#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n5a s PRO 2 N 0.00 4.13 0.26 1.61 0.04 -1.26 -1.76 135.00 138.02 1n5a s PRO 2 Ca 0.00 0.59 0.02 0.00 0.04 0.00 0.00 61.00 61.65 1n5a s PRO 2 Cb 0.00 -3.27 -0.05 0.00 0.04 0.00 0.00 34.50 31.22 1n5a s PRO 2 CO 0.00 0.57 0.08 -1.01 0.04 0.00 0.00 177.00 176.69 1n5a s HIS 3 N -0.80 1.59 0.16 0.56 3.76 -0.07 -4.93 115.29 115.57 1n5a s HIS 3 Ca 0.27 -1.13 -0.24 0.00 -0.15 0.00 0.00 55.06 53.80 1n5a s HIS 3 Cb -0.18 -0.95 0.06 0.00 1.11 0.00 0.00 32.58 32.62 1n5a s HIS 3 CO 0.16 -0.27 0.88 -1.54 -0.85 0.00 0.00 174.74 173.12 1n5a s SER 4 N -3.33 -0.23 -0.06 1.40 1.04 -1.26 0.85 113.70 112.10 1n5a s SER 4 Ca 0.37 -0.39 -0.11 0.00 0.48 0.00 0.00 55.95 56.31 1n5a s SER 4 Cb 0.08 0.54 0.02 0.00 0.10 0.00 0.00 66.02 66.75 1n5a s SER 4 CO 0.13 -0.97 0.26 -0.32 0.98 0.00 0.00 173.24 173.32 1n5a s MET 5 N -3.43 0.45 -0.02 4.02 1.75 -0.76 0.19 119.30 121.50 1n5a s MET 5 Ca 0.11 0.07 -0.12 0.00 -1.25 0.00 0.00 55.69 54.50 1n5a s MET 5 Cb -0.02 0.20 0.02 0.00 2.84 0.00 0.00 34.83 37.87 1n5a s MET 5 CO 0.01 -0.09 0.26 1.03 -0.65 0.00 0.00 175.02 175.58 1n5a s ARG 6 N -0.55 0.58 -0.10 4.11 1.81 0.57 -2.46 118.95 122.91 1n5a s ARG 6 Ca -0.07 -0.18 0.00 0.00 -1.72 0.00 0.00 55.73 53.77 1n5a s ARG 6 Cb -0.04 0.26 0.02 0.00 -0.45 0.00 0.00 34.95 34.74 1n5a s ARG 6 CO 0.02 -0.15 -0.09 0.71 -0.68 0.00 0.00 175.30 175.11 1n5a s TYR 7 N -1.17 1.51 -0.37 -0.53 1.51 -0.26 0.12 117.35 118.15 1n5a s TYR 7 Ca -0.12 -0.70 -0.06 0.00 -1.01 0.00 0.00 57.07 55.18 1n5a s TYR 7 Cb -0.05 -1.20 0.07 0.00 -0.11 0.00 0.00 41.96 40.66 1n5a s TYR 7 CO 0.03 -0.45 0.15 -0.06 -1.11 0.00 0.00 175.55 174.11 1n5a s PHE 8 N 1.37 3.35 -0.11 2.71 0.40 0.93 -1.99 117.98 124.64 1n5a s PHE 8 Ca -0.01 -1.74 -0.07 0.00 -0.60 0.00 0.00 56.93 54.51 1n5a s PHE 8 Cb -0.14 -2.64 -0.04 0.00 0.51 0.00 0.00 43.02 40.71 1n5a s PHE 8 CO -0.05 -0.83 0.13 -1.21 0.70 0.00 0.00 175.22 173.97 1n5a s GLU 9 N 1.33 3.42 0.01 0.44 2.02 0.48 -1.34 118.70 125.05 1n5a s GLU 9 Ca 0.01 -0.15 0.00 0.00 0.02 0.00 0.00 54.97 54.85 1n5a s GLU 9 Cb -0.21 -3.17 -0.01 0.00 0.10 0.00 0.00 34.13 30.84 1n5a s GLU 9 CO 0.00 0.77 -0.02 0.99 0.02 0.00 0.00 175.26 177.03 1n5a s THR 10 N -1.03 0.09 -0.05 3.63 2.01 0.63 -0.23 115.64 120.69 1n5a s THR 10 Ca 0.15 -0.32 -0.00 0.00 0.31 0.00 0.00 61.69 61.83 1n5a s THR 10 Cb -0.12 -0.13 0.03 0.00 0.01 0.00 0.00 72.50 72.28 1n5a s THR 10 CO 0.04 -0.15 -0.01 0.00 -0.69 0.00 0.00 174.62 173.82 1n5a s ALA 11 N -0.48 0.54 -0.08 7.40 0.00 -0.04 -0.41 121.76 128.69 1n5a s ALA 11 Ca -0.05 0.01 0.04 0.00 0.00 0.00 0.00 51.96 51.96 1n5a s ALA 11 Cb -0.03 -0.50 -0.01 0.00 0.00 0.00 0.00 23.12 22.58 1n5a s ALA 11 CO -0.00 -0.20 -0.22 0.08 0.00 0.00 0.00 175.76 175.42 1n5a s VAL 12 N 1.34 2.28 -0.14 0.00 1.01 -0.52 -1.56 120.40 122.81 1n5a s VAL 12 Ca -0.05 -0.97 -0.02 0.00 0.00 0.00 0.00 61.98 60.94 1n5a s VAL 12 Cb -0.13 -1.87 -0.02 0.00 0.00 0.00 0.00 36.38 34.36 1n5a s VAL 12 CO -0.02 0.56 -0.07 -0.94 0.00 0.00 0.00 175.10 174.62 1n5a s SER 13 N 0.07 4.50 0.27 3.32 1.04 -0.07 -1.55 113.70 121.27 1n5a s SER 13 Ca -0.09 -0.20 0.10 0.00 0.48 0.00 0.00 55.95 56.23 1n5a s SER 13 Cb -0.15 -1.70 -0.05 0.00 0.10 0.00 0.00 66.02 64.21 1n5a s SER 13 CO 0.06 0.17 -0.15 -0.60 0.98 0.00 0.00 173.24 173.70 1n5a s ARG 14 N 0.32 1.58 0.22 4.02 3.52 -1.26 -1.48 118.95 125.87 1n5a s ARG 14 Ca -0.06 -1.75 0.09 0.00 -0.13 0.00 0.00 55.73 53.88 1n5a s ARG 14 Cb -0.15 -1.49 0.47 0.00 -1.56 0.00 0.00 34.95 32.22 1n5a s ARG 14 CO 0.04 0.22 1.12 -2.30 -0.81 0.00 0.00 175.30 173.57 1n5a n PRO 15 N -0.57 0.06 0.00 5.12 -0.02 -1.25 -4.36 135.00 133.97 1n5a n PRO 15 Ca -0.06 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 1n5a n PRO 15 Cb 0.61 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 32.11 1n5a n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n5a n GLY 16 N -1.28 -1.59 1.22 -1.23 0.00 -1.26 -4.93 105.19 96.13 1n5a n GLY 16 Ca -0.01 0.14 -0.08 0.00 0.00 0.00 0.00 46.02 46.07 1n5a n GLY 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1n5a n LEU 17 N -0.22 0.00 0.02 0.99 4.77 -1.26 -5.01 117.00 116.29 1n5a n LEU 17 Ca 0.00 -0.90 0.14 0.00 -0.03 0.00 0.00 56.01 55.22 1n5a n LEU 17 Cb 0.00 -0.03 0.57 0.00 -2.33 0.00 0.00 43.42 41.63 1n5a n LEU 17 CO 0.00 -0.39 0.94 1.21 -1.33 0.00 0.00 177.39 177.82 1n5a n GLU 18 N -0.99 0.05 -4.02 3.23 2.13 -1.26 -4.89 120.64 114.89 1n5a n GLU 18 Ca 0.00 0.05 -0.12 0.00 0.66 0.00 0.00 57.16 57.75 1n5a n GLU 18 Cb 0.20 -1.56 -0.12 0.00 0.27 0.00 0.00 31.44 30.23 1n5a n GLU 18 CO 0.00 0.00 0.00 -1.83 -0.41 0.00 0.00 177.13 174.89 1n5a s GLU 19 N -3.02 0.34 0.72 5.31 -1.05 -1.26 -5.12 118.70 114.61 1n5a s GLU 19 Ca 0.13 -0.46 -0.16 0.00 -0.15 0.00 0.00 54.97 54.33 1n5a s GLU 19 Cb 0.17 -0.13 -0.01 0.00 -0.44 0.00 0.00 34.13 33.73 1n5a s GLU 19 CO 0.54 0.02 0.81 -2.30 0.95 0.00 0.00 175.26 175.27 1n5a n PRO 20 N 2.09 0.44 -3.81 -4.83 -0.02 -1.26 -4.84 135.00 122.77 1n5a n PRO 20 Ca -0.19 0.20 -0.35 0.00 -2.02 0.00 0.00 63.50 61.14 1n5a n PRO 20 Cb 0.56 -2.08 -0.09 0.00 -0.02 0.00 0.00 33.50 31.88 1n5a n PRO 20 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1n5a s ARG 21 N -3.10 4.12 -0.18 -0.52 3.52 -0.60 -4.92 118.95 117.28 1n5a s ARG 21 Ca 0.71 -0.26 -0.00 0.00 -0.13 0.00 0.00 55.73 56.04 1n5a s ARG 21 Cb -0.35 -3.36 0.01 0.00 -1.56 0.00 0.00 34.95 29.69 1n5a s ARG 21 CO 0.53 0.28 -0.16 -0.47 -0.81 0.00 0.00 175.30 174.68 1n5a s TYR 22 N 0.38 2.81 -0.06 5.12 5.04 -1.26 -1.43 117.35 127.95 1n5a s TYR 22 Ca 0.06 -1.34 0.06 0.00 -2.44 0.00 0.00 57.07 53.42 1n5a s TYR 22 Cb -0.11 -1.95 -0.01 0.00 0.35 0.00 0.00 41.96 40.24 1n5a s TYR 22 CO -0.01 -0.66 -0.25 0.42 -1.34 0.00 0.00 175.55 173.71 1n5a s ILE 23 N 1.20 2.03 -0.05 3.14 1.09 0.45 -1.28 121.20 127.79 1n5a s ILE 23 Ca 0.02 -1.05 0.05 0.00 -1.10 0.00 0.00 60.65 58.58 1n5a s ILE 23 Cb -0.14 -1.72 -0.01 0.00 -1.06 0.00 0.00 42.46 39.53 1n5a s ILE 23 CO -0.07 0.56 -0.21 -0.55 -0.10 0.00 0.00 174.94 174.57 1n5a s SER 24 N -0.10 2.61 -0.05 3.58 0.15 -0.39 -0.27 113.70 119.23 1n5a s SER 24 Ca -0.05 -0.43 0.02 0.00 0.70 0.00 0.00 55.95 56.19 1n5a s SER 24 Cb -0.14 -0.67 0.02 0.00 -1.71 0.00 0.00 66.02 63.52 1n5a s SER 24 CO 0.04 0.21 -0.09 -0.69 1.20 0.00 0.00 173.24 173.91 1n5a s VAL 25 N -0.12 0.84 0.02 4.45 1.01 -0.45 -1.60 120.40 124.55 1n5a s VAL 25 Ca -0.02 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 61.66 1n5a s VAL 25 Cb -0.12 -0.80 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 1n5a s VAL 25 CO 0.02 0.29 0.02 -0.83 0.00 0.00 0.00 175.10 174.61 1n5a s GLY 26 N 0.74 1.92 0.01 4.51 0.00 -1.06 -0.05 107.32 113.40 1n5a s GLY 26 Ca -0.13 -0.96 0.03 0.00 0.00 0.00 0.00 44.72 43.66 1n5a s GLY 26 CO 0.02 -0.85 -0.08 -0.19 0.00 0.00 0.00 173.10 172.00 1n5a s TYR 27 N -1.16 0.72 -0.11 1.90 1.51 0.31 -1.09 117.35 119.43 1n5a s TYR 27 Ca 0.22 -0.25 0.03 0.00 -1.01 0.00 0.00 57.07 56.05 1n5a s TYR 27 Cb -0.12 -0.44 0.01 0.00 -0.11 0.00 0.00 41.96 41.30 1n5a s TYR 27 CO 0.13 -0.02 -0.21 0.08 -1.11 0.00 0.00 175.55 174.42 1n5a s VAL 28 N -0.59 1.89 -1.46 0.71 1.01 -0.76 -0.31 120.40 120.88 1n5a s VAL 28 Ca -0.01 -0.90 -0.13 0.00 0.00 0.00 0.00 61.98 60.95 1n5a s VAL 28 Cb -0.05 -1.66 0.10 0.00 0.00 0.00 0.00 36.38 34.76 1n5a s VAL 28 CO 0.00 0.52 0.69 0.47 0.00 0.00 0.00 175.10 176.78 1n5a n ASP 29 N 3.86 -3.95 -0.03 3.32 8.00 0.13 -2.09 116.55 125.79 1n5a n ASP 29 Ca -0.20 -0.64 -0.00 0.00 0.71 0.00 0.00 54.79 54.66 1n5a n ASP 29 Cb 0.52 -3.22 -0.00 0.00 -0.02 0.00 0.00 41.12 38.40 1n5a n ASP 29 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1n5a n ASN 30 N -2.52 -3.33 -4.23 -2.24 4.13 -1.26 -4.99 115.26 100.82 1n5a n ASN 30 Ca 0.02 0.01 -0.32 0.00 1.68 0.00 0.00 54.58 55.98 1n5a n ASN 30 Cb 0.52 -0.87 -0.17 0.00 -1.54 0.00 0.00 39.78 37.73 1n5a n ASN 30 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1n5a s LYS 31 N -0.56 2.85 0.18 3.52 1.02 -0.89 -5.05 119.74 120.81 1n5a s LYS 31 Ca 0.00 -0.87 -0.33 0.00 0.02 0.00 0.00 55.97 54.78 1n5a s LYS 31 Cb 0.00 -2.23 -0.14 0.00 -0.52 0.00 0.00 37.83 34.94 1n5a s LYS 31 CO 0.00 0.24 1.43 -1.91 -0.92 0.00 0.00 175.35 174.19 1n5a n GLU 32 N 3.34 1.84 0.00 1.68 2.13 -1.26 -1.83 120.64 126.54 1n5a n GLU 32 Ca -0.19 0.66 0.00 0.00 0.66 0.00 0.00 57.16 58.29 1n5a n GLU 32 Cb 0.53 -2.33 0.00 0.00 0.27 0.00 0.00 31.44 29.90 1n5a n GLU 32 CO 0.00 0.00 0.00 1.97 -0.41 0.00 0.00 177.13 178.69 1n5a n PHE 33 N 2.49 0.00 -3.99 4.31 -1.74 -0.25 -4.49 117.46 113.80 1n5a n PHE 33 Ca 0.15 0.00 -0.10 0.00 -0.56 0.00 0.00 57.45 56.94 1n5a n PHE 33 Cb 0.28 0.00 -0.06 0.00 1.52 0.00 0.00 39.48 41.21 1n5a n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 1n5a s VAL 34 N -0.73 0.03 -0.27 1.97 -7.23 -1.24 -0.81 120.40 112.12 1n5a s VAL 34 Ca 0.00 -1.42 -0.25 0.00 -1.81 0.00 0.00 61.98 58.50 1n5a s VAL 34 Cb 0.00 -2.06 0.10 0.00 0.56 0.00 0.00 36.38 34.98 1n5a s VAL 34 CO 0.00 -0.12 0.88 -0.60 -0.31 0.00 0.00 175.10 174.95 1n5a s ARG 35 N -4.00 0.67 0.01 4.82 3.52 -0.64 -2.58 118.95 120.75 1n5a s ARG 35 Ca 0.21 0.77 0.06 0.00 -0.13 0.00 0.00 55.73 56.64 1n5a s ARG 35 Cb 0.02 0.33 -0.02 0.00 -1.56 0.00 0.00 34.95 33.72 1n5a s ARG 35 CO 0.05 -0.09 -0.17 0.12 -0.81 0.00 0.00 175.30 174.41 1n5a s PHE 36 N 0.24 1.50 -0.23 5.12 