#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 1.89 -0.48 3.14 3.41 -1.26 -5.04 113.62 115.28 1sui n SER 22 Ca 0.00 -0.90 0.13 0.00 -0.26 0.00 0.00 58.87 57.84 1sui n SER 22 Cb 0.00 0.00 0.35 0.00 -0.26 0.00 0.00 64.21 64.30 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 1.65 -4.95 1.04 4.77 -1.26 -4.93 117.00 113.31 1sui n LEU 23 Ca 0.00 -0.53 -0.26 0.00 -0.03 0.00 0.00 56.01 55.18 1sui n LEU 23 Cb 0.00 -0.04 0.12 0.00 -2.33 0.00 0.00 43.42 41.17 1sui n LEU 23 CO 0.00 0.29 0.67 -0.76 -1.33 0.00 0.00 177.39 176.26 1sui s LEU 24 N -2.21 2.85 0.52 2.23 1.43 -1.26 -4.96 118.68 117.27 1sui s LEU 24 Ca 0.30 0.10 0.25 0.00 -1.03 0.00 0.00 54.13 53.75 1sui s LEU 24 Cb 0.20 -2.45 1.44 0.00 0.03 0.00 0.00 46.19 45.41 1sui s LEU 24 CO 0.42 -2.05 2.10 0.06 0.23 0.00 0.00 176.35 177.10 1sui h GLN 25 N -0.90 0.00 -2.30 1.70 3.07 -2.00 -3.45 115.11 111.23 1sui h GLN 25 Ca -0.42 0.00 -0.07 0.00 0.09 0.00 0.00 58.65 58.25 1sui h GLN 25 Cb 1.27 0.00 -0.21 0.00 0.08 0.00 0.00 27.48 28.63 1sui h GLN 25 CO 0.46 0.10 0.02 -1.54 0.09 0.00 0.00 178.83 177.96 1sui s SER 26 N -6.34 -0.57 0.52 0.06 1.04 -1.26 -5.01 113.70 102.15 1sui s SER 26 Ca -0.04 0.86 0.18 0.00 0.48 0.00 0.00 55.95 57.43 1sui s SER 26 Cb 0.14 0.84 1.32 0.00 0.10 0.00 0.00 66.02 68.42 1sui s SER 26 CO 0.60 -0.39 2.15 0.44 0.98 0.00 0.00 173.24 177.02 1sui h ASP 27 N 4.22 0.00 -0.59 7.02 3.32 -1.96 0.11 116.42 128.54 1sui h ASP 27 Ca -0.28 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.70 1sui h ASP 27 Cb 1.16 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.68 1sui h ASP 27 CO 0.26 0.02 0.09 0.00 -1.72 0.00 0.00 179.24 177.89 1sui h ALA 28 N 1.98 1.00 -0.21 3.45 0.00 -1.98 0.22 119.26 123.72 1sui h ALA 28 Ca -0.00 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.54 1sui h ALA 28 Cb 0.03 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 1sui h ALA 28 CO 0.00 0.63 -0.30 1.25 0.00 0.00 0.00 179.25 180.84 1sui h LEU 29 N 0.95 0.62 -0.81 0.00 5.85 -1.25 -1.47 115.31 119.19 1sui h LEU 29 Ca 0.19 -0.52 -0.04 0.00 0.84 0.00 0.00 57.88 58.35 1sui h LEU 29 Cb 0.42 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 1sui h LEU 29 CO 0.01 1.01 0.34 0.22 -0.34 0.00 0.00 178.44 179.68 1sui h TYR 30 N 0.24 1.22 -0.39 1.25 5.03 -0.97 -2.04 116.97 121.31 1sui h TYR 30 Ca 0.02 -0.08 -0.02 0.00 2.58 0.00 0.00 58.73 61.23 1sui h TYR 30 Cb 0.88 -0.37 -0.02 0.00 1.55 0.00 0.00 36.73 38.77 1sui h TYR 30 CO 0.09 0.91 0.15 1.96 -1.32 0.00 0.00 178.16 179.94 1sui h GLN 31 N 1.17 0.55 -0.44 1.82 1.08 -0.46 -2.08 115.11 116.75 1sui h GLN 31 Ca 0.27 -0.07 -0.01 0.00 -1.45 0.00 0.00 58.65 57.39 1sui h GLN 31 Cb 0.19 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.50 1sui h GLN 31 CO -0.03 0.46 0.25 -0.92 -0.95 0.00 0.00 178.83 177.64 1sui h TYR 32 N 0.55 0.60 0.47 2.96 3.20 -0.56 0.31 116.97 124.49 1sui h TYR 32 Ca 0.13 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.97 1sui h TYR 32 Cb 0.12 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.20 1sui h TYR 32 CO 0.01 0.44 -0.22 0.82 -1.64 0.00 0.00 178.16 177.56 1sui h ILE 33 N 0.58 0.54 0.12 1.81 2.04 -0.97 0.12 117.51 121.75 1sui h ILE 33 Ca 0.16 -0.03 0.02 0.00 1.00 0.00 0.00 64.86 66.00 1sui h ILE 33 Cb 0.04 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 36.64 1sui h ILE 33 CO -0.03 0.01 -0.24 -0.07 0.00 0.00 0.00 178.15 177.82 1sui h LEU 34 N -0.65 -0.69 -1.09 1.44 3.38 -1.21 0.36 115.31 116.86 1sui h LEU 34 Ca -0.06 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1sui h LEU 34 Cb 0.49 0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.46 1sui h LEU 34 CO 0.11 -0.33 0.55 -0.33 0.09 0.00 0.00 178.44 178.52 1sui h GLU 35 N -0.45 1.17 0.00 1.13 5.08 -0.29 -0.70 114.58 120.51 1sui h GLU 35 Ca 0.03 -0.09 -0.07 0.00 -1.00 0.00 0.00 59.36 58.23 1sui h GLU 35 Cb 0.47 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1sui h GLU 35 CO -0.14 0.80 -1.40 0.25 -1.00 0.00 0.00 179.01 177.52 1sui n THR 36 N -4.38 0.72 0.01 1.13 -2.24 0.43 -4.39 114.28 105.55 1sui n THR 36 Ca 0.10 -0.60 0.01 0.00 -2.27 0.00 0.00 64.05 61.28 1sui n THR 36 Cb 0.04 -0.40 -0.01 0.00 -2.10 0.00 0.00 70.33 67.86 1sui n THR 36 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1sui n SER 37 N -2.67 4.06 -0.05 3.42 3.41 0.12 -4.86 113.62 117.06 1sui n SER 37 Ca -0.06 -0.07 -0.10 0.00 -0.26 0.00 0.00 58.87 58.39 1sui n SER 37 Cb 0.68 1.05 -0.03 0.00 -0.26 0.00 0.00 64.21 65.65 1sui n SER 37 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1sui n VAL 38 N -1.48 1.15 0.00 -3.33 0.31 -0.36 -4.50 118.33 110.12 1sui n VAL 38 Ca -0.00 0.07 -0.09 0.00 -0.01 0.00 0.00 64.34 64.30 1sui n VAL 38 Cb 0.03 -1.88 -0.03 0.00 -0.91 0.00 0.00 33.84 31.06 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 -0.54 -0.46 0.00 3.52 0.04 -1.56 0.97 116.94 118.91 1sui h PHE 39 Ca -0.16 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.63 1sui h PHE 39 Cb 0.87 0.22 -0.00 0.00 2.20 0.00 0.00 35.95 39.24 1sui h PHE 39 CO -0.16 -0.25 -0.03 -1.00 -0.60 0.00 0.00 178.31 176.28 1sui h PRO 40 N -0.23 0.00 0.00 1.51 0.13 -1.80 -3.14 132.00 128.47 1sui h PRO 40 Ca 0.09 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.98 1sui h PRO 40 Cb 0.36 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.45 1sui h PRO 40 CO -0.25 0.03 -2.22 0.54 -0.23 0.00 0.00 178.00 175.86 1sui n ARG 41 N -3.95 0.75 -1.45 0.86 5.12 -0.66 -5.03 116.66 112.31 1sui n ARG 41 Ca -0.03 -0.07 -0.36 0.00 -1.93 0.00 0.00 57.85 55.47 1sui n ARG 41 Cb 0.11 -1.50 0.09 0.00 -1.16 0.00 0.00 32.46 30.00 1sui n ARG 41 CO 0.00 0.00 0.00 -0.85 -1.93 0.00 0.00 177.63 174.85 1sui n GLU 42 N -2.57 0.66 -2.51 5.56 0.28 0.33 -4.98 120.64 117.40 1sui n GLU 42 Ca -0.23 0.28 -0.37 0.00 -0.16 0.00 0.00 57.16 56.69 1sui n GLU 42 Cb 0.95 -2.34 -0.04 0.00 1.43 0.00 0.00 31.44 31.45 1sui n GLU 42 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 1sui s HIS 43 N -1.72 3.24 0.15 -1.84 5.65 -1.26 -4.97 115.29 114.55 1sui s HIS 43 Ca 0.76 1.63 -0.22 0.00 0.25 0.00 0.00 55.06 57.49 1sui s HIS 43 Cb -0.35 -3.16 0.04 0.00 -1.18 0.00 0.00 32.58 27.93 1sui s HIS 43 CO 0.47 -0.72 1.63 0.93 -0.65 0.00 0.00 174.74 176.41 1sui h GLU 44 N 2.52 -0.20 -1.12 2.88 4.39 -1.99 -0.31 114.58 120.74 1sui h GLU 44 Ca -0.48 0.01 0.31 0.00 0.34 0.00 0.00 59.36 59.54 1sui h GLU 44 Cb 1.22 0.05 -0.08 0.00 -0.10 0.00 0.00 28.75 29.83 1sui h GLU 44 CO 0.62 -0.14 0.75 0.00 -1.16 0.00 0.00 179.01 179.09 1sui h ALA 45 N 0.89 2.56 -0.48 3.43 0.00 -1.95 0.30 119.26 124.01 1sui h ALA 45 Ca 0.15 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.99 1sui h ALA 45 Cb 0.44 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1sui h ALA 45 CO -0.41 -0.98 -0.15 0.52 0.00 0.00 0.00 179.25 178.24 1sui h MET 46 N 0.24 0.91 -0.09 0.00 2.86 -1.43 -1.82 114.93 115.60 1sui h MET 46 Ca 0.62 -0.34 -0.15 0.00 -2.06 0.00 0.00 59.70 57.76 1sui h MET 46 Cb 1.88 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 33.47 1sui h MET 46 CO -0.23 0.99 -0.61 -0.22 1.06 0.00 0.00 176.91 177.91 1sui h LYS 47 N 0.81 0.31 -0.26 1.72 3.64 -0.33 -2.18 116.57 120.27 1sui h LYS 47 Ca 0.12 -0.22 -0.02 0.00 -1.27 0.00 0.00 60.65 59.27 1sui h LYS 47 Cb 0.68 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.52 1sui h LYS 47 CO 0.05 0.82 0.08 0.93 -2.27 0.00 0.00 179.45 179.06 1sui h GLU 48 N 0.23 0.41 0.00 1.90 5.08 -1.15 -1.93 114.58 119.12 1sui h GLU 48 Ca -0.01 -0.09 -0.06 0.00 -1.00 0.00 0.00 59.36 58.21 1sui h GLU 48 Cb 1.12 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 1sui h GLU 48 CO 0.10 0.49 -0.28 1.25 -1.00 0.00 0.00 179.01 179.57 1sui h LEU 49 N 0.25 0.00 -0.06 1.33 5.85 -1.30 -0.24 115.31 