#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x81 s LEU 23 N 0.00 1.60 0.19 1.53 1.43 -1.26 -5.06 118.68 117.12 1x81 s LEU 23 Ca 0.00 -0.10 -0.20 0.00 -1.03 0.00 0.00 54.13 52.80 1x81 s LEU 23 Cb 0.00 -0.35 0.14 0.00 0.03 0.00 0.00 46.19 46.01 1x81 s LEU 23 CO 0.00 -0.01 1.58 0.22 0.23 0.00 0.00 176.35 178.38 1x81 h TYR 24 N 6.67 -0.92 -0.02 0.29 3.20 -1.96 0.67 116.97 124.90 1x81 h TYR 24 Ca -0.35 0.08 0.01 0.00 3.14 0.00 0.00 58.73 61.60 1x81 h TYR 24 Cb 1.17 0.50 -0.00 0.00 1.54 0.00 0.00 36.73 39.93 1x81 h TYR 24 CO 0.46 -0.38 0.11 0.77 -1.64 0.00 0.00 178.16 177.48 1x81 h SER 25 N -0.14 0.00 -0.01 -2.11 0.02 -1.93 -2.63 113.55 106.75 1x81 h SER 25 Ca 0.25 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 1x81 h SER 25 Cb 0.55 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.09 1x81 h SER 25 CO -0.71 0.00 -0.22 0.18 -1.14 0.00 0.00 176.83 174.94 1x81 n LEU 26 N -3.14 1.35 -4.73 5.07 4.32 0.22 -4.96 117.00 115.13 1x81 n LEU 26 Ca -0.02 -0.78 -0.41 0.00 -0.02 0.00 0.00 56.01 54.78 1x81 n LEU 26 Cb 0.18 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 41.99 1x81 n LEU 26 CO 0.19 0.27 0.99 0.54 -1.22 0.00 0.00 177.39 178.16 1x81 n ARG 27 N -0.16 2.19 -0.22 3.23 1.74 -0.05 -4.88 116.66 118.50 1x81 n ARG 27 Ca 0.05 0.78 0.03 0.00 -0.77 0.00 0.00 57.85 57.93 1x81 n ARG 27 Cb 0.24 -2.51 0.14 0.00 -1.02 0.00 0.00 32.46 29.31 1x81 n ARG 27 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 1x81 h PRO 28 N 2.34 0.30 -0.16 5.56 0.11 -1.92 -0.87 132.00 137.37 1x81 h PRO 28 Ca -0.49 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 65.64 1x81 h PRO 28 Cb 1.28 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1x81 h PRO 28 CO 0.61 0.20 0.30 0.93 -0.21 0.00 0.00 178.00 179.83 1x81 h GLU 29 N 0.31 0.00 0.00 1.05 3.07 -1.96 -0.18 114.58 116.88 1x81 h GLU 29 Ca 0.36 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.21 1x81 h GLU 29 Cb 0.55 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.46 1x81 h GLU 29 CO -0.42 0.00 -0.06 1.25 -1.40 0.00 0.00 179.01 178.38 1x81 h HIS 30 N 0.00 0.00 0.00 4.33 2.76 -1.45 0.16 115.15 120.95 1x81 h HIS 30 Ca 0.07 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.24 1x81 h HIS 30 Cb 0.68 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.64 1x81 h HIS 30 CO 0.00 0.06 0.00 0.00 -1.30 0.00 0.00 177.93 176.69 1x81 h ALA 31 N 1.94 1.00 -0.04 5.26 0.00 -1.17 -0.84 119.26 125.41 1x81 h ALA 31 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1x81 h ALA 31 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1x81 h ALA 31 CO 0.01 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.80 1x81 n ARG 32 N -2.79 1.11 -0.69 0.00 1.74 0.56 -3.71 116.66 112.89 1x81 n ARG 32 Ca -0.01 -0.18 0.00 0.00 -0.77 0.00 0.00 57.85 56.90 1x81 n ARG 32 Cb 0.16 -1.15 0.23 0.00 -1.02 0.00 0.00 32.46 30.68 1x81 n ARG 32 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1x81 n GLU 33 N -0.46 2.49 -2.55 5.56 -0.58 -0.32 -5.02 120.64 119.75 1x81 n GLU 33 Ca 0.07 -3.02 -0.28 0.00 -0.42 0.00 0.00 57.16 53.51 1x81 n GLU 33 Cb 0.07 -1.88 -0.00 0.00 -0.57 0.00 0.00 31.44 29.05 1x81 n GLU 33 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1x81 s ARG 34 N -3.05 3.56 0.38 3.49 1.81 -1.24 -3.88 118.95 120.02 1x81 s ARG 34 Ca 0.45 0.28 -0.28 0.00 -1.72 0.00 0.00 55.73 54.47 1x81 s ARG 34 Cb 0.38 -2.34 -0.11 0.00 -0.45 0.00 0.00 34.95 32.43 1x81 s ARG 34 CO 0.06 -0.24 1.43 -0.11 -0.68 0.00 0.00 175.30 175.76 1x81 n LEU 35 N -2.27 4.52 -4.03 2.53 7.94 -1.26 -4.99 117.00 119.44 1x81 n LEU 35 Ca 0.01 1.21 -0.31 0.00 -1.11 0.00 0.00 56.01 55.81 1x81 n LEU 35 Cb 0.55 -1.59 -0.15 0.00 0.53 0.00 0.00 43.42 42.76 1x81 n LEU 35 CO 0.54 -0.03 -0.34 -1.10 -1.11 0.00 0.00 177.39 175.34 1x81 s GLN 36 N -2.09 1.63 0.00 1.96 -0.21 -1.26 -4.97 119.66 114.72 1x81 s GLN 36 Ca 0.55 -1.79 0.00 0.00 0.02 0.00 0.00 55.36 54.13 1x81 s GLN 36 Cb -0.49 -3.18 0.00 0.00 1.00 0.00 0.00 33.01 30.33 1x81 s GLN 36 CO 0.63 -0.89 0.81 -0.40 -2.12 0.00 0.00 175.29 173.32 1x81 n ASP 37 N 4.30 0.28 -2.48 5.90 5.75 -1.26 -4.83 116.55 124.21 1x81 n ASP 37 Ca 0.01 -1.91 -0.11 0.00 -0.01 0.00 0.00 54.79 52.77 1x81 n ASP 37 Cb 0.42 -0.14 -0.01 0.00 -1.03 0.00 0.00 41.12 40.37 1x81 n ASP 37 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1x81 n ASP 38 N -0.35 -3.61 -1.23 -1.12 8.00 -1.26 0.04 116.55 117.01 1x81 n ASP 38 Ca 0.00 0.21 -0.15 0.00 0.71 0.00 0.00 54.79 55.55 1x81 n ASP 38 Cb 0.07 -3.08 -0.07 0.00 -0.02 0.00 0.00 41.12 38.02 1x81 n ASP 38 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1x81 n SER 39 N -1.79 -5.27 -4.02 -2.24 7.64 -1.26 -4.92 113.62 101.76 1x81 n SER 39 Ca -0.13 0.38 -0.33 0.00 1.01 0.00 0.00 58.87 59.81 1x81 n SER 39 Cb 0.60 -4.33 -0.12 0.00 -1.01 0.00 0.00 64.21 59.35 1x81 n SER 39 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1x81 s VAL 40 N -2.30 3.10 0.14 0.44 1.01 0.11 -5.10 120.40 117.80 1x81 s VAL 40 Ca 0.00 -3.16 -0.30 0.00 0.00 0.00 0.00 61.98 58.52 1x81 s VAL 40 Cb 0.00 -3.08 -0.07 0.00 0.00 0.00 0.00 36.38 33.23 1x81 s VAL 40 CO 0.00 -0.83 1.12 -1.61 0.00 0.00 0.00 175.10 173.78 1x81 s GLU 41 N -0.19 4.55 0.24 2.72 2.02 -1.26 -4.92 118.70 121.85 1x81 s GLU 41 Ca 0.17 1.72 0.01 0.00 0.02 0.00 0.00 54.97 56.88 1x81 s GLU 41 Cb -0.23 -3.31 -0.05 0.00 0.10 0.00 0.00 34.13 30.64 1x81 s GLU 41 CO -0.02 -0.02 0.10 0.95 0.02 0.00 0.00 175.26 176.29 1x81 s THR 42 N 0.18 0.41 0.29 3.63 -4.23 -1.26 -5.03 115.64 109.62 1x81 s THR 42 Ca 0.52 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 59.01 1x81 s THR 42 Cb -0.29 -2.57 0.26 0.00 1.34 0.00 0.00 72.50 71.24 1x81 s THR 42 CO 0.33 -0.03 1.96 0.58 -0.54 0.00 0.00 174.62 176.92 1x81 h VAL 43 N 2.47 1.22 -0.37 2.29 2.07 -1.99 -1.40 116.25 120.53 1x81 h VAL 43 Ca -0.38 -0.40 -0.04 0.00 0.82 0.00 0.00 66.70 66.70 1x81 h VAL 43 Cb 1.25 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1x81 h VAL 43 CO 0.59 0.21 0.07 0.74 0.02 0.00 0.00 177.57 179.20 1x81 h THR 44 N 1.16 1.24 -0.16 2.57 2.02 -1.97 -1.16 112.91 116.60 1x81 h THR 44 Ca 0.32 -0.83 0.02 0.00 0.77 0.00 0.00 66.41 66.69 1x81 h THR 44 Cb -0.12 1.06 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 1x81 h THR 44 CO -0.07 0.28 0.02 -1.28 0.37 0.00 0.00 175.52 174.84 1x81 h SER 45 N 0.46 -0.01 -0.62 4.18 0.87 -1.84 0.51 113.55 117.11 1x81 h SER 45 Ca 0.11 0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.70 1x81 h SER 45 Cb 0.35 0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.32 1x81 h SER 45 CO 0.01 0.02 0.38 0.40 -0.53 0.00 0.00 176.83 177.10 1x81 h ILE 46 N 0.09 1.18 -0.30 2.23 2.04 -1.20 -0.22 117.51 121.32 1x81 h ILE 46 Ca 0.07 -0.39 -0.15 0.00 1.00 0.00 0.00 64.86 65.40 1x81 h ILE 46 Cb 0.07 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 1x81 h ILE 46 CO -0.10 0.18 -0.40 -0.33 0.00 0.00 0.00 178.15 177.49 1x81 h GLU 47 N 0.83 0.73 0.00 2.37 4.39 -0.84 -2.60 114.58 119.47 1x81 h GLU 47 Ca 0.22 -0.38 -0.04 0.00 0.34 0.00 0.00 59.36 59.49 1x81 h GLU 47 Cb -0.03 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 1x81 h GLU 47 CO -0.04 1.00 -0.21 0.37 -1.16 0.00 0.00 179.01 178.97 1x81 h GLN 48 N 0.60 0.00 -0.28 2.33 5.75 -0.69 -3.03 115.11 119.79 1x81 h GLN 48 Ca 0.05 0.00 -0.09 0.00 -0.15 0.00 0.00 58.65 58.45 1x81 h GLN 48 Cb 0.95 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.49 1x81 h GLN 48 CO 0.09 0.21 -0.20 0.00 -2.65 0.00 0.00 178.83 176.28 1x81 h ALA 49 N 1.79 0.40 -0.71 3.38 0.00 -0.78 -2.22 119.26 121.12 1x81 h ALA 49 Ca -0.00 -0.35 0.03 0.00 0.00 0.00 0.00 54.91 54.58 1x81 h ALA 49 Cb 0.84 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 1x81 h ALA 49 CO 0.03 0.33 0.45 0.87 0.00 0.00 0.00 179.25 180.93 1x81 h LYS 50 N 0.36 0.86 0.40 0.00 1.57 -1.36 -2.11 116.57 116.30 1x81 h LYS 50 Ca 0.05 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1x81 h LYS 50 Cb 0.74 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1x81 h LYS 50 CO 0.05 0.57 -0.19 0.28 -0.57 0.00 0.00 179.45 179.59 1x81 h VAL 51 N 0.89 0.60 -0.54 0.50 2.07 -1.44 -1.75 116.25 116.59 1x81 h VAL 51 Ca 0.28 -0.26 0.06 0.00 0.82 0.00 0.00 66.70 67.60 1x81 h VAL 51 Cb 0.00 0.74 -0.05 0.00 -1.52 0.00 0.00 31.29 30.45 1x81 h VAL 51 CO -0.10 0.05 0.25 -0.33 0.02 0.00 0.00 177.57 177.45 1x81 h GLU 52 N -0.69 0.46 -0.74 1.57 5.08 -1.35 0.01 114.58 118.92 1x81 h GLU 52 Ca -0.05 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.31 1x81 h GLU 52 Cb 0.49 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.59 1x81 h GLU 52 CO 0.09 0.30 0.46 1.49 -1.00 0.00 0.00 179.01 180.35 1x81 h GLU 53 N 0.47 0.86 0.42 2.33 4.22 -1.35 -0.29 114.58 121.25 1x81 h GLU 53 Ca 0.25 -0.05 -0.02 0.00 0.08 0.00 0.00 59.36 59.62 1x81 h GLU 53 Cb 0.21 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1x81 h GLU 53 CO -0.20 0.57 -0.20 0.87 -2.18 0.00 0.00 179.01 177.86 1x81 h LYS 54 N 0.89 -0.55 0.00 1.92 1.57 -0.61 -2.12 116.57 117.67 1x81 h LYS 54 Ca 0.30 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.12 1x81 h LYS 54 Cb 0.04 0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1x81 h LYS 54 CO -0.12 -0.24 0.08 -0.89 -0.57 0.00 0.00 179.45 177.71 1x81 n ILE 55 N -5.21 1.54 0.03 1.86 2.08 -0.08 -0.84 119.36 118.74 1x81 n ILE 55 Ca -0.10 0.46 -0.19 0.00 0.56 0.00 0.00 62.75 63.49 1x81 n ILE 55 Cb 0.29 -1.46 -0.13 0.00 -0.75 0.00 0.00 39.64 37.58 1x81 n ILE 55 CO 0.00 0.00 0.00 -0.61 0.56 0.00 0.00 176.55 176.50 1x81 h GLN 56 N 0.00 0.31 -0.77 0.38 5.75 -0.35 -2.97 115.11 117.45 1x81 h GLN 56 Ca 0.00 -0.45 0.05 0.00 -0.15 0.00 0.00 58.65 58.09 1x81 h GLN 56 Cb 0.16 0.16 -0.05 0.00 1.07 0.00 0.00 27.48 28.81 1x81 h GLN 56 CO 0.00 1.18 0.48 0.93 -2.65 0.00 0.00 178.83 178.77 1x81 h GLU 57 N -0.34 0.87 0.29 1.69 5.08 -0.90 0.77 114.58 122.04 1x81 h GLU 57 Ca -0.11 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1x81 h GLU 57 Cb 1.49 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 30.52 1x81 h GLU 57 CO 0.13 0.58 -0.39 0.28 -1.00 0.00 0.00 179.01 178.60 1x81 h VAL 58 N 0.90 0.20 -0.01 3.13 2.07 -1.56 0.18 116.25 121.15 1x81 h VAL 58 Ca 0.33 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.83 1x81 h VAL 58 Cb 0.10 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 30.07 1x81 h VAL 58 CO -0.15 0.00 -0.09 -0.26 0.02 0.00 0.00 177.57 177.10 1x81 h PHE 59 N -0.74 0.02 0.00 1.57 0.04 -1.33 -3.10 116.94 113.41 1x81 h PHE 59 Ca -0.01 -0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.72 1x81 h PHE 59 Cb 0.69 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.83 1x81 h PHE 59 CO -0.27 0.11 -0.18 0.77 -0.60 0.00 0.00 178.31 178.14 1x81 h SER 60 N 0.02 0.00 0.10 2.17 0.02 0.37 -3.27 113.55 112.96 1x81 h SER 60 Ca 0.00 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.75 1x81 h SER 60 Cb 0.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.71 1x81 h SER 60 CO 0.01 0.18 -0.75 0.77 -1.14 0.00 0.00 176.83 175.90 1x81 h SER 61 N 0.00 0.67 0.00 3.07 4.64 -0.61 -2.44 113.55 118.88 1x81 h SER 61 Ca -0.00 -0.44 -0.06 0.00 -0.47 0.00 0.00 61.79 60.82 1x81 h SER 61 Cb 1.09 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.96 1x81 h SER 61 CO 0.02 1.20 -0.10 -1.22 -0.87 0.00 0.00 176.83 175.86 1x81 n TYR 62 N -3.88 0.00 -2.68 4.77 4.02 -1.23 -2.96 117.16 115.19 1x81 n TYR 62 Ca -0.06 -1.01 -0.08 0.00 -0.01 0.00 0.00 57.90 56.75 1x81 n TYR 62 Cb 0.72 -0.84 0.08 0.00 -0.02 0.00 0.00 39.34 39.28 1x81 n TYR 62 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1x81 n LYS 63 N 1.99 1.19 0.00 -0.72 5.02 -0.92 -4.75 118.16 119.97 1x81 n LYS 63 Ca 0.15 -2.45 0.00 0.00 -2.02 0.00 0.00 58.31 53.99 1x81 n LYS 63 Cb 0.56 -0.57 0.00 0.00 -0.02 0.00 0.00 35.03 35.00 1x81 n LYS 63 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1x81 n PHE 64 N -0.39 0.00 -3.84 2.13 -0.00 -1.16 -5.04 117.46 109.16 1x81 n PHE 64 Ca 0.02 0.00 -0.04 0.00 -0.00 0.00 0.00 57.45 57.43 1x81 n PHE 64 Cb 0.84 0.01 0.01 0.00 -0.00 0.00 0.00 39.48 40.34 1x81 n PHE 64 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.76 175.96 1x81 s ASN 65 N 0.00 -0.04 0.00 -2.13 0.01 -1.26 -5.10 114.94 106.43 1x81 s ASN 65 Ca 0.00 -0.71 0.00 0.00 -0.71 0.00 0.00 52.86 51.44 1x81 s ASN 65 Cb 0.00 0.56 0.00 0.00 0.41 0.00 0.00 41.25 42.22 1x81 s ASN 65 CO 0.00 -1.11 0.00 0.00 -1.51 0.00 0.00 177.10 174.48 1x81 n HIS 66 N -0.62 0.00 -0.07 2.20 1.44 -1.26 -4.79 115.22 112.12 1x81 n HIS 66 Ca -0.05 0.00 -0.06 0.00 -2.01 0.00 0.00 57.72 55.60 1x81 n HIS 66 Cb 0.60 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.67 1x81 n HIS 66 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 1x81 h LEU 67 N 0.00 0.00 0.00 2.39 4.07 -2.01 -3.50 115.31 116.26 1x81 h LEU 67 Ca 0.00 -0.20 0.00 0.00 0.08 0.00 0.00 57.88 57.76 1x81 h LEU 67 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 1x81 h LEU 67 CO 0.00 0.77 0.00 1.33 -1.08 0.00 0.00 178.44 179.46 1x81 n VAL 68 N -4.66 0.00 -1.98 1.22 0.24 -1.26 -5.02 118.33 106.87 1x81 n VAL 68 Ca -0.08 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.80 1x81 n VAL 68 Cb 0.24 -0.04 -0.03 0.00 -1.47 0.00 0.00 33.84 32.54 1x81 n VAL 68 CO 0.00 0.00 0.00 -2.84 -2.14 0.00 0.00 176.83 171.85 1x81 s PRO 69 N 0.71 3.98 -0.00 7.34 0.02 -1.26 -4.87 135.00 140.92 1x81 s PRO 69 Ca 0.00 