#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n8r s PRO 2 N 0.00 3.29 0.39 1.97 0.02 -1.26 -4.95 135.00 134.47 1n8r s PRO 2 Ca 0.00 1.47 0.11 0.00 0.02 0.00 0.00 61.00 62.61 1n8r s PRO 2 Cb 0.00 -2.01 0.80 0.00 0.02 0.00 0.00 34.50 33.31 1n8r s PRO 2 CO 0.00 -0.87 1.89 0.78 -0.33 0.00 0.00 177.00 178.47 1n8r h GLY 3 N 0.90 0.11 -0.85 0.52 0.00 -2.01 -2.57 103.07 99.16 1n8r h GLY 3 Ca -0.49 -0.08 0.39 0.00 0.00 0.00 0.00 47.33 47.15 1n8r h GLY 3 CO 0.57 0.07 0.64 0.00 0.00 0.00 0.00 176.54 177.82 1n8r h ALA 4 N 1.66 2.26 0.00 3.60 0.00 -2.00 0.27 119.26 125.06 1n8r h ALA 4 Ca 0.02 0.19 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 1n8r h ALA 4 Cb 0.48 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1n8r h ALA 4 CO 0.03 -0.94 -0.17 0.52 0.00 0.00 0.00 179.25 178.70 1n8r h MET 5 N 0.14 0.00 0.00 0.00 2.86 -1.85 -3.37 114.93 112.71 1n8r h MET 5 Ca 0.80 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.44 1n8r h MET 5 Cb 2.13 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.79 1n8r h MET 5 CO -0.60 0.17 0.00 0.66 1.06 0.00 0.00 176.91 178.20 1n8r n TYR 6 N -3.38 0.00 0.36 -0.22 4.02 0.80 -4.87 117.16 113.88 1n8r n TYR 6 Ca -0.00 -0.01 0.10 0.00 -0.01 0.00 0.00 57.90 57.98 1n8r n TYR 6 Cb 0.37 -0.00 0.44 0.00 -0.02 0.00 0.00 39.34 40.14 1n8r n TYR 6 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 176.86 178.74 1n8r n ARG 7 N -0.01 0.14 -3.52 -0.72 1.85 -0.28 -4.56 116.66 109.55 1n8r n ARG 7 Ca 0.00 0.42 -0.29 0.00 -1.00 0.00 0.00 57.85 56.98 1n8r n ARG 7 Cb 0.17 -1.79 -0.04 0.00 -1.05 0.00 0.00 32.46 29.76 1n8r n ARG 7 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 1n8r s ASN 8 N -3.91 6.46 -0.74 2.89 0.02 -1.26 -1.74 114.94 116.66 1n8r s ASN 8 Ca 0.04 0.62 -0.02 0.00 -1.02 0.00 0.00 52.86 52.47 1n8r s ASN 8 Cb 0.08 -2.10 0.38 0.00 0.02 0.00 0.00 41.25 39.63 1n8r s ASN 8 CO 0.32 -0.08 2.06 -1.20 0.02 0.00 0.00 177.10 178.22 1n8r n SER 9 N -0.55 7.55 0.11 -1.22 7.64 -1.26 -4.63 113.62 121.26 1n8r n SER 9 Ca -0.02 -3.77 0.12 0.00 1.01 0.00 0.00 58.87 56.21 1n8r n SER 9 Cb 0.53 -1.03 0.21 0.00 -1.01 0.00 0.00 64.21 62.91 1n8r n SER 9 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1n8r h SER 10 N 2.50 0.00 -3.01 6.43 4.64 -1.96 -3.47 113.55 118.67 1n8r h SER 10 Ca 0.57 -0.09 -0.47 0.00 -0.47 0.00 0.00 61.79 61.34 1n8r h SER 10 Cb 0.43 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.56 1n8r h SER 10 CO 1.47 0.04 -0.02 -0.54 -0.87 0.00 0.00 176.83 176.91 1n8r s LYS 11 N -3.19 3.08 0.83 4.77 1.02 -1.26 -5.07 119.74 119.92 1n8r s LYS 11 Ca 0.07 -0.32 -0.10 0.00 0.02 0.00 0.00 55.97 55.63 1n8r s LYS 11 Cb 0.11 -2.48 0.09 0.00 -0.52 0.00 0.00 37.83 35.03 1n8r s LYS 11 CO 0.69 -0.35 1.12 -2.14 -0.92 0.00 0.00 175.35 173.75 1n8r s PRO 12 N -4.66 1.74 0.15 -1.68 0.02 -1.26 -4.93 135.00 124.38 1n8r s PRO 12 Ca 0.49 1.34 -0.30 0.00 0.02 0.00 0.00 61.00 62.55 1n8r s PRO 12 Cb -0.10 -1.83 -0.08 0.00 0.02 0.00 0.00 34.50 32.52 1n8r s PRO 12 CO 0.40 -2.06 1.26 0.00 -0.33 0.00 0.00 177.00 176.28 1n8r s ALA 13 N -2.77 3.48 -0.31 -1.55 0.00 -1.26 -4.97 121.76 114.38 1n8r s ALA 13 Ca 0.64 1.00 -0.00 0.00 0.00 0.00 0.00 51.96 53.60 1n8r s ALA 13 Cb -0.20 -3.46 0.10 0.00 0.00 0.00 0.00 23.12 19.56 1n8r s ALA 13 CO 0.56 -0.47 0.09 -0.47 0.00 0.00 0.00 175.76 175.47 1n8r s TYR 14 N 0.47 1.90 0.00 0.00 5.04 -1.26 -4.93 117.35 118.57 1n8r s TYR 14 Ca 0.57 -1.84 0.00 0.00 -2.44 0.00 0.00 57.07 53.36 1n8r s TYR 14 Cb -0.34 -1.82 0.00 0.00 0.35 0.00 0.00 41.96 40.15 1n8r s TYR 14 CO 0.34 -0.88 0.00 0.25 -1.34 0.00 0.00 175.55 173.92 1n8r n THR 15 N 4.79 0.00 -1.95 4.34 -2.24 -1.26 -1.53 114.28 116.43 1n8r n THR 15 Ca -0.02 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.37 1n8r n THR 15 Cb 0.42 0.67 -0.03 0.00 -2.10 0.00 0.00 70.33 69.29 1n8r n THR 15 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1n8r s ARG 16 N 0.00 2.78 0.46 -0.78 1.81 -1.26 -4.80 118.95 117.16 1n8r s ARG 16 Ca 0.00 1.00 0.31 0.00 -1.72 0.00 0.00 55.73 55.32 1n8r s ARG 16 Cb 0.00 -4.36 1.37 0.00 -0.45 0.00 0.00 34.95 31.52 1n8r s ARG 16 CO 0.00 -2.53 1.93 0.00 -0.68 0.00 0.00 175.30 174.02 1n8r h ARG 17 N 14.96 0.00 0.00 3.54 3.08 -1.97 -1.67 114.38 132.31 1n8r h ARG 17 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.77 1n8r h ARG 17 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.23 1n8r h ARG 17 CO 1.15 0.00 0.00 -0.85 -1.07 0.00 0.00 179.97 179.20 1n8r n GLU 18 N -2.76 0.26 0.00 0.04 0.00 -1.26 -2.80 120.64 114.12 1n8r n GLU 18 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 57.16 57.27 1n8r n GLU 18 Cb 0.23 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.17 1n8r n GLU 18 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1n8r n TYR 19 N -1.31 0.00 -4.74 -1.84 4.02 -0.67 -5.03 117.16 107.60 1n8r n TYR 19 Ca 0.09 0.00 -0.26 0.00 -0.01 0.00 0.00 57.90 57.72 1n8r n TYR 19 Cb 0.17 0.00 -0.17 0.00 -0.02 0.00 0.00 39.34 39.32 1n8r n TYR 19 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1n8r s ILE 20 N -0.06 1.37 0.24 -0.72 1.01 -0.98 -5.09 121.20 116.98 1n8r s ILE 20 Ca 0.00 -0.61 0.07 0.00 0.00 0.00 0.00 60.65 60.11 1n8r s ILE 20 Cb 0.00 -1.23 -0.05 0.00 0.01 0.00 0.00 42.46 41.19 1n8r s ILE 20 CO 0.00 0.41 -0.10 -0.94 0.00 0.00 0.00 174.94 174.30 1n8r s SER 