.00 174.74 171.34 1rk1 s HIS 192 N 0.05 0.27 0.48 3.88 3.76 -0.59 -5.00 115.29 118.15 1rk1 s HIS 192 Ca -0.07 0.02 -0.20 0.00 -0.15 0.00 0.00 55.06 54.66 1rk1 s HIS 192 Cb -0.14 -0.39 -0.09 0.00 1.11 0.00 0.00 32.58 33.07 1rk1 s HIS 192 CO 0.04 -0.13 1.03 -1.54 -0.85 0.00 0.00 174.74 173.29 1rk1 s SER 193 N 1.08 6.38 0.09 1.40 1.04 -1.26 -0.13 113.70 122.30 1rk1 s SER 193 Ca -0.09 1.90 0.03 0.00 0.48 0.00 0.00 55.95 58.28 1rk1 s SER 193 Cb -0.13 -2.56 -0.04 0.00 0.10 0.00 0.00 66.02 63.39 1rk1 s SER 193 CO -0.02 -0.75 -0.09 -0.13 0.98 0.00 0.00 173.24 173.22 1rk1 s ARG 194 N -3.25 0.83 0.65 4.02 0.52 0.03 -4.81 118.95 116.94 1rk1 s ARG 194 Ca 0.67 -1.17 -0.15 0.00 -0.52 0.00 0.00 55.73 54.55 1rk1 s ARG 194 Cb -0.16 -0.46 -0.00 0.00 0.52 0.00 0.00 34.95 34.85 1rk1 s ARG 194 CO 0.20 0.06 1.12 -1.25 0.02 0.00 0.00 175.30 175.44 1rk1 s PRO 195 N -2.92 2.82 0.00 3.54 0.04 -1.26 -3.41 135.00 133.81 1rk1 s PRO 195 Ca 0.06 1.42 0.00 0.00 0.04 0.00 0.00 61.00 62.52 1rk1 s PRO 195 Cb -0.02 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.57 1rk1 s PRO 195 CO -0.01 -1.24 0.00 0.39 0.04 0.00 0.00 177.00 176.18 1rk1 n GLU 196 N -2.34 0.00 -4.04 4.56 1.02 -1.26 -4.00 120.64 114.58 1rk1 n GLU 196 Ca 0.11 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.93 1rk1 n GLU 196 Cb 0.52 -2.90 -0.00 0.00 -0.02 0.00 0.00 31.44 29.04 1rk1 n GLU 196 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1rk1 n ASP 197 N 1.70 -3.55 -4.47 1.62 8.00 -1.25 -4.93 116.55 113.67 1rk1 n ASP 197 Ca 0.00 -0.90 -0.26 0.00 0.71 0.00 0.00 54.79 54.33 1rk1 n ASP 197 Cb 0.49 -3.33 -0.11 0.00 -0.02 0.00 0.00 41.12 38.15 1rk1 n ASP 197 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1rk1 s LYS 198 N -6.72 1.69 0.01 -1.24 3.01 -1.22 -0.64 119.74 114.63 1rk1 s LYS 198 Ca 0.60 -1.50 0.03 0.00 -1.01 0.00 0.00 55.97 54.09 1rk1 s LYS 198 Cb -0.31 -1.92 -0.01 0.00 -1.01 0.00 0.00 37.83 34.58 1rk1 s LYS 198 CO 0.88 0.40 -0.09 0.08 0.51 0.00 0.00 175.35 177.13 1rk1 s VAL 199 N -1.82 0.67 -0.24 3.17 1.01 0.93 -0.79 120.40 123.32 1rk1 s VAL 199 Ca 0.23 -0.55 -0.13 0.00 0.00 0.00 0.00 61.98 61.53 1rk1 s VAL 199 Cb -0.08 -0.60 -0.04 0.00 0.00 0.00 0.00 36.38 35.67 1rk1 s VAL 199 CO 0.12 0.06 0.29 -0.89 0.00 0.00 0.00 175.10 174.68 1rk1 s THR 200 N -0.47 5.25 -0.18 3.92 2.01 0.81 -0.54 115.64 126.45 1rk1 s THR 200 Ca 0.01 0.44 -0.05 0.00 0.31 0.00 0.00 61.69 62.40 1rk1 s THR 200 Cb -0.05 -3.63 -0.03 0.00 0.01 0.00 0.00 72.50 68.81 1rk1 s THR 200 CO 0.00 0.25 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.41 1rk1 s LEU 201 N 1.55 3.32 -0.13 4.42 1.43 -0.35 -1.53 118.68 127.38 1rk1 s LEU 201 Ca 0.13 -0.14 0.02 0.00 -1.03 0.00 0.00 54.13 53.11 1rk1 s LEU 201 Cb -0.15 -1.83 0.01 0.00 0.03 0.00 