#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n5a s HIS 3 N 0.00 1.48 0.08 6.00 3.76 0.34 -4.92 115.29 122.03 1n5a s HIS 3 Ca 0.00 -1.30 -0.26 0.00 -0.15 0.00 0.00 55.06 53.34 1n5a s HIS 3 Cb 0.00 -0.80 0.08 0.00 1.11 0.00 0.00 32.58 32.97 1n5a s HIS 3 CO 0.00 -0.48 0.85 -1.54 -0.85 0.00 0.00 174.74 172.72 1n5a s SER 4 N -3.30 -0.34 0.01 1.40 1.04 -1.26 0.15 113.70 111.39 1n5a s SER 4 Ca 0.37 -0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.67 1n5a s SER 4 Cb 0.07 0.47 -0.01 0.00 0.10 0.00 0.00 66.02 66.64 1n5a s SER 4 CO 0.15 -0.79 -0.02 -0.32 0.98 0.00 0.00 173.24 173.24 1n5a s MET 5 N -3.31 0.19 0.03 4.02 1.75 -0.34 -0.48 119.30 121.15 1n5a s MET 5 Ca 0.07 -0.33 -0.10 0.00 -1.25 0.00 0.00 55.69 54.08 1n5a s MET 5 Cb -0.01 0.02 0.01 0.00 2.84 0.00 0.00 34.83 37.69 1n5a s MET 5 CO -0.06 -0.02 0.20 1.03 -0.65 0.00 0.00 175.02 175.52 1n5a s ARG 6 N -0.76 0.65 -0.10 4.11 1.81 0.12 -2.47 118.95 122.31 1n5a s ARG 6 Ca -0.08 -0.52 0.00 0.00 -1.72 0.00 0.00 55.73 53.41 1n5a s ARG 6 Cb -0.05 0.27 0.02 0.00 -0.45 0.00 0.00 34.95 34.74 1n5a s ARG 6 CO -0.00 -0.18 -0.09 0.71 -0.68 0.00 0.00 175.30 175.06 1n5a s TYR 7 N -2.16 1.47 -0.37 -0.53 1.51 0.57 0.47 117.35 118.31 1n5a s TYR 7 Ca -0.08 -0.69 -0.08 0.00 -1.01 0.00 0.00 57.07 55.21 1n5a s TYR 7 Cb -0.03 -1.19 0.05 0.00 -0.11 0.00 0.00 41.96 40.68 1n5a s TYR 7 CO -0.02 -0.46 0.18 -0.06 -1.11 0.00 0.00 175.55 174.08 1n5a s PHE 8 N 1.45 3.29 0.10 2.71 0.40 0.26 -1.83 117.98 124.36 1n5a s PHE 8 Ca 0.00 -1.40 0.04 0.00 -0.60 0.00 0.00 56.93 54.97 1n5a s PHE 8 Cb -0.13 -2.55 -0.04 0.00 0.51 0.00 0.00 43.02 40.81 1n5a s PHE 8 CO -0.05 -0.76 0.10 -1.21 0.70 0.00 0.00 175.22 174.00 1n5a s GLU 9 N 1.43 2.90 -0.00 0.44 2.02 0.07 -0.66 118.70 124.90 1n5a s GLU 9 Ca 0.01 -0.74 -0.05 0.00 0.02 0.00 0.00 54.97 54.21 1n5a s GLU 9 Cb -0.21 -2.71 -0.00 0.00 0.10 0.00 0.00 34.13 31.31 1n5a s GLU 9 CO 0.03 0.54 0.10 0.99 0.02 0.00 0.00 175.26 176.94 1n5a s THR 10 N -1.50 0.08 -0.06 3.63 2.01 0.42 -1.17 115.64 119.05 1n5a s THR 10 Ca 0.30 -0.65 -0.02 0.00 0.31 0.00 0.00 61.69 61.63 1n5a s THR 10 Cb -0.12 -0.36 0.03 0.00 0.01 0.00 0.00 72.50 72.06 1n5a s THR 10 CO 0.23 -0.35 0.04 0.00 -0.69 0.00 0.00 174.62 173.84 1n5a s ALA 11 N -1.21 0.42 -0.06 7.40 0.00 0.12 -1.14 121.76 127.29 1n5a s ALA 11 Ca -0.13 0.03 0.05 0.00 0.00 0.00 0.00 51.96 51.91 1n5a s ALA 11 Cb -0.07 -0.70 -0.02 0.00 0.00 0.00 0.00 23.12 22.33 1n5a s ALA 11 CO 0.01 -0.54 -0.22 0.14 0.00 0.00 0.00 175.76 175.15 1n5a s VAL 12 N 2.10 2.37 -0.06 0.00 -7.23 -0.63 -1.60 120.40 115.35 1n5a s VAL 12 Ca 0.05 -0.96 0.01 0.00 -1.81 0.00 0.00 61.98 59.27 1n5a s VAL 12 Cb -0.12 -1.89 -0.03 0.00 0.56 0.00 0.00 36.38 34.90 1n5a s VAL 12 CO -0.04 0.57 -0.07 -0.94 -0.31 0.00 0.00 175.10 174.31 1n5a s SER 13 N -0.29 4.67 0.14 4.85 1.04 -0.06 -1.37 113.70 122.68 1n5a s SER 13 Ca 0.01 -0.03 0.03 0.00 0.48 0.00 0.00 55.95 56.43 1n5a s SER 13 Cb -0.13 -1.17 -0.04 0.00 0.10 0.00 0.00 66.02 64.78 1n5a s SER 13 CO 0.03 0.35 -0.06 -0.13 0.98 0.00 0.00 173.24 174.40 1n5a s ARG 14 N -0.91 1.01 0.10 4.02 0.52 -1.26 -1.38 118.95 121.04 1n5a s ARG 14 Ca 0.13 -1.44 -0.36 0.00 -0.52 0.00 0.00 55.73 53.54 1n5a s ARG 14 Cb -0.11 -0.40 -0.16 0.00 0.52 0.00 0.00 34.95 34.80 1n5a s ARG 14 CO 0.02 -0.01 1.42 -2.30 0.02 0.00 0.00 175.30 174.46 1n5a n PRO 15 N -0.16 1.43 0.00 3.54 -0.02 -1.19 -2.08 135.00 136.52 1n5a n PRO 15 Ca -0.10 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 1n5a n PRO 15 Cb 0.61 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 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 2.83 1.92 3.65 -1.23 0.00 -1.26 -4.95 105.19 106.15 1n5a n GLY 16 Ca 0.18 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 1n5a n GLY 16 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n5a s LEU 17 N 0.00 4.20 0.46 0.99 1.43 -0.88 -4.87 118.68 120.01 1n5a s LEU 17 Ca 0.00 2.38 0.22 0.00 -1.03 0.00 0.00 54.13 55.70 1n5a s LEU 17 Cb 0.00 -3.53 1.14 0.00 0.03 0.00 0.00 46.19 43.83 1n5a s LEU 17 CO 0.00 -1.22 1.97 -0.08 0.23 0.00 0.00 176.35 177.25 1n5a h GLU 18 N 11.26 0.00 -5.00 1.70 4.81 -1.92 -3.43 114.58 122.00 1n5a h GLU 18 Ca -0.45 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 58.46 1n5a h GLU 18 Cb 1.22 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 30.46 1n5a h GLU 18 CO 0.95 0.21 -0.70 -1.21 -0.73 0.00 0.00 179.01 177.53 1n5a s GLU 19 N -4.18 1.07 0.45 1.92 0.41 -1.26 -5.13 118.70 111.98 1n5a s GLU 19 Ca -0.03 -1.47 -0.07 0.00 -0.41 0.00 0.00 54.97 52.99 1n5a s GLU 19 Cb 0.13 -0.54 -0.05 0.00 -1.78 0.00 0.00 34.13 31.90 1n5a s GLU 19 CO 0.64 0.02 0.78 -1.25 -0.49 0.00 0.00 175.26 174.96 1n5a s PRO 20 N -3.79 3.63 -0.04 0.39 0.04 -1.26 -4.70 135.00 129.27 1n5a s PRO 20 Ca 0.18 0.30 -0.13 0.00 0.04 0.00 0.00 61.00 61.40 1n5a s PRO 20 Cb 0.04 -2.38 -0.05 0.00 0.04 0.00 0.00 34.50 32.14 1n5a s PRO 20 CO 0.01 -0.14 0.33 0.50 0.04 0.00 0.00 177.00 177.75 1n5a s ARG 21 N -4.38 3.82 -0.15 4.56 3.52 -0.47 -4.88 118.95 120.97 1n5a s ARG 21 Ca 0.49 0.25 0.02 0.00 -0.13 0.00 0.00 55.73 56.36 1n5a s ARG 21 Cb -0.10 -3.23 0.01 0.00 -1.56 0.00 0.00 34.95 30.07 1n5a s ARG 21 CO 0.40 0.68 -0.21 -0.47 -0.81 0.00 0.00 175.30 174.89 1n5a s TYR 22 N -0.94 2.71 -0.05 5.12 5.04 -1.26 -1.60 117.35 126.37 1n5a s TYR 22 Ca 0.21 -1.39 0.05 0.00 -2.44 0.00 0.00 57.07 53.51 1n5a s TYR 22 Cb -0.15 -1.85 -0.01 0.00 0.35 0.00 0.00 41.96 40.30 1n5a s TYR 22 CO 0.10 -0.65 -0.22 0.42 -1.34 0.00 0.00 175.55 173.86 1n5a s ILE 23 N 0.94 1.85 -0.00 3.14 1.09 -0.29 -0.99 121.20 126.95 1n5a s ILE 23 Ca -0.04 -0.95 0.06 0.00 -1.10 0.00 0.00 60.65 58.63 1n5a s ILE 23 Cb -0.15 -1.57 -0.02 0.00 -1.06 0.00 0.00 42.46 39.66 1n5a s ILE 23 CO -0.05 0.52 -0.20 -0.55 -0.10 0.00 0.00 174.94 174.57 1n5a s SER 24 N -0.07 2.32 -0.08 3.58 0.15 -0.31 -0.44 113.70 118.85 1n5a s SER 24 Ca -0.04 -0.39 0.01 0.00 0.70 0.00 0.00 55.95 56.22 1n5a s SER 24 Cb -0.13 -0.24 0.02 0.00 -1.71 0.00 0.00 66.02 63.96 1n5a s SER 24 CO 0.03 0.22 -0.07 -0.69 1.20 0.00 0.00 173.24 173.93 1n5a s VAL 25 N -0.53 0.86 0.05 4.45 1.01 0.17 -1.64 120.40 124.77 1n5a s VAL 25 Ca 0.07 -0.25 0.01 0.00 0.00 0.00 0.00 61.98 61.81 1n5a s VAL 25 Cb -0.08 -0.87 -0.04 0.00 0.00 0.00 0.00 36.38 35.40 1n5a s VAL 25 CO -0.00 0.32 0.14 -0.83 0.00 0.00 0.00 175.10 174.73 1n5a s GLY 26 N 1.28 2.11 0.02 4.51 0.00 -0.80 -0.57 107.32 113.86 1n5a s GLY 26 Ca -0.04 -0.89 0.04 0.00 0.00 0.00 0.00 44.72 43.83 1n5a s GLY 26 CO -0.03 -0.84 -0.13 -0.19 0.00 0.00 0.00 173.10 171.91 1n5a s TYR 27 N -1.40 1.15 -0.12 1.90 1.51 0.18 -0.38 117.35 120.19 1n5a s TYR 27 Ca 0.30 -0.30 0.03 0.00 -1.01 0.00 0.00 57.07 56.09 1n5a s TYR 27 Cb -0.13 -0.71 -0.00 0.00 -0.11 0.00 0.00 41.96 41.02 1n5a s TYR 27 CO 0.23 0.01 -0.21 0.08 -1.11 0.00 0.00 175.55 174.55 1n5a s VAL 28 N -0.66 2.31 -1.36 0.71 1.01 -1.01 -0.70 120.40 120.69 1n5a s VAL 28 Ca 0.02 -0.92 -0.16 0.00 0.00 0.00 0.00 61.98 60.92 1n5a s VAL 28 Cb -0.07 -1.92 0.02 0.00 0.00 0.00 0.00 36.38 34.42 1n5a s VAL 28 CO 0.01 0.55 0.30 0.47 0.00 0.00 0.00 175.10 176.43 1n5a n ASP 29 N 3.63 -1.31 -0.56 3.32 8.00 0.36 -1.81 116.55 128.19 1n5a n ASP 29 Ca -0.19 -1.26 -0.07 0.00 0.71 0.00 0.00 54.79 53.97 1n5a n ASP 29 Cb 0.53 -1.54 -0.03 0.00 -0.02 0.00 0.00 41.12 40.05 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 -2.46 -5.31 -4.23 -2.24 3.02 -1.26 -4.98 115.26 97.81 1n5a n ASN 30 Ca -0.22 0.18 -0.33 0.00 -0.03 0.00 0.00 54.58 54.18 1n5a n ASN 30 Cb 0.62 -3.45 -0.16 0.00 -0.61 0.00 0.00 39.78 36.18 1n5a n ASN 30 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1n5a s LYS 31 N -2.41 3.12 0.25 3.52 1.02 -0.75 -5.04 119.74 119.44 1n5a s LYS 31 Ca 0.00 -0.82 -0.31 0.00 0.02 0.00 0.00 55.97 54.86 1n5a s LYS 31 Cb 0.00 -2.47 -0.13 0.00 -0.52 0.00 0.00 37.83 34.71 1n5a s LYS 31 CO 0.00 0.07 1.41 -1.91 -0.92 0.00 0.00 175.35 173.99 1n5a n GLU 32 N 3.87 2.07 0.00 1.68 2.13 -1.26 -2.42 120.64 126.71 1n5a n GLU 32 Ca -0.19 0.74 0.00 0.00 0.66 0.00 0.00 57.16 58.36 1n5a n GLU 32 Cb 0.52 -2.39 0.00 0.00 0.27 0.00 0.00 31.44 29.84 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 1.80 0.00 -4.00 4.31 -1.74 0.49 -4.45 117.46 113.87 1n5a n PHE 33 Ca 0.11 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.91 1n5a n PHE 33 Cb 0.32 0.00 -0.05 0.00 1.52 0.00 0.00 39.48 41.27 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 -0.79 0.00 -0.29 1.97 -7.23 -1.22 -1.51 120.40 111.34 1n5a s VAL 34 Ca 0.00 -1.40 -0.25 0.00 -1.81 0.00 0.00 61.98 58.52 1n5a s VAL 34 Cb 0.00 -2.23 0.15 0.00 0.56 0.00 0.00 36.38 34.87 1n5a s VAL 34 CO 0.00 0.00 1.20 -0.60 -0.31 0.00 0.00 175.10 175.39 1n5a s ARG 35 N -3.96 0.32 -0.00 4.82 3.52 -0.90 -1.91 118.95 120.85 1n5a s ARG 35 Ca 0.22 0.37 0.03 0.00 -0.13 0.00 0.00 55.73 56.23 1n5a s ARG 35 Cb -0.01 0.16 -0.01 0.00 -1.56 0.00 0.00 34.95 33.53 1n5a s ARG 35 CO 0.09 -0.04 -0.10 0.12 -0.81 0.00 0.00 175.30 174.56 1n5a s PHE 36 N 0.11 0.92 -0.17 5.12 2.19 -0.65 0.58 117.98 126.07 1n5a s PHE 36 Ca 0.05 -0.20 -0.05 0.00 0.33 0.00 0.00 56.93 57.06 1n5a s PHE 36 Cb -0.05 -0.58 0.07 0.00 -1.31 0.00 0.00 43.02 41.14 1n5a s PHE 36 CO -0.10 -0.01 0.13 0.34 1.83 0.00 0.00 175.22 177.41 1n5a s ASP 37 N -0.37 2.01 0.66 6.13 -1.08 -1.26 -1.16 116.67 121.61 1n5a s ASP 37 Ca 0.03 -0.47 0.30 0.00 -0.52 0.00 0.00 52.55 51.90 1n5a s ASP 37 Cb -0.04 -0.06 1.65 0.00 -1.46 0.00 0.00 42.92 43.01 1n5a s ASP 37 CO -0.00 -0.34 1.93 0.77 0.52 0.00 0.00 175.17 178.05 1n5a h SER 38 N 8.39 0.00 1.55 -0.34 4.64 -1.45 -1.34 113.55 125.00 1n5a h SER 38 Ca -0.15 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.15 1n5a h SER 38 Cb 1.15 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1n5a h SER 38 CO 0.28 0.00 -0.07 0.44 -0.87 0.00 0.00 176.83 176.61 1n5a h ASP 39 N 0.00 0.00 -4.01 4.97 5.19 -1.95 -3.46 116.42 117.16 1n5a h ASP 39 Ca 0.00 0.00 -0.52 0.00 -0.62 0.00 0.00 57.03 55.89 1n5a h ASP 39 Cb 0.66 0.00 0.20 0.00 0.18 0.00 0.00 39.33 40.37 1n5a h ASP 39 CO -0.00 0.07 -0.02 0.00 -3.12 0.00 0.00 179.24 176.17 1n5a n ALA 40 N -2.12 -1.36 -0.13 3.45 0.00 -0.50 -4.94 120.51 114.91 1n5a n ALA 40 Ca 0.02 -0.58 -0.10 0.00 0.00 0.00 0.00 53.44 52.78 1n5a n ALA 40 Cb 0.47 -2.08 -0.02 0.00 0.00 0.00 0.00 19.45 17.82 1n5a n ALA 40 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1n5a h GLU 41 N -1.81 0.63 -3.06 0.00 4.81 -1.89 -3.34 114.58 109.91 1n5a h GLU 41 Ca -0.43 -0.19 -0.63 0.00 -0.13 0.00 0.00 59.36 57.98 1n5a h GLU 41 Cb 1.27 -0.06 -0.41 0.00 0.63 0.00 0.00 28.75 30.18 1n5a h GLU 41 CO 0.39 0.72 -0.52 -1.71 -0.73 0.00 0.00 179.01 177.15 1n5a n ASN 42 N -4.52 3.19 -4.47 1.04 5.15 -1.26 -5.07 115.26 109.32 1n5a n ASN 42 Ca -0.01 -3.22 -0.53 0.00 -0.60 0.00 0.00 54.58 50.22 1n5a n ASN 42 Cb 0.26 -0.78 -0.08 0.00 -0.53 0.00 0.00 39.78 38.64 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 1.93 0.99 -3.59 1.20 -0.02 -1.25 -4.92 135.00 129.32 1n5a n PRO 43 Ca 0.21 0.29 -0.16 0.00 -2.02 0.00 0.00 63.50 61.81 1n5a n PRO 43 Cb 0.35 -2.29 -0.07 0.00 -0.02 0.00 0.00 33.50 31.48 1n5a n PRO 43 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1n5a s ARG 44 N 5.71 0.94 0.09 -0.52 0.52 -1.26 -5.03 118.95 119.40 1n5a s ARG 44 Ca 1.09 0.10 -0.31 0.00 -0.52 0.00 0.00 55.73 56.09 1n5a s ARG 44 Cb -0.97 0.44 -0.07 0.00 0.52 0.00 0.00 34.95 34.87 1n5a s ARG 44 CO 0.54 -0.29 1.28 0.71 0.02 0.00 0.00 175.30 177.56 1n5a s TYR 45 N -1.29 3.36 0.15 -0.53 2.02 -1.26 -4.41 117.35 115.40 1n5a s TYR 45 Ca -0.12 1.16 0.09 0.00 -0.37 0.00 0.00 57.07 57.83 1n5a s TYR 45 Cb -0.02 -3.53 -0.04 0.00 -0.40 0.00 0.00 41.96 37.97 1n5a s TYR 45 CO 0.08 -1.75 -0.14 -1.21 -1.57 0.00 0.00 175.55 170.96 1n5a s GLU 46 N 1.04 1.90 0.50 -0.62 0.41 0.20 -4.88 118.70 117.24 1n5a s GLU 46 Ca 0.61 -1.26 -0.21 0.00 -0.41 0.00 0.00 54.97 53.71 1n5a s GLU 46 Cb -0.33 -2.11 -0.07 0.00 -1.78 0.00 0.00 34.13 29.84 1n5a s GLU 46 CO 0.30 0.45 1.12 -2.14 -0.49 0.00 0.00 175.26 174.50 1n5a s PRO 47 N -2.53 3.60 0.00 0.39 0.02 -1.26 -2.13 135.00 133.09 1n5a s PRO 47 Ca 0.22 1.61 0.00 0.00 0.02 0.00 0.00 61.00 62.85 1n5a s PRO 47 Cb -0.09 -2.17 0.00 0.00 0.02 0.00 0.00 34.50 32.26 1n5a s PRO 47 CO 0.13 -0.65 0.06 0.54 -0.33 0.00 0.00 177.00 176.75 1n5a n ARG 48 N -0.93 3.15 -4.17 5.54 5.12 -0.57 -4.89 116.66 119.91 1n5a n ARG 48 Ca 0.10 -0.06 -0.17 0.00 -1.93 0.00 0.00 57.85 55.79 1n5a n ARG 48 Cb 0.50 -0.40 -0.12 0.00 -1.16 0.00 0.00 32.46 31.28 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 -0.47 0.91 0.17 7.54 0.00 -1.25 -4.79 121.76 123.88 1n5a s ALA 49 Ca 0.00 -0.82 -0.12 0.00 0.00 0.00 0.00 51.96 51.01 1n5a s ALA 49 Cb 0.00 -0.07 0.08 0.00 0.00 0.00 0.00 23.12 23.13 1n5a s ALA 49 CO 0.00 0.11 1.76 -1.00 0.00 0.00 0.00 175.76 176.63 1n5a h PRO 50 N 4.62 0.85 -0.06 0.00 0.13 -1.95 -2.00 132.00 133.59 1n5a h PRO 50 Ca -0.38 -0.12 0.02 0.00 -0.87 0.00 0.00 66.00 64.65 1n5a h PRO 50 Cb 1.19 -0.16 -0.00 0.00 0.13 0.00 0.00 31.00 32.16 1n5a h PRO 50 CO 0.42 0.68 0.12 0.11 -0.23 0.00 0.00 178.00 179.10 1n5a h TRP 51 N 0.81 0.00 0.00 1.56 5.08 -1.97 -1.27 115.95 120.16 1n5a h TRP 51 Ca 0.21 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.18 1n5a h TRP 51 Cb 0.11 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.27 1n5a h TRP 51 CO -0.00 0.00 0.00 -1.33 -1.28 0.00 0.00 178.44 175.83 1n5a n MET 52 N -3.43 0.21 0.00 0.12 2.81 -0.75 -3.43 117.12 112.64 1n5a n MET 52 Ca -0.01 0.26 0.04 0.00 -1.81 0.00 0.00 57.70 56.18 1n5a n MET 52 Cb 0.20 -1.79 0.24 0.00 -0.71 0.00 0.00 33.22 31.16 1n5a n MET 52 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1n5a n GLU 53 N -2.16 0.19 -0.00 0.03 1.02 -0.48 -2.19 120.64 117.04 1n5a n GLU 53 Ca 0.05 0.12 -0.12 0.00 -0.02 0.00 0.00 57.16 57.19 1n5a n GLU 53 Cb 0.35 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.20 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 0.10 -6.44 3.49 4.20 -1.78 -3.43 115.11 111.25 1n5a h GLN 54 Ca 0.00 -0.02 -0.62 0.00 0.06 0.00 0.00 58.65 58.07 1n5a h GLN 54 Cb 0.05 -0.02 0.07 0.00 0.30 0.00 0.00 27.48 27.88 1n5a h GLN 54 CO 0.00 0.23 0.49 0.39 -0.67 0.00 0.00 178.83 179.27 1n5a n GLU 55 N -4.95 1.61 -1.78 1.46 -0.58 -0.93 -4.95 120.64 110.52 1n5a n GLU 55 Ca -0.06 0.58 -0.28 0.00 -0.42 0.00 0.00 57.16 56.97 1n5a n GLU 55 Cb 0.11 -2.19 0.20 0.00 -0.57 0.00 0.00 31.44 28.99 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 2.34 -1.58 0.25 0.62 0.00 -1.26 -4.90 105.19 100.66 1n5a n GLY 56 Ca 0.15 -1.69 0.03 0.00 0.00 0.00 0.00 46.02 44.50 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 0.15 -0.97 1.61 0.11 -1.98 -1.71 132.00 129.22 1n5a h PRO 57 Ca -0.41 -0.01 0.13 0.00 0.11 0.00 0.00 66.00 65.81 1n5a h PRO 57 Cb 1.15 -0.03 -0.08 0.00 0.11 0.00 0.00 31.00 32.14 1n5a h PRO 57 CO 0.29 0.10 0.61 1.49 -0.21 0.00 0.00 178.00 180.29 1n5a h GLU 58 N 0.16 0.89 0.26 1.05 4.81 -1.99 -0.01 114.58 119.75 1n5a h GLU 58 Ca 0.36 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.53 1n5a h GLU 58 Cb 0.59 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 1n5a h GLU 58 CO -0.54 0.59 -0.20 -0.92 -0.73 0.00 0.00 179.01 177.21 1n5a h TYR 59 N 0.91 -0.53 -0.39 0.92 5.03 -1.67 -0.92 116.97 120.33 1n5a h TYR 59 Ca 0.48 -0.00 -0.10 0.00 2.58 0.00 0.00 58.73 61.70 1n5a h TYR 59 Cb 0.55 0.20 -0.02 0.00 1.55 0.00 0.00 36.73 39.01 1n5a h TYR 59 CO -0.00 -0.31 -0.15 -1.49 -1.32 0.00 0.00 178.16 174.89 1n5a h TRP 60 N -0.47 0.78 0.00 -3.82 4.06 -1.29 -1.47 115.95 113.75 1n5a h TRP 60 Ca -0.02 -0.15 0.02 0.00 2.06 0.00 0.00 58.89 60.81 1n5a h TRP 60 Cb 0.41 -0.20 -0.03 0.00 -1.00 0.00 0.00 29.16 28.34 1n5a h TRP 60 CO -0.12 0.82 -0.15 1.49 -3.56 0.00 0.00 178.44 176.92 1n5a h GLU 61 N 0.64 -0.24 0.39 0.49 4.57 -0.84 -0.53 114.58 119.06 1n5a h GLU 61 Ca 0.10 0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.28 1n5a h GLU 61 Cb 0.62 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.27 1n5a h GLU 61 CO 0.04 -0.16 -0.19 0.00 -1.18 0.00 0.00 179.01 177.53 1n5a h ARG 62 N -0.25 -0.50 -0.90 1.92 3.08 -0.66 -1.65 114.38 115.41 1n5a h ARG 62 Ca 0.05 0.03 0.17 0.00 0.07 0.00 0.00 59.98 60.30 1n5a h ARG 62 Cb 0.31 0.11 -0.07 0.00 0.08 0.00 0.00 29.97 30.40 1n5a h ARG 62 CO -0.14 -0.21 0.58 0.93 -1.07 0.00 0.00 179.97 180.06 1n5a h GLU 63 N -0.78 0.60 -0.22 0.04 4.39 -1.31 -0.22 114.58 117.08 1n5a h GLU 63 Ca -0.05 -0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.62 1n5a h GLU 63 Cb 0.52 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 29.02 1n5a h GLU 63 CO 0.09 0.40 0.11 1.15 -1.16 0.00 0.00 179.01 179.59 1n5a h THR 64 N 0.62 0.99 0.00 1.13 2.02 -0.44 0.17 112.91 117.40 1n5a h THR 64 Ca 0.47 -0.08 -0.03 0.00 0.77 0.00 0.00 66.41 67.54 1n5a h THR 64 Cb 0.87 0.74 -0.00 0.00 -1.74 0.00 0.00 68.15 68.01 1n5a h THR 64 CO -0.22 0.04 -0.13 1.56 0.37 0.00 0.00 175.52 177.15 1n5a h GLN 65 N 0.23 0.00 -0.38 6.66 1.08 -0.17 0.35 115.11 122.88 1n5a h GLN 65 Ca 0.09 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 57.18 1n5a h GLN 65 Cb 0.02 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.44 1n5a h GLN 65 CO -0.06 0.13 -0.19 0.87 -0.95 0.00 0.00 178.83 178.63 1n5a h LYS 66 N 0.00 0.80 0.40 1.46 1.57 -0.19 -1.55 116.57 119.06 1n5a h LYS 66 Ca -0.00 -0.35 -0.01 0.00 -1.87 0.00 0.00 60.65 58.42 1n5a h LYS 66 Cb 0.23 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1n5a h LYS 66 CO 0.02 0.98 -0.27 0.00 -0.57 0.00 0.00 179.45 179.60 1n5a h ALA 67 N 0.80 -0.65 -0.89 3.86 0.00 0.13 0.22 119.26 122.73 1n5a h ALA 67 Ca 0.09 -0.12 0.22 0.00 0.00 0.00 0.00 54.91 55.09 1n5a h ALA 67 Cb 0.74 0.35 -0.06 0.00 0.00 0.00 0.00 17.79 18.82 1n5a h ALA 67 CO 0.06 -0.89 0.60 0.87 0.00 0.00 0.00 179.25 179.90 1n5a h LYS 68 N -0.66 0.29 -0.13 0.00 1.57 -1.05 0.47 116.57 117.05 1n5a h LYS 68 Ca -0.04 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 1n5a h LYS 68 Cb 0.55 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.79 1n5a h LYS 68 CO 0.03 0.19 0.00 0.78 -0.57 0.00 0.00 179.45 179.88 1n5a h GLY 69 N 0.29 0.25 1.00 3.86 0.00 0.14 -2.65 103.07 105.96 1n5a h GLY 69 Ca 0.46 -0.18 -0.02 0.00 0.00 0.00 0.00 47.33 47.59 1n5a h GLY 69 CO -0.14 0.17 0.35 1.46 0.00 0.00 0.00 176.54 178.38 1n5a h GLN 70 N -0.03 0.96 -0.89 4.80 1.08 0.28 -1.39 115.11 119.93 1n5a h GLN 70 Ca 0.04 -0.13 0.07 0.00 -1.45 0.00 0.00 58.65 57.18 1n5a h GLN 70 Cb 0.36 -0.18 -0.06 0.00 -0.05 0.00 0.00 27.48 27.54 1n5a h GLN 70 CO 0.01 0.75 0.55 1.49 -0.95 0.00 0.00 178.83 180.68 1n5a h GLU 71 N 0.94 0.96 -0.62 1.46 4.81 -0.77 0.14 114.58 121.50 1n5a h GLU 71 Ca 0.24 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.32 1n5a h GLU 71 Cb 0.08 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 1n5a h GLU 71 CO -0.03 0.64 0.04 1.96 -0.73 0.00 0.00 179.01 180.89 1n5a h GLN 72 N 0.99 1.07 -0.80 1.92 1.08 -1.06 -1.83 115.11 116.48 1n5a h GLN 72 Ca 0.39 -0.32 0.01 0.00 -1.45 0.00 0.00 58.65 57.28 1n5a h GLN 72 Cb 0.21 -0.11 -0.04 0.00 -0.05 0.00 0.00 27.48 27.49 1n5a h GLN 72 CO -0.19 1.02 0.53 2.35 -0.95 0.00 0.00 178.83 181.60 1n5a h TRP 73 N 0.98 1.01 -0.05 2.96 7.01 0.19 -0.00 115.95 128.04 1n5a h TRP 73 Ca 0.18 0.02 -0.15 0.00 2.11 0.00 0.00 58.89 61.06 1n5a h TRP 73 Cb 0.51 -0.34 -0.01 0.00 -2.10 0.00 0.00 29.16 27.22 1n5a h TRP 73 CO 0.04 0.63 -0.62 0.74 -2.79 0.00 0.00 178.44 176.44 1n5a h PHE 74 N 1.08 0.25 -0.38 2.65 -1.00 -0.68 -1.55 116.94 117.33 1n5a h PHE 74 Ca 0.29 -0.10 -0.08 0.00 2.81 0.00 0.00 57.97 60.89 1n5a h PHE 74 Cb -0.13 -0.04 -0.01 0.00 3.61 0.00 0.00 35.95 39.38 1n5a h PHE 74 CO -0.02 0.76 -0.09 -0.09 -1.61 0.00 0.00 178.31 177.27 1n5a h ARG 75 N 0.14 0.72 -0.56 1.51 2.43 -0.74 0.12 114.38 118.01 1n5a h ARG 75 Ca -0.01 -0.28 -0.09 0.00 -0.81 0.00 0.00 59.98 58.79 1n5a h ARG 75 Cb 1.12 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.61 1n5a h ARG 75 CO 0.09 0.87 -0.03 0.28 -1.51 0.00 0.00 179.97 179.68 1n5a h VAL 76 N 0.53 1.26 -0.19 0.20 2.07 -0.84 -2.86 116.25 116.42 1n5a h VAL 76 Ca 0.10 -1.15 -0.05 0.00 0.82 0.00 0.00 66.70 66.42 1n5a h VAL 76 Cb 0.60 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 1n5a h VAL 76 CO 0.04 0.41 -0.07 0.28 0.02 0.00 0.00 177.57 178.24 1n5a h SER 77 N 0.89 0.39 -0.98 0.57 0.02 -0.98 -1.99 113.55 111.47 1n5a h SER 77 Ca 0.16 -0.40 0.22 0.00 -0.84 0.00 0.00 61.79 60.93 1n5a h SER 77 Cb 0.56 -0.11 -0.09 0.00 0.14 0.00 0.00 62.40 62.90 1n5a h SER 77 CO 0.03 0.70 0.62 -0.07 -1.14 0.00 0.00 176.83 176.97 1n5a h LEU 78 N 0.07 0.57 0.27 5.07 4.07 -0.74 0.32 115.31 124.95 1n5a h LEU 78 Ca 0.04 0.08 -0.01 0.00 0.08 0.00 0.00 57.88 58.07 1n5a h LEU 78 Cb 0.54 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.26 1n5a h LEU 78 CO 0.02 0.19 -0.13 -0.09 -1.08 0.00 0.00 178.44 177.35 1n5a h ARG 79 N 0.55 -0.35 -0.30 1.13 9.65 -1.18 -2.95 114.38 120.93 1n5a h ARG 79 Ca 0.55 0.02 -0.10 0.00 -1.10 0.00 0.00 59.98 59.36 1n5a h ARG 79 Cb 1.15 0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 29.80 1n5a h ARG 79 CO -0.29 -0.18 -0.19 -0.91 2.80 0.00 0.00 179.97 181.20 1n5a h ASN 80 N -0.44 0.68 -0.71 -3.80 2.35 0.21 -2.74 115.58 111.13 1n5a h ASN 80 Ca -0.04 -0.43 0.19 0.00 -0.55 0.00 0.00 56.30 55.47 1n5a h ASN 80 Cb 0.34 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.48 1n5a h ASN 80 CO 0.06 0.96 0.50 -0.07 -1.65 0.00 0.00 177.43 177.24 1n5a h LEU 81 N 0.40 0.08 -0.97 1.61 3.38 -0.79 0.11 115.31 119.13 1n5a h LEU 81 Ca 0.06 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 1n5a h LEU 81 Cb 0.73 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 1n5a h LEU 81 CO 0.05 0.04 0.12 0.25 0.09 0.00 0.00 178.44 178.99 1n5a h LEU 82 N 0.08 0.81 0.15 1.67 5.85 -1.30 -1.28 115.31 121.30 1n5a h LEU 82 Ca 0.34 -0.16 -0.31 0.00 0.84 0.00 0.00 57.88 58.59 1n5a h LEU 82 Cb 1.23 -0.21 0.01 0.00 0.37 0.00 0.00 40.66 42.06 1n5a h LEU 82 CO -0.03 0.81 -1.49 1.23 -0.34 0.00 0.00 178.44 178.61 1n5a h GLY 83 N 0.99 0.37 1.09 3.75 0.00 -0.88 -0.09 103.07 108.30 1n5a h GLY 83 Ca 0.18 -0.96 0.04 0.00 0.00 0.00 0.00 47.33 46.59 1n5a h GLY 83 CO 0.00 0.84 0.52 -0.97 0.00 0.00 0.00 176.54 176.93 1n5a h TYR 84 N 0.09 0.92 -0.33 5.60 0.05 -0.71 -1.87 116.97 120.73 1n5a h TYR 84 Ca -0.24 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.57 1n5a h TYR 84 Cb 2.05 -0.31 0.00 0.00 1.01 0.00 0.00 36.73 39.48 1n5a h TYR 84 CO 0.08 0.53 0.00 0.66 -1.05 0.00 0.00 178.16 178.38 1n5a n TYR 85 N -4.45 0.42 -3.76 4.88 4.01 -0.52 -4.82 117.16 112.91 1n5a n TYR 85 Ca 0.10 -0.21 -0.24 0.00 -0.16 0.00 0.00 57.90 57.40 1n5a n TYR 85 Cb 0.13 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.19 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 1.16 -2.10 -4.65 7.72 5.15 -0.71 -4.92 115.26 116.92 1n5a n ASN 86 Ca 0.18 -0.81 -0.37 0.00 -0.60 0.00 0.00 54.58 52.98 1n5a n ASN 86 Cb 0.53 -3.99 -0.10 0.00 -0.53 0.00 0.00 39.78 35.69 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 -6.17 4.06 0.87 1.20 -0.21 -0.10 -5.04 119.66 114.28 1n5a s GLN 87 Ca 0.18 -0.28 -0.15 0.00 0.02 0.00 0.00 55.36 55.13 1n5a s GLN 87 Cb -0.09 -3.54 0.21 0.00 1.00 0.00 0.00 33.01 30.60 1n5a s GLN 87 CO 0.82 0.05 1.00 0.43 -2.12 0.00 0.00 175.29 175.47 1n5a n SER 88 N 4.31 -0.69 -4.87 5.90 7.64 -1.26 -4.77 113.62 119.89 1n5a n SER 88 Ca -0.15 -1.25 -0.30 0.00 1.01 0.00 0.00 58.87 58.18 1n5a n SER 88 Cb 0.52 -0.82 0.06 0.00 -1.01 0.00 0.00 64.21 62.96 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 -3.60 2.76 0.00 -0.43 0.00 -1.26 -4.42 121.76 114.81 1n5a s ALA 89 Ca 0.60 -0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.24 1n5a s ALA 89 Cb -0.03 -3.04 0.00 0.00 0.00 0.00 0.00 23.12 20.04 1n5a s ALA 89 CO 0.43 -1.26 0.00 0.41 0.00 0.00 0.00 175.76 175.34 1n5a n GLY 90 N -2.81 0.81 3.35 0.00 0.00 -1.26 -5.09 105.19 100.20 1n5a n GLY 90 Ca 0.07 -0.29 -0.28 0.00 0.00 0.00 0.00 46.02 45.52 1n5a n GLY 90 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n5a n GLY 91 N -2.31 3.39 3.86 -0.02 0.00 -1.26 -4.79 105.19 104.04 1n5a n GLY 91 Ca 0.00 -2.34 -0.31 0.00 0.00 0.00 0.00 46.02 43.37 1n5a n GLY 91 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1n5a s SER 92 N -3.65 6.02 -0.05 1.61 0.01 -1.26 -3.16 113.70 113.22 1n5a s SER 92 Ca 0.08 0.17 -0.12 0.00 1.31 0.00 0.00 55.95 57.39 1n5a s SER 92 Cb -0.01 -1.77 0.02 0.00 0.21 0.00 0.00 66.02 64.47 1n5a s SER 92 CO 0.05 0.18 0.27 -1.00 0.41 0.00 0.00 173.24 173.15 1n5a s HIS 93 N -1.43 -0.19 0.04 2.43 0.09 -0.48 -4.97 115.29 110.77 1n5a s HIS 93 Ca 0.32 0.39 0.05 0.00 -0.00 0.00 0.00 55.06 55.82 1n5a s HIS 93 Cb -0.13 0.07 -0.02 0.00 -0.00 0.00 0.00 32.58 32.51 1n5a s HIS 93 CO 0.24 -0.28 -0.15 0.99 -0.00 0.00 0.00 174.74 175.54 1n5a s THR 94 N -0.76 1.21 -0.06 1.30 2.01 -1.26 -0.88 115.64 117.21 1n5a s THR 94 Ca -0.08 -1.04 0.00 0.00 0.31 0.00 0.00 61.69 60.88 1n5a s THR 94 Cb -0.04 -1.09 0.02 0.00 0.01 0.00 0.00 72.50 71.40 1n5a s THR 94 CO 0.02 0.04 -0.03 -0.22 -0.69 0.00 0.00 174.62 173.74 1n5a s LEU 95 N -1.16 1.08 0.15 4.42 2.96 -0.63 -0.82 118.68 124.68 1n5a s LEU 95 Ca 0.03 -0.13 0.07 0.00 -0.22 0.00 0.00 54.13 53.88 1n5a s LEU 95 Cb -0.08 -0.48 -0.04 0.00 0.50 0.00 0.00 46.19 46.09 1n5a s LEU 95 CO 0.01 -0.10 -0.16 -1.10 -1.32 0.00 0.00 176.35 173.68 1n5a s GLN 96 N 1.33 1.15 0.01 1.98 -0.21 0.32 -0.71 119.66 123.53 1n5a s GLN 96 Ca -0.05 -1.34 -0.01 0.00 0.02 0.00 0.00 55.36 53.98 1n5a s GLN 96 Cb -0.13 -1.08 -0.01 0.00 1.00 0.00 0.00 33.01 32.79 1n5a s GLN 96 CO -0.02 0.21 0.01 -1.14 -2.12 0.00 0.00 175.29 172.22 1n5a s GLN 97 N -2.84 0.29 -0.06 2.91 0.74 -0.32 -0.15 119.66 120.23 1n5a s GLN 97 Ca 0.13 -0.45 0.02 0.00 0.05 0.00 0.00 55.36 55.11 1n5a s GLN 97 Cb -0.05 0.11 0.02 0.00 1.10 0.00 0.00 33.01 34.19 1n5a s GLN 97 CO 0.05 -0.05 -0.10 -1.64 -0.55 0.00 0.00 175.29 172.99 1n5a s MET 98 N -1.17 1.51 0.05 1.67 -1.94 -0.61 -0.75 119.30 118.07 1n5a s MET 98 Ca -0.13 -0.34 -0.17 0.00 -1.71 0.00 0.00 55.69 53.34 1n5a s MET 98 Cb -0.08 -1.29 0.03 0.00 2.01 0.00 0.00 34.83 35.50 1n5a s MET 98 CO -0.00 -0.00 0.38 -1.54 -0.01 0.00 0.00 175.02 173.84 1n5a s SER 99 N 0.74 -0.23 0.00 3.03 1.04 -0.76 -1.31 113.70 116.21 1n5a s SER 99 Ca -0.13 -0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.20 1n5a s SER 99 Cb -0.15 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.38 1n5a s SER 99 CO 0.03 -0.68 0.00 0.61 0.98 0.00 0.00 173.24 174.18 1n5a n GLY 100 N 0.42 -1.02 3.09 7.32 0.00 -0.18 -0.31 105.19 114.50 1n5a n GLY 100 Ca -0.18 -1.15 -0.10 0.00 0.00 0.00 0.00 46.02 44.59 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 -1.84 4.31 -0.03 0.00 1.01 -0.27 -1.20 116.67 118.65 1n5a s ASP 102 Ca -0.09 -0.13 0.08 0.00 0.71 0.00 0.00 52.55 53.11 1n5a s ASP 102 Cb -0.04 -1.09 -0.02 0.00 1.01 0.00 0.00 42.92 42.78 1n5a s ASP 102 CO -0.02 0.33 -0.26 -0.76 0.21 0.00 0.00 175.17 174.67 1n5a s LEU 103 N -0.62 2.05 0.00 1.23 1.43 0.39 0.12 118.68 123.28 1n5a s LEU 103 Ca 0.09 -0.47 -0.10 0.00 -1.03 0.00 0.00 54.13 52.62 1n5a s LEU 103 Cb -0.11 -1.33 0.14 0.00 0.03 0.00 0.00 46.19 44.92 1n5a s LEU 103 CO 0.01 0.30 0.65 0.61 0.23 0.00 0.00 176.35 178.16 1n5a n GLY 104 N 2.53 -2.02 0.00 -3.19 0.00 -0.76 -0.50 105.19 