2.19 -0.63 0.67 117.98 126.85 1n5a s PHE 36 Ca 0.01 -0.31 -0.03 0.00 0.33 0.00 0.00 56.93 56.93 1n5a s PHE 36 Cb -0.05 -0.94 0.11 0.00 -1.31 0.00 0.00 43.02 40.83 1n5a s PHE 36 CO -0.02 0.01 0.26 0.34 1.83 0.00 0.00 175.22 177.64 1n5a s ASP 37 N -0.71 1.30 0.00 6.13 -1.08 -1.26 -1.26 116.67 119.78 1n5a s ASP 37 Ca 0.06 -0.28 0.00 0.00 -0.52 0.00 0.00 52.55 51.81 1n5a s ASP 37 Cb -0.07 0.51 0.00 0.00 -1.46 0.00 0.00 42.92 41.90 1n5a s ASP 37 CO 0.00 -0.34 0.86 -1.54 0.52 0.00 0.00 175.17 174.67 1n5a n SER 38 N 5.32 0.00 0.12 -0.34 3.41 -0.40 -1.20 113.62 120.53 1n5a n SER 38 Ca -0.05 0.37 0.12 0.00 -0.26 0.00 0.00 58.87 59.05 1n5a n SER 38 Cb 0.49 -0.37 0.14 0.00 -0.26 0.00 0.00 64.21 64.21 1n5a n SER 38 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1n5a h ASP 39 N 0.00 0.00 -4.13 4.04 5.19 -1.95 -3.47 116.42 116.10 1n5a h ASP 39 Ca 0.00 -0.06 -0.51 0.00 -0.62 0.00 0.00 57.03 55.84 1n5a h ASP 39 Cb 0.10 0.00 0.20 0.00 0.18 0.00 0.00 39.33 39.80 1n5a h ASP 39 CO 0.00 0.03 0.19 0.00 -3.12 0.00 0.00 179.24 176.34 1n5a s ALA 40 N -3.24 1.21 0.15 3.45 0.00 -0.34 -4.90 121.76 118.08 1n5a s ALA 40 Ca 0.05 0.50 -0.12 0.00 0.00 0.00 0.00 51.96 52.38 1n5a s ALA 40 Cb 0.10 -3.42 0.01 0.00 0.00 0.00 0.00 23.12 19.80 1n5a s ALA 40 CO 0.72 -2.91 1.58 1.49 0.00 0.00 0.00 175.76 176.63 1n5a h GLU 41 N -1.98 0.87 -2.38 0.00 4.81 -1.90 -3.32 114.58 110.67 1n5a h GLU 41 Ca -0.46 -0.30 -0.60 0.00 -0.13 0.00 0.00 59.36 57.88 1n5a h GLU 41 Cb 1.28 -0.07 -0.41 0.00 0.63 0.00 0.00 28.75 30.18 1n5a h GLU 41 CO 0.43 0.93 -0.73 -1.71 -0.73 0.00 0.00 179.01 177.20 1n5a n ASN 42 N -4.30 2.48 -4.48 1.04 5.15 -1.26 -5.08 115.26 108.81 1n5a n ASN 42 Ca 0.00 -3.14 -0.55 0.00 -0.60 0.00 0.00 54.58 50.29 1n5a n ASN 42 Cb 0.34 -0.67 -0.08 0.00 -0.53 0.00 0.00 39.78 38.83 1n5a n ASN 42 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 1n5a n PRO 43 N 1.41 0.80 -3.67 1.20 -0.02 -1.25 -4.93 135.00 128.54 1n5a n PRO 43 Ca 0.26 0.25 -0.13 0.00 -2.02 0.00 0.00 63.50 61.86 1n5a n PRO 43 Cb 0.43 -2.10 -0.06 0.00 -0.02 0.00 0.00 33.50 31.74 1n5a n PRO 43 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1n5a s ARG 44 N 5.35 0.91 0.09 -0.52 3.52 -1.26 -5.02 118.95 122.03 1n5a s ARG 44 Ca 1.09 -0.38 -0.30 0.00 -0.13 0.00 0.00 55.73 56.01 1n5a s ARG 44 Cb -1.09 0.41 -0.06 0.00 -1.56 0.00 0.00 34.95 32.65 1n5a s ARG 44 CO 0.59 -0.31 1.11 0.71 -0.81 0.00 0.00 175.30 176.58 1n5a s TYR 45 N -2.50 3.56 0.12 5.12 2.02 -1.26 -4.36 117.35 120.06 1n5a s TYR 45 Ca -0.05 1.52 0.09 0.00 -0.37 0.00 0.00 57.07 58.26 1n5a s TYR 45 Cb -0.01 -3.29 -0.04 0.00 -0.40 0.00 0.00 41.96 38.23 1n5a s TYR 45 CO -0.03 -0.69 -0.19 -1.21 -1.57 0.00 0.00 175.55 171.86 1n5a s GLU 46 N 0.50 1.74 0.64 -0.62 0.41 0.21 -4.89 118.70 116.68 1n5a s GLU 46 Ca 0.53 -1.20 -0.16 0.00 -0.41 0.00 0.00 54.97 53.73 1n5a s GLU 46 Cb -0.27 -2.09 -0.01 0.00 -1.78 0.00 0.00 34.13 29.98 1n5a s GLU 46 CO 0.31 0.47 1.13 -2.14 -0.49 0.00 0.00 175.26 174.54 1n5a s PRO 47 N -2.15 2.87 0.00 0.39 0.02 -1.26 -1.62 135.00 133.25 1n5a s PRO 47 Ca 0.18 1.48 0.00 0.00 0.02 0.00 0.00 61.00 62.68 1n5a s PRO 47 Cb -0.10 -1.95 0.00 0.00 0.02 0.00 0.00 34.50 32.46 1n5a s PRO 47 CO 0.10 -1.21 0.23 0.54 -0.33 0.00 0.00 177.00 176.32 1n5a n ARG 48 N -2.17 0.02 -3.85 5.54 5.12 0.01 -4.82 116.66 116.51 1n5a n ARG 48 Ca 0.11 -0.23 -0.12 0.00 -1.93 0.00 0.00 57.85 55.69 1n5a n ARG 48 Cb 0.52 -0.69 -0.11 0.00 -1.16 0.00 0.00 32.46 31.02 1n5a n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1n5a s ALA 49 N -0.07 -0.35 0.22 7.54 0.00 -1.25 -4.75 121.76 123.10 1n5a s ALA 49 Ca 0.00 0.05 -0.09 0.00 0.00 0.00 0.00 51.96 51.92 1n5a s ALA 49 Cb 0.00 -0.01 0.20 0.00 0.00 0.00 0.00 23.12 23.31 1n5a s ALA 49 CO 0.00 -0.17 1.88 -1.00 0.00 0.00 0.00 175.76 176.47 1n5a h PRO 50 N 4.77 1.01 -0.17 0.00 0.13 -1.95 -1.18 132.00 134.62 1n5a h PRO 50 Ca -0.29 -0.06 0.05 0.00 -0.87 0.00 0.00 66.00 64.83 1n5a h PRO 50 Cb 1.20 -0.23 -0.01 0.00 0.13 0.00 0.00 31.00 32.09 1n5a h PRO 50 CO 0.40 0.67 0.24 0.11 -0.23 0.00 0.00 178.00 179.19 1n5a h TRP 51 N 1.04 0.00 0.00 1.56 5.08 -1.97 -1.05 115.95 120.61 1n5a h TRP 51 Ca 0.30 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 60.25 1n5a h TRP 51 Cb -0.07 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.09 1n5a h TRP 51 CO -0.02 0.00 -0.11 0.52 -1.28 0.00 0.00 178.44 177.55 1n5a h MET 52 N 0.00 0.00 0.00 0.12 2.86 -1.55 -3.21 114.93 113.14 1n5a h MET 52 Ca 0.08 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 1n5a h MET 52 Cb 0.55 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.21 1n5a h MET 52 CO -0.00 0.11 0.04 0.39 1.06 0.00 0.00 176.91 178.51 1n5a n GLU 53 N -3.18 0.00 -0.10 1.72 1.02 -0.40 -1.88 120.64 117.83 1n5a n GLU 53 Ca 0.02 0.29 -0.11 0.00 -0.02 0.00 0.00 57.16 57.34 1n5a n GLU 53 Cb 0.46 -1.54 -0.03 0.00 -0.02 0.00 0.00 31.44 30.30 1n5a n GLU 53 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1n5a h GLN 54 N 0.00 0.52 -6.49 3.49 4.20 -1.77 -3.44 115.11 111.62 1n5a h GLN 54 Ca 0.00 -0.16 -0.58 0.00 0.06 0.00 0.00 58.65 57.98 1n5a h GLN 54 Cb 0.09 -0.05 0.05 0.00 0.30 0.00 0.00 27.48 27.87 1n5a h GLN 54 CO 0.00 0.65 0.89 0.39 -0.67 0.00 0.00 178.83 180.08 1n5a n GLU 55 N -4.59 2.27 -1.26 1.46 -0.58 -0.79 -4.97 120.64 112.19 1n5a n GLU 55 Ca -0.03 0.82 -0.23 0.00 -0.42 0.00 0.00 57.16 57.30 1n5a n GLU 55 Cb 0.24 -2.62 0.18 0.00 -0.57 0.00 0.00 31.44 28.67 1n5a n GLU 55 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1n5a n GLY 56 N 3.67 -1.89 0.33 0.62 0.00 -1.26 -4.84 105.19 101.81 1n5a n GLY 56 Ca 0.18 -1.62 0.05 0.00 0.00 0.00 0.00 46.02 44.62 1n5a n GLY 56 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1n5a h PRO 57 N 0.00 0.60 -1.00 1.61 0.11 -1.98 -1.70 132.00 129.64 1n5a h PRO 57 Ca -0.34 -0.04 0.07 0.00 0.11 0.00 0.00 66.00 65.80 1n5a h PRO 57 Cb 0.96 -0.14 -0.07 0.00 0.11 0.00 0.00 31.00 31.87 1n5a h PRO 57 CO 0.23 0.40 0.65 0.93 -0.21 0.00 0.00 178.00 180.00 1n5a h GLU 58 N 0.62 1.14 0.11 1.05 5.08 -2.00 -1.37 114.58 119.21 1n5a h GLU 58 Ca 0.20 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1n5a h GLU 58 Cb 0.05 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.05 1n5a h GLU 58 CO -0.05 0.76 -0.05 -0.92 -1.00 0.00 0.00 179.01 177.74 1n5a h TYR 59 N 1.18 -0.14 -0.01 4.33 5.03 -1.64 -2.40 116.97 123.32 1n5a h TYR 59 Ca 0.43 -0.00 -0.09 0.00 2.58 0.00 0.00 58.73 61.65 1n5a h TYR 59 Cb 0.17 0.05 -0.01 0.00 1.55 0.00 0.00 36.73 38.48 1n5a h TYR 59 CO -0.00 -0.08 -0.41 -1.49 -1.32 0.00 0.00 178.16 174.86 1n5a h TRP 60 N -0.16 0.02 -0.19 -3.82 4.06 -1.48 -1.69 115.95 112.69 1n5a h TRP 60 Ca -0.02 -0.01 -0.05 0.00 2.06 0.00 0.00 58.89 60.88 1n5a h TRP 60 Cb 0.12 -0.01 -0.01 0.00 -1.00 0.00 0.00 29.16 28.27 1n5a h TRP 60 CO -0.07 0.43 -0.08 0.93 -3.56 0.00 0.00 178.44 176.10 1n5a h GLU 61 N 0.02 0.39 0.67 0.49 5.08 -1.21 -1.44 114.58 118.57 1n5a h GLU 61 Ca -0.00 -0.16 -0.03 0.00 -1.00 0.00 0.00 59.36 58.17 1n5a h GLU 61 Cb 0.74 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.97 1n5a h GLU 61 CO 0.05 0.67 -0.40 -0.09 -1.00 0.00 0.00 179.01 178.25 1n5a h ARG 62 N 0.09 -0.97 -0.88 2.33 2.43 -1.26 -1.08 114.38 115.04 1n5a h ARG 62 Ca 0.05 0.07 0.11 0.00 -0.81 0.00 0.00 59.98 59.39 1n5a h ARG 62 Cb 0.55 0.22 -0.07 0.00 -0.42 0.00 0.00 29.97 30.25 1n5a h ARG 62 CO 0.02 -0.65 0.57 0.93 -1.51 0.00 0.00 179.97 179.34 1n5a h GLU 63 N -1.01 0.79 -0.26 0.20 4.39 -1.37 -0.99 114.58 116.32 1n5a h GLU 63 Ca -0.08 -0.05 0.01 0.00 0.34 0.00 0.00 59.36 59.58 1n5a h GLU 63 Cb 0.81 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 29.27 1n5a h GLU 63 CO 0.09 0.52 0.16 1.15 -1.16 0.00 0.00 179.01 179.77 1n5a h THR 64 N 0.81 1.03 -0.32 1.13 2.02 -0.73 0.13 112.91 116.98 1n5a h THR 64 Ca 0.42 -0.11 -0.03 0.00 0.77 0.00 0.00 66.41 67.46 1n5a h THR 64 Cb 0.51 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.59 1n5a h THR 64 CO -0.19 0.06 0.05 1.56 0.37 0.00 0.00 175.52 177.38 1n5a h GLN 65 N 0.32 0.48 -0.61 6.66 1.08 -0.20 0.41 115.11 123.25 1n5a h GLN 65 Ca 0.10 -0.08 -0.04 0.00 -1.45 0.00 0.00 58.65 57.18 1n5a h GLN 65 Cb -0.01 -0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.32 1n5a h GLN 65 CO -0.05 0.46 0.23 0.87 -0.95 0.00 0.00 178.83 179.39 1n5a h LYS 66 N 0.47 0.93 0.42 1.46 1.57 -0.37 -0.75 116.57 120.31 1n5a h LYS 66 Ca 0.11 -0.18 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 1n5a h LYS 66 Cb 0.22 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1n5a h LYS 66 CO 0.00 0.81 -0.20 0.00 -0.57 0.00 0.00 179.45 179.48 1n5a h ALA 67 N 1.08 -0.57 -0.95 3.86 0.00 0.74 -0.35 119.26 123.08 1n5a h ALA 67 Ca 0.20 -0.13 0.14 0.00 0.00 0.00 0.00 54.91 55.13 1n5a h ALA 67 Cb 0.24 0.22 -0.08 0.00 0.00 0.00 0.00 17.79 18.17 1n5a h ALA 67 CO -0.01 -0.82 0.60 0.87 0.00 0.00 0.00 179.25 179.89 1n5a h LYS 68 N -0.58 0.77 -0.39 0.00 1.57 -0.72 0.57 116.57 117.79 1n5a h LYS 68 Ca -0.06 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.71 1n5a h LYS 68 Cb 0.44 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.54 1n5a h LYS 68 CO 0.10 0.51 0.19 0.78 -0.57 0.00 0.00 179.45 180.45 1n5a h GLY 69 N 0.79 0.52 1.03 3.86 0.00 -0.52 -2.15 103.07 106.62 1n5a h GLY 69 Ca 0.48 -0.13 -0.03 0.00 0.00 0.00 0.00 47.33 47.66 1n5a h GLY 69 CO -0.25 0.09 0.41 1.46 0.00 0.00 0.00 