#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sui s SER 22 N 0.00 0.67 0.00 4.39 1.04 -1.26 -5.05 113.70 113.49 1sui s SER 22 Ca 0.00 -1.41 0.17 0.00 0.48 0.00 0.00 55.95 55.19 1sui s SER 22 Cb 0.00 0.75 0.54 0.00 0.10 0.00 0.00 66.02 67.41 1sui s SER 22 CO 0.00 -1.47 1.42 0.18 0.98 0.00 0.00 173.24 174.35 1sui n LEU 23 N -0.57 1.96 0.00 2.42 4.77 -1.26 -4.92 117.00 119.40 1sui n LEU 23 Ca -0.02 -0.90 -0.23 0.00 -0.03 0.00 0.00 56.01 54.83 1sui n LEU 23 Cb 0.61 -0.19 0.11 0.00 -2.33 0.00 0.00 43.42 41.63 1sui n LEU 23 CO 0.29 0.45 0.54 0.18 -1.33 0.00 0.00 177.39 177.52 1sui n LEU 24 N 0.54 0.00 0.15 2.23 4.77 -1.26 -5.02 117.00 118.41 1sui n LEU 24 Ca 0.15 -2.16 0.01 0.00 -0.03 0.00 0.00 56.01 53.98 1sui n LEU 24 Cb 0.35 -0.63 0.20 0.00 -2.33 0.00 0.00 43.42 41.01 1sui n LEU 24 CO 0.11 -0.96 0.53 0.06 -1.33 0.00 0.00 177.39 175.81 1sui h GLN 25 N 0.00 0.00 -3.45 3.23 3.07 -2.01 -3.46 115.11 112.49 1sui h GLN 25 Ca -0.33 0.00 -0.12 0.00 0.09 0.00 0.00 58.65 58.30 1sui h GLN 25 Cb 1.23 0.00 -0.19 0.00 0.08 0.00 0.00 27.48 28.60 1sui h GLN 25 CO 0.36 0.56 -0.39 -1.54 0.09 0.00 0.00 178.83 177.91 1sui s SER 26 N -6.70 -0.01 0.29 0.06 1.04 -1.26 -5.02 113.70 102.10 1sui s SER 26 Ca -0.01 -0.24 0.25 0.00 0.48 0.00 0.00 55.95 56.43 1sui s SER 26 Cb 0.12 0.28 0.96 0.00 0.10 0.00 0.00 66.02 67.48 1sui s SER 26 CO 0.74 -0.50 1.75 0.44 0.98 0.00 0.00 173.24 176.66 1sui h ASP 27 N 3.71 0.00 0.71 7.02 3.32 -1.98 -2.95 116.42 126.26 1sui h ASP 27 Ca -0.31 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.49 1sui h ASP 27 Cb 1.19 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.70 1sui h ASP 27 CO 0.45 0.00 -1.41 0.00 -1.72 0.00 0.00 179.24 176.56 1sui h ALA 28 N 2.29 0.64 -0.16 3.45 0.00 -1.98 -2.65 119.26 120.85 1sui h ALA 28 Ca 0.00 -1.18 -0.06 0.00 0.00 0.00 0.00 54.91 53.67 1sui h ALA 28 Cb 0.49 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 1sui h ALA 28 CO 0.00 1.36 -0.15 1.25 0.00 0.00 0.00 179.25 181.71 1sui h LEU 29 N 0.00 0.40 -0.11 0.00 6.46 -1.93 -1.22 115.31 118.91 1sui h LEU 29 Ca -0.18 -0.47 0.01 0.00 -0.12 0.00 0.00 57.88 57.12 1sui h LEU 29 Cb 1.86 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 41.66 1sui h LEU 29 CO 0.09 0.79 0.03 0.22 -0.62 0.00 0.00 178.44 178.95 1sui h TYR 30 N 0.02 0.05 -0.94 1.25 3.20 -1.65 -2.02 116.97 116.89 1sui h TYR 30 Ca 0.03 0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.00 1sui h TYR 30 Cb 0.68 -0.01 -0.08 0.00 1.54 0.00 0.00 36.73 38.86 1sui h TYR 30 CO 0.08 0.02 0.58 1.96 -1.64 0.00 0.00 178.16 179.16 1sui h GLN 31 N 0.08 0.92 -0.94 1.82 1.08 -1.40 -0.94 115.11 115.74 1sui h GLN 31 Ca 0.05 -0.06 0.11 0.00 -1.45 0.00 0.00 58.65 57.31 1sui h GLN 31 Cb 0.04 -0.21 -0.08 0.00 -0.05 0.00 0.00 27.48 27.18 1sui h GLN 31 CO -0.06 0.61 0.57 -0.92 -0.95 0.00 0.00 178.83 178.08 1sui h TYR 32 N 0.95 1.03 -0.55 2.96 3.20 -0.49 0.36 116.97 124.43 1sui h TYR 32 Ca 0.45 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 62.28 1sui h TYR 32 Cb 0.38 -0.32 -0.02 0.00 1.54 0.00 0.00 36.73 38.31 1sui h TYR 32 CO -0.02 0.40 0.07 0.82 -1.64 0.00 0.00 178.16 177.79 1sui h ILE 33 N 0.91 1.26 0.15 1.81 2.04 -0.84 -1.66 117.51 121.17 1sui h ILE 33 Ca 0.46 -0.99 -0.01 0.00 1.00 0.00 0.00 64.86 65.32 1sui h ILE 33 Cb 0.45 0.83 0.00 0.00 -0.74 0.00 0.00 36.82 37.36 1sui h ILE 33 CO -0.27 0.36 -0.07 -0.07 0.00 0.00 0.00 178.15 178.10 1sui h LEU 34 N 0.81 -0.17 -1.72 1.44 3.38 -0.76 -0.50 115.31 117.80 1sui h LEU 34 Ca 0.17 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 1sui h LEU 34 Cb 0.43 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1sui h LEU 34 CO 0.01 0.20 -0.18 -0.33 0.09 0.00 0.00 178.44 178.24 1sui h GLU 35 N -0.56 0.00 0.00 1.13 4.39 -0.34 0.72 114.58 119.92 1sui h GLU 35 Ca -0.02 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.35 1sui h GLU 35 Cb 0.43 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.02 1sui h GLU 35 CO 0.03 0.18 -2.24 0.25 -1.16 0.00 0.00 179.01 176.07 1sui n THR 36 N -3.89 1.24 -0.03 1.13 -2.24 -0.63 -4.60 114.28 105.26 1sui n THR 36 Ca -0.02 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 61.22 1sui n THR 36 Cb 0.27 -1.11 0.00 0.00 -2.10 0.00 0.00 70.33 67.39 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 -3.03 1.52 0.01 3.42 3.41 -0.21 -4.80 113.62 113.93 1sui n SER 37 Ca -0.36 -1.55 -0.00 0.00 -0.26 0.00 0.00 58.87 56.70 1sui n SER 37 Cb 0.95 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.90 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 -0.27 0.20 -0.12 -3.33 0.31 -1.00 -4.89 118.33 109.22 1sui n VAL 38 Ca 0.00 0.10 -0.05 0.00 -0.01 0.00 0.00 64.34 64.38 1sui n VAL 38 Cb 0.15 -1.15 0.01 0.00 -0.91 0.00 0.00 33.84 31.94 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 -0.02 -0.53 -2.61 3.52 0.04 -1.15 -3.38 116.94 112.81 1sui h PHE 39 Ca 0.00 0.05 -0.54 0.00 2.80 0.00 0.00 57.97 60.28 1sui h PHE 39 Cb 0.02 0.30 0.01 0.00 2.20 0.00 0.00 35.95 38.47 1sui h PHE 39 CO -0.01 -0.29 1.07 -2.14 -0.60 0.00 0.00 178.31 176.34 1sui s PRO 40 N -6.13 4.18 -0.23 1.51 0.02 -1.26 -3.31 135.00 129.78 1sui s PRO 40 Ca -0.14 2.31 -0.01 0.00 0.02 0.00 0.00 61.00 63.18 1sui s PRO 40 Cb 0.15 -3.85 0.00 0.00 0.02 0.00 0.00 34.50 30.82 1sui s PRO 40 CO 0.70 -0.81 0.23 0.54 -0.33 0.00 0.00 177.00 177.33 1sui n ARG 41 N 6.53 -0.54 -3.04 5.54 1.74 -1.26 -4.93 116.66 120.70 1sui n ARG 41 Ca 0.17 0.89 -0.17 0.00 -0.77 0.00 0.00 57.85 57.97 1sui n ARG 41 Cb 0.42 -2.97 -0.01 0.00 -1.02 0.00 0.00 32.46 28.88 1sui n ARG 41 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1sui n GLU 42 N -1.08 0.87 0.00 5.56 0.28 -1.21 -4.95 120.64 120.10 1sui n GLU 42 Ca 0.01 -2.83 0.00 0.00 -0.16 0.00 0.00 57.16 54.18 1sui n GLU 42 Cb 0.43 -1.40 0.00 0.00 1.43 0.00 0.00 31.44 31.90 1sui n GLU 42 CO 0.00 0.00 0.00 1.58 -0.16 0.00 0.00 177.13 178.55 1sui n HIS 43 N 0.87 0.00 0.00 -1.84 -0.00 -1.26 -4.37 115.22 108.62 1sui n HIS 43 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.90 1sui n HIS 43 Cb 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.61 1sui n HIS 43 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.34 175.49 1sui n GLU 44 N 0.00 0.00 -0.35 1.57 0.28 -1.26 -4.89 120.64 116.00 1sui n GLU 44 Ca 0.00 0.00 0.12 0.00 -0.16 0.00 0.00 57.16 57.12 1sui n GLU 44 Cb 0.00 0.00 0.32 0.00 1.43 0.00 0.00 31.44 33.19 1sui n GLU 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1sui h ALA 45 N 0.00 1.68 -0.55 -1.84 0.00 -1.97 0.81 119.26 117.40 1sui h ALA 45 Ca 0.00 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1sui h ALA 45 Cb 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1sui h ALA 45 CO 0.00 -0.01 0.08 0.52 0.00 0.00 0.00 179.25 179.84 1sui h MET 46 N 0.80 0.91 -0.11 0.00 