101.25 1n5a n GLY 104 Ca -0.16 -1.58 0.05 0.00 0.00 0.00 0.00 46.02 44.34 1n5a n GLY 104 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1n5a n SER 105 N -3.75 0.00 -1.17 1.61 3.41 -1.26 -0.75 113.62 111.71 1n5a n SER 105 Ca 0.09 0.48 0.08 0.00 -0.26 0.00 0.00 58.87 59.26 1n5a n SER 105 Cb 0.31 -0.49 0.26 0.00 -0.26 0.00 0.00 64.21 64.04 1n5a n SER 105 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1n5a n ASP 106 N -1.49 3.40 -0.03 4.04 5.75 -1.26 -4.58 116.55 122.38 1n5a n ASP 106 Ca 0.03 -2.18 -0.00 0.00 -0.01 0.00 0.00 54.79 52.62 1n5a n ASP 106 Cb 0.13 -0.44 -0.00 0.00 -1.03 0.00 0.00 41.12 39.78 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 0.96 -0.00 -2.91 2.11 7.02 0.07 -4.95 117.44 119.74 1n5a n TRP 107 Ca 0.19 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.34 1n5a n TRP 107 Cb 0.60 -2.00 -0.07 0.00 -2.42 0.00 0.00 31.31 27.42 1n5a n TRP 107 CO 0.00 0.00 0.00 0.50 -2.02 0.00 0.00 177.69 176.17 1n5a s ARG 108 N -2.00 4.22 -0.07 -0.99 6.06 -1.26 -4.78 118.95 120.13 1n5a s ARG 108 Ca 0.00 1.02 -0.29 0.00 -2.50 0.00 0.00 55.73 53.96 1n5a s ARG 108 Cb 0.00 -2.37 -0.07 0.00 0.06 0.00 0.00 34.95 32.57 1n5a s ARG 108 CO 0.00 0.09 1.88 -1.17 -2.50 0.00 0.00 175.30 173.60 1n5a s LEU 109 N -2.90 4.16 -0.09 -0.88 2.96 -1.26 -1.83 118.68 118.84 1n5a s LEU 109 Ca 0.57 2.28 -0.04 0.00 -0.22 0.00 0.00 54.13 56.72 1n5a s LEU 109 Cb -0.11 -3.53 -0.27 0.00 0.50 0.00 0.00 46.19 42.78 1n5a s LEU 109 CO 0.16 -1.21 0.50 0.25 -1.32 0.00 0.00 176.35 174.73 1n5a h LEU 110 N 11.43 0.39 -7.00 -0.68 5.85 0.61 -3.47 115.31 122.44 1n5a h LEU 110 Ca -0.43 -0.79 0.12 0.00 0.84 0.00 0.00 57.88 57.61 1n5a h LEU 110 Cb 1.21 -0.13 -0.29 0.00 0.37 0.00 0.00 40.66 41.82 1n5a h LEU 110 CO 0.96 1.70 0.64 -0.60 -0.34 0.00 0.00 178.44 180.79 1n5a s ARG 111 N -2.57 0.32 0.26 1.25 3.52 -1.19 -4.99 118.95 115.54 1n5a s ARG 111 Ca -0.18 0.38 -0.00 0.00 -0.13 0.00 0.00 55.73 55.79 1n5a s ARG 111 Cb 0.07 0.15 -0.04 0.00 -1.56 0.00 0.00 34.95 33.57 1n5a s ARG 111 CO 0.80 -0.04 0.45 0.20 -0.81 0.00 0.00 175.30 175.91 1n5a s GLY 112 N 0.14 1.63 -0.02 8.12 0.00 -1.26 -1.12 107.32 114.82 1n5a s GLY 112 Ca 0.05 -0.85 0.01 0.00 0.00 0.00 0.00 44.72 43.94 1n5a s GLY 112 CO -0.10 -0.79 -0.05 -0.19 0.00 0.00 0.00 173.10 171.97 1n5a s TYR 113 N -2.03 0.56 -0.27 1.90 1.51 0.83 -4.86 117.35 114.98 1n5a s TYR 113 Ca 0.39 -0.11 -0.00 0.00 -1.01 0.00 0.00 57.07 56.33 1n5a s TYR 113 Cb -0.10 -0.43 0.15 0.00 -0.11 0.00 0.00 41.96 41.46 1n5a s TYR 113 CO 0.31 -0.07 0.42 -1.17 -1.11 0.00 0.00 175.55 173.92 1n5a s LEU 114 N 0.30 -0.80 -0.06 -1.29 0.20 -1.25 -1.01 118.68 114.77 1n5a s LEU 114 Ca -0.03 0.05 -0.06 0.00 0.69 0.00 0.00 54.13 54.78 1n5a s LEU 114 Cb -0.07 1.24 0.02 0.00 -0.43 0.00 0.00 46.19 46.94 1n5a s LEU 114 CO -0.00 -0.32 0.17 0.00 -0.29 0.00 0.00 176.35 175.91 1n5a s GLN 115 N 2.58 0.21 0.11 1.98 -2.07 -0.42 -0.85 119.66 121.20 1n5a s GLN 115 Ca 0.12 0.19 0.10 0.00 -1.82 0.00 0.00 55.36 53.95 1n5a s GLN 115 Cb -0.14 0.10 -0.04 0.00 -1.09 0.00 0.00 33.01 31.84 1n5a s GLN 115 CO -0.22 -0.03 -0.25 -0.06 -1.32 0.00 0.00 175.29 173.41 1n5a s PHE 116 N -0.01 2.15 0.09 9.60 0.40 0.47 -1.57 117.98 129.10 1n5a s PHE 116 Ca -0.01 -0.39 0.05 0.00 -0.60 0.00 0.00 56.93 55.97 1n5a s PHE 116 Cb -0.02 -1.18 -0.03 0.00 0.51 0.00 0.00 43.02 42.30 1n5a s PHE 116 CO 0.00 0.28 -0.12 0.00 0.70 0.00 0.00 175.22 176.08 1n5a s ALA 117 N -1.06 1.18 -0.05 5.36 0.00 0.79 -0.64 121.76 127.34 1n5a s ALA 117 Ca 0.12 -1.12 0.03 0.00 0.00 0.00 0.00 51.96 50.99 1n5a s ALA 117 Cb -0.10 -0.04 0.00 0.00 0.00 0.00 0.00 23.12 22.99 1n5a s ALA 117 CO 0.05 0.07 -0.14 -0.47 0.00 0.00 0.00 175.76 175.27 1n5a s TYR 118 N -1.90 1.49 -1.54 0.00 5.04 0.64 -0.52 117.35 120.55 1n5a s TYR 118 Ca 0.03 -0.46 0.00 0.00 -2.44 0.00 0.00 57.07 54.20 1n5a s TYR 118 Cb -0.06 -1.04 0.00 0.00 0.35 0.00 0.00 41.96 41.21 1n5a s TYR 118 CO 0.02 -0.19 0.00 0.39 -1.34 0.00 0.00 175.55 174.42 1n5a n GLU 119 N 3.39 -1.74 -0.38 4.97 -0.58 0.00 -1.06 120.64 125.25 1n5a n GLU 119 Ca -0.20 0.87 0.00 0.00 -0.42 0.00 0.00 57.16 57.41 1n5a n GLU 119 Cb 0.53 -5.38 0.00 0.00 -0.57 0.00 0.00 31.44 26.02 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 -0.68 1.24 3.73 0.62 0.00 -1.26 -4.98 105.19 103.85 1n5a n GLY 120 Ca -0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.37 2.83 0.21 1.61 3.00 -0.22 -5.06 118.95 120.95 1n5a s ARG 121 Ca 0.00 -0.65 -0.32 0.00 0.00 0.00 0.00 55.73 54.76 1n5a s ARG 121 Cb 0.00 -2.70 -0.13 0.00 0.00 0.00 0.00 34.95 32.12 1n5a s ARG 121 CO 0.00 0.60 1.57 -0.25 0.00 0.00 0.00 175.30 177.22 1n5a n ASP 122 N 0.93 3.31 -0.00 0.23 8.00 -1.26 -0.26 116.55 127.50 1n5a n ASP 122 Ca -0.12 1.10 -0.04 0.00 0.71 0.00 0.00 54.79 56.44 1n5a n ASP 122 Cb 0.52 -1.48 -0.01 0.00 -0.02 0.00 0.00 41.12 40.13 1n5a n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1n5a n TYR 123 N 3.00 0.00 -3.68 1.24 9.36 0.19 -4.76 117.16 122.51 1n5a n TYR 123 Ca 0.14 0.00 -0.14 0.00 3.32 0.00 0.00 57.90 61.22 1n5a n TYR 123 Cb 0.32 -0.19 -0.08 0.00 -0.63 0.00 0.00 39.34 38.75 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 -2.29 0.01 0.04 2.97 2.07 -1.14 -4.13 121.20 118.73 1n5a s ILE 124 Ca -0.10 -0.07 0.00 0.00 -1.41 0.00 0.00 60.65 59.07 1n5a s ILE 124 Cb 0.02 -0.75 -0.03 0.00 0.13 0.00 0.00 42.46 41.83 1n5a s ILE 124 CO 0.15 -0.04 -0.04 0.00 -1.91 0.00 0.00 174.94 173.09 1n5a s ALA 125 N -0.19 0.37 -0.15 1.50 0.00 -0.25 -0.40 121.76 122.65 1n5a s ALA 125 Ca -0.04 -0.82 -0.23 0.00 0.00 0.00 0.00 51.96 50.87 1n5a s ALA 125 Cb -0.03 0.15 -0.02 0.00 0.00 0.00 0.00 23.12 23.21 1n5a s ALA 125 CO 0.03 -0.18 0.73 -1.17 0.00 0.00 0.00 175.76 175.17 1n5a s LEU 126 N -1.91 4.21 0.88 0.00 2.96 -0.03 -0.96 118.68 123.82 1n5a s LEU 126 Ca -0.08 1.08 -0.10 0.00 -0.22 0.00 0.00 54.13 54.81 1n5a s LEU 126 Cb -0.05 -3.09 0.12 0.00 0.50 0.00 0.00 46.19 43.67 1n5a s LEU 126 CO -0.03 -0.28 1.12 0.20 -1.32 0.00 0.00 176.35 176.04 1n5a s ASN 127 N 1.07 3.39 0.26 3.68 0.01 0.11 -4.61 114.94 118.84 1n5a s ASN 127 Ca 0.35 1.99 0.19 0.00 -0.71 0.00 0.00 52.86 54.68 1n5a s ASN 127 Cb -0.17 -2.51 0.97 0.00 0.41 0.00 0.00 41.25 39.95 1n5a s ASN 127 CO 0.13 -2.77 1.58 -1.84 -1.51 0.00 0.00 177.10 172.69 1n5a n GLU 128 N -4.01 0.13 0.00 -0.60 0.28 -1.26 -0.18 120.64 115.00 1n5a n GLU 128 Ca 0.10 0.56 0.10 0.00 -0.16 0.00 0.00 57.16 57.76 1n5a n GLU 128 Cb 0.53 -1.87 0.54 0.00 1.43 0.00 0.00 31.44 32.07 1n5a n GLU 128 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1n5a n ASP 129 N -2.13 0.00 -1.58 -1.84 5.75 -1.26 -4.79 116.55 110.69 1n5a n ASP 129 Ca -0.00 -0.32 -0.11 0.00 -0.01 0.00 0.00 54.79 54.35 1n5a n ASP 129 Cb 0.07 -0.14 -0.04 0.00 -1.03 0.00 0.00 41.12 39.98 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 -1.14 -0.88 0.00 -2.12 4.77 0.75 -4.70 117.00 113.68 1n5a n LEU 130 Ca 0.12 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 1n5a n LEU 130 Cb 0.11 -1.85 0.00 0.00 -2.33 0.00 0.00 43.42 39.35 1n5a n LEU 130 CO 0.13 -0.49 -0.34 0.29 -1.33 0.00 0.00 177.39 175.65 1n5a n LYS 131 N -1.99 2.55 -4.42 3.23 5.02 -1.26 -4.60 118.16 116.69 1n5a n LYS 131 Ca -0.12 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 55.92 1n5a n LYS 131 Cb 0.43 -0.84 -0.11 0.00 -0.02 0.00 0.00 35.03 34.48 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 -1.69 2.28 0.11 -0.18 -4.23 -1.26 -4.90 115.64 105.77 1n5a s THR 132 Ca 0.00 -2.15 0.05 0.00 -1.18 0.00 0.00 61.69 58.41 1n5a s THR 132 Cb 0.00 -2.14 -0.04 0.00 1.34 0.00 0.00 72.50 71.66 1n5a s THR 132 CO 0.00 -0.26 0.03 0.26 -0.54 0.00 0.00 174.62 174.11 1n5a s TRP 133 N -2.07 3.03 -0.13 3.99 0.52 -1.26 0.05 118.94 123.07 1n5a s TRP 133 Ca 0.23 -0.02 0.01 0.00 0.02 0.00 0.00 56.10 56.34 1n5a s TRP 133 Cb -0.06 -1.53 -0.01 0.00 -1.15 0.00 0.00 33.47 30.72 1n5a s TRP 133 CO 0.11 0.50 -0.17 0.99 0.02 0.00 0.00 176.95 178.40 1n5a s THR 134 N -1.43 2.69 -0.20 2.01 2.01 -0.13 -4.89 115.64 115.70 1n5a s THR 134 Ca 0.27 -0.78 -0.05 0.00 0.31 0.00 0.00 61.69 61.44 1n5a s THR 134 Cb -0.11 -2.11 0.10 0.00 0.01 0.00 0.00 72.50 70.39 1n5a s THR 134 CO 0.20 0.53 0.36 0.00 -0.69 0.00 0.00 174.62 175.02 1n5a s ALA 135 N 0.44 -0.97 -0.09 7.40 0.00 -1.26 -1.09 121.76 126.19 1n5a s ALA 135 Ca -0.12 1.10 -0.13 0.00 0.00 0.00 0.00 51.96 52.80 1n5a s ALA 135 Cb -0.16 -1.40 -0.11 0.00 0.00 0.00 0.00 23.12 21.45 1n5a s ALA 135 CO 0.05 -0.95 0.45 0.00 0.00 0.00 0.00 175.76 175.31 1n5a h ALA 136 N 8.21 -0.11 -2.94 0.00 0.00 -1.88 -3.45 119.26 119.09 1n5a h ALA 136 Ca -0.17 -0.18 -0.56 0.00 0.00 0.00 0.00 54.91 54.00 1n5a h ALA 136 Cb 1.13 0.04 0.15 0.00 0.00 0.00 0.00 17.79 19.11 1n5a h ALA 136 CO 0.19 -0.13 0.42 -0.25 0.00 0.00 0.00 179.25 179.49 1n5a n ASP 137 N -4.81 1.95 0.07 0.00 8.00 -1.26 -4.87 116.55 115.63 1n5a n ASP 137 Ca -0.05 0.91 -0.12 0.00 0.71 0.00 0.00 54.79 56.24 1n5a n ASP 137 Cb 0.20 -1.50 -0.07 0.00 -0.02 0.00 0.00 41.12 39.72 1n5a n ASP 137 CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 1n5a h MET 138 N 1.03 -0.11 -0.93 -1.24 2.86 -2.00 -0.19 114.93 114.36 1n5a h MET 138 Ca -0.50 0.01 0.27 0.00 -2.06 0.00 0.00 59.70 57.42 1n5a h MET 138 Cb 1.33 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.97 1n5a h MET 138 CO 0.55 -0.07 0.67 0.00 1.06 0.00 0.00 176.91 179.11 1n5a h ALA 139 N 0.82 2.85 -0.00 6.32 0.00 -1.90 -1.35 119.26 126.00 1n5a h ALA 139 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1n5a h ALA 139 Cb 0.10 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1n5a h ALA 139 CO 0.00 -1.12 -0.07 0.00 0.00 0.00 0.00 179.25 178.07 1n5a n ALA 140 N -2.71 2.63 0.21 0.00 0.00 -0.09 -3.19 120.51 117.36 1n5a n ALA 140 Ca 0.19 -0.20 0.07 0.00 0.00 0.00 0.00 53.44 53.51 1n5a n ALA 140 Cb 0.99 -1.41 0.48 0.00 0.00 0.00 0.00 19.45 19.50 1n5a n ALA 140 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1n5a h GLN 141 N 0.21 0.00 0.06 0.00 1.08 -1.17 -0.14 115.11 115.15 1n5a h GLN 141 Ca 0.00 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1n5a h GLN 141 Cb 0.34 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.77 1n5a h GLN 141 CO 0.00 0.28 -0.03 0.82 -0.95 0.00 0.00 178.83 178.95 1n5a h ILE 142 N 0.00 1.05 -0.60 2.54 2.04 -1.72 -0.49 117.51 120.32 1n5a h ILE 142 Ca -0.00 -0.34 0.05 0.00 1.00 0.00 0.00 64.86 65.58 1n5a h ILE 142 Cb 0.64 1.27 -0.05 0.00 -0.74 0.00 0.00 36.82 37.93 1n5a h ILE 142 CO 0.04 0.08 0.32 0.74 0.00 0.00 0.00 178.15 179.33 1n5a h THR 143 N -0.22 0.96 -0.51 -0.27 2.02 -1.44 -1.63 112.91 111.81 1n5a h THR 143 Ca -0.01 -0.21 0.04 0.00 0.77 0.00 0.00 66.41 67.01 1n5a h THR 143 Cb 0.20 0.30 -0.04 0.00 -1.74 0.00 0.00 68.15 66.86 1n5a h THR 143 CO 0.01 0.11 0.26 -0.09 0.37 0.00 0.00 175.52 176.18 1n5a h ARG 144 N 0.61 0.49 0.27 6.66 2.43 -0.65 -0.29 114.38 123.89 1n5a h ARG 144 Ca 0.27 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.40 1n5a h ARG 144 Cb 0.17 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 1n5a h ARG 144 CO -0.18 0.32 -0.13 0.00 -1.51 0.00 0.00 179.97 178.48 1n5a h ARG 145 N 0.50 -0.35 -0.35 0.20 3.08 -0.65 -1.20 114.38 115.61 1n5a h ARG 145 Ca 0.22 0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.36 1n5a h ARG 145 Cb 0.13 0.08 -0.08 0.00 0.08 0.00 0.00 29.97 30.18 1n5a h ARG 145 CO -0.16 -0.11 -0.44 0.87 -1.07 0.00 0.00 179.97 179.06 1n5a h LYS 146 N -0.55 -0.36 -0.21 0.04 1.57 -0.76 0.25 116.57 116.55 1n5a h LYS 146 Ca -0.04 0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1n5a h LYS 146 Cb 0.41 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 1n5a h LYS 146 CO 0.06 -0.24 0.14 -1.49 -0.57 0.00 0.00 179.45 177.35 1n5a h TRP 147 N -0.37 0.21 0.07 -1.35 4.06 -1.06 -1.42 115.95 116.09 1n5a h TRP 147 Ca 0.12 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 61.07 1n5a h TRP 147 Cb 0.60 -0.07 0.00 0.00 -1.00 0.00 0.00 29.16 28.69 1n5a h TRP 147 CO -0.60 0.13 -0.03 0.93 -3.56 0.00 0.00 178.44 175.30 1n5a h GLU 148 N 0.22 -0.09 0.00 0.49 5.08 0.35 -2.05 114.58 118.58 1n5a h GLU 148 Ca 0.08 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1n5a h GLU 148 Cb 0.06 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1n5a h GLU 148 CO -0.02 0.38 0.00 1.04 -1.00 0.00 0.00 179.01 179.41 1n5a n GLN 149 N -4.90 0.04 -0.01 2.33 6.02 0.65 -2.52 117.38 119.00 1n5a n GLN 149 Ca -0.09 0.30 0.03 0.00 -0.01 0.00 0.00 57.00 57.24 1n5a n GLN 149 Cb 0.26 -1.50 0.03 0.00 1.02 0.00 0.00 30.24 30.05 1n5a n GLN 149 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1n5a n SER 150 N -1.42 1.59 0.00 1.08 3.41 -0.58 -4.97 113.62 112.73 1n5a n SER 150 Ca 0.03 -1.31 0.00 0.00 -0.26 0.00 0.00 58.87 57.33 1n5a n SER 150 Cb 0.08 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 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 0.34 0.44 0.30 5.00 0.00 -1.05 -4.92 105.19 105.31 1n5a n GLY 151 Ca 0.04 -0.68 -0.06 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.04 -0.63 4.61 0.00 -1.64 -2.64 119.26 118.92 1n5a h ALA 152 Ca 0.00 0.13 0.13 0.00 0.00 0.00 0.00 54.91 55.17 1n5a h ALA 152 Cb 0.00 0.63 -0.11 0.00 0.00 0.00 0.00 17.79 18.31 1n5a h ALA 152 CO 0.00 -0.65 -0.03 0.00 0.00 0.00 0.00 179.25 178.57 1n5a h ALA 153 N 0.96 0.59 -0.92 0.00 0.00 -1.91 0.52 119.26 118.50 1n5a h ALA 153 Ca 0.20 0.21 0.12 0.00 0.00 0.00 0.00 54.91 55.43 1n5a h ALA 153 Cb 0.50 0.37 -0.07 0.00 0.00 0.00 0.00 17.79 18.59 1n5a h ALA 153 CO -0.54 -0.41 0.59 0.93 0.00 0.00 0.00 179.25 179.82 1n5a h GLU 154 N 0.09 0.81 0.77 0.00 5.08 -1.72 0.42 114.58 120.03 1n5a h GLU 154 Ca 0.33 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.60 1n5a h GLU 154 Cb 0.53 -0.18 0.01 0.00 0.50 0.00 0.00 28.75 29.61 1n5a h GLU 154 CO -0.57 0.53 -0.37 0.45 -1.00 0.00 0.00 179.01 178.06 1n5a h HIS 155 N 0.83 -0.96 -0.37 4.33 3.86 0.05 -0.83 115.15 122.06 1n5a h HIS 155 Ca 0.45 -0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.66 1n5a h HIS 155 Cb 0.56 0.32 -0.02 0.00 1.06 0.00 0.00 27.41 29.33 1n5a h HIS 155 CO -0.00 -0.58 0.24 1.88 0.86 0.00 0.00 177.93 180.33 1n5a h TYR 156 N -1.14 0.40 -1.00 2.45 0.05 -1.07 -0.53 116.97 116.12 1n5a h TYR 156 Ca -0.11 0.01 0.03 0.00 0.05 0.00 0.00 58.73 58.71 1n5a h TYR 156 Cb 0.81 -0.13 -0.06 0.00 1.01 0.00 0.00 36.73 38.36 1n5a h TYR 156 CO -0.01 0.24 0.66 -0.22 -1.05 0.00 0.00 178.16 177.78 1n5a h LYS 157 N 0.42 1.27 -0.35 4.88 3.64 0.26 0.23 116.57 126.92 1n5a h LYS 157 Ca 0.14 -0.08 -0.12 0.00 -1.27 0.00 0.00 60.65 59.33 1n5a h LYS 157 Cb 0.07 -0.29 -0.01 0.00 -0.41 0.00 0.00 32.23 31.59 1n5a h LYS 157 CO -0.03 0.84 -0.26 0.00 -2.27 0.00 0.00 179.45 177.72 1n5a h ALA 158 N 1.40 0.87 0.07 5.00 0.00 0.34 -0.24 119.26 126.70 1n5a h ALA 158 Ca 0.39 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1n5a h ALA 158 Cb -0.06 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1n5a h ALA 158 CO -0.11 0.63 -0.03 -0.92 0.00 0.00 0.00 179.25 178.82 1n5a h TYR 159 N 0.63 -0.09 -0.62 0.00 3.20 -0.59 -0.31 116.97 119.18 1n5a h TYR 159 Ca 0.08 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.02 1n5a h TYR 159 Cb 0.77 0.03 -0.06 0.00 1.54 0.00 0.00 36.73 39.01 1n5a h TYR 159 CO 0.04 0.26 0.30 -0.07 -1.64 0.00 0.00 178.16 177.05 1n5a h LEU 160 N -0.45 0.40 0.00 2.82 3.38 -0.38 -2.48 115.31 118.61 1n5a h LEU 160 Ca -0.01 0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 1n5a h LEU 160 Cb 0.39 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1n5a h LEU 160 CO 0.02 0.25 -0.62 -0.33 0.09 0.00 0.00 178.44 177.85 1n5a h GLU 161 N 0.55 0.00 0.00 1.13 5.08 -0.97 -3.34 114.58 117.03 1n5a h GLU 161 Ca 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 1n5a h GLU 161 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1n5a h GLU 161 CO -0.23 0.43 0.00 0.41 -1.00 0.00 0.00 179.01 178.62 1n5a n GLY 162 N 1.24 0.09 0.21 -3.84 0.00 -0.13 -4.53 105.19 98.22 1n5a n GLY 162 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 1n5a n GLY 162 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1n5a n GLU 163 N 0.00 -0.22 -0.24 1.61 1.02 -1.19 0.13 120.64 121.75 1n5a n GLU 163 Ca 0.00 0.85 0.01 0.00 -0.02 0.00 0.00 57.16 58.00 1n5a n GLU 163 Cb 0.00 -1.25 0.09 0.00 -0.02 0.00 0.00 31.44 30.26 1n5a n GLU 163 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1n5a h VAL 165 N 0.02 0.00 -0.92 0.00 2.07 -0.43 -2.11 116.25 114.88 1n5a h VAL 165 Ca 0.35 -0.16 0.24 0.00 0.82 0.00 0.00 66.70 67.95 1n5a h VAL 165 Cb 0.54 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.15 1n5a h VAL 165 CO -0.71 0.00 0.04 -0.33 0.02 0.00 0.00 177.57 176.59 1n5a h GLU 166 N -0.60 0.05 -0.00 1.57 4.39 0.29 0.22 114.58 120.51 1n5a h GLU 166 Ca -0.05 -0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.48 1n5a h GLU 166 Cb 0.34 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.95 1n5a h GLU 166 CO 0.07 0.04 -0.80 -1.49 -1.16 0.00 0.00 179.01 175.68 1n5a h TRP 167 N 0.06 0.02 -0.17 4.33 4.06 0.12 -2.52 115.95 121.84 1n5a h TRP 167 Ca 0.54 -0.01 -0.10 0.00 2.06 0.00 0.00 58.89 61.38 1n5a h TRP 167 Cb 1.07 -0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.21 1n5a h TRP 167 CO -0.46 0.80 -0.33 1.25 -3.56 0.00 0.00 178.44 176.14 1n5a h LEU 168 N 0.01 0.36 -0.02 -4.49 5.85 0.12 0.25 115.31 117.38 1n5a h LEU 168 Ca -0.01 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.58 1n5a h LEU 168 Cb 1.40 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.33 1n5a h LEU 168 CO 0.10 0.68 0.01 0.45 -0.34 0.00 0.00 178.44 179.34 1n5a h HIS 169 N 0.30 0.03 0.01 1.25 3.86 -1.02 0.22 115.15 119.80 1n5a h HIS 169 Ca 0.04 -0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.27 1n5a h HIS 169 Cb 0.74 -0.01 -0.04 0.00 1.06 0.00 0.00 27.41 29.16 1n5a h HIS 169 CO 0.02 0.12 -0.21 -0.09 0.86 0.00 0.00 177.93 178.62 1n5a h ARG 170 N -0.07 -0.33 -0.56 2.45 2.43 -0.90 0.09 114.38 117.49 1n5a h ARG 170 Ca 0.01 0.02 0.11 0.00 -0.81 0.00 0.00 59.98 59.31 1n5a h ARG 170 Cb 0.10 0.08 -0.08 0.00 -0.42 0.00 0.00 29.97 29.64 1n5a h ARG 170 CO -0.00 -0.22 0.07 1.88 -1.51 0.00 0.00 179.97 180.19 1n5a h TYR 171 N -0.34 0.10 -0.18 2.20 0.05 -0.33 -1.15 116.97 117.31 1n5a h TYR 