0.00 46.19 44.26 1rk1 s LEU 201 CO 0.08 0.12 -0.18 -0.60 0.23 0.00 0.00 176.35 176.00 1rk1 s ARG 202 N 0.68 2.60 -0.24 1.70 3.52 -0.40 -1.45 118.95 125.35 1rk1 s ARG 202 Ca -0.00 -0.69 -0.10 0.00 -0.13 0.00 0.00 55.73 54.80 1rk1 s ARG 202 Cb -0.14 -2.17 -0.05 0.00 -1.56 0.00 0.00 34.95 31.03 1rk1 s ARG 202 CO 0.02 -0.07 0.16 0.00 -0.81 0.00 0.00 175.30 174.60 1rk1 s TRP 204 N 1.09 3.04 -0.14 0.00 0.52 0.45 -1.54 118.94 122.35 1rk1 s TRP 204 Ca 0.07 0.08 0.00 0.00 0.02 0.00 0.00 56.10 56.28 1rk1 s TRP 204 Cb -0.14 -1.71 0.02 0.00 -1.15 0.00 0.00 33.47 30.50 1rk1 s TRP 204 CO 0.05 0.42 -0.12 0.00 0.02 0.00 0.00 176.95 177.31 1rk1 s ALA 205 N -0.94 1.68 0.24 0.98 0.00 -0.20 -2.22 121.76 121.30 1rk1 s ALA 205 Ca 0.15 -0.78 0.08 0.00 0.00 0.00 0.00 51.96 51.41 1rk1 s ALA 205 Cb -0.11 -1.00 -0.05 0.00 0.00 0.00 0.00 23.12 21.96 1rk1 s ALA 205 CO 0.05 -0.38 -0.12 -0.51 0.00 0.00 0.00 175.76 174.79 1rk1 s LEU 206 N 1.54 2.55 -1.43 0.00 1.43 0.39 -1.58 118.68 121.57 1rk1 s LEU 206 Ca 0.05 -1.08 -0.04 0.00 -1.03 0.00 0.00 54.13 52.02 1rk1 s LEU 206 Cb -0.13 -0.74 0.02 0.00 0.03 0.00 0.00 46.19 45.37 1rk1 s LEU 206 CO -0.10 -0.19 0.36 0.61 0.23 0.00 0.00 176.35 177.26 1rk1 n GLY 207 N -0.50 -0.51 3.84 -3.19 0.00 -1.15 -0.85 105.19 102.84 1rk1 n GLY 207 Ca -0.07 0.07 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1rk1 n GLY 207 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1rk1 s PHE 208 N -2.98 3.02 -0.28 1.61 -0.12 -1.11 -4.40 117.98 113.72 1rk1 s PHE 208 Ca 0.22 -0.19 -0.22 0.00 -0.05 0.00 0.00 56.93 56.68 1rk1 s PHE 208 Cb -0.10 -1.58 0.10 0.00 -0.63 0.00 0.00 43.02 40.80 1rk1 s PHE 208 CO 0.27 0.36 0.84 -0.47 -0.05 0.00 0.00 175.22 176.17 1rk1 s TYR 209 N -2.21 -0.73 1.31 3.49 5.04 -0.68 -1.26 117.35 122.32 1rk1 s TYR 209 Ca 0.37 1.64 -0.22 0.00 -2.44 0.00 0.00 57.07 56.41 1rk1 s TYR 209 Cb -0.07 0.39 0.33 0.00 0.35 0.00 0.00 41.96 42.96 1rk1 s TYR 209 CO 0.26 -0.35 1.05 -1.25 -1.34 0.00 0.00 175.55 173.91 1rk1 s PRO 210 N 0.74 -2.10 0.38 4.97 0.04 -1.26 -0.82 135.00 136.95 1rk1 s PRO 210 Ca -0.02 -0.11 0.14 0.00 0.04 0.00 0.00 61.00 61.05 1rk1 s PRO 210 Cb -0.05 -1.50 0.75 0.00 0.04 0.00 0.00 34.50 33.74 1rk1 s PRO 210 CO -0.08 -4.28 1.83 0.00 0.04 0.00 0.00 177.00 174.51 1rk1 h ALA 211 N -2.99 1.35 -2.69 8.56 0.00 -1.96 -3.45 119.26 118.09 1rk1 h ALA 211 Ca -0.42 -0.33 -0.53 0.00 0.00 0.00 0.00 54.91 53.63 1rk1 h ALA 211 Cb 1.30 -0.06 0.05 0.00 0.00 0.00 0.00 17.79 19.09 1rk1 h ALA 211 CO 0.28 0.46 0.84 0.34 0.00 0.00 0.00 179.25 181.16 1rk1 s ASP 212 N -6.87 6.58 0.00 0.00 2.15 -1.26 -4.98 116.67 112.30 1rk1 s ASP 212 Ca -0.03 2.69 -0.28 0.00 0.43 0.00 0.00 52.55 55.36 1rk1 s ASP 212 Cb 0.14 -2.61 0.09 0.00 -0.30 0.00 0.00 42.92 40.24 1rk1 s ASP 