#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gdm s ALA 4 N 0.00 0.96 0.78 7.82 0.00 -1.26 -4.96 121.76 125.10 3gdm s ALA 4 Ca 0.00 -0.67 -0.11 0.00 0.00 0.00 0.00 51.96 51.18 3gdm s ALA 4 Cb 0.00 -2.99 0.06 0.00 0.00 0.00 0.00 23.12 20.19 3gdm s ALA 4 CO 0.00 -3.07 1.09 0.95 0.00 0.00 0.00 175.76 174.73 3gdm s THR 5 N -3.08 3.35 0.30 0.00 -4.23 -1.26 -4.81 115.64 105.91 3gdm s THR 5 Ca 0.68 0.44 -0.02 0.00 -1.18 0.00 0.00 61.69 61.61 3gdm s THR 5 Cb -0.14 -2.97 0.24 0.00 1.34 0.00 0.00 72.50 70.97 3gdm s THR 5 CO 0.56 -0.57 1.94 1.88 -0.54 0.00 0.00 174.62 177.89 3gdm h TYR 6 N -1.12 0.98 -0.55 3.99 0.05 -1.95 -0.71 116.97 117.67 3gdm h TYR 6 Ca -0.44 0.00 0.03 0.00 0.05 0.00 0.00 58.73 58.36 3gdm h TYR 6 Cb 1.24 -0.32 -0.04 0.00 1.01 0.00 0.00 36.73 38.62 3gdm h TYR 6 CO 0.56 0.66 0.33 -0.22 -1.05 0.00 0.00 178.16 178.43 3gdm h LYS 7 N 1.03 0.63 -0.25 4.88 3.64 -1.92 -0.95 116.57 123.64 3gdm h LYS 7 Ca 0.27 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.56 3gdm h LYS 7 Cb -0.04 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.63 3gdm h LYS 7 CO -0.05 0.42 -0.07 0.93 -2.27 0.00 0.00 179.45 178.41 3gdm h GLU 8 N 0.65 0.48 -0.40 1.90 5.08 -1.75 -3.04 114.58 117.50 3gdm h GLU 8 Ca 0.22 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 3gdm h GLU 8 Cb 0.03 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 3gdm h GLU 8 CO -0.10 0.71 0.22 0.00 -1.00 0.00 0.00 179.01 178.84 3gdm h ARG 9 N 0.22 0.53 -0.48 2.33 3.08 -0.91 -2.10 114.38 117.05 3gdm h ARG 9 Ca 0.06 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 60.00 3gdm h ARG 9 Cb 0.54 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 3gdm h ARG 9 CO 0.03 0.39 0.01 0.00 -1.07 0.00 0.00 179.97 179.33 3gdm h ALA 10 N 1.70 1.12 0.00 0.04 0.00 -1.07 -1.68 119.26 119.37 3gdm h ALA 10 Ca 0.14 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 3gdm h ALA 10 Cb 0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3gdm h ALA 10 CO -0.02 0.57 -0.28 0.00 0.00 0.00 0.00 179.25 179.52 3gdm h ALA 11 N 1.27 1.10 -0.00 0.00 0.00 -1.28 -3.32 119.26 117.04 3gdm h ALA 11 Ca 0.15 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3gdm h ALA 11 Cb 0.44 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3gdm h ALA 11 CO 0.02 0.34 -0.24 0.25 0.00 0.00 0.00 179.25 179.62 3gdm n THR 12 N -3.57 0.00 -1.88 0.00 -2.24 -1.16 -5.04 114.28 100.39 3gdm n THR 12 Ca -0.01 -0.38 -0.42 0.00 -2.27 0.00 0.00 64.05 60.98 3gdm n THR 12 Cb 0.42 1.02 -0.02 0.00 -2.10 0.00 0.00 70.33 69.64 3gdm n THR 12 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 3gdm s HIS 13 N -1.43 2.93 0.11 4.78 2.46 -0.64 -4.91 115.29 118.59 3gdm s HIS 13 Ca 0.03 0.77 0.34 0.00 0.47 0.00 0.00 55.06 56.67 3gdm s HIS 13 Cb 0.05 -3.97 1.37 0.00 -0.13 0.00 0.00 32.58 29.91 3gdm s HIS 13 CO 0.22 -3.35 1.99 -1.00 -2.47 0.00 0.00 174.74 170.13 3gdm h PRO 14 N 5.59 0.00 -4.98 2.88 0.13 -1.91 -3.43 132.00 130.29 3gdm h PRO 14 Ca -0.45 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.03 3gdm h PRO 14 Cb 1.21 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.18 3gdm h PRO 14 CO 0.84 0.00 -0.36 0.45 -0.23 0.00 0.00 178.00 178.70 3gdm s SER 15 N -5.70 6.14 0.31 1.44 0.15 -1.26 -4.71 113.70 110.08 3gdm s SER 15 Ca 0.01 -0.02 0.02 0.00 0.70 0.00 0.00 55.95 56.67 3gdm s SER 15 Cb 0.09 -2.17 0.59 0.00 -1.71 0.00 0.00 66.02 62.81 3gdm s SER 15 CO 0.54 -0.19 1.89 -0.65 1.20 0.00 0.00 173.24 176.03 3gdm h PRO 16 N 8.35 0.93 -0.23 5.44 0.11 -1.82 -0.33 132.00 144.44 3gdm h PRO 16 Ca -0.32 -0.06 -0.12 0.00 0.11 0.00 0.00 66.00 65.62 3gdm h PRO 16 Cb 1.17 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 3gdm h PRO 16 CO 0.63 0.62 -0.35 -0.24 -0.21 0.00 0.00 178.00 178.45 3gdm h VAL 17 N 0.96 1.29 -0.31 3.15 3.04 -1.87 -0.83 116.25 121.67 3gdm h VAL 17 Ca 0.42 -1.46 -0.16 0.00 -1.01 0.00 0.00 66.70 64.50 3gdm h VAL 17 Cb 0.36 1.49 -0.00 0.00 -2.01 0.00 0.00 31.29 31.12 3gdm h VAL 17 CO -0.18 0.46 -0.44 0.00 -1.01 0.00 0.00 177.57 176.40 3gdm h ALA 18 N 1.20 0.48 -0.79 3.17 0.00 -1.71 -1.60 119.26 120.01 3gdm h ALA 18 Ca 0.05 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 3gdm h ALA 18 Cb 0.81 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 3gdm h ALA 18 CO 0.07 0.61 0.41 0.00 0.00 0.00 0.00 179.25 180.33 3gdm h ALA 19 N 0.71 1.01 -0.74 0.00 0.00 -0.93 -0.70 119.26 118.61 3gdm h ALA 19 Ca 0.03 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 3gdm h ALA 19 Cb 1.03 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 3gdm h ALA 19 CO 0.10 0.55 0.33 -0.22 0.00 0.00 0.00 179.25 180.01 3gdm h LYS 20 N 1.10 1.08 -0.30 0.00 3.64 -0.95 -1.93 116.57 119.21 3gdm h LYS 20 Ca 0.27 -0.17 -0.06 0.00 -1.27 0.00 0.00 60.65 59.42 3gdm h LYS 20 Cb 0.07 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 3gdm h LYS 20 CO -0.04 0.86 -0.05 1.25 -2.27 0.00 0.00 179.45 179.20 3gdm h LEU 21 N 1.05 0.57 -1.26 5.20 5.85 -0.79 -1.53 115.31 124.39 3gdm h LEU 21 Ca 0.25 -0.35 -0.02 0.00 0.84 0.00 0.00 57.88 58.61 3gdm h LEU 21 Cb 0.15 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 3gdm h LEU 21 CO -0.03 0.78 0.27 -0.26 -0.34 0.00 0.00 178.44 178.86 3gdm h PHE 22 N 0.34 0.77 -0.28 1.25 0.05 -1.01 -0.61 116.94 117.46 3gdm h PHE 22 Ca 0.08 -0.02 -0.15 0.00 3.82 0.00 0.00 57.97 61.70 3gdm h PHE 22 Cb 0.52 -0.24 -0.01 0.00 2.00 0.00 0.00 35.95 38.22 3gdm h PHE 22 CO 0.05 0.56 -0.42 -0.91 -0.18 0.00 0.00 178.31 177.41 3gdm h ASN 23 N 0.78 0.72 -0.39 2.17 -0.26 -1.19 -0.85 115.58 116.57 3gdm h ASN 23 Ca 0.19 -0.33 -0.02 0.00 -0.56 0.00 0.00 56.30 55.58 3gdm h ASN 23 Cb 0.08 -0.20 -0.02 0.00 -1.06 0.00 0.00 38.32 37.12 3gdm h ASN 23 CO -0.03 1.05 0.17 0.40 -1.06 0.00 0.00 177.43 177.97 3gdm h ILE 24 N 0.55 1.18 -0.41 2.81 2.04 -0.55 0.61 117.51 123.74 3gdm h ILE 24 Ca 0.04 -0.53 -0.00 0.00 1.00 0.00 0.00 64.86 65.37 3gdm h ILE 24 Cb 0.96 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 37.83 3gdm h ILE 24 CO 0.09 0.19 0.24 0.24 0.00 0.00 0.00 178.15 178.92 3gdm h MET 25 N 0.48 0.56 -0.20 2.37 2.86 -0.97 -1.10 114.93 118.93 3gdm h MET 25 Ca 0.13 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.69 3gdm h MET 25 Cb 0.14 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 3gdm h MET 25 CO -0.01 0.42 0.02 1.25 1.06 0.00 0.00 176.91 179.65 3gdm h HIS 26 N 0.54 0.37 -0.03 -0.22 -0.00 -0.95 -0.44 115.15 114.42 3gdm h HIS 26 Ca 0.15 -0.06 -0.10 0.00 -0.00 0.00 0.00 60.37 60.36 3gdm h HIS 26 Cb 0.01 -0.10 -0.01 0.00 -0.00 0.00 0.00 27.41 27.31 3gdm h HIS 26 CO -0.03 0.51 -0.43 0.93 -0.00 0.00 0.00 177.93 178.91 3gdm h GLU 27 N 0.13 0.07 -0.08 5.26 5.08 -0.77 -3.16 114.58 121.10 3gdm h GLU 27 Ca 0.06 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3gdm h GLU 27 Cb 0.35 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 3gdm h GLU 27 CO 0.01 0.49 0.00 1.63 -1.00 0.00 0.00 179.01 180.14 3gdm n LYS 28 N -4.02 1.73 -3.73 2.33 5.02 -0.43 -4.99 118.16 114.08 3gdm n LYS 28 Ca -0.02 -1.71 -0.25 0.00 -2.02 0.00 0.00 58.31 54.32 3gdm n LYS 28 Cb 0.47 -1.37 0.03 0.00 -0.02 0.00 0.00 35.03 34.13 3gdm n LYS 28 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3gdm n GLN 29 N 1.08 -3.15 -3.82 1.97 6.02 -0.24 -4.99 117.38 114.24 3gdm n GLN 29 Ca 0.12 0.53 -0.12 0.00 -0.01 0.00 0.00 57.00 57.52 3gdm n GLN 29 Cb 0.48 -4.72 -0.11 0.00 1.02 0.00 0.00 30.24 26.91 3gdm n GLN 29 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 3gdm s THR 30 N -3.66 0.02 -0.08 5.09 -1.32 -0.79 -4.81 115.64 110.10 3gdm s THR 30 Ca 0.18 -0.19 0.12 0.00 -1.21 0.00 0.00 61.69 60.59 3gdm s THR 30 Cb -0.06 -0.34 0.23 0.00 -1.51 0.00 0.00 72.50 70.82 3gdm s THR 30 CO 0.84 -0.10 1.11 -0.46 -2.21 0.00 0.00 174.62 173.80 3gdm n ASN 31 N 2.52 1.32 -4.71 8.08 0.23 -1.26 -4.29 115.26 117.15 3gdm n ASN 31 Ca -0.15 -2.71 -0.39 0.00 -0.53 0.00 0.00 54.58 50.80 3gdm n ASN 31 Cb 0.58 -0.35 -0.06 0.00 -2.08 0.00 0.00 39.78 37.87 3gdm n ASN 31 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 3gdm s LEU 32 N -1.63 4.25 -0.23 -4.53 2.96 -1.26 -1.11 118.68 117.12 3gdm s LEU 32 Ca 0.22 0.88 -0.04 0.00 -0.22 0.00 0.00 54.13 54.97 3gdm s LEU 32 Cb 0.21 -2.80 -0.00 0.00 0.50 0.00 0.00 46.19 44.10 3gdm s LEU 32 CO -0.02 -0.08 -0.03 0.00 -1.32 0.00 0.00 176.35 174.91 3gdm s ALA 34 N 1.47 3.61 -0.26 0.00 0.00 -0.64 -0.96 121.76 124.97 3gdm s ALA 34 Ca 0.05 -0.05 0.02 0.00 0.00 0.00 0.00 51.96 51.97 3gdm s ALA 34 Cb -0.15 -2.56 0.07 0.00 0.00 0.00 0.00 23.12 20.48 3gdm s ALA 34 CO -0.02 0.43 -0.05 0.45 0.00 0.00 0.00 175.76 176.57 3gdm s SER 35 N -1.25 4.14 -0.76 0.00 0.15 0.23 -0.68 113.70 115.53 3gdm s SER 35 Ca 0.30 -1.39 0.03 0.00 0.70 0.00 0.00 55.95 55.59 3gdm s SER 35 Cb -0.18 -1.32 0.22 0.00 -1.71 0.00 0.00 66.02 63.03 3gdm s SER 35 CO 0.18 -0.25 0.72 0.18 1.20 0.00 0.00 173.24 175.27 3gdm n LEU 36 N 4.56 3.81 -3.79 