121.14 1sui h LEU 49 Ca 0.08 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 1sui h LEU 49 Cb 0.25 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.28 1sui h LEU 49 CO -0.00 0.28 -0.08 0.03 -0.34 0.00 0.00 178.44 178.32 1sui h ARG 50 N 0.00 0.15 -0.55 1.25 3.08 -1.08 -0.81 114.38 116.42 1sui h ARG 50 Ca -0.00 -0.09 0.01 0.00 0.07 0.00 0.00 59.98 59.97 1sui h ARG 50 Cb 0.68 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.71 1sui h ARG 50 CO 0.04 0.64 0.35 0.93 -1.07 0.00 0.00 179.97 180.86 1sui h GLU 51 N -0.32 0.70 0.02 0.04 5.08 -1.15 -0.34 114.58 118.60 1sui h GLU 51 Ca 0.01 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.35 1sui h GLU 51 Cb 0.62 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 1sui h GLU 51 CO 0.02 0.46 -0.19 0.28 -1.00 0.00 0.00 179.01 178.58 1sui h VAL 52 N 0.72 0.54 -0.15 3.13 2.07 -0.99 -0.46 116.25 121.11 1sui h VAL 52 Ca 0.21 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.77 1sui h VAL 52 Cb -0.05 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 1sui h VAL 52 CO -0.06 0.00 0.12 0.74 0.02 0.00 0.00 177.57 178.39 1sui h THR 53 N -0.32 0.78 0.00 2.57 2.02 -0.65 0.00 112.91 117.31 1sui h THR 53 Ca 0.05 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.23 1sui h THR 53 Cb 0.39 0.91 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 1sui h THR 53 CO -0.17 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.72 1sui h ALA 54 N 1.90 1.00 -0.83 6.16 0.00 0.65 -2.71 119.26 125.43 1sui h ALA 54 Ca 0.07 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.44 1sui h ALA 54 Cb 0.32 0.00 -0.29 0.00 0.00 0.00 0.00 17.79 17.81 1sui h ALA 54 CO -0.00 0.00 0.31 1.63 0.00 0.00 0.00 179.25 181.19 1sui n LYS 55 N -2.63 2.67 -3.47 0.00 5.02 -0.01 -4.96 118.16 114.77 1sui n LYS 55 Ca 0.01 -3.42 -0.38 0.00 -2.02 0.00 0.00 58.31 52.50 1sui n LYS 55 Cb 0.22 -2.19 -0.08 0.00 -0.02 0.00 0.00 35.03 32.96 1sui n LYS 55 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1sui s HIS 56 N -3.59 3.34 0.11 2.13 2.46 -1.02 -4.96 115.29 113.75 1sui s HIS 56 Ca 0.57 0.46 0.02 0.00 0.47 0.00 0.00 55.06 56.59 1sui s HIS 56 Cb 0.47 -2.45 0.30 0.00 -0.13 0.00 0.00 32.58 30.76 1sui s HIS 56 CO 0.02 -0.02 0.52 -2.30 -2.47 0.00 0.00 174.74 170.49 1sui n PRO 57 N 4.55 -0.02 -3.57 2.88 -0.02 -1.26 -2.26 135.00 135.29 1sui n PRO 57 Ca -0.10 0.49 -0.27 0.00 -2.02 0.00 0.00 63.50 61.59 1sui n PRO 57 Cb 0.51 -0.79 -0.11 0.00 -0.02 0.00 0.00 33.50 33.09 1sui n PRO 57 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 1sui n TRP 58 N -4.15 0.62 -1.90 6.00 2.14 -1.26 -5.02 117.44 113.87 1sui n TRP 58 Ca 0.09 -3.68 -0.30 0.00 2.07 0.00 0.00 57.50 55.68 1sui n TRP 58 Cb 0.29 -0.07 -0.06 0.00 -0.81 0.00 0.00 31.31 30.66 1sui n TRP 58 CO 0.00 0.00 0.00 0.27 2.07 0.00 0.00 177.69 180.03 1sui n ASN 59 N 2.47 2.90 -0.70 -0.67 6.94 -0.96 -4.58 115.26 120.67 1sui n ASN 59 Ca 0.26 -2.69 0.12 0.00 -0.02 0.00 0.00 54.58 52.26 1sui n ASN 59 Cb 0.43 -1.64 0.11 0.00 -2.36 0.00 0.00 39.78 36.32 1sui n ASN 59 CO 0.00 0.00 0.00 2.30 -1.03 0.00 0.00 177.26 178.53 1sui n ILE 60 N 7.60 0.00 -0.25 1.53 -5.35 -1.26 -5.02 119.36 116.61 1sui n ILE 60 Ca 0.45 -0.36 0.00 0.00 -0.27 0.00 0.00 62.75 62.57 1sui n ILE 60 Cb 0.46 1.26 0.00 0.00 -1.74 0.00 0.00 39.64 39.62 1sui n ILE 60 CO 0.00 0.00 0.00 1.15 -1.76 0.00 0.00 176.55 175.94 1sui n MET 61 N 0.60 0.00 -0.18 6.28 0.00 -1.26 -5.18 117.12 117.38 1sui n MET 61 Ca 0.12 0.00 0.02 0.00 0.00 0.00 0.00 57.70 57.85 1sui n MET 61 Cb 0.52 0.00 -0.01 0.00 0.00 0.00 0.00 33.22 33.73 1sui n MET 61 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 1sui n THR 62 N 0.00 0.00 -2.58 3.17 5.66 -1.26 -5.03 114.28 114.25 1sui n THR 62 Ca 0.00 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 60.99 1sui n THR 62 Cb 0.00 -0.06 -0.01 0.00 -1.55 0.00 0.00 70.33 68.71 1sui n THR 62 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1sui n THR 63 N -0.96 -4.89 -3.99 1.09 -1.04 -1.26 -5.01 114.28 98.22 1sui n THR 63 Ca 0.00 1.02 -0.31 0.00 -2.04 0.00 0.00 64.05 62.72 1sui n THR 63 Cb 0.52 -3.54 -0.15 0.00 -1.82 0.00 0.00 70.33 65.34 1sui n THR 63 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1sui s SER 64 N -0.22 4.42 0.36 8.00 0.01 -1.26 -4.99 113.70 120.02 1sui s SER 64 Ca -0.06 -1.67 0.18 0.00 1.31 0.00 0.00 55.95 55.71 1sui s SER 64 Cb 0.00 -1.44 1.16 0.00 0.21 0.00 0.00 66.02 65.95 1sui s SER 64 CO 0.16 -0.29 1.67 0.00 0.41 0.00 0.00 173.24 175.18 1sui h ALA 65 N 7.77 2.13 0.00 1.44 0.00 -2.02 0.13 119.26 128.71 1sui h ALA 65 Ca -0.12 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1sui h ALA 65 Cb 1.04 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1sui h ALA 65 CO 0.47 -0.72 0.00 0.38 0.00 0.00 0.00 179.25 179.38 1sui h ASP 66 N 0.28 0.00 1.04 0.00 2.03 -1.99 -3.15 116.42 114.63 1sui h ASP 66 Ca 0.74 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 57.01 1sui h ASP 66 Cb 1.82 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 40.32 1sui h ASP 66 CO -0.54 0.00 -0.15 -0.33 -1.03 0.00 0.00 179.24 177.19 1sui h GLU 67 N 0.00 0.00 0.23 4.15 5.08 -1.11 -2.72 114.58 120.21 1sui h GLU 67 Ca 0.00 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.03 1sui h GLU 67 Cb 0.43 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.71 1sui h GLU 67 CO 0.00 0.15 -1.48 0.78 -1.00 0.00 0.00 179.01 177.45 1sui h GLY 68 N 2.22 0.56 1.01 -3.84 0.00 -1.68 -1.81 103.07 99.52 1sui h GLY 68 Ca -0.00 -1.42 -0.03 0.00 0.00 0.00 0.00 47.33 45.88 1sui h GLY 68 CO 0.02 1.24 0.31 -1.61 0.00 0.00 0.00 176.54 176.50 1sui h GLN 69 N 0.13 0.97 0.64 4.80 4.15 -1.68 0.34 115.11 124.46 1sui h GLN 69 Ca -0.25 -0.15 -0.03 0.00 0.77 0.00 0.00 58.65 58.99 1sui h GLN 69 Cb 2.14 -0.17 0.01 0.00 0.21 0.00 0.00 27.48 29.66 1sui h GLN 69 CO 0.25 0.78 -0.31 0.35 -1.93 0.00 0.00 178.83 177.98 1sui h PHE 70 N 0.93 -0.80 -0.81 3.99 3.57 -1.51 -1.99 116.94 120.32 1sui h PHE 70 Ca 0.23 -0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.83 1sui h PHE 70 Cb 0.14 0.26 -0.06 0.00 2.79 0.00 0.00 35.95 39.09 1sui h PHE 70 CO 0.01 -0.46 0.53 -0.07 -2.23 0.00 0.00 178.31 176.08 1sui h LEU 71 N -1.14 0.59 0.80 0.59 3.38 -1.29 -0.10 115.31 118.14 1sui h LEU 71 Ca -0.09 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 1sui h LEU 71 Cb 0.70 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 1sui h LEU 71 CO 0.14 0.33 -0.46 -1.28 0.09 0.00 0.00 178.44 177.26 1sui h SER 72 N 0.64 -1.15 0.08 -0.43 0.87 -0.89 -1.07 113.55 111.60 1sui h SER 72 Ca 0.39 0.06 0.02 0.00 -1.23 0.00 0.00 61.79 61.02 1sui h SER 72 Cb 0.61 0.33 -0.05 0.00 -0.44 0.00 0.00 62.40 62.85 1sui h SER 72 CO -0.15 -0.73 -0.49 -0.03 -0.53 0.00 0.00 176.83 174.89 1sui h MET 73 N -1.17 -0.67 -0.56 2.24 1.85 -0.55 -1.28 114.93 114.79 1sui h MET 73 Ca -0.11 0.05 0.11 0.00 -0.61 0.00 0.00 59.70 59.14 1sui h MET 73 Cb 0.93 0.15 -0.11 0.00 0.43 0.00 0.00 31.60 33.01 1sui h MET 73 CO 0.12 -0.45 -0.24 1.25 -0.40 0.00 0.00 176.91 177.20 1sui h LEU 74 N -0.70 -0.84 -0.23 3.39 6.46 -1.01 0.48 115.31 122.86 1sui h LEU 74 Ca 0.01 0.20 0.00 0.00 -0.12 0.00 0.00 57.88 57.97 1sui h LEU 74 Cb 0.73 0.46 -0.01 0.00 -0.73 0.00 0.00 40.66 41.11 1sui h LEU 74 CO -0.30 -0.26 0.15 -0.07 -0.62 0.00 0.00 178.44 177.34 1sui h LEU 75 N -0.10 0.25 -0.45 2.25 3.38 -0.90 -0.69 115.31 119.04 1sui h LEU 75 Ca 0.25 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.25 1sui h LEU 75 Cb 0.50 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 1sui h LEU 75 CO -0.63 0.18 0.24 0.11 0.09 0.00 0.00 178.44 178.44 1sui h LYS 76 N 0.30 0.47 -0.77 1.13 1.79 -0.50 -1.20 116.57 117.79 1sui h LYS 76 Ca 0.08 -0.03 -0.02 0.00 -2.18 0.00 