21 N 0.59 2.63 -0.54 3.58 1.04 -1.26 -4.66 113.70 115.09 1n8r s SER 21 Ca -0.15 -1.10 0.00 0.00 0.48 0.00 0.00 55.95 55.18 1n8r s SER 21 Cb -0.16 -0.14 0.00 0.00 0.10 0.00 0.00 66.02 65.81 1n8r s SER 21 CO 0.05 -0.25 0.00 0.61 0.98 0.00 0.00 173.24 174.63 1n8r n GLY 22 N -0.47 0.23 3.70 7.32 0.00 -1.26 -4.83 105.19 109.88 1n8r n GLY 22 Ca -0.07 -0.65 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 1n8r n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1n8r s ILE 23 N -2.29 4.63 0.45 -0.61 1.01 -1.26 -4.82 121.20 118.30 1n8r s ILE 23 Ca 0.00 1.89 -0.25 0.00 0.00 0.00 0.00 60.65 62.29 1n8r s ILE 23 Cb 0.00 -4.21 -0.08 0.00 0.01 0.00 0.00 42.46 38.18 1n8r s ILE 23 CO 0.00 0.11 1.41 -2.84 0.00 0.00 0.00 174.94 173.61 1n8r s PRO 24 N 1.33 3.67 0.66 2.79 0.02 -1.26 -4.98 135.00 137.23 1n8r s PRO 24 Ca 0.53 2.37 -0.15 0.00 0.02 0.00 0.00 61.00 63.77 1n8r s PRO 24 Cb -0.23 -2.63 0.00 0.00 0.02 0.00 0.00 34.50 31.66 1n8r s PRO 24 CO 0.26 -0.81 1.12 0.20 -0.33 0.00 0.00 177.00 177.44 1n8r s GLY 25 N -0.58 2.19 0.39 0.52 0.00 -1.26 -4.81 107.32 103.78 1n8r s GLY 25 Ca 0.61 0.59 -0.24 0.00 0.00 0.00 0.00 44.72 45.68 1n8r s GLY 25 CO 0.55 0.95 1.04 1.25 0.00 0.00 0.00 173.10 176.89 1n8r s LYS 26 N -4.04 4.21 0.00 2.90 2.20 -1.26 -4.95 119.74 118.80 1n8r s LYS 26 Ca 0.68 1.51 0.26 0.00 -0.36 0.00 0.00 55.97 58.06 1n8r s LYS 26 Cb -0.21 -2.58 0.92 0.00 -1.51 0.00 0.00 37.83 34.45 1n8r s LYS 26 CO 0.41 -0.10 1.67 1.63 -0.36 0.00 0.00 175.35 178.60 1n8r n LYS 27 N 0.01 1.74 -2.49 4.03 5.02 -1.26 -4.85 118.16 120.36 1n8r n LYS 27 Ca 0.05 -1.08 -0.43 0.00 -2.02 0.00 0.00 58.31 54.83 1n8r n LYS 27 Cb 0.49 -1.46 -0.02 0.00 -0.02 0.00 0.00 35.03 34.02 1n8r n LYS 27 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1n8r s ILE 28 N -1.95 4.32 -0.03 -0.18 1.01 -1.26 -4.75 121.20 118.36 1n8r s ILE 28 Ca 0.36 1.55 -0.23 0.00 0.00 0.00 0.00 60.65 62.33 1n8r s ILE 28 Cb 0.20 -4.16 -0.16 0.00 0.01 0.00 0.00 42.46 38.35 1n8r s ILE 28 CO 0.32 -0.32 1.04 0.00 0.00 0.00 0.00 174.94 175.98 1n8r h ALA 29 N 8.49 -0.27 -2.39 9.38 0.00 -1.94 -3.47 119.26 129.06 1n8r h ALA 29 Ca -0.24 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.32 1n8r h ALA 29 Cb 1.09 0.10 -0.15 0.00 0.00 0.00 0.00 17.79 18.84 1n8r h ALA 29 CO 1.00 -0.39 -0.57 -0.65 0.00 0.00 0.00 179.25 178.64 1n8r s GLN 30 N -3.95 0.81 -0.07 0.00 -0.21 -1.26 -5.04 119.66 109.94 1n8r s GLN 30 Ca -0.13 -1.24 0.06 0.00 0.02 0.00 0.00 55.36 54.06 1n8r s GLN 30 Cb 0.01 0.26 -0.08 0.00 1.00 0.00 0.00 33.01 34.20 1n8r s GLN 30 CO 0.52 -0.22 0.01 1.19 -2.12 0.00 0.00 175.29 174.67 1n8r n PHE 31 N -0.02 0.00 -3.94 0.91 3.01 -1.26 -4.92 117.46 111.24 1n8r n PHE 31 Ca -0.11 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 58.00 1n8r n PHE 31 Cb 0.62 -0.34 -0.12 0.00 -0.01 0.00 0.00 39.48 39.63 1n8r n PHE 31 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1n8r s ASP 32 N -3.98 5.18 0.31 4.37 1.01 -1.26 -2.45 116.67 119.85 1n8r s ASP 32 Ca -0.05 -0.12 0.05 0.00 0.71 0.00 0.00 52.55 53.14 1n8r s ASP 32 Cb 0.02 -1.90 -0.06 0.00 1.01 0.00 0.00 42.92 41.98 1n8r s ASP 32 CO 0.28 0.06 0.01 -0.04 0.21 0.00 0.00 175.17 175.68 1n8r s MET 33 N 1.07 1.63 4.08 8.23 -1.94 -0.34 -4.97 119.30 127.07 1n8r s MET 33 Ca 0.03 -1.88 0.00 0.00 -1.71 0.00 0.00 55.69 52.14 1n8r s MET 33 Cb -0.14 -1.05 0.00 0.00 2.01 0.00 0.00 34.83 35.65 1n8r s MET 33 CO 0.03 -0.08 0.00 0.41 -0.01 0.00 0.00 175.02 175.36 1n8r n GLY 34 N -0.67 0.66 3.46 -0.03 0.00 -1.26 -1.89 105.19 105.47 1n8r n GLY 34 Ca -0.04 -0.86 -0.43 0.00 0.00 0.00 0.00 46.02 44.69 1n8r n GLY 34 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1n8r n ASN 35 N 2.05 5.00 0.00 1.61 3.02 0.47 -4.75 115.26 122.66 1n8r n ASN 35 Ca 0.00 -2.95 0.12 0.00 -0.03 0.00 0.00 54.58 51.73 1n8r n ASN 35 Cb 0.00 -1.66 0.64 0.00 -0.61 0.00 0.00 39.78 38.15 1n8r n ASN 35 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1n8r n ASN 36 N 7.02 0.00 0.08 6.41 0.23 -1.26 -2.39 115.26 125.36 1n8r n ASN 36 Ca 0.44 -0.16 -0.08 0.00 -0.53 0.00 0.00 54.58 54.25 1n8r n ASN 36 Cb 0.44 -0.25 0.02 0.00 -2.08 0.00 0.00 39.78 37.91 1n8r n ASN 36 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 1n8r h GLY 37 N 4.07 0.23 -2.69 4.83 0.00 -1.96 -3.45 103.07 104.10 1n8r h GLY 37 Ca 0.00 -0.38 -0.50 0.00 0.00 0.00 0.00 47.33 46.45 1n8r h GLY 37 CO 0.00 0.34 -0.01 0.00 0.00 0.00 0.00 176.54 176.87 1n8r s ALA 38 N -3.33 3.50 0.20 3.60 0.00 -1.00 -5.11 121.76 119.61 1n8r s ALA 38 Ca -0.03 -0.46 0.04 0.00 0.00 0.00 0.00 51.96 51.51 1n8r s ALA 38 Cb 0.10 -2.47 -0.03 0.00 0.00 0.00 0.00 23.12 20.72 1n8r s ALA 38 CO 0.82 0.03 0.31 0.20 0.00 0.00 0.00 175.76 177.12 1n8r s GLY 39 N -3.40 1.45 -0.12 0.00 0.00 -1.26 -4.96 107.32 99.03 1n8r s GLY 39 Ca 0.47 -1.16 -0.17 0.00 0.00 0.00 0.00 44.72 43.85 1n8r s GLY 39 CO 0.33 -1.17 1.23 -1.05 0.00 0.00 0.00 173.10 172.44 1n8r n PRO 40 N -0.99 0.01 -1.55 2.90 -0.02 -1.26 -4.58 135.00 129.50 1n8r n PRO 40 Ca -0.08 -0.65 -0.27 0.00 -2.02 0.00 0.00 63.50 60.47 1n8r n PRO 40 Cb 0.56 -2.02 0.07 0.00 -0.02 0.00 0.00 33.50 32.08 1n8r n PRO 40 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1n8r n THR 41 N 5.83 3.07 -4.04 3.45 -2.24 -1.26 -5.03 114.28 114.06 1n8r n THR 41 Ca 0.26 -3.40 -0.30 0.00 -2.27 0.00 0.00 64.05 