#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k8a s PRO 2 N 0.00 3.14 0.36 1.97 0.02 -1.26 -4.97 135.00 134.25 1k8a s PRO 2 Ca 0.00 1.57 0.09 0.00 0.02 0.00 0.00 61.00 62.68 1k8a s PRO 2 Cb 0.00 -1.98 0.67 0.00 0.02 0.00 0.00 34.50 33.21 1k8a s PRO 2 CO 0.00 -1.02 1.84 0.78 -0.33 0.00 0.00 177.00 178.27 1k8a h GLY 3 N 0.80 0.24 -0.63 0.52 0.00 -2.01 -2.73 103.07 99.26 1k8a h GLY 3 Ca -0.49 -0.18 0.36 0.00 0.00 0.00 0.00 47.33 47.03 1k8a h GLY 3 CO 0.56 0.16 0.85 0.00 0.00 0.00 0.00 176.54 178.11 1k8a h ALA 4 N 1.56 2.81 0.00 3.60 0.00 -2.00 0.26 119.26 125.49 1k8a h ALA 4 Ca 0.03 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1k8a h ALA 4 Cb 0.53 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1k8a h ALA 4 CO 0.04 -1.26 -0.10 0.52 0.00 0.00 0.00 179.25 178.44 1k8a h MET 5 N 0.15 0.00 0.00 0.00 2.86 -1.88 -3.38 114.93 112.68 1k8a h MET 5 Ca 0.67 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.31 1k8a h MET 5 Cb 2.24 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.90 1k8a h MET 5 CO -0.20 0.10 0.00 0.66 1.06 0.00 0.00 176.91 178.53 1k8a n TYR 6 N -3.20 0.00 0.86 -0.22 4.02 0.79 -4.87 117.16 114.54 1k8a n TYR 6 Ca 0.01 -0.06 0.11 0.00 -0.01 0.00 0.00 57.90 57.95 1k8a n TYR 6 Cb 0.40 -0.01 0.50 0.00 -0.02 0.00 0.00 39.34 40.22 1k8a n TYR 6 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 176.86 178.74 1k8a n ARG 7 N -0.06 0.12 -3.79 -0.72 1.85 -0.43 -4.57 116.66 109.07 1k8a n ARG 7 Ca 0.00 0.11 -0.30 0.00 -1.00 0.00 0.00 57.85 56.66 1k8a n ARG 7 Cb 0.31 -1.50 -0.04 0.00 -1.05 0.00 0.00 32.46 30.18 1k8a n ARG 7 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 1k8a s ASN 8 N -2.84 6.40 -0.80 2.89 0.02 -1.26 -1.96 114.94 117.39 1k8a s ASN 8 Ca 0.14 0.38 -0.01 0.00 -1.02 0.00 0.00 52.86 52.35 1k8a s ASN 8 Cb 0.14 -2.00 0.37 0.00 0.02 0.00 0.00 41.25 39.78 1k8a s ASN 8 CO 0.37 0.06 1.97 -1.20 0.02 0.00 0.00 177.10 178.33 1k8a n SER 9 N -0.12 7.36 0.02 -1.22 7.64 -1.26 -4.63 113.62 121.41 1k8a n SER 9 Ca -0.04 -3.83 0.12 0.00 1.01 0.00 0.00 58.87 56.13 1k8a n SER 9 Cb 0.52 -1.02 0.18 0.00 -1.01 0.00 0.00 64.21 62.88 1k8a n SER 9 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1k8a n SER 10 N -0.58 0.59 -4.95 6.43 3.41 -1.26 -4.93 113.62 112.34 1k8a n SER 10 Ca 0.54 -0.15 -0.23 0.00 -0.26 0.00 0.00 58.87 58.76 1k8a n SER 10 Cb 0.31 0.34 0.00 0.00 -0.26 0.00 0.00 64.21 64.60 1k8a n SER 10 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1k8a s LYS 11 N -3.08 3.24 0.83 4.33 1.02 -1.26 -5.07 119.74 119.75 1k8a s LYS 11 Ca 0.08 -0.41 -0.12 0.00 0.02 0.00 0.00 55.97 55.55 1k8a s LYS 11 Cb 0.16 -2.59 0.10 0.00 -0.52 0.00 0.00 37.83 34.97 1k8a s LYS 11 CO 0.73 -0.11 1.15 -2.14 -0.92 0.00 0.00 175.35 174.06 1k8a s PRO 12 N -4.47 1.62 0.21 -1.68 0.02 -1.26 -4.92 135.00 124.51 1k8a s PRO 12 Ca 0.45 1.52 -0.30 0.00 0.02 0.00 0.00 61.00 62.69 1k8a s PRO 12 Cb -0.10 -1.80 -0.09 0.00 0.02 0.00 0.00 34.50 32.54 1k8a s PRO 12 CO 0.37 -2.18 1.29 0.00 -0.33 0.00 0.00 177.00 176.15 1k8a s ALA 13 N -2.53 3.51 -0.36 -1.55 0.00 -1.26 -4.96 121.76 114.61 1k8a s ALA 13 Ca 0.67 1.09 0.00 0.00 0.00 0.00 0.00 51.96 53.73 1k8a s ALA 13 Cb -0.23 -3.47 0.11 0.00 0.00 0.00 0.00 23.12 19.54 1k8a s ALA 13 CO 0.54 -0.51 0.15 -0.47 0.00 0.00 0.00 175.76 175.47 1k8a s TYR 14 N -0.02 1.83 0.00 0.00 5.04 -1.26 -4.92 117.35 118.03 1k8a s TYR 14 Ca 0.55 -2.02 0.00 0.00 -2.44 0.00 0.00 57.07 53.16 1k8a s TYR 14 Cb -0.36 -1.78 0.00 0.00 0.35 0.00 0.00 41.96 40.17 1k8a s TYR 14 CO 0.39 -0.85 0.00 0.25 -1.34 0.00 0.00 175.55 174.00 1k8a n THR 15 N 4.33 0.00 -2.07 4.34 -2.24 -1.26 -1.25 114.28 116.13 1k8a n THR 15 Ca 0.03 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.48 1k8a n THR 15 Cb 0.39 1.26 -0.04 0.00 -2.10 0.00 0.00 70.33 69.84 1k8a n THR 15 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1k8a s ARG 16 N 0.00 2.63 0.52 -0.78 1.81 -1.26 -4.79 118.95 117.07 1k8a s ARG 16 Ca 0.00 0.06 0.35 0.00 -1.72 0.00 0.00 55.73 54.42 1k8a s ARG 16 Cb 0.00 -4.77 1.81 0.00 -0.45 0.00 0.00 34.95 31.54 1k8a s ARG 16 CO 0.00 -3.05 2.06 0.00 -0.68 0.00 0.00 175.30 173.63 1k8a h ARG 17 N 12.76 0.00 0.00 3.54 3.08 -1.96 0.22 114.38 132.02 1k8a h ARG 17 Ca -0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1k8a h ARG 17 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.12 1k8a h ARG 17 CO 1.22 0.00 0.00 1.05 -1.07 0.00 0.00 179.97 181.17 1k8a h GLU 18 N 0.00 0.00 0.00 0.04 9.09 -2.05 -2.97 114.58 118.69 1k8a h GLU 18 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1k8a h GLU 18 Cb 0.09 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.19 1k8a h GLU 18 CO 0.00 0.00 0.00 0.66 0.05 0.00 0.00 179.01 179.72 1k8a n TYR 19 N -2.46 0.00 -4.29 2.06 4.02 0.01 -5.00 117.16 111.49 1k8a n TYR 19 Ca 0.02 -0.27 -0.21 0.00 -0.01 0.00 0.00 57.90 57.43 1k8a n TYR 19 Cb 0.27 -0.03 -0.16 0.00 -0.02 0.00 0.00 39.34 39.40 1k8a n TYR 19 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1k8a s ILE 20 N -0.55 0.70 0.31 -0.72 1.01 -0.86 -5.06 121.20 116.03 1k8a s ILE 20 Ca 0.00 -0.23 0.06 0.00 0.00 0.00 0.00 60.65 60.48 1k8a s ILE 20 Cb 0.00 -0.68 -0.06 0.00 0.01 0.00 0.00 42.46 41.73 1k8a s ILE 20 CO 0.00 0.26 -0.02 -0.94 0.00 0.00 0.00 174.94 174.23 1k8a s SER 21 N 0.77 2.90 -0.84 3.58 1.04 -1.26 -4.62 113.70 115.27 1k8a s SER 21 Ca -0.12 -1.26 -0.04 0.00 0.48 0.00 0.00 55.95 55.01 1k8a s SER 21 Cb -0.14 -0.19 0.00 0.00 0.10 0.00 0.00 66.02 65.79 1k8a s SER 21 CO 0.01 -0.41 0.50 0.61 0.98 0.00 0.00 173.24 174.94 1k8a n GLY 22 N -0.68 0.04 3.72 7.32 0.00 -1.26 -4.81 105.19 109.52 1k8a n GLY 22 Ca -0.05 -0.21 -0.39 0.00 0.00 0.00 0.00 46.02 45.37 1k8a n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1k8a s ILE 23 N -3.03 5.06 0.51 -0.61 1.01 -1.26 -4.74 121.20 118.14 1k8a s ILE 23 Ca 0.25 1.38 -0.22 0.00 0.00 0.00 0.00 60.65 62.06 1k8a s ILE 23 Cb -0.11 -4.01 -0.06 0.00 0.01 0.00 0.00 42.46 38.29 1k8a s ILE 23 CO 0.31 0.26 1.29 -2.84 0.00 0.00 0.00 174.94 173.96 1k8a s PRO 24 N 0.80 3.36 0.73 2.79 0.02 -1.26 -4.98 135.00 136.46 1k8a s PRO 24 Ca 0.36 2.07 -0.14 0.00 0.02 0.00 0.00 61.00 63.31 1k8a s PRO 24 Cb -0.17 -2.31 0.04 0.00 0.02 0.00 0.00 34.50 32.08 1k8a s PRO 24 CO 0.17 -0.96 1.16 0.20 -0.33 0.00 0.00 177.00 177.24 1k8a s GLY 25 N -1.10 2.15 0.28 0.52 0.00 -1.26 -4.83 107.32 103.09 1k8a s GLY 25 Ca 0.69 0.68 -0.28 0.00 0.00 0.00 0.00 44.72 45.81 1k8a s GLY 25 CO 0.43 1.07 0.94 1.25 0.00 0.00 0.00 173.10 176.79 1k8a s LYS 26 N -4.14 4.71 0.00 2.90 2.20 -1.26 -4.96 119.74 119.19 1k8a s LYS 26 Ca 0.70 1.41 0.28 0.00 -0.36 0.00 0.00 55.97 58.00 1k8a s LYS 26 Cb -0.24 -3.03 1.02 0.00 -1.51 0.00 0.00 37.83 34.07 1k8a s LYS 26 CO 0.46 0.39 1.73 1.63 -0.36 0.00 0.00 175.35 179.20 1k8a n LYS 27 N 1.00 0.93 -2.19 4.03 5.02 -1.26 -4.83 118.16 120.86 1k8a n LYS 27 Ca 0.00 -0.46 -0.43 0.00 -2.02 0.00 0.00 58.31 55.40 1k8a n LYS 27 Cb 0.49 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 33.98 1k8a n LYS 27 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1k8a s ILE 28 N -2.39 3.81 -0.01 -0.18 1.01 -1.26 -4.80 121.20 117.39 1k8a s ILE 28 Ca 0.29 0.92 -0.24 0.00 0.00 0.00 0.00 60.65 61.63 1k8a s ILE 28 Cb 0.20 -3.80 -0.16 0.00 0.01 0.00 0.00 42.46 38.71 1k8a s ILE 28 CO 0.47 -0.31 1.13 0.00 0.00 0.00 0.00 174.94 176.23 1k8a h ALA 29 N 10.23 -0.40 -2.43 9.38 0.00 -1.94 -3.47 119.26 130.63 1k8a h ALA 29 Ca -0.32 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.26 1k8a h ALA 29 Cb 1.14 0.15 -0.14 0.00 0.00 0.00 0.00 17.79 18.94 1k8a h ALA 29 CO 1.00 -0.52 -0.55 -0.65 0.00 0.00 0.00 179.25 178.53 1k8a s GLN 30 N -4.36 0.87 -0.02 0.00 -0.21 -1.26 -5.04 119.66 109.64 1k8a s GLN 30 Ca -0.14 -1.25 0.04 0.00 0.02 0.00 0.00 55.36 54.03 1k8a s GLN 30 Cb 0.02 0.27 -0.06 0.00 1.00 0.00 0.00 33.01 34.24 1k8a s GLN 30 CO 0.51 -0.25 0.07 1.19 -2.12 0.00 0.00 175.29 174.69 1k8a n PHE 31 N -0.05 0.00 -4.13 0.91 3.01 -1.26 -4.91 117.46 111.03 1k8a n PHE 31 Ca -0.10 0.00 -0.34 0.00 1.01 0.00 0.00 57.45 58.02 1k8a n PHE 31 Cb 0.63 -0.12 -0.14 0.00 -0.01 0.00 0.00 39.48 39.83 1k8a n PHE 31 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1k8a s ASP 32 N -2.77 4.23 0.28 4.37 1.01 -1.26 -2.59 116.67 119.93 1k8a s ASP 32 Ca -0.02 -0.37 0.06 0.00 0.71 0.00 0.00 52.55 52.94 1k8a s ASP 32 Cb 0.02 -1.70 -0.06 0.00 1.01 0.00 0.00 42.92 42.19 1k8a s ASP 32 CO 0.17 0.03 -0.06 -0.04 0.21 0.00 0.00 175.17 175.48 1k8a s MET 33 N 1.15 1.54 3.54 8.23 -1.94 -0.15 -4.96 119.30 126.71 1k8a s MET 33 Ca 0.02 -1.78 0.00 0.00 -1.71 0.00 0.00 55.69 52.22 1k8a s MET 33 Cb -0.14 -1.12 0.00 0.00 2.01 0.00 0.00 34.83 35.57 1k8a s MET 33 CO -0.01 0.03 0.00 0.41 -0.01 0.00 0.00 175.02 175.44 1k8a n GLY 34 N -0.57 0.02 3.53 -0.03 0.00 -1.26 -1.45 105.19 105.43 1k8a n GLY 34 Ca -0.05 -1.01 -0.43 0.00 0.00 0.00 0.00 46.02 44.52 1k8a n GLY 34 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1k8a s ASN 35 N -4.00 6.90 0.00 1.61 0.01 0.51 -4.73 114.94 115.24 1k8a s ASN 35 Ca 0.00 -2.58 0.24 0.00 -0.71 0.00 0.00 52.86 49.81 1k8a s ASN 35 Cb 0.00 -2.51 1.25 0.00 0.41 0.00 0.00 41.25 40.41 1k8a s ASN 35 CO 0.00 -1.03 1.80 -0.46 -1.51 0.00 0.00 177.10 175.91 1k8a n ASN 36 N 7.34 0.00 0.09 -1.22 0.23 -1.26 -2.41 115.26 118.02 1k8a n ASN 36 Ca 0.43 -0.16 -0.07 0.00 -0.53 0.00 0.00 54.58 54.24 1k8a n ASN 36 Cb 0.45 -0.24 0.03 0.00 -2.08 0.00 0.00 39.78 37.94 1k8a n ASN 36 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 1k8a h GLY 37 N 3.96 0.21 -2.50 4.83 0.00 -1.97 -3.45 103.07 104.15 1k8a h GLY 37 Ca 0.00 -0.34 -0.49 0.00 0.00 0.00 0.00 47.33 46.50 1k8a h GLY 37 CO 0.00 0.30 -0.04 0.00 0.00 0.00 0.00 176.54 176.80 1k8a s ALA 38 N -3.34 3.54 0.29 3.60 0.00 -1.01 -5.11 121.76 119.73 1k8a s ALA 38 Ca -0.03 -0.62 0.07 0.00 0.00 0.00 0.00 51.96 51.37 1k8a s ALA 38 Cb 0.11 -2.38 -0.03 0.00 0.00 0.00 0.00 23.12 20.82 1k8a s ALA 38 CO 0.82 -0.10 0.33 0.20 0.00 0.00 0.00 175.76 177.01 1k8a s GLY 39 N -3.82 1.52 -0.16 0.00 0.00 -1.26 -4.96 107.32 98.64 1k8a s GLY 39 Ca 0.45 -1.46 -0.22 0.00 0.00 0.00 0.00 44.72 43.49 1k8a s GLY 39 CO 0.38 -1.43 1.40 -1.05 0.00 0.00 0.00 173.10 172.40 1k8a n PRO 40 N -1.40 0.01 -1.96 2.90 -0.02 -1.26 -4.58 135.00 128.70 1k8a n PRO 40 Ca -0.04 -0.83 -0.30 0.00 -2.02 0.00 0.00 63.50 60.31 1k8a n PRO 40 Cb 0.58 -2.30 0.03 0.00 -0.02 0.00 0.00 33.50 31.79 1k8a n PRO 40 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1k8a n THR 41 N 6.41 2.92 -4.22 3.45 -2.24 -1.26 -5.02 114.28 114.32 1k8a n THR 41 Ca 0.33 -4.12 -0.31 0.00 -2.27 0.00 0.00 64.05 57.69 1k8a n THR 41 Cb 0.39 -1.19 -0.09 0.00 -2.10 0.00 0.00 70.33 67.34 1k8a n THR 41 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1k8a s TYR 42 N -3.72 2.93 0.05 4.78 1.51 -1.26 -5.04 117.35 116.60 1k8a s TYR 42 Ca 0.54 -0.04 -0.25 0.00 -1.01 0.00 0.00 57.07 56.31 1k8a s TYR 42 Cb 0.44 -1.54 -0.17 0.00 -0.11 0.00 0.00 41.96 40.57 1k8a s TYR 42 CO -0.11 0.45 1.56 -1.35 -1.11 0.00 0.00 175.55 174.99 1k8a h PRO 43 N 3.76 -0.14 -5.82 -1.71 0.11 -1.91 -3.45 132.00 122.85 1k8a h PRO 43 Ca -0.48 0.01 -0.64 0.00 0.11 0.00 0.00 66.00 64.99 1k8a h PRO 43 Cb 1.17 0.03 -0.06 0.00 0.11 0.00 0.00 31.00 32.25 1k8a h PRO 43 CO 0.57 0.04 -0.50 0.00 -0.21 0.00 0.00 178.00 177.90 1k8a s ALA 44 N -5.57 3.91 -0.26 -0.75 0.00 -0.34 -4.39 121.76 114.36 1k8a s ALA 44 Ca -0.14 -0.77 -0.04 0.00 0.00 0.00 0.00 51.96 51.01 1k8a s ALA 44 Cb 0.04 -1.85 0.09 0.00 0.00 0.00 0.00 23.12 21.41 1k8a s ALA 44 CO 0.65 0.73 0.14 -1.14 0.00 0.00 0.00 175.76 176.14 1k8a s GLN 45 N -1.85 0.17 0.09 0.00 0.74 -1.13 -1.66 119.66 116.02 1k8a s GLN 45 Ca 0.26 -0.35 0.01 0.00 0.05 0.00 0.00 55.36 55.33 1k8a s GLN 45 Cb -0.12 -1.26 -0.04 0.00 1.10 0.00 0.00 33.01 32.69 1k8a s GLN 45 CO 0.17 -0.92 0.19 0.08 -0.55 0.00 0.00 175.29 174.26 1k8a s VAL 46 N 2.15 5.15 0.04 1.34 1.01 -1.01 -0.41 120.40 128.67 1k8a s VAL 46 Ca 0.07 -0.57 0.03 0.00 0.00 0.00 0.00 61.98 61.52 1k8a s VAL 46 Cb -0.16 -3.54 -0.02 0.00 0.00 0.00 0.00 36.38 32.66 1k8a s VAL 46 CO -0.29 0.07 -0.09 -1.61 0.00 0.00 0.00 175.10 173.18 1k8a s GLU 47 N -2.67 0.59 -0.30 2.72 2.02 0.25 -0.93 118.70 120.39 1k8a s GLU 47 Ca 0.34 -0.72 -0.10 0.00 0.02 0.00 0.00 54.97 54.50 1k8a s GLU 47 Cb -0.12 -0.44 -0.03 0.00 0.10 0.00 0.00 34.13 33.64 1k8a s GLU 47 CO 0.27 0.09 0.16 -1.17 0.02 0.00 0.00 175.26 174.63 1k8a s LEU 48 N -1.40 4.03 -0.26 1.80 2.96 0.53 -1.13 118.68 125.21 1k8a s LEU 48 Ca -0.06 -0.29 -0.07 0.00 -0.22 0.00 0.00 54.13 53.48 1k8a s LEU 48 Cb -0.09 -2.05 -0.02 0.00 0.50 0.00 0.00 46.19 44.53 1k8a s LEU 48 CO 0.01 -0.13 0.07 -0.69 -1.32 0.00 0.00 176.35 174.29 1k8a s VAL 49 N 1.68 4.24 0.18 1.68 1.01 0.53 -1.19 120.40 128.53 1k8a s VAL 49 Ca 0.06 -0.29 -0.30 0.00 0.00 0.00 0.00 61.98 61.45 1k8a s VAL 49 Cb -0.16 -3.03 -0.08 0.00 0.00 0.00 0.00 36.38 33.10 1k8a s VAL 49 CO 0.08 0.28 1.31 -0.69 0.00 0.00 0.00 175.10 176.08 1k8a s VAL 50 N 1.59 3.29 -2.33 2.92 1.01 -0.83 -0.64 120.40 125.40 1k8a s VAL 50 Ca 0.06 1.03 0.22 0.00 0.00 0.00 0.00 61.98 63.29 1k8a s VAL 50 Cb -0.16 -3.66 0.46 0.00 0.00 0.00 0.00 36.38 33.03 1k8a s VAL 50 CO 0.03 0.14 1.44 -0.62 0.00 0.00 0.00 175.10 176.10 1k8a n GLU 51 N 2.86 2.38 -3.65 2.72 1.02 -1.00 0.25 120.64 125.22 1k8a n GLU 51 Ca 0.07 -2.10 -0.15 0.00 -0.02 0.00 0.00 57.16 54.96 1k8a n GLU 51 Cb 0.43 -1.49 -0.08 0.00 -0.02 0.00 0.00 31.44 30.28 1k8a n GLU 51 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1k8a s LYS 52 N -1.46 0.79 0.16 3.49 1.02 -1.26 -4.67 119.74 117.81 1k8a s LYS 52 Ca 0.39 0.36 -0.31 0.00 0.02 0.00 0.00 55.97 56.43 1k8a s LYS 52 Cb 0.22 0.37 -0.08 0.00 -0.52 0.00 0.00 37.83 37.82 1k8a s LYS 52 CO 0.30 -0.19 1.36 -2.14 -0.92 0.00 0.00 175.35 173.76 1k8a s PRO 53 N -0.60 4.34 0.33 -1.68 0.02 -1.26 -3.65 135.00 132.51 1k8a s PRO 53 Ca -0.07 2.08 -0.12 0.00 0.02 0.00 0.00 61.00 62.92 1k8a s PRO 53 Cb -0.03 -3.21 0.02 0.00 0.02 0.00 0.00 34.50 31.30 1k8a s PRO 53 CO 0.05 -0.36 0.62 0.14 -0.33 0.00 0.00 177.00 177.12 1k8a s VAL 54 N 0.60 0.00 -0.11 3.83 -7.23 -0.20 -4.80 120.40 112.49 1k8a s VAL 54 Ca 0.61 -1.27 0.00 0.00 -1.81 0.00 0.00 61.98 59.51 1k8a s VAL 54 Cb -0.37 -2.56 -0.02 0.00 0.56 0.00 0.00 36.38 33.99 1k8a s VAL 54 CO 0.35 0.00 -0.11 -1.10 -0.31 0.00 0.00 175.10 173.92 1k8a s GLN 55 N -3.09 3.13 -0.25 4.82 -0.21 -0.83 -1.15 119.66 122.07 1k8a s GLN 55 Ca 0.21 -0.65 0.02 0.00 0.02 0.00 0.00 55.36 54.96 1k8a s GLN 55 Cb -0.03 -2.60 0.06 0.00 1.00 0.00 0.00 33.01 31.44 1k8a s GLN 55 CO 0.13 0.37 -0.08 0.42 -2.12 0.00 0.00 175.29 174.02 1k8a s ILE 56 N -0.06 1.89 0.54 1.08 1.01 0.97 -4.46 121.20 122.17 1k8a s ILE 56 Ca -0.02 -1.47 -0.22 0.00 0.00 0.00 0.00 60.65 58.94 1k8a s ILE 56 Cb -0.14 -2.07 -0.05 0.00 0.01 0.00 0.00 42.46 40.21 1k8a s ILE 56 CO 0.04 -0.08 1.38 -0.13 0.00 0.00 0.00 174.94 176.15 1k8a s ARG 57 N 1.23 3.14 0.45 2.79 0.52 -1.26 -0.49 118.95 125.32 1k8a s ARG 57 Ca -0.07 2.28 0.22 0.00 -0.52 0.00 0.00 55.73 57.64 1k8a s ARG 57 Cb -0.19 -2.28 1.22 0.00 0.52 0.00 0.00 34.95 34.22 1k8a s ARG 57 CO -0.06 -1.20 1.64 1.12 0.02 0.00 0.00 175.30 176.82 1k8a h HIS 58 N 1.48 0.00 0.76 -0.53 2.07 -1.71 0.59 115.15 117.82 1k8a h HIS 58 Ca -0.51 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 56.97 1k8a h HIS 58 Cb 1.30 0.00 0.01 0.00 2.57 0.00 0.00 27.41 31.29 1k8a h HIS 58 CO 0.46 0.00 -0.36 -0.91 -3.07 0.00 0.00 177.93 174.04 1k8a h ASN 59 N 0.00 -0.86 -0.20 3.10 -0.26 -1.86 -1.61 115.58 113.88 1k8a h ASN 59 Ca 0.00 0.02 -0.08 0.00 -0.56 0.00 0.00 56.30 55.67 1k8a h ASN 59 Cb 0.43 0.22 -0.02 0.00 -1.06 0.00 0.00 38.32 37.90 1k8a h ASN 59 CO 0.00 -0.58 -0.14 0.00 -1.06 0.00 0.00 177.43 175.64 1k8a h ALA 60 N -0.85 1.12 0.22 -0.83 0.00 -1.21 -2.30 119.26 115.40 1k8a h ALA 60 Ca -0.10 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 1k8a h ALA 60 Cb 0.79 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1k8a