#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n2r s SER 2 N 0.00 6.73 0.05 1.61 0.01 -1.26 -3.03 113.70 117.81 1n2r s SER 2 Ca 0.00 1.12 -0.01 0.00 1.31 0.00 0.00 55.95 58.37 1n2r s SER 2 Cb 0.00 -2.31 -0.04 0.00 0.21 0.00 0.00 66.02 63.88 1n2r s SER 2 CO 0.00 -0.11 -0.03 -1.00 0.41 0.00 0.00 173.24 172.50 1n2r s HIS 3 N -1.85 0.53 0.03 2.43 4.02 -0.29 -4.99 115.29 115.17 1n2r s HIS 3 Ca 0.49 -1.04 -0.01 0.00 1.02 0.00 0.00 55.06 55.53 1n2r s HIS 3 Cb -0.11 -0.39 -0.03 0.00 -1.02 0.00 0.00 32.58 31.03 1n2r s HIS 3 CO 0.19 -0.36 -0.03 -1.54 1.02 0.00 0.00 174.74 174.03 1n2r s SER 4 N -2.86 0.35 -0.04 1.40 1.04 -1.26 -0.34 113.70 111.99 1n2r s SER 4 Ca 0.06 -0.73 0.03 0.00 0.48 0.00 0.00 55.95 55.79 1n2r s SER 4 Cb 0.07 0.15 0.00 0.00 0.10 0.00 0.00 66.02 66.34 1n2r s SER 4 CO -0.09 -0.44 -0.13 -0.32 0.98 0.00 0.00 173.24 173.24 1n2r s MET 5 N -2.60 1.41 -0.06 4.02 0.00 -0.33 -0.61 119.30 121.13 1n2r s MET 5 Ca -0.05 -0.44 -0.05 0.00 0.00 0.00 0.00 55.69 55.14 1n2r s MET 5 Cb -0.02 -1.24 0.01 0.00 0.00 0.00 0.00 34.83 33.59 1n2r s MET 5 CO -0.05 0.15 0.16 0.50 0.00 0.00 0.00 175.02 175.77 1n2r s ARG 6 N 0.22 0.19 -0.07 4.11 6.06 -0.23 -1.88 118.95 127.36 1n2r s ARG 6 Ca -0.05 0.20 0.03 0.00 -2.50 0.00 0.00 55.73 53.40 1n2r s ARG 6 Cb -0.11 0.09 -0.02 0.00 0.06 0.00 0.00 34.95 34.97 1n2r s ARG 6 CO 0.02 -0.02 -0.15 0.71 -2.50 0.00 0.00 175.30 173.35 1n2r s TYR 7 N 0.04 2.70 -0.14 5.12 2.02 -0.20 -0.62 117.35 126.27 1n2r s TYR 7 Ca -0.00 -0.35 0.02 0.00 -0.37 0.00 0.00 57.07 56.37 1n2r s TYR 7 Cb -0.01 -1.68 0.01 0.00 -0.40 0.00 0.00 41.96 39.88 1n2r s TYR 7 CO 0.00 0.04 -0.19 -0.06 -1.57 0.00 0.00 175.55 173.76 1n2r s PHE 8 N -0.38 2.47 -0.05 2.71 0.40 0.12 -1.90 117.98 121.35 1n2r s PHE 8 Ca 0.04 -1.27 0.01 0.00 -0.60 0.00 0.00 56.93 55.10 1n2r s PHE 8 Cb -0.12 -1.71 -0.03 0.00 0.51 0.00 0.00 43.02 41.66 1n2r s PHE 8 CO 0.02 -0.61 -0.05 0.71 0.70 0.00 0.00 175.22 176.00 1n2r s TYR 9 N 0.97 2.99 -0.07 0.36 2.02 0.51 -1.66 117.35 122.48 1n2r s TYR 9 Ca -0.04 0.06 -0.01 0.00 -0.37 0.00 0.00 57.07 56.70 1n2r s TYR 9 Cb -0.15 -1.71 0.03 0.00 -0.40 0.00 0.00 41.96 39.73 1n2r s TYR 9 CO -0.04 0.38 -0.01 0.99 -1.57 0.00 0.00 175.55 175.30 1n2r s THR 10 N -0.88 0.43 -0.18 -0.71 2.01 -0.20 -1.70 115.64 114.41 1n2r s THR 10 Ca 0.14 0.06 0.01 0.00 0.31 0.00 0.00 61.69 62.21 1n2r s THR 10 Cb -0.11 -0.56 0.03 0.00 0.01 0.00 0.00 72.50 71.87 1n2r s THR 10 CO 0.03 0.26 -0.17 0.00 -0.69 0.00 0.00 174.62 174.05 1n2r s ALA 11 N 1.74 2.17 -0.15 7.40 0.00 0.10 -0.96 121.76 132.06 1n2r s ALA 11 Ca 0.02 -1.16 0.00 0.00 0.00 0.00 0.00 51.96 50.82 1n2r s ALA 11 Cb -0.13 -1.18 0.02 0.00 0.00 0.00 0.00 23.12 21.84 1n2r s ALA 11 CO -0.04 -0.47 -0.14 1.41 0.00 0.00 0.00 175.76 176.52 1n2r s MET 12 N 1.35 2.28 0.58 0.00 1.75 -0.28 -0.83 119.30 124.16 1n2r s MET 12 Ca 0.03 -0.55 -0.15 0.00 -1.25 0.00 0.00 55.69 53.77 1n2r s MET 12 Cb -0.14 -2.09 -0.05 0.00 2.84 0.00 0.00 34.83 35.39 1n2r s MET 12 CO -0.11 -0.23 1.03 -1.54 -0.65 0.00 0.00 175.02 173.51 1n2r s SER 13 N 1.48 6.10 -0.47 1.11 1.04 0.09 -1.40 113.70 121.65 1n2r s SER 13 Ca 0.05 1.65 0.07 0.00 0.48 0.00 0.00 55.95 58.19 1n2r s SER 13 Cb -0.13 -2.51 0.24 0.00 0.10 0.00 0.00 66.02 63.72 1n2r s SER 13 CO -0.10 -0.95 0.78 -2.11 0.98 0.00 0.00 173.24 171.83 1n2r n ARG 14 N -2.10 0.73 -1.57 4.02 1.85 -1.26 -3.97 116.66 114.37 1n2r n ARG 14 Ca 0.07 -2.15 -0.54 0.00 -1.00 0.00 0.00 57.85 54.24 1n2r n ARG 14 Cb 0.53 -1.41 -0.06 0.00 -1.05 0.00 0.00 32.46 30.47 1n2r n ARG 14 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 1n2r n PRO 15 N 1.70 0.84 -0.06 2.89 -0.02 -1.26 -0.71 135.00 138.38 1n2r n PRO 15 Ca 0.13 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 1n2r n PRO 15 Cb 0.60 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 32.17 1n2r n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n2r n GLY 16 N 2.25 1.58 2.13 -1.23 0.00 -1.26 -4.87 105.19 103.79 1n2r n GLY 16 Ca 0.19 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.08 1n2r n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n2r n ARG 17 N -2.00 2.70 0.00 1.61 1.74 0.11 -5.11 116.66 115.72 1n2r n ARG 17 Ca 0.00 -3.80 0.00 0.00 -0.77 0.00 0.00 57.85 53.28 1n2r n ARG 17 Cb 0.00 -1.91 0.00 0.00 -1.02 0.00 0.00 32.46 29.53 1n2r n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1n2r n GLY 18 N -0.66 -2.16 3.82 -0.13 0.00 -1.25 -4.93 105.19 99.88 1n2r n GLY 18 Ca 0.29 -1.76 -0.31 0.00 0.00 0.00 0.00 46.02 44.24 1n2r n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1n2r s GLU 19 N -0.19 3.02 0.35 1.61 0.41 -1.26 -4.54 118.70 118.09 1n2r s GLU 19 Ca 0.00 0.95 -0.28 0.00 -0.41 0.00 0.00 54.97 55.23 1n2r s GLU 19 Cb 0.00 -2.00 -0.12 0.00 -1.78 0.00 0.00 34.13 30.23 1n2r s GLU 19 CO 0.00 -1.04 1.28 -2.30 -0.49 0.00 0.00 175.26 172.71 1n2r n PRO 20 N -3.05 2.09 -2.99 0.39 -0.02 -1.26 -4.77 135.00 125.40 1n2r n PRO 20 Ca 0.07 0.74 -0.39 0.00 -2.02 0.00 0.00 63.50 61.89 1n2r n PRO 20 Cb 0.54 -2.33 -0.06 0.00 -0.02 0.00 0.00 33.50 31.63 1n2r n PRO 20 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1n2r s ARG 21 N -1.91 4.55 -0.13 -0.52 3.52 -0.49 -4.84 118.95 119.12 1n2r s ARG 21 Ca 0.56 1.13 0.02 0.00 -0.13 0.00 0.00 55.73 57.31 1n2r s ARG 21 Cb -0.56 -3.28 0.01 0.00 -1.56 0.00 0.00 34.95 29.56 1n2r s ARG 21 CO 0.62 0.52 -0.19 0.12 -0.81 0.00 0.00 175.30 175.57 1n2r s PHE 22 N -0.96 2.37 -0.00 5.12 5.36 -1.26 -1.12 117.98 127.48 1n2r s PHE 22 Ca 0.36 -1.20 0.05 0.00 -0.96 0.00 0.00 56.93 55.19 1n2r s PHE 22 Cb -0.23 -1.65 -0.01 0.00 -0.34 0.00 0.00 43.02 40.79 1n2r s PHE 22 CO 0.26 -0.58 -0.17 0.42 -1.46 0.00 0.00 175.22 173.69 1n2r s ILE 23 N 0.97 1.32 -0.03 3.12 1.01 -0.13 -1.22 121.20 126.24 1n2r s ILE 23 Ca -0.05 -0.79 0.02 0.00 0.00 0.00 0.00 60.65 59.83 1n2r s ILE 23 Cb -0.15 -1.12 0.01 0.00 0.01 0.00 0.00 42.46 41.21 1n2r s ILE 23 CO -0.03 0.32 -0.07 -0.89 0.00 0.00 0.00 174.94 174.27 1n2r s THR 24 N -0.48 0.60 -0.00 2.92 2.01 -0.20 -1.03 115.64 119.46 1n2r s THR 24 Ca 0.06 -0.25 0.03 0.00 0.31 0.00 0.00 61.69 61.84 1n2r s THR 24 Cb -0.07 -0.56 -0.01 0.00 0.01 0.00 0.00 72.50 71.87 1n2r s THR 24 CO -0.00 0.20 -0.10 0.68 -0.69 0.00 0.00 174.62 174.72 1n2r s VAL 25 N 0.33 0.75 -0.01 3.82 -7.23 -0.66 -0.57 120.40 116.84 1n2r s VAL 25 Ca -0.04 -0.46 0.08 0.00 -1.81 0.00 0.00 61.98 59.75 1n2r s VAL 25 Cb -0.09 -0.64 -0.02 0.00 0.56 0.00 0.00 36.38 36.19 1n2r s VAL 25 CO 0.00 0.18 -0.26 -0.83 -0.31 0.00 0.00 175.10 173.88 1n2r s GLY 26 N -0.31 1.31 0.08 2.32 0.00 -0.32 -0.71 107.32 109.69 1n2r s GLY 26 Ca 0.03 -1.15 0.05 0.00 0.00 0.00 0.00 44.72 43.65 1n2r s GLY 26 CO -0.00 -0.97 -0.12 -0.19 0.00 0.00 0.00 173.10 171.81 1n2r s TYR 27 N -0.66 1.14 -0.18 1.90 1.51 0.21 -0.90 117.35 120.38 1n2r s TYR 27 Ca 0.10 -0.53 0.01 0.00 -1.01 0.00 0.00 57.07 55.65 1n2r s TYR 27 Cb -0.10 -0.63 0.03 0.00 -0.11 0.00 0.00 41.96 41.15 1n2r s TYR 27 CO -0.00 0.04 -0.14 0.08 -1.11 0.00 0.00 175.55 174.41 1n2r s VAL 28 N -1.70 1.80 0.00 0.71 1.01 -0.63 -1.06 120.40 120.53 1n2r s VAL 28 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.06 1n2r s VAL 28 Cb -0.08 -1.74 0.00 0.00 0.00 0.00 0.00 36.38 34.57 1n2r s VAL 28 CO 0.02 0.35 0.00 0.47 0.00 0.00 0.00 175.10 175.94 1n2r n ASP 29 N 4.67 0.00 -2.02 3.32 8.00 0.22 -1.15 116.55 129.59 1n2r n ASP 29 Ca -0.17 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.28 1n2r n ASP 29 Cb 0.48 0.00 0.32 0.00 -0.02 0.00 0.00 41.12 41.90 1n2r n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1n2r n ASP 30 N 4.16 4.97 -4.27 -2.24 8.00 -1.26 -4.89 116.55 121.02 1n2r n ASP 30 Ca 0.00 -3.18 -0.35 0.00 0.71 0.00 0.00 54.79 51.97 1n2r n ASP 30 Cb 0.00 -0.74 -0.14 0.00 -0.02 0.00 0.00 41.12 40.22 1n2r n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1n2r s THR 31 N -2.95 3.24 0.10 -3.53 2.01 -0.30 -5.02 115.64 109.18 1n2r s THR 31 Ca 0.55 -0.72 -0.31 0.00 0.31 0.00 0.00 61.69 61.52 1n2r s THR 31 Cb 0.44 -2.56 -0.07 0.00 0.01 0.00 0.00 72.50 70.33 1n2r s THR 31 CO 0.14 0.30 1.26 -0.22 -0.69 0.00 0.00 174.62 175.41 1n2r s LEU 32 N 1.42 4.38 0.00 4.42 2.96 -1.26 -1.60 118.68 129.00 1n2r s LEU 32 Ca 0.03 2.14 0.00 0.00 -0.22 0.00 0.00 54.13 56.09 1n2r s LEU 32 Cb -0.15 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 42.95 1n2r s LEU 32 CO -0.03 -0.51 0.00 2.22 -1.32 0.00 0.00 176.35 176.70 1n2r n PHE 33 N 3.73 0.00 -3.75 5.38 -1.74 -0.07 -4.16 117.46 116.85 1n2r n PHE 33 Ca 0.09 0.00 -0.13 0.00 -0.56 0.00 0.00 57.45 56.85 1n2r n PHE 33 Cb 0.45 0.00 -0.08 0.00 1.52 0.00 0.00 39.48 41.36 1n2r n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 1n2r s VAL 34 N -1.31 0.06 0.05 1.97 -7.23 -1.20 -0.62 120.40 112.12 1n2r s VAL 34 Ca 0.00 -0.50 -0.09 0.00 -1.81 0.00 0.00 61.98 59.58 1n2r s VAL 34 Cb 0.00 -0.67 0.00 0.00 0.56 0.00 0.00 36.38 36.27 1n2r s VAL 34 CO 0.00 -0.27 0.18 0.00 -0.31 0.00 0.00 175.10 174.70 1n2r s ARG 35 N -1.52 0.71 -0.12 4.82 1.70 -0.77 -1.17 118.95 122.60 1n2r s ARG 35 Ca -0.12 -0.71 -0.08 0.00 -0.47 0.00 0.00 55.73 54.35 1n2r s ARG 35 Cb -0.04 0.29 0.04 0.00 -0.57 0.00 0.00 34.95 34.67 1n2r s ARG 35 CO 0.03 -0.21 0.30 0.12 -1.08 0.00 0.00 175.30 174.46 1n2r s PHE 36 N -2.85 -0.38 -0.07 5.89 2.19 0.27 -0.86 117.98 122.17 1n2r s PHE 36 Ca -0.03 0.89 -0.01 0.00 0.33 0.00 0.00 56.93 58.11 1n2r s PHE 36 Cb 0.00 0.11 0.03 0.00 -1.31 0.00 0.00 