58.35 1n8r n THR 41 Cb 0.37 -1.04 -0.06 0.00 -2.10 0.00 0.00 70.33 67.50 1n8r n THR 41 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1n8r s TYR 42 N -3.66 3.21 0.04 4.78 1.51 -1.26 -5.04 117.35 116.93 1n8r s TYR 42 Ca 0.57 0.08 -0.26 0.00 -1.01 0.00 0.00 57.07 56.45 1n8r s TYR 42 Cb 0.46 -1.62 -0.17 0.00 -0.11 0.00 0.00 41.96 40.52 1n8r s TYR 42 CO 0.02 0.53 1.43 -1.35 -1.11 0.00 0.00 175.55 175.07 1n8r h PRO 43 N 3.15 -0.38 -5.99 -1.71 0.11 -1.90 -3.45 132.00 121.84 1n8r h PRO 43 Ca -0.47 0.03 -0.61 0.00 0.11 0.00 0.00 66.00 65.06 1n8r h PRO 43 Cb 1.17 0.09 -0.04 0.00 0.11 0.00 0.00 31.00 32.32 1n8r h PRO 43 CO 0.66 -0.12 -0.40 0.00 -0.21 0.00 0.00 178.00 177.93 1n8r s ALA 44 N -5.34 3.88 -0.29 -0.75 0.00 -0.30 -4.35 121.76 114.63 1n8r s ALA 44 Ca -0.15 -0.66 -0.02 0.00 0.00 0.00 0.00 51.96 51.13 1n8r s ALA 44 Cb 0.03 -2.00 0.12 0.00 0.00 0.00 0.00 23.12 21.27 1n8r s ALA 44 CO 0.60 0.72 0.23 -1.14 0.00 0.00 0.00 175.76 176.17 1n8r s GLN 45 N -2.29 0.27 0.18 0.00 0.74 -1.14 -1.89 119.66 115.53 1n8r s GLN 45 Ca 0.34 -0.27 0.03 0.00 0.05 0.00 0.00 55.36 55.52 1n8r s GLN 45 Cb -0.13 -0.86 -0.03 0.00 1.10 0.00 0.00 33.01 33.09 1n8r s GLN 45 CO 0.23 -1.01 0.30 0.08 -0.55 0.00 0.00 175.29 174.34 1n8r s VAL 46 N 2.26 5.26 0.03 1.34 1.01 -1.11 -0.29 120.40 128.91 1n8r s VAL 46 Ca 0.09 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.26 1n8r s VAL 46 Cb -0.15 -3.76 -0.02 0.00 0.00 0.00 0.00 36.38 32.45 1n8r s VAL 46 CO -0.34 -0.18 -0.04 -1.61 0.00 0.00 0.00 175.10 172.94 1n8r s GLU 47 N -3.50 0.39 -0.29 2.72 2.02 0.24 -1.55 118.70 118.73 1n8r s GLU 47 Ca 0.34 -0.73 -0.09 0.00 0.02 0.00 0.00 54.97 54.51 1n8r s GLU 47 Cb -0.10 0.08 -0.01 0.00 0.10 0.00 0.00 34.13 34.19 1n8r s GLU 47 CO 0.28 -0.05 0.13 -1.17 0.02 0.00 0.00 175.26 174.48 1n8r s LEU 48 N -1.73 3.93 -0.27 1.80 2.96 0.11 -1.28 118.68 124.20 1n8r s LEU 48 Ca -0.11 -0.42 -0.07 0.00 -0.22 0.00 0.00 54.13 53.30 1n8r s LEU 48 Cb -0.07 -1.99 -0.02 0.00 0.50 0.00 0.00 46.19 44.62 1n8r s LEU 48 CO -0.02 -0.15 0.08 -0.69 -1.32 0.00 0.00 176.35 174.25 1n8r s VAL 49 N 1.62 4.24 0.28 1.68 1.01 0.05 -0.92 120.40 128.37 1n8r s VAL 49 Ca 0.05 -0.35 -0.29 0.00 0.00 0.00 0.00 61.98 61.39 1n8r s VAL 49 Cb -0.17 -3.06 -0.10 0.00 0.00 0.00 0.00 36.38 33.05 1n8r s VAL 49 CO 0.06 0.23 1.32 -0.69 0.00 0.00 0.00 175.10 176.02 1n8r s VAL 50 N 1.58 2.87 -2.63 2.92 1.01 -0.80 -0.88 120.40 124.48 1n8r s VAL 50 Ca 0.05 0.80 0.24 0.00 0.00 0.00 0.00 61.98 63.07 1n8r s VAL 50 Cb -0.16 -3.51 0.36 0.00 0.00 0.00 0.00 36.38 33.07 1n8r s VAL 50 CO 0.04 0.16 1.37 -0.62 0.00 0.00 0.00 175.10 176.05 1n8r n GLU 51 N 1.59 2.46 -3.74 2.72 1.02 -0.84 0.15 120.64 124.00 1n8r n GLU 51 Ca 0.03 -2.18 -0.13 0.00 -0.02 0.00 0.00 57.16 54.85 1n8r n GLU 51 Cb 0.42 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 30.24 1n8r n GLU 51 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1n8r s LYS 52 N -1.64 0.49 0.17 3.49 1.02 -1.26 -4.62 119.74 117.38 1n8r s LYS 52 Ca 0.36 0.48 -0.32 0.00 0.02 0.00 0.00 55.97 56.51 1n8r s LYS 52 Cb 0.22 0.24 -0.10 0.00 -0.52 0.00 0.00 37.83 37.66 1n8r s LYS 52 CO 0.31 -0.07 1.59 -2.14 -0.92 0.00 0.00 175.35 174.12 1n8r s PRO 53 N 0.05 4.20 0.27 -1.68 0.02 -1.26 -3.86 135.00 132.75 1n8r s PRO 53 Ca -0.01 2.39 -0.09 0.00 0.02 0.00 0.00 61.00 63.30 1n8r s PRO 53 Cb -0.03 -3.16 -0.00 0.00 0.02 0.00 0.00 34.50 31.33 1n8r s PRO 53 CO 0.01 -0.63 0.46 0.14 -0.33 0.00 0.00 177.00 176.65 1n8r s VAL 54 N 1.19 0.00 -0.13 3.83 -7.23 0.25 -4.78 120.40 113.53 1n8r s VAL 54 Ca 0.71 -1.49 -0.02 0.00 -1.81 0.00 0.00 61.98 59.37 1n8r s VAL 54 Cb -0.44 -2.37 -0.02 0.00 0.56 0.00 0.00 36.38 34.10 1n8r s VAL 54 CO 0.31 0.00 -0.07 -1.10 -0.31 0.00 0.00 175.10 173.93 1n8r s GLN 55 N -3.71 3.43 -0.26 4.82 -0.21 -0.71 -0.90 119.66 122.12 1n8r s GLN 55 Ca 0.26 -0.58 0.02 0.00 0.02 0.00 0.00 55.36 55.08 1n8r s GLN 55 Cb -0.00 -2.77 0.07 0.00 1.00 0.00 0.00 33.01 31.31 1n8r s GLN 55 CO 0.12 0.30 -0.06 0.42 -2.12 0.00 0.00 175.29 173.96 1n8r s ILE 56 N 0.17 1.89 0.45 1.08 1.01 -0.17 -4.42 121.20 121.20 1n8r s ILE 56 Ca -0.04 -1.57 -0.25 0.00 0.00 0.00 0.00 60.65 58.78 1n8r s ILE 56 Cb -0.14 -2.13 -0.08 0.00 0.01 0.00 0.00 42.46 40.11 1n8r s ILE 56 CO 0.04 -0.17 1.42 -0.13 0.00 0.00 0.00 174.94 176.10 1n8r s ARG 57 N 1.20 3.70 0.62 2.79 0.52 -1.26 -0.31 118.95 126.21 1n8r s ARG 57 Ca -0.04 2.40 0.27 0.00 -0.52 0.00 0.00 55.73 57.84 1n8r s ARG 57 Cb -0.19 -2.66 1.31 0.00 0.52 0.00 0.00 34.95 33.93 1n8r s ARG 57 CO -0.07 -0.80 1.74 1.12 0.02 0.00 0.00 175.30 177.31 1n8r h HIS 58 N 2.34 0.00 0.41 -0.53 2.07 -1.39 0.11 115.15 118.16 1n8r h HIS 58 Ca -0.51 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.00 1n8r h HIS 58 Cb 1.26 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.22 1n8r h HIS 58 CO 0.50 0.00 -0.44 -0.91 -3.07 0.00 0.00 177.93 174.01 1n8r h ASN 59 N 0.00 -1.22 0.14 3.10 -0.26 -1.88 -2.10 115.58 113.36 1n8r h ASN 59 Ca 0.20 0.10 -0.05 0.00 -0.56 0.00 0.00 56.30 55.98 1n8r h ASN 59 Cb 1.42 0.41 -0.01 0.00 -1.06 0.00 0.00 38.32 39.07 1n8r h ASN 59 CO -0.00 -0.57 -0.20 0.00 -1.06 0.00 0.00 177.43 175.60 1n8r h ALA 60 N -1.00 1.53 -0.03 -0.83 0.00 -1.09 -2.45 119.26 115.39 1n8r h ALA 60 Ca -0.05 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1n8r h