#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n8r s ARG 2 N 0.00 0.64 -0.03 -0.52 3.52 -1.26 -1.68 118.95 119.62 1n8r s ARG 2 Ca 0.00 1.16 0.07 0.00 -0.13 0.00 0.00 55.73 56.83 1n8r s ARG 2 Cb 0.00 0.22 -0.02 0.00 -1.56 0.00 0.00 34.95 33.59 1n8r s ARG 2 CO 0.00 -0.14 -0.25 0.14 -0.81 0.00 0.00 175.30 174.23 1n8r s VAL 3 N 1.75 2.07 -0.14 7.11 -7.23 0.47 -4.99 120.40 119.44 1n8r s VAL 3 Ca -0.09 -1.09 0.01 0.00 -1.81 0.00 0.00 61.98 58.99 1n8r s VAL 3 Cb -0.06 -1.72 -0.01 0.00 0.56 0.00 0.00 36.38 35.16 1n8r s VAL 3 CO -0.19 0.58 -0.16 -1.61 -0.31 0.00 0.00 175.10 173.41 1n8r s GLU 4 N -0.48 3.25 -0.37 4.82 2.02 -1.26 -1.51 118.70 125.16 1n8r s GLU 4 Ca 0.06 -0.75 -0.06 0.00 0.02 0.00 0.00 54.97 54.25 1n8r s GLU 4 Cb -0.11 -2.59 0.07 0.00 0.10 0.00 0.00 34.13 31.60 1n8r s GLU 4 CO 0.00 0.09 0.16 -0.51 0.02 0.00 0.00 175.26 175.03 1n8r s LEU 5 N 0.63 4.73 -0.07 1.80 1.43 -0.28 -4.96 118.68 121.96 1n8r s LEU 5 Ca -0.08 -1.47 -0.30 0.00 -1.03 0.00 0.00 54.13 51.25 1n8r s LEU 5 Cb -0.16 -1.87 -0.05 0.00 0.03 0.00 0.00 46.19 44.14 1n8r s LEU 5 CO 0.03 -0.43 1.53 -1.61 0.23 0.00 0.00 176.35 176.10 1n8r s GLU 6 N 1.33 4.21 0.18 1.70 2.02 -1.26 -1.73 118.70 125.14 1n8r s GLU 6 Ca 0.01 2.05 -0.30 0.00 0.02 0.00 0.00 54.97 56.75 1n8r s GLU 6 Cb -0.21 -3.87 -0.08 0.00 0.10 0.00 0.00 34.13 30.07 1n8r s GLU 6 CO 0.00 -0.78 1.09 -1.50 0.02 0.00 0.00 175.26 174.09 1n8r s ILE 7 N 3.66 3.90 0.48 -1.63 2.07 -0.52 -4.98 121.20 124.18 1n8r s ILE 7 Ca 0.68 1.66 -0.23 0.00 -1.41 0.00 0.00 60.65 61.35 1n8r s ILE 7 Cb -0.31 -4.06 -0.08 0.00 0.13 0.00 0.00 42.46 38.15 1n8r s ILE 7 CO 0.26 0.29 1.13 -2.65 -1.91 0.00 0.00 174.94 172.06 1n8r n PRO 8 N 2.33 1.48 0.30 3.50 -0.02 -1.26 -4.87 135.00 136.46 1n8r n PRO 8 Ca 0.02 0.54 0.15 0.00 -2.02 0.00 0.00 63.50 62.19 1n8r n PRO 8 Cb 0.46 -2.26 0.92 0.00 -0.02 0.00 0.00 33.50 32.61 1n8r n PRO 8 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1n8r h GLU 9 N 1.45 0.00 0.00 -0.52 4.11 -1.99 0.35 114.58 117.97 1n8r h GLU 9 Ca -0.47 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 58.95 1n8r h GLU 9 Cb 1.33 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.57 1n8r h GLU 9 CO 0.56 0.01 -0.05 0.22 0.07 0.00 0.00 179.01 179.83 1n8r h ASP 10 N 0.00 0.00 -1.98 3.06 1.82 -1.97 -3.46 116.42 113.88 1n8r h ASP 10 Ca -0.00 0.00 -0.53 0.00 -0.39 0.00 0.00 57.03 56.11 1n8r h ASP 10 Cb 0.03 0.00 -0.07 0.00 0.68 0.00 0.00 39.33 39.98 1n8r h ASP 10 CO 0.00 0.05 -0.53 -0.69 -1.61 0.00 0.00 179.24 176.46 1n8r s VAL 11 N -3.47 3.44 -0.05 2.25 1.01 0.11 -4.52 120.40 119.17 1n8r s VAL 11 Ca 0.03 -1.61 -0.00 0.00 0.00 0.00 0.00 61.98 60.40 1n8r s VAL 11 Cb 0.08 -3.07 0.03 0.00 0.00 0.00 0.00 36.38 33.41 1n8r s VAL 11 CO 0.61 -0.24 -0.01 -1.81 0.00 0.00 0.00 175.10 173.65 1n8r s ASP 12 N -3.85 1.11 -0.13 3.32 1.01 -0.79 -4.79 116.67 112.55 1n8r s ASP 12 Ca 0.37 -0.07 -0.00 0.00 0.71 0.00 0.00 52.55 53.55 1n8r s ASP 12 Cb -0.05 -0.38 0.03 0.00 1.01 0.00 0.00 42.92 43.53 1n8r s ASP 12 CO 0.23 -0.13 -0.10 0.00 0.21 0.00 0.00 175.17 175.38 1n8r s ALA 13 N 1.46 1.57 0.23 5.23 0.00 -1.26 -0.71 121.76 128.28 1n8r s ALA 13 Ca -0.03 -0.73 0.10 0.00 0.00 0.00 0.00 51.96 51.30 1n8r s ALA 13 Cb -0.13 -1.00 -0.04 0.00 0.00 0.00 0.00 23.12 21.94 1n8r s ALA 13 CO -0.03 -0.45 -0.10 -2.00 0.00 0.00 0.00 175.76 173.18 1n8r s GLU 14 N 1.61 2.01 -0.29 0.00 2.12 -0.51 -4.91 118.70 118.72 1n8r s GLU 14 Ca 0.04 -1.46 -0.12 0.00 0.36 0.00 0.00 54.97 53.80 1n8r s GLU 14 Cb -0.13 -2.04 0.12 0.00 0.26 0.00 0.00 34.13 32.34 1n8r s GLU 14 CO -0.09 0.38 0.67 -1.14 -0.54 0.00 0.00 175.26 174.54 1n8r s GLN 15 N -3.27 0.61 -0.11 4.30 -0.44 -1.26 -0.39 119.66 119.10 1n8r s GLN 15 Ca 0.28 1.38 0.04 0.00 -2.50 0.00 0.00 55.36 54.56 1n8r s GLN 15 Cb -0.07 0.68 0.00 0.00 -1.64 0.00 0.00 33.01 31.99 1n8r s GLN 15 CO 0.16 -0.19 -0.24 0.16 0.50 0.00 0.00 175.29 175.69 1n8r s ASP 16 N 2.57 3.09 1.42 6.67 -4.77 -0.98 -4.87 116.67 119.80 1n8r s ASP 16 Ca -0.07 -0.57 0.00 0.00 -3.30 0.00 0.00 52.55 48.61 1n8r s ASP 16 Cb -0.10 -1.41 0.00 0.00 -1.09 0.00 0.00 42.92 40.31 1n8r s ASP 16 CO -0.19 0.14 0.00 1.41 0.70 0.00 0.00 175.17 177.23 1n8r n HIS 17 N 3.63 0.00 0.13 2.11 8.25 -1.26 -2.57 115.22 125.52 1n8r n HIS 17 Ca -0.19 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.33 1n8r n HIS 17 Cb 0.53 0.00 0.12 0.00 1.12 0.00 0.00 29.99 31.76 1n8r n HIS 17 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1n8r n LEU 18 N 0.00 2.65 -4.58 2.41 4.77 -1.26 -4.93 117.00 116.07 1n8r n LEU 18 Ca 0.00 -1.55 -0.34 0.00 -0.03 0.00 0.00 56.01 54.09 1n8r n LEU 18 Cb 0.00 -0.15 -0.11 0.00 -2.33 0.00 0.00 43.42 40.83 1n8r n LEU 18 CO 0.00 0.60 -0.29 -1.81 -1.33 0.00 0.00 177.39 174.56 1n8r s ASP 19 N -1.05 5.27 -0.04 -1.43 1.01 -1.06 -0.73 116.67 118.64 1n8r s ASP 19 Ca 0.22 -0.01 0.05 0.00 0.71 0.00 0.00 52.55 53.53 1n8r s ASP 19 Cb 0.13 -1.89 -0.02 0.00 1.01 0.00 0.00 42.92 42.15 1n8r s ASP 19 CO 0.18 0.17 -0.20 -0.63 0.21 0.00 0.00 175.17 174.91 1n8r s ILE 20 N 0.36 2.60 -0.02 0.77 1.01 0.86 -2.32 121.20 124.46 1n8r s ILE 20 Ca -0.00 -0.89 0.05 0.00 0.00 0.00 0.00 60.65 59.81 1n8r s ILE 20 Cb -0.13 -1.98 -0.01 0.00 0.01 0.00 0.00 42.46 40.35 1n8r s ILE 20 CO 0.01 0.58 -0.18 -0.89 0.00 0.00 0.00 174.94 174.47 1n8r s THR 21 N -0.63 1.41 -0.10 2.92 2.01 0.48 -0.51 115.64 121.23 1n8r s THR 21 Ca 0.10 -0.75 0.02 0.00 0.31 0.00 0.00 61.69 61.36 1n8r s THR 21 Cb -0.11 -1.18 0.01 0.00 0.01 0.00 0.00 72.50 71.23 1n8r s THR 21 CO 0.00 0.40 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.49 1n8r s VAL 22 N -0.32 1.45 -0.03 3.82 1.01 0.07 -1.43 120.40 124.96 1n8r s VAL 22 Ca 0.05 -0.63 0.06 0.00 0.00 0.00 0.00 61.98 61.46 1n8r s VAL 22 Cb -0.08 -1.31 -0.01 0.00 0.00 0.00 0.00 36.38 34.97 1n8r s VAL 22 CO -0.00 0.43 -0.23 -1.61 