3.45 4.77 -1.25 -4.17 117.00 124.37 3gdm n LEU 36 Ca -0.10 -5.28 -0.42 0.00 -0.03 0.00 0.00 56.01 50.19 3gdm n LEU 36 Cb 0.43 -0.85 -0.02 0.00 -2.33 0.00 0.00 43.42 40.66 3gdm n LEU 36 CO 0.19 1.81 2.43 0.47 -1.33 0.00 0.00 177.39 180.96 3gdm n ASP 37 N 1.61 3.53 -4.85 -1.43 8.00 -1.26 -4.91 116.55 117.25 3gdm n ASP 37 Ca 0.24 -2.80 -0.22 0.00 0.71 0.00 0.00 54.79 52.73 3gdm n ASP 37 Cb 0.37 -1.51 -0.04 0.00 -0.02 0.00 0.00 41.12 39.92 3gdm n ASP 37 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3gdm s VAL 38 N 4.06 4.59 -0.72 2.53 -7.23 -1.26 -5.05 120.40 117.31 3gdm s VAL 38 Ca 0.51 -1.32 0.25 0.00 -1.81 0.00 0.00 61.98 59.61 3gdm s VAL 38 Cb 0.13 -3.48 0.08 0.00 0.56 0.00 0.00 36.38 33.68 3gdm s VAL 38 CO -0.01 -0.34 1.42 0.54 -0.31 0.00 0.00 175.10 176.41 3gdm n ARG 39 N -1.18 0.23 -4.99 4.82 5.12 -1.26 -4.63 116.66 114.78 3gdm n ARG 39 Ca -0.08 0.09 -0.31 0.00 -1.93 0.00 0.00 57.85 55.62 3gdm n ARG 39 Cb 0.58 -1.67 -0.14 0.00 -1.16 0.00 0.00 32.46 30.07 3gdm n ARG 39 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3gdm s THR 40 N -3.13 2.44 0.25 0.55 -4.23 -1.26 -0.10 115.64 110.16 3gdm s THR 40 Ca 0.08 -1.12 -0.05 0.00 -1.18 0.00 0.00 61.69 59.43 3gdm s THR 40 Cb 0.14 -1.93 0.24 0.00 1.34 0.00 0.00 72.50 72.29 3gdm s THR 40 CO 0.69 0.48 1.88 0.74 -0.54 0.00 0.00 174.62 177.87 3gdm h THR 41 N 4.28 1.12 -0.15 3.99 2.02 -1.91 -1.33 112.91 120.93 3gdm h THR 41 Ca -0.46 -0.39 0.03 0.00 0.77 0.00 0.00 66.41 66.36 3gdm h THR 41 Cb 1.14 -0.13 -0.03 0.00 -1.74 0.00 0.00 68.15 67.39 3gdm h THR 41 CO 0.47 0.21 -0.06 0.50 0.37 0.00 0.00 175.52 177.01 3gdm h LYS 42 N 1.15 -0.04 -0.42 6.66 3.64 -1.95 -0.12 116.57 125.50 3gdm h LYS 42 Ca 0.39 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.64 3gdm h LYS 42 Cb 0.07 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 3gdm h LYS 42 CO -0.14 -0.02 -0.27 1.49 -2.27 0.00 0.00 179.45 178.23 3gdm h GLU 43 N -0.04 0.90 -0.12 1.90 4.81 -1.92 -2.29 114.58 117.82 3gdm h GLU 43 Ca 0.08 -0.41 0.03 0.00 -0.13 0.00 0.00 59.36 58.93 3gdm h GLU 43 Cb 0.16 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.49 3gdm h GLU 43 CO -0.18 1.06 -0.06 1.25 -0.73 0.00 0.00 179.01 180.35 3gdm h LEU 44 N 0.77 -0.21 -1.17 1.64 5.85 -0.83 -0.81 115.31 120.55 3gdm h LEU 44 Ca 0.09 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 3gdm h LEU 44 Cb 0.83 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.95 3gdm h LEU 44 CO 0.07 -0.09 0.34 -0.07 -0.34 0.00 0.00 178.44 178.36 3gdm h LEU 45 N -0.05 0.82 -0.09 2.25 3.38 -0.96 0.53 115.31 121.19 3gdm h LEU 45 Ca 0.07 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3gdm h LEU 45 Cb 0.16 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 3gdm h LEU 45 CO -0.16 0.68 0.02 -0.33 0.09 0.00 0.00 178.44 178.74 3gdm h GLU 46 N 0.92 0.14 -0.62 1.13 5.08 -0.87 -1.70 114.58 118.66 3gdm h GLU 46 Ca 0.23 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.47 3gdm h GLU 46 Cb 0.05 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 3gdm h GLU 46 CO -0.03 0.32 0.06 -0.07 -1.00 0.00 0.00 179.01 178.28 3gdm h LEU 47 N -0.07 1.02 -0.80 1.33 3.38 -0.89 -2.40 115.31 116.88 3gdm h LEU 47 Ca 0.03 -0.26 -0.06 0.00 0.09 0.00 0.00 57.88 57.68 3gdm h LEU 47 Cb 0.24 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 3gdm h LEU 47 CO 0.00 1.04 0.23 0.58 0.09 0.00 0.00 178.44 180.37 3gdm h VAL 48 N 0.98 1.26 -0.32 1.22 2.07 -0.81 -1.28 116.25 119.36 3gdm h VAL 48 Ca 0.19 -0.90 -0.12 0.00 0.82 0.00 0.00 66.70 66.69 3gdm h VAL 48 Cb 0.48 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 3gdm h VAL 48 CO 0.02 0.35 -0.29 -0.08 0.02 0.00 0.00 177.57 177.60 3gdm h GLU 49 N 1.08 0.67 -0.24 1.57 4.81 -1.11 0.32 114.58 121.68 3gdm h GLU 49 Ca 0.23 -0.29 -0.10 0.00 -0.13 0.00 0.00 59.36 59.08 3gdm h GLU 49 Cb 0.30 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 3gdm h GLU 49 CO -0.01 0.88 -0.27 0.00 -0.73 0.00 0.00 179.01 178.88 3gdm h ALA 50 N 1.11 1.08 0.00 2.92 0.00 -1.12 -3.17 119.26 120.07 3gdm h ALA 50 Ca 0.07 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3gdm h ALA 50 Cb 0.78 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3gdm h ALA 50 CO 0.06 0.56 -1.10 1.28 0.00 0.00 0.00 179.25 180.06 3gdm n LEU 51 N -4.11 0.62 -0.35 0.00 4.77 -0.51 -4.50 117.00 112.93 3gdm n LEU 51 Ca -0.01 0.13 0.04 0.00 -0.03 0.00 0.00 56.01 56.14 3gdm n LEU 51 Cb 0.42 -0.08 0.11 0.00 -2.33 0.00 0.00 43.42 41.54 3gdm n LEU 51 CO 0.42 -0.05 0.65 1.23 -1.33 0.00 0.00 177.39 178.31 3gdm h GLY 52 N 4.29 0.56 2.00 -0.72 0.00 -0.33 0.89 103.07 109.76 3gdm h GLY 52 Ca 0.00 0.35 -0.00 0.00 0.00 0.00 0.00 47.33 47.68 3gdm h GLY 52 CO 0.00 -0.33 -0.02 -2.55 0.00 0.00 0.00 176.54 173.64 3gdm h PRO 53 N -0.01 0.00 -0.02 4.80 0.11 -1.81 -3.12 132.00 131.96 3gdm h PRO 53 Ca 0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.54 3gdm h PRO 53 Cb 0.68 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.79 3gdm h PRO 53 CO -0.98 0.02 -0.12 1.63 -0.21 0.00 0.00 178.00 178.34 3gdm n LYS 54 N -3.21 1.56 -4.40 1.05 4.76 0.29 -5.01 118.16 113.21 3gdm n LYS 54 Ca -0.02 -1.34 -0.24 0.00 -2.87 0.00 0.00 58.31 53.85 3gdm n LYS 54 Cb 0.17 -1.34 -0.09 0.00 -1.84 0.00 0.00 35.03 31.93 3gdm n LYS 54 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 3gdm s ILE 55 N -1.69 2.75 -0.27 -0.18 -4.36 -1.07 -4.62 121.20 111.75 3gdm s ILE 55 Ca 0.19 -2.16 0.09 0.00 -0.26 0.00 0.00 60.65 58.51 3gdm s ILE 55 Cb 0.15 -2.59 -0.11 0.00 1.25 0.00 0.00 42.46 41.16 3gdm s ILE 55 CO 0.30 -0.33 0.30 0.00 0.24 0.00 0.00 174.94 175.45 3gdm s LEU 57 N -2.81 -0.27 -0.14 0.00 2.96 -1.22 -1.92 118.68 115.27 3gdm s LEU 57 Ca 0.01 0.64 0.01 0.00 -0.22 0.00 0.00 54.13 54.57 3gdm s LEU 57 Cb 0.06 2.20 0.02 0.00 0.50 0.00 0.00 46.19 48.97 3gdm s LEU 57 CO 0.35 -0.52 -0.16 -0.22 -1.32 0.00 0.00 176.35 174.48 3gdm s LEU 58 N -1.04 1.80 -0.27 -0.68 2.96 -0.34 -1.62 118.68 119.48 3gdm s LEU 58 Ca -0.10 -0.51 -0.16 0.00 -0.22 0.00 0.00 54.13 53.14 3gdm s LEU 58 Cb -0.02 -1.23 -0.03 0.00 0.50 0.00 0.00 46.19 45.41 3gdm s LEU 58 CO 0.08 -0.02 0.43 -0.75 -1.32 0.00 0.00 176.35 174.76 3gdm s LYS 59 N 1.30 3.99 0.28 1.98 2.20 0.15 -0.77 119.74 128.86 3gdm s LYS 59 Ca 0.02 0.10 0.10 0.00 -0.36 0.00 0.00 55.97 55.83 3gdm s LYS 59 Cb -0.13 -3.67 -0.05 0.00 -1.51 0.00 0.00 37.83 32.47 3gdm s LYS 59 CO -0.08 -0.33 -0.05 0.95 -0.36 0.00 0.00 175.35 175.48 3gdm s THR 60 N 2.16 3.10 -0.44 3.43 -4.23 0.11 -3.97 115.64 115.81 3gdm s THR 60 Ca 0.17 -2.04 0.05 0.00 -1.18 0.00 0.00 61.69 58.69 3gdm s THR 60 Cb -0.16 -2.71 0.18 0.00 1.34 0.00 0.00 72.50 71.15 3gdm s THR 60 CO 0.10 -0.35 0.38 1.41 -0.54 0.00 0.00 174.62 175.62 3gdm n HIS 61 N -0.84 -0.39 0.31 3.99 8.25 -1.26 -1.15 115.22 124.12 3gdm n HIS 61 Ca -0.06 -3.45 0.16 0.00 -0.26 0.00 0.00 57.72 54.11 3gdm n HIS 61 Cb 0.60 0.09 0.70 0.00 1.12 0.00 0.00 29.99 32.49 3gdm n HIS 61 CO 0.00 0.00 0.00 -0.39 0.64 0.00 0.00 176.34 176.59 3gdm h VAL 62 N 4.25 0.00 0.00 1.59 -1.51 -1.98 -2.57 116.25 116.03 3gdm h VAL 62 Ca 0.23 -0.28 0.00 0.00 -1.23 0.00 0.00 66.70 65.43 3gdm h VAL 62 Cb 0.89 1.12 0.00 0.00 -2.13 0.00 0.00 31.29 31.17 3gdm h VAL 62 CO 0.42 0.00 0.00 -0.90 -1.23 0.00 0.00 177.57 175.86 3gdm n ASP 63 N -2.71 0.00 -0.23 4.19 5.68 -1.26 -2.62 116.55 119.61 3gdm n ASP 63 Ca 0.00 -1.41 0.04 0.00 -0.50 0.00 0.00 54.79 52.92 3gdm n ASP 63 Cb 0.21 0.00 0.02 0.00 -1.14 0.00 0.00 41.12 40.21 3gdm n ASP 63 CO 0.00 0.00 0.00 2.30 -1.33 0.00 0.00 177.20 178.17 3gdm n ILE 64 N -0.70 0.00 -2.38 2.12 -5.35 -0.97 -5.01 119.36 107.06 3gdm n ILE 64 Ca 0.08 -0.47 -0.35 0.00 -0.27 0.00 0.00 62.75 61.75 3gdm n ILE 64 Cb 0.04 1.12 -0.02 0.00 -1.74 0.00 0.00 39.64 39.04 3gdm n ILE 64 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3gdm s LEU 65 N -0.98 3.84 0.00 7.28 1.02 -1.08 -4.67 118.68 124.08 3gdm s LEU 65 Ca 0.07 2.09 0.25 0.00 0.02 0.00 0.00 54.13 56.57 3gdm s LEU 65 Cb 0.06 -4.51 0.58 0.00 0.02 0.00 0.00 46.19 42.33 3gdm s LEU 65 CO 0.13 -0.98 1.45 0.35 0.02 0.00 0.00 176.35 177.32 3gdm n THR 66 N -1.01 0.00 -2.74 5.49 -2.24 0.86 -4.39 114.28 110.24 3gdm n THR 66 Ca 0.10 -0.08 -0.04 0.00 -2.27 0.00 0.00 64.05 61.75 3gdm n THR 66 Cb 0.51 0.42 0.06 0.00 -2.10 0.00 0.00 70.33 69.22 3gdm n THR 66 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3gdm n ASP 67 N -0.95 0.86 -4.77 3.42 3.85 -1.26 -5.09 116.55 112.61 3gdm n ASP 67 Ca 0.09 -2.36 -0.39 0.00 -0.71 0.00 0.00 54.79 51.42 3gdm n ASP 67 Cb 0.35 -0.23 -0.01 0.00 -1.35 0.00 0.00 41.12 39.87 3gdm n ASP 67 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.20 176.31 3gdm s PHE 68 N -2.74 2.98 -0.06 2.11 2.19 -1.26 -4.80 117.98 116.40 3gdm s PHE 68 Ca 0.25 1.47 -0.30 0.00 0.33 0.00 0.00 56.93 58.67 3gdm s PHE 68 Cb 0.40 -3.58 0.09 0.00 -1.31 0.00 0.00 43.02 38.62 3gdm s PHE 68 CO -0.02 -1.74 0.76 -1.54 1.83 0.00 0.00 175.22 174.51 3gdm s SER 69 N -0.79 -0.57 0.14 6.13 1.04 -1.26 -4.98 113.70 113.41 3gdm s SER 69 Ca 0.54 0.57 -0.14 0.00 0.48 0.00 0.00 55.95 57.40 3gdm s SER 69 Cb -0.36 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.24 3gdm s SER 69 CO 0.47 -0.56 1.61 0.24 0.98 0.00 0.00 173.24 175.97 3gdm h MET 70 N 2.79 0.74 0.05 4.02 2.86 -1.96 0.35 114.93 123.79 3gdm h MET 70 Ca -0.25 -0.21 -0.24 0.00 -2.06 0.00 0.00 59.70 56.94 3gdm h MET 70 Cb 1.16 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.74 3gdm h MET 70 CO 0.37 0.78 -1.05 0.93 1.06 0.00 0.00 176.91 178.99 3gdm h GLU 71 N 0.60 0.36 0.00 1.72 4.39 -1.97 -0.52 114.58 119.16 3gdm h GLU 71 Ca 0.13 -0.45 -0.24 0.00 0.34 0.00 0.00 59.36 59.14 3gdm h GLU 71 Cb 0.40 0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 29.16 3gdm h GLU 71 CO 0.01 1.14 -1.42 0.78 -1.16 0.00 0.00 179.01 178.37 3gdm h GLY 72 N 1.34 0.00 0.00 -3.84 0.00 -1.94 -3.39 103.07 95.25 3gdm h GLY 72 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.23 3gdm h GLY 72 CO 0.18 0.00 -0.54 2.41 0.00 0.00 0.00 176.54 178.59 3gdm n THR 73 N -3.11 1.26 -0.05 4.70 -1.04 0.09 -4.58 114.28 111.54 3gdm n THR 73 Ca -0.10 0.25 -0.10 0.00 -2.04 0.00 0.00 64.05 62.06 3gdm n THR 73 Cb 0.98 -1.97 -0.04 0.00 -1.82 0.00 0.00 70.33 67.48 3gdm n THR 73 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 3gdm h VAL 74 N -0.54 1.12 0.04 12.58 2.07 -1.38 -1.57 116.25 128.57 3gdm h VAL 74 Ca 0.00 -0.33 0.03 0.00 0.82 0.00 0.00 66.70 67.22 3gdm h VAL 74 Cb 0.54 0.97 -0.04 0.00 -1.52 0.00 0.00 31.29 31.24 3gdm h VAL 74 CO 0.00 0.11 -0.24 0.50 0.02 0.00 0.00 177.57 177.97 3gdm h LYS 75 N 0.21 -0.38 -0.42 1.57 3.64 -1.28 0.11 116.57 120.02 3gdm h LYS 75 Ca 0.07 0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.42 3gdm h LYS 75 Cb 0.09 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 3gdm h LYS 75 CO -0.01 -0.25 0.04 -1.35 -2.27 0.00 0.00 179.45 175.61 3gdm h PRO 76 N -0.39 0.66 -0.42 1.90 0.11 -1.75 -1.77 132.00 130.34 3gdm h PRO 76 Ca 0.05 -0.14 -0.02 0.00 0.11 0.00 0.00 66.00 65.99 3gdm h PRO 76 Cb 0.46 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.45 3gdm h PRO 76 CO -0.19 0.65 0.17 -0.07 -0.21 0.00 0.00 178.00 178.35 3gdm h LEU 77 N 0.63 0.57 -0.97 2.35 3.38 -0.71 -1.41 115.31 119.16 3gdm h LEU 77 Ca 0.14 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 3gdm h LEU 77 Cb 0.34 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3gdm h LEU 77 CO 0.01 0.58 0.08 0.11 0.09 0.00 0.00 178.44 179.30 3gdm h LYS 78 N 0.53 0.83 -0.76 1.13 1.79 -0.58 -0.74 116.57 118.77 3gdm h LYS 78 Ca 0.14 -0.19 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 3gdm h LYS 78 Cb 0.18 -0.11 -0.04 0.00 -1.58 0.00 0.00 32.23 30.68 3gdm h LYS 78 CO -0.01 0.78 0.48 0.00 -1.08 0.00 0.00 179.45 179.62 3gdm h ALA 79 N 1.29 0.96 -0.46 3.86 0.00 -0.91 -1.06 119.26 122.95 3gdm h ALA 79 Ca 0.17 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 3gdm h ALA 79 Cb 0.36 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3gdm h ALA 79 CO 0.01 0.41 -0.18 -0.07 0.00 0.00 0.00 179.25 179.41 3gdm h LEU 80 N 1.03 0.95 -1.21 0.00 3.38 -0.79 0.45 115.31 119.13 3gdm h LEU 80 Ca 0.28 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 3gdm h LEU 80 Cb -0.08 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.38 3gdm h LEU 80 CO -0.06 1.13 0.34 0.77 0.09 0.00 0.00 178.44 180.72 3gdm h SER 81 N 0.78 0.79 -0.01 -0.43 4.64 -0.71 0.39 113.55 118.99 3gdm h SER 81 Ca 0.11 -0.06 -0.20 0.00 -0.47 0.00 0.00 61.79 61.17 3gdm h SER 81 Cb 0.75 -0.20 0.02 0.00 -0.31 0.00 0.00 62.40 62.65 3gdm h SER 81 CO 0.06 0.65 -0.77 0.00 -0.87 0.00 0.00 176.83 175.90 3gdm h ALA 82 N 1.48 0.11 -0.36 5.18 0.00 -1.03 0.02 119.26 124.66 3gdm h ALA 82 Ca 0.23 -0.61 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 3gdm h ALA 82 Cb 0.04 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3gdm h ALA 82 CO -0.04 0.49 0.15 -0.22 0.00 0.00 0.00 179.25 179.64 3gdm h LYS 83 N 0.11 0.52 -0.02 0.00 3.64 -0.55 -3.21 116.57 117.06 3gdm h LYS 83 Ca -0.09 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 3gdm h LYS 83 Cb 1.45 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.18 3gdm h LYS 83 CO 0.15 0.50 -0.28 0.66 -2.27 0.00 0.00 179.45 178.21 3gdm n TYR 84 N -4.70 0.00 -2.99 1.91 4.02 0.10 -5.04 117.16 110.46 3gdm n TYR 84 Ca -0.01 0.00 -0.02 0.00 -0.01 0.00 0.00 57.90 57.86 3gdm n TYR 84 Cb 0.13 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.45 3gdm n TYR 84 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 3gdm n ASN 85 N 0.51 -7.77 -3.79 7.72 4.05 -0.06 -4.66 115.26 111.26 3gdm n ASN 85 Ca 0.11 0.09 -0.10 0.00 0.45 0.00 0.00 54.58 55.13 3gdm n ASN 85 Cb 0.52 -5.28 -0.07 0.00 1.23 0.00 0.00 39.78 36.17 3gdm n ASN 85 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 177.26 174.93 3gdm s PHE 86 N -2.89 0.00 0.36 1.20 -0.12 -0.86 -4.83 117.98 110.84 3gdm s PHE 86 Ca 0.06 -0.30 0.06 0.00 -0.05 0.00 0.00 56.93 56.70 3gdm s PHE 86 Cb -0.02 0.04 -0.01 0.00 -0.63 0.00 0.00 43.02 42.41 3gdm s PHE 86 CO 0.74 -0.54 0.51 -0.51 -0.05 0.00 0.00 175.22 175.38 3gdm s LEU 87 N -2.50 3.89 -0.11 -1.99 1.43 -0.81 -4.66 118.68 113.93 3gdm s LEU 87 Ca 0.00 -0.13 -0.01 0.00 -1.03 0.00 0.00 54.13 52.96 3gdm s LEU 87 Cb 0.02 -2.81 -0.03 0.00 0.03 0.00 0.00 46.19 43.40 3gdm s LEU 87 CO -0.08 -0.51 -0.07 -0.76 0.23 0.00 0.00 176.35 175.16 3gdm s LEU 88 N -4.26 3.13 -0.24 1.79 1.43 -1.26 -1.20 118.68 118.08 3gdm s LEU 88 Ca 0.46 -0.10 -0.01 0.00 -1.03 0.00 0.00 54.13 53.45 3gdm s LEU 88 Cb -0.10 -1.71 0.07 0.00 0.03 0.00 0.00 46.19 44.48 3gdm s LEU 88 CO 0.32 0.27 0.02 0.12 0.23 0.00 0.00 176.35 177.32 3gdm s PHE 89 N -0.25 1.68 -0.37 0.29 5.36 0.05 -0.98 117.98 123.74 3gdm s PHE 89 Ca 0.03 -1.40 -0.23 0.00 -0.96 0.00 0.00 56.93 54.38 3gdm s PHE 89 Cb -0.13 -1.41 0.01 0.00 -0.34 0.00 0.00 43.02 41.15 3gdm s PHE 89 CO 0.03 -0.74 0.75 -2.00 -1.46 0.00 0.00 175.22 171.80 3gdm s GLU 90 N 1.63 3.69 -1.45 10.12 2.56 -0.35 0.06 118.70 134.96 3gdm s GLU 90 Ca 0.01 0.20 -0.09 0.00 0.00 0.00 0.00 54.97 55.09 3gdm s GLU 90 Cb -0.18 -3.83 -0.04 0.00 2.00 0.00 0.00 34.13 32.08 3gdm s GLU 90 CO -0.12 -0.86 2.85 -3.47 -0.56 0.00 0.00 175.26 173.10 3gdm n ASP 91 N 6.38 8.38 0.20 -1.70 2.03 -0.30 -3.93 116.55 127.61 3gdm n ASP 91 Ca 0.02 -2.72 0.12 0.00 0.52 0.00 0.00 54.79 52.73 3gdm n ASP 91 Cb 0.48 -1.50 0.22 0.00 -0.72 0.00 0.00 41.12 39.60 3gdm n ASP 91 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 3gdm h ARG 92 N 4.76 0.00 -6.40 -0.67 9.65 -1.85 -3.48 114.38 116.40 3gdm h ARG 92 Ca 0.79 0.00 -0.45 0.00 -1.10 0.00 0.00 59.98 59.22 3gdm h ARG 92 Cb 0.35 0.00 0.05 0.00 -1.39 0.00 0.00 29.97 28.99 3gdm h ARG 92 CO 1.62 0.00 -0.92 0.54 2.80 0.00 0.00 179.97 184.00 3gdm n ARG 93 N -2.94 -1.02 -1.73 0.20 1.74 -1.23 -4.85 116.66 106.83 3gdm n ARG 93 Ca 0.04 0.45 -0.42 0.00 -0.77 0.00 0.00 57.85 57.15 3gdm n ARG 93 Cb 0.51 -3.65 -0.01 0.00 -1.02 0.00 0.00 32.46 28.29 3gdm n ARG 93 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3gdm n PHE 94 N -4.11 2.61 -2.96 -1.55 3.01 -0.84 -4.67 117.46 108.94 3gdm n PHE 94 Ca -0.11 0.41 -0.14 0.00 1.01 0.00 0.00 57.45 58.62 3gdm n PHE 94 Cb 0.59 -2.51 0.02 0.00 -0.01 0.00 0.00 39.48 37.57 3gdm n PHE 94 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3gdm n ALA 95 N 1.21 1.33 -3.17 4.37 0.00 -1.26 -1.61 120.51 121.38 3gdm n ALA 95 Ca 0.06 -2.68 -0.12 0.00 0.00 0.00 0.00 53.44 50.70 3gdm n ALA 95 Cb 0.36 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.78 3gdm n ALA 95 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3gdm s ASP 96 N -2.10 0.52 0.27 0.00 -1.08 -1.26 -4.97 116.67 108.05 3gdm s ASP 96 Ca 0.32 -1.31 0.06 0.00 -0.52 0.00 0.00 52.55 51.10 3gdm s ASP 96 Cb 0.35 0.70 -0.02 0.00 -1.46 0.00 0.00 42.92 42.49 3gdm s ASP 96 CO -0.06 -1.37 0.24 2.30 0.52 0.00 0.00 175.17 176.81 3gdm n ILE 97 N -0.53 0.00 -4.59 4.11 -6.64 -1.26 -4.76 119.36 105.70 3gdm n ILE 97 Ca -0.02 -1.97 0.00 0.00 -1.77 0.00 0.00 62.75 59.00 3gdm n ILE 97 Cb 0.61 0.99 0.00 0.00 -1.44 0.00 0.00 39.64 39.81 3gdm n ILE 97 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 3gdm n GLY 98 N -0.52 -0.02 0.26 3.28 0.00 -1.26 -3.30 105.19 103.64 3gdm n GLY 98 Ca 0.06 -1.01 0.03 0.00 0.00 0.00 0.00 46.02 45.10 3gdm n GLY 98 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3gdm h ASN 99 N 0.55 0.30 0.15 1.61 -1.24 -1.99 -2.72 115.58 112.24 3gdm h ASN 99 Ca 0.00 -0.04 0.02 0.00 0.71 0.00 0.00 56.30 56.99 3gdm h ASN 99 Cb 0.00 -0.08 -0.03 0.00 0.73 0.00 0.00 38.32 38.94 3gdm h ASN 99 CO 0.00 0.35 -0.29 0.74 -1.29 0.00 0.00 177.43 176.95 3gdm h THR 100 N 0.32 0.38 -0.10 -3.57 2.02 -1.99 -1.38 112.91 108.60 3gdm h THR 100 Ca 0.08 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.19 3gdm h THR 100 Cb 0.21 