2.06 0.21 0.00 0.02 0.00 0.00 61.00 63.29 1x81 s PRO 69 Cb 0.00 -4.05 -0.21 0.00 0.02 0.00 0.00 34.50 30.26 1x81 s PRO 69 CO 0.00 -1.09 0.83 2.89 -0.33 0.00 0.00 177.00 179.31 1x81 n ARG 70 N 7.45 0.16 -3.28 5.54 1.85 -1.26 -4.78 116.66 122.35 1x81 n ARG 70 Ca 0.19 -0.04 -0.46 0.00 -1.00 0.00 0.00 57.85 56.54 1x81 n ARG 70 Cb 0.43 -1.51 -0.04 0.00 -1.05 0.00 0.00 32.46 30.29 1x81 n ARG 70 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 1x81 s LEU 71 N -3.39 6.15 -0.07 2.89 1.43 -1.26 -5.04 118.68 119.39 1x81 s LEU 71 Ca 0.04 -1.89 0.03 0.00 -1.03 0.00 0.00 54.13 51.29 1x81 s LEU 71 Cb 0.16 -2.23 -0.02 0.00 0.03 0.00 0.00 46.19 44.13 1x81 s LEU 71 CO 0.87 -0.86 -0.14 -0.69 0.23 0.00 0.00 176.35 175.76 1x81 s VAL 72 N 1.55 3.03 -0.23 -1.59 1.01 -1.26 -1.69 120.40 121.22 1x81 s VAL 72 Ca 0.07 -0.72 -0.19 0.00 0.00 0.00 0.00 61.98 61.14 1x81 s VAL 72 Cb -0.26 -2.20 -0.03 0.00 0.00 0.00 0.00 36.38 33.90 1x81 s VAL 72 CO 0.01 0.58 0.57 -0.22 0.00 0.00 0.00 175.10 176.04 1x81 s LEU 73 N -0.49 4.10 0.00 3.92 2.96 -1.26 -4.96 118.68 122.95 1x81 s LEU 73 Ca 0.06 0.68 -0.02 0.00 -0.22 0.00 0.00 54.13 54.63 1x81 s LEU 73 Cb -0.12 -2.77 -0.09 0.00 0.50 0.00 0.00 46.19 43.71 1x81 s LEU 73 CO 0.02 -0.27 1.57 0.00 -1.32 0.00 0.00 176.35 176.34 1x81 n GLN 74 N 5.25 0.70 -0.08 1.98 1.13 -1.26 -4.78 117.38 120.33 1x81 n GLN 74 Ca -0.03 -0.34 -0.00 0.00 -1.94 0.00 0.00 57.00 54.69 1x81 n GLN 74 Cb 0.50 -1.65 0.00 0.00 0.11 0.00 0.00 30.24 29.20 1x81 n GLN 74 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1x81 n ARG 75 N 2.75 -0.05 0.04 -1.09 5.12 -1.26 -0.67 116.66 121.50 1x81 n ARG 75 Ca 0.14 0.30 -0.12 0.00 -1.93 0.00 0.00 57.85 56.25 1x81 n ARG 75 Cb 0.32 -0.44 -0.08 0.00 -1.16 0.00 0.00 32.46 31.10 1x81 n ARG 75 CO 0.00 0.00 0.00 1.49 -1.93 0.00 0.00 177.63 177.19 1x81 h GLU 76 N 0.00 -0.17 -0.43 5.56 4.57 -1.98 -0.89 114.58 121.23 1x81 h GLU 76 Ca 0.06 0.01 0.08 0.00 -1.18 0.00 0.00 59.36 58.33 1x81 h GLU 76 Cb 0.11 0.04 -0.07 0.00 -0.16 0.00 0.00 28.75 28.67 1x81 h GLU 76 CO -0.19 0.29 0.03 0.87 -1.18 0.00 0.00 179.01 178.83 1x81 h LYS 77 N -0.78 0.14 0.00 1.92 1.79 -1.22 0.22 116.57 118.63 1x81 h LYS 77 Ca -0.02 -0.01 -0.03 0.00 -2.18 0.00 0.00 60.65 58.42 1x81 h LYS 77 Cb 0.54 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.16 1x81 h LYS 77 CO 0.03 0.09 -0.12 0.45 -1.08 0.00 0.00 179.45 178.82 1x81 h HIS 78 N 0.14 0.00 -0.09 -1.35 3.86 -0.97 -2.93 115.15 113.81 1x81 h HIS 78 Ca 0.21 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.31 1x81 h HIS 78 Cb 0.30 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.77 1x81 h HIS 78 CO -0.26 0.12 -0.38 0.35 0.86 0.00 0.00 177.93 178.62 1x81 h PHE 79 N 0.00 0.57 -0.02 2.45 3.57 0.86 -2.58 116.94 121.79 1x81 h PHE 79 Ca -0.00 -0.24 0.02 0.00 3.53 0.00 0.00 57.97 61.28 1x81 h PHE 79 Cb 0.30 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.93 1x81 h PHE 79 CO 0.00 0.99 -0.10 0.45 -2.23 0.00 0.00 178.31 177.42 1x81 h HIS 80 N -0.02 -0.26 -0.70 0.41 -0.00 -1.00 0.22 115.15 113.80 1x81 h HIS 80 Ca -0.02 0.01 0.06 0.00 -0.00 0.00 0.00 60.37 60.42 1x81 h HIS 80 Cb 1.02 0.12 -0.09 0.00 -0.00 0.00 0.00 27.41 28.47 1x81 h HIS 80 CO 0.12 -0.16 -0.46 -0.92 -0.00 0.00 0.00 177.93 176.51 1x81 h TYR 81 N -0.17 -1.48 0.09 2.45 3.20 -1.56 0.11 116.97 119.62 1x81 h TYR 81 Ca 0.05 0.10 -0.00 0.00 3.14 0.00 0.00 58.73 62.01 1x81 h TYR 81 Cb 0.23 0.74 0.00 0.00 1.54 0.00 0.00 36.73 39.24 1x81 h TYR 81 CO -0.18 -0.31 -0.04 -0.07 -1.64 0.00 0.00 178.16 175.92 1x81 h LEU 82 N -0.06 -0.10 -0.38 2.82 3.38 -1.19 -2.07 115.31 117.71 1x81 h LEU 82 Ca 0.11 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.18 1x81 h LEU 82 Cb 0.35 0.03 -0.07 0.00 0.09 0.00 0.00 40.66 41.06 1x81 h LEU 82 CO -0.69 -0.07 -0.04 1.17 0.09 0.00 0.00 178.44 178.90 1x81 n LYS 83 N -2.32 -0.03 -0.04 1.13 4.81 0.77 -1.46 118.16 121.01 1x81 n LYS 83 Ca -0.01 0.58 -0.07 0.00 -0.87 0.00 0.00 58.31 57.94 1x81 n LYS 83 Cb 0.05 -0.90 -0.06 0.00 0.02 0.00 0.00 35.03 34.14 1x81 n LYS 83 CO 0.00 0.00 0.00 -0.09 1.17 0.00 0.00 177.40 178.48 1x81 h ARG 84 N 0.00 -0.04 -0.44 1.64 2.43 -0.71 -3.32 114.38 113.94 1x81 h ARG 84 Ca 0.21 0.00 0.13 0.00 -0.81 0.00 0.00 59.98 59.51 1x81 h ARG 84 Cb 0.39 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.93 1x81 h ARG 84 CO -0.37 0.39 0.54 0.78 -1.51 0.00 0.00 179.97 179.79 1x81 h GLY 85 N -0.99 0.00 2.00 2.80 0.00 -0.51 0.30 103.07 106.67 1x81 h GLY 85 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1x81 h GLY 85 CO 0.01 0.00 0.00 -2.00 0.00 0.00 0.00 176.54 174.55 1x81 h LEU 86 N 0.00 0.00 0.00 3.11 5.85 -1.52 -3.09 115.31 119.66 1x81 h LEU 86 Ca 0.21 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.87 1x81 h LEU 86 Cb 1.29 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.30 1x81 h LEU 86 CO -0.00 0.00 -1.46 -1.14 -0.34 0.00 0.00 178.44 175.50 1x81 n ARG 87 N -2.75 1.31 -3.64 1.25 3.00 0.10 -5.04 116.66 110.88 1x81 n ARG 87 Ca 0.00 -0.05 -0.07 0.00 -0.00 0.00 0.00 57.85 57.74 1x81 n ARG 87 Cb 0.21 -1.20 -0.07 0.00 0.00 0.00 0.00 32.46 31.40 1x81 n ARG 87 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.63 176.49 1x81 s GLN 88 N -2.42 0.43 0.13 -0.14 0.74 -0.84 -5.16 119.66 112.40 1x81 s GLN 88 Ca -0.03 0.58 0.10 0.00 0.05 0.00 0.00 55.36 56.05 1x81 s GLN 88 Cb 0.04 0.18 -0.04 0.00 1.10 0.00 0.00 33.01 34.29 1x81 s GLN 88 CO 0.34 -0.06 -0.22 -0.51 -0.55 0.00 0.00 175.29 174.29 1x81 s LEU 89 N 0.55 2.51 0.00 3.68 1.43 -1.26 -3.91 118.68 121.68 1x81 s LEU 89 Ca -0.00 -0.67 -0.21 0.00 -1.03 0.00 0.00 54.13 52.23 1x81 s LEU 89 Cb -0.05 -1.37 0.32 0.00 0.03 0.00 0.00 46.19 45.12 1x81 s LEU 89 CO -0.10 0.17 0.82 0.35 0.23 0.00 0.00 176.35 177.83 1x81 n THR 90 N 0.81 0.00 1.81 5.49 -2.24 -1.26 -4.85 114.28 114.03 1x81 n THR 90 Ca -0.16 -0.12 0.16 0.00 -2.27 0.00 0.00 64.05 61.65 1x81 n THR 90 Cb 0.53 -0.97 0.89 0.00 -2.10 0.00 0.00 70.33 68.68 1x81 n THR 90 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1x81 n ASP 91 N -5.28 0.00 0.12 3.42 5.75 -1.26 -3.79 116.55 115.51 1x81 n ASP 91 Ca 0.13 -0.72 -0.05 0.00 -0.01 0.00 0.00 54.79 54.14 1x81 n ASP 91 Cb 0.53 -0.09 -0.02 0.00 -1.03 0.00 0.00 41.12 40.50 1x81 n ASP 91 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1x81 h ALA 92 N 3.81 -0.97 0.00 2.12 0.00 -2.05 -3.27 119.26 118.90 1x81 h ALA 92 Ca 0.00 -0.07 -0.27 0.00 0.00 0.00 0.00 54.91 54.57 1x81 h ALA 92 Cb 0.09 0.12 0.04 0.00 0.00 0.00 0.00 17.79 18.04 1x81 h ALA 92 CO 0.00 -0.94 1.63 0.66 0.00 0.00 0.00 179.25 180.60 1x81 n TYR 93 N -2.92 0.56 0.12 0.00 4.02 -1.25 -3.94 117.16 113.75 1x81 n TYR 93 Ca -0.04 -1.03 0.07 0.00 -0.01 0.00 0.00 57.90 56.90 1x81 n TYR 93 Cb 0.12 -1.03 -0.11 0.00 -0.02 0.00 0.00 39.34 38.31 1x81 n TYR 93 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 1x81 n GLU 94 N 5.51 0.78 0.00 -0.72 2.13 -1.23 -4.05 120.64 123.06 1x81 n GLU 94 Ca 0.25 -0.11 0.13 0.00 0.66 0.00 0.00 57.16 58.09 1x81 n GLU 94 Cb 0.15 -1.32 0.43 0.00 0.27 0.00 0.00 31.44 30.97 1x81 n GLU 94 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1x81 n LEU 96 N -0.91 3.23 -0.27 0.00 4.77 -1.26 -4.36 117.00 118.21 1x81 n LEU 96 Ca 0.12 -1.56 0.24 0.00 -0.03 0.00 0.00 56.01 54.77 1x81 n LEU 96 Cb 0.33 -0.36 0.56 0.00 -2.33 0.00 0.00 43.42 41.62 1x81 n LEU 96 CO 0.27 0.78 1.24 -0.78 -1.33 0.00 0.00 177.39 177.56 1x81 h ASP 97 N 3.69 0.32 -1.29 -1.43 3.58 -1.62 -0.37 116.42 119.30 1x81 h ASP 97 Ca 0.00 0.05 -0.63 0.00 0.42 0.00 0.00 57.03 56.87 1x81 h ASP 97 Cb 0.84 -0.01 -0.37 0.00 1.72 0.00 0.00 39.33 41.51 1x81 h ASP 97 CO 0.00 0.09 -0.14 0.00 -2.88 0.00 0.00 179.24 176.32 1x81 n ALA 98 N -2.55 5.55 -1.89 -0.78 0.00 -1.26 -4.46 120.51 115.11 1x81 n ALA 98 Ca 0.22 -3.98 -0.05 0.00 0.00 0.00 0.00 53.44 49.63 1x81 n ALA 98 Cb 0.86 -0.96 -0.05 0.00 0.00 0.00 0.00 19.45 19.30 1x81 n ALA 98 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1x81 n SER 99 N -0.64 -0.74 -0.15 0.00 7.64 -0.16 -4.50 113.62 115.08 1x81 n SER 99 Ca 0.47 -1.54 -0.00 0.00 1.01 0.00 0.00 58.87 58.82 1x81 n SER 99 Cb 0.67 0.22 0.25 0.00 -1.01 0.00 0.00 64.21 64.34 1x81 n SER 99 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1x81 h ARG 100 N 0.00 0.86 -0.89 1.43 3.08 -0.67 -2.82 114.38 115.37 1x81 h ARG 100 Ca -0.42 -0.09 0.20 0.00 0.07 0.00 0.00 59.98 59.74 1x81 h ARG 100 Cb 1.19 -0.17 -0.12 0.00 0.08 0.00 0.00 29.97 30.95 1x81 h ARG 100 CO -0.21 0.64 0.41 -1.35 -1.07 0.00 0.00 179.97 178.39 1x81 h PRO 101 N 0.87 0.44 -0.49 0.04 0.11 -1.83 0.75 132.00 131.89 1x81 h PRO 101 Ca 0.22 -0.03 0.10 0.00 0.11 0.00 0.00 66.00 66.40 1x81 h PRO 101 Cb 0.04 -0.10 -0.08 0.00 0.11 0.00 0.00 31.00 30.97 1x81 h PRO 101 CO -0.03 0.29 -0.03 -1.49 -0.21 0.00 0.00 178.00 176.53 1x81 h TRP 102 N 0.45 -0.09 -0.71 0.65 4.06 -1.82 0.76 115.95 119.26 1x81 h TRP 102 Ca 0.54 0.04 0.21 0.00 2.06 0.00 0.00 58.89 61.73 1x81 h TRP 102 Cb 0.98 0.11 -0.03 0.00 -1.00 0.00 0.00 29.16 29.22 1x81 h TRP 102 CO -0.12 -0.14 0.51 -0.07 -3.56 0.00 0.00 178.44 175.06 1x81 h LEU 103 N 0.08 0.00 0.07 -4.49 3.38 0.42 0.33 115.31 115.11 1x81 h LEU 103 Ca 0.24 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.94 1x81 h LEU 103 Cb 0.37 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.14 1x81 h LEU 103 CO -0.43 0.00 -1.21 0.00 0.09 0.00 0.00 178.44 176.89 1x81 h TYR 105 N 0.16 -0.33 -0.90 0.00 3.20 0.14 -2.17 116.97 117.07 1x81 h TYR 105 Ca -0.15 -0.01 0.20 0.00 3.14 0.00 0.00 58.73 61.91 1x81 h TYR 105 Cb 1.90 0.11 -0.11 0.00 1.54 0.00 0.00 36.73 40.17 1x81 h TYR 105 CO 0.08 -0.03 0.45 -1.49 -1.64 0.00 0.00 178.16 175.53 1x81 h TRP 106 N -1.00 0.77 -0.03 -3.82 6.55 -0.69 0.21 115.95 117.95 1x81 h TRP 106 Ca -0.04 0.04 -0.06 0.00 0.95 0.00 0.00 58.89 59.78 1x81 h TRP 106 Cb 0.45 -0.20 0.00 0.00 -0.86 0.00 0.00 29.16 28.56 1x81 h TRP 106 CO 0.04 0.06 -0.21 0.82 -1.05 0.00 0.00 178.44 178.11 1x81 h ILE 107 N 0.52 1.50 0.00 1.49 2.04 -1.64 -0.35 117.51 121.07 1x81 h ILE 107 Ca 0.54 -1.76 -0.06 0.00 1.00 0.00 0.00 64.86 64.57 1x81 h ILE 107 Cb 0.94 2.56 -0.01 0.00 -0.74 0.00 0.00 36.82 39.57 1x81 h ILE 107 CO -0.46 0.49 -0.30 -0.07 0.00 0.00 0.00 178.15 177.81 1x81 h LEU 108 N -0.42 0.00 0.08 1.44 3.38 -0.73 0.35 115.31 119.41 1x81 h LEU 108 Ca -0.02 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.70 1x81 h LEU 108 Cb 0.90 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 1x81 h LEU 108 CO 0.04 0.30 -1.16 -0.74 0.09 0.00 0.00 178.44 176.98 1x81 h HIS 109 N 0.00 0.30 -0.11 1.13 2.76 -0.64 -2.04 115.15 116.56 1x81 h HIS 109 Ca -0.00 -0.22 -0.16 0.00 -2.20 0.00 0.00 60.37 57.78 1x81 h HIS 109 Cb 0.54 -0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.48 1x81 h HIS 109 CO 0.00 1.18 -0.63 0.77 -1.30 0.00 0.00 177.93 177.94 1x81 h SER 110 N 0.05 0.45 -0.43 3.26 0.02 -0.57 -0.77 113.55 115.56 1x81 h SER 110 Ca -0.09 -0.27 -0.14 0.00 -0.84 0.00 0.00 61.79 60.45 1x81 h SER 110 Cb 1.90 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 64.30 1x81 h SER 110 CO 0.17 0.97 -0.29 -0.07 -1.14 0.00 0.00 176.83 176.47 1x81 h LEU 111 N 0.29 1.00 0.59 5.07 3.38 -0.99 -1.32 115.31 123.32 1x81 h LEU 111 Ca -0.01 -0.43 -0.02 0.00 0.09 0.00 0.00 57.88 57.50 1x81 h LEU 111 Cb 1.17 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 1x81 h LEU 111 CO 0.11 1.21 -0.40 -0.08 0.09 0.00 0.00 178.44 179.37 1x81 h GLU 112 N 0.78 -0.91 0.11 1.13 4.81 -1.21 0.13 114.58 119.43 1x81 h GLU 112 Ca 0.08 0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.39 1x81 h GLU 112 Cb 0.88 0.21 -0.04 0.00 0.63 0.00 0.00 28.75 30.42 1x81 h GLU 112 CO 0.08 -0.61 -0.49 -0.07 -0.73 0.00 0.00 179.01 177.20 1x81 h LEU 113 N -0.94 -1.46 -0.66 1.64 3.38 -1.15 0.96 115.31 117.08 1x81 h LEU 113 Ca -0.08 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1x81 h LEU 113 Cb 0.77 0.54 0.00 0.00 0.09 0.00 0.00 40.66 42.06 1x81 h LEU 113 CO 0.05 -0.51 0.19 0.18 0.09 0.00 0.00 178.44 178.44 1x81 n LEU 114 N -5.21 0.26 -2.03 1.67 4.77 -0.50 -2.48 117.00 113.47 1x81 n LEU 114 Ca -0.08 0.52 -0.06 0.00 -0.03 0.00 0.00 56.01 56.37 1x81 n LEU 114 Cb 0.38 -0.51 0.03 0.00 -2.33 0.00 0.00 43.42 40.99 1x81 n LEU 114 CO 0.14 -0.61 0.02 -0.67 -1.33 0.00 0.00 177.39 174.95 1x81 n ASP 115 N -1.83 -3.00 -4.19 -1.43 -0.08 0.33 -4.97 116.55 101.38 1x81 n ASP 115 Ca -0.01 -0.24 -0.33 0.00 -1.51 0.00 0.00 54.79 52.70 1x81 n ASP 115 Cb 0.20 -2.20 -0.16 0.00 2.34 0.00 0.00 41.12 41.30 1x81 n ASP 115 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 1x81 s GLU 116 N -3.91 3.06 0.69 -0.67 0.41 0.09 -5.02 118.70 113.35 1x81 s GLU 116 Ca 0.10 -0.84 -0.14 0.00 -0.41 0.00 0.00 54.97 53.68 1x81 s GLU 116 Cb -0.01 -2.46 0.02 0.00 -1.78 0.00 0.00 34.13 29.89 1x81 s GLU 116 CO 0.27 -0.00 1.11 -1.25 -0.49 0.00 0.00 175.26 174.90 1x81 s PRO 117 N 0.80 2.63 -0.28 0.39 0.04 -1.26 -4.46 135.00 132.85 1x81 s PRO 117 Ca -0.07 1.38 -0.11 0.00 0.04 0.00 0.00 61.00 62.24 1x81 s PRO 117 Cb -0.16 -1.93 -0.05 0.00 0.04 0.00 0.00 34.50 32.41 1x81 s PRO 117 CO -0.01 -1.38 0.19 0.42 0.04 0.00 0.00 177.00 176.25 1x81 s ILE 118 N -2.42 5.27 -0.07 0.56 1.09 -1.26 -5.02 121.20 119.35 1x81 s ILE 118 Ca 0.66 0.13 -0.37 0.00 -1.10 0.00 0.00 60.65 59.98 1x81 s ILE 118 Cb -0.20 -3.52 -0.15 0.00 -1.06 0.00 