#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sui n SER 22 N 0.00 0.80 0.01 3.14 3.41 -1.26 -5.05 113.62 114.68 1sui n SER 22 Ca 0.00 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.72 1sui n SER 22 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 1sui n SER 22 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1sui n LEU 23 N 0.00 0.64 -4.71 1.04 4.77 -1.26 -4.96 117.00 112.51 1sui n LEU 23 Ca 0.00 -0.17 -0.29 0.00 -0.03 0.00 0.00 56.01 55.52 1sui n LEU 23 Cb 0.00 -0.06 0.18 0.00 -2.33 0.00 0.00 43.42 41.21 1sui n LEU 23 CO 0.00 0.11 0.68 -0.76 -1.33 0.00 0.00 177.39 176.09 1sui s LEU 24 N -3.66 1.55 0.13 2.23 1.43 -1.26 -4.97 118.68 114.14 1sui s LEU 24 Ca 0.04 0.87 -0.19 0.00 -1.03 0.00 0.00 54.13 53.81 1sui s LEU 24 Cb 0.15 -2.95 -0.01 0.00 0.03 0.00 0.00 46.19 43.41 1sui s LEU 24 CO 0.83 -3.21 1.71 1.56 0.23 0.00 0.00 176.35 177.47 1sui h GLN 25 N -1.95 0.04 -5.07 1.70 4.20 -1.99 -3.46 115.11 108.57 1sui h GLN 25 Ca -0.50 -0.00 -0.54 0.00 0.06 0.00 0.00 58.65 57.67 1sui h GLN 25 Cb 1.31 -0.01 -0.13 0.00 0.30 0.00 0.00 27.48 28.95 1sui h GLN 25 CO 0.51 0.03 -0.53 -1.54 -0.67 0.00 0.00 178.83 176.62 1sui s SER 26 N -5.23 2.71 0.08 1.46 1.04 -1.26 -5.04 113.70 107.47 1sui s SER 26 Ca -0.13 -1.61 0.13 0.00 0.48 0.00 0.00 55.95 54.82 1sui s SER 26 Cb 0.11 0.39 -0.14 0.00 0.10 0.00 0.00 66.02 66.48 1sui s SER 26 CO 0.69 -0.87 0.99 0.44 0.98 0.00 0.00 173.24 175.47 1sui h ASP 27 N 1.85 0.00 -0.30 7.02 3.32 -1.98 -3.21 116.42 123.11 1sui h ASP 27 Ca -0.37 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.51 1sui h ASP 27 Cb 1.27 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.82 1sui h ASP 27 CO 0.60 0.77 -0.50 0.00 -1.72 0.00 0.00 179.24 178.39 1sui h ALA 28 N 1.23 0.51 -0.71 3.45 0.00 -1.98 0.26 119.26 122.03 1sui h ALA 28 Ca -0.14 -0.50 -0.02 0.00 0.00 0.00 0.00 54.91 54.26 1sui h ALA 28 Cb 1.71 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.37 1sui h ALA 28 CO 0.08 0.68 0.38 1.25 0.00 0.00 0.00 179.25 181.63 1sui h LEU 29 N 0.69 0.89 -0.60 0.00 5.85 -1.97 0.89 115.31 121.06 1sui h LEU 29 Ca 0.03 -0.10 -0.08 0.00 0.84 0.00 0.00 57.88 58.57 1sui h LEU 29 Cb 1.10 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.88 1sui h LEU 29 CO 0.11 0.74 0.07 0.22 -0.34 0.00 0.00 178.44 179.25 1sui h TYR 30 N 0.97 1.09 -0.44 1.25 3.20 -1.52 -2.18 116.97 119.35 1sui h TYR 30 Ca 0.25 -0.16 -0.08 0.00 3.14 0.00 0.00 58.73 61.87 1sui h TYR 30 Cb 0.06 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.02 1sui h TYR 30 CO -0.00 0.94 -0.04 1.96 -1.64 0.00 0.00 178.16 179.38 1sui h GLN 31 N 0.92 0.81 -0.88 1.82 1.08 -0.11 -2.25 115.11 116.49 1sui h GLN 31 Ca 0.18 -0.28 0.16 0.00 -1.45 0.00 0.00 58.65 57.26 1sui h GLN 31 Cb 0.46 -0.06 -0.07 0.00 -0.05 0.00 0.00 27.48 27.76 1sui h GLN 31 CO 0.02 0.89 0.57 -0.92 -0.95 0.00 0.00 178.83 178.44 1sui h TYR 32 N 0.65 0.75 -0.36 2.96 3.20 0.11 1.27 116.97 125.55 1sui h TYR 32 Ca 0.12 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.90 1sui h TYR 32 Cb 0.56 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 1sui h TYR 32 CO 0.04 0.26 -0.20 0.82 -1.64 0.00 0.00 178.16 177.44 1sui h ILE 33 N 0.62 1.29 -0.02 1.81 2.04 -0.93 -2.57 117.51 119.74 1sui h ILE 33 Ca 0.45 -1.34 -0.15 0.00 1.00 0.00 0.00 64.86 64.82 1sui h ILE 33 Cb 0.81 1.37 0.01 0.00 -0.74 0.00 0.00 36.82 38.28 1sui h ILE 33 CO -0.20 0.44 -0.59 -0.07 0.00 0.00 0.00 178.15 177.73 1sui h LEU 34 N 0.56 0.56 0.01 1.44 3.38 -0.27 -1.22 115.31 119.77 1sui h LEU 34 Ca 0.08 -0.73 0.01 0.00 0.09 0.00 0.00 57.88 57.33 1sui h LEU 34 Cb 0.75 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 1sui h LEU 34 CO 0.06 1.21 -0.08 -0.33 0.09 0.00 0.00 178.44 179.39 1sui h GLU 35 N -0.05 -0.14 0.10 1.13 4.39 0.14 -0.49 114.58 119.67 1sui h GLU 35 Ca -0.07 0.01 -0.23 0.00 0.34 0.00 0.00 59.36 59.41 1sui h GLU 35 Cb 1.28 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.97 1sui h GLU 35 CO 0.12 -0.10 -1.15 1.79 -1.16 0.00 0.00 179.01 178.51 1sui h THR 36 N -0.15 1.20 0.11 1.13 1.35 -1.58 -3.39 112.91 111.58 1sui h THR 36 Ca 0.03 -2.41 -0.36 0.00 -0.55 0.00 0.00 66.41 63.11 1sui h THR 36 Cb 0.18 2.85 -0.02 0.00 -1.73 0.00 0.00 68.15 69.43 1sui h THR 36 CO -0.08 0.67 -2.01 -0.24 -0.25 0.00 0.00 175.52 173.61 1sui n SER 37 N -4.06 2.04 0.00 5.36 2.88 -0.48 -4.65 113.62 114.71 1sui n SER 37 Ca -0.22 0.20 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 1sui n SER 37 Cb 0.83 -0.79 0.00 0.00 -0.75 0.00 0.00 64.21 63.51 1sui n SER 37 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1sui n VAL 38 N -3.44 0.00 -0.32 2.46 0.31 -0.85 -4.40 118.33 112.08 1sui n VAL 38 Ca -0.32 0.16 0.18 0.00 -0.01 0.00 0.00 64.34 64.35 1sui n VAL 38 Cb 1.05 -0.74 0.35 0.00 -0.91 0.00 0.00 33.84 33.58 1sui n VAL 38 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 1sui h PHE 39 N 0.00 0.25 0.05 3.52 0.04 -1.35 0.25 116.94 119.70 1sui h PHE 39 Ca 0.00 0.06 0.01 0.00 2.80 0.00 0.00 57.97 60.83 1sui h PHE 39 Cb 0.00 0.05 -0.02 0.00 2.20 0.00 0.00 35.95 38.18 1sui h PHE 39 CO 0.00 -0.37 -0.22 -1.35 -0.60 0.00 0.00 178.31 175.76 1sui h PRO 40 N 0.07 -0.31 -0.61 1.51 0.11 -1.78 -2.82 132.00 128.17 1sui h PRO 40 Ca 0.63 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.77 1sui h PRO 40 Cb 1.40 0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.58 1sui h PRO 40 CO -0.81 -0.21 0.00 2.89 -0.21 0.00 0.00 178.00 179.66 1sui n ARG 41 N -3.72 2.98 -1.60 1.05 1.85 -1.06 -4.95 116.66 111.20 1sui n ARG 41 Ca -0.04 -2.15 -0.40 0.00 -1.00 0.00 0.00 57.85 54.26 1sui n ARG 41 Cb 0.17 -1.70 0.02 0.00 -1.05 0.00 0.00 32.46 29.90 1sui n ARG 41 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 1sui n GLU 42 N 0.85 1.17 -0.53 2.89 2.13 0.86 -4.92 120.64 123.08 1sui n GLU 42 Ca 0.19 0.43 -0.29 0.00 0.66 0.00 0.00 57.16 58.15 1sui n GLU 42 Cb 0.68 -2.03 0.24 0.00 0.27 0.00 0.00 31.44 30.59 1sui n GLU 42 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 1sui s HIS 43 N -1.37 1.34 -0.00 4.31 3.76 -1.26 -4.94 115.29 117.12 1sui s HIS 43 Ca 0.66 1.30 -0.30 0.00 -0.15 0.00 0.00 55.06 56.57 1sui s HIS 43 Cb -0.51 -3.13 -0.04 0.00 1.11 0.00 0.00 32.58 30.00 1sui s HIS 43 CO 0.54 -3.78 1.16 -1.83 -0.85 0.00 0.00 174.74 169.98 1sui s GLU 44 N -4.46 4.42 0.00 1.40 1.03 -1.26 -3.58 118.70 116.25 1sui s GLU 44 Ca 0.68 1.66 0.00 0.00 0.03 0.00 0.00 54.97 57.34 1sui s GLU 44 Cb -0.25 -3.46 0.00 0.00 -0.80 0.00 0.00 34.13 29.62 1sui s GLU 44 CO 0.64 -0.31 0.00 0.00 -1.33 0.00 0.00 175.26 174.26 1sui n ALA 45 N 4.50 0.00 0.18 -0.84 0.00 -1.26 -4.79 120.51 118.29 1sui n ALA 45 Ca 0.09 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.71 1sui n ALA 45 Cb 0.47 -0.01 0.80 0.00 0.00 0.00 0.00 19.45 20.72 1sui n ALA 45 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1sui h MET 46 N 1.73 0.00 0.00 0.00 2.86 -1.94 1.65 114.93 119.22 1sui h MET 46 Ca 0.00 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.47 1sui h MET 46 Cb 0.00 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.63 1sui h MET 46 CO 0.00 0.00 -0.99 -0.22 1.06 0.00 0.00 176.91 176.76 1sui h LYS 47 N 0.00 0.00 0.41 1.72 3.64 -1.87 -2.32 116.57 118.16 1sui h LYS 47 Ca 0.11 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.47 1sui h LYS 47 Cb 0.62 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1sui h LYS 47 CO -0.00 0.59 -0.20 0.93 -2.27 0.00 0.00 179.45 178.50 1sui h GLU 48 N 0.00 -0.53 -0.14 1.90 5.08 0.17 -1.72 114.58 119.34 1sui h GLU 48 Ca -0.07 0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.36 1sui h GLU 48 Cb 1.61 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.97 1sui h GLU 48 CO 0.08 -0.35 0.26 1.25 -1.00 0.00 0.00 179.01 179.24 1sui h LEU 49 N -0.83 0.00 0.00 1.33 5.85 0.15 0.14 115.31 121.94 1sui h LEU 49 