0.00 60.65 58.50 1sui h LYS 76 Cb -0.03 -0.11 -0.04 0.00 -1.58 0.00 0.00 32.23 30.47 1sui h LYS 76 CO -0.02 0.31 0.40 -0.07 -1.08 0.00 0.00 179.45 178.99 1sui h LEU 77 N 0.48 0.97 -1.28 2.94 3.38 -0.42 -2.52 115.31 118.86 1sui h LEU 77 Ca 0.19 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1sui h LEU 77 Cb 0.07 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.57 1sui h LEU 77 CO -0.12 0.79 0.00 2.30 0.09 0.00 0.00 178.44 181.51 1sui n ILE 78 N -4.34 0.22 -3.86 1.22 -5.35 -0.31 -4.95 119.36 101.99 1sui n ILE 78 Ca 0.08 -0.40 -0.24 0.00 -0.27 0.00 0.00 62.75 61.92 1sui n ILE 78 Cb 0.11 0.51 0.00 0.00 -1.74 0.00 0.00 39.64 38.53 1sui n ILE 78 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1sui n ASN 79 N 0.50 -1.07 -4.75 7.28 3.02 -0.48 -4.90 115.26 114.85 1sui n ASN 79 Ca 0.17 -0.91 -0.41 0.00 -0.03 0.00 0.00 54.58 53.39 1sui n ASN 79 Cb 0.38 -3.51 -0.03 0.00 -0.61 0.00 0.00 39.78 36.01 1sui n ASN 79 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sui s ALA 80 N -3.77 3.49 0.00 5.41 0.00 -1.06 -4.91 121.76 120.92 1sui s ALA 80 Ca 0.08 1.13 0.00 0.00 0.00 0.00 0.00 51.96 53.17 1sui s ALA 80 Cb -0.04 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.63 1sui s ALA 80 CO 0.85 -0.50 0.00 1.63 0.00 0.00 0.00 175.76 177.74 1sui n LYS 81 N 1.61 1.34 -3.88 0.00 5.02 -1.26 -4.32 118.16 116.67 1sui n LYS 81 Ca 0.02 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 56.01 1sui n LYS 81 Cb 0.43 -0.87 -0.15 0.00 -0.02 0.00 0.00 35.03 34.41 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 -3.18 4.39 0.40 4.39 2.47 -1.26 -0.49 114.94 121.66 1sui s ASN 82 Ca 0.00 -1.88 0.04 0.00 0.42 0.00 0.00 52.86 51.44 1sui s ASN 82 Cb 0.00 -1.26 0.04 0.00 -1.45 0.00 0.00 41.25 38.58 1sui s ASN 82 CO 0.00 -0.39 0.36 0.35 -3.72 0.00 0.00 177.10 173.70 1sui n THR 83 N 4.54 0.00 -3.74 -5.21 -2.24 0.75 -1.22 114.28 107.16 1sui n THR 83 Ca 0.01 -1.51 -0.12 0.00 -2.27 0.00 0.00 64.05 60.15 1sui n THR 83 Cb 0.42 -0.28 -0.07 0.00 -2.10 0.00 0.00 70.33 68.30 1sui n THR 83 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 1sui s MET 84 N -3.67 0.81 -0.22 -0.78 1.75 -0.65 -1.99 119.30 114.55 1sui s MET 84 Ca 0.27 -0.44 -0.04 0.00 -1.25 0.00 0.00 55.69 54.23 1sui s MET 84 Cb -0.02 0.35 0.11 0.00 2.84 0.00 0.00 34.83 38.11 1sui s MET 84 CO 0.17 -0.26 0.37 -2.00 -0.65 0.00 0.00 175.02 172.66 1sui s GLU 85 N -2.38 0.31 -0.37 4.11 2.12 -0.30 -1.83 118.70 120.36 1sui s GLU 85 Ca -0.06 0.67 -0.15 0.00 0.36 0.00 0.00 54.97 55.79 1sui s GLU 85 Cb -0.01 -0.27 -0.00 0.00 0.26 0.00 0.00 34.13 34.11 1sui s GLU 85 CO -0.02 -0.51 0.34 0.42 -0.54 0.00 0.00 175.26 174.96 1sui s ILE 86 N 2.54 5.19 0.00 -3.70 1.01 -0.71 -0.85 121.20 124.68 1sui s ILE 86 Ca 0.08 -0.19 0.00 0.00 0.00 0.00 0.00 60.65 60.54 1sui s ILE 86 Cb -0.14 -3.86 0.00 0.00 0.01 0.00 0.00 42.46 38.47 1sui s ILE 86 CO -0.14 -0.18 0.00 0.61 0.00 0.00 0.00 174.94 175.23 1sui n GLY 87 N 5.05 0.11 0.08 6.18 0.00 0.97 -0.53 105.19 117.05 1sui n GLY 87 Ca -0.10 -0.72 -0.06 0.00 0.00 0.00 0.00 46.02 45.14 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 1.43 -2.86 1.61 0.31 -1.23 -4.58 118.33 113.01 1sui n VAL 88 Ca 0.00 0.19 -0.01 0.00 -0.01 0.00 0.00 64.34 64.51 1sui n VAL 88 Cb 0.00 -2.36 -0.01 0.00 -0.91 0.00 0.00 33.84 30.56 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 -4.51 -0.86 0.00 3.52 9.36 -1.26 -2.50 117.16 120.91 1sui n TYR 89 Ca -0.10 0.50 0.00 0.00 3.32 0.00 0.00 57.90 61.63 1sui n TYR 89 Cb 0.36 -1.55 0.00 0.00 -0.63 0.00 0.00 39.34 37.52 1sui n TYR 89 CO 0.00 0.00 0.00 2.41 0.22 0.00 0.00 176.86 179.49 1sui n THR 90 N 2.33 0.00 -1.89 2.97 -1.04 -1.02 -4.06 114.28 111.57 1sui n THR 90 Ca -0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 1sui n THR 90 Cb 0.11 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.62 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 0.84 0.06 3.41 0.00 -1.04 -4.04 105.19 104.42 1sui n GLY 91 Ca 0.00 -0.63 -0.13 0.00 0.00 0.00 0.00 46.02 45.26 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 0.01 0.00 1.61 3.20 -1.77 0.47 116.97 120.50 1sui h TYR 92 Ca 0.00 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1sui h TYR 92 Cb 0.82 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.09 1sui h TYR 92 CO 0.00 0.50 0.00 0.66 -1.64 0.00 0.00 178.16 177.68 1sui h SER 93 N -0.48 0.00 -0.03 -2.11 4.64 -1.91 -2.32 113.55 111.34 1sui h SER 93 Ca 0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 1sui h SER 93 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1sui h SER 93 CO 0.00 0.00 -0.27 0.25 -0.87 0.00 0.00 176.83 175.94 1sui h LEU 94 N 0.00 0.29 -0.67 5.97 6.46 -1.86 -1.55 115.31 123.95 1sui h LEU 94 Ca 0.00 -0.70 0.02 0.00 -0.12 0.00 0.00 57.88 57.08 1sui h LEU 94 Cb 0.72 -0.09 -0.04 0.00 -0.73 0.00 0.00 40.66 40.52 1sui h LEU 94 CO 0.00 0.95 0.42 0.25 -0.62 0.00 0.00 178.44 179.44 1sui h LEU 95 N -0.35 0.71 -0.79 2.25 6.46 -0.80 0.21 115.31 123.00 1sui h LEU 95 Ca -0.02 -0.01 -0.04 0.00 -0.12 0.00 0.00 57.88 57.69 1sui h LEU 95 Cb 0.96 -0.16 -0.04 0.00 -0.73 0.00 0.00 40.66 40.69 1sui h LEU 95 CO 0.05 0.50 0.36 0.00 -0.62 0.00 0.00 178.44 178.73 1sui h ALA 96 N 1.27 1.03 -0.24 1.25 0.00 -1.41 0.27 119.26 121.42 1sui h ALA 96 Ca 0.26 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 1sui h ALA 96 Cb -0.02 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1sui h ALA 96 CO -0.09 0.61 -0.16 1.15 0.00 0.00 0.00 179.25 180.77 1sui h THR 97 N 1.13 1.31 -0.39 0.00 2.02 -0.60 -2.42 112.91 113.97 1sui h THR 97 Ca 0.27 -1.27 -0.08 0.00 0.77 0.00 0.00 66.41 66.10 1sui h THR 97 Cb 0.15 1.62 -0.02 0.00 -1.74 0.00 0.00 68.15 68.16 1sui h THR 97 CO -0.03 0.39 -0.10 0.00 0.37 0.00 0.00 175.52 176.15 1sui h ALA 98 N 0.70 1.10 0.00 6.16 0.00 -0.26 -0.94 119.26 126.02 1sui h ALA 98 Ca 0.05 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1sui h ALA 98 Cb 0.68 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1sui h ALA 98 CO 0.04 0.56 0.00 1.28 0.00 0.00 0.00 179.25 181.13 1sui n LEU 99 N -4.18 0.58 -0.12 0.00 4.77 0.90 -4.13 117.00 114.82 1sui n LEU 99 Ca 0.01 0.59 -0.23 0.00 -0.03 0.00 0.00 56.01 56.35 1sui n LEU 99 Cb 0.34 -0.45 -0.11 0.00 -2.33 0.00 0.00 43.42 40.87 1sui n LEU 99 CO 0.42 -0.30 -1.27 0.00 -1.33 0.00 0.00 177.39 174.91 1sui n ALA 100 N -1.72 1.24 -1.46 -1.18 0.00 -0.66 -4.99 120.51 111.74 1sui n ALA 100 Ca 0.04 -1.00 -0.31 0.00 0.00 0.00 0.00 53.44 52.17 1sui n ALA 100 Cb 0.32 -0.11 0.08 0.00 0.00 0.00 0.00 19.45 19.74 1sui n ALA 100 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1sui s ILE 101 N -2.51 3.56 0.99 0.00 -4.36 -0.45 -4.77 121.20 113.67 1sui s ILE 101 Ca -0.35 0.51 -0.11 0.00 -0.26 0.00 0.00 60.65 60.44 1sui s ILE 101 Cb 0.11 -3.17 0.19 0.00 1.25 0.00 0.00 42.46 40.84 1sui s ILE 101 CO 0.57 -0.66 1.11 -2.16 0.24 0.00 0.00 174.94 174.04 1sui s PRO 102 N -5.02 0.42 0.27 0.37 0.04 -1.26 -4.84 135.00 124.98 1sui s PRO 102 Ca 0.60 1.35 -0.00 0.00 0.04 0.00 0.00 61.00 62.98 1sui s PRO 102 Cb -0.15 -1.67 0.53 0.00 0.04 0.00 0.00 34.50 33.24 1sui s PRO 102 CO 0.55 -2.97 1.79 0.93 0.04 0.00 0.00 177.00 177.34 1sui h GLU 103 N -2.11 0.75 -0.52 4.56 3.07 -1.95 0.20 114.58 118.59 1sui h GLU 103 Ca -0.49 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.33 1sui h GLU 103 Cb 1.29 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 29.03 1sui h GLU 103 CO 0.44 0.50 0.00 -0.40 -1.40 0.00 0.00 179.01 178.15 1sui n ASP 104 N -4.76 1.18 -4.81 1.42 5.75 -1.26 -4.89 116.55 109.18 1sui n ASP 104 Ca 0.17 -2.07 -0.32 0.00 -0.01 0.00 0.00 54.79 52.56 1sui n ASP 104 Cb 0.39 -0.30 0.01 0.00 -1.03 0.00 0.00 41.12 40.19 1sui n ASP 104 