212 CO 0.72 -0.79 0.80 -0.51 -0.17 0.00 0.00 175.17 175.21 1rk1 s ILE 213 N 0.55 0.00 -0.08 4.11 2.07 -1.26 -4.68 121.20 121.90 1rk1 s ILE 213 Ca 0.65 0.00 0.03 0.00 -1.41 0.00 0.00 60.65 59.92 1rk1 s ILE 213 Cb -0.44 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.16 1rk1 s ILE 213 CO 0.38 0.00 -0.17 -0.89 -1.91 0.00 0.00 174.94 172.35 1rk1 s THR 214 N -2.63 1.53 -0.10 4.00 2.01 -0.70 -5.00 115.64 114.75 1rk1 s THR 214 Ca 0.00 -0.71 0.02 0.00 0.31 0.00 0.00 61.69 61.31 1rk1 s THR 214 Cb -0.01 -1.36 0.01 0.00 0.01 0.00 0.00 72.50 71.16 1rk1 s THR 214 CO -0.05 0.44 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.40 1rk1 s LEU 215 N 0.51 1.76 0.05 4.42 1.43 -1.26 -1.26 118.68 124.33 1rk1 s LEU 215 Ca -0.16 -0.43 0.00 0.00 -1.03 0.00 0.00 54.13 52.51 1rk1 s LEU 215 Cb -0.17 -1.10 -0.03 0.00 0.03 0.00 0.00 46.19 44.93 1rk1 s LEU 215 CO 0.06 0.04 -0.04 0.42 0.23 0.00 0.00 176.35 177.06 1rk1 s THR 216 N 0.87 0.28 -0.08 5.49 -4.23 -0.63 -4.98 115.64 112.35 1rk1 s THR 216 Ca -0.09 -1.45 0.02 0.00 -1.18 0.00 0.00 61.69 58.99 1rk1 s THR 216 Cb -0.15 -1.02 -0.02 0.00 1.34 0.00 0.00 72.50 72.64 1rk1 s THR 216 CO 0.00 -0.75 -0.14 0.26 -0.54 0.00 0.00 174.62 173.45 1rk1 s TRP 217 N -2.79 2.74 0.16 3.99 0.52 -1.26 -0.53 118.94 121.77 1rk1 s TRP 217 Ca -0.02 -0.34 0.10 0.00 0.02 0.00 0.00 56.10 55.86 1rk1 s TRP 217 Cb -0.00 -1.70 -0.04 0.00 -1.15 0.00 0.00 33.47 30.57 1rk1 s TRP 217 CO -0.05 0.04 -0.21 -0.65 0.02 0.00 0.00 176.95 176.10 1rk1 s GLN 218 N -0.34 1.34 -0.21 4.98 -0.21 0.26 -1.12 119.66 124.37 1rk1 s GLN 218 Ca 0.03 -1.41 -0.04 0.00 0.02 0.00 0.00 55.36 53.96 1rk1 s GLN 218 Cb -0.13 -1.54 0.09 0.00 1.00 0.00 0.00 33.01 32.43 1rk1 s GLN 218 CO 0.02 0.33 0.21 -1.17 -2.12 0.00 0.00 175.29 172.57 1rk1 s LEU 219 N -2.54 -0.06 -1.16 2.90 2.96 -0.17 -2.01 118.68 118.60 1rk1 s LEU 219 Ca 0.16 -0.30 -0.05 0.00 -0.22 0.00 0.00 54.13 53.72 1rk1 s LEU 219 Cb -0.07 0.32 0.01 0.00 0.50 0.00 0.00 46.19 46.94 1rk1 s LEU 219 CO 0.07 -0.33 1.00 0.59 -1.32 0.00 0.00 176.35 176.36 1rk1 n ASN 220 N 5.31 -4.24 -0.49 3.68 3.02 -1.26 -1.94 115.26 119.35 1rk1 n ASN 220 Ca -0.05 -0.52 -0.06 0.00 -0.03 0.00 0.00 54.58 53.91 1rk1 n ASN 220 Cb 0.49 -4.62 -0.03 0.00 -0.61 0.00 0.00 39.78 35.01 1rk1 n ASN 220 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1rk1 n GLY 221 N -1.54 0.76 3.40 7.41 0.00 -1.26 -4.98 105.19 108.98 1rk1 n GLY 221 Ca -0.11 -0.19 -0.33 0.00 0.00 0.00 0.00 46.02 45.39 1rk1 n GLY 221 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1rk1 s GLU 222 N -2.16 3.36 0.09 1.61 2.02 -0.82 -5.10 118.70 117.72 1rk1 s GLU 222 Ca 0.00 -0.66 -0.30 0.00 0.02 0.00 0.00 54.97 54.03 1rk1 s GLU 222 Cb 0.00 -2.66 -0.06 0.00 0.10 0.00 0.00 34.13 31.52 1rk1 s GLU 222 CO 