ALA 60 Cb 0.75 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1n8r h ALA 60 CO -0.07 0.34 0.02 -0.07 0.00 0.00 0.00 179.25 179.47 1n8r h LEU 61 N 0.12 0.04 -0.73 0.00 -0.00 -1.10 0.46 115.31 114.09 1n8r h LEU 61 Ca 0.02 -0.07 -0.04 0.00 -0.00 0.00 0.00 57.88 57.79 1n8r h LEU 61 Cb 0.42 -0.01 -0.03 0.00 -0.00 0.00 0.00 40.66 41.04 1n8r h LEU 61 CO 0.03 0.10 0.32 -0.08 -0.00 0.00 0.00 178.44 178.80 1n8r h GLU 62 N -0.02 1.08 -0.29 1.13 4.57 -1.18 0.22 114.58 120.08 1n8r h GLU 62 Ca 0.01 -0.18 -0.17 0.00 -1.18 0.00 0.00 59.36 57.84 1n8r h GLU 62 Cb 0.07 -0.18 -0.00 0.00 -0.16 0.00 0.00 28.75 28.47 1n8r h GLU 62 CO -0.00 0.87 -0.50 0.00 -1.18 0.00 0.00 179.01 178.19 1n8r h ALA 63 N 1.15 0.55 0.09 2.92 0.00 -1.35 -0.14 119.26 122.49 1n8r h ALA 63 Ca 0.25 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 1n8r h ALA 63 Cb 0.18 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1n8r h ALA 63 CO -0.02 0.68 -0.04 0.00 0.00 0.00 0.00 179.25 179.86 1n8r h ALA 64 N 0.78 -0.13 0.00 0.00 0.00 -0.69 -1.58 119.26 117.64 1n8r h ALA 64 Ca 0.03 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.79 1n8r h ALA 64 Cb 1.09 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 1n8r h ALA 64 CO 0.11 -0.41 -0.14 -0.09 0.00 0.00 0.00 179.25 178.72 1n8r h ARG 65 N -0.45 -0.22 0.13 0.00 2.43 -0.54 -2.33 114.38 113.40 1n8r h ARG 65 Ca -0.01 0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.19 1n8r h ARG 65 Cb 0.37 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.94 1n8r h ARG 65 CO 0.02 -0.15 -0.28 0.28 -1.51 0.00 0.00 179.97 178.33 1n8r h VAL 66 N -0.23 0.39 -0.44 0.20 2.07 -1.05 -0.36 116.25 116.84 1n8r h VAL 66 Ca 0.05 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.69 1n8r h VAL 66 Cb 0.29 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 1n8r h VAL 66 CO -0.13 0.00 0.41 0.00 0.02 0.00 0.00 177.57 177.87 1n8r h ALA 67 N 0.20 2.20 0.00 1.67 0.00 -1.07 0.65 119.26 122.91 1n8r h ALA 67 Ca 0.03 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1n8r h ALA 67 Cb 0.52 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1n8r h ALA 67 CO -0.16 -0.64 -0.38 0.00 0.00 0.00 0.00 179.25 178.08 1n8r h ALA 68 N 1.58 0.05 -0.41 0.00 0.00 -0.76 -3.28 119.26 116.44 1n8r h ALA 68 Ca 0.21 -0.47 -0.11 0.00 0.00 0.00 0.00 54.91 54.54 1n8r h ALA 68 Cb 1.03 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1n8r h ALA 68 CO -0.00 0.28 -0.19 -0.97 0.00 0.00 0.00 179.25 178.36 1n8r h ASN 69 N -1.00 0.87 -0.11 0.00 -0.00 -0.90 0.27 115.58 114.71 1n8r h ASN 69 Ca -0.06 -0.40 0.03 0.00 -0.00 0.00 0.00 56.30 55.87 1n8r h ASN 69 Cb 0.58 -0.24 -0.00 0.00 -0.00 0.00 0.00 38.32 38.66 1n8r h ASN 69 CO -0.04 1.08 0.14 -0.09 -0.00 0.00 0.00 177.43 178.52 1n8r h ARG 70 N 0.66 0.00 0.01 6.67 2.43 0.12 0.13 114.38 124.40 1n8r h ARG 70 Ca 0.09 0.00 -0.29 0.00 -0.81 0.00 0.00 59.98 58.97 1n8r h ARG 70 Cb 0.75 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.25 1n8r h ARG 70 CO 0.06 0.00 -1.69 -0.92 -1.51 0.00 0.00 179.97 175.91 1n8r h TYR 71 N 0.00 0.03 0.00 2.20 3.20 -1.47 -3.31 116.97 117.62 1n8r h TYR 71 Ca 0.05 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1n8r h TYR 71 Cb 0.32 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.59 1n8r h TYR 71 CO 0.00 1.04 0.00 1.55 -1.64 0.00 0.00 178.16 179.11 1n8r n VAL 72 N -3.08 0.00 -2.66 1.81 3.14 0.46 -2.77 118.33 115.24 1n8r n VAL 72 Ca -0.17 0.00 -0.41 0.00 -2.96 0.00 0.00 64.34 60.80 1n8r n VAL 72 Cb 1.05 -0.33 0.02 0.00 -1.06 0.00 0.00 33.84 33.51 1n8r n VAL 72 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1n8r n GLN 73 N -0.28 5.41 0.00 1.45 3.00 -1.22 -2.89 117.38 122.85 1n8r n GLN 73 Ca 0.00 -4.67 0.00 0.00 -0.01 0.00 0.00 57.00 52.32 1n8r n GLN 73 Cb 0.01 -2.47 0.00 0.00 0.00 0.00 0.00 30.24 27.78 1n8r n GLN 73 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 1n8r n ASN 74 N -0.01 0.39 0.00 1.08 5.15 -1.11 -4.52 115.26 116.24 1n8r n ASN 74 Ca 0.46 -0.81 0.00 0.00 -0.60 0.00 0.00 54.58 53.63 1n8r n ASN 74 Cb 0.26 0.14 0.00 0.00 -0.53 0.00 0.00 39.78 39.65 1n8r n ASN 74 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1n8r n SER 75 N -0.14 3.18 0.00 1.20 7.64 -1.14 -5.13 113.62 119.23 1n8r n SER 75 Ca 0.00 -0.17 0.00 0.00 1.01 0.00 0.00 58.87 59.71 1n8r n SER 75 Cb 0.09 0.97 0.00 0.00 -1.01 0.00 0.00 64.21 64.26 1n8r n SER 75 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1n8r n GLY 76 N 1.92 2.72 0.44 0.23 0.00 -1.26 -4.07 105.19 105.18 1n8r n GLY 76 Ca 0.00 -1.68 0.26 0.00 0.00 0.00 0.00 46.02 44.60 1n8r n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n8r h ALA 77 N 0.00 2.66 -0.34 4.61 0.00 -1.93 0.91 119.26 125.16 1n8r h ALA 77 Ca 0.00 -0.03 -0.26 0.00 0.00 0.00 0.00 54.91 54.62 1n8r h ALA 77 Cb 0.00 0.06 -0.25 0.00 0.00 0.00 0.00 17.79 17.60 1n8r h ALA 77 CO 0.00 -0.98 -0.74 0.00 0.00 0.00 0.00 179.25 177.53 1n8r n ALA 78 N -2.62 3.98 -0.56 0.00 0.00 -1.26 -4.99 120.51 115.06 1n8r n ALA 78 Ca 0.15 -3.35 -0.28 0.00 0.00 0.00 0.00 53.44 49.96 1n8r n ALA 78 Cb 0.86 -0.43 0.25 0.00 0.00 0.00 0.00 19.45 20.14 1n8r n ALA 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n8r s ALA 79 N -3.12 -0.53 -1.09 0.00 0.00 0.31 -4.95 121.76 112.37 1n8r s ALA 79 Ca 0.42 -0.16 -0.12 0.00 0.00 0.00 0.00 51.96 52.09 1n8r s ALA 79 Cb 