0.00 0.00 0.00 175.10 173.69 1n8r s GLU 23 N 0.86 2.05 0.35 2.72 2.02 0.11 -0.79 118.70 126.02 1n8r s GLU 23 Ca -0.10 -0.81 0.02 0.00 0.02 0.00 0.00 54.97 54.10 1n8r s GLU 23 Cb -0.15 -1.86 -0.01 0.00 0.10 0.00 0.00 34.13 32.21 1n8r s GLU 23 CO 0.01 0.42 0.42 0.41 0.02 0.00 0.00 175.26 176.54 1n8r n GLY 24 N 2.76 2.37 0.31 -1.39 0.00 0.13 -1.89 105.19 107.48 1n8r n GLY 24 Ca -0.17 -1.73 0.15 0.00 0.00 0.00 0.00 46.02 44.28 1n8r n GLY 24 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1n8r h ASP 25 N 2.06 0.00 0.27 1.61 3.32 -1.70 -0.93 116.42 121.05 1n8r h ASP 25 Ca -0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.78 1n8r h ASP 25 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 1n8r h ASP 25 CO 0.37 0.00 -0.20 -3.20 -1.72 0.00 0.00 179.24 174.49 1n8r n ASN 26 N -3.85 0.85 0.00 6.45 5.15 0.74 -5.04 115.26 119.57 1n8r n ASN 26 Ca -0.02 -0.80 0.00 0.00 -0.60 0.00 0.00 54.58 53.16 1n8r n ASN 26 Cb 0.14 0.06 0.00 0.00 -0.53 0.00 0.00 39.78 39.45 1n8r n ASN 26 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1n8r n GLY 27 N 1.32 0.88 3.10 8.20 0.00 -0.36 -4.75 105.19 113.59 1n8r n GLY 27 Ca 0.13 -1.80 -0.12 0.00 0.00 0.00 0.00 46.02 44.23 1n8r n GLY 27 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1n8r s SER 28 N -4.00 -0.15 -0.04 1.61 1.04 -1.26 0.21 113.70 111.11 1n8r s SER 28 Ca 0.00 0.23 0.01 0.00 0.48 0.00 0.00 55.95 56.68 1n8r s SER 28 Cb 0.00 0.36 0.02 0.00 0.10 0.00 0.00 66.02 66.50 1n8r s SER 28 CO 0.00 -0.17 -0.06 -0.69 0.98 0.00 0.00 173.24 173.30 1n8r s VAL 29 N -0.37 0.62 -0.08 5.02 1.01 0.03 -4.91 120.40 121.73 1n8r s VAL 29 Ca -0.05 -0.20 0.03 0.00 0.00 0.00 0.00 61.98 61.77 1n8r s VAL 29 Cb -0.03 -0.62 -0.02 0.00 0.00 0.00 0.00 36.38 35.72 1n8r s VAL 29 CO 0.01 0.23 -0.18 -0.89 0.00 0.00 0.00 175.10 174.27 1n8r s THR 30 N 0.72 2.64 0.12 3.92 2.01 -1.26 -0.75 115.64 123.04 1n8r s THR 30 Ca -0.10 -0.85 0.03 0.00 0.31 0.00 0.00 61.69 61.08 1n8r s THR 30 Cb -0.13 -2.03 -0.04 0.00 0.01 0.00 0.00 72.50 70.30 1n8r s THR 30 CO 0.01 0.56 -0.07 -0.13 -0.69 0.00 0.00 174.62 174.30 1n8r s ARG 31 N -0.13 0.93 -0.21 4.92 0.52 0.33 -4.96 118.95 120.35 1n8r s ARG 31 Ca -0.03 -1.39 -0.05 0.00 -0.52 0.00 0.00 55.73 53.74 1n8r s ARG 31 Cb -0.14 -0.34 -0.02 0.00 0.52 0.00 0.00 34.95 34.96 1n8r s ARG 31 CO 0.04 0.00 0.01 0.50 0.02 0.00 0.00 175.30 175.87 1n8r s ARG 32 N -3.81 3.60 -0.67 3.54 3.52 -1.26 -0.10 118.95 123.76 1n8r s ARG 32 Ca 0.14 -0.52 0.03 0.00 -0.13 0.00 0.00 55.73 55.25 1n8r s ARG 32 Cb 0.04 -3.11 0.16 0.00 -1.56 0.00 0.00 34.95 30.49 1n8r s ARG 32 CO -0.02 -0.05 0.46 -0.51 -0.81 0.00 0.00 175.30 174.37 1n8r s LEU 33 N 1.16 4.82 -0.30 -0.88 1.43 0.09 -5.00 118.68 120.00 1n8r s LEU 33 Ca 0.03 -3.54 -0.05 0.00 -1.03 0.00 0.00 54.13 49.54 1n8r s LEU 33 Cb -0.14 -1.69 0.02 0.00 0.03 0.00 0.00 46.19 44.41 1n8r s LEU 33 CO 0.01 -0.16 0.05 0.86 0.23 0.00 0.00 176.35 177.35 1n8r s TRP 34 N -1.02 3.16 -0.07 0.29 -0.00 -1.26 -4.89 118.94 115.14 1n8r s TRP 34 Ca 0.22 -1.26 -0.13 0.00 -0.00 0.00 0.00 56.10 54.93 1n8r s TRP 34 Cb -0.12 -2.21 0.03 0.00 -0.00 0.00 0.00 33.47 31.17 1n8r s TRP 34 CO -0.11 -0.66 0.32 -0.47 -0.00 0.00 0.00 176.95 176.04 1n8r s TYR 35 N 1.42 -0.27 -0.29 5.86 5.04 -1.26 -5.12 117.35 122.73 1n8r s TYR 35 Ca 0.01 0.58 -0.38 0.00 -2.44 0.00 0.00 57.07 54.84 1n8r s TYR 35 Cb -0.18 0.11 -0.13 0.00 0.35 0.00 0.00 41.96 42.11 1n8r s TYR 35 CO 0.01 -0.28 1.97 -2.30 -1.34 0.00 0.00 175.55 173.60 1n8r n PRO 36 N 2.10 1.21 -1.82 4.97 -0.02 -1.26 -2.43 135.00 137.76 1n8r n PRO 36 Ca -0.17 0.40 -0.14 0.00 -2.02 0.00 0.00 63.50 61.57 1n8r n PRO 36 Cb 0.57 -2.30 -0.03 0.00 -0.02 0.00 0.00 33.50 31.72 1n8r n PRO 36 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1n8r n ASP 37 N 7.50 -4.43 -4.22 2.55 8.00 -1.26 -5.01 116.55 119.68 1n8r n ASP 37 Ca 0.33 0.17 -0.34 0.00 0.71 0.00 0.00 54.79 55.66 1n8r n ASP 37 Cb 0.18 -3.36 -0.14 0.00 -0.02 0.00 0.00 41.12 37.78 1n8r n ASP 37 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1n8r s ILE 38 N -2.59 2.89 -0.20 0.53 1.01 -1.02 -4.21 121.20 117.61 1n8r s ILE 38 Ca 0.00 -0.85 -0.10 0.00 0.00 0.00 0.00 60.65 59.70 1n8r s ILE 38 Cb 0.00 -2.39 -0.05 0.00 0.01 0.00 0.00 42.46 40.03 1n8r s ILE 38 CO 0.00 0.32 0.12 -1.81 0.00 0.00 0.00 174.94 173.57 1n8r s ASP 39 N 1.37 6.12 -0.14 3.58 1.01 -0.27 -4.67 116.67 123.67 1n8r s ASP 39 Ca 0.03 0.20 -0.00 0.00 0.71 0.00 0.00 52.55 53.48 1n8r s ASP 39 Cb -0.15 -2.08 -0.01 0.00 1.01 0.00 0.00 42.92 41.69 1n8r s ASP 39 CO -0.05 0.17 -0.13 -0.69 0.21 0.00 0.00 175.17 174.67 1n8r s VAL 40 N 0.44 2.92 0.06 -1.27 1.01 -1.25 -2.09 120.40 120.23 1n8r s VAL 40 Ca 0.07 -0.69 -0.09 0.00 0.00 0.00 0.00 61.98 61.27 1n8r s VAL 40 Cb -0.11 -2.23 0.00 0.00 0.00 0.00 0.00 36.38 34.03 1n8r s VAL 40 CO -0.01 0.52 0.19 -0.94 0.00 0.00 0.00 175.10 174.86 1n8r s SER 41 N 0.57 0.08 -0.44 3.32 1.04 -0.40 -4.95 113.70 112.92 1n8r s SER 41 Ca -0.08 -0.51 -0.13 0.00 0.48 0.00 0.00 55.95 55.71 1n8r s SER 41 Cb -0.16 0.31 0.07 0.00 0.10 0.00 0.00 66.02 66.34 1n8r s SER 41 CO 0.03 -0.64 0.32 -0.69 0.98 0.00 0.00 173.24 173.24 1n8r s VAL 42 N -3.21 4.80 -1.15 5.02 1.01 -1.26 0.11 120.40 125.72 1n8r s VAL 42 Ca -0.00 -1.14 -0.09 0.00 0.00 0.00 0.00 61.98 60.76 1n8r s VAL 42 Cb 0.02 -3.86 0.25 0.00 0.00 0.00 0.00 36.38 32.79 1n8r s VAL 42 CO -0.07 -0.50 1.38 -0.67 0.00 0.00 0.00 175.10 175.23 1n8r n ASP 43 N 5.08 5.65 0.00 3.32 2.03 0.27 -4.94 116.55 127.96 1n8r n ASP 43 Ca -0.11 -3.14 0.00 0.00 0.52 0.00 0.00 54.79 52.06 1n8r n ASP 43 Cb 0.44 -1.40 0.00 0.00 -0.72 0.00 0.00 41.12 39.44 1n8r n ASP 43 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1n8r n GLY 44 N 2.61 0.20 0.01 0.27 0.00 -1.26 -1.94 105.19 105.08 1n8r n GLY 44 Ca 0.29 0.68 0.12 0.00 0.00 0.00 0.00 46.02 47.11 1n8r n GLY 44 