#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n5a n PRO 2 N 0.00 1.53 -4.14 1.61 -0.02 -1.26 -4.35 135.00 128.37 1n5a n PRO 2 Ca 0.00 0.57 -0.11 0.00 -2.02 0.00 0.00 63.50 61.93 1n5a n PRO 2 Cb 0.00 -2.50 -0.08 0.00 -0.02 0.00 0.00 33.50 30.90 1n5a n PRO 2 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 1n5a s HIS 3 N -1.32 0.94 0.14 6.00 3.76 -0.65 -4.93 115.29 119.24 1n5a s HIS 3 Ca 0.73 -1.19 -0.25 0.00 -0.15 0.00 0.00 55.06 54.20 1n5a s HIS 3 Cb -0.42 -0.32 0.07 0.00 1.11 0.00 0.00 32.58 33.02 1n5a s HIS 3 CO 0.48 -0.77 1.01 -1.54 -0.85 0.00 0.00 174.74 173.07 1n5a s SER 4 N -3.13 -0.13 -0.07 1.40 1.04 -1.26 -0.40 113.70 111.14 1n5a s SER 4 Ca 0.34 -0.43 -0.07 0.00 0.48 0.00 0.00 55.95 56.26 1n5a s SER 4 Cb 0.04 0.46 0.02 0.00 0.10 0.00 0.00 66.02 66.64 1n5a s SER 4 CO 0.12 -0.86 0.20 -0.32 0.98 0.00 0.00 173.24 173.36 1n5a s MET 5 N -3.00 0.26 0.02 4.02 1.75 -0.79 0.07 119.30 121.65 1n5a s MET 5 Ca 0.14 0.24 -0.01 0.00 -1.25 0.00 0.00 55.69 54.81 1n5a s MET 5 Cb -0.01 0.13 -0.02 0.00 2.84 0.00 0.00 34.83 37.77 1n5a s MET 5 CO 0.02 -0.04 -0.01 1.03 -0.65 0.00 0.00 175.02 175.37 1n5a s ARG 6 N -0.01 0.38 -0.13 4.11 1.81 -0.07 -2.38 118.95 122.66 1n5a s ARG 6 Ca -0.01 -0.69 -0.00 0.00 -1.72 0.00 0.00 55.73 53.31 1n5a s ARG 6 Cb -0.02 0.14 0.03 0.00 -0.45 0.00 0.00 34.95 34.64 1n5a s ARG 6 CO 0.00 -0.07 -0.10 0.71 -0.68 0.00 0.00 175.30 175.17 1n5a s TYR 7 N -1.85 1.72 -0.39 -0.53 1.51 0.75 0.35 117.35 118.91 1n5a s TYR 7 Ca -0.12 -0.92 -0.10 0.00 -1.01 0.00 0.00 57.07 54.92 1n5a s TYR 7 Cb -0.07 -1.36 0.05 0.00 -0.11 0.00 0.00 41.96 40.47 1n5a s TYR 7 CO -0.02 -0.57 0.21 -0.06 -1.11 0.00 0.00 175.55 174.00 1n5a s PHE 8 N 1.63 3.28 -0.05 2.71 0.40 0.83 -1.81 117.98 124.97 1n5a s PHE 8 Ca 0.05 -1.23 -0.02 0.00 -0.60 0.00 0.00 56.93 55.12 1n5a s PHE 8 Cb -0.13 -2.61 -0.04 0.00 0.51 0.00 0.00 43.02 40.75 1n5a s PHE 8 CO -0.09 -0.74 0.06 -1.21 0.70 0.00 0.00 175.22 173.95 1n5a s GLU 9 N 1.49 3.10 0.00 0.44 2.02 0.14 -0.86 118.70 125.04 1n5a s GLU 9 Ca 0.02 -0.39 0.03 0.00 0.02 0.00 0.00 54.97 54.64 1n5a s GLU 9 Cb -0.21 -2.89 -0.01 0.00 0.10 0.00 0.00 34.13 31.12 1n5a s GLU 9 CO 0.04 0.69 -0.08 0.99 0.02 0.00 0.00 175.26 176.92 1n5a s THR 10 N -1.05 0.64 -0.09 3.63 2.01 0.73 -0.29 115.64 121.21 1n5a s THR 10 Ca 0.18 -0.47 0.00 0.00 0.31 0.00 0.00 61.69 61.71 1n5a s THR 10 Cb -0.12 -0.57 0.02 0.00 0.01 0.00 0.00 72.50 71.85 1n5a s THR 10 CO 0.08 0.10 -0.08 0.00 -0.69 0.00 0.00 174.62 174.02 1n5a s ALA 11 N -0.37 1.24 -0.10 7.40 0.00 0.45 -1.09 121.76 129.29 1n5a s ALA 11 Ca 0.01 -0.46 0.03 0.00 0.00 0.00 0.00 51.96 51.54 1n5a s ALA 11 Cb -0.04 -0.78 -0.00 0.00 0.00 0.00 0.00 23.12 22.30 1n5a s ALA 11 CO -0.00 -0.24 -0.21 0.08 0.00 0.00 0.00 175.76 175.39 1n5a s VAL 12 N 1.37 2.33 -0.09 0.00 1.01 -0.31 -1.07 120.40 123.65 1n5a s VAL 12 Ca -0.02 -0.92 -0.00 0.00 0.00 0.00 0.00 61.98 61.04 1n5a s VAL 12 Cb -0.14 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.30 1n5a s VAL 12 CO -0.04 0.55 -0.07 -0.94 0.00 0.00 0.00 175.10 174.60 1n5a s SER 13 N 0.30 4.62 0.05 3.32 1.04 0.39 -1.00 113.70 122.42 1n5a s SER 13 Ca -0.16 -0.07 0.05 0.00 0.48 0.00 0.00 55.95 56.25 1n5a s SER 13 Cb -0.17 -1.34 -0.02 0.00 0.10 0.00 0.00 66.02 64.58 1n5a s SER 13 CO 0.08 0.30 -0.14 -0.13 0.98 0.00 0.00 173.24 174.33 1n5a s ARG 14 N -0.45 0.90 0.82 4.02 0.52 -1.26 -1.41 118.95 122.09 1n5a s ARG 14 Ca 0.07 -0.83 -0.14 0.00 -0.52 0.00 0.00 55.73 54.31 1n5a s ARG 14 Cb -0.12 -0.91 0.04 0.00 0.52 0.00 0.00 34.95 34.47 1n5a s ARG 14 CO 0.02 0.22 0.81 -2.30 0.02 0.00 0.00 175.30 174.06 1n5a n PRO 15 N 1.68 0.09 0.00 3.54 -0.02 -1.18 -4.46 135.00 134.66 1n5a n PRO 15 Ca -0.19 0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.38 1n5a n PRO 15 Cb 0.54 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 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 1.11 2.23 1.37 -1.23 0.00 -1.26 -4.76 105.19 102.65 1n5a n GLY 16 Ca 0.11 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.56 1n5a n GLY 16 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1n5a n LEU 17 N 0.00 1.25 0.00 0.99 7.94 -1.26 -4.80 117.00 121.11 1n5a n LEU 17 Ca 0.00 -0.59 0.00 0.00 -1.11 0.00 0.00 56.01 54.31 1n5a n LEU 17 Cb 0.00 -0.24 0.00 0.00 0.53 0.00 0.00 43.42 43.71 1n5a n LEU 17 CO 0.00 0.22 0.00 -0.62 -1.11 0.00 0.00 177.39 175.88 1n5a n GLU 18 N 1.28 1.16 -4.18 1.96 -0.58 -1.26 -5.06 120.64 113.96 1n5a n GLU 18 Ca 0.00 0.00 -0.26 0.00 -0.42 0.00 0.00 57.16 56.48 1n5a n GLU 18 Cb 0.15 0.00 -0.07 0.00 -0.57 0.00 0.00 31.44 30.95 1n5a n GLU 18 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1n5a s GLU 19 N -1.29 2.53 0.75 3.49 0.41 -1.26 -4.97 118.70 118.36 1n5a s GLU 19 Ca 0.00 -1.06 -0.15 0.00 -0.41 0.00 0.00 54.97 53.35 1n5a s GLU 19 Cb 0.00 -2.42 0.05 0.00 -1.78 0.00 0.00 34.13 29.98 1n5a s GLU 19 CO 0.00 0.46 1.21 -1.25 -0.49 0.00 0.00 175.26 175.18 1n5a s PRO 20 N -3.04 2.03 -0.07 0.39 0.04 -1.26 -4.85 135.00 128.24 1n5a s PRO 20 Ca 0.29 1.76 -0.15 0.00 0.04 0.00 0.00 61.00 62.93 1n5a s PRO 20 Cb -0.09 -1.82 -0.05 0.00 0.04 0.00 0.00 34.50 32.58 1n5a s PRO 20 CO 0.20 -1.92 0.39 0.50 0.04 0.00 0.00 177.00 176.22 1n5a s ARG 21 N -3.96 4.10 -0.16 4.56 3.52 -0.17 -4.87 118.95 121.96 1n5a s ARG 21 Ca 0.74 0.34 0.01 0.00 -0.13 0.00 0.00 55.73 56.68 1n5a s ARG 21 Cb -0.29 -3.33 0.01 0.00 -1.56 0.00 0.00 34.95 29.78 1n5a s ARG 21 CO 0.46 0.44 -0.18 -0.47 -0.81 0.00 0.00 175.30 174.74 1n5a s TYR 22 N -0.24 2.76 -0.07 5.12 6.14 -1.26 -1.16 117.35 128.63 1n5a s TYR 22 Ca 0.22 -1.32 0.05 0.00 0.64 0.00 0.00 57.07 56.67 1n5a s TYR 22 Cb -0.15 -1.89 -0.01 0.00 0.42 0.00 0.00 41.96 40.33 1n5a s TYR 22 CO 0.10 -0.63 -0.24 0.42 0.64 0.00 0.00 175.55 175.85 1n5a s ILE 23 N 1.02 1.98 -0.11 3.14 1.09 -0.25 -1.02 121.20 127.04 1n5a s ILE 23 Ca -0.02 -1.01 0.03 0.00 -1.10 0.00 0.00 60.65 58.55 1n5a s ILE 23 Cb -0.15 -1.69 0.01 0.00 -1.06 0.00 0.00 42.46 39.57 1n5a s ILE 23 CO -0.05 0.55 -0.19 -0.55 -0.10 0.00 0.00 174.94 174.60 1n5a s SER 24 N 0.05 2.70 -0.10 3.58 0.15 -0.35 -0.19 113.70 119.53 1n5a s SER 24 Ca -0.09 -0.49 0.03 0.00 0.70 0.00 0.00 55.95 56.09 1n5a s SER 24 Cb -0.15 -1.23 0.01 0.00 -1.71 0.00 0.00 66.02 62.94 1n5a s SER 24 CO 0.05 0.07 -0.18 -0.69 1.20 0.00 0.00 173.24 173.69 1n5a s VAL 25 N 0.76 1.64 0.09 4.45 1.01 -0.04 -1.25 120.40 127.05 1n5a s VAL 25 Ca -0.10 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.15 1n5a s VAL 25 Cb -0.16 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.72 1n5a s VAL 25 CO 0.01 0.47 0.12 -0.83 0.00 0.00 0.00 175.10 174.88 1n5a s GLY 26 N 0.73 2.02 -0.05 4.51 0.00 -1.01 -0.12 107.32 113.40 1n5a s GLY 26 Ca -0.12 -0.99 -0.02 0.00 0.00 0.00 0.00 44.72 43.60 1n5a s GLY 26 CO 0.02 -0.97 0.04 -0.19 0.00 0.00 0.00 173.10 172.00 1n5a s TYR 27 N -1.47 0.26 -0.78 1.90 1.51 0.15 -1.45 117.35 117.48 1n5a s TYR 27 Ca 0.31 0.11 -0.17 0.00 -1.01 0.00 0.00 57.07 56.31 1n5a s TYR 27 Cb -0.12 -0.58 0.15 0.00 -0.11 0.00 0.00 41.96 41.30 1n5a s TYR 27 CO 0.24 -0.23 0.86 0.08 -1.11 0.00 0.00 175.55 175.39 1n5a s VAL 28 N 2.06 5.08 -0.76 0.71 1.01 -0.96 -0.89 120.40 126.65 1n5a s VAL 28 Ca 0.04 -1.71 -0.02 0.00 0.00 0.00 0.00 61.98 60.30 1n5a s VAL 28 Cb -0.12 -4.57 -0.02 0.00 0.00 0.00 0.00 36.38 31.67 1n5a s VAL 28 CO -0.04 -1.21 0.70 -0.90 0.00 0.00 0.00 175.10 173.65 1n5a n ASP 29 N 5.55 -7.02 -3.46 3.32 5.75 0.11 -4.14 116.55 116.67 1n5a n ASP 29 Ca 0.09 -0.24 -0.25 0.00 -0.01 0.00 0.00 54.79 54.39 1n5a n ASP 29 Cb 0.46 -4.92 0.05 0.00 -1.03 0.00 0.00 41.12 35.68 1n5a n ASP 29 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1n5a n ASN 30 N -2.11 -5.92 -3.70 -1.12 3.02 -1.26 -4.97 115.26 99.20 1n5a n ASN 30 Ca -0.02 -0.49 -0.14 0.00 -0.03 0.00 0.00 54.58 53.90 1n5a n ASN 30 Cb 0.53 -4.71 -0.14 0.00 -0.61 0.00 0.00 39.78 34.85 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 -6.16 0.12 0.16 3.52 1.02 -1.26 -5.09 119.74 112.06 1n5a s LYS 31 Ca 0.50 0.57 -0.33 0.00 0.02 0.00 0.00 55.97 56.73 1n5a s LYS 31 Cb -0.23 -0.15 -0.16 0.00 -0.52 0.00 0.00 37.83 36.78 1n5a s LYS 31 CO 0.62 -0.24 1.18 -1.91 -0.92 0.00 0.00 175.35 174.08 1n5a n GLU 32 N 4.84 1.17 0.00 1.68 2.13 -1.26 -2.26 120.64 126.93 1n5a n GLU 32 Ca -0.15 0.42 0.00 0.00 0.66 0.00 0.00 57.16 58.09 1n5a n GLU 32 Cb 0.51 -1.93 0.00 0.00 0.27 0.00 0.00 31.44 30.29 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 1.59 0.00 -4.11 4.31 -1.74 -0.53 -4.46 117.46 112.52 1n5a n PHE 33 Ca 0.15 0.00 -0.11 0.00 -0.56 0.00 0.00 57.45 56.94 1n5a n PHE 33 Cb 0.24 0.00 -0.09 0.00 1.52 0.00 0.00 39.48 41.16 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 -0.66 0.03 -0.25 1.97 -7.23 -1.22 -0.78 120.40 112.25 1n5a s VAL 34 Ca 0.00 -1.76 -0.26 0.00 -1.81 0.00 0.00 61.98 58.15 1n5a s VAL 34 Cb 0.00 -2.24 0.11 0.00 0.56 0.00 0.00 36.38 34.80 1n5a s VAL 34 CO 0.00 -0.14 0.92 -0.60 -0.31 0.00 0.00 175.10 174.98 1n5a s ARG 35 N -4.08 0.64 0.02 4.82 3.52 -0.90 -2.41 118.95 120.56 1n5a s ARG 35 Ca 0.29 0.64 0.04 0.00 -0.13 