Ca -0.06 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.52 1sui h LEU 49 Cb 0.42 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 1sui h LEU 49 CO 0.09 0.00 -1.08 -0.09 -0.34 0.00 0.00 178.44 177.02 1sui h ARG 50 N 0.00 0.00 -0.00 1.25 2.43 -1.37 -2.82 114.38 113.86 1sui h ARG 50 Ca 0.07 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1sui h ARG 50 Cb 0.58 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 1sui h ARG 50 CO -0.00 0.38 -0.29 0.39 -1.51 0.00 0.00 179.97 178.94 1sui n GLU 51 N -3.02 0.52 -0.02 0.20 1.02 0.37 -3.16 120.64 116.56 1sui n GLU 51 Ca -0.05 -0.28 -0.21 0.00 -0.02 0.00 0.00 57.16 56.60 1sui n GLU 51 Cb 0.80 -1.49 -0.13 0.00 -0.02 0.00 0.00 31.44 30.59 1sui n GLU 51 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1sui h VAL 52 N 0.67 1.05 0.00 2.62 2.07 -1.23 -3.28 116.25 118.16 1sui h VAL 52 Ca 0.00 -2.35 0.00 0.00 0.82 0.00 0.00 66.70 65.17 1sui h VAL 52 Cb 0.48 2.66 0.00 0.00 -1.52 0.00 0.00 31.29 32.91 1sui h VAL 52 CO 0.00 0.63 0.00 0.41 0.02 0.00 0.00 177.57 178.63 1sui n THR 53 N -4.06 1.25 0.46 2.57 -1.04 -1.07 0.20 114.28 112.59 1sui n THR 53 Ca -0.25 0.36 0.12 0.00 -2.04 0.00 0.00 64.05 62.24 1sui n THR 53 Cb 0.83 -1.24 0.12 0.00 -1.82 0.00 0.00 70.33 68.22 1sui n THR 53 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1sui h ALA 54 N 2.27 0.55 0.00 2.41 0.00 -1.61 -3.23 119.26 119.64 1sui h ALA 54 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1sui h ALA 54 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1sui h ALA 54 CO 0.00 0.00 -0.56 1.63 0.00 0.00 0.00 179.25 180.32 1sui n LYS 55 N -2.25 0.07 -1.72 0.00 5.02 0.13 -4.92 118.16 114.49 1sui n LYS 55 Ca 0.02 0.01 -0.43 0.00 -2.02 0.00 0.00 58.31 55.90 1sui n LYS 55 Cb 0.47 -1.54 -0.02 0.00 -0.02 0.00 0.00 35.03 33.92 1sui n LYS 55 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 1sui n HIS 56 N -1.63 2.65 0.01 2.13 -0.00 -1.05 -4.90 115.22 112.42 1sui n HIS 56 Ca 0.05 0.30 0.07 0.00 0.46 0.00 0.00 57.72 58.60 1sui n HIS 56 Cb 0.36 -2.56 0.48 0.00 -0.12 0.00 0.00 29.99 28.15 1sui n HIS 56 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1sui h PRO 57 N 4.64 0.42 0.00 1.57 0.13 -1.92 -3.09 132.00 133.75 1sui h PRO 57 Ca -0.46 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.63 1sui h PRO 57 Cb 1.24 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 32.27 1sui h PRO 57 CO 0.78 0.28 -1.07 0.91 -0.23 0.00 0.00 178.00 178.67 1sui n TRP 58 N -4.48 0.93 0.00 1.56 8.01 -1.26 -4.89 117.44 117.30 1sui n TRP 58 Ca 0.04 0.27 0.00 0.00 -1.31 0.00 0.00 57.50 56.50 1sui n TRP 58 Cb 0.15 -0.95 0.00 0.00 -2.01 0.00 0.00 31.31 28.51 1sui n TRP 58 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.69 176.77 1sui n ASN 59 N -2.67 0.00 0.00 -0.99 3.02 -1.17 -4.78 115.26 108.67 1sui n ASN 59 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.54 1sui n ASN 59 Cb 0.57 -1.12 0.00 0.00 -0.61 0.00 0.00 39.78 38.61 1sui n ASN 59 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sui n ILE 60 N -1.57 0.00 -3.08 2.41 0.13 -1.26 -4.71 119.36 111.28 1sui n ILE 60 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.65 1sui n ILE 60 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 38.80 1sui n ILE 60 CO 0.00 0.00 0.00 1.15 2.80 0.00 0.00 176.55 180.50 1sui n MET 61 N 0.00 0.00 -1.60 9.51 0.00 -1.26 -5.15 117.12 118.62 1sui n MET 61 Ca 0.00 0.00 -0.62 0.00 0.00 0.00 0.00 57.70 57.08 1sui n MET 61 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 33.22 33.13 1sui n MET 61 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 1sui n THR 62 N 0.00 0.00 -3.54 3.17 -2.24 -1.26 -4.98 114.28 105.43 1sui n THR 62 Ca 0.00 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.51 1sui n THR 62 Cb 0.00 -0.22 -0.10 0.00 -2.10 0.00 0.00 70.33 67.90 1sui n THR 62 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1sui n THR 63 N 2.60 -0.12 -2.17 4.28 5.66 -1.26 -5.11 114.28 118.17 1sui n THR 63 Ca 0.25 -4.01 -0.42 0.00 -3.05 0.00 0.00 64.05 56.82 1sui n THR 63 Cb 0.02 -1.86 -0.03 0.00 -1.55 0.00 0.00 70.33 66.90 1sui n THR 63 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1sui s SER 64 N -0.64 6.83 0.39 1.09 0.01 -1.26 -4.95 113.70 115.17 1sui s SER 64 Ca 0.31 2.37 0.20 0.00 1.31 0.00 0.00 55.95 60.14 1sui s SER 64 Cb 0.03 -2.60 0.76 0.00 0.21 0.00 0.00 66.02 64.42 1sui s SER 64 CO -0.18 -0.63 1.76 0.00 0.41 0.00 0.00 173.24 174.61 1sui h ALA 65 N 6.31 1.02 0.00 1.44 0.00 -2.01 -3.26 119.26 122.75 1sui h ALA 65 Ca -0.43 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.18 1sui h ALA 65 Cb 1.21 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1sui h ALA 65 CO 0.84 0.41 -0.25 0.38 0.00 0.00 0.00 179.25 180.63 1sui h ASP 66 N 0.00 0.00 -0.14 0.00 2.03 -1.99 -3.33 116.42 112.99 1sui h ASP 66 Ca -0.00 -0.05 -0.04 0.00 -0.73 0.00 0.00 57.03 56.21 1sui h ASP 66 Cb 0.84 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.33 1sui h ASP 66 CO 0.04 0.02 -0.03 -0.33 -1.03 0.00 0.00 179.24 177.92 1sui h GLU 67 N 0.00 0.40 0.18 4.15 5.08 -1.92 -2.47 114.58 120.00 1sui h GLU 67 Ca 0.00 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1sui h GLU 67 Cb 0.84 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.03 1sui h GLU 67 CO 0.00 0.45 -0.09 0.78 -1.00 0.00 0.00 179.01 179.15 1sui h GLY 68 N 0.75 -0.27 1.34 -3.84 0.00 -1.78 0.47 103.07 99.74 1sui h GLY 68 Ca 0.08 0.10 -0.02 0.00 0.00 0.00 0.00 47.33 47.49 1sui h GLY 68 CO 0.01 -0.10 0.27 -1.61 0.00 0.00 0.00 176.54 175.12 1sui h GLN 69 N -0.26 0.86 0.40 4.80 4.15 -1.75 0.06 115.11 123.37 1sui h GLN 69 Ca -0.02 -0.12 -0.02 0.00 0.77 0.00 0.00 58.65 59.26 1sui h GLN 69 Cb 0.20 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 27.74 1sui h GLN 69 CO 0.04 0.68 -0.19 0.35 -1.93 0.00 0.00 178.83 177.77 1sui h PHE 70 N 0.86 -0.50 -0.51 3.99 3.57 -1.07 -2.17 116.94 121.12 1sui h PHE 70 Ca 0.21 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.78 1sui h PHE 70 Cb 0.11 0.16 -0.07 0.00 2.79 0.00 0.00 35.95 38.95 1sui h PHE 70 CO 0.01 -0.18 0.12 -0.07 -2.23 0.00 0.00 178.31 175.96 1sui h LEU 71 N -0.98 0.04 -0.16 0.59 -0.00 0.03 0.71 115.31 115.53 1sui h LEU 71 Ca -0.05 0.09 0.05 0.00 -0.00 0.00 0.00 57.88 57.96 1sui h LEU 71 Cb 0.54 0.11 -0.06 0.00 -0.00 0.00 0.00 40.66 41.25 1sui h LEU 71 CO 0.09 0.05 -0.29 -1.28 -0.00 0.00 0.00 178.44 177.01 1sui h SER 72 N 0.26 -0.90 -0.07 -0.43 0.87 -1.02 0.56 113.55 112.81 1sui h SER 72 Ca 0.26 0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.96 1sui h SER 72 Cb 0.34 0.40 -0.00 0.00 -0.44 0.00 0.00 62.40 62.69 1sui h SER 72 CO -0.32 -0.33 0.05 -0.03 -0.53 0.00 0.00 176.83 175.67 1sui h MET 73 N -0.35 0.10 -0.66 2.24 1.85 -0.81 -2.07 114.93 115.23 1sui h MET 73 Ca 0.11 -0.01 0.05 0.00 -0.61 0.00 0.00 59.70 59.24 1sui h MET 73 Cb 0.51 -0.02 -0.05 0.00 0.43 0.00 0.00 31.60 32.47 1sui h MET 73 CO -0.35 0.07 0.38 1.25 -0.40 0.00 0.00 176.91 177.86 1sui h LEU 74 N 0.09 0.59 -0.50 3.39 6.46 -0.39 0.02 115.31 124.97 1sui h LEU 74 Ca 0.03 0.02 -0.07 0.00 -0.12 0.00 0.00 57.88 57.74 1sui h LEU 74 Cb -0.00 -0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 39.81 1sui h LEU 74 CO -0.01 0.39 0.03 -0.07 -0.62 0.00 0.00 178.44 178.17 1sui h LEU 75 N 0.72 0.84 -0.64 2.25 3.38 -0.75 -0.81 115.31 120.30 1sui h LEU 75 Ca 0.29 -0.29 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 1sui h LEU 75 Cb 0.13 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1sui h LEU 75 CO -0.16 0.93 -0.34 0.11 0.09 0.00 0.00 178.44 179.07 1sui h LYS 76 N 0.73 0.70 0.07 1.13 1.57 -1.13 -1.48 116.57 118.16 1sui h LYS 76 Ca 0.15 -0.33 -0.00 0.00 -1.87 0.00 0.00 60.65 58.59 1sui h LYS 76 Cb 0.47 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1sui h LYS 76 CO 0.02 0.93 -0.03 -0.07 -0.57 0.00 0.00 