#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c8w s GLU 2 N 0.00 4.64 0.76 1.64 2.12 -1.26 -5.03 118.70 121.57 1c8w s GLU 2 Ca 0.00 1.77 -0.11 0.00 0.36 0.00 0.00 54.97 56.99 1c8w s GLU 2 Cb 0.00 -3.17 0.05 0.00 0.26 0.00 0.00 34.13 31.27 1c8w s GLU 2 CO 0.00 0.22 1.08 0.95 -0.54 0.00 0.00 175.26 176.97 1c8w s THR 3 N -1.18 3.49 0.23 -1.70 -4.23 -1.26 -4.84 115.64 106.15 1c8w s THR 3 Ca 0.45 0.48 -0.07 0.00 -1.18 0.00 0.00 61.69 61.37 1c8w s THR 3 Cb -0.31 -3.08 0.22 0.00 1.34 0.00 0.00 72.50 70.66 1c8w s THR 3 CO 0.40 -0.63 1.90 0.00 -0.54 0.00 0.00 174.62 175.75 1c8w h ALA 4 N -1.02 1.15 -0.50 3.99 0.00 -1.96 -0.85 119.26 120.07 1c8w h ALA 4 Ca -0.45 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.36 1c8w h ALA 4 Cb 1.23 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1c8w h ALA 4 CO 0.54 0.49 0.10 0.00 0.00 0.00 0.00 179.25 180.38 1c8w h ALA 5 N 1.34 0.66 -0.42 0.00 0.00 -1.89 -1.41 119.26 117.55 1c8w h ALA 5 Ca 0.34 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 1c8w h ALA 5 Cb -0.08 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1c8w h ALA 5 CO -0.09 0.38 -0.10 0.00 0.00 0.00 0.00 179.25 179.44 1c8w h ALA 6 N 0.98 1.05 -0.57 0.00 0.00 -1.85 -2.32 119.26 116.55 1c8w h ALA 6 Ca 0.15 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 1c8w h ALA 6 Cb 0.37 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1c8w h ALA 6 CO 0.01 0.58 -0.02 -0.22 0.00 0.00 0.00 179.25 179.60 1c8w h LYS 7 N 0.67 1.01 -0.70 0.00 3.64 -0.88 -1.17 116.57 119.13 1c8w h LYS 7 Ca 0.12 -0.32 -0.03 0.00 -1.27 0.00 0.00 60.65 59.15 1c8w h LYS 7 Cb 0.56 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.25 1c8w h LYS 7 CO 0.03 1.00 0.31 0.35 -2.27 0.00 0.00 179.45 178.87 1c8w h PHE 8 N 0.92 1.05 -0.04 1.91 3.04 -1.01 -0.64 116.94 122.17 1c8w h PHE 8 Ca 0.16 -0.07 -0.00 0.00 3.98 0.00 0.00 57.97 62.04 1c8w h PHE 8 Cb 0.56 -0.32 -0.00 0.00 2.56 0.00 0.00 35.95 38.75 1c8w h PHE 8 CO 0.04 0.80 0.02 0.93 -2.02 0.00 0.00 178.31 178.07 1c8w h GLU 9 N 0.99 0.05 -0.69 1.11 5.08 -1.07 0.71 114.58 120.77 1c8w h GLU 9 Ca 0.24 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.58 1c8w h GLU 9 Cb 0.17 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 1c8w h GLU 9 CO -0.02 0.12 0.40 -0.09 -1.00 0.00 0.00 179.01 178.41 1c8w h ARG 10 N -0.02 0.95 0.01 2.33 2.43 -1.08 -1.19 114.38 117.80 1c8w h ARG 10 Ca 0.01 -0.10 -0.21 0.00 -0.81 0.00 0.00 59.98 58.88 1c8w h ARG 10 Cb 0.08 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.41 1c8w h ARG 10 CO -0.00 0.69 -1.00 1.96 -1.51 0.00 0.00 179.97 180.11 1c8w h GLN 11 N 0.94 0.03 -0.00 0.20 4.20 -0.99 -3.40 115.11 116.08 1c8w h GLN 11 Ca 0.25 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.91 1c8w h GLN 11 Cb -0.00 0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.80 1c8w h GLN 11 CO -0.04 1.00 -0.01 0.72 -0.67 0.00 0.00 178.83 179.83 1c8w n HIS 12 N -3.40 0.00 -3.83 2.96 8.25 0.23 -4.70 115.22 114.73 1c8w n HIS 12 Ca -0.01 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.10 1c8w n HIS 12 Cb 0.93 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.95 1c8w n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1c8w s MET 13 N -0.54 4.06 -0.41 -0.41 -1.94 -0.46 -0.62 119.30 118.98 1c8w s MET 13 Ca 0.00 -0.25 0.05 0.00 -1.71 0.00 0.00 55.69 53.78 1c8w s MET 13 Cb 0.00 -3.33 0.19 0.00 2.01 0.00 0.00 34.83 33.70 1c8w s MET 13 CO 0.01 0.33 0.40 -3.47 -0.01 0.00 0.00 175.02 172.27 1c8w n ASP 14 N 3.40 -0.56 -0.04 3.03 2.03 -0.67 -4.89 116.55 118.86 1c8w n ASP 14 Ca -0.16 -2.46 0.14 0.00 0.52 0.00 0.00 54.79 52.82 1c8w n ASP 14 Cb 0.52 -0.42 0.63 0.00 -0.72 0.00 0.00 41.12 41.13 1c8w n ASP 14 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1c8w n SER 15 N 2.58 0.21 0.25 1.67 7.64 -1.26 -3.76 113.62 120.96 1c8w n SER 15 Ca 0.28 -0.17 0.16 0.00 1.01 0.00 0.00 58.87 60.14 1c8w n SER 15 Cb 0.49 -0.21 0.55 0.00 -1.01 0.00 0.00 64.21 