2.86 -1.90 0.95 114.93 118.43 1sui h MET 46 Ca 0.55 -0.25 0.00 0.00 -2.06 0.00 0.00 59.70 57.95 1sui h MET 46 Cb 0.81 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.36 1sui h MET 46 CO -0.33 0.88 0.06 -0.22 1.06 0.00 0.00 176.91 178.36 1sui h LYS 47 N 0.80 0.12 0.11 1.72 3.64 0.15 0.29 116.57 123.41 1sui h LYS 47 Ca 0.17 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 1sui h LYS 47 Cb 0.42 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1sui h LYS 47 CO 0.01 0.08 -0.06 0.93 -2.27 0.00 0.00 179.45 178.14 1sui h GLU 48 N 0.12 -0.16 -1.21 1.90 5.08 0.19 -2.51 114.58 118.01 1sui h GLU 48 Ca 0.04 0.01 0.37 0.00 -1.00 0.00 0.00 59.36 58.79 1sui h GLU 48 Cb 0.00 0.04 -0.12 0.00 0.50 0.00 0.00 28.75 29.17 1sui h GLU 48 CO -0.03 -0.11 0.77 1.25 -1.00 0.00 0.00 179.01 179.90 1sui h LEU 49 N -0.16 0.32 -1.45 1.33 5.85 -0.81 1.90 115.31 122.29 1sui h LEU 49 Ca -0.02 0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 1sui h LEU 49 Cb 0.13 0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.25 1sui h LEU 49 CO 0.02 -0.10 -0.09 -0.09 -0.34 0.00 0.00 178.44 177.84 1sui h ARG 50 N 0.19 0.00 0.15 1.25 2.43 -0.74 -1.79 114.38 115.88 1sui h ARG 50 Ca 0.74 0.00 -0.28 0.00 -0.81 0.00 0.00 59.98 59.63 1sui h ARG 50 Cb 2.18 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 31.74 1sui h ARG 50 CO -0.39 0.09 -1.39 0.93 -1.51 0.00 0.00 179.97 177.70 1sui h GLU 51 N 0.00 0.32 0.11 0.20 5.08 0.34 -2.97 114.58 117.66 1sui h GLU 51 Ca -0.00 -0.55 0.01 0.00 -1.00 0.00 0.00 59.36 57.82 1sui h GLU 51 Cb 0.55 0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 1sui h GLU 51 CO 0.01 1.26 -0.13 0.28 -1.00 0.00 0.00 179.01 179.43 1sui h VAL 52 N -0.17 0.70 0.00 3.13 2.07 -1.16 -2.66 116.25 118.16 1sui h VAL 52 Ca -0.28 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.22 1sui h VAL 52 Cb 1.86 0.70 -0.00 0.00 -1.52 0.00 0.00 31.29 32.33 1sui h VAL 52 CO 0.13 0.00 -0.11 0.74 0.02 0.00 0.00 177.57 178.35 1sui h THR 53 N -0.28 1.03 0.00 2.57 2.02 -1.46 -2.73 112.91 114.06 1sui h THR 53 Ca 0.01 -0.38 -0.00 0.00 0.77 0.00 0.00 66.41 66.81 1sui h THR 53 Cb 0.28 1.21 -0.00 0.00 -1.74 0.00 0.00 68.15 67.90 1sui h THR 53 CO -0.05 0.11 -0.01 0.00 0.37 0.00 0.00 175.52 175.94 1sui h ALA 54 N 1.89 1.31 0.00 6.16 0.00 -1.30 -1.41 119.26 125.91 1sui h ALA 54 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1sui h ALA 54 Cb 0.20 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1sui h ALA 54 CO 0.01 0.01 -0.45 1.17 0.00 0.00 0.00 179.25 180.00 1sui n LYS 55 N -3.54 0.16 -2.76 0.00 0.00 -1.03 -4.88 118.16 106.10 1sui n LYS 55 Ca -0.03 0.06 -0.40 0.00 0.00 0.00 0.00 58.31 57.94 1sui n LYS 55 Cb 0.09 -1.62 -0.06 0.00 0.00 0.00 0.00 35.03 33.45 1sui n LYS 55 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.40 175.82 1sui s HIS 56 N -3.09 3.97 0.17 5.64 2.46 -0.53 -5.00 115.29 118.91 1sui s HIS 56 Ca 0.09 1.89 -0.20 0.00 0.47 0.00 0.00 55.06 57.31 1sui s HIS 56 Cb 0.15 -2.98 0.09 0.00 -0.13 0.00 0.00 32.58 29.72 1sui s HIS 56 CO 0.68 0.43 1.62 -1.35 -2.47 0.00 0.00 174.74 173.66 1sui h PRO 57 N 4.32 -0.16 -0.96 2.88 0.11 -1.90 -2.46 132.00 133.83 1sui h PRO 57 Ca -0.45 0.01 -0.18 0.00 0.11 0.00 0.00 66.00 65.50 1sui h PRO 57 Cb 1.20 0.04 -0.10 0.00 0.11 0.00 0.00 31.00 32.24 1sui h PRO 57 CO 0.68 -0.10 0.22 0.91 -0.21 0.00 0.00 178.00 179.50 1sui n TRP 58 N -5.39 1.24 0.14 0.65 8.01 -1.26 -4.52 117.44 116.31 1sui n TRP 58 Ca 0.02 -0.91 0.07 0.00 -1.31 0.00 0.00 57.50 55.36 1sui n TRP 58 Cb 0.31 -0.49 0.36 0.00 -2.01 0.00 0.00 31.31 29.47 1sui n TRP 58 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.69 176.95 1sui n ASN 59 N -0.11 0.34 0.31 -0.99 0.23 -0.93 -1.60 115.26 112.52 1sui n ASN 59 Ca 0.23 0.57 0.20 0.00 -0.53 0.00 0.00 54.58 55.06 1sui n ASN 59 Cb 0.93 -0.55 1.04 0.00 -2.08 0.00 0.00 39.78 39.12 1sui n ASN 59 CO 0.00 0.00 0.00 -0.29 -0.93 0.00 0.00 177.26 176.04 1sui h ILE 60 N 0.00 0.00 0.00 1.53 2.10 -1.87 -2.33 117.51 116.94 1sui h ILE 60 Ca 0.00 -0.12 0.00 0.00 1.08 0.00 0.00 64.86 65.82 1sui h ILE 60 Cb 0.43 1.07 0.00 0.00 -1.09 0.00 0.00 36.82 37.23 1sui h ILE 60 CO 0.00 0.00 -0.41 0.24 -1.08 0.00 0.00 178.15 176.90 1sui h MET 61 N 0.00 0.00 -6.70 2.19 2.86 -1.70 -3.47 114.93 108.12 1sui h MET 61 Ca 0.00 0.00 -0.56 0.00 -2.06 0.00 0.00 59.70 57.08 1sui h MET 61 Cb 0.12 0.00 0.09 0.00 0.06 0.00 0.00 31.60 31.87 1sui h MET 61 CO 0.00 0.00 0.69 -2.37 1.06 0.00 0.00 176.91 176.29 1sui n THR 62 N -2.72 1.19 -1.72 2.22 5.66 -0.88 -4.91 114.28 113.12 1sui n THR 62 Ca 0.03 -0.30 -0.40 0.00 -3.05 0.00 0.00 64.05 60.33 1sui n THR 62 Cb 0.51 -1.68 0.03 0.00 -1.55 0.00 0.00 70.33 67.64 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 1.66 3.10 -1.86 1.09 -1.04 -1.26 -4.97 114.28 111.00 1sui n THR 63 Ca 0.09 -0.50 -0.32 0.00 -2.04 0.00 0.00 64.05 61.28 1sui n THR 63 Cb 0.34 -1.64 0.03 0.00 -1.82 0.00 0.00 70.33 67.24 1sui n THR 63 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1sui s SER 64 N -0.68 5.49 0.31 8.00 1.04 -1.26 -4.89 113.70 121.71 1sui s SER 64 Ca 0.65 1.83 -0.01 0.00 0.48 0.00 0.00 55.95 58.90 1sui s SER 64 Cb -0.46 -2.53 0.48 0.00 0.10 0.00 0.00 66.02 63.62 1sui s SER 64 CO 0.54 -1.36 1.96 0.00 0.98 0.00 0.00 173.24 175.36 1sui h ALA 65 N 0.09 1.42 -0.00 5.32 0.00 -1.99 -1.05 119.26 123.03 1sui h ALA 65 Ca -0.46 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.26 1sui h ALA 65 Cb 1.23 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1sui h ALA 65 CO 0.56 0.52 -0.56 0.38 0.00 0.00 0.00 179.25 180.15 1sui h ASP 66 N 1.02 0.02 1.13 0.00 2.03 -1.98 -2.08 116.42 116.55 1sui h ASP 66 Ca 0.27 -0.01 -0.15 0.00 -0.73 0.00 0.00 57.03 56.41 1sui h ASP 66 Cb -0.07 -0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.40 1sui h ASP 66 CO -0.05 0.57 -0.71 -0.08 -1.03 0.00 0.00 179.24 177.94 1sui h GLU 67 N 0.01 0.00 -0.39 4.15 4.81 -1.79 -1.34 114.58 120.03 1sui h GLU 67 Ca -0.01 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.08 1sui h GLU 67 Cb 0.99 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.36 1sui h GLU 67 CO 0.07 0.71 -0.31 0.78 -0.73 0.00 0.00 179.01 179.53 1sui h GLY 68 N 2.97 0.95 0.96 1.92 0.00 -1.01 -1.69 103.07 107.17 1sui h GLY 68 Ca -0.01 -0.91 -0.02 0.00 0.00 0.00 0.00 47.33 46.40 1sui h GLY 68 CO 0.09 0.82 0.20 -1.61 0.00 0.00 0.00 176.54 176.04 1sui h GLN 69 N 0.74 0.62 -0.64 4.80 4.15 -1.21 -1.06 115.11 122.51 1sui h GLN 69 Ca 0.08 -0.10 -0.02 0.00 0.77 0.00 0.00 58.65 59.38 1sui h GLN 69 Cb 0.88 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 28.43 1sui h GLN 69 CO 0.08 0.54 0.33 0.35 -1.93 0.00 0.00 178.83 178.20 1sui h PHE 70 N 0.54 0.90 -0.48 3.99 3.57 -1.10 -1.56 116.94 122.79 1sui h PHE 70 Ca 0.14 -0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 