0.00 42.46 37.52 1x81 s ILE 118 CO 0.45 0.24 1.62 -2.65 -0.10 0.00 0.00 174.94 174.50 1x81 n PRO 119 N 5.06 1.49 0.22 2.79 -0.02 -1.26 -4.71 135.00 138.57 1x81 n PRO 119 Ca -0.14 0.54 0.06 0.00 -2.02 0.00 0.00 63.50 61.94 1x81 n PRO 119 Cb 0.52 -2.26 0.32 0.00 -0.02 0.00 0.00 33.50 32.06 1x81 n PRO 119 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 1x81 h GLN 120 N 6.60 0.00 0.02 -0.52 4.20 -2.00 0.73 115.11 124.13 1x81 h GLN 120 Ca -0.47 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.24 1x81 h GLN 120 Cb 1.31 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.09 1x81 h GLN 120 CO 0.89 0.00 -0.01 0.82 -0.67 0.00 0.00 178.83 179.86 1x81 h ILE 121 N 0.00 1.37 -1.00 2.54 2.04 -2.01 -3.24 117.51 117.20 1x81 h ILE 121 Ca 0.00 -1.87 0.19 0.00 1.00 0.00 0.00 64.86 64.18 1x81 h ILE 121 Cb 1.00 2.51 -0.11 0.00 -0.74 0.00 0.00 36.82 39.49 1x81 h ILE 121 CO 0.00 0.44 0.60 0.58 0.00 0.00 0.00 178.15 179.77 1x81 h VAL 122 N -0.93 0.70 0.38 1.67 2.07 0.13 -1.46 116.25 118.80 1x81 h VAL 122 Ca -0.00 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 1x81 h VAL 122 Cb 0.74 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 1x81 h VAL 122 CO 0.00 0.14 -0.26 0.00 0.02 0.00 0.00 177.57 177.47 1x81 h ALA 123 N 1.65 -0.63 -0.70 1.67 0.00 -1.50 0.90 119.26 120.65 1x81 h ALA 123 Ca 0.58 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.43 1x81 h ALA 123 Cb 0.90 0.33 -0.06 0.00 0.00 0.00 0.00 17.79 18.97 1x81 h ALA 123 CO -0.39 -0.87 0.40 1.15 0.00 0.00 0.00 179.25 179.54 1x81 h THR 124 N -0.63 0.99 -0.64 0.00 2.02 -1.33 0.72 112.91 114.04 1x81 h THR 124 Ca -0.04 -0.25 0.08 0.00 0.77 0.00 0.00 66.41 66.97 1x81 h THR 124 Cb 0.53 0.18 -0.06 0.00 -1.74 0.00 0.00 68.15 67.06 1x81 h THR 124 CO 0.02 0.13 0.30 0.44 0.37 0.00 0.00 175.52 176.79 1x81 h ASP 125 N 0.74 0.39 -0.38 4.18 3.32 -1.06 0.43 116.42 124.04 1x81 h ASP 125 Ca 0.31 0.06 -0.10 0.00 0.02 0.00 0.00 57.03 57.31 1x81 h ASP 125 Cb 0.17 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 1x81 h ASP 125 CO -0.18 0.24 -0.15 0.58 -1.72 0.00 0.00 179.24 178.01 1x81 h VAL 126 N 0.54 1.28 -0.60 -1.35 2.07 0.15 -1.64 116.25 116.70 1x81 h VAL 126 Ca 0.31 -1.27 -0.01 0.00 0.82 0.00 0.00 66.70 66.54 1x81 h VAL 126 Cb 0.30 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.34 1x81 h VAL 126 CO -0.25 0.42 0.32 0.00 0.02 0.00 0.00 177.57 178.08 1x81 h GLN 128 N 0.84 0.34 0.46 0.00 4.20 0.30 -2.66 115.11 118.58 1x81 h GLN 128 Ca 0.21 -0.13 -0.02 0.00 0.06 0.00 0.00 58.65 58.77 1x81 h GLN 128 Cb 0.04 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.80 1x81 h GLN 128 CO -0.03 0.61 -0.22 0.35 -0.67 0.00 0.00 178.83 178.86 1x81 h PHE 129 N 0.30 -0.58 -0.95 2.96 3.57 -0.42 -3.12 116.94 118.70 1x81 h PHE 129 Ca 0.04 -0.01 0.25 0.00 3.53 0.00 0.00 57.97 61.78 1x81 h PHE 129 Cb 0.68 0.19 -0.06 0.00 2.79 0.00 0.00 35.95 39.55 1x81 h PHE 129 CO 0.02 -0.28 0.66 -0.07 -2.23 0.00 0.00 178.31 176.40 1x81 h LEU 130 N -1.07 0.21 -0.82 0.59 3.38 -1.52 0.20 115.31 116.27 1x81 h LEU 130 Ca -0.06 0.03 0.10 0.00 0.09 0.00 0.00 57.88 58.03 1x81 h LEU 130 Cb 0.56 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.22 1x81 h LEU 130 CO 0.10 0.07 0.46 -0.08 0.09 0.00 0.00 178.44 179.08 1x81 h GLU 131 N 0.20 0.74 0.00 1.13 4.57 -1.41 -1.42 114.58 118.39 1x81 h GLU 131 Ca 0.49 -0.04 -0.10 0.00 -1.18 0.00 0.00 59.36 58.52 1x81 h GLU 131 Cb 1.56 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 29.97 1x81 h GLU 131 CO -0.11 0.49 -0.46 -0.07 -1.18 0.00 0.00 179.01 177.67 1x81 h LEU 132 N 0.76 0.00 0.06 1.64 3.38 -0.59 -3.23 115.31 117.33 1x81 h LEU 132 Ca 0.40 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.23 1x81 h LEU 132 Cb 0.39 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.16 1x81 h LEU 132 CO -0.26 0.46 -0.58 0.00 0.09 0.00 0.00 178.44 178.15 1x81 n GLN 134 N -4.26 0.20 -2.40 0.00 7.27 -0.62 -3.42 117.38 114.15 1x81 n GLN 134 Ca -0.12 0.07 -0.40 0.00 0.07 0.00 0.00 57.00 56.62 1x81 n GLN 134 Cb 0.69 -1.61 -0.04 0.00 2.41 0.00 0.00 30.24 31.70 1x81 n GLN 134 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 1x81 s SER 135 N 3.12 7.15 0.00 1.69 0.15 -0.28 -4.89 113.70 120.64 1x81 s SER 135 Ca 1.04 2.36 0.00 0.00 0.70 0.00 0.00 55.95 60.05 1x81 s SER 135 Cb -1.43 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 60.25 1x81 s SER 135 CO 0.79 -0.23 0.24 -0.81 1.20 0.00 0.00 173.24 174.43 1x81 n PRO 136 N 1.08 0.24 -0.16 5.44 -0.04 -1.26 -0.21 135.00 140.10 1x81 n PRO 136 Ca -0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 1x81 n PRO 136 Cb 0.44 -1.00 0.00 0.00 -0.04 0.00 0.00 33.50 32.90 1x81 n PRO 136 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1x81 n ASP 137 N -0.49 0.13 0.00 3.54 8.00 -1.26 -5.06 116.55 121.40 1x81 n ASP 137 Ca 0.00 -1.40 0.00 0.00 0.71 0.00 0.00 54.79 54.10 1x81 n ASP 137 Cb 0.00 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.03 1x81 n ASP 137 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1x81 n GLY 138 N -0.05 2.24 0.31 0.44 0.00 0.71 -3.92 105.19 104.91 1x81 n GLY 138 Ca 0.00 -1.85 0.04 0.00 0.00 0.00 0.00 46.02 44.22 1x81 n GLY 138 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x81 n GLY 139 N 1.97 -2.28 3.50 -0.02 0.00 -1.26 -4.25 105.19 102.84 1x81 n GLY 139 Ca 0.00 -1.40 -0.29 0.00 0.00 0.00 0.00 46.02 44.33 1x81 n GLY 139 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1x81 s PHE 140 N -2.54 2.53 0.53 1.61 0.40 -1.26 -1.12 117.98 118.12 1x81 s PHE 140 Ca 0.00 -0.27 0.08 0.00 -0.60 0.00 0.00 56.93 56.14 1x81 s PHE 140 Cb 0.00 -1.31 0.06 0.00 0.51 0.00 0.00 43.02 42.28 1x81 s PHE 140 CO 0.00 0.42 0.72 0.20 0.70 0.00 0.00 175.22 177.26 1x81 s GLY 141 N -2.33 1.81 0.57 4.36 0.00 -1.22 -1.78 107.32 108.74 1x81 s GLY 141 Ca 0.19 -1.92 0.29 0.00 0.00 0.00 0.00 44.72 43.28 1x81 s GLY 141 CO 0.11 -1.56 2.21 -1.33 0.00 0.00 0.00 173.10 172.52 1x81 h GLY 142 N 0.30 0.00 -0.35 0.20 0.00 -1.79 -3.43 103.07 98.01 1x81 h GLY 142 Ca -0.34 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.03 1x81 h GLY 142 CO 0.43 0.00 0.15 0.61 0.00 0.00 0.00 176.54 177.73 1x81 n GLY 143 N -1.13 1.06 3.71 4.60 0.00 -1.26 -0.47 105.19 111.70 1x81 n GLY 143 Ca -0.03 -0.96 -0.42 0.00 0.00 0.00 0.00 46.02 44.61 1x81 n GLY 143 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1x81 s PRO 144 N -2.01 4.13 -0.35 1.61 0.02 -1.26 -3.17 135.00 133.97 1x81 s PRO 144 Ca 0.06 2.59 -0.01 0.00 0.02 0.00 0.00 61.00 63.66 1x81 s PRO 144 Cb -0.01 -3.25 0.00 0.00 0.02 0.00 0.00 34.50 31.26 1x81 s PRO 144 CO 0.01 -0.78 0.19 0.41 -0.33 0.00 0.00 177.00 176.51 1x81 n GLY 145 N 4.06 0.47 3.25 0.52 0.00 -1.24 -4.98 105.19 107.27 1x81 n GLY 145 Ca 0.16 -0.53 -0.23 0.00 0.00 0.00 0.00 46.02 45.43 1x81 n GLY 145 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1x81 s GLN 146 N -4.98 1.08 0.55 1.61 -0.21 -1.19 -5.08 119.66 111.44 1x81 s GLN 146 Ca 0.10 -1.08 -0.21 0.00 0.02 0.00 0.00 55.36 54.18 1x81 s GLN 146 Cb -0.04 -1.27 -0.05 0.00 1.00 0.00 0.00 33.01 32.65 1x81 s GLN 146 CO 0.12 0.30 1.31 0.66 -2.12 0.00 0.00 175.29 175.55 1x81 n TYR 147 N 1.24 2.10 -2.01 0.91 4.01 -1.26 -4.23 117.16 117.93 1x81 n TYR 147 Ca -0.20 0.44 -0.40 0.00 -0.16 0.00 0.00 57.90 57.58 1x81 n TYR 147 Cb 0.54 -2.33 -0.01 0.00 -0.31 0.00 0.00 39.34 37.23 1x81 n TYR 147 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1x81 s PRO 148 N -2.86 4.12 0.04 -0.72 0.04 -1.26 -4.22 135.00 130.14 1x81 s PRO 148 Ca 0.72 2.28 -0.11 0.00 0.04 0.00 0.00 61.00 63.93 1x81 s PRO 148 Cb -0.42 -2.91 0.01 0.00 0.04 0.00 0.00 34.50 31.22 1x81 s PRO 148 CO 0.49 -0.41 0.23 -1.58 0.04 0.00 0.00 177.00 175.77 1x81 s HIS 149 N -1.18 -0.00 -0.66 0.56 2.46 -0.73 -4.44 115.29 111.29 1x81 s HIS 149 Ca 0.53 -0.18 0.25 0.00 0.47 0.00 0.00 55.06 56.14 1x81 s HIS 149 Cb -0.41 0.01 0.70 0.00 -0.13 0.00 0.00 32.58 32.75 1x81 s HIS 149 CO 0.54 -0.45 1.73 -0.07 -2.47 0.00 0.00 174.74 174.02 1x81 h LEU 150 N 3.41 0.00 0.40 8.88 3.38 -1.59 -3.06 115.31 126.72 1x81 h LEU 150 Ca -0.32 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.63 1x81 h LEU 150 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1x81 h LEU 150 CO 0.47 0.00 -0.19 0.00 0.09 0.00 0.00 178.44 178.81 1x81 h ALA 151 N 2.40 -0.54 0.00 1.53 0.00 -1.91 -2.17 119.26 118.57 1x81 h ALA 151 Ca 0.00 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1x81 h ALA 151 Cb 0.80 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 1x81 h ALA 151 CO 0.00 -0.56 -0.01 -1.00 0.00 0.00 0.00 179.25 177.68 1x81 h PRO 152 N -1.01 0.00 0.01 0.00 0.13 -1.82 -2.47 132.00 126.83 1x81 h PRO 152 Ca -0.05 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.86 1x81 h PRO 152 Cb 0.53 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.66 1x81 h PRO 152 CO 0.09 0.01 -0.93 1.15 -0.23 0.00 0.00 178.00 178.09 1x81 h THR 153 N 0.00 1.44 0.00 1.56 2.02 -1.46 0.17 112.91 116.63 1x81 h THR 153 Ca -0.00 -2.54 -0.16 0.00 0.77 0.00 0.00 66.41 64.49 1x81 h THR 153 Cb 0.26 2.46 -0.02 0.00 -1.74 0.00 0.00 68.15 69.11 1x81 h THR 153 CO 0.00 0.75 -0.74 0.22 0.37 0.00 0.00 175.52 176.12 1x81 h TYR 154 N 0.18 0.00 -0.02 3.16 3.20 -1.11 -2.73 116.97 119.66 1x81 h TYR 154 Ca -0.07 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.79 1x81 h TYR 154 Cb 1.57 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.84 1x81 h TYR 154 CO 0.05 0.74 -0.03 0.00 -1.64 0.00 0.00 178.16 177.28 1x81 h ALA 155 N 1.26 0.02 0.18 1.82 0.00 -1.27 -1.24 119.26 120.03 1x81 h ALA 155 Ca -0.01 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1x81 h ALA 155 Cb 1.32 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 1x81 h ALA 155 CO 0.10 -0.17 -0.15 0.00 0.00 0.00 0.00 179.25 179.03 1x81 h ALA 156 N 0.44 -0.92 -0.96 0.00 0.00 -0.71 0.58 119.26 117.70 1x81 h ALA 156 Ca 0.00 -0.06 0.24 0.00 0.00 0.00 0.00 54.91 55.09 1x81 h ALA 156 Cb 0.60 0.34 -0.12 0.00 0.00 0.00 0.00 17.79 18.61 1x81 h ALA 156 CO 0.01 -0.92 0.52 0.28 0.00 0.00 0.00 179.25 179.14 1x81 h VAL 157 N -0.32 0.51 -0.01 0.00 2.07 -1.60 0.64 116.25 117.53 1x81 h VAL 157 Ca -0.02 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 1x81 h VAL 157 Cb 0.27 -0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 29.99 1x81 h VAL 157 CO -0.00 0.09 0.00 0.78 0.02 0.00 0.00 177.57 178.46 1x81 h ASN 158 N 0.51 0.02 -0.45 0.57 4.21 -0.88 -1.07 115.58 118.49 1x81 h ASN 158 Ca 0.62 -0.28 -0.02 0.00 1.21 0.00 0.00 56.30 57.83 1x81 h ASN 158 Cb 1.18 -0.01 -0.02 0.00 -1.12 0.00 0.00 38.32 38.35 1x81 h ASN 158 CO -0.50 0.29 0.23 0.00 -1.29 0.00 0.00 177.43 176.16 1x81 h ALA 159 N 0.73 1.48 -0.04 -0.83 0.00 0.31 -1.35 119.26 119.56 1x81 h ALA 159 Ca 0.00 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.66 1x81 h ALA 159 Cb 0.28 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1x81 h ALA 159 CO 0.00 0.41 -0.62 -0.07 0.00 0.00 0.00 179.25 178.97 1x81 h LEU 160 N 0.69 0.15 -0.38 0.00 3.38 0.22 -2.86 115.31 116.51 1x81 h LEU 160 Ca 0.17 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1x81 h LEU 160 Cb 0.09 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1x81 h LEU 160 CO -0.02 0.73 -0.04 0.00 0.09 0.00 0.00 178.44 179.20 1x81 h ILE 162 N 0.00 1.36 0.00 0.00 2.04 -1.10 -3.04 117.51 116.78 1x81 h ILE 162 Ca -0.00 -1.30 -0.02 0.00 1.00 0.00 0.00 64.86 64.54 1x81 h ILE 162 Cb 0.90 1.97 -0.00 0.00 -0.74 0.00 0.00 36.82 38.95 1x81 h ILE 162 CO 0.01 0.37 -0.08 0.40 0.00 0.00 0.00 178.15 178.85 1x81 h ILE 163 N -0.13 1.05 -5.99 -0.67 2.04 -1.37 -3.47 117.51 108.98 1x81 h ILE 163 Ca 0.02 -0.26 -0.35 0.00 1.00 0.00 0.00 64.86 65.26 1x81 h ILE 163 Cb 0.65 1.14 -0.22 0.00 -0.74 0.00 0.00 36.82 37.66 1x81 h ILE 163 CO 0.03 0.07 -0.51 0.61 0.00 0.00 0.00 178.15 178.36 1x81 n GLY 164 N -1.32 -0.40 3.78 5.37 0.00 -0.90 -4.95 105.19 106.77 1x81 n GLY 164 Ca -0.03 0.04 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 1x81 n GLY 164 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x81 s THR 165 N -2.57 4.38 -0.14 2.61 -4.23 -1.26 -4.97 115.64 109.46 1x81 s THR 165 Ca 0.47 -1.14 0.26 0.00 -1.18 0.00 0.00 61.69 60.11 1x81 s THR 165 Cb -0.27 -3.24 0.27 0.00 1.34 0.00 0.00 72.50 70.60 1x81 s THR 165 CO 0.57 -0.12 1.80 -0.08 -0.54 0.00 0.00 174.62 176.26 1x81 h GLU 166 N 2.42 0.00 -0.21 3.99 4.81 -1.98 0.60 114.58 124.20 1x81 h GLU 166 Ca -0.48 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 58.67 1x81 h GLU 166 Cb 1.20 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.58 1x81 h GLU 166 CO 0.62 0.00 -0.20 1.49 -0.73 0.00 0.00 179.01 180.19 1x81 h GLU 167 N 0.00 0.52 0.27 1.92 4.81 -1.98 -2.16 114.58 117.95 1x81 h GLU 167 Ca 0.00 -0.27 -0.01 0.00 -0.13 0.00 0.00 59.36 58.95 1x81 h GLU 167 Cb 0.16 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.55 1x81 h GLU 167 CO 0.00 0.85 -0.13 0.00 -0.73 0.00 0.00 179.01 179.00 1x81 h ALA 168 N 0.66 -0.36 -0.93 2.92 0.00 -1.23 -3.17 119.26 117.15 1x81 h ALA 168 Ca 0.04 -0.15 0.12 0.00 0.00 0.00 0.00 54.91 54.92 1x81 h ALA 168 Cb 0.74 0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.60 1x81 h ALA 168 CO 0.05 -0.60 0.59 1.88 0.00 0.00 0.00 179.25 181.18 1x81 h TYR 169 N -0.56 0.96 0.00 0.00 0.05 -1.30 -1.61 116.97 114.50 1x81 h TYR 169 Ca -0.04 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.77 