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 66.99 3gdm h THR 100 CO 0.00 0.00 -0.26 1.62 0.37 0.00 0.00 175.52 177.26 3gdm h VAL 101 N -0.52 1.23 -0.25 3.16 3.04 -1.51 -0.80 116.25 120.60 3gdm h VAL 101 Ca 0.02 -1.06 -0.00 0.00 -1.01 0.00 0.00 66.70 64.64 3gdm h VAL 101 Cb 0.53 1.44 -0.01 0.00 -2.01 0.00 0.00 31.29 31.24 3gdm h VAL 101 CO -0.14 0.32 0.14 0.11 -1.01 0.00 0.00 177.57 176.98 3gdm h LYS 102 N 0.16 0.35 -0.04 4.17 1.57 -1.14 -2.05 116.57 119.60 3gdm h LYS 102 Ca 0.03 -0.04 -0.13 0.00 -1.87 0.00 0.00 60.65 58.64 3gdm h LYS 102 Cb 0.54 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 3gdm h LYS 102 CO 0.04 0.31 -0.56 -0.07 -0.57 0.00 0.00 179.45 178.60 3gdm h LEU 103 N 0.29 0.12 -1.80 2.94 3.38 -0.95 0.13 115.31 119.43 3gdm h LEU 103 Ca 0.09 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 3gdm h LEU 103 Cb 0.06 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 3gdm h LEU 103 CO -0.01 0.66 -0.10 1.56 0.09 0.00 0.00 178.44 180.64 3gdm h GLN 104 N 0.08 0.00 0.06 1.13 4.20 -0.88 0.11 115.11 119.82 3gdm h GLN 104 Ca -0.00 0.00 -0.36 0.00 0.06 0.00 0.00 58.65 58.34 3gdm h GLN 104 Cb 1.02 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.76 3gdm h GLN 104 CO 0.08 0.10 -2.09 0.98 -0.67 0.00 0.00 178.83 177.23 3gdm n TYR 105 N -3.38 0.76 0.03 2.96 9.36 -0.79 -4.64 117.16 121.46 3gdm n TYR 105 Ca -0.01 0.19 0.03 0.00 3.32 0.00 0.00 57.90 61.43 3gdm n TYR 105 Cb 0.27 -1.10 -0.09 0.00 -0.63 0.00 0.00 39.34 37.80 3gdm n TYR 105 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 3gdm n SER 106 N -3.61 0.65 0.00 2.98 3.41 0.42 -0.21 113.62 117.26 3gdm n SER 106 Ca -0.38 0.28 0.00 0.00 -0.26 0.00 0.00 58.87 58.51 3gdm n SER 106 Cb 0.97 0.57 0.00 0.00 -0.26 0.00 0.00 64.21 65.49 3gdm n SER 106 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gdm n ALA 107 N -2.37 0.00 -0.71 7.33 0.00 0.39 -4.58 120.51 120.56 3gdm n ALA 107 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3gdm n ALA 107 Cb 0.77 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.22 3gdm n ALA 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gdm n GLY 108 N 1.95 0.55 0.14 0.00 0.00 -1.25 -1.10 105.19 105.49 3gdm n GLY 108 Ca 0.00 -0.79 -0.24 0.00 0.00 0.00 0.00 46.02 44.99 3gdm n GLY 108 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3gdm h VAL 109 N 0.00 1.12 0.00 1.61 2.07 -1.97 -3.37 116.25 115.72 3gdm h VAL 109 Ca 0.00 -2.59 -0.11 0.00 0.82 0.00 0.00 66.70 64.82 3gdm h VAL 109 Cb 0.00 2.91 -0.02 0.00 -1.52 0.00 0.00 31.29 32.67 3gdm h VAL 109 CO 0.00 0.82 -0.53 1.88 0.02 0.00 0.00 177.57 179.76 3gdm h TYR 110 N 0.08 0.00 -6.98 1.57 -1.99 -1.95 -3.46 116.97 104.24 3gdm h TYR 110 Ca -0.29 0.00 -0.60 0.00 2.00 0.00 0.00 58.73 59.84 3gdm h TYR 110 Cb 2.10 0.00 -0.21 0.00 2.00 0.00 0.00 36.73 40.62 3gdm h TYR 110 CO 0.12 0.53 -0.94 0.54 -0.00 0.00 0.00 178.16 178.42 3gdm n ARG 111 N -3.56 -1.47 -0.23 4.88 1.74 -0.26 -4.83 116.66 112.93 3gdm n ARG 111 Ca -0.00 0.17 -0.01 0.00 -0.77 0.00 0.00 57.85 57.25 3gdm n ARG 111 Cb 0.61 -4.03 0.06 0.00 -1.02 0.00 0.00 32.46 28.08 3gdm n ARG 111 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3gdm h ILE 112 N -1.63 0.30 0.00 0.55 2.04 -1.72 -0.94 117.51 116.12 3gdm h ILE 112 Ca -0.64 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.22 3gdm h ILE 112 Cb 1.39 0.30 -0.00 0.00 -0.74 0.00 0.00 36.82 37.78 3gdm h ILE 112 CO 0.73 0.00 -0.00 0.00 0.00 0.00 0.00 178.15 178.88 3gdm h ALA 113 N 1.58 1.05 0.00 1.87 0.00 -0.86 0.79 119.26 123.69 3gdm h ALA 113 Ca 0.31 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 3gdm h ALA 113 Cb 0.50 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 3gdm h ALA 113 CO -0.69 0.00 -0.12 0.93 0.00 0.00 0.00 179.25 179.37 3gdm h GLU 114 N 0.00 0.00 0.00 0.00 5.08 -1.43 -3.39 114.58 114.84 3gdm h GLU 114 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3gdm h GLU 114 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 3gdm h GLU 114 CO 0.00 0.12 -0.41 -2.67 -1.00 0.00 0.00 179.01 175.05 3gdm n TRP 115 N -3.21 0.00 -2.66 4.33 4.27 -0.70 -5.02 117.44 114.45 3gdm n TRP 115 Ca 0.01 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.19 3gdm n TRP 115 Cb 0.42 0.00 -0.02 0.00 -1.36 0.00 0.00 31.31 30.35 3gdm n TRP 115 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3gdm s ALA 116 N -1.27 3.41 0.26 -1.67 0.00 0.19 -4.83 121.76 117.86 3gdm s ALA 116 Ca 0.00 -0.21 -0.05 0.00 0.00 0.00 0.00 51.96 51.70 3gdm s ALA 116 Cb 0.00 -3.69 0.32 0.00 0.00 0.00 0.00 23.12 19.74 3gdm s ALA 116 CO 0.00 -1.66 1.93 -0.44 0.00 0.00 0.00 175.76 175.59 3gdm h ASP 117 N 8.39 1.07 -4.48 0.00 3.32 -1.59 -3.44 116.42 119.69 3gdm h ASP 117 Ca -0.21 -0.04 -0.36 0.00 0.02 0.00 0.00 57.03 56.43 3gdm h ASP 117 Cb 1.06 -0.27 -0.23 0.00 0.22 0.00 0.00 39.33 40.11 3gdm h ASP 117 CO 1.04 0.80 -0.77 -0.63 -1.72 0.00 0.00 179.24 177.97 3gdm s ILE 118 N -5.98 0.85 0.30 0.35 1.01 -0.15 -1.27 121.20 116.31 3gdm s ILE 118 Ca -0.12 -1.04 0.01 0.00 0.00 0.00 0.00 60.65 59.50 3gdm s ILE 118 Cb 0.18 -0.82 -0.00 0.00 0.01 0.00 0.00 42.46 41.82 3gdm s ILE 118 CO 0.81 -0.18 0.36 1.07 0.00 0.00 0.00 174.94 177.00 3gdm n THR 119 N 1.68 0.00 -4.17 2.92 5.66 -0.93 -1.22 114.28 118.22 3gdm n THR 119 Ca -0.20 -1.76 -0.11 0.00 -3.05 0.00 0.00 64.05 58.94 3gdm n THR 119 Cb 0.55 1.00 -0.10 0.00 -1.55 0.00 0.00 70.33 70.22 3gdm n THR 119 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3gdm s ASN 120 N -2.95 0.67 0.01 1.09 2.20 -1.25 -0.78 114.94 113.94 3gdm s ASN 120 Ca 0.29 -1.16 -0.15 0.00 -0.94 0.00 0.00 52.86 50.90 3gdm s ASN 120 Cb 0.00 0.21 0.03 0.00 -2.00 0.00 0.00 41.25 39.49 3gdm s ASN 120 CO 0.20 -0.64 0.33 0.00 -2.94 0.00 0.00 177.10 174.05 3gdm s ALA 121 N -3.88 -0.81 0.27 3.54 0.00 -0.54 -1.99 121.76 118.35 3gdm s ALA 121 Ca 0.21 0.24 -0.18 0.00 0.00 0.00 0.00 51.96 52.23 3gdm s ALA 121 Cb 0.07 0.20 -0.09 0.00 0.00 0.00 0.00 23.12 23.30 3gdm s ALA 121 CO 0.00 -0.34 0.75 -1.01 0.00 0.00 0.00 175.76 175.15 3gdm s HIS 122 N -1.92 3.53 -0.54 0.00 3.76 -0.63 -1.35 115.29 118.14 3gdm s HIS 122 Ca -0.09 1.35 0.24 0.00 -0.15 0.00 0.00 55.06 56.41 3gdm s HIS 122 Cb -0.03 -2.61 0.53 0.00 1.11 0.00 0.00 32.58 31.59 3gdm s HIS 122 CO 0.01 0.22 1.68 0.78 -0.85 0.00 0.00 174.74 176.58 3gdm h GLY 123 N 2.92 0.00 -0.01 -2.22 0.00 -1.91 -3.36 103.07 98.47 3gdm h GLY 123 Ca -0.48 0.00 0.25 0.00 0.00 0.00 0.00 47.33 47.10 3gdm h GLY 123 CO 0.65 0.00 0.66 -0.24 0.00 0.00 0.00 176.54 177.61 3gdm h VAL 124 N 0.00 0.56 0.00 4.60 3.04 -1.94 -0.91 116.25 121.60 3gdm h VAL 124 Ca 0.00 -0.12 0.00 0.00 -1.01 0.00 0.00 66.70 65.57 3gdm h VAL 124 Cb 0.89 0.17 0.00 0.00 -2.01 0.00 0.00 31.29 30.34 3gdm h VAL 124 CO 0.00 0.07 0.00 1.33 -1.01 0.00 0.00 177.57 177.96 3gdm n VAL 125 N -4.55 0.28 0.00 1.51 0.24 -1.26 -5.02 118.33 109.53 3gdm n VAL 125 Ca 0.23 0.07 0.00 0.00 -2.04 0.00 0.00 64.34 62.60 3gdm n VAL 125 Cb 0.85 -0.65 0.00 0.00 -1.47 0.00 0.00 33.84 32.57 3gdm n VAL 125 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3gdm n GLY 126 N 0.93 0.91 0.34 7.63 0.00 -0.35 -4.65 105.19 109.99 3gdm n GLY 126 Ca 0.08 -1.93 0.21 0.00 0.00 0.00 0.00 46.02 44.38 3gdm n GLY 126 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gdm h PRO 127 N 0.00 0.00 0.00 1.61 0.13 -1.94 -2.87 132.00 128.93 3gdm h PRO 127 Ca 0.00 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3gdm h PRO 127 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 3gdm h PRO 127 CO 0.00 0.00 -0.00 0.78 -0.23 0.00 0.00 178.00 178.55 3gdm h GLY 128 N 0.00 0.00 1.82 1.56 0.00 -1.99 -0.83 103.07 103.64 3gdm h GLY 128 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 3gdm h GLY 128 CO -0.00 0.00 -0.38 1.19 0.00 0.00 0.00 176.54 177.35 3gdm h ILE 129 N 0.00 1.29 0.26 2.60 2.10 -1.80 0.23 117.51 122.18 3gdm h ILE 129 Ca -0.00 -1.41 -0.01 0.00 1.08 0.00 0.00 64.86 64.51 3gdm h ILE 129 Cb 0.00 1.64 0.00 0.00 -1.09 0.00 0.00 36.82 37.38 3gdm h ILE 129 CO 0.00 0.42 -0.12 0.58 -1.08 0.00 0.00 178.15 177.95 3gdm h VAL 130 N 0.17 0.73 -0.52 2.19 2.07 -1.38 -1.56 116.25 117.94 3gdm h VAL 130 Ca 0.02 -0.80 -0.05 0.00 0.82 0.00 0.00 66.70 66.69 3gdm h VAL 130 Cb 0.75 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 3gdm h VAL 130 CO 0.06 0.15 0.11 0.77 0.02 0.00 0.00 177.57 178.68 3gdm h SER 131 N -0.81 0.76 0.19 0.57 4.64 -1.55 -2.01 113.55 115.34 3gdm h SER 131 Ca -0.04 -0.14 -0.01 0.00 -0.47 0.00 0.00 61.79 61.13 3gdm h SER 131 Cb 0.51 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 3gdm h SER 131 CO 0.06 0.76 -0.09 1.23 -0.87 0.00 0.00 176.83 177.91 3gdm h GLY 132 N 0.96 -0.27 1.37 -0.77 0.00 -0.97 -1.86 103.07 101.53 3gdm h GLY 132 Ca 0.17 0.10 -0.05 0.00 0.00 0.00 0.00 47.33 47.54 3gdm h GLY 132 CO 0.00 -0.10 0.10 1.41 0.00 0.00 0.00 176.54 177.95 3gdm h LEU 133 N -0.43 0.74 -0.37 3.11 