1sui h PHE 70 Cb 0.13 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.57 1sui h PHE 70 CO -0.01 0.66 0.30 -0.07 -2.23 0.00 0.00 178.31 176.96 1sui h LEU 71 N 0.87 0.58 -0.44 0.59 3.38 -1.05 0.82 115.31 120.06 1sui h LEU 71 Ca 0.22 -0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.20 1sui h LEU 71 Cb 0.08 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.63 1sui h LEU 71 CO -0.03 0.46 0.15 0.28 0.09 0.00 0.00 178.44 179.39 1sui h SER 72 N 0.65 0.15 0.74 -0.43 0.02 -0.86 0.29 113.55 114.11 1sui h SER 72 Ca 0.17 0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 61.14 1sui h SER 72 Cb -0.02 0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.57 1sui h SER 72 CO -0.03 0.12 -0.40 -0.03 -1.14 0.00 0.00 176.83 175.34 1sui h MET 73 N 0.31 -1.02 -0.63 3.45 1.85 -0.87 -1.77 114.93 116.25 1sui h MET 73 Ca 0.21 0.07 0.12 0.00 -0.61 0.00 0.00 59.70 59.49 1sui h MET 73 Cb 0.21 0.23 -0.09 0.00 0.43 0.00 0.00 31.60 32.39 1sui h MET 73 CO -0.22 -0.68 0.17 1.25 -0.40 0.00 0.00 176.91 177.03 1sui h LEU 74 N -1.06 0.07 -0.70 3.39 5.85 -0.50 0.08 115.31 122.44 1sui h LEU 74 Ca -0.10 0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 1sui h LEU 74 Cb 0.83 0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.96 1sui h LEU 74 CO 0.13 0.04 0.36 -0.07 -0.34 0.00 0.00 178.44 178.56 1sui h LEU 75 N 0.31 0.90 -0.08 2.25 3.38 -0.31 -2.23 115.31 119.53 1sui h LEU 75 Ca 0.34 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 1sui h LEU 75 Cb 0.50 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 1sui h LEU 75 CO -0.40 0.77 0.02 0.11 0.09 0.00 0.00 178.44 179.03 1sui h LYS 76 N 0.97 0.12 0.00 1.13 1.79 -0.38 -2.48 116.57 117.73 1sui h LYS 76 Ca 0.24 -0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 58.68 1sui h LYS 76 Cb 0.09 -0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 30.72 1sui h LYS 76 CO -0.03 0.29 -0.02 -0.07 -1.08 0.00 0.00 179.45 178.53 1sui h LEU 77 N -0.07 0.00 -2.46 2.94 3.38 -0.81 -2.21 115.31 116.08 1sui h LEU 77 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1sui h LEU 77 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1sui h LEU 77 CO -0.00 0.02 0.00 2.30 0.09 0.00 0.00 178.44 180.85 1sui n ILE 78 N -4.27 0.66 -3.67 1.22 -5.35 -0.86 -4.95 119.36 102.14 1sui n ILE 78 Ca -0.03 -0.83 -0.28 0.00 -0.27 0.00 0.00 62.75 61.34 1sui n ILE 78 Cb 0.11 0.82 0.01 0.00 -1.74 0.00 0.00 39.64 38.83 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 1.37 -4.29 -4.74 7.28 3.02 -0.83 -4.88 115.26 112.20 1sui n ASN 79 Ca 0.19 -0.62 -0.42 0.00 -0.03 0.00 0.00 54.58 53.70 1sui n ASN 79 Cb 0.57 -3.48 -0.02 0.00 -0.61 0.00 0.00 39.78 36.24 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 -3.14 3.77 -0.02 5.41 0.00 -1.04 -4.90 121.76 121.84 1sui s ALA 80 Ca 0.55 1.47 -0.00 0.00 0.00 0.00 0.00 51.96 53.98 1sui s ALA 80 Cb -0.28 -3.63 -0.01 0.00 0.00 0.00 0.00 23.12 19.20 1sui s ALA 80 CO 0.67 -0.87 -0.02 1.63 0.00 0.00 0.00 175.76 177.18 1sui n LYS 81 N 2.99 0.04 -3.76 0.00 5.02 -1.26 -4.52 118.16 116.67 1sui n LYS 81 Ca 0.11 0.01 -0.37 0.00 -2.02 0.00 0.00 58.31 56.04 1sui n LYS 81 Cb 0.38 -0.81 -0.13 0.00 -0.02 0.00 0.00 35.03 34.46 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 -4.65 5.18 0.35 4.39 2.47 -1.26 -1.43 114.94 119.99 1sui s ASN 82 Ca -0.02 -0.92 0.03 0.00 0.42 0.00 0.00 52.86 