171 Ca 0.06 0.04 -0.02 0.00 0.05 0.00 0.00 58.73 58.86 1n5a h TYR 171 Cb 0.42 0.04 -0.01 0.00 1.01 0.00 0.00 36.73 38.19 1n5a h TYR 171 CO -0.25 -0.07 0.04 -0.07 -1.05 0.00 0.00 178.16 176.76 1n5a h LEU 172 N 0.20 0.23 -0.15 3.88 3.38 0.13 -0.01 115.31 122.97 1n5a h LEU 172 Ca 0.29 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 58.15 1n5a h LEU 172 Cb 0.43 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 1n5a h LEU 172 CO -0.41 0.25 -0.24 0.11 0.09 0.00 0.00 178.44 178.23 1n5a h LYS 173 N 0.26 0.42 0.00 1.13 1.57 0.03 -3.16 116.57 116.81 1n5a h LYS 173 Ca 0.06 -0.26 -0.01 0.00 -1.87 0.00 0.00 60.65 58.57 1n5a h LYS 173 Cb 0.12 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.45 1n5a h LYS 173 CO -0.00 0.85 -0.07 -0.91 -0.57 0.00 0.00 179.45 178.75 1n5a h ASN 174 N 0.04 0.00 -2.08 0.86 2.35 -0.22 -3.01 115.58 113.51 1n5a h ASN 174 Ca 0.01 0.00 -0.55 0.00 -0.55 0.00 0.00 56.30 55.21 1n5a h ASN 174 Cb 0.82 0.00 -0.40 0.00 0.05 0.00 0.00 38.32 38.79 1n5a h ASN 174 CO 0.06 0.07 -0.95 0.61 -1.65 0.00 0.00 177.43 175.57 1n5a n GLY 175 N -0.94 3.87 0.09 2.83 0.00 -0.89 -4.81 105.19 105.33 1n5a n GLY 175 Ca -0.02 -2.04 -0.10 0.00 0.00 0.00 0.00 46.02 43.85 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 3.66 0.07 1.42 1.61 2.35 -1.49 -3.25 115.58 119.94 1n5a h ASN 176 Ca 0.12 -0.15 -0.08 0.00 -0.55 0.00 0.00 56.30 55.64 1n5a h ASN 176 Cb 0.80 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 39.14 1n5a h ASN 176 CO 0.61 1.13 -0.36 0.00 -1.65 0.00 0.00 177.43 177.15 1n5a h ALA 177 N 0.86 0.81 0.01 -0.83 0.00 -1.88 -3.30 119.26 114.93 1n5a h ALA 177 Ca -0.28 -0.33 -0.33 0.00 0.00 0.00 0.00 54.91 53.97 1n5a h ALA 177 Cb 2.00 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 19.68 1n5a h ALA 177 CO 0.09 0.45 -2.04 2.41 0.00 0.00 0.00 179.25 180.16 1n5a n THR 178 N -3.25 1.52 -0.14 0.00 -1.04 -1.26 -4.61 114.28 105.49 1n5a n THR 178 Ca 0.02 -0.81 0.07 0.00 -2.04 0.00 0.00 64.05 61.29 1n5a n THR 178 Cb 0.63 -0.84 0.17 0.00 -1.82 0.00 0.00 70.33 68.48 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 -2.95 3.04 -1.18 -4.42 4.77 -1.23 -4.52 117.00 110.52 1n5a n LEU 179 Ca -0.25 -1.91 0.09 0.00 -0.03 0.00 0.00 56.01 53.91 1n5a n LEU 179 Cb 1.10 -0.26 0.28 0.00 -2.33 0.00 0.00 43.42 42.21 1n5a n LEU 179 CO 0.43 0.75 0.74 -0.11 -1.33 0.00 0.00 177.39 177.87 1n5a n LEU 180 N 0.74 3.83 -4.92 2.23 7.94 -1.24 -4.98 117.00 120.59 1n5a n LEU 180 Ca 0.14 -2.14 -0.26 0.00 -1.11 0.00 0.00 56.01 52.64 1n5a n LEU 180 Cb 0.45 -0.44 -0.02 0.00 0.53 0.00 0.00 43.42 43.95 1n5a n LEU 180 CO 0.09 0.87 0.23 0.00 -1.11 0.00 0.00 177.39 177.47 1n5a s ARG 181 N -1.26 3.54 -0.25 1.96 1.70 -1.26 -5.08 118.95 118.29 1n5a s ARG 181 Ca 0.42 -0.14 -0.02 0.00 -0.47 0.00 0.00 55.73 55.52 1n5a s ARG 181 Cb 0.24 -2.61 0.13 0.00 -0.57 0.00 0.00 34.95 32.14 1n5a s ARG 181 CO 0.26 0.10 0.34 0.95 -1.08 0.00 0.00 175.30 175.87 1n5a s THR 182 N -2.33 -0.51 -0.14 4.99 -4.23 -1.26 -4.81 115.64 107.35 1n5a s THR 182 Ca 0.42 -0.21 -0.29 0.00 -1.18 0.00 0.00 61.69 60.43 1n5a s THR 182 Cb -0.10 -0.86 -0.02 0.00 1.34 0.00 0.00 72.50 72.87 1n5a s THR 182 CO 0.36 -0.24 1.21 -1.81 -0.54 0.00 0.00 174.62 173.60 1n5a s ASP 183 N 2.47 7.00 0.29 3.99 1.01 -0.59 -4.70 116.67 126.13 1n5a s ASP 183 Ca 0.10 1.68 -0.29 0.00 0.71 0.00 0.00 52.55 54.75 1n5a s ASP 183 Cb -0.15 -2.54 -0.10 0.00 1.01 0.00 0.00 42.92 41.14 1n5a s ASP 183 CO -0.21 -0.70 1.13 -0.44 0.21 0.00 0.00 175.17 175.16 1n5a s SER 184 N 1.74 7.20 0.36 0.27 0.01 -1.26 -0.30 113.70 121.71 1n5a s SER 184 Ca 0.54 2.33 -0.28 0.00 1.31 0.00 0.00 55.95 59.85 1n5a s SER 184 Cb -0.21 -2.63 -0.10 0.00 0.21 0.00 0.00 66.02 63.29 1n5a s SER 184 CO 0.15 -0.20 1.34 -2.16 0.41 0.00 0.00 173.24 172.78 1n5a s PRO 185 N -1.49 4.21 -0.19 12.44 0.04 -1.26 -4.42 135.00 144.32 1n5a s PRO 185 Ca 0.45 2.26 -0.05 0.00 0.04 0.00 0.00 61.00 63.70 1n5a s PRO 185 Cb -0.33 -2.97 -0.03 0.00 0.04 0.00 0.00 34.50 31.21 1n5a s PRO 185 CO 0.43 -0.33 0.00 0.15 0.04 0.00 0.00 177.00 177.29 1n5a s LYS 186 N -1.96 3.66 -0.04 4.56 1.02 -0.42 -4.88 119.74 121.68 1n5a s LYS 186 Ca 0.52 -0.50 0.06 0.00 0.02 0.00 0.00 55.97 56.07 1n5a s LYS 186 Cb -0.41 -3.08 -0.02 0.00 -0.52 0.00 0.00 37.83 33.80 1n5a s LYS 186 CO 0.54 0.06 -0.22 0.00 -0.92 0.00 0.00 175.35 174.81 1n5a s ALA 187 N 0.87 2.30 0.22 5.17 0.00 -1.26 -1.88 121.76 127.18 1n5a s ALA 187 Ca 0.01 -1.06 -0.05 0.00 0.00 0.00 0.00 51.96 50.86 1n5a s ALA 187 Cb -0.14 -0.70 -0.03 0.00 0.00 0.00 0.00 23.12 22.25 1n5a s ALA 187 CO 0.02 0.51 0.25 -3.38 0.00 0.00 0.00 175.76 173.16 1n5a s HIS 188 N -0.53 0.90 -0.03 0.00 -3.43 -1.11 -4.99 115.29 106.10 1n5a s HIS 188 Ca 0.07 -1.16 0.06 0.00 -0.80 0.00 0.00 55.06 53.22 1n5a s HIS 188 Cb -0.11 -0.31 -0.01 0.00 -1.43 0.00 0.00 32.58 30.72 1n5a s HIS 188 CO 0.00 -0.77 -0.20 0.08 -2.00 0.00 0.00 174.74 171.85 1n5a s VAL 189 N -4.09 1.62 0.07 -5.38 1.01 -1.26 -0.94 120.40 111.43 1n5a s VAL 189 Ca 0.33 -0.86 0.06 0.00 0.00 0.00 0.00 61.98 61.51 1n5a s VAL 189 Cb 0.04 -1.36 -0.04 0.00 0.00 0.00 0.00 36.38 35.03 1n5a s VAL 189 CO 0.11 0.46 -0.08 0.42 0.00 0.00 0.00 175.10 176.01 1n5a s THR 190 N -0.31 3.51 -0.23 3.92 -4.23 0.53 -4.94 115.64 113.87 1n5a s THR 190 Ca 0.04 -1.09 -0.06 0.00 -1.18 0.00 0.00 61.69 59.40 1n5a s THR 190 Cb -0.09 -2.61 -0.02 0.00 1.34 0.00 0.00 72.50 71.12 1n5a s THR 190 CO 0.00 0.20 0.03 -2.28 -0.54 0.00 0.00 174.62 172.04 1n5a s HIS 191 N -1.15 3.05 -0.21 3.99 2.46 -1.26 -1.18 115.29 120.99 1n5a s HIS 191 Ca 0.20 -0.53 0.01 0.00 0.47 0.00 0.00 55.06 55.21 1n5a s HIS 191 Cb -0.11 -2.18 0.03 0.00 -0.13 0.00 0.00 32.58 30.19 1n5a s HIS 191 CO 0.12 -0.37 -0.15 -1.01 -2.47 0.00 0.00 174.74 170.86 1n5a s HIS 192 N 1.47 2.96 0.25 3.88 3.76 0.12 -4.98 115.29 122.75 1n5a s HIS 192 Ca 0.05 -1.79 -0.19 0.00 -0.15 0.00 0.00 55.06 52.99 1n5a s HIS 192 Cb -0.15 -1.95 -0.13 0.00 1.11 0.00 0.00 32.58 31.47 1n5a s HIS 192 CO 0.02 -0.81 0.21 -2.30 -0.85 0.00 0.00 174.74 171.01 1n5a n PRO 193 N 4.58 0.00 -1.24 8.40 -0.02 -1.26 0.53 135.00 145.98 1n5a n PRO 193 Ca -0.18 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.01 1n5a n PRO 193 Cb 0.47 -0.79 0.17 0.00 -0.02 0.00 0.00 33.50 33.34 1n5a n PRO 193 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1n5a s ARG 194 N -0.79 0.43 -0.87 -0.52 3.00 -1.12 -4.46 118.95 114.62 1n5a s ARG 194 Ca 0.48 0.41 0.01 0.00 0.00 0.00 0.00 55.73 56.63 1n5a s ARG 194 Cb -0.60 -1.75 0.33 0.00 0.00 0.00 0.00 34.95 32.94 1n5a s ARG 194 CO 0.47 -2.71 1.58 -1.13 0.00 0.00 0.00 175.30 173.52 1n5a n SER 195 N -4.14 6.51 -1.94 0.23 3.41 -1.11 -4.82 113.62 111.76 1n5a n SER 195 Ca 0.06 -3.70 -0.02 0.00 -0.26 0.00 0.00 58.87 54.95 1n5a n SER 195 Cb 0.58 -0.97 -0.01 0.00 -0.26 0.00 0.00 64.21 63.55 1n5a n SER 195 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1n5a n LYS 196 N -0.17 -1.68 0.00 4.33 4.76 -1.26 -4.62 118.16 119.52 1n5a n LYS 196 Ca 0.43 1.59 0.00 0.00 -2.87 0.00 0.00 58.31 57.46 1n5a n LYS 196 Cb 0.31 -2.62 0.00 0.00 -1.84 0.00 0.00 35.03 30.87 1n5a n LYS 196 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1n5a n GLY 197 N 0.56 3.00 3.24 0.72 0.00 -1.26 -5.00 105.19 106.45 1n5a n GLY 197 Ca -0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.24 2.57 0.19 1.61 2.02 -1.26 -0.72 118.70 122.87 1n5a s GLU 198 Ca 0.00 -1.20 -0.06 0.00 0.02 0.00 0.00 54.97 53.73 1n5a s GLU 198 Cb 0.00 -3.37 -0.06 0.00 0.10 0.00 0.00 34.13 30.80 1n5a s GLU 198 CO 0.00 -0.65 0.45 0.14 0.02 0.00 0.00 175.26 175.22 1n5a s VAL 199 N 1.36 5.08 -0.18 2.63 -7.23 0.14 -2.73 120.40 119.48 1n5a s VAL 199 Ca -0.03 0.14 -0.11 0.00 -1.81 0.00 0.00 61.98 60.18 1n5a s VAL 199 Cb -0.20 -3.64 -0.05 0.00 0.56 0.00 0.00 36.38 33.06 1n5a s VAL 199 CO 0.02 -0.05 0.19 -0.89 -0.31 0.00 0.00 175.10 174.06 1n5a s THR 200 N -1.77 5.38 -0.21 5.32 2.01 0.19 -0.44 115.64 126.13 1n5a s THR 200 Ca 0.43 0.32 -0.05 0.00 0.31 0.00 0.00 61.69 62.70 1n5a s THR 200 Cb -0.12 -3.52 -0.02 0.00 0.01 0.00 0.00 72.50 68.85 1n5a s THR 200 CO 0.24 0.44 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.85 1n5a s LEU 201 N 0.27 3.19 -0.20 4.42 1.43 -0.72 0.16 118.68 127.24 1n5a s LEU 201 Ca 0.12 -0.24 -0.04 0.00 -1.03 0.00 0.00 54.13 52.94 1n5a s LEU 201 Cb -0.12 -1.81 -0.02 0.00 0.03 0.00 0.00 46.19 44.27 1n5a s LEU 201 CO 0.01 0.05 -0.04 -0.60 0.23 0.00 0.00 176.35 175.99 1n5a s ARG 202 N 1.11 3.48 -0.35 1.70 6.06 -0.33 -1.92 118.95 128.69 1n5a s ARG 202 Ca 0.02 -0.59 -0.13 0.00 -2.50 0.00 0.00 55.73 52.54 1n5a s ARG 202 Cb -0.14 -2.99 -0.00 0.00 0.06 0.00 0.00 34.95 31.87 1n5a s ARG 202 CO 0.01 -0.06 0.24 0.00 -2.50 0.00 0.00 175.30 172.99 1n5a s TRP 204 N 1.68 3.52 -0.15 0.00 0.52 -0.12 -1.70 118.94 122.69 1n5a s TRP 204 Ca 0.05 0.40 -0.00 0.00 0.02 0.00 0.00 56.10 56.57 1n5a s TRP 204 Cb -0.18 -1.86 0.03 0.00 -1.15 0.00 0.00 33.47 30.31 1n5a s TRP 204 CO 0.09 0.66 -0.08 0.00 0.02 0.00 0.00 176.95 177.65 1n5a s ALA 205 N -1.17 1.54 0.18 0.98 0.00 0.13 -2.77 121.76 120.66 1n5a s ALA 205 Ca 0.21 -0.78 0.11 0.00 0.00 0.00 0.00 51.96 51.50 1n5a s ALA 205 Cb -0.12 -1.06 -0.04 0.00 0.00 0.00 0.00 23.12 21.90 1n5a s ALA 205 CO 0.11 -0.60 -0.24 -0.51 0.00 0.00 0.00 175.76 174.52 1n5a s LEU 206 N 1.61 2.41 -1.60 0.00 1.43 -0.79 -1.58 118.68 120.17 1n5a s LEU 206 Ca 0.03 -0.84 -0.12 0.00 -1.03 0.00 0.00 54.13 52.17 1n5a s LEU 206 Cb -0.14 -1.15 0.10 0.00 0.03 0.00 0.00 46.19 45.03 1n5a s LEU 206 CO -0.08 0.12 0.67 0.61 0.23 0.00 0.00 176.35 177.90 1n5a n GLY 207 N 0.42 -0.37 3.82 -3.19 0.00 -1.00 -1.31 105.19 103.56 1n5a n GLY 207 Ca -0.14 0.14 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.53 3.19 -0.07 1.61 -0.12 -1.17 -4.55 117.98 113.35 1n5a s PHE 208 Ca 0.49 -0.01 -0.09 0.00 -0.05 0.00 0.00 56.93 57.27 1n5a s PHE 208 Cb -0.26 -1.52 0.02 0.00 -0.63 0.00 0.00 43.02 40.63 1n5a s PHE 208 CO 0.91 0.52 0.24 -0.47 -0.05 0.00 0.00 175.22 176.37 1n5a s TYR 209 N -1.81 -0.23 1.17 3.49 5.04 0.58 -1.19 117.35 124.41 1n5a s TYR 209 Ca 0.32 0.54 -0.19 0.00 -2.44 0.00 0.00 57.07 55.29 1n5a s TYR 209 Cb -0.10 0.08 0.27 0.00 0.35 0.00 0.00 41.96 42.56 1n5a s TYR 209 CO 0.24 -0.17 1.14 -2.14 -1.34 0.00 0.00 175.55 173.28 1n5a s PRO 210 N -0.18 -0.96 0.33 4.97 0.02 -1.26 -1.54 135.00 136.38 1n5a s PRO 210 Ca -0.03 -0.13 0.01 0.00 0.02 0.00 0.00 61.00 60.86 1n5a s PRO 210 Cb -0.03 -1.63 0.56 0.00 0.02 0.00 0.00 34.50 33.42 1n5a s PRO 210 CO 0.01 -3.52 1.98 0.00 -0.33 0.00 0.00 177.00 175.13 1n5a h ALA 211 N -2.44 1.47 -2.35 -1.55 0.00 -1.96 -3.44 119.26 108.98 1n5a h ALA 211 Ca -0.45 -0.07 -0.57 0.00 0.00 0.00 0.00 54.91 53.83 1n5a h ALA 211 Cb 1.28 -0.27 0.05 0.00 0.00 0.00 0.00 17.79 18.85 1n5a h ALA 211 CO 0.34 0.47 0.92 -0.25 0.00 0.00 0.00 179.25 180.73 1n5a n ASP 212 N -4.41 3.46 -3.77 0.00 8.00 -1.26 -4.94 116.55 113.63 1n5a n ASP 212 Ca 0.07 1.05 -0.06 0.00 0.71 0.00 0.00 54.79 56.56 1n5a n ASP 212 Cb 0.06 -1.47 -0.02 0.00 -0.02 0.00 0.00 41.12 39.67 1n5a n ASP 212 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1n5a s ILE 213 N 1.60 0.00 -0.18 0.53 2.07 -1.26 -4.72 121.20 119.25 1n5a s ILE 213 Ca 0.80 -0.74 -0.11 0.00 -1.41 0.00 0.00 60.65 59.19 1n5a s ILE 213 Cb -0.62 -1.87 0.06 0.00 0.13 0.00 0.00 42.46 40.16 1n5a s ILE 213 CO 0.38 0.00 0.43 -0.89 -1.91 0.00 0.00 174.94 172.95 1n5a s THR 214 N -3.62 -0.02 0.05 4.00 2.01 -1.01 -5.00 115.64 112.06 1n5a s THR 214 Ca 0.10 0.07 0.08 0.00 0.31 0.00 0.00 61.69 62.26 1n5a s THR 214 Cb -0.04 -0.63 -0.03 0.00 0.01 0.00 0.00 72.50 71.81 1n5a s THR 214 CO 0.03 0.03 -0.23 -0.76 -0.69 0.00 0.00 174.62 172.99 1n5a s LEU 215 N 1.19 2.18 -0.00 4.42 1.02 -1.26 -1.46 118.68 124.77 1n5a s LEU 215 Ca -0.08 -0.57 -0.11 0.00 0.02 0.00 0.00 54.13 53.39 1n5a s LEU 215 Cb -0.07 -1.11 0.01 0.00 0.02 0.00 0.00 46.19 45.04 1n5a s LEU 215 CO -0.11 0.19 0.21 0.42 0.02 0.00 0.00 176.35 177.09 1n5a s THR 216 N -0.84 0.07 -0.15 5.49 -4.23 -0.81 -4.97 115.64 110.21 1n5a s THR 216 Ca 0.10 -0.61 -0.01 0.00 -1.18 0.00 0.00 61.69 59.99 1n5a s THR 216 Cb -0.09 -0.53 -0.02 0.00 1.34 0.00 0.00 72.50 73.20 1n5a s THR 216 CO 0.02 -0.33 -0.10 0.26 -0.54 0.00 0.00 174.62 173.93 1n5a s TRP 217 N -1.40 2.88 -0.04 3.99 0.52 -1.26 -0.69 118.94 122.93 1n5a s TRP 217 Ca -0.14 -0.61 0.05 0.00 0.02 0.00 0.00 56.10 55.42 1n5a s TRP 217 Cb -0.06 -1.90 -0.02 0.00 -1.15 0.00 0.00 33.47 30.33 1n5a s TRP 217 CO 0.03 -0.22 -0.18 -0.65 0.02 0.00 0.00 176.95 175.95 1n5a s GLN 218 N 0.50 2.39 -1.11 4.98 -0.21 0.15 -1.41 119.66 124.95 1n5a s GLN 218 Ca -0.07 -0.77 -0.06 0.00 0.02 0.00 0.00 55.36 54.48 1n5a s GLN 218 Cb -0.15 -2.28 0.29 0.00 1.00 0.00 0.00 33.01 31.87 1n5a s GLN 218 CO 0.04 0.60 1.36 -0.11 -2.12 0.00 0.00 175.29 175.06 1n5a n LEU 219 N 2.36 6.07 -3.82 2.90 7.94 -1.15 -1.74 117.00 129.55 1n5a n LEU 219 Ca -0.17 -5.10 -0.26 0.00 -1.11 0.00 0.00 56.01 49.37 1n5a n LEU 219 Cb 0.52 -1.37 0.02 0.00 0.53 0.00 0.00 43.42 43.12 1n5a n LEU 219 CO 0.25 1.52 -0.01 -0.46 -1.11 0.00 0.00 177.39 177.58 1n5a n ASN 220 N 2.07 -2.63 0.00 1.96 0.23 -0.89 -4.58 115.26 111.43 1n5a n ASN 220 Ca 0.26 -0.82 0.00 0.00 -0.53 0.00 0.00 54.58 53.49 1n5a n ASN 220 Cb 0.36 -3.88 0.00 0.00 -2.08 0.00 0.00 39.78 34.18 1n5a n ASN 220 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1n5a n GLY 221 N -1.66 -0.62 3.78 4.83 0.00 -1.26 -5.12 105.19 105.15 1n5a n GLY 221 Ca -0.15 0.34 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 1n5a n GLY 221 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1n5a s GLU 222 N 0.00 3.49 0.85 1.61 1.03 -1.26 -4.92 118.70 119.49 1n5a s GLU 222 Ca 0.00 1.48 -0.12 0.00 0.03 0.00 0.00 54.97 56.36 1n5a s GLU 222 Cb 0.00 -2.04 0.10 0.00 -0.80 0.00 0.00 34.13 31.39 1n5a s GLU 222 CO 0.00 -0.71 1.14 -1.83 -1.33 0.00 0.00 175.26 172.53 1n5a s GLU 223 N -3.36 1.66 -0.40 -4.83 -1.05 -1.26 -2.96 118.70 106.50 1n5a s GLU 223 Ca 0.70 0.28 0.01 0.00 -0.15 0.00 0.00 54.97 55.82 1n5a s GLU 223 Cb -0.20 -1.90 0.14 0.00 -0.44 0.00 0.00 34.13 31.73 1n5a s GLU 223 CO 0.26 -1.84 0.25 -1.17 0.95 0.00 0.00 175.26 173.70 1n5a s LEU 224 N -5.80 1.70 0.00 1.83 2.96 -0.50 -4.92 118.68 113.96 1n5a s LEU 224 Ca 0.62 -2.50 0.00 0.00 -0.22 0.00 0.00 54.13 52.04 1n5a s LEU 224 Cb -0.13 -0.64 0.00 0.00 0.50 0.00 0.00 46.19 45.91 1n5a s LEU 224 CO 0.52 -0.27 0.83 0.41 -1.32 0.00 0.00 176.35 176.51 1n5a n THR 225 N 3.66 0.00 -1.47 3.68 -1.04 -1.26 -4.48 114.28 113.36 1n5a n THR 225 Ca 0.14 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 62.02 1n5a n THR 225 Cb 0.38 -0.11 -0.10 0.00 -1.82 0.00 0.00 70.33 68.68 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 -0.42 0.20 -4.28 -2.82 0.00 -1.26 -3.35 117.38 105.45 1n5a n GLN 226 Ca 0.00 -1.02 -0.36 0.00 -0.00 0.00 0.00 57.00 55.62 1n5a n GLN 226 Cb 0.03 -3.12 -0.08 0.00 0.00 0.00 0.00 30.24 27.07 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 15.80 -0.81 -4.71 1.69 2.03 -1.26 -4.78 116.55 124.50 1n5a n ASP 227 Ca 0.39 -1.17 -0.42 0.00 0.52 0.00 0.00 54.79 54.11 1n5a n ASP 227 Cb 0.43 -1.48 -0.03 0.00 -0.72 0.00 0.00 41.12 39.32 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 -6.88 4.32 -0.07 -0.67 -2.45 -1.21 -4.86 119.30 107.47 1n5a s MET 228 Ca 0.51 2.06 -0.10 0.00 -1.25 0.00 0.00 55.69 56.91 1n5a s MET 228 Cb -0.30 -3.30 -0.05 0.00 1.25 0.00 0.00 34.83 32.43 1n5a s MET 228 CO 0.94 -0.46 0.26 -2.00 1.05 0.00 0.00 175.02 174.82 1n5a s GLU 229 N 1.30 3.67 0.00 4.11 2.12 0.12 -4.91 118.70 125.11 1n5a s GLU 229 Ca 0.65 0.11 0.00 0.00 0.36 0.00 0.00 54.97 56.08 1n5a s GLU 229 Cb -0.36 -3.21 0.00 0.00 0.26 0.00 0.00 34.13 30.82 1n5a s GLU 229 CO 0.30 0.72 0.00 1.47 -0.54 0.00 0.00 175.26 177.21 1n5a n LEU 230 N 1.97 0.00 -3.78 2.70 -0.00 -1.26 0.22 117.00 116.84 1n5a n LEU 230 Ca -0.17 0.00 -0.12 0.00 -0.00 0.00 0.00 56.01 55.72 1n5a n LEU 230 Cb 0.54 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.87 1n5a n LEU 230 CO 0.34 0.00 -0.01 0.68 -0.00 0.00 0.00 177.39 178.40 1n5a s VAL 231 N -1.70 0.08 0.38 1.47 -7.23 -1.10 -4.96 120.40 107.33 1n5a s VAL 231 Ca 0.00 -0.63 -0.28 0.00 -1.81 0.00 0.00 61.98 59.26 1n5a s VAL 231 Cb 0.00 -0.75 -0.11 0.00 0.56 0.00 0.00 36.38 36.08 1n5a s VAL 231 CO 0.00 -0.35 1.40 1.21 -0.31 0.00 0.00 175.10 177.06 1n5a n GLU 232 N 0.97 2.41 -1.71 4.82 2.13 -1.26 -4.64 120.64 123.36 1n5a n GLU 232 Ca -0.20 0.85 -0.43 0.00 0.66 0.00 0.00 57.16 58.03 1n5a n GLU 232 Cb 0.57 -2.54 -0.03 0.00 0.27 0.00 0.00 31.44 29.72 1n5a n GLU 232 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 1n5a n THR 233 N 0.29 0.55 -4.33 6.31 -1.04 -1.26 -4.88 114.28 109.91 1n5a n THR 233 Ca 0.03 -0.14 -0.26 0.00 -2.04 0.00 0.00 64.05 61.65 1n5a n THR 233 Cb 0.38 -1.81 -0.13 0.00 -1.82 0.00 0.00 70.33 66.96 1n5a n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1n5a s ARG 234 N 0.22 1.24 0.04 -2.82 1.70 -0.51 -4.96 118.95 113.86 1n5a s ARG 234 Ca 0.70 -1.25 -0.30 0.00 -0.47 0.00 0.00 55.73 54.41 1n5a s ARG 234 Cb -0.56 -1.58 -0.05 0.00 -0.57 0.00 0.00 34.95 32.19 1n5a s ARG 234 CO 0.42 0.37 1.16 -1.25 -1.08 0.00 0.00 175.30 174.92 1n5a s PRO 235 N -2.02 4.45 0.47 3.89 0.04 -1.26 -0.23 135.00 140.33 1n5a s PRO 235 Ca 0.10 1.69 0.26 0.00 0.04 0.00 0.00 61.00 63.09 1n5a s PRO 235 Cb -0.10 -3.39 1.05 0.00 0.04 0.00 0.00 34.50 32.10 1n5a s PRO 235 CO 0.05 -0.24 1.88 0.00 0.04 0.00 0.00 177.00 178.73 1n5a h ALA 236 N 6.88 1.04 0.00 8.56 0.00 -1.20 -3.47 119.26 131.07 1n5a h ALA 236 Ca -0.41 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1n5a h ALA 236 Cb 1.21 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1n5a h ALA 236 CO 0.81 0.22 0.00 0.41 0.00 0.00 0.00 179.25 180.68 1n5a n GLY 237 N 0.06 1.76 1.23 0.00 0.00 -1.26 -4.89 105.19 102.09 1n5a n GLY 237 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 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 4.05 0.00 1.61 5.68 -1.26 -4.89 116.55 121.74 1n5a n ASP 238 Ca 0.00 -2.30 0.00 0.00 -0.50 0.00 0.00 54.79 51.99 1n5a n ASP 238 Cb 0.00 -0.47 0.00 0.00 -1.14 0.00 0.00 41.12 39.51 1n5a n ASP 238 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1n5a