0.00 0.00 55.73 56.58 1n5a s ARG 35 Cb 0.05 0.31 -0.02 0.00 -1.56 0.00 0.00 34.95 33.73 1n5a s ARG 35 CO 0.07 -0.10 -0.13 0.12 -0.81 0.00 0.00 175.30 174.45 1n5a s PHE 36 N 0.05 1.18 -0.25 5.12 2.19 -0.38 0.69 117.98 126.58 1n5a s PHE 36 Ca 0.01 -0.30 -0.02 0.00 0.33 0.00 0.00 56.93 56.95 1n5a s PHE 36 Cb -0.04 -0.72 0.13 0.00 -1.31 0.00 0.00 43.02 41.08 1n5a s PHE 36 CO -0.03 0.01 0.34 0.34 1.83 0.00 0.00 175.22 177.72 1n5a s ASP 37 N -0.80 0.62 0.62 6.13 -1.08 -1.26 -1.21 116.67 119.69 1n5a s ASP 37 Ca 0.03 -0.04 0.30 0.00 -0.52 0.00 0.00 52.55 52.32 1n5a s ASP 37 Cb -0.07 0.92 1.62 0.00 -1.46 0.00 0.00 42.92 43.93 1n5a s ASP 37 CO 0.01 -0.32 1.97 0.77 0.52 0.00 0.00 175.17 178.12 1n5a h SER 38 N 8.21 0.00 1.51 -0.34 4.64 -1.47 -1.61 113.55 124.49 1n5a h SER 38 Ca -0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 1n5a h SER 38 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1n5a h SER 38 CO 0.28 0.00 0.00 0.44 -0.87 0.00 0.00 176.83 176.68 1n5a h ASP 39 N 0.00 0.00 -3.41 4.97 5.19 -1.95 -3.46 116.42 117.76 1n5a h ASP 39 Ca 0.09 0.00 -0.51 0.00 -0.62 0.00 0.00 57.03 55.99 1n5a h ASP 39 Cb 0.77 0.00 0.22 0.00 0.18 0.00 0.00 39.33 40.49 1n5a h ASP 39 CO -0.00 0.00 -0.46 0.00 -3.12 0.00 0.00 179.24 175.66 1n5a n ALA 40 N -2.09 -2.49 -0.10 3.45 0.00 -0.61 -4.91 120.51 113.76 1n5a n ALA 40 Ca 0.02 -0.72 -0.14 0.00 0.00 0.00 0.00 53.44 52.60 1n5a n ALA 40 Cb 0.42 -1.85 -0.03 0.00 0.00 0.00 0.00 19.45 17.99 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 -1.76 0.92 -2.86 0.00 4.81 -1.89 -3.34 114.58 110.45 1n5a h GLU 41 Ca -0.46 -0.52 -0.61 0.00 -0.13 0.00 0.00 59.36 57.64 1n5a h GLU 41 Cb 1.29 0.04 -0.41 0.00 0.63 0.00 0.00 28.75 30.29 1n5a h GLU 41 CO 0.37 1.17 -0.63 -1.71 -0.73 0.00 0.00 179.01 177.48 1n5a n ASN 42 N -4.04 2.68 -4.69 1.04 5.15 -1.26 -5.08 115.26 109.06 1n5a n ASN 42 Ca -0.03 -3.14 -0.53 0.00 -0.60 0.00 0.00 54.58 50.28 1n5a n ASN 42 Cb 0.58 -0.72 -0.06 0.00 -0.53 0.00 0.00 39.78 39.05 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 1.89 1.58 -3.48 1.20 -0.02 -1.26 -4.92 135.00 129.99 1n5a n PRO 43 Ca 0.22 0.58 -0.13 0.00 -2.02 0.00 0.00 63.50 62.15 1n5a n PRO 43 Cb 0.38 -2.32 -0.03 0.00 -0.02 0.00 0.00 33.50 31.50 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 3.42 1.07 0.01 -0.52 0.52 -1.26 -5.02 118.95 117.16 1n5a s ARG 44 Ca 0.94 -0.16 -0.30 0.00 -0.52 0.00 0.00 55.73 55.69 1n5a s ARG 44 Cb -0.91 0.50 -0.04 0.00 0.52 0.00 0.00 34.95 35.02 1n5a s ARG 44 CO 0.58 -0.42 1.18 0.71 0.02 0.00 0.00 175.30 177.37 1n5a s TYR 45 N -2.63 3.35 0.11 -0.53 2.02 -1.26 -4.29 117.35 114.13 1n5a s TYR 45 Ca -0.02 1.30 0.07 0.00 -0.37 0.00 0.00 57.07 58.05 1n5a s TYR 45 Cb -0.01 -3.40 -0.04 0.00 -0.40 0.00 0.00 41.96 38.12 1n5a s TYR 45 CO -0.04 -1.19 -0.11 -1.21 -1.57 0.00 0.00 175.55 171.44 1n5a s GLU 46 N 1.52 2.09 0.33 -0.62 0.41 0.22 -4.88 118.70 117.78 1n5a s GLU 46 Ca 0.57 -1.05 -0.28 0.00 -0.41 0.00 0.00 54.97 53.80 1n5a s GLU 46 Cb -0.27 -2.28 -0.10 0.00 -1.78 0.00 0.00 34.13 29.70 1n5a s GLU 46 CO 0.26 0.50 1.23 -2.14 -0.49 0.00 0.00 175.26 174.63 1n5a s PRO 47 N -2.23 4.37 0.00 0.39 0.02 -1.26 -2.11 135.00 134.18 1n5a s PRO 47 Ca 0.21 2.05 0.00 0.00 0.02 0.00 0.00 61.00 63.28 1n5a s PRO 47 Cb -0.11 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.38 1n5a s PRO 47 CO 0.13 -0.12 0.23 0.54 -0.33 0.00 0.00 177.00 177.46 1n5a n ARG 48 N 0.76 0.92 -4.08 5.54 5.12 0.04 -4.91 116.66 120.06 1n5a n ARG 48 Ca 0.00 -0.23 -0.12 0.00 -1.93 0.00 0.00 57.85 55.57 1n5a n ARG 48 Cb 0.43 -0.68 -0.11 0.00 -1.16 0.00 0.00 32.46 30.95 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 -0.20 0.65 0.22 7.54 0.00 -1.24 -4.73 121.76 124.00 1n5a s ALA 49 Ca 0.00 -0.88 -0.09 0.00 0.00 0.00 0.00 51.96 50.99 1n5a s ALA 49 Cb 0.00 0.07 0.18 0.00 0.00 0.00 0.00 23.12 23.37 1n5a s ALA 49 CO 0.00 -0.06 1.86 -1.00 0.00 0.00 0.00 175.76 176.56 1n5a h PRO 50 N 4.19 1.13 -0.03 0.00 0.13 -1.95 -2.28 132.00 133.19 1n5a h PRO 50 Ca -0.36 -0.10 0.01 0.00 -0.87 0.00 0.00 66.00 64.68 1n5a h PRO 50 Cb 1.19 -0.24 -0.00 0.00 0.13 0.00 0.00 31.00 32.09 1n5a h PRO 50 CO 0.45 0.80 0.03 0.11 -0.23 0.00 0.00 178.00 179.16 1n5a h TRP 51 N 1.14 0.00 0.00 1.56 5.08 -1.97 -1.64 115.95 120.12 1n5a h TRP 51 Ca 0.30 0.00 -0.08 0.00 1.08 0.00 0.00 58.89 60.19 1n5a h TRP 51 Cb -0.04 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.11 1n5a h TRP 51 CO -0.00 0.00 -0.37 0.52 -1.28 0.00 0.00 178.44 177.31 1n5a h MET 52 N 0.00 0.00 0.00 0.12 2.86 -1.76 -3.12 114.93 113.03 1n5a h MET 52 Ca 0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1n5a h MET 52 Cb 0.08 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.74 1n5a h MET 52 CO -0.00 0.37 0.17 0.39 1.06 0.00 0.00 176.91 178.90 1n5a n GLU 53 N -3.51 0.00 0.00 1.72 1.02 -0.62 -1.58 120.64 117.67 1n5a n GLU 53 Ca -0.00 0.17 -0.13 0.00 -0.02 0.00 0.00 57.16 57.19 1n5a n GLU 53 Cb 0.51 -1.67 -0.09 0.00 -0.02 0.00 0.00 31.44 30.18 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 0.02 -6.43 3.49 4.20 -1.77 -3.44 115.11 111.18 1n5a h GLN 54 Ca 0.00 -0.01 -0.62 0.00 0.06 0.00 0.00 58.65 58.08 1n5a h GLN 54 Cb 0.34 -0.00 0.08 0.00 0.30 0.00 0.00 27.48 28.20 1n5a h GLN 54 CO 0.00 0.32 0.42 0.39 -0.67 0.00 0.00 178.83 179.29 1n5a n GLU 55 N -4.93 1.52 -1.80 1.46 -0.58 -0.61 -4.96 120.64 110.74 1n5a n GLU 55 Ca -0.08 0.54 -0.24 0.00 -0.42 0.00 0.00 57.16 56.97 1n5a n GLU 55 Cb 0.17 -2.11 0.16 0.00 -0.57 0.00 0.00 31.44 29.09 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 2.10 -0.88 0.33 0.62 0.00 -1.26 -4.87 105.19 101.23 1n5a n GLY 56 Ca 0.14 -1.79 0.17 0.00 0.00 0.00 0.00 46.02 44.54 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 0.37 -0.27 1.61 0.11 -1.97 -1.74 132.00 130.09 1n5a h PRO 57 Ca -0.34 -0.02 0.06 0.00 0.11 0.00 0.00 66.00 65.81 1n5a h PRO 57 Cb 1.02 -0.08 -0.07 0.00 0.11 0.00 0.00 31.00 31.98 1n5a h PRO 57 CO 0.27 0.24 -0.17 1.05 -0.21 0.00 0.00 178.00 179.18 1n5a h GLU 58 N 0.38 -0.14 0.06 1.05 4.11 -1.99 0.30 114.58 118.34 1n5a h GLU 58 Ca 0.63 0.01 0.02 0.00 0.07 0.00 0.00 59.36 60.09 1n5a h GLU 58 Cb 1.29 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.53 1n5a h GLU 58 CO -0.57 -0.09 -0.23 -0.92 0.07 0.00 0.00 179.01 177.27 1n5a h TYR 59 N -0.15 -0.60 -0.74 2.06 5.03 -1.66 -2.55 116.97 118.36 1n5a h TYR 59 Ca 0.15 0.02 -0.06 0.00 2.58 0.00 0.00 58.73 61.41 1n5a h TYR 59 Cb 0.37 0.26 -0.03 0.00 1.55 0.00 0.00 36.73 38.88 1n5a h TYR 59 CO -0.35 -0.32 0.22 -1.49 -1.32 0.00 0.00 178.16 174.90 1n5a h TRP 60 N -0.39 1.20 -0.33 -3.82 4.06 -1.30 -1.98 115.95 113.38 1n5a h TRP 60 Ca 0.04 -0.13 0.05 0.00 2.06 0.00 0.00 58.89 60.92 1n5a h TRP 60 Cb 0.44 -0.35 -0.05 0.00 -1.00 0.00 0.00 29.16 28.21 1n5a h TRP 60 CO -0.24 0.95 0.04 0.93 -3.56 0.00 0.00 178.44 176.57 1n5a h GLU 61 N 1.11 0.15 0.04 0.49 5.08 -0.88 -0.15 114.58 120.41 1n5a h GLU 61 Ca 0.24 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1n5a h GLU 61 Cb 0.32 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1n5a h GLU 61 CO -0.01 0.10 -0.02 -0.09 -1.00 0.00 0.00 179.01 177.99 1n5a h ARG 62 N 0.15 -0.05 -0.40 2.33 2.43 -1.00 -0.94 114.38 116.89 1n5a h ARG 62 Ca 0.16 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.30 1n5a h ARG 62 Cb 0.19 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.73 1n5a h ARG 62 CO -0.23 0.08 0.10 0.93 -1.51 0.00 0.00 179.97 179.34 1n5a h GLU 63 N -0.17 0.59 -0.21 0.20 4.39 -1.27 -1.72 114.58 116.40 1n5a h GLU 63 Ca -0.01 -0.10 -0.00 0.00 0.34 0.00 0.00 59.36 59.60 1n5a h GLU 63 Cb 0.15 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 1n5a h GLU 63 CO 0.01 0.54 0.13 1.15 -1.16 0.00 0.00 179.01 179.68 1n5a h THR 64 N 0.58 1.08 -0.72 1.13 2.02 -0.29 -0.17 112.91 116.52 1n5a h THR 64 Ca 0.14 -0.18 0.01 0.00 0.77 0.00 0.00 66.41 67.15 1n5a h THR 64 Cb 0.21 0.82 -0.04 0.00 -1.74 0.00 0.00 68.15 67.40 1n5a h THR 64 CO -0.00 0.07 0.48 1.56 0.37 0.00 0.00 175.52 178.00 1n5a h GLN 65 N 0.26 0.96 -0.67 6.66 1.08 -0.67 0.09 115.11 122.82 1n5a h GLN 65 Ca 0.08 -0.06 -0.05 0.00 -1.45 0.00 0.00 58.65 57.16 1n5a h GLN 65 Cb 0.01 -0.21 -0.03 0.00 -0.05 0.00 0.00 27.48 27.19 1n5a h GLN 65 CO -0.01 0.64 0.22 0.87 -0.95 0.00 0.00 178.83 179.59 1n5a h LYS 66 N 0.98 1.03 0.12 1.46 1.57 -0.56 -0.70 116.57 120.48 1n5a h LYS 66 Ca 0.27 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1n5a h LYS 66 Cb -0.11 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.04 1n5a h LYS 66 CO -0.06 0.89 -0.10 0.00 -0.57 0.00 0.00 179.45 179.61 1n5a h ALA 67 N 1.09 -0.22 -0.19 3.86 0.00 0.62 0.33 119.26 124.74 1n5a h ALA 67 Ca 0.22 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.15 1n5a h ALA 67 Cb 0.28 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1n5a h ALA 67 CO -0.01 -0.64 0.15 0.87 0.00 0.00 0.00 179.25 179.62 1n5a h LYS 68 N -0.24 0.00 0.49 0.00 1.57 -0.64 0.28 116.57 118.03 1n5a h LYS 68 Ca -0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1n5a h LYS 68 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1n5a