52.37 1sui s ASN 82 Cb 0.01 -1.87 -0.04 0.00 -1.45 0.00 0.00 41.25 37.90 1sui s ASN 82 CO 0.04 -0.25 0.09 0.42 -3.72 0.00 0.00 177.10 173.68 1sui s THR 83 N 1.45 0.84 0.00 -5.21 -4.23 0.44 -0.77 115.64 108.16 1sui s THR 83 Ca 0.01 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.52 1sui s THR 83 Cb -0.18 -2.57 -0.00 0.00 1.34 0.00 0.00 72.50 71.08 1sui s THR 83 CO 0.02 0.00 -0.00 -0.32 -0.54 0.00 0.00 174.62 173.78 1sui s MET 84 N -3.83 0.01 -0.08 3.99 1.75 -0.58 -0.81 119.30 119.75 1sui s MET 84 Ca 0.31 -0.02 0.01 0.00 -1.25 0.00 0.00 55.69 54.74 1sui s MET 84 Cb 0.06 0.00 0.02 0.00 2.84 0.00 0.00 34.83 37.75 1sui s MET 84 CO 0.15 -0.00 -0.10 -2.00 -0.65 0.00 0.00 175.02 172.42 1sui s GLU 85 N -0.04 1.56 -0.28 4.11 2.12 0.11 -0.76 118.70 125.52 1sui s GLU 85 Ca -0.00 -0.33 -0.04 0.00 0.36 0.00 0.00 54.97 54.96 1sui s GLU 85 Cb -0.00 -1.42 0.03 0.00 0.26 0.00 0.00 34.13 32.99 1sui s GLU 85 CO -0.00 -0.09 0.01 0.42 -0.54 0.00 0.00 175.26 175.06 1sui s ILE 86 N 1.07 3.31 0.00 -3.70 1.01 0.35 -0.90 121.20 122.34 1sui s ILE 86 Ca -0.07 -1.00 0.00 0.00 0.00 0.00 0.00 60.65 59.58 1sui s ILE 86 Cb -0.14 -2.75 0.00 0.00 0.01 0.00 0.00 42.46 39.58 1sui s ILE 86 CO -0.01 0.07 0.00 0.61 0.00 0.00 0.00 174.94 175.61 1sui n GLY 87 N 4.73 0.14 0.14 6.18 0.00 0.01 -0.51 105.19 115.88 1sui n GLY 87 Ca -0.15 -0.78 -0.28 0.00 0.00 0.00 0.00 46.02 44.80 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 0.51 1.53 -1.22 1.61 0.31 -1.24 -4.67 118.33 115.16 1sui n VAL 88 Ca 0.00 -0.41 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 1sui n VAL 88 Cb 0.00 -1.82 0.00 0.00 -0.91 0.00 0.00 33.84 31.11 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 -4.13 0.00 0.00 3.52 9.36 -1.26 -2.31 117.16 122.34 1sui n TYR 89 Ca -0.54 0.00 0.00 0.00 3.32 0.00 0.00 57.90 60.68 1sui n TYR 89 Cb 0.90 -0.53 0.00 0.00 -0.63 0.00 0.00 39.34 39.08 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 1.56 0.00 0.00 2.97 -1.04 -1.17 -4.07 114.28 112.53 1sui n THR 90 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1sui n THR 90 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 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 1.00 0.20 3.41 0.00 -0.98 -3.38 105.19 105.45 1sui n GLY 91 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.40 -0.60 1.61 5.03 -1.76 0.20 116.97 121.05 1sui h TYR 92 Ca 0.00 0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.32 1sui h TYR 92 Cb 0.00 0.18 -0.03 0.00 1.55 0.00 0.00 36.73 38.43 1sui h TYR 92 CO 0.00 -0.23 0.36 0.77 -1.32 0.00 0.00 178.16 177.74 1sui h SER 93 N -0.26 0.73 0.37 -2.11 0.02 -1.90 -1.93 113.55 108.46 1sui h SER 93 Ca 0.05 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 1sui h SER 93 Cb 0.32 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 1sui h SER 93 CO -0.14 0.58 -0.29 0.25 -1.14 0.00 0.00 176.83 176.09 1sui h LEU 94 N 0.81 -0.76 -0.31 5.07 6.46 -1.81 0.62 115.31 125.39 1sui h LEU 94 Ca 0.22 0.06 0.07 0.00 -0.12 0.00 0.00 57.88 58.10 1sui h LEU 94 Cb -0.01 0.24 -0.07 0.00 -0.73 0.00 0.00 40.66 40.10 1sui h LEU 94 CO -0.04 -0.44 -0.12 0.25 -0.62 0.00 0.00 178.44 177.47 1sui h LEU 95 N -0.66 -0.43 -0.53 2.25 6.46 -0.50 0.26 115.31 122.16 1sui h LEU 95 Ca -0.03 0.11 0.06 0.00 -0.12 0.00 0.00 57.88 57.90 1sui h LEU 95 Cb 0.58 0.25 -0.05 0.00 -0.73 0.00 0.00 40.66 40.70 1sui h LEU 95 CO -0.01 -0.16 