0.38 -3.24 0.22 0.00 0.00 0.00 0.00 23.12 20.49 1n8r s ALA 79 CO -0.03 -3.88 1.19 1.21 0.00 0.00 0.00 175.76 174.24 1n8r s ASN 80 N -2.54 7.10 0.10 0.00 3.04 -1.26 -4.47 114.94 116.92 1n8r s ASN 80 Ca 0.68 -3.12 -0.26 0.00 0.04 0.00 0.00 52.86 50.20 1n8r s ASN 80 Cb -0.25 -2.30 0.08 0.00 -1.54 0.00 0.00 41.25 37.24 1n8r s ASN 80 CO 0.65 -0.56 0.84 -0.72 -3.04 0.00 0.00 177.10 174.27 1n8r s TYR 81 N 0.30 -0.30 -0.02 0.43 -0.85 -1.26 -4.58 117.35 111.07 1n8r s TYR 81 Ca 0.34 0.06 0.00 0.00 -0.52 0.00 0.00 57.07 56.95 1n8r s TYR 81 Cb -0.07 0.59 0.03 0.00 0.38 0.00 0.00 41.96 42.89 1n8r s TYR 81 CO -0.05 -0.75 0.01 -1.59 -1.52 0.00 0.00 175.55 171.64 1n8r s LYS 82 N -3.36 0.16 -0.11 -3.49 -2.85 -0.93 -0.40 119.74 108.77 1n8r s LYS 82 Ca 0.07 0.11 0.00 0.00 -1.00 0.00 0.00 55.97 55.16 1n8r s LYS 82 Cb -0.02 -0.37 -0.02 0.00 -2.06 0.00 0.00 37.83 35.37 1n8r s LYS 82 CO -0.05 -0.14 -0.11 0.12 0.10 0.00 0.00 175.35 175.28 1n8r s PHE 83 N 0.97 2.83 -0.03 1.78 5.36 -0.79 -0.47 117.98 127.62 1n8r s PHE 83 Ca -0.09 -0.39 0.01 0.00 -0.96 0.00 0.00 56.93 55.50 1n8r s PHE 83 Cb -0.13 -1.79 0.02 0.00 -0.34 0.00 0.00 43.02 40.78 1n8r s PHE 83 CO -0.02 -0.02 -0.03 1.03 -1.46 0.00 0.00 175.22 174.73 1n8r s ARG 84 N -0.07 0.52 -0.37 10.12 0.52 0.20 -1.20 118.95 128.67 1n8r s ARG 84 Ca -0.01 -0.04 -0.09 0.00 -0.52 0.00 0.00 55.73 55.06 1n8r s ARG 84 Cb -0.14 -0.59 0.05 0.00 0.52 0.00 0.00 34.95 34.79 1n8r s ARG 84 CO 0.03 -0.06 0.18 -1.50 0.02 0.00 0.00 175.30 173.97 1n8r s ILE 85 N 0.74 4.16 -0.99 1.52 2.07 -1.03 -0.40 121.20 127.28 1n8r s ILE 85 Ca -0.08 -1.12 0.29 0.00 -1.41 0.00 0.00 60.65 58.32 1n8r s ILE 85 Cb -0.12 -3.40 0.23 0.00 0.13 0.00 0.00 42.46 39.31 1n8r s ILE 85 CO -0.01 -0.29 1.91 -2.11 -1.91 0.00 0.00 174.94 172.53 1n8r n ARG 86 N 4.90 0.01 -3.96 3.50 1.85 -0.92 -4.86 116.66 117.18 1n8r n ARG 86 Ca -0.11 0.01 -0.31 0.00 -1.00 0.00 0.00 57.85 56.43 1n8r n ARG 86 Cb 0.45 -1.51 -0.05 0.00 -1.05 0.00 0.00 32.46 30.29 1n8r n ARG 86 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 1n8r s LYS 87 N -3.00 3.27 -0.02 2.89 -0.14 -1.26 -5.11 119.74 116.36 1n8r s LYS 87 Ca 0.14 -0.49 0.05 0.00 -1.36 0.00 0.00 55.97 54.31 1n8r s LYS 87 Cb 0.19 -2.96 -0.01 0.00 -1.68 0.00 0.00 37.83 33.37 1n8r s LYS 87 CO 0.54 0.61 -0.18 -0.06 -0.76 0.00 0.00 175.35 175.50 1n8r s PHE 88 N -1.43 1.70 -0.84 3.18 0.40 -1.26 -5.07 117.98 114.67 1n8r s PHE 88 Ca 0.31 -0.37 -0.25 0.00 -0.60 0.00 0.00 56.93 56.02 1n8r s PHE 88 Cb -0.13 -1.11 -0.03 0.00 0.51 0.00 0.00 43.02 42.26 1n8r s PHE 88 CO 0.24 -0.07 1.88 -1.25 0.70 0.00 0.00 175.22 176.72 1n8r s PRO 89 N -0.30 2.65 -0.10 0.24 0.04 -1.26 -4.54 135.00 131.73 1n8r s PRO 89 Ca 0.04 -0.14 0.18 0.00 0.04 0.00 0.00 61.00 61.12 1n8r s PRO 89 Cb -0.09 -4.91 -0.24 0.00 0.04 0.00 0.00 34.50 29.30 1n8r s PRO 89 CO 0.00 -3.13 0.37 1.19 0.04 0.00 0.00 177.00 175.47 1n8r n PHE 90 N 13.28 0.32 -2.43 0.56 3.01 -0.95 -4.52 117.46 126.74 1n8r n PHE 90 Ca 0.34 0.11 -0.41 0.00 1.01 0.00 0.00 57.45 58.51 1n8r n PHE 90 Cb 0.48 -0.95 -0.03 0.00 -0.01 0.00 0.00 39.48 38.98 1n8r n PHE 90 CO 0.00 0.00 0.00 -1.58 1.01 0.00 0.00 176.76 176.19 1n8r s HIS 91 N -2.78 2.24 0.23 1.38 2.46 -0.33 -4.52 115.29 113.97 1n8r s HIS 91 Ca -0.08 0.31 -0.30 0.00 0.47 0.00 0.00 55.06 55.46 1n8r s HIS 91 Cb 0.08 -4.46 -0.10 0.00 -0.13 0.00 0.00 32.58 27.98 1n8r s HIS 91 CO 0.84 -2.02 1.43 0.08 -2.47 0.00 0.00 174.74 172.60 1n8r s VAL 92 N 6.20 2.74 -0.06 0.89 1.01 -0.58 -0.94 120.40 129.66 1n8r s VAL 92 Ca 0.47 0.61 0.05 0.00 0.00 0.00 0.00 61.98 63.11 1n8r s VAL 92 Cb -0.10 -3.39 -0.01 0.00 0.00 0.00 0.00 36.38 32.88 1n8r s VAL 92 CO 0.21 0.09 -0.23 0.27 0.00 0.00 0.00 175.10 175.44 1n8r s ILE 93 N 0.10 1.91 0.57 2.22 -4.36 0.31 -4.78 121.20 117.16 1n8r s ILE 93 Ca 0.60 -0.98 0.07 0.00 -0.26 0.00 0.00 60.65 60.08 1n8r s ILE 93 Cb -0.41 -1.62 0.07 0.00 1.25 0.00 0.00 42.46 41.74 1n8r s ILE 93 CO 0.42 0.53 0.59 -0.13 0.24 0.00 0.00 174.94 176.58 1n8r s ARG 94 N -0.06 2.25 -0.21 0.37 0.52 -1.26 -1.16 118.95 119.41 1n8r s ARG 94 Ca -0.05 -1.89 -0.19 0.00 -0.52 0.00 0.00 55.73 53.08 1n8r s ARG 94 Cb -0.14 -2.32 0.05 0.00 0.52 0.00 0.00 34.95 33.06 1n8r s ARG 94 CO 0.04 -0.77 0.55 -2.00 0.02 0.00 0.00 175.30 173.13 1n8r s GLU 95 N -4.47 0.63 -1.17 3.54 2.12 -1.14 -4.82 118.70 113.39 1n8r s GLU 95 Ca 0.46 0.77 -0.09 0.00 0.36 0.00 0.00 54.97 56.47 1n8r s GLU 95 Cb -0.04 0.30 0.23 0.00 0.26 0.00 0.00 34.13 34.88 1n8r s GLU 95 CO 0.29 -0.08 1.47 -1.71 -0.54 0.00 0.00 175.26 174.69 1n8r n ASN 96 N 2.87 5.57 -4.21 -1.70 5.15 -1.26 -1.64 115.26 120.04 1n8r n ASN 96 Ca -0.14 -3.13 -0.44 0.00 -0.60 0.00 0.00 54.58 50.27 1n8r n ASN 96 Cb 0.56 -1.43 0.00 0.00 -0.53 0.00 0.00 39.78 38.39 1n8r n ASN 96 CO 0.00 0.00 0.00 2.29 1.40 0.00 0.00 177.26 180.95 1n8r n LYS 97 N 3.40 3.88 -0.02 1.20 2.85 -1.26 -5.03 118.16 123.18 1n8r n LYS 97 Ca 0.32 -4.42 0.00 0.00 -1.05 0.00 0.00 58.31 53.16 1n8r n LYS 97 Cb 0.38 -2.58 0.00 0.00 -0.65 0.00 0.00 35.03 32.17 1n8r n LYS 97 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1n8r n ASP 109 N 2.43 -0.85 0.00 -5.58 -0.08 -1.26 -4.95 116.55 106.25 1n8r n ASP 109 Ca 0.26 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.54 1n8r n ASP 109 Cb 0.37 0.36 0.00 0.00 2.34 0.00 0.00 41.12 44.19 