h LYS 68 CO -0.02 0.00 -0.24 0.78 -0.57 0.00 0.00 179.45 179.40 1n5a h GLY 69 N 0.00 -0.69 -0.11 3.86 0.00 0.67 -2.88 103.07 103.92 1n5a h GLY 69 Ca 0.09 0.26 0.14 0.00 0.00 0.00 0.00 47.33 47.82 1n5a h GLY 69 CO -0.00 -0.25 0.01 1.46 0.00 0.00 0.00 176.54 177.76 1n5a h GLN 70 N -0.93 0.12 -0.55 4.80 1.08 0.29 0.11 115.11 120.03 1n5a h GLN 70 Ca -0.07 -0.01 0.09 0.00 -1.45 0.00 0.00 58.65 57.21 1n5a h GLN 70 Cb 0.60 -0.03 -0.07 0.00 -0.05 0.00 0.00 27.48 27.93 1n5a h GLN 70 CO 0.11 0.08 0.18 1.49 -0.95 0.00 0.00 178.83 179.74 1n5a h GLU 71 N 0.12 0.33 -0.64 1.46 4.81 -0.92 0.60 114.58 120.34 1n5a h GLU 71 Ca 0.34 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.55 1n5a h GLU 71 Cb 0.56 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.83 1n5a h GLU 71 CO -0.55 0.22 0.40 1.96 -0.73 0.00 0.00 179.01 180.31 1n5a h GLN 72 N 0.34 0.86 -0.94 1.92 1.08 -0.62 -1.08 115.11 116.67 1n5a h GLN 72 Ca 0.28 -0.07 0.06 0.00 -1.45 0.00 0.00 58.65 57.47 1n5a h GLN 72 Cb 0.34 -0.18 -0.06 0.00 -0.05 0.00 0.00 27.48 27.53 1n5a h GLN 72 CO -0.30 0.60 0.61 2.35 -0.95 0.00 0.00 178.83 181.14 1n5a h TRP 73 N 0.87 1.11 -0.04 2.96 7.01 0.15 -0.93 115.95 127.08 1n5a h TRP 73 Ca 0.23 0.03 -0.21 0.00 2.11 0.00 0.00 58.89 61.05 1n5a h TRP 73 Cb -0.05 -0.36 -0.00 0.00 -2.10 0.00 0.00 29.16 26.65 1n5a h TRP 73 CO -0.02 0.59 -0.85 0.74 -2.79 0.00 0.00 178.44 176.10 1n5a h PHE 74 N 1.09 0.60 0.15 2.65 -1.00 0.52 -1.55 116.94 119.41 1n5a h PHE 74 Ca 0.40 -0.30 -0.01 0.00 2.81 0.00 0.00 57.97 60.87 1n5a h PHE 74 Cb 0.16 -0.08 0.00 0.00 3.61 0.00 0.00 35.95 39.65 1n5a h PHE 74 CO -0.00 1.10 -0.07 0.00 -1.61 0.00 0.00 178.31 177.72 1n5a h ARG 75 N 0.26 -0.20 -0.78 1.51 3.08 -0.52 0.25 114.38 117.99 1n5a h ARG 75 Ca -0.06 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1n5a h ARG 75 Cb 1.46 0.04 -0.04 0.00 0.08 0.00 0.00 29.97 31.52 1n5a h ARG 75 CO 0.15 -0.11 0.49 0.28 -1.07 0.00 0.00 179.97 179.71 1n5a h VAL 76 N -0.23 1.21 -0.38 2.04 2.07 -1.08 -1.09 116.25 118.79 1n5a h VAL 76 Ca -0.02 -0.42 -0.04 0.00 0.82 0.00 0.00 66.70 67.03 1n5a h VAL 76 Cb 0.18 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.03 1n5a h VAL 76 CO 0.03 0.21 0.07 0.28 0.02 0.00 0.00 177.57 178.18 1n5a h SER 77 N 1.06 0.61 -0.68 0.57 0.02 -1.08 -2.04 113.55 112.01 1n5a h SER 77 Ca 0.28 -0.26 0.13 0.00 -0.84 0.00 0.00 61.79 61.10 1n5a h SER 77 Cb -0.08 -0.16 -0.09 0.00 0.14 0.00 0.00 62.40 62.21 1n5a h SER 77 CO -0.06 0.71 0.22 0.25 -1.14 0.00 0.00 176.83 176.81 1n5a h LEU 78 N 0.48 0.15 -0.98 5.07 5.85 -0.60 0.61 115.31 125.89 1n5a h LEU 78 Ca 0.12 0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.92 1n5a h LEU 78 Cb 0.36 0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.46 1n5a h LEU 78 CO 0.01 0.07 0.39 -0.09 -0.34 0.00 0.00 178.44 178.48 1n5a h ARG 79 N 0.36 1.12 -0.22 1.25 2.43 -0.55 -2.73 114.38 116.04 1n5a h ARG 79 Ca 0.36 -0.15 -0.09 0.00 -0.81 0.00 0.00 59.98 59.29 1n5a h ARG 79 Cb 0.54 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 29.87 1n5a h ARG 79 CO -0.40 0.84 -0.22 -0.91 -1.51 0.00 0.00 179.97 177.78 1n5a h ASN 80 N 1.11 0.58 0.14 -3.80 2.35 0.76 -3.02 115.58 113.70 1n5a h ASN 80 Ca 0.27 -0.48 -0.02 0.00 -0.55 0.00 0.00 56.30 55.52 1n5a h ASN 80 Cb 0.08 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.29 1n5a h ASN 80 CO -0.04 0.94 -0.11 -0.07 -1.65 0.00 0.00 177.43 176.50 1n5a h LEU 81 N 0.23 0.00 -0.95 1.61 3.38 -0.77 -0.82 115.31 117.98 1n5a h LEU 81 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1n5a h LEU 81 Cb 0.77 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.48 1n5a h LEU 81 CO 0.05 0.11 0.61 0.25 0.09 0.00 0.00 178.44 179.55 1n5a h LEU 82 N 0.00 1.11 -0.01 1.67 5.85 -1.35 -1.30 115.31 121.28 1n5a h LEU 82 Ca -0.00 -0.04 -0.15 0.00 0.84 0.00 0.00 57.88 58.53 1n5a h LEU 82 Cb 0.21 -0.28 0.01 0.00 0.37 0.00 0.00 40.66 40.97 1n5a h LEU 82 CO 0.01 0.82 -0.57 1.23 -0.34 0.00 0.00 178.44 179.59 1n5a h GLY 83 N 1.29 0.45 0.76 3.75 0.00 -1.25 -0.77 103.07 107.30 1n5a h GLY 83 Ca 0.35 -0.77 0.13 0.00 0.00 0.00 0.00 47.33 47.04 1n5a h GLY 83 CO -0.07 0.68 0.49 -0.97 0.00 0.00 0.00 176.54 176.67 1n5a h TYR 84 N -0.11 0.53 -0.03 5.60 0.05 -1.00 -0.92 116.97 121.08 1n5a h TYR 84 Ca -0.07 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.73 1n5a h TYR 84 Cb 1.28 -0.17 0.00 0.00 1.01 0.00 0.00 36.73 38.85 1n5a h TYR 84 CO 0.15 0.21 -0.05 0.66 -1.05 0.00 0.00 178.16 178.08 1n5a n TYR 85 N -4.48 0.00 -3.44 4.88 4.01 -0.52 -4.82 117.16 112.79 1n5a n TYR 85 Ca 0.14 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.70 1n5a n TYR 85 Cb 0.47 -0.00 0.09 0.00 -0.31 0.00 0.00 39.34 39.59 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 1.01 -2.32 -4.76 7.72 5.15 -0.35 -4.96 115.26 116.75 1n5a n ASN 86 Ca 0.14 -0.61 -0.36 0.00 -0.60 0.00 0.00 54.58 53.15 1n5a n ASN 86 Cb 0.55 -5.12 -0.07 0.00 -0.53 0.00 0.00 39.78 34.61 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 -5.42 4.09 0.58 1.20 -0.21 -0.35 -5.04 119.66 114.50 1n5a s GLN 87 Ca 0.04 -0.05 -0.10 0.00 0.02 0.00 0.00 55.36 55.28 1n5a s GLN 87 Cb -0.02 -3.38 0.14 0.00 1.00 0.00 0.00 33.01 30.75 1n5a s GLN 87 CO 0.73 0.37 0.71 0.43 -2.12 0.00 0.00 175.29 175.41 1n5a n SER 88 N 3.21 -0.33 -4.91 5.90 7.64 -1.26 -4.75 113.62 119.12 1n5a n SER 88 Ca -0.15 -1.18 -0.28 0.00 1.01 0.00 0.00 58.87 58.28 1n5a n SER 88 Cb 0.52 -0.57 0.02 0.00 -1.01 0.00 0.00 64.21 63.18 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 -3.76 3.29 0.00 -0.43 0.00 -1.26 -4.48 121.76 115.12 1n5a s ALA 89 Ca 0.41 -0.52 0.00 0.00 0.00 0.00 0.00 51.96 51.85 1n5a s ALA 89 Cb -0.02 -2.68 0.00 0.00 0.00 0.00 0.00 23.12 20.42 1n5a s ALA 89 CO 0.30 -0.64 0.00 0.41 0.00 0.00 0.00 175.76 175.83 1n5a n GLY 90 N -2.51 1.34 3.53 0.00 0.00 -1.26 -5.11 105.19 101.18 1n5a n GLY 90 Ca 0.03 -0.13 -0.26 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.13 2.57 -0.01 -0.02 0.00 -1.26 -4.86 107.32 101.61 1n5a s GLY 91 Ca 0.00 -1.27 -0.00 0.00 0.00 0.00 0.00 44.72 43.44 1n5a s GLY 91 CO 0.00 -1.87 0.07 -0.56 0.00 0.00 0.00 173.10 170.74 1n5a s SER 92 N -3.62 5.62 0.03 1.64 0.01 -1.26 -3.09 113.70 113.04 1n5a s SER 92 Ca 0.24 0.14 -0.05 0.00 1.31 0.00 0.00 55.95 57.59 1n5a s SER 92 Cb 0.03 -1.60 -0.01 0.00 0.21 0.00 0.00 66.02 64.65 1n5a s SER 92 CO 0.13 0.28 0.08 -1.00 0.41 0.00 0.00 173.24 173.14 1n5a s HIS 93 N -1.17 0.21 -0.02 2.43 0.09 -0.50 -4.97 115.29 111.36 1n5a s HIS 93 Ca 0.22 -0.51 0.01 0.00 -0.00 0.00 0.00 55.06 54.78 1n5a s HIS 93 Cb -0.12 -0.15 0.01 0.00 -0.00 0.00 0.00 32.58 32.32 1n5a s HIS 93 CO 0.13 -0.34 -0.04 0.99 -0.00 0.00 0.00 174.74 175.47 1n5a s THR 94 N -2.48 0.42 -0.10 1.30 2.01 -1.26 -0.46 115.64 115.07 1n5a s THR 94 Ca -0.06 -0.13 0.01 0.00 0.31 0.00 0.00 61.69 61.82 1n5a s THR 94 Cb -0.02 -0.42 0.02 0.00 0.01 0.00 0.00 72.50 72.08 1n5a s THR 94 CO -0.04 0.16 -0.13 -0.22 -0.69 0.00 0.00 174.62 173.70 1n5a s LEU 95 N 0.46 1.61 0.13 4.42 2.96 -0.23 -0.95 118.68 127.09 1n5a s LEU 95 Ca -0.05 -0.39 0.07 0.00 -0.22 0.00 0.00 54.13 53.54 1n5a s LEU 95 Cb -0.09 -1.00 -0.04 0.00 0.50 0.00 0.00 46.19 45.56 1n5a s LEU 95 CO -0.00 -0.01 -0.17 -1.10 -1.32 0.00 0.00 176.35 173.75 1n5a s GLN 96 N 1.08 1.14 0.02 1.98 -0.21 0.32 -0.41 119.66 123.57 1n5a s GLN 96 Ca -0.05 -1.28 0.01 0.00 0.02 0.00 0.00 55.36 54.06 1n5a s GLN 96 Cb -0.15 -1.18 -0.01 0.00 1.00 0.00 0.00 33.01 32.68 1n5a s GLN 96 CO -0.02 0.24 -0.05 -1.14 -2.12 0.00 0.00 175.29 172.20 1n5a s GLN 97 N -2.52 0.37 -0.08 2.91 0.74 0.60 -1.19 119.66 120.49 1n5a s GLN 97 Ca 0.11 -0.41 0.02 0.00 0.05 0.00 0.00 55.36 55.13 1n5a s GLN 97 Cb -0.07 -0.22 0.01 0.00 1.10 0.00 0.00 33.01 33.84 1n5a s GLN 97 CO 0.05 0.05 -0.14 -1.64 -0.55 0.00 0.00 175.29 173.06 1n5a s MET 98 N -0.79 1.90 0.08 1.67 -1.94 -0.48 -0.68 119.30 119.05 1n5a s MET 98 Ca -0.05 -0.47 -0.14 0.00 -1.71 0.00 0.00 55.69 53.32 1n5a s MET 98 Cb -0.06 -1.56 0.02 0.00 2.01 0.00 0.00 34.83 35.25 1n5a s MET 98 CO -0.00 0.02 0.33 -1.54 -0.01 0.00 0.00 175.02 173.82 1n5a s SER 99 N 0.70 -0.13 0.00 3.03 1.04 -0.75 -0.80 113.70 116.80 1n5a s SER 99 Ca -0.13 -0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.01 1n5a s SER 99 Cb -0.16 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.36 1n5a s SER 99 CO 0.03 -0.71 0.00 0.61 0.98 0.00 0.00 173.24 174.15 1n5a n GLY 100 N 0.21 -0.49 3.08 7.32 0.00 -0.03 -0.18 105.19 115.10 1n5a n GLY 100 Ca -0.17 -1.42 -0.09 0.00 0.00 0.00 0.00 46.02 44.34 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 -2.45 4.13 0.05 0.00 1.01 0.08 -1.88 116.67 117.61 1n5a s ASP 102 Ca 0.01 -0.24 0.09 0.00 0.71 0.00 0.00 52.55 53.12 1n5a s ASP 102 Cb 0.01 -0.85 -0.03 0.00 1.01 0.00 0.00 42.92 43.06 1n5a s ASP 102 CO -0.05 0.31 -0.26 -0.76 0.21 0.00 0.00 175.17 174.61 1n5a s LEU 103 N -1.11 2.17 1.12 1.23 1.43 0.46 0.54 118.68 124.52 1n5a s LEU 103 Ca 0.14 -0.59 -0.19 0.00 -1.03 0.00 0.00 54.13 52.46 1n5a s LEU 103 Cb -0.11 -1.29 0.27 0.00 0.03 0.00 0.00 46.19 45.09 1n5a s LEU 103 CO 0.04 0.26 1.24 -0.83 0.23 0.00 0.00 176.35 177.29 1n5a s GLY 104 N -1.24 1.71 0.42 -3.19 0.00 -0.48 -1.64 107.32 102.89 1n5a s GLY 104 Ca 0.12 -1.22 0.29 0.00 0.00 0.00 0.00 44.72 43.91 1n5a s GLY 104 CO 0.02 -0.33 1.88 1.48 0.00 0.00 0.00 173.10 176.16 1n5a h SER 105 N -2.25 0.00 -0.26 1.64 4.64 -1.91 0.26 113.55 115.67 1n5a h SER 105 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1n5a h SER 105 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1n5a h SER 105 CO 0.30 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.36 1n5a n ASP 106 N -2.62 2.07 0.00 4.97 5.75 -1.26 -4.78 116.55 120.68 1n5a n ASP 106 Ca 0.00 -2.15 0.00 0.00 -0.01 0.00 0.00 54.79 52.63 1n5a n ASP 106 Cb 0.19 -0.35 0.00 0.00 -1.03 0.00 0.00 41.12 39.93 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 0.30 0.00 -3.17 2.11 7.02 0.91 -4.96 117.44 119.64 1n5a n TRP 107 Ca 0.10 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.24 1n5a n TRP 107 Cb 0.40 -1.29 -0.06 0.00 -2.42 0.00 0.00 31.31 27.93 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 -1.23 4.08 -0.02 -0.99 6.06 -1.26 -4.80 118.95 120.79 1n5a s ARG 108 Ca 0.00 0.69 -0.30 0.00 -2.50 0.00 0.00 55.73 53.63 1n5a s ARG 108 Cb 0.00 -2.68 -0.07 0.00 0.06 0.00 0.00 34.95 32.26 1n5a s ARG 108 CO 0.00 0.30 1.82 -1.17 -2.50 0.00 0.00 175.30 173.75 1n5a s LEU 109 N -2.46 4.33 -0.15 -0.88 2.96 -1.26 -1.39 118.68 119.83 1n5a s LEU 109 Ca 0.47 2.41 0.02 0.00 -0.22 0.00 0.00 54.13 56.82 1n5a s LEU 109 Cb -0.13 -3.53 -0.23 0.00 0.50 0.00 0.00 46.19 42.79 1n5a s LEU 109 CO 0.19 -1.04 0.24 -0.11 -1.32 0.00 0.00 176.35 174.32 1n5a n LEU 110 N 7.54 2.05 -3.60 -0.68 7.94 0.19 -4.85 117.00 125.59 1n5a n LEU 110 Ca 0.19 0.14 -0.09 0.00 -1.11 0.00 0.00 56.01 55.14 1n5a n LEU 110 Cb 0.42 -0.61 -0.05 0.00 0.53 0.00 0.00 43.42 43.70 1n5a n LEU 110 CO 0.65 0.74 0.82 -0.60 -1.11 0.00 0.00 177.39 177.89 1n5a s ARG 111 N -2.55 0.51 0.12 1.96 3.52 -1.17 -4.99 118.95 116.35 1n5a s ARG 111 Ca -0.20 0.21 0.04 0.00 -0.13 0.00 0.00 55.73 55.65 1n5a s ARG 111 Cb 0.07 0.24 -0.04 0.00 -1.56 0.00 0.00 34.95 33.66 1n5a s ARG 111 CO 0.75 -0.14 0.08 0.20 -0.81 0.00 0.00 175.30 175.38 1n5a s GLY 112 N -0.81 1.86 -0.03 8.12 0.00 -1.26 -0.74 107.32 114.46 1n5a s GLY 112 Ca 0.01 -1.14 0.04 0.00 0.00 0.00 0.00 44.72 43.62 1n5a s GLY 112 CO -0.01 -1.13 -0.14 -0.19 0.00 0.00 0.00 173.10 171.62 1n5a s TYR 113 N -1.55 1.40 -0.17 1.90 1.51 0.15 -4.85 117.35 115.74 1n5a s TYR 113 Ca 0.29 -0.37 -0.06 0.00 -1.01 0.00 0.00 57.07 55.93 1n5a s TYR 113 Cb -0.11 -0.95 0.08 0.00 -0.11 0.00 0.00 41.96 40.87 1n5a s TYR 113 CO 0.22 -0.12 0.36 -1.17 -1.11 0.00 0.00 175.55 173.72 1n5a s LEU 114 N 0.02 -0.50 -0.07 -1.29 0.20 -1.24 -0.85 118.68 114.95 1n5a s LEU 114 Ca -0.02 0.83 -0.11 0.00 0.69 0.00 0.00 54.13 55.52 1n5a s LEU 114 Cb -0.10 1.09 0.02 0.00 -0.43 0.00 0.00 46.19 46.78 1n5a s LEU 114 CO 0.01 -0.23 0.28 0.00 -0.29 0.00 0.00 176.35 176.11 1n5a s GLN 115 N 2.53 0.45 0.10 1.98 -2.07 0.02 -1.70 119.66 120.96 1n5a s GLN 115 Ca -0.01 0.14 0.10 0.00 -1.82 0.00 0.00 55.36 53.77 1n5a s GLN 115 Cb -0.12 0.21 -0.04 0.00 -1.09 0.00 0.00 33.01 31.97 1n5a s GLN 115 CO -0.11 -0.09 -0.23 -0.06 -1.32 0.00 0.00 175.29 173.48 1n5a s PHE 116 N -0.45 2.41 0.03 9.60 0.08 0.75 -1.39 117.98 129.01 1n5a s PHE 116 Ca -0.06 -0.33 0.03 0.00 0.12 0.00 0.00 56.93 56.69 1n5a s PHE 116 Cb -0.04 -1.33 -0.02 0.00 -0.57 0.00 0.00 43.02 41.06 1n5a s PHE 116 CO 0.02 0.30 -0.09 0.00 -0.10 0.00 0.00 175.22 175.34 1n5a s ALA 117 N -1.02 0.76 -0.08 5.36 0.00 -0.33 -0.45 121.76 126.00 1n5a s ALA 117 Ca 0.15 -0.66 0.01 0.00 0.00 0.00 0.00 51.96 51.46 1n5a s ALA 117 Cb -0.10 -0.07 0.02 0.00 0.00 0.00 0.00 23.12 22.96 1n5a s ALA 117 CO 0.06 0.10 -0.10 -0.47 0.00 0.00 0.00 175.76 175.35 1n5a s TYR 118 N -0.89 1.41 -1.48 0.00 5.04 0.13 -0.53 117.35 121.04 1n5a s TYR 118 Ca -0.03 -0.58 -0.05 0.00 -2.44 0.00 0.00 57.07 53.96 1n5a s TYR 118 Cb -0.07 -1.09 0.01 0.00 0.35 0.00 0.00 41.96 41.15 1n5a s TYR 118 CO 0.01 -0.35 0.72 0.39 -1.34 0.00 0.00 175.55 174.98 1n5a n GLU 119 N 4.23 -5.48 -0.86 4.97 -0.58 -0.13 -1.22 120.64 121.57 1n5a n GLU 119 Ca -0.19 0.87 0.00 0.00 -0.42 0.00 0.00 57.16 57.42 1n5a n GLU 119 Cb 0.51 -5.72 0.00 0.00 -0.57 0.00 0.00 31.44 25.66 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 -1.62 0.67 3.63 0.62 0.00 -1.26 -4.99 105.19 102.24 1n5a n GLY 120 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.32 2.33 0.19 1.61 3.00 -0.36 -5.04 118.95 120.35 1n5a s ARG 121 Ca 0.00 -0.95 -0.32 0.00 0.00 0.00 0.00 55.73 54.47 1n5a s ARG 121 Cb 0.00 -2.41 -0.11 0.00 0.00 0.00 0.00 34.95 32.42 1n5a s ARG 121 CO 0.00 0.52 1.66 -0.51 0.00 0.00 0.00 175.30 176.97 1n5a s ASP 122 N -2.29 6.46 -0.07 0.23 1.01 -1.26 0.22 116.67 120.97 1n5a s ASP 122 Ca 0.24 2.77 -0.07 0.00 0.71 0.00 0.00 52.55 56.20 1n5a s ASP 122 Cb -0.11 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.18 1n5a s ASP 122 CO 0.16 -0.92 -0.15 0.00 0.21 0.00 0.00 175.17 174.48 1n5a n TYR 123 N 4.02 0.00 -3.60 4.23 9.36 0.41 -4.75 117.16 126.82 1n5a n TYR 123 Ca 0.15 0.00 -0.16 0.00 3.32 0.00 0.00 57.90 61.21 1n5a n TYR 123 Cb 0.36 -0.32 -0.07 0.00 -0.63 0.00 0.00 39.34 38.69 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 0.02 0.03 2.97 2.07 -1.13 -4.20 121.20 118.67 1n5a s ILE 124 Ca -0.14 -0.15 -0.08 0.00 -1.41 0.00 0.00 60.65 58.87 1n5a s ILE 124 Cb 0.04 -0.87 -0.00 0.00 0.13 0.00 0.00 42.46 41.76 1n5a s ILE 124 CO 0.19 -0.08 0.16 0.00 -1.91 0.00 0.00 174.94 173.30 1n5a s ALA 125 N -1.13 -0.28 -0.25 1.50 0.00 -0.17 -0.18 121.76 121.24 1n5a s ALA 125 Ca -0.11 -0.32 -0.16 0.00 0.00 0.00 0.00 51.96 51.37 1n5a s ALA 125 Cb -0.02 0.24 -0.03 0.00 0.00 0.00 0.00 23.12 23.30 1n5a s ALA 125 CO 0.08 -0.32 0.42 -1.17 0.00 0.00 0.00 175.76 174.76 1n5a s LEU 126 N -1.96 4.07 1.14 0.00 2.96 -0.69 -0.50 118.68 123.71 1n5a s LEU 126 Ca -0.07 0.41 -0.12 0.00 -0.22 0.00 0.00 54.13 54.13 1n5a s LEU 126 Cb -0.02 -2.51 0.27 0.00 0.50 0.00 0.00 46.19 44.43 1n5a s LEU 126 CO -0.03 -0.18 1.03 0.59 -1.32 0.00 0.00 176.35 176.44 1n5a n ASN 127 N 5.15 -1.44 0.00 3.68 3.02 0.53 -4.57 115.26 121.64 1n5a n ASN 127 Ca -0.07 -0.08 0.07 0.00 -0.03 0.00 0.00 54.58 54.47 1n5a n ASN 127 Cb 0.51 -1.29 0.34 0.00 -0.61 0.00 0.00 39.78 38.72 1n5a n ASN 127 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 1n5a n GLU 128 N -4.87 0.08 0.00 3.52 0.28 -1.26 -1.20 120.64 117.19 1n5a n GLU 128 Ca 0.04 0.21 0.14 0.00 -0.16 0.00 0.00 57.16 57.39 1n5a n GLU 128 Cb 0.54 -1.50 0.76 0.00 1.43 0.00 0.00 31.44 32.66 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 -1.42 0.00 -0.99 -1.84 5.75 -1.26 -4.76 116.55 112.04 1n5a n ASP 129 Ca 0.05 -0.29 -0.10 0.00 -0.01 0.00 0.00 54.79 54.44 1n5a n ASP 129 Cb 0.15 -0.23 -0.04 0.00 -1.03 0.00 0.00 41.12 39.97 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 -1.23 -0.53 0.00 -2.12 4.77 -0.34 -4.67 117.00 112.88 1n5a n LEU 130 Ca 0.15 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 1n5a n LEU 130 Cb 0.20 -2.12 0.00 0.00 -2.33 0.00 0.00 43.42 39.18 1n5a n LEU 130 CO 0.21 -0.76 -0.41 0.29 -1.33 0.00 0.00 177.39 175.38 1n5a n LYS 131 N -1.15 2.73 -4.33 3.23 5.02 -1.26 -4.67 118.16 117.74 1n5a n LYS 131 Ca -0.10 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 55.93 1n5a n LYS 131 Cb 0.45 -0.91 -0.09 0.00 -0.02 0.00 0.00 35.03 34.46 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 -1.78 3.04 0.12 -0.18 -4.23 -1.26 -4.91 115.64 106.44 1n5a s THR 132 Ca 0.00 -1.84 0.08 0.00 -1.18 0.00 0.00 61.69 58.75 1n5a s THR 132 Cb 0.00 -2.53 -0.04 0.00 1.34 0.00 0.00 72.50 71.27 1n5a s THR 132 CO 0.00 -0.19 -0.11 0.26 -0.54 0.00 0.00 174.62 174.04 1n5a s TRP 133 N -1.90 2.69 -0.09 3.99 0.52 -1.26 -0.35 118.94 122.54 1n5a s TRP 133 Ca 0.26 -0.18 0.02 0.00 0.02 0.00 0.00 56.10 56.21 1n5a s TRP 133 Cb -0.08 -1.40 -0.02 0.00 -1.15 0.00 0.00 33.47 30.83 1n5a s TRP 133 CO 0.15 0.43 -0.13 0.99 0.02 0.00 0.00 176.95 178.41 1n5a s THR 134 N -1.28 3.08 -0.25 2.01 2.01 0.35 -4.90 115.64 116.66 1n5a s THR 134 Ca 0.21 -0.68 -0.02 0.00 0.31 0.00 0.00 61.69 61.51 1n5a s THR 134 Cb -0.11 -2.25 0.14 0.00 0.01 0.00 0.00 72.50 70.29 1n5a s THR 134 CO 0.13 0.56 0.40 0.00 -0.69 0.00 0.00 174.62 175.02 1n5a s ALA 135 N -0.17 -1.23 -0.12 7.40 0.00 -1.26 -1.00 121.76 125.38 1n5a s ALA 135 Ca -0.00 1.01 -0.16 0.00 0.00 0.00 0.00 51.96 52.81 1n5a s ALA 135 Cb -0.13 -1.74 -0.14 0.00 0.00 0.00 0.00 23.12 21.11 1n5a s ALA 135 CO 0.03 -1.28 0.44 0.00 0.00 0.00 0.00 175.76 174.96 1n5a h ALA 136 N 8.16 -0.01 -2.83 0.00 0.00 -1.87 -3.44 119.26 119.26 1n5a h ALA 136 Ca -0.20 -0.27 -0.56 0.00 0.00 0.00 0.00 54.91 53.89 1n5a h ALA 136 Cb 1.16 0.01 0.13 0.00 0.00 0.00 0.00 17.79 19.08 1n5a h ALA 136 CO 0.27 -0.02 0.57 -0.25 0.00 0.00 0.00 179.25 179.82 1n5a n ASP 137 N -4.70 2.81 -0.15 0.00 9.92 -1.26 -4.88 116.55 118.29 1n5a n ASP 137 Ca -0.06 1.10 -0.03 0.00 -0.53 0.00 0.00 54.79 55.27 1n5a n ASP 137 Cb 0.26 -1.54 0.06 0.00 -0.64 0.00 0.00 41.12 39.26 1n5a n ASP 137 CO 0.00 0.00 0.00 