h ALA 60 CO 0.17 0.55 -0.11 -0.07 0.00 0.00 0.00 179.25 179.80 1k8a h LEU 61 N 0.55 -0.25 -0.84 0.00 -0.00 -1.15 0.91 115.31 114.54 1k8a h LEU 61 Ca 0.10 -0.01 0.06 0.00 -0.00 0.00 0.00 57.88 58.03 1k8a h LEU 61 Cb 0.57 0.06 -0.06 0.00 -0.00 0.00 0.00 40.66 41.23 1k8a h LEU 61 CO 0.04 -0.15 0.51 -0.08 -0.00 0.00 0.00 178.44 178.76 1k8a h GLU 62 N -0.32 0.90 -0.19 1.13 4.57 -1.14 0.17 114.58 119.70 1k8a h GLU 62 Ca -0.03 -0.05 -0.15 0.00 -1.18 0.00 0.00 59.36 57.95 1k8a h GLU 62 Cb 0.25 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 28.63 1k8a h GLU 62 CO 0.05 0.60 -0.50 0.00 -1.18 0.00 0.00 179.01 177.98 1k8a h ALA 63 N 1.40 0.78 -0.01 2.92 0.00 -1.22 -1.01 119.26 122.13 1k8a h ALA 63 Ca 0.37 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1k8a h ALA 63 Cb 0.19 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1k8a h ALA 63 CO -0.18 0.67 -0.01 0.00 0.00 0.00 0.00 179.25 179.73 1k8a h ALA 64 N 1.05 0.01 -0.20 0.00 0.00 -0.21 -2.02 119.26 117.89 1k8a h ALA 64 Ca 0.02 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1k8a h ALA 64 Cb 1.01 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1k8a h ALA 64 CO 0.09 -0.24 0.08 -0.09 0.00 0.00 0.00 179.25 179.09 1k8a h ARG 65 N -0.46 0.31 0.18 0.00 2.43 -0.69 -2.51 114.38 113.63 1k8a h ARG 65 Ca 0.00 -0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.12 1k8a h ARG 65 Cb 0.50 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 1k8a h ARG 65 CO 0.00 0.38 -0.21 0.28 -1.51 0.00 0.00 179.97 178.91 1k8a h VAL 66 N 0.17 0.53 -0.09 0.20 2.07 -1.26 0.11 116.25 117.98 1k8a h VAL 66 Ca 0.07 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.61 1k8a h VAL 66 Cb 0.19 0.53 -0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1k8a h VAL 66 CO -0.00 0.00 0.20 0.00 0.02 0.00 0.00 177.57 177.79 1k8a h ALA 67 N 0.30 1.48 0.00 1.67 0.00 -1.26 0.60 119.26 122.05 1k8a h ALA 67 Ca 0.01 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.76 1k8a h ALA 67 Cb 0.43 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1k8a h ALA 67 CO -0.07 -0.25 -1.03 0.00 0.00 0.00 0.00 179.25 177.90 1k8a h ALA 68 N 1.68 0.18 -0.46 0.00 0.00 -0.81 -3.32 119.26 116.53 1k8a h ALA 68 Ca 0.04 -0.99 -0.13 0.00 0.00 0.00 0.00 54.91 53.83 1k8a h ALA 68 Cb 0.45 0.67 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1k8a h ALA 68 CO -0.00 0.64 -0.23 -0.97 0.00 0.00 0.00 179.25 178.69 1k8a h ASN 69 N -1.00 1.01 -0.07 0.00 -0.00 -0.66 -0.00 115.58 114.86 1k8a h ASN 69 Ca -0.24 -0.41 0.02 0.00 -0.00 0.00 0.00 56.30 55.67 1k8a h ASN 69 Cb 1.05 -0.28 -0.00 0.00 -0.00 0.00 0.00 38.32 39.09 1k8a h ASN 69 CO -0.15 1.19 0.08 -0.09 -0.00 0.00 0.00 177.43 178.47 1k8a h ARG 70 N 0.83 0.00 0.06 6.67 2.43 0.05 -1.06 114.38 123.36 1k8a h ARG 70 Ca 0.10 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 58.94 1k8a h ARG 70 Cb 0.82 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.33 1k8a h ARG 70 CO 0.07 0.00 -1.86 0.98 -1.51 0.00 0.00 179.97 177.65 1k8a n TYR 71 N -3.84 1.11 0.00 2.20 9.36 -0.96 -3.82 117.16 121.21 1k8a n TYR 71 Ca -0.01 0.31 0.00 0.00 3.32 0.00 0.00 57.90 61.52 1k8a n TYR 71 Cb 0.17 -1.17 0.00 0.00 -0.63 0.00 0.00 39.34 37.71 1k8a n TYR 71 CO 0.00 0.00 0.00 1.55 0.22 0.00 0.00 176.86 178.63 1k8a n VAL 72 N -3.25 0.00 -2.33 2.97 3.14 -0.05 -2.24 118.33 116.57 1k8a n VAL 72 Ca -0.24 0.00 -0.40 0.00 -2.96 0.00 0.00 64.34 60.74 1k8a n VAL 72 Cb 1.05 -0.56 0.02 0.00 -1.06 0.00 0.00 33.84 33.29 1k8a n VAL 72 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1k8a n GLN 73 N -0.49 4.63 0.00 1.45 3.00 -1.23 -2.75 117.38 122.00 1k8a n GLN 73 Ca 0.00 -4.12 0.00 0.00 -0.01 0.00 0.00 57.00 52.87 1k8a n GLN 73 Cb 0.00 -2.44 0.00 0.00 0.00 0.00 0.00 30.24 27.80 1k8a n GLN 73 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 1k8a n ASN 74 N 0.21 0.36 -0.00 1.08 5.15 -0.95 -4.49 115.26 116.62 1k8a n ASN 74 Ca 0.51 -0.71 0.01 0.00 -0.60 0.00 0.00 54.58 53.79 1k8a n ASN 74 Cb 0.27 0.27 -0.01 0.00 -0.53 0.00 0.00 39.78 39.78 1k8a n ASN 74 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1k8a n SER 75 N -0.27 1.81 0.00 1.20 7.64 -1.11 -5.13 113.62 117.75 1k8a n SER 75 Ca 0.00 -0.34 0.00 0.00 1.01 0.00 0.00 58.87 59.54 1k8a n SER 75 Cb 0.05 1.04 0.00 0.00 -1.01 0.00 0.00 64.21 64.29 1k8a n SER 75 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1k8a n GLY 76 N 1.56 2.56 0.42 0.23 0.00 -1.26 -4.05 105.19 104.66 1k8a n GLY 76 Ca 0.00 -1.74 0.22 0.00 0.00 0.00 0.00 46.02 44.50 1k8a n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k8a h ALA 77 N 0.00 2.50 -0.42 4.61 0.00 -1.93 -0.69 119.26 123.32 1k8a h ALA 77 Ca 0.00 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.59 1k8a h ALA 77 Cb 0.00 0.02 -0.27 0.00 0.00 0.00 0.00 17.79 17.54 1k8a h ALA 77 CO 0.00 -0.72 -0.73 0.00 0.00 0.00 0.00 179.25 177.80 1k8a n ALA 78 N -2.62 4.26 -0.56 0.00 0.00 -1.26 -4.99 120.51 115.33 1k8a n ALA 78 Ca 0.16 -3.49 -0.28 0.00 0.00 0.00 0.00 53.44 49.82 1k8a n ALA 78 Cb 0.74 -0.38 0.25 0.00 0.00 0.00 0.00 19.45 20.06 1k8a n ALA 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1k8a s ALA 79 N -3.33 -0.39 -0.99 0.00 0.00 -0.27 -4.94 121.76 111.83 1k8a s ALA 79 Ca 0.44 -0.10 -0.14 0.00 0.00 0.00 0.00 51.96 52.16 1k8a s ALA 79 Cb 0.39 -3.25 0.20 0.00 0.00 