64.04 1c8w n SER 15 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1c8w h SER 16 N 0.20 0.00 -3.95 6.43 4.64 -1.92 -3.45 113.55 115.50 1c8w h SER 16 Ca 0.00 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.82 1c8w h SER 16 Cb 0.37 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 62.27 1c8w h SER 16 CO 0.00 0.00 -0.79 0.42 -0.87 0.00 0.00 176.83 175.59 1c8w s THR 17 N -3.53 1.62 -0.20 2.95 -4.23 -1.25 -5.04 115.64 105.96 1c8w s THR 17 Ca 0.03 -1.69 0.18 0.00 -1.18 0.00 0.00 61.69 59.02 1c8w s THR 17 Cb 0.08 -1.61 0.05 0.00 1.34 0.00 0.00 72.50 72.36 1c8w s THR 17 CO 0.56 -0.24 1.28 0.77 -0.54 0.00 0.00 174.62 176.46 1c8w h SER 18 N 3.69 0.00 -4.69 3.99 4.64 -1.88 -3.44 113.55 115.86 1c8w h SER 18 Ca -0.43 0.00 0.17 0.00 -0.47 0.00 0.00 61.79 61.06 1c8w h SER 18 Cb 1.19 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.13 1c8w h SER 18 CO 0.46 0.38 0.59 0.00 -0.87 0.00 0.00 176.83 177.39 1c8w s ALA 19 N -3.04 -1.89 -0.07 5.18 0.00 -1.26 -4.84 121.76 115.84 1c8w s ALA 19 Ca 0.02 1.04 -0.30 0.00 0.00 0.00 0.00 51.96 52.72 1c8w s ALA 19 Cb 0.08 0.31 -0.03 0.00 0.00 0.00 0.00 23.12 23.47 1c8w s ALA 19 CO 0.75 -0.73 1.27 0.00 0.00 0.00 0.00 175.76 177.06 1c8w s ALA 20 N -2.92 3.55 -0.14 0.00 0.00 -1.26 -4.93 121.76 116.06 1c8w s ALA 20 Ca 0.07 0.66 0.21 0.00 0.00 0.00 0.00 51.96 52.90 1c8w s ALA 20 Cb -0.01 -3.56 -0.16 0.00 0.00 0.00 0.00 23.12 19.39 1c8w s ALA 20 CO -0.06 -0.91 0.73 0.43 0.00 0.00 0.00 175.76 175.95 1c8w n SER 21 N 5.61 0.50 -4.38 0.00 7.64 -1.26 -4.93 113.62 116.80 1c8w n SER 21 Ca 0.12 0.21 -0.21 0.00 1.01 0.00 0.00 58.87 60.00 1c8w n SER 21 Cb 0.45 0.93 -0.10 0.00 -1.01 0.00 0.00 64.21 64.48 1c8w n SER 21 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1c8w s SER 22 N -5.20 2.88 0.00 6.43 1.04 -1.26 -5.02 113.70 112.58 1c8w s SER 22 Ca -0.04 -0.97 0.20 0.00 0.48 0.00 0.00 55.95 55.61 1c8w s SER 22 Cb 0.10 -0.19 0.92 0.00 0.10 0.00 0.00 66.02 66.95 1c8w s SER 22 CO 0.84 -0.07 1.62 -1.54 0.98 0.00 0.00 173.24 175.07 1c8w n SER 23 N -0.23 0.00 -0.81 7.02 3.41 -1.26 -2.31 113.62 119.44 1c8w n SER 23 Ca -0.09 0.24 0.12 0.00 -0.26 0.00 0.00 58.87 58.89 1c8w n SER 23 Cb 0.59 -0.39 0.27 0.00 -0.26 0.00 0.00 64.21 64.42 1c8w n SER 23 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1c8w n ASN 24 N -1.39 2.51 -0.11 4.04 4.13 -1.26 -4.40 115.26 118.79 1c8w n ASN 24 Ca 0.07 -1.83 -0.05 0.00 1.68 0.00 0.00 54.58 54.45 1c8w n ASN 24 Cb 0.19 -0.05 0.01 0.00 -1.54 0.00 0.00 39.78 38.39 1c8w n ASN 24 CO 0.00 0.00 0.00 0.22 0.28 0.00 0.00 177.26 177.76 1c8w h TYR 25 N 3.76 -0.26 -0.58 3.10 5.03 -1.85 -2.07 116.97 124.10 1c8w h TYR 25 Ca 0.00 0.04 -0.02 0.00 2.58 0.00 0.00 58.73 61.32 1c8w h TYR 25 Cb 0.81 0.17 -0.03 0.00 1.55 0.00 0.00 36.73 39.23 1c8w h TYR 25 CO 0.05 -0.19 0.26 0.00 -1.32 0.00 0.00 178.16 176.96 1c8w h ASN 27 N 0.79 1.13 -0.10 0.00 2.35 -1.72 -0.38 115.58 117.65 1c8w h ASN 27 Ca 0.20 -0.08 -0.06 0.00 -0.55 0.00 0.00 56.30 55.81 1c8w h ASN 27 Cb 0.14 -0.29 -0.00 0.00 0.05 0.00 0.00 38.32 38.23 1c8w h ASN 27 CO -0.02 0.88 -0.16 -0.61 -1.65 0.00 0.00 177.43 175.87 1c8w h GLN 28 N 1.29 0.28 -0.62 0.81 -0.00 -0.93 -3.09 115.11 112.85 1c8w h GLN 28 Ca 0.33 -0.17 -0.08 0.00 -0.00 0.00 0.00 58.65 58.73 1c8w h GLN 28 Cb -0.02 0.02 -0.02 0.00 0.00 0.00 0.00 27.48 27.45 1c8w h GLN 28 CO -0.06 0.75 0.07 0.52 0.00 0.00 0.00 178.83 180.11 1c8w h MET 29 N -0.16 1.03 -0.31 1.69 2.86 -0.74 0.08 114.93 119.38 1c8w h MET 29 Ca 0.01 -0.28 -0.05 0.00 -2.06 0.00 0.00 59.70 57.32 1c8w h MET 29 Cb 0.73 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.26 1c8w h MET 29 CO 0.04 0.97 -0.00 0.52 1.06 0.00 0.00 176.91 179.49 1c8w h MET 30 N 0.96 0.47 -0.01 1.72 2.86 -1.16 -1.06 114.93 118.71 1c8w h MET 30 Ca 0.19 -0.10 -0.04 0.00 -2.06 0.00 0.00 59.70 57.69 1c8w h MET 30 Cb 0.46 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.05 1c8w h MET 30 CO 0.02 0.50 -0.16 -0.22 1.06 0.00 0.00 176.91 178.11 1c8w h LYS 31 N 0.46 0.12 -0.47 1.72 3.64 -1.35 0.71 116.57 121.40 1c8w h LYS 31 Ca 0.10 -0.12 0.05 0.00 -1.27 0.00 0.00 60.65 59.41 1c8w h LYS 31 Cb 0.30 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.13 1c8w h LYS 31 CO 0.01 0.85 0.31 0.77 -2.27 0.00 0.00 179.45 179.12 1c8w h SER 32 N -0.56 0.38 -0.30 4.20 0.02 -0.82 -1.38 113.55 115.10 1c8w h SER 32 Ca -0.02 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1c8w h SER 32 Cb 0.90 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.36 1c8w h SER 32 CO 0.03 0.26 0.00 0.54 -1.14 0.00 0.00 176.83 176.52 1c8w n ARG 33 N -4.48 1.93 -2.93 3.45 5.12 -0.42 -4.90 116.66 114.43 1c8w n ARG 33 Ca 0.06 -1.43 -0.18 0.00 -1.93 0.00 0.00 57.85 54.37 1c8w n ARG 33 Cb 0.21 -1.38 0.03 0.00 -1.16 0.00 0.00 32.46 30.16 1c8w n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1c8w n ASN 34 N 0.65 -5.23 -0.89 0.55 3.02 -0.52 -4.89 115.26 107.94 1c8w n ASN 34 Ca 0.16 -0.26 0.10 0.00 -0.03 0.00 0.00 54.58 54.56 1c8w n ASN 34 Cb 0.38 -4.04 0.27 0.00 -0.61 0.00 0.00 39.78 35.78 1c8w n ASN 34 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1c8w n LEU 35 N -3.36 2.65 -0.10 3.41 4.77 0.24 -4.01 117.00 120.59 1c8w n LEU 35 Ca -0.08 -1.18 0.05 0.00 -0.03 0.00 0.00 56.01 54.77 1c8w n LEU 35 Cb 0.59 -0.23 0.08 0.00 -2.33 0.00 0.00 43.42 41.53 1c8w n LEU 35 CO 0.39 0.59 0.49 0.35 -1.33 0.00 0.00 177.39 177.89 1c8w n THR 36 N 0.95 1.29 0.22 -5.08 -2.24 -1.22 -2.85 114.28 105.35 1c8w n THR 36 Ca 0.18 -1.50 -0.09 0.00 -2.27 0.00 0.00 64.05 60.36 1c8w n THR 36 Cb 0.46 0.13 -0.05 0.00 -2.10 0.00 0.00 70.33 68.77 1c8w n THR 36 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1c8w h LYS 37 N 0.00 -0.56 0.00 -0.78 3.11 -1.90 -3.37 116.57 113.07 1c8w h LYS 37 Ca 0.00 0.04 0.00 0.00 -2.81 0.00 0.00 60.65 57.88 1c8w h LYS 37 Cb 0.92 0.13 0.00 0.00 -1.00 0.00 0.00 32.23 32.28 1c8w h LYS 37 CO 0.00 -0.37 -1.17 -0.25 -2.81 0.00 0.00 179.45 174.85 1c8w n ASP 38 N -3.72 0.79 -3.49 4.20 8.00 -1.26 -5.01 116.55 116.06 1c8w n ASP 38 Ca -0.07 -0.75 -0.04 0.00 0.71 0.00 0.00 54.79 54.64 1c8w n ASP 38 Cb 0.24 1.22 0.00 0.00 -0.02 0.00 0.00 41.12 42.56 1c8w n ASP 38 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1c8w s ARG 39 N -3.00 1.40 -0.44 -1.24 3.03 -1.26 -5.08 118.95 112.36 1c8w s ARG 39 Ca 0.04 -0.85 -0.19 0.00 2.03 0.00 0.00 55.73 56.77 1c8w s ARG 39 Cb 0.15 0.43 0.03 0.00 -1.03 0.00 0.00 34.95 34.52 1c8w s ARG 39 CO 0.83 -0.65 0.52 0.00 -1.13 0.00 0.00 175.30 174.87 1c8w s LYS 41 N 2.40 4.16 0.19 0.00 2.20 -1.13 -4.87 119.74 122.69 1c8w s LYS 41 Ca 0.15 2.49 -0.07 0.00 -0.36 0.00 0.00 55.97 58.19 1c8w s LYS 41 Cb -0.17 -3.49 0.11 0.00 -1.51 0.00 0.00 37.83 32.77 1c8w s LYS 41 CO 0.15 -0.78 1.60 -1.00 -0.36 0.00 0.00 175.35 174.97 1c8w h PRO 42 N 8.13 0.89 -3.79 4.03 0.13 -1.94 -3.44 132.00 136.01 1c8w h PRO 42 Ca -0.44 -0.36 -0.28 0.00 -0.87 0.00 0.00 66.00 64.05 1c8w h PRO 42 Cb 1.21 -0.04 -0.30 0.00 0.13 0.00 0.00 31.00 31.99 1c8w h PRO 42 CO 0.94 1.00 -0.73 0.08 -0.23 0.00 0.00 178.00 179.06 1c8w s VAL 43 N -4.68 0.10 -0.28 1.56 1.01 -1.26 -1.01 120.40 115.83 1c8w s VAL 43 Ca -0.10 0.02 -0.18 0.00 0.00 0.00 0.00 61.98 61.72 1c8w s VAL 43 Cb 0.13 -0.14 0.10 0.00 0.00 0.00 0.00 36.38 36.47 1c8w s VAL 43 CO 0.85 0.07 0.78 0.21 0.00 0.00 0.00 175.10 177.01 1c8w s ASN 44 N 0.39 -0.79 0.09 3.32 2.47 0.37 -5.00 114.94 115.79 1c8w s ASN 44 Ca -0.03 1.30 0.05 0.00 0.42 0.00 0.00 52.86 54.59 1c8w s ASN 44 Cb -0.06 1.32 -0.04 0.00 -1.45 0.00 0.00 41.25 41.03 1c8w s ASN 44 CO -0.01 -0.21 -0.02 -0.83 -3.72 0.00 0.00 177.10 172.31 1c8w s GLY 45 N 1.33 1.89 -0.08 1.21 0.00 -1.26 -0.67 107.32 109.74 1c8w s GLY 45 Ca -0.08 -1.13 0.04 0.00 0.00 0.00 0.00 44.72 43.55 1c8w s GLY 45 CO -0.15 -1.11 -0.20 -1.36 0.00 0.00 0.00 173.10 170.28 1c8w s PHE 46 N -1.28 2.59 -0.21 1.90 0.08 0.00 -4.32 117.98 116.75 1c8w s PHE 46 Ca 0.24 -0.61 -0.07 0.00 0.12 0.00 0.00 56.93 56.61 1c8w s PHE 46 Cb -0.12 -1.67 -0.04 0.00 -0.57 0.00 0.00 43.02 40.62 1c8w s PHE 46 CO 0.17 -0.15 0.07 0.08 -0.10 0.00 0.00 175.22 175.29 1c8w s VAL 47 N -0.12 4.66 -1.03 -0.44 1.01 0.21 -0.54 120.40 124.16 1c8w s VAL 47 Ca -0.03 -0.07 -0.01 0.00 0.00 0.00 0.00 61.98 61.86 1c8w s VAL 47 Cb -0.14 -3.13 0.31 0.00 0.00 0.00 0.00 36.38 33.42 1c8w s VAL 47 CO 0.04 0.41 1.90 1.41 0.00 0.00 0.00 175.10 178.86 1c8w n HIS 48 N 4.01 2.77 -4.28 5.22 -0.00 0.63 -1.67 115.22 121.90 1c8w n HIS 48 Ca -0.16 -2.55 -0.15 0.00 -0.00 0.00 0.00 57.72 54.85 1c8w n HIS 48 Cb 0.52 -1.25 -0.10 0.00 -0.00 0.00 0.00 29.99 29.16 1c8w n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1c8w s GLU 49 N -4.07 1.31 0.72 -0.41 0.41 -1.26 -4.58 118.70 110.81 1c8w s GLU 49 Ca 0.41 -1.69 -0.12 0.00 -0.41 0.00 0.00 54.97 53.16 1c8w s GLU 49 Cb 0.21 -0.19 0.03 0.00 -1.78 0.00 0.00 34.13 32.40 1c8w s GLU 49 CO -0.16 -0.27 1.10 -1.54 -0.49 0.00 0.00 175.26 173.90 1c8w s SER 50 N -3.26 4.82 0.20 -0.19 1.04 -1.26 -4.28 113.70 110.77 1c8w s SER 50 Ca 0.34 1.88 -0.10 0.00 0.48 0.00 0.00 55.95 58.56 1c8w s SER 50 Cb 0.07 -2.53 0.13 0.00 0.10 0.00 0.00 66.02 63.79 1c8w s SER 50 CO 0.11 -1.83 1.80 0.25 0.98 0.00 0.00 173.24 174.55 1c8w h LEU 51 N -0.61 0.93 -0.88 2.42 5.85 -1.98 -1.72 115.31 119.32 1c8w h LEU 51 Ca -0.45 -0.12 0.05 0.00 0.84 0.00 0.00 57.88 58.20 1c8w h LEU 51 Cb 1.24 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 41.97 1c8w h LEU 51 CO 0.53 0.78 0.56 0.00 -0.34 0.00 0.00 178.44 179.97 1c8w h ALA 52 N 1.18 1.19 -0.48 1.25 0.00 -1.99 0.11 119.26 120.53 1c8w h ALA 52 Ca 0.25 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 1c8w h ALA 52 Cb 0.09 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1c8w h ALA 52 CO -0.04 0.37 0.02 -0.44 0.00 0.00 0.00 179.25 179.16 1c8w h ASP 53 N 1.06 0.74 -0.18 0.00 5.19 -1.69 -1.01 116.42 120.53 1c8w h ASP 53 Ca 0.37 -0.17 -0.14 0.00 -0.62 0.00 0.00 57.03 56.47 1c8w h ASP 53 Cb 0.08 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 39.40 1c8w h ASP 53 CO -0.14 0.80 -0.44 0.58 -3.12 0.00 0.00 179.24 176.92 1c8w h VAL 54 N 0.73 1.33 -0.54 -1.35 2.07 -0.80 -3.05 116.25 114.65 1c8w h VAL 54 Ca 0.15 -1.68 -0.01 0.00 0.82 0.00 0.00 66.70 65.98 1c8w h VAL 54 Cb 0.42 1.93 -0.03 0.00 -1.52 0.00 0.00 31.29 32.10 1c8w h VAL 54 CO 0.02 0.52 0.32 1.56 0.02 0.00 0.00 177.57 180.00 1c8w h GLN 55 N 0.28 0.73 0.00 1.57 4.20 -0.62 -1.78 115.11 119.50 1c8w h GLN 55 Ca -0.00 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.64 1c8w h GLN 55 Cb 1.05 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.67 1c8w h GLN 55 CO 0.10 0.52 0.00 0.00 -0.67 0.00 0.00 178.83 178.78 1c8w h ALA 56 N 1.60 1.00 0.00 3.87 0.00 -1.07 -2.26 119.26 122.40 1c8w h ALA 56 Ca 0.19 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1c8w h ALA 56 Cb -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1c8w h ALA 56 CO -0.04 0.00 -0.10 0.28 0.00 0.00 0.00 179.25 179.39 1c8w h VAL 57 N 0.00 0.58 0.00 0.00 2.07 -1.33 -1.71 116.25 115.86 1c8w h VAL 57 Ca 0.00 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.06 1c8w h VAL 57 Cb 0.09 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1c8w h VAL 57 CO 0.00 0.10 0.00 0.00 0.02 0.00 0.00 177.57 177.69 1c8w n SER 59 N -1.35 2.83 0.00 0.00 3.41 -0.64 -5.01 113.62 112.86 1c8w n SER 59 Ca 0.04 -2.41 0.00 0.00 -0.26 0.00 0.00 58.87 56.24 1c8w n SER 59 Cb 0.09 -0.28 0.00 0.00 -0.26 0.00 0.00 64.21 63.76 1c8w n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1c8w n GLN 60 N -0.29 2.93 -2.48 4.33 6.02 -0.38 -5.00 117.38 122.51 1c8w n GLN 60 Ca 0.12 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.68 1c8w n GLN 60 Cb 0.53 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.76 1c8w n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1c8w s LYS 61 N 4.28 3.96 -0.06 -1.09 2.47 -1.08 -4.88 119.74 123.33 1c8w s LYS 61 