3.38 -1.23 -1.80 115.31 118.73 3gdm h LEU 133 Ca -0.03 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 3gdm h LEU 133 Cb 0.33 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3gdm h LEU 133 CO 0.04 0.75 0.21 0.50 0.09 0.00 0.00 178.44 180.03 3gdm h LYS 134 N 0.76 0.51 -0.69 1.13 3.64 -1.28 -1.14 116.57 119.49 3gdm h LYS 134 Ca 0.16 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.43 3gdm h LYS 134 Cb 0.32 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.01 3gdm h LYS 134 CO 0.00 0.40 0.21 0.37 -2.27 0.00 0.00 179.45 178.17 3gdm h GLN 135 N 0.47 1.08 -0.94 1.90 4.15 -1.11 -1.98 115.11 118.68 3gdm h GLN 135 Ca 0.13 -0.24 -0.00 0.00 0.77 0.00 0.00 58.65 59.31 3gdm h GLN 135 Cb 0.04 -0.15 -0.05 0.00 0.21 0.00 0.00 27.48 27.53 3gdm h GLN 135 CO -0.02 0.93 0.58 0.00 -1.93 0.00 0.00 178.83 178.39 3gdm h ALA 136 N 1.10 1.20 -0.21 3.38 0.00 -1.02 -1.41 119.26 122.30 3gdm h ALA 136 Ca 0.22 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3gdm h ALA 136 Cb 0.31 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3gdm h ALA 136 CO -0.01 0.65 0.09 0.00 0.00 0.00 0.00 179.25 179.98 3gdm h ALA 137 N 1.32 0.27 -0.47 0.00 0.00 -0.85 -2.61 119.26 116.92 3gdm h ALA 137 Ca 0.34 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.22 3gdm h ALA 137 Cb -0.07 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3gdm h ALA 137 CO -0.07 -0.16 0.32 0.93 0.00 0.00 0.00 179.25 180.27 3gdm h GLU 138 N 0.20 0.39 0.00 0.00 5.08 -0.87 -1.54 114.58 117.85 3gdm h GLU 138 Ca 0.07 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.34 3gdm h GLU 138 Cb 0.14 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 3gdm h GLU 138 CO -0.01 0.26 -0.34 0.93 -1.00 0.00 0.00 179.01 178.85 3gdm h GLU 139 N 0.41 0.00 0.00 2.33 5.08 -0.88 -3.35 114.58 118.17 3gdm h GLU 139 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 3gdm h GLU 139 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 3gdm h GLU 139 CO -0.05 0.34 0.00 1.33 -1.00 0.00 0.00 179.01 179.63 3gdm n VAL 140 N -3.56 0.00 -3.59 3.13 0.24 -0.91 -5.07 118.33 108.57 3gdm n VAL 140 Ca -0.00 -0.50 -0.14 0.00 -2.04 0.00 0.00 64.34 61.66 3gdm n VAL 140 Cb 0.47 1.01 -0.06 0.00 -1.47 0.00 0.00 33.84 33.79 3gdm n VAL 140 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 3gdm s THR 141 N -0.18 0.03 -1.35 3.34 -1.32 -0.63 -4.82 115.64 110.70 3gdm s THR 141 Ca 0.00 -0.26 0.16 0.00 -1.21 0.00 0.00 61.69 60.39 3gdm s THR 141 Cb 0.00 -0.95 -0.04 0.00 -1.51 0.00 0.00 72.50 70.00 3gdm s THR 141 CO 0.00 -0.14 0.83 0.29 -2.21 0.00 0.00 174.62 173.39 3gdm n LYS 142 N 0.53 1.69 -2.67 7.08 4.76 -1.26 -4.43 118.16 123.86 3gdm n LYS 142 Ca -0.19 -0.65 -0.36 0.00 -2.87 0.00 0.00 58.31 54.24 3gdm n LYS 142 Cb 0.60 -1.28 -0.05 0.00 -1.84 0.00 0.00 35.03 32.46 3gdm n LYS 142 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3gdm s GLU 143 N -2.05 4.26 0.29 1.97 0.41 -1.26 -4.98 118.70 117.35 3gdm s GLU 143 Ca 0.12 1.36 -0.30 0.00 -0.41 0.00 0.00 54.97 55.75 3gdm s GLU 143 Cb 0.13 -2.50 -0.13 0.00 -1.78 0.00 0.00 34.13 29.86 3gdm s GLU 143 CO 0.46 -0.02 1.41 -2.30 -0.49 0.00 0.00 175.26 174.31 3gdm n PRO 144 N -0.10 2.24 -4.16 0.39 -0.02 -1.26 -5.01 135.00 127.08 3gdm n PRO 144 Ca 0.05 0.79 -0.17 0.00 -2.02 0.00 0.00 63.50 62.15 3gdm n PRO 144 Cb 0.51 -2.45 -0.12 0.00 -0.02 0.00 0.00 33.50 31.42 3gdm n PRO 144 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3gdm s ARG 145 N -1.05 0.78 0.07 -0.52 1.81 -1.26 -4.77 118.95 114.01 3gdm s ARG 145 Ca 0.62 -0.97 -0.06 0.00 -1.72 0.00 0.00 55.73 53.60 3gdm s ARG 145 Cb -0.58 -0.69 -0.02 0.00 -0.45 0.00 0.00 34.95 33.21 3gdm s ARG 145 CO 0.55 0.14 0.10 0.20 -0.68 0.00 0.00 175.30 175.61 3gdm s GLY 146 N -1.87 0.24 -0.02 -3.53 0.00 -0.40 -4.71 107.32 97.03 3gdm s GLY 146 Ca -0.02 -0.82 0.04 0.00 0.00 0.00 0.00 44.72 43.92 3gdm s GLY 146 CO 0.02 -0.98 -0.15 -2.27 0.00 0.00 0.00 173.10 169.72 3gdm s LEU 147 N -2.80 1.97 -0.12 0.66 2.96 0.22 -2.18 118.68 119.39 3gdm s LEU 147 Ca 0.05 -0.28 -0.02 0.00 -0.22 0.00 0.00 54.13 53.66 3gdm s LEU 147 Cb 0.05 -0.80 -0.03 0.00 0.50 0.00 0.00 46.19 45.92 3gdm s LEU 147 CO -0.10 0.16 -0.07 -0.76 -1.32 0.00 0.00 176.35 174.27 3gdm s LEU 148 N -0.20 3.10 0.25 -0.68 1.43 0.04 -1.20 118.68 121.41 3gdm s LEU 148 Ca 0.03 -0.14 -0.04 0.00 -1.03 0.00 0.00 54.13 52.95 3gdm s LEU 148 Cb -0.07 -1.72 -0.05 0.00 0.03 0.00 0.00 46.19 44.38 3gdm s LEU 148 CO 0.00 0.23 0.49 -0.04 0.23 0.00 0.00 176.35 177.26 3gdm s MET 149 N 0.01 3.61 -0.64 1.70 -1.94 -0.37 -1.47 119.30 120.20 3gdm s MET 149 Ca -0.01 -0.09 -0.05 0.00 -1.71 0.00 0.00 55.69 53.83 3gdm s MET 149 Cb -0.14 -2.72 0.17 0.00 2.01 0.00 0.00 34.83 34.15 3gdm s MET 149 CO 0.03 0.29 0.48 -0.51 -0.01 0.00 0.00 175.02 175.31 3gdm s LEU 150 N -3.38 5.53 0.03 -0.03 1.43 -0.46 -2.55 118.68 119.26 3gdm s LEU 150 Ca 0.42 -2.74 0.11 0.00 -1.03 0.00 0.00 54.13 50.88 3gdm s LEU 150 Cb -0.11 -1.92 -0.21 0.00 0.03 0.00 0.00 46.19 43.98 3gdm s LEU 150 CO 0.29 -0.43 0.93 0.00 0.23 0.00 0.00 176.35 177.37 3gdm h ALA 151 N 7.27 0.60 -3.40 4.21 0.00 -1.89 -3.33 119.26 122.73 3gdm h ALA 151 Ca -0.01 -1.20 -0.38 0.00 0.00 0.00 0.00 54.91 53.33 3gdm h ALA 151 Cb 0.98 0.21 -0.36 0.00 0.00 0.00 0.00 17.79 18.62 3gdm h ALA 151 CO 0.73 1.40 -0.75 -2.00 0.00 0.00 0.00 179.25 178.63 3gdm s GLU 152 N -2.66 0.38 -0.01 0.00 2.12 -1.26 -3.83 118.70 113.44 3gdm s GLU 152 Ca -0.02 0.11 -0.05 0.00 0.36 0.00 0.00 54.97 55.37 3gdm s GLU 152 Cb 0.09 -0.65 -0.04 0.00 0.26 0.00 0.00 34.13 33.79 3gdm s GLU 152 CO 0.82 -0.20 0.22 -0.51 -0.54 0.00 0.00 175.26 175.05 3gdm s LEU 153 N 1.42 4.37 0.02 2.70 1.43 -1.26 -4.90 118.68 122.45 3gdm s LEU 153 Ca -0.04 0.45 0.23 0.00 -1.03 0.00 0.00 54.13 53.74 3gdm s LEU 153 Cb -0.13 -2.62 0.14 0.00 0.03 0.00 0.00 46.19 43.61 3gdm s LEU 153 CO -0.03 0.26 1.13 -1.54 0.23 0.00 0.00 176.35 176.41 3gdm n SER 154 N 1.06 0.68 -4.76 2.29 3.41 -1.26 -4.87 113.62 110.16 3gdm n SER 154 Ca -0.11 -0.44 -0.38 0.00 -0.26 0.00 0.00 58.87 57.68 3gdm n SER 154 Cb 0.53 0.66 0.00 0.00 -0.26 0.00 0.00 64.21 65.14 3gdm n SER 154 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gdm n LYS 156 N -0.52 2.67 -0.99 0.00 5.02 -1.26 -2.16 118.16 120.91 3gdm n LYS 156 Ca 0.07 0.96 0.00 0.00 -2.02 0.00 0.00 58.31 57.32 3gdm n LYS 156 Cb 0.46 -2.78 0.00 0.00 -0.02 0.00 0.00 35.03 32.70 3gdm n LYS 156 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3gdm n GLY 157 N 3.44 0.52 3.69 0.72 0.00 -1.26 -5.01 105.19 107.29 3gdm n GLY 157 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 3gdm n GLY 157 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gdm n SER 158 N -0.08 1.34 -1.71 1.61 3.41 -0.92 -4.92 113.62 112.35 3gdm n SER 158 Ca 0.00 0.71 0.08 0.00 -0.26 0.00 0.00 58.87 59.39 3gdm n SER 158 Cb 0.04 -1.50 0.37 0.00 -0.26 0.00 0.00 64.21 62.86 3gdm n SER 158 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3gdm n LEU 159 N -2.33 5.13 -4.19 1.04 4.77 -1.26 -4.80 117.00 115.35 3gdm n LEU 159 Ca 0.14 -2.60 -0.40 0.00 -0.03 0.00 0.00 56.01 53.13 3gdm n LEU 159 Cb 0.49 -0.63 -0.02 0.00 -2.33 0.00 0.00 43.42 40.93 3gdm n LEU 159 CO 0.48 0.69 2.13 0.00 -1.33 0.00 0.00 177.39 179.36 3gdm n ALA 160 N 0.83 3.81 -1.62 -1.18 0.00 -1.26 -4.84 120.51 116.25 3gdm n ALA 160 Ca 0.26 -3.64 -0.29 0.00 0.00 0.00 0.00 53.44 49.76 3gdm n ALA 160 Cb 1.03 -3.57 0.16 0.00 0.00 0.00 0.00 19.45 17.07 3gdm n ALA 160 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3gdm s THR 161 N 5.20 1.93 0.26 0.00 -4.23 -1.26 -4.71 115.64 112.83 3gdm s THR 161 Ca 0.55 0.00 -0.03 0.00 -1.18 0.00 0.00 61.69 61.03 3gdm s THR 161 Cb 0.08 -2.81 0.25 0.00 1.34 0.00 0.00 72.50 71.36 3gdm s THR 161 CO 0.05 0.00 1.86 1.23 -0.54 0.00 0.00 174.62 177.22 3gdm h GLY 162 N -1.67 1.47 1.08 3.99 0.00 -1.96 0.20 103.07 106.18 3gdm h GLY 162 Ca -0.47 -0.43 -0.09 0.00 0.00 0.00 0.00 47.33 46.34 3gdm h GLY 162 CO 0.51 0.28 0.05 -2.09 0.00 0.00 0.00 176.54 175.29 3gdm h GLU 163 N 1.07 1.10 -0.35 4.80 4.81 -1.97 -0.99 114.58 123.05 3gdm h GLU 163 Ca 0.43 -0.32 -0.04 0.00 -0.13 0.00 0.00 59.36 59.29 3gdm h GLU 163 Cb 0.23 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 3gdm h GLU 163 CO -0.19 1.04 0.07 -0.92 -0.73 0.00 0.00 179.01 178.27 3gdm h TYR 164 N 1.01 0.61 -0.57 0.92 5.03 -1.55 -1.83 116.97 120.58 3gdm h TYR 164 Ca 0.19 -0.08 -0.00 0.00 2.58 0.00 0.00 58.73 61.42 3gdm h TYR 164 Cb 0.50 -0.17 -0.03 0.00 1.55 0.00 0.00 36.73 38.59 3gdm h TYR 164 CO 0.04 0.62 0.35 1.15 -1.32 0.00 0.00 178.16 179.00 3gdm h THR 165 N 0.41 1.17 -0.89 1.81 2.02 -0.48 -0.74 112.91 116.21 3gdm h THR 165 Ca 0.11 -0.36 -0.02 0.00 0.77 0.00 0.00 66.41 66.91 3gdm h THR 165 Cb 0.34 0.37 -0.04 0.00 -1.74 0.00 0.00 68.15 67.08 3gdm h THR 165 CO 0.00 0.17 0.49 0.50 0.37 0.00 0.00 175.52 177.05 3gdm h LYS 166 N 0.77 1.24 -0.47 6.66 3.64 -1.03 