0.00 0.00 23.12 20.46 1k8a s ALA 79 CO -0.01 -3.81 1.06 1.21 0.00 0.00 0.00 175.76 174.21 1k8a s ASN 80 N -2.54 6.92 -0.01 0.00 3.04 -1.26 -4.47 114.94 116.62 1k8a s ASN 80 Ca 0.68 -2.81 -0.29 0.00 0.04 0.00 0.00 52.86 50.49 1k8a s ASN 80 Cb -0.25 -2.29 0.10 0.00 -1.54 0.00 0.00 41.25 37.27 1k8a s ASN 80 CO 0.64 -0.66 0.98 -0.72 -3.04 0.00 0.00 177.10 174.30 1k8a s TYR 81 N 0.70 -0.25 -0.02 0.43 -0.85 -1.26 -4.59 117.35 111.51 1k8a s TYR 81 Ca 0.29 0.10 0.00 0.00 -0.52 0.00 0.00 57.07 56.95 1k8a s TYR 81 Cb -0.07 0.55 0.03 0.00 0.38 0.00 0.00 41.96 42.85 1k8a s TYR 81 CO -0.07 -0.52 0.01 -1.59 -1.52 0.00 0.00 175.55 171.86 1k8a s LYS 82 N -2.99 0.14 -0.15 -3.49 -2.85 -0.96 -0.37 119.74 109.06 1k8a s LYS 82 Ca 0.08 0.12 -0.01 0.00 -1.00 0.00 0.00 55.97 55.15 1k8a s LYS 82 Cb -0.01 -0.35 -0.01 0.00 -2.06 0.00 0.00 37.83 35.40 1k8a s LYS 82 CO -0.06 -0.14 -0.11 0.12 0.10 0.00 0.00 175.35 175.26 1k8a s PHE 83 N 0.98 2.85 -0.05 1.78 5.36 -0.53 -0.59 117.98 127.78 1k8a s PHE 83 Ca -0.09 -0.72 0.01 0.00 -0.96 0.00 0.00 56.93 55.17 1k8a s PHE 83 Cb -0.13 -1.90 0.02 0.00 -0.34 0.00 0.00 43.02 40.67 1k8a s PHE 83 CO -0.02 -0.29 -0.06 1.03 -1.46 0.00 0.00 175.22 174.42 1k8a s ARG 84 N 0.60 1.06 -0.47 10.12 0.52 0.21 -0.97 118.95 130.01 1k8a s ARG 84 Ca -0.07 -0.18 -0.12 0.00 -0.52 0.00 0.00 55.73 54.84 1k8a s ARG 84 Cb -0.15 -1.01 0.09 0.00 0.52 0.00 0.00 34.95 34.40 1k8a s ARG 84 CO 0.03 -0.07 0.36 -1.50 0.02 0.00 0.00 175.30 174.14 1k8a s ILE 85 N 0.94 4.73 -0.65 1.52 2.07 -1.07 -0.03 121.20 128.71 1k8a s ILE 85 Ca -0.11 -1.36 0.25 0.00 -1.41 0.00 0.00 60.65 58.02 1k8a s ILE 85 Cb -0.15 -3.93 0.26 0.00 0.13 0.00 0.00 42.46 38.78 1k8a s ILE 85 CO 0.00 -0.63 1.74 -2.11 -1.91 0.00 0.00 174.94 172.03 1k8a n ARG 86 N 5.07 0.21 -3.74 3.50 1.85 -0.84 -4.86 116.66 117.84 1k8a n ARG 86 Ca -0.11 0.30 -0.34 0.00 -1.00 0.00 0.00 57.85 56.69 1k8a n ARG 86 Cb 0.42 -1.80 -0.05 0.00 -1.05 0.00 0.00 32.46 29.98 1k8a n ARG 86 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 1k8a s LYS 87 N -3.19 3.59 -0.02 2.89 -0.14 -1.26 -5.10 119.74 116.52 1k8a s LYS 87 Ca 0.08 -0.08 0.07 0.00 -1.36 0.00 0.00 55.97 54.68 1k8a s LYS 87 Cb 0.11 -3.03 -0.02 0.00 -1.68 0.00 0.00 37.83 33.21 1k8a s LYS 87 CO 0.49 0.61 -0.23 -0.06 -0.76 0.00 0.00 175.35 175.40 1k8a s PHE 88 N -1.38 2.06 -1.15 3.18 0.40 -1.26 -5.06 117.98 114.76 1k8a s PHE 88 Ca 0.31 -0.39 -0.22 0.00 -0.60 0.00 0.00 56.93 56.02 1k8a s PHE 88 Cb -0.13 -1.32 -0.04 0.00 0.51 0.00 0.00 43.02 42.04 1k8a s PHE 88 CO 0.18 -0.04 1.86 -1.25 0.70 0.00 0.00 175.22 176.67 1k8a s PRO 89 N -0.53 2.92 0.02 0.24 0.04 -1.26 -4.57 135.00 131.86 1k8a s PRO 89 Ca 0.09 -1.20 -0.01 0.00 0.04 0.00 0.00 61.00 59.92 1k8a s PRO 89 Cb -0.09 -5.29 -0.27 0.00 0.04 0.00 0.00 34.50 28.90 1k8a s PRO 89 CO -0.01 -3.37 0.93 0.74 0.04 0.00 0.00 177.00 175.34 1k8a h PHE 90 N 9.53 0.37 -2.90 0.56 -1.00 -1.85 -3.39 116.94 118.26 1k8a h PHE 90 Ca 0.25 -0.27 -0.56 0.00 2.81 0.00 0.00 57.97 60.20 1k8a h PHE 90 Cb 0.94 -0.01 -0.04 0.00 3.61 0.00 0.00 35.95 40.44 1k8a h PHE 90 CO 1.27 1.29 1.16 -1.58 -1.61 0.00 0.00 178.31 178.84 1k8a s HIS 91 N -2.63 2.13 0.13 -0.55 2.46 -0.53 -4.62 115.29 111.68 1k8a s HIS 91 Ca -0.07 0.63 -0.31 0.00 0.47 0.00 0.00 55.06 55.79 1k8a s HIS 91 Cb 0.07 -4.25 -0.08 0.00 -0.13 0.00 0.00 32.58 28.19 1k8a s HIS 91 CO 0.85 -2.30 1.32 0.08 -2.47 0.00 0.00 174.74 172.22 1k8a s VAL 92 N 6.32 3.43 0.07 0.89 1.01 -0.38 -0.97 120.40 130.77 1k8a s VAL 92 Ca 0.66 1.07 0.08 0.00 0.00 0.00 0.00 61.98 63.78 1k8a s VAL 92 Cb -0.16 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.50 1k8a s VAL 92 CO 0.31 0.11 -0.18 0.27 0.00 0.00 0.00 175.10 175.60 1k8a s ILE 93 N 0.78 2.81 0.48 2.22 -4.36 -0.54 -4.76 121.20 117.83 1k8a s ILE 93 Ca 0.61 -1.30 0.04 0.00 -0.26 0.00 0.00 60.65 59.73 1k8a s ILE 93 Cb -0.35 -2.22 -0.02 0.00 1.25 0.00 0.00 42.46 41.12 1k8a s ILE 93 CO 0.32 0.25 0.09 -0.13 0.24 0.00 0.00 174.94 175.72 1k8a s ARG 94 N -1.69 2.16 -0.26 0.37 0.52 -1.26 -1.39 118.95 117.40 1k8a s ARG 94 Ca 0.16 -2.21 -0.20 0.00 -0.52 0.00 0.00 55.73 52.96 1k8a s ARG 94 Cb -0.11 -1.70 0.07 0.00 0.52 0.00 0.00 34.95 33.73 1k8a s ARG 94 CO 0.07 -0.31 0.67 -2.00 0.02 0.00 0.00 175.30 173.75 1k8a s GLU 95 N -3.91 0.74 -1.11 3.54 2.12 -1.15 -4.85 118.70 114.09 1k8a s GLU 95 Ca 0.21 1.04 -0.16 0.00 0.36 0.00 0.00 54.97 56.42 1k8a s GLU 95 Cb 0.03 0.28 0.16 0.00 0.26 0.00 0.00 34.13 34.85 1k8a s GLU 95 CO 0.11 -0.12 1.32 1.21 -0.54 0.00 0.00 175.26 177.25 1k8a s ASN 96 N 0.88 6.91 -0.99 -1.70 2.47 -1.26 -1.74 114.94 119.51 1k8a s ASN 96 Ca -0.04 -2.66 -0.03 0.00 0.42 0.00 0.00 52.86 50.56 1k8a s ASN 96 Cb -0.05 -2.40 0.29 0.00 -1.45 0.00 0.00 41.25 37.64 1k8a s ASN 96 CO -0.07 -0.86 1.26 2.29 -3.72 0.00 0.00 177.10 176.00 1k8a n LYS 97 N 5.95 3.89 0.00 0.43 2.85 -1.26 -5.03 118.16 124.99 1k8a n LYS 97 Ca 0.32 -4.56 0.00 0.00 -1.05 0.00 0.00 58.31 53.02 1k8a n LYS 97 Cb 0.45 -2.46 0.00 0.00 -0.65 0.00 0.00 35.03 32.37 1k8a n LYS 97 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1k8a n ASP 109 N 1.44 -0.59 0.00 -5.58 -0.08 -1.26 -4.97 116.55 105.52 1k8a n ASP 109 Ca 0.26 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.54 1k8a n ASP 109 Cb 0.35 0.48 0.00 0.00 2.34 0.00 0.00 41.12 44.29 