Ca 0.00 1.19 -0.30 0.00 -1.56 0.00 0.00 55.97 55.31 1c8w s LYS 61 Cb 0.00 -3.84 -0.03 0.00 -1.46 0.00 0.00 37.83 32.50 1c8w s LYS 61 CO 0.00 -1.06 1.14 1.21 0.16 0.00 0.00 175.35 176.80 1c8w s ASN 62 N 2.47 7.11 0.09 1.43 3.04 -1.26 -0.24 114.94 127.58 1c8w s ASN 62 Ca 0.53 1.75 0.01 0.00 0.04 0.00 0.00 52.86 55.19 1c8w s ASN 62 Cb -0.15 -2.56 -0.04 0.00 -1.54 0.00 0.00 41.25 36.96 1c8w s ASN 62 CO 0.21 -0.53 -0.05 0.68 -3.04 0.00 0.00 177.10 174.36 1c8w s VAL 63 N 2.07 0.56 0.52 -5.21 -7.23 -0.18 -4.93 120.40 106.00 1c8w s VAL 63 Ca 0.54 -1.90 -0.21 0.00 -1.81 0.00 0.00 61.98 58.60 1c8w s VAL 63 Cb -0.23 -1.64 -0.06 0.00 0.56 0.00 0.00 36.38 35.00 1c8w s VAL 63 CO 0.21 -0.91 1.16 0.00 -0.31 0.00 0.00 175.10 175.26 1c8w s ALA 64 N -3.71 2.79 0.38 1.32 0.00 -1.26 -3.06 121.76 118.22 1c8w s ALA 64 Ca 0.11 0.90 -0.13 0.00 0.00 0.00 0.00 51.96 52.84 1c8w s ALA 64 Cb 0.06 -3.39 -0.08 0.00 0.00 0.00 0.00 23.12 19.72 1c8w s ALA 64 CO -0.06 -0.78 0.77 0.00 0.00 0.00 0.00 175.76 175.69 1c8w h LYS 66 N 1.71 0.00 -0.01 0.00 1.57 -1.95 1.06 116.57 118.95 1c8w h LYS 66 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1c8w h LYS 66 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.49 1c8w h LYS 66 CO 0.64 0.00 -0.28 0.27 -0.57 0.00 0.00 179.45 179.52 1c8w n ASN 67 N -3.16 1.01 0.00 0.86 0.23 -1.26 -4.95 115.26 107.98 1c8w n ASN 67 Ca 0.05 -0.86 0.00 0.00 -0.53 0.00 0.00 54.58 53.24 1c8w n ASN 67 Cb 0.70 0.15 0.00 0.00 -2.08 0.00 0.00 39.78 38.55 1c8w n ASN 67 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1c8w n GLY 68 N 1.35 1.56 3.78 4.83 0.00 0.37 -5.06 105.19 112.02 1c8w n GLY 68 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 1c8w n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1c8w s GLN 69 N -0.91 2.30 -0.29 1.61 -0.21 -1.26 -4.67 119.66 116.25 1c8w s GLN 69 Ca 0.00 1.01 0.08 0.00 0.02 0.00 0.00 55.36 56.48 1c8w s GLN 69 Cb 0.00 -1.91 0.48 0.00 1.00 0.00 0.00 33.01 32.57 1c8w s GLN 69 CO 0.00 -1.56 1.39 0.25 -2.12 0.00 0.00 175.29 173.25 1c8w n THR 70 N -3.45 2.53 -1.30 -0.19 -2.24 -1.26 0.22 114.28 108.58 1c8w n THR 70 Ca 0.08 -3.12 -0.13 0.00 -2.27 0.00 0.00 64.05 58.60 1c8w n THR 70 Cb 0.54 -0.47 0.20 0.00 -2.10 0.00 0.00 70.33 68.50 1c8w n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1c8w n ASN 71 N -1.05 3.30 -4.92 3.42 6.94 -1.26 -4.78 115.26 116.91 1c8w n ASN 71 Ca 0.33 -3.64 -0.28 0.00 -0.02 0.00 0.00 54.58 50.97 1c8w n ASN 71 Cb 0.93 -0.74 -0.04 0.00 -2.36 0.00 0.00 39.78 37.57 1c8w n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1c8w s TYR 73 N -1.62 -0.07 -0.08 0.00 1.51 -0.01 -1.01 117.35 116.07 1c8w s TYR 73 Ca 0.34 0.17 -0.01 0.00 -1.01 0.00 0.00 57.07 56.57 1c8w s TYR 73 Cb -0.12 0.02 -0.03 0.00 -0.11 0.00 0.00 41.96 41.72 1c8w s TYR 73 CO 0.28 -0.04 -0.03 -1.14 -1.11 0.00 0.00 175.55 173.51 1c8w s GLN 74 N 0.02 2.89 0.35 -0.62 0.74 0.67 -1.34 119.66 122.38 1c8w s GLN 74 Ca -0.00 -0.47 -0.28 0.00 0.05 0.00 0.00 55.36 54.66 1c8w s GLN 74 Cb -0.01 -2.71 -0.10 0.00 1.10 0.00 0.00 33.01 31.29 1c8w s GLN 74 CO 0.00 0.69 1.32 -1.54 -0.55 0.00 0.00 175.29 175.21 1c8w s SER 75 N -0.85 6.65 0.21 6.67 1.04 -0.24 -2.63 113.70 124.55 1c8w s SER 75 Ca 0.13 2.71 -0.05 0.00 0.48 0.00 0.00 55.95 59.22 1c8w s SER 75 Cb -0.11 -2.65 0.19 0.00 0.10 0.00 0.00 66.02 63.55 1c8w s SER 75 CO 0.02 -0.62 1.64 1.88 0.98 0.00 0.00 173.24 177.13 1c8w h TYR 76 N 3.21 0.90 -1.52 5.02 0.05 -1.95 -3.44 116.97 119.24 1c8w h TYR 76 Ca -0.49 -0.19 -0.50 0.00 0.05 0.00 0.00 58.73 57.59 1c8w h TYR 76 Cb 1.23 -0.22 -0.04 0.00 1.01 0.00 0.00 36.73 38.71 1c8w h TYR 76 CO 0.55 0.92 -0.39 -1.54 -1.05 0.00 0.00 178.16 176.65 1c8w s SER 77 N -6.73 4.97 0.52 3.88 1.04 -1.26 -5.08 113.70 111.03 1c8w s SER 77 Ca -0.10 -0.79 -0.13 0.00 0.48 0.00 0.00 55.95 55.41 1c8w s SER 77 Cb 0.13 -0.55 -0.06 0.00 0.10 0.00 0.00 66.02 65.64 1c8w s SER 77 CO 0.84 -0.64 0.94 0.42 0.98 0.00 0.00 173.24 