0.00 0.25 1.06 -1.21 0.02 0.00 0.00 175.26 175.38 1rk1 s GLU 223 N 0.26 4.58 -0.51 1.61 2.02 -1.26 -1.00 118.70 124.40 1rk1 s GLU 223 Ca -0.08 1.60 0.02 0.00 0.02 0.00 0.00 54.97 56.53 1rk1 s GLU 223 Cb -0.15 -3.36 0.59 0.00 0.10 0.00 0.00 34.13 31.31 1rk1 s GLU 223 CO 0.05 0.01 1.92 1.28 0.02 0.00 0.00 175.26 178.54 1rk1 n LEU 224 N 3.17 6.90 0.30 1.80 4.77 -0.27 -4.70 117.00 128.97 1rk1 n LEU 224 Ca 0.05 -3.86 0.08 0.00 -0.03 0.00 0.00 56.01 52.25 1rk1 n LEU 224 Cb 0.48 -0.87 0.38 0.00 -2.33 0.00 0.00 43.42 41.08 1rk1 n LEU 224 CO 0.53 1.22 1.07 0.40 -1.33 0.00 0.00 177.39 179.27 1rk1 h ILE 225 N 1.02 0.01 0.27 -0.08 5.03 -1.92 -2.57 117.51 119.27 1rk1 h ILE 225 Ca 0.60 0.00 -0.01 0.00 -0.12 0.00 0.00 64.86 65.33 1rk1 h ILE 225 Cb 2.13 0.30 0.00 0.00 -3.03 0.00 0.00 36.82 36.22 1rk1 h ILE 225 CO 1.22 0.00 -0.13 -0.61 -0.68 0.00 0.00 178.15 177.96 1rk1 h GLN 226 N 0.00 -0.35 -0.98 2.37 4.15 -1.98 -3.33 115.11 114.99 1rk1 h GLN 226 Ca 0.02 0.02 -0.15 0.00 0.77 0.00 0.00 58.65 59.32 1rk1 h GLN 226 Cb 1.45 0.08 -0.09 0.00 0.21 0.00 0.00 27.48 29.13 1rk1 h GLN 226 CO -0.00 -0.23 0.19 -0.25 -1.93 0.00 0.00 178.83 176.61 1rk1 n ASP 227 N -4.34 3.16 -4.73 -0.69 9.92 -0.98 -4.87 116.55 114.03 1rk1 n ASP 227 Ca -0.04 -2.50 -0.35 0.00 -0.53 0.00 0.00 54.79 51.36 1rk1 n ASP 227 Cb 0.14 -0.60 -0.08 0.00 -0.64 0.00 0.00 41.12 39.93 1rk1 n ASP 227 CO 0.00 0.00 0.00 -0.32 0.13 0.00 0.00 177.20 177.01 1rk1 s MET 228 N -1.14 3.71 0.09 -1.24 1.75 -1.17 -4.42 119.30 116.89 1rk1 s MET 228 Ca 0.18 -0.27 0.04 0.00 -1.25 0.00 0.00 55.69 54.40 1rk1 s MET 228 Cb 0.15 -3.18 -0.04 0.00 2.84 0.00 0.00 34.83 34.60 1rk1 s MET 228 CO 0.04 0.49 0.03 -2.00 -0.65 0.00 0.00 175.02 172.93 1rk1 s GLU 229 N -0.23 2.66 0.19 4.11 2.12 0.47 -4.93 118.70 123.08 1rk1 s GLU 229 Ca 0.09 -0.81 -0.23 0.00 0.36 0.00 0.00 54.97 54.38 1rk1 s GLU 229 Cb -0.12 -2.59 0.07 0.00 0.26 0.00 0.00 34.13 31.75 1rk1 s GLU 229 CO 0.01 0.54 0.99 -0.48 -0.54 0.00 0.00 175.26 175.78 1rk1 s LEU 230 N -2.40 -0.07 0.18 2.70 2.34 -1.26 0.72 118.68 120.88 1rk1 s LEU 230 Ca 0.27 -0.60 0.11 0.00 0.06 0.00 0.00 54.13 53.98 1rk1 s LEU 230 Cb -0.12 2.18 -0.04 0.00 -0.56 0.00 0.00 46.19 47.65 1rk1 s LEU 230 CO 0.20 -1.01 -0.24 0.68 -1.06 0.00 0.00 176.35 174.91 1rk1 s VAL 231 N -2.67 2.29 0.48 1.48 -7.23 -1.12 -5.03 120.40 108.60 1rk1 s VAL 231 Ca 0.17 -1.96 -0.23 0.00 -1.81 0.00 0.00 61.98 58.15 1rk1 s VAL 231 Cb -0.02 -2.07 -0.07 0.00 0.56 0.00 0.00 36.38 34.78 1rk1 s VAL 231 CO 0.04 -0.08 1.30 -1.61 -0.31 0.00 0.00 175.10 174.44 1rk1 s GLU 232 N -2.53 3.57 0.42 4.82 2.02 -1.26 -4.57 118.70 121.16 1rk1 s GLU 232 Ca 0.19 2.11 -0.24 0.00 0.02 0.00 0.00 54.97 57.04 1rk1 s GLU 232 Cb -0.08 -2.46 -0.10 0.00 0.10 0.00 0.00 34.13 