176.54 178.25 1n5a h GLN 70 N 0.39 1.18 -0.29 4.80 1.08 0.18 -0.84 115.11 121.61 1n5a h GLN 70 Ca 0.17 -0.17 0.03 0.00 -1.45 0.00 0.00 58.65 57.23 1n5a h GLN 70 Cb 0.08 -0.22 -0.03 0.00 -0.05 0.00 0.00 27.48 27.26 1n5a h GLN 70 CO -0.12 0.90 0.09 1.49 -0.95 0.00 0.00 178.83 180.24 1n5a h GLU 71 N 1.17 0.20 -0.57 1.46 4.81 -0.70 0.50 114.58 121.45 1n5a h GLU 71 Ca 0.28 -0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.57 1n5a h GLU 71 Cb 0.10 -0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.38 1n5a h GLU 71 CO -0.04 0.13 0.25 1.96 -0.73 0.00 0.00 179.01 180.58 1n5a h GLN 72 N 0.21 0.45 -0.78 1.92 1.08 -0.70 -0.79 115.11 116.49 1n5a h GLN 72 Ca 0.13 -0.03 0.04 0.00 -1.45 0.00 0.00 58.65 57.34 1n5a h GLN 72 Cb 0.11 -0.10 -0.05 0.00 -0.05 0.00 0.00 27.48 27.39 1n5a h GLN 72 CO -0.14 0.30 0.49 2.35 -0.95 0.00 0.00 178.83 180.88 1n5a h TRP 73 N 0.46 0.92 -0.12 2.96 7.01 0.53 -1.17 115.95 126.56 1n5a h TRP 73 Ca 0.27 0.02 -0.12 0.00 2.11 0.00 0.00 58.89 61.18 1n5a h TRP 73 Cb 0.27 -0.30 -0.01 0.00 -2.10 0.00 0.00 29.16 27.01 1n5a h TRP 73 CO -0.14 0.52 -0.45 0.74 -2.79 0.00 0.00 178.44 176.32 1n5a h PHE 74 N 0.95 0.33 -0.42 2.65 -1.00 0.76 -0.98 116.94 119.24 1n5a h PHE 74 Ca 0.32 -0.10 -0.06 0.00 2.81 0.00 0.00 57.97 60.94 1n5a h PHE 74 Cb 0.04 -0.07 -0.02 0.00 3.61 0.00 0.00 35.95 39.51 1n5a h PHE 74 CO -0.03 0.68 0.04 -0.09 -1.61 0.00 0.00 178.31 177.30 1n5a h ARG 75 N 0.23 0.70 -0.29 1.51 2.43 -0.50 0.93 114.38 119.38 1n5a h ARG 75 Ca 0.02 -0.20 -0.16 0.00 -0.81 0.00 0.00 59.98 58.83 1n5a h ARG 75 Cb 0.89 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.36 1n5a h ARG 75 CO 0.07 0.76 -0.45 0.28 -1.51 0.00 0.00 179.97 179.12 1n5a h VAL 76 N 0.55 1.29 -0.21 0.20 2.07 -1.00 -2.49 116.25 116.66 1n5a h VAL 76 Ca 0.12 -1.64 -0.02 0.00 0.82 0.00 0.00 66.70 65.98 1n5a h VAL 76 Cb 0.41 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 1n5a h VAL 76 CO 0.01 0.53 0.06 0.28 0.02 0.00 0.00 177.57 178.48 1n5a h SER 77 N 0.61 0.31 -0.97 0.57 0.02 -0.97 -1.24 113.55 111.88 1n5a h SER 77 Ca 0.04 -0.21 0.22 0.00 -0.84 0.00 0.00 61.79 61.00 1n5a h SER 77 Cb 1.02 -0.08 -0.12 0.00 0.14 0.00 0.00 62.40 63.36 1n5a h SER 77 CO 0.10 0.43 0.54 -0.07 -1.14 0.00 0.00 176.83 176.69 1n5a h LEU 78 N 0.16 0.61 -0.40 5.07 4.07 -0.76 0.27 115.31 124.33 1n5a h LEU 78 Ca 0.07 0.13 -0.04 0.00 0.08 0.00 0.00 57.88 58.12 1n5a h LEU 78 Cb 0.24 0.04 -0.02 0.00 1.08 0.00 0.00 40.66 42.00 1n5a h LEU 78 CO -0.00 0.13 0.10 -0.09 -1.08 0.00 0.00 178.44 177.49 1n5a h ARG 79 N 0.58 0.65 -0.16 1.13 2.43 -0.89 -2.80 114.38 115.32 1n5a h ARG 79 Ca 0.60 -0.16 -0.10 0.00 -0.81 0.00 0.00 59.98 59.51 1n5a h ARG 79 Cb 1.08 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.55 1n5a h ARG 79 CO -0.46 0.67 -0.28 -0.91 -1.51 0.00 0.00 179.97 177.48 1n5a h ASN 80 N 0.51 0.53 -0.90 -3.80 2.35 0.38 -2.94 115.58 111.71 1n5a h ASN 80 Ca 0.13 -0.54 0.18 0.00 -0.55 0.00 0.00 56.30 55.51 1n5a h ASN 80 Cb 0.32 -0.15 -0.07 0.00 0.05 0.00 0.00 38.32 38.46 1n5a h ASN 80 CO 0.00 0.97 0.59 -0.07 -1.65 0.00 0.00 177.43 177.27 1n5a h LEU 81 N 0.11 0.55 -1.37 1.61 3.38 -0.63 0.40 115.31 119.36 1n5a h LEU 81 Ca 0.01 0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.06 1n5a h LEU 81 Cb 0.87 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.52 1n5a h LEU 81 CO 0.06 0.24 0.45 0.25 0.09 0.00 0.00 178.44 179.54 1n5a h LEU 82 N 0.56 0.70 0.24 1.67 5.85 -1.31 -0.60 115.31 122.42 1n5a h LEU 82 Ca 0.47 -0.01 -0.34 0.00 0.84 0.00 0.00 57.88 58.85 1n5a h LEU 82 Cb 0.95 -0.16 0.03 0.00 0.37 0.00 0.00 40.66 41.85 1n5a h LEU 82 CO -0.21 0.48 -1.53 1.23 -0.34 0.00 0.00 178.44 178.07 1n5a h GLY 83 N 0.82 0.57 0.72 3.75 0.00 -0.30 -1.44 103.07 107.19 1n5a h GLY 83 Ca 0.28 -1.46 0.09 0.00 0.00 0.00 0.00 47.33 46.23 1n5a h GLY 83 CO -0.08 1.28 0.60 -0.97 0.00 0.00 0.00 176.54 177.37 1n5a h TYR 84 N 0.14 1.04 -0.42 5.60 0.05 0.02 -1.94 116.97 121.45 1n5a h TYR 84 Ca -0.27 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.54 1n5a h TYR 84 Cb 2.15 -0.34 0.00 0.00 1.01 0.00 0.00 36.73 39.55 1n5a h TYR 84 CO 0.12 0.49 0.00 0.66 -1.05 0.00 0.00 178.16 178.38 1n5a n TYR 85 N -4.53 0.54 -3.74 4.88 4.01 -0.34 -4.84 117.16 113.15 1n5a n TYR 85 Ca 0.15 -0.27 -0.24 0.00 -0.16 0.00 0.00 57.90 57.39 1n5a n TYR 85 Cb 0.27 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.34 1n5a n TYR 85 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1n5a n ASN 86 N 1.51 -2.49 -4.86 7.72 5.15 -0.73 -4.94 115.26 116.63 1n5a n ASN 86 Ca 0.20 -0.78 -0.37 0.00 -0.60 0.00 0.00 54.58 53.03 1n5a n ASN 86 Cb 0.61 -4.13 -0.06 0.00 -0.53 0.00 0.00 39.78 35.67 1n5a n ASN 86 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1n5a s GLN 87 N -6.14 3.63 0.05 1.20 -0.21 -0.60 -5.05 119.66 112.54 1n5a s GLN 87 Ca 0.21 0.00 -0.00 0.00 0.02 0.00 0.00 55.36 55.59 1n5a s GLN 87 Cb -0.11 -3.22 0.01 0.00 1.00 0.00 0.00 33.01 30.69 1n5a s GLN 87 CO 0.81 0.71 0.06 0.43 -2.12 0.00 0.00 175.29 175.18 1n5a n SER 88 N 2.09 0.05 -4.89 5.90 7.64 -1.26 -4.75 113.62 118.39 1n5a n SER 88 Ca -0.18 -1.05 -0.29 0.00 1.01 0.00 0.00 58.87 58.36 1n5a n SER 88 Cb 0.54 -0.04 0.01 0.00 -1.01 0.00 0.00 64.21 63.70 1n5a n SER 88 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1n5a s ALA 89 N -3.25 3.27 0.00 -0.43 0.00 -1.26 -4.47 121.76 115.63 1n5a s ALA 89 Ca 0.04 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 51.65 1n5a s ALA 89 Cb -0.00 -2.79 0.00 0.00 0.00 0.00 0.00 23.12 20.33 1n5a s ALA 89 CO 0.03 -0.52 0.00 0.41 0.00 0.00 0.00 175.76 175.68 1n5a n GLY 90 N -2.48 1.16 3.70 0.00 0.00 -1.26 -5.10 105.19 101.20 1n5a n GLY 90 Ca 0.03 -0.21 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 1n5a n GLY 90 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1n5a s GLY 91 N -2.21 2.82 0.08 -0.02 0.00 -1.26 -4.89 107.32 101.85 1n5a s GLY 91 Ca 0.00 -1.07 0.04 0.00 0.00 0.00 0.00 44.72 43.69 1n5a s GLY 91 CO 0.00 -2.14 0.04 -0.56 0.00 0.00 0.00 173.10 170.44 1n5a s SER 92 N -3.80 5.30 0.03 1.64 0.01 -1.26 -3.91 113.70 111.70 1n5a s SER 92 Ca 0.17 -0.08 -0.09 0.00 1.31 0.00 0.00 55.95 57.26 1n5a s SER 92 Cb 0.05 -1.36 0.00 0.00 0.21 0.00 0.00 66.02 64.92 1n5a s SER 92 CO 0.09 0.18 0.18 -1.00 0.41 0.00 0.00 173.24 173.09 1n5a s HIS 93 N -1.35 0.06 0.04 2.43 0.09 -0.55 -4.98 115.29 111.03 1n5a s HIS 93 Ca 0.28 -0.24 0.05 0.00 -0.00 0.00 0.00 55.06 55.14 1n5a s HIS 93 Cb -0.12 -0.04 -0.02 0.00 -0.00 0.00 0.00 32.58 32.40 1n5a s HIS 93 CO 0.20 -0.39 -0.15 0.99 -0.00 0.00 0.00 174.74 175.39 1n5a s THR 94 N -2.24 1.18 -0.04 1.30 2.01 -1.26 -0.89 115.64 115.70 1n5a s THR 94 Ca -0.08 -1.05 0.00 0.00 0.31 0.00 0.00 61.69 60.87 1n5a s THR 94 Cb -0.03 -1.07 0.03 0.00 0.01 0.00 0.00 72.50 71.44 1n5a s THR 94 CO -0.02 0.01 -0.01 -0.22 -0.69 0.00 0.00 174.62 173.68 1n5a s LEU 95 N -1.20 1.13 0.13 4.42 2.96 -0.60 -1.66 118.68 123.86 1n5a s LEU 95 Ca 0.02 -0.06 0.05 0.00 -0.22 0.00 0.00 54.13 53.92 1n5a s LEU 95 Cb -0.08 -0.31 -0.04 0.00 0.50 0.00 0.00 46.19 46.26 1n5a s LEU 95 CO 0.01 -0.10 -0.12 -1.10 -1.32 0.00 0.00 176.35 173.72 1n5a s GLN 96 N 1.11 1.03 -0.01 1.98 -0.21 0.19 -0.86 119.66 122.89 1n5a s GLN 96 Ca -0.08 -1.32 -0.03 0.00 0.02 0.00 0.00 55.36 53.95 1n5a s GLN 96 Cb -0.14 -0.77 0.00 0.00 1.00 0.00 0.00 33.01 33.10 1n5a s GLN 96 CO -0.02 0.13 0.06 -1.14 -2.12 0.00 0.00 175.29 172.21 1n5a s GLN 97 N -3.11 0.21 -0.03 2.91 0.74 0.68 -1.25 119.66 119.82 1n5a s GLN 97 Ca 0.12 -0.15 0.03 0.00 0.05 0.00 0.00 55.36 55.41 1n5a s GLN 97 Cb -0.02 0.09 -0.00 0.00 1.10 0.00 0.00 33.01 34.18 1n5a s GLN 97 CO 0.02 -0.04 -0.11 -1.64 -0.55 0.00 0.00 175.29 172.97 1n5a s MET 98 N -0.55 1.14 0.05 1.67 -1.94 -0.58 -0.38 119.30 118.70 1n5a s MET 98 Ca -0.06 -0.39 -0.24 0.00 -1.71 0.00 0.00 55.69 53.29 1n5a s MET 98 Cb -0.04 -1.05 0.06 0.00 2.01 0.00 0.00 34.83 35.81 1n5a s MET 98 CO 0.00 0.17 0.56 -1.54 -0.01 0.00 0.00 175.02 174.20 1n5a s SER 99 N 0.08 -0.50 0.00 3.03 1.04 -0.84 -1.29 113.70 115.21 1n5a s SER 99 Ca -0.02 0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.65 1n5a s SER 99 Cb -0.09 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.55 1n5a s SER 99 CO 0.01 -0.74 0.00 0.61 0.98 0.00 0.00 173.24 174.09 1n5a n GLY 100 N 0.35 -0.51 3.11 7.32 0.00 0.04 -1.11 105.19 114.40 1n5a n GLY 100 Ca -0.18 -1.23 -0.08 0.00 0.00 0.00 0.00 46.02 44.53 1n5a n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n5a s ASP 102 N -2.79 2.76 0.12 0.00 1.01 -0.35 -1.83 116.67 115.58 1n5a s ASP 102 Ca 0.05 -0.48 0.09 0.00 0.71 0.00 0.00 52.55 52.92 1n5a s ASP 102 Cb 0.06 -1.09 -0.04 0.00 1.01 0.00 0.00 42.92 42.86 1n5a s ASP 102 CO -0.09 0.16 -0.20 -0.76 0.21 0.00 0.00 175.17 174.48 1n5a s LEU 103 N 0.24 2.60 0.00 1.23 1.43 0.25 0.15 118.68 124.58 1n5a s LEU 103 Ca -0.13 -0.60 -0.10 0.00 -1.03 0.00 0.00 54.13 52.27 1n5a s LEU 103 Cb -0.16 -1.47 0.16 0.00 0.03 0.00 0.00 46.19 44.75 1n5a s LEU 103 CO 0.06 0.18 0.98 0.61 0.23 0.00 0.00 176.35 178.42 1n5a n GLY 104 N 0.87 -0.94 0.31 -3.19 0.00 -0.74 -0.89 105.19 100.61 1n5a n GLY 104 Ca -0.16 -1.77 0.20 0.00 0.00 0.00 0.00 46.02 44.28 1n5a n GLY 104 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1n5a h SER 105 N -1.16 0.00 -0.25 1.61 4.64 -1.69 0.17 113.55 116.86 1n5a h SER 105 Ca -0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 