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1sui s GLY 105 N -0.57 2.04 -0.02 6.12 0.00 0.70 -4.97 107.32 110.62 1sui s GLY 105 Ca 0.08 0.30 0.00 0.00 0.00 0.00 0.00 44.72 45.11 1sui s GLY 105 CO 0.04 0.61 0.02 0.54 0.00 0.00 0.00 173.10 174.31 1sui s LYS 106 N -4.25 0.01 -0.18 2.90 -0.14 0.36 -4.67 119.74 113.77 1sui s LYS 106 Ca 0.62 0.13 0.01 0.00 -1.36 0.00 0.00 55.97 55.37 1sui s LYS 106 Cb -0.15 -0.22 0.03 0.00 -1.68 0.00 0.00 37.83 35.81 1sui s LYS 106 CO 0.39 -0.12 -0.13 0.42 -0.76 0.00 0.00 175.35 175.15 1sui s ILE 107 N 0.81 1.71 -0.61 2.17 1.01 -0.67 -0.18 121.20 125.45 1sui s ILE 107 Ca -0.07 -0.89 -0.25 0.00 0.00 0.00 0.00 60.65 59.44 1sui s ILE 107 Cb -0.10 -1.68 0.04 0.00 0.01 0.00 0.00 42.46 40.74 1sui s ILE 107 CO -0.02 0.32 1.03 -0.22 0.00 0.00 0.00 174.94 176.05 1sui s LEU 108 N 1.40 3.95 -0.18 2.97 2.96 -0.84 -0.96 118.68 127.98 1sui s LEU 108 Ca 0.02 -0.45 -0.17 0.00 -0.22 0.00 0.00 54.13 53.30 1sui s LEU 108 Cb -0.15 -2.74 -0.04 0.00 0.50 0.00 0.00 46.19 43.77 1sui s LEU 108 CO -0.10 -1.39 0.46 0.00 -1.32 0.00 0.00 176.35 174.00 1sui s ALA 109 N 4.35 3.53 -0.09 5.97 0.00 -0.14 -1.15 121.76 134.24 1sui s ALA 109 Ca 0.31 -0.39 0.02 0.00 0.00 0.00 0.00 51.96 51.89 1sui s ALA 109 Cb -0.12 -2.70 0.01 0.00 0.00 0.00 0.00 23.12 20.31 1sui s ALA 109 CO 0.17 -0.27 -0.13 -1.64 0.00 0.00 0.00 175.76 173.89 1sui s MET 110 N 1.25 1.89 0.15 0.00 -1.94 -0.02 -1.01 119.30 119.62 1sui s MET 110 Ca 0.23 -0.45 -0.10 0.00 -1.71 0.00 0.00 55.69 53.65 1sui s MET 110 Cb -0.15 -1.62 -0.00 0.00 2.01 0.00 0.00 34.83 35.07 1sui s MET 110 CO 0.09 -0.04 0.30 0.34 -0.01 0.00 0.00 175.02 175.70 1sui s ASP 111 N 0.91 0.01 0.03 3.03 -1.08 -1.20 -0.02 116.67 118.35 1sui s ASP 111 Ca -0.09 -0.76 0.23 0.00 -0.52 0.00 0.00 52.55 51.41 1sui s ASP 111 Cb -0.15 0.44 0.14 0.00 -1.46 0.00 0.00 42.92 41.89 1sui s ASP 111 CO 0.00 -0.88 1.12 0.00 0.52 0.00 0.00 175.17 175.94 1sui n ILE 112 N -0.20 0.11 -3.80 4.11 0.13 -1.26 -0.78 119.36 117.66 1sui n ILE 112 Ca -0.09 -0.14 -0.30 0.00 -1.10 0.00 0.00 62.75 61.11 1sui n ILE 112 Cb 0.63 0.32 -0.14 0.00 -0.84 0.00 0.00 39.64 39.61 1sui n ILE 112 CO 0.00 0.00 0.00 0.21 2.80 0.00 0.00 176.55 179.56 1sui s ASN 113 N -3.56 4.06 0.51 9.51 3.84 -1.26 -4.40 114.94 123.64 1sui s ASN 113 Ca 0.06 -2.27 0.34 0.00 0.21 0.00 0.00 52.86 51.20 1sui s ASN 113 Cb 0.15 -1.17 1.84 0.00 -0.55 0.00 0.00 41.25 41.53 1sui s ASN 113 CO 0.78 -0.33 2.05 0.07 -2.79 0.00 0.00 177.10 176.88 1sui h LYS 114 N 7.30 0.00 0.01 0.43 2.10 -1.98 -2.81 116.57 121.62 1sui h LYS 114 Ca -0.06 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.59 1sui h LYS 114 Cb 0.97 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.30 1sui h LYS 114 CO 0.51 0.00 -0.01 0.93 -2.00 0.00 0.00 179.45 178.88 1sui h GLU 115 N 0.00 -0.02 -0.50 0.07 5.08 -1.98 -1.91 114.58 115.33 1sui h GLU 115 Ca 0.00 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.39 1sui h GLU 115 Cb 0.03 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 1sui h GLU 115 CO 0.00 0.32 0.29 -0.91 -1.00 0.00 0.00 179.01 177.72 1sui h ASN 116 N -0.36 0.47 -0.89 1.42 -0.26 -1.93 -1.40 115.58 112.63 1sui h ASN 116 Ca -0.00 0.01 -0.01 0.00 -0.56 0.00 0.00 56.30 55.74 1sui h ASN 116 Cb 0.35 -0.09 -0.04 0.00 -1.06 0.00 0.00 38.32 37.47 1sui h ASN 116 CO 0.00 0.33 0.53 0.22 -1.06 0.00 0.00 177.43 177.46 1sui h TYR 117 N 0.59 1.18 0.00 1.19 3.20 -1.60 -1.62 116.97 119.91 1sui h TYR 117 Ca 0.20 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.07 1sui h TYR 117 Cb 0.03 -0.39 0.00 0.00 1.54 0.00 0.00 36.73 37.91 1sui h TYR 117 CO -0.07 0.79 0.00 0.39 -1.64 0.00 0.00 178.16 177.63 1sui n GLU 118 N -4.39 0.08 0.09 1.82 1.02 -0.72 0.12 120.64 118.66 1sui n GLU 118 Ca 0.10 0.24 -0.05 0.00 -0.02 0.00 0.00 57.16 57.42 1sui n GLU 118 Cb 0.06 -1.63 -0.03 0.00 -0.02 0.00 0.00 31.44 29.82 1sui n GLU 118 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1sui h LEU 119 N 0.00 0.00 0.00 -4.62 5.85 -0.30 -3.32 115.31 112.92 1sui h LEU 119 Ca 0.00 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.51 1sui h LEU 119 Cb 0.40 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.39 1sui h LEU 119 CO 0.00 0.87 -2.15 0.61 -0.34 0.00 0.00 178.44 177.43 1sui n GLY 120 N 1.02 -0.93 0.44 3.75 0.00 -0.83 -4.57 105.19 104.08 1sui n GLY 120 Ca -0.00 -0.38 0.34 0.00 0.00 0.00 0.00 46.02 45.98 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 0.29 -2.18 0.99 5.85 -0.42 0.95 115.31 120.79 1sui h LEU 121 Ca -0.31 0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 1sui h LEU 121 Cb 1.68 0.12 -0.00 0.00 0.37 0.00 0.00 40.66 42.83 1sui h LEU 121 CO 0.02 -0.16 -0.06 1.55 -0.34 0.00 0.00 178.44 179.45 1sui h PRO 122 N 0.13 0.00 0.01 5.25 0.13 -1.81 -0.36 132.00 135.35 1sui h PRO 122 Ca 0.79 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.92 1sui h PRO 122 Cb 2.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 33.50 1sui h PRO 122 CO -0.44 0.06 -0.00 0.28 -0.23 0.00 0.00 178.00 177.66 1sui h VAL 123 N 0.00 1.44 -0.53 1.56 2.07 0.63 -2.51 116.25 118.90 1sui h VAL 123 Ca -0.00 -1.35 0.05 0.00 0.82 0.00 0.00 66.70 66.21 1sui h VAL 123 Cb 0.14 2.35 -0.05 0.00 -1.52 0.00 0.00 31.29 32.21 1sui h VAL 123 CO 0.01 0.35 0.27 0.40 0.02 0.00 0.00 177.57 178.61 1sui h ILE 124 N -0.59 0.96 -0.88 4.57 2.04 -1.41 -0.29 117.51 121.90 1sui h ILE 124 Ca -0.00 -0.18 0.07 0.00 1.00 0.00 0.00 64.86 65.75 1sui h ILE 124 Cb 0.58 0.39 -0.06 0.00 -0.74 0.00 0.00 36.82 36.99 1sui h ILE 124 CO 0.00 0.09 0.54 0.11 0.00 0.00 0.00 178.15 178.90 1sui h LYS 125 N 0.52 0.95 -0.14 2.37 1.57 -1.10 -2.34 116.57 118.40 1sui h LYS 125 Ca 0.23 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.93 1sui h LYS 125 Cb 0.14 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.23 1sui h LYS 125 CO -0.16 0.63 0.00 -0.22 -0.57 0.00 0.00 179.45 179.13 1sui h LYS 126 N 0.98 0.24 0.00 3.15 3.64 -0.90 -1.70 116.57 121.98 1sui h LYS 126 Ca 0.39 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 1sui h LYS 126 Cb 0.20 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1sui h LYS 126 CO -0.18 0.47 0.00 0.00 -2.27 0.00 0.00 179.45 177.46 1sui n ALA 127 N -2.30 1.54 -2.44 5.00 0.00 -0.19 -4.81 120.51 117.31 1sui n ALA 127 Ca -0.05 -0.02 -0.17 0.00 0.00 0.00 0.00 53.44 53.19 1sui n ALA 127 Cb 0.21 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.58 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 -0.81 -0.31 0.00 0.00 0.00 -0.64 -4.91 105.19 98.52 1sui n GLY 128 Ca 0.03 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1sui n GLY 128 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1sui n VAL 129 N -4.07 0.83 0.32 1.61 0.24 -1.07 -4.71 118.33 111.47 1sui n VAL 129 Ca -0.17 -0.85 0.15 0.00 -2.04 0.00 0.00 64.34 61.43 1sui n VAL 129 Cb 0.64 0.59 0.65 0.00 -1.47 0.00 0.00 33.84 34.25 1sui n VAL 129 CO 0.00 0.00 0.00 -2.24 -2.14 0.00 0.00 176.83 172.45 1sui h ASP 130 N 0.00 0.00 0.36 -1.34 2.03 -1.86 -2.52 116.42 113.09 1sui h ASP 130 Ca 0.00 0.00 -0.04 0.00 -0.73 0.00 0.00 57.03 56.26 1sui h ASP 130 Cb 0.54 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.03 1sui h ASP 130 CO 0.00 0.00 -0.19 1.12 -1.03 0.00 0.00 179.24 179.14 1sui h HIS 131 N 0.00 0.00 0.00 4.15 2.07 -1.94 -2.35 115.15 117.08 1sui h HIS 131 Ca 0.00 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.49 1sui h HIS 131 Cb 0.36 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.34 1sui h HIS 131 CO 0.00 0.19 -0.15 0.87 -3.07 0.00 0.00 177.93 175.77 1sui h LYS 132 N 0.00 0.00 -6.02 5.12 1.57 -1.72 -3.46 116.57 112.07 1sui h LYS 132 Ca -0.00 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.20 1sui h LYS 132 Cb 0.42 