175.77 1c8w s THR 78 N -2.49 4.65 0.10 2.02 -4.23 -1.26 -4.47 115.64 109.95 1c8w s THR 78 Ca 0.47 0.96 0.03 0.00 -1.18 0.00 0.00 61.69 61.97 1c8w s THR 78 Cb -0.02 -3.77 -0.04 0.00 1.34 0.00 0.00 72.50 70.01 1c8w s THR 78 CO 0.27 -0.78 -0.08 -0.04 -0.54 0.00 0.00 174.62 173.45 1c8w s MET 79 N -4.33 0.87 -0.10 3.99 -1.94 0.12 -4.81 119.30 113.09 1c8w s MET 79 Ca 0.56 -1.27 -0.30 0.00 -1.71 0.00 0.00 55.69 52.97 1c8w s MET 79 Cb -0.10 -0.40 -0.02 0.00 2.01 0.00 0.00 34.83 36.31 1c8w s MET 79 CO 0.37 0.04 1.23 0.45 -0.01 0.00 0.00 175.02 177.10 1c8w s SER 80 N -2.79 7.00 0.07 3.03 0.15 -1.26 -1.30 113.70 118.60 1c8w s SER 80 Ca 0.09 1.76 0.00 0.00 0.70 0.00 0.00 55.95 58.51 1c8w s SER 80 Cb 0.01 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.73 1c8w s SER 80 CO -0.02 -0.66 -0.05 -0.51 1.20 0.00 0.00 173.24 173.20 1c8w s ILE 81 N 2.78 0.43 -0.11 6.45 2.07 0.18 -0.26 121.20 132.74 1c8w s ILE 81 Ca 0.55 -1.83 0.00 0.00 -1.41 0.00 0.00 60.65 57.97 1c8w s ILE 81 Cb -0.23 -1.54 0.02 0.00 0.13 0.00 0.00 42.46 40.84 1c8w s ILE 81 CO 0.19 -0.92 -0.10 -0.89 -1.91 0.00 0.00 174.94 171.30 1c8w s THR 82 N -3.68 1.19 -0.07 4.00 2.01 0.30 -0.93 115.64 118.46 1c8w s THR 82 Ca 0.08 -0.42 -0.14 0.00 0.31 0.00 0.00 61.69 61.53 1c8w s THR 82 Cb 0.06 -1.15 -0.05 0.00 0.01 0.00 0.00 72.50 71.37 1c8w s THR 82 CO -0.07 0.39 0.35 -0.62 -0.69 0.00 0.00 174.62 173.98 1c8w s ASP 83 N 1.41 6.65 -0.14 3.53 2.15 0.12 -0.82 116.67 129.57 1c8w s ASP 83 Ca 0.00 0.77 0.01 0.00 0.43 0.00 0.00 52.55 53.76 1c8w s ASP 83 Cb -0.13 -2.21 -0.00 0.00 -0.30 0.00 0.00 42.92 40.27 1c8w s ASP 83 CO -0.06 0.25 -0.18 0.00 -0.17 0.00 0.00 175.17 175.01 1c8w s ARG 85 N 0.68 0.19 0.33 0.00 0.52 -0.98 -0.48 118.95 119.21 1c8w s ARG 85 Ca -0.08 -0.02 -0.29 0.00 -0.52 0.00 0.00 55.73 54.82 1c8w s ARG 85 Cb -0.16 -0.26 -0.11 0.00 0.52 0.00 0.00 34.95 34.94 1c8w s ARG 85 CO 0.02 -0.02 1.45 -2.00 0.02 0.00 0.00 175.30 174.76 1c8w s GLU 86 N 0.33 4.21 0.48 3.54 2.12 -0.18 0.25 118.70 129.43 1c8w s GLU 86 Ca -0.03 2.43 -0.17 0.00 0.36 0.00 0.00 54.97 57.56 1c8w s GLU 86 Cb -0.05 -3.03 -0.08 0.00 0.26 0.00 0.00 34.13 31.22 1c8w s GLU 86 CO -0.01 -0.44 0.94 0.95 -0.54 0.00 0.00 175.26 176.17 1c8w s THR 87 N -0.75 4.54 0.56 -1.70 -4.23 -0.85 -4.79 115.64 108.42 1c8w s THR 87 Ca 0.54 1.19 0.32 0.00 -1.18 0.00 0.00 61.69 62.57 1c8w s THR 87 Cb -0.44 -3.69 0.46 0.00 1.34 0.00 0.00 72.50 70.17 1c8w s THR 87 CO 0.54 -0.57 1.82 1.23 -0.54 0.00 0.00 174.62 177.11 1c8w h GLY 88 N 1.22 0.00 0.00 3.99 0.00 -1.93 -2.79 103.07 103.55 1c8w h GLY 88 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1c8w h GLY 88 CO 0.62 0.00 0.00 1.44 0.00 0.00 0.00 176.54 178.60 1c8w n SER 89 N -3.98 0.00 0.00 0.19 7.64 -1.26 -4.97 113.62 111.24 1c8w n SER 89 Ca 0.17 0.64 0.00 0.00 1.01 0.00 0.00 58.87 60.69 1c8w n SER 89 Cb 0.99 -0.29 0.00 0.00 -1.01 0.00 0.00 64.21 63.90 1c8w n SER 89 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1c8w n SER 90 N -1.38 0.00 -3.76 6.43 2.88 -1.06 -5.02 113.62 111.71 1c8w n SER 90 Ca 0.00 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.35 1c8w n SER 90 Cb 0.00 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.29 1c8w n SER 90 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1c8w s LYS 91 N 0.00 0.21 0.31 -1.46 1.02 -1.17 -4.95 119.74 113.70 1c8w s LYS 91 Ca 0.00 0.18 -0.30 0.00 0.02 0.00 0.00 55.97 55.87 1c8w s LYS 91 Cb 0.00 -0.55 -0.11 0.00 -0.52 0.00 0.00 37.83 36.64 1c8w s LYS 91 CO 0.00 -0.22 1.60 -0.47 -0.92 0.00 0.00 175.35 175.33 1c8w s TYR 92 N 1.52 2.70 -0.38 3.18 5.04 -1.26 0.43 117.35 128.59 1c8w s TYR 92 Ca -0.03 0.80 0.07 0.00 -2.44 0.00 0.00 57.07 55.47 1c8w s TYR 92 Cb -0.13 -4.09 0.58 0.00 0.35 0.00 0.00 41.96 38.67 1c8w s TYR 92 CO -0.03 -3.63 1.58 -0.35 -1.34 0.00 0.00 175.55 171.78 1c8w n PRO 93 N 1.98 3.04 -3.08 4.97 -0.04 -1.26 -4.98 135.00 135.63 1c8w n PRO 93 Ca 0.08 -2.37 -0.40 0.00 -0.04 0.00 