1n5a h SER 105 Cb 0.94 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 1n5a h SER 105 CO 0.25 0.01 0.00 -0.90 -0.87 0.00 0.00 176.83 175.32 1n5a n ASP 106 N -3.15 1.57 0.00 4.97 5.75 -1.26 -4.77 116.55 119.67 1n5a n ASP 106 Ca -0.02 -2.05 0.00 0.00 -0.01 0.00 0.00 54.79 52.72 1n5a n ASP 106 Cb 0.17 -0.23 0.00 0.00 -1.03 0.00 0.00 41.12 40.03 1n5a n ASP 106 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1n5a n TRP 107 N 0.25 0.00 -2.86 2.11 7.02 0.58 -4.98 117.44 119.57 1n5a n TRP 107 Ca 0.09 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.21 1n5a n TRP 107 Cb 0.27 -1.25 -0.06 0.00 -2.42 0.00 0.00 31.31 27.85 1n5a n TRP 107 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 1n5a s ARG 108 N -1.09 4.42 -0.03 -0.99 1.81 -1.26 -4.79 118.95 117.02 1n5a s ARG 108 Ca 0.00 1.17 -0.31 0.00 -1.72 0.00 0.00 55.73 54.88 1n5a s ARG 108 Cb 0.00 -2.65 -0.09 0.00 -0.45 0.00 0.00 34.95 31.76 1n5a s ARG 108 CO 0.00 0.22 2.00 -0.11 -0.68 0.00 0.00 175.30 176.73 1n5a n LEU 109 N 0.26 3.88 -0.03 2.53 7.94 -1.26 -1.79 117.00 128.53 1n5a n LEU 109 Ca 0.03 0.81 -0.22 0.00 -1.11 0.00 0.00 56.01 55.52 1n5a n LEU 109 Cb 0.51 -1.50 -0.13 0.00 0.53 0.00 0.00 43.42 42.83 1n5a n LEU 109 CO 0.42 0.02 -0.77 -0.11 -1.11 0.00 0.00 177.39 175.84 1n5a n LEU 110 N 8.00 2.45 -3.60 -1.96 7.94 0.38 -4.88 117.00 125.33 1n5a n LEU 110 Ca 0.22 0.25 -0.12 0.00 -1.11 0.00 0.00 56.01 55.26 1n5a n LEU 110 Cb 0.39 -1.07 -0.06 0.00 0.53 0.00 0.00 43.42 43.20 1n5a n LEU 110 CO 0.69 0.71 0.64 -0.60 -1.11 0.00 0.00 177.39 177.72 1n5a s ARG 111 N -2.51 0.69 0.15 1.96 3.52 -1.15 -5.00 118.95 116.61 1n5a s ARG 111 Ca -0.25 0.46 0.03 0.00 -0.13 0.00 0.00 55.73 55.85 1n5a s ARG 111 Cb 0.07 0.33 -0.04 0.00 -1.56 0.00 0.00 34.95 33.75 1n5a s ARG 111 CO 0.72 -0.16 0.24 0.20 -0.81 0.00 0.00 175.30 175.49 1n5a s GLY 112 N -0.42 1.73 0.00 8.12 0.00 -1.26 -1.21 107.32 114.28 1n5a s GLY 112 Ca -0.01 -1.07 0.03 0.00 0.00 0.00 0.00 44.72 43.67 1n5a s GLY 112 CO 0.00 -1.07 -0.11 -0.19 0.00 0.00 0.00 173.10 171.73 1n5a s TYR 113 N -1.73 0.97 -0.44 1.90 1.51 0.08 -4.84 117.35 114.80 1n5a s TYR 113 Ca 0.34 -0.23 0.01 0.00 -1.01 0.00 0.00 57.07 56.18 1n5a s TYR 113 Cb -0.11 -0.61 0.20 0.00 -0.11 0.00 0.00 41.96 41.33 1n5a s TYR 113 CO 0.27 -0.01 0.88 -1.17 -1.11 0.00 0.00 175.55 174.41 1n5a s LEU 114 N -0.50 -0.97 0.11 -1.29 0.20 -1.25 -0.78 118.68 114.20 1n5a s LEU 114 Ca 0.03 -1.10 0.09 0.00 0.69 0.00 0.00 54.13 53.84 1n5a s LEU 114 Cb -0.05 1.27 -0.04 0.00 -0.43 0.00 0.00 46.19 46.94 1n5a s LEU 114 CO -0.00 -0.04 -0.23 0.00 -0.29 0.00 0.00 176.35 175.79 1n5a s GLN 115 N 1.01 1.27 0.15 1.98 -2.07 -0.41 -1.51 119.66 120.06 1n5a s GLN 115 Ca 0.26 -1.22 0.11 0.00 -1.82 0.00 0.00 55.36 52.69 1n5a s GLN 115 Cb 0.05 -1.61 -0.04 0.00 -1.09 0.00 0.00 33.01 30.32 1n5a s GLN 115 CO -0.08 0.38 -0.25 -0.06 -1.32 0.00 0.00 175.29 173.96 1n5a s PHE 116 N -1.09 2.24 0.00 9.60 0.40 0.32 -1.53 117.98 127.92 1n5a s PHE 116 Ca 0.09 -0.38 0.01 0.00 -0.60 0.00 0.00 56.93 56.06 1n5a s PHE 116 Cb -0.10 -1.18 -0.01 0.00 0.51 0.00 0.00 43.02 42.24 1n5a s PHE 116 CO 0.05 0.37 -0.05 0.00 0.70 0.00 0.00 175.22 176.29 1n5a s ALA 117 N -1.27 0.37 -0.10 5.36 0.00 -0.38 -0.89 121.76 124.86 1n5a s ALA 117 Ca 0.15 -0.28 0.03 0.00 0.00 0.00 0.00 51.96 51.87 1n5a s ALA 117 Cb -0.09 -0.06 0.01 0.00 0.00 0.00 0.00 23.12 22.97 1n5a s ALA 117 CO 0.07 0.06 -0.21 -0.47 0.00 0.00 0.00 175.76 175.22 1n5a s TYR 118 N -0.33 2.28 -1.47 0.00 5.04 0.86 -0.64 117.35 123.10 1n5a s TYR 118 Ca -0.01 -0.96 -0.08 0.00 -2.44 0.00 0.00 57.07 53.59 1n5a s TYR 118 Cb -0.03 -1.56 0.03 0.00 0.35 0.00 0.00 41.96 40.75 1n5a s TYR 118 CO -0.00 -0.41 0.79 0.39 -1.34 0.00 0.00 175.55 174.98 1n5a n GLU 119 N 3.69 -5.50 -0.20 4.97 -0.58 -0.67 -0.99 120.64 121.37 1n5a n GLU 119 Ca -0.20 0.77 0.00 0.00 -0.42 0.00 0.00 57.16 57.31 1n5a n GLU 119 Cb 0.52 -5.66 0.00 0.00 -0.57 0.00 0.00 31.44 25.73 1n5a n GLU 119 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1n5a n GLY 120 N -1.61 2.38 3.85 0.62 0.00 -1.26 -5.00 105.19 104.17 1n5a n GLY 120 Ca -0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 1n5a n GLY 120 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n5a s ARG 121 N -0.02 3.26 0.23 1.61 3.00 -0.16 -5.02 118.95 121.85 1n5a s ARG 121 Ca 0.00 -0.40 -0.31 0.00 0.00 0.00 0.00 55.73 55.02 1n5a s ARG 121 Cb 0.00 -2.99 -0.11 0.00 0.00 0.00 0.00 34.95 31.85 1n5a s ARG 121 CO 0.00 0.66 1.64 -0.51 0.00 0.00 0.00 175.30 177.09 1n5a s ASP 122 N -1.86 6.42 -0.04 0.23 1.01 -1.26 -0.10 116.67 121.08 1n5a s ASP 122 Ca 0.25 2.84 -0.07 0.00 0.71 0.00 0.00 52.55 56.29 1n5a s ASP 122 Cb -0.12 -2.61 -0.03 0.00 1.01 0.00 0.00 42.92 41.16 1n5a s ASP 122 CO 0.17 -0.92 -0.14 0.00 0.21 0.00 0.00 175.17 174.49 1n5a n TYR 123 N 3.29 0.00 -3.70 4.23 9.36 -0.06 -4.74 117.16 125.54 1n5a n TYR 123 Ca 0.12 0.00 -0.14 0.00 3.32 0.00 0.00 57.90 61.20 1n5a n TYR 123 Cb 0.37 -0.26 -0.08 0.00 -0.63 0.00 0.00 39.34 38.73 1n5a n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 1n5a s ILE 124 N -2.31 0.03 0.05 2.97 2.07 -1.12 -4.19 121.20 118.69 1n5a s ILE 124 Ca -0.13 -0.23 -0.00 0.00 -1.41 0.00 0.00 60.65 58.88 1n5a s ILE 124 Cb 0.03 -0.71 -0.04 0.00 0.13 0.00 0.00 42.46 41.88 1n5a s ILE 124 CO 0.18 -0.13 -0.04 0.00 -1.91 0.00 0.00 174.94 173.05 1n5a s ALA 125 N -0.82 0.52 -0.26 1.50 0.00 0.80 -0.52 121.76 122.97 1n5a s ALA 125 Ca -0.09 -1.10 -0.14 0.00 0.00 0.00 0.00 51.96 50.63 1n5a s ALA 125 Cb -0.03 0.22 -0.04 0.00 0.00 0.00 0.00 23.12 23.26 1n5a s ALA 125 CO 0.04 -0.29 0.34 -1.17 0.00 0.00 0.00 175.76 174.68 1n5a s LEU 126 N -2.60 4.06 0.91 0.00 2.96 -0.57 -0.36 118.68 123.08 1n5a s LEU 126 Ca 0.03 0.28 -0.10 0.00 -0.22 0.00 0.00 54.13 54.12 1n5a s LEU 126 Cb 0.03 -2.38 0.14 0.00 0.50 0.00 0.00 46.19 44.49 1n5a s LEU 126 CO -0.07 -0.13 1.14 0.20 -1.32 0.00 0.00 176.35 176.18 1n5a s ASN 127 N 1.48 2.97 0.49 3.68 0.01 -0.03 -4.55 114.94 118.99 1n5a s ASN 127 Ca 0.14 2.16 0.33 0.00 -0.71 0.00 0.00 52.86 54.78 1n5a s ASN 127 Cb -0.15 -2.56 1.67 0.00 0.41 0.00 0.00 41.25 40.62 1n5a s ASN 127 CO 0.09 -3.07 2.01 1.05 -1.51 0.00 0.00 177.10 175.67 1n5a h GLU 128 N -1.85 0.00 0.00 -0.60 4.11 -1.88 0.40 114.58 114.76 1n5a h GLU 128 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.00 1n5a h GLU 128 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1n5a h GLU 128 CO 0.42 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.10 1n5a n ASP 129 N -2.74 0.00 -1.94 3.06 5.75 -1.26 -4.76 116.55 114.66 1n5a n ASP 129 Ca -0.01 -0.19 -0.04 0.00 -0.01 0.00 0.00 54.79 54.54 1n5a n ASP 129 Cb 0.13 -0.11 -0.01 0.00 -1.03 0.00 0.00 41.12 40.10 1n5a n ASP 129 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1n5a n LEU 130 N -1.11 -0.34 0.00 -2.12 4.77 0.14 -4.70 117.00 113.64 1n5a n LEU 130 Ca 0.08 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 1n5a n LEU 130 Cb 0.06 -1.20 0.00 0.00 -2.33 0.00 0.00 43.42 39.95 1n5a n LEU 130 CO 0.08 -0.11 -0.21 0.29 -1.33 0.00 0.00 177.39 176.11 1n5a n LYS 131 N -2.07 2.96 -4.35 3.23 5.02 -1.26 -4.67 118.16 117.02 1n5a n LYS 131 Ca -0.04 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.04 1n5a n LYS 131 Cb 0.37 -0.71 -0.10 0.00 -0.02 0.00 0.00 35.03 34.57 1n5a n LYS 131 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1n5a s THR 132 N -1.01 1.85 0.19 -0.18 -4.23 -1.26 -4.90 115.64 106.10 1n5a s THR 132 Ca 0.00 -2.12 0.08 0.00 -1.18 0.00 0.00 61.69 58.47 1n5a s THR 132 Cb 0.00 -1.99 -0.04 0.00 1.34 0.00 0.00 72.50 71.81 1n5a s THR 132 CO 0.00 -0.46 0.01 0.26 -0.54 0.00 0.00 174.62 173.88 1n5a s TRP 133 N -2.56 2.83 -0.07 3.99 0.52 -1.26 -0.85 118.94 121.54 1n5a s TRP 133 Ca 0.21 -0.15 0.05 0.00 0.02 0.00 0.00 56.10 56.23 1n5a s TRP 133 Cb -0.03 -1.35 -0.01 0.00 -1.15 0.00 0.00 33.47 30.93 1n5a s TRP 133 CO 0.08 0.53 -0.24 0.99 0.02 0.00 0.00 176.95 178.33 1n5a s THR 134 N -1.82 2.10 -0.25 2.01 2.01 0.51 -4.87 115.64 115.33 1n5a s THR 134 Ca 0.28 -1.04 -0.04 0.00 0.31 0.00 0.00 61.69 61.20 1n5a s THR 134 Cb -0.09 -1.77 0.13 0.00 0.01 0.00 0.00 72.50 70.78 1n5a s THR 134 CO 0.19 0.57 0.46 0.00 -0.69 0.00 0.00 174.62 175.15 1n5a s ALA 135 N -0.00 -1.45 -0.05 7.40 0.00 -1.26 -0.14 121.76 126.25 1n5a s ALA 135 Ca -0.08 1.41 -0.17 0.00 0.00 0.00 0.00 51.96 53.12 1n5a s ALA 135 Cb -0.15 -1.70 -0.31 0.00 0.00 0.00 0.00 23.12 20.97 1n5a s ALA 135 CO 0.05 -1.11 0.76 0.00 0.00 0.00 0.00 175.76 175.47 1n5a h ALA 136 N 8.12 0.02 -2.93 0.00 0.00 -1.87 -3.44 119.26 119.15 1n5a h ALA 136 Ca -0.19 -0.93 -0.54 0.00 0.00 0.00 0.00 54.91 53.25 1n5a h ALA 136 Cb 1.14 0.30 0.11 0.00 0.00 0.00 0.00 17.79 19.34 1n5a h ALA 136 CO 0.21 0.70 0.66 -0.51 0.00 0.00 0.00 179.25 180.30 1n5a s ASP 137 N -7.17 6.00 0.14 0.00 1.11 -1.26 -4.88 116.67 110.61 1n5a s ASP 137 Ca -0.15 2.79 -0.19 0.00 0.18 0.00 0.00 52.55 55.18 1n5a s ASP 137 Cb 0.03 -2.65 0.02 0.00 1.07 0.00 0.00 42.92 41.39 1n5a s ASP 137 CO 0.84 -1.08 1.71 0.24 1.18 0.00 0.00 175.17 178.06 1n5a h MET 138 N 2.38 0.06 -0.72 8.23 2.86 -2.00 0.24 114.93 125.99 1n5a h MET 138 Ca -0.50 -0.00 0.17 0.00 -2.06 0.00 0.00 59.70 57.31 1n5a h MET 138 Cb 1.26 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.87 1n5a h MET 138 CO 0.61 0.04 0.50 0.00 1.06 0.00 0.00 176.91 179.12 1n5a h ALA 139 N 1.24 2.36 0.00 