43.02 41.85 1n2r s PHE 36 CO -0.05 -0.23 0.01 0.34 1.83 0.00 0.00 175.22 177.11 1n2r s ASP 37 N 0.93 1.57 0.34 6.13 -1.08 -1.26 -1.03 116.67 122.26 1n2r s ASP 37 Ca -0.06 -0.08 0.26 0.00 -0.52 0.00 0.00 52.55 52.14 1n2r s ASP 37 Cb -0.07 -0.42 1.15 0.00 -1.46 0.00 0.00 42.92 42.11 1n2r s ASP 37 CO -0.06 -0.20 1.78 0.77 0.52 0.00 0.00 175.17 177.97 1n2r h SER 38 N 8.33 0.00 -0.02 -0.34 4.64 -1.56 -2.18 113.55 122.42 1n2r h SER 38 Ca -0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 1n2r h SER 38 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1n2r h SER 38 CO 0.25 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.68 1n2r n ASP 39 N -2.41 1.07 -4.76 4.97 8.00 -1.26 -4.83 116.55 117.33 1n2r n ASP 39 Ca 0.01 -1.38 -0.32 0.00 0.71 0.00 0.00 54.79 53.80 1n2r n ASP 39 Cb 0.19 -0.01 0.07 0.00 -0.02 0.00 0.00 41.12 41.36 1n2r n ASP 39 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1n2r s ALA 40 N -1.98 2.30 0.16 2.24 0.00 -0.82 -4.94 121.76 118.71 1n2r s ALA 40 Ca 0.40 0.50 -0.16 0.00 0.00 0.00 0.00 51.96 52.71 1n2r s ALA 40 Cb 0.21 -3.33 0.08 0.00 0.00 0.00 0.00 23.12 20.08 1n2r s ALA 40 CO 0.34 -1.59 1.75 1.15 0.00 0.00 0.00 175.76 177.41 1n2r h THR 41 N -0.48 0.89 -2.51 0.00 2.02 -1.91 -3.28 112.91 107.64 1n2r h THR 41 Ca -0.46 -0.10 -0.60 0.00 0.77 0.00 0.00 66.41 66.03 1n2r h THR 41 Cb 1.25 0.57 -0.40 0.00 -1.74 0.00 0.00 68.15 67.83 1n2r h THR 41 CO 0.52 0.05 -0.82 -1.20 0.37 0.00 0.00 175.52 174.44 1n2r n SER 42 N -5.01 1.27 -4.70 4.18 7.64 -1.26 -5.10 113.62 110.64 1n2r n SER 42 Ca 0.02 -2.83 -0.58 0.00 1.01 0.00 0.00 58.87 56.49 1n2r n SER 42 Cb 0.14 -0.65 -0.07 0.00 -1.01 0.00 0.00 64.21 62.62 1n2r n SER 42 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1n2r n PRO 43 N 2.07 1.00 -3.48 1.43 -0.02 -1.24 -4.97 135.00 129.79 1n2r n PRO 43 Ca 0.25 0.37 -0.10 0.00 -2.02 0.00 0.00 63.50 62.01 1n2r n PRO 43 Cb 0.44 -2.02 -0.02 0.00 -0.02 0.00 0.00 33.50 31.87 1n2r n PRO 43 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1n2r s ARG 44 N 3.19 0.94 0.11 -0.52 1.70 -1.26 -5.02 118.95 118.08 1n2r s ARG 44 Ca 0.98 -0.32 -0.31 0.00 -0.47 0.00 0.00 55.73 55.61 1n2r s ARG 44 Cb -1.11 0.43 -0.08 0.00 -0.57 0.00 0.00 34.95 33.62 1n2r s ARG 44 CO 0.66 -0.41 1.51 0.15 -1.08 0.00 0.00 175.30 176.13 1n2r s LYS 45 N -3.20 4.25 -0.01 3.89 -0.14 -1.26 -4.57 119.74 118.71 1n2r s LYS 45 Ca 0.03 2.22 0.07 0.00 -1.36 0.00 0.00 55.97 56.93 1n2r s LYS 45 Cb -0.01 -3.33 -0.02 0.00 -1.68 0.00 0.00 37.83 32.79 1n2r s LYS 45 CO -0.09 -0.58 -0.23 -1.21 -0.76 0.00 0.00 175.35 172.48 1n2r s GLU 46 N 1.60 1.81 0.37 1.68 2.02 -0.04 -4.93 118.70 121.21 1n2r s GLU 46 Ca 0.68 -0.83 -0.27 0.00 0.02 0.00 0.00 54.97 54.58 1n2r s GLU 46 Cb -0.39 -1.77 -0.09 0.00 0.10 0.00 0.00 34.13 31.98 1n2r s GLU 46 CO 0.31 0.48 1.23 -1.25 0.02 0.00 0.00 175.26 176.05 1n2r s PRO 47 N -0.60 4.16 0.00 0.39 0.04 -1.26 -1.85 135.00 135.88 1n2r s PRO 47 Ca 0.09 2.00 0.00 0.00 0.04 0.00 0.00 61.00 63.13 1n2r s PRO 47 Cb -0.09 -2.84 0.00 0.00 0.04 0.00 0.00 34.50 31.61 1n2r s PRO 47 CO -0.01 -0.28 0.37 0.54 0.04 0.00 0.00 177.00 177.67 1n2r n ARG 48 N 0.37 -0.52 -4.00 4.56 5.12 0.20 -4.90 116.66 117.49 1n2r n ARG 48 Ca 0.03 -0.40 -0.12 0.00 -1.93 0.00 0.00 57.85 55.43 1n2r n ARG 48 Cb 0.44 -0.84 -0.13 0.00 -1.16 0.00 0.00 32.46 30.77 1n2r n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1n2r s ALA 49 N -0.04 0.24 0.17 7.54 0.00 -1.23 -4.72 121.76 123.72 1n2r s ALA 49 Ca 0.00 -0.36 -0.15 0.00 0.00 0.00 0.00 51.96 51.45 1n2r s ALA 49 Cb 0.00 0.02 0.12 0.00 0.00 0.00 0.00 23.12 23.27 1n2r s ALA 49 CO 0.00 -0.02 1.72 -1.35 0.00 0.00 0.00 175.76 176.11 1n2r h PRO 50 N 5.40 0.18 0.00 0.00 0.11 -1.95 -2.91 132.00 132.84 1n2r h PRO 50 Ca -0.29 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1n2r h PRO 50 Cb 1.20 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1n2r h PRO 50 CO 0.46 0.12 0.00 0.11 -0.21 0.00 0.00 178.00 178.48 1n2r h TRP 51 N 0.19 0.00 0.00 0.65 5.08 -1.98 -2.26 115.95 117.62 1n2r h TRP 51 Ca 0.20 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.17 1n2r h TRP 51 Cb 0.26 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.42 1n2r h TRP 51 CO -0.22 0.00 -0.98 1.51 -1.28 0.00 0.00 178.44 177.47 1n2r n ILE 52 N -2.38 0.31 0.30 0.12 0.13 -1.10 -4.16 119.36 112.59 1n2r n ILE 52 Ca -0.01 -0.34 0.16 0.00 -1.10 0.00 0.00 62.75 61.46 1n2r n ILE 52 Cb 0.09 -0.02 0.91 0.00 -0.84 0.00 0.00 39.64 39.78 1n2r n ILE 52 CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 1n2r h GLU 53 N 0.00 0.00 0.00 9.51 5.08 -1.49 -2.13 114.58 125.55 1n2r h GLU 53 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1n2r h GLU 53 Cb 0.81 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.06 1n2r h GLU 53 CO 0.00 0.03 0.00 0.00 -1.00 0.00 0.00 179.01 178.04 1n2r n GLN 54 N -3.62 0.02 -1.82 2.33 10.64 -1.26 -4.82 117.38 118.85 1n2r n GLN 54 Ca -0.03 0.07 -0.41 0.00 -1.83 0.00 0.00 57.00 54.80 1n2r n GLN 54 Cb 0.13 -1.50 -0.01 0.00 -0.86 0.00 0.00 30.24 28.00 1n2r n GLN 54 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 1n2r s GLU 55 N -2.98 4.13 1.11 2.61 0.41 -0.80 -4.95 118.70 118.23 1n2r s GLU 55 Ca 0.13 2.55 -0.12 0.00 -0.41 0.00 0.00 54.97 57.12 1n2r s GLU 55 Cb 0.16 -3.00 0.25 0.00 -1.78 0.00 0.00 34.13 29.77 1n2r s GLU 55 CO 0.45 -0.55 1.06 0.20 -0.49 0.00 0.00 175.26 175.94 1n2r s GLY 56 N 0.07 1.59 0.47 -1.39 0.00 -1.26 -4.82 107.32 101.98 1n2r s GLY 56 Ca 0.56 0.12 0.15 0.00 0.00 0.00 0.00 44.72 45.54 1n2r s GLY 56 CO 0.57 0.76 2.07 -2.55 0.00 0.00 0.00 173.10 173.94 1n2r h PRO 57 N -2.49 0.23 -0.35 2.90 0.11 -1.97 -1.24 132.00 129.19 1n2r h PRO 57 Ca -0.57 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.42 1n2r h PRO 57 Cb 1.32 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 1n2r h PRO 57 CO 0.47 0.15 -0.24 0.93 -0.21 0.00 0.00 178.00 179.09 1n2r h GLU 58 N 0.23 0.70 0.28 1.05 4.39 -1.99 -2.21 114.58 117.04 1n2r h GLU 58 Ca 0.14 -0.29 0.00 0.00 0.34 0.00 0.00 59.36 59.55 1n2r h GLU 58 Cb 0.25 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.83 1n2r h GLU 58 CO -0.03 0.88 -0.42 -0.92 -1.16 0.00 0.00 179.01 177.37 1n2r h TYR 59 N 0.61 -1.15 -0.38 4.33 3.20 -1.56 -0.20 116.97 121.83 1n2r h TYR 59 Ca 0.08 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.95 1n2r h TYR 59 Cb 0.74 0.47 -0.02 0.00 1.54 0.00 0.00 36.73 39.46 1n2r h TYR 59 CO 0.04 -0.55 0.16 -1.49 -1.64 0.00 0.00 178.16 174.68 1n2r h TRP 60 N -0.76 0.52 -0.18 -3.82 4.06 -1.45 0.21 115.95 114.53 1n2r h TRP 60 Ca -0.01 -0.01 -0.20 0.00 2.06 0.00 0.00 58.89 60.72 1n2r h TRP 60 Cb 0.72 -0.17 0.00 0.00 -1.00 0.00 0.00 29.16 28.72 1n2r h TRP 60 CO -0.29 0.41 -0.69 -0.44 -3.56 0.00 0.00 178.44 173.87 1n2r h ASP 61 N 0.53 0.85 -0.20 -3.49 3.32 -1.10 -1.28 116.42 115.06 1n2r h ASP 61 Ca 0.13 -0.52 -0.07 0.00 0.02 0.00 0.00 57.03 56.60 1n2r h ASP 61 Cb 0.09 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.39 1n2r h ASP 61 CO -0.02 1.30 -0.13 -0.09 -1.72 0.00 0.00 179.24 178.59 1n2r h ARG 62 N 0.53 0.44 -0.87 3.56 2.43 -0.66 -1.87 114.38 117.94 1n2r h ARG 62 Ca -0.03 -0.21 -0.02 0.00 -0.81 0.00 0.00 59.98 58.92 1n2r h ARG 62 Cb 1.30 -0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.80 1n2r h ARG 62 CO 0.14 0.75 0.46 0.93 -1.51 0.00 0.00 179.97 180.75 1n2r h GLU 63 N 0.13 1.22 -0.46 0.20 4.39 -0.99 -1.68 114.58 117.39 1n2r h GLU 63 Ca 0.04 -0.15 -0.11 0.00 0.34 0.00 0.00 59.36 59.48 1n2r h GLU 63 Cb 0.64 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 1n2r h GLU 63 CO 0.04 0.91 -0.13 1.15 -1.16 0.00 0.00 179.01 179.81 1n2r h THR 64 N 1.22 1.27 -0.79 1.13 2.02 -1.19 -2.51 112.91 114.07 1n2r h THR 64 Ca 0.30 -1.27 -0.04 0.00 0.77 0.00 0.00 66.41 66.18 1n2r h THR 64 Cb 0.05 1.13 -0.04 0.00 -1.74 0.00 0.00 68.15 67.55 1n2r h THR 64 CO -0.05 0.43 0.34 -0.61 0.37 0.00 0.00 175.52 176.01 1n2r h GLN 65 N 0.75 1.16 -0.55 6.66 5.75 -1.04 0.16 115.11 128.00 1n2r h GLN 65 Ca 0.11 -0.19 0.04 0.00 -0.15 0.00 0.00 58.65 58.46 1n2r h GLN 65 Cb 0.69 -0.20 -0.04 0.00 1.07 0.00 0.00 27.48 29.00 1n2r h GLN 65 CO 0.05 0.92 0.31 0.82 -2.65 0.00 0.00 178.83 178.28 1n2r h ILE 66 N 1.13 1.00 -0.32 2.39 2.04 -1.16 0.23 117.51 122.83 1n2r h ILE 66 Ca 0.27 -0.20 -0.14 0.00 1.00 0.00 0.00 64.86 65.79 1n2r h ILE 66 Cb 0.18 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 1n2r h ILE 66 CO -0.03 0.11 -0.35 0.28 0.00 0.00 0.00 178.15 178.16 1n2r h SER 67 N 0.59 0.76 -0.47 1.72 0.02 -0.99 -0.61 113.55 114.58 1n2r h SER 67 Ca 0.23 -0.32 -0.12 0.00 -0.84 0.00 0.00 61.79 60.73 1n2r h SER 67 Cb 0.09 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.40 1n2r h SER 67 CO -0.13 1.04 -0.18 0.11 -1.14 0.00 0.00 176.83 176.53 1n2r h LYS 68 N 0.60 0.98 -0.52 3.45 1.57 -0.52 -0.35 116.57 121.78 1n2r h LYS 68 Ca 0.06 -0.39 -0.04 0.00 -1.87 0.00 0.00 60.65 58.41 1n2r h LYS 68 Cb 0.88 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.13 1n2r h LYS 68 CO 0.08 1.06 0.17 1.15 -0.57 0.00 0.00 179.45 181.34 1n2r h THR 69 N 0.85 1.23 -0.43 -0.16 2.02 -0.86 -2.61 112.91 112.95 1n2r h THR 69 Ca 0.12 -0.77 -0.01 0.00 0.77 0.00 0.00 66.41 66.52 1n2r h THR 69 Cb 0.74 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 67.88 1n2r h THR 69 CO 0.06 0.28 0.21 0.78 0.37 0.00 0.00 175.52 177.22 1n2r h ASN 70 N 0.71 0.53 -0.61 4.18 2.35 -0.74 -0.10 115.58 121.90 1n2r h ASN 70 