1x81 h TYR 169 Cb 0.41 -0.30 0.00 0.00 1.01 0.00 0.00 36.73 37.85 1x81 h TYR 169 CO -0.00 0.38 0.00 0.09 -1.05 0.00 0.00 178.16 177.58 1x81 n ASN 170 N -4.57 0.00 -0.05 3.88 5.03 -0.82 -3.10 115.26 115.63 1x81 n ASN 170 Ca 0.17 -0.26 -0.09 0.00 0.87 0.00 0.00 54.58 55.28 1x81 n ASN 170 Cb 0.39 -0.23 0.07 0.00 -1.02 0.00 0.00 39.78 38.99 1x81 n ASN 170 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 1x81 h VAL 171 N 0.00 1.29 -2.95 2.41 2.07 -1.26 -3.43 116.25 114.38 1x81 h VAL 171 Ca 0.00 -1.54 -0.56 0.00 0.82 0.00 0.00 66.70 65.42 1x81 h VAL 171 Cb 0.22 1.47 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 1x81 h VAL 171 CO 0.00 0.50 0.84 -0.63 0.02 0.00 0.00 177.57 178.30 1x81 s ILE 172 N -4.32 4.17 -1.18 4.57 1.01 -1.18 -4.94 121.20 119.32 1x81 s ILE 172 Ca -0.09 1.46 -0.15 0.00 0.00 0.00 0.00 60.65 61.87 1x81 s ILE 172 Cb 0.12 -3.94 0.16 0.00 0.01 0.00 0.00 42.46 38.81 1x81 s ILE 172 CO 0.84 -0.07 1.43 0.21 0.00 0.00 0.00 174.94 177.35 1x81 s ASN 173 N 1.89 6.99 0.35 3.58 3.84 -1.26 -4.89 114.94 125.44 1x81 s ASN 173 Ca 0.57 -2.82 0.15 0.00 0.21 0.00 0.00 52.86 50.98 1x81 s ASN 173 Cb -0.24 -2.42 1.08 0.00 -0.55 0.00 0.00 41.25 39.11 1x81 s ASN 173 CO 0.19 -0.83 1.69 0.03 -2.79 0.00 0.00 177.10 175.39 1x81 h ARG 174 N 7.42 0.36 0.48 0.43 3.08 -1.95 0.19 114.38 124.37 1x81 h ARG 174 Ca 0.31 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.31 1x81 h ARG 174 Cb 0.89 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.87 1x81 h ARG 174 CO 1.25 0.24 -0.23 0.93 -1.07 0.00 0.00 179.97 181.09 1x81 h GLU 175 N 0.37 -0.62 -0.02 0.04 3.07 -2.00 -1.35 114.58 114.08 1x81 h GLU 175 Ca 0.71 0.04 0.01 0.00 -0.50 0.00 0.00 59.36 59.61 1x81 h GLU 175 Cb 1.64 0.14 -0.00 0.00 -0.84 0.00 0.00 28.75 29.69 1x81 h GLU 175 CO -0.52 -0.41 0.04 0.87 -1.40 0.00 0.00 179.01 177.59 1x81 h LYS 176 N -0.72 0.00 -0.01 2.33 1.79 -1.78 0.29 116.57 118.47 1x81 h LYS 176 Ca -0.07 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.40 1x81 h LYS 176 Cb 0.49 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.14 1x81 h LYS 176 CO 0.11 0.00 0.00 1.25 -1.08 0.00 0.00 179.45 179.73 1x81 h LEU 177 N 0.00 0.01 -1.13 2.94 5.85 -0.36 -2.36 115.31 120.26 1x81 h LEU 177 Ca 0.01 -0.28 -0.09 0.00 0.84 0.00 0.00 57.88 58.37 1x81 h LEU 177 Cb 0.09 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 1x81 h LEU 177 CO -0.00 0.28 -0.32 0.25 -0.34 0.00 0.00 178.44 178.31 1x81 h LEU 178 N -0.26 0.19 -0.00 2.25 5.85 0.15 -1.96 115.31 121.54 1x81 h LEU 178 Ca 0.00 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.66 1x81 h LEU 178 Cb 0.28 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.26 1x81 h LEU 178 CO 0.00 0.52 -0.00 1.56 -0.34 0.00 0.00 178.44 180.18 1x81 h GLN 179 N 0.17 0.00 -0.13 1.25 4.20 -1.13 -2.64 115.11 116.83 1x81 h GLN 179 Ca 0.02 -0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.78 1x81 h GLN 179 Cb 0.66 -0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.38 1x81 h GLN 179 CO 0.05 0.37 -0.37 -0.92 -0.67 0.00 0.00 178.83 177.29 1x81 h TYR 180 N -0.37 -1.03 -0.87 2.96 3.20 -1.26 -0.36 116.97 119.25 1x81 h TYR 180 Ca 0.00 0.04 0.21 0.00 3.14 0.00 0.00 58.73 62.12 1x81 h TYR 180 Cb 0.37 0.47 -0.12 0.00 1.54 0.00 0.00 36.73 38.99 1x81 h TYR 180 CO 0.05 -0.44 0.35 -0.07 -1.64 0.00 0.00 178.16 176.42 1x81 h LEU 181 N -0.45 0.27 -2.01 2.82 3.38 -1.35 0.78 115.31 118.76 1x81 h LEU 181 Ca 0.09 0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 1x81 h LEU 181 Cb 0.59 0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.48 1x81 h LEU 181 CO -0.37 -0.00 -0.10 1.88 0.09 0.00 0.00 178.44 179.93 1x81 h TYR 182 N 0.38 0.00 -0.00 1.13 0.05 -0.72 -1.61 116.97 116.20 1x81 h TYR 182 Ca 0.53 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.31 1x81 h TYR 182 Cb 0.99 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.73 1x81 h TYR 182 CO -0.16 0.10 -0.04 -1.13 -1.05 0.00 0.00 178.16 175.88 1x81 n SER 183 N -3.75 0.05 -0.00 3.88 3.41 0.27 -3.06 113.62 114.42 1x81 n SER 183 Ca -0.02 0.32 0.09 0.00 -0.26 0.00 0.00 58.87 59.00 1x81 n SER 183 Cb 0.20 -0.40 -0.11 0.00 -0.26 0.00 0.00 64.21 63.65 1x81 n SER 183 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1x81 n LEU 184 N -1.45 0.90 -4.77 1.04 4.77 -0.62 -4.98 117.00 111.89 1x81 n LEU 184 Ca 0.08 -0.50 -0.40 0.00 -0.03 0.00 0.00 56.01 55.16 1x81 n LEU 184 Cb 0.32 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.41 1x81 n LEU 184 CO 0.27 0.23 1.01 -0.75 -1.33 0.00 0.00 177.39 176.81 1x81 s LYS 185 N -2.79 4.09 0.20 3.23 2.47 -1.13 -0.84 119.74 124.96 1x81 s LYS 185 Ca 0.07 2.27 0.10 0.00 -1.56 0.00 0.00 55.97 56.86 1x81 s LYS 185 Cb 0.14 -2.88 -0.04 0.00 -1.46 0.00 0.00 37.83 33.59 1x81 s LYS 185 CO 0.78 -0.43 -0.18 -0.65 0.16 0.00 0.00 175.35 175.03 1x81 s GLN 186 N -2.09 1.76 0.34 4.03 -1.52 0.43 -4.93 119.66 117.67 1x81 s GLN 186 Ca 0.54 -1.44 0.08 0.00 -1.95 0.00 0.00 55.36 52.58 1x81 s GLN 186 Cb -0.41 -1.97 0.78 0.00 -0.22 0.00 0.00 33.01 31.19 1x81 s GLN 186 CO 0.53 0.41 1.84 -1.35 -0.25 0.00 0.00 175.29 176.47 1x81 h PRO 187 N 2.98 0.72 -0.57 2.91 0.11 -1.97 -0.43 132.00 135.75 1x81 h PRO 187 Ca -0.46 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1x81 h PRO 187 Cb 1.21 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1x81 h PRO 187 CO 0.52 0.47 0.00 -0.40 -0.21 0.00 0.00 178.00 178.38 1x81 n ASP 188 N -4.62 1.23 -0.74 -2.05 5.75 -1.26 -4.87 116.55 109.99 1x81 n ASP 188 Ca 0.19 -2.08 -0.07 0.00 -0.01 0.00 0.00 54.79 52.83 1x81 n ASP 188 Cb 0.50 -0.33 -0.00 0.00 -1.03 0.00 0.00 41.12 40.26 1x81 n ASP 188 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1x81 n GLY 189 N 0.35 0.14 3.48 6.12 0.00 -0.17 -4.46 105.19 110.65 1x81 n GLY 189 Ca 0.04 -0.62 -0.26 0.00 0.00 0.00 0.00 46.02 45.18 1x81 n GLY 189 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x81 s SER 190 N -2.71 3.71 -0.10 1.61 1.04 -1.25 -3.02 113.70 112.98 1x81 s SER 190 Ca 0.00 -0.79 -0.01 0.00 0.48 0.00 0.00 55.95 55.63 1x81 s SER 190 Cb 0.00 -0.41 -0.03 0.00 0.10 0.00 0.00 66.02 65.69 1x81 s SER 190 CO 0.00 0.10 -0.07 -0.36 0.98 0.00 0.00 173.24 173.90 1x81 s PHE 191 N -1.78 2.94 0.44 5.02 0.40 -1.26 -0.43 117.98 123.31 1x81 s PHE 191 Ca 0.23 -0.17 -0.23 0.00 -0.60 0.00 0.00 56.93 56.16 1x81 s PHE 191 Cb -0.08 -1.80 -0.08 0.00 0.51 0.00 0.00 43.02 41.57 1x81 s PHE 191 CO 0.12 0.14 1.13 -0.51 0.70 0.00 0.00 175.22 176.80 1x81 s LEU 192 N -0.28 4.06 0.20 -0.37 1.43 -0.02 -4.44 118.68 119.25 1x81 s LEU 192 Ca 0.04 2.21 -0.10 0.00 -1.03 0.00 0.00 54.13 55.25 1x81 s LEU 192 Cb -0.13 -4.22 0.14 0.00 0.03 0.00 0.00 46.19 42.01 1x81 s LEU 192 CO 0.02 -0.77 1.83 -0.03 0.23 0.00 0.00 176.35 177.64 1x81 h MET 193 N 2.21 1.01 -3.36 1.70 1.85 -0.73 -3.46 114.93 114.14 1x81 h MET 193 Ca -0.49 -0.11 -0.01 0.00 -0.61 0.00 0.00 59.70 58.49 1x81 h MET 193 Cb 1.24 -0.20 -0.07 0.00 0.43 0.00 0.00 31.60 32.99 1x81 h MET 193 CO 0.61 0.73 0.05 -3.38 -0.40 0.00 0.00 176.91 174.52 1x81 s HIS 194 N -5.91 0.14 -0.07 1.39 0.00 -1.26 -1.64 115.29 107.94 1x81 s HIS 194 Ca -0.13 -0.55 -0.29 0.00 -3.00 0.00 0.00 55.06 51.08 1x81 s HIS 194 Cb 0.15 0.43 -0.07 0.00 -4.00 0.00 0.00 32.58 29.09 1x81 s HIS 194 CO 0.79 -1.13 1.92 0.08 -1.00 0.00 0.00 174.74 175.41 1x81 s VAL 195 N -3.87 3.20 0.00 -5.38 1.01 -1.26 -1.22 120.40 112.88 1x81 s VAL 195 Ca 0.18 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.39 1x81 s VAL 195 Cb -0.03 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.17 1x81 s VAL 195 CO 0.09 -0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.74 1x81 n GLY 196 N 4.77 2.98 0.00 4.51 0.00 -1.26 -5.03 105.19 111.16 1x81 n GLY 196 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1x81 n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x81 n GLY 197 N -0.57 -3.02 3.87 -0.02 0.00 -0.36 -5.08 105.19 100.01 1x81 n GLY 197 Ca 0.00 -1.30 -0.28 0.00 0.00 0.00 0.00 46.02 44.43 1x81 n GLY 197 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x81 s GLU 198 N -1.50 2.24 -0.10 1.61 2.02 -1.26 -4.75 118.70 116.96 1x81 s GLU 198 Ca 0.00 -2.15 0.03 0.00 0.02 0.00 0.00 54.97 52.87 1x81 s GLU 198 Cb 0.00 -1.93 0.01 0.00 0.10 0.00 0.00 34.13 32.31 1x81 s GLU 198 CO 0.00 -0.57 -0.20 0.14 0.02 0.00 0.00 175.26 174.65 1x81 s VAL 199 N -2.82 1.76 0.20 2.63 -7.23 -1.26 -0.02 120.40 113.66 1x81 s VAL 199 Ca 0.25 -0.83 0.02 0.00 -1.81 0.00 0.00 61.98 59.60 1x81 s VAL 199 Cb -0.01 -1.55 -0.05 0.00 0.56 0.00 0.00 36.38 35.33 1x81 s VAL 199 CO 0.15 0.49 0.03 1.51 -0.31 0.00 0.00 175.10 176.97 1x81 s ASP 200 N 0.57 1.22 0.22 4.85 3.84 -1.26 -4.79 116.67 121.32 1x81 s ASP 200 Ca -0.15 -1.23 -0.15 0.00 -0.00 0.00 0.00 52.55 51.03 1x81 s ASP 200 Cb -0.17 0.13 0.25 0.00 -1.38 0.00 0.00 42.92 41.75 1x81 s ASP 200 CO 0.05 -0.61 1.59 0.58 -0.00 0.00 0.00 175.17 176.79 1x81 h VAL 201 N 2.61 0.20 -0.93 2.11 2.07 -0.62 -2.01 116.25 119.67 1x81 h VAL 201 Ca -0.37 0.00 0.26 0.00 0.82 0.00 0.00 66.70 67.41 1x81 h VAL 201 Cb 1.22 0.20 -0.17 0.00 -1.52 0.00 0.00 31.29 31.01 1x81 h VAL 201 CO 0.62 0.00 0.03 -1.14 0.02 0.00 0.00 177.57 177.11 1x81 n ARG 202 N -5.48 -0.07 0.12 1.57 0.63 -1.26 0.73 116.66 112.89 1x81 n ARG 202 Ca 0.09 1.40 0.15 0.00 -0.92 0.00 0.00 57.85 58.57 1x81 n ARG 202 Cb 0.38 -2.23 0.69 0.00 0.45 0.00 0.00 32.46 31.76 1x81 n ARG 202 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1x81 h SER 203 N 0.00 0.00 0.09 6.15 4.64 -1.65 0.97 113.55 123.75 1x81 h SER 203 Ca 0.57 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.89 1x81 h SER 203 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1x81 h SER 203 CO -0.87 0.00 -0.04 0.00 -0.87 0.00 0.00 176.83 175.05 1x81 h ALA 204 N 1.84 -0.11 -0.62 5.18 0.00 0.18 -1.51 119.26 124.21 1x81 h ALA 204 Ca 0.14 -0.28 0.15 0.00 0.00 0.00 0.00 54.91 54.92 1x81 h ALA 204 Cb 0.57 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1x81 h ALA 204 CO -0.00 -0.22 0.43 -0.92 0.00 0.00 0.00 179.25 178.54 1x81 h TYR 205 N -0.80 0.21 0.51 0.00 3.20 -1.13 -1.24 116.97 117.73 1x81 h TYR 205 Ca -0.01 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 1x81 h TYR 205 Cb 0.59 -0.07 0.01 0.00 1.54 0.00 0.00 36.73 38.80 1x81 h TYR 205 CO 0.12 0.08 -0.25 0.00 -1.64 0.00 0.00 178.16 176.48 1x81 h ALA 207 N -1.12 1.32 0.47 0.00 0.00 -0.53 -1.53 119.26 117.86 1x81 h ALA 207 Ca -0.07 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1x81 h ALA 207 Cb 0.55 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1x81 h ALA 207 CO 0.12 -0.17 -0.22 0.00 0.00 0.00 0.00 179.25 178.98 1x81 h ALA 208 N 1.60 -0.63 -0.87 0.00 0.00 -1.33 0.21 119.26 118.24 1x81 h ALA 208 Ca 0.49 -0.18 0.23 0.00 0.00 0.00 0.00 54.91 55.45 1x81 h ALA 208 Cb 0.77 0.24 -0.14 0.00 0.00 0.00 0.00 17.79 18.66 1x81 h ALA 208 CO -0.41 -0.63 0.20 1.03 0.00 0.00 0.00 179.25 179.44 1x81 h SER 209 N -1.06 -0.06 0.16 0.00 0.87 -1.14 0.95 113.55 113.26 1x81 h SER 209 Ca -0.06 0.20 -0.01 0.00 -1.23 0.00 0.00 61.79 60.69 1x81 h SER 209 Cb 0.56 0.29 0.00 0.00 -0.44 0.00 0.00 62.40 62.81 1x81 h SER 209 CO 0.11 -0.17 -0.07 0.58 -0.53 0.00 0.00 176.83 176.74 1x81 h VAL 210 N 0.18 0.92 0.00 2.23 2.07 -1.27 -3.05 116.25 117.34 1x81 h VAL 210 Ca 0.54 -1.09 0.00 0.00 0.82 0.00 0.00 66.70 66.97 1x81 h VAL 210 Cb 1.09 1.52 0.00 0.00 -1.52 0.00 0.00 31.29 32.37 1x81 h VAL 210 CO -0.67 0.23 0.00 0.00 0.02 0.00 0.00 177.57 177.14 1x81 n ALA 211 N -2.52 1.44 -0.41 1.67 0.00 0.75 -2.96 120.51 118.47 1x81 n ALA 211 Ca -0.08 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1x81 n ALA 211 Cb 0.27 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.45 1x81 n ALA 211 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1x81 n SER 212 N -1.91 0.00 -0.36 0.00 2.88 0.32 -1.61 113.62 112.95 1x81 n SER 212 Ca 0.02 0.33 0.32 0.00 -1.33 0.00 0.00 58.87 58.20 1x81 n SER 212 Cb 0.14 -0.29 0.58 0.00 -0.75 0.00 0.00 64.21 63.89 1x81 n SER 212 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1x81 h LEU 213 N 0.00 0.34 -0.06 2.46 3.38 -1.57 1.16 115.31 121.03 1x81 h LEU 213 Ca 0.00 0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1x81 h LEU 213 Cb 0.00 0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1x81 h LEU 213 CO 0.00 -0.32 0.00 0.35 0.09 0.00 0.00 178.44 178.56 1x81 n THR 214 N -5.08 0.58 -2.87 0.22 -2.24 -1.16 -3.90 114.28 99.83 1x81 n THR 214 Ca 0.37 -0.23 -0.08 0.00 -2.27 0.00 0.00 64.05 61.84 1x81 n THR 214 Cb 1.27 -0.63 0.04 0.00 -2.10 0.00 0.00 70.33 68.91 1x81 n THR 214 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1x81 n ASN 215 N -2.22 -6.14 -2.19 3.42 5.15 0.40 -4.72 115.26 108.97 1x81 n ASN 215 Ca 0.05 -0.39 -0.03 0.00 -0.60 0.00 0.00 54.58 53.61 1x81 n ASN 215 Cb 0.41 -4.41 0.05 0.00 -0.53 0.00 0.00 39.78 35.30 1x81 n ASN 215 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 1x81 n ILE 216 N -2.45 1.33 -3.03 -1.44 -5.35 -0.63 -4.95 119.36 102.84 1x81 n ILE 216 Ca -0.04 -2.80 -0.44 0.00 -0.27 0.00 0.00 62.75 59.21 1x81 n ILE 216 Cb 0.56 0.61 -0.05 0.00 -1.74 0.00 0.00 39.64 39.03 1x81 n ILE 216 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1x81 s ILE 217 N -3.10 4.66 0.92 7.28 1.01 -1.24 -4.91 121.20 125.82 1x81 s ILE 217 Ca 0.34 -0.59 -0.12 0.00 0.00 0.00 0.00 60.65 60.28 1x81 s ILE 