6.32 0.00 -1.90 -1.32 119.26 125.95 1n5a h ALA 139 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1n5a h ALA 139 Cb 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1n5a h ALA 139 CO -0.23 -0.56 0.00 0.00 0.00 0.00 0.00 179.25 178.46 1n5a h ALA 140 N 1.66 1.00 -0.89 0.00 0.00 -0.84 -2.98 119.26 117.21 1n5a h ALA 140 Ca 0.35 0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.34 1n5a h ALA 140 Cb 1.07 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.79 1n5a h ALA 140 CO -0.07 0.00 0.58 1.96 0.00 0.00 0.00 179.25 181.71 1n5a h GLN 141 N 0.00 0.92 0.18 0.00 1.08 -1.05 0.25 115.11 116.49 1n5a h GLN 141 Ca 0.00 -0.06 0.01 0.00 -1.45 0.00 0.00 58.65 57.16 1n5a h GLN 141 Cb 0.56 -0.21 -0.04 0.00 -0.05 0.00 0.00 27.48 27.74 1n5a h GLN 141 CO 0.00 0.61 -0.46 0.82 -0.95 0.00 0.00 178.83 178.85 1n5a h ILE 142 N 0.94 0.10 -0.48 2.54 2.04 -1.68 0.69 117.51 121.67 1n5a h ILE 142 Ca 0.40 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.34 1n5a h ILE 142 Cb 0.30 0.10 -0.07 0.00 -0.74 0.00 0.00 36.82 36.42 1n5a h ILE 142 CO -0.16 0.00 0.10 0.74 0.00 0.00 0.00 178.15 178.83 1n5a h THR 143 N -0.73 0.75 -0.45 -0.27 2.02 -1.32 -1.94 112.91 110.96 1n5a h THR 143 Ca 0.00 -0.08 0.08 0.00 0.77 0.00 0.00 66.41 67.18 1n5a h THR 143 Cb 0.73 0.48 -0.10 0.00 -1.74 0.00 0.00 68.15 67.53 1n5a h THR 143 CO -0.22 0.04 -0.39 -0.09 0.37 0.00 0.00 175.52 175.23 1n5a h ARG 144 N 0.24 -0.27 0.04 6.66 2.43 -0.28 0.51 114.38 123.71 1n5a h ARG 144 Ca 0.24 0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.44 1n5a h ARG 144 Cb 0.31 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.89 1n5a h ARG 144 CO -0.30 -0.18 -0.12 0.00 -1.51 0.00 0.00 179.97 177.85 1n5a h ARG 145 N -0.28 -0.22 -0.11 0.20 3.08 -0.25 0.22 114.38 117.02 1n5a h ARG 145 Ca 0.16 0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.27 1n5a h ARG 145 Cb 0.57 0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.61 1n5a h ARG 145 CO -0.59 -0.15 -0.31 -0.22 -1.07 0.00 0.00 179.97 177.63 1n5a h LYS 146 N -0.23 -0.38 -0.77 0.04 3.64 -0.53 0.31 116.57 118.65 1n5a h LYS 146 Ca 0.03 0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.48 1n5a h LYS 146 Cb 0.26 0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.13 1n5a h LYS 146 CO -0.10 -0.25 0.51 -1.49 -2.27 0.00 0.00 179.45 175.85 1n5a h TRP 147 N -0.40 0.91 -0.20 1.91 4.06 -0.57 -1.44 115.95 120.22 1n5a h TRP 147 Ca 0.09 0.02 -0.04 0.00 2.06 0.00 0.00 58.89 61.02 1n5a h TRP 147 Cb 0.53 -0.30 -0.01 0.00 -1.00 0.00 0.00 29.16 28.38 1n5a h TRP 147 CO -0.38 0.52 -0.03 0.93 -3.56 0.00 0.00 178.44 175.92 1n5a h GLU 148 N 0.94 0.38 0.00 0.49 5.08 0.19 -2.06 114.58 119.60 1n5a h GLU 148 Ca 0.31 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1n5a h GLU 148 Cb 0.07 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1n5a h GLU 148 CO -0.09 0.62 0.00 1.04 -1.00 0.00 0.00 179.01 179.58 1n5a n GLN 149 N -4.64 0.30 -0.02 2.33 3.00 0.85 -2.96 117.38 116.23 1n5a n GLN 149 Ca -0.05 0.10 0.02 0.00 -0.01 0.00 0.00 57.00 57.06 1n5a n GLN 149 Cb 0.26 -1.50 0.03 0.00 0.00 0.00 0.00 30.24 29.03 1n5a n GLN 149 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 1n5a n SER 150 N -1.27 1.72 -0.29 1.08 3.41 -0.58 -4.99 113.62 112.70 1n5a n SER 150 Ca 0.10 -1.53 -0.04 0.00 -0.26 0.00 0.00 58.87 57.14 1n5a n SER 150 Cb 0.15 -0.03 -0.02 0.00 -0.26 0.00 0.00 64.21 64.05 1n5a n SER 150 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1n5a n GLY 151 N -0.00 0.66 0.20 5.00 0.00 -0.84 -4.92 105.19 105.30 1n5a n GLY 151 Ca 0.03 -0.90 -0.02 0.00 0.00 0.00 0.00 46.02 45.12 1n5a n GLY 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n5a h ALA 152 N 0.00 0.54 -0.91 4.61 0.00 -1.72 -2.46 119.26 119.33 1n5a h ALA 152 Ca -0.08 0.11 0.21 0.00 0.00 0.00 0.00 54.91 55.16 1n5a h ALA 152 Cb 0.25 0.16 -0.12 0.00 0.00 0.00 0.00 17.79 18.09 1n5a h ALA 152 CO 0.11 -0.33 0.44 0.00 0.00 0.00 0.00 179.25 179.47 1n5a h ALA 153 N 1.40 1.47 -0.63 0.00 0.00 -1.91 0.19 119.26 119.79 1n5a h ALA 153 Ca 0.25 0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.32 1n5a h ALA 153 Cb 0.35 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 1n5a h ALA 153 CO -0.34 -0.28 0.39 0.93 0.00 0.00 0.00 179.25 179.95 1n5a h GLU 154 N 0.48 0.76 0.90 0.00 3.07 -1.71 0.26 114.58 118.33 1n5a h GLU 154 Ca 0.56 -0.05 -0.04 0.00 -0.50 0.00 0.00 59.36 59.33 1n5a h GLU 154 Cb 1.01 -0.17 0.01 0.00 -0.84 0.00 0.00 28.75 28.76 1n5a h GLU 154 CO -0.49 0.50 -0.43 1.25 -1.40 0.00 0.00 179.01 178.44 1n5a h HIS 155 N 0.78 -1.12 -0.45 4.33 2.76 -0.61 -0.76 115.15 120.08 1n5a h HIS 155 Ca 0.25 -0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.39 1n5a h HIS 155 Cb -0.00 0.37 -0.02 0.00 1.55 0.00 0.00 27.41 29.30 1n5a h HIS 155 CO -0.05 -0.69 0.29 1.88 -1.30 0.00 0.00 177.93 178.06 1n5a h TYR 156 N -1.23 0.57 -0.77 5.26 0.05 -1.28 -2.04 116.97 117.53 1n5a h TYR 156 Ca -0.12 0.01 0.04 0.00 0.05 0.00 0.00 58.73 58.70 1n5a h TYR 156 Cb 0.93 -0.19 -0.05 0.00 1.01 0.00 0.00 36.73 38.43 1n5a h TYR 156 CO -0.01 0.36 0.49 -0.22 -1.05 0.00 0.00 178.16 177.73 1n5a h LYS 157 N 0.61 0.91 -0.64 4.88 3.64 -0.06 0.41 116.57 126.32 1n5a h LYS 157 Ca 0.16 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.45 1n5a h LYS 157 Cb -0.06 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 31.52 1n5a h LYS 157 CO -0.03 0.60 0.25 0.00 -2.27 0.00 0.00 179.45 178.00 1n5a h ALA 158 N 1.33 0.84 -0.13 5.00 0.00 -0.44 -0.56 119.26 125.29 1n5a h ALA 158 Ca 0.31 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1n5a h ALA 158 Cb 0.04 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 1n5a h ALA 158 CO -0.12 0.46 0.01 -0.92 0.00 0.00 0.00 179.25 178.68 1n5a h TYR 159 N 0.91 0.25 -0.78 0.00 3.20 -0.90 0.34 116.97 119.99 1n5a h TYR 159 Ca 0.21 -0.04 0.02 0.00 3.14 0.00 0.00 58.73 62.06 1n5a h TYR 159 Cb 0.21 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.38 1n5a h TYR 159 CO 0.01 0.45 0.51 -0.07 -1.64 0.00 0.00 178.16 177.42 1n5a h LEU 160 N -0.02 0.85 0.00 2.82 3.38 -0.65 -1.70 115.31 119.99 1n5a h LEU 160 Ca 0.04 -0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.84 1n5a h LEU 160 Cb 0.34 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1n5a h LEU 160 CO 0.01 0.60 -0.79 -0.33 0.09 0.00 0.00 178.44 178.02 1n5a h GLU 161 N 1.01 0.00 0.00 1.13 5.08 -0.99 -3.34 114.58 117.47 1n5a h GLU 161 Ca 0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 1n5a h GLU 161 Cb -0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1n5a h GLU 161 CO -0.09 0.73 0.00 0.41 -1.00 0.00 0.00 179.01 179.06 1n5a n GLY 162 N 1.30 0.20 0.34 -3.84 0.00 0.10 -4.54 105.19 98.75 1n5a n GLY 162 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.09 1n5a n GLY 162 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1n5a h GLU 163 N 0.00 0.00 -0.78 1.61 5.08 -1.66 0.14 114.58 118.97 1n5a h GLU 163 Ca 0.00 -0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.47 1n5a h GLU 163 Cb 0.00 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 1n5a h GLU 163 CO 0.00 0.00 0.51 0.00 -1.00 0.00 0.00 179.01 178.52 1n5a h VAL 165 N 0.66 0.48 -0.77 0.00 2.07 -0.93 -3.19 116.25 114.56 1n5a h VAL 165 Ca 0.37 -1.38 0.15 0.00 0.82 0.00 0.00 66.70 66.66 1n5a h VAL 165 Cb 0.53 0.92 -0.10 0.00 -1.52 0.00 0.00 31.29 31.12 1n5a h VAL 165 CO -0.14 0.16 0.32 -0.33 0.02 0.00 0.00 177.57 177.60 1n5a h GLU 166 N -1.00 0.44 -0.09 1.57 3.07 -0.73 -1.60 114.58 116.24 1n5a h GLU 166 Ca -0.01 -0.03 -0.17 0.00 -0.50 0.00 0.00 59.36 58.65 1n5a h GLU 166 Cb 0.35 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.15 1n5a h GLU 166 CO -0.01 0.29 -0.65 -1.49 -1.40 0.00 0.00 179.01 175.75 1n5a h TRP 167 N 0.45 0.48 -0.23 4.33 4.06 -0.57 -2.73 115.95 121.75 1n5a h TRP 167 Ca 0.43 -0.20 -0.06 0.00 2.06 0.00 0.00 58.89 61.12 1n5a h TRP 167 Cb 0.66 -0.08 -0.01 0.00 -1.00 0.00 0.00 29.16 28.72 1n5a h TRP 167 CO -0.16 0.92 -0.11 1.25 -3.56 0.00 0.00 178.44 176.77 1n5a h LEU 168 N 0.27 0.36 0.06 -4.49 5.85 -1.37 0.49 115.31 116.47 1n5a h LEU 168 Ca -0.01 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 1n5a h LEU 168 Cb 1.20 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.14 1n5a h LEU 168 CO 0.11 0.51 -0.03 0.45 -0.34 0.00 0.00 178.44 179.14 1n5a h HIS 169 N 0.35 -0.07 -0.79 1.25 3.86 -1.13 0.72 115.15 119.35 1n5a h HIS 169 Ca 0.07 -0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.30 1n5a h HIS 169 Cb 0.42 0.02 -0.04 0.00 1.06 0.00 0.00 27.41 28.87 1n5a h HIS 169 CO 0.01 0.08 0.51 -0.09 0.86 0.00 0.00 177.93 179.30 1n5a h ARG 170 N -0.20 1.00 -0.20 2.45 2.43 -0.93 -0.59 114.38 118.34 1n5a h ARG 170 Ca -0.01 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 1n5a h ARG 170 Cb 0.18 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 1n5a h ARG 170 CO 0.01 0.66 0.08 1.88 -1.51 0.00 0.00 179.97 181.10 1n5a h TYR 171 N 1.03 0.29 -0.48 2.20 0.05 0.11 -2.12 116.97 118.07 1n5a h TYR 171 Ca 0.30 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 59.06 1n5a h TYR 171 Cb -0.07 -0.09 -0.02 0.00 1.01 0.00 0.00 36.73 37.56 1n5a h TYR 171 CO -0.02 0.33 0.30 -0.07 -1.05 0.00 0.00 178.16 177.65 1n5a h LEU 172 N 0.17 0.55 -0.13 3.88 3.38 0.02 -1.20 115.31 121.98 1n5a h LEU 172 Ca 0.07 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1n5a h LEU 172 Cb 0.16 