0.24 0.00 -0.62 0.00 0.00 178.44 177.89 1sui h ALA 96 N 1.21 0.68 -0.22 1.25 0.00 -1.09 -1.06 119.26 120.02 1sui h ALA 96 Ca 0.16 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1sui h ALA 96 Cb 0.31 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1sui h ALA 96 CO -0.36 -0.13 0.06 1.15 0.00 0.00 0.00 179.25 179.97 1sui h THR 97 N 0.46 1.20 -0.28 0.00 2.02 0.28 -2.30 112.91 114.30 1sui h THR 97 Ca 0.25 -0.65 -0.02 0.00 0.77 0.00 0.00 66.41 66.75 1sui h THR 97 Cb 0.21 1.22 -0.02 0.00 -1.74 0.00 0.00 68.15 67.82 1sui h THR 97 CO -0.20 0.21 0.06 0.00 0.37 0.00 0.00 175.52 175.96 1sui h ALA 98 N 0.87 1.60 0.00 6.16 0.00 -0.19 -0.99 119.26 126.72 1sui h ALA 98 Ca 0.07 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1sui h ALA 98 Cb 0.26 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1sui h ALA 98 CO -0.00 0.31 0.00 -0.07 0.00 0.00 0.00 179.25 179.49 1sui h LEU 99 N 0.39 0.00 0.03 0.00 3.38 -1.05 -3.32 115.31 114.74 1sui h LEU 99 Ca 0.10 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.74 1sui h LEU 99 Cb 0.16 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 1sui h LEU 99 CO -0.00 0.00 -1.92 0.00 0.09 0.00 0.00 178.44 176.61 1sui n ALA 100 N -2.06 1.37 -1.81 1.53 0.00 -0.48 -4.93 120.51 114.12 1sui n ALA 100 Ca 0.03 -0.84 -0.30 0.00 0.00 0.00 0.00 53.44 52.33 1sui n ALA 100 Cb 0.46 -0.67 0.04 0.00 0.00 0.00 0.00 19.45 19.28 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 -2.57 3.93 1.13 0.00 -4.36 -0.59 -4.73 121.20 114.01 1sui s ILE 101 Ca -0.11 0.63 -0.12 0.00 -0.26 0.00 0.00 60.65 60.78 1sui s ILE 101 Cb 0.07 -3.57 0.26 0.00 1.25 0.00 0.00 42.46 40.48 1sui s ILE 101 CO 0.80 -0.82 1.04 -2.16 0.24 0.00 0.00 174.94 174.05 1sui s PRO 102 N -5.25 -0.62 0.62 0.37 0.04 -1.26 -4.82 135.00 124.08 1sui s PRO 102 Ca 0.57 0.88 0.32 0.00 0.04 0.00 0.00 61.00 62.82 1sui s PRO 102 Cb -0.12 -1.59 1.78 0.00 0.04 0.00 0.00 34.50 34.62 1sui s PRO 102 CO 0.53 -3.54 2.09 1.49 0.04 0.00 0.00 177.00 177.62 1sui h GLU 103 N -2.49 0.00 -0.39 4.56 4.57 -1.96 -0.06 114.58 118.82 1sui h GLU 103 Ca -0.59 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 57.55 1sui h GLU 103 Cb 1.33 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.89 1sui h GLU 103 CO 0.50 0.00 0.03 -0.40 -1.18 0.00 0.00 179.01 177.96 1sui n ASP 104 N -3.44 4.25 -4.81 1.04 5.75 -1.26 -4.95 116.55 113.13 1sui n ASP 104 Ca 0.00 -3.09 -0.33 0.00 -0.01 0.00 0.00 54.79 51.36 1sui n ASP 104 Cb 0.32 -0.61 -0.02 0.00 -1.03 0.00 0.00 41.12 39.78 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 -1.66 2.22 0.01 6.12 0.00 -0.04 -4.99 107.32 108.98 1sui s GLY 105 Ca 0.46 0.38 0.04 0.00 0.00 0.00 0.00 44.72 45.61 1sui s GLY 105 CO 0.10 0.68 -0.13 0.54 0.00 0.00 0.00 173.10 174.29 1sui s LYS 106 N -3.79 0.98 -0.07 2.90 1.02 -0.52 -4.52 119.74 115.75 1sui s LYS 106 Ca 0.63 -0.59 0.01 0.00 0.02 0.00 0.00 55.97 56.04 1sui s LYS 106 Cb -0.14 -0.97 0.02 0.00 -0.52 0.00 0.00 37.83 36.23 1sui s LYS 106 CO 0.29 0.25 -0.07 0.42 -0.92 0.00 0.00 175.35 175.32 1sui s ILE 107 N -0.54 0.80 -0.48 2.17 1.01 0.10 -0.42 121.20 123.83 1sui s ILE 107 Ca 0.03 -0.22 -0.18 0.00 0.00 0.00 0.00 60.65 60.28 1sui s ILE 107 Cb -0.06 -0.81 0.06 0.00 0.01 0.00 0.00 42.46 41.65 1sui s ILE 107 CO 0.00 0.30 0.53 -0.22 0.00 0.00 0.00 174.94 175.55 1sui s LEU 108 N 1.22 5.13 -0.22 2.97 2.96 0.01 -0.79 118.68 