1n8r n ASP 109 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1n8r n GLY 110 N 1.53 0.99 1.02 0.27 0.00 -1.26 -4.90 105.19 102.85 1n8r n GLY 110 Ca 0.00 0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.20 1n8r n GLY 110 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1n8r n MET 111 N 0.00 2.31 -2.73 1.61 2.81 -1.26 -4.75 117.12 115.12 1n8r n MET 111 Ca 0.00 -2.01 -0.39 0.00 -1.81 0.00 0.00 57.70 53.49 1n8r n MET 111 Cb 0.00 -1.47 -0.06 0.00 -0.71 0.00 0.00 33.22 30.98 1n8r n MET 111 CO 0.00 0.00 0.00 0.50 1.51 0.00 0.00 175.97 177.98 1n8r s ARG 112 N -1.42 4.69 -1.05 0.03 3.52 -1.26 -3.73 118.95 119.74 1n8r s ARG 112 Ca 0.38 1.45 -0.19 0.00 -0.13 0.00 0.00 55.73 57.24 1n8r s ARG 112 Cb 0.21 -3.04 0.03 0.00 -1.56 0.00 0.00 34.95 30.59 1n8r s ARG 112 CO 0.29 0.36 0.36 0.00 -0.81 0.00 0.00 175.30 175.50 1n8r n ALA 113 N 1.01 -2.12 1.54 6.12 0.00 -1.26 -4.83 120.51 120.96 1n8r n ALA 113 Ca 0.00 -0.43 0.15 0.00 0.00 0.00 0.00 53.44 53.16 1n8r n ALA 113 Cb 0.48 -1.55 0.78 0.00 0.00 0.00 0.00 19.45 19.16 1n8r n ALA 113 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1n8r n PRO 114 N -4.10 0.58 -1.58 0.00 -0.04 -1.24 -4.86 135.00 123.76 1n8r n PRO 114 Ca -0.14 -0.03 -0.48 0.00 -0.04 0.00 0.00 63.50 62.81 1n8r n PRO 114 Cb 0.48 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.39 1n8r n PRO 114 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1n8r n PHE 115 N -1.18 1.98 -0.17 0.54 7.35 -1.26 -4.61 117.46 120.11 1n8r n PHE 115 Ca 0.16 0.05 -0.10 0.00 -0.76 0.00 0.00 57.45 56.80 1n8r n PHE 115 Cb 0.22 -2.64 0.09 0.00 0.35 0.00 0.00 39.48 37.50 1n8r n PHE 115 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1n8r n GLY 116 N 5.53 -3.61 3.30 7.13 0.00 -1.26 -4.94 105.19 111.35 1n8r n GLY 116 Ca 0.31 -1.28 -0.32 0.00 0.00 0.00 0.00 46.02 44.73 1n8r n GLY 116 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n8r s LYS 117 N -3.68 2.46 -0.06 1.61 -2.85 -0.65 -4.77 119.74 111.79 1n8r s LYS 117 Ca 0.21 -0.88 -0.37 0.00 -1.00 0.00 0.00 55.97 53.93 1n8r s LYS 117 Cb -0.04 -2.17 -0.15 0.00 -2.06 0.00 0.00 37.83 33.41 1n8r s LYS 117 CO 0.18 0.45 1.57 -2.30 0.10 0.00 0.00 175.35 175.35 1n8r n PRO 118 N 2.77 1.36 0.00 1.78 -0.02 -1.26 -2.87 135.00 136.76 1n8r n PRO 118 Ca -0.17 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 1n8r n PRO 118 Cb 0.52 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 1n8r n PRO 118 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1n8r n VAL 119 N 3.67 0.00 -3.76 -1.45 0.24 -0.31 -4.82 118.33 111.91 1n8r n VAL 119 Ca 0.22 -0.14 0.00 0.00 -2.04 0.00 0.00 64.34 62.37 1n8r n VAL 119 Cb 0.19 0.62 0.00 0.00 -1.47 0.00 0.00 33.84 33.17 1n8r n VAL 119 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1n8r n GLY 120 N 1.65 0.72 3.00 7.63 0.00 -0.90 -4.82 105.19 112.48 1n8r n GLY 120 Ca 0.00 -0.83 -0.10 0.00 0.00 0.00 0.00 46.02 45.09 1n8r n GLY 120 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1n8r s THR 121 N -2.19 0.10 0.09 2.61 -4.23 -1.26 -0.53 115.64 110.22 1n8r s THR 121 Ca 0.00 -0.79 -0.04 0.00 -1.18 0.00 0.00 61.69 59.68 1n8r s THR 121 Cb 0.00 -0.28 -0.03 0.00 1.34 0.00 0.00 72.50 73.53 1n8r s THR 121 CO 0.00 -0.44 0.07 0.00 -0.54 0.00 0.00 174.62 173.72 1n8r s ALA 122 N -1.33 0.36 -0.16 3.99 0.00 -0.12 -0.93 121.76 123.56 1n8r s ALA 122 Ca -0.15 -1.09 -0.04 0.00 0.00 0.00 0.00 51.96 50.68 1n8r s ALA 122 Cb -0.09 0.51 -0.03 0.00 0.00 0.00 0.00 23.12 23.51 1n8r s ALA 122 CO -0.00 -0.46 -0.02 0.00 0.00 0.00 0.00 175.76 175.28 1n8r s ALA 123 N -3.94 3.07 -0.36 0.00 0.00 0.58 -1.18 121.76 119.93 1n8r s ALA 123 Ca 0.11 -0.81 -0.23 0.00 0.00 0.00 0.00 51.96 51.02 1n8r s ALA 123 Cb 0.07 -1.63 0.01 0.00 0.00 0.00 0.00 23.12 21.57 1n8r s ALA 123 CO -0.07 0.19 0.80 1.03 0.00 0.00 0.00 175.76 177.71 1n8r s ARG 124 N 0.39 3.77 -0.12 0.00 0.52 -1.26 -1.00 118.95 121.24 1n8r s ARG 124 Ca -0.03 0.35 0.01 0.00 -0.52 0.00 0.00 55.73 55.54 1n8r s ARG 124 Cb -0.14 -3.80 -0.01 0.00 0.52 0.00 0.00 34.95 31.51 1n8r s ARG 124 CO 0.02 -0.85 -0.15 0.08 0.02 0.00 0.00 175.30 174.42 1n8r s VAL 125 N 3.13 2.89 0.08 3.52 1.01 -0.08 -4.98 120.40 125.97 1n8r s VAL 125 Ca 0.32 -0.72 -0.15 0.00 0.00 0.00 0.00 61.98 61.42 1n8r s VAL 125 Cb -0.13 -2.19 -0.06 0.00 0.00 0.00 0.00 36.38 33.99 1n8r s VAL 125 CO 0.17 0.53 0.50 -1.00 0.00 0.00 0.00 175.10 175.30 1n8r s HIS 126 N 0.30 3.69 0.05 5.22 3.76 -1.26 -0.58 115.29 126.47 1n8r s HIS 126 Ca -0.11 1.07 -0.38 0.00 -0.15 0.00 0.00 55.06 55.49 1n8r s HIS 126 Cb -0.16 -2.36 -0.18 0.00 1.11 0.00 0.00 32.58 30.99 1n8r s HIS 126 CO 0.06 0.54 1.22 0.41 -0.85 0.00 0.00 174.74 176.12 1n8r n GLY 127 N 1.35 0.13 1.10 -2.22 0.00 -1.25 -1.65 105.19 102.66 1n8r n GLY 127 Ca -0.09 0.72 0.00 0.00 0.00 0.00 0.00 46.02 46.64 1n8r n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n8r n ALA 128 N 2.05 0.00 -2.07 4.61 0.00 0.40 -4.86 120.51 120.64 1n8r n ALA 128 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.34 1n8r n ALA 128 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.60 1n8r n ALA 128 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1n8r s ASN 129 N -2.87 6.25 -0.17 0.00 0.02 -0.66 -4.83 114.94 112.68 1n8r s ASN 129 Ca 0.00 1.18 -0.07 0.00 -1.02 0.00 0.00 52.86 52.94 1n8r s ASN 129 Cb 0.00 -2.36 -0.04 