1k8a n ASP 109 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1k8a n GLY 110 N 0.74 -0.29 0.99 0.27 0.00 -1.26 -4.90 105.19 100.74 1k8a n GLY 110 Ca 0.00 0.48 0.12 0.00 0.00 0.00 0.00 46.02 46.62 1k8a n GLY 110 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1k8a n MET 111 N 0.00 2.34 -2.45 1.61 2.81 -1.26 -4.74 117.12 115.43 1k8a n MET 111 Ca 0.00 -1.98 -0.36 0.00 -1.81 0.00 0.00 57.70 53.54 1k8a n MET 111 Cb 0.00 -1.48 -0.03 0.00 -0.71 0.00 0.00 33.22 31.00 1k8a n MET 111 CO 0.00 0.00 0.00 0.50 1.51 0.00 0.00 175.97 177.98 1k8a s ARG 112 N -1.80 3.97 -0.53 0.03 3.52 -1.26 -3.65 118.95 119.23 1k8a s ARG 112 Ca 0.33 1.57 -0.14 0.00 -0.13 0.00 0.00 55.73 57.35 1k8a s ARG 112 Cb 0.21 -2.42 0.02 0.00 -1.56 0.00 0.00 34.95 31.20 1k8a s ARG 112 CO 0.31 -0.33 0.30 0.00 -0.81 0.00 0.00 175.30 174.77 1k8a n ALA 113 N -0.37 -1.74 1.51 6.12 0.00 -1.26 -4.81 120.51 119.96 1k8a n ALA 113 Ca 0.07 -0.26 0.15 0.00 0.00 0.00 0.00 53.44 53.39 1k8a n ALA 113 Cb 0.50 -1.06 0.71 0.00 0.00 0.00 0.00 19.45 19.60 1k8a n ALA 113 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1k8a n PRO 114 N -2.67 0.68 -1.62 0.00 -0.04 -1.24 -4.88 135.00 125.23 1k8a n PRO 114 Ca -0.06 -0.14 -0.46 0.00 -0.04 0.00 0.00 63.50 62.80 1k8a n PRO 114 Cb 0.26 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.18 1k8a n PRO 114 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1k8a n PHE 115 N -1.04 2.16 -0.64 0.54 7.35 -1.26 -4.56 117.46 120.01 1k8a n PHE 115 Ca 0.16 -0.10 -0.30 0.00 -0.76 0.00 0.00 57.45 56.46 1k8a n PHE 115 Cb 0.24 -2.70 0.27 0.00 0.35 0.00 0.00 39.48 37.64 1k8a n PHE 115 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1k8a n GLY 116 N 5.16 -3.36 3.57 7.13 0.00 -1.26 -4.91 105.19 111.51 1k8a n GLY 116 Ca 0.27 -1.39 -0.32 0.00 0.00 0.00 0.00 46.02 44.57 1k8a n GLY 116 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k8a s LYS 117 N -5.26 2.54 0.02 1.61 -2.85 -0.71 -4.72 119.74 110.37 1k8a s LYS 117 Ca 0.68 -0.71 -0.36 0.00 -1.00 0.00 0.00 55.97 54.59 1k8a s LYS 117 Cb -0.09 -2.48 -0.15 0.00 -2.06 0.00 0.00 37.83 33.05 1k8a s LYS 117 CO 0.55 0.61 1.60 -2.30 0.10 0.00 0.00 175.35 175.90 1k8a n PRO 118 N 1.74 1.71 0.00 1.78 -0.02 -1.26 -2.93 135.00 136.02 1k8a n PRO 118 Ca -0.16 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 1k8a n PRO 118 Cb 0.53 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 1k8a n PRO 118 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1k8a n VAL 119 N 3.69 0.00 -3.14 -1.45 0.24 -0.48 -4.84 118.33 112.35 1k8a n VAL 119 Ca 0.20 -0.32 0.00 0.00 -2.04 0.00 0.00 64.34 62.18 1k8a n VAL 119 Cb 0.24 0.91 0.00 0.00 -1.47 0.00 0.00 33.84 33.52 1k8a n VAL 119 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1k8a n GLY 120 N 0.92 -1.26 3.18 7.63 0.00 -1.16 -4.87 105.19 109.61 1k8a n GLY 120 Ca 0.00 -0.87 -0.11 0.00 0.00 0.00 0.00 46.02 45.04 1k8a n GLY 120 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1k8a s THR 121 N -2.99 0.77 0.10 2.61 -4.23 -1.26 -1.46 115.64 109.17 1k8a s THR 121 Ca 0.00 -1.91 -0.11 0.00 -1.18 0.00 0.00 61.69 58.49 1k8a s THR 121 Cb 0.00 -1.65 0.01 0.00 1.34 0.00 0.00 72.50 72.20 1k8a s THR 121 CO 0.00 -0.82 0.26 0.00 -0.54 0.00 0.00 174.62 173.52 1k8a s ALA 122 N -3.44 -0.48 -0.09 3.99 0.00 -0.14 -1.78 121.76 119.82 1k8a s ALA 122 Ca 0.11 -0.41 0.00 0.00 0.00 0.00 0.00 51.96 51.67 1k8a s ALA 122 Cb 0.04 0.55 -0.03 0.00 0.00 0.00 0.00 23.12 23.68 1k8a s ALA 122 CO -0.04 -0.55 -0.08 0.00 0.00 0.00 0.00 175.76 175.09 1k8a s ALA 123 N -3.79 2.91 -0.29 0.00 0.00 0.35 -1.46 121.76 119.48 1k8a s ALA 123 Ca 0.04 -0.89 -0.16 0.00 0.00 0.00 0.00 51.96 50.95 1k8a s ALA 123 Cb 0.04 -1.25 -0.03 0.00 0.00 0.00 0.00 23.12 21.88 1k8a s ALA 123 CO -0.11 0.47 0.43 1.03 0.00 0.00 0.00 175.76 177.59 1k8a s ARG 124 N -0.47 3.94 -0.08 0.00 0.52 -1.26 -0.02 118.95 121.57 1k8a s ARG 124 Ca 0.07 0.05 0.05 0.00 -0.52 0.00 0.00 55.73 55.38 1k8a s ARG 124 Cb -0.12 -3.69 -0.00 0.00 0.52 0.00 0.00 34.95 31.66 1k8a s ARG 124 CO 0.02 -0.37 -0.24 0.08 0.02 0.00 0.00 175.30 174.80 1k8a s VAL 125 N 2.19 2.04 0.11 3.52 1.01 -0.30 -4.99 120.40 123.97 1k8a s VAL 125 Ca 0.17 -1.03 -0.13 0.00 0.00 0.00 0.00 61.98 60.99 1k8a s VAL 125 Cb -0.16 -1.75 -0.06 0.00 0.00 0.00 0.00 36.38 34.41 1k8a s VAL 125 CO 0.10 0.56 0.50 -1.00 0.00 0.00 0.00 175.10 175.26 1k8a s HIS 126 N 0.16 3.62 0.11 5.22 3.76 -1.26 -1.03 115.29 125.87 1k8a s HIS 126 Ca -0.13 0.99 -0.36 0.00 -0.15 0.00 0.00 55.06 55.41 1k8a s HIS 126 Cb -0.16 -2.31 -0.16 0.00 1.11 0.00 0.00 32.58 31.05 1k8a s HIS 126 CO 0.07 0.48 1.35 0.41 -0.85 0.00 0.00 174.74 176.20 1k8a n GLY 127 N 0.95 0.52 0.54 -2.22 0.00 -1.24 -1.87 105.19 101.87 1k8a n GLY 127 Ca -0.07 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.62 1k8a n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k8a n ALA 128 N 2.51 0.00 -1.93 4.61 0.00 0.71 -4.83 120.51 121.58 1k8a n ALA 128 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.30 1k8a n ALA 128 Cb 0.21 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.63 1k8a n ALA 128 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1k8a s ASN 129 N -2.48 6.55 -0.20 0.00 0.02 -0.78 -4.81 114.94 113.24 1k8a s ASN 129 Ca 0.00 1.45 -0.10 0.00 -1.02 0.00 0.00 52.86 53.19 1k8a s ASN 129 Cb 