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.68 1sui h LYS 132 CO 0.02 0.15 -0.09 0.42 -0.57 0.00 0.00 179.45 179.39 1sui s ILE 133 N -3.74 4.97 -0.52 1.86 1.01 -0.89 -1.67 121.20 122.22 1sui s ILE 133 Ca 0.00 1.08 0.03 0.00 0.00 0.00 0.00 60.65 61.76 1sui s ILE 133 Cb 0.10 -3.85 0.13 0.00 0.01 0.00 0.00 42.46 38.85 1sui s ILE 133 CO 0.60 0.46 0.27 -0.62 0.00 0.00 0.00 174.94 175.65 1sui s ASP 134 N -0.38 4.51 0.43 3.58 2.15 -0.14 -4.96 116.67 121.87 1sui s ASP 134 Ca 0.28 -2.90 -0.21 0.00 0.43 0.00 0.00 52.55 50.15 1sui s ASP 134 Cb -0.17 -1.67 -0.11 0.00 -0.30 0.00 0.00 42.92 40.66 1sui s ASP 134 CO 0.15 -0.27 0.95 0.12 -0.17 0.00 0.00 175.17 175.95 1sui s PHE 135 N -0.13 3.32 -0.28 -5.34 2.19 -1.26 -0.96 117.98 115.52 1sui s PHE 135 Ca 0.16 1.59 0.01 0.00 0.33 0.00 0.00 56.93 59.03 1sui s PHE 135 Cb -0.24 -2.84 0.16 0.00 -1.31 0.00 0.00 43.02 38.79 1sui s PHE 135 CO -0.01 -0.12 0.42 1.03 1.83 0.00 0.00 175.22 178.37 1sui s ARG 136 N -3.22 0.42 0.38 10.12 0.52 -0.18 -4.92 118.95 122.07 1sui s ARG 136 Ca 0.62 0.28 -0.27 0.00 -0.52 0.00 0.00 55.73 55.84 1sui s ARG 136 Cb -0.09 -0.27 -0.09 0.00 0.52 0.00 0.00 34.95 35.02 1sui s ARG 136 CO 0.14 -0.94 1.27 -2.00 0.02 0.00 0.00 175.30 173.80 1sui s GLU 137 N 2.58 4.13 0.00 3.54 2.12 -1.26 -3.28 118.70 126.54 1sui s GLU 137 Ca 0.11 2.11 0.00 0.00 0.36 0.00 0.00 54.97 57.55 1sui s GLU 137 Cb -0.13 -2.86 0.00 0.00 0.26 0.00 0.00 34.13 31.40 1sui s GLU 137 CO -0.27 -0.34 0.00 0.41 -0.54 0.00 0.00 175.26 174.53 1sui n GLY 138 N 0.73 3.39 3.52 -1.50 0.00 0.04 -4.95 105.19 106.41 1sui n GLY 138 Ca 0.02 -1.83 -0.47 0.00 0.00 0.00 0.00 46.02 43.74 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 -1.05 0.81 0.01 1.61 -0.02 -1.26 -4.44 135.00 130.65 1sui n PRO 139 Ca 0.00 0.28 -0.12 0.00 -2.02 0.00 0.00 63.50 61.64 1sui n PRO 139 Cb 0.00 -1.56 -0.14 0.00 -0.02 0.00 0.00 33.50 31.79 1sui n PRO 139 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sui h ALA 140 N 1.92 0.57 -0.94 3.55 0.00 -1.95 -3.37 119.26 119.05 1sui h ALA 140 Ca -0.37 -1.32 0.24 0.00 0.00 0.00 0.00 54.91 53.46 1sui h ALA 140 Cb 1.38 0.42 -0.13 0.00 0.00 0.00 0.00 17.79 19.46 1sui h ALA 140 CO 0.61 1.42 0.45 1.25 0.00 0.00 0.00 179.25 182.98 1sui h LEU 141 N 0.03 0.41 0.20 0.00 5.85 -1.98 0.40 115.31 120.21 1sui h LEU 141 Ca -0.27 0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 1sui h LEU 141 Cb 1.99 0.12 0.00 0.00 0.37 0.00 0.00 40.66 43.15 1sui h LEU 141 CO 0.10 -0.01 -0.09 -0.65 -0.34 0.00 0.00 178.44 177.45 1sui h PRO 142 N 0.41 -0.25 -0.86 5.25 0.11 -1.98 -1.21 132.00 133.46 1sui h PRO 142 Ca 0.60 0.02 0.23 0.00 0.11 0.00 0.00 66.00 66.96 1sui h PRO 142 Cb 1.19 0.06 -0.05 0.00 0.11 0.00 0.00 31.00 32.31 1sui h PRO 142 CO -0.54 0.15 0.60 0.28 -0.21 0.00 0.00 178.00 178.27 1sui h VAL 143 N -0.85 0.62 -0.04 3.15 2.07 -1.55 0.70 116.25 120.36 1sui h VAL 143 Ca -0.03 -0.06 -0.05 0.00 0.82 0.00 0.00 66.70 67.38 1sui h VAL 143 Cb 0.52 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1sui h VAL 143 CO 0.04 0.03 -0.19 0.25 0.02 0.00 0.00 177.57 177.73 1sui h LEU 144 N 0.18 0.23 -0.44 2.57 5.85 -0.16 -2.42 115.31 121.13 1sui h LEU 144 Ca 0.43 -0.66 0.02 0.00 0.84 0.00 0.00 57.88 58.51 1sui h LEU 144 Cb 1.40 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 42.34 1sui h LEU 144 CO -0.09 0.85 0.26 0.44 -0.34 0.00 0.00 178.44 179.57 1sui h ASP 145 N -0.37 0.43 0.79 1.25 3.32 0.33 -2.14 116.42 120.03 1sui h ASP 145 Ca -0.01 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.00 1sui h ASP 145 Cb 0.85 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.31 1sui h ASP 145 CO 0.04 0.31 -0.44 -0.33 -1.72 0.00 0.00 179.24 177.10 1sui h GLU 146 N 0.53 -1.09 -1.52 3.56 4.39 -1.14 -2.52 114.58 116.79 1sui h GLU 146 Ca 0.17 0.07 0.46 0.00 0.34 0.00 0.00 59.36 60.41 1sui h GLU 146 Cb 0.00 0.25 -0.10 0.00 -0.10 0.00 0.00 28.75 28.80 1sui h GLU 146 CO -0.08 -0.73 1.04 1.98 -1.16 0.00 0.00 179.01 180.07 1sui h MET 147 N -1.14 0.05 0.00 2.33 4.05 -1.32 0.57 114.93 119.48 1sui h MET 147 Ca -0.11 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.31 1sui h MET 147 Cb 0.89 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.68 1sui h MET 147 CO 0.14 0.03 0.00 1.51 0.23 0.00 0.00 176.91 178.83 1sui n ILE 148 N -4.36 0.17 -0.04 1.77 3.06 -0.82 -3.76 119.36 115.37 1sui n ILE 148 Ca 0.38 0.04 -0.12 0.00 -2.50 0.00 0.00 62.75 60.54 1sui n ILE 148 Cb 1.59 -0.60 -0.07 0.00 0.54 0.00 0.00 39.64 41.09 1sui n ILE 148 CO 0.00 0.00 0.00 0.11 -2.50 0.00 0.00 176.55 174.16 1sui h LYS 149 N 0.00 0.24 -5.27 9.51 1.79 0.17 -3.41 116.57 119.60 1sui h LYS 149 Ca 0.00 -0.10 -0.66 0.00 -2.18 0.00 0.00 60.65 57.71 1sui h LYS 149 Cb 0.29 -0.01 -0.16 0.00 -1.58 0.00 0.00 32.23 30.77 1sui h LYS 149 CO 0.00 0.56 0.19 0.34 -1.08 0.00 0.00 179.45 179.45 1sui s ASP 150 N -5.85 6.27 0.00 0.86 2.15 -1.25 -4.92 116.67 113.93 1sui s ASP 150 Ca -0.14 -0.66 0.00 0.00 0.43 0.00 0.00 52.55 52.18 1sui s ASP 150 Cb 0.05 -2.33 0.00 0.00 -0.30 0.00 0.00 42.92 40.34 1sui s ASP 150 CO 0.72 -0.95 0.20 -1.84 -0.17 0.00 0.00 175.17 173.14 1sui n GLU 151 N 6.49 0.00 0.12 4.34 0.28 -1.26 0.60 120.64 131.21 1sui n GLU 151 Ca -0.04 0.00 0.12 0.00 -0.16 0.00 0.00 57.16 57.09 1sui n GLU 151 Cb 0.46 -1.36 0.19 0.00 1.43 0.00 0.00 31.44 32.16 1sui n GLU 151 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 1sui h LYS 152 N 0.00 0.00 -0.01 3.44 1.57 -1.92 -3.14 116.57 116.51 1sui h LYS 152 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1sui h LYS 152 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1sui h LYS 152 CO 0.00 0.00 -0.33 0.09 -0.57 0.00 0.00 179.45 178.64 1sui n ASN 153 N -2.51 1.78 -4.70 0.86 3.02 0.20 -4.78 115.26 109.12 1sui n ASN 153 Ca 0.03 -1.37 -0.42 0.00 -0.03 0.00 0.00 54.58 52.79 1sui n ASN 153 Cb 0.48 0.29 -0.03 0.00 -0.61 0.00 0.00 39.78 39.91 1sui n ASN 153 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1sui s HIS 154 N -2.40 3.57 -1.03 3.10 3.76 -1.19 -3.32 115.29 117.78 1sui s HIS 154 Ca 0.23 1.60 -0.02 0.00 -0.15 0.00 0.00 55.06 56.72 1sui s HIS 154 Cb 0.19 -3.19 0.00 0.00 1.11 0.00 0.00 32.58 30.69 1sui s HIS 154 CO 0.51 -0.29 0.22 0.41 -0.85 0.00 0.00 174.74 174.74 1sui n GLY 155 N 3.01 -0.11 0.14 -2.22 0.00 0.10 -4.94 105.19 101.18 1sui n GLY 155 Ca 0.07 -0.27 0.09 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.72 1.22 -4.80 1.61 3.41 -0.34 -3.87 113.62 110.13 1sui n SER 156 Ca -0.11 -1.11 -0.36 0.00 -0.26 0.00 0.00 58.87 57.03 1sui n SER 156 Cb 0.59 0.84 -0.07 0.00 -0.26 0.00 0.00 64.21 65.31 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 -2.67 3.44 -0.03 7.33 2.02 -0.67 -4.90 117.35 121.87 1sui s TYR 157 Ca 0.10 0.39 0.12 0.00 -0.37 0.00 0.00 57.07 57.32 1sui s TYR 157 Cb 0.15 -1.90 -0.17 0.00 -0.40 0.00 0.00 41.96 39.64 1sui s TYR 157 CO 0.71 0.62 0.95 -0.44 -1.57 0.00 0.00 175.55 175.82 1sui h ASP 158 N 5.15 0.00 -3.16 2.29 3.32 -1.50 -2.15 116.42 120.37 1sui h ASP 158 Ca -0.53 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.50 1sui h ASP 158 Cb 1.21 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 40.54 1sui h ASP 158 CO 0.58 0.85 -0.07 0.12 -1.72 0.00 0.00 179.24 178.99 1sui s PHE 159 N -2.74 -0.90 -0.08 4.55 5.36 -1.25 -2.82 117.98 120.10 1sui s PHE 159 Ca -0.02 1.85 0.02 0.00 -0.96 0.00 0.00 56.93 57.83 1sui s PHE 159 Cb 0.09 0.49 0.01 0.00 -0.34 0.00 0.00 43.02 43.27 1sui s PHE 159 CO 0.81 -0.46 -0.14 0.42 -1.46 0.00 0.00 175.22 174.40 1sui s ILE 160 N 1.44 1.26 -0.19 3.12 1.01 -0.90 -1.64 121.20 125.32 1sui s ILE 160 Ca -0.09 -0.54 0.01 0.00 0.00 0.00 0.00 60.65 60.03 1sui s ILE 160 Cb -0.06 -1.15 0.03 0.00 0.01 0.00 0.00 42.46 