31.58 1rk1 s GLU 232 CO 0.09 -0.81 1.05 2.41 0.02 0.00 0.00 175.26 178.02 1rk1 n THR 233 N -0.51 2.48 -3.90 3.63 -1.04 -1.26 -4.89 114.28 108.78 1rk1 n THR 233 Ca 0.07 -0.50 -0.11 0.00 -2.04 0.00 0.00 64.05 61.48 1rk1 n THR 233 Cb 0.45 -1.21 -0.11 0.00 -1.82 0.00 0.00 70.33 67.64 1rk1 n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1rk1 s ARG 234 N -2.05 0.34 0.37 -2.82 1.70 -0.57 -4.97 118.95 110.94 1rk1 s ARG 234 Ca 0.63 -0.36 -0.27 0.00 -0.47 0.00 0.00 55.73 55.26 1rk1 s ARG 234 Cb -0.55 0.14 -0.09 0.00 -0.57 0.00 0.00 34.95 33.87 1rk1 s ARG 234 CO 0.57 -0.07 1.26 -1.25 -1.08 0.00 0.00 175.30 174.73 1rk1 s PRO 235 N -1.10 4.17 -0.08 3.89 0.04 -1.26 -0.73 135.00 139.92 1rk1 s PRO 235 Ca -0.12 2.09 0.17 0.00 0.04 0.00 0.00 61.00 63.17 1rk1 s PRO 235 Cb -0.07 -2.88 0.58 0.00 0.04 0.00 0.00 34.50 32.17 1rk1 s PRO 235 CO 0.00 -0.30 1.49 0.00 0.04 0.00 0.00 177.00 178.23 1rk1 n ALA 236 N 0.42 2.75 -0.19 8.56 0.00 0.19 -4.85 120.51 127.38 1rk1 n ALA 236 Ca 0.02 -1.56 0.00 0.00 0.00 0.00 0.00 53.44 51.90 1rk1 n ALA 236 Cb 0.44 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 19.08 1rk1 n ALA 236 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rk1 n GLY 237 N 0.78 1.36 0.34 0.00 0.00 -1.26 -4.86 105.19 101.54 1rk1 n GLY 237 Ca 0.21 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.28 1rk1 n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1rk1 n ASP 238 N 0.00 1.05 0.00 1.61 5.75 -1.26 -4.97 116.55 118.73 1rk1 n ASP 238 Ca 0.00 -2.50 0.00 0.00 -0.01 0.00 0.00 54.79 52.28 1rk1 n ASP 238 Cb 0.00 -0.31 0.00 0.00 -1.03 0.00 0.00 41.12 39.78 1rk1 n ASP 238 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1rk1 n GLY 239 N -0.62 0.67 3.80 6.12 0.00 -1.26 -5.06 105.19 108.84 1rk1 n GLY 239 Ca 0.07 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.82 1rk1 n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1rk1 s THR 240 N -2.66 1.83 0.27 2.61 -4.23 -1.26 -4.91 115.64 107.28 1rk1 s THR 240 Ca 0.00 -1.69 0.04 0.00 -1.18 0.00 0.00 61.69 58.85 1rk1 s THR 240 Cb 0.00 -2.52 -0.06 0.00 1.34 0.00 0.00 72.50 71.26 1rk1 s THR 240 CO 0.00 0.00 0.02 -0.36 -0.54 0.00 0.00 174.62 173.74 1rk1 s PHE 241 N -2.72 1.72 0.20 3.99 0.40 -0.39 -0.64 117.98 120.54 1rk1 s PHE 241 Ca 0.31 -0.94 -0.06 0.00 -0.60 0.00 0.00 56.93 55.63 1rk1 s PHE 241 Cb 0.01 -1.04 -0.02 0.00 0.51 0.00 0.00 43.02 42.48 1rk1 s PHE 241 CO 0.18 -0.03 0.26 1.14 0.70 0.00 0.00 175.22 177.47 1rk1 s GLN 242 N -3.88 1.26 -0.02 0.44 -2.07 0.09 -2.74 119.66 112.75 1rk1 s GLN 242 Ca 0.32 -1.39 -0.29 0.00 -1.82 0.00 0.00 55.36 52.18 1rk1 s GLN 242 Cb 0.07 0.35 0.10 0.00 -1.09 0.00 0.00 33.01 32.44 1rk1 s GLN 242 CO 0.12 -0.46 0.87 0.21 -1.32 0.00 0.00 175.29 174.71 1rk1 s LYS 243 N -4.06 0.83 