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1n8r n ASP 45 N 2.55 0.61 -4.02 1.61 5.75 -1.26 -4.93 116.55 116.86 1n8r n ASP 45 Ca 0.00 -0.36 -0.12 0.00 -0.01 0.00 0.00 54.79 54.30 1n8r n ASP 45 Cb 0.00 0.44 -0.12 0.00 -1.03 0.00 0.00 41.12 40.41 1n8r n ASP 45 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1n8r s THR 46 N -3.03 0.40 -0.06 2.12 -4.23 -0.82 -1.44 115.64 108.57 1n8r s THR 46 Ca 0.09 -0.90 -0.10 0.00 -1.18 0.00 0.00 61.69 59.61 1n8r s THR 46 Cb 0.17 -0.47 -0.05 0.00 1.34 0.00 0.00 72.50 73.49 1n8r s THR 46 CO 0.74 -0.34 0.25 -0.69 -0.54 0.00 0.00 174.62 174.04 1n8r s VAL 47 N -1.20 5.31 -0.13 2.29 1.01 -0.71 0.95 120.40 127.92 1n8r s VAL 47 Ca -0.10 0.44 0.01 0.00 0.00 0.00 0.00 61.98 62.34 1n8r s VAL 47 Cb -0.09 -3.53 -0.01 0.00 0.00 0.00 0.00 36.38 32.75 1n8r s VAL 47 CO -0.00 0.58 -0.17 -0.69 0.00 0.00 0.00 175.10 174.82 1n8r s VAL 48 N -1.07 2.66 -0.20 2.92 1.01 0.30 -1.13 120.40 124.89 1n8r s VAL 48 Ca 0.19 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.38 1n8r s VAL 48 Cb -0.14 -2.09 0.02 0.00 0.00 0.00 0.00 36.38 34.17 1n8r s VAL 48 CO 0.09 0.53 -0.16 -0.63 0.00 0.00 0.00 175.10 174.93 1n8r s ILE 49 N 0.45 2.30 0.16 2.22 1.01 -0.57 -1.28 121.20 125.49 1n8r s ILE 49 Ca -0.12 -0.94 -0.12 0.00 0.00 0.00 0.00 60.65 59.47 1n8r s ILE 49 Cb -0.16 -2.02 0.01 0.00 0.01 0.00 0.00 42.46 40.29 1n8r s ILE 49 CO 0.05 0.45 0.34 -1.83 0.00 0.00 0.00 174.94 173.96 1n8r s GLU 50 N 1.30 1.17 0.11 2.79 -1.05 -0.89 -0.40 118.70 121.74 1n8r s GLU 50 Ca 0.04 -1.03 -0.25 0.00 -0.15 0.00 0.00 54.97 53.58 1n8r s GLU 50 Cb -0.14 0.42 0.08 0.00 -0.44 0.00 0.00 34.13 34.05 1n8r s GLU 50 CO -0.10 -0.44 0.69 0.45 0.95 0.00 0.00 175.26 176.81 1n8r s SER 51 N -2.92 -0.49 0.02 0.83 0.15 -0.67 -1.11 113.70 109.50 1n8r s SER 51 Ca 0.12 -0.02 0.25 0.00 0.70 0.00 0.00 55.95 57.00 1n8r s SER 51 Cb 0.02 0.54 0.55 0.00 -1.71 0.00 0.00 66.02 65.42 1n8r s SER 51 CO -0.03 -0.88 1.45 0.47 1.20 0.00 0.00 173.24 175.45 1n8r n ASP 52 N -0.34 0.48 -4.90 5.45 8.00 -1.26 -1.70 116.55 122.27 1n8r n ASP 52 Ca -0.14 -0.12 -0.33 0.00 0.71 0.00 0.00 54.79 54.91 1n8r n ASP 52 Cb 0.64 0.17 -0.05 0.00 -0.02 0.00 0.00 41.12 41.86 1n8r n ASP 52 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1n8r s GLU 53 N -3.03 3.47 -0.02 -1.24 2.02 -1.26 -4.67 118.70 113.97 1n8r s GLU 53 Ca 0.11 -0.29 0.03 0.00 0.02 0.00 0.00 54.97 54.84 1n8r s GLU 53 Cb 0.17 -3.07 0.05 0.00 0.10 0.00 0.00 34.13 31.38 1n8r s GLU 53 CO 0.69 0.65 1.03 -0.40 0.02 0.00 0.00 175.26 177.24 1n8r n ASP 54 N 0.84 2.06 -4.73 -0.19 5.75 -1.26 -4.42 116.55 114.60 1n8r n ASP 54 Ca -0.10 -2.18 -0.35 0.00 -0.01 0.00 0.00 54.79 52.16 1n8r n ASP 54 Cb 0.52 -0.07 0.08 0.00 -1.03 0.00 0.00 41.12 40.62 1n8r n ASP 54 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1n8r s ASN 55 N -1.31 4.47 0.24 -1.12 2.20 -1.26 -4.66 114.94 113.50 1n8r s ASN 55 Ca 0.05 2.40 -0.08 0.00 -0.94 0.00 0.00 52.86 54.29 1n8r s ASN 55 Cb 0.05 -2.59 0.40 0.00 -2.00 0.00 0.00 41.25 37.10 1n8r s ASN 55 CO 0.01 -2.08 1.62 0.00 -2.94 0.00 0.00 177.10 173.71 1n8r h ALA 56 N 0.07 0.70 -0.54 3.54 0.00 -1.99 0.12 119.26 121.16 1n8r h ALA 56 Ca -0.49 0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.72 1n8r h ALA 56 Cb 1.30 0.48 -0.03 0.00 0.00 0.00 0.00 17.79 19.54 1n8r h ALA 56 CO 0.51 -0.43 0.36 0.87 0.00 0.00 0.00 179.25 180.56 1n8r h LYS 57 N 0.06 0.57 -0.02 0.00 1.57 -2.00 0.29 116.57 117.04 1n8r h LYS 57 Ca 0.40 -0.03 -0.18 0.00 -1.87 0.00 0.00 60.65 58.97 1n8r h LYS 57 Cb 0.68 -0.13 0.01 0.00 0.08 0.00 0.00 32.23 32.88 1n8r h LYS 57 CO -0.71 0.38 -0.69 1.15 -0.57 0.00 0.00 179.45 179.01 1n8r h THR 58 N 0.59 1.38 -0.84 -0.16 2.02 -1.15 -3.01 112.91 111.74 1n8r h THR 58 Ca 0.22 -2.07 -0.02 0.00 0.77 0.00 0.00 66.41 65.31 1n8r h THR 58 Cb 0.14 2.46 -0.04 0.00 -1.74 0.00 0.00 68.15 68.97 1n8r h THR 58 CO -0.06 0.62 0.44 0.24 0.37 0.00 0.00 175.52 177.13 1n8r h MET 59 N 0.07 1.19 -0.08 6.66 2.86 -0.88 -0.98 114.93 123.75 1n8r h MET 59 Ca -0.08 -0.15 0.02 0.00 -2.06 0.00 0.00 59.70 57.43 1n8r h MET 59 Cb 1.37 -0.23 -0.04 0.00 0.06 0.00 0.00 31.60 32.76 1n8r h MET 59 CO 0.14 0.89 -0.37 0.77 1.06 0.00 0.00 176.91 179.39 1n8r h SER 60 N 1.19 -1.18 -0.74 1.22 0.02 -0.90 -0.87 113.55 112.28 1n8r h SER 60 Ca 0.29 0.14 0.02 0.00 -0.84 0.00 0.00 61.79 61.41 1n8r h SER 60 Cb 0.06 0.46 -0.04 0.00 0.14 0.00 0.00 62.40 63.02 1n8r h SER 60 CO -0.04 -0.34 0.48 0.74 -1.14 0.00 0.00 176.83 176.53 1n8r h THR 61 N -0.41 1.13 -0.56 -2.27 2.02 -1.36 -1.94 112.91 109.52 1n8r h THR 61 Ca 0.02 -0.32 0.10 0.00 0.77 0.00 0.00 66.41 66.98 1n8r h THR 61 Cb 0.47 0.11 -0.08 0.00 -1.74 0.00 0.00 68.15 66.91 1n8r h THR 61 CO -0.29 0.17 0.13 0.40 0.37 0.00 0.00 175.52 176.30 1n8r h ILE 62 N 0.94 0.69 -0.96 3.11 2.04 -0.60 0.21 117.51 122.94 1n8r h ILE 62 Ca 0.29 -0.09 0.04 0.00 1.00 0.00 0.00 64.86 66.09 1n8r h ILE 62 Cb -0.02 0.39 -0.06 0.00 -0.74 0.00 0.00 36.82 36.39 1n8r h ILE 62 CO -0.09 0.05 0.63 1.23 0.00 0.00 0.00 178.15 179.96 1n8r h GLY 63 N 0.28 1.40 0.86 5.37 0.00 -0.45 -1.59 103.07 108.92 1n8r h GLY 63 Ca 0.29 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 1n8r h GLY 63 CO -0.36 0.40 -0.09 -0.84 0.00 0.00 0.00 176.54 175.66 1n8r h THR 64 N 1.20 0.88 -0.84 4.70 2.02 -0.23 -2.58 112.91 118.07 1n8r h THR 64 Ca 0.38 -0.31 0.10 0.00 0.77 0.00 0.00 66.41 67.36 1n8r h THR 64 Cb 0.02 1.07 -0.08 0.00 -1.74 0.00 0.00 68.15 67.43 1n8r h THR 64 CO -0.12 0.07 0.48 -0.26 0.37 0.00 0.00 175.52 176.06 1n8r h PHE 65 N -0.39 0.87 0.11 3.16 0.05 -0.41 0.17 116.94 120.51 1n8r h PHE 65 Ca -0.03 0.03 0.00 0.00 3.82 0.00 0.00 57.97 61.80 1n8r h PHE 65 Cb 0.30 -0.27 -0.02 0.00 2.00 0.00 0.00 35.95 37.97 1n8r h PHE 65 CO -0.02 0.35 -0.24 0.37 -0.18 0.00 0.00 178.31 178.59 1n8r h GLN 66 N 0.80 -0.37 -0.52 1.51 4.15 -1.06 -0.73 115.11 118.89 1n8r h GLN 66 Ca 0.41 0.02 0.13 0.00 0.77 0.00 0.00 58.65 59.98 1n8r h GLN 66 Cb 0.39 0.08 -0.03 0.00 0.21 0.00 0.00 27.48 28.14 1n8r h GLN 66 CO -0.26 -0.24 0.37 0.77 -1.93 0.00 0.00 178.83 177.54 1n8r h SER 67 N -0.38 0.11 -0.53 -0.69 0.02 -1.13 -0.91 113.55 110.04 1n8r h SER 67 Ca -0.01 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 1n8r h SER 67 Cb 0.36 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.86 1n8r h SER 67 CO -0.10 0.06 0.15 0.45 -1.14 0.00 0.00 176.83 176.25 1n8r h HIS 68 N 0.12 0.87 -0.07 3.45 3.86 -0.19 -0.35 115.15 122.85 1n8r h HIS 68 Ca 0.25 -0.10 -0.05 0.00 -1.16 0.00 0.00 60.37 59.32 1n8r h HIS 68 Cb 0.82 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 29.04 1n8r h HIS 68 CO -0.00 0.75 -0.14 0.82 0.86 0.00 0.00 177.93 180.22 1n8r h ILE 69 N 0.73 1.42 -0.57 2.45 2.04 0.10 -2.59 117.51 121.09 1n8r h ILE 69 Ca 0.17 -1.45 0.04 0.00 1.00 0.00 0.00 64.86 64.61 1n8r h ILE 69 Cb 0.31 2.21 -0.04 0.00 -0.74 0.00 0.00 36.82 38.55 1n8r h ILE 69 CO -0.00 0.41 0.33 -0.33 0.00 0.00 0.00 178.15 178.55 1n8r h GLU 70 N -0.27 0.62 -0.60 2.37 5.08 -1.21 0.83 114.58 121.40 1n8r h GLU 70 Ca 0.00 -0.04 0.13 0.00 -1.00 0.00 0.00 59.36 58.45 1n8r h GLU 70 Cb 0.73 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 1n8r h GLU 70 CO 0.03 0.41 0.41 -0.91 -1.00 0.00 0.00 179.01 177.95 1n8r h ASN 71 N 0.64 0.24 0.49 1.42 4.21 -1.02 0.89 115.58 122.46 1n8r h ASN 71 Ca 0.24 0.01 -0.19 0.00 1.21 0.00 0.00 56.30 57.57 1n8r h ASN 71 Cb 0.08 -0.04 -0.01 0.00 -1.12 0.00 0.00 38.32 37.23 1n8r h ASN 71 CO -0.13 0.14 -0.84 0.24 -1.29 0.00 0.00 177.43 175.55 1n8r h MET 72 N 0.27 0.25 -0.28 0.81 2.86 -0.48 -1.30 114.93 117.05 1n8r h MET 72 Ca 0.28 -0.25 -0.01 0.00 -2.06 0.00 0.00 59.70 57.66 1n8r h MET 72 Cb 0.75 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.47 1n8r h MET 72 CO -0.06 0.95 0.14 0.74 1.06 0.00 0.00 176.91 179.74 1n8r h PHE 73 N 0.15 0.40 -0.55 -0.22 0.05 0.49 -2.23 116.94 115.03 1n8r h PHE 73 Ca -0.04 -0.02 -0.04 0.00 3.82 0.00 0.00 57.97 61.69 1n8r h PHE 73 Cb 1.45 -0.12 -0.03 0.00 2.00 0.00 0.00 35.95 39.25 1n8r h PHE 73 CO 0.03 0.36 0.17 1.25 -0.18 0.00 0.00 178.31 179.94 1n8r h HIS 74 N 0.33 0.84 -0.36 -0.55 2.76 -1.19 -2.98 115.15 114.00 1n8r h HIS 74 Ca 0.10 -0.06 -0.08 0.00 -2.20 0.00 0.00 60.37 58.12 1n8r h HIS 74 Cb 0.10 -0.25 -0.02 0.00 1.55 0.00 0.00 27.41 28.79 1n8r h HIS 74 CO -0.02 0.68 -0.12 0.78 -1.30 0.00 0.00 177.93 177.95 1n8r h GLY 75 N 0.96 0.67 1.22 5.26 0.00 -0.80 0.29 103.07 110.67 1n8r h GLY 75 Ca 0.18 -0.49 0.00 0.00 0.00 0.00 0.00 47.33 47.03 1n8r h GLY 75 CO -0.01 0.45 -0.15 3.33 0.00 0.00 0.00 176.54 180.16 1n8r n VAL 76 N -4.18 0.00 0.00 4.60 0.24 -0.88 -3.42 118.33 114.69 1n8r n VAL 76 Ca 0.01 -0.03 0.00 0.00 -2.04 0.00 0.00 64.34 62.28 1n8r n VAL 76 Cb 0.34 -0.14 0.00 0.00 -1.47 0.00 0.00 33.84 32.57 1n8r n VAL 76 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1n8r n THR 77 N -1.21 0.00 0.12 3.34 -2.24 -1.05 -0.19 114.28 113.05 1n8r n THR 77 Ca 0.11 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.92 1n8r n THR 77 Cb 0.30 -0.19 0.41 0.00 -2.10 0.00 0.00 70.33 68.76 1n8r n THR 77 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1n8r h GLU 78 N 0.00 0.24 0.00 -0.78 5.08 -1.64 -3.41 114.58 114.06 1n8r h GLU 78 Ca 0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1n8r h GLU 78 Cb 0.00 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.21 1n8r h GLU 78 CO 0.00 0.35 0.00 0.41 -1.00 0.00 0.00 179.01 178.77 1n8r n GLY 79 N -0.96 -0.87 3.16 -3.84 0.00 0.95 -4.97 105.19 98.66 1n8r n GLY 79 Ca -0.01 -1.68 -0.25 0.00 0.00 0.00 0.00 46.02 44.08 1n8r n GLY 79 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1n8r s TRP 80 N -1.24 1.64 -0.04 1.61 0.52 0.02 -4.68 118.94 116.77 1n8r s TRP 80 Ca 0.00 -0.36 -0.02 0.00 0.02 0.00 0.00 56.10 55.75 1n8r s TRP 80 Cb 0.00 -1.07 0.02 0.00 -1.15 0.00 0.00 33.47 31.28 1n8r s TRP 80 CO 0.00 -0.07 0.08 -1.21 0.02 0.00 0.00 176.95 175.77 1n8r s GLU 81 N -0.29 0.04 0.02 4.98 2.02 -1.26 -1.17 118.70 123.05 1n8r s GLU 81 Ca 0.04 0.21 0.06 0.00 0.02 0.00 0.00 54.97 55.30 1n8r s GLU 81 Cb -0.08 -0.12 -0.03 0.00 0.10 0.00 0.00 34.13 34.00 1n8r s GLU 81 CO 0.00 -0.11 -0.17 0.71 0.02 0.00 0.00 175.26 175.72 1n8r s TYR 82 N 0.71 2.60 -0.13 1.61 1.51 0.21 -3.74 117.35 120.12 1n8r s TYR 82 Ca -0.06 -0.23 -0.00 0.00 -1.01 0.00 0.00 57.07 55.77 1n8r s TYR 82 Cb -0.08 -1.51 -0.01 0.00 -0.11 0.00 0.00 41.96 40.25 1n8r s TYR 82 CO -0.03 0.24 -0.13 0.20 -1.11 0.00 0.00 175.55 174.72 1n8r s GLY 83 N -1.26 1.54 0.29 0.71 0.00 -0.69 -0.94 107.32 106.98 1n8r s GLY 83 Ca 0.14 -0.90 0.11 0.00 0.00 0.00 0.00 44.72 44.07 1n8r s GLY 83 CO 0.04 -0.16 -0.16 1.06 0.00 0.00 0.00 173.10 173.89 1n8r s MET 84 N 0.40 1.77 -0.07 2.90 -1.94 0.99 0.30 119.30 123.65 1n8r s MET 84 Ca -0.10 -1.77 0.00 0.00 -1.71 0.00 0.00 55.69 52.11 1n8r s MET 84 Cb -0.16 -1.79 0.02 0.00 2.01 0.00 0.00 34.83 34.91 1n8r s MET 84 CO 0.05 0.29 -0.04 -1.21 -0.01 0.00 0.00 175.02 174.10 1n8r s GLU 85 N -3.55 0.96 0.21 2.03 2.02 -0.26 -0.94 118.70 119.18 1n8r s GLU 85 Ca 0.31 -0.09 -0.26 0.00 0.02 0.00 0.00 54.97 54.95 1n8r s GLU 85 Cb -0.03 -1.08 -0.09 0.00 0.10 0.00 0.00 34.13 33.03 1n8r s GLU 85 CO 0.16 -0.18 0.83 0.54 0.02 0.00 0.00 175.26 176.63 1n8r s VAL 86 N 1.40 4.31 -0.10 2.63 0.11 -0.87 -1.53 120.40 126.35 1n8r s VAL 86 Ca -0.03 1.75 -0.07 0.00 -2.93 0.00 0.00 61.98 60.70 1n8r s VAL 86 Cb -0.13 -4.12 0.03 0.00 -1.53 0.00 0.00 36.38 30.63 1n8r s VAL 86 CO -0.03 0.42 0.24 0.12 -3.33 0.00 0.00 175.10 172.52 1n8r s PHE 87 N -1.28 -0.29 0.03 1.54 5.36 -0.50 -4.91 117.98 117.92 1n8r s PHE 87 Ca 0.40 0.71 -0.05 0.00 -0.96 0.00 0.00 56.93 57.03 1n8r s PHE 87 Cb -0.22 0.07 -0.01 0.00 -0.34 0.00 0.00 43.02 42.52 1n8r s PHE 87 