179.45 179.73 1sui h LEU 77 N 0.59 -0.08 -0.08 2.94 3.38 -0.72 -2.44 115.31 118.90 1sui h LEU 77 Ca 0.06 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1sui h LEU 77 Cb 0.85 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1sui h LEU 77 CO 0.07 0.02 0.00 2.30 0.09 0.00 0.00 178.44 180.92 1sui n ILE 78 N -5.09 0.01 -3.71 1.22 -5.35 -0.34 -4.92 119.36 101.18 1sui n ILE 78 Ca -0.08 -0.02 -0.23 0.00 -0.27 0.00 0.00 62.75 62.15 1sui n ILE 78 Cb 0.10 -0.31 0.03 0.00 -1.74 0.00 0.00 39.64 37.71 1sui n ILE 78 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1sui n ASN 79 N -0.79 -1.93 -4.72 7.28 4.05 -0.62 -4.93 115.26 113.60 1sui n ASN 79 Ca 0.18 -0.88 -0.42 0.00 0.45 0.00 0.00 54.58 53.92 1sui n ASN 79 Cb 0.10 -3.85 -0.03 0.00 1.23 0.00 0.00 39.78 37.23 1sui n ASN 79 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1sui s ALA 80 N -3.67 3.30 0.00 5.20 0.00 -0.81 -4.92 121.76 120.85 1sui s ALA 80 Ca 0.10 0.71 0.00 0.00 0.00 0.00 0.00 51.96 52.77 1sui s ALA 80 Cb -0.03 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.71 1sui s ALA 80 CO 0.83 -0.29 0.00 1.63 0.00 0.00 0.00 175.76 177.93 1sui n LYS 81 N 3.54 0.00 -3.34 0.00 5.02 -1.26 -4.36 118.16 117.76 1sui n LYS 81 Ca 0.06 0.00 -0.46 0.00 -2.02 0.00 0.00 58.31 55.89 1sui n LYS 81 Cb 0.48 -0.48 -0.04 0.00 -0.02 0.00 0.00 35.03 34.97 1sui n LYS 81 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1sui s ASN 82 N -5.03 6.34 0.40 4.39 2.47 -1.26 -2.73 114.94 119.52 1sui s ASN 82 Ca 0.00 -2.13 0.08 0.00 0.42 0.00 0.00 52.86 51.22 1sui s ASN 82 Cb 0.00 -2.19 -0.04 0.00 -1.45 0.00 0.00 41.25 37.56 1sui s ASN 82 CO 0.00 -0.74 0.21 0.42 -3.72 0.00 0.00 177.10 173.27 1sui s THR 83 N 1.05 2.49 -0.05 -5.21 -4.23 -1.11 -0.44 115.64 108.14 1sui s THR 83 Ca 0.09 -1.63 -0.04 0.00 -1.18 0.00 0.00 61.69 58.93 1sui s THR 83 Cb -0.23 -2.99 0.02 0.00 1.34 0.00 0.00 72.50 70.65 1sui s THR 83 CO -0.01 -0.03 0.13 -0.32 -0.54 0.00 0.00 174.62 173.84 1sui s MET 84 N -3.94 0.12 -0.11 3.99 1.75 -0.69 -0.34 119.30 120.08 1sui s MET 84 Ca 0.42 0.26 0.02 0.00 -1.25 0.00 0.00 55.69 55.14 1sui s MET 84 Cb 0.01 -0.05 0.01 0.00 2.84 0.00 0.00 34.83 37.65 1sui s MET 84 CO 0.24 -0.09 -0.16 -2.00 -0.65 0.00 0.00 175.02 172.36 1sui s GLU 85 N 0.57 2.32 -0.38 4.11 2.12 -0.84 -2.23 118.70 124.38 1sui s GLU 85 Ca -0.04 -0.60 -0.02 0.00 0.36 0.00 0.00 54.97 54.68 1sui s GLU 85 Cb -0.06 -1.97 0.10 0.00 0.26 0.00 0.00 34.13 32.46 1sui s GLU 85 CO -0.03 -0.07 0.14 0.42 -0.54 0.00 0.00 175.26 175.19 1sui s ILE 86 N 0.99 3.06 0.00 -3.70 1.01 -0.43 -1.68 121.20 120.46 1sui s ILE 86 Ca -0.06 -1.98 0.00 0.00 0.00 0.00 0.00 60.65 58.61 1sui s ILE 86 Cb -0.15 -3.06 0.00 0.00 0.01 0.00 0.00 42.46 39.26 1sui s ILE 86 CO -0.02 -0.57 0.00 0.61 0.00 0.00 0.00 174.94 174.96 1sui n GLY 87 N 4.54 1.24 0.00 6.18 0.00 0.14 -1.19 105.19 116.11 1sui n GLY 87 Ca -0.03 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.37 1sui n GLY 87 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1sui n VAL 88 N 0.00 0.00 -1.32 1.61 0.31 -1.03 -4.41 118.33 113.49 1sui n VAL 88 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1sui n VAL 88 Cb 0.00 -0.02 -0.00 0.00 -0.91 0.00 0.00 33.84 32.91 1sui n VAL 88 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1sui n TYR 89 N 0.00 -0.80 0.00 3.52 4.19 -1.26 -4.30 117.16 118.51 1sui n TYR 89 Ca 0.00 0.47 0.00 0.00 3.31 0.00 0.00 57.90 61.68 1sui n TYR 89 Cb 0.00 -2.23 0.00 0.00 0.49 0.00 0.00 39.34 37.60 1sui n TYR 89 CO 0.00 0.00 0.00 2.41 0.91 0.00 0.00 176.86 180.18 1sui n THR 90 N 0.30 0.00 -0.37 2.97 -1.04 -0.87 -4.01 114.28 111.26 1sui n THR 90 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 1sui n THR 90 Cb 0.02 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.53 1sui n THR 90 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1sui n GLY 91 N 0.00 1.15 0.14 3.41 0.00 -1.26 -4.04 105.19 104.59 1sui n GLY 91 Ca 0.00 -0.11 -0.14 0.00 0.00 0.00 0.00 46.02 45.77 1sui n GLY 91 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1sui h TYR 92 N 0.00 0.48 0.00 1.61 3.20 -1.86 0.15 116.97 120.55 1sui h TYR 92 Ca 0.00 -0.18 -0.03 0.00 3.14 0.00 0.00 58.73 61.66 1sui h TYR 92 Cb 0.15 -0.09 -0.00 0.00 1.54 0.00 0.00 36.73 38.33 1sui h TYR 92 CO 0.00 0.87 -0.14 0.66 -1.64 0.00 0.00 178.16 177.90 1sui h SER 93 N -0.04 0.00 -0.11 -2.11 4.64 -1.92 -2.79 113.55 111.24 1sui h SER 93 Ca 0.00 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.10 1sui h SER 93 Cb 0.84 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.94 1sui h SER 93 CO 0.06 0.14 -0.81 0.25 -0.87 0.00 0.00 176.83 175.60 1sui h LEU 94 N 0.00 0.89 -0.08 5.97 7.12 -1.92 -1.79 115.31 125.51 1sui h LEU 94 Ca -0.00 -0.66 -0.01 0.00 0.13 0.00 0.00 57.88 57.34 1sui h LEU 94 Cb 1.02 -0.27 -0.00 0.00 -0.53 0.00 0.00 40.66 40.88 1sui h LEU 94 CO 0.02 1.42 0.03 0.25 -0.13 0.00 0.00 178.44 180.03 1sui h LEU 95 N 0.44 0.11 -0.04 2.25 6.46 -0.66 0.30 115.31 124.17 1sui h LEU 95 Ca -0.07 -0.18 0.02 0.00 -0.12 0.00 0.00 57.88 57.52 1sui h LEU 95 Cb 1.45 -0.03 -0.04 0.00 -0.73 0.00 0.00 40.66 41.31 1sui h LEU 95 CO 0.16 0.27 -0.38 0.00 -0.62 0.00 0.00 178.44 177.87 1sui h ALA 96 N 0.85 -0.79 -0.94 1.25 0.00 -1.50 0.44 119.26 118.57 1sui h ALA 96 Ca 0.03 -0.05 0.15 0.00 0.00 0.00 0.00 54.91 55.03 1sui h ALA 96 Cb 0.19 0.85 -0.09 0.00 0.00 0.00 0.00 17.79 18.73 1sui h ALA 96 CO -0.00 -0.92 0.55 1.15 0.00 0.00 0.00 179.25 180.04 1sui h THR 97 N -0.45 0.79 -0.19 0.00 2.02 -1.22 0.44 112.91 114.30 1sui h THR 97 Ca 0.01 -0.27 -0.01 0.00 0.77 0.00 0.00 66.41 66.92 1sui h THR 97 Cb 0.49 -0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.83 1sui h THR 97 CO -0.27 0.14 0.09 0.00 0.37 0.00 0.00 175.52 175.85 1sui h ALA 98 N 1.58 0.25 -0.34 6.16 0.00 0.27 -0.88 119.26 126.29 1sui h ALA 98 Ca 0.51 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 55.18 1sui h ALA 98 Cb 0.67 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1sui h ALA 98 CO -0.33 -0.18 -0.38 -0.07 0.00 0.00 0.00 179.25 178.28 1sui h LEU 99 N 0.18 0.87 -0.22 0.00 3.38 0.89 -3.31 115.31 117.09 1sui h LEU 99 Ca 0.07 -0.39 -0.08 0.00 0.09 0.00 0.00 57.88 57.57 1sui h LEU 99 Cb 0.14 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 1sui h LEU 99 CO -0.01 1.15 -0.16 0.00 0.09 0.00 0.00 178.44 179.52 1sui h ALA 100 N 0.89 0.32 -2.30 1.53 0.00 -0.08 -3.45 119.26 116.15 1sui h ALA 100 Ca 0.06 -0.33 -0.44 0.00 0.00 0.00 0.00 54.91 54.19 1sui h ALA 100 Cb 0.95 -0.07 0.17 0.00 0.00 0.00 0.00 17.79 18.83 1sui h ALA 100 CO 0.09 0.21 0.17 0.96 0.00 0.00 0.00 179.25 180.68 1sui s ILE 101 N -4.46 1.94 0.70 0.00 -4.36 -0.34 -4.68 121.20 109.99 1sui s ILE 101 Ca -0.13 0.00 -0.11 0.00 -0.26 0.00 0.00 60.65 60.15 1sui s ILE 101 Cb 0.07 -2.48 0.01 0.00 1.25 0.00 0.00 42.46 41.31 1sui s ILE 101 CO 0.78 0.00 1.07 -2.16 0.24 0.00 0.00 174.94 174.86 1sui s PRO 102 N -5.02 2.90 0.55 0.37 0.04 -1.26 -4.93 135.00 127.65 1sui s PRO 102 Ca 0.66 0.77 0.26 0.00 0.04 0.00 0.00 61.00 62.74 1sui s PRO 102 Cb -0.18 -2.00 1.57 0.00 0.04 0.00 0.00 34.50 33.94 1sui s PRO 102 CO 0.58 -1.07 2.16 1.49 0.04 0.00 0.00 177.00 180.19 1sui h GLU 103 N -0.69 0.00 0.00 4.56 4.57 -1.95 -3.34 114.58 117.73 1sui h GLU 103 Ca -0.45 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.73 1sui h GLU 103 Cb 1.22 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.81 1sui h GLU 103 CO 0.60 0.06 0.00 -3.47 -1.18 0.00 0.00 179.01 175.01 1sui n ASP 104 N -3.89 0.00 -3.77 1.04 -0.08 -1.26 -4.90 116.55 103.69 1sui n ASP 104 Ca -0.03 0.00 -0.36 0.00 -1.51 0.00 0.00 54.79 52.90 1sui n ASP 104 Cb 0.15 0.00 0.03 0.00 2.34 0.00 0.00 41.12 43.64 1sui n ASP 104 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1sui n GLY 105 N 0.81 -3.49 3.45 0.27 0.00 -1.26 -5.02 105.19 