217 Cb 0.36 -4.50 0.14 0.00 0.01 0.00 0.00 42.46 38.47 1x81 s ILE 217 CO -0.05 -1.13 1.09 0.42 0.00 0.00 0.00 174.94 175.26 1x81 s THR 218 N 3.14 2.53 0.11 2.92 -4.23 -1.26 -4.92 115.64 113.94 1x81 s THR 218 Ca 0.17 0.17 0.34 0.00 -1.18 0.00 0.00 61.69 61.19 1x81 s THR 218 Cb -0.20 -2.63 0.37 0.00 1.34 0.00 0.00 72.50 71.38 1x81 s THR 218 CO 0.10 -0.23 2.01 -0.65 -0.54 0.00 0.00 174.62 175.31 1x81 h PRO 219 N -1.65 0.00 -0.10 3.99 0.11 -2.06 -3.14 132.00 129.15 1x81 h PRO 219 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1x81 h PRO 219 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1x81 h PRO 219 CO 0.54 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.93 1x81 n ASP 220 N -2.89 2.32 0.03 -2.05 5.75 -1.26 -4.75 116.55 113.70 1x81 n ASP 220 Ca -0.00 -2.08 -0.12 0.00 -0.01 0.00 0.00 54.79 52.58 1x81 n ASP 220 Cb 0.22 -0.10 -0.07 0.00 -1.03 0.00 0.00 41.12 40.14 1x81 n ASP 220 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 1x81 h LEU 221 N 0.60 -0.00 -3.12 -2.12 5.85 -1.91 -3.19 115.31 111.42 1x81 h LEU 221 Ca 0.00 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.64 1x81 h LEU 221 Cb 0.61 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.64 1x81 h LEU 221 CO 0.01 0.08 0.00 0.49 -0.34 0.00 0.00 178.44 178.67 1x81 n PHE 222 N -5.05 1.65 -1.68 1.25 3.72 -1.26 -4.98 117.46 111.11 1x81 n PHE 222 Ca -0.07 -0.61 -0.46 0.00 -0.05 0.00 0.00 57.45 56.26 1x81 n PHE 222 Cb 0.07 -0.35 -0.04 0.00 -0.94 0.00 0.00 39.48 38.21 1x81 n PHE 222 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 1x81 n GLU 223 N 0.82 2.25 -0.30 -1.08 2.13 -1.21 -0.71 120.64 122.53 1x81 n GLU 223 Ca 0.25 0.82 0.00 0.00 0.66 0.00 0.00 57.16 58.88 1x81 n GLU 223 Cb 0.98 -2.63 0.00 0.00 0.27 0.00 0.00 31.44 30.05 1x81 n GLU 223 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1x81 n GLY 224 N 3.90 2.00 0.15 8.31 0.00 -1.26 -4.11 105.19 114.18 1x81 n GLY 224 Ca 0.19 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.01 1x81 n GLY 224 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1x81 h THR 225 N 0.00 1.40 -0.69 2.61 2.02 -0.83 0.80 112.91 118.21 1x81 h THR 225 Ca 0.00 -2.32 0.14 0.00 0.77 0.00 0.00 66.41 64.99 1x81 h THR 225 Cb 0.00 2.77 -0.10 0.00 -1.74 0.00 0.00 68.15 69.09 1x81 h THR 225 CO 0.00 0.68 0.20 0.00 0.37 0.00 0.00 175.52 176.77 1x81 h ALA 226 N 0.25 0.90 0.21 6.16 0.00 -1.85 0.01 119.26 124.94 1x81 h ALA 226 Ca -0.13 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1x81 h ALA 226 Cb 1.61 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.57 1x81 h ALA 226 CO 0.17 -0.28 -0.10 0.93 0.00 0.00 0.00 179.25 179.96 1x81 h GLU 227 N 0.32 -0.28 -0.71 0.00 3.07 -1.89 -2.67 114.58 112.43 1x81 h GLU 227 Ca 0.38 0.02 0.01 0.00 -0.50 0.00 0.00 59.36 59.27 1x81 h GLU 227 Cb 0.60 0.06 -0.04 0.00 -0.84 0.00 0.00 28.75 28.53 1x81 h GLU 227 CO -0.44 -0.08 0.47 2.35 -1.40 0.00 0.00 179.01 179.92 1x81 h TRP 228 N -0.42 0.88 0.20 4.33 7.01 -0.17 -2.25 115.95 125.53 1x81 h TRP 228 Ca -0.03 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 60.98 1x81 h TRP 228 Cb 0.32 -0.30 0.00 0.00 -2.10 0.00 0.00 29.16 27.09 1x81 h TRP 228 CO -0.02 0.55 -0.10 0.82 -2.79 0.00 0.00 178.44 176.90 1x81 h ILE 229 N 0.95 0.87 -0.60 2.65 2.04 -0.99 -2.74 117.51 119.69 1x81 h ILE 229 Ca 0.26 -0.34 0.14 0.00 1.00 0.00 0.00 64.86 65.92 1x81 h ILE 229 Cb -0.09 1.07 -0.03 0.00 -0.74 0.00 0.00 36.82 37.03 1x81 h ILE 229 CO -0.06 0.08 0.42 0.00 0.00 0.00 0.00 178.15 178.58 1x81 h ALA 230 N 0.33 2.27 0.00 1.87 0.00 -1.21 0.81 119.26 123.33 1x81 h ALA 230 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1x81 h ALA 230 Cb 0.33 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1x81 h ALA 230 CO 0.05 -0.43 0.00 0.54 0.00 0.00 0.00 179.25 179.40 1x81 n ARG 231 N -4.43 0.16 0.00 0.00 1.74 -0.87 -2.13 116.66 111.14 1x81 n ARG 231 Ca 0.11 0.17 0.12 0.00 -0.77 0.00 0.00 57.85 57.48 1x81 n ARG 231 Cb 0.52 -1.50 0.22 0.00 -1.02 0.00 0.00 32.46 30.68 1x81 n ARG 231 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1x81 s GLN 233 N -2.21 4.38 0.00 0.00 0.74 -0.90 -1.30 119.66 120.36 1x81 s GLN 233 Ca 0.27 0.94 0.00 0.00 0.05 0.00 0.00 55.36 56.62 1x81 s GLN 233 Cb 0.20 -3.50 0.00 0.00 1.10 0.00 0.00 33.01 30.80 1x81 s GLN 233 CO 0.42 -0.11 0.00 0.27 -0.55 0.00 0.00 175.29 175.32 1x81 n ASN 234 N 4.41 1.39 0.18 6.67 6.94 -1.17 -4.98 115.26 128.71 1x81 n ASN 234 Ca 0.01 -0.72 0.09 0.00 -0.02 0.00 0.00 54.58 53.94 1x81 n ASN 234 Cb 0.50 0.00 0.46 0.00 -2.36 0.00 0.00 39.78 38.38 1x81 n ASN 234 CO 0.00 0.00 0.00 4.11 -1.03 0.00 0.00 177.26 180.34 1x81 h TRP 235 N 0.50 0.00 0.00 -2.53 5.08 -1.96 -0.17 115.95 116.87 1x81 h TRP 235 Ca 0.00 0.00 -0.16 0.00 1.08 0.00 0.00 58.89 59.81 1x81 h TRP 235 Cb 0.00 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 26.13 1x81 h TRP 235 CO 0.00 0.00 -1.04 0.93 -1.28 0.00 0.00 178.44 177.05 1x81 h GLU 236 N 0.00 0.00 0.00 0.12 5.08 -1.94 -3.47 114.58 114.36 1x81 h GLU 236 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1x81 h GLU 236 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1x81 h GLU 236 CO 0.00 0.46 0.00 0.41 -1.00 0.00 0.00 179.01 178.88 1x81 n GLY 237 N 1.34 2.66 0.00 -3.84 0.00 -0.08 -4.46 105.19 100.81 1x81 n GLY 237 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1x81 n GLY 237 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x81 n GLY 238 N -0.84 -0.47 3.00 -0.02 0.00 -1.26 -3.46 105.19 102.14 1x81 n GLY 238 Ca 0.00 -1.56 -0.13 0.00 0.00 0.00 0.00 46.02 44.33 1x81 n GLY 238 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x81 s ILE 239 N 0.00 0.37 0.50 -0.61 1.01 -1.26 -3.02 121.20 118.19 1x81 s ILE 239 Ca 0.00 -0.68 0.04 0.00 0.00 0.00 0.00 60.65 60.01 1x81 s ILE 239 Cb 0.00 -0.41 -0.00 0.00 0.01 0.00 0.00 42.46 42.06 1x81 s ILE 239 CO 0.00 -0.21 0.18 -0.83 0.00 0.00 0.00 174.94 174.08 1x81 s GLY 240 N -0.96 2.65 0.13 6.18 0.00 -0.42 -0.49 107.32 114.41 1x81 s GLY 240 Ca -0.06 -1.07 -0.19 0.00 0.00 0.00 0.00 44.72 43.39 1x81 s GLY 240 CO -0.00 -2.05 1.78 -1.33 0.00 0.00 0.00 173.10 171.50 1x81 h GLY 241 N 1.16 0.32 -5.07 0.20 0.00 -1.86 -3.43 103.07 94.39 1x81 h GLY 241 Ca -0.41 -0.11 -0.18 0.00 0.00 0.00 0.00 47.33 46.63 1x81 h GLY 241 CO 0.67 0.10 -0.68 -1.34 0.00 0.00 0.00 176.54 175.30 1x81 s VAL 242 N -6.17 0.09 -0.22 4.60 -7.23 -1.26 0.08 120.40 110.28 1x81 s VAL 242 Ca -0.13 -0.70 -0.41 0.00 -1.81 0.00 0.00 61.98 58.93 1x81 s VAL 242 Cb 0.09 -0.23 -0.19 0.00 0.56 0.00 0.00 36.38 36.61 1x81 s VAL 242 CO 0.70 -0.39 1.24 -2.65 -0.31 0.00 0.00 175.10 173.69 1x81 n PRO 243 N 1.88 0.00 0.00 4.82 -0.02 -1.26 -2.17 135.00 138.25 1x81 n PRO 243 Ca -0.21 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.27 1x81 n PRO 243 Cb 0.56 -1.41 0.00 0.00 -0.02 0.00 0.00 33.50 32.63 1x81 n PRO 243 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1x81 n GLY 244 N 2.51 0.56 3.89 -1.23 0.00 -1.26 -5.09 105.19 104.58 1x81 n GLY 244 Ca 0.24 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.95 1x81 n GLY 244 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1x81 s MET 245 N -0.97 3.68 0.61 1.61 -1.94 -0.92 -5.05 119.30 116.32 1x81 s MET 245 Ca 0.00 0.06 -0.18 0.00 -1.71 0.00 0.00 55.69 53.86 1x81 s MET 245 Cb 0.00 -2.70 -0.04 0.00 2.01 0.00 0.00 34.83 34.10 1x81 s MET 245 CO 0.00 0.31 0.97 -1.91 -0.01 0.00 0.00 175.02 174.39 1x81 n GLU 246 N -0.42 0.87 -2.01 2.03 2.13 -1.26 -4.33 120.64 117.64 1x81 n GLU 246 Ca -0.01 0.34 -0.41 0.00 0.66 0.00 0.00 57.16 57.74 1x81 n GLU 246 Cb 0.53 -2.18 -0.02 0.00 0.27 0.00 0.00 31.44 30.04 1x81 n GLU 246 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1x81 s ALA 247 N -1.52 3.58 -0.05 4.31 0.00 -1.26 -4.20 121.76 122.62 1x81 s ALA 247 Ca 0.77 1.35 -0.04 0.00 0.00 0.00 0.00 51.96 54.04 1x81 s ALA 247 Cb -0.41 -3.54 0.01 0.00 0.00 0.00 0.00 23.12 19.18 1x81 s ALA 247 CO 0.46 -0.76 0.12 -1.58 0.00 0.00 0.00 175.76 174.00 1x81 s HIS 248 N -0.54 -0.13 0.28 0.00 2.46 0.35 -4.66 115.29 113.06 1x81 s HIS 248 Ca 0.55 0.33 0.00 0.00 0.47 0.00 0.00 55.06 56.42 1x81 s HIS 248 Cb -0.42 0.04 0.42 0.00 -0.13 0.00 0.00 32.58 32.49 1x81 s HIS 248 CO 0.49 -0.07 1.79 0.78 -2.47 0.00 0.00 174.74 175.26 1x81 h GLY 249 N 6.01 0.73 0.91 1.59 0.00 -1.73 0.54 103.07 111.13 1x81 h GLY 249 Ca -0.26 -0.48 -0.00 0.00 0.00 0.00 0.00 47.33 46.59 1x81 h GLY 249 CO 0.43 0.45 -0.01 -1.33 0.00 0.00 0.00 176.54 176.08 1x81 h GLY 250 N 0.94 -0.02 0.98 4.60 0.00 -1.87 -2.51 103.07 105.19 1x81 h GLY 250 Ca 0.12 0.01 -0.14 0.00 0.00 0.00 0.00 47.33 47.33 1x81 h GLY 250 CO 0.02 -0.01 -0.37 -0.97 0.00 0.00 0.00 176.54 175.21 1x81 h TYR 251 N -0.11 0.85 -0.69 5.60 0.05 -1.83 -2.97 116.97 117.87 1x81 h TYR 251 Ca -0.00 -0.29 0.13 0.00 0.05 0.00 0.00 58.73 58.62 1x81 h TYR 251 Cb 0.10 -0.17 -0.04 0.00 1.01 0.00 0.00 36.73 37.63 1x81 h TYR 251 CO -0.05 1.05 0.46 1.15 -1.05 0.00 0.00 178.16 179.73 1x81 h THR 252 N 0.41 0.84 0.31 -2.88 2.02 0.10 0.40 112.91 114.11 1x81 h THR 252 Ca 0.02 -0.15 -0.02 0.00 0.77 0.00 0.00 66.41 67.04 1x81 h THR 252 Cb 0.96 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 67.76 1x81 h THR 252 CO 0.09 0.08 -0.15 0.15 0.37 0.00 0.00 175.52 176.05 1x81 h PHE 253 N 0.43 -0.39 -0.84 3.16 3.57 -1.42 -2.94 116.94 118.50 1x81 h PHE 253 Ca 0.33 -0.01 0.19 0.00 3.53 0.00 0.00 57.97 62.01 1x81 h PHE 253 Cb 0.71 0.13 -0.06 0.00 2.79 0.00 0.00 35.95 39.52 1x81 h PHE 253 CO -0.00 -0.05 0.56 0.00 -2.23 0.00 0.00 178.31 176.59 1x81 h GLY 255 N 0.35 -0.74 0.98 0.00 0.00 -0.22 -2.33 103.07 101.10 1x81 h GLY 255 Ca 0.42 0.27 -0.03 0.00 0.00 0.00 0.00 47.33 47.99 1x81 h GLY 255 CO -0.13 -0.27 -0.33 -2.00 0.00 0.00 0.00 176.54 173.81 1x81 h LEU 256 N -1.05 -0.77 -1.59 3.11 5.85 -1.30 0.62 115.31 120.19 1x81 h LEU 256 Ca -0.07 0.01 0.13 0.00 0.84 0.00 0.00 57.88 58.80 1x81 h LEU 256 Cb 0.62 0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.80 1x81 h LEU 256 CO 0.12 -0.53 0.48 0.00 -0.34 0.00 0.00 178.44 178.17 1x81 h ALA 257 N -0.64 2.08 -0.17 1.25 0.00 -1.22 1.54 119.26 122.10 1x81 h ALA 257 Ca -0.09 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 1x81 h ALA 257 Cb 0.71 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1x81 h ALA 257 CO 0.15 -0.27 -0.26 0.00 0.00 0.00 0.00 179.25 178.87 1x81 h ALA 258 N 1.66 0.26 -0.59 0.00 0.00 -1.17 -2.57 119.26 116.85 1x81 h ALA 258 Ca 0.35 -0.39 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 1x81 h ALA 258 Cb 0.76 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1x81 h ALA 258 CO -0.11 0.25 -0.03 -0.07 0.00 0.00 0.00 179.25 179.29 1x81 h LEU 259 N 0.13 1.05 -1.49 0.00 3.38 0.18 -1.87 115.31 116.68 1x81 h LEU 259 Ca 0.02 -0.32 0.08 0.00 0.09 0.00 0.00 57.88 57.76 1x81 h LEU 259 Cb 0.84 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 1x81 h LEU 259 CO 0.06 1.12 0.45 0.58 0.09 0.00 0.00 178.44 180.73 1x81 h VAL 260 N 0.97 0.95 0.02 1.22 2.07 0.21 0.75 116.25 122.44 1x81 h VAL 260 Ca 0.16 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.48 1x81 h VAL 260 Cb 0.60 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 1x81 h VAL 260 CO 0.04 0.11 -0.01 0.40 0.02 0.00 0.00 177.57 178.12 1x81 h ILE 261 N 0.59 1.36 0.00 4.57 2.04 -1.22 -2.75 117.51 122.10 1x81 h ILE 261 Ca 0.30 -1.17 0.00 0.00 1.00 0.00 0.00 64.86 64.99 1x81 h ILE 261 Cb 0.42 2.14 0.00 0.00 -0.74 0.00 0.00 36.82 38.64 1x81 h ILE 261 CO -0.10 0.30 0.00 0.18 0.00 0.00 0.00 178.15 178.53 1x81 n LEU 262 N -4.86 0.00 -3.33 1.44 4.77 -0.10 -4.89 117.00 110.04 1x81 n LEU 262 Ca -0.09 0.12 -0.10 0.00 -0.03 0.00 0.00 56.01 55.92 1x81 n LEU 262 Cb 0.26 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1x81 n LEU 262 CO 0.33 -0.07 0.12 0.29 -1.33 0.00 0.00 177.39 176.73 1x81 n LYS 263 N -1.12 -1.44 -0.47 3.23 5.02 0.24 -4.93 118.16 118.69 1x81 n LYS 263 Ca 0.09 1.25 0.00 0.00 -2.02 0.00 0.00 58.31 57.62 1x81 n LYS 263 Cb 0.07 -4.46 0.00 0.00 -0.02 0.00 0.00 35.03 30.62 1x81 n LYS 263 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1x81 n LYS 264 N -2.02 0.00 -0.41 1.97 4.76 -0.89 -4.94 118.16 116.62 1x81 n LYS 264 Ca -0.11 -0.21 0.33 0.00 -2.87 0.00 0.00 58.31 55.44 1x81 n LYS 264 Cb 0.57 -0.11 0.62 0.00 -1.84 0.00 0.00 35.03 34.27 1x81 n LYS 264 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1x81 h GLU 265 N 0.00 0.17 0.00 1.97 3.07 -1.90 1.90 114.58 119.78 1x81 h GLU 265 Ca 0.00 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.84 1x81 h GLU 265 Cb 1.08 -0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 28.95 1x81 h GLU 265 CO 0.00 0.11 -0.06 0.00 -1.40 0.00 0.00 179.01 177.66 1x81 h ARG 266 N 0.17 0.00 0.00 2.33 3.08 -1.95 -2.49 114.38 115.52 1x81 h ARG 266 Ca 0.74 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.79 1x81 h ARG 266 Cb 2.