n GLY 239 N 0.91 1.01 4.01 6.12 0.00 -1.26 -5.06 105.19 110.92 1n5a n GLY 239 Ca 0.22 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.28 2.67 0.20 2.61 -4.23 -1.26 -4.85 115.64 108.49 1n5a s THR 240 Ca 0.00 -0.96 0.09 0.00 -1.18 0.00 0.00 61.69 59.65 1n5a s THR 240 Cb 0.00 -2.71 -0.04 0.00 1.34 0.00 0.00 72.50 71.08 1n5a s THR 240 CO 0.00 0.00 -0.18 -0.36 -0.54 0.00 0.00 174.62 173.54 1n5a s PHE 241 N -2.52 1.91 0.18 3.99 0.08 -0.33 -0.64 117.98 120.64 1n5a s PHE 241 Ca 0.58 -0.47 0.06 0.00 0.12 0.00 0.00 56.93 57.22 1n5a s PHE 241 Cb -0.08 -0.91 -0.05 0.00 -0.57 0.00 0.00 43.02 41.41 1n5a s PHE 241 CO 0.36 0.42 -0.12 -0.65 -0.10 0.00 0.00 175.22 175.12 1n5a s GLN 242 N -3.15 1.19 -0.27 0.44 -0.21 0.68 -2.38 119.66 115.96 1n5a s GLN 242 Ca 0.20 -1.52 -0.29 0.00 0.02 0.00 0.00 55.36 53.77 1n5a s GLN 242 Cb -0.04 -0.87 0.18 0.00 1.00 0.00 0.00 33.01 33.28 1n5a s GLN 242 CO 0.08 0.13 1.31 0.21 -2.12 0.00 0.00 175.29 174.90 1n5a s LYS 243 N -3.70 0.14 0.08 2.91 2.20 -0.61 -1.43 119.74 119.32 1n5a s LYS 243 Ca 0.20 0.04 -0.09 0.00 -0.36 0.00 0.00 55.97 55.75 1n5a s LYS 243 Cb 0.01 0.06 0.00 0.00 -1.51 0.00 0.00 37.83 36.40 1n5a s LYS 243 CO 0.04 -0.04 0.21 1.67 -0.36 0.00 0.00 175.35 176.86 1n5a s TRP 244 N -0.94 0.10 -0.07 4.03 1.48 -1.26 0.21 118.94 122.49 1n5a s TRP 244 Ca 0.07 -0.46 -0.05 0.00 -1.06 0.00 0.00 56.10 54.60 1n5a s TRP 244 Cb -0.01 -0.03 0.03 0.00 -1.16 0.00 0.00 33.47 32.30 1n5a s TRP 244 CO -0.07 -0.53 0.18 0.00 -4.06 0.00 0.00 176.95 172.47 1n5a s ALA 245 N -3.52 -0.42 0.24 2.67 0.00 -0.69 -2.70 121.76 117.34 1n5a s ALA 245 Ca 0.02 0.64 0.05 0.00 0.00 0.00 0.00 51.96 52.67 1n5a s ALA 245 Cb 0.03 -0.39 -0.05 0.00 0.00 0.00 0.00 23.12 22.71 1n5a s ALA 245 CO -0.09 -0.12 -0.04 -1.54 0.00 0.00 0.00 175.76 173.96 1n5a s SER 246 N 0.57 2.20 -0.01 0.00 1.04 0.59 -1.39 113.70 116.70 1n5a s SER 246 Ca -0.04 -1.17 -0.13 0.00 0.48 0.00 0.00 55.95 55.09 1n5a s SER 246 Cb -0.05 -0.06 0.02 0.00 0.10 0.00 0.00 66.02 66.02 1n5a s SER 246 CO -0.03 -0.41 0.27 0.68 0.98 0.00 0.00 173.24 174.74 1n5a s VAL 247 N -3.23 0.06 -0.02 5.02 -7.23 -0.81 -0.70 120.40 113.48 1n5a s VAL 247 Ca 0.27 -0.53 -0.26 0.00 -1.81 0.00 0.00 61.98 59.66 1n5a s VAL 247 Cb 0.04 -0.58 -0.04 0.00 0.56 0.00 0.00 36.38 36.36 1n5a s VAL 247 CO 0.09 -0.29 0.80 0.68 -0.31 0.00 0.00 175.10 176.07 1n5a s VAL 248 N -1.37 4.93 -0.02 1.32 -7.23 -1.26 -1.76 120.40 115.02 1n5a s VAL 248 Ca -0.14 1.68 -0.01 0.00 -1.81 0.00 0.00 61.98 61.71 1n5a s VAL 248 Cb -0.06 -4.15 0.02 0.00 0.56 0.00 0.00 36.38 32.75 1n5a s VAL 248 CO 0.04 0.24 0.03 -0.69 -0.31 0.00 0.00 175.10 174.41 1n5a s VAL 249 N 0.71 -0.03 0.04 1.32 1.01 0.42 -4.99 120.40 118.89 1n5a s VAL 249 Ca 0.42 0.10 -0.30 0.00 0.00 0.00 0.00 61.98 62.20 1n5a s VAL 249 Cb -0.19 -0.07 -0.08 0.00 0.00 0.00 0.00 36.38 36.04 1n5a s VAL 249 CO 0.22 0.04 1.80 -2.16 0.00 0.00 0.00 175.10 175.00 1n5a s PRO 250 N 0.51 4.16 0.16 2.72 0.04 -1.26 0.28 135.00 141.62 1n5a s PRO 250 Ca -0.04 2.45 -0.31 0.00 0.04 0.00 0.00 61.00 63.15 1n5a s PRO 250 Cb -0.06 -3.88 -0.17 0.00 0.04 0.00 0.00 34.50 30.42 1n5a s PRO 250 CO -0.02 -0.86 0.67 -0.11 0.04 0.00 0.00 177.00 176.72 1n5a n LEU 251 N 6.64 -0.81 0.00 -3.56 0.00 0.10 -1.11 117.00 118.27 1n5a n LEU 251 Ca 0.18 1.14 0.00 0.00 0.00 0.00 0.00 56.01 57.33 1n5a n LEU 251 Cb 0.41 -0.96 0.00 0.00 0.00 0.00 0.00 43.42 42.86 1n5a n LEU 251 CO 0.65 -2.67 0.00 0.61 0.00 0.00 0.00 177.39 175.99 1n5a n GLY 252 N 1.87 1.76 2.43 -3.96 0.00 -1.26 -4.83 105.19 101.20 1n5a n GLY 252 Ca 0.18 -0.24 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 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 3.81 -0.78 1.61 4.76 -0.27 -4.53 118.16 122.77 1n5a n LYS 253 Ca 0.00 -2.63 0.01 0.00 -2.87 0.00 0.00 58.31 52.82 1n5a n LYS 253 Cb 0.00 -2.83 0.00 0.00 -1.84 0.00 0.00 35.03 30.37 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 3.46 0.00 -0.04 1.97 0.28 -1.26 -4.55 120.64 120.51 1n5a n GLU 254 Ca 0.70 -1.22 0.02 0.00 -0.16 0.00 0.00 57.16 56.49 1n5a n GLU 254 Cb 0.26 -0.32 -0.13 0.00 1.43 0.00 0.00 31.44 32.69 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 0.13 0.91 0.00 3.44 1.13 -1.26 -4.08 117.38 117.66 1n5a n GLN 255 Ca 0.01 -0.09 0.00 0.00 -1.94 0.00 0.00 57.00 54.98 1n5a n GLN 255 Cb 0.81 -1.40 0.00 0.00 0.11 0.00 0.00 30.24 29.76 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 -2.29 0.20 -4.34 1.08 6.94 -1.26 -4.59 115.26 110.99 1n5a n ASN 256 Ca -0.13 -1.74 -0.33 0.00 -0.02 0.00 0.00 54.58 52.36 1n5a n ASN 256 Cb 0.68 -0.10 -0.14 0.00 -2.36 0.00 0.00 39.78 37.86 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 -1.77 2.85 0.03 -2.53 1.51 -1.26 -2.09 117.35 114.08 1n5a s TYR 257 Ca 0.00 -0.79 0.06 0.00 -1.01 0.00 0.00 57.07 55.33 1n5a s TYR 257 Cb 0.00 -1.91 -0.02 0.00 -0.11 0.00 0.00 41.96 39.91 1n5a s TYR 257 CO 0.00 -0.34 -0.19 0.95 -1.11 0.00 0.00 175.55 174.87 1n5a s THR 258 N 0.70 1.49 -0.03 -0.71 -4.23 -0.71 -4.58 115.64 107.57 1n5a s THR 258 Ca -0.06 -1.07 0.01 0.00 -1.18 0.00 0.00 61.69 59.39 1n5a s THR 258 Cb -0.15 -1.29 -0.03 0.00 1.34 0.00 0.00 72.50 72.36 1n5a s THR 258 CO 0.02 0.19 -0.01 0.00 -0.54 0.00 0.00 174.62 174.28 1n5a s ARG 260 N -1.31 1.98 -0.16 0.00 1.81 0.13 -1.02 118.95 120.38 1n5a s ARG 260 Ca 0.17 -0.81 0.01 0.00 -1.72 0.00 0.00 55.73 53.38 1n5a s ARG 260 Cb -0.11 -1.84 0.02 0.00 -0.45 0.00 0.00 34.95 32.57 1n5a s ARG 260 CO 0.07 0.44 -0.19 0.08 -0.68 0.00 0.00 175.30 175.02 1n5a s VAL 261 N -0.40 1.95 -0.33 3.52 1.01 -0.59 -1.92 120.40 123.64 1n5a s VAL 261 Ca 0.05 -0.88 -0.06 0.00 0.00 0.00 0.00 61.98 61.09 1n5a s VAL 261 Cb -0.10 -1.76 0.04 0.00 0.00 0.00 0.00 36.38 34.55 1n5a s VAL 261 CO 0.00 0.52 0.10 -0.31 0.00 0.00 0.00 175.10 175.41 1n5a s TYR 262 N 1.22 3.25 0.18 5.22 1.51 -0.54 -0.30 117.35 127.89 1n5a s TYR 262 Ca 0.02 -1.43 0.01 0.00 -1.01 0.00 0.00 57.07 54.66 1n5a s TYR 262 Cb -0.14 -2.26 -0.05 0.00 -0.11 0.00 0.00 41.96 39.41 1n5a s TYR 262 CO -0.10 -0.73 0.03 -1.58 -1.11 0.00 0.00 175.55 172.07 1n5a s HIS 263 N 1.40 1.19 -0.67 2.71 2.46 -1.26 -2.39 115.29 118.72 1n5a s HIS 263 Ca -0.02 -1.10 0.23 0.00 0.47 0.00 0.00 55.06 54.64 1n5a s HIS 263 Cb -0.19 -0.68 0.04 0.00 -0.13 0.00 0.00 32.58 31.62 1n5a s HIS 263 CO 0.03 -0.30 1.03 -0.85 -2.47 0.00 0.00 174.74 172.17 1n5a n GLU 264 N -0.25 0.24 -1.19 2.88 0.28 -1.26 -3.52 120.64 117.82 1n5a n GLU 264 Ca -0.05 -0.01 -0.22 0.00 -0.16 0.00 0.00 57.16 56.72 1n5a n GLU 264 Cb 0.64 -1.57 0.18 0.00 1.43 0.00 0.00 31.44 32.12 1n5a n GLU 264 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1n5a n GLY 265 N 1.39 4.57 3.48 -1.84 0.00 -1.26 -4.91 105.19 106.61 1n5a n GLY 265 Ca 0.02 -1.13 -0.35 0.00 0.00 0.00 0.00 46.02 44.57 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 -3.31 3.37 0.17 0.99 2.96 -1.23 -4.69 118.68 116.94 1n5a s LEU 266 Ca 0.56 -0.15 -0.27 0.00 -0.22 0.00 0.00 54.13 54.04 1n5a s LEU 266 Cb 0.47 -1.86 0.01 0.00 0.50 0.00 0.00 46.19 45.31 1n5a s LEU 266 CO 0.10 0.07 1.56 -0.65 -1.32 0.00 0.00 176.35 176.11 1n5a h PRO 267 N 7.42 -0.18 -4.06 0.98 0.11 -1.91 -3.44 132.00 130.92 1n5a h PRO 267 Ca -0.36 0.01 -0.14 0.00 0.11 0.00 0.00 66.00 65.63 1n5a h PRO 267 Cb 1.18 0.04 -0.13 0.00 0.11 0.00 0.00 31.00 32.20 1n5a h PRO 267 CO 0.62 -0.12 -0.38 -1.21 -0.21 0.00 0.00 178.00 176.70 1n5a s GLU 268 N -5.73 1.24 0.55 1.05 2.02 -1.26 -5.13 118.70 111.43 1n5a s GLU 268 Ca -0.14 -1.34 -0.21 0.00 0.02 0.00 0.00 54.97 53.31 1n5a s GLU 268 Cb 0.13 0.36 -0.05 0.00 0.10 0.00 0.00 34.13 34.67 1n5a s GLU 268 CO 0.65 -0.45 1.28 -2.14 0.02 0.00 0.00 175.26 174.62 1n5a s PRO 269 N -4.04 3.14 0.50 0.39 0.02 -1.26 -4.90 135.00 128.84 1n5a s PRO 269 Ca 0.25 2.04 -0.13 0.00 0.02 0.00 0.00 61.00 63.18 1n5a s PRO 269 Cb 0.04 -2.16 -0.07 0.00 0.02 0.00 0.00 34.50 32.33 1n5a s PRO 269 CO 0.06 -1.13 0.92 -0.51 -0.33 0.00 0.00 177.00 176.00 1n5a s LEU 270 N -3.66 3.62 -0.07 -5.54 1.43 0.59 -4.83 118.68 110.22 1n5a s LEU 270 Ca 0.73 1.38 -0.00 0.00 -1.03 0.00 0.00 54.13 55.21 1n5a s LEU 270 Cb -0.36 -4.32 0.02 0.00 0.03 0.00 0.00 46.19 41.57 1n5a s LEU 270 CO 0.41 -0.58 -0.04 -0.89 0.23 0.00 0.00 176.35 175.49 1n5a s THR 271 N -2.65 0.60 0.11 5.49 2.01 -1.26 -1.55 115.64 118.39 1n5a s THR 271 Ca 0.55 -0.08 0.01 0.00 0.31 0.00 0.00 61.69 62.49 1n5a s THR 271 Cb -0.10 -0.66 -0.04 0.00 0.01 0.00 0.00 72.50 71.70 1n5a s THR 271 CO 0.36 0.27 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.75 1n5a s LEU 272 N 1.45 2.42 0.00 4.42 1.43 -0.19 -4.96 118.68 123.25 1n5a s LEU 272 Ca -0.02 -1.04 0.04 0.00 -1.03 0.00 0.00 54.13 52.07 1n5a s LEU 272 Cb -0.13 -0.04 -0.01 0.00 0.03 0.00 0.00 46.19 46.03 1n5a s LEU 272 CO -0.03 -0.50 0.24 -2.11 0.23 0.00 0.00 176.35 174.17 1n5a n ARG 273 N -0.07 0.34 0.00 1.70 0.00 -1.26 0.13 116.66 117.49 1n5a n ARG 273 Ca -0.11 -2.24 0.00 0.00 -0.00 0.00 0.00 57.85 55.50 1n5a n ARG 273 Cb 0.61 1.91 0.00 0.00 -0.00 0.00 0.00 32.46 34.98 1n5a n ARG 273 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.63 179.50