99.96 1sui n GLY 105 Ca 0.00 -0.38 -0.22 0.00 0.00 0.00 0.00 46.02 45.42 1sui n GLY 105 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sui s LYS 106 N -1.88 1.61 -0.36 1.61 1.02 -1.11 -4.84 119.74 115.79 1sui s LYS 106 Ca 0.35 -1.79 -0.03 0.00 0.02 0.00 0.00 55.97 54.52 1sui s LYS 106 Cb -0.01 -1.39 0.08 0.00 -0.52 0.00 0.00 37.83 35.99 1sui s LYS 106 CO 0.69 0.13 0.11 0.42 -0.92 0.00 0.00 175.35 175.78 1sui s ILE 107 N -2.82 3.21 -1.10 2.17 1.01 0.15 -2.76 121.20 121.06 1sui s ILE 107 Ca 0.29 -1.71 -0.24 0.00 0.00 0.00 0.00 60.65 59.00 1sui s ILE 107 Cb 0.01 -3.03 -0.10 0.00 0.01 0.00 0.00 42.46 39.35 1sui s ILE 107 CO 0.13 -0.41 1.98 -0.22 0.00 0.00 0.00 174.94 176.42 1sui s LEU 108 N 1.21 2.96 -0.04 2.97 1.98 0.54 -2.66 118.68 125.64 1sui s LEU 108 Ca 0.02 -1.31 -0.03 0.00 -2.89 0.00 0.00 54.13 49.92 1sui s LEU 108 Cb -0.21 -2.58 -0.12 0.00 0.66 0.00 0.00 46.19 43.93 1sui s LEU 108 CO -0.02 -3.30 1.98 0.00 -1.89 0.00 0.00 176.35 173.12 1sui n ALA 109 N 15.27 3.59 0.00 5.97 0.00 -1.25 -2.00 120.51 142.09 1sui n ALA 109 Ca 0.43 -0.91 0.00 0.00 0.00 0.00 0.00 53.44 52.96 1sui n ALA 109 Cb 0.47 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.60 1sui n ALA 109 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1sui n MET 110 N 2.85 0.00 -3.11 0.00 1.56 -0.68 -4.17 117.12 113.56 1sui n MET 110 Ca 0.21 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.64 1sui n MET 110 Cb 0.42 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.79 1sui n MET 110 CO 0.00 0.00 0.00 -0.40 -0.73 0.00 0.00 175.97 174.84 1sui n ASP 111 N 0.00 0.00 -3.01 6.12 5.75 -1.22 -1.56 116.55 122.63 1sui n ASP 111 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 54.79 54.73 1sui n ASP 111 Cb 0.00 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.11 1sui n ASP 111 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1sui n ILE 112 N 1.02 0.00 -0.13 2.12 3.06 -1.26 -0.68 119.36 123.50 1sui n ILE 112 Ca 0.00 -0.70 -0.26 0.00 -2.50 0.00 0.00 62.75 59.29 1sui n ILE 112 Cb 0.00 0.82 -0.11 0.00 0.54 0.00 0.00 39.64 40.90 1sui n ILE 112 CO 0.00 0.00 0.00 0.59 -2.50 0.00 0.00 176.55 174.64 1sui n ASN 113 N -1.37 1.97 -4.93 9.51 5.03 -1.26 -2.03 115.26 122.17 1sui n ASN 113 Ca -0.05 0.20 -0.25 0.00 0.87 0.00 0.00 54.58 55.35 1sui n ASN 113 Cb 0.56 -0.71 0.03 0.00 -1.02 0.00 0.00 39.78 38.65 1sui n ASN 113 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 1sui s LYS 114 N -2.51 2.82 -0.93 3.52 2.47 -1.26 -4.52 119.74 119.34 1sui s LYS 114 Ca -0.37 -0.24 -0.00 0.00 -1.56 0.00 0.00 55.97 53.80 1sui s LYS 114 Cb 0.12 -2.35 0.33 0.00 -1.46 0.00 0.00 37.83 34.48 1sui s LYS 114 CO 0.54 -0.67 1.74 0.39 0.16 0.00 0.00 175.35 177.50 1sui n GLU 115 N -2.48 4.65 0.10 4.03 -0.58 -1.26 -4.39 120.64 120.71 1sui n GLU 115 Ca 0.05 -4.49 0.13 0.00 -0.42 0.00 0.00 57.16 52.43 1sui n GLU 115 Cb 0.58 -2.40 0.31 0.00 -0.57 0.00 0.00 31.44 29.36 1sui n GLU 115 CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 1sui h ASN 116 N 3.80 0.00 0.02 1.62 2.35 -1.96 -2.56 115.58 118.86 1sui h ASN 116 Ca 0.49 -0.07 -0.05 0.00 -0.55 0.00 0.00 56.30 56.12 1sui h ASN 116 Cb 0.31 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.67 1sui h ASN 116 CO 1.17 0.04 -0.12 0.22 -1.65 0.00 0.00 177.43 177.09 1sui h TYR 117 N 0.00 0.23 -0.31 1.19 3.20 -1.83 -0.60 116.97 118.84 1sui h TYR 117 Ca 0.00 -0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.79 1sui h TYR 117 Cb 0.76 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.95 1sui h TYR 117 CO 0.00 0.34 -0.01 1.49 -1.64 0.00 0.00 178.16 178.34 1sui h GLU 118 N 0.21 0.56 0.00 1.82 4.57 -1.79 0.97 114.58 120.93 1sui h GLU 118 Ca 0.04 -0.18 0.00 0.00 -1.18 0.00 0.00 59.36 58.04 1sui h GLU 118 Cb 0.35 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.89 1sui h GLU 118 CO 0.02 0.71 0.23 1.25 -1.18 0.00 0.00 179.01 180.04 1sui h LEU 119 N 0.36 0.00 -0.12 1.64 6.46 -1.18 -2.59 115.31 119.87 1sui h LEU 119 Ca 0.09 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.85 1sui h LEU 119 Cb 0.46 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.39 1sui h LEU 119 CO 0.02 0.00 0.00 0.61 -0.62 0.00 0.00 178.44 178.45 1sui n GLY 120 N -1.27 0.70 0.33 3.75 0.00 -0.99 -4.81 105.19 102.90 1sui n GLY 120 Ca -0.01 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.18 1sui n GLY 120 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1sui h LEU 121 N 0.00 0.00 -0.85 0.99 5.85 -0.40 -2.37 115.31 118.53 1sui h LEU 121 Ca 0.00 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 1sui h LEU 121 Cb 0.07 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 1sui h LEU 121 CO 0.00 0.00 0.13 1.55 -0.34 0.00 0.00 178.44 179.78 1sui h PRO 122 N 0.00 0.99 -0.23 5.25 0.13 -1.87 -1.22 132.00 135.05 1sui h PRO 122 Ca 0.08 -0.23 -0.13 0.00 -0.87 0.00 0.00 66.00 64.85 1sui h PRO 122 Cb 0.46 -0.13 -0.00 0.00 0.13 0.00 0.00 31.00 31.46 1sui h PRO 122 CO -0.00 0.89 -0.37 0.28 -0.23 0.00 0.00 178.00 178.57 1sui h VAL 123 N 0.94 1.32 0.00 1.56 2.07 -1.80 0.86 116.25 121.20 1sui h VAL 123 Ca 0.20 -1.58 0.00 0.00 0.82 0.00 0.00 66.70 66.14 1sui h VAL 123 Cb 0.36 1.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.89 1sui h VAL 123 CO 0.00 0.49 0.00 0.40 0.02 0.00 0.00 177.57 178.49 1sui h ILE 124 N 0.36 0.00 0.09 4.57 2.04 -1.48 0.17 117.51 123.28 1sui h ILE 124 Ca 0.02 -0.23 -0.37 0.00 1.00 0.00 0.00 64.86 65.27 1sui h ILE 124 Cb 0.96 1.05 -0.03 0.00 -0.74 0.00 0.00 36.82 38.06 1sui h ILE 124 CO 0.08 0.00 -2.11 1.17 0.00 0.00 0.00 178.15 177.29 1sui n LYS 125 N -2.64 0.73 0.23 2.37 3.00 -0.47 -2.10 118.16 119.28 1sui n LYS 125 Ca 0.00 0.24 0.08 0.00 -0.00 0.00 0.00 58.31 58.63 1sui n LYS 125 Cb 0.19 -1.66 0.57 0.00 0.00 0.00 0.00 35.03 34.13 1sui n LYS 125 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 1sui h LYS 126 N 0.04 0.00 -0.88 1.64 3.64 0.16 -0.28 116.57 120.89 1sui h LYS 126 Ca -0.46 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 58.72 1sui h LYS 126 Cb 1.99 0.00 -0.12 0.00 -0.41 0.00 0.00 32.23 33.69 1sui h LYS 126 CO 0.04 0.19 0.25 0.00 -2.27 0.00 0.00 179.45 177.66 1sui n ALA 127 N -2.40 4.09 -3.71 5.00 0.00 0.53 -4.94 120.51 119.08 1sui n ALA 127 Ca -0.02 -1.66 -0.13 0.00 0.00 0.00 0.00 53.44 51.63 1sui n ALA 127 Cb 0.27 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.52 1sui n ALA 127 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sui n GLY 128 N -0.17 -0.25 0.00 0.00 0.00 -0.11 -4.74 105.19 99.92 1sui n GLY 128 Ca 0.31 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.43 1sui n GLY 128 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1sui n VAL 129 N -1.96 0.00 0.27 1.61 3.14 -1.15 -4.82 118.33 115.41 1sui n VAL 129 Ca -0.04 0.00 0.14 0.00 -2.96 0.00 0.00 64.34 61.48 1sui n VAL 129 Cb 0.16 1.80 0.75 0.00 -1.06 0.00 0.00 33.84 35.48 1sui n VAL 129 CO 0.00 0.00 0.00 -2.24 -6.46 0.00 0.00 176.83 168.13 1sui h ASP 130 N 0.00 0.00 0.00 6.55 2.03 -1.72 -2.93 116.42 120.35 1sui h ASP 130 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1sui h ASP 130 Cb 0.53 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.03 1sui h ASP 130 CO 0.00 0.10 0.00 0.00 -1.03 0.00 0.00 179.24 178.31 1sui n HIS 131 N -3.48 0.00 0.29 4.15 1.44 -1.26 -0.82 115.22 115.54 1sui n HIS 131 Ca -0.01 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 55.75 1sui n HIS 131 Cb 0.25 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.28 1sui n HIS 131 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1sui n LYS 132 N -0.82 2.04 -2.51 -1.40 5.02 -1.11 -5.02 118.16 114.37 1sui n LYS 132 Ca 0.01 -0.05 -0.32 0.00 -2.02 0.00 0.00 58.31 55.94 1sui n LYS 132 Cb 0.00 -1.13 -0.03 0.00 -0.02 0.00 0.00 35.03 33.85 1sui n LYS 132 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1sui s