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 1n5a h LEU 172 CO -0.01 0.42 -0.04 0.11 0.09 0.00 0.00 178.44 179.01 1n5a h LYS 173 N 0.65 0.26 0.00 1.13 1.57 -0.91 -2.97 116.57 116.29 1n5a h LYS 173 Ca 0.17 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1n5a h LYS 173 Cb -0.05 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.25 1n5a h LYS 173 CO -0.03 0.56 0.00 0.09 -0.57 0.00 0.00 179.45 179.50 1n5a n ASN 174 N -4.71 0.03 -1.45 0.86 3.02 -0.53 -2.86 115.26 109.61 1n5a n ASN 174 Ca -0.06 0.51 -0.06 0.00 -0.03 0.00 0.00 54.58 54.94 1n5a n ASN 174 Cb 0.26 -0.51 0.10 0.00 -0.61 0.00 0.00 39.78 39.02 1n5a n ASN 174 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1n5a n GLY 175 N -0.28 4.80 0.22 7.41 0.00 -0.73 -4.89 105.19 111.72 1n5a n GLY 175 Ca 0.03 -1.73 -0.15 0.00 0.00 0.00 0.00 46.02 44.17 1n5a n GLY 175 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1n5a h ASN 176 N 1.59 -0.41 0.66 1.61 2.35 -1.38 -1.65 115.58 118.36 1n5a h ASN 176 Ca 0.10 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 1n5a h ASN 176 Cb 1.33 0.11 0.00 0.00 0.05 0.00 0.00 38.32 39.81 1n5a h ASN 176 CO 0.31 -0.23 0.00 0.00 -1.65 0.00 0.00 177.43 175.86 1n5a n ALA 177 N -2.35 1.86 -0.06 -0.83 0.00 -1.26 -3.40 120.51 114.46 1n5a n ALA 177 Ca -0.10 -0.06 -0.04 0.00 0.00 0.00 0.00 53.44 53.24 1n5a n ALA 177 Cb 0.23 -1.31 -0.01 0.00 0.00 0.00 0.00 19.45 18.36 1n5a n ALA 177 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1n5a n THR 178 N -1.54 1.25 -3.36 0.00 -1.04 -1.05 -4.66 114.28 103.88 1n5a n THR 178 Ca 0.04 0.25 -0.39 0.00 -2.04 0.00 0.00 64.05 61.91 1n5a n THR 178 Cb 0.22 -2.29 -0.03 0.00 -1.82 0.00 0.00 70.33 66.41 1n5a n THR 178 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1n5a n LEU 179 N -4.35 5.14 0.00 -4.42 4.77 -0.65 -4.19 117.00 113.31 1n5a n LEU 179 Ca -0.06 -5.17 0.00 0.00 -0.03 0.00 0.00 56.01 50.75 1n5a n LEU 179 Cb 0.23 -1.20 0.00 0.00 -2.33 0.00 0.00 43.42 40.12 1n5a n LEU 179 CO 0.09 1.60 0.09 -0.11 -1.33 0.00 0.00 177.39 177.73 1n5a n LEU 180 N 1.97 0.00 -4.86 2.23 7.94 -1.22 -4.81 117.00 118.25 1n5a n LEU 180 Ca 0.24 -0.03 -0.32 0.00 -1.11 0.00 0.00 56.01 54.80 1n5a n LEU 180 Cb 0.37 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.27 1n5a n LEU 180 CO 0.50 0.05 0.39 0.00 -1.11 0.00 0.00 177.39 177.22 1n5a s ARG 181 N 0.00 3.89 -0.06 1.96 1.70 -1.26 -5.09 118.95 120.09 1n5a s ARG 181 Ca 0.00 0.53 0.00 0.00 -0.47 0.00 0.00 55.73 55.79 1n5a s ARG 181 Cb 0.00 -2.46 0.02 0.00 -0.57 0.00 0.00 34.95 31.94 1n5a s ARG 181 CO 0.00 0.13 -0.03 0.95 -1.08 0.00 0.00 175.30 175.26 1n5a s THR 182 N -2.07 0.54 -0.51 4.99 -4.23 -1.26 -4.79 115.64 108.31 1n5a s THR 182 Ca 0.52 -0.06 -0.20 0.00 -1.18 0.00 0.00 61.69 60.77 1n5a s THR 182 Cb -0.10 -0.61 0.05 0.00 1.34 0.00 0.00 72.50 73.17 1n5a s THR 182 CO 0.22 0.26 0.70 -1.81 -0.54 0.00 0.00 174.62 173.45 1n5a s ASP 183 N 1.38 6.26 0.47 3.99 1.01 -0.09 -4.88 116.67 124.80 1n5a s ASP 183 Ca -0.04 -0.74 -0.24 0.00 0.71 0.00 0.00 52.55 52.24 1n5a s ASP 183 Cb -0.13 -2.33 -0.07 0.00 1.01 0.00 0.00 42.92 41.40 1n5a s ASP 183 CO -0.03 -0.96 1.33 -0.44 0.21 0.00 0.00 175.17 175.28 1n5a s SER 184 N 2.68 5.85 0.28 0.27 0.01 -1.26 -0.48 113.70 121.05 1n5a s SER 184 Ca 0.19 2.71 -0.30 0.00 1.31 0.00 0.00 55.95 59.86 1n5a s SER 184 Cb -0.17 -2.64 -0.12 0.00 0.21 0.00 0.00 66.02 63.30 1n5a s SER 184 CO 0.14 -1.17 1.61 -2.65 0.41 0.00 0.00 173.24 171.58 1n5a n PRO 185 N -0.41 2.70 -4.08 12.44 -0.02 -1.26 -4.41 135.00 139.96 1n5a n PRO 185 Ca 0.07 0.96 -0.32 0.00 -2.02 0.00 0.00 63.50 62.19 1n5a n PRO 185 Cb 0.44 -2.75 -0.16 0.00 -0.02 0.00 0.00 33.50 31.01 1n5a n PRO 185 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1n5a s LYS 186 N -0.30 2.54 0.01 -0.52 1.02 -0.96 -4.90 119.74 116.63 1n5a s LYS 186 Ca 0.65 -0.98 0.04 0.00 0.02 0.00 0.00 55.97 55.70 1n5a s LYS 186 Cb -0.50 -2.62 -0.03 0.00 -0.52 0.00 0.00 37.83 34.16 1n5a s LYS 186 CO 0.47 -0.37 -0.08 0.00 -0.92 0.00 0.00 175.35 174.45 1n5a s ALA 187 N 1.26 2.96 0.24 5.17 0.00 -1.26 -2.06 121.76 128.07 1n5a s ALA 187 Ca -0.01 -1.06 -0.03 0.00 0.00 0.00 0.00 51.96 50.87 1n5a s ALA 187 Cb -0.16 -1.06 -0.03 0.00 0.00 0.00 0.00 23.12 21.87 1n5a s ALA 187 CO -0.09 0.61 0.27 -3.38 0.00 0.00 0.00 175.76 173.17 1n5a s HIS 188 N -1.00 1.02 0.04 0.00 -3.43 -1.00 -4.98 115.29 105.93 1n5a s HIS 188 Ca 0.17 -1.24 0.07 0.00 -0.80 0.00 0.00 55.06 53.27 1n5a s HIS 188 Cb -0.11 -0.33 -0.02 0.00 -1.43 0.00 0.00 32.58 30.68 1n5a s HIS 188 CO 0.08 -0.81 -0.21 0.08 -2.00 0.00 0.00 174.74 171.87 1n5a s VAL 189 N -3.92 1.72 0.12 -5.38 1.01 -1.26 -0.69 120.40 112.00 1n5a s VAL 189 Ca 0.34 -1.18 0.11 0.00 0.00 0.00 0.00 61.98 61.25 1n5a s VAL 189 Cb 0.04 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 1n5a s VAL 189 CO 0.14 0.26 -0.25 0.42 0.00 0.00 0.00 175.10 175.67 1n5a s THR 190 N -0.76 2.36 -0.14 3.92 -4.23 0.10 -4.78 115.64 112.11 1n5a s THR 190 Ca 0.08 -1.70 -0.06 0.00 -1.18 0.00 0.00 61.69 58.84 1n5a s THR 190 Cb -0.09 -2.05 -0.04 0.00 1.34 0.00 0.00 72.50 71.66 1n5a s THR 190 CO 0.01 0.10 0.05 -2.28 -0.54 0.00 0.00 174.62 171.97 1n5a s HIS 191 N -1.06 3.26 -0.20 3.99 2.46 -1.26 -1.39 115.29 121.08 1n5a s HIS 191 Ca 0.15 0.14 -0.02 0.00 0.47 0.00 0.00 55.06 55.80 1n5a s HIS 191 Cb -0.10 -1.97 0.06 0.00 -0.13 0.00 0.00 32.58 30.44 1n5a s HIS 191 CO 0.07 0.31 0.01 -1.01 -2.47 0.00 0.00 174.74 171.64 1n5a s HIS 192 N -0.18 1.46 -0.45 3.88 3.76 -0.17 -5.00 115.29 118.58 1n5a s HIS 192 Ca 0.07 -1.13 -0.42 0.00 -0.15 0.00 0.00 55.06 53.43 1n5a s HIS 192 Cb -0.12 -1.20 -0.17 0.00 1.11 0.00 0.00 32.58 32.20 1n5a s HIS 192 CO 0.01 -0.66 2.03 -2.30 -0.85 0.00 0.00 174.74 172.98 1n5a n PRO 193 N 4.93 0.32 -1.74 8.40 -0.02 -1.26 -0.75 135.00 144.87 1n5a n PRO 193 Ca -0.10 0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1n5a n PRO 193 Cb 0.46 -1.74 0.00 0.00 -0.02 0.00 0.00 33.50 32.20 1n5a n PRO 193 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1n5a n ARG 194 N 6.90 1.68 -0.94 -0.52 0.63 -0.93 -4.88 116.66 118.59 1n5a n ARG 194 Ca 0.46 0.00 -0.33 0.00 -0.92 0.00 0.00 57.85 57.06 1n5a n ARG 194 Cb 0.02 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 32.91 1n5a n ARG 194 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1n5a n SER 195 N -1.32 -0.64 -4.56 6.15 2.88 -1.21 -4.25 113.62 110.68 1n5a n SER 195 Ca 0.00 0.75 -0.65 0.00 -1.33 0.00 0.00 58.87 57.64 1n5a n SER 195 Cb 0.00 -0.62 -0.10 0.00 -0.75 0.00 0.00 64.21 62.74 1n5a n SER 195 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1n5a n LYS 196 N 0.73 0.00 -0.70 -1.46 5.02 -1.26 0.36 118.16 120.86 1n5a n LYS 196 Ca 0.12 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 1n5a n LYS 196 Cb 0.14 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.69 1n5a n LYS 196 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1n5a n GLY 197 N 4.38 0.70 2.94 0.72 0.00 -1.26 -5.02 105.19 107.66 1n5a n GLY 197 Ca 0.34 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.17 1n5a n GLY 197 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1n5a s GLU 198 N -0.30 0.74 0.08 1.61 2.02 0.16 -2.48 118.70 120.52 1n5a s GLU 198 Ca 0.00 -0.18 0.06 0.00 0.02 0.00 0.00 54.97 54.87 1n5a s GLU 198 Cb 0.00 -0.73 -0.03 0.00 0.10 0.00 0.00 34.13 33.47 1n5a s GLU 198 CO 0.00 0.03 -0.17 0.14 0.02 0.00 0.00 175.26 175.28 1n5a s VAL 199 N 0.42 1.40 -0.16 2.63 -7.23 0.17 -2.19 120.40 115.44 1n5a s VAL 199 Ca -0.05 -1.35 -0.12 0.00 -1.81 0.00 0.00 61.98 58.64 1n5a s VAL 199 Cb -0.09 -1.29 -0.05 0.00 0.56 0.00 0.00 36.38 35.51 1n5a s VAL 199 CO 0.00 -0.09 0.25 -0.89 -0.31 0.00 0.00 175.10 174.06 1n5a s THR 200 N -1.13 5.33 -0.22 5.32 2.01 0.07 0.02 115.64 127.04 1n5a s THR 200 Ca 0.03 0.45 -0.05 0.00 0.31 0.00 0.00 61.69 62.42 1n5a s THR 200 Cb -0.10 -3.58 -0.02 0.00 0.01 0.00 0.00 72.50 68.81 1n5a s THR 200 CO 0.03 0.43 0.01 -0.76 -0.69 0.00 0.00 174.62 173.64 1n5a s LEU 201 N 0.21 3.22 -0.21 4.42 1.43 -0.55 -1.00 118.68 126.21 1n5a s LEU 201 Ca 0.15 -0.25 -0.03 0.00 -1.03 0.00 0.00 54.13 52.96 1n5a s LEU 201 Cb -0.13 -1.83 -0.01 0.00 0.03 0.00 0.00 46.19 44.25 1n5a s LEU 201 CO 0.03 0.01 -0.06 -0.60 0.23 0.00 0.00 176.35 175.96 1n5a s ARG 202 N 1.33 3.36 -0.31 1.70 6.06 -0.49 -1.90 118.95 128.70 1n5a s ARG 202 Ca 0.04 -0.64 -0.14 0.00 -2.50 0.00 0.00 55.73 52.50 1n5a s ARG 202 Cb -0.15 -2.95 -0.03 0.00 0.06 0.00 0.00 34.95 31.89 1n5a s ARG 202 CO 0.01 -0.16 0.29 0.00 -2.50 0.00 0.00 175.30 172.94 1n5a s TRP 204 N 1.89 3.35 -0.12 0.00 0.52 0.13 -2.06 118.94 122.66 1n5a s TRP 204 Ca 0.10 0.31 -0.01 0.00 0.02 0.00 0.00 56.10 56.52 1n5a s TRP 204 Cb -0.16 -1.83 0.03 0.00 -1.15 0.00 0.00 33.47 30.36 1n5a s TRP 204 CO 0.11 0.59 -0.03 0.00 0.02 0.00 0.00 176.95 177.63 1n5a s ALA 205 N -1.03 1.11 0.17 0.98 0.00 -0.04 -2.37 121.76 120.59 1n5a s ALA 205 Ca 0.17 -0.49 0.08 0.00 0.00 0.00 0.00 51.96 51.72 1n5a s ALA 205 Cb -0.12 -0.94 -0.04 0.00 0.00 0.00 0.00 23.12 22.02 1n5a s ALA 205 CO 0.06 -0.61 -0.18 -0.51 0.00 0.00 0.00 175.76 174.53 1n5a s LEU 206 N 1.80 2.45 -1.47 0.00 1.43 -0.88 -1.22 118.68 120.80 1n5a s LEU 206 Ca 0.03 -0.88 -0.11 0.00 -1.03 0.00 0.00 54.13 52.15 1n5a s LEU 206 Cb -0.14 -0.81 0.05 0.00 0.03 0.00 0.00 46.19 45.33 1n5a s LEU 206 CO -0.07 -0.05 0.94 0.61 0.23 0.00 0.00 176.35 178.01 1n5a n GLY 207 