Ca 0.17 -0.04 0.03 0.00 -0.55 0.00 0.00 56.30 55.91 1n2r h ASN 70 Cb 0.27 -0.13 -0.04 0.00 0.05 0.00 0.00 38.32 38.46 1n2r h ASN 70 CO -0.01 0.45 0.37 0.74 -1.65 0.00 0.00 177.43 177.34 1n2r h THR 71 N 0.60 1.07 -0.17 2.81 2.02 -0.68 0.54 112.91 119.10 1n2r h THR 71 Ca 0.15 -0.25 -0.16 0.00 0.77 0.00 0.00 66.41 66.93 1n2r h THR 71 Cb 0.06 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 66.74 1n2r h THR 71 CO -0.02 0.13 -0.50 1.56 0.37 0.00 0.00 175.52 177.06 1n2r h GLN 72 N 0.73 0.64 -0.46 6.66 1.08 -1.27 -2.84 115.11 119.65 1n2r h GLN 72 Ca 0.25 -0.46 0.00 0.00 -1.45 0.00 0.00 58.65 56.99 1n2r h GLN 72 Cb 0.03 0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.51 1n2r h GLN 72 CO -0.11 1.08 0.30 1.15 -0.95 0.00 0.00 178.83 180.30 1n2r h THR 73 N 0.31 1.13 0.00 -0.54 2.02 -0.70 -2.33 112.91 112.79 1n2r h THR 73 Ca -0.02 -0.26 -0.03 0.00 0.77 0.00 0.00 66.41 66.87 1n2r h THR 73 Cb 1.12 0.47 -0.00 0.00 -1.74 0.00 0.00 68.15 68.00 1n2r h THR 73 CO 0.11 0.13 -0.17 1.88 0.37 0.00 0.00 175.52 177.84 1n2r h TYR 74 N 0.62 0.00 -0.15 3.16 0.05 -0.97 -0.23 116.97 119.45 1n2r h TYR 74 Ca 0.17 0.00 -0.15 0.00 0.05 0.00 0.00 58.73 58.80 1n2r h TYR 74 Cb -0.05 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.68 1n2r h TYR 74 CO -0.04 0.17 -0.53 0.00 -1.05 0.00 0.00 178.16 176.70 1n2r h ARG 75 N 0.00 0.43 -0.28 4.88 3.08 -1.22 -0.70 114.38 120.58 1n2r h ARG 75 Ca -0.00 -0.26 -0.09 0.00 0.07 0.00 0.00 59.98 59.69 1n2r h ARG 75 Cb 0.81 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.88 1n2r h ARG 75 CO 0.02 0.86 -0.18 1.49 -1.07 0.00 0.00 179.97 181.09 1n2r h GLU 76 N 0.34 0.61 -0.98 0.04 4.81 -0.92 -2.61 114.58 115.86 1n2r h GLU 76 Ca 0.01 -0.29 0.06 0.00 -0.13 0.00 0.00 59.36 59.01 1n2r h GLU 76 Cb 1.04 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.35 1n2r h GLU 76 CO 0.09 0.87 0.63 -0.91 -0.73 0.00 0.00 179.01 178.97 1n2r h ASN 77 N 0.34 1.01 -0.67 1.04 -0.26 -0.78 -0.22 115.58 116.04 1n2r h ASN 77 Ca 0.06 0.01 -0.05 0.00 -0.56 0.00 0.00 56.30 55.75 1n2r h ASN 77 Cb 0.72 -0.21 -0.03 0.00 -1.06 0.00 0.00 38.32 37.73 1n2r h ASN 77 CO 0.05 0.65 0.24 -0.07 -1.06 0.00 0.00 177.43 177.24 1n2r h LEU 78 N 1.15 0.96 -0.66 1.61 3.38 -0.92 0.41 115.31 121.25 1n2r h LEU 78 Ca 0.42 -0.16 -0.12 0.00 0.09 0.00 0.00 57.88 58.10 1n2r h LEU 78 Cb 0.15 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1n2r h LEU 78 CO -0.16 0.88 -0.29 0.03 0.09 0.00 0.00 178.44 178.99 1n2r h ARG 79 N 1.01 0.72 -0.40 1.13 3.08 -0.89 -2.55 114.38 116.48 1n2r h ARG 79 Ca 0.23 -0.32 -0.07 0.00 0.07 0.00 0.00 59.98 59.88 1n2r h ARG 79 Cb 0.25 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 1n2r h ARG 79 CO -0.01 0.93 -0.04 1.15 -1.07 0.00 0.00 179.97 180.92 1n2r h THR 80 N 0.62 1.27 -0.51 2.04 2.02 -0.64 -2.86 112.91 114.84 1n2r h THR 80 Ca 0.07 -1.09 0.00 0.00 0.77 0.00 0.00 66.41 66.16 1n2r h THR 80 Cb 0.81 1.17 -0.03 0.00 -1.74 0.00 0.00 68.15 68.36 1n2r h THR 80 CO 0.07 0.37 0.33 0.00 0.37 0.00 0.00 175.52 176.66 1n2r h ALA 81 N 0.86 1.62 -0.59 6.16 0.00 -0.78 -0.09 119.26 126.44 1n2r h ALA 81 Ca 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1n2r h ALA 81 Cb 0.54 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1n2r h ALA 81 CO 0.03 0.35 0.38 -0.07 0.00 0.00 0.00 179.25 179.94 1n2r h LEU 82 N 0.70 0.69 -0.13 0.00 3.38 -1.23 -1.66 115.31 117.06 1n2r h LEU 82 Ca 0.19 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 1n2r h LEU 82 Cb -0.07 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.51 1n2r h LEU 82 CO -0.04 0.51 -0.02 0.03 0.09 0.00 0.00 178.44 179.02 1n2r h ARG 83 N 0.80 0.23 -0.37 1.13 3.08 -1.07 0.17 114.38 118.36 1n2r h ARG 83 Ca 0.22 -0.08 0.11 0.00 0.07 0.00 0.00 59.98 60.29 1n2r h ARG 83 Cb -0.07 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 1n2r h ARG 83 CO -0.05 0.50 0.27 1.88 -1.07 0.00 0.00 179.97 181.51 1n2r h TYR 84 N -0.06 0.00 -0.37 3.04 -1.99 -0.86 -2.05 116.97 114.67 1n2r h TYR 84 Ca 0.03 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.76 1n2r h TYR 84 Cb 0.41 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.14 1n2r h TYR 84 CO 0.04 0.00 0.00 0.66 -0.00 0.00 0.00 178.16 178.86 1n2r n TYR 85 N -4.41 0.56 -3.81 4.88 4.01 -0.64 -4.80 117.16 112.95 1n2r n TYR 85 Ca 0.06 -0.53 -0.26 0.00 -0.16 0.00 0.00 57.90 57.00 1n2r n TYR 85 Cb 0.45 -0.05 0.03 0.00 -0.31 0.00 0.00 39.34 39.46 1n2r n TYR 85 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1n2r n ASN 86 N 0.53 -3.25 -4.87 7.72 3.02 -0.42 -4.98 115.26 113.00 1n2r n ASN 86 Ca 0.14 -0.79 -0.25 0.00 -0.03 0.00 0.00 54.58 53.64 1n2r n ASN 86 Cb 0.49 -3.99 -0.04 0.00 -0.61 0.00 0.00 39.78 35.62 1n2r n ASN 86 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1n2r s GLN 87 N -6.33 3.16 0.88 3.52 -0.21 -0.08 -5.04 119.66 115.56 1n2r s GLN 87 Ca 0.37 -0.77 -0.14 0.00 0.02 0.00 0.00 55.36 54.84 1n2r s GLN 87 Cb -0.18 -2.79 0.14 0.00 1.00 0.00 0.00 33.01 31.18 1n2r s GLN 87 CO 0.82 0.49 1.24 -1.54 -2.12 0.00 0.00 175.29 174.17 1n2r s SER 88 N -3.30 3.82 0.00 5.90 1.04 -1.26 -4.71 113.70 115.18 1n2r s SER 88 Ca 0.33 0.56 0.18 0.00 0.48 0.00 0.00 55.95 57.50 1n2r s SER 88 Cb -0.10 -0.86 0.51 0.00 0.10 0.00 0.00 66.02 65.67 1n2r s SER 88 CO 0.26 -2.32 1.41 -0.62 0.98 0.00 0.00 173.24 172.95 1n2r n GLU 89 N -3.55 2.10 0.11 4.02 1.02 -1.26 -4.21 120.64 118.87 1n2r n GLU 89 Ca 0.11 -1.69 0.12 0.00 -0.02 0.00 0.00 57.16 55.68 1n2r n GLU 89 Cb 0.60 -1.40 0.05 0.00 -0.02 0.00 0.00 31.44 30.67 1n2r n GLU 89 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1n2r h ALA 90 N 4.03 0.57 -2.12 0.62 0.00 -1.99 -3.44 119.26 116.92 1n2r h ALA 90 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 54.91 54.45 1n2r h ALA 90 Cb 0.67 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.47 1n2r h ALA 90 CO 0.00 0.00 -0.23 0.20 0.00 0.00 0.00 179.25 179.22 1n2r s GLY 91 N -4.22 1.41 -0.11 0.00 0.00 -1.26 -4.78 107.32 98.37 1n2r s GLY 91 Ca 0.02 -1.09 -0.15 0.00 0.00 0.00 0.00 44.72 43.49 1n2r s GLY 91 CO 0.76 -1.01 0.38 -0.45 0.00 0.00 0.00 173.10 172.78 1n2r s SER 92 N -4.09 6.61 0.16 1.64 0.15 -1.26 -4.61 113.70 112.30 1n2r s SER 92 Ca 0.42 0.72 0.05 0.00 0.70 0.00 0.00 55.95 57.84 1n2r s SER 92 Cb -0.10 -2.23 -0.04 0.00 -1.71 0.00 0.00 66.02 61.94 1n2r s SER 92 CO 0.34 0.13 -0.11 -1.00 1.20 0.00 0.00 173.24 173.81 1n2r s HIS 93 N 0.10 1.36 -0.03 3.44 3.76 -1.25 -4.94 115.29 117.72 1n2r s HIS 93 Ca 0.21 -0.73 0.02 0.00 -0.15 0.00 0.00 55.06 54.41 1n2r s HIS 93 Cb -0.15 -0.68 0.01 0.00 1.11 0.00 0.00 32.58 32.87 1n2r s HIS 93 CO 0.08 0.13 -0.07 0.42 -0.85 0.00 0.00 174.74 174.45 1n2r s ILE 94 N -3.26 0.68 -0.08 0.60 1.01 -1.26 -0.73 121.20 118.15 1n2r s ILE 94 Ca 0.18 -0.27 0.03 0.00 0.00 0.00 0.00 60.65 60.60 1n2r s ILE 94 Cb 0.02 -0.64 -0.02 0.00 0.01 0.00 0.00 42.46 41.83 1n2r s ILE 94 CO 0.02 0.23 -0.16 -0.63 0.00 0.00 0.00 174.94 174.40 1n2r s ILE 95 N 0.47 2.81 0.08 2.92 1.01 -0.01 0.03 121.20 128.52 1n2r s ILE 95 Ca -0.07 -0.79 0.07 0.00 0.00 0.00 0.00 60.65 59.86 1n2r s ILE 95 Cb -0.11 -2.11 -0.03 0.00 0.01 0.00 0.00 42.46 40.22 1n2r s ILE 95 CO 0.01 0.56 -0.18 -1.10 0.00 0.00 0.00 174.94 174.22 1n2r s GLN 96 N -0.19 1.03 -0.02 2.79 -0.21 -0.44 -0.72 119.66 121.90 1n2r s GLN 96 Ca -0.01 -1.05 -0.03 0.00 0.02 0.00 0.00 55.36 54.30 1n2r s GLN 96 Cb -0.13 -1.19 0.01 0.00 1.00 0.00 0.00 33.01 32.69 1n2r s GLN 96 CO 0.03 0.28 0.07 0.50 -2.12 0.00 0.00 175.29 174.05 1n2r s ARG 97 N -1.75 0.11 -0.04 2.91 3.52 -0.69 -0.84 118.95 122.18 1n2r s ARG 97 Ca 0.03 0.04 0.00 0.00 -0.13 0.00 0.00 55.73 55.68 1n2r s ARG 97 Cb -0.10 0.05 0.02 0.00 -1.56 0.00 0.00 34.95 33.37 1n2r s ARG 97 CO 0.03 -0.02 -0.02 0.00 -0.81 0.00 0.00 175.30 174.49 1n2r s MET 98 N -0.11 0.52 0.08 5.12 0.23 -0.43 -0.36 119.30 124.35 1n2r s MET 98 Ca -0.02 0.01 -0.09 0.00 -1.03 0.00 0.00 55.69 54.57 1n2r s MET 98 Cb -0.01 -0.66 -0.00 0.00 -1.53 0.00 0.00 34.83 32.63 1n2r s MET 98 CO 0.00 -0.13 0.18 1.52 -2.03 0.00 0.00 175.02 174.57 1n2r s TYR 99 N 1.07 0.14 -5.00 3.16 1.13 -0.80 -1.09 117.35 115.96 1n2r s TYR 99 Ca -0.09 -0.54 0.00 0.00 -1.41 0.00 0.00 57.07 55.03 1n2r s TYR 99 Cb -0.14 -0.06 0.00 0.00 -1.10 0.00 0.00 41.96 40.66 1n2r s TYR 99 CO -0.01 -0.52 0.00 0.41 -2.51 0.00 0.00 175.55 172.92 1n2r n GLY 100 N 0.09 -0.81 3.07 5.49 0.00 -0.49 -1.04 105.19 111.51 1n2r n GLY 100 Ca -0.16 -1.18 -0.08 0.00 0.00 0.00 0.00 46.02 44.60 1n2r n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n2r s ASP 102 N -2.35 3.24 0.11 0.00 1.01 -0.16 -1.18 116.67 117.34 1n2r s ASP 102 Ca -0.02 -0.45 0.07 0.00 0.71 0.00 0.00 52.55 52.87 1n2r s ASP 102 Cb 0.01 -0.72 -0.04 0.00 1.01 0.00 0.00 42.92 43.18 1n2r s ASP 102 CO -0.06 0.28 -0.18 0.68 0.21 0.00 0.00 175.17 176.09 1n2r s VAL 103 N -0.36 1.57 0.77 -1.27 -7.23 0.54 0.61 120.40 115.02 1n2r s VAL 103 Ca 0.02 -1.61 -0.03 0.00 -1.81 0.00 0.00 61.98 58.56 1n2r s VAL 103 Cb -0.12 -1.53 0.15 0.00 0.56 0.00 0.00 36.38 35.43 1n2r s VAL 103 CO 0.02 -0.20 1.06 -0.83 -0.31 0.00 0.00 175.10 174.83 1n2r s GLY 104 N -2.13 1.76 0.49 2.32 0.00 -0.87 -1.14 107.32 107.75 1n2r s GLY 104 Ca 0.07 -1.74 0.28 0.00 0.00 0.00 0.00 44.72 43.34 1n2r s GLY 104 CO 0.04 -1.11 1.85 -2.55 0.00 0.00 0.00 173.10 171.33 1n2r h PRO 105 N -0.73 0.14 -0.00 2.90 0.11 -1.89 0.56 132.00 133.08 1n2r h PRO 105 Ca -0.36 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1n2r