41.29 1sui s ILE 160 CO -0.16 0.39 -0.18 0.12 0.00 0.00 0.00 174.94 175.10 1sui s PHE 161 N 0.72 2.82 -0.21 3.97 5.36 -0.76 -0.72 117.98 129.16 1sui s PHE 161 Ca -0.13 -1.73 -0.07 0.00 -0.96 0.00 0.00 56.93 54.04 1sui s PHE 161 Cb -0.16 -1.90 -0.03 0.00 -0.34 0.00 0.00 43.02 40.58 1sui s PHE 161 CO 0.03 -0.81 0.06 0.08 -1.46 0.00 0.00 175.22 173.11 1sui s VAL 162 N 1.27 4.50 -0.43 3.12 1.01 0.82 -1.75 120.40 128.96 1sui s VAL 162 Ca 0.03 -0.12 0.08 0.00 0.00 0.00 0.00 61.98 61.97 1sui s VAL 162 Cb -0.14 -3.06 0.30 0.00 0.00 0.00 0.00 36.38 33.48 1sui s VAL 162 CO -0.12 0.41 0.85 -0.67 0.00 0.00 0.00 175.10 175.57 1sui n ASP 163 N 4.11 -1.04 0.00 3.32 2.03 0.31 -1.30 116.55 123.98 1sui n ASP 163 Ca -0.16 -3.24 0.00 0.00 0.52 0.00 0.00 54.79 51.91 1sui n ASP 163 Cb 0.52 0.68 0.00 0.00 -0.72 0.00 0.00 41.12 41.60 1sui n ASP 163 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1sui n ALA 164 N 0.77 0.00 -0.54 -1.67 0.00 -1.24 -4.41 120.51 113.43 1sui n ALA 164 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1sui n ALA 164 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.09 1sui n ALA 164 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1sui n ASP 165 N 0.00 0.00 0.00 0.00 5.68 -1.26 -4.93 116.55 116.04 1sui n ASP 165 Ca 0.00 0.66 0.00 0.00 -0.50 0.00 0.00 54.79 54.95 1sui n ASP 165 Cb 0.00 -0.19 0.00 0.00 -1.14 0.00 0.00 41.12 39.79 1sui n ASP 165 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 1sui n LYS 166 N -1.78 0.00 0.05 0.11 3.00 -1.26 -4.89 118.16 113.38 1sui n LYS 166 Ca 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 58.31 58.40 1sui n LYS 166 Cb 0.00 0.00 0.37 0.00 0.00 0.00 0.00 35.03 35.40 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 0.24 -0.45 3.14 5.75 -1.26 -2.33 116.55 121.64 1sui n ASP 167 Ca 0.00 0.56 0.04 0.00 -0.01 0.00 0.00 54.79 55.38 1sui n ASP 167 Cb 0.00 -0.61 0.10 0.00 -1.03 0.00 0.00 41.12 39.58 1sui n ASP 167 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1sui n ASN 168 N -1.76 2.44 -0.08 -1.12 3.02 -1.26 -4.70 115.26 111.80 1sui n ASN 168 Ca 0.03 -1.83 -0.08 0.00 -0.03 0.00 0.00 54.58 52.68 1sui n ASN 168 Cb 0.19 -0.13 -0.00 0.00 -0.61 0.00 0.00 39.78 39.23 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 1.60 0.18 -0.91 3.10 -1.99 -1.87 -1.13 116.97 115.95 1sui h TYR 169 Ca 0.00 0.01 0.02 0.00 2.00 0.00 0.00 58.73 60.77 1sui h TYR 169 Cb 0.59 -0.04 -0.05 0.00 2.00 0.00 0.00 36.73 39.23 1sui h TYR 169 CO 0.13 0.08 0.60 1.25 -0.00 0.00 0.00 178.16 180.22 1sui h LEU 170 N 0.23 1.01 0.06 3.88 7.12 -1.84 -2.29 115.31 123.49 1sui h LEU 170 Ca 0.13 -0.02 -0.00 0.00 0.13 0.00 0.00 57.88 58.12 1sui h LEU 170 Cb 0.10 -0.24 0.00 0.00 -0.53 0.00 0.00 40.66 39.98 1sui h LEU 170 CO -0.13 0.72 -0.03 0.78 -0.13 0.00 0.00 178.44 179.65 1sui h ASN 171 N 1.19 -0.06 -0.97 1.25 2.35 -1.70 -2.74 115.58 114.90 1sui h ASN 171 Ca 0.35 -0.22 0.12 0.00 -0.55 0.00 0.00 56.30 56.00 1sui h ASN 171 Cb -0.06 0.02 -0.08 0.00 0.05 0.00 0.00 38.32 38.25 1sui h ASN 171 CO -0.09 0.18 0.61 1.88 -1.65 0.00 0.00 177.43 178.36 1sui h TYR 172 N -0.31 1.06 -0.86 1.19 0.05 -1.05 -1.99 116.97 115.05 1sui h TYR 172 Ca -0.01 0.03 0.06 0.00 0.05 0.00 0.00 58.73 58.86 1sui h TYR 172 Cb 0.28 -0.34 -0.06 0.00 1.01 0.00 0.00 36.73 37.62 1sui h TYR 172 CO 0.01 0.43 0.54 1.25 -1.05 0.00 0.00 178.16 179.33 1sui h HIS 173 N 0.93 1.00 -0.66 4.88 2.76 -1.13 0.24 115.15 123.17 1sui h HIS 173 Ca 0.47 0.03 0.16 0.00 -2.20 0.00 0.00 60.37 58.83 1sui h HIS 173 Cb 0.51 -0.32 -0.04 0.00 1.55 0.00 0.00 27.41 29.11 1sui h HIS 173 CO -0.00 0.52 0.46 0.87 -1.30 0.00 0.00 177.93 178.47 1sui h LYS 174 N 0.99 0.20 0.00 5.26 1.79 -1.09 -2.45 116.57 121.27 1sui h LYS 174 Ca 0.37 -0.01 -0.11 0.00 -2.18 0.00 0.00 60.65 58.72 1sui h LYS 174 Cb 0.15 -0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 30.74 1sui h LYS 174 CO -0.17 0.13 -1.05 0.54 -1.08 0.00 0.00 179.45 177.83 1sui n ARG 175 N -4.42 0.51 -0.48 3.15 5.12 -0.51 -4.47 116.66 115.55 1sui n ARG 175 Ca 0.12 0.44 0.40 0.00 -1.93 0.00 0.00 57.85 56.88 1sui n ARG 175 Cb 0.58 -1.62 0.70 0.00 -1.16 0.00 0.00 32.46 30.96 1sui n ARG 175 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 1sui h LEU 176 N -1.00 0.16 -1.32 0.55 4.07 -0.51 0.22 115.31 117.48 1sui h LEU 176 Ca -0.17 0.07 -0.05 0.00 0.08 0.00 0.00 57.88 57.81 1sui h LEU 176 Cb 0.94 0.06 -0.01 0.00 1.08 0.00 0.00 40.66 42.73 1sui h LEU 176 CO -0.10 -0.08 -0.07 -0.29 -1.08 0.00 0.00 178.44 176.81 1sui h ILE 177 N 0.08 1.19 0.09 1.22 -0.00 -1.66 -1.25 117.51 117.17 1sui h ILE 177 Ca 0.79 -0.79 -0.26 0.00 -0.00 0.00 0.00 64.86 64.60 1sui h ILE 177 Cb 2.74 1.09 0.00 0.00 -0.00 0.00 0.00 36.82 40.65 1sui h ILE 177 CO -0.23 0.26 -1.14 0.44 -0.00 0.00 0.00 178.15 177.47 1sui h ASP 178 N 0.36 0.45 1.28 2.19 3.32 -0.81 -3.30 116.42 119.90 1sui h ASP 178 Ca 0.07 -0.44 -0.04 0.00 0.02 0.00 0.00 57.03 56.64 1sui h ASP 178 Cb 0.36 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 1sui h ASP 178 CO 0.02 1.30 -0.21 -0.07 -1.72 0.00 0.00 179.24 178.56 1sui h LEU 179 N 0.12 0.00 -9.52 1.55 -0.00 -1.28 0.29 115.31 106.48 1sui h LEU 179 Ca -0.12 0.00 -0.54 0.00 -0.00 0.00 0.00 57.88 57.23 1sui h LEU 179 Cb 1.84 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 42.46 1sui h LEU 179 CO 0.19 0.21 0.21 0.68 -0.00 0.00 0.00 178.44 179.73 1sui s VAL 180 N -3.41 4.72 0.67 1.22 -7.23 -0.50 -1.19 120.40 114.68 1sui s VAL 180 Ca 0.03 1.74 -0.16 0.00 -1.81 0.00 0.00 61.98 61.77 1sui s VAL 180 Cb 0.08 -4.17 0.01 0.00 0.56 0.00 0.00 36.38 32.86 1sui s VAL 180 CO 0.65 0.33 1.20 -1.59 -0.31 0.00 0.00 175.10 175.38 1sui s LYS 181 N 0.11 2.51 0.12 4.82 -2.85 -0.81 -4.15 119.74 119.48 1sui s LYS 181 Ca 0.41 1.74 -0.31 0.00 -1.00 0.00 0.00 55.97 56.81 1sui s LYS 181 Cb -0.21 -1.88 -0.10 0.00 -2.06 0.00 0.00 37.83 33.58 1sui s LYS 181 CO 0.24 -1.55 1.70 0.08 0.10 0.00 0.00 175.35 175.93 1sui s VAL 182 N -1.89 2.68 0.00 1.79 1.01 -1.26 0.01 120.40 122.73 1sui s VAL 182 Ca 0.74 0.29 0.00 0.00 0.00 0.00 0.00 61.98 63.01 1sui s VAL 182 Cb -0.29 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 32.91 1sui s VAL 182 CO 0.41 0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.12 1sui n GLY 183 N 4.02 2.66 3.79 4.51 0.00 0.11 -4.97 105.19 115.31 1sui n GLY 183 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 1sui n GLY 183 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sui s GLY 184 N -2.72 1.67 -0.04 -0.02 0.00 0.10 -4.64 107.32 101.67 1sui s GLY 184 Ca 0.00 0.17 0.06 0.00 0.00 0.00 0.00 44.72 44.95 1sui s GLY 184 CO 0.00 0.51 -0.23 0.54 0.00 0.00 0.00 173.10 173.91 1sui s VAL 185 N -2.97 2.25 -0.10 1.40 0.11 -1.13 -1.51 120.40 118.46 1sui s VAL 185 Ca 0.60 -1.02 0.00 0.00 -2.93 0.00 0.00 61.98 58.63 1sui s VAL 185 Cb -0.16 -1.82 -0.03 0.00 -1.53 0.00 0.00 36.38 32.85 1sui s VAL 185 CO 0.56 0.58 -0.08 -0.63 -3.33 0.00 0.00 175.10 172.19 1sui s ILE 186 N -0.42 3.52 -0.11 7.04 1.01 0.20 -2.11 121.20 130.33 1sui s ILE 186 Ca 0.04 -0.52 0.02 0.00 0.00 0.00 0.00 60.65 60.19 1sui s ILE 186 Cb -0.12 -2.46 0.01 0.00 0.01 0.00 0.00 42.46 39.90 1sui s ILE 186 CO 0.01 0.56 -0.18 -0.83 0.00 0.00 0.00 174.94 174.51 1sui s GLY 187 N -0.31 1.14 -0.20 6.18 0.00 0.10 -0.42 107.32 113.82 1sui s GLY 187 Ca 0.04 -0.84 -0.09 0.00 0.00 0.00 0.00 44.72 43.83 1sui s GLY 187 CO 0.02 0.11 0.10 -0.19 0.00 0.00 0.00 173.10 173.15 1sui s TYR 188 N 0.88 3.32 0.22 1.90 1.51 -0.91 -0.13 117.35 124.14 1sui s TYR 188 Ca -0.08 0.18 -0.05 0.00 -1.01 0.00 0.00 57.07 56.11 1sui s TYR 188 Cb -0.15 -2.13 -0.06 0.00 -0.11 0.00 0.00 41.96 39.51 1sui s TYR 188 CO -0.01 0.19 0.47 0.34 -1.11 0.00 0.00 175.55 175.44 1sui