0.24 0.13 0.00 0.00 177.20 177.57 1n5a h MET 138 N 2.09 0.26 -0.91 -1.24 2.86 -2.00 -0.38 114.93 115.61 1n5a h MET 138 Ca -0.49 -0.02 0.17 0.00 -2.06 0.00 0.00 59.70 57.30 1n5a h MET 138 Cb 1.29 -0.06 -0.07 0.00 0.06 0.00 0.00 31.60 32.81 1n5a h MET 138 CO 0.60 0.17 0.59 0.00 1.06 0.00 0.00 176.91 179.33 1n5a h ALA 139 N 1.35 1.93 -0.71 6.32 0.00 -1.89 -1.47 119.26 124.79 1n5a h ALA 139 Ca 0.24 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 1n5a h ALA 139 Cb 0.29 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1n5a h ALA 139 CO -0.29 -0.20 0.43 0.00 0.00 0.00 0.00 179.25 179.19 1n5a h ALA 140 N 1.61 1.43 -1.15 0.00 0.00 -1.39 -2.94 119.26 116.82 1n5a h ALA 140 Ca 0.47 -0.08 0.33 0.00 0.00 0.00 0.00 54.91 55.63 1n5a h ALA 140 Cb 0.89 -0.29 -0.06 0.00 0.00 0.00 0.00 17.79 18.33 1n5a h ALA 140 CO -0.22 0.50 0.80 1.96 0.00 0.00 0.00 179.25 182.29 1n5a h GLN 141 N 0.97 0.11 0.57 0.00 1.08 -1.15 0.80 115.11 117.49 1n5a h GLN 141 Ca 0.25 -0.01 -0.03 0.00 -1.45 0.00 0.00 58.65 57.42 1n5a h GLN 141 Cb -0.05 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.36 1n5a h GLN 141 CO -0.05 0.07 -0.28 0.82 -0.95 0.00 0.00 178.83 178.44 1n5a h ILE 142 N 0.11 0.42 -0.47 2.54 2.04 -1.68 -0.11 117.51 120.36 1n5a h ILE 142 Ca 0.58 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.52 1n5a h ILE 142 Cb 2.07 0.42 -0.06 0.00 -0.74 0.00 0.00 36.82 38.51 1n5a h ILE 142 CO -0.10 0.00 0.12 0.74 0.00 0.00 0.00 178.15 178.90 1n5a h THR 143 N -0.78 0.77 -0.35 -0.27 2.02 0.39 -0.40 112.91 114.30 1n5a h THR 143 Ca -0.08 -0.09 0.07 0.00 0.77 0.00 0.00 66.41 67.09 1n5a h THR 143 Cb 0.60 0.49 -0.08 0.00 -1.74 0.00 0.00 68.15 67.41 1n5a h THR 143 CO 0.12 0.05 -0.29 -0.09 0.37 0.00 0.00 175.52 175.68 1n5a h ARG 144 N 0.26 -0.24 0.03 6.66 2.43 -0.76 0.24 114.38 123.00 1n5a h ARG 144 Ca 0.23 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.42 1n5a h ARG 144 Cb 0.28 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 1n5a h ARG 144 CO -0.28 -0.16 -0.02 0.00 -1.51 0.00 0.00 179.97 178.00 1n5a h ARG 145 N -0.25 -0.04 -0.39 0.20 3.08 -0.18 0.30 114.38 117.10 1n5a h ARG 145 Ca 0.16 0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.29 1n5a h ARG 145 Cb 0.51 0.01 -0.09 0.00 0.08 0.00 0.00 29.97 30.48 1n5a h ARG 145 CO -0.49 -0.02 -0.33 -0.22 -1.07 0.00 0.00 179.97 177.84 1n5a h LYS 146 N -0.06 -0.25 -0.41 0.04 3.64 0.53 0.12 116.57 120.19 1n5a h LYS 146 Ca -0.00 0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.33 1n5a h LYS 146 Cb 0.05 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 1n5a h LYS 146 CO 0.01 -0.17 -0.01 -1.49 -2.27 0.00 0.00 179.45 175.52 1n5a h TRP 147 N -0.26 0.69 -0.41 1.91 4.06 -0.07 -1.57 115.95 120.31 1n5a h TRP 147 Ca 0.17 -0.09 -0.09 0.00 2.06 0.00 0.00 58.89 60.94 1n5a h TRP 147 Cb 0.54 -0.19 -0.01 0.00 -1.00 0.00 0.00 29.16 28.50 1n5a h TRP 147 CO -0.54 0.67 -0.09 0.93 -3.56 0.00 0.00 178.44 175.85 1n5a h GLU 148 N 0.62 0.77 0.00 0.49 5.08 0.09 -2.62 114.58 119.01 1n5a h GLU 148 Ca 0.13 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 1n5a h GLU 148 Cb 0.41 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1n5a h GLU 148 CO 0.02 0.90 0.00 0.37 -1.00 0.00 0.00 179.01 179.30 1n5a h GLN 149 N 0.59 0.00 -0.07 2.33 5.75 -0.05 -3.10 115.11 120.57 1n5a h GLN 149 Ca 0.10 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.60 1n5a h GLN 149 Cb 0.61 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.16 1n5a h GLN 149 CO 0.04 0.00 0.00 -1.13 -2.65 0.00 0.00 178.83 175.09 1n5a n SER 150 N -2.56 2.33 -0.06 -0.69 3.41 -0.66 -4.97 113.62 110.42 1n5a n SER 150 Ca 0.01 -1.65 -0.01 0.00 -0.26 0.00 0.00 58.87 56.96 1n5a n SER 150 Cb 0.25 -0.03 -0.00 0.00 -0.26 0.00 0.00 64.21 64.16 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 0.83 0.44 0.31 5.00 0.00 -1.06 -4.91 105.19 105.80 1n5a n GLY 151 Ca 0.09 -0.13 0.11 0.00 0.00 0.00 0.00 46.02 46.10 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 1.04 -0.85 4.61 0.00 -1.79 -1.29 119.26 120.98 1n5a h ALA 152 Ca -0.02 0.29 0.07 0.00 0.00 0.00 0.00 54.91 55.25 1n5a h ALA 152 Cb 0.28 0.49 -0.06 0.00 0.00 0.00 0.00 17.79 18.50 1n5a h ALA 152 CO 0.03 -0.50 0.55 0.00 0.00 0.00 0.00 179.25 179.33 1n5a h ALA 153 N 1.85 1.60 -0.71 0.00 0.00 -1.91 0.82 119.26 120.92 1n5a h ALA 153 Ca 0.52 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.38 1n5a h ALA 153 Cb 1.02 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1n5a h ALA 153 CO -0.79 0.25 0.30 0.93 0.00 0.00 0.00 179.25 179.95 1n5a h GLU 154 N 0.91 1.03 0.14 0.00 3.07 -1.50 0.13 114.58 118.35 1n5a h GLU 154 Ca 0.38 -0.16 -0.01 0.00 -0.50 0.00 0.00 59.36 59.07 1n5a h GLU 154 Cb 0.28 -0.18 0.00 0.00 -0.84 0.00 0.00 28.75 28.01 1n5a h GLU 154 CO -0.14 0.82 -0.07 1.25 -1.40 0.00 0.00 179.01 179.47 1n5a h HIS 155 N 1.01 -0.17 -0.29 4.33 2.76 -0.77 -1.03 115.15 120.99 1n5a h HIS 155 Ca 0.24 -0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.32 1n5a h HIS 155 Cb 0.16 0.06 -0.02 0.00 1.55 0.00 0.00 27.41 29.16 1n5a h HIS 155 CO 0.01 0.08 -0.19 1.88 -1.30 0.00 0.00 177.93 178.41 1n5a h TYR 156 N -0.40 0.57 -0.81 5.26 0.05 -1.15 -2.49 116.97 117.99 1n5a h TYR 156 Ca -0.02 -0.11 0.01 0.00 0.05 0.00 0.00 58.73 58.67 1n5a h TYR 156 Cb 0.32 -0.15 -0.04 0.00 1.01 0.00 0.00 36.73 37.87 1n5a h TYR 156 CO -0.00 0.68 0.54 -0.22 -1.05 0.00 0.00 178.16 178.11 1n5a h LYS 157 N 0.47 1.06 -0.55 4.88 3.64 -0.42 0.37 116.57 126.02 1n5a h LYS 157 Ca 0.08 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.33 1n5a h LYS 157 Cb 0.59 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 32.15 1n5a h LYS 157 CO 0.04 0.70 0.10 0.00 -2.27 0.00 0.00 179.45 178.02 1n5a h ALA 158 N 1.50 0.73 -0.06 5.00 0.00 -0.76 -0.71 119.26 124.96 1n5a h ALA 158 Ca 0.30 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1n5a h ALA 158 Cb -0.11 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 1n5a h ALA 158 CO -0.07 0.46 0.01 -0.92 0.00 0.00 0.00 179.25 178.74 1n5a h TYR 159 N 0.80 0.10 -0.90 0.00 3.20 -0.88 -0.89 116.97 118.39 1n5a h TYR 159 Ca 0.17 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.07 1n5a h TYR 159 Cb 0.40 -0.03 -0.06 0.00 1.54 0.00 0.00 36.73 38.58 1n5a h TYR 159 CO 0.03 0.29 0.58 -0.07 -1.64 0.00 0.00 178.16 177.35 1n5a h LEU 160 N -0.13 0.94 0.00 2.82 3.38 -0.02 -2.23 115.31 120.07 1n5a h LEU 160 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1n5a h LEU 160 Cb 0.25 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1n5a h LEU 160 CO 0.00 0.62 -0.86 -0.62 0.09 0.00 0.00 178.44 177.67 1n5a n GLU 161 N -4.55 0.43 0.00 1.13 1.02 -0.30 -3.95 120.64 114.42 1n5a n GLU 161 Ca 0.12 0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.35 1n5a n GLU 161 Cb 0.13 -1.73 0.00 0.00 -0.02 0.00 0.00 31.44 29.82 1n5a n GLU 161 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1n5a n GLY 162 N 1.28 0.11 0.37 0.62 0.00 -0.34 -4.57 105.19 102.66 1n5a n GLY 162 Ca 0.02 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.31 -0.14 1.61 1.02 -1.13 0.48 120.64 122.16 1n5a n GLU 163 Ca 0.00 1.42 -0.05 0.00 -0.02 0.00 0.00 57.16 58.51 1n5a n GLU 163 Cb 0.00 -2.10 0.01 0.00 -0.02 0.00 0.00 31.44 29.33 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 -0.17 0.07 -0.43 0.00 2.07 -1.20 -1.89 116.25 114.71 1n5a h VAL 165 Ca 0.21 -0.21 0.12 0.00 0.82 0.00 0.00 66.70 67.65 1n5a h VAL 165 Cb 0.50 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 1n5a h VAL 165 CO -0.56 0.01 0.35 -0.33 0.02 0.00 0.00 177.57 177.06 1n5a h GLU 166 N -1.23 0.00 0.04 1.57 5.08 0.16 -0.02 114.58 120.18 1n5a h GLU 166 Ca -0.11 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 57.95 1n5a h GLU 166 Cb 0.81 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.02 1n5a h GLU 166 CO 0.17 0.00 -1.67 -1.49 -1.00 0.00 0.00 179.01 175.02 1n5a h TRP 167 N 0.00 0.15 -0.80 4.33 4.06 0.14 -3.17 115.95 120.66 1n5a h TRP 167 Ca 0.20 -0.11 0.03 0.00 2.06 0.00 0.00 58.89 61.08 1n5a h TRP 167 Cb 0.91 -0.01 -0.04 0.00 -1.00 0.00 0.00 29.16 29.02 1n5a h TRP 167 CO 0.00 1.19 0.52 1.25 -3.56 0.00 0.00 178.44 177.85 1n5a h LEU 168 N 0.02 0.85 0.28 -4.49 5.85 -0.19 0.39 115.31 118.02 1n5a h LEU 168 Ca -0.28 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.43 1n5a h LEU 168 Cb 2.00 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.81 1n5a h LEU 168 CO 0.10 0.59 -0.24 0.45 -0.34 0.00 0.00 178.44 178.99 1n5a h HIS 169 N 0.99 -0.63 -0.43 1.25 3.86 -1.29 0.85 115.15 119.74 1n5a h HIS 169 Ca 0.32 0.00 0.06 0.00 -1.16 0.00 0.00 60.37 59.58 1n5a h HIS 169 Cb 0.03 0.24 -0.05 0.00 1.06 0.00 0.00 27.41 28.69 1n5a h HIS 169 CO -0.00 -0.36 0.14 -0.09 0.86 0.00 0.00 177.93 178.48 1n5a h ARG 170 N -0.54 0.29 0.25 2.45 2.43 -0.94 -0.64 114.38 117.67 1n5a h ARG 170 Ca -0.02 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.14 1n5a h ARG 170 Cb 0.48 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.93 1n5a h ARG 170 CO -0.03 0.19 -0.42 1.88 -1.51 0.00 0.00 179.97 180.08 1n5a h TYR 171 N 0.30 -1.16 -0.39 2.20 0.05 -0.01 -0.79 116.97 117.16 1n5a h TYR 171 Ca 0.21 0.02 0.11 0.00 0.05 0.00 0.00 58.73 59.12 1n5a h TYR 171 Cb 0.21 0.48 -0.02 0.00 1.01 0.00 0.00 36.73 38.42 1n5a h TYR 171 CO -0.17 -0.54 0.31 -0.07 -1.05 0.00 0.00 178.16 176.64 1n5a h LEU 172 N -0.74 0.00 -0.01 3.88 3.38 0.48 0.57 115.31 122.86 1n5a h LEU 172 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1n5a h LEU 172 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1n5a h LEU 172 CO -0.16 0.00 -0.04 0.11 0.09 0.00 0.00 178.44 178.43 1n5a h LYS 173 N 0.00 0.05 0.00 1.13 1.57 -0.14 -3.12 116.57 116.07 1n5a h LYS 173 Ca 0.19 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1n5a h LYS 173 Cb 0.80 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.12 1n5a h LYS 173 CO -0.00 0.66 0.00 -0.91 -0.57 0.00 0.00 179.45 178.63 1n5a h ASN 174 N -0.54 0.00 -0.65 0.86 2.35 0.14 -2.76 115.58 114.98 1n5a h ASN 174 Ca -0.00 0.00 -0.41 0.00 -0.55 0.00 0.00 56.30 55.34 1n5a h ASN 174 Cb 0.66 0.00 -0.25 0.00 0.05 0.00 0.00 38.32 38.79 1n5a h ASN 174 CO 0.01 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.40 1n5a n GLY 175 N -0.67 5.46 0.03 2.83 0.00 0.26 -4.90 105.19 108.21 1n5a n GLY 175 Ca -0.00 -1.81 -0.01 0.00 0.00 0.00 0.00 46.02 44.20 1n5a n GLY 175 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1n5a n ASN 176 N -0.98 -0.09 -0.37 1.61 0.23 -1.04 -1.50 115.26 113.12 1n5a n ASN 176 Ca 0.45 0.91 0.08 0.00 -0.53 0.00 0.00 54.58 55.48 1n5a n ASN 176 Cb 1.00 -0.40 -0.00 0.00 -2.08 0.00 0.00 39.78 38.30 1n5a n ASN 176 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1n5a n ALA 177 N -2.89 3.21 0.06 -2.53 0.00 -1.26 -3.48 120.51 113.61 1n5a n ALA 177 Ca 0.00 -0.55 0.09 0.00 0.00 0.00 0.00 53.44 52.99 1n5a n ALA 177 Cb 0.02 -0.58 -0.06 0.00 0.00 0.00 0.00 19.45 18.83 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 -0.12 0.58 -1.33 0.00 -1.04 -1.23 -4.22 114.28 106.92 1n5a n THR 178 Ca 0.07 -0.57 0.05 0.00 -2.04 0.00 0.00 64.05 61.56 1n5a n THR 178 Cb 0.35 -0.32 0.20 0.00 -1.82 0.00 0.00 70.33 68.73 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 -2.61 3.18 0.13 -4.42 4.77 -0.56 -4.86 117.00 112.63 1n5a n LEU 179 Ca -0.04 -3.52 -0.24 0.00 -0.03 0.00 0.00 56.01 52.18 1n5a n LEU 179 Cb 0.62 -0.53 -0.16 0.00 -2.33 0.00 0.00 43.42 41.02 1n5a n LEU 179 CO 0.42 1.07 -0.21 0.25 -1.33 0.00 0.00 177.39 177.59 1n5a h LEU 180 N 0.85 0.80 -7.97 2.23 5.85 -1.73 -3.49 115.31 111.86 1n5a h LEU 180 Ca 0.06 -0.93 0.04 0.00 0.84 0.00 0.00 57.88 57.90 1n5a h LEU 180 Cb 1.25 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 42.00 1n5a h LEU 180 CO 0.14 1.68 0.34 0.00 -0.34 0.00 0.00 178.44 180.26 1n5a s ARG 181 N -2.58 1.92 0.53 1.25 1.70 -1.26 -4.97 118.95 115.54 1n5a s ARG 181 Ca -0.10 -1.20 -0.22 0.00 -0.47 0.00 0.00 55.73 53.74 1n5a s ARG 181 Cb 0.04 0.56 -0.06 0.00 -0.57 0.00 0.00 34.95 34.91 1n5a s ARG 181 CO 0.93 -0.90 1.25 2.41 -1.08 0.00 0.00 175.30 177.92 1n5a n THR 182 N -0.55 3.51 -3.71 4.99 -1.04 -1.26 -4.93 114.28 111.30 1n5a n THR 182 Ca -0.06 -0.50 -0.39 0.00 -2.04 0.00 0.00 64.05 61.06 1n5a n THR 182 Cb 0.60 -1.53 -0.12 0.00 -1.82 0.00 0.00 70.33 67.46 1n5a n THR 182 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1n5a s ASP 183 N -0.90 5.44 0.40 8.00 1.11 -0.17 -4.91 116.67 125.64 1n5a s ASP 183 Ca 0.70 -1.15 -0.26 0.00 0.18 0.00 0.00 52.55 52.02 1n5a s ASP 183 Cb -0.44 -1.91 -0.09 0.00 1.07 0.00 0.00 42.92 41.55 1n5a s ASP 183 CO 0.51 -0.36 1.26 -0.44 1.18 0.00 0.00 175.17 177.32 1n5a s SER 184 N 1.50 6.42 0.24 0.27 0.01 -1.26 -1.03 113.70 119.85 1n5a s SER 184 Ca -0.00 2.57 -0.31 0.00 1.31 0.00 0.00 55.95 59.51 1n5a s SER 184 Cb -0.20 -2.63 -0.13 0.00 0.21 0.00 0.00 66.02 63.27 1n5a s SER 184 CO 0.04 -0.77 1.47 -2.65 0.41 0.00 0.00 173.24 171.74 1n5a n PRO 185 N 0.18 2.22 -3.84 12.44 -0.02 -1.26 -4.52 135.00 140.20 1n5a n PRO 185 Ca 0.03 0.79 -0.36 0.00 -2.02 0.00 0.00 63.50 61.95 1n5a n PRO 185 Cb 0.44 -2.49 -0.11 0.00 -0.02 0.00 0.00 33.50 31.32 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 -0.29 3.84 0.04 -0.52 1.02 -0.81 -4.91 119.74 118.12 1n5a s LYS 186 Ca 0.68 -0.40 0.09 0.00 0.02 0.00 0.00 55.97 56.37 1n5a s LYS 186 Cb -0.61 -3.33 -0.03 0.00 -0.52 0.00 0.00 37.83 33.34 1n5a s LYS 186 CO 0.48 0.01 -0.26 0.00 -0.92 0.00 0.00 175.35 174.66 1n5a s ALA 187 N 1.12 2.29 0.19 5.17 0.00 -1.26 -1.57 121.76 127.70 1n5a s ALA 187 Ca 0.05 -1.26 -0.09 0.00 0.00 0.00 0.00 51.96 50.66 1n5a s ALA 187 Cb -0.14 -0.50 -0.01 0.00 0.00 0.00 0.00 23.12 22.46 1n5a s ALA 187 CO 0.04 0.54 0.31 -3.38 0.00 0.00 0.00 175.76 173.26 1n5a s HIS 188 N -0.81 0.48 0.03 0.00 -3.43 -0.91 -4.98 115.29 105.67 1n5a s HIS 188 Ca 0.12 -0.83 0.07 0.00 -0.80 0.00 0.00 55.06 53.63 1n5a s HIS 188 Cb -0.10 -0.06 -0.02 0.00 -1.43 0.00 0.00 32.58 30.96 1n5a s HIS 188 CO 0.02 -0.77 -0.22 0.08 -2.00 0.00 0.00 174.74 171.85 1n5a s VAL 189 N -4.00 1.76 0.20 -5.38 1.01 -1.26 -0.12 120.40 112.61 1n5a s VAL 189 Ca 0.21 -1.17 0.11 0.00 0.00 0.00 0.00 61.98 61.13 1n5a s VAL 189 Cb 0.03 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 1n5a s VAL 189 CO 0.03 0.30 -0.18 0.42 0.00 0.00 0.00 175.10 175.67 1n5a s THR 190 N -0.73 2.68 -0.16 3.92 -4.23 0.06 -4.95 115.64 112.21 1n5a s THR 190 Ca 0.08 -1.96 -0.01 0.00 -1.18 0.00 0.00 61.69 58.62 1n5a s THR 190 Cb -0.09 -2.32 -0.01 0.00 1.34 0.00 0.00 72.50 71.42 1n5a s THR 190 CO 0.01 -0.16 -0.10 -2.28 -0.54 0.00 0.00 174.62 171.55 1n5a s HIS 191 N -1.81 2.87 -0.04 3.99 2.46 -1.26 -1.67 115.29 119.83 1n5a s HIS 191 Ca 0.24 -0.80 0.03 0.00 0.47 0.00 0.00 55.06 55.00 1n5a s HIS 191 Cb -0.08 -1.94 0.00 0.00 -0.13 0.00 0.00 32.58 30.43 1n5a s HIS 191 CO 0.13 -0.36 -0.14 -1.01 -2.47 0.00 0.00 174.74 170.89 1n5a s HIS 192 N 0.79 1.39 0.27 3.88 3.76 0.10 -4.97 115.29 120.52 1n5a s HIS 192 Ca -0.04 -0.39 -0.30 0.00 -0.15 0.00 0.00 55.06 54.17 1n5a s HIS 192 Cb -0.15 -0.96 -0.12 0.00 1.11 0.00 0.00 32.58 32.46 1n5a s HIS 192 CO 0.01 -0.15 1.55 -2.30 -0.85 0.00 0.00 174.74 173.00 1n5a n PRO 193 N 3.26 2.52 0.00 8.40 -0.01 -1.26 0.12 135.00 148.03 1n5a n PRO 193 Ca -0.19 0.90 0.00 0.00 -0.01 0.00 0.00 63.50 64.20 1n5a n PRO 193 Cb 0.53 -2.65 0.00 0.00 -0.01 0.00 0.00 33.50 31.37 1n5a n PRO 193 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 175.50 176.03 1n5a n ARG 194 N 2.21 3.36 -0.89 -0.52 1.74 0.23 -4.65 116.66 118.14 1n5a n ARG 194 Ca 0.10 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.82 1n5a n ARG 194 Cb 0.35 0.00 0.08 0.00 -1.02 0.00 0.00 32.46 31.87 1n5a n ARG 194 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1n5a n SER 195 N 0.00 -3.55 -4.64 0.55 7.64 -1.17 -4.68 113.62 107.77 1n5a n SER 195 Ca 0.00 0.08 -0.55 0.00 1.01 0.00 0.00 58.87 59.41 1n5a n SER 195 Cb 0.00 -0.80 -0.07 0.00 -1.01 0.00 0.00 64.21 62.34 1n5a n SER 195 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1n5a n LYS 196 N 0.74 1.13 -2.19 1.43 4.81 -1.26 -0.97 118.16 121.85 1n5a n LYS 196 Ca 0.00 0.41 -0.21 0.00 -0.87 0.00 0.00 58.31 57.64 1n5a n LYS 196 Cb 0.63 -2.07 -0.03 0.00 0.02 0.00 0.00 35.03 33.59 1n5a n LYS 196 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1n5a n GLY 197 N 3.23 0.14 2.80 3.14 0.00 -1.26 -4.94 105.19 108.30 1n5a n GLY 197 Ca 0.22 -0.01 -0.17 0.00 0.00 0.00 0.00 46.02 46.06 1n5a n GLY 197 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1n5a s GLU 198 N -4.71 0.01 0.26 1.61 2.12 -0.14 -1.90 118.70 115.95 1n5a s GLU 198 Ca 0.00 0.46 0.09 0.00 0.36 0.00 0.00 54.97 55.87 1n5a s GLU 198 Cb 0.00 -0.32 -0.05 0.00 0.26 0.00 0.00 34.13 34.02 1n5a s GLU 198 CO 0.00 -0.28 -0.13 0.14 -0.54 0.00 0.00 175.26 174.45 1n5a s VAL 199 N 1.99 1.96 -0.14 3.70 -7.23 0.94 -0.60 120.40 121.01 1n5a s VAL 199 Ca 0.01 -2.23 -0.05 0.00 -1.81 0.00 0.00 61.98 57.89 1n5a s VAL 199 Cb -0.12 -2.30 -0.04 0.00 0.56 0.00 0.00 36.38 34.48 1n5a s VAL 199 CO -0.05 -0.41 0.03 -0.89 -0.31 0.00 0.00 175.10 173.47 1n5a s THR 200 N -2.82 4.52 -0.23 5.32 2.01 0.32 -0.74 115.64 124.02 1n5a s THR 200 Ca 0.28 -0.14 -0.06 0.00 0.31 0.00 0.00 61.69 62.08 1n5a s THR 200 Cb -0.00 -2.98 -0.02 0.00 0.01 0.00 0.00 72.50 69.51 1n5a s THR 200 CO 0.12 0.52 0.02 -0.76 -0.69 0.00 0.00 174.62 173.83 1n5a s LEU 201 N -0.13 3.22 -0.25 4.42 1.43 -0.62 0.02 118.68 126.77 1n5a s LEU 201 Ca 0.06 -0.26 -0.05 0.00 -1.03 0.00 0.00 54.13 52.85 1n5a s LEU 201 Cb -0.12 -1.84 0.00 0.00 0.03 0.00 0.00 46.19 44.26 1n5a s LEU 201 CO 0.02 -0.00 0.00 -0.60 0.23 0.00 0.00 176.35 176.00 1n5a s ARG 202 N 1.40 3.17 -0.27 1.70 6.06 -0.67 -1.56 118.95 128.78 1n5a s ARG 202 Ca 0.05 -0.78 -0.14 0.00 -2.50 0.00 0.00 55.73 52.36 1n5a s ARG 202 Cb -0.15 -3.15 -0.04 0.00 0.06 0.00 0.00 34.95 31.68 1n5a s ARG 202 CO 0.01 -0.33 0.35 0.00 -2.50 0.00 0.00 175.30 172.83 1n5a s TRP 204 N 1.99 2.90 -0.18 0.00 0.52 0.83 -1.54 118.94 123.45 1n5a s TRP 204 Ca 0.14 -0.02 0.01 0.00 0.02 0.00 0.00 56.10 56.25 1n5a s TRP 204 Cb -0.16 -1.71 0.04 0.00 -1.15 0.00 0.00 33.47 30.49 1n5a s TRP 204 CO 0.10 0.30 -0.11 0.00 0.02 0.00 0.00 176.95 177.25 1n5a s ALA 205 N -0.76 1.90 0.21 0.98 0.00 0.70 -2.15 121.76 122.65 1n5a s ALA 205 Ca 0.12 -1.07 0.11 0.00 0.00 0.00 0.00 51.96 51.12 1n5a s ALA 205 Cb -0.11 -1.19 -0.04 0.00 0.00 0.00 0.00 23.12 21.78 1n5a s ALA 205 CO 0.01 -0.67 -0.22 -0.51 0.00 0.00 0.00 175.76 174.37 1n5a s LEU 206 N 1.45 2.47 -1.35 0.00 1.43 -0.61 -1.81 118.68 120.27 1n5a s LEU 206 Ca 0.01 -0.90 -0.08 0.00 -1.03 0.00 0.00 54.13 52.13 1n5a s LEU 206 Cb -0.15 -1.09 0.00 0.00 0.03 0.00 0.00 46.19 44.98 1n5a s LEU 206 CO -0.09 0.07 0.47 0.61 0.23 0.00 0.00 176.35 177.65 1n5a n GLY 207 N 0.08 -0.43 3.55 -3.19 0.00 -0.91 -1.91 105.19 102.37 1n5a n GLY 207 Ca -0.11 0.23 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.86 2.52 -0.20 1.61 -0.12 -1.19 -4.49 117.98 112.25 1n5a s PHE 208 Ca 0.15 -0.27 -0.17 0.00 -0.05 0.00 0.00 56.93 56.59 1n5a s PHE 208 Cb -0.06 -1.16 0.05 0.00 -0.63 0.00 0.00 43.02 41.22 1n5a s PHE 208 CO 0.90 0.60 0.52 -0.47 -0.05 0.00 0.00 175.22 176.72 1n5a s TYR 209 N -2.09 -0.61 0.92 3.49 5.04 -0.20 -1.21 117.35 122.70 1n5a s TYR 209 Ca 0.28 1.44 -0.12 0.00 -2.44 0.00 0.00 57.07 56.22 1n5a s TYR 209 Cb -0.07 0.23 0.14 0.00 0.35 0.00 0.00 41.96 42.61 1n5a s TYR 209 CO 0.16 -0.30 1.12 -2.14 -1.34 0.00 0.00 175.55 173.05 1n5a s PRO 210 N 0.47 1.04 0.04 4.97 0.02 -1.26 -1.00 135.00 139.28 1n5a s PRO 210 Ca -0.02 0.37 -0.15 0.00 0.02 0.00 0.00 61.00 61.22 1n5a s PRO 210 Cb -0.04 -1.82 -0.06 0.00 0.02 0.00 0.00 34.50 32.59 1n5a s PRO 210 CO -0.02 -2.28 1.24 0.00 -0.33 0.00 0.00 177.00 175.61 1n5a h ALA 211 N -1.56 -0.77 -0.29 -1.55 0.00 -1.97 -3.44 119.26 109.68 1n5a h ALA 211 Ca -0.51 -0.05 -0.23 0.00 0.00 0.00 0.00 54.91 54.12 1n5a h ALA 211 Cb 1.33 0.62 0.02 0.00 0.00 0.00 0.00 17.79 19.75 1n5a h ALA 211 CO 0.61 -0.82 0.01 -0.25 0.00 0.00 0.00 179.25 178.80 1n5a n ASP 212 N -3.73 -0.01 -3.55 0.00 9.92 -1.26 -4.91 116.55 113.00 1n5a n ASP 212 Ca -0.04 0.34 -0.07 0.00 -0.53 0.00 0.00 54.79 54.49 1n5a n ASP 212 Cb 0.18 -0.27 -0.03 0.00 -0.64 0.00 0.00 41.12 40.36 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 -0.01 0.00 -0.07 0.53 2.07 -1.26 -4.72 121.20 117.73 1n5a s ILE 213 Ca 0.26 0.00 -0.05 0.00 -1.41 0.00 0.00 60.65 59.45 1n5a s ILE 213 Cb -0.37 -1.00 0.03 0.00 0.13 0.00 0.00 42.46 41.25 1n5a s ILE 213 CO 0.17 0.00 0.18 -0.89 -1.91 0.00 0.00 174.94 172.48 1n5a s THR 214 N -2.41 -0.02 -0.02 4.00 2.01 -0.80 -4.99 115.64 113.40 1n5a s THR 214 Ca 0.05 0.08 0.05 0.00 0.31 0.00 0.00 61.69 62.18 1n5a s THR 214 Cb -0.01 -0.27 -0.01 0.00 0.01 0.00 0.00 72.50 72.22 1n5a s THR 214 CO -0.05 0.03 -0.19 -0.76 -0.69 0.00 0.00 174.62 172.96 1n5a s LEU 215 N 0.59 2.00 -0.01 4.42 1.02 -1.26 -1.41 118.68 124.03 1n5a s LEU 215 Ca -0.04 -0.35 -0.03 0.00 0.02 0.00 0.00 54.13 53.73 1n5a s LEU 215 Cb -0.06 -0.99 0.00 0.00 0.02 0.00 0.00 46.19 45.16 1n5a s LEU 215 CO -0.03 0.21 0.07 0.42 0.02 0.00 0.00 176.35 177.04 1n5a s THR 216 N -0.30 0.04 -0.14 5.49 -4.23 -0.66 -4.96 115.64 110.88 1n5a s THR 216 Ca 0.04 -0.34 -0.03 0.00 -1.18 0.00 0.00 61.69 60.18 1n5a s THR 216 Cb -0.09 -0.22 -0.03 0.00 1.34 0.00 0.00 72.50 73.51 1n5a s THR 216 CO 0.00 -0.19 -0.06 0.26 -0.54 0.00 0.00 174.62 174.10 1n5a s TRP 217 N -0.58 2.98 -0.07 3.99 0.52 -1.26 -0.09 118.94 124.44 1n5a s TRP 217 Ca -0.07 -0.33 0.05 0.00 0.02 0.00 0.00 56.10 55.78 1n5a s TRP 217 Cb -0.04 -1.92 -0.01 0.00 -1.15 0.00 0.00 33.47 30.35 1n5a s TRP 217 CO 0.00 -0.03 -0.23 -0.65 0.02 0.00 0.00 176.95 176.05 1n5a s GLN 218 N 0.26 2.71 -0.64 4.98 -0.21 0.88 -0.67 119.66 126.97 1n5a s GLN 218 Ca -0.04 -0.88 -0.16 0.00 0.02 0.00 0.00 55.36 54.30 1n5a s GLN 218 Cb -0.14 -2.23 0.15 0.00 1.00 0.00 0.00 33.01 31.78 1n5a s GLN 218 CO 0.03 0.34 0.64 -1.17 -2.12 0.00 0.00 175.29 173.02 1n5a s LEU 219 N -0.06 6.08 -1.60 2.90 2.96 -0.50 -1.74 118.68 126.73 1n5a s LEU 219 Ca -0.06 -1.93 -0.11 0.00 -0.22 0.00 0.00 54.13 51.80 1n5a s LEU 219 Cb -0.15 -2.24 0.10 0.00 0.50 0.00 0.00 46.19 44.40 1n5a s LEU 219 CO 0.05 -0.86 0.63 -0.46 -1.32 0.00 0.00 176.35 174.38 1n5a n ASN 220 N 5.26 -2.14 0.00 3.68 0.23 -0.95 -3.76 115.26 117.58 1n5a n ASN 220 Ca -0.05 -1.02 0.00 0.00 -0.53 0.00 0.00 54.58 52.98 1n5a n ASN 220 Cb 0.43 -2.81 0.00 0.00 -2.08 0.00 0.00 39.78 35.31 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 4.28 3.61 4.83 0.00 -1.26 -5.11 105.19 109.88 1n5a n GLY 221 Ca -0.07 -0.72 -0.27 0.00 0.00 0.00 0.00 46.02 44.96 1n5a n GLY 221 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1n5a s GLU 222 N 0.00 2.22 0.56 1.61 2.02 -1.25 -5.08 118.70 118.78 1n5a s GLU 222 Ca 0.00 -1.19 -0.18 0.00 0.02 0.00 0.00 54.97 53.62 1n5a s GLU 222 Cb 0.00 -2.25 -0.05 0.00 0.10 0.00 0.00 34.13 31.92 1n5a s GLU 222 CO 0.00 0.45 1.08 -1.21 0.02 0.00 0.00 175.26 175.59 1n5a s GLU 223 N -2.87 3.40 -0.61 1.61 2.02 -1.26 -1.42 118.70 119.57 1n5a s GLU 223 Ca 0.26 1.39 0.04 0.00 0.02 0.00 0.00 54.97 56.69 1n5a s GLU 223 Cb -0.09 -2.03 0.16 0.00 0.10 0.00 0.00 34.13 32.27 1n5a s GLU 223 CO 0.17 -0.77 0.41 -1.17 0.02 0.00 0.00 175.26 173.92 1n5a s LEU 224 N -4.04 4.17 0.00 1.80 2.96 0.16 -4.90 118.68 118.83 1n5a s LEU 224 Ca 0.68 -3.49 0.02 0.00 -0.22 0.00 0.00 54.13 51.12 1n5a s LEU 224 Cb -0.19 -1.46 0.12 0.00 0.50 0.00 0.00 46.19 45.16 1n5a s LEU 224 CO 0.30 -0.14 1.05 0.41 -1.32 0.00 0.00 176.35 176.64 1n5a n THR 225 N 2.44 0.00 -1.46 3.68 -1.04 -1.26 -4.45 114.28 112.19 1n5a n THR 225 Ca 0.17 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 62.06 1n5a n THR 225 Cb 0.36 -0.04 -0.09 0.00 -1.82 0.00 0.00 70.33 68.73 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 -0.53 0.12 -4.43 -2.82 0.00 -1.26 -3.72 117.38 104.73 1n5a n GLN 226 Ca 0.01 -1.24 -0.37 0.00 -0.00 0.00 0.00 57.00 55.40 1n5a n GLN 226 Cb 0.01 -3.27 -0.09 0.00 0.00 0.00 0.00 30.24 26.89 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 16.52 -0.54 -4.71 1.69 2.03 -1.26 -4.85 116.55 125.43 1n5a n ASP 227 Ca 0.34 -1.26 -0.42 0.00 0.52 0.00 0.00 54.79 53.98 1n5a n ASP 227 Cb 0.46 -1.59 -0.03 0.00 -0.72 0.00 0.00 41.12 39.25 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 -7.29 4.28 -0.21 -0.67 -2.45 -1.24 -4.86 119.30 106.86 1n5a s MET 228 Ca 0.45 2.15 -0.11 0.00 -1.25 0.00 0.00 55.69 56.94 1n5a s MET 228 Cb -0.26 -3.31 -0.05 0.00 1.25 0.00 0.00 34.83 32.46 1n5a s MET 228 CO 1.01 -0.53 0.17 -2.00 1.05 0.00 0.00 175.02 174.72 1n5a s GLU 229 N 1.46 4.16 0.00 4.11 2.12 -0.14 -4.92 118.70 125.49 1n5a s GLU 229 Ca 0.67 -0.18 0.00 0.00 0.36 0.00 0.00 54.97 55.82 1n5a s GLU 229 Cb -0.38 -3.46 0.00 0.00 0.26 0.00 0.00 34.13 30.55 1n5a s GLU 229 CO 0.30 0.21 0.00 1.47 -0.54 0.00 0.00 175.26 176.70 1n5a n LEU 230 N 3.79 0.00 -3.89 2.70 -0.00 -1.26 0.88 117.00 119.22 1n5a n LEU 230 Ca -0.15 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 55.76 1n5a n LEU 230 Cb 0.52 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.84 1n5a n LEU 230 CO 0.37 0.00 -0.18 0.68 -0.00 0.00 0.00 177.39 178.26 1n5a s VAL 231 N -1.39 0.10 0.43 1.47 -7.23 -1.11 -4.98 120.40 107.68 1n5a s VAL 231 Ca 0.00 -0.86 -0.26 0.00 -1.81 0.00 0.00 61.98 59.05 1n5a s VAL 231 Cb 0.00 -0.66 -0.09 0.00 0.56 0.00 0.00 36.38 36.19 1n5a s VAL 231 CO 0.00 -0.47 1.43 -1.83 -0.31 0.00 0.00 175.10 173.91 1n5a s GLU 232 N -1.98 3.83 0.33 4.82 -1.05 -1.26 -4.63 118.70 118.76 1n5a s GLU 232 Ca -0.10 2.43 -0.29 0.00 -0.15 0.00 0.00 54.97 56.85 1n5a s GLU 232 Cb -0.05 -2.75 -0.11 0.00 -0.44 0.00 0.00 34.13 30.78 1n5a s GLU 232 CO -0.01 -0.70 1.48 0.99 0.95 0.00 0.00 175.26 177.97 1n5a s THR 233 N -1.19 2.25 0.13 1.83 2.01 -1.26 -4.91 115.64 114.50 1n5a s THR 233 Ca 0.58 0.23 0.06 0.00 0.31 0.00 0.00 61.69 62.87 1n5a s THR 233 Cb -0.44 -3.15 -0.04 0.00 0.01 0.00 0.00 72.50 68.89 1n5a s THR 233 CO 0.57 0.05 -0.13 0.00 -0.69 0.00 0.00 174.62 174.42 1n5a s ARG 234 N -1.34 1.04 0.11 4.92 1.70 -0.62 -4.96 118.95 119.80 1n5a s ARG 234 Ca 0.56 -1.29 -0.30 0.00 -0.47 0.00 0.00 55.73 54.23 1n5a s ARG 234 Cb -0.45 -0.86 -0.06 0.00 -0.57 0.00 0.00 34.95 33.01 1n5a s ARG 234 CO 0.54 0.15 0.97 -1.25 -1.08 0.00 0.00 175.30 174.64 1n5a s PRO 235 N -2.91 4.68 0.48 3.89 0.05 -1.26 0.22 135.00 140.14 1n5a s PRO 235 Ca 0.11 1.47 0.28 0.00 0.05 0.00 0.00 61.00 62.91 1n5a s PRO 235 Cb -0.03 -3.37 0.92 0.00 0.05 0.00 0.00 34.50 32.07 1n5a s PRO 235 CO 0.03 0.19 1.82 0.00 0.05 0.00 0.00 177.00 179.09 1n5a h ALA 236 N 5.60 0.99 0.00 8.56 0.00 -1.50 -3.46 119.26 129.45 1n5a h ALA 236 Ca -0.43 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1n5a h ALA 236 Cb 1.