0.01 9.60 2.20 -0.62 -1.52 119.74 126.18 1rk1 s LYS 243 Ca 0.27 -0.22 -0.08 0.00 -0.36 0.00 0.00 55.97 55.58 1rk1 s LYS 243 Cb 0.04 0.38 0.00 0.00 -1.51 0.00 0.00 37.83 36.75 1rk1 s LYS 243 CO 0.07 -0.35 0.16 1.67 -0.36 0.00 0.00 175.35 176.55 1rk1 s TRP 244 N -2.79 0.03 -0.01 4.03 1.48 -1.26 -1.04 118.94 119.39 1rk1 s TRP 244 Ca 0.03 -0.15 0.00 0.00 -1.06 0.00 0.00 56.10 54.93 1rk1 s TRP 244 Cb -0.01 -0.04 0.01 0.00 -1.16 0.00 0.00 33.47 32.28 1rk1 s TRP 244 CO -0.07 -0.33 0.00 0.00 -4.06 0.00 0.00 176.95 172.49 1rk1 s ALA 245 N -1.70 0.16 0.22 2.67 0.00 -0.59 -2.78 121.76 119.74 1rk1 s ALA 245 Ca -0.12 0.09 0.07 0.00 0.00 0.00 0.00 51.96 52.00 1rk1 s ALA 245 Cb -0.06 -0.16 -0.05 0.00 0.00 0.00 0.00 23.12 22.86 1rk1 s ALA 245 CO 0.00 -0.03 -0.11 -1.54 0.00 0.00 0.00 175.76 174.08 1rk1 s SER 246 N 0.51 2.47 -0.03 0.00 1.04 0.22 -0.54 113.70 117.37 1rk1 s SER 246 Ca -0.05 -1.07 -0.10 0.00 0.48 0.00 0.00 55.95 55.22 1rk1 s SER 246 Cb -0.07 -0.12 0.01 0.00 0.10 0.00 0.00 66.02 65.95 1rk1 s SER 246 CO -0.01 -0.25 0.22 0.54 0.98 0.00 0.00 173.24 174.71 1rk1 s VAL 247 N -3.05 0.05 -0.30 5.02 0.11 -0.53 -0.39 120.40 121.30 1rk1 s VAL 247 Ca 0.24 -0.41 -0.13 0.00 -2.93 0.00 0.00 61.98 58.74 1rk1 s VAL 247 Cb 0.01 -0.45 -0.03 0.00 -1.53 0.00 0.00 36.38 34.38 1rk1 s VAL 247 CO 0.07 -0.23 0.28 -0.69 -3.33 0.00 0.00 175.10 171.21 1rk1 s VAL 248 N -0.89 5.24 0.26 2.04 1.01 -1.26 -1.21 120.40 125.59 1rk1 s VAL 248 Ca -0.10 0.17 0.11 0.00 0.00 0.00 0.00 61.98 62.16 1rk1 s VAL 248 Cb -0.05 -3.67 -0.05 0.00 0.00 0.00 0.00 36.38 32.61 1rk1 s VAL 248 CO 0.02 0.11 -0.20 0.68 0.00 0.00 0.00 175.10 175.71 1rk1 s VAL 249 N 1.88 2.37 0.23 2.92 -7.23 0.30 -4.92 120.40 115.95 1rk1 s VAL 249 Ca 0.10 -2.35 -0.30 0.00 -1.81 0.00 0.00 61.98 57.62 1rk1 s VAL 249 Cb -0.16 -2.25 -0.09 0.00 0.56 0.00 0.00 36.38 34.44 1rk1 s VAL 249 CO 0.11 -0.40 1.31 -2.16 -0.31 0.00 0.00 175.10 173.65 1rk1 s PRO 250 N -3.45 4.38 0.31 4.82 0.04 -1.26 -0.05 135.00 139.80 1rk1 s PRO 250 Ca 0.28 2.09 -0.29 0.00 0.04 0.00 0.00 61.00 63.12 1rk1 s PRO 250 Cb -0.05 -3.16 -0.12 0.00 0.04 0.00 0.00 34.50 31.21 1rk1 s PRO 250 CO 0.13 -0.23 1.39 -0.11 0.04 0.00 0.00 177.00 178.22 1rk1 n LEU 251 N 2.20 3.66 0.00 -3.56 7.94 0.19 -1.74 117.00 125.70 1rk1 n LEU 251 Ca 0.05 1.18 0.00 0.00 -1.11 0.00 0.00 56.01 56.13 1rk1 n LEU 251 Cb 0.42 -1.50 0.00 0.00 0.53 0.00 0.00 43.42 42.88 1rk1 n LEU 251 CO 0.58 -0.33 0.00 0.61 -1.11 0.00 0.00 177.39 177.14 1rk1 n GLY 252 N 1.33 2.62 0.95 -3.96 0.00 -1.26 -4.87 105.19 100.01 1rk1 n GLY 252 Ca 0.07 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.14 1rk1 n GLY 252 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1rk1 n LYS 253 N -2.00 2.56 0.19 1.61 4.76 -0.71 -4.73 118.16 