0.29 116.57 127.67 3gdm h LYS 166 Ca 0.21 -0.14 -0.06 0.00 -1.27 0.00 0.00 60.65 59.38 3gdm h LYS 166 Cb -0.03 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 31.52 3gdm h LYS 166 CO -0.04 0.91 0.04 0.78 -2.27 0.00 0.00 179.45 178.87 3gdm h GLY 167 N 1.25 0.81 1.39 5.01 0.00 -0.77 -0.28 103.07 110.48 3gdm h GLY 167 Ca 0.31 -0.50 -0.18 0.00 0.00 0.00 0.00 47.33 46.96 3gdm h GLY 167 CO -0.05 0.47 -0.64 -0.84 0.00 0.00 0.00 176.54 175.48 3gdm h THR 168 N 0.72 1.32 -0.70 4.70 2.02 -0.40 -1.88 112.91 118.69 3gdm h THR 168 Ca 0.15 -1.91 -0.04 0.00 0.77 0.00 0.00 66.41 65.39 3gdm h THR 168 Cb 0.38 1.87 -0.03 0.00 -1.74 0.00 0.00 68.15 68.63 3gdm h THR 168 CO 0.01 0.59 0.29 0.58 0.37 0.00 0.00 175.52 177.37 3gdm h VAL 169 N 0.46 1.24 -0.73 3.16 2.07 -0.64 -0.08 116.25 121.73 3gdm h VAL 169 Ca -0.01 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 3gdm h VAL 169 Cb 1.22 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 3gdm h VAL 169 CO 0.12 0.30 0.41 0.44 0.02 0.00 0.00 177.57 178.86 3gdm h ASP 170 N 0.99 0.89 -0.41 0.57 3.45 -0.87 -0.54 116.42 120.50 3gdm h ASP 170 Ca 0.23 -0.07 -0.06 0.00 0.43 0.00 0.00 57.03 57.57 3gdm h ASP 170 Cb 0.19 -0.23 -0.02 0.00 -0.56 0.00 0.00 39.33 38.71 3gdm h ASP 170 CO -0.02 0.71 0.03 0.40 -1.57 0.00 0.00 179.24 178.79 3gdm h ILE 171 N 1.01 1.25 -0.98 0.35 2.04 -0.61 -2.69 117.51 117.88 3gdm h ILE 171 Ca 0.26 -0.96 0.04 0.00 1.00 0.00 0.00 64.86 65.20 3gdm h ILE 171 Cb 0.01 1.07 -0.06 0.00 -0.74 0.00 0.00 36.82 37.10 3gdm h ILE 171 CO -0.04 0.33 0.64 0.00 0.00 0.00 0.00 178.15 179.07 3gdm h ALA 172 N 0.91 1.38 0.00 1.87 0.00 -0.23 -1.31 119.26 121.88 3gdm h ALA 172 Ca 0.12 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3gdm h ALA 172 Cb 0.43 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3gdm h ALA 172 CO 0.02 0.52 0.00 1.63 0.00 0.00 0.00 179.25 181.42 3gdm n LYS 173 N -4.45 0.03 0.27 0.00 5.02 -0.29 -2.93 118.16 115.81 3gdm n LYS 173 Ca 0.13 0.42 0.17 0.00 -2.02 0.00 0.00 58.31 57.01 3gdm n LYS 173 Cb 0.11 -1.58 0.62 0.00 -0.02 0.00 0.00 35.03 34.16 3gdm n LYS 173 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3gdm h SER 174 N 0.00 0.00 -1.31 4.39 4.64 -1.16 -3.41 113.55 116.71 3gdm h SER 174 Ca 0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 3gdm h SER 174 Cb 0.12 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 61.97 3gdm h SER 174 CO 0.00 0.00 -0.48 -0.62 -0.87 0.00 0.00 176.83 174.86 3gdm s ASP 175 N -5.70 -0.71 0.09 4.97 -1.08 -1.15 -5.00 116.67 108.09 3gdm s ASP 175 Ca 0.02 -0.48 0.23 0.00 -0.52 0.00 0.00 52.55 51.80 3gdm s ASP 175 Cb 0.08 1.58 0.92 0.00 -1.46 0.00 0.00 42.92 44.05 3gdm s ASP 175 CO 0.55 -0.27 1.72 2.29 0.52 0.00 0.00 175.17 179.98 3gdm n LYS 176 N 4.95 0.09 0.12 4.34 2.85 -1.26 -0.82 118.16 128.43 3gdm n LYS 176 Ca 0.06 0.20 0.00 0.00 -1.05 0.00 0.00 58.31 57.53 3gdm n LYS 176 Cb 0.52 -1.64 -0.01 0.00 -0.65 0.00 0.00 35.03 33.26 3gdm n LYS 176 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 3gdm h ASP 177 N 0.00 0.00 0.00 -5.58 3.32 -1.94 -3.36 116.42 108.86 3gdm h ASP 177 Ca 0.00 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.89 3gdm h ASP 177 Cb 0.45 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.97 3gdm h ASP 177 CO 0.00 0.62 -1.59 0.33 -1.72 0.00 0.00 179.24 176.88 3gdm n PHE 178 N -3.26 0.00 -2.85 4.55 -0.00 -1.12 -4.39 117.46 110.39 3gdm n PHE 178 Ca 0.01 0.00 -0.43 0.00 -0.00 0.00 0.00 57.45 57.04 3gdm n PHE 178 Cb 0.78 -0.39 -0.04 0.00 -0.00 0.00 0.00 39.48 39.82 3gdm n PHE 178 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 3gdm s VAL 179 N -2.20 4.53 -2.19 -2.13 1.01 -0.00 -0.61 120.40 118.81 3gdm s VAL 179 Ca -0.14 0.75 0.24 0.00 0.00 0.00 0.00 61.98 62.83 3gdm s VAL 179 Cb 0.04 -4.39 0.10 0.00 0.00 0.00 0.00 36.38 32.13 3gdm s VAL 179 CO 0.23 -0.75 1.23 2.30 0.00 0.00 0.00 175.10 178.11 3gdm n ILE 180 N 6.28 0.00 -1.65 2.22 -5.35 -0.34 -4.56 119.36 115.95 3gdm n ILE 180 Ca 0.05 -0.28 0.00 0.00 -0.27 0.00 0.00 62.75 62.25 3gdm n ILE 180 Cb 0.48 1.12 0.00 0.00 -1.74 0.00 0.00 39.64 39.50 3gdm n ILE 180 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3gdm n GLY 181 N 1.38 -0.44 3.11 3.28 0.00 -1.25 -0.62 105.19 110.66 3gdm n GLY 181 Ca 0.11 -0.96 -0.07 0.00 0.00 0.00 0.00 46.02 45.10 3gdm n GLY 181 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gdm s PHE 182 N -3.57 0.43 -0.36 1.61 0.08 -0.36 -1.23 117.98 114.58 3gdm s PHE 182 Ca 0.00 -0.94 -0.16 0.00 0.12 0.00 0.00 56.93 55.95 3gdm s PHE 182 Cb 0.00 -0.31 -0.00 0.00 -0.57 0.00 0.00 43.02 42.13 3gdm s PHE 182 CO 0.00 -0.40 0.40 0.42 -0.10 0.00 0.00 175.22 175.53 3gdm s ILE 183 N -3.78 5.13 0.26 0.64 -1.09 -1.06 -1.56 121.20 119.74 3gdm s ILE 183 Ca 0.05 -0.01 -0.14 0.00 -2.23 0.00 0.00 60.65 58.33 3gdm s ILE 183 Cb 0.07 -3.89 -0.00 0.00 -1.58 0.00 0.00 42.46 37.06 3gdm s ILE 183 CO -0.10 -0.18 0.51 0.00 -1.23 0.00 0.00 174.94 173.94 3gdm s ALA 184 N 2.09 -0.35 -1.73 9.38 0.00 -0.45 -4.57 121.76 126.13 3gdm s ALA 184 Ca 0.13 -0.82 0.17 0.00 0.00 0.00 0.00 51.96 51.44 3gdm s ALA 184 Cb -0.17 1.04 0.34 0.00 0.00 0.00 0.00 23.12 24.33 3gdm s ALA 184 CO 0.12 -0.88 1.25 1.04 0.00 0.00 0.00 175.76 177.30 3gdm n GLN 185 N -0.40 2.24 -3.74 0.00 1.13 -1.26 -3.91 117.38 111.44 3gdm n GLN 185 Ca -0.02 -2.02 -0.09 0.00 -1.94 0.00 0.00 57.00 52.93 3gdm n GLN 185 Cb 0.61 -1.38 -0.02 0.00 0.11 0.00 0.00 30.24 29.56 3gdm n GLN 185 CO 0.00 0.00 0.00 -0.98 -1.44 0.00 0.00 177.06 174.64 3gdm s ARG 186 N -1.18 1.63 0.43 -1.09 1.70 -1.26 -4.95 118.95 114.23 3gdm s ARG 186 Ca 0.30 -0.84 -0.25 0.00 -0.47 0.00 0.00 55.73 54.46 3gdm s ARG 186 Cb 0.17 0.60 -0.08 0.00 -0.57 0.00 0.00 34.95 35.07 3gdm s ARG 186 CO 0.23 -0.74 1.32 0.34 -1.08 0.00 0.00 175.30 175.38 3gdm s ASP 187 N -2.87 6.11 -0.10 -2.89 2.15 -1.24 -4.91 116.67 112.91 3gdm s ASP 187 Ca 0.08 2.69 0.13 0.00 0.43 0.00 0.00 52.55 55.89 3gdm s ASP 187 Cb -0.04 -2.64 0.38 0.00 -0.30 0.00 0.00 42.92 40.32 3gdm s ASP 187 CO 0.01 -0.99 1.30 0.23 -0.17 0.00 0.00 175.17 175.55 3gdm n MET 188 N -0.10 2.74 0.00 4.34 2.81 -1.26 -5.09 117.12 120.56 3gdm n MET 188 Ca 0.05 -2.43 0.00 0.00 -1.81 0.00 0.00 57.70 53.51 3gdm n MET 188 Cb 0.44 -1.54 0.00 0.00 -0.71 0.00 0.00 33.22 31.41 3gdm n MET 188 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3gdm n GLY 189 N -0.26 1.90 1.59 3.03 0.00 -1.26 -4.93 105.19 105.26 3gdm n GLY 189 Ca 0.16 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.64 3gdm n GLY 189 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gdm n GLY 190 N 0.00 2.21 0.29 -0.02 0.00 -1.26 -4.75 105.19 101.66 3gdm n GLY 190 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 3gdm n GLY 190 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3gdm h ARG 191 N 2.64 0.98 0.00 1.61 3.08 -1.91 -0.68 114.38 120.09 3gdm h ARG 191 Ca 0.00 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 3gdm h ARG 191 Cb 0.00 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 29.84 3gdm h ARG 191 CO 0.00 0.69 -0.03 -0.44 -1.07 0.00 0.00 179.97 179.13 3gdm h ASP 192 N 0.98 0.00 -0.37 7.04 3.45 -1.91 -2.11 116.42 123.50 3gdm h ASP 192 Ca 0.26 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.72 3gdm h ASP 192 Cb -0.03 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.74 3gdm h ASP 192 CO -0.05 0.03 0.00 -0.62 -1.57 0.00 0.00 179.24 177.03 3gdm n GLU 193 N -4.34 2.28 -0.24 3.56 1.02 -0.95 -4.94 120.64 117.03 3gdm n GLU 193 Ca -0.03 -1.95 0.00 0.00 -0.02 0.00 0.00 57.16 55.17 3gdm n GLU 193 Cb 0.11 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.06 3gdm n GLU 193 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gdm n GLY 194 N 1.40 0.87 3.83 0.62 0.00 -0.79 -5.08 105.19 106.04 3gdm n GLY 194 Ca 0.19 -0.05 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 3gdm n GLY 194 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gdm s TYR 195 N -2.00 3.48 -0.57 1.61 1.51 -0.31 -5.01 117.35 116.07 3gdm s TYR 195 Ca 0.00 0.42 0.04 0.00 -1.01 0.00 0.00 57.07 56.52 3gdm s TYR 195 Cb 0.00 -1.89 0.16 0.00 -0.11 0.00 0.00 41.96 40.12 3gdm s TYR 195 CO 0.00 0.66 0.38 0.34 -1.11 0.00 0.00 175.55 175.82 3gdm s ASP 196 N -1.11 3.85 0.14 2.29 2.15 -1.26 -3.29 116.67 119.44 3gdm s ASP 196 Ca 0.16 -3.33 -0.24 0.00 0.43 0.00 0.00 52.55 49.57 3gdm s ASP 196 Cb -0.12 -1.28 -0.07 0.00 -0.30 0.00 0.00 42.92 41.15 3gdm s ASP 196 CO 0.05 -0.16 0.73 0.26 -0.17 0.00 0.00 175.17 175.89 3gdm s TRP 197 N -0.62 3.87 -0.04 -5.34 0.51 -1.26 -4.89 118.94 111.17 3gdm s TRP 197 Ca 0.24 1.55 -0.29 0.00 -2.12 0.00 0.00 56.10 55.48 3gdm s TRP 197 Cb -0.10 -2.72 -0.03 0.00 -0.81 0.00 0.00 33.47 29.82 3gdm s TRP 197 CO -0.11 0.51 0.94 -0.51 -0.51 0.00 0.00 176.95 177.26 3gdm s LEU 198 N -1.03 4.33 -0.34 2.99 1.43 0.21 -4.93 118.68 121.34 3gdm s LEU 198 Ca 0.35 1.54 -0.07 0.00 -1.03 0.00 0.00 54.13 