ILE 133 N -2.37 4.60 -0.36 -0.18 1.09 0.00 0.33 121.20 124.31 1sui s ILE 133 Ca 0.01 1.07 0.14 0.00 -1.10 0.00 0.00 60.65 60.76 1sui s ILE 133 Cb 0.08 -3.72 0.40 0.00 -1.06 0.00 0.00 42.46 38.15 1sui s ILE 133 CO 0.46 -0.65 0.85 -0.67 -0.10 0.00 0.00 174.94 174.84 1sui n ASP 134 N -1.52 1.47 -4.69 3.58 -0.08 -1.09 -4.91 116.55 109.32 1sui n ASP 134 Ca 0.06 -2.96 -0.37 0.00 -1.51 0.00 0.00 54.79 50.01 1sui n ASP 134 Cb 0.54 -0.57 0.06 0.00 2.34 0.00 0.00 41.12 43.49 1sui n ASP 134 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 1sui n PHE 135 N 0.07 1.53 -4.02 -0.67 -0.00 -1.26 -3.95 117.46 109.17 1sui n PHE 135 Ca 0.19 0.42 -0.09 0.00 -0.00 0.00 0.00 57.45 57.98 1sui n PHE 135 Cb 0.71 -2.22 -0.08 0.00 -0.00 0.00 0.00 39.48 37.89 1sui n PHE 135 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 1sui s ARG 136 N -3.14 1.00 0.30 -4.13 0.52 -0.60 -5.01 118.95 107.90 1sui s ARG 136 Ca 0.80 -1.24 0.08 0.00 -0.52 0.00 0.00 55.73 54.86 1sui s ARG 136 Cb -0.39 0.31 -0.06 0.00 0.52 0.00 0.00 34.95 35.33 1sui s ARG 136 CO 0.43 -0.32 -0.09 -2.00 0.02 0.00 0.00 175.30 173.34 1sui s GLU 137 N -3.98 1.67 0.23 3.54 2.12 -1.26 -4.08 118.70 116.94 1sui s GLU 137 Ca 0.17 -1.84 0.00 0.00 0.36 0.00 0.00 54.97 53.66 1sui s GLU 137 Cb 0.05 -1.44 0.00 0.00 0.26 0.00 0.00 34.13 33.01 1sui s GLU 137 CO -0.02 0.11 0.00 0.41 -0.54 0.00 0.00 175.26 175.22 1sui n GLY 138 N -0.67 -3.33 0.88 -1.50 0.00 -0.86 -4.92 105.19 94.79 1sui n GLY 138 Ca -0.05 -1.11 -0.13 0.00 0.00 0.00 0.00 46.02 44.72 1sui n GLY 138 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1sui n PRO 139 N -1.85 0.00 0.00 1.61 -0.02 -1.26 -4.75 135.00 128.73 1sui n PRO 139 Ca 0.00 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.49 1sui n PRO 139 Cb 0.17 -0.29 -0.11 0.00 -0.02 0.00 0.00 33.50 33.25 1sui n PRO 139 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sui n ALA 140 N 0.10 2.06 -0.33 3.55 0.00 -1.26 -4.27 120.51 120.37 1sui n ALA 140 Ca 0.05 -0.67 0.13 0.00 0.00 0.00 0.00 53.44 52.95 1sui n ALA 140 Cb 0.05 -0.78 0.27 0.00 0.00 0.00 0.00 19.45 18.99 1sui n ALA 140 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1sui n LEU 141 N -2.72 -0.13 0.28 0.00 4.32 -1.26 -0.46 117.00 117.02 1sui n LEU 141 Ca -0.12 1.60 -0.16 0.00 -0.02 0.00 0.00 56.01 57.31 1sui n LEU 141 Cb 0.83 -0.58 -0.08 0.00 -1.62 0.00 0.00 43.42 41.97 1sui n LEU 141 CO 0.43 -1.62 0.61 -0.65 -1.22 0.00 0.00 177.39 174.95 1sui h PRO 142 N 0.00 -0.66 -1.00 3.23 0.11 -1.97 -2.83 132.00 128.88 1sui h PRO 142 Ca 0.56 0.05 0.21 0.00 0.11 0.00 0.00 66.00 66.93 1sui h PRO 142 Cb 1.14 0.15 -0.11 0.00 0.11 0.00 0.00 31.00 32.29 1sui h PRO 142 CO -0.89 -0.39 0.61 0.28 -0.21 0.00 0.00 178.00 177.40 1sui h VAL 143 N -0.82 0.64 0.31 3.15 2.07 -0.99 -1.40 116.25 119.21 1sui h VAL 143 Ca -0.07 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.20 1sui h VAL 143 Cb 0.58 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 1sui h VAL 143 CO 0.12 0.12 -0.15 -0.07 0.02 0.00 0.00 177.57 177.61 1sui h LEU 144 N 0.68 -0.35 -1.26 2.57 4.07 -1.20 0.14 115.31 119.96 1sui h LEU 144 Ca 0.60 -0.17 0.21 0.00 0.08 0.00 0.00 57.88 58.60 1sui h LEU 144 Cb 1.04 0.09 -0.09 0.00 1.08 0.00 0.00 40.66 42.79 1sui h LEU 144 CO -0.40 0.01 0.62 0.44 -1.08 0.00 0.00 178.44 178.02 1sui h ASP 145 N -0.75 0.58 -0.27 -0.43 5.19 -1.16 0.43 116.42 120.01 1sui h ASP 145 Ca -0.04 0.07 -0.11 0.00 -0.62 0.00 0.00 57.03 56.33 1sui h ASP 145 Cb 0.50 -0.03 -0.00 0.00 0.18 0.00 0.00 39.33 39.98 1sui h ASP 145 CO 0.07 0.20 -0.25 -0.33 -3.12 0.00 0.00 179.24 175.80 1sui h GLU 146 N 0.56 0.66 -0.86 3.56 4.39 -1.10 -2.81 114.58 118.98 1sui h GLU 146 Ca 0.54 -0.34 -0.03 0.00 0.34 0.00 0.00 59.36 59.87 1sui h GLU 146 Cb 1.12 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.74 1sui h GLU 146 CO -0.29 0.94 0.42 0.52 -1.16 0.00 0.00 179.01 179.45 1sui h MET 147 N 0.39 1.24 -0.40 2.33 2.86 0.24 -3.06 114.93 118.52 1sui h MET 147 Ca 0.05 -0.18 -0.01 0.00 -2.06 0.00 0.00 59.70 57.50 1sui h MET 147 Cb 0.82 -0.23 -0.02 0.00 0.06 0.00 0.00 31.60 32.23 1sui h MET 147 CO 0.06 0.94 0.23 0.82 1.06 0.00 0.00 176.91 180.03 1sui h ILE 148 N 1.23 1.14 -0.94 -1.22 1.08 -0.27 -3.02 117.51 115.51 1sui h ILE 148 Ca 0.30 -0.36 0.28 0.00 -0.39 0.00 0.00 64.86 64.70 1sui h ILE 148 Cb 0.11 0.65 -0.16 0.00 -3.07 0.00 0.00 36.82 34.35 1sui h ILE 148 CO -0.04 0.15 0.31 0.50 -0.69 0.00 0.00 178.15 178.37 1sui h LYS 149 N 0.53 0.16 -6.47 2.37 1.63 -1.39 -3.36 116.57 110.04 1sui h LYS 149 Ca 0.14 -0.01 -0.54 0.00 -0.85 0.00 0.00 60.65 59.40 1sui h LYS 149 Cb 0.04 -0.04 0.01 0.00 -0.60 0.00 0.00 32.23 31.64 1sui h LYS 149 CO -0.02 0.11 0.69 0.34 -3.45 0.00 0.00 179.45 177.11 1sui s ASP 150 N -4.96 6.94 -0.16 4.20 -1.08 -1.14 -4.89 116.67 115.58 1sui s ASP 150 Ca -0.11 2.13 -0.01 0.00 -0.52 0.00 0.00 52.55 54.04 1sui s ASP 150 Cb 0.28 -2.58 0.09 0.00 -1.46 0.00 0.00 42.92 39.26 1sui s ASP 150 CO 0.78 -0.60 2.08 -1.84 0.52 0.00 0.00 175.17 176.11 1sui n GLU 151 N 4.32 1.45 0.00 4.34 -0.00 -1.26 -3.38 120.64 126.12 1sui n GLU 151 Ca 0.11 -0.83 0.00 0.00 -0.00 0.00 0.00 57.16 56.43 1sui n GLU 151 Cb 0.44 -1.35 0.00 0.00 -0.00 0.00 0.00 31.44 30.53 1sui n GLU 151 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 1sui n LYS 152 N 0.97 3.80 0.00 3.44 3.00 -1.26 -4.69 118.16 123.42 1sui n LYS 152 Ca 0.17 0.00 0.09 0.00 -0.00 0.00 0.00 58.31 58.56 1sui n LYS 152 Cb 0.55 -0.50 0.46 0.00 0.00 0.00 0.00 35.03 35.53 1sui n LYS 152 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1sui n ASN 153 N -0.20 0.00 -4.65 3.14 5.03 -1.22 -4.67 115.26 112.69 1sui n ASN 153 Ca 0.00 -0.07 -0.43 0.00 0.87 0.00 0.00 54.58 54.95 1sui n ASN 153 Cb 0.00 -0.23 -0.03 0.00 -1.02 0.00 0.00 39.78 38.50 1sui n ASN 153 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 1sui s HIS 154 N -2.47 2.06 -1.01 3.10 3.76 -1.26 -3.65 115.29 115.82 1sui s HIS 154 Ca 0.18 0.37 -0.09 0.00 -0.15 0.00 0.00 55.06 55.38 1sui s HIS 154 Cb 0.12 -3.91 -0.04 0.00 1.11 0.00 0.00 32.58 29.86 1sui s HIS 154 CO 0.25 -3.42 0.84 0.41 -0.85 0.00 0.00 174.74 171.98 1sui n GLY 155 N 4.30 -1.14 0.00 -2.22 0.00 0.30 -4.93 105.19 101.49 1sui n GLY 155 Ca 0.18 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.74 1sui n GLY 155 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1sui n SER 156 N -2.83 0.31 -4.63 1.61 3.41 0.22 -4.37 113.62 107.33 1sui n SER 156 Ca -0.07 -0.63 -0.34 0.00 -0.26 0.00 0.00 58.87 57.56 1sui n SER 156 Cb 0.60 0.41 -0.10 0.00 -0.26 0.00 0.00 64.21 64.86 1sui n SER 156 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1sui s TYR 157 N -0.41 3.24 -0.61 7.33 1.51 -0.39 -4.88 117.35 123.14 1sui s TYR 157 Ca 0.00 0.05 0.25 0.00 -1.01 0.00 0.00 57.07 56.36 1sui s TYR 157 Cb 0.00 -2.06 0.58 0.00 -0.11 0.00 0.00 41.96 40.37 1sui s TYR 157 CO 0.00 0.15 1.65 -0.44 -1.11 0.00 0.00 175.55 175.81 1sui h ASP 158 N 6.63 0.00 -3.62 2.29 3.32 -1.04 -2.18 116.42 121.81 1sui h ASP 158 Ca -0.37 -0.02 0.06 0.00 0.02 0.00 0.00 57.03 56.72 1sui h ASP 158 Cb 1.17 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 40.47 1sui h ASP 158 CO 0.70 0.01 0.46 0.12 -1.72 0.00 0.00 179.24 178.81 1sui s PHE 159 N -3.15 -0.46 -0.14 4.55 5.36 -1.18 -4.17 117.98 118.78 1sui s PHE 159 Ca 0.09 1.00 -0.04 0.00 -0.96 0.00 0.00 56.93 57.02 1sui s PHE 159 Cb 0.10 0.39 0.07 0.00 -0.34 0.00 0.00 43.02 43.24 1sui s PHE 159 CO 0.64 -0.29 0.19 0.42 -1.46 0.00 0.00 175.22 174.72 1sui s ILE 160 N -0.29 -0.28 -0.18 3.12 1.01 -0.72 -1.70 121.20 122.16 1sui s ILE 160 Ca 0.01 0.12 -0.08 0.00 0.00 0.00 0.00 60.65 60.69 1sui s ILE 160 Cb -0.03 -0.48 -0.04 0.00 0.01 0.00 0.00 42.46 41.91 1sui s ILE 160 CO -0.03 -0.03 0.10 0.12 0.00 0.00 0.00 174.94 175.10 1sui s PHE 161 N 2.30 3.35 -0.30 3.97 5.36 -0.94 0.37 117.98 