0.00 -2.46 -0.05 0.00 0.02 0.00 0.00 41.25 38.76 1k8a s ASN 129 CO 0.00 -0.58 0.13 -1.38 0.02 0.00 0.00 177.10 175.29 1k8a s HIS 130 N -2.64 3.41 -0.05 2.20 -3.43 -1.26 -1.96 115.29 111.56 1k8a s HIS 130 Ca 0.57 0.33 0.10 0.00 -0.80 0.00 0.00 55.06 55.26 1k8a s HIS 130 Cb -0.10 -2.15 -0.23 0.00 -1.43 0.00 0.00 32.58 28.67 1k8a s HIS 130 CO 0.34 0.30 0.62 1.51 -2.00 0.00 0.00 174.74 175.51 1k8a n ILE 131 N 3.46 1.63 -4.75 -5.38 3.06 -0.34 -4.75 119.36 112.29 1k8a n ILE 131 Ca -0.16 -0.78 -0.25 0.00 -2.50 0.00 0.00 62.75 59.06 1k8a n ILE 131 Cb 0.52 -1.11 -0.15 0.00 0.54 0.00 0.00 39.64 39.44 1k8a n ILE 131 CO 0.00 0.00 0.00 -0.36 -2.50 0.00 0.00 176.55 173.69 1k8a s PHE 132 N -2.59 1.63 -0.03 9.51 2.99 -1.21 -1.98 117.98 126.30 1k8a s PHE 132 Ca -0.07 -0.33 -0.01 0.00 0.00 0.00 0.00 56.93 56.53 1k8a s PHE 132 Cb 0.08 -1.02 0.03 0.00 0.00 0.00 0.00 43.02 42.11 1k8a s PHE 132 CO 0.82 0.01 0.04 0.42 -0.00 0.00 0.00 175.22 176.51 1k8a s ILE 133 N -0.57 -0.07 0.22 0.64 -1.09 0.96 -0.35 121.20 120.94 1k8a s ILE 133 Ca 0.07 0.27 0.11 0.00 -2.23 0.00 0.00 60.65 58.86 1k8a s ILE 133 Cb -0.08 -0.10 -0.05 0.00 -1.58 0.00 0.00 42.46 40.66 1k8a s ILE 133 CO 0.00 0.11 -0.20 0.00 -1.23 0.00 0.00 174.94 173.62 1k8a s ALA 134 N 1.34 2.43 -0.10 9.38 0.00 -0.11 0.66 121.76 135.37 1k8a s ALA 134 Ca -0.06 -1.69 0.00 0.00 0.00 0.00 0.00 51.96 50.22 1k8a s ALA 134 Cb -0.13 -0.25 0.02 0.00 0.00 0.00 0.00 23.12 22.77 1k8a s ALA 134 CO -0.03 0.30 -0.08 -1.58 0.00 0.00 0.00 175.76 174.37 1k8a s TRP 135 N -2.17 1.38 0.05 0.00 0.51 0.24 -2.40 118.94 116.56 1k8a s TRP 135 Ca 0.23 -0.63 -0.03 0.00 -2.12 0.00 0.00 56.10 53.55 1k8a s TRP 135 Cb -0.06 -1.13 -0.03 0.00 -0.81 0.00 0.00 33.47 31.44 1k8a s TRP 135 CO 0.10 -0.43 0.03 0.54 -0.51 0.00 0.00 176.95 176.68 1k8a s VAL 136 N 1.43 0.18 0.46 4.03 0.11 -0.67 -2.27 120.40 123.68 1k8a s VAL 136 Ca -0.01 -1.51 -0.04 0.00 -2.93 0.00 0.00 61.98 57.49 1k8a s VAL 136 Cb -0.13 -1.28 -0.03 0.00 -1.53 0.00 0.00 36.38 33.41 1k8a s VAL 136 CO -0.05 -0.84 0.74 0.20 -3.33 0.00 0.00 175.10 171.83 1k8a s ASN 137 N -2.66 6.18 -0.51 3.54 0.01 -1.26 -1.20 114.94 119.05 1k8a s ASN 137 Ca 0.03 0.77 -0.09 0.00 -0.71 0.00 0.00 52.86 52.86 1k8a s ASN 137 Cb 0.04 -2.11 -0.14 0.00 0.41 0.00 0.00 41.25 39.45 1k8a s ASN 137 CO -0.09 -0.57 1.62 -2.65 -1.51 0.00 0.00 177.10 173.90 1k8a n PRO 138 N -2.18 0.07 -2.60 -0.60 -0.02 -1.26 -4.14 135.00 124.25 1k8a n PRO 138 Ca -0.00 -0.37 -0.05 0.00 -2.02 0.00 0.00 63.50 61.06 1k8a n PRO 138 Cb 0.56 -1.74 0.09 0.00 -0.02 0.00 0.00 33.50 32.38 1k8a n PRO 138 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1k8a n ASP 139 N 8.70 -1.54 -4.40 2.55 2.03 -1.26 -5.09 116.55 117.53 1k8a n ASP 139 Ca 0.29 -2.15 -0.20 0.00 0.52 0.00 0.00 54.79 53.24 1k8a n ASP 139 Cb 0.40 0.87 -0.11 0.00 -0.72 0.00 0.00 41.12 41.56 1k8a n ASP 139 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 1k8a n PRO 140 N -0.76 0.22 0.02 -0.67 -0.02 -1.26 -4.29 135.00 128.24 1k8a n PRO 140 Ca -0.11 -1.67 0.11 0.00 -2.02 0.00 0.00 63.50 59.82 1k8a n PRO 140 Cb 0.79 -3.71 -0.08 0.00 -0.02 0.00 0.00 33.50 30.48 1k8a n PRO 140 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1k8a n ASN 141 N 17.81 0.43 -0.06 2.55 3.02 -1.26 -3.89 115.26 133.85 1k8a n ASN 141 Ca 0.42 -0.13 -0.02 0.00 -0.03 0.00 0.00 54.58 54.83 1k8a n ASN 141 Cb 0.46 1.30 0.24 0.00 -0.61 0.00 0.00 39.78 41.18 1k8a n ASN 141 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 1k8a h VAL 142 N 0.00 1.21 -0.24 2.41 3.04 -1.99 0.11 116.25 120.79 1k8a h VAL 142 Ca 0.00 -0.80 0.05 0.00 -1.01 0.00 0.00 66.70 64.94 1k8a h VAL 142 Cb 0.86 0.82 -0.01 0.00 -2.01 0.00 0.00 31.29 30.95 1k8a h VAL 142 CO 0.00 0.29 0.17 -0.33 -1.01 0.00 0.00 177.57 176.69 1k8a h GLU 143 N 0.65 0.10 0.03 4.17 5.08 -1.93 0.70 114.58 123.37 1k8a h GLU 143 Ca 0.14 -0.01 -0.23 0.00 -1.00 0.00 0.00 59.36 58.26 1k8a h GLU 143 Cb 0.32 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 1k8a h GLU 143 CO 0.01 0.06 -1.14 1.49 -1.00 0.00 0.00 179.01 178.43 1k8a h GLU 144 N 0.10 0.06 0.00 2.33 4.57 -1.08 -3.11 114.58 117.45 1k8a h GLU 144 Ca 0.11 -0.10 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1k8a h GLU 144 Cb 0.31 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.94 1k8a h GLU 144 CO -0.01 0.99 0.00 0.00 -1.18 0.00 0.00 179.01 178.80 1k8a h ALA 145 N 0.91 1.00 0.00 2.92 0.00 0.56 -2.55 119.26 122.10 1k8a h ALA 145 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1k8a h ALA 145 Cb 1.84 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.63 1k8a h ALA 145 CO 0.14 0.00 -1.73 0.91 0.00 0.00 0.00 179.25 178.56 1k8a n TRP 146 N -2.80 0.21 0.20 0.00 8.01 -0.77 -2.63 117.44 119.66 1k8a n TRP 146 Ca -0.00 0.06 0.05 0.00 -1.31 0.00 0.00 57.50 56.30 1k8a n TRP 146 Cb 0.19 -0.58 0.43 0.00 -2.01 0.00 0.00 31.31 29.34 1k8a n TRP 146 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.69 176.59 1k8a h ARG 147 N 0.00 0.00 0.00 -0.99 2.43 -1.39 -1.31 114.38 113.13 1k8a h ARG 147 Ca 0.00 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.08 1k8a h ARG 147 Cb 0.98 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.51 1k8a h ARG 147 CO 0.00 0.32 -1.03 0.00 -1.51 0.00 0.00 179.97 177.76 1k8a h ARG 148 N 0.00 0.00 0.20 0.20 3.08 -1.63 -3.35 