54.91 3gdm s LEU 198 Cb -0.22 -3.48 0.03 0.00 0.03 0.00 0.00 46.19 42.56 3gdm s LEU 198 CO 0.24 -0.29 0.11 -0.63 0.23 0.00 0.00 176.35 176.02 3gdm s ILE 199 N 1.25 3.91 -0.20 -0.59 -1.09 -1.26 -1.22 121.20 121.99 3gdm s ILE 199 Ca 0.48 -1.03 -0.06 0.00 -2.23 0.00 0.00 60.65 57.81 3gdm s ILE 199 Cb -0.20 -3.18 -0.03 0.00 -1.58 0.00 0.00 42.46 37.47 3gdm s ILE 199 CO 0.24 -0.15 0.03 -0.04 -1.23 0.00 0.00 174.94 173.79 3gdm s MET 200 N 1.44 3.73 -0.20 2.79 -1.94 -0.60 -0.58 119.30 123.94 3gdm s MET 200 Ca -0.01 -0.46 0.01 0.00 -1.71 0.00 0.00 55.69 53.52 3gdm s MET 200 Cb -0.19 -3.17 0.02 0.00 2.01 0.00 0.00 34.83 33.50 3gdm s MET 200 CO 0.03 0.05 -0.16 0.99 -0.01 0.00 0.00 175.02 175.92 3gdm s THR 201 N 0.94 2.27 0.72 2.05 2.01 -0.16 -1.34 115.64 122.13 3gdm s THR 201 Ca 0.02 -0.98 -0.01 0.00 0.31 0.00 0.00 61.69 61.04 3gdm s THR 201 Cb -0.14 -2.02 0.13 0.00 0.01 0.00 0.00 72.50 70.48 3gdm s THR 201 CO 0.02 0.44 1.00 -2.16 -0.69 0.00 0.00 174.62 173.23 3gdm s PRO 202 N 1.29 1.66 -0.66 4.92 0.04 -1.26 -0.85 135.00 140.15 3gdm s PRO 202 Ca 0.03 -1.13 -0.01 0.00 0.04 0.00 0.00 61.00 59.93 3gdm s PRO 202 Cb -0.14 -2.33 -0.01 0.00 0.04 0.00 0.00 34.50 32.06 3gdm s PRO 202 CO -0.11 -1.46 0.55 0.41 0.04 0.00 0.00 177.00 176.44 3gdm n GLY 203 N -2.84 -0.07 3.16 0.56 0.00 -1.26 -4.90 105.19 99.84 3gdm n GLY 203 Ca 0.15 -0.06 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 3gdm n GLY 203 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gdm s VAL 204 N -3.21 1.45 0.10 1.61 1.01 -1.26 -2.22 120.40 117.88 3gdm s VAL 204 Ca 0.06 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.30 3gdm s VAL 204 Cb -0.01 -1.23 -0.00 0.00 0.00 0.00 0.00 36.38 35.14 3gdm s VAL 204 CO 0.41 0.41 0.11 0.61 0.00 0.00 0.00 175.10 176.65 3gdm n GLY 205 N 2.94 3.31 0.08 4.51 0.00 0.75 -4.84 105.19 111.94 3gdm n GLY 205 Ca -0.17 -1.60 0.10 0.00 0.00 0.00 0.00 46.02 44.35 3gdm n GLY 205 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gdm n LEU 206 N 0.00 2.37 -3.94 0.99 4.77 -1.26 -1.51 117.00 118.42 3gdm n LEU 206 Ca 0.01 -3.07 -0.34 0.00 -0.03 0.00 0.00 56.01 52.59 3gdm n LEU 206 Cb 0.17 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 3gdm n LEU 206 CO 0.09 0.71 -0.19 -0.67 -1.33 0.00 0.00 177.39 175.99 3gdm n ASP 207 N -1.41 -2.88 -4.73 -1.43 2.03 -1.26 -4.90 116.55 101.98 3gdm n ASP 207 Ca 0.16 -1.12 -0.41 0.00 0.52 0.00 0.00 54.79 53.93 3gdm n ASP 207 Cb 0.64 -2.62 -0.04 0.00 -0.72 0.00 0.00 41.12 38.38 3gdm n ASP 207 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 3gdm s ASP 208 N -3.84 7.26 0.27 1.67 1.01 -1.26 -4.98 116.67 116.79 3gdm s ASP 208 Ca 0.29 1.99 -0.30 0.00 0.71 0.00 0.00 52.55 55.25 3gdm s ASP 208 Cb -0.13 -2.59 -0.14 0.00 1.01 0.00 0.00 42.92 41.07 3gdm s ASP 208 CO 0.92 -0.27 1.25 0.29 0.21 0.00 0.00 175.17 177.56 3gdm n LYS 209 N 2.96 1.76 -0.37 8.23 5.02 -1.26 -1.81 118.16 132.68 3gdm n LYS 209 Ca 0.04 0.62 0.00 0.00 -2.02 0.00 0.00 58.31 56.96 3gdm n LYS 209 Cb 0.47 -2.17 0.00 0.00 -0.02 0.00 0.00 35.03 33.31 3gdm n LYS 209 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3gdm n GLY 210 N 1.58 1.31 3.38 0.72 0.00 -1.26 -4.94 105.19 105.97 3gdm n GLY 210 Ca 0.10 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.66 3gdm n GLY 210 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3gdm s ASP 211 N -2.97 6.73 0.11 1.61 2.15 -0.75 -4.91 116.67 118.64 3gdm s ASP 211 Ca 0.00 -2.47 -0.21 0.00 0.43 0.00 0.00 52.55 50.30 3gdm s ASP 211 Cb 0.00 -2.29 -0.10 0.00 -0.30 0.00 0.00 42.92 40.23 3gdm s ASP 211 CO 0.00 -0.76 1.75 0.00 -0.17 0.00 0.00 175.17 175.99 3gdm h ALA 212 N 8.16 0.12 -0.16 3.66 0.00 -1.92 -1.41 119.26 127.70 3gdm h ALA 212 Ca 0.13 0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.09 3gdm h ALA 212 Cb 1.03 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 3gdm h ALA 212 CO 0.90 -0.41 -0.10 1.25 0.00 0.00 0.00 179.25 180.90 3gdm h LEU 213 N 0.10 -0.32 -1.70 0.00 6.46 -1.98 -1.93 115.31 115.94 3gdm h LEU 213 Ca 0.04 0.07 -0.03 0.00 -0.12 0.00 0.00 57.88 57.84 3gdm h LEU 213 Cb 0.01 0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 40.10 3gdm h LEU 213 CO -0.03 -0.13 -0.11 1.23 -0.62 0.00 0.00 178.44 178.78 3gdm h GLY 214 N -0.09 0.05 1.06 3.75 0.00 -1.91 -2.32 103.07 103.61 3gdm h GLY 214 Ca 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.40 3gdm h GLY 214 CO -0.22 0.03 0.00 -1.06 0.00 0.00 0.00 176.54 175.29 3gdm n GLN 215 N -4.38 0.62 0.00 4.80 6.02 -0.55 -2.17 117.38 121.72 3gdm n GLN 215 Ca -0.02 0.01 0.13 0.00 -0.01 0.00 0.00 57.00 57.11 3gdm n GLN 215 Cb 0.20 -1.50 0.40 0.00 1.02 0.00 0.00 30.24 30.36 3gdm n GLN 215 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3gdm n GLN 216 N -1.03 0.02 -3.77 -1.09 1.13 -0.87 -4.89 117.38 106.87 3gdm n GLN 216 Ca 0.15 -0.01 -0.21 0.00 -1.94 0.00 0.00 57.00 55.00 3gdm n GLN 216 Cb 0.08 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 28.91 3gdm n GLN 216 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 3gdm s TYR 217 N -2.99 3.06 0.53 1.08 2.02 -0.92 -5.05 117.35 115.09 3gdm s TYR 217 Ca 0.13 -0.22 -0.14 0.00 -0.37 0.00 0.00 57.07 56.47 3gdm s TYR 217 Cb 0.18 -1.77 -0.06 0.00 -0.40 0.00 0.00 41.96 39.90 3gdm s TYR 217 CO 0.63 0.20 0.97 1.03 -1.57 0.00 0.00 175.55 176.81 3gdm s ARG 218 N -4.03 3.82 0.63 -0.62 0.52 -0.94 -4.62 118.95 113.71 3gdm s ARG 218 Ca 0.40 0.81 -0.12 0.00 -0.52 0.00 0.00 55.73 56.31 3gdm s ARG 218 Cb -0.08 -2.16 -0.03 0.00 0.52 0.00 0.00 34.95 33.21 3gdm s ARG 218 CO 0.28 -0.33 1.04 0.95 0.02 0.00 0.00 175.30 177.26 3gdm s THR 219 N -2.76 4.42 0.15 0.02 -4.23 -1.26 -0.18 115.64 111.80 3gdm s THR 219 Ca 0.56 0.84 -0.17 0.00 -1.18 0.00 0.00 61.69 61.74 3gdm s THR 219 Cb -0.10 -3.68 0.02 0.00 1.34 0.00 0.00 72.50 70.08 3gdm s THR 219 CO 0.38 -0.98 1.73 0.58 -0.54 0.00 0.00 174.62 175.79 3gdm h VAL 220 N -0.29 0.82 -0.42 2.29 2.07 -1.64 -2.21 116.25 116.88 3gdm h VAL 220 Ca -0.44 -0.05 -0.07 0.00 0.82 0.00 0.00 66.70 66.95 3gdm h VAL 220 Cb 1.20 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 3gdm h VAL 220 CO 0.60 0.03 -0.03 -0.78 0.02 0.00 0.00 177.57 177.41 3gdm h ASP 221 N 0.16 0.66 0.33 0.57 1.82 -1.88 -1.53 116.42 116.55 3gdm h ASP 221 Ca 0.15 -0.16 -0.00 0.00 -0.39 0.00 0.00 57.03 56.63 3gdm h ASP 221 Cb 0.18 -0.18 -0.02 0.00 0.68 0.00 0.00 39.33 39.99 3gdm h ASP 221 CO -0.21 0.75 -0.30 -0.78 -1.61 0.00 0.00 179.24 177.09 3gdm h ASP 222 N 0.65 -0.80 -0.40 2.28 -0.00 -1.80 0.13 116.42 116.49 3gdm h ASP 222 Ca 0.13 0.07 -0.13 0.00 -0.00 0.00 0.00 57.03 57.10 3gdm h ASP 222 Cb 0.45 0.27 -0.01 0.00 -0.00 0.00 0.00 39.33 40.03 3gdm h ASP 222 CO 0.02 -0.43 -0.24 -0.37 -0.00 0.00 0.00 179.24 178.22 3gdm h VAL 223 N -0.65 1.28 -0.48 2.25 -1.51 -1.34 -2.81 116.25 113.00 3gdm h VAL 223 Ca -0.02 -1.39 -0.13 0.00 -1.23 0.00 0.00 66.70 63.93 3gdm h VAL 223 Cb 0.58 1.31 -0.01 0.00 -2.13 0.00 0.00 31.29 31.04 3gdm h VAL 223 CO -0.04 0.47 -0.20 0.58 -1.23 0.00 0.00 177.57 177.15 3gdm h VAL 224 N 0.68 1.27 0.00 7.19 2.07 -1.24 -1.13 116.25 125.09 3gdm h VAL 224 Ca 0.08 -1.35 -0.01 0.00 0.82 0.00 0.00 66.70 66.24 3gdm h VAL 224 Cb 0.81 1.11 -0.00 0.00 -1.52 0.00 0.00 31.29 31.69 3gdm h VAL 224 CO 0.07 0.47 -0.06 0.77 0.02 0.00 0.00 177.57 178.84 3gdm h SER 225 N 0.84 0.00 -0.64 0.57 4.64 -0.98 -2.79 113.55 115.19 3gdm h SER 225 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 3gdm h SER 225 Cb 0.76 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 3gdm h SER 225 CO 0.06 0.06 0.00 0.41 -0.87 0.00 0.00 176.83 176.49 3gdm n THR 226 N -3.24 1.22 0.00 2.95 -1.04 -0.98 -4.93 114.28 108.26 3gdm n THR 226 Ca -0.01 -0.97 0.00 0.00 -2.04 0.00 0.00 64.05 61.03 3gdm n THR 226 Cb 0.27 0.30 0.00 0.00 -1.82 0.00 0.00 70.33 69.08 3gdm n THR 226 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3gdm n GLY 227 N 1.37 1.00 3.73 3.41 0.00 -1.05 -3.68 105.19 109.97 3gdm n GLY 227 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 3gdm n GLY 227 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gdm s SER 228 N -1.52 7.10 -0.14 1.61 0.01 -0.46 -4.59 113.70 115.72 3gdm s SER 228 Ca 0.00 2.17 0.09 0.00 1.31 0.00 0.00 55.95 59.52 3gdm s SER 228 Cb 0.00 -2.60 -0.23 0.00 0.21 0.00 0.00 66.02 63.40 3gdm s SER 228 CO 0.00 -0.38 0.30 0.47 0.41 0.00 0.00 173.24 174.04 3gdm n ASP 229 N 2.81 0.99 -4.01 2.44 8.00 0.26 -4.50 116.55 122.55 3gdm n ASP 229 Ca 0.05 0.17 -0.20 0.00 0.71 0.00 0.00 54.79 55.52 3gdm n ASP 229 Cb 0.45 0.07 -0.15 0.00 -0.02 0.00 0.00 41.12 41.47 3gdm n ASP 229 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3gdm s ILE 230 N -2.55 0.75 -0.18 0.53 1.01 -0.78 -4.80 121.20 115.18 3gdm s ILE 230 Ca -0.14 -0.36 -0.07 0.00 0.00 0.00 0.00 60.65 60.08 3gdm s ILE 230 Cb 0.07 -0.65 -0.04 0.00 0.01 0.00 0.00 42.46 41.85 3gdm s ILE 230 CO 0.78 0.23 0.05 0.27 0.00 0.00 0.00 