132.10 1sui s PHE 161 Ca 0.04 0.24 0.03 0.00 -0.96 0.00 0.00 56.93 56.28 1sui s PHE 161 Cb -0.14 -2.08 0.08 0.00 -0.34 0.00 0.00 43.02 40.54 1sui s PHE 161 CO -0.09 0.30 -0.03 0.08 -1.46 0.00 0.00 175.22 174.02 1sui s VAL 162 N 0.13 2.20 -0.33 3.12 1.01 0.23 -1.31 120.40 125.45 1sui s VAL 162 Ca 0.07 -1.98 0.08 0.00 0.00 0.00 0.00 61.98 60.14 1sui s VAL 162 Cb -0.12 -2.47 0.45 0.00 0.00 0.00 0.00 36.38 34.25 1sui s VAL 162 CO -0.00 -0.32 1.16 -0.67 0.00 0.00 0.00 175.10 175.27 1sui n ASP 163 N 4.35 4.63 -2.19 3.32 -0.08 -0.33 -2.14 116.55 124.10 1sui n ASP 163 Ca -0.05 -3.63 0.00 0.00 -1.51 0.00 0.00 54.79 49.60 1sui n ASP 163 Cb 0.42 -0.38 0.00 0.00 2.34 0.00 0.00 41.12 43.50 1sui n ASP 163 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1sui n ALA 164 N -0.63 0.00 -1.00 -1.67 0.00 -1.09 -4.64 120.51 111.47 1sui n ALA 164 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1sui n ALA 164 Cb 0.88 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.33 1sui n ALA 164 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1sui n ASP 165 N 0.00 0.00 0.00 0.00 9.92 -1.26 -4.99 116.55 120.21 1sui n ASP 165 Ca 0.00 0.39 0.00 0.00 -0.53 0.00 0.00 54.79 54.65 1sui n ASP 165 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1sui n ASP 165 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1sui n LYS 166 N -0.48 0.00 0.00 -1.24 3.00 -1.26 -4.92 118.16 113.26 1sui n LYS 166 Ca 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 58.31 58.45 1sui n LYS 166 Cb 0.00 0.00 0.66 0.00 0.00 0.00 0.00 35.03 35.69 1sui n LYS 166 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1sui n ASP 167 N 0.00 0.00 -0.28 3.14 5.68 -1.26 -3.21 116.55 120.62 1sui n ASP 167 Ca 0.00 0.22 0.11 0.00 -0.50 0.00 0.00 54.79 54.62 1sui n ASP 167 Cb 0.00 -0.40 0.05 0.00 -1.14 0.00 0.00 41.12 39.63 1sui n ASP 167 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1sui n ASN 168 N -1.40 1.45 0.23 -1.12 3.02 -1.26 -4.48 115.26 111.70 1sui n ASN 168 Ca 0.10 -1.16 -0.16 0.00 -0.03 0.00 0.00 54.58 53.32 1sui n ASN 168 Cb 0.29 0.54 -0.09 0.00 -0.61 0.00 0.00 39.78 39.91 1sui n ASN 168 CO 0.00 0.00 0.00 1.88 -2.62 0.00 0.00 177.26 176.52 1sui h TYR 169 N 1.37 -1.31 -0.83 3.10 0.05 -1.95 0.71 116.97 118.11 1sui h TYR 169 Ca 0.00 0.02 0.20 0.00 0.05 0.00 0.00 58.73 59.00 1sui h TYR 169 Cb 0.62 0.52 -0.14 0.00 1.01 0.00 0.00 36.73 38.74 1sui h TYR 169 CO 0.00 -0.60 0.05 1.25 -1.05 0.00 0.00 178.16 177.82 1sui h LEU 170 N -0.87 -0.30 -0.42 3.88 7.12 -1.82 0.54 115.31 123.44 1sui h LEU 170 Ca -0.05 0.21 -0.04 0.00 0.13 0.00 0.00 57.88 58.14 1sui h LEU 170 Cb 0.77 0.36 -0.02 0.00 -0.53 0.00 0.00 40.66 41.24 1sui h LEU 170 CO -0.10 -0.21 0.11 0.78 -0.13 0.00 0.00 178.44 178.89 1sui h ASN 171 N 0.11 0.63 -0.27 1.25 2.35 -1.59 -2.87 115.58 115.19 1sui h ASN 171 Ca 0.48 -0.22 -0.01 0.00 -0.55 0.00 0.00 56.30 55.99 1sui h ASN 171 Cb 0.89 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 39.09 1sui h ASN 171 CO -0.71 0.69 0.13 1.88 -1.65 0.00 0.00 177.43 177.76 1sui h TYR 172 N 0.53 0.39 -0.96 1.19 0.05 0.44 -2.73 116.97 115.88 1sui h TYR 172 Ca 0.13 -0.02 0.21 0.00 0.05 0.00 0.00 58.73 59.10 1sui h TYR 172 Cb 0.30 -0.12 -0.08 0.00 1.01 0.00 0.00 36.73 37.84 1sui h TYR 172 CO 0.02 0.37 0.62 1.25 -1.05 0.00 0.00 178.16 179.37 1sui h HIS 173 N 0.30 0.71 -0.06 4.88 2.76 -0.05 0.71 115.15 124.40 1sui h HIS 173 Ca 0.09 0.02 0.04 0.00 -2.20 0.00 0.00 60.37 58.32 1sui h HIS 173 Cb 0.13 -0.22 -0.05 0.00 1.55 0.00 0.00 27.41 28.82 1sui h HIS 173 CO -0.02 0.16 -0.27 -0.22 -1.30 0.00 0.00 177.93 176.28 1sui h LYS 174 N 0.51 -0.36 0.00 5.26 1.63 -1.26 -1.24 116.57 121.11 1sui h LYS 174 Ca 0.53 0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 60.32 1sui h LYS 174 Cb 1.16 0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.87 1sui h LYS 174 CO -0.26 -0.24 -0.20 0.07 -3.45 0.00 0.00 179.45 175.37 1sui h ARG 175 N -0.38 0.00 -1.08 1.90 -0.00 -1.38 -3.37 114.38 110.08 1sui h ARG 175 Ca 0.08 0.00 0.40 0.00 -0.00 0.00 0.00 59.98 60.46 1sui h ARG 175 Cb 0.49 0.00 -0.16 0.00 -0.00 0.00 0.00 29.97 30.30 1sui h ARG 175 CO -0.27 0.85 0.62 -0.07 -0.00 0.00 0.00 179.97 181.11 1sui h LEU 176 N -1.00 0.35 -1.98 0.08 4.07 0.39 0.31 115.31 117.53 1sui h LEU 176 Ca -0.05 0.21 -0.01 0.00 0.08 0.00 0.00 57.88 58.11 1sui h LEU 176 Cb 0.91 0.20 -0.00 0.00 1.08 0.00 0.00 40.66 42.85 1sui h LEU 176 CO -0.03 -0.30 -0.03 -0.29 -1.08 0.00 0.00 178.44 176.70 1sui h ILE 177 N 0.10 0.13 0.00 1.22 -0.00 -1.38 -2.24 117.51 115.34 1sui h ILE 177 Ca 0.82 -0.40 -0.15 0.00 -0.00 0.00 0.00 64.86 65.13 1sui h ILE 177 Cb 2.19 1.34 -0.02 0.00 -0.00 0.00 0.00 36.82 40.33 1sui h ILE 177 CO -0.65 0.03 -1.17 0.44 -0.00 0.00 0.00 178.15 176.81 1sui h ASP 178 N 0.00 0.00 1.03 2.19 3.32 -0.58 -3.36 116.42 119.02 1sui h ASP 178 Ca -0.00 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.85 1sui h ASP 178 Cb 0.34 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.86 1sui h ASP 178 CO 0.00 0.56 -0.97 -0.07 -1.72 0.00 0.00 179.24 177.04 1sui h LEU 179 N 0.00 0.00-10.03 1.55 -0.00 -1.34 0.86 115.31 106.35 1sui h LEU 179 Ca -0.12 0.00 -0.45 0.00 -0.00 0.00 0.00 57.88 57.31 1sui h LEU 179 Cb 1.53 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 42.17 1sui h LEU 179 CO 0.05 0.94 0.29 0.68 -0.00 0.00 0.00 178.44 180.41 1sui s VAL 180 N -2.74 4.43 0.00 1.22 -7.23 -1.11 0.72 120.40 115.69 1sui s VAL 180 Ca 0.01 1.42 0.00 0.00 -1.81 0.00 0.00 61.98 61.60 1sui s VAL 180 Cb 0.10 -3.64 0.00 0.00 0.56 0.00 0.00 36.38 33.40 1sui s VAL 180 CO 0.81 -0.25 0.00 1.17 -0.31 0.00 0.00 175.10 176.52 1sui n LYS 181 N -0.47 3.67 0.00 4.82 3.00 -0.82 -4.05 118.16 124.32 1sui n LYS 181 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.37 1sui n LYS 181 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.56 1sui n LYS 181 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.40 178.95 1sui n VAL 182 N 0.00 0.00 -0.01 3.15 3.14 -1.26 -3.93 118.33 119.42 1sui n VAL 182 Ca 0.00 0.38 -0.11 0.00 -2.96 0.00 0.00 64.34 61.65 1sui n VAL 182 Cb 0.00 -1.17 -0.05 0.00 -1.06 0.00 0.00 33.84 31.56 1sui n VAL 182 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 1sui h GLY 183 N 0.00 0.16 0.00 7.55 0.00 -1.95 -3.29 103.07 105.53 1sui h GLY 183 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.26 1sui h GLY 183 CO 0.00 0.06 0.00 0.61 0.00 0.00 0.00 176.54 177.21 1sui n GLY 184 N -0.99 -0.32 1.34 4.60 0.00 -1.25 -1.48 105.19 107.08 1sui n GLY 184 Ca -0.05 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1sui n GLY 184 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1sui n VAL 185 N 0.00 -6.01 -4.96 1.61 0.31 -1.14 -3.13 118.33 105.01 1sui n VAL 185 Ca 0.00 1.13 -0.32 0.00 -0.01 0.00 0.00 64.34 65.14 1sui n VAL 185 Cb 0.00 -3.82 -0.15 0.00 -0.91 0.00 0.00 33.84 28.96 1sui n VAL 185 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1sui s ILE 186 N -0.20 2.69 -0.05 2.52 1.01 -0.17 -1.76 121.20 125.23 1sui s ILE 186 Ca 0.00 -0.81 0.04 0.00 0.00 0.00 0.00 60.65 59.88 1sui s ILE 186 Cb 0.00 -2.08 -0.02 0.00 0.01 0.00 0.00 42.46 40.36 1sui s ILE 186 CO 0.00 0.55 -0.15 -0.83 0.00 0.00 0.00 174.94 174.50 1sui s GLY 187 N 0.18 1.50 -0.18 6.18 0.00 0.16 -0.05 107.32 115.12 1sui s GLY 187 Ca -0.10 -0.99 0.01 0.00 0.00 0.00 0.00 44.72 43.64 1sui s GLY 187 CO 0.06 -0.75 -0.11 -0.19 0.00 0.00 0.00 173.10 172.11 1sui s TYR 188 N -0.65 2.26 0.83 1.90 1.51 -0.77 0.77 117.35 123.20 1sui s TYR 188 Ca 0.10 -1.40 -0.11 0.00 -1.01 0.00 0.00 57.07 54.64 1sui s TYR 188 Cb -0.11 -1.60 0.09 0.00 -0.11 0.00 0.00 41.96 40.23 1sui s TYR 188 CO 0.01 -0.70 1.10 0.34 -1.11 0.00 0.00 175.55 175.18 1sui s ASP 189 N 1.45 4.19 -0.90 2.29 -1.08 -0.91 -2.03 116.67 119.68 1sui s ASP 189 Ca 0.01 1.37 0.00 0.00 -0.52 