0.00 0.02 0.00 0.00 41.25 38.87 1n8r s ASN 129 CO 0.00 -0.72 0.07 -1.38 0.02 0.00 0.00 177.10 175.09 1n8r s HIS 130 N -2.95 3.29 -0.09 2.20 -3.43 -1.26 -1.91 115.29 111.14 1n8r s HIS 130 Ca 0.51 0.14 0.15 0.00 -0.80 0.00 0.00 55.06 55.06 1n8r s HIS 130 Cb -0.11 -2.06 -0.23 0.00 -1.43 0.00 0.00 32.58 28.75 1n8r s HIS 130 CO 0.49 0.23 0.49 1.51 -2.00 0.00 0.00 174.74 175.46 1n8r n ILE 131 N 3.35 1.50 -4.75 -5.38 3.06 -0.09 -4.74 119.36 112.30 1n8r n ILE 131 Ca -0.17 -0.81 -0.24 0.00 -2.50 0.00 0.00 62.75 59.04 1n8r n ILE 131 Cb 0.52 -0.84 -0.15 0.00 0.54 0.00 0.00 39.64 39.72 1n8r n ILE 131 CO 0.00 0.00 0.00 -0.36 -2.50 0.00 0.00 176.55 173.69 1n8r s PHE 132 N -2.59 1.45 -0.06 9.51 2.99 -1.21 -2.15 117.98 125.91 1n8r s PHE 132 Ca -0.06 -0.28 -0.03 0.00 0.00 0.00 0.00 56.93 56.57 1n8r s PHE 132 Cb 0.07 -0.93 0.04 0.00 0.00 0.00 0.00 43.02 42.20 1n8r s PHE 132 CO 0.83 -0.02 0.11 0.42 -0.00 0.00 0.00 175.22 176.56 1n8r s ILE 133 N -0.40 -0.16 0.31 0.64 -1.09 0.47 0.05 121.20 121.01 1n8r s ILE 133 Ca 0.06 0.34 0.10 0.00 -2.23 0.00 0.00 60.65 58.93 1n8r s ILE 133 Cb -0.06 -0.22 -0.05 0.00 -1.58 0.00 0.00 42.46 40.55 1n8r s ILE 133 CO -0.01 0.14 -0.06 0.00 -1.23 0.00 0.00 174.94 173.79 1n8r s ALA 134 N 1.99 3.05 -0.07 9.38 0.00 -0.59 0.61 121.76 136.12 1n8r s ALA 134 Ca 0.01 -1.87 0.00 0.00 0.00 0.00 0.00 51.96 50.10 1n8r s ALA 134 Cb -0.12 -0.42 0.02 0.00 0.00 0.00 0.00 23.12 22.60 1n8r s ALA 134 CO -0.05 0.18 -0.05 -1.58 0.00 0.00 0.00 175.76 174.26 1n8r s TRP 135 N -2.47 1.00 0.08 0.00 0.51 0.38 -2.73 118.94 115.70 1n8r s TRP 135 Ca 0.32 -0.37 -0.03 0.00 -2.12 0.00 0.00 56.10 53.90 1n8r s TRP 135 Cb -0.03 -0.89 -0.03 0.00 -0.81 0.00 0.00 33.47 31.71 1n8r s TRP 135 CO 0.18 -0.31 0.06 0.54 -0.51 0.00 0.00 176.95 176.90 1n8r s VAL 136 N 1.33 0.17 0.53 4.03 0.11 -0.79 -2.19 120.40 123.60 1n8r s VAL 136 Ca -0.04 -1.65 -0.01 0.00 -2.93 0.00 0.00 61.98 57.36 1n8r s VAL 136 Cb -0.14 -1.58 0.02 0.00 -1.53 0.00 0.00 36.38 33.15 1n8r s VAL 136 CO -0.03 -0.79 0.77 0.20 -3.33 0.00 0.00 175.10 171.93 1n8r s ASN 137 N -2.93 5.46 -0.50 3.54 0.01 -1.26 -1.15 114.94 118.10 1n8r s ASN 137 Ca 0.10 0.21 -0.13 0.00 -0.71 0.00 0.00 52.86 52.33 1n8r s ASN 137 Cb 0.07 -1.21 -0.12 0.00 0.41 0.00 0.00 41.25 40.40 1n8r s ASN 137 CO -0.08 -1.03 1.52 -2.65 -1.51 0.00 0.00 177.10 173.36 1n8r n PRO 138 N -2.33 0.04 -2.71 -0.60 -0.02 -1.26 -4.22 135.00 123.90 1n8r n PRO 138 Ca 0.05 -0.82 -0.07 0.00 -2.02 0.00 0.00 63.50 60.64 1n8r n PRO 138 Cb 0.59 -2.41 0.09 0.00 -0.02 0.00 0.00 33.50 31.75 1n8r n PRO 138 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1n8r n ASP 139 N 11.84 -2.00 -4.57 2.55 2.03 -1.26 -5.09 116.55 120.04 1n8r n ASP 139 Ca 0.20 -2.99 -0.29 0.00 0.52 0.00 0.00 54.79 52.23 1n8r n ASP 139 Cb 0.48 1.53 -0.05 0.00 -0.72 0.00 0.00 41.12 42.35 1n8r n ASP 139 CO 0.00 0.00 0.00 -2.84 -1.92 0.00 0.00 177.20 172.44 1n8r s PRO 140 N 0.20 2.67 -0.02 -0.67 0.02 -1.26 -4.34 135.00 131.61 1n8r s PRO 140 Ca 0.21 -0.92 0.19 0.00 0.02 0.00 0.00 61.00 60.49 1n8r s PRO 140 Cb 0.30 -5.21 -0.26 0.00 0.02 0.00 0.00 34.50 29.36 1n8r s PRO 140 CO -0.08 -3.58 0.54 0.09 -0.33 0.00 0.00 177.00 173.65 1n8r n ASN 141 N 13.58 0.74 -0.19 2.53 3.02 -1.26 -4.12 115.26 129.56 1n8r n ASN 141 Ca 0.43 -0.33 -0.05 0.00 -0.03 0.00 0.00 54.58 54.60 1n8r n ASN 141 Cb 0.47 1.56 0.13 0.00 -0.61 0.00 0.00 39.78 41.33 1n8r n ASN 141 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 1n8r h VAL 142 N 0.00 1.24 -0.29 2.41 3.04 -1.98 -0.82 116.25 119.85 1n8r h VAL 142 Ca 0.00 -0.89 0.08 0.00 -1.01 0.00 0.00 66.70 64.89 1n8r h VAL 142 Cb 0.71 0.60 -0.01 0.00 -2.01 0.00 0.00 31.29 30.58 1n8r h VAL 142 CO 0.00 0.34 0.23 -0.33 -1.01 0.00 0.00 177.57 176.79 1n8r h GLU 143 N 0.93 0.00 0.03 4.17 5.08 -1.94 0.39 114.58 123.25 1n8r h GLU 143 Ca 0.20 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.29 1n8r h GLU 143 Cb 0.32 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 1n8r h GLU 143 CO -0.00 0.00 -1.41 1.49 -1.00 0.00 0.00 179.01 178.09 1n8r h GLU 144 N 0.00 0.07 0.00 2.33 4.57 -1.48 -3.07 114.58 116.99 1n8r h GLU 144 Ca 0.14 -0.12 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1n8r h GLU 144 Cb 0.59 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.22 1n8r h GLU 144 CO -0.00 0.85 0.00 0.00 -1.18 0.00 0.00 179.01 178.68 1n8r h ALA 145 N 0.86 1.00 0.00 2.92 0.00 0.10 -2.62 119.26 121.52 1n8r h ALA 145 Ca -0.17 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.56 1n8r h ALA 145 Cb 1.92 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.68 1n8r h ALA 145 CO 0.12 0.00 -2.08 0.91 0.00 0.00 0.00 179.25 178.20 1n8r n TRP 146 N -2.51 0.14 0.17 0.00 8.01 -0.42 -2.61 117.44 120.22 1n8r n TRP 146 Ca -0.00 0.05 0.04 0.00 -1.31 0.00 0.00 57.50 56.27 1n8r n TRP 146 Cb 0.15 -0.80 0.44 0.00 -2.01 0.00 0.00 31.31 29.09 1n8r n TRP 146 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.69 176.59 1n8r h ARG 147 N 0.00 0.11 0.00 -0.99 2.43 -1.37 -1.07 114.38 113.48 1n8r h ARG 147 Ca -0.26 -0.02 -0.23 0.00 -0.81 0.00 0.00 59.98 58.66 1n8r h ARG 147 Cb 1.61 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 31.11 1n8r h ARG 147 CO 0.02 0.29 -1.19 0.00 -1.51 0.00 0.00 179.97 177.58 1n8r h ARG 148 N 0.10 0.00 -0.07 0.20 3.08 -1.63 -3.32 114.38 