119.84 1rk1 n LYS 253 Ca 0.00 -2.92 0.04 0.00 -2.87 0.00 0.00 58.31 52.56 1rk1 n LYS 253 Cb 0.00 -1.83 0.47 0.00 -1.84 0.00 0.00 35.03 31.83 1rk1 n LYS 253 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1rk1 h GLU 254 N 1.50 0.08 0.00 1.97 3.07 -1.90 -2.91 114.58 116.39 1rk1 h GLU 254 Ca 0.07 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.91 1rk1 h GLU 254 Cb 1.51 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.41 1rk1 h GLU 254 CO 0.28 0.24 0.00 0.00 -1.40 0.00 0.00 179.01 178.12 1rk1 n GLN 255 N -4.32 0.46 0.00 2.33 -0.00 -1.26 -2.27 117.38 112.32 1rk1 n GLN 255 Ca -0.02 0.04 0.12 0.00 -0.00 0.00 0.00 57.00 57.14 1rk1 n GLN 255 Cb 0.24 -1.50 0.18 0.00 -0.00 0.00 0.00 30.24 29.16 1rk1 n GLN 255 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1rk1 n TYR 256 N -1.10 0.00 -4.26 2.61 4.02 -1.10 -4.89 117.16 112.44 1rk1 n TYR 256 Ca 0.12 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.66 1rk1 n TYR 256 Cb 0.09 -0.08 -0.10 0.00 -0.02 0.00 0.00 39.34 39.23 1rk1 n TYR 256 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 1rk1 s TYR 257 N -2.60 3.18 -0.01 -0.72 1.51 -0.96 -4.28 117.35 113.47 1rk1 s TYR 257 Ca 0.19 0.07 0.05 0.00 -1.01 0.00 0.00 57.07 56.36 1rk1 s TYR 257 Cb 0.18 -1.91 -0.01 0.00 -0.11 0.00 0.00 41.96 40.11 1rk1 s TYR 257 CO 0.59 0.28 -0.15 0.95 -1.11 0.00 0.00 175.55 176.12 1rk1 s THR 258 N -0.28 1.20 -0.08 -0.71 -4.23 -0.85 -4.52 115.64 106.17 1rk1 s THR 258 Ca 0.07 -0.65 -0.12 0.00 -1.18 0.00 0.00 61.69 59.81 1rk1 s THR 258 Cb -0.12 -1.00 -0.05 0.00 1.34 0.00 0.00 72.50 72.67 1rk1 s THR 258 CO 0.02 0.34 0.30 0.00 -0.54 0.00 0.00 174.62 174.74 1rk1 s HIS 260 N -0.62 2.51 -0.16 0.00 3.76 0.31 -0.70 115.29 120.39 1rk1 s HIS 260 Ca 0.19 -0.93 0.01 0.00 -0.15 0.00 0.00 55.06 54.18 1rk1 s HIS 260 Cb -0.14 -1.66 0.02 0.00 1.11 0.00 0.00 32.58 31.90 1rk1 s HIS 260 CO 0.08 -0.35 -0.18 0.08 -0.85 0.00 0.00 174.74 173.52 1rk1 s VAL 261 N 0.16 1.85 -0.10 -0.90 1.01 -0.51 -1.61 120.40 120.30 1rk1 s VAL 261 Ca -0.13 -0.82 0.02 0.00 0.00 0.00 0.00 61.98 61.05 1rk1 s VAL 261 Cb -0.16 -1.68 -0.01 0.00 0.00 0.00 0.00 36.38 34.52 1rk1 s VAL 261 CO 0.07 0.51 -0.17 -0.31 0.00 0.00 0.00 175.10 175.20 1rk1 s TYR 262 N 1.28 2.69 0.07 5.22 1.51 -0.39 -1.09 117.35 126.63 1rk1 s TYR 262 Ca 0.03 -0.62 -0.26 0.00 -1.01 0.00 0.00 57.07 55.20 1rk1 s TYR 262 Cb -0.13 -1.74 0.07 0.00 -0.11 0.00 0.00 41.96 40.05 1rk1 s TYR 262 CO -0.10 -0.16 0.64 -1.58 -1.11 0.00 0.00 175.55 173.24 1rk1 s HIS 263 N 0.04 -0.58 0.59 2.71 2.46 -1.26 -1.72 115.29 117.52 1rk1 s HIS 263 Ca -0.06 0.65 0.32 0.00 0.47 0.00 0.00 55.06 56.43 1rk1 s HIS 263 Cb -0.15 0.50 1.89 0.00 -0.13 0.00 0.00 32.58 34.69 1rk1 s HIS 263 CO 0.05 -0.74 2.26 1.96 -2.47 0.00 0.00 174.74 175.80 1rk1 h GLN 264 N 2.41 0.00 -0.16 2.88 4.20 -1.93 -0.92 115.11 121.58 1rk1 h GLN 264 Ca -0.31 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.40 1rk1 h GLN 264 Cb 1.