0.00 0.00 52.55 53.42 1sui s ASP 189 Cb -0.15 -2.09 0.00 0.00 -1.46 0.00 0.00 42.92 39.22 1sui s ASP 189 CO -0.09 -2.17 0.00 0.59 0.52 0.00 0.00 175.17 174.02 1sui n ASN 190 N -3.57 -4.04 0.00 -0.34 4.13 -0.13 -4.81 115.26 106.50 1sui n ASN 190 Ca 0.07 0.21 0.00 0.00 1.68 0.00 0.00 54.58 56.54 1sui n ASN 190 Cb 0.56 -3.17 0.01 0.00 -1.54 0.00 0.00 39.78 35.64 1sui n ASN 190 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 1sui n THR 191 N -1.73 0.00 -0.20 3.41 -2.24 -1.03 0.68 114.28 113.17 1sui n THR 191 Ca -0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 1sui n THR 191 Cb 0.43 -0.64 0.00 0.00 -2.10 0.00 0.00 70.33 68.02 1sui n THR 191 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1sui n LEU 192 N -0.66 0.96 -3.36 3.22 4.77 -1.16 -4.95 117.00 115.81 1sui n LEU 192 Ca 0.00 -0.96 -0.13 0.00 -0.03 0.00 0.00 56.01 54.90 1sui n LEU 192 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1sui n LEU 192 CO 0.00 0.24 -0.08 1.87 -1.33 0.00 0.00 177.39 178.09 1sui n TRP 193 N -0.08 -0.64 -0.76 -1.77 -0.00 0.22 -1.04 117.44 113.37 1sui n TRP 193 Ca 0.00 0.18 -0.02 0.00 -0.00 0.00 0.00 57.50 57.66 1sui n TRP 193 Cb 0.10 -1.01 -0.01 0.00 -0.00 0.00 0.00 31.31 30.39 1sui n TRP 193 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 177.69 175.98 1sui n ASN 194 N -0.46 -0.72 0.00 5.87 5.15 -1.26 -3.08 115.26 120.76 1sui n ASN 194 Ca -0.09 0.04 0.00 0.00 -0.60 0.00 0.00 54.58 53.94 1sui n ASN 194 Cb 0.24 -1.00 0.00 0.00 -0.53 0.00 0.00 39.78 38.49 1sui n ASN 194 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1sui n GLY 195 N 0.01 0.59 0.00 8.20 0.00 -0.20 -5.01 105.19 108.77 1sui n GLY 195 Ca -0.02 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.28 1sui n GLY 195 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1sui n SER 196 N 0.00 0.00 -4.54 1.61 3.41 -1.09 -4.23 113.62 108.78 1sui n SER 196 Ca 0.00 0.29 -0.13 0.00 -0.26 0.00 0.00 58.87 58.76 1sui n SER 196 Cb 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.85 1sui n SER 196 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1sui n VAL 197 N -0.36 0.00 -3.17 -3.33 0.24 -1.26 -4.89 118.33 105.56 1sui n VAL 197 Ca 0.00 -0.31 -0.20 0.00 -2.04 0.00 0.00 64.34 61.78 1sui n VAL 197 Cb 0.00 -1.79 0.05 0.00 -1.47 0.00 0.00 33.84 30.63 1sui n VAL 197 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1sui s VAL 198 N 14.33 2.14 0.13 3.34 1.01 -1.26 -5.02 120.40 135.07 1sui s VAL 198 Ca 0.87 -1.08 -0.34 0.00 0.00 0.00 0.00 61.98 61.44 1sui s VAL 198 Cb -0.14 -2.22 -0.17 0.00 0.00 0.00 0.00 36.38 33.85 1sui s VAL 198 CO 0.15 0.00 0.95 0.00 0.00 0.00 0.00 175.10 176.20 1sui n ALA 199 N -2.13 -2.22 -0.70 5.51 0.00 -1.26 -4.87 120.51 114.85 1sui n ALA 199 Ca 0.12 0.50 -0.23 0.00 0.00 0.00 0.00 53.44 53.83 1sui n ALA 199 Cb 0.62 -1.83 0.10 0.00 0.00 0.00 0.00 19.45 18.34 1sui n ALA 199 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1sui n PRO 200 N 1.45 -1.28 -0.76 0.00 -0.02 -1.26 -3.97 135.00 129.16 1sui n PRO 200 Ca 0.17 -0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.28 1sui n PRO 200 Cb 0.20 -1.35 0.00 0.00 -0.02 0.00 0.00 33.50 32.33 1sui n PRO 200 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1sui n PRO 201 N -0.32 0.00 -0.11 0.52 -0.02 -1.26 -2.82 135.00 130.99 1sui n PRO 201 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 1sui n PRO 201 Cb 0.45 -0.83 0.00 0.00 -0.02 0.00 0.00 33.50 33.09 1sui n PRO 201 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1sui n ASP 202 N 2.77 0.00 -4.72 2.55 5.68 -1.26 -5.13 116.55 116.44 1sui n ASP 202 Ca 0.00 -0.48 -0.37 0.00 -0.50 0.00 0.00 54.79 53.44 1sui n ASP 202 Cb 0.17 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 40.09 1sui n ASP 202 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1sui s ALA 203 N 0.00 3.55 -0.21 2.12 0.00 -1.13 -4.98 121.76 121.12 1sui s ALA 203 Ca 0.00 -0.38 -0.05 0.00 0.00 0.00 0.00 51.96 51.53 1sui s ALA 203 Cb 0.00 -2.49 -0.18 0.00 0.00 0.00 0.00 23.12 20.46 1sui s ALA 203 CO 0.00 0.03 2.75 -2.30 0.00 0.00 0.00 175.76 176.24 1sui n PRO 204 N 3.68 1.69 -3.52 0.00 -0.02 -1.26 -4.91 135.00 130.65 1sui n PRO 204 Ca -0.10 -0.91 -0.38 0.00 -2.02 0.00 0.00 63.50 60.09 1sui n PRO 204 Cb 0.52 -1.99 -0.06 0.00 -0.02 0.00 0.00 33.50 31.94 1sui n PRO 204 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 1sui s LEU 205 N 0.02 4.39 0.13 2.45 2.34 -1.26 -5.03 118.68 121.72 1sui s LEU 205 Ca 0.50 0.79 -0.35 0.00 0.06 0.00 0.00 54.13 55.13 1sui s LEU 205 Cb 0.22 -2.50 -0.16 0.00 -0.56 0.00 0.00 46.19 43.19 1sui s LEU 205 CO -0.01 0.24 1.38 0.54 -1.06 0.00 0.00 176.35 177.44 1sui n ARG 206 N 2.50 1.49 -0.31 1.48 3.00 -1.26 -4.78 116.66 118.78 1sui n ARG 206 Ca -0.13 0.53 0.24 0.00 -0.01 0.00 0.00 57.85 58.49 1sui n ARG 206 Cb 0.52 -2.19 0.55 0.00 0.00 0.00 0.00 32.46 31.35 1sui n ARG 206 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.63 177.41 1sui h LYS 207 N 4.70 0.31 -0.89 5.56 3.64 -1.99 0.78 116.57 128.68 1sui h LYS 207 Ca -0.46 -0.02 0.13 0.00 -1.27 0.00 0.00 60.65 59.03 1sui h LYS 207 Cb 1.31 -0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 32.99 1sui h LYS 207 CO 0.79 0.21 0.57 -0.92 -2.27 0.00 0.00 179.45 177.83 1sui h TYR 208 N 0.32 0.84 0.03 1.91 3.20 -2.01 -1.67 116.97 119.60 1sui h TYR 208 Ca 0.57 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.47 1sui h TYR 208 Cb 1.59 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 39.59 1sui h TYR 208 CO -0.00 0.33 -0.01 -0.39 -1.64 0.00 0.00 178.16 176.44 1sui h VAL 209 N 0.73 0.63 -1.35 1.81 -1.51 -1.19 -3.27 116.25 112.10 1sui h VAL 209 Ca 0.44 -1.42 0.39 0.00 -1.23 0.00 0.00 66.70 64.88 1sui h VAL 209 Cb 0.65 1.18 -0.07 0.00 -2.13 0.00 0.00 31.29 30.92 1sui h VAL 209 CO -0.20 0.21 0.95 -0.09 -1.23 0.00 0.00 177.57 177.21 1sui h ARG 210 N -0.99 0.06 0.04 5.19 2.43 -1.37 0.40 114.38 120.14 1sui h ARG 210 Ca -0.00 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1sui h ARG 210 Cb 0.37 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 1sui h ARG 210 CO 0.01 0.04 -0.02 -0.92 -1.51 0.00 0.00 179.97 177.57 1sui h TYR 211 N 0.06 -0.05 0.00 2.20 3.20 -1.39 -3.17 116.97 117.82 1sui h TYR 211 Ca 0.68 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 62.44 1sui h TYR 211 Cb 2.52 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 40.79 1sui h TYR 211 CO -0.00 0.26 -0.50 1.88 -1.64 0.00 0.00 178.16 178.16 1sui h TYR 212 N -0.35 0.00 -0.26 -3.82 0.05 -0.75 -3.28 116.97 108.55 1sui h TYR 212 Ca -0.01 0.00 0.06 0.00 0.05 0.00 0.00 58.73 58.84 1sui h TYR 212 Cb 0.33 0.00 -0.07 0.00 1.01 0.00 0.00 36.73 38.00 1sui h TYR 212 CO 0.03 0.50 -0.22 -0.09 -1.05 0.00 0.00 178.16 177.33 1sui h ARG 213 N 0.00 -0.20 -0.72 4.88 2.43 -0.35 -1.95 114.38 118.47 1sui h ARG 213 Ca -0.00 0.01 0.15 0.00 -0.81 0.00 0.00 59.98 59.33 1sui h ARG 213 Cb 1.31 0.05 -0.13 0.00 -0.42 0.00 0.00 29.97 30.77 1sui h ARG 213 CO 0.06 -0.13 -0.13 -0.44 -1.51 0.00 0.00 179.97 177.82 1sui h ASP 214 N -0.21 -0.59 -0.79 -3.80 5.19 -1.61 0.43 116.42 115.05 1sui h ASP 214 Ca 0.14 0.21 -0.03 0.00 -0.62 0.00 0.00 57.03 56.73 1sui h ASP 214 Cb 0.43 0.42 -0.04 0.00 0.18 0.00 0.00 39.33 40.32 1sui h ASP 214 CO -0.39 -0.22 0.37 -0.26 -3.12 0.00 0.00 179.24 175.62 1sui h PHE 215 N 0.02 1.14 0.58 4.55 0.04 -1.54 -2.38 116.94 119.36 1sui h PHE 215 Ca 0.36 -0.06 -0.03 0.00 2.80 0.00 0.00 57.97 61.04 1sui h PHE 215 Cb 0.57 -0.35 0.01 0.00 2.20 0.00 0.00 35.95 38.38 1sui h PHE 215 CO -0.54 0.84 -0.28 0.28 -0.60 0.00 0.00 178.31 178.01 1sui h VAL 216 N 1.12 0.35 -0.90 -0.55 2.07 -0.07 0.36 116.25 118.63 1sui h VAL 216 Ca 0.27 -0.25 0.25 0.00 0.82 0.00 0.00 66.70 67.79 1sui h VAL 216 Cb 0.13 0.44 -0.15 0.00 -1.52 0.00 0.00 31.29 30.19 1sui h VAL 216 CO -0.03 0.03 0.19 -0.07 0.02 0.00 0.00 177.57 177.72 1sui h LEU 217 N -0.95 -0.10 -0.28 2.57 3.38 -0.19 0.51 115.31 120.24 1sui h LEU 217 Ca -0.08 0.22 -0.18 0.00 0.09 0.00 0.00 57.88 57.93 1sui h LEU 217 Cb 0.65 0.32 -0.03 0.00 0.09 0.00 0.00 40.66 41.69 1sui h LEU 217 CO 0.13 -0.22 -0.86 -0.08 0.09 0.00 0.00 178.44 177.51 1sui h GLU 218 N 0.15 0.00 -0.22 1.13 4.22 -1.27 -2.27 114.58 116.32 1sui h GLU 218 Ca 0.57 0.00 -0.09 0.00 0.08 0.00 0.00 59.36 59.92 1sui h GLU 218 Cb 1.