114.38 112.87 1k8a h ARG 148 Ca -0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1k8a h ARG 148 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.71 1k8a h ARG 148 CO 0.04 0.21 -0.09 0.00 -1.07 0.00 0.00 179.97 179.06 1k8a h ALA 149 N 1.66 -0.27 0.00 0.04 0.00 -1.01 -3.17 119.26 116.51 1k8a h ALA 149 Ca -0.07 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1k8a h ALA 149 Cb 1.33 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.22 1k8a h ALA 149 CO 0.03 -0.36 0.00 0.36 0.00 0.00 0.00 179.25 179.28 1k8a n LYS 150 N -4.97 0.49 0.10 0.00 0.00 -0.84 -1.33 118.16 111.61 1k8a n LYS 150 Ca -0.08 0.00 0.06 0.00 -0.00 0.00 0.00 58.31 58.29 1k8a n LYS 150 Cb 0.26 -1.18 -0.01 0.00 -0.00 0.00 0.00 35.03 34.10 1k8a n LYS 150 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.40 179.38 1k8a h MET 151 N 0.00 0.00 -0.15 -1.58 4.05 -1.68 -3.34 114.93 112.22 1k8a h MET 151 Ca 0.00 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1k8a h MET 151 Cb 0.00 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 30.80 1k8a h MET 151 CO 0.00 0.20 -0.00 1.63 0.23 0.00 0.00 176.91 178.97 1k8a n LYS 152 N -2.91 2.21 -4.43 0.39 5.02 -0.44 -4.96 118.16 113.04 1k8a n LYS 152 Ca -0.03 -2.73 -0.21 0.00 -2.02 0.00 0.00 58.31 53.32 1k8a n LYS 152 Cb 0.69 -1.70 -0.14 0.00 -0.02 0.00 0.00 35.03 33.87 1k8a n LYS 152 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1k8a s VAL 153 N -2.86 1.12 0.15 -0.18 -7.23 -1.25 -4.59 120.40 105.57 1k8a s VAL 153 Ca 0.38 -0.91 -0.31 0.00 -1.81 0.00 0.00 61.98 59.33 1k8a s VAL 153 Cb 0.32 -1.00 -0.07 0.00 0.56 0.00 0.00 36.38 36.19 1k8a s VAL 153 CO 0.06 0.08 1.55 0.74 -0.31 0.00 0.00 175.10 177.22 1k8a h THR 154 N 4.57 0.01 -3.93 5.32 2.02 -1.92 -3.45 112.91 115.52 1k8a h THR 154 Ca -0.37 0.00 -0.48 0.00 0.77 0.00 0.00 66.41 66.33 1k8a h THR 154 Cb 1.18 0.01 0.17 0.00 -1.74 0.00 0.00 68.15 67.76 1k8a h THR 154 CO 0.45 0.00 0.20 -2.16 0.37 0.00 0.00 175.52 174.38 1k8a s PRO 155 N -5.59 0.75 0.34 6.66 0.04 -1.26 -5.03 135.00 130.91 1k8a s PRO 155 Ca -0.13 0.90 -0.17 0.00 0.04 0.00 0.00 61.00 61.64 1k8a s PRO 155 Cb 0.11 -1.74 -0.09 0.00 0.04 0.00 0.00 34.50 32.81 1k8a s PRO 155 CO 0.62 -2.61 0.79 0.99 0.04 0.00 0.00 177.00 176.84 1k8a s THR 156 N -2.81 4.59 0.12 1.26 2.01 -1.26 -4.93 115.64 114.62 1k8a s THR 156 Ca 0.65 1.12 0.03 0.00 0.31 0.00 0.00 61.69 63.80 1k8a s THR 156 Cb -0.20 -3.63 -0.04 0.00 0.01 0.00 0.00 72.50 68.64 1k8a s THR 156 CO 0.59 -0.19 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.61 1k8a s ILE 157 N -2.00 0.87 -0.17 1.82 1.01 -1.26 -2.38 121.20 119.09 1k8a s ILE 157 Ca 0.55 -1.97 -0.01 0.00 0.00 0.00 0.00 60.65 59.22 1k8a s ILE 157 Cb -0.10 -1.73 -0.01 0.00 0.01 0.00 0.00 42.46 40.62 1k8a s ILE 157 CO 0.17 -0.82 -0.11 0.21 0.00 0.00 0.00 174.94 174.39 1k8a s ASN 158 N -3.07 4.00 -0.47 3.58 3.84 0.18 -4.96 114.94 118.04 1k8a s ASN 158 Ca 0.13 -0.40 -0.19 0.00 0.21 0.00 0.00 52.86 52.61 1k8a s ASN 158 Cb 0.04 -1.64 0.04 0.00 -0.55 0.00 0.00 41.25 39.14 1k8a s ASN 158 CO -0.03 0.07 0.60 -0.63 -2.79 0.00 0.00 177.10 174.33 1k8a s ILE 159 N 0.91 4.89 -0.14 -5.21 1.01 -1.26 -0.34 121.20 121.05 1k8a s ILE 159 Ca -0.02 -0.25 -0.03 0.00 0.00 0.00 0.00 60.65 60.34 1k8a s ILE 159 Cb -0.15 -4.23 -0.03 0.00 0.01 0.00 0.00 42.46 38.07 1k8a s ILE 159 CO -0.00 -0.67 -0.03 -0.62 0.00 0.00 0.00 174.94 173.61 1k8a s ASP 160 N 2.30 4.84 -0.14 3.58 -1.08 -0.29 -4.97 116.67 120.92 1k8a s ASP 160 Ca 0.17 -0.09 -0.05 0.00 -0.52 0.00 0.00 52.55 52.06 1k8a s ASP 160 Cb -0.17 -1.70 -0.04 0.00 -1.46 0.00 0.00 42.92 39.55 1k8a s ASP 160 CO 0.15 0.21 0.05 -0.55 0.52 0.00 0.00 175.17 175.54 1k8a s SER 161 N 0.14 5.56 0.00 -0.34 0.15 -1.26 0.87 113.70 118.82 1k8a s SER 161 Ca -0.01 0.14 0.00 0.00 0.70 0.00 0.00 55.95 56.78 1k8a s SER 161 Cb -0.14 -1.82 0.00 0.00 -1.71 0.00 0.00 66.02 62.35 1k8a s SER 161 CO 0.03 0.27 0.00 -1.20 1.20 0.00 0.00 173.24 173.54 1k8a n SER 162 N 2.88 0.00 -4.56 5.45 7.64 0.45 -4.86 113.62 120.61 1k8a n SER 162 Ca -0.18 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.31 1k8a n SER 162 Cb 0.53 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.70 1k8a n SER 162 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 1k8a s PRO 163 N 0.39 2.71 0.00 1.43 0.02 -1.26 -4.67 135.00 133.62 1k8a s PRO 163 Ca 0.00 0.87 0.00 0.00 0.02 0.00 0.00 61.00 61.89 1k8a s PRO 163 Cb 0.00 -4.37 0.00 0.00 0.02 0.00 0.00 34.50 30.15 1k8a s PRO 163 CO 0.00 -2.62 0.00 0.00 -0.33 0.00 0.00 177.00 174.05 1k8a n ALA 164 N 12.63 0.00 -1.04 -1.55 0.00 -1.26 -2.84 120.51 126.45 1k8a n ALA 164 Ca 0.23 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.43 1k8a n ALA 164 Cb 0.51 0.00 0.14 0.00 0.00 0.00 0.00 19.45 20.11 1k8a n ALA 164 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k8a n GLY 165 N 0.00 4.49 2.72 0.00 0.00 -1.26 -4.57 105.19 106.58 1k8a n GLY 165 Ca 0.00 -1.20 -0.38 0.00 0.00 0.00 0.00 46.02 44.44 1k8a n GLY 165 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1k8a n ASN 166 N -0.90 6.67 -0.73 1.61 5.03 -1.26 -5.27 115.26 120.40 1k8a n ASN 166 Ca 0.54 -3.66 0.13 0.00 0.87 0.00 0.00 54.58 52.46 1k8a n ASN 166 Cb 1.36 -1.06 0.30 0.00 -1.02 0.00 0.00 39.78 39.37 1k8a n ASN 166 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43