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.02 1rk1 h GLN 264 CO 0.38 0.01 0.00 0.41 -0.67 0.00 0.00 178.83 178.96 1rk1 n GLY 265 N -1.25 0.27 3.04 3.46 0.00 -1.26 -4.67 105.19 104.78 1rk1 n GLY 265 Ca -0.03 -0.41 -0.33 0.00 0.00 0.00 0.00 46.02 45.25 1rk1 n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rk1 s LEU 266 N -1.56 4.84 0.54 0.99 1.43 -0.35 -4.59 118.68 119.98 1rk1 s LEU 266 Ca 0.32 -2.58 0.30 0.00 -1.03 0.00 0.00 54.13 51.14 1rk1 s LEU 266 Cb 0.17 -1.73 1.46 0.00 0.03 0.00 0.00 46.19 46.13 1rk1 s LEU 266 CO 0.26 -0.36 1.92 -0.65 0.23 0.00 0.00 176.35 177.74 1rk1 h PRO 267 N 7.19 0.00 -4.45 1.29 0.11 -1.83 -3.35 132.00 130.96 1rk1 h PRO 267 Ca -0.06 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.51 1rk1 h PRO 267 Cb 0.97 0.00 -0.35 0.00 0.11 0.00 0.00 31.00 31.73 1rk1 h PRO 267 CO 0.66 0.00 -0.81 -2.00 -0.21 0.00 0.00 178.00 175.63 1rk1 s GLU 268 N -4.97 1.73 0.62 1.05 2.56 -1.26 -5.12 118.70 113.31 1rk1 s GLU 268 Ca -0.05 -0.38 -0.19 0.00 0.00 0.00 0.00 54.97 54.36 1rk1 s GLU 268 Cb 0.21 -1.58 -0.02 0.00 2.00 0.00 0.00 34.13 34.74 1rk1 s GLU 268 CO 0.75 -0.11 1.23 -0.35 -0.56 0.00 0.00 175.26 176.22 1rk1 n PRO 269 N 4.35 1.16 -2.89 4.30 -0.04 -1.26 -4.97 135.00 135.66 1rk1 n PRO 269 Ca -0.18 0.45 -0.33 0.00 -0.04 0.00 0.00 63.50 63.40 1rk1 n PRO 269 Cb 0.51 -2.46 -0.06 0.00 -0.04 0.00 0.00 33.50 31.45 1rk1 n PRO 269 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1rk1 s LEU 270 N -3.69 3.95 -0.09 1.53 1.43 -0.25 -4.87 118.68 116.68 1rk1 s LEU 270 Ca 0.80 1.53 -0.02 0.00 -1.03 0.00 0.00 54.13 55.41 1rk1 s LEU 270 Cb -0.39 -4.38 0.04 0.00 0.03 0.00 0.00 46.19 41.49 1rk1 s LEU 270 CO 0.43 -0.33 0.04 -0.89 0.23 0.00 0.00 176.35 175.83 1rk1 s THR 271 N -2.16 0.19 0.16 5.49 2.01 -1.25 -1.43 115.64 118.65 1rk1 s THR 271 Ca 0.59 0.07 0.06 0.00 0.31 0.00 0.00 61.69 62.72 1rk1 s THR 271 Cb -0.09 -0.50 -0.04 0.00 0.01 0.00 0.00 72.50 71.87 1rk1 s THR 271 CO 0.16 0.09 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.29 1rk1 s LEU 272 N 2.04 2.49 0.12 4.42 1.02 0.13 -4.93 118.68 123.97 1rk1 s LEU 272 Ca 0.04 -0.94 -0.04 0.00 0.02 0.00 0.00 54.13 53.21 1rk1 s LEU 272 Cb -0.13 -0.56 -0.03 0.00 0.02 0.00 0.00 46.19 45.49 1rk1 s LEU 272 CO -0.06 -0.19 0.11 0.00 0.02 0.00 0.00 176.35 176.23 1rk1 s ARG 273 N -3.31 0.92 0.00 1.70 1.70 -1.26 0.12 118.95 118.82 1rk1 s ARG 273 Ca 0.16 -1.28 0.27 0.00 -0.47 0.00 0.00 55.73 54.41 1rk1 s ARG 273 Cb -0.02 0.28 1.61 0.00 -0.57 0.00 0.00 34.95 36.26 1rk1 s ARG 273 CO 0.04 -0.28 1.96 1.87 -1.08 0.00 0.00 175.30 177.82