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.32 1x81 h ARG 266 CO -0.36 0.06 0.09 0.43 -1.07 0.00 0.00 179.97 179.13 1x81 n SER 267 N -3.20 0.26 -4.95 7.04 7.64 0.65 -4.55 113.62 116.51 1x81 n SER 267 Ca 0.00 0.57 -0.21 0.00 1.01 0.00 0.00 58.87 60.24 1x81 n SER 267 Cb 0.31 -0.58 -0.02 0.00 -1.01 0.00 0.00 64.21 62.91 1x81 n SER 267 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1x81 s LEU 268 N -3.66 4.22 -1.36 -3.43 1.43 -0.94 -4.91 118.68 110.03 1x81 s LEU 268 Ca -0.01 0.00 -0.14 0.00 -1.03 0.00 0.00 54.13 52.95 1x81 s LEU 268 Cb 0.03 -2.77 0.09 0.00 0.03 0.00 0.00 46.19 43.57 1x81 s LEU 268 CO 0.09 -0.08 1.96 -3.20 0.23 0.00 0.00 176.35 175.35 1x81 n ASN 269 N -1.38 4.52 0.14 2.29 2.85 -1.26 -4.76 115.26 117.65 1x81 n ASN 269 Ca -0.08 -2.93 0.19 0.00 -0.11 0.00 0.00 54.58 51.64 1x81 n ASN 269 Cb 0.57 -1.63 0.69 0.00 1.24 0.00 0.00 39.78 40.65 1x81 n ASN 269 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 1x81 h LEU 270 N 10.13 0.00 -0.01 1.20 3.38 -1.86 -2.02 115.31 126.13 1x81 h LEU 270 Ca 0.48 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.31 1x81 h LEU 270 Cb 0.72 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.48 1x81 h LEU 270 CO 1.67 0.00 -0.54 0.50 0.09 0.00 0.00 178.44 180.15 1x81 h LYS 271 N 0.00 0.38 0.00 1.13 3.64 -1.97 -2.31 116.57 117.44 1x81 h LYS 271 Ca 0.16 -0.40 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 1x81 h LYS 271 Cb 1.24 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.17 1x81 h LYS 271 CO -0.00 1.07 0.00 0.66 -2.27 0.00 0.00 179.45 178.91 1x81 h SER 272 N -0.16 0.00 0.28 4.20 4.64 -1.70 -2.34 113.55 118.47 1x81 h SER 272 Ca -0.07 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.24 1x81 h SER 272 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1x81 h SER 272 CO 0.11 0.00 -0.13 0.25 -0.87 0.00 0.00 176.83 176.18 1x81 h LEU 273 N 0.00 -0.32 -0.89 5.97 5.85 -1.40 -2.41 115.31 122.12 1x81 h LEU 273 Ca 0.00 -0.02 0.23 0.00 0.84 0.00 0.00 57.88 58.93 1x81 h LEU 273 Cb 0.45 0.08 -0.13 0.00 0.37 0.00 0.00 40.66 41.44 1x81 h LEU 273 CO 0.00 0.15 0.35 0.25 -0.34 0.00 0.00 178.44 178.84 1x81 h LEU 274 N -1.09 0.23 -1.00 2.25 5.85 -1.31 0.49 115.31 120.74 1x81 h LEU 274 Ca -0.04 0.17 -0.06 0.00 0.84 0.00 0.00 57.88 58.79 1x81 h LEU 274 Cb 0.31 0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 1x81 h LEU 274 CO 0.06 -0.05 0.10 -0.61 -0.34 0.00 0.00 178.44 177.60 1x81 h GLN 275 N 0.34 0.83 0.23 1.25 -0.00 -1.49 -2.10 115.11 114.17 1x81 h GLN 275 Ca 0.56 -0.18 -0.01 0.00 -0.00 0.00 0.00 58.65 59.02 1x81 h GLN 275 Cb 1.09 -0.12 0.00 0.00 0.00 0.00 0.00 27.48 28.46 1x81 h GLN 275 CO -0.57 0.76 -0.11 2.35 0.00 0.00 0.00 178.83 181.27 1x81 h TRP 276 N 0.79 -0.29 -0.02 3.99 7.01 0.40 -3.01 115.95 124.83 1x81 h TRP 276 Ca 0.17 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.17 1x81 h TRP 276 Cb 0.33 0.09 -0.01 0.00 -2.10 0.00 0.00 29.16 27.48 1x81 h TRP 276 CO 0.02 0.09 -0.08 0.28 -2.79 0.00 0.00 178.44 175.96 1x81 h VAL 277 N -0.90 0.00 -1.02 2.65 2.07 -0.92 -2.39 116.25 115.74 1x81 h VAL 277 Ca -0.03 0.00 0.34 0.00 0.82 0.00 0.00 66.70 67.83 1x81 h VAL 277 Cb 0.50 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.12 1x81 h VAL 277 CO 0.05 0.00 0.59 0.71 0.02 0.00 0.00 177.57 178.94 1x81 h THR 278 N -0.08 0.25 0.00 2.57 1.35 -1.54 0.61 112.91 116.07 1x81 h THR 278 Ca 0.00 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 65.77 1x81 h THR 278 Cb 0.10 -0.04 0.00 0.00 -1.73 0.00 0.00 68.15 66.48 1x81 h THR 278 CO -0.06 0.05 0.00 0.28 -0.25 0.00 0.00 175.52 175.54 1x81 h SER 279 N 0.26 0.00 1.44 5.36 0.02 -1.29 -3.12 113.55 116.22 1x81 h SER 279 Ca 0.76 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.70 1x81 h SER 279 Cb 1.82 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 64.36 1x81 h SER 279 CO -0.61 0.00 -0.02 0.03 -1.14 0.00 0.00 176.83 175.09 1x81 h ARG 280 N 0.00 0.00 -6.89 3.45 2.47 0.60 -3.44 114.38 110.57 1x81 h ARG 280 Ca 0.00 0.00 -0.52 0.00 -1.26 0.00 0.00 59.98 58.20 1x81 h ARG 280 Cb 0.51 0.00 0.06 0.00 -1.65 0.00 0.00 29.97 28.89 1x81 h ARG 280 CO 0.00 0.02 0.60 -1.14 0.56 0.00 0.00 179.97 180.01 1x81 s GLN 281 N -3.46 4.30 -0.37 0.04 0.74 -1.18 -1.94 119.66 117.79 1x81 s GLN 281 Ca 0.04 2.11 -0.25 0.00 0.05 0.00 0.00 55.36 57.30 1x81 s GLN 281 Cb 0.07 -2.99 0.01 0.00 1.10 0.00 0.00 33.01 31.21 1x81 s GLN 281 CO 0.61 -0.20 0.88 -1.64 -0.55 0.00 0.00 175.29 174.39 1x81 s MET 282 N -1.88 3.81 0.57 1.67 -1.94 0.66 -4.92 119.30 117.27 1x81 s MET 282 Ca 0.50 0.49 0.32 0.00 -1.71 0.00 0.00 55.69 55.29 1x81 s MET 282 Cb -0.37 -3.81 1.45 0.00 2.01 0.00 0.00 34.83 34.11 1x81 s MET 282 CO 0.49 -0.92 1.81 0.07 -0.01 0.00 0.00 175.02 176.46 1x81 h ARG 283 N 8.48 0.00 0.00 2.03 0.11 -1.89 0.22 114.38 123.33 1x81 h ARG 283 Ca -0.24 0.00 -0.17 0.00 0.10 0.00 0.00 59.98 59.67 1x81 h ARG 283 Cb 1.08 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.14 1x81 h ARG 283 CO 0.96 0.00 -1.54 0.34 0.10 0.00 0.00 179.97 179.83 1x81 n PHE 284 N -3.93 0.00 -0.04 4.08 7.35 -1.25 -4.66 117.46 119.01 1x81 n PHE 284 Ca 0.17 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.77 1x81 n PHE 284 Cb 0.99 -0.66 -0.03 0.00 0.35 0.00 0.00 39.48 40.14 1x81 n PHE 284 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 1x81 h GLU 285 N -0.95 0.12 0.00 -4.13 3.07 -1.86 -3.47 114.58 107.35 1x81 h GLU 285 Ca -0.26 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.59 1x81 h GLU 285 Cb 1.19 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 29.08 1x81 h GLU 285 CO -0.16 0.08 0.00 0.41 -1.40 0.00 0.00 179.01 177.94 1x81 n GLY 286 N -1.17 2.00 4.00 -3.84 0.00 0.75 -4.72 105.19 102.22 1x81 n GLY 286 Ca -0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.76 1x81 n GLY 286 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1x81 s GLY 287 N -2.20 1.75 0.19 -0.02 0.00 -1.26 -3.41 107.32 102.37 1x81 s GLY 287 Ca 0.00 -1.83 -0.04 0.00 0.00 0.00 0.00 44.72 42.85 1x81 s GLY 287 CO 0.00 -1.27 0.42 -1.36 0.00 0.00 0.00 173.10 170.89 1x81 s PHE 288 N -3.07 3.48 0.18 1.90 0.40 -1.26 -0.25 117.98 119.36 1x81 s PHE 288 Ca 0.66 0.51 0.05 0.00 -0.60 0.00 0.00 56.93 57.55 1x81 s PHE 288 Cb -0.05 -1.98 -0.04 0.00 0.51 0.00 0.00 43.02 41.46 1x81 s PHE 288 CO 0.43 0.36 0.19 1.14 0.70 0.00 0.00 175.22 178.05 1x81 s GLN 289 N -3.05 3.05 0.26 0.44 -2.07 -0.82 -1.89 119.66 115.57 1x81 s GLN 289 Ca 0.41 -0.84 0.21 0.00 -1.82 0.00 0.00 55.36 53.33 1x81 s GLN 289 Cb -0.11 -2.71 0.08 0.00 -1.09 0.00 0.00 33.01 29.18 1x81 s GLN 289 CO 0.27 0.48 1.20 0.78 -1.32 0.00 0.00 175.29 176.70 1x81 h GLY 290 N 2.14 0.00 -4.70 2.60 0.00 -1.83 -3.46 103.07 97.82 1x81 h GLY 290 Ca -0.48 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 46.73 1x81 h GLY 290 CO 0.64 0.00 -0.24 0.50 0.00 0.00 0.00 176.54 177.43 1x81 s ARG 291 N -3.24 0.63 0.28 4.80 0.52 -1.26 -2.21 118.95 118.46 1x81 s ARG 291 Ca 0.02 0.05 -0.27 0.00 -0.52 0.00 0.00 55.73 55.00 1x81 s ARG 291 Cb 0.08 0.29 -0.14 0.00 0.52 0.00 0.00 34.95 35.69 1x81 s ARG 291 CO 0.76 -0.15 0.86 0.00 0.02 0.00 0.00 175.30 176.79 1x81 n ASN 293 N 1.38 -2.93 -3.66 0.00 3.02 -1.26 -5.02 115.26 106.79 1x81 n ASN 293 Ca 0.12 -0.82 -0.13 0.00 -0.03 0.00 0.00 54.58 53.71 1x81 n ASN 293 Cb 0.31 -4.21 -0.07 0.00 -0.61 0.00 0.00 39.78 35.21 1x81 n ASN 293 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1x81 s LYS 294 N -5.66 0.90 0.63 3.52 1.02 -1.04 -5.03 119.74 114.08 1x81 s LYS 294 Ca 0.17 -0.30 -0.17 0.00 0.02 0.00 0.00 55.97 55.69 1x81 s LYS 294 Cb -0.04 0.40 -0.05 0.00 -0.52 0.00 0.00 37.83 37.62 1x81 s LYS 294 CO 0.80 -0.30 0.72 1.28 -0.92 0.00 0.00 175.35 176.93 1x81 n LEU 295 N 0.63 2.11 -4.74 3.17 4.77 -1.26 -4.67 117.00 117.00 1x81 n LEU 295 Ca -0.19 0.72 -0.31 0.00 -0.03 0.00 0.00 56.01 56.20 1x81 n LEU 295 Cb 0.59 -1.28 0.11 0.00 -2.33 0.00 0.00 43.42 40.51 1x81 n LEU 295 CO 0.21 -2.56 0.69 0.54 -1.33 0.00 0.00 177.39 174.94 1x81 s VAL 296 N -1.70 3.03 -0.00 4.08 0.11 -1.26 -4.21 120.40 120.44 1x81 s VAL 296 Ca 0.71 0.33 -0.13 0.00 -2.93 0.00 0.00 61.98 59.96 1x81 s VAL 296 Cb -0.40 -2.75 0.02 0.00 -1.53 0.00 0.00 36.38 31.72 1x81 s VAL 296 CO 0.52 -0.44 0.28 -0.62 -3.33 0.00 0.00 175.10 171.51 1x81 s ASP 297 N -3.29 -0.14 0.01 3.54 -1.08 -0.79 -4.82 116.67 110.11 1x81 s ASP 297 Ca 0.62 -0.02 -0.03 0.00 -0.52 0.00 0.00 52.55 52.60 1x81 s ASP 297 Cb -0.18 0.30 -0.01 0.00 -1.46 0.00 0.00 42.92 41.57 1x81 s ASP 297 CO 0.57 -0.46 1.06 1.23 0.52 0.00 0.00 175.17 178.08 1x81 h GLY 298 N 3.81 -1.93 0.00 2.66 0.00 -0.99 -3.40 103.07 103.22 1x81 h GLY 298 Ca -0.30 0.86 0.00 0.00 0.00 0.00 0.00 47.33 47.89 1x81 h GLY 298 CO 0.41 -0.71 0.00 0.00 0.00 0.00 0.00 176.54 176.25 1x81 n TYR 300 N 0.00 0.00 0.90 0.00 4.01 -1.26 -4.55 117.16 116.26 1x81 n TYR 300 Ca 0.00 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.84 1x81 n TYR 300 Cb 0.00 -1.53 -0.02 0.00 -0.31 0.00 0.00 39.34 37.48 1x81 n TYR 300 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1x81 n SER 301 N -0.60 1.75 0.00 7.72 7.64 -1.26 -3.58 113.62 125.29 1x81 n SER 301 Ca 0.00 -1.37 0.00 0.00 1.01 0.00 0.00 58.87 58.51 1x81 n SER 301 Cb 0.30 0.55 0.00 0.00 -1.01 0.00 0.00 64.21 64.05 1x81 n SER 301 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1x81 n PHE 302 N -0.26 0.00 0.25 1.43 7.35 -1.25 -3.71 117.46 121.27 1x81 n PHE 302 Ca 0.08 0.00 0.11 0.00 -0.76 0.00 0.00 57.45 56.87 1x81 n PHE 302 Cb 0.40 0.01 0.66 0.00 0.35 0.00 0.00 39.48 40.91 1x81 n PHE 302 CO 0.00 0.00 0.00 -1.49 -0.76 0.00 0.00 176.76 174.51 1x81 h TRP 303 N 0.00 0.00 0.00 -5.13 -0.00 -1.87 -0.69 115.95 108.26 1x81 h TRP 303 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.89 1x81 h TRP 303 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.68 1x81 h TRP 303 CO 0.00 0.14 -0.19 1.04 -0.00 0.00 0.00 178.44 179.43 1x81 n GLN 304 N -3.81 0.10 -0.08 0.49 1.13 -1.23 -4.20 117.38 109.77 1x81 n GLN 304 Ca -0.02 0.04 0.14 0.00 -1.94 0.00 0.00 57.00 55.22 1x81 n GLN 304 Cb 0.25 -0.55 0.53 0.00 0.11 0.00 0.00 30.24 30.58 1x81 n GLN 304 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1x81 h ALA 305 N -1.12 2.11 0.00 -1.58 0.00 -1.73 0.10 119.26 117.04 1x81 h ALA 305 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1x81 h ALA 305 Cb 0.19 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1x81 h ALA 305 CO 0.00 -0.27 0.00 0.41 0.00 0.00 0.00 179.25 179.39 1x81 n GLY 306 N -1.54 -0.47 0.12 0.00 0.00 -0.26 -1.79 105.19 101.25 1x81 n GLY 306 Ca 0.11 -0.03 -0.17 0.00 0.00 0.00 0.00 46.02 45.93 1x81 n GLY 306 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1x81 h LEU 307 N 0.00 0.31 -1.40 0.99 3.38 -0.93 -3.37 115.31 114.29 1x81 h LEU 307 Ca 0.00 -0.60 0.10 0.00 0.09 0.00 0.00 57.88 57.47 1x81 h LEU 307 Cb 0.05 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 1x81 h LEU 307 CO 0.00 1.53 0.51 -0.07 0.09 0.00 0.00 178.44 180.49 1x81 h LEU 308 N 0.05 0.60 -0.89 1.67 3.38 -1.46 0.16 115.31 118.83 1x81 h LEU 308 Ca -0.34 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.62 1x81 h LEU 308 Cb 2.03 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 42.63 1x81 h LEU 308 CO 0.11 0.35 0.36 -0.65 0.09 0.00 0.00 178.44 178.71 1x81 h PRO 309 N 0.67 1.16 0.51 1.13 0.11 -1.72 -1.97 132.00 131.89 1x81 h PRO 309 Ca 0.36 -0.18 -0.03 0.00 0.11 0.00 0.00 66.00 66.26 1x81 h PRO 309 Cb 0.50 -0.20 0.01 0.00 0.11 0.00 0.00 31.00 31.41 1x81 h PRO 309 CO -0.13 0.91 -0.25 -0.07 -0.21 0.00 0.00 178.00 178.25 1x81 h LEU 310 N 1.15 -0.58 -1.88 2.35 3.38 -0.93 -2.76 115.31 116.03 1x81 h LEU 310 Ca 0.27 -0.04 0.17 0.00 0.09 0.00 0.00 57.88 58.38 1x81 h LEU 310 Cb 0.15 0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 1x81 h LEU 310 CO -0.03 -0.31 0.47 -0.07 0.09 0.00 0.00 178.44 178.59 1x81 h LEU 311 N -0.84 0.11 0.70 1.67 3.38 -0.99 -1.79 115.31 117.54 1x81 h LEU 311 Ca -0.07 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1x81 h LEU 311 Cb 0.59 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.33 1x81 h LEU 311 CO 0.12 0.05 -0.34 -0.74 0.09 0.00 0.00 178.44 177.62 1x81 h HIS 312 N 0.11 -0.87 -0.99 1.13 2.76 -1.15 0.27 115.15 116.41 1x81 h HIS 312 Ca 0.32 -0.02 0.23 0.00 -2.20 0.00 0.00 60.37 58.70 1x81 h HIS 312 Cb 1.11 0.29 -0.12 0.00 1.55 0.00 0.00 27.41 30.24 1x81 h HIS 312 CO -0.00 -0.51 0.58 0.00 -1.30 0.00 0.00 177.93 176.70 1x81 h ARG 313 N -1.11 0.59 0.43 5.26 3.08 -1.06 0.33 114.38 121.90 1x81 h ARG 313 Ca -0.10 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.90 1x81 h ARG 313 Cb 0.75 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.67 1x81 h ARG 313 CO 0.16 0.39 -0.20 0.00 -1.07 0.00 0.00 179.97 179.24 1x81 h ALA 314 N 1.71 -0.57 -0.97 0.04 0.00 -1.18 0.33 119.26 118.62 1x81 h ALA 314 Ca 0.62 -0.13 0.28 0.00 0.00 0.00 0.00 54.91 55.68 1x81 h ALA 314 Cb 1.14 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 19.11 1x81 h ALA 314 CO -0.46 -0.53 0.69 -0.07 0.00 0.00 0.00 179.25 178.88 1x81 h LEU 315 N -1.15 0.06 0.00 0.00 3.38 0.13 0.43 115.31 118.16 1x81 h LEU 315 Ca -0.06 0.01 -0.26 0.00 0.09 0.00 0.00 57.88 57.66 1x81 h LEU 315 Cb 0.44 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 1x81 h LEU 315 CO 0.10 0.02 -1.46 -0.74 0.09 0.00 0.00 178.44 176.44 1x81 h HIS 316 N 0.06 0.00 0.00 1.13 2.76 -0.36 -3.20 115.15 115.53 1x81 h HIS 316 Ca 0.47 -0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.60 1x81 h HIS 316 Cb 1.79 -0.00 -0.00 0.00 1.55 0.00 0.00 27.41 30.74 1x81 h HIS 316 CO -0.00 1.00 -0.17 0.00 -1.30 0.00 0.00 177.93 177.47 1x81 h ALA 317 N 0.99 1.28 0.00 5.26 0.00 0.39 -2.15 119.26 125.03 1x81 h ALA 317 Ca -0.19 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1x81 h ALA 317 Cb 1.93 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.69 