112.74 1n8r h ARG 148 Ca 0.02 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.04 1n8r h ARG 148 Cb 0.37 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.42 1n8r h ARG 148 CO 0.02 0.85 -0.08 0.00 -1.07 0.00 0.00 179.97 179.70 1n8r h ALA 149 N 1.01 0.10 0.00 0.04 0.00 -0.99 -3.04 119.26 116.39 1n8r h ALA 149 Ca -0.09 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1n8r h ALA 149 Cb 1.83 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.60 1n8r h ALA 149 CO 0.11 -0.08 0.00 0.36 0.00 0.00 0.00 179.25 179.65 1n8r n LYS 150 N -4.70 0.74 0.11 0.00 0.00 -0.58 -1.76 118.16 111.97 1n8r n LYS 150 Ca -0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 58.31 58.23 1n8r n LYS 150 Cb 0.31 -1.36 -0.03 0.00 -0.00 0.00 0.00 35.03 33.96 1n8r n LYS 150 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.40 179.38 1n8r h MET 151 N 0.00 0.00 -0.26 -1.58 4.05 -1.62 -3.32 114.93 112.20 1n8r h MET 151 Ca 0.00 0.00 -0.07 0.00 -0.28 0.00 0.00 59.70 59.35 1n8r h MET 151 Cb 0.00 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 30.76 1n8r h MET 151 CO 0.00 0.62 -0.05 1.63 0.23 0.00 0.00 176.91 179.34 1n8r n LYS 152 N -3.23 2.22 -4.28 0.39 5.02 -0.72 -4.96 118.16 112.61 1n8r n LYS 152 Ca 0.00 -2.96 -0.18 0.00 -2.02 0.00 0.00 58.31 53.15 1n8r n LYS 152 Cb 0.81 -1.78 -0.15 0.00 -0.02 0.00 0.00 35.03 33.89 1n8r n LYS 152 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1n8r s VAL 153 N -3.02 0.59 0.22 -0.18 -7.23 -1.25 -4.56 120.40 104.96 1n8r s VAL 153 Ca 0.42 -0.31 -0.17 0.00 -1.81 0.00 0.00 61.98 60.10 1n8r s VAL 153 Cb 0.36 -0.50 0.23 0.00 0.56 0.00 0.00 36.38 37.03 1n8r s VAL 153 CO 0.04 0.17 1.56 0.74 -0.31 0.00 0.00 175.10 177.30 1n8r h THR 154 N 4.99 0.05 -4.07 5.32 2.02 -1.92 -3.45 112.91 115.86 1n8r h THR 154 Ca -0.30 0.00 -0.48 0.00 0.77 0.00 0.00 66.41 66.40 1n8r h THR 154 Cb 1.18 0.05 0.15 0.00 -1.74 0.00 0.00 68.15 67.80 1n8r h THR 154 CO 0.50 0.00 0.25 -2.16 0.37 0.00 0.00 175.52 174.48 1n8r s PRO 155 N -6.00 1.23 0.38 6.66 0.04 -1.26 -5.03 135.00 131.02 1n8r s PRO 155 Ca -0.14 0.82 -0.15 0.00 0.04 0.00 0.00 61.00 61.57 1n8r s PRO 155 Cb 0.20 -1.81 -0.08 0.00 0.04 0.00 0.00 34.50 32.85 1n8r s PRO 155 CO 0.71 -2.26 0.81 0.99 0.04 0.00 0.00 177.00 177.29 1n8r s THR 156 N -2.93 4.65 0.12 1.26 2.01 -1.26 -4.94 115.64 114.55 1n8r s THR 156 Ca 0.63 0.96 0.01 0.00 0.31 0.00 0.00 61.69 63.60 1n8r s THR 156 Cb -0.18 -3.66 -0.04 0.00 0.01 0.00 0.00 72.50 68.63 1n8r s THR 156 CO 0.57 -0.36 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.49 1n8r s ILE 157 N -2.20 0.51 -0.19 1.82 1.01 -1.26 -1.99 121.20 118.90 1n8r s ILE 157 Ca 0.55 -1.93 -0.01 0.00 0.00 0.00 0.00 60.65 59.26 1n8r s ILE 157 Cb -0.10 -1.87 0.01 0.00 0.01 0.00 0.00 42.46 40.51 1n8r s ILE 157 CO 0.22 -0.69 -0.14 0.21 0.00 0.00 0.00 174.94 174.55 1n8r s ASN 158 N -3.07 3.61 -0.58 3.58 3.84 -0.05 -4.95 114.94 117.32 1n8r s ASN 158 Ca 0.17 -0.53 -0.21 0.00 0.21 0.00 0.00 52.86 52.49 1n8r s ASN 158 Cb 0.06 -1.58 0.07 0.00 -0.55 0.00 0.00 41.25 39.25 1n8r s ASN 158 CO -0.02 0.00 0.82 -0.63 -2.79 0.00 0.00 177.10 174.49 1n8r s ILE 159 N 1.29 4.57 -0.16 -5.21 1.01 -1.26 -0.77 121.20 120.68 1n8r s ILE 159 Ca 0.04 -0.36 -0.06 0.00 0.00 0.00 0.00 60.65 60.27 1n8r s ILE 159 Cb -0.14 -4.51 -0.04 0.00 0.01 0.00 0.00 42.46 37.78 1n8r s ILE 159 CO -0.08 -1.15 0.03 -0.62 0.00 0.00 0.00 174.94 173.13 1n8r s ASP 160 N 3.21 5.42 -0.14 3.58 -1.08 -0.40 -4.95 116.67 122.31 1n8r s ASP 160 Ca 0.20 0.05 -0.06 0.00 -0.52 0.00 0.00 52.55 52.22 1n8r s ASP 160 Cb -0.18 -1.88 -0.04 0.00 -1.46 0.00 0.00 42.92 39.37 1n8r s ASP 160 CO 0.12 0.20 0.08 -0.55 0.52 0.00 0.00 175.17 175.54 1n8r s SER 161 N 0.19 5.83 0.00 -0.34 0.15 -1.26 0.83 113.70 119.10 1n8r s SER 161 Ca 0.03 0.24 0.00 0.00 0.70 0.00 0.00 55.95 56.91 1n8r s SER 161 Cb -0.13 -1.89 0.00 0.00 -1.71 0.00 0.00 66.02 62.29 1n8r s SER 161 CO 0.01 0.30 0.00 -1.20 1.20 0.00 0.00 173.24 173.55 1n8r n SER 162 N 2.70 0.00 -4.56 5.45 7.64 0.61 -4.87 113.62 120.58 1n8r n SER 162 Ca -0.18 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.30 1n8r n SER 162 Cb 0.53 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.71 1n8r n SER 162 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 1n8r s PRO 163 N 0.65 2.81 0.00 1.43 0.02 -1.26 -4.69 135.00 133.96 1n8r s PRO 163 Ca 0.00 0.78 0.00 0.00 0.02 0.00 0.00 61.00 61.80 1n8r s PRO 163 Cb 0.00 -4.33 0.00 0.00 0.02 0.00 0.00 34.50 30.19 1n8r s PRO 163 CO 0.00 -2.50 0.00 0.00 -0.33 0.00 0.00 177.00 174.17 1n8r n ALA 164 N 12.06 0.00 -0.62 -1.55 0.00 -1.26 -2.90 120.51 126.24 1n8r n ALA 164 Ca 0.21 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.47 1n8r n ALA 164 Cb 0.51 0.00 0.12 0.00 0.00 0.00 0.00 19.45 20.08 1n8r n ALA 164 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n8r n GLY 165 N 0.00 3.86 2.70 0.00 0.00 -1.26 -4.51 105.19 105.97 1n8r n GLY 165 Ca 0.00 -0.84 -0.39 0.00 0.00 0.00 0.00 46.02 44.79 1n8r n GLY 165 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1n8r n ASN 166 N -0.64 6.92 -0.78 1.61 5.03 -1.26 -5.27 115.26 120.87 1n8r n ASN 166 Ca 0.43 -3.67 0.13 0.00 0.87 0.00 0.00 54.58 52.34 1n8r n ASN 166 Cb 1.29 -1.10 0.26 0.00 -1.02 0.00 0.00 39.78 39.21 1n8r n ASN 166 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43