174.94 176.27 3gdm s ILE 231 N 0.05 4.71 -0.33 2.92 -4.36 -0.27 -0.99 121.20 122.93 3gdm s ILE 231 Ca -0.01 -0.06 -0.12 0.00 -0.26 0.00 0.00 60.65 60.20 3gdm s ILE 231 Cb -0.07 -3.12 -0.02 0.00 1.25 0.00 0.00 42.46 40.51 3gdm s ILE 231 CO 0.00 0.47 0.22 -0.63 0.24 0.00 0.00 174.94 175.24 3gdm s ILE 232 N 0.34 5.14 -0.04 8.37 1.01 -0.03 -0.60 121.20 135.39 3gdm s ILE 232 Ca 0.02 -0.25 0.07 0.00 0.00 0.00 0.00 60.65 60.49 3gdm s ILE 232 Cb -0.12 -3.63 -0.01 0.00 0.01 0.00 0.00 42.46 38.70 3gdm s ILE 232 CO 0.00 0.01 -0.25 -0.69 0.00 0.00 0.00 174.94 174.02 3gdm s VAL 233 N 1.70 2.02 0.00 2.92 1.01 -0.14 -4.03 120.40 123.89 3gdm s VAL 233 Ca 0.06 -1.07 0.00 0.00 0.00 0.00 0.00 61.98 60.97 3gdm s VAL 233 Cb -0.17 -1.70 0.00 0.00 0.00 0.00 0.00 36.38 34.51 3gdm s VAL 233 CO 0.10 0.57 0.00 0.61 0.00 0.00 0.00 175.10 176.37 3gdm n GLY 234 N 2.75 1.03 0.42 4.51 0.00 -1.26 -0.60 105.19 112.03 3gdm n GLY 234 Ca -0.17 0.00 0.23 0.00 0.00 0.00 0.00 46.02 46.08 3gdm n GLY 234 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3gdm h ARG 235 N 0.00 0.00 0.00 1.61 3.08 -2.00 0.40 114.38 117.46 3gdm h ARG 235 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3gdm h ARG 235 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3gdm h ARG 235 CO 0.00 0.00 0.00 0.78 -1.07 0.00 0.00 179.97 179.68 3gdm h GLY 236 N 0.00 0.00 0.91 0.04 0.00 -1.93 0.87 103.07 102.96 3gdm h GLY 236 Ca 0.27 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.58 3gdm h GLY 236 CO -0.00 0.00 -1.12 1.04 0.00 0.00 0.00 176.54 176.46 3gdm n LEU 237 N -2.36 0.78 0.00 3.11 4.77 0.13 -4.76 117.00 118.67 3gdm n LEU 237 Ca -0.01 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 3gdm n LEU 237 Cb 0.06 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 3gdm n LEU 237 CO 0.12 -0.15 0.00 2.22 -1.33 0.00 0.00 177.39 178.25 3gdm n PHE 238 N -2.66 0.00 -1.84 -1.77 1.16 -0.69 -3.48 117.46 108.17 3gdm n PHE 238 Ca -0.01 0.00 -0.29 0.00 -1.87 0.00 0.00 57.45 55.28 3gdm n PHE 238 Cb 0.58 0.00 0.10 0.00 -1.61 0.00 0.00 39.48 38.54 3gdm n PHE 238 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3gdm s ALA 239 N 0.00 2.50 -1.61 1.98 0.00 0.22 -3.86 121.76 120.99 3gdm s ALA 239 Ca 0.00 -0.63 -0.16 0.00 0.00 0.00 0.00 51.96 51.17 3gdm s ALA 239 Cb 0.00 -2.97 0.12 0.00 0.00 0.00 0.00 23.12 20.27 3gdm s ALA 239 CO 0.00 -1.78 0.90 1.63 0.00 0.00 0.00 175.76 176.51 3gdm n LYS 240 N -3.40 -4.50 -1.10 0.00 5.02 -1.26 -1.89 118.16 111.03 3gdm n LYS 240 Ca 0.08 0.50 -0.04 0.00 -2.02 0.00 0.00 58.31 56.83 3gdm n LYS 240 Cb 0.61 -5.33 -0.02 0.00 -0.02 0.00 0.00 35.03 30.28 3gdm n LYS 240 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3gdm n GLY 241 N -1.56 0.66 3.84 0.72 0.00 -1.26 -5.03 105.19 102.55 3gdm n GLY 241 Ca 0.06 -0.67 -0.31 0.00 0.00 0.00 0.00 46.02 45.10 3gdm n GLY 241 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gdm s ARG 242 N -1.96 3.30 -0.41 1.61 0.52 -0.79 -5.02 118.95 116.20 3gdm s ARG 242 Ca 0.00 0.90 -0.16 0.00 -0.52 0.00 0.00 55.73 55.95 3gdm s ARG 242 Cb 0.00 -2.04 0.02 0.00 0.52 0.00 0.00 34.95 33.45 3gdm s ARG 242 CO 0.00 -0.81 0.38 0.34 0.02 0.00 0.00 175.30 175.23 3gdm s ASP 243 N -3.79 6.16 0.26 0.23 3.68 -1.26 -4.77 116.67 117.18 3gdm s ASP 243 Ca 0.57 -0.70 -0.01 0.00 2.13 0.00 0.00 52.55 54.54 3gdm s ASP 243 Cb -0.13 -2.20 0.50 0.00 -1.45 0.00 0.00 42.92 39.65 3gdm s ASP 243 CO 0.51 -0.51 1.79 0.00 0.13 0.00 0.00 175.17 177.09 3gdm h ALA 244 N 8.67 1.29 -0.35 3.66 0.00 -1.90 0.34 119.26 130.96 3gdm h ALA 244 Ca -0.27 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 3gdm h ALA 244 Cb 1.12 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 3gdm h ALA 244 CO 0.76 0.01 0.11 0.87 0.00 0.00 0.00 179.25 180.99 3gdm h LYS 245 N 0.72 0.55 -0.29 0.00 1.57 -1.86 0.27 116.57 117.54 3gdm h LYS 245 Ca 0.45 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 59.09 3gdm h LYS 245 Cb 0.55 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 3gdm h LYS 245 CO -0.32 0.58 0.11 0.28 -0.57 0.00 0.00 179.45 179.53 3gdm h VAL 246 N 0.42 1.18 -0.31 0.50 2.07 -1.74 -1.78 116.25 116.60 3gdm h VAL 246 Ca 0.11 -0.57 -0.13 0.00 0.82 0.00 0.00 66.70 66.93 3gdm h VAL 246 Cb 0.26 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 3gdm h VAL 246 CO -0.00 0.19 -0.35 -0.33 0.02 0.00 0.00 177.57 177.10 3gdm h GLU 247 N 0.31 0.68 -0.59 1.57 4.39 -0.88 -1.22 114.58 118.85 3gdm h GLU 247 Ca 0.10 -0.33 0.03 0.00 0.34 0.00 0.00 59.36 59.50 3gdm h GLU 247 Cb 0.20 -0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.80 3gdm h GLU 247 CO -0.01 0.93 0.36 0.78 -1.16 0.00 0.00 179.01 179.91 3gdm h GLY 248 N 0.98 0.84 1.10 -3.84 0.00 -0.28 -0.09 103.07 101.79 3gdm h GLY 248 Ca 0.06 -0.27 -0.13 0.00 0.00 0.00 0.00 47.33 46.99 3gdm h GLY 248 CO 0.08 0.22 -0.20 -2.09 0.00 0.00 0.00 176.54 174.55 3gdm h GLU 249 N 0.70 1.00 -0.17 4.80 4.57 -1.14 -0.71 114.58 123.63 3gdm h GLU 249 Ca 0.24 -0.42 -0.00 0.00 -1.18 0.00 0.00 59.36 57.99 3gdm h GLU 249 Cb 0.03 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 3gdm h GLU 249 CO -0.11 1.10 0.09 -0.09 -1.18 0.00 0.00 179.01 178.82 3gdm h ARG 250 N 0.86 0.24 -0.24 1.92 2.43 -0.65 0.81 114.38 119.74 3gdm h ARG 250 Ca 0.11 -0.03 -0.17 0.00 -0.81 0.00 0.00 59.98 59.09 3gdm h ARG 250 Cb 0.78 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.28 3gdm h ARG 250 CO 0.06 0.25 -0.53 1.88 -1.51 0.00 0.00 179.97 180.13 3gdm h TYR 251 N 0.16 0.87 -0.08 2.20 -1.99 -1.04 -1.88 116.97 115.21 3gdm h TYR 251 Ca 0.06 -0.30 0.00 0.00 2.00 0.00 0.00 58.73 60.49 3gdm h TYR 251 Cb 0.08 -0.17 -0.00 0.00 2.00 0.00 0.00 36.73 38.64 3gdm h TYR 251 CO -0.04 1.07 0.05 -0.09 -0.00 0.00 0.00 178.16 179.16 3gdm h ARG 252 N 0.54 0.10 -0.47 4.88 2.43 -0.93 0.57 114.38 121.51 3gdm h ARG 252 Ca 0.02 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.19 3gdm h ARG 252 Cb 1.10 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.60 3gdm h ARG 252 CO 0.11 0.06 0.30 -0.22 -1.51 0.00 0.00 179.97 178.71 3gdm h LYS 253 N 0.10 0.58 -0.58 0.20 3.64 -0.81 -0.62 116.57 119.08 3gdm h LYS 253 Ca 0.03 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 3gdm h LYS 253 Cb -0.01 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.66 3gdm h LYS 253 CO -0.01 0.39 0.21 0.00 -2.27 0.00 0.00 179.45 177.76 3gdm h ALA 254 N 1.19 0.76 -0.51 5.00 0.00 -1.09 -0.44 119.26 124.16 3gdm h ALA 254 Ca 0.18 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 3gdm h ALA 254 Cb -0.04 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3gdm h ALA 254 CO -0.06 0.39 -0.13 0.78 0.00 0.00 0.00 179.25 180.24 3gdm h GLY 255 N 0.81 1.05 0.98 0.00 0.00 -0.61 -1.75 103.07 103.55 3gdm h GLY 255 Ca 0.19 -0.85 -0.12 0.00 0.00 0.00 0.00 47.33 46.55 3gdm h GLY 255 CO -0.01 0.78 -0.26 -0.25 0.00 0.00 0.00 176.54 176.80 3gdm h TRP 256 N 0.86 0.86 -0.87 5.60 2.91 -0.94 -1.48 115.95 122.89 3gdm h TRP 256 Ca 0.13 -0.24 -0.02 0.00 1.13 0.00 0.00 58.89 59.88 3gdm h TRP 256 Cb 0.68 -0.19 -0.04 0.00 -0.51 0.00 0.00 29.16 29.10 3gdm h TRP 256 CO 0.04 0.99 0.45 1.49 -1.03 0.00 0.00 178.44 180.39 3gdm h GLU 257 N 0.49 1.24 -0.59 2.65 4.57 -1.03 0.45 114.58 122.36 3gdm h GLU 257 Ca 0.06 -0.16 -0.08 0.00 -1.18 0.00 0.00 59.36 58.00 3gdm h GLU 257 Cb 0.82 -0.23 -0.02 0.00 -0.16 0.00 0.00 28.75 29.15 3gdm h GLU 257 CO 0.07 0.92 0.05 0.00 -1.18 0.00 0.00 179.01 178.87 3gdm h ALA 258 N 1.25 0.98 -0.43 2.92 0.00 -1.20 -1.83 119.26 120.94 3gdm h ALA 258 Ca 0.30 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3gdm h ALA 258 Cb 0.07 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3gdm h ALA 258 CO -0.04 0.63 0.09 -0.92 0.00 0.00 0.00 179.25 179.00 3gdm h TYR 259 N 0.91 0.74 -0.46 0.00 3.20 -0.53 -2.30 116.97 118.54 3gdm h TYR 259 Ca 0.18 -0.10 -0.04 0.00 3.14 0.00 0.00 58.73 61.91 3gdm h TYR 259 Cb 0.47 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.51 3gdm h TYR 259 CO 0.03 0.70 0.11 -0.07 -1.64 0.00 0.00 178.16 177.30 3gdm h LEU 260 N 0.57 0.64 -0.41 2.82 3.38 -0.72 -2.62 115.31 118.97 3gdm h LEU 260 Ca 0.13 -0.10 -0.16 0.00 0.09 0.00 0.00 57.88 57.85 3gdm h LEU 260 Cb 0.35 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3gdm h LEU 260 CO 0.01 0.63 -0.38 -0.09 0.09 0.00 0.00 178.44 178.70 3gdm h ARG 261 N 0.67 0.92 -0.05 1.13 2.43 -1.10 -2.96 114.38 115.42 3gdm h ARG 261 Ca 0.15 -0.48 -0.09 0.00 -0.81 0.00 0.00 59.98 58.75 3gdm h ARG 261 Cb 0.25 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 3gdm h ARG 261 CO -0.00 1.13 -0.40 0.07 -1.51 0.00 0.00 179.97 179.26 3gdm h ARG 262 N 0.75 0.11 0.00 0.20 0.11 -1.25 -3.52 114.38 110.79 3gdm h ARG 262 Ca 0.06 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 60.09 3gdm h ARG 262 Cb 0.97 -0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.05 3gdm h ARG 262 CO 0.09 0.50 0.00 0.00 0.10 0.00 0.00 179.97 180.67