1x81 h ALA 317 CO 0.10 0.21 -0.47 1.96 0.00 0.00 0.00 179.25 181.05 1x81 h GLN 318 N 0.00 0.00 0.00 0.00 4.20 -1.20 -3.49 115.11 114.62 1x81 h GLN 318 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1x81 h GLN 318 Cb 0.43 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.21 1x81 h GLN 318 CO 0.02 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.59 1x81 n GLY 319 N 1.29 2.39 0.13 3.46 0.00 -0.81 -5.05 105.19 106.61 1x81 n GLY 319 Ca 0.04 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.30 1x81 n GLY 319 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1x81 n ASP 320 N 0.00 0.00 0.00 1.61 -0.08 -1.21 -4.76 116.55 112.11 1x81 n ASP 320 Ca 0.00 0.00 0.10 0.00 -1.51 0.00 0.00 54.79 53.38 1x81 n ASP 320 Cb 0.00 0.00 0.58 0.00 2.34 0.00 0.00 41.12 44.04 1x81 n ASP 320 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1x81 n PRO 321 N 0.35 0.65 -0.47 -0.67 -0.04 -1.26 -3.91 135.00 129.65 1x81 n PRO 321 Ca 0.00 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.54 1x81 n PRO 321 Cb 0.00 -1.47 0.28 0.00 -0.04 0.00 0.00 33.50 32.27 1x81 n PRO 321 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1x81 n ALA 322 N -0.97 2.92 -2.65 0.55 0.00 -1.26 -4.92 120.51 114.17 1x81 n ALA 322 Ca 0.15 -1.21 -0.43 0.00 0.00 0.00 0.00 53.44 51.95 1x81 n ALA 322 Cb 0.07 -1.02 -0.02 0.00 0.00 0.00 0.00 19.45 18.48 1x81 n ALA 322 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1x81 s LEU 323 N -1.49 4.06 0.52 0.00 1.43 -1.25 -5.01 118.68 116.94 1x81 s LEU 323 Ca 0.40 1.23 -0.19 0.00 -1.03 0.00 0.00 54.13 54.54 1x81 s LEU 323 Cb 0.25 -3.48 -0.11 0.00 0.03 0.00 0.00 46.19 42.89 1x81 s LEU 323 CO 0.20 -0.69 0.40 -0.24 0.23 0.00 0.00 176.35 176.24 1x81 n SER 324 N 6.40 -1.53 -0.03 2.29 2.88 -1.26 -4.87 113.62 117.49 1x81 n SER 324 Ca 0.11 0.77 0.09 0.00 -1.33 0.00 0.00 58.87 58.51 1x81 n SER 324 Cb 0.47 -1.09 -0.10 0.00 -0.75 0.00 0.00 64.21 62.73 1x81 n SER 324 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1x81 n MET 325 N 0.44 0.60 -0.00 -1.46 0.00 -1.26 -4.52 117.12 110.91 1x81 n MET 325 Ca 0.11 -0.06 0.04 0.00 0.00 0.00 0.00 57.70 57.78 1x81 n MET 325 Cb 0.45 -1.42 -0.05 0.00 0.00 0.00 0.00 33.22 32.20 1x81 n MET 325 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 1x81 n SER 326 N -1.37 1.03 -3.86 7.83 3.41 -1.26 -4.75 113.62 114.65 1x81 n SER 326 Ca 0.04 -0.52 -0.09 0.00 -0.26 0.00 0.00 58.87 58.04 1x81 n SER 326 Cb 0.31 1.09 -0.07 0.00 -0.26 0.00 0.00 64.21 65.28 1x81 n SER 326 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1x81 s HIS 327 N -1.94 0.15 1.02 7.33 3.76 -1.26 -4.75 115.29 119.60 1x81 s HIS 327 Ca 0.02 -0.57 -0.17 0.00 -0.15 0.00 0.00 55.06 54.19 1x81 s HIS 327 Cb 0.06 -0.06 0.22 0.00 1.11 0.00 0.00 32.58 33.90 1x81 s HIS 327 CO 0.33 -0.53 1.25 -1.58 -0.85 0.00 0.00 174.74 173.35 1x81 s TRP 328 N -3.76 1.38 -0.42 1.40 0.23 -1.26 -4.64 118.94 111.87 1x81 s TRP 328 Ca 0.04 0.42 0.04 0.00 -2.03 0.00 0.00 56.10 54.57 1x81 s TRP 328 Cb 0.04 -3.86 0.63 0.00 0.03 0.00 0.00 33.47 30.31 1x81 s TRP 328 CO -0.10 -2.96 1.86 -0.12 0.96 0.00 0.00 176.95 176.58 1x81 n MET 329 N -4.04 2.24 -4.26 4.98 1.56 -1.26 -4.89 117.12 111.45 1x81 n MET 329 Ca 0.14 -2.82 -0.15 0.00 -0.27 0.00 0.00 57.70 54.60 1x81 n MET 329 Cb 0.59 -2.11 -0.10 0.00 2.15 0.00 0.00 33.22 33.76 1x81 n MET 329 CO 0.00 0.00 0.00 -0.59 -0.73 0.00 0.00 175.97 174.65 1x81 s PHE 330 N -3.08 1.33 -0.52 1.12 -0.71 -1.26 -4.91 117.98 109.95 1x81 s PHE 330 Ca 0.53 -0.73 -0.27 0.00 -1.04 0.00 0.00 56.93 55.42 1x81 s PHE 330 Cb 0.45 -0.66 -0.01 0.00 -1.21 0.00 0.00 43.02 41.58 1x81 s PHE 330 CO 0.10 0.12 1.70 -1.58 -1.34 0.00 0.00 175.22 174.22 1x81 s HIS 331 N -3.24 1.91 -0.01 3.49 5.65 -1.26 -4.83 115.29 116.99 1x81 s HIS 331 Ca 0.17 0.65 -0.21 0.00 0.25 0.00 0.00 55.06 55.92 1x81 s HIS 331 Cb 0.02 -4.20 -0.23 0.00 -1.18 0.00 0.00 32.58 26.99 1x81 s HIS 331 CO 0.01 -2.36 1.09 1.96 -0.65 0.00 0.00 174.74 174.80 1x81 h GLN 332 N 13.14 0.35 -0.49 2.88 4.20 -1.93 -2.92 115.11 130.34 1x81 h GLN 332 Ca -0.28 -0.36 0.10 0.00 0.06 0.00 0.00 58.65 58.16 1x81 h GLN 332 Cb 1.14 0.10 -0.08 0.00 0.30 0.00 0.00 27.48 28.94 1x81 h GLN 332 CO 1.16 1.04 -0.03 0.37 -0.67 0.00 0.00 178.83 180.69 1x81 h GLN 333 N -0.20 0.08 -0.45 1.46 4.15 -1.88 -0.98 115.11 117.29 1x81 h GLN 333 Ca -0.06 -0.00 -0.09 0.00 0.77 0.00 0.00 58.65 59.27 1x81 h GLN 333 Cb 1.20 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.86 1x81 h GLN 333 CO 0.10 0.05 -0.07 0.00 -1.93 0.00 0.00 178.83 176.98 1x81 h ALA 334 N 1.45 1.03 -0.17 3.38 0.00 -1.89 -0.61 119.26 122.45 1x81 h ALA 334 Ca 0.24 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1x81 h ALA 334 Cb 0.37 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1x81 h ALA 334 CO -0.43 0.59 -0.10 1.25 0.00 0.00 0.00 179.25 180.56 1x81 h LEU 335 N 0.71 0.38 -0.56 0.00 5.85 -1.23 -2.41 115.31 118.04 1x81 h LEU 335 Ca 0.13 -0.42 -0.02 0.00 0.84 0.00 0.00 57.88 58.40 1x81 h LEU 335 Cb 0.54 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.44 1x81 h LEU 335 CO 0.03 0.72 0.26 1.56 -0.34 0.00 0.00 178.44 180.68 1x81 h GLN 336 N 0.04 0.81 0.00 1.25 4.20 -1.12 0.01 115.11 120.30 1x81 h GLN 336 Ca 0.04 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.62 1x81 h GLN 336 Cb 0.58 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.22 1x81 h GLN 336 CO 0.03 0.67 0.00 0.93 -0.67 0.00 0.00 178.83 179.79 1x81 h GLU 337 N 0.76 0.00 0.00 1.46 5.08 -1.05 -1.23 114.58 119.61 1x81 h GLU 337 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1x81 h GLU 337 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1x81 h GLU 337 CO -0.02 0.00 -0.36 -0.92 -1.00 0.00 0.00 179.01 176.71 1x81 h TYR 338 N 0.00 0.00 -0.84 4.33 3.20 -0.51 -3.16 116.97 119.98 1x81 h TYR 338 Ca 0.00 0.00 0.16 0.00 3.14 0.00 0.00 58.73 62.03 1x81 h TYR 338 Cb 0.00 0.00 -0.10 0.00 1.54 0.00 0.00 36.73 38.17 1x81 h TYR 338 CO 0.00 0.00 0.41 0.82 -1.64 0.00 0.00 178.16 177.75 1x81 h ILE 339 N -0.89 0.68 0.00 1.81 2.04 -1.17 0.32 117.51 120.29 1x81 h ILE 339 Ca 0.00 -0.19 -0.11 0.00 1.00 0.00 0.00 64.86 65.56 1x81 h ILE 339 Cb 0.36 0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.49 1x81 h ILE 339 CO 0.00 0.10 -0.53 -0.07 0.00 0.00 0.00 178.15 177.65 1x81 h LEU 340 N 0.56 0.00 0.00 1.44 3.38 -1.42 -3.06 115.31 116.21 1x81 h LEU 340 Ca 0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.44 1x81 h LEU 340 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1x81 h LEU 340 CO -0.40 0.53 -0.76 0.80 0.09 0.00 0.00 178.44 178.71 1x81 n MET 341 N -3.39 2.36 0.00 1.13 1.56 -0.60 -4.67 117.12 113.52 1x81 n MET 341 Ca 0.01 -0.02 0.00 0.00 -0.27 0.00 0.00 57.70 57.42 1x81 n MET 341 Cb 0.67 -1.14 0.00 0.00 2.15 0.00 0.00 33.22 34.90 1x81 n MET 341 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1x81 s GLN 344 N -1.00 4.27 0.06 0.00 -0.21 -1.25 0.24 119.66 121.77 1x81 s GLN 344 Ca 0.07 0.52 -0.18 0.00 0.02 0.00 0.00 55.36 55.79 1x81 s GLN 344 Cb 0.06 -3.51 -0.06 0.00 1.00 0.00 0.00 33.01 30.49 1x81 s GLN 344 CO 0.16 -0.05 0.53 0.00 -2.12 0.00 0.00 175.29 173.81 1x81 h PRO 346 N 4.47 0.02 -0.94 0.00 0.11 -1.97 -1.53 132.00 132.16 1x81 h PRO 346 Ca -0.50 -0.00 0.25 0.00 0.11 0.00 0.00 66.00 65.86 1x81 h PRO 346 Cb 1.21 -0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.19 1x81 h PRO 346 CO 0.63 0.01 0.45 0.00 -0.21 0.00 0.00 178.00 178.89 1x81 h ALA 347 N 1.11 1.61 0.00 -0.75 0.00 -1.95 -3.46 119.26 115.83 1x81 h ALA 347 Ca 0.06 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1x81 h ALA 347 Cb 0.08 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1x81 h ALA 347 CO -0.11 -0.40 0.00 0.41 0.00 0.00 0.00 179.25 179.15 1x81 n GLY 348 N -1.33 2.30 0.89 0.00 0.00 -0.57 -4.65 105.19 101.83 1x81 n GLY 348 Ca 0.25 -1.78 0.11 0.00 0.00 0.00 0.00 46.02 44.61 1x81 n GLY 348 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x81 n GLY 349 N -1.94 -2.53 3.44 -0.02 0.00 -1.26 -4.27 105.19 98.60 1x81 n GLY 349 Ca 0.00 -1.24 -0.25 0.00 0.00 0.00 0.00 46.02 44.53 1x81 n GLY 349 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x81 s LEU 350 N -6.31 2.51 0.61 0.99 1.02 -1.26 -2.51 118.68 113.73 1x81 s LEU 350 Ca 0.00 -0.95 0.04 0.00 0.02 0.00 0.00 54.13 53.24 1x81 s LEU 350 Cb 0.00 -1.11 0.08 0.00 0.02 0.00 0.00 46.19 45.19 1x81 s LEU 350 CO 0.00 0.07 0.84 -0.76 0.02 0.00 0.00 176.35 176.51 1x81 s LEU 351 N -3.10 3.15 0.00 1.79 1.43 0.66 -3.39 118.68 119.21 1x81 s LEU 351 Ca 0.25 -0.49 0.00 0.00 -1.03 0.00 0.00 54.13 52.87 1x81 s LEU 351 Cb -0.06 -2.08 0.00 0.00 0.03 0.00 0.00 46.19 44.08 1x81 s LEU 351 CO 0.12 -1.44 0.08 -0.67 0.23 0.00 0.00 176.35 174.67 1x81 n ASP 352 N -2.43 0.00 -4.31 2.29 -0.08 -1.26 -4.10 116.55 106.66 1x81 n ASP 352 Ca 0.13 0.08 -0.16 0.00 -1.51 0.00 0.00 54.79 53.33 1x81 n ASP 352 Cb 0.61 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.96 1x81 n ASP 352 CO 0.00 0.00 0.00 -1.59 0.12 0.00 0.00 177.20 175.73 1x81 s LYS 353 N -0.15 1.30 -0.29 -0.67 -2.85 -1.26 -0.58 119.74 115.23 1x81 s LYS 353 Ca 0.00 -1.65 -0.42 0.00 -1.00 0.00 0.00 55.97 52.89 1x81 s LYS 353 Cb 0.00 -0.49 -0.18 0.00 -2.06 0.00 0.00 37.83 35.10 1x81 s LYS 353 CO 0.00 -0.13 1.58 -2.30 0.10 0.00 0.00 175.35 174.60 1x81 n PRO 354 N -0.38 0.61 -2.26 1.78 -0.02 -1.21 -2.93 135.00 130.59 1x81 n PRO 354 Ca -0.05 0.22 -0.05 0.00 -2.02 0.00 0.00 63.50 61.61 1x81 n PRO 354 Cb 0.64 -1.82 0.02 0.00 -0.02 0.00 0.00 33.50 32.33 1x81 n PRO 354 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1x81 n GLY 355 N 3.68 0.25 0.00 -1.23 0.00 -1.26 -5.00 105.19 101.63 1x81 n GLY 355 Ca 0.27 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1x81 n GLY 355 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1x81 n LYS 356 N -1.93 0.65 -0.06 1.61 3.00 -1.15 -5.10 118.16 115.18 1x81 n LYS 356 Ca -0.06 -0.67 0.00 0.00 -0.00 0.00 0.00 58.31 57.58 1x81 n LYS 356 Cb 0.54 -0.73 0.00 0.00 0.00 0.00 0.00 35.03 34.84 1x81 n LYS 356 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1x81 n SER 357 N -0.14 -2.24 -4.76 3.14 7.64 -1.26 -4.76 113.62 111.25 1x81 n SER 357 Ca 0.00 0.04 -0.41 0.00 1.01 0.00 0.00 58.87 59.52 1x81 n SER 357 Cb 0.29 0.80 -0.03 0.00 -1.01 0.00 0.00 64.21 64.26 1x81 n SER 357 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1x81 s ARG 358 N -3.96 4.47 -0.23 1.43 1.70 -1.26 -4.63 118.95 116.47 1x81 s ARG 358 Ca 0.00 2.02 -0.15 0.00 -0.47 0.00 0.00 55.73 57.14 1x81 s ARG 358 Cb 0.00 -3.15 0.07 0.00 -0.57 0.00 0.00 34.95 31.30 1x81 s ARG 358 CO 0.00 -0.06 0.57 0.16 -1.08 0.00 0.00 175.30 174.88 1x81 s ASP 359 N -0.40 -0.71 0.39 -2.89 1.47 -1.26 -5.03 116.67 108.25 1x81 s ASP 359 Ca 0.49 1.22 0.03 0.00 1.18 0.00 0.00 52.55 55.47 1x81 s ASP 359 Cb -0.36 1.13 0.16 0.00 -0.34 0.00 0.00 42.92 43.51 1x81 s ASP 359 CO 0.45 -0.21 0.91 -0.26 0.68 0.00 0.00 175.17 176.74 1x81 h PHE 360 N 6.58 0.00 0.01 2.11 0.04 -1.96 0.10 116.94 123.82 1x81 h PHE 360 Ca -0.32 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.45 1x81 h PHE 360 Cb 1.20 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.35 1x81 h PHE 360 CO 0.21 0.00 -0.00 -0.92 -0.60 0.00 0.00 178.31 176.99 1x81 h TYR 361 N 0.00 -0.01 -0.39 -0.55 3.20 -1.96 -3.23 116.97 114.04 1x81 h TYR 361 Ca 0.00 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.83 1x81 h TYR 361 Cb 1.42 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.67 1x81 h TYR 361 CO 0.00 -0.00 0.09 0.45 -1.64 0.00 0.00 178.16 177.06 1x81 h HIS 362 N -0.59 0.58 -0.04 -3.82 -0.00 -1.38 -0.84 115.15 109.07 1x81 h HIS 362 Ca -0.00 -0.04 0.01 0.00 -0.00 0.00 0.00 60.37 60.34 1x81 h HIS 362 Cb 0.01 -0.18 -0.00 0.00 -0.00 0.00 0.00 27.41 27.24 1x81 h HIS 362 CO 0.00 0.51 0.56 1.15 -0.00 0.00 0.00 177.93 180.15 1x81 h THR 363 N 0.56 0.02 0.00 2.45 2.02 -0.89 -0.96 112.91 116.12 1x81 h THR 363 Ca 0.13 0.00 -0.46 0.00 0.77 0.00 0.00 66.41 66.85 1x81 h THR 363 Cb 0.22 0.45 -0.07 0.00 -1.74 0.00 0.00 68.15 67.01 1x81 h THR 363 CO -0.00 0.00 -2.54 0.00 0.37 0.00 0.00 175.52 173.34 1x81 n TYR 365 N -4.13 0.00 -0.06 0.00 4.01 -0.66 -1.01 117.16 115.32 1x81 n TYR 365 Ca -0.54 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.09 1x81 n TYR 365 Cb 0.90 -0.26 -0.15 0.00 -0.31 0.00 0.00 39.34 39.53 1x81 n TYR 365 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1x81 h LEU 367 N 0.01 0.00 0.21 0.00 3.38 -1.67 -1.41 115.31 115.82 1x81 h LEU 367 Ca -0.42 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.21 1x81 h LEU 367 Cb 2.09 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.86 1x81 h LEU 367 CO 0.05 0.33 -1.61 0.28 0.09 0.00 0.00 178.44 177.58 1x81 h SER 368 N 0.00 0.70 -0.29 -0.43 0.02 -1.20 -2.93 113.55 109.43 1x81 h SER 368 Ca -0.00 -0.89 -0.16 0.00 -0.84 0.00 0.00 61.79 59.90 1x81 h SER 368 Cb 1.24 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.55 1x81 h SER 368 CO 0.04 1.72 -0.43 1.23 -1.14 0.00 0.00 176.83 178.26 1x81 h GLY 369 N 0.54 0.93 0.92 -3.77 0.00 -1.52 -1.64 103.07 98.52 1x81 h GLY 369 Ca -0.30 -0.98 0.01 0.00 0.00 0.00 0.00 47.33 46.07 1x81 h GLY 369 CO 0.22 0.88 0.10 -2.00 0.00 0.00 0.00 176.54 175.75 1x81 h LEU 370 N 0.68 0.16 -0.86 3.11 5.85 -1.36 0.14 115.31 123.03 1x81 h LEU 370 Ca 0.05 0.01 0.10 0.00 0.84 