CO 0.26 -0.18 0.09 1.52 -1.46 0.00 0.00 175.22 175.45 1n8r s TYR 88 N 0.71 0.18 -0.22 10.12 -0.85 -1.26 -0.55 117.35 125.48 1n8r s TYR 88 Ca -0.05 -0.43 0.04 0.00 -0.52 0.00 0.00 57.07 56.11 1n8r s TYR 88 Cb -0.06 -0.13 -0.16 0.00 0.38 0.00 0.00 41.96 41.99 1n8r s TYR 88 CO -0.04 -0.33 -0.16 -1.13 -1.52 0.00 0.00 175.55 172.37 1n8r n SER 89 N 1.02 2.00 0.00 -0.18 3.41 -1.26 -4.91 113.62 113.70 1n8r n SER 89 Ca -0.20 -0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.30 1n8r n SER 89 Cb 0.57 -0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 1n8r n SER 89 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1n8r n HIS 90 N -3.08 0.00 -3.36 7.33 -0.00 -1.26 -5.02 115.22 109.83 1n8r n HIS 90 Ca -0.38 0.00 -0.39 0.00 -0.00 0.00 0.00 57.72 56.95 1n8r n HIS 90 Cb 0.95 0.08 -0.08 0.00 -0.00 0.00 0.00 29.99 30.94 1n8r n HIS 90 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 1n8r s PHE 91 N -1.96 3.30 -0.39 1.57 0.40 -1.26 -5.00 117.98 114.63 1n8r s PHE 91 Ca 0.00 0.53 -0.27 0.00 -0.60 0.00 0.00 56.93 56.58 1n8r s PHE 91 Cb 0.00 -2.58 -0.05 0.00 0.51 0.00 0.00 43.02 40.90 1n8r s PHE 91 CO 0.00 -0.15 2.18 -2.14 0.70 0.00 0.00 175.22 175.80 1n8r s PRO 92 N 1.82 2.72 0.30 0.24 0.02 -1.26 -4.75 135.00 134.09 1n8r s PRO 92 Ca 0.18 1.52 -0.29 0.00 0.02 0.00 0.00 61.00 62.43 1n8r s PRO 92 Cb -0.15 -4.43 -0.09 0.00 0.02 0.00 0.00 34.50 29.85 1n8r s PRO 92 CO 0.09 -2.58 1.12 1.41 -0.33 0.00 0.00 177.00 176.71 1n8r s MET 93 N 7.03 4.53 -0.27 5.54 1.75 -1.26 -4.82 119.30 131.80 1n8r s MET 93 Ca 0.92 1.82 0.02 0.00 -1.25 0.00 0.00 55.69 57.20 1n8r s MET 93 Cb -0.23 -3.08 0.07 0.00 2.84 0.00 0.00 34.83 34.43 1n8r s MET 93 CO 0.30 0.10 -0.06 -0.65 -0.65 0.00 0.00 175.02 174.06 1n8r s GLN 94 N -1.64 1.92 -0.34 4.11 -0.21 -0.52 -4.97 119.66 118.00 1n8r s GLN 94 Ca 0.47 -1.34 -0.12 0.00 0.02 0.00 0.00 55.36 54.39 1n8r s GLN 94 Cb -0.32 -2.84 -0.01 0.00 1.00 0.00 0.00 33.01 30.85 1n8r s GLN 94 CO 0.41 -0.65 0.22 0.08 -2.12 0.00 0.00 175.29 173.23 1n8r s VAL 95 N 1.16 5.03 0.08 1.09 1.01 -1.26 0.09 120.40 127.60 1n8r s VAL 95 Ca -0.04 -0.37 0.06 0.00 0.00 0.00 0.00 61.98 61.62 1n8r s VAL 95 Cb -0.19 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 1n8r s VAL 95 CO -0.06 -0.04 -0.15 0.20 0.00 0.00 0.00 175.10 175.05 1n8r s ASN 96 N 1.67 1.86 -0.39 3.32 -0.87 0.12 -4.97 114.94 115.69 1n8r s ASN 96 Ca 0.05 -0.66 -0.15 0.00 -1.57 0.00 0.00 52.86 50.53 1n8r s ASN 96 Cb -0.18 -0.07 0.01 0.00 -0.02 0.00 0.00 41.25 41.00 1n8r s ASN 96 CO 0.09 -0.07 0.34 -0.69 -2.57 0.00 0.00 177.10 174.20 1n8r s VAL 97 N -1.40 5.20 -0.26 1.60 1.01 -1.26 0.16 120.40 125.45 1n8r s VAL 97 Ca 0.01 -0.39 -0.00 0.00 0.00 0.00 0.00 61.98 61.60 1n8r s VAL 97 Cb -0.09 -3.91 0.08 0.00 0.00 0.00 0.00 36.38 32.45 1n8r s VAL 97 CO 0.03 -0.26 0.02 -1.61 0.00 0.00 0.00 175.10 173.27 1n8r s GLU 98 N 1.87 1.15 5.83 2.72 2.02 -0.72 -4.97 118.70 126.60 1n8r s GLU 98 Ca 0.08 -0.98 0.00 0.00 0.02 0.00 0.00 54.97 54.09 1n8r s GLU 98 Cb -0.18 -2.39 0.00 0.00 0.10 0.00 0.00 34.13 31.67 1n8r s GLU 98 CO 0.11 -0.75 0.00 0.41 0.02 0.00 0.00 175.26 175.05 1n8r n GLY 99 N 4.76 1.01 1.58 -1.39 0.00 -1.26 -3.43 105.19 106.45 1n8r n GLY 99 Ca -0.07 -0.71 -0.14 0.00 0.00 0.00 0.00 46.02 45.10 1n8r n GLY 99 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1n8r n ASP 100 N 6.69 3.92 -3.68 1.61 8.00 -1.26 -4.96 116.55 126.87 1n8r n ASP 100 Ca 0.00 -3.79 -0.13 0.00 0.71 0.00 0.00 54.79 51.58 1n8r n ASP 100 Cb 0.00 -0.60 -0.09 0.00 -0.02 0.00 0.00 41.12 40.41 1n8r n ASP 100 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 1n8r s GLU 101 N -3.44 0.64 0.04 -1.24 -1.05 -1.22 -0.34 118.70 112.08 1n8r s GLU 101 Ca 0.49 0.81 -0.24 0.00 -0.15 0.00 0.00 54.97 55.88 1n8r s GLU 101 Cb 0.42 0.28 -0.05 0.00 -0.44 0.00 0.00 34.13 34.34 1n8r s GLU 101 CO 0.00 -0.09 0.75 0.54 0.95 0.00 0.00 175.26 177.41 1n8r s VAL 102 N 0.45 4.75 0.03 1.83 0.11 -1.05 -1.75 120.40 124.78 1n8r s VAL 102 Ca -0.01 1.59 0.05 0.00 -2.93 0.00 0.00 61.98 60.67 1n8r s VAL 102 Cb -0.04 -4.09 -0.03 0.00 -1.53 0.00 0.00 36.38 30.68 1n8r s VAL 102 CO -0.01 0.37 -0.11 -0.69 -3.33 0.00 0.00 175.10 171.33 1n8r s VAL 103 N -0.06 3.33 -0.09 2.04 1.01 0.42 -2.74 120.40 124.31 1n8r s VAL 103 Ca 0.38 -0.98 0.03 0.00 0.00 0.00 0.00 61.98 61.40 1n8r s VAL 103 Cb -0.20 -2.45 0.01 0.00 0.00 0.00 0.00 36.38 33.74 1n8r s VAL 103 CO 0.22 0.33 -0.17 -0.63 0.00 0.00 0.00 175.10 174.86 1n8r s ILE 104 N -1.01 1.54 0.11 2.22 1.01 0.15 0.13 121.20 125.34 1n8r s ILE 104 Ca 0.17 -0.70 0.10 0.00 0.00 0.00 0.00 60.65 60.23 1n8r s ILE 104 Cb -0.11 -1.37 -0.04 0.00 0.01 0.00 0.00 42.46 40.95 1n8r s ILE 104 CO 0.08 0.45 -0.27 -1.61 0.00 0.00 0.00 174.94 173.59 1n8r s GLU 105 N 0.67 1.52 -1.18 2.79 2.02 0.11 -0.90 118.70 123.72 1n8r s GLU 105 Ca -0.13 -1.28 -0.01 0.00 0.02 0.00 0.00 54.97 53.57 1n8r s GLU 105 Cb -0.16 -1.92 0.00 0.00 0.10 0.00 0.00 34.13 32.15 1n8r s GLU 105 CO 0.03 0.47 0.17 -1.71 0.02 0.00 0.00 175.26 174.25 1n8r n ASN 106 N 1.16 -4.57 -4.70 -0.19 4.05 -1.23 -1.44 115.26 108.34 1n8r n ASN 106 Ca -0.18 -0.09 -0.42 0.00 0.45 0.00 0.00 54.58 54.34 1n8r n ASN 106 Cb 0.53 -3.61 -0.03 0.00 1.23 0.00 0.00 39.78 37.90 1n8r n ASN 106 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 177.26 174.33 1n8r s PHE 107 N -2.83 2.82 -0.69 1.20 5.36 -1.26 -1.66 117.98 120.91 1n8r s PHE 107 Ca 0.09 0.56 0.00 0.00 -0.96 0.00 0.00 56.93 56.61 1n8r s PHE 107 Cb -0.04 -3.90 0.00 0.00 -0.34 0.00 0.00 43.02 38.75 1n8r s PHE 107 CO 0.11 -3.41 0.00 1.28 -1.46 0.00 0.00 175.22 171.73 1n8r n LEU 108 N 4.70 -0.73 0.00 6.12 4.32 -1.26 1.00 117.00 131.15 1n8r n LEU 108 Ca 0.14 0.29 0.00 0.00 -0.02 0.00 0.00 56.01 56.43 1n8r n LEU 108 Cb 0.40 -1.71 0.00 0.00 -1.62 0.00 0.00 43.42 40.49 1n8r n LEU 108 CO 0.61 -0.11 0.00 0.61 -1.22 