s ASP 189 N 0.46 6.48 -0.92 2.29 2.15 -0.42 -1.30 116.67 125.41 1sui s ASP 189 Ca 0.06 0.66 -0.06 0.00 0.43 0.00 0.00 52.55 53.64 1sui s ASP 189 Cb -0.12 -2.12 0.01 0.00 -0.30 0.00 0.00 42.92 40.39 1sui s ASP 189 CO -0.00 -0.07 0.80 0.59 -0.17 0.00 0.00 175.17 176.32 1sui n ASN 190 N -0.44 -4.96 -0.46 -0.34 4.13 0.85 -4.90 115.26 109.14 1sui n ASN 190 Ca -0.02 -0.37 0.10 0.00 1.68 0.00 0.00 54.58 55.97 1sui n ASN 190 Cb 0.53 -3.57 0.38 0.00 -1.54 0.00 0.00 39.78 35.58 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 -4.20 0.19 0.45 3.41 -2.24 -0.22 -2.93 114.28 108.75 1sui n THR 191 Ca 0.01 -0.29 0.05 0.00 -2.27 0.00 0.00 64.05 61.54 1sui n THR 191 Cb 0.54 0.24 -0.00 0.00 -2.10 0.00 0.00 70.33 69.02 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 0.14 1.23 -3.72 3.22 4.77 -1.10 -4.95 117.00 116.58 1sui n LEU 192 Ca 0.15 -0.77 -0.27 0.00 -0.03 0.00 0.00 56.01 55.10 1sui n LEU 192 Cb 0.28 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.30 1sui n LEU 192 CO 0.12 0.25 -0.22 1.87 -1.33 0.00 0.00 177.39 178.08 1sui n TRP 193 N -0.24 -0.85 0.00 -1.77 -0.00 -1.15 -3.11 117.44 110.32 1sui n TRP 193 Ca 0.04 0.46 0.00 0.00 -0.00 0.00 0.00 57.50 58.01 1sui n TRP 193 Cb 0.21 -1.62 0.00 0.00 -0.00 0.00 0.00 31.31 29.91 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 -1.71 0.00 -3.70 5.87 2.85 -1.26 -4.46 115.26 112.85 1sui n ASN 194 Ca -0.06 0.00 -0.18 0.00 -0.11 0.00 0.00 54.58 54.23 1sui n ASN 194 Cb 0.40 0.00 -0.17 0.00 1.24 0.00 0.00 39.78 41.25 1sui n ASN 194 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 1sui s GLY 195 N 0.00 0.17 0.00 8.20 0.00 -1.18 -4.96 107.32 109.55 1sui s GLY 195 Ca 0.00 0.26 0.09 0.00 0.00 0.00 0.00 44.72 45.06 1sui s GLY 195 CO 0.00 1.23 1.05 -1.14 0.00 0.00 0.00 173.10 174.24 1sui n SER 196 N 5.00 0.33 -1.42 1.64 3.41 -1.26 -4.68 113.62 116.64 1sui n SER 196 Ca -0.10 -1.98 0.03 0.00 -0.26 0.00 0.00 58.87 56.57 1sui n SER 196 Cb 0.50 -0.22 0.02 0.00 -0.26 0.00 0.00 64.21 64.24 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 0.17 0.00 -2.76 -3.33 0.24 -1.26 -5.07 118.33 106.31 1sui n VAL 197 Ca 0.02 -0.91 -0.40 0.00 -2.04 0.00 0.00 64.34 61.01 1sui n VAL 197 Cb 0.85 0.95 -0.06 0.00 -1.47 0.00 0.00 33.84 34.11 1sui n VAL 197 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1sui s VAL 198 N 0.00 4.14 0.12 3.34 0.11 -1.26 -4.97 120.40 121.88 1sui s VAL 198 Ca 0.31 2.06 -0.35 0.00 -2.93 0.00 0.00 61.98 61.07 1sui s VAL 198 Cb 0.35 -4.32 -0.16 0.00 -1.53 0.00 0.00 36.38 30.73 1sui s VAL 198 CO -0.15 0.48 1.36 0.00 -3.33 0.00 0.00 175.10 173.46 1sui n ALA 199 N 1.64 -0.41 -0.15 1.54 0.00 -1.26 -4.86 120.51 117.02 1sui n ALA 199 Ca -0.02 0.49 -0.05 0.00 0.00 0.00 0.00 53.44 53.86 1sui n ALA 199 Cb 0.47 -2.13 0.04 0.00 0.00 0.00 0.00 19.45 17.83 1sui n ALA 199 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1sui h PRO 200 N 4.63 0.44 -0.87 0.00 0.11 -2.03 -1.71 132.00 132.57 1sui h PRO 200 Ca -0.46 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 65.66 1sui h PRO 200 Cb 1.32 -0.10 -0.05 0.00 0.11 0.00 0.00 31.00 32.28 1sui h PRO 200 CO 0.79 0.29 0.57 -1.00 -0.21 0.00 0.00 178.00 178.43 1sui h PRO 201 N 0.45 1.03 -5.16 1.05 0.13 -2.04 -3.39 132.00 124.07 1sui h PRO 201 Ca 0.20 -0.06 -0.24 0.00 -0.87 0.00 0.00 66.00 65.03 1sui h PRO 201 Cb 0.11 -0.23 -0.06 0.00 0.13 0.00 0.00 31.00 30.94 1sui h PRO 201 CO -0.14 0.68 1.22 -3.47 -0.23 0.00 0.00 178.00 176.06 1sui n ASP 202 N -4.45 0.12 -0.04 1.44 2.03 -0.65 -4.70 116.55 110.30 1sui n ASP 202 Ca 0.12 -0.85 0.03 0.00 0.52 0.00 0.00 54.79 54.60 1sui n ASP 202 Cb 0.13 -1.05 0.39 0.00 -0.72 0.00 0.00 41.12 39.86 1sui n ASP 202 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1sui h ALA 203 N 12.22 1.65 -0.13 -1.67 0.00 -1.84 -3.40 119.26 126.09 1sui h ALA 203 Ca 0.00 -0.04 -0.21 0.00 0.00 0.00 0.00 54.91 54.66 1sui h ALA 203 Cb 1.10 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.63 1sui h ALA 203 CO 1.35 0.32 1.22 -2.30 0.00 0.00 0.00 179.25 179.84 1sui n PRO 204 N -4.46 0.21 -3.15 0.00 -0.02 -1.26 -4.66 135.00 121.66 1sui n PRO 204 Ca 0.04 -0.35 0.05 0.00 -2.02 0.00 0.00 63.50 61.22 1sui n PRO 204 Cb 0.06 -2.06 -0.00 0.00 -0.02 0.00 0.00 33.50 31.48 1sui n PRO 204 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1sui s LEU 205 N 5.85 -0.71 0.34 2.45 1.43 -1.26 -5.08 118.68 121.70 1sui s LEU 205 Ca 1.14 0.17 -0.27 0.00 -1.03 0.00 0.00 54.13 54.14 1sui s LEU 205 Cb -0.55 1.49 -0.13 0.00 0.03 0.00 0.00 46.19 47.03 1sui s LEU 205 CO 0.37 -0.13 1.07 0.54 0.23 0.00 0.00 176.35 178.43 1sui n ARG 206 N 5.26 1.53 -0.40 1.70 1.74 -1.26 -4.67 116.66 120.56 1sui n ARG 206 Ca 0.05 0.54 0.39 0.00 -0.77 0.00 0.00 57.85 58.06 1sui n ARG 206 Cb 0.56 -2.02 0.77 0.00 -1.02 0.00 0.00 32.46 30.75 1sui n ARG 206 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1sui h LYS 207 N 1.97 0.00 -0.37 5.56 1.79 -1.99 -0.87 116.57 122.67 1sui h LYS 207 Ca -0.43 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 57.97 1sui h LYS 207 Cb 1.33 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.96 1sui h LYS 207 CO 0.60 0.00 -0.06 -0.92 -1.08 0.00 0.00 179.45 177.98 1sui h TYR 208 N 0.00 0.77 0.01 -1.35 5.03 -2.00 -0.69 116.97 118.74 1sui h TYR 208 Ca 0.64 -0.16 -0.23 0.00 2.58 0.00 0.00 58.73 61.57 1sui h TYR 208 Cb 2.58 -0.19 0.00 0.00 1.55 0.00 0.00 36.73 40.67 1sui h TYR 208 CO 0.00 0.83 -0.95 -0.39 -1.32 0.00 0.00 178.16 176.33 1sui h VAL 209 N 0.49 1.41 -0.60 1.81 -1.51 -1.50 -2.97 116.25 113.37 1sui h VAL 209 Ca 0.10 -2.49 -0.08 0.00 -1.23 0.00 0.00 66.70 63.00 1sui h VAL 209 Cb 0.56 2.45 -0.02 0.00 -2.13 0.00 0.00 31.29 32.14 1sui h VAL 209 CO 0.03 0.74 0.07 -0.09 -1.23 0.00 0.00 177.57 177.09 1sui h ARG 210 N 0.21 0.99 -0.73 5.19 2.43 -1.42 0.03 114.38 121.09 1sui h ARG 210 Ca -0.08 -0.27 -0.01 0.00 -0.81 0.00 0.00 59.98 58.82 1sui h ARG 210 Cb 1.59 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 30.99 1sui h ARG 210 CO 0.16 0.93 0.42 -0.92 -1.51 0.00 0.00 179.97 179.05 1sui h TYR 211 N 0.93 0.98 0.00 2.20 3.20 -1.09 -2.91 116.97 120.28 1sui h TYR 211 Ca 0.18 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.02 1sui h TYR 211 Cb 0.44 -0.32 -0.00 0.00 1.54 0.00 0.00 36.73 38.39 1sui h TYR 211 CO 0.03 0.68 -0.77 1.88 -1.64 0.00 0.00 178.16 178.34 1sui h TYR 212 N 1.00 0.00 -0.94 -3.82 0.05 -1.36 -3.35 116.97 108.54 1sui h TYR 212 Ca 0.26 0.00 0.08 0.00 0.05 0.00 0.00 58.73 59.12 1sui h TYR 212 Cb 0.01 0.00 -0.07 0.00 1.01 0.00 0.00 36.73 37.68 1sui h TYR 212 CO -0.01 0.05 0.59 -0.09 -1.05 0.00 0.00 178.16 177.66 1sui h ARG 213 N 0.00 0.99 -1.00 4.88 2.43 -0.78 -2.37 114.38 118.53 1sui h ARG 213 Ca -0.01 -0.06 0.07 0.00 -0.81 0.00 0.00 59.98 59.17 1sui h ARG 213 Cb 1.05 -0.22 -0.07 0.00 -0.42 0.00 0.00 29.97 30.31 1sui h ARG 213 CO 0.01 0.65 0.65 -0.44 -1.51 0.00 0.00 179.97 179.33 1sui h ASP 214 N 1.02 1.03 -0.33 -3.80 5.19 -1.70 -0.66 116.42 117.18 1sui h ASP 214 Ca 0.43 0.01 -0.10 0.00 -0.62 0.00 0.00 57.03 56.75 1sui h ASP 214 Cb 0.28 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.57 1sui h ASP 214 CO -0.21 0.65 -0.20 -0.26 -3.12 0.00 0.00 179.24 176.11 1sui h PHE 215 N 1.17 0.83 -0.66 4.55 0.04 -1.66 -2.49 116.94 118.71 1sui h PHE 215 Ca 0.43 -0.22 0.01 0.00 2.80 0.00 0.00 57.97 60.99 1sui h PHE 215 Cb 0.18 -0.19 -0.03 0.00 2.20 0.00 0.00 35.95 38.11 1sui h PHE 215 CO -0.00 0.94 0.44 0.28 -0.60 0.00 0.00 178.31 179.36 1sui h VAL 216 N 0.48 1.17 -0.61 -0.55 2.07 -1.11 0.35 116.25 118.05 1sui h VAL 216 Ca 0.07 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 1sui h VAL 216 Cb 0.74 0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 1sui h VAL 216 CO 