N 0.21 -0.52 3.81 -3.19 0.00 -0.92 -2.27 105.19 102.31 1n5a n GLY 207 Ca -0.13 0.19 -0.23 0.00 0.00 0.00 0.00 46.02 45.86 1n5a n GLY 207 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1n5a s PHE 208 N -3.25 3.08 -0.19 1.61 -0.12 -1.18 -4.48 117.98 113.46 1n5a s PHE 208 Ca 0.57 -0.11 -0.16 0.00 -0.05 0.00 0.00 56.93 57.18 1n5a s PHE 208 Cb -0.27 -1.40 0.05 0.00 -0.63 0.00 0.00 43.02 40.77 1n5a s PHE 208 CO 0.70 0.53 0.50 -0.47 -0.05 0.00 0.00 175.22 176.43 1n5a s TYR 209 N -2.09 -0.58 1.09 3.49 5.04 0.37 -0.83 117.35 123.84 1n5a s TYR 209 Ca 0.32 1.37 -0.17 0.00 -2.44 0.00 0.00 57.07 56.15 1n5a s TYR 209 Cb -0.08 0.22 0.24 0.00 0.35 0.00 0.00 41.96 42.69 1n5a s TYR 209 CO 0.24 -0.28 1.19 -2.14 -1.34 0.00 0.00 175.55 173.21 1n5a s PRO 210 N 0.46 -0.33 0.43 4.97 0.02 -1.26 -0.92 135.00 138.36 1n5a s PRO 210 Ca -0.02 -0.14 0.09 0.00 0.02 0.00 0.00 61.00 60.95 1n5a s PRO 210 Cb -0.04 -1.71 0.92 0.00 0.02 0.00 0.00 34.50 33.70 1n5a s PRO 210 CO -0.02 -3.11 2.07 0.00 -0.33 0.00 0.00 177.00 175.62 1n5a h ALA 211 N -2.14 1.75 -2.29 -1.55 0.00 -1.96 -3.44 119.26 109.63 1n5a h ALA 211 Ca -0.45 -0.03 -0.57 0.00 0.00 0.00 0.00 54.91 53.86 1n5a h ALA 211 Cb 1.28 -0.14 0.04 0.00 0.00 0.00 0.00 17.79 18.97 1n5a h ALA 211 CO 0.39 0.23 1.01 -0.25 0.00 0.00 0.00 179.25 180.63 1n5a n ASP 212 N -4.48 3.58 -3.58 0.00 9.92 -1.26 -4.94 116.55 115.78 1n5a n ASP 212 Ca 0.02 1.01 -0.10 0.00 -0.53 0.00 0.00 54.79 55.19 1n5a n ASP 212 Cb 0.07 -1.46 -0.02 0.00 -0.64 0.00 0.00 41.12 39.07 1n5a n ASP 212 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 1n5a s ILE 213 N 2.57 0.00 -0.02 0.53 2.07 -1.26 -4.64 121.20 120.45 1n5a s ILE 213 Ca 0.84 -0.35 -0.02 0.00 -1.41 0.00 0.00 60.65 59.71 1n5a s ILE 213 Cb -0.60 -1.35 0.01 0.00 0.13 0.00 0.00 42.46 40.64 1n5a s ILE 213 CO 0.42 0.00 0.05 -0.89 -1.91 0.00 0.00 174.94 172.61 1n5a s THR 214 N -3.80 -0.01 0.02 4.00 2.01 -0.84 -5.02 115.64 112.00 1n5a s THR 214 Ca 0.05 0.02 0.04 0.00 0.31 0.00 0.00 61.69 62.11 1n5a s THR 214 Cb -0.03 -0.08 -0.02 0.00 0.01 0.00 0.00 72.50 72.38 1n5a s THR 214 CO -0.06 0.01 -0.13 -0.76 -0.69 0.00 0.00 174.62 172.99 1n5a s LEU 215 N 0.13 2.13 0.04 4.42 1.02 -1.26 -1.78 118.68 123.38 1n5a s LEU 215 Ca -0.01 -0.38 -0.04 0.00 0.02 0.00 0.00 54.13 53.72 1n5a s LEU 215 Cb -0.02 -0.57 -0.02 0.00 0.02 0.00 0.00 46.19 45.60 1n5a s LEU 215 CO -0.00 0.05 0.05 0.42 0.02 0.00 0.00 176.35 176.89 1n5a s THR 216 N -0.70 0.14 -0.54 5.49 -4.23 -0.88 -4.97 115.64 109.96 1n5a s THR 216 Ca 0.02 -1.19 0.01 0.00 -1.18 0.00 0.00 61.69 59.35 1n5a s THR 216 Cb -0.07 -0.89 0.14 0.00 1.34 0.00 0.00 72.50 73.02 1n5a s THR 216 CO 0.01 -0.66 0.30 0.26 -0.54 0.00 0.00 174.62 173.99 1n5a s TRP 217 N -2.63 3.33 -0.63 3.99 0.52 -1.26 -0.47 118.94 121.79 1n5a s TRP 217 Ca -0.05 -2.97 -0.28 0.00 0.02 0.00 0.00 56.10 52.83 1n5a s TRP 217 Cb -0.01 -2.98 0.02 0.00 -1.15 0.00 0.00 33.47 29.35 1n5a s TRP 217 CO -0.05 -0.80 1.34 -0.65 0.02 0.00 0.00 176.95 176.81 1n5a s GLN 218 N -0.06 3.28 0.00 4.98 -0.21 0.81 -3.94 119.66 124.53 1n5a s GLN 218 Ca 0.16 0.17 0.00 0.00 0.02 0.00 0.00 55.36 55.71 1n5a s GLN 218 Cb -0.23 -4.13 0.00 0.00 1.00 0.00 0.00 33.01 29.65 1n5a s GLN 218 CO -0.02 -1.99 0.16 -0.11 -2.12 0.00 0.00 175.29 171.21 1n5a n LEU 219 N 9.41 0.00 0.00 2.90 7.94 -1.26 -1.79 117.00 134.20 1n5a n LEU 219 Ca 0.09 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.99 1n5a n LEU 219 Cb 0.49 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.44 1n5a n LEU 219 CO 0.71 0.00 0.00 0.59 -1.11 0.00 0.00 177.39 177.58 1n5a n ASN 220 N -0.65 -0.15 -3.65 1.96 5.03 -1.25 -4.18 115.26 112.37 1n5a n ASN 220 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 1n5a n ASN 220 Cb 0.00 -0.22 0.00 0.00 -1.02 0.00 0.00 39.78 38.54 1n5a n ASN 220 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1n5a n GLY 221 N -2.03 -2.03 0.24 7.41 0.00 -1.26 -4.91 105.19 102.60 1n5a n GLY 221 Ca 0.00 -1.24 0.08 0.00 0.00 0.00 0.00 46.02 44.86 1n5a n GLY 221 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1n5a n GLU 222 N 0.00 1.62 -3.69 1.61 2.13 -1.26 -4.88 120.64 116.17 1n5a n GLU 222 Ca 0.00 -0.51 -0.11 0.00 0.66 0.00 0.00 57.16 57.20 1n5a n GLU 222 Cb 0.00 -1.29 -0.09 0.00 0.27 0.00 0.00 31.44 30.32 1n5a n GLU 222 CO 0.00 0.00 0.00 -1.83 -0.41 0.00 0.00 177.13 174.89 1n5a s GLU 223 N -2.21 0.54 -0.16 5.31 -1.05 -1.26 -4.90 118.70 114.97 1n5a s GLU 223 Ca 0.11 0.83 -0.04 0.00 -0.15 0.00 0.00 54.97 55.72 1n5a s GLU 223 Cb 0.13 0.14 0.07 0.00 -0.44 0.00 0.00 34.13 34.03 1n5a s GLU 223 CO 0.52 -0.12 0.13 -1.17 0.95 0.00 0.00 175.26 175.58 1n5a s LEU 224 N 0.96 0.14 0.00 1.83 2.96 -1.25 -4.73 118.68 118.58 1n5a s LEU 224 Ca -0.06 -0.33 0.00 0.00 -0.22 0.00 0.00 54.13 53.53 1n5a s LEU 224 Cb -0.06 0.01 0.00 0.00 0.50 0.00 0.00 46.19 46.65 1n5a s LEU 224 CO -0.08 -0.32 0.76 0.41 -1.32 0.00 0.00 176.35 175.79 1n5a n THR 225 N 5.30 0.57 -1.50 3.68 -1.04 -1.26 -4.46 114.28 115.57 1n5a n THR 225 Ca -0.06 -0.66 -0.13 0.00 -2.04 0.00 0.00 64.05 61.16 1n5a n THR 225 Cb 0.49 0.77 -0.10 0.00 -1.82 0.00 0.00 70.33 69.68 1n5a n THR 225 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 1n5a n GLN 226 N -0.29 0.26 -4.04 -2.82 0.00 -1.26 -3.49 117.38 105.75 1n5a n GLN 226 Ca 0.00 -0.98 -0.30 0.00 -0.00 0.00 0.00 57.00 55.73 1n5a n GLN 226 Cb 0.26 -3.19 -0.08 0.00 0.00 0.00 0.00 30.24 27.23 1n5a n GLN 226 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 1n5a n ASP 227 N 16.20 0.00 -4.70 1.69 2.03 -1.26 -4.81 116.55 125.70 1n5a n ASP 227 Ca 0.42 -1.07 -0.42 0.00 0.52 0.00 0.00 54.79 54.25 1n5a n ASP 227 Cb 0.42 -1.34 -0.03 0.00 -0.72 0.00 0.00 41.12 39.45 1n5a n ASP 227 CO 0.00 0.00 0.00 -0.32 -1.92 0.00 0.00 177.20 174.96 1n5a s MET 228 N -6.54 4.30 -0.21 -0.67 -2.45 -1.23 -4.86 119.30 107.65 1n5a s MET 228 Ca 0.24 2.02 -0.11 0.00 -1.25 0.00 0.00 55.69 56.60 1n5a s MET 228 Cb -0.14 -3.41 -0.05 0.00 1.25 0.00 0.00 34.83 32.47 1n5a s MET 228 CO 0.85 -0.50 0.16 -2.00 1.05 0.00 0.00 175.02 174.58 1n5a s GLU 229 N 1.74 4.16 0.00 4.11 2.12 -0.66 -4.90 118.70 125.27 1n5a s GLU 229 Ca 0.64 -0.19 0.00 0.00 0.36 0.00 0.00 54.97 55.78 1n5a s GLU 229 Cb -0.34 -3.46 0.00 0.00 0.26 0.00 0.00 34.13 30.59 1n5a s GLU 229 CO 0.29 0.22 0.00 1.47 -0.54 0.00 0.00 175.26 176.69 1n5a n LEU 230 N 3.77 0.00 -3.80 2.70 -0.00 -1.26 0.13 117.00 118.55 1n5a n LEU 230 Ca -0.15 0.00 -0.12 0.00 -0.00 0.00 0.00 56.01 55.74 1n5a n LEU 230 Cb 0.52 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.86 1n5a n LEU 230 CO 0.37 0.00 -0.03 0.68 -0.00 0.00 0.00 177.39 178.40 1n5a s VAL 231 N -0.76 0.08 0.53 1.47 -7.23 -1.09 -4.97 120.40 108.44 1n5a s VAL 231 Ca 0.00 -0.68 -0.21 0.00 -1.81 0.00 0.00 61.98 59.27 1n5a s VAL 231 Cb 0.00 -0.78 -0.06 0.00 0.56 0.00 0.00 36.38 36.10 1n5a s VAL 231 CO 0.00 -0.38 1.16 -0.62 -0.31 0.00 0.00 175.10 174.95 1n5a n GLU 232 N 0.92 1.39 -1.85 4.82 -0.58 -1.26 -4.64 120.64 119.43 1n5a n GLU 232 Ca -0.20 0.51 -0.42 0.00 -0.42 0.00 0.00 57.16 56.63 1n5a n GLU 232 Cb 0.58 -2.33 -0.03 0.00 -0.57 0.00 0.00 31.44 29.09 1n5a n GLU 232 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1n5a s THR 233 N -1.35 2.38 0.21 2.62 2.01 -1.26 -4.87 115.64 115.38 1n5a s THR 233 Ca 0.71 0.28 0.11 0.00 0.31 0.00 0.00 61.69 63.10 1n5a s THR 233 Cb -0.45 -3.18 -0.05 0.00 0.01 0.00 0.00 72.50 68.84 1n5a s THR 233 CO 0.51 0.02 -0.22 0.00 -0.69 0.00 0.00 174.62 174.23 1n5a s ARG 234 N 1.06 1.54 0.27 4.92 1.04 -0.57 -4.94 118.95 122.26 1n5a s ARG 234 Ca 0.71 -1.58 -0.30 0.00 -1.04 0.00 0.00 55.73 53.52 1n5a s ARG 234 Cb -0.46 -1.78 -0.10 0.00 -2.04 0.00 0.00 34.95 30.57 1n5a s ARG 234 CO 0.32 0.37 1.45 -2.14 -0.04 0.00 0.00 175.30 175.26 1n5a s PRO 235 N -2.92 4.25 0.18 3.89 0.02 -1.26 -0.68 135.00 138.48 1n5a s PRO 235 Ca 0.23 2.34 0.23 0.00 0.02 0.00 0.00 61.00 63.82 1n5a s PRO 235 Cb -0.07 -3.09 0.21 0.00 0.02 0.00 0.00 34.50 31.57 1n5a s PRO 235 CO 0.11 -0.43 1.24 0.00 -0.33 0.00 0.00 177.00 177.58 1n5a h ALA 236 N 4.81 0.58 0.00 -1.55 0.00 -1.04 -3.45 119.26 118.61 1n5a h ALA 236 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1n5a h ALA 236 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1n5a h ALA 236 CO 0.76 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.42 1n5a n GLY 237 N 1.25 0.22 1.01 0.00 0.00 -1.26 -4.91 105.19 101.51 1n5a n GLY 237 Ca 0.02 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.13 1n5a n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1n5a n ASP 238 N 0.00 3.47 0.00 1.61 5.75 -1.26 -4.92 116.55 121.20 1n5a n ASP 238 Ca 0.00 -2.00 0.00 0.00 -0.01 0.00 0.00 54.79 52.78 1n5a n ASP 238 Cb 0.00 -0.37 0.00 0.00 -1.03 0.00 0.00 41.12 39.72 1n5a n ASP 238 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1n5a n GLY 239 N 1.10 2.28 3.94 6.12 0.00 -1.26 -5.07 105.19 112.30 1n5a n GLY 239 Ca 0.18 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.01 1n5a n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1n5a s THR 240 N -2.58 3.20 0.39 2.61 -4.23 -1.26 -4.84 115.64 108.93 1n5a s THR 240 Ca 0.00 -1.16 0.08 0.00 -1.18 0.00 0.00 61.69 59.42 1n5a s THR 240 Cb 0.00 -3.11 -0.06 0.00 1.34 0.00 0.00 72.50 70.67 1n5a s THR 240 CO 0.00 -0.06 0.05 -0.36 -0.54 0.00 0.00 174.62 173.71 1n5a s PHE 241 N -2.34 2.54 0.06 3.99 0.40 -0.01 -0.40 117.98 