0.00 0.00 177.39 177.28 1n8r n GLY 109 N -0.65 1.12 3.55 -0.72 0.00 -0.67 -5.01 105.19 102.81 1n8r n GLY 109 Ca -0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.54 1n8r n GLY 109 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1n8r n GLU 110 N -2.00 0.81 -0.01 1.61 1.02 0.28 -4.88 120.64 117.47 1n8r n GLU 110 Ca 0.00 0.31 -0.16 0.00 -0.02 0.00 0.00 57.16 57.29 1n8r n GLU 110 Cb 0.00 -1.92 -0.14 0.00 -0.02 0.00 0.00 31.44 29.36 1n8r n GLU 110 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1n8r n LYS 111 N -0.32 0.70 -2.94 3.49 5.02 -1.26 -3.52 118.16 119.33 1n8r n LYS 111 Ca 0.12 0.27 -0.41 0.00 -2.02 0.00 0.00 58.31 56.27 1n8r n LYS 111 Cb 0.45 -1.74 -0.04 0.00 -0.02 0.00 0.00 35.03 33.68 1n8r n LYS 111 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1n8r s ALA 112 N -2.57 3.42 0.21 7.82 0.00 -1.26 -4.85 121.76 124.52 1n8r s ALA 112 Ca -0.15 0.10 -0.30 0.00 0.00 0.00 0.00 51.96 51.61 1n8r s ALA 112 Cb 0.07 -3.13 -0.09 0.00 0.00 0.00 0.00 23.12 19.97 1n8r s ALA 112 CO 0.79 -0.41 1.35 -2.14 0.00 0.00 0.00 175.76 175.35 1n8r s PRO 113 N 1.55 4.35 -0.09 0.00 0.02 -1.26 -4.76 135.00 134.80 1n8r s PRO 113 Ca 0.39 2.13 -0.10 0.00 0.02 0.00 0.00 61.00 63.44 1n8r s PRO 113 Cb -0.17 -3.17 -0.05 0.00 0.02 0.00 0.00 34.50 31.13 1n8r s PRO 113 CO 0.16 -0.32 0.23 1.03 -0.33 0.00 0.00 177.00 177.77 1n8r s ARG 114 N -0.09 3.68 0.17 5.54 0.52 -0.08 -4.94 118.95 123.75 1n8r s ARG 114 Ca 0.58 0.04 -0.08 0.00 -0.52 0.00 0.00 55.73 55.75 1n8r s ARG 114 Cb -0.38 -3.23 -0.01 0.00 0.52 0.00 0.00 34.95 31.85 1n8r s ARG 114 CO 0.39 0.69 0.28 -0.98 0.02 0.00 0.00 175.30 175.70 1n8r s ARG 115 N -0.86 1.18 -0.11 3.54 1.70 -1.26 0.30 118.95 123.44 1n8r s ARG 115 Ca 0.17 -1.22 -0.17 0.00 -0.47 0.00 0.00 55.73 54.04 1n8r s ARG 115 Cb -0.13 0.37 0.04 0.00 -0.57 0.00 0.00 34.95 34.66 1n8r s ARG 115 CO 0.06 -0.43 0.44 -0.08 -1.08 0.00 0.00 175.30 174.21 1n8r s THR 116 N -3.99 0.02 -0.00 4.99 -1.32 -1.11 -5.04 115.64 109.19 1n8r s THR 116 Ca 0.19 -0.15 -0.19 0.00 -1.21 0.00 0.00 61.69 60.34 1n8r s THR 116 Cb 0.03 -0.68 -0.06 0.00 -1.51 0.00 0.00 72.50 70.29 1n8r s THR 116 CO 0.01 -0.08 0.53 -0.89 -2.21 0.00 0.00 174.62 171.99 1n8r s THR 117 N -0.43 4.94 0.26 5.08 2.01 -1.26 -2.52 115.64 123.73 1n8r s THR 117 Ca -0.06 1.11 -0.29 0.00 0.31 0.00 0.00 61.69 62.76 1n8r s THR 117 Cb -0.03 -3.86 -0.09 0.00 0.01 0.00 0.00 72.50 68.52 1n8r s THR 117 CO 0.03 0.47 1.19 -0.63 -0.69 0.00 0.00 174.62 174.98 1n8r s ILE 118 N -0.46 3.30 -0.03 1.82 1.01 0.54 -4.96 121.20 122.43 1n8r s ILE 118 Ca 0.28 1.24 -0.21 0.00 0.00 0.00 0.00 60.65 61.96 1n8r s ILE 118 Cb -0.18 -3.79 -0.05 0.00 0.01 0.00 0.00 42.46 38.46 1n8r s ILE 118 CO 0.16 0.27 0.60 -1.00 0.00 0.00 0.00 174.94 174.97 1n8r s HIS 119 N -0.81 3.64 0.00 3.97 3.76 -1.26 -4.93 115.29 119.65 1n8r s HIS 119 Ca 0.48 1.17 0.00 0.00 -0.15 0.00 0.00 55.06 56.56 1n8r s HIS 119 Cb -0.34 -2.65 0.00 0.00 1.11 0.00 0.00 32.58 30.70 1n8r s HIS 119 CO 0.43 0.27 0.00 0.41 -0.85 0.00 0.00 174.74 175.00 1n8r n GLY 120 N 2.70 1.37 1.81 -2.22 0.00 -1.26 -2.86 105.19 104.73 1n8r n GLY 120 Ca -0.06 -0.50 -0.11 0.00 0.00 0.00 0.00 46.02 45.35 1n8r n GLY 120 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1n8r n ASP 121 N -2.41 6.00 -4.73 1.61 8.00 -1.26 -4.92 116.55 118.84 1n8r n ASP 121 Ca 0.00 -2.81 -0.39 0.00 0.71 0.00 0.00 54.79 52.30 1n8r n ASP 121 Cb 0.00 -1.12 -0.05 0.00 -0.02 0.00 0.00 41.12 39.93 1n8r n ASP 121 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1n8r s THR 122 N -1.28 5.04 -0.26 -3.53 2.01 -1.14 -4.68 115.64 111.81 1n8r s THR 122 Ca 0.25 1.24 -0.10 0.00 0.31 0.00 0.00 61.69 63.39 1n8r s THR 122 Cb 0.18 -3.94 -0.05 0.00 0.01 0.00 0.00 72.50 68.70 1n8r s THR 122 CO -0.02 0.33 0.16 -1.81 -0.69 0.00 0.00 174.62 172.59 1n8r s ASP 123 N 0.43 5.96 -0.63 3.53 1.01 0.84 -4.90 116.67 122.91 1n8r s ASP 123 Ca 0.32 0.02 -0.04 0.00 0.71 0.00 0.00 52.55 53.56 1n8r s ASP 123 Cb -0.17 -2.09 0.16 0.00 1.01 0.00 0.00 42.92 41.83 1n8r s ASP 123 CO 0.16 0.00 0.46 -0.69 0.21 0.00 0.00 175.17 175.30 1n8r s VAL 124 N 1.44 3.89 -0.22 -1.27 1.01 -1.26 -1.08 120.40 122.91 1n8r s VAL 124 Ca 0.07 -2.82 -0.17 0.00 0.00 0.00 0.00 61.98 59.05 1n8r s VAL 124 Cb -0.15 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.67 1n8r s VAL 124 CO 0.08 -0.88 0.46 -1.61 0.00 0.00 0.00 175.10 173.15 1n8r s GLU 125 N 0.07 4.14 -0.10 2.72 2.02 -0.93 -4.91 118.70 121.71 1n8r s GLU 125 Ca 0.16 0.28 0.00 0.00 0.02 0.00 0.00 54.97 55.44 1n8r s GLU 125 Cb -0.20 -3.59 -0.02 0.00 0.10 0.00 0.00 34.13 30.42 1n8r s GLU 125 CO -0.04 -0.18 -0.10 -1.50 0.02 0.00 0.00 175.26 173.47 1n8r s ILE 126 N 1.74 3.40 -0.24 -1.63 2.07 -1.26 -1.10 121.20 124.18 1n8r s ILE 126 Ca 0.21 -0.57 -0.04 0.00 -1.41 0.00 0.00 60.65 58.84 1n8r s ILE 126 Cb -0.15 -2.41 0.09 0.00 0.13 0.00 0.00 42.46 40.12 1n8r s ILE 126 CO 0.09 0.56 0.13 -0.62 -1.91 0.00 0.00 174.94 173.19 1n8r s ASP 127 N -0.26 2.93 1.81 4.50 -1.08 0.01 -5.02 116.67 119.55 1n8r s ASP 127 Ca 0.03 -0.98 0.00 0.00 -0.52 0.00 0.00 52.55 51.08 1n8r s ASP 127 Cb -0.13 -0.23 0.00 0.00 -1.46 0.00 0.00 42.92 41.10 1n8r s ASP 127 CO 0.03 -0.40 0.00 0.61 0.52 0.00 0.00 175.17 175.93 1n8r n GLY 128 N 5.27 3.06 1.22 2.66 0.00 -1.26 -1.70 105.19 114.44 1n8r n GLY 128 Ca -0.06 -0.21 0.04 0.00 0.00 0.00 0.00 46.02 45.80 1n8r n GLY 128 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1n8r n GLU 129 N 13.68 3.04 -4.96 1.61 -0.58 -1.26 -4.85 120.64 127.31 1n8r n GLU 129 Ca 0.00 -1.77 -0.27 0.00 -0.42 0.00 0.00 57.16 54.70 1n8r n GLU 129 Cb 0.00 -1.84 -0.15 0.00 -0.57 0.00 0.00 31.44 28.88 1n8r n GLU 129 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1n8r s GLU 130 N -1.92 1.63 0.06 3.49 2.02 -0.69 -2.06 118.70 121.25 1n8r s GLU 130 Ca 0.31 -0.76 0.06 0.00 0.02 0.00 0.00 