0.06 0.16 0.37 -0.07 0.02 0.00 0.00 177.57 178.11 1sui h LEU 217 N 0.89 0.73 -0.37 2.57 3.38 -1.10 -1.31 115.31 120.11 1sui h LEU 217 Ca 0.24 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 58.10 1sui h LEU 217 Cb -0.10 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 1sui h LEU 217 CO -0.05 0.57 0.00 -0.08 0.09 0.00 0.00 178.44 178.97 1sui h GLU 218 N 0.83 0.64 -0.44 1.13 4.81 -0.89 -2.14 114.58 118.53 1sui h GLU 218 Ca 0.22 -0.20 0.06 0.00 -0.13 0.00 0.00 59.36 59.31 1sui h GLU 218 Cb -0.03 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.24 1sui h GLU 218 CO -0.04 0.75 0.12 1.25 -0.73 0.00 0.00 179.01 180.36 1sui h LEU 219 N 0.46 0.09 0.29 1.64 7.12 -0.04 -1.11 115.31 123.76 1sui h LEU 219 Ca 0.10 0.06 -0.01 0.00 0.13 0.00 0.00 57.88 58.17 1sui h LEU 219 Cb 0.46 0.07 -0.01 0.00 -0.53 0.00 0.00 40.66 40.65 1sui h LEU 219 CO 0.02 0.08 -0.21 0.78 -0.13 0.00 0.00 178.44 178.98 1sui h ASN 220 N 0.27 -0.55 -0.05 1.25 2.35 -1.08 -0.42 115.58 117.35 1sui h ASN 220 Ca 0.21 0.04 0.04 0.00 -0.55 0.00 0.00 56.30 56.04 1sui h ASN 220 Cb 0.23 0.18 -0.05 0.00 0.05 0.00 0.00 38.32 38.73 1sui h ASN 220 CO -0.24 -0.33 -0.25 0.11 -1.65 0.00 0.00 177.43 175.07 1sui h LYS 221 N -0.51 -0.35 -0.34 0.81 1.57 -1.14 0.12 116.57 116.74 1sui h LYS 221 Ca -0.02 0.02 0.07 0.00 -1.87 0.00 0.00 60.65 58.85 1sui h LYS 221 Cb 0.44 0.08 -0.08 0.00 0.08 0.00 0.00 32.23 32.75 1sui h LYS 221 CO -0.00 -0.23 -0.30 0.00 -0.57 0.00 0.00 179.45 178.35 1sui h ALA 222 N 0.51 -0.17 -0.78 3.86 0.00 -1.05 -1.87 119.26 119.76 1sui h ALA 222 Ca 0.08 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1sui h ALA 222 Cb 0.47 0.64 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 1sui h ALA 222 CO -0.26 -0.71 0.41 -0.07 0.00 0.00 0.00 179.25 178.62 1sui h LEU 223 N -0.26 0.99 -2.13 0.00 4.07 -0.68 -2.01 115.31 115.30 1sui h LEU 223 Ca 0.16 -0.11 -0.01 0.00 0.08 0.00 0.00 57.88 58.00 1sui h LEU 223 Cb 0.52 -0.25 -0.00 0.00 1.08 0.00 0.00 40.66 42.01 1sui h LEU 223 CO -0.48 0.81 -0.05 0.00 -1.08 0.00 0.00 178.44 177.64 1sui h ALA 224 N 1.21 1.63 0.00 1.53 0.00 -0.00 -2.56 119.26 121.07 1sui h ALA 224 Ca 0.27 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1sui h ALA 224 Cb 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1sui h ALA 224 CO -0.04 0.06 -0.98 0.28 0.00 0.00 0.00 179.25 178.57 1sui n VAL 225 N -4.06 0.00 -1.66 0.00 0.31 -0.82 -4.97 118.33 107.13 1sui n VAL 225 Ca -0.03 -0.01 -0.43 0.00 -0.01 0.00 0.00 64.34 63.86 1sui n VAL 225 Cb 0.14 0.92 -0.03 0.00 -0.91 0.00 0.00 33.84 33.96 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 -1.52 4.03 0.22 4.52 -0.08 -0.79 -4.88 116.55 118.06 1sui n ASP 226 Ca 0.04 0.89 0.06 0.00 -1.51 0.00 0.00 54.79 54.26 1sui n ASP 226 Cb 0.34 -1.50 0.52 0.00 2.34 0.00 0.00 41.12 42.81 1sui n ASP 226 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1sui h PRO 227 N 10.57 0.02 -0.00 -0.67 0.11 -1.92 -3.16 132.00 136.96 1sui h PRO 227 Ca -0.49 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1sui h PRO 227 Cb 1.25 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1sui h PRO 227 CO 0.94 0.16 -0.05 0.54 -0.21 0.00 0.00 178.00 179.38 1sui n ARG 228 N -4.36 0.63 -4.07 1.05 1.74 -1.26 -4.84 116.66 105.54 1sui n ARG 228 Ca -0.02 -0.12 -0.21 0.00 -0.77 0.00 0.00 57.85 56.73 1sui n ARG 228 Cb 0.22 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 30.09 1sui n ARG 228 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 1sui n ILE 229 N -1.08 0.00 -0.01 0.55 -5.35 -1.19 0.68 119.36 112.96 1sui n ILE 229 Ca 0.15 -2.12 -0.04 0.00 -0.27 0.00 0.00 62.75 60.47 1sui n ILE 229 Cb 0.25 0.87 -0.01 0.00 -1.74 0.00 0.00 39.64 39.00 1sui n ILE 229 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1sui n GLU 230 N -0.72 0.21 -0.64 6.28 -0.58 -0.69 -4.82 120.64 119.68 1sui n GLU 230 Ca -0.01 0.08 0.00 0.00 -0.42 0.00 0.00 57.16 56.82 1sui n GLU 230 Cb 0.54 -0.85 0.00 0.00 -0.57 0.00 0.00 31.44 30.56 1sui n GLU 230 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 1sui n ILE 231 N -3.78 -2.68 -3.51 -3.67 -5.35 -1.23 -4.93 119.36 94.20 1sui n ILE 231 Ca -0.06 0.94 -0.12 0.00 -0.27 0.00 0.00 62.75 63.24 1sui n ILE 231 Cb 0.21 -1.53 -0.10 0.00 -1.74 0.00 0.00 39.64 36.48 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 2.49 3.81 -0.16 0.00 -1.94 -1.26 -1.52 119.30 120.72 1sui s MET 233 Ca 0.06 0.39 -0.06 0.00 -1.71 0.00 0.00 55.69 54.37 1sui s MET 233 Cb -0.14 -3.79 -0.04 0.00 2.01 0.00 0.00 34.83 32.88 1sui s MET 233 CO -0.13 -0.81 0.02 -0.51 -0.01 0.00 0.00 175.02 173.59 1sui s LEU 234 N 3.07 3.61 -0.52 -0.03 1.43 0.82 -4.96 118.68 122.11 1sui s LEU 234 Ca 0.32 0.03 -0.07 0.00 -1.03 0.00 0.00 54.13 53.38 1sui s LEU 234 Cb -0.13 -1.89 -0.19 0.00 0.03 0.00 0.00 46.19 44.01 1sui s LEU 234 CO 0.16 0.20 3.18 -0.81 0.23 0.00 0.00 176.35 179.30 1sui n PRO 235 N 3.35 2.37 -4.06 1.29 -0.04 -1.26 -1.38 135.00 135.28 1sui n PRO 235 Ca -0.17 -1.31 -0.35 0.00 -0.04 0.00 0.00 63.50 61.62 1sui n PRO 235 Cb 0.52 -2.23 -0.08 0.00 -0.04 0.00 0.00 33.50 31.67 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 1.59 4.90 0.00 0.52 1.01 -1.26 -4.80 120.40 122.36 1sui s VAL 236 Ca 0.62 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.59 1sui s VAL 236 Cb 0.25 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.48 1sui s VAL 236 CO -0.02 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.24 1sui n GLY 237 N 2.67 3.82 2.00 4.51 0.00 -1.26 -0.34 105.19 116.59 1sui n GLY 237 Ca -0.18 -0.03 -0.14 0.00 0.00 0.00 0.00 46.02 45.67 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 6.12 4.10 -0.09 1.61 2.03 -1.26 -4.38 116.55 124.67 1sui n ASP 238 Ca 0.00 -3.45 0.00 0.00 0.52 0.00 0.00 54.79 51.86 1sui n ASP 238 Cb 0.00 -0.77 0.00 0.00 -0.72 0.00 0.00 41.12 39.63 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 -0.71 0.52 3.10 0.27 0.00 0.54 -2.73 105.19 106.17 1sui n GLY 239 Ca 0.49 -1.08 -0.28 0.00 0.00 0.00 0.00 46.02 45.15 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 0.00 1.51 -0.42 -0.61 1.01 -0.48 -0.11 121.20 122.10 1sui s ILE 240 Ca 0.00 -0.69 -0.10 0.00 0.00 0.00 0.00 60.65 59.85 1sui s ILE 240 Cb 0.00 -1.34 0.07 0.00 0.01 0.00 0.00 42.46 41.20 1sui s ILE 240 CO 0.00 0.44 0.27 -0.89 0.00 0.00 0.00 174.94 174.75 1sui s THR 241 N 0.57 4.42 0.03 2.92 2.01 -0.42 -0.13 115.64 125.04 1sui s THR 241 Ca -0.16 -1.26 -0.29 0.00 0.31 0.00 0.00 61.69 60.30 1sui s THR 241 Cb -0.17 -3.65 -0.04 0.00 0.01 0.00 0.00 72.50 68.65 1sui s THR 241 CO 0.05 -0.47 0.93 -0.63 -0.69 0.00 0.00 174.62 173.82 1sui s ILE 242 N 1.48 4.76 -0.09 1.82 -1.09 -0.57 -2.15 121.20 125.35 1sui s ILE 242 Ca 0.03 1.97 0.03 0.00 -2.23 0.00 0.00 60.65 60.46 1sui s ILE 242 Cb -0.22 -4.28 0.01 0.00 -1.58 0.00 0.00 42.46 36.38 1sui s ILE 242 CO 0.04 0.23 -0.20 0.00 -1.23 0.00 0.00 174.94 173.78 1sui s ARG 244 N 0.50 3.67 -0.10 0.00 3.52 -1.26 -0.63 118.95 124.64 1sui s ARG 244 Ca -0.16 -0.50 -0.30 0.00 -0.13 0.00 0.00 55.73 54.64 1sui s ARG 244 Cb -0.17 -3.04 -0.02 0.00 -1.56 0.00 0.00 34.95 30.15 1sui s ARG 244 CO 0.06 0.11 1.15 0.50 -0.81 0.00 0.00 175.30 176.31 1sui s ARG 245 N 0.75 4.34 -0.17 5.12 3.52 -0.57 -1.71 118.95 130.23 1sui s ARG 245 Ca -0.00 1.58 0.18 0.00 -0.13 0.00 0.00 55.73 57.35 1sui s ARG 245 Cb -0.14 -3.60 -0.25 0.00 -1.56 0.00 0.00 34.95 29.40 1sui s ARG 245 CO 0.02 -0.48 0.16 0.44 -0.81 0.00 0.00 175.30 174.64 1sui n ILE 246 N 4.80 1.33 -1.77 4.11 -5.35 0.22 0.09 119.36 122.78 1sui n ILE 246 Ca 0.11 -0.83 0.00 0.00 -0.27 0.00 0.00 62.75 61.76 1sui n ILE 246 Cb 0.47 -0.49 0.00 0.00 -1.74 0.00 0.00 39.64 37.87 1sui n ILE 246 CO 0.00 0.00 0.00 2.29 -1.76 0.00 0.00 176.55 177.08