0.00 0.00 57.88 58.88 1x81 h LEU 370 Cb 1.01 -0.02 -0.08 0.00 0.37 0.00 0.00 40.66 41.95 1x81 h LEU 370 CO 0.10 0.12 0.50 -1.28 -0.34 0.00 0.00 178.44 177.54 1x81 h SER 371 N 0.22 0.71 0.10 1.25 0.87 -1.39 0.17 113.55 115.49 1x81 h SER 371 Ca 0.08 0.05 -0.09 0.00 -1.23 0.00 0.00 61.79 60.60 1x81 h SER 371 Cb 0.02 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 61.88 1x81 h SER 371 CO -0.06 0.39 -0.30 0.40 -0.53 0.00 0.00 176.83 176.74 1x81 h ILE 372 N 0.82 1.26 -0.00 2.23 1.08 -0.44 -1.53 117.51 120.94 1x81 h ILE 372 Ca 0.42 -1.27 0.00 0.00 -0.39 0.00 0.00 64.86 63.62 1x81 h ILE 372 Cb 0.40 1.47 0.00 0.00 -3.07 0.00 0.00 36.82 35.63 1x81 h ILE 372 CO -0.26 0.39 -0.08 0.00 -0.69 0.00 0.00 178.15 177.51 1x81 n ALA 373 N -2.48 2.66 0.20 1.87 0.00 0.45 -3.49 120.51 119.72 1x81 n ALA 373 Ca -0.01 -0.21 0.02 0.00 0.00 0.00 0.00 53.44 53.24 1x81 n ALA 373 Cb 0.40 -1.39 -0.03 0.00 0.00 0.00 0.00 19.45 18.43 1x81 n ALA 373 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1x81 n GLN 374 N -1.13 4.29 -4.08 0.00 6.02 -0.30 -4.73 117.38 117.45 1x81 n GLN 374 Ca 0.14 -0.01 -0.32 0.00 -0.01 0.00 0.00 57.00 56.79 1x81 n GLN 374 Cb 0.27 -0.82 -0.15 0.00 1.02 0.00 0.00 30.24 30.56 1x81 n GLN 374 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 1x81 s HIS 375 N -1.66 3.15 -0.02 1.08 3.76 -0.60 -2.29 115.29 118.71 1x81 s HIS 375 Ca 0.01 -2.15 0.08 0.00 -0.15 0.00 0.00 55.06 52.84 1x81 s HIS 375 Cb 0.04 -1.93 -0.02 0.00 1.11 0.00 0.00 32.58 31.78 1x81 s HIS 375 CO 0.21 -0.86 -0.24 0.12 -0.85 0.00 0.00 174.74 173.12 1x81 s PHE 376 N 1.15 2.38 -0.29 1.40 2.19 -1.12 -4.82 117.98 118.86 1x81 s PHE 376 Ca -0.05 -0.40 -0.23 0.00 0.33 0.00 0.00 56.93 56.57 1x81 s PHE 376 Cb -0.18 -1.51 0.18 0.00 -1.31 0.00 0.00 43.02 40.19 1x81 s PHE 376 CO -0.07 0.00 1.30 0.20 1.83 0.00 0.00 175.22 178.48 1x81 s GLY 377 N -0.67 0.26 -0.28 13.12 0.00 -1.26 -1.17 107.32 117.32 1x81 s GLY 377 Ca 0.10 3.37 0.02 0.00 0.00 0.00 0.00 44.72 48.21 1x81 s GLY 377 CO -0.01 2.07 0.45 -0.45 0.00 0.00 0.00 173.10 175.17 1x81 s SER 378 N 0.29 -0.12 0.33 1.64 0.15 -1.08 -5.01 113.70 109.90 1x81 s SER 378 Ca 0.03 -0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.59 1x81 s SER 378 Cb -0.05 1.35 0.00 0.00 -1.71 0.00 0.00 66.02 65.61 1x81 s SER 378 CO -0.13 -0.33 0.00 0.61 1.20 0.00 0.00 173.24 174.59 1x81 n GLY 379 N 5.37 0.40 0.21 9.45 0.00 -1.26 -3.64 105.19 115.72 1x81 n GLY 379 Ca 0.01 -0.93 -0.08 0.00 0.00 0.00 0.00 46.02 45.01 1x81 n GLY 379 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x81 h ALA 380 N 0.00 0.77 -2.70 4.61 0.00 -2.01 -3.44 119.26 116.49 1x81 h ALA 380 Ca 0.00 -0.49 -0.56 0.00 0.00 0.00 0.00 54.91 53.86 1x81 h ALA 380 Cb 0.00 -0.09 0.11 0.00 0.00 0.00 0.00 17.79 17.81 1x81 h ALA 380 CO 0.00 0.68 0.65 -1.33 0.00 0.00 0.00 179.25 179.25 1x81 n MET 381 N -3.97 2.39 -3.30 0.00 2.00 -1.24 -4.99 117.12 108.02 1x81 n MET 381 Ca -0.03 0.84 -0.09 0.00 0.00 0.00 0.00 57.70 58.42 1x81 n MET 381 Cb 0.58 -2.50 -0.05 0.00 0.00 0.00 0.00 33.22 31.25 1x81 n MET 381 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 1x81 s LEU 382 N -1.32 -0.70 -0.21 4.03 1.43 -1.26 -2.63 118.68 118.01 1x81 s LEU 382 Ca 0.56 -1.11 0.00 0.00 -1.03 0.00 0.00 54.13 52.55 1x81 s LEU 382 Cb -0.53 1.15 0.03 0.00 0.03 0.00 0.00 46.19 46.87 1x81 s LEU 382 CO 0.61 -0.24 -0.14 -2.28 0.23 0.00 0.00 176.35 174.53 1x81 s HIS 383 N 1.75 2.95 0.11 0.29 2.46 -0.32 -4.98 115.29 117.54 1x81 s HIS 383 Ca 0.15 -1.68 0.03 0.00 0.47 0.00 0.00 55.06 54.03 1x81 s HIS 383 Cb -0.11 -1.97 -0.04 0.00 -0.13 0.00 0.00 32.58 30.33 1x81 s HIS 383 CO -0.09 -0.78 0.13 -0.51 -2.47 0.00 0.00 174.74 171.03 1x81 s ASP 384 N 1.28 5.71 -0.10 9.88 -0.00 -1.26 -2.80 116.67 129.38 1x81 s ASP 384 Ca 0.02 0.01 0.02 0.00 -0.00 0.00 0.00 52.55 52.60 1x81 s ASP 384 Cb -0.15 -1.57 0.01 0.00 -0.00 0.00 0.00 42.92 41.21 1x81 s ASP 384 CO -0.09 0.13 -0.16 -0.69 -0.00 0.00 0.00 175.17 174.36 1x81 s VAL 385 N -1.54 1.49 -0.58 -1.27 1.01 -0.97 -5.01 120.40 113.53 1x81 s VAL 385 Ca 0.31 -0.66 0.04 0.00 0.00 0.00 0.00 61.98 61.67 1x81 s VAL 385 Cb -0.12 -1.35 0.17 0.00 0.00 0.00 0.00 36.38 35.08 1x81 s VAL 385 CO 0.24 0.44 0.41 -0.69 0.00 0.00 0.00 175.10 175.50 1x81 s VAL 386 N 0.80 1.93 0.68 2.92 1.01 -1.26 -4.21 120.40 122.27 1x81 s VAL 386 Ca -0.11 -3.57 -0.17 0.00 0.00 0.00 0.00 61.98 58.13 1x81 s VAL 386 Cb -0.16 -2.29 0.01 0.00 0.00 0.00 0.00 36.38 33.94 1x81 s VAL 386 CO 0.02 -1.06 1.27 -0.04 0.00 0.00 0.00 175.10 175.29 1x81 s MET 387 N -0.77 2.36 2.04 2.72 -1.94 -1.26 -4.64 119.30 117.81 1x81 s MET 387 Ca 0.26 1.99 0.00 0.00 -1.71 0.00 0.00 55.69 56.24 1x81 s MET 387 Cb -0.04 -1.83 0.00 0.00 2.01 0.00 0.00 34.83 34.97 1x81 s MET 387 CO -0.16 -1.73 0.00 0.41 -0.01 0.00 0.00 175.02 173.54 1x81 n GLY 388 N 0.80 0.03 3.84 -0.03 0.00 -1.26 -4.86 105.19 103.71 1x81 n GLY 388 Ca 0.15 -1.33 -0.33 0.00 0.00 0.00 0.00 46.02 44.51 1x81 n GLY 388 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1x81 s VAL 389 N 0.00 4.68 -1.61 1.61 -7.23 -0.68 -4.90 120.40 112.27 1x81 s VAL 389 Ca 0.00 0.97 0.02 0.00 -1.81 0.00 0.00 61.98 61.16 1x81 s VAL 389 Cb 0.00 -3.66 0.04 0.00 0.56 0.00 0.00 36.38 33.32 1x81 s VAL 389 CO 0.00 -0.10 0.78 -2.65 -0.31 0.00 0.00 175.10 172.82 1x81 n PRO 390 N -0.13 0.04 0.00 4.82 -0.02 -1.26 -0.95 135.00 137.50 1x81 n PRO 390 Ca 0.02 0.18 0.14 0.00 -2.02 0.00 0.00 63.50 61.82 1x81 n PRO 390 Cb 0.53 -1.50 0.52 0.00 -0.02 0.00 0.00 33.50 33.02 1x81 n PRO 390 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1x81 n GLU 391 N -1.20 0.77 -0.02 -0.52 4.71 -1.26 -3.33 120.64 119.80 1x81 n GLU 391 Ca 0.01 -0.35 0.13 0.00 -0.01 0.00 0.00 57.16 56.94 1x81 n GLU 391 Cb 0.01 -1.49 0.62 0.00 -1.01 0.00 0.00 31.44 29.56 1x81 n GLU 391 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1x81 n ASN 392 N -0.81 0.86 -4.59 1.62 3.02 -0.13 -4.82 115.26 110.41 1x81 n ASN 392 Ca 0.14 -1.39 -0.42 0.00 -0.03 0.00 0.00 54.58 52.88 1x81 n ASN 392 Cb 0.31 -0.02 -0.03 0.00 -0.61 0.00 0.00 39.78 39.43 1x81 n ASN 392 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1x81 s VAL 393 N -1.96 3.22 0.67 2.41 1.01 -1.21 -4.94 120.40 119.61 1x81 s VAL 393 Ca 0.38 0.21 -0.06 0.00 0.00 0.00 0.00 61.98 62.51 1x81 s VAL 393 Cb 0.19 -3.33 0.05 0.00 0.00 0.00 0.00 36.38 33.29 1x81 s VAL 393 CO 0.31 -0.23 0.98 -0.76 0.00 0.00 0.00 175.10 175.40 1x81 s LEU 394 N 8.24 2.93 0.24 3.92 1.43 -1.26 -5.05 118.68 129.13 1x81 s LEU 394 Ca 0.90 0.53 -0.29 0.00 -1.03 0.00 0.00 54.13 54.24 1x81 s LEU 394 Cb -0.26 -3.24 -0.09 0.00 0.03 0.00 0.00 46.19 42.64 1x81 s LEU 394 CO 0.32 -1.44 0.93 -1.10 0.23 0.00 0.00 176.35 175.29 1x81 s GLN 395 N -5.17 4.82 0.60 1.70 -1.52 -1.03 -5.01 119.66 114.04 1x81 s GLN 395 Ca 0.58 1.45 -0.19 0.00 -1.95 0.00 0.00 55.36 55.26 1x81 s GLN 395 Cb -0.11 -3.24 -0.04 0.00 -0.22 0.00 0.00 33.01 29.40 1x81 s GLN 395 CO 0.45 0.51 1.12 -0.35 -0.25 0.00 0.00 175.29 176.77 1x81 n PRO 396 N 1.43 1.10 -3.85 2.91 -0.04 -1.26 -4.79 135.00 130.50 1x81 n PRO 396 Ca -0.02 0.42 -0.16 0.00 -0.04 0.00 0.00 63.50 63.71 1x81 n PRO 396 Cb 0.47 -2.33 -0.16 0.00 -0.04 0.00 0.00 33.50 31.44 1x81 n PRO 396 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1x81 s THR 397 N -1.43 0.05 0.06 0.52 -1.32 -1.26 -4.22 115.64 108.03 1x81 s THR 397 Ca 0.77 0.15 -0.31 0.00 -1.21 0.00 0.00 61.69 61.09 1x81 s THR 397 Cb -0.41 -0.16 -0.08 0.00 -1.51 0.00 0.00 72.50 70.34 1x81 s THR 397 CO 0.46 0.11 1.66 -2.28 -2.21 0.00 0.00 174.62 172.36 1x81 s HIS 398 N 0.99 2.35 0.48 9.09 2.46 -0.74 -4.84 115.29 125.08 1x81 s HIS 398 Ca -0.09 0.29 0.41 0.00 0.47 0.00 0.00 55.06 56.14 1x81 s HIS 398 Cb -0.13 -3.96 2.15 0.00 -0.13 0.00 0.00 32.58 30.51 1x81 s HIS 398 CO -0.02 -3.90 2.24 -1.00 -2.47 0.00 0.00 174.74 169.59 1x81 h PRO 399 N 8.50 0.00 0.04 2.88 0.13 -1.91 0.14 132.00 141.78 1x81 h PRO 399 Ca -0.42 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.37 1x81 h PRO 399 Cb 1.20 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.29 1x81 h PRO 399 CO 0.93 0.00 -1.89 0.28 -0.23 0.00 0.00 178.00 177.10 1x81 n VAL 400 N -2.98 1.60 0.88 1.56 0.31 -1.26 -4.50 118.33 113.95 1x81 n VAL 400 Ca -0.02 -0.35 0.10 0.00 -0.01 0.00 0.00 64.34 64.06 1x81 n VAL 400 Cb 0.10 -1.84 0.07 0.00 -0.91 0.00 0.00 33.84 31.26 1x81 n VAL 400 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1x81 n TYR 401 N -3.96 0.00 -4.20 3.52 4.01 -1.23 -4.98 117.16 110.32 1x81 n TYR 401 Ca -0.38 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.06 1x81 n TYR 401 Cb 0.87 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.83 1x81 n TYR 401 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1x81 n ASN 402 N 1.00 0.38 -4.01 7.72 5.15 0.48 -4.95 115.26 121.03 1x81 n ASN 402 Ca 0.12 -1.18 -0.08 0.00 -0.60 0.00 0.00 54.58 52.84 1x81 n ASN 402 Cb 0.51 -2.12 -0.10 0.00 -0.53 0.00 0.00 39.78 37.55 1x81 n ASN 402 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1x81 s ILE 403 N -4.19 0.18 -0.03 -1.44 -4.36 -1.25 -4.88 121.20 105.22 1x81 s ILE 403 Ca 0.04 -1.47 -0.36 0.00 -0.26 0.00 0.00 60.65 58.60 1x81 s ILE 403 Cb -0.02 -1.23 -0.18 0.00 1.25 0.00 0.00 42.46 42.28 1x81 s ILE 403 CO 0.96 -0.81 0.98 0.61 0.24 0.00 0.00 174.94 176.92 1x81 n GLY 404 N 0.37 -0.21 0.31 6.27 0.00 -1.26 -1.79 105.19 108.88 1x81 n GLY 404 Ca -0.16 0.69 0.21 0.00 0.00 0.00 0.00 46.02 46.75 1x81 n GLY 404 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1x81 h PRO 405 N 2.78 0.00 0.05 1.61 0.11 -1.89 -1.75 132.00 132.91 1x81 h PRO 405 Ca -0.44 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.49 1x81 h PRO 405 Cb 1.26 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.38 1x81 h PRO 405 CO 0.59 0.00 -0.70 0.38 -0.21 0.00 0.00 178.00 178.07 1x81 h ASP 406 N 0.00 0.53 -0.02 -2.05 2.03 -1.93 -3.26 116.42 111.72 1x81 h ASP 406 Ca 0.00 -0.82 -0.04 0.00 -0.73 0.00 0.00 57.03 55.44 1x81 h ASP 406 Cb 0.03 -0.17 -0.01 0.00 -0.83 0.00 0.00 39.33 38.36 1x81 h ASP 406 CO 0.00 1.29 -0.09 0.11 -1.03 0.00 0.00 179.24 179.52 1x81 h LYS 407 N -0.17 0.26 -0.33 4.15 1.79 -1.63 -1.62 116.57 119.01 1x81 h LYS 407 Ca -0.10 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.32 1x81 h LYS 407 Cb 1.44 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 32.04 1x81 h LYS 407 CO 0.13 0.36 0.21 0.28 -1.08 0.00 0.00 179.45 179.36 1x81 h VAL 408 N 0.25 1.10 0.47 0.50 2.07 -1.52 -0.24 116.25 118.88 1x81 h VAL 408 Ca 0.05 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 1x81 h VAL 408 Cb 0.32 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 1x81 h VAL 408 CO 0.02 0.09 -0.22 0.40 0.02 0.00 0.00 177.57 177.88 1x81 h ILE 409 N 0.45 0.54 -0.88 4.57 2.04 -1.49 -2.22 117.51 120.52 1x81 h ILE 409 Ca 0.12 -0.07 0.17 0.00 1.00 0.00 0.00 64.86 66.08 1x81 h ILE 409 Cb -0.03 0.57 -0.10 0.00 -0.74 0.00 0.00 36.82 36.52 1x81 h ILE 409 CO -0.03 0.01 0.45 1.56 0.00 0.00 0.00 178.15 180.15 1x81 h GLN 410 N -0.67 0.57 0.05 2.37 4.20 -1.13 -0.04 115.11 120.46 1x81 h GLN 410 Ca -0.06 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.61 1x81 h GLN 410 Cb 0.50 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.15 1x81 h GLN 410 CO 0.11 0.38 -0.03 0.00 -0.67 0.00 0.00 178.83 178.62 1x81 h ALA 411 N 1.61 -0.98 0.17 3.87 0.00 -0.74 -2.17 119.26 121.01 1x81 h ALA 411 Ca 0.50 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.40 1x81 h ALA 411 Cb 0.79 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 1x81 h ALA 411 CO -0.41 -0.98 -0.46 1.79 0.00 0.00 0.00 179.25 179.19 1x81 h THR 412 N -0.07 0.00 -1.74 0.00 1.35 -1.28 -0.42 112.91 110.76 1x81 h THR 412 Ca -0.01 0.00 0.51 0.00 -0.55 0.00 0.00 66.41 66.36 1x81 h THR 412 Cb 0.05 0.00 -0.07 0.00 -1.73 0.00 0.00 68.15 66.40 1x81 h THR 412 CO 0.01 0.00 1.25 0.74 -0.25 0.00 0.00 175.52 177.27 1x81 h THR 413 N -0.71 0.12 0.05 6.82 2.02 -1.10 1.09 112.91 121.20 1x81 h THR 413 Ca -0.02 -0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.16 1x81 h THR 413 Cb 0.69 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.21 1x81 h THR 413 CO -0.22 0.00 -0.02 -0.74 0.37 0.00 0.00 175.52 174.91 1x81 h HIS 414 N 0.00 -0.06 0.00 3.16 6.17 -0.52 -3.37 115.15 120.54 1x81 h HIS 414 Ca 0.84 -0.00 -0.03 0.00 0.71 0.00 0.00 60.37 61.89 1x81 h HIS 414 Cb 3.33 0.02 -0.00 0.00 2.52 0.00 0.00 27.41 33.27 1x81 h HIS 414 CO -0.00 -0.01 -0.14 0.74 0.71 0.00 0.00 177.93 179.22 1x81 h PHE 415 N -1.02 0.00 0.00 5.26 0.04 0.77 -3.13 116.94 118.87 1x81 h PHE 415 Ca -0.01 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.67 1x81 h PHE 415 Cb 0.07 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.19 1x81 h PHE 415 CO 0.01 0.14 -0.14 1.28 -0.60 0.00 0.00 178.31 179.00 1x81 n LEU 416 N -3.54 4.38 -2.54 1.54 4.77 0.35 -2.69 117.00 119.27 1x81 n LEU 416 Ca -0.01 -2.41 -0.01 0.00 -0.03 0.00 0.00 56.01 53.54 1x81 n LEU 416 Cb 0.29 -1.07 0.08 0.00 -2.33 0.00 0.00 43.42 40.38 1x81 n LEU 416 CO 0.30 1.12 0.34 0.00 -1.33 0.00 0.00 177.39 177.82 1x81 n GLN 417 N 2.16 1.32 0.00 3.23 6.02 -1.18 -4.96 117.38 123.97 1x81 n GLN 417 Ca 0.20 -2.10 0.00 0.00 -0.01 0.00 0.00 57.00 55.10 1x81 n GLN 417 Cb 0.61 -0.35 0.00 0.00 1.02 0.00 0.00 30.24 31.53 1x81 n GLN 417 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68