h PRO 105 Cb 1.26 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1n2r h PRO 105 CO 0.38 0.09 -0.01 -0.40 -0.21 0.00 0.00 178.00 177.85 1n2r n ASP 106 N -4.35 0.11 0.00 -2.05 5.75 -1.26 -4.90 116.55 109.85 1n2r n ASP 106 Ca 0.21 -0.72 0.00 0.00 -0.01 0.00 0.00 54.79 54.27 1n2r n ASP 106 Cb 0.96 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.96 1n2r n ASP 106 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1n2r n GLY 107 N 1.12 0.64 3.83 6.12 0.00 0.19 -5.03 105.19 112.06 1n2r n GLY 107 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 1n2r n GLY 107 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1n2r s ARG 108 N -0.04 4.17 0.11 1.61 3.52 -1.26 -4.75 118.95 122.30 1n2r s ARG 108 Ca 0.00 0.78 -0.34 0.00 -0.13 0.00 0.00 55.73 56.04 1n2r s ARG 108 Cb 0.00 -2.80 -0.14 0.00 -1.56 0.00 0.00 34.95 30.45 1n2r s ARG 108 CO 0.00 0.36 1.62 -0.11 -0.81 0.00 0.00 175.30 176.36 1n2r n LEU 109 N 0.52 3.08 -0.12 -0.88 7.94 -1.26 -2.05 117.00 124.22 1n2r n LEU 109 Ca -0.02 1.06 -0.23 0.00 -1.11 0.00 0.00 56.01 55.72 1n2r n LEU 109 Cb 0.52 -1.40 -0.11 0.00 0.53 0.00 0.00 43.42 42.95 1n2r n LEU 109 CO 0.43 -0.29 -1.32 0.18 -1.11 0.00 0.00 177.39 175.27 1n2r n LEU 110 N 3.97 2.49 -3.54 -1.96 4.77 0.20 -4.87 117.00 118.05 1n2r n LEU 110 Ca 0.18 0.10 -0.17 0.00 -0.03 0.00 0.00 56.01 56.10 1n2r n LEU 110 Cb 0.28 -0.89 -0.06 0.00 -2.33 0.00 0.00 43.42 40.42 1n2r n LEU 110 CO 0.65 0.76 0.45 -0.13 -1.33 0.00 0.00 177.39 177.79 1n2r s ARG 111 N -2.51 1.00 0.18 3.23 0.52 -1.16 -5.00 118.95 115.21 1n2r s ARG 111 Ca -0.36 0.37 0.09 0.00 -0.52 0.00 0.00 55.73 55.31 1n2r s ARG 111 Cb 0.11 0.47 -0.04 0.00 0.52 0.00 0.00 34.95 36.01 1n2r s ARG 111 CO 0.56 -0.29 -0.10 0.20 0.02 0.00 0.00 175.30 175.70 1n2r s GLY 112 N -0.93 1.73 0.02 -3.53 0.00 -1.26 -0.99 107.32 102.36 1n2r s GLY 112 Ca -0.09 -1.46 0.01 0.00 0.00 0.00 0.00 44.72 43.18 1n2r s GLY 112 CO 0.08 -1.48 -0.04 -0.19 0.00 0.00 0.00 173.10 171.47 1n2r s TYR 113 N -1.67 0.36 -0.30 1.90 1.51 0.51 -4.83 117.35 114.83 1n2r s TYR 113 Ca 0.24 -0.43 -0.04 0.00 -1.01 0.00 0.00 57.07 55.84 1n2r s TYR 113 Cb -0.09 -0.23 0.19 0.00 -0.11 0.00 0.00 41.96 41.71 1n2r s TYR 113 CO 0.15 -0.12 0.76 0.34 -1.11 0.00 0.00 175.55 175.57 1n2r s ASP 114 N -1.22 -1.08 0.02 2.29 2.15 -1.25 -1.39 116.67 116.18 1n2r s ASP 114 Ca -0.11 0.57 0.01 0.00 0.43 0.00 0.00 52.55 53.44 1n2r s ASP 114 Cb -0.08 1.86 -0.01 0.00 -0.30 0.00 0.00 42.92 44.39 1n2r s ASP 114 CO -0.00 -0.20 -0.03 -1.58 -0.17 0.00 0.00 175.17 173.18 1n2r s GLN 115 N 2.89 0.28 0.10 4.34 0.74 -0.25 -0.06 119.66 127.70 1n2r s GLN 115 Ca 0.13 -0.43 0.07 0.00 0.05 0.00 0.00 55.36 55.18 1n2r s GLN 115 Cb -0.12 -0.04 -0.03 0.00 1.10 0.00 0.00 33.01 33.91 1n2r s GLN 115 CO -0.19 -0.00 -0.18 -0.51 -0.55 0.00 0.00 175.29 173.86 1n2r s ASP 116 N -0.96 2.24 0.06 6.67 1.01 0.16 -1.32 116.67 124.53 1n2r s ASP 116 Ca -0.09 -0.68 0.03 0.00 0.71 0.00 0.00 52.55 52.52 1n2r s ASP 116 Cb -0.07 -0.11 -0.03 0.00 1.01 0.00 0.00 42.92 43.73 1n2r s ASP 116 CO -0.00 -0.00 -0.09 0.00 0.21 0.00 0.00 175.17 175.29 1n2r s ALA 117 N -1.30 0.73 -0.11 5.23 0.00 -0.02 -1.07 121.76 125.22 1n2r s ALA 117 Ca 0.04 -0.89 0.01 0.00 0.00 0.00 0.00 51.96 51.12 1n2r s ALA 117 Cb -0.09 0.04 0.02 0.00 0.00 0.00 0.00 23.12 23.08 1n2r s ALA 117 CO 0.04 -0.02 -0.13 -0.47 0.00 0.00 0.00 175.76 175.17 1n2r s TYR 118 N -1.70 1.80 -1.54 0.00 5.04 -0.26 -1.32 117.35 119.36 1n2r s TYR 118 Ca -0.05 -0.85 -0.12 0.00 -2.44 0.00 0.00 57.07 53.61 1n2r s TYR 118 Cb -0.08 -1.34 0.09 0.00 0.35 0.00 0.00 41.96 40.98 1n2r s TYR 118 CO -0.00 -0.47 0.85 -0.25 -1.34 0.00 0.00 175.55 174.34 1n2r n ASP 119 N 4.36 -3.58 0.00 4.32 8.00 0.10 -1.83 116.55 127.92 1n2r n ASP 119 Ca -0.18 -0.86 0.00 0.00 0.71 0.00 0.00 54.79 54.46 1n2r n ASP 119 Cb 0.51 -3.55 0.00 0.00 -0.02 0.00 0.00 41.12 38.06 1n2r n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1n2r n GLY 120 N -1.64 2.05 3.70 0.44 0.00 -1.26 -5.02 105.19 103.46 1n2r n GLY 120 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 1n2r n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n2r s LYS 121 N -0.00 2.81 0.28 1.61 1.02 -0.76 -5.06 119.74 119.63 1n2r s LYS 121 Ca 0.00 -0.61 -0.29 0.00 0.02 0.00 0.00 55.97 55.09 1n2r s LYS 121 Cb 0.00 -2.69 -0.14 0.00 -0.52 0.00 0.00 37.83 34.48 1n2r s LYS 121 CO 0.00 0.62 1.11 -0.25 -0.92 0.00 0.00 175.35 175.91 1n2r n ASP 122 N 1.29 1.66 0.00 2.83 8.00 -1.26 -1.10 116.55 127.96 1n2r n ASP 122 Ca -0.14 1.18 -0.00 0.00 0.71 0.00 0.00 54.79 56.54 1n2r n ASP 122 Cb 0.53 -1.32 -0.00 0.00 -0.02 0.00 0.00 41.12 40.30 1n2r n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1n2r n TYR 123 N 0.54 0.00 -3.88 1.24 9.36 -0.24 -4.66 117.16 119.53 1n2r n TYR 123 Ca 0.10 0.00 -0.10 0.00 3.32 0.00 0.00 57.90 61.21 1n2r n TYR 123 Cb 0.32 -0.01 -0.09 0.00 -0.63 0.00 0.00 39.34 38.93 1n2r n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 1n2r s ILE 124 N -1.10 0.10 -0.09 2.97 2.07 -1.11 -0.99 121.20 123.05 1n2r s ILE 124 Ca -0.00 -0.86 -0.12 0.00 -1.41 0.00 0.00 60.65 58.26 1n2r s ILE 124 Cb 0.00 -0.69 0.03 0.00 0.13 0.00 0.00 42.46 41.92 1n2r s ILE 124 CO 0.01 -0.47 0.31 0.00 -1.91 0.00 0.00 174.94 172.87 1n2r s ALA 125 N -2.04 -0.76 0.06 1.50 0.00 -0.72 -0.66 121.76 119.13 1n2r s ALA 125 Ca -0.09 0.74 -0.30 0.00 0.00 0.00 0.00 51.96 52.30 1n2r s ALA 125 Cb -0.04 -0.38 -0.05 0.00 0.00 0.00 0.00 23.12 22.65 1n2r s ALA 125 CO -0.01 -0.17 1.08 -1.17 0.00 0.00 0.00 175.76 175.49 1n2r s LEU 126 N -0.18 4.40 0.82 0.00 2.96 0.92 -1.34 118.68 126.25 1n2r s LEU 126 Ca -0.03 1.88 -0.11 0.00 -0.22 0.00 0.00 54.13 55.64 1n2r s LEU 126 Cb -0.03 -3.58 0.08 0.00 0.50 0.00 0.00 46.19 43.17 1n2r s LEU 126 CO 0.01 -0.32 1.09 0.20 -1.32 0.00 0.00 176.35 176.01 1n2r s ASN 127 N 0.79 4.19 0.61 3.68 0.01 -0.05 -4.58 114.94 119.58 1n2r s ASN 127 Ca 0.54 1.45 0.33 0.00 -0.71 0.00 0.00 52.86 54.47 1n2r s ASN 127 Cb -0.26 -2.17 1.91 0.00 0.41 0.00 0.00 41.25 41.14 1n2r s ASN 127 CO 0.30 -2.18 2.23 -0.08 -1.51 0.00 0.00 177.10 175.85 1n2r h GLU 128 N -1.23 0.00 0.00 -0.60 4.81 -1.89 0.09 114.58 115.76 1n2r h GLU 128 Ca -0.47 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1n2r h GLU 128 Cb 1.27 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.65 1n2r h GLU 128 CO 0.56 0.00 0.00 -0.40 -0.73 0.00 0.00 179.01 178.44 1n2r n ASP 129 N -3.62 0.00 -2.31 1.04 5.68 -1.26 -4.78 116.55 111.30 1n2r n ASP 129 Ca -0.02 0.30 -0.18 0.00 -0.50 0.00 0.00 54.79 54.40 1n2r n ASP 129 Cb 0.15 -0.41 -0.02 0.00 -1.14 0.00 0.00 41.12 39.70 1n2r n ASP 129 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1n2r n LEU 130 N -1.41 -1.65 0.00 -2.12 4.77 0.02 -4.78 117.00 111.83 1n2r n LEU 130 Ca 0.06 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 1n2r n LEU 130 Cb 0.19 -2.67 0.00 0.00 -2.33 0.00 0.00 43.42 38.60 1n2r n LEU 130 CO 0.16 -0.28 -0.00 -1.54 -1.33 0.00 0.00 177.39 174.40 1n2r n SER 131 N -1.84 0.00 -4.31 -1.43 3.41 -1.26 -4.52 113.62 103.66 1n2r n SER 131 Ca -0.21 -0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.23 1n2r n SER 131 Cb 0.66 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.51 1n2r n SER 131 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1n2r s SER 132 N -0.00 1.58 0.25 4.04 1.04 -1.26 -4.88 113.70 114.46 1n2r s SER 132 Ca 0.00 -1.25 0.11 0.00 0.48 0.00 0.00 55.95 55.29 1n2r s SER 132 Cb 0.00 0.06 -0.05 0.00 0.10 0.00 0.00 66.02 66.13 1n2r s SER 132 CO 0.00 -0.57 -0.18 0.26 0.98 0.00 0.00 173.24 173.72 1n2r s TRP 133 N -3.54 2.10 -0.22 5.02 0.52 -1.26 -0.88 118.94 120.69 1n2r s TRP 133 Ca 0.29 -0.41 0.01 0.00 0.02 0.00 0.00 56.10 56.01 1n2r s TRP 133 Cb 0.06 -0.93 0.05 0.00 -1.15 0.00 0.00 33.47 31.50 1n2r s TRP 133 CO 0.09 0.58 -0.07 0.99 0.02 0.00 0.00 176.95 178.57 1n2r s THR 134 N -2.59 1.50 -0.09 2.01 2.01 -0.45 -4.88 115.64 113.14 1n2r s THR 134 Ca 0.27 -1.08 -0.12 0.00 0.31 0.00 0.00 61.69 61.07 1n2r s THR 134 Cb -0.04 -1.70 -0.05 0.00 0.01 0.00 0.00 72.50 70.72 1n2r s THR 134 CO 0.12 0.00 0.28 0.00 -0.69 0.00 0.00 174.62 174.34 1n2r s ALA 135 N 1.43 3.73 0.05 7.40 0.00 -1.26 -1.76 121.76 131.34 1n2r s ALA 135 Ca -0.04 -0.43 0.13 0.00 0.00 0.00 0.00 51.96 51.62 1n2r s ALA 135 Cb -0.18 -2.25 0.16 0.00 0.00 0.00 0.00 23.12 20.86 1n2r s ALA 135 CO -0.07 0.41 1.48 0.00 0.00 0.00 0.00 175.76 177.59 1n2r h ALA 136 N 5.37 0.69 -3.54 0.00 0.00 -1.33 -3.47 119.26 116.98 1n2r h ALA 136 Ca -0.50 -0.58 -0.17 0.00 0.00 0.00 0.00 54.91 53.67 1n2r h ALA 136 Cb 1.21 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 1n2r h ALA 136 CO 0.64 0.79 0.02 -0.40 0.00 0.00 0.00 179.25 180.30 1n2r n ASP 137 N -3.40 -1.62 0.30 0.00 5.68 -1.26 -5.03 116.55 111.22 1n2r n ASP 137 Ca 0.01 -2.66 0.19 0.00 -0.50 0.00 0.00 54.79 51.82 1n2r n ASP 137 Cb 0.73 2.85 0.93 0.00 -1.14 0.00 0.00 41.12 44.49 1n2r n ASP 137 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 1n2r h THR 138 N 1.94 0.11 -0.01 2.12 1.35 -1.99 -0.91 112.91 115.52 1n2r h THR 138 Ca -0.28 -0.29 -0.07 0.00 -0.55 0.00 0.00 66.41 65.22 1n2r h THR 138 Cb 1.13 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 68.81 1n2r h THR 138 CO 0.37 0.02 -0.26 0.00 -0.25 0.00 0.00 175.52 175.40 1n2r h ALA 139 N 1.98 0.05 -0.04 6.62 0.00 -1.96 -3.10 119.26 122.81 1n2r h ALA 139 Ca -0.00 -0.45 -0.05 0.00 0.00 0.00 0.00 54.91 54.40 1n2r h ALA 