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 1sui h GLU 218 CO -0.72 0.86 -0.23 1.25 -2.18 0.00 0.00 179.01 177.99 1sui h LEU 219 N 0.00 0.41 0.14 1.64 7.12 0.41 -1.46 115.31 123.57 1sui h LEU 219 Ca -0.01 -0.13 -0.01 0.00 0.13 0.00 0.00 57.88 57.87 1sui h LEU 219 Cb 1.52 -0.11 0.00 0.00 -0.53 0.00 0.00 40.66 41.54 1sui h LEU 219 CO 0.11 0.65 -0.07 0.78 -0.13 0.00 0.00 178.44 179.79 1sui h ASN 220 N 0.37 -0.15 -0.94 1.25 -0.26 -0.58 -2.00 115.58 113.27 1sui h ASN 220 Ca 0.06 -0.40 0.10 0.00 -0.56 0.00 0.00 56.30 55.50 1sui h ASN 220 Cb 0.62 0.04 -0.08 0.00 -1.06 0.00 0.00 38.32 37.84 1sui h ASN 220 CO 0.04 0.41 0.58 0.11 -1.06 0.00 0.00 177.43 177.51 1sui h LYS 221 N -0.83 0.94 0.13 0.81 1.79 -1.37 0.13 116.57 118.18 1sui h LYS 221 Ca -0.02 -0.06 -0.01 0.00 -2.18 0.00 0.00 60.65 58.39 1sui h LYS 221 Cb 0.54 -0.21 0.00 0.00 -1.58 0.00 0.00 32.23 30.98 1sui h LYS 221 CO 0.03 0.62 -0.06 0.00 -1.08 0.00 0.00 179.45 178.96 1sui h ALA 222 N 1.49 -0.17 -0.44 3.86 0.00 -1.32 -2.88 119.26 119.79 1sui h ALA 222 Ca 0.45 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.17 1sui h ALA 222 Cb 0.37 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1sui h ALA 222 CO -0.24 -0.47 0.12 1.25 0.00 0.00 0.00 179.25 179.92 1sui h LEU 223 N -0.43 0.59 -1.53 0.00 5.85 -0.96 -2.15 115.31 116.68 1sui h LEU 223 Ca -0.02 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 1sui h LEU 223 Cb 0.35 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 1sui h LEU 223 CO 0.03 0.58 0.15 0.00 -0.34 0.00 0.00 178.44 178.86 1sui h ALA 224 N 1.50 1.64 0.00 1.25 0.00 -0.65 -3.07 119.26 119.93 1sui h ALA 224 Ca 0.15 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1sui h ALA 224 Cb 0.22 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1sui h ALA 224 CO -0.01 0.30 -1.37 0.28 0.00 0.00 0.00 179.25 178.45 1sui n VAL 225 N -4.42 0.46 -1.66 0.00 0.31 -0.92 -4.91 118.33 107.20 1sui n VAL 225 Ca 0.02 -0.55 -0.49 0.00 -0.01 0.00 0.00 64.34 63.31 1sui n VAL 225 Cb 0.12 -0.25 -0.05 0.00 -0.91 0.00 0.00 33.84 32.75 1sui n VAL 225 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1sui n ASP 226 N -2.55 3.20 0.00 4.52 -0.08 -0.86 -4.82 116.55 115.96 1sui n ASP 226 Ca -0.02 0.89 0.00 0.00 -1.51 0.00 0.00 54.79 54.15 1sui n ASP 226 Cb 0.58 -1.34 0.00 0.00 2.34 0.00 0.00 41.12 42.70 1sui n ASP 226 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1sui n PRO 227 N 6.77 0.98 0.00 -0.67 -0.02 -1.26 -3.24 135.00 137.56 1sui n PRO 227 Ca 0.25 0.00 0.06 0.00 -2.02 0.00 0.00 63.50 61.80 1sui n PRO 227 Cb 0.28 -1.00 0.05 0.00 -0.02 0.00 0.00 33.50 32.81 1sui n PRO 227 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1sui n ARG 228 N -0.50 0.81 -4.14 -0.52 1.74 -1.26 -4.59 116.66 108.19 1sui n ARG 228 Ca 0.00 -1.24 -0.11 0.00 -0.77 0.00 0.00 57.85 55.73 1sui n ARG 228 Cb 0.00 -1.24 -0.10 0.00 -1.02 0.00 0.00 32.46 30.10 1sui n ARG 228 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 1sui s ILE 229 N -1.08 0.63 -0.22 0.55 -4.36 -1.20 0.17 121.20 115.69 1sui s ILE 229 Ca 0.15 -1.73 0.03 0.00 -0.26 0.00 0.00 60.65 58.83 1sui s ILE 229 Cb 0.11 -1.43 -0.16 0.00 1.25 0.00 0.00 42.46 42.23 1sui s ILE 229 CO 0.16 -0.77 -0.18 -0.62 0.24 0.00 0.00 174.94 173.77 1sui n GLU 230 N 0.31 0.62 -1.34 0.37 1.02 -0.17 -4.86 120.64 116.60 1sui n GLU 230 Ca -0.15 0.12 0.05 0.00 -0.02 0.00 0.00 57.16 57.16 1sui n GLU 230 Cb 0.59 -1.46 -0.03 0.00 -0.02 0.00 0.00 31.44 30.53 1sui n GLU 230 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 1sui n ILE 231 N -3.12 -1.55 -3.52 -3.67 -5.35 -1.24 -4.89 119.36 96.01 1sui n ILE 231 Ca -0.39 0.91 0.00 0.00 -0.27 0.00 0.00 62.75 62.99 1sui n ILE 231 Cb 0.95 -1.47 -0.04 0.00 -1.74 0.00 0.00 39.64 37.34 1sui n ILE 231 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1sui s MET 233 N 2.80 3.19 0.04 0.00 -1.94 -1.26 -1.75 119.30 120.38 1sui s MET 233 Ca -0.02 -1.26 -0.18 0.00 -1.71 0.00 0.00 55.69 52.52 1sui s MET 233 Cb -0.11 -4.38 -0.06 0.00 2.01 0.00 0.00 34.83 32.29 1sui s MET 233 CO -0.19 -1.68 0.51 -0.51 -0.01 0.00 0.00 175.02 173.14 1sui s LEU 234 N 3.11 4.50 -1.09 -0.03 1.43 -0.81 -4.93 118.68 120.86 1sui s LEU 234 Ca 0.20 1.14 -0.06 0.00 -1.03 0.00 0.00 54.13 54.38 1sui s LEU 234 Cb -0.17 -2.78 0.00 0.00 0.03 0.00 0.00 46.19 43.27 1sui s LEU 234 CO 0.04 0.28 2.77 -0.81 0.23 0.00 0.00 176.35 178.86 1sui n PRO 235 N 1.83 3.65 -3.40 1.29 -0.04 -1.26 -1.40 135.00 135.66 1sui n PRO 235 Ca -0.11 -2.61 -0.40 0.00 -0.04 0.00 0.00 63.50 60.33 1sui n PRO 235 Cb 0.51 -2.51 -0.09 0.00 -0.04 0.00 0.00 33.50 31.37 1sui n PRO 235 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1sui s VAL 236 N -0.17 5.17 0.00 0.52 1.01 -1.26 -4.76 120.40 120.91 1sui s VAL 236 Ca 0.61 0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.84 1sui s VAL 236 Cb 0.24 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.85 1sui s VAL 236 CO -0.10 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.62 1sui n GLY 237 N 4.86 1.07 1.21 4.51 0.00 -1.26 -1.06 105.19 114.52 1sui n GLY 237 Ca -0.09 0.37 0.06 0.00 0.00 0.00 0.00 46.02 46.36 1sui n GLY 237 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1sui n ASP 238 N 10.08 4.22 0.00 1.61 2.03 -1.26 -4.39 116.55 128.84 1sui n ASP 238 Ca 0.00 -3.09 0.00 0.00 0.52 0.00 0.00 54.79 52.22 1sui n ASP 238 Cb 0.00 -0.60 0.00 0.00 -0.72 0.00 0.00 41.12 39.80 1sui n ASP 238 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1sui n GLY 239 N -0.32 -0.81 2.75 0.27 0.00 -0.22 -3.00 105.19 103.87 1sui n GLY 239 Ca 0.25 -1.18 -0.20 0.00 0.00 0.00 0.00 46.02 44.89 1sui n GLY 239 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sui s ILE 240 N -0.54 0.16 -0.34 -0.61 1.01 -0.50 -0.96 121.20 119.43 1sui s ILE 240 Ca 0.00 0.21 -0.17 0.00 0.00 0.00 0.00 60.65 60.69 1sui s ILE 240 Cb 0.00 -0.33 -0.01 0.00 0.01 0.00 0.00 42.46 42.13 1sui s ILE 240 CO 0.00 0.20 0.44 -0.89 0.00 0.00 0.00 174.94 174.69 1sui s THR 241 N 1.74 5.09 -0.04 2.92 2.01 -0.86 -1.92 115.64 124.58 1sui s THR 241 Ca 0.00 0.24 -0.19 0.00 0.31 0.00 0.00 61.69 62.05 1sui s THR 241 Cb -0.13 -3.89 -0.05 0.00 0.01 0.00 0.00 72.50 68.45 1sui s THR 241 CO -0.03 -0.14 0.55 -0.63 -0.69 0.00 0.00 174.62 173.68 1sui s ILE 242 N 2.21 5.00 -0.04 1.82 1.09 -0.72 -1.85 121.20 128.72 1sui s ILE 242 Ca 0.16 1.14 0.07 0.00 -1.10 0.00 0.00 60.65 60.92 1sui s ILE 242 Cb -0.16 -3.89 -0.02 0.00 -1.06 0.00 0.00 42.46 37.34 1sui s ILE 242 CO 0.12 0.40 -0.25 0.00 -0.10 0.00 0.00 174.94 175.12 1sui s ARG 244 N -0.40 2.82 0.04 0.00 3.52 -1.26 -1.00 118.95 122.67 1sui s ARG 244 Ca 0.04 -0.83 -0.31 0.00 -0.13 0.00 0.00 55.73 54.51 1sui s ARG 244 Cb -0.11 -2.52 -0.06 0.00 -1.56 0.00 0.00 34.95 30.69 1sui s ARG 244 CO 0.01 -0.24 1.35 0.50 -0.81 0.00 0.00 175.30 176.11 1sui s ARG 245 N 1.31 4.32 -0.09 5.12 3.52 -0.55 -1.00 118.95 131.58 1sui s ARG 245 Ca 0.04 1.94 0.07 0.00 -0.13 0.00 0.00 55.73 57.65 1sui s ARG 245 Cb -0.13 -3.44 -0.11 0.00 -1.56 0.00 0.00 34.95 29.70 1sui s ARG 245 CO -0.12 -0.47 0.02 0.44 -0.81 0.00 0.00 175.30 174.35 1sui n ILE 246 N 4.33 0.64 0.34 4.11 -5.35 0.45 -4.01 119.36 119.87 1sui n ILE 246 Ca 0.12 -0.38 0.04 0.00 -0.27 0.00 0.00 62.75 62.26 1sui n ILE 246 Cb 0.44 -0.77 0.03 0.00 -1.74 0.00 0.00 39.64 37.60 1sui n ILE 246 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08