122.21 1n5a s PHE 241 Ca 0.49 -0.57 0.02 0.00 -0.60 0.00 0.00 56.93 56.27 1n5a s PHE 241 Cb -0.07 -1.71 -0.03 0.00 0.51 0.00 0.00 43.02 41.72 1n5a s PHE 241 CO 0.30 0.40 -0.07 -0.65 0.70 0.00 0.00 175.22 175.89 1n5a s GLN 242 N -3.76 0.60 0.22 0.44 -0.21 0.14 -2.17 119.66 114.93 1n5a s GLN 242 Ca 0.36 -0.90 -0.21 0.00 0.02 0.00 0.00 55.36 54.63 1n5a s GLN 242 Cb 0.05 -0.25 0.04 0.00 1.00 0.00 0.00 33.01 33.85 1n5a s GLN 242 CO 0.19 0.03 0.64 0.21 -2.12 0.00 0.00 175.29 174.24 1n5a s LYS 243 N -2.17 1.54 -0.10 2.91 2.20 -0.36 -1.52 119.74 122.25 1n5a s LYS 243 Ca -0.05 -0.80 -0.30 0.00 -0.36 0.00 0.00 55.97 54.46 1n5a s LYS 243 Cb -0.06 0.58 0.11 0.00 -1.51 0.00 0.00 37.83 36.95 1n5a s LYS 243 CO -0.01 -0.69 0.88 1.67 -0.36 0.00 0.00 175.35 176.84 1n5a s TRP 244 N -3.86 -0.46 -0.02 4.03 1.48 -1.26 -0.86 118.94 118.00 1n5a s TRP 244 Ca 0.08 0.71 -0.03 0.00 -1.06 0.00 0.00 56.10 55.79 1n5a s TRP 244 Cb -0.03 0.45 0.00 0.00 -1.16 0.00 0.00 33.47 32.74 1n5a s TRP 244 CO -0.01 -0.46 0.08 0.00 -4.06 0.00 0.00 176.95 172.49 1n5a s ALA 245 N -1.50 -0.19 0.35 2.67 0.00 -0.87 -2.67 121.76 119.55 1n5a s ALA 245 Ca -0.03 0.08 0.04 0.00 0.00 0.00 0.00 51.96 52.04 1n5a s ALA 245 Cb -0.00 -0.07 -0.03 0.00 0.00 0.00 0.00 23.12 23.01 1n5a s ALA 245 CO 0.02 -0.08 0.14 -1.54 0.00 0.00 0.00 175.76 174.30 1n5a s SER 246 N -0.37 2.13 -0.10 0.00 1.04 0.36 -1.13 113.70 115.62 1n5a s SER 246 Ca -0.04 -1.60 -0.27 0.00 0.48 0.00 0.00 55.95 54.52 1n5a s SER 246 Cb -0.03 0.39 0.06 0.00 0.10 0.00 0.00 66.02 66.55 1n5a s SER 246 CO 0.00 -0.88 0.63 0.54 0.98 0.00 0.00 173.24 174.51 1n5a s VAL 247 N -3.41 0.01 -0.13 5.02 0.11 -0.80 -1.65 120.40 119.55 1n5a s VAL 247 Ca 0.31 -0.06 -0.29 0.00 -2.93 0.00 0.00 61.98 59.02 1n5a s VAL 247 Cb 0.04 -0.93 -0.01 0.00 -1.53 0.00 0.00 36.38 33.95 1n5a s VAL 247 CO 0.17 -0.03 0.98 0.68 -3.33 0.00 0.00 175.10 173.56 1n5a s VAL 248 N -0.76 4.79 0.03 2.04 -7.23 -1.26 -1.48 120.40 116.53 1n5a s VAL 248 Ca -0.08 1.97 0.04 0.00 -1.81 0.00 0.00 61.98 62.10 1n5a s VAL 248 Cb -0.02 -4.28 -0.02 0.00 0.56 0.00 0.00 36.38 32.62 1n5a s VAL 248 CO 0.07 -0.01 -0.13 -0.69 -0.31 0.00 0.00 175.10 174.03 1n5a s VAL 249 N 2.17 1.01 -0.10 1.32 1.01 0.10 -4.96 120.40 120.94 1n5a s VAL 249 Ca 0.46 -0.93 -0.34 0.00 0.00 0.00 0.00 61.98 61.17 1n5a s VAL 249 Cb -0.18 -0.92 -0.11 0.00 0.00 0.00 0.00 36.38 35.17 1n5a s VAL 249 CO 0.15 -0.01 1.91 -2.65 0.00 0.00 0.00 175.10 174.51 1n5a n PRO 250 N 1.98 2.15 -1.62 2.72 -0.02 -1.26 0.45 135.00 139.40 1n5a n PRO 250 Ca -0.18 0.78 -0.45 0.00 -2.02 0.00 0.00 63.50 61.63 1n5a n PRO 250 Cb 0.55 -2.67 -0.02 0.00 -0.02 0.00 0.00 33.50 31.34 1n5a n PRO 250 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1n5a n LEU 251 N 6.96 2.22 0.00 2.45 0.00 -1.04 -1.35 117.00 126.24 1n5a n LEU 251 Ca 0.23 1.17 0.00 0.00 0.00 0.00 0.00 56.01 57.41 1n5a n LEU 251 Cb 0.30 -1.32 0.00 0.00 0.00 0.00 0.00 43.42 42.40 1n5a n LEU 251 CO 0.73 -1.07 0.00 0.61 0.00 0.00 0.00 177.39 177.66 1n5a n GLY 252 N 1.57 2.24 2.36 -3.96 0.00 -1.26 -4.83 105.19 101.31 1n5a n GLY 252 Ca 0.11 -0.39 -0.36 0.00 0.00 0.00 0.00 46.02 45.38 1n5a n GLY 252 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1n5a n LYS 253 N 0.00 3.40 -1.30 1.61 4.76 -0.46 -4.52 118.16 121.65 1n5a n LYS 253 Ca 0.00 -2.05 0.04 0.00 -2.87 0.00 0.00 58.31 53.43 1n5a n LYS 253 Cb 0.00 -2.73 0.07 0.00 -1.84 0.00 0.00 35.03 30.53 1n5a n LYS 253 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 1n5a n GLU 254 N 3.67 0.42 -0.01 1.97 0.28 -1.26 -4.49 120.64 121.23 1n5a n GLU 254 Ca 0.72 -2.35 0.01 0.00 -0.16 0.00 0.00 57.16 55.39 1n5a n GLU 254 Cb 0.22 -0.42 -0.03 0.00 1.43 0.00 0.00 31.44 32.64 1n5a n GLU 254 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1n5a n GLN 255 N 0.09 1.22 0.00 3.44 1.13 -1.26 -4.40 117.38 117.60 1n5a n GLN 255 Ca 0.09 -0.02 0.00 0.00 -1.94 0.00 0.00 57.00 55.13 1n5a n GLN 255 Cb 1.03 -1.09 0.00 0.00 0.11 0.00 0.00 30.24 30.29 1n5a n GLN 255 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 1n5a n ASN 256 N -1.80 1.50 -4.06 1.08 6.94 -1.26 -4.48 115.26 113.17 1n5a n ASN 256 Ca -0.02 -1.98 -0.32 0.00 -0.02 0.00 0.00 54.58 52.24 1n5a n ASN 256 Cb 0.27 -0.50 -0.15 0.00 -2.36 0.00 0.00 39.78 37.04 1n5a n ASN 256 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1n5a s TYR 257 N -0.74 2.93 0.08 -2.53 2.02 -1.26 -3.93 117.35 113.92 1n5a s TYR 257 Ca 0.00 -1.98 0.10 0.00 -0.37 0.00 0.00 57.07 54.82 1n5a s TYR 257 Cb 0.00 -1.86 -0.03 0.00 -0.40 0.00 0.00 41.96 39.67 1n5a s TYR 257 CO 0.00 -0.83 -0.25 0.99 -1.57 0.00 0.00 175.55 173.89 1n5a s THR 258 N 1.22 2.30 -0.03 -0.71 2.01 -0.74 -4.58 115.64 115.11 1n5a s THR 258 Ca -0.04 -1.53 0.00 0.00 0.31 0.00 0.00 61.69 60.44 1n5a s THR 258 Cb -0.17 -1.97 -0.03 0.00 0.01 0.00 0.00 72.50 70.34 1n5a s THR 258 CO -0.08 0.23 -0.00 0.00 -0.69 0.00 0.00 174.62 174.08 1n5a s ARG 260 N -1.28 1.87 -0.27 0.00 1.81 0.38 -1.91 118.95 119.56 1n5a s ARG 260 Ca 0.17 -0.79 0.01 0.00 -1.72 0.00 0.00 55.73 53.40 1n5a s ARG 260 Cb -0.11 -1.76 0.08 0.00 -0.45 0.00 0.00 34.95 32.70 1n5a s ARG 260 CO 0.07 0.45 0.00 0.08 -0.68 0.00 0.00 175.30 175.22 1n5a s VAL 261 N -0.43 1.50 -0.27 3.52 1.01 -0.41 -2.08 120.40 123.25 1n5a s VAL 261 Ca 0.06 -1.45 -0.11 0.00 0.00 0.00 0.00 61.98 60.48 1n5a s VAL 261 Cb -0.09 -1.91 -0.05 0.00 0.00 0.00 0.00 36.38 34.32 1n5a s VAL 261 CO -0.00 -0.32 0.19 -0.31 0.00 0.00 0.00 175.10 174.66 1n5a s TYR 262 N 1.36 3.25 -0.00 5.22 1.51 -0.73 -1.13 117.35 126.82 1n5a s TYR 262 Ca 0.01 0.17 -0.17 0.00 -1.01 0.00 0.00 57.07 56.07 1n5a s TYR 262 Cb -0.18 -2.36 0.03 0.00 -0.11 0.00 0.00 41.96 39.33 1n5a s TYR 262 CO -0.10 -0.10 0.36 -1.58 -1.11 0.00 0.00 175.55 173.01 1n5a s HIS 263 N 1.58 -0.23 -1.14 2.71 2.46 -1.26 -2.00 115.29 117.41 1n5a s HIS 263 Ca 0.08 0.31 -0.10 0.00 0.47 0.00 0.00 55.06 55.81 1n5a s HIS 263 Cb -0.15 0.14 0.25 0.00 -0.13 0.00 0.00 32.58 32.69 1n5a s HIS 263 CO 0.09 -0.45 1.23 -1.91 -2.47 0.00 0.00 174.74 171.23 1n5a n GLU 264 N 1.05 3.55 0.00 2.88 2.13 -1.26 -3.28 120.64 125.70 1n5a n GLU 264 Ca -0.21 -4.30 0.00 0.00 0.66 0.00 0.00 57.16 53.32 1n5a n GLU 264 Cb 0.57 -2.68 0.00 0.00 0.27 0.00 0.00 31.44 29.60 1n5a n GLU 264 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1n5a n GLY 265 N 2.96 0.00 2.78 8.31 0.00 -1.26 -4.93 105.19 113.05 1n5a n GLY 265 Ca 0.28 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.07 1n5a n GLY 265 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1n5a s LEU 266 N 0.00 0.62 0.22 0.99 2.96 -1.21 -4.56 118.68 117.71 1n5a s LEU 266 Ca 0.00 -0.08 -0.16 0.00 -0.22 0.00 0.00 54.13 53.67 1n5a s LEU 266 Cb 0.00 -0.43 0.25 0.00 0.50 0.00 0.00 46.19 46.51 1n5a s LEU 266 CO 0.00 -0.19 1.58 -0.65 -1.32 0.00 0.00 176.35 175.77 1n5a h PRO 267 N 8.26 -0.05 -3.45 0.98 0.11 -1.98 -3.44 132.00 132.43 1n5a h PRO 267 Ca -0.21 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.81 1n5a h PRO 267 Cb 1.13 0.01 -0.16 0.00 0.11 0.00 0.00 31.00 32.08 1n5a h PRO 267 CO 0.27 -0.03 -0.30 -1.21 -0.21 0.00 0.00 178.00 176.51 1n5a s GLU 268 N -6.07 0.79 0.58 1.05 2.02 -1.26 -5.13 118.70 110.67 1n5a s GLU 268 Ca -0.14 -0.61 -0.18 0.00 0.02 0.00 0.00 54.97 54.06 1n5a s GLU 268 Cb 0.20 0.33 -0.09 0.00 0.10 0.00 0.00 34.13 34.67 1n5a s GLU 268 CO 0.72 -0.25 0.41 -2.30 0.02 0.00 0.00 175.26 173.87 1n5a n PRO 269 N 0.50 0.41 -3.41 0.39 -0.02 -1.26 -4.92 135.00 126.68 1n5a n PRO 269 Ca -0.18 0.16 -0.32 0.00 -2.02 0.00 0.00 63.50 61.14 1n5a n PRO 269 Cb 0.60 -1.59 -0.05 0.00 -0.02 0.00 0.00 33.50 32.43 1n5a n PRO 269 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1n5a s LEU 270 N 1.40 4.19 -0.10 2.45 2.01 -0.29 -4.86 118.68 123.49 1n5a s LEU 270 Ca 0.66 0.94 -0.01 0.00 0.01 0.00 0.00 54.13 55.74 1n5a s LEU 270 Cb -0.44 -3.61 0.03 0.00 0.01 0.00 0.00 46.19 42.17 1n5a s LEU 270 CO 0.57 -0.04 -0.05 -0.89 1.01 0.00 0.00 176.35 176.95 1n5a s THR 271 N -1.76 0.79 0.08 5.49 2.01 -1.26 -1.28 115.64 119.70 1n5a s THR 271 Ca 0.46 -0.14 -0.05 0.00 0.31 0.00 0.00 61.69 62.27 1n5a s THR 271 Cb -0.12 -0.86 -0.02 0.00 0.01 0.00 0.00 72.50 71.52 1n5a s THR 271 CO 0.21 0.33 0.09 -0.76 -0.69 0.00 0.00 174.62 173.80 1n5a s LEU 272 N 1.79 1.88 0.00 4.42 1.43 -0.80 -4.98 118.68 122.42 1n5a s LEU 272 Ca 0.05 -0.85 0.00 0.00 -1.03 0.00 0.00 54.13 52.30 1n5a s LEU 272 Cb -0.12 0.64 0.00 0.00 0.03 0.00 0.00 46.19 46.73 1n5a s LEU 272 CO -0.07 -0.68 0.00 -2.11 0.23 0.00 0.00 176.35 173.72 1n5a n ARG 273 N 0.00 1.39 -2.90 1.70 0.00 -1.26 -0.17 116.66 115.41 1n5a n ARG 273 Ca -0.14 0.00 -0.33 0.00 -0.00 0.00 0.00 57.85 57.39 1n5a n ARG 273 Cb 0.62 0.00 -0.07 0.00 -0.00 0.00 0.00 32.46 33.01 1n5a n ARG 273 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.63 177.17 1n5a s TRP 274 N -0.99 3.33 -0.29 2.89 -0.00 -1.26 -4.68 118.94 117.93 1n5a s TRP 274 Ca 0.00 1.48 0.04 0.00 -0.00 0.00 0.00 56.10 57.62 1n5a s TRP 274 Cb 0.00 -2.75 0.20 0.00 -0.00 0.00 0.00 33.47 30.92 1n5a s TRP 274 CO 0.00 -0.06 0.61 -1.83 -0.00 0.00 0.00 176.95 175.67 1n5a s GLU 275 N -3.16 0.55 0.00 5.86 -1.05 -1.26 -5.08 118.70 114.56 1n5a s GLU 275 Ca 0.59 0.62 0.00 0.00 -0.15 0.00 0.00 54.97 56.03 1n5a s GLU 275 Cb -0.09 0.30 0.00 0.00 -0.44 0.00 0.00 34.13 33.90 1n5a s GLU 275 CO 0.15 -0.94 0.00 -2.30 0.95 0.00 0.00 175.26 173.12