139 Cb 0.25 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1n2r h ALA 139 CO 0.00 0.10 -0.23 0.00 0.00 0.00 0.00 179.25 179.12 1n2r h ALA 140 N 0.30 1.56 0.00 0.00 0.00 -1.75 -1.03 119.26 118.33 1n2r h ALA 140 Ca -0.03 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 1n2r h ALA 140 Cb 0.98 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 1n2r h ALA 140 CO 0.05 0.33 -0.12 1.96 0.00 0.00 0.00 179.25 181.47 1n2r h GLN 141 N 0.06 0.00 -0.40 0.00 4.20 -1.16 0.20 115.11 118.01 1n2r h GLN 141 Ca 0.01 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.65 1n2r h GLN 141 Cb 0.43 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 1n2r h GLN 141 CO 0.03 0.12 -0.00 0.82 -0.67 0.00 0.00 178.83 179.12 1n2r h ILE 142 N 0.00 1.26 -0.44 2.54 1.08 -1.11 -0.80 117.51 120.04 1n2r h ILE 142 Ca -0.00 -1.01 -0.12 0.00 -0.39 0.00 0.00 64.86 63.33 1n2r h ILE 142 Cb 0.22 1.13 -0.01 0.00 -3.07 0.00 0.00 36.82 35.09 1n2r h ILE 142 CO 0.02 0.34 -0.21 0.74 -0.69 0.00 0.00 178.15 178.35 1n2r h THR 143 N 0.53 1.27 -0.25 -0.27 2.02 -1.15 -2.75 112.91 112.31 1n2r h THR 143 Ca 0.11 -1.34 0.04 0.00 0.77 0.00 0.00 66.41 65.99 1n2r h THR 143 Cb 0.48 1.15 -0.04 0.00 -1.74 0.00 0.00 68.15 68.00 1n2r h THR 143 CO 0.02 0.46 0.01 -0.61 0.37 0.00 0.00 175.52 175.77 1n2r h GLN 144 N 0.77 0.09 -0.96 6.66 4.15 -0.32 0.08 115.11 125.60 1n2r h GLN 144 Ca 0.11 -0.01 0.06 0.00 0.77 0.00 0.00 58.65 59.59 1n2r h GLN 144 Cb 0.75 -0.02 -0.07 0.00 0.21 0.00 0.00 27.48 28.35 1n2r h GLN 144 CO 0.06 0.06 0.61 0.00 -1.93 0.00 0.00 178.83 177.63 1n2r h ARG 145 N 0.09 1.08 -0.40 1.69 3.08 -1.03 0.21 114.38 119.10 1n2r h ARG 145 Ca 0.12 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 60.05 1n2r h ARG 145 Cb 0.14 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 1n2r h ARG 145 CO -0.18 0.71 0.04 0.87 -1.07 0.00 0.00 179.97 180.34 1n2r h LYS 146 N 1.11 0.67 -0.05 0.04 1.57 -1.06 -1.22 116.57 117.63 1n2r h LYS 146 Ca 0.41 -0.19 -0.14 0.00 -1.87 0.00 0.00 60.65 58.86 1n2r h LYS 146 Cb 0.17 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1n2r h LYS 146 CO -0.17 0.74 -0.59 -1.49 -0.57 0.00 0.00 179.45 177.36 1n2r h TRP 147 N 0.51 0.19 -0.33 -1.35 4.06 -0.44 -1.64 115.95 116.96 1n2r h TRP 147 Ca 0.12 -0.07 -0.15 0.00 2.06 0.00 0.00 58.89 60.85 1n2r h TRP 147 Cb 0.41 -0.03 -0.00 0.00 -1.00 0.00 0.00 29.16 28.53 1n2r h TRP 147 CO 0.03 0.71 -0.37 0.93 -3.56 0.00 0.00 178.44 176.18 1n2r h GLU 148 N 0.11 0.84 0.00 0.49 5.08 -0.50 -0.92 114.58 119.68 1n2r h GLU 148 Ca -0.01 -0.45 -0.05 0.00 -1.00 0.00 0.00 59.36 57.85 1n2r h GLU 148 Cb 1.08 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 1n2r h GLU 148 CO 0.09 1.09 -0.25 0.00 -1.00 0.00 0.00 179.01 178.93 1n2r h ALA 149 N 0.73 1.58 -0.42 3.43 0.00 -1.06 -2.52 119.26 121.00 1n2r h ALA 149 Ca 0.05 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1n2r h ALA 149 Cb 0.95 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1n2r h ALA 149 CO 0.09 0.32 0.00 0.00 0.00 0.00 0.00 179.25 179.66 1n2r n ALA 150 N -2.49 2.43 -3.78 0.00 0.00 -0.63 -4.96 120.51 111.08 1n2r n ALA 150 Ca -0.02 -0.94 -0.23 0.00 0.00 0.00 0.00 53.44 52.25 1n2r n ALA 150 Cb 0.31 -0.94 0.02 0.00 0.00 0.00 0.00 19.45 18.84 1n2r n ALA 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1n2r n ARG 151 N 1.23 -4.69 -0.06 0.00 5.12 -0.67 -4.89 116.66 112.70 1n2r n ARG 151 Ca 0.19 0.58 -0.14 0.00 -1.93 0.00 0.00 57.85 56.55 1n2r n ARG 151 Cb 0.53 -5.10 -0.02 0.00 -1.16 0.00 0.00 32.46 26.71 1n2r n ARG 151 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1n2r h VAL 152 N -1.89 1.28 -0.87 1.55 2.07 -1.48 -3.15 116.25 113.76 1n2r h VAL 152 Ca -0.61 -1.75 0.05 0.00 0.82 0.00 0.00 66.70 65.21 1n2r h VAL 152 Cb 1.36 1.66 -0.05 0.00 -1.52 0.00 0.00 31.29 32.74 1n2r h VAL 152 CO 0.59 0.56 0.57 0.00 0.02 0.00 0.00 177.57 179.32 1n2r h ALA 153 N 0.76 1.50 -0.47 1.67 0.00 -1.90 -1.07 119.26 119.75 1n2r h ALA 153 Ca 0.01 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1n2r h ALA 153 Cb 1.15 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 1n2r h ALA 153 CO 0.12 0.39 0.05 0.93 0.00 0.00 0.00 179.25 180.74 1n2r h GLU 154 N 1.04 0.74 -0.18 0.00 3.07 -1.78 -0.28 114.58 117.18 1n2r h GLU 154 Ca 0.36 -0.17 -0.20 0.00 -0.50 0.00 0.00 59.36 58.85 1n2r h GLU 154 Cb 0.12 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 27.93 1n2r h GLU 154 CO -0.12 0.72 -0.70 1.96 -1.40 0.00 0.00 179.01 179.47 1n2r h GLN 155 N 0.70 0.73 -0.43 2.33 4.20 -1.24 -2.60 115.11 118.81 1n2r h GLN 155 Ca 0.15 -0.55 -0.11 0.00 0.06 0.00 0.00 58.65 58.20 1n2r h GLN 155 Cb 0.37 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 1n2r h GLN 155 CO 0.01 1.17 -0.14 -0.07 -0.67 0.00 0.00 178.83 179.13 1n2r h LEU 156 N 0.52 0.88 -0.62 1.46 3.38 -1.06 -2.55 115.31 117.31 1n2r h LEU 156 Ca -0.03 -0.38 0.06 0.00 0.09 0.00 0.00 57.88 57.62 1n2r h LEU 156 Cb 1.31 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.77 1n2r h LEU 156 CO 0.14 1.06 0.34 -0.09 0.09 0.00 0.00 178.44 179.97 1n2r h ARG 157 N 0.69 0.61 -0.83 1.13 2.43 -1.03 0.28 114.38 117.65 1n2r h ARG 157 Ca 0.10 -0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.26 1n2r h ARG 157 Cb 0.69 -0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 30.06 1n2r h ARG 157 CO 0.05 0.40 0.54 0.00 -1.51 0.00 0.00 179.97 179.46 1n2r h ALA 158 N 1.33 1.08 -0.02 2.80 0.00 -1.30 -1.13 119.26 122.01 1n2r h ALA 158 Ca 0.28 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1n2r h ALA 158 Cb 0.17 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1n2r h ALA 158 CO -0.18 0.41 -0.00 -0.92 0.00 0.00 0.00 179.25 178.56 1n2r h TYR 159 N 1.08 0.04 -0.53 0.00 3.20 -0.84 -2.19 116.97 117.73 1n2r h TYR 159 Ca 0.32 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.18 1n2r h TYR 159 Cb -0.06 -0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.18 1n2r h TYR 159 CO -0.02 0.38 0.32 -0.07 -1.64 0.00 0.00 178.16 177.13 1n2r h LEU 160 N -0.32 0.63 0.00 2.82 3.38 -0.25 -0.76 115.31 120.81 1n2r h LEU 160 Ca 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1n2r h LEU 160 Cb 0.37 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1n2r h LEU 160 CO 0.00 0.49 -0.49 -0.33 0.09 0.00 0.00 178.44 178.20 1n2r h GLU 161 N 0.73 0.00 0.00 1.13 5.08 -1.24 -3.34 114.58 116.94 1n2r h GLU 161 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1n2r h GLU 161 Cb -0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1n2r h GLU 161 CO -0.04 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.38 1n2r n GLY 162 N 1.31 0.50 0.37 -3.84 0.00 -0.82 -4.73 105.19 97.98 1n2r n GLY 162 Ca 0.04 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.23 1n2r n GLY 162 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1n2r h LEU 163 N 0.00 0.62 0.61 0.99 5.85 -1.68 0.96 115.31 122.66 1n2r h LEU 163 Ca 0.00 0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 1n2r h LEU 163 Cb 0.00 -0.01 0.01 0.00 0.37 0.00 0.00 40.66 41.02 1n2r h LEU 163 CO 0.00 0.18 -0.29 0.00 -0.34 0.00 0.00 178.44 177.98 1n2r h VAL 165 N -0.86 1.37 -0.25 0.00 -1.51 -1.58 -2.04 116.25 111.37 1n2r h VAL 165 Ca -0.08 -1.82 -0.04 0.00 -1.23 0.00 0.00 66.70 63.53 1n2r h VAL 165 Cb 0.64 1.91 -0.01 0.00 -2.13 0.00 0.00 31.29 31.70 1n2r h VAL 165 CO 0.14 0.53 -0.00 -0.33 -1.23 0.00 0.00 177.57 176.68 1n2r h GLU 166 N 0.14 0.44 -0.42 5.19 5.08 -0.72 -0.84 114.58 123.45 1n2r h GLU 166 Ca 0.00 -0.14 -0.13 0.00 -1.00 0.00 0.00 59.36 58.09 1n2r h GLU 166 Cb 0.99 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 1n2r h GLU 166 CO 0.08 0.62 -0.25 0.66 -1.00 0.00 0.00 179.01 179.12 1n2r h SER 167 N 0.22 0.95 -0.82 1.42 4.64 -0.94 -2.17 113.55 116.85 1n2r h SER 167 Ca 0.07 -0.42 -0.00 0.00 -0.47 0.00 0.00 61.79 60.97 1n2r h SER 167 Cb 0.42 -0.26 -0.04 0.00 -0.31 0.00 0.00 62.40 62.21 1n2r h SER 167 CO 0.01 1.17 0.50 0.25 -0.87 0.00 0.00 176.83 177.89 1n2r h LEU 168 N 0.74 0.98 -0.61 5.97 5.85 -1.33 0.12 115.31 127.03 1n2r h LEU 168 Ca 0.09 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.77 1n2r h LEU 168 Cb 0.83 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.58 1n2r h LEU 168 CO 0.07 0.75 0.38 -0.09 -0.34 0.00 0.00 178.44 179.21 1n2r h ARG 169 N 1.12 0.74 -0.43 1.25 2.43 -0.96 -0.37 114.38 118.16 1n2r h ARG 169 Ca 0.29 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.35 1n2r h ARG 169 Cb -0.05 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.32 1n2r h ARG 169 CO -0.06 0.49 -0.01 -0.09 -1.51 0.00 0.00 179.97 178.79 1n2r h ARG 170 N 0.76 0.76 -0.60 0.20 2.43 -0.73 -2.72 114.38 114.48 1n2r h ARG 170 Ca 0.24 -0.24 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 1n2r h ARG 170 Cb 0.00 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.46 1n2r h ARG 170 CO -0.09 0.83 0.21 1.88 -1.51 0.00 0.00 179.97 181.29 1n2r h TYR 171 N 0.59 0.91 -0.29 2.20 0.05 -0.52 -0.99 116.97 118.92 1n2r h TYR 171 Ca 0.12 -0.07 -0.06 0.00 0.05 0.00 0.00 58.73 58.77 1n2r h TYR 171 Cb 0.50 -0.27 -0.02 0.00 1.01 0.00 0.00 36.73 37.95 1n2r h TYR 171 CO 0.04 0.72 -0.08 -0.07 -1.05 0.00 0.00 178.16 177.72 1n2r h LEU 172 N 0.87 0.45 0.03 3.88 3.38 -0.94 0.40 115.31 123.38 1n2r h LEU 172 Ca 0.20 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1n2r h LEU 172 Cb 0.22 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1n2r h LEU 172 CO -0.01 0.58 -0.01 -0.08 0.09 0.00 0.00 178.44 