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1n5a h ALA 236 CO 0.72 0.10 0.00 0.41 0.00 0.00 0.00 179.25 180.48 1n5a n GLY 237 N 0.41 0.06 0.99 0.00 0.00 -1.26 -4.91 105.19 100.47 1n5a n GLY 237 Ca 0.01 0.00 0.08 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 3.96 0.00 1.61 5.68 -1.26 -4.95 116.55 121.60 1n5a n ASP 238 Ca 0.00 -2.81 0.00 0.00 -0.50 0.00 0.00 54.79 51.48 1n5a n ASP 238 Cb 0.00 -0.51 0.00 0.00 -1.14 0.00 0.00 41.12 39.47 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 -0.14 3.32 4.02 6.12 0.00 -1.26 -5.06 105.19 112.18 1n5a n GLY 239 Ca 0.21 0.00 -0.22 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 -2.89 2.05 0.28 2.61 -4.23 -1.26 -4.86 115.64 107.34 1n5a s THR 240 Ca 0.00 -0.82 0.06 0.00 -1.18 0.00 0.00 61.69 59.75 1n5a s THR 240 Cb 0.00 -2.23 -0.06 0.00 1.34 0.00 0.00 72.50 71.56 1n5a s THR 240 CO 0.00 0.00 -0.05 -0.36 -0.54 0.00 0.00 174.62 173.67 1n5a s PHE 241 N -2.92 1.94 0.17 3.99 0.40 -0.35 -1.29 117.98 119.92 1n5a s PHE 241 Ca 0.65 -0.73 0.03 0.00 -0.60 0.00 0.00 56.93 56.28 1n5a s PHE 241 Cb -0.05 -1.12 -0.05 0.00 0.51 0.00 0.00 43.02 42.31 1n5a s PHE 241 CO 0.42 0.25 -0.04 -0.65 0.70 0.00 0.00 175.22 175.90 1n5a s GLN 242 N -3.75 1.13 -0.25 0.44 -0.21 0.13 -2.15 119.66 115.01 1n5a s GLN 242 Ca 0.30 -1.53 -0.29 0.00 0.02 0.00 0.00 55.36 53.86 1n5a s GLN 242 Cb 0.04 -0.47 0.18 0.00 1.00 0.00 0.00 33.01 33.75 1n5a s GLN 242 CO 0.12 -0.04 1.27 0.21 -2.12 0.00 0.00 175.29 174.72 1n5a s LYS 243 N -3.84 0.20 0.14 2.91 2.20 -0.75 -1.59 119.74 119.01 1n5a s LYS 243 Ca 0.22 0.05 -0.11 0.00 -0.36 0.00 0.00 55.97 55.77 1n5a s LYS 243 Cb 0.05 0.09 0.01 0.00 -1.51 0.00 0.00 37.83 36.47 1n5a s LYS 243 CO 0.03 -0.06 0.31 1.67 -0.36 0.00 0.00 175.35 176.94 1n5a s TRP 244 N -0.99 0.13 -0.14 4.03 1.48 -1.26 -0.21 118.94 121.97 1n5a s TRP 244 Ca 0.06 -0.50 -0.11 0.00 -1.06 0.00 0.00 56.10 54.49 1n5a s TRP 244 Cb -0.01 0.07 0.04 0.00 -1.16 0.00 0.00 33.47 32.41 1n5a s TRP 244 CO -0.06 -0.69 0.36 0.00 -4.06 0.00 0.00 176.95 172.50 1n5a s ALA 245 N -3.89 -0.89 0.27 2.67 0.00 -0.59 -2.77 121.76 116.56 1n5a s ALA 245 Ca 0.09 1.16 0.02 0.00 0.00 0.00 0.00 51.96 53.23 1n5a s ALA 245 Cb 0.03 -0.69 -0.04 0.00 0.00 0.00 0.00 23.12 22.41 1n5a s ALA 245 CO -0.06 -0.20 0.12 -1.54 0.00 0.00 0.00 175.76 174.08 1n5a s SER 246 N 0.67 1.23 0.04 0.00 1.04 0.25 -0.61 113.70 116.32 1n5a s SER 246 Ca -0.04 -1.45 -0.17 0.00 0.48 0.00 0.00 55.95 54.77 1n5a s SER 246 Cb -0.05 0.26 0.03 0.00 0.10 0.00 0.00 66.02 66.37 1n5a s SER 246 CO -0.04 -0.80 0.40 0.68 0.98 0.00 0.00 173.24 174.45 1n5a s VAL 247 N -3.74 0.06 -0.19 5.02 -7.23 -0.60 -0.97 120.40 112.75 1n5a s VAL 247 Ca 0.37 -0.48 -0.15 0.00 -1.81 0.00 0.00 61.98 59.90 1n5a s VAL 247 Cb 0.07 -0.93 -0.04 0.00 0.56 0.00 0.00 36.38 36.03 1n5a s VAL 247 CO 0.15 -0.27 0.38 0.68 -0.31 0.00 0.00 175.10 175.73 1n5a s VAL 248 N -2.42 5.23 0.01 1.32 -7.23 -1.26 -1.59 120.40 114.46 1n5a s VAL 248 Ca -0.06 0.68 0.02 0.00 -1.81 0.00 0.00 61.98 60.81 1n5a s VAL 248 Cb -0.01 -3.71 -0.01 0.00 0.56 0.00 0.00 36.38 33.21 1n5a s VAL 248 CO -0.02 0.29 -0.07 -0.69 -0.31 0.00 0.00 175.10 174.30 1n5a s VAL 249 N 1.07 0.50 0.05 1.32 1.01 0.08 -4.97 120.40 119.45 1n5a s VAL 249 Ca 0.19 -0.55 -0.31 0.00 0.00 0.00 0.00 61.98 61.31 1n5a s VAL 249 Cb -0.14 -0.48 -0.07 0.00 0.00 0.00 0.00 36.38 35.69 1n5a s VAL 249 CO 0.07 -0.05 1.51 -2.84 0.00 0.00 0.00 175.10 173.79 1n5a s PRO 250 N -0.66 4.25 0.12 2.72 0.02 -1.26 -0.04 135.00 140.15 1n5a s PRO 250 Ca -0.02 2.15 -0.34 0.00 0.02 0.00 0.00 61.00 62.80 1n5a s PRO 250 Cb -0.05 -3.52 -0.17 0.00 0.02 0.00 0.00 34.50 30.78 1n5a s PRO 250 CO 0.00 -0.62 1.06 -0.11 -0.33 0.00 0.00 177.00 176.99 1n5a n LEU 251 N 5.20 0.68 0.00 -5.54 0.00 -0.80 -1.36 117.00 115.18 1n5a n LEU 251 Ca 0.14 1.14 0.00 0.00 0.00 0.00 0.00 56.01 57.29 1n5a n LEU 251 Cb 0.42 -1.09 0.00 0.00 0.00 0.00 0.00 43.42 42.75 1n5a n LEU 251 CO 0.60 -1.70 0.00 0.61 0.00 0.00 0.00 177.39 176.90 1n5a n GLY 252 N 1.92 2.20 1.27 -3.96 0.00 -1.26 -4.82 105.19 100.54 1n5a n GLY 252 Ca 0.17 -0.43 -0.01 0.00 0.00 0.00 0.00 46.02 45.75 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 1.05 0.01 1.61 5.02 -0.47 -4.39 118.16 120.99 1n5a n LYS 253 Ca 0.00 -0.11 -0.12 0.00 -2.02 0.00 0.00 58.31 56.06 1n5a n LYS 253 Cb 0.00 -1.04 -0.14 0.00 -0.02 0.00 0.00 35.03 33.83 1n5a n LYS 253 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 1n5a h GLU 254 N 0.49 0.09 0.00 1.97 9.09 -1.88 -3.39 114.58 120.95 1n5a h GLU 254 Ca 0.02 -0.15 0.00 0.00 0.05 0.00 0.00 59.36 59.28 1n5a h GLU 254 Cb 1.03 0.06 0.00 0.00 -1.65 0.00 0.00 28.75 28.19 1n5a h GLU 254 CO 0.05 0.78 0.13 1.96 0.05 0.00 0.00 179.01 181.98 1n5a h GLN 255 N 0.02 0.00 -0.01 1.06 1.08 -1.97 0.11 115.11 115.41 1n5a h GLN 255 Ca -0.27 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.93 1n5a h GLN 255 Cb 1.99 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.42 1n5a h GLN 255 CO 0.10 0.00 -0.17 0.27 -0.95 0.00 0.00 178.83 178.08 1n5a n ASN 256 N -2.87 1.17 -4.66 1.46 6.94 -1.26 -4.78 115.26 111.26 1n5a n ASN 256 Ca -0.02 -1.08 -0.40 0.00 -0.02 0.00 0.00 54.58 53.06 1n5a n ASN 256 Cb 0.19 0.09 -0.06 0.00 -2.36 0.00 0.00 39.78 37.64 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 -2.34 3.39 0.02 -2.53 2.02 0.03 -2.25 117.35 115.69 1n5a s TYR 257 Ca 0.29 0.90 0.07 0.00 -0.37 0.00 0.00 57.07 57.96 1n5a s TYR 257 Cb 0.20 -2.76 -0.02 0.00 -0.40 0.00 0.00 41.96 38.97 1n5a s TYR 257 CO 0.46 -0.14 -0.21 0.95 -1.57 0.00 0.00 175.55 175.04 1n5a s THR 258 N 1.76 1.70 0.01 -0.71 -4.23 -0.71 -2.78 115.64 110.69 1n5a s THR 258 Ca 0.28 -1.11 0.01 0.00 -1.18 0.00 0.00 61.69 59.68 1n5a s THR 258 Cb -0.16 -1.45 -0.04 0.00 1.34 0.00 0.00 72.50 72.19 1n5a s THR 258 CO 0.10 0.31 0.06 0.00 -0.54 0.00 0.00 174.62 174.55 1n5a s ARG 260 N -1.82 1.48 -0.20 0.00 0.52 0.88 -1.40 118.95 118.40 1n5a s ARG 260 Ca 0.23 -0.62 0.02 0.00 -0.52 0.00 0.00 55.73 54.84 1n5a s ARG 260 Cb -0.12 -1.40 0.03 0.00 0.52 0.00 0.00 34.95 33.99 1n5a s ARG 260 CO 0.15 0.35 -0.16 0.08 0.02 0.00 0.00 175.30 175.73 1n5a s VAL 261 N -0.31 2.00 -0.28 3.52 1.01 -0.55 -1.65 120.40 124.14 1n5a s VAL 261 Ca 0.04 -1.13 -0.09 0.00 0.00 0.00 0.00 61.98 60.81 1n5a s VAL 261 Cb -0.08 -1.93 -0.02 0.00 0.00 0.00 0.00 36.38 34.34 1n5a s VAL 261 CO -0.00 0.32 0.13 -0.31 0.00 0.00 0.00 175.10 175.24 1n5a s TYR 262 N 1.26 3.15 -0.00 5.22 1.51 -0.50 -0.91 117.35 127.07 1n5a s TYR 262 Ca 0.00 -0.37 -0.10 0.00 -1.01 0.00 0.00 57.07 55.59 1n5a s TYR 262 Cb -0.15 -2.31 0.01 0.00 -0.11 0.00 0.00 41.96 39.39 1n5a s TYR 262 CO -0.10 -0.36 0.20 -1.58 -1.11 0.00 0.00 175.55 172.61 1n5a s HIS 263 N 1.64 -0.04 -1.14 2.71 2.46 -1.26 -1.91 115.29 117.76 1n5a s HIS 263 Ca 0.06 0.01 0.28 0.00 0.47 0.00 0.00 55.06 55.89 1n5a s HIS 263 Cb -0.16 0.01 1.29 0.00 -0.13 0.00 0.00 32.58 33.58 1n5a s HIS 263 CO 0.06 -0.33 1.94 -0.85 -2.47 0.00 0.00 174.74 173.09 1n5a n GLU 264 N 1.36 0.13 -0.67 2.88 0.28 -1.26 -2.61 120.64 120.75 1n5a n GLU 264 Ca -0.22 0.01 0.08 0.00 -0.16 0.00 0.00 57.16 56.87 1n5a n GLU 264 Cb 0.56 -1.50 0.33 0.00 1.43 0.00 0.00 31.44 32.26 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 1.34 3.51 3.75 -1.84 0.00 -1.26 -4.92 105.19 105.77 1n5a n GLY 265 Ca 0.09 -0.98 -0.36 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.78 4.26 0.15 0.99 2.96 -1.07 -4.75 118.68 118.43 1n5a s LEU 266 Ca 0.48 0.45 -0.26 0.00 -0.22 0.00 0.00 54.13 54.58 1n5a s LEU 266 Cb 0.38 -2.28 -0.00 0.00 0.50 0.00 0.00 46.19 44.79 1n5a s LEU 266 CO 0.13 0.16 1.59 -0.65 -1.32 0.00 0.00 176.35 176.26 1n5a h PRO 267 N 6.43 -0.35 -4.00 0.98 0.11 -1.91 -3.46 132.00 129.81 1n5a h PRO 267 Ca -0.43 0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.58 1n5a h PRO 267 Cb 1.17 0.08 -0.13 0.00 0.11 0.00 0.00 31.00 32.23 1n5a h PRO 267 CO 0.74 -0.23 -0.37 -1.21 -0.21 0.00 0.00 178.00 176.71 1n5a s GLU 268 N -5.94 1.18 0.52 1.05 2.02 -1.26 -5.14 118.70 111.14 1n5a s GLU 268 Ca -0.15 -1.26 -0.21 0.00 0.02 0.00 0.00 54.97 53.37 1n5a s GLU 268 Cb 0.11 0.36 -0.07 0.00 0.10 0.00 0.00 34.13 34.63 1n5a s GLU 268 CO 0.66 -0.42 0.98 -2.30 0.02 0.00 0.00 175.26 174.19 1n5a n PRO 269 N -0.22 1.11 -3.17 0.39 -0.02 -1.26 -4.91 135.00 126.92 1n5a n PRO 269 Ca -0.06 0.41 -0.32 0.00 -2.02 0.00 0.00 63.50 61.52 1n5a n PRO 269 Cb 0.63 -2.12 -0.06 0.00 -0.02 0.00 0.00 33.50 31.94 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 -1.32 4.06 -0.21 2.45 1.43 -0.09 -4.87 118.68 120.14 1n5a s LEU 270 Ca 0.70 1.19 -0.01 0.00 -1.03 0.00 0.00 54.13 54.98 1n5a s LEU 270 Cb -0.47 -3.99 0.06 0.00 0.03 0.00 0.00 46.19 41.82 1n5a s LEU 270 CO 0.52 -0.20 -0.01 -0.89 0.23 0.00 0.00 176.35 176.00 1n5a s THR 271 N -1.99 1.03 -0.09 5.49 2.01 -1.26 -1.48 115.64 119.35 1n5a s THR 271 Ca 0.53 -0.89 0.03 0.00 0.31 0.00 0.00 61.69 61.66 1n5a s THR 271 Cb -0.10 -1.41 0.01 0.00 0.01 0.00 0.00 72.50 71.00 1n5a s THR 271 CO 0.19 -0.15 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.05 1n5a s LEU 272 N 1.63 1.80 0.00 4.42 1.43 -0.50 -4.97 118.68 122.50 1n5a s LEU 272 Ca -0.03 -0.42 0.00 0.00 -1.03 0.00 0.00 54.13 52.65 1n5a s LEU 272 Cb -0.18 -1.08 0.00 0.00 0.03 0.00 0.00 46.19 44.96 1n5a s LEU 272 CO -0.07 0.07 0.00 -2.11 0.23 0.00 0.00 176.35 174.47 1n5a n ARG 273 N 3.84 1.07 0.00 1.70 1.85 -1.26 0.36 116.66 124.22 1n5a n ARG 273 Ca -0.21 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.64 1n5a n ARG 273 Cb 0.52 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.93 1n5a n ARG 273 CO 0.00 0.00 0.00 0.91 -0.01 0.00 0.00 177.63 178.53