54.97 54.60 1n8r s GLU 130 Cb 0.22 -1.60 -0.03 0.00 0.10 0.00 0.00 34.13 32.83 1n8r s GLU 130 CO 0.11 0.44 -0.17 -0.51 0.02 0.00 0.00 175.26 175.15 1n8r s LEU 131 N -0.56 2.23 -0.21 1.80 1.43 -0.11 -0.81 118.68 122.44 1n8r s LEU 131 Ca 0.08 -0.57 -0.03 0.00 -1.03 0.00 0.00 54.13 52.58 1n8r s LEU 131 Cb -0.08 -0.70 0.07 0.00 0.03 0.00 0.00 46.19 45.51 1n8r s LEU 131 CO -0.00 0.03 0.06 0.28 0.23 0.00 0.00 176.35 176.94 1n8r s THR 132 N -1.03 0.37 -0.19 5.49 -1.32 -0.26 -0.01 115.64 118.70 1n8r s THR 132 Ca 0.03 -0.59 -0.17 0.00 -1.21 0.00 0.00 61.69 59.75 1n8r s THR 132 Cb -0.09 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.86 1n8r s THR 132 CO 0.02 -0.33 0.45 -0.69 -2.21 0.00 0.00 174.62 171.87 1n8r s VAL 133 N 1.92 5.17 0.03 5.08 1.01 -0.12 -2.18 120.40 131.30 1n8r s VAL 133 Ca 0.02 0.84 -0.11 0.00 0.00 0.00 0.00 61.98 62.73 1n8r s VAL 133 Cb -0.17 -3.78 0.01 0.00 0.00 0.00 0.00 36.38 32.44 1n8r s VAL 133 CO -0.13 0.24 0.23 -0.94 0.00 0.00 0.00 175.10 174.50 1n8r s SER 134 N 0.99 -0.03 0.00 3.32 1.04 -0.24 0.64 113.70 119.42 1n8r s SER 134 Ca 0.22 -0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.42 1n8r s SER 134 Cb -0.15 0.29 0.00 0.00 0.10 0.00 0.00 66.02 66.26 1n8r s SER 134 CO 0.09 -0.52 0.00 0.61 0.98 0.00 0.00 173.24 174.40 1n8r n GLY 135 N 0.88 -1.50 0.10 7.32 0.00 -0.31 -0.11 105.19 111.57 1n8r n GLY 135 Ca -0.20 -1.07 0.07 0.00 0.00 0.00 0.00 46.02 44.82 1n8r n GLY 135 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1n8r n PRO 136 N -0.22 0.62 -3.21 1.61 -0.04 -1.26 -0.80 135.00 131.70 1n8r n PRO 136 Ca 0.00 0.12 -0.46 0.00 -0.04 0.00 0.00 63.50 63.12 1n8r n PRO 136 Cb 0.00 -1.78 -0.04 0.00 -0.04 0.00 0.00 33.50 31.65 1n8r n PRO 136 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1n8r s ASP 137 N -5.41 6.41 0.42 3.54 -1.08 -1.26 -4.28 116.67 115.01 1n8r s ASP 137 Ca -0.02 -1.98 0.19 0.00 -0.52 0.00 0.00 52.55 50.21 1n8r s ASP 137 Cb 0.10 -2.26 1.12 0.00 -1.46 0.00 0.00 42.92 40.41 1n8r s ASP 137 CO 0.81 -0.88 1.84 -0.29 0.52 0.00 0.00 175.17 177.17 1n8r h ILE 138 N 5.55 0.63 -0.24 4.11 2.10 -1.88 -0.30 117.51 127.50 1n8r h ILE 138 Ca -0.12 -0.13 0.04 0.00 1.08 0.00 0.00 64.86 65.73 1n8r h ILE 138 Cb 1.07 0.22 -0.03 0.00 -1.09 0.00 0.00 36.82 36.99 1n8r h ILE 138 CO 0.98 0.07 0.02 -0.33 -1.08 0.00 0.00 178.15 177.81 1n8r h GLU 139 N 0.38 0.10 0.09 2.19 4.39 -1.99 0.81 114.58 120.55 1n8r h GLU 139 Ca 0.50 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 60.19 1n8r h GLU 139 Cb 1.29 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.92 1n8r h GLU 139 CO -0.19 0.07 -0.05 0.00 -1.16 0.00 0.00 179.01 177.68 1n8r h ALA 140 N 1.19 -0.13 -0.25 3.43 0.00 -1.42 -2.82 119.26 119.26 1n8r h ALA 140 Ca 0.11 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.88 1n8r h ALA 140 Cb 0.13 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1n8r h ALA 140 CO -0.17 -0.40 0.01 0.28 0.00 0.00 0.00 179.25 178.98 1n8r h VAL 141 N -0.48 0.83 -0.72 0.00 2.07 -1.25 0.12 116.25 116.82 1n8r h VAL 141 Ca -0.01 -0.03 0.05 0.00 0.82 0.00 0.00 66.70 67.52 1n8r h VAL 141 Cb 0.40 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 1n8r h VAL 141 CO 0.02 0.02 0.48 1.23 0.02 0.00 0.00 177.57 179.34 1n8r h GLY 142 N 0.09 0.98 0.95 2.17 0.00 -0.88 -1.46 103.07 104.92 1n8r h GLY 142 Ca 0.12 -0.32 -0.18 0.00 0.00 0.00 0.00 47.33 46.94 1n8r h GLY 142 CO -0.19 0.26 -0.69 1.46 0.00 0.00 0.00 176.54 177.38 1n8r h GLN 143 N 0.81 0.56 -0.78 4.80 1.08 -1.16 -1.39 115.11 119.03 1n8r h GLN 143 Ca 0.30 -0.53 0.06 0.00 -1.45 0.00 0.00 58.65 57.04 1n8r h GLN 143 Cb 0.17 0.13 -0.06 0.00 -0.05 0.00 0.00 27.48 27.67 1n8r h GLN 143 CO -0.09 1.15 0.46 1.15 -0.95 0.00 0.00 178.83 180.55 1n8r h THR 144 N 0.15 1.00 0.20 -0.54 2.02 -0.59 1.41 112.91 116.56 1n8r h THR 144 Ca -0.07 -0.29 -0.01 0.00 0.77 0.00 0.00 66.41 66.81 1n8r h THR 144 Cb 1.35 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.85 1n8r h THR 144 CO 0.14 0.15 -0.10 0.00 0.37 0.00 0.00 175.52 176.08 1n8r h ALA 145 N 1.39 -0.27 -0.04 6.16 0.00 -1.29 -2.23 119.26 122.97 1n8r h ALA 145 Ca 0.35 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.13 1n8r h ALA 145 Cb 0.19 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.03 1n8r h ALA 145 CO -0.18 -0.52 -0.41 0.00 0.00 0.00 0.00 179.25 178.14 1n8r h ALA 146 N 0.18 -0.62 -0.94 0.00 0.00 -0.38 -1.44 119.26 116.06 1n8r h ALA 146 Ca -0.03 -0.03 0.20 0.00 0.00 0.00 0.00 54.91 55.05 1n8r h ALA 146 Cb 0.41 0.74 -0.11 0.00 0.00 0.00 0.00 17.79 18.82 1n8r h ALA 146 CO 0.05 -0.93 0.51 -0.44 0.00 0.00 0.00 179.25 178.44 1n8r h ASP 147 N -0.54 0.59 0.51 0.00 3.32 0.19 0.33 116.42 120.83 1n8r h ASP 147 Ca 0.06 0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.21 1n8r h ASP 147 Cb 0.63 0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.21 1n8r h ASP 147 CO -0.34 0.16 -0.29 0.40 -1.72 0.00 0.00 179.24 177.45 1n8r h ILE 148 N 0.60 0.41 -0.41 0.35 2.04 -0.66 0.37 117.51 120.21 1n8r h ILE 148 Ca 0.56 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.47 1n8r h ILE 148 Cb 0.95 0.41 -0.04 0.00 -0.74 0.00 0.00 36.82 37.39 1n8r h ILE 148 CO -0.43 0.00 0.16 -0.08 0.00 0.00 0.00 178.15 177.79 1n8r h GLU 149 N -0.75 0.32 -0.17 2.37 4.81 -0.13 -0.68 114.58 120.35 1n8r h GLU 149 Ca -0.06 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1n8r h GLU 149 Cb 0.60 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 1n8r h GLU 149 CO 0.08 0.21 0.11 1.96 -0.73 0.00 0.00 179.01 180.64 1n8r h GLN 150 N 0.33 0.19 0.00 1.92 1.08 -0.08 -2.43 115.11 116.12 1n8r h GLN 150 Ca 0.19 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.38 1n8r h GLN 150 Cb 0.16 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.55 1n8r h GLN 150 CO -0.18 0.13 0.21 1.25 -0.95 0.00 0.00 178.83 179.28 1n8r h LEU 151 N 0.20 