179.01 1n2r h GLU 173 N 0.45 -0.04 -0.34 1.13 4.57 -1.09 -0.48 114.58 118.78 1n2r h GLU 173 Ca 0.09 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.25 1n2r h GLU 173 Cb 0.42 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.00 1n2r h GLU 173 CO 0.02 0.57 0.11 -0.91 -1.18 0.00 0.00 179.01 177.62 1n2r h ASN 174 N -0.68 0.44 -0.43 1.04 2.35 -1.11 -2.72 115.58 114.47 1n2r h ASN 174 Ca -0.00 -0.05 -0.10 0.00 -0.55 0.00 0.00 56.30 55.60 1n2r h ASN 174 Cb 0.62 -0.11 -0.06 0.00 0.05 0.00 0.00 38.32 38.82 1n2r h ASN 174 CO 0.01 0.42 0.06 0.61 -1.65 0.00 0.00 177.43 176.88 1n2r n GLY 175 N -1.18 4.10 0.41 2.83 0.00 0.12 -4.71 105.19 106.76 1n2r n GLY 175 Ca 0.02 -1.07 0.23 0.00 0.00 0.00 0.00 46.02 45.20 1n2r n GLY 175 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1n2r h LYS 176 N 1.93 0.00 -0.07 1.61 2.10 -0.74 0.23 116.57 121.63 1n2r h LYS 176 Ca 0.13 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.77 1n2r h LYS 176 Cb 1.77 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 33.10 1n2r h LYS 176 CO 0.42 0.00 -0.00 1.49 -2.00 0.00 0.00 179.45 179.36 1n2r h GLU 177 N 0.00 0.10 0.00 0.07 4.81 -1.85 -2.89 114.58 114.82 1n2r h GLU 177 Ca 0.29 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.45 1n2r h GLU 177 Cb 1.28 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.63 1n2r h GLU 177 CO -0.00 0.12 -1.21 0.25 -0.73 0.00 0.00 179.01 177.43 1n2r n THR 178 N -4.47 0.21 0.21 0.32 -2.24 -0.32 -4.48 114.28 103.52 1n2r n THR 178 Ca -0.02 -0.06 0.06 0.00 -2.27 0.00 0.00 64.05 61.77 1n2r n THR 178 Cb 0.13 -1.46 0.56 0.00 -2.10 0.00 0.00 70.33 67.46 1n2r n THR 178 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1n2r h LEU 179 N -0.12 0.07 -3.48 3.22 3.38 -0.77 -2.40 115.31 115.20 1n2r h LEU 179 Ca -0.10 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 1n2r h LEU 179 Cb 1.09 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.79 1n2r h LEU 179 CO -0.05 0.11 0.04 0.00 0.09 0.00 0.00 178.44 178.63 1n2r n GLN 180 N -4.46 3.83 -4.12 1.13 6.02 -1.09 -4.89 117.38 113.81 1n2r n GLN 180 Ca -0.02 -3.04 -0.33 0.00 -0.01 0.00 0.00 57.00 53.60 1n2r n GLN 180 Cb 0.14 -2.09 -0.16 0.00 1.02 0.00 0.00 30.24 29.15 1n2r n GLN 180 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1n2r s ARG 181 N -2.86 3.01 -0.14 -1.09 3.52 -0.90 -4.96 118.95 115.53 1n2r s ARG 181 Ca 0.50 -0.82 -0.12 0.00 -0.13 0.00 0.00 55.73 55.16 1n2r s ARG 181 Cb 0.39 -2.59 -0.05 0.00 -1.56 0.00 0.00 34.95 31.15 1n2r s ARG 181 CO 0.12 -0.21 0.24 0.00 -0.81 0.00 0.00 175.30 174.65 1n2r s ALA 182 N 1.29 3.69 -0.29 6.12 0.00 -1.26 -4.79 121.76 126.52 1n2r s ALA 182 Ca 0.05 -0.51 -0.09 0.00 0.00 0.00 0.00 51.96 51.41 1n2r s ALA 182 Cb -0.13 -2.26 -0.02 0.00 0.00 0.00 0.00 23.12 20.72 1n2r s ALA 182 CO -0.12 0.27 0.14 -0.51 0.00 0.00 0.00 175.76 175.53 1n2r s ASP 183 N -0.08 5.50 0.69 0.00 1.01 0.63 -4.85 116.67 119.57 1n2r s ASP 183 Ca 0.15 -0.40 -0.14 0.00 0.71 0.00 0.00 52.55 52.87 1n2r s ASP 183 Cb -0.13 -1.99 0.02 0.00 1.01 0.00 0.00 42.92 41.83 1n2r s ASP 183 CO 0.04 -0.14 1.13 -2.16 0.21 0.00 0.00 175.17 174.24 1n2r s PRO 184 N 1.63 2.55 0.39 8.23 0.04 -1.26 -1.51 135.00 145.07 1n2r s PRO 184 Ca 0.05 1.44 -0.24 0.00 0.04 0.00 0.00 61.00 62.29 1n2r s PRO 184 Cb -0.16 -1.91 -0.09 0.00 0.04 0.00 0.00 34.50 32.37 1n2r s PRO 184 CO 0.06 -1.45 1.02 -1.25 0.04 0.00 0.00 177.00 175.42 1n2r s PRO 185 N -4.17 4.22 -0.17 0.56 0.04 -1.26 -4.36 135.00 129.86 1n2r s PRO 185 Ca 0.68 1.43 -0.15 0.00 0.04 0.00 0.00 61.00 63.00 1n2r s PRO 185 Cb -0.22 -2.52 -0.04 0.00 0.04 0.00 0.00 34.50 31.76 1n2r s PRO 185 CO 0.44 -0.07 0.34 0.15 0.04 0.00 0.00 177.00 177.90 1n2r s LYS 186 N -2.54 4.23 0.10 4.56 1.02 0.39 -4.83 119.74 122.68 1n2r s LYS 186 Ca 0.57 0.14 0.08 0.00 0.02 0.00 0.00 55.97 56.79 1n2r s LYS 186 Cb -0.20 -3.47 -0.03 0.00 -0.52 0.00 0.00 37.83 33.61 1n2r s LYS 186 CO 0.25 0.13 -0.20 0.95 -0.92 0.00 0.00 175.35 175.56 1n2r s THR 187 N 0.78 1.65 -0.01 2.17 -4.23 -1.26 -0.87 115.64 113.86 1n2r s THR 187 Ca 0.18 -1.54 -0.28 0.00 -1.18 0.00 0.00 61.69 58.86 1n2r s THR 187 Cb -0.14 -1.52 0.09 0.00 1.34 0.00 0.00 72.50 72.28 1n2r s THR 187 CO 0.06 -0.10 0.80 -1.38 -0.54 0.00 0.00 174.62 173.46 1n2r s HIS 188 N -1.24 -0.47 -0.13 3.99 -3.43 -1.12 -5.00 115.29 107.89 1n2r s HIS 188 Ca 0.06 0.56 -0.00 0.00 -0.80 0.00 0.00 55.06 54.88 1n2r s HIS 188 Cb -0.10 0.49 -0.02 0.00 -1.43 0.00 0.00 32.58 31.53 1n2r s HIS 188 CO 0.04 -0.58 -0.13 0.08 -2.00 0.00 0.00 174.74 172.15 1n2r s VAL 189 N -2.34 3.07 0.18 -5.38 1.01 -1.26 -0.79 120.40 114.90 1n2r s VAL 189 Ca -0.01 -0.66 0.05 0.00 0.00 0.00 0.00 61.98 61.36 1n2r s VAL 189 Cb -0.01 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.05 1n2r s VAL 189 CO -0.03 0.53 0.18 0.42 0.00 0.00 0.00 175.10 176.20 1n2r s THR 190 N 0.31 4.64 -0.17 3.92 -4.23 0.05 -4.69 115.64 115.47 1n2r s THR 190 Ca -0.10 -1.08 0.01 0.00 -1.18 0.00 0.00 61.69 59.34 1n2r s THR 190 Cb -0.16 -3.40 0.03 0.00 1.34 0.00 0.00 72.50 70.30 1n2r s THR 190 CO 0.06 -0.16 -0.15 -2.28 -0.54 0.00 0.00 174.62 171.54 1n2r s HIS 191 N -1.83 2.46 -0.26 3.99 2.46 -1.26 -1.59 115.29 119.26 1n2r s HIS 191 Ca 0.32 -1.47 -0.01 0.00 0.47 0.00 0.00 55.06 54.38 1n2r s HIS 191 Cb -0.10 -1.73 0.08 0.00 -0.13 0.00 0.00 32.58 30.71 1n2r s HIS 191 CO 0.25 -0.74 0.05 -1.01 -2.47 0.00 0.00 174.74 170.82 1n2r s HIS 192 N 1.39 1.78 0.22 3.88 3.76 0.58 -4.96 115.29 121.93 1n2r s HIS 192 Ca 0.04 -1.57 -0.31 0.00 -0.15 0.00 0.00 55.06 53.06 1n2r s HIS 192 Cb -0.14 -1.57 -0.11 0.00 1.11 0.00 0.00 32.58 31.88 1n2r s HIS 192 CO -0.11 -0.79 1.60 -2.14 -0.85 0.00 0.00 174.74 172.45 1n2r s PRO 193 N 1.60 4.18 -0.25 8.40 0.02 -1.26 0.40 135.00 148.08 1n2r s PRO 193 Ca 0.04 2.47 -0.16 0.00 0.02 0.00 0.00 61.00 63.37 1n2r s PRO 193 Cb -0.18 -3.09 -0.13 0.00 0.02 0.00 0.00 34.50 31.12 1n2r s PRO 193 CO -0.16 -0.62 -0.20 -0.89 -0.33 0.00 0.00 177.00 174.80 1n2r n ILE 194 N 3.26 1.53 -2.70 2.83 2.08 -0.80 -4.86 119.36 120.70 1n2r n ILE 194 Ca 0.12 -0.25 0.00 0.00 0.56 0.00 0.00 62.75 63.18 1n2r n ILE 194 Cb 0.38 -1.96 0.00 0.00 -0.75 0.00 0.00 39.64 37.31 1n2r n ILE 194 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57 1n2r n SER 195 N -4.32 0.04 -0.09 4.38 3.41 -0.92 -5.02 113.62 111.11 1n2r n SER 195 Ca -0.46 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.27 1n2r n SER 195 Cb 0.80 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.89 1n2r n SER 195 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1n2r n ASP 196 N 0.00 0.87 -0.02 4.04 8.00 -1.26 -4.24 116.55 123.94 1n2r n ASP 196 Ca 0.00 -0.69 0.03 0.00 0.71 0.00 0.00 54.79 54.84 1n2r n ASP 196 Cb 0.00 0.47 -0.11 0.00 -0.02 0.00 0.00 41.12 41.46 1n2r n ASP 196 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1n2r n HIS 197 N -1.22 0.00 -4.00 1.24 8.25 -1.26 -4.75 115.22 113.48 1n2r n HIS 197 Ca 0.06 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.44 1n2r n HIS 197 Cb 0.35 -0.42 -0.10 0.00 1.12 0.00 0.00 29.99 30.94 1n2r n HIS 197 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1n2r s GLU 198 N -2.78 0.43 0.13 -0.41 2.02 -1.26 -0.67 118.70 116.15 1n2r s GLU 198 Ca -0.06 -0.77 0.02 0.00 0.02 0.00 0.00 54.97 54.19 1n2r s GLU 198 Cb 0.08 0.16 -0.04 0.00 0.10 0.00 0.00 34.13 34.42 1n2r s GLU 198 CO 0.57 -0.08 -0.06 0.14 0.02 0.00 0.00 175.26 175.85 1n2r s VAL 199 N -2.23 0.82 -0.22 2.63 -7.23 0.14 -1.91 120.40 112.41 1n2r s VAL 199 Ca -0.09 -1.98 -0.06 0.00 -1.81 0.00 0.00 61.98 58.04 1n2r s VAL 199 Cb -0.04 -1.82 -0.03 0.00 0.56 0.00 0.00 36.38 35.05 1n2r s VAL 199 CO -0.04 -0.76 0.04 -0.89 -0.31 0.00 0.00 175.10 173.15 1n2r s THR 200 N -3.55 4.29 -0.22 5.32 2.01 0.16 -0.04 115.64 123.62 1n2r s THR 200 Ca 0.16 -0.19 -0.07 0.00 0.31 0.00 0.00 61.69 61.90 1n2r s THR 200 Cb 0.05 -2.97 -0.03 0.00 0.01 0.00 0.00 72.50 69.56 1n2r s THR 200 CO -0.02 0.40 0.05 -0.76 -0.69 0.00 0.00 174.62 173.60 1n2r s LEU 201 N 1.10 3.48 -0.18 4.42 1.43 -0.46 -0.31 118.68 128.16 1n2r s LEU 201 Ca 0.03 -0.14 0.01 0.00 -1.03 0.00 0.00 54.13 53.01 1n2r s LEU 201 Cb -0.14 -1.91 0.02 0.00 0.03 0.00 0.00 46.19 44.19 1n2r s LEU 201 CO 0.03 0.04 -0.20 -0.60 0.23 0.00 0.00 176.35 175.85 1n2r s ARG 202 N 1.16 2.98 -0.27 1.70 3.52 -0.62 -1.68 118.95 125.74 1n2r s ARG 202 Ca 0.04 -0.83 -0.16 0.00 -0.13 0.00 0.00 55.73 54.65 1n2r s ARG 202 Cb -0.14 -2.56 -0.03 0.00 -1.56 0.00 0.00 34.95 30.66 1n2r s ARG 202 CO 0.03 -0.20 0.44 0.00 -0.81 0.00 0.00 175.30 174.75 1n2r s TRP 204 N 2.18 3.28 -0.13 0.00 0.52 0.03 -1.32 118.94 123.49 1n2r s TRP 204 Ca 0.18 0.26 -0.00 0.00 0.02 0.00 0.00 56.10 56.55 1n2r s TRP 204 Cb -0.16 -1.80 0.03 0.00 -1.15 0.00 0.00 33.47 30.39 1n2r s TRP 204 CO 0.10 0.55 -0.08 0.00 0.02 0.00 0.00 176.95 177.54 1n2r s ALA 205 N -1.01 1.41 0.11 0.98 0.00 0.05 -2.81 121.76 120.50 1n2r s ALA 205 Ca 0.16 -0.65 0.05 0.00 0.00 0.00 0.00 51.96 51.53 1n2r s ALA 205 Cb -0.12 -0.98 -0.04 0.00 0.00 0.00 0.00 23.12 21.99 1n2r s ALA 205 CO 0.06 -0.50 -0.13 -0.51 0.00 0.00 0.00 175.76 174.68 1n2r s LEU 206 N 1.67 2.39 -1.72 0.00 1.43 -0.05 -1.43 118.68 120.98 1n2r s LEU 206 Ca 0.04 -0.80 0.00 0.00 -1.03 0.00 0.00 54.13 52.34 1n2r s LEU 206 Cb -0.13 -0.50 0.00 0.00 0.03 0.00 0.00 46.19 45.59 1n2r s LEU 206 CO -0.08 -0.16 0.00 0.61 0.23 0.00 0.00 176.35 176.94 1n2r n GLY 207 N 0.59 -0.40 3.95 -3.19 0.00 -0.99 -0.46 105.19 