0.00 63.50 60.76 1c8w n PRO 93 Cb 0.37 -2.01 -0.01 0.00 -0.04 0.00 0.00 33.50 31.82 1c8w n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1c8w n ASN 94 N -0.11 5.94 -4.73 3.54 4.13 1.47 -5.02 115.26 120.48 1c8w n ASN 94 Ca 0.33 -3.42 -0.42 0.00 1.68 0.00 0.00 54.58 52.75 1c8w n ASN 94 Cb 1.18 -1.16 -0.03 0.00 -1.54 0.00 0.00 39.78 38.24 1c8w n ASN 94 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1c8w s ALA 96 N 0.42 0.59 0.09 0.00 0.00 -1.26 -5.00 121.76 116.60 1c8w s ALA 96 Ca 0.63 -0.05 0.08 0.00 0.00 0.00 0.00 51.96 52.61 1c8w s ALA 96 Cb -0.42 -0.35 -0.03 0.00 0.00 0.00 0.00 23.12 22.32 1c8w s ALA 96 CO 0.39 0.01 -0.20 0.71 0.00 0.00 0.00 175.76 176.66 1c8w s TYR 97 N 0.73 1.74 -0.08 0.00 1.51 -1.26 -2.01 117.35 117.98 1c8w s TYR 97 Ca -0.09 -0.41 -0.17 0.00 -1.01 0.00 0.00 57.07 55.38 1c8w s TYR 97 Cb -0.12 -0.97 -0.05 0.00 -0.11 0.00 0.00 41.96 40.71 1c8w s TYR 97 CO -0.00 0.18 0.45 0.21 -1.11 0.00 0.00 175.55 175.28 1c8w s LYS 98 N -1.77 4.24 -0.23 -0.62 2.20 0.14 -4.64 119.74 119.06 1c8w s LYS 98 Ca 0.06 0.43 -0.09 0.00 -0.36 0.00 0.00 55.97 56.01 1c8w s LYS 98 Cb -0.10 -3.38 -0.04 0.00 -1.51 0.00 0.00 37.83 32.80 1c8w s LYS 98 CO 0.04 0.31 0.11 0.99 -0.36 0.00 0.00 175.35 176.44 1c8w s THR 99 N 0.14 4.98 -0.19 3.43 2.01 -1.26 -2.33 115.64 122.42 1c8w s THR 99 Ca 0.25 0.04 -0.00 0.00 0.31 0.00 0.00 61.69 62.29 1c8w s THR 99 Cb -0.16 -3.30 0.05 0.00 0.01 0.00 0.00 72.50 69.10 1c8w s THR 99 CO 0.11 0.38 -0.04 -0.89 -0.69 0.00 0.00 174.62 173.48 1c8w s THR 100 N 0.98 1.17 -0.02 -0.82 2.01 -0.60 -4.99 115.64 113.37 1c8w s THR 100 Ca 0.06 -0.79 -0.19 0.00 0.31 0.00 0.00 61.69 61.08 1c8w s THR 100 Cb -0.14 -1.41 -0.05 0.00 0.01 0.00 0.00 72.50 70.92 1c8w s THR 100 CO 0.03 0.03 0.53 -1.58 -0.69 0.00 0.00 174.62 172.94 1c8w s GLN 101 N 1.59 4.24 0.26 4.92 2.00 -1.26 0.12 119.66 131.52 1c8w s GLN 101 Ca -0.01 0.62 -0.19 0.00 -2.00 0.00 0.00 55.36 53.78 1c8w s GLN 101 Cb -0.16 -3.33 0.02 0.00 0.80 0.00 0.00 33.01 30.34 1c8w s GLN 101 CO -0.07 0.42 0.64 0.00 -0.50 0.00 0.00 175.29 175.77 1c8w s ALA 102 N -0.31 -0.98 -0.23 1.58 0.00 -0.11 -4.99 121.76 116.72 1c8w s ALA 102 Ca 0.28 -0.39 -0.01 0.00 0.00 0.00 0.00 51.96 51.85 1c8w s ALA 102 Cb -0.17 0.90 0.03 0.00 0.00 0.00 0.00 23.12 23.88 1c8w s ALA 102 CO 0.15 -0.96 -0.10 -0.80 0.00 0.00 0.00 175.76 174.06 1c8w s ASN 103 N -2.93 4.08 0.29 0.00 0.01 -1.26 -0.64 114.94 114.48 1c8w s ASN 103 Ca 0.13 -0.87 -0.17 0.00 -0.71 0.00 0.00 52.86 51.24 1c8w s ASN 103 Cb -0.04 -1.61 0.02 0.00 0.41 0.00 0.00 41.25 40.02 1c8w s ASN 103 CO 0.05 -0.10 0.64 -1.59 -1.51 0.00 0.00 177.10 174.59 1c8w s LYS 104 N 1.29 1.77 0.40 -0.60 -2.85 -0.42 -4.80 119.74 114.54 1c8w s LYS 104 Ca 0.00 -1.17 -0.23 0.00 -1.00 0.00 0.00 55.97 53.57 1c8w s LYS 104 Cb -0.16 0.56 -0.10 0.00 -2.06 0.00 0.00 37.83 36.06 1c8w s LYS 104 CO -0.06 -0.79 0.97 -1.01 0.10 0.00 0.00 175.35 174.56 1c8w s HIS 105 N -3.71 3.37 0.17 1.78 3.76 0.15 0.11 115.29 120.93 1c8w s HIS 105 Ca 0.16 1.66 0.07 0.00 -0.15 0.00 0.00 55.06 56.81 1c8w s HIS 105 Cb -0.04 -2.94 -0.04 0.00 1.11 0.00 0.00 32.58 30.67 1c8w s HIS 105 CO 0.09 -0.19 -0.00 0.96 -0.85 0.00 0.00 174.74 174.75 1c8w s ILE 106 N -1.91 3.72 -0.13 0.60 -4.36 -1.26 0.30 121.20 118.15 1c8w s ILE 106 Ca 0.59 -1.43 0.01 0.00 -0.26 0.00 0.00 60.65 59.56 1c8w s ILE 106 Cb -0.15 -2.87 0.02 0.00 1.25 0.00 0.00 42.46 40.71 1c8w s ILE 106 CO 0.19 -0.11 -0.13 -0.63 0.24 0.00 0.00 174.94 174.50 1c8w s ILE 107 N -1.73 1.43 0.18 8.37 1.01 0.09 -1.08 121.20 129.48 1c8w s ILE 107 Ca 0.27 -0.56 0.08 0.00 0.00 0.00 0.00 60.65 60.44 1c8w s ILE 107 Cb -0.09 -1.35 -0.04 0.00 0.01 0.00 0.00 42.46 40.98 1c8w s ILE 107 CO 0.19 0.43 -0.16 0.68 0.00 0.00 0.00 174.94 176.08 1c8w s VAL 108 N 1.40 1.72 -0.16 2.92 -7.23 -0.45 -0.61 120.40 118.00 1c8w s VAL 108 Ca 0.02 -2.07 -0.09 0.00 -1.81 0.00 0.00 61.98 58.03 1c8w s VAL 108 Cb -0.13 -1.93 -0.05 0.00 0.56 