0.00 -3.30 1.46 5.85 0.13 0.18 115.31 119.83 1n8r h LEU 151 Ca 0.06 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.73 1n8r h LEU 151 Cb 0.02 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 1n8r h LEU 151 CO -0.01 0.00 0.00 0.35 -0.34 0.00 0.00 178.44 178.44 1n8r n THR 152 N -2.74 2.37 -1.93 1.05 -2.24 -0.91 -4.95 114.28 104.92 1n8r n THR 152 Ca -0.02 -2.06 -0.39 0.00 -2.27 0.00 0.00 64.05 59.31 1n8r n THR 152 Cb 0.25 -0.28 0.01 0.00 -2.10 0.00 0.00 70.33 68.22 1n8r n THR 152 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1n8r s ARG 153 N -2.93 3.64 -0.04 -0.78 3.52 0.62 -4.87 118.95 118.11 1n8r s ARG 153 Ca 0.43 2.21 -0.01 0.00 -0.13 0.00 0.00 55.73 58.23 1n8r s ARG 153 Cb 0.36 -2.55 0.03 0.00 -1.56 0.00 0.00 34.95 31.22 1n8r s ARG 153 CO 0.07 -0.78 0.03 -1.50 -0.81 0.00 0.00 175.30 172.31 1n8r s ILE 154 N -1.29 0.04 -0.07 4.11 2.07 -1.26 -5.02 121.20 119.78 1n8r s ILE 154 Ca 0.63 0.25 0.07 0.00 -1.41 0.00 0.00 60.65 60.19 1n8r s ILE 154 Cb -0.39 -0.22 -0.10 0.00 0.13 0.00 0.00 42.46 41.88 1n8r s ILE 154 CO 0.49 0.16 0.05 0.59 -1.91 0.00 0.00 174.94 174.32 1n8r n ASN 155 N 4.74 3.06 0.01 4.50 3.02 -1.26 -4.70 115.26 124.63 1n8r n ASN 155 Ca -0.15 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.29 1n8r n ASN 155 Cb 0.50 0.80 -0.05 0.00 -0.61 0.00 0.00 39.78 40.42 1n8r n ASN 155 CO 0.00 0.00 0.00 -2.24 -2.62 0.00 0.00 177.26 172.40 1n8r h ASP 156 N 0.00 -0.12 -1.99 6.41 2.03 -2.05 -3.46 116.42 117.24 1n8r h ASP 156 Ca -0.18 0.03 -0.58 0.00 -0.73 0.00 0.00 57.03 55.57 1n8r h ASP 156 Cb 1.32 0.07 -0.10 0.00 -0.83 0.00 0.00 39.33 39.79 1n8r h ASP 156 CO 0.01 -0.05 -0.62 -0.54 -1.03 0.00 0.00 179.24 177.00 1n8r s LYS 157 N -6.19 2.12 -0.28 4.15 1.02 -1.26 -5.07 119.74 114.23 1n8r s LYS 157 Ca -0.13 -1.67 -0.33 0.00 0.02 0.00 0.00 55.97 53.86 1n8r s LYS 157 Cb 0.08 -1.99 -0.10 0.00 -0.52 0.00 0.00 37.83 35.31 1n8r s LYS 157 CO 0.67 0.19 2.16 -3.47 -0.92 0.00 0.00 175.35 173.98 1n8r n ASP 158 N -0.94 2.62 0.22 2.83 -0.08 -1.26 -4.85 116.55 115.09 1n8r n ASP 158 Ca -0.04 0.42 0.06 0.00 -1.51 0.00 0.00 54.79 53.71 1n8r n ASP 158 Cb 0.61 -1.36 0.50 0.00 2.34 0.00 0.00 41.12 43.21 1n8r n ASP 158 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 1n8r h VAL 159 N 6.90 1.10 0.00 5.18 2.07 -1.89 -1.36 116.25 128.25 1n8r h VAL 159 Ca -0.34 -0.73 -0.02 0.00 0.82 0.00 0.00 66.70 66.43 1n8r h VAL 159 Cb 1.29 1.40 -0.00 0.00 -1.52 0.00 0.00 31.29 32.46 1n8r h VAL 159 CO 0.99 0.21 -0.09 0.03 0.02 0.00 0.00 177.57 178.73 1n8r h ARG 160 N 0.00 0.00 0.03 1.57 3.08 -2.01 -3.15 114.38 113.89 1n8r h ARG 160 Ca -0.00 0.00 -0.39 0.00 0.07 0.00 0.00 59.98 59.66 1n8r h ARG 160 Cb 0.38 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.38 1n8r h ARG 160 CO 0.03 0.09 -2.33 0.28 -1.07 0.00 0.00 179.97 176.97 1n8r n VAL 161 N -4.19 1.56 -3.38 2.04 0.31 -0.88 -4.68 118.33 109.11 1n8r n VAL 161 Ca -0.03 -0.53 -0.45 0.00 -0.01 0.00 0.00 64.34 63.32 1n8r n VAL 161 Cb 0.17 -1.59 -0.02 0.00 -0.91 0.00 0.00 33.84 31.49 1n8r n VAL 161 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1n8r s PHE 162 N -2.52 3.94 -1.70 3.52 0.40 -0.57 -4.85 117.98 116.21 1n8r s PHE 162 Ca -0.33 -2.36 0.20 0.00 -0.60 0.00 0.00 56.93 53.84 1n8r s PHE 162 Cb 0.09 -3.75 0.63 0.00 0.51 0.00 0.00 43.02 40.51 1n8r s PHE 162 CO 0.62 -0.95 1.53 1.04 0.70 0.00 0.00 175.22 178.16 1n8r n GLN 163 N 3.37 2.95 -1.31 0.44 6.02 -1.22 -4.58 117.38 123.05 1n8r n GLN 163 Ca 0.18 -2.55 -0.33 0.00 -0.01 0.00 0.00 57.00 54.28 1n8r n GLN 163 Cb 0.43 -1.65 0.10 0.00 1.02 0.00 0.00 30.24 30.14 1n8r n GLN 163 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1n8r s ASP 164 N -0.95 4.06 0.00 1.08 1.11 -1.26 -4.87 116.67 115.84 1n8r s ASP 164 Ca 0.47 2.25 0.00 0.00 0.18 0.00 0.00 52.55 55.44 1n8r s ASP 164 Cb 0.27 -2.58 0.00 0.00 1.07 0.00 0.00 42.92 41.68 1n8r s ASP 164 CO 0.28 -2.35 0.00 0.61 1.18 0.00 0.00 175.17 174.90 1n8r n GLY 165 N 0.14 2.59 3.74 0.21 0.00 0.29 -4.99 105.19 107.17 1n8r n GLY 165 Ca 0.12 -1.83 -0.35 0.00 0.00 0.00 0.00 46.02 43.96 1n8r n GLY 165 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n8r s VAL 166 N -1.74 5.02 0.13 1.61 1.01 -1.26 -1.41 120.40 123.76 1n8r s VAL 166 Ca 0.00 0.04 0.08 0.00 0.00 0.00 0.00 61.98 62.10 1n8r s VAL 166 Cb 0.00 -3.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.13 1n8r s VAL 166 CO 0.00 0.54 -0.20 -0.31 0.00 0.00 0.00 175.10 175.13 1n8r s TYR 167 N -0.32 1.83 -0.18 5.22 1.51 -0.58 -4.22 117.35 120.60 1n8r s TYR 167 Ca 0.09 -0.44 -0.29 0.00 -1.01 0.00 0.00 57.07 55.43 1n8r s TYR 167 Cb -0.12 -0.96 -0.02 0.00 -0.11 0.00 0.00 41.96 40.75 1n8r s TYR 167 CO 0.01 0.27 1.38 0.42 -1.11 0.00 0.00 175.55 176.52 1n8r s ILE 168 N -1.54 4.07 -0.18 2.71 -1.09 -1.26 -1.10 121.20 122.81 1n8r s ILE 168 Ca 0.11 1.26 0.07 0.00 -2.23 0.00 0.00 60.65 59.86 1n8r s ILE 168 Cb -0.08 -3.90 -0.22 0.00 -1.58 0.00 0.00 42.46 36.67 1n8r s ILE 168 CO 0.05 -0.21 0.14 0.41 -1.23 0.00 0.00 174.94 174.10 1n8r n THR 169 N 5.68 1.54 -3.73 2.92 -1.04 0.86 -4.91 114.28 115.60 1n8r n THR 169 Ca 0.15 -0.71 -0.21 0.00 -2.04 0.00 0.00 64.05 61.24 1n8r n THR 169 Cb 0.45 -1.14 -0.18 0.00 -1.82 0.00 0.00 70.33 67.64 1n8r n THR 169 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1n8r s ARG 170 N -2.53 0.23 -0.02 -2.82 0.52 -0.63 -4.93 118.95 108.76 1n8r s ARG 170 Ca -0.20 0.24 -0.13 0.00 -0.52 0.00 0.00 55.73 55.12 1n8r s ARG 170 Cb 0.07 -0.70 -0.05 0.00 0.52 0.00 0.00 34.95 34.79 1n8r s ARG 170 CO 0.74 -0.30 0.36 0.15 0.02 0.00 0.00 175.30 176.27 1n8r s LYS 171 N 1.99 3.84 0.00 3.54 1.02 -1.26 -1.70 119.74 127.17 1n8r s LYS 171 Ca 0.04 0.32 0.02 0.00 0.02 0.00 0.00 55.97 56.37 1n8r s LYS 171 Cb -0.12 -3.22 0.14 0.00 -0.52 0.00 0.00 37.83 34.11 1n8r s LYS 171 CO -0.04 0.70 0.63 -0.35 -0.92 0.00 0.00 175.35 175.37