104.69 1n2r n GLY 207 Ca -0.16 -0.05 -0.24 0.00 0.00 0.00 0.00 46.02 45.58 1n2r n GLY 207 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1n2r s PHE 208 N -2.99 3.47 -0.23 1.61 -0.71 -1.10 -4.68 117.98 113.34 1n2r s PHE 208 Ca 0.00 0.09 -0.16 0.00 -1.04 0.00 0.00 56.93 55.82 1n2r s PHE 208 Cb 0.00 -1.66 0.07 0.00 -1.21 0.00 0.00 43.02 40.22 1n2r s PHE 208 CO 0.00 0.44 0.58 -0.47 -1.34 0.00 0.00 175.22 174.43 1n2r s TYR 209 N -1.91 -0.80 1.01 3.49 6.14 -0.57 -0.31 117.35 124.40 1n2r s TYR 209 Ca 0.35 1.72 -0.17 0.00 0.64 0.00 0.00 57.07 59.62 1n2r s TYR 209 Cb -0.10 0.39 0.25 0.00 0.42 0.00 0.00 41.96 42.92 1n2r s TYR 209 CO 0.29 -0.40 0.97 -0.35 0.64 0.00 0.00 175.55 176.69 1n2r n PRO 210 N 3.73 -2.53 0.17 4.97 -0.04 -1.26 -0.27 135.00 139.78 1n2r n PRO 210 Ca -0.19 -1.53 0.02 0.00 -0.04 0.00 0.00 63.50 61.76 1n2r n PRO 210 Cb 0.57 -1.35 0.34 0.00 -0.04 0.00 0.00 33.50 33.01 1n2r n PRO 210 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1n2r h ALA 211 N -2.49 1.35 -2.24 0.55 0.00 -1.94 -3.45 119.26 111.04 1n2r h ALA 211 Ca -0.35 -0.35 -0.58 0.00 0.00 0.00 0.00 54.91 53.62 1n2r h ALA 211 Cb 1.06 -0.07 0.05 0.00 0.00 0.00 0.00 17.79 18.83 1n2r h ALA 211 CO 0.23 0.49 0.91 -1.91 0.00 0.00 0.00 179.25 178.97 1n2r n GLU 212 N -4.08 2.24 -3.48 0.00 4.07 -1.26 -4.96 120.64 113.16 1n2r n GLU 212 Ca -0.02 0.81 -0.12 0.00 -0.06 0.00 0.00 57.16 57.77 1n2r n GLU 212 Cb 0.42 -2.62 -0.03 0.00 -0.06 0.00 0.00 31.44 29.15 1n2r n GLU 212 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 1n2r s ILE 213 N 1.93 0.00 -0.08 6.31 2.07 -1.26 -4.64 121.20 125.53 1n2r s ILE 213 Ca 0.83 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 60.07 1n2r s ILE 213 Cb -0.66 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 40.95 1n2r s ILE 213 CO 0.41 0.00 -0.08 -0.89 -1.91 0.00 0.00 174.94 172.47 1n2r s THR 214 N -2.72 0.94 -0.12 4.00 2.01 -0.44 -4.99 115.64 114.32 1n2r s THR 214 Ca -0.01 -0.30 0.02 0.00 0.31 0.00 0.00 61.69 61.72 1n2r s THR 214 Cb -0.01 -0.93 0.01 0.00 0.01 0.00 0.00 72.50 71.58 1n2r s THR 214 CO -0.05 0.33 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.27 1n2r s LEU 215 N 1.26 1.88 0.01 4.42 1.43 -1.26 -1.50 118.68 124.92 1n2r s LEU 215 Ca -0.04 -0.50 -0.01 0.00 -1.03 0.00 0.00 54.13 52.55 1n2r s LEU 215 Cb -0.14 -1.23 -0.01 0.00 0.03 0.00 0.00 46.19 44.84 1n2r s LEU 215 CO -0.03 0.05 0.01 0.42 0.23 0.00 0.00 176.35 177.03 1n2r s THR 216 N 0.88 0.09 -0.08 5.49 -4.23 -0.62 -4.97 115.64 112.19 1n2r s THR 216 Ca -0.08 -0.70 0.01 0.00 -1.18 0.00 0.00 61.69 59.74 1n2r s THR 216 Cb -0.15 -0.25 -0.03 0.00 1.34 0.00 0.00 72.50 73.41 1n2r s THR 216 CO -0.01 -0.39 -0.09 0.26 -0.54 0.00 0.00 174.62 173.85 1n2r s TRP 217 N -1.17 2.87 0.08 3.99 0.52 -1.26 -0.09 118.94 123.88 1n2r s TRP 217 Ca -0.13 -0.15 0.10 0.00 0.02 0.00 0.00 56.10 55.94 1n2r s TRP 217 Cb -0.08 -1.74 -0.03 0.00 -1.15 0.00 0.00 33.47 30.47 1n2r s TRP 217 CO -0.00 0.17 -0.26 -0.65 0.02 0.00 0.00 176.95 176.23 1n2r s GLN 218 N -0.48 1.59 -0.23 4.98 -0.21 0.03 -0.57 119.66 124.78 1n2r s GLN 218 Ca 0.07 -1.20 0.02 0.00 0.02 0.00 0.00 55.36 54.26 1n2r s GLN 218 Cb -0.12 -1.90 0.05 0.00 1.00 0.00 0.00 33.01 32.04 1n2r s GLN 218 CO 0.02 0.47 -0.09 0.50 -2.12 0.00 0.00 175.29 174.08 1n2r s ARG 219 N -1.59 1.95 -1.47 2.91 3.52 0.11 -1.24 118.95 123.14 1n2r s ARG 219 Ca 0.12 -1.07 -0.07 0.00 -0.13 0.00 0.00 55.73 54.58 1n2r s ARG 219 Cb -0.10 -2.65 0.01 0.00 -1.56 0.00 0.00 34.95 30.65 1n2r s ARG 219 CO 0.04 -0.54 0.88 -0.25 -0.81 0.00 0.00 175.30 174.62 1n2r n ASP 220 N 4.59 -6.24 0.00 -2.12 8.00 0.52 -1.62 116.55 119.68 1n2r n ASP 220 Ca -0.14 -0.41 0.00 0.00 0.71 0.00 0.00 54.79 54.95 1n2r n ASP 220 Cb 0.44 -4.98 0.00 0.00 -0.02 0.00 0.00 41.12 36.56 1n2r n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1n2r n GLY 221 N -1.75 0.66 3.48 0.44 0.00 -1.26 -5.03 105.19 101.72 1n2r n GLY 221 Ca -0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 1n2r n GLY 221 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1n2r s GLU 222 N -0.00 3.41 0.47 1.61 0.41 -0.64 -5.03 118.70 118.92 1n2r s GLU 222 Ca 0.00 -0.58 -0.24 0.00 -0.41 0.00 0.00 54.97 53.74 1n2r s GLU 222 Cb 0.00 -2.76 -0.08 0.00 -1.78 0.00 0.00 34.13 29.51 1n2r s GLU 222 CO 0.00 0.32 1.39 -0.25 -0.49 0.00 0.00 175.26 176.23 1n2r n ASP 223 N 3.27 3.06 -1.80 -0.19 8.00 -1.26 0.05 116.55 127.69 1n2r n ASP 223 Ca -0.18 1.08 -0.20 0.00 0.71 0.00 0.00 54.79 56.21 1n2r n ASP 223 Cb 0.53 -1.58 0.08 0.00 -0.02 0.00 0.00 41.12 40.12 1n2r n ASP 223 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1n2r n GLN 224 N -0.37 2.92 -0.18 -1.24 1.13 0.27 -4.81 117.38 115.10 1n2r n GLN 224 Ca 0.07 -3.74 -0.06 0.00 -1.94 0.00 0.00 57.00 51.33 1n2r n GLN 224 Cb 0.42 -2.14 -0.05 0.00 0.11 0.00 0.00 30.24 28.58 1n2r n GLN 224 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 1n2r h THR 225 N 1.63 0.00 0.00 5.09 2.02 -1.92 0.52 112.91 120.25 1n2r h THR 225 Ca 0.36 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.54 1n2r h THR 225 Cb 1.39 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 1n2r h THR 225 CO 0.79 0.00 0.00 0.00 0.37 0.00 0.00 175.52 176.68 1n2r n GLN 226 N -4.08 0.03 -0.12 6.66 6.02 -1.26 -1.81 117.38 122.82 1n2r n GLN 226 Ca 0.00 0.34 0.09 0.00 -0.01 0.00 0.00 57.00 57.42 1n2r n GLN 226 Cb 0.13 -1.50 0.14 0.00 1.02 0.00 0.00 30.24 30.03 1n2r n GLN 226 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1n2r n ASP 227 N -1.38 2.23 -4.21 1.08 8.00 0.17 -5.02 116.55 117.42 1n2r n ASP 227 Ca 0.01 -3.10 -0.31 0.00 0.71 0.00 0.00 54.79 52.10 1n2r n ASP 227 Cb 0.03 -0.43 -0.17 0.00 -0.02 0.00 0.00 41.12 40.54 1n2r n ASP 227 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1n2r s THR 228 N -2.80 1.97 -0.39 -3.53 2.01 -0.21 -4.59 115.64 108.09 1n2r s THR 228 Ca 0.31 -0.97 -0.20 0.00 0.31 0.00 0.00 61.69 61.14 1n2r s THR 228 Cb 0.28 -1.70 0.01 0.00 0.01 0.00 0.00 72.50 71.10 1n2r s THR 228 CO 0.02 0.54 0.63 -0.70 -0.69 0.00 0.00 174.62 174.42 1n2r s GLU 229 N 0.28 3.51 -0.22 4.92 2.12 0.69 -4.91 118.70 125.10 1n2r s GLU 229 Ca -0.16 -0.14 -0.01 0.00 0.36 0.00 0.00 54.97 55.03 1n2r s GLU 229 Cb -0.17 -3.87 0.02 0.00 0.26 0.00 0.00 34.13 30.37 1n2r s GLU 229 CO 0.08 -0.85 -0.12 -1.17 -0.54 0.00 0.00 175.26 172.67 1n2r s LEU 230 N 2.74 2.77 0.47 2.70 2.96 -1.26 -0.35 118.68 128.70 1n2r s LEU 230 Ca 0.23 -0.76 -0.13 0.00 -0.22 0.00 0.00 54.13 53.26 1n2r s LEU 230 Cb -0.14 -1.60 -0.07 0.00 0.50 0.00 0.00 46.19 44.89 1n2r s LEU 230 CO 0.17 -0.07 0.88 0.68 -1.32 0.00 0.00 176.35 176.68 1n2r s VAL 231 N 1.31 4.69 0.34 1.68 -7.23 -1.08 -5.02 120.40 115.10 1n2r s VAL 231 Ca 0.02 0.85 -0.29 0.00 -1.81 0.00 0.00 61.98 60.75 1n2r s VAL 231 Cb -0.15 -3.75 -0.10 0.00 0.56 0.00 0.00 36.38 32.94 1n2r s VAL 231 CO -0.08 -0.66 1.36 -0.70 -0.31 0.00 0.00 175.10 174.71 1n2r s GLU 232 N -4.11 4.29 0.27 4.82 2.12 -1.26 -4.59 118.70 120.24 1n2r s GLU 232 Ca 0.54 2.31 -0.30 0.00 0.36 0.00 0.00 54.97 57.87 1n2r s GLU 232 Cb -0.10 -3.05 -0.12 0.00 0.26 0.00 0.00 34.13 31.12 1n2r s GLU 232 CO 0.34 -0.28 1.54 2.41 -0.54 0.00 0.00 175.26 178.73 1n2r n THR 233 N 0.79 0.97 -4.22 -1.70 -1.04 -1.26 -4.85 114.28 102.96 1n2r n THR 233 Ca 0.01 -0.24 -0.21 0.00 -2.04 0.00 0.00 64.05 61.57 1n2r n THR 233 Cb 0.41 -1.80 -0.12 0.00 -1.82 0.00 0.00 70.33 67.00 1n2r n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1n2r s ARG 234 N -0.42 0.94 0.20 -2.82 1.70 -0.31 -4.95 118.95 113.29 1n2r s ARG 234 Ca 0.66 -1.03 -0.30 0.00 -0.47 0.00 0.00 55.73 54.58 1n2r s ARG 234 Cb -0.55 -1.06 -0.08 0.00 -0.57 0.00 0.00 34.95 32.70 1n2r s ARG 234 CO 0.48 0.24 0.97 -1.25 -1.08 0.00 0.00 175.30 174.67 1n2r s PRO 235 N -1.79 4.77 0.17 3.89 0.04 -1.26 -0.40 135.00 140.42 1n2r s PRO 235 Ca 0.01 1.52 0.11 0.00 0.04 0.00 0.00 61.00 62.69 1n2r s PRO 235 Cb -0.10 -3.30 -0.10 0.00 0.04 0.00 0.00 34.50 31.04 1n2r s PRO 235 CO 0.03 0.37 1.26 0.00 0.04 0.00 0.00 177.00 178.70 1n2r h ALA 236 N 4.63 0.53 0.00 8.56 0.00 -1.26 -3.47 119.26 128.26 1n2r h ALA 236 Ca -0.44 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 53.70 1n2r h ALA 236 Cb 1.21 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1n2r h ALA 236 CO 0.69 1.00 0.00 0.41 0.00 0.00 0.00 179.25 181.35 1n2r n GLY 237 N 1.32 0.56 0.60 0.00 0.00 -1.26 -4.94 105.19 101.48 1n2r n GLY 237 Ca -0.01 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.06 1n2r n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1n2r n ASP 238 N 0.00 2.46 0.00 1.61 5.68 -1.26 -4.93 116.55 120.11 1n2r n ASP 238 Ca 0.00 -3.46 0.00 0.00 -0.50 0.00 0.00 54.79 50.83 1n2r n ASP 238 Cb 0.00 -0.52 0.00 0.00 -1.14 0.00 0.00 41.12 39.46 1n2r n ASP 238 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 1n2r n ARG 239 N -1.12 0.00 -2.47 0.11 1.85 -1.26 -5.04 116.66 108.73 1n2r n ARG 239 Ca 0.22 0.00 -0.23 0.00 -1.00 0.00 0.00 57.85 56.83 1n2r n ARG 239 Cb 0.79 -0.36 0.06 0.00 -1.05 0.00 0.00 32.46 31.89 1n2r n ARG 239 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 1n2r s THR 240 N -2.07 2.46 0.32 8.89 -4.23 -1.26 -4.86 115.64 114.90 1n2r s THR 240 Ca 0.00 -0.51 0.06 0.00 -1.18 0.00 0.00 61.69 60.06 1n2r s THR 240 Cb 0.00 -2.96 -0.06 0.00 1.34 0.00 0.00 72.50 70.82 1n2r s THR 240 CO 0.00 0.00 -0.01 -0.36 -0.54 0.00 0.00 174.62 173.71 1n2r s PHE 241 N -2.99 2.10 0.07 3.99 0.40 0.57 -0.75 117.98 121.37 