0.00 0.00 36.38 34.83 1c8w s VAL 108 CO -0.08 -0.49 0.13 0.00 -0.31 0.00 0.00 175.10 174.35 1c8w s ALA 109 N -2.61 3.75 0.19 1.32 0.00 0.06 -0.83 121.76 123.64 1c8w s ALA 109 Ca 0.19 -0.67 0.11 0.00 0.00 0.00 0.00 51.96 51.59 1c8w s ALA 109 Cb -0.03 -2.07 -0.04 0.00 0.00 0.00 0.00 23.12 20.98 1c8w s ALA 109 CO 0.06 0.36 -0.23 0.00 0.00 0.00 0.00 175.76 175.95 1c8w s GLU 111 N -2.63 1.03 0.62 0.00 2.12 -0.05 -4.90 118.70 114.89 1c8w s GLU 111 Ca 0.21 -0.41 0.00 0.00 0.36 0.00 0.00 54.97 55.13 1c8w s GLU 111 Cb -0.08 0.45 0.00 0.00 0.26 0.00 0.00 34.13 34.76 1c8w s GLU 111 CO 0.10 -0.45 0.00 0.41 -0.54 0.00 0.00 175.26 174.78 1c8w n GLY 112 N -0.31 -1.94 2.77 -1.50 0.00 -1.26 -2.03 105.19 100.92 1c8w n GLY 112 Ca -0.11 -1.67 -0.17 0.00 0.00 0.00 0.00 46.02 44.07 1c8w n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1c8w s ASN 113 N -4.00 1.27 0.69 1.61 2.47 -1.26 -2.02 114.94 113.71 1c8w s ASN 113 Ca 0.00 -0.21 -0.15 0.00 0.42 0.00 0.00 52.86 52.92 1c8w s ASN 113 Cb 0.00 0.48 0.02 0.00 -1.45 0.00 0.00 41.25 40.30 1c8w s ASN 113 CO 0.00 -0.33 1.14 -2.16 -3.72 0.00 0.00 177.10 172.03 1c8w s PRO 114 N 2.35 2.53 -0.60 0.43 0.04 -1.26 -5.08 135.00 133.41 1c8w s PRO 114 Ca 0.08 1.49 -0.28 0.00 0.04 0.00 0.00 61.00 62.33 1c8w s PRO 114 Cb -0.16 -1.91 0.03 0.00 0.04 0.00 0.00 34.50 32.51 1c8w s PRO 114 CO -0.14 -1.48 1.21 -0.47 0.04 0.00 0.00 177.00 176.16 1c8w s TYR 115 N -2.27 2.56 0.30 0.56 5.04 -0.86 -4.85 117.35 117.83 1c8w s TYR 115 Ca 0.69 0.35 0.02 0.00 -2.44 0.00 0.00 57.07 55.69 1c8w s TYR 115 Cb -0.23 -4.53 -0.05 0.00 0.35 0.00 0.00 41.96 37.50 1c8w s TYR 115 CO 0.44 -1.66 0.10 0.14 -1.34 0.00 0.00 175.55 173.22 1c8w s VAL 116 N 5.08 0.72 0.20 3.14 -7.23 -0.86 -4.81 120.40 116.64 1c8w s VAL 116 Ca 0.42 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.29 1c8w s VAL 116 Cb -0.08 -2.64 -0.09 0.00 0.56 0.00 0.00 36.38 34.13 1c8w s VAL 116 CO 0.24 0.00 1.28 -2.84 -0.31 0.00 0.00 175.10 173.47 1c8w s PRO 117 N -3.94 4.41 0.00 4.82 0.02 -1.26 -0.87 135.00 138.18 1c8w s PRO 117 Ca 0.36 2.01 0.00 0.00 0.02 0.00 0.00 61.00 63.39 1c8w s PRO 117 Cb 0.07 -3.20 0.00 0.00 0.02 0.00 0.00 34.50 31.39 1c8w s PRO 117 CO 0.15 -0.22 0.00 1.33 -0.33 0.00 0.00 177.00 177.93 1c8w n VAL 118 N 2.59 0.00 -3.60 3.83 0.24 0.30 -4.61 118.33 117.08 1c8w n VAL 118 Ca 0.06 -0.16 -0.15 0.00 -2.04 0.00 0.00 64.34 62.05 1c8w n VAL 118 Cb 0.43 0.64 -0.06 0.00 -1.47 0.00 0.00 33.84 33.38 1c8w n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1c8w s HIS 119 N -1.22 -0.42 -0.26 6.34 5.65 -1.18 -4.65 115.29 119.54 1c8w s HIS 119 Ca 0.00 0.57 0.03 0.00 0.25 0.00 0.00 55.06 55.90 1c8w s HIS 119 Cb 0.00 0.31 0.06 0.00 -1.18 0.00 0.00 32.58 31.77 1c8w s HIS 119 CO 0.00 -0.59 -0.10 0.12 -0.65 0.00 0.00 174.74 173.52 1c8w s PHE 120 N -1.99 3.23 0.06 3.88 5.99 -1.26 -0.76 117.98 127.14 1c8w s PHE 120 Ca -0.08 -2.32 -0.21 0.00 0.00 0.00 0.00 56.93 54.32 1c8w s PHE 120 Cb -0.01 -1.95 -0.12 0.00 0.00 0.00 0.00 43.02 40.94 1c8w s PHE 120 CO 0.02 -0.88 1.51 0.22 -0.00 0.00 0.00 175.22 176.09 1c8w h ASP 121 N 7.78 0.26 -2.39 6.13 3.58 -1.18 -3.48 116.42 127.11 1c8w h ASP 121 Ca -0.18 -0.28 -0.05 0.00 0.42 0.00 0.00 57.03 56.93 1c8w h ASP 121 Cb 1.04 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 42.02 1c8w h ASP 121 CO 0.46 0.48 0.10 0.00 -2.88 0.00 0.00 179.24 177.40 1c8w n ALA 122 N -2.29 -0.86 -2.86 -0.78 0.00 -1.20 -5.01 120.51 107.50 1c8w n ALA 122 Ca -0.05 -0.81 -0.12 0.00 0.00 0.00 0.00 53.44 52.45 1c8w n ALA 122 Cb 0.20 0.65 -0.13 0.00 0.00 0.00 0.00 19.45 20.16 1c8w n ALA 122 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1c8w s SER 123 N -2.26 0.24 0.00 0.00 1.04 -1.26 -0.73 113.70 110.74 1c8w s SER 123 Ca 0.11 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.40 1c8w s SER 123 Cb -0.02 0.00 0.00 0.00 0.10 0.00 0.00 66.02 66.10 1c8w s SER 123 CO 0.08 -0.05 0.01 0.55 0.98 0.00 0.00 173.24 174.81