1n2r s PHE 241 Ca 0.59 -0.76 0.02 0.00 -0.60 0.00 0.00 56.93 56.18 1n2r s PHE 241 Cb -0.10 -1.31 -0.03 0.00 0.51 0.00 0.00 43.02 42.09 1n2r s PHE 241 CO 0.41 0.25 -0.07 -0.65 0.70 0.00 0.00 175.22 175.87 1n2r s GLN 242 N -3.76 0.70 -0.12 0.44 -0.21 0.47 -2.36 119.66 114.81 1n2r s GLN 242 Ca 0.33 -1.10 -0.30 0.00 0.02 0.00 0.00 55.36 54.31 1n2r s GLN 242 Cb 0.06 -0.20 0.12 0.00 1.00 0.00 0.00 33.01 33.99 1n2r s GLN 242 CO 0.14 -0.00 0.94 0.21 -2.12 0.00 0.00 175.29 174.46 1n2r s LYS 243 N -2.98 0.69 0.06 2.91 2.20 -0.51 -1.16 119.74 120.95 1n2r s LYS 243 Ca 0.03 0.07 -0.07 0.00 -0.36 0.00 0.00 55.97 55.64 1n2r s LYS 243 Cb -0.00 0.32 -0.01 0.00 -1.51 0.00 0.00 37.83 36.63 1n2r s LYS 243 CO -0.03 -0.23 0.14 1.67 -0.36 0.00 0.00 175.35 176.53 1n2r s TRP 244 N -1.52 0.19 -0.02 4.03 1.48 -1.26 -0.77 118.94 121.07 1n2r s TRP 244 Ca -0.01 -0.54 0.02 0.00 -1.06 0.00 0.00 56.10 54.50 1n2r s TRP 244 Cb -0.01 -0.12 0.00 0.00 -1.16 0.00 0.00 33.47 32.19 1n2r s TRP 244 CO 0.00 -0.44 -0.08 0.00 -4.06 0.00 0.00 176.95 172.37 1n2r s ALA 245 N -3.18 0.76 0.06 2.67 0.00 -0.44 -2.63 121.76 119.00 1n2r s ALA 245 Ca -0.00 -0.27 0.04 0.00 0.00 0.00 0.00 51.96 51.73 1n2r s ALA 245 Cb 0.02 -0.30 -0.03 0.00 0.00 0.00 0.00 23.12 22.81 1n2r s ALA 245 CO -0.07 0.11 -0.12 0.00 0.00 0.00 0.00 175.76 175.68 1n2r s ALA 246 N 0.24 1.02 0.01 0.00 0.00 0.52 -0.09 121.76 123.47 1n2r s ALA 246 Ca -0.04 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 51.03 1n2r s ALA 246 Cb -0.08 -0.08 -0.01 0.00 0.00 0.00 0.00 23.12 22.94 1n2r s ALA 246 CO 0.00 0.13 -0.03 0.54 0.00 0.00 0.00 175.76 176.41 1n2r s VAL 247 N -1.19 0.15 -0.28 0.00 0.11 -0.67 -0.22 120.40 118.29 1n2r s VAL 247 Ca -0.03 -0.57 -0.13 0.00 -2.93 0.00 0.00 61.98 58.31 1n2r s VAL 247 Cb -0.09 -0.23 -0.04 0.00 -1.53 0.00 0.00 36.38 34.49 1n2r s VAL 247 CO 0.02 -0.27 0.30 0.68 -3.33 0.00 0.00 175.10 172.50 1n2r s VAL 248 N -0.86 5.22 0.08 2.04 -7.23 -1.26 -1.35 120.40 117.04 1n2r s VAL 248 Ca -0.09 0.39 0.09 0.00 -1.81 0.00 0.00 61.98 60.57 1n2r s VAL 248 Cb -0.06 -3.64 -0.03 0.00 0.56 0.00 0.00 36.38 33.20 1n2r s VAL 248 CO -0.00 0.18 -0.25 0.68 -0.31 0.00 0.00 175.10 175.39 1n2r s VAL 249 N 1.95 2.07 0.48 1.32 -7.23 0.94 -4.91 120.40 115.02 1n2r s VAL 249 Ca 0.12 -1.51 -0.24 0.00 -1.81 0.00 0.00 61.98 58.54 1n2r s VAL 249 Cb -0.16 -1.81 -0.07 0.00 0.56 0.00 0.00 36.38 34.90 1n2r s VAL 249 CO 0.10 0.20 1.38 -2.84 -0.31 0.00 0.00 175.10 173.63 1n2r s PRO 250 N -1.60 3.54 0.29 4.82 0.02 -1.26 0.27 135.00 141.09 1n2r s PRO 250 Ca 0.11 2.30 -0.30 0.00 0.02 0.00 0.00 61.00 63.13 1n2r s PRO 250 Cb -0.10 -2.52 -0.12 0.00 0.02 0.00 0.00 34.50 31.78 1n2r s PRO 250 CO 0.04 -0.89 1.55 0.45 -0.33 0.00 0.00 177.00 177.82 1n2r n SER 251 N -0.45 3.66 0.00 2.53 2.88 0.15 -1.89 113.62 120.51 1n2r n SER 251 Ca 0.07 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.76 1n2r n SER 251 Cb 0.43 -1.57 0.00 0.00 -0.75 0.00 0.00 64.21 62.33 1n2r n SER 251 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1n2r n GLY 252 N 2.03 1.00 0.35 0.46 0.00 -1.26 -4.89 105.19 102.88 1n2r n GLY 252 Ca 0.08 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.14 1n2r n GLY 252 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1n2r n GLU 253 N -2.00 2.87 -0.00 1.61 1.02 -0.79 -4.74 120.64 118.61 1n2r n GLU 253 Ca 0.00 -1.86 0.21 0.00 -0.02 0.00 0.00 57.16 55.48 1n2r n GLU 253 Cb 0.00 -1.19 0.70 0.00 -0.02 0.00 0.00 31.44 30.93 1n2r n GLU 253 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1n2r h GLU 254 N 1.06 0.00 0.00 3.49 3.07 -1.91 -1.29 114.58 119.00 1n2r h GLU 254 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1n2r h GLU 254 Cb 0.67 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.58 1n2r h GLU 254 CO 0.01 0.00 0.00 1.04 -1.40 0.00 0.00 179.01 178.66 1n2r n GLN 255 N -4.35 0.02 0.00 2.33 1.13 -1.26 -2.50 117.38 112.75 1n2r n GLN 255 Ca 0.10 0.14 0.14 0.00 -1.94 0.00 0.00 57.00 55.44 1n2r n GLN 255 Cb 0.62 -1.52 0.64 0.00 0.11 0.00 0.00 30.24 30.09 1n2r n GLN 255 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1n2r n ARG 256 N -1.55 1.19 -4.69 -1.09 1.74 -0.49 -4.82 116.66 106.94 1n2r n ARG 256 Ca 0.05 -0.50 -0.33 0.00 -0.77 0.00 0.00 57.85 56.30 1n2r n ARG 256 Cb 0.26 -1.49 -0.13 0.00 -1.02 0.00 0.00 32.46 30.08 1n2r n ARG 256 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1n2r s TYR 257 N -2.16 2.86 0.00 -1.55 1.51 -1.04 -0.35 117.35 116.62 1n2r s TYR 257 Ca 0.37 -0.26 0.03 0.00 -1.01 0.00 0.00 57.07 56.20 1n2r s TYR 257 Cb 0.21 -1.77 -0.01 0.00 -0.11 0.00 0.00 41.96 40.28 1n2r s TYR 257 CO 0.39 0.09 -0.10 0.95 -1.11 0.00 0.00 175.55 175.77 1n2r s THR 258 N -0.27 0.75 -0.11 -0.71 -4.23 -0.37 -4.67 115.64 106.02 1n2r s THR 258 Ca 0.03 -0.50 -0.09 0.00 -1.18 0.00 0.00 61.69 59.95 1n2r s THR 258 Cb -0.13 -0.65 -0.04 0.00 1.34 0.00 0.00 72.50 73.02 1n2r s THR 258 CO 0.03 0.14 0.19 0.00 -0.54 0.00 0.00 174.62 174.44 1n2r s HIS 260 N -0.78 2.47 -0.07 0.00 3.76 0.87 -0.01 115.29 121.54 1n2r s HIS 260 Ca 0.16 -1.08 0.05 0.00 -0.15 0.00 0.00 55.06 54.03 1n2r s HIS 260 Cb -0.13 -1.67 -0.01 0.00 1.11 0.00 0.00 32.58 31.88 1n2r s HIS 260 CO 0.05 -0.47 -0.24 0.08 -0.85 0.00 0.00 174.74 173.31 1n2r s VAL 261 N 0.53 1.99 -0.08 -0.90 1.01 0.10 -1.58 120.40 121.47 1n2r s VAL 261 Ca -0.15 -1.01 0.02 0.00 0.00 0.00 0.00 61.98 60.84 1n2r s VAL 261 Cb -0.17 -1.69 0.02 0.00 0.00 0.00 0.00 36.38 34.53 1n2r s VAL 261 CO 0.05 0.55 -0.11 -1.10 0.00 0.00 0.00 175.10 174.49 1n2r s GLN 262 N 0.02 1.67 -0.13 2.72 -0.21 -0.56 -0.90 119.66 122.27 1n2r s GLN 262 Ca -0.08 -0.38 -0.21 0.00 0.02 0.00 0.00 55.36 54.71 1n2r s GLN 262 Cb -0.15 -1.46 0.05 0.00 1.00 0.00 0.00 33.01 32.45 1n2r s GLN 262 CO 0.05 -0.05 0.53 -1.58 -2.12 0.00 0.00 175.29 172.13 1n2r s HIS 263 N 0.93 -0.53 -0.07 0.91 2.46 -1.26 -1.33 115.29 116.40 1n2r s HIS 263 Ca -0.10 1.16 0.27 0.00 0.47 0.00 0.00 55.06 56.86 1n2r s HIS 263 Cb -0.15 0.23 1.39 0.00 -0.13 0.00 0.00 32.58 33.93 1n2r s HIS 263 CO 0.01 -0.38 1.82 1.05 -2.47 0.00 0.00 174.74 174.76 1n2r h GLU 264 N 4.46 0.00 -0.00 2.88 4.11 -1.95 0.11 114.58 124.19 1n2r h GLU 264 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.15 1n2r h GLU 264 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1n2r h GLU 264 CO 0.26 0.00 -0.03 0.41 0.07 0.00 0.00 179.01 179.72 1n2r n GLY 265 N -0.99 -1.06 3.42 1.06 0.00 -1.26 -4.71 105.19 101.65 1n2r n GLY 265 Ca -0.01 -0.21 -0.36 0.00 0.00 0.00 0.00 46.02 45.45 1n2r n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n2r s LEU 266 N -2.37 3.29 0.52 0.99 1.43 0.36 -4.48 118.68 118.43 1n2r s LEU 266 Ca 0.34 -0.24 0.35 0.00 -1.03 0.00 0.00 54.13 53.56 1n2r s LEU 266 Cb 0.21 -1.86 1.84 0.00 0.03 0.00 0.00 46.19 46.40 1n2r s LEU 266 CO 0.44 -0.00 2.07 1.55 0.23 0.00 0.00 176.35 180.63 1n2r h PRO 267 N 7.99 0.00 -2.44 1.29 0.13 -1.84 -3.43 132.00 133.70 1n2r h PRO 267 Ca -0.38 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.66 1n2r h PRO 267 Cb 1.17 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.09 1n2r h PRO 267 CO 0.59 0.00 -0.05 0.21 -0.23 0.00 0.00 178.00 178.53 1n2r s LYS 268 N -3.86 0.76 0.48 0.86 2.20 -1.26 -5.14 119.74 113.77 1n2r s LYS 268 Ca -0.03 0.42 -0.23 0.00 -0.36 0.00 0.00 55.97 55.77 1n2r s LYS 268 Cb 0.10 0.36 -0.08 0.00 -1.51 0.00 0.00 37.83 36.70 1n2r s LYS 268 CO 0.36 -0.17 1.22 -2.30 -0.36 0.00 0.00 175.35 174.10 1n2r n PRO 269 N 1.96 1.67 -4.09 4.03 -0.02 -1.26 -4.96 135.00 132.33 1n2r n PRO 269 Ca -0.17 0.60 -0.32 0.00 -2.02 0.00 0.00 63.50 61.60 1n2r n PRO 269 Cb 0.56 -2.36 -0.07 0.00 -0.02 0.00 0.00 33.50 31.61 1n2r n PRO 269 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1n2r s LEU 270 N -2.02 3.85 -0.13 2.45 1.43 -0.08 -4.92 118.68 119.25 1n2r s LEU 270 Ca 0.66 0.08 0.02 0.00 -1.03 0.00 0.00 54.13 53.85 1n2r s LEU 270 Cb -0.48 -2.36 0.00 0.00 0.03 0.00 0.00 46.19 43.38 1n2r s LEU 270 CO 0.54 0.23 -0.20 -0.89 0.23 0.00 0.00 176.35 176.26 1n2r s THR 271 N -1.28 2.32 0.22 5.49 2.01 -1.26 -0.72 115.64 122.43 1n2r s THR 271 Ca 0.26 -0.90 0.09 0.00 0.31 0.00 0.00 61.69 61.44 1n2r s THR 271 Cb -0.12 -1.94 -0.05 0.00 0.01 0.00 0.00 72.50 70.41 1n2r s THR 271 CO 0.17 0.54 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.72 1n2r s LEU 272 N 0.66 2.56 0.10 4.42 1.02 0.99 -4.94 118.68 123.50 1n2r s LEU 272 Ca -0.10 -1.01 -0.09 0.00 0.02 0.00 0.00 54.13 52.96 1n2r s LEU 272 Cb -0.16 -0.80 -0.00 0.00 0.02 0.00 0.00 46.19 45.25 1n2r s LEU 272 CO 0.02 -0.11 0.20 -0.13 0.02 0.00 0.00 176.35 176.36 1n2r s ARG 273 N -3.55 0.90 0.06 1.70 0.52 -1.26 -0.05 118.95 117.26 1n2r s ARG 273 Ca 0.24 -1.01 -0.31 0.00 -0.52 0.00 0.00 55.73 54.14 1n2r s ARG 273 Cb -0.02 0.35 -0.08 0.00 0.52 0.00 0.00 34.95 35.71 1n2r s ARG 273 CO 0.09 -0.29 1.67 -0.46 0.02 0.00 0.00 175.30 176.33 1n2r s TRP 274 N -3.88 2.31 -0.89 -0.53 -0.00 -1.26 -4.70 118.94 109.99 1n2r s TRP 274 Ca 0.07 0.26 -0.04 0.00 -0.00 0.00 0.00 56.10 56.39 1n2r s TRP 274 Cb 0.05 -3.98 0.22 0.00 -0.00 0.00 0.00 33.47 29.76 1n2r s TRP 274 CO -0.09 -3.98 0.78 -1.21 -0.00 0.00 0.00 176.95 172.45 1n2r s GLU 275 N 2.88 3.35 0.00 5.86 0.41 -1.26 -4.99 118.70 124.94 1n2r s GLU 275 Ca 0.75 -3.11 0.12 0.00 -0.41 0.00 0.00 54.97 52.32 1n2r s GLU 275 Cb -0.39 -4.05 0.73 0.00 -1.78 0.00 0.00 34.13 28.63 1n2r s GLU 275 CO 0.33 -1.25 1.16 -0.35 -0.49 0.00 0.00 175.26 174.66