129.97 1sui s LEU 108 Ca -0.05 -0.99 -0.07 0.00 -0.22 0.00 0.00 54.13 52.80 1sui s LEU 108 Cb -0.14 -2.36 -0.03 0.00 0.50 0.00 0.00 46.19 44.15 1sui s LEU 108 CO -0.02 -0.77 0.07 0.00 -1.32 0.00 0.00 176.35 174.31 1sui s ALA 109 N 2.27 3.23 -0.10 5.97 0.00 -0.62 -0.71 121.76 131.79 1sui s ALA 109 Ca 0.11 -1.00 0.03 0.00 0.00 0.00 0.00 51.96 51.10 1sui s ALA 109 Cb -0.20 -2.01 -0.01 0.00 0.00 0.00 0.00 23.12 20.89 1sui s ALA 109 CO 0.11 -0.25 -0.19 -1.64 0.00 0.00 0.00 175.76 173.78 1sui s MET 110 N 1.19 3.06 -0.23 0.00 -1.94 -0.08 -0.60 119.30 120.69 1sui s MET 110 Ca 0.04 -0.80 -0.22 0.00 -1.71 0.00 0.00 55.69 53.01 1sui s MET 110 Cb -0.14 -2.41 0.06 0.00 2.01 0.00 0.00 34.83 34.35 1sui s MET 110 CO 0.03 0.26 0.63 0.34 -0.01 0.00 0.00 175.02 176.27 1sui s ASP 111 N 0.18 -0.65 0.38 3.03 -1.08 -1.14 -0.81 116.67 116.57 1sui s ASP 111 Ca -0.11 1.25 0.17 0.00 -0.52 0.00 0.00 52.55 53.34 1sui s ASP 111 Cb -0.16 1.26 0.73 0.00 -1.46 0.00 0.00 42.92 43.29 1sui s ASP 111 CO 0.06 -0.23 1.77 0.16 0.52 0.00 0.00 175.17 177.46 1sui h ILE 112 N 4.13 1.00 0.00 4.11 3.07 -1.88 -0.64 117.51 127.29 1sui h ILE 112 Ca -0.28 -1.44 0.00 0.00 1.55 0.00 0.00 64.86 64.68 1sui h ILE 112 Cb 1.17 1.84 0.00 0.00 -0.27 0.00 0.00 36.82 39.56 1sui h ILE 112 CO 0.12 0.37 0.00 -3.20 -1.05 0.00 0.00 178.15 174.39 1sui n ASN 113 N -3.69 0.00 0.00 2.16 2.85 -1.26 -4.37 115.26 110.95 1sui n ASN 113 Ca -0.01 0.03 0.00 0.00 -0.11 0.00 0.00 54.58 54.49 1sui n ASN 113 Cb 0.47 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.49 1sui n ASN 113 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 1sui n LYS 114 N -0.27 0.00 -0.01 1.20 4.81 -1.26 -4.83 118.16 117.80 1sui n LYS 114 Ca 0.00 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.32 1sui n LYS 114 Cb 0.00 -0.01 -0.08 0.00 0.02 0.00 0.00 35.03 34.96 1sui n LYS 114 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1sui h GLU 115 N 0.11 0.08 -0.48 1.64 3.07 -1.98 -2.66 114.58 114.37 1sui h GLU 115 Ca 0.00 -0.03 0.10 0.00 -0.50 0.00 0.00 59.36 58.93 1sui h GLU 115 Cb 0.00 -0.01 -0.09 0.00 -0.84 0.00 0.00 28.75 27.81 1sui h GLU 115 CO 0.00 0.39 -0.11 -0.91 -1.40 0.00 0.00 179.01 176.97 1sui h ASN 116 N -0.22 -0.43 -0.77 1.42 2.35 -2.00 -1.28 115.58 114.64 1sui h ASN 116 Ca 0.01 0.14 0.09 0.00 -0.55 0.00 0.00 56.30 55.99 1sui h ASN 116 Cb 0.35 0.29 -0.05 0.00 0.05 0.00 0.00 38.32 38.96 1sui h ASN 116 CO 0.00 -0.15 0.51 0.22 -1.65 0.00 0.00 177.43 176.36 1sui h TYR 117 N 0.00 0.77 0.00 1.19 3.20 -1.83 -0.30 116.97 120.00 1sui h TYR 117 Ca 0.23 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.12 1sui h TYR 117 Cb 0.35 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.37 1sui h TYR 117 CO -0.40 0.37 0.00 0.39 -1.64 0.00 0.00 178.16 176.88 1sui n GLU 118 N -4.50 0.16 0.06 1.82 1.02 -0.52 -2.12 120.64 116.55 1sui n GLU 118 Ca 0.13 0.21 -0.01 0.00 -0.02 0.00 0.00 57.16 57.47 1sui n GLU 118 Cb 0.30 -1.71 0.28 0.00 -0.02 0.00 0.00 31.44 30.29 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 0.37 0.00 -4.62 5.85 -0.65 -3.11 115.31 113.15 1sui h LEU 119 Ca 0.00 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.62 1sui h LEU 119 Cb 0.55 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.48 1sui h LEU 119 CO 0.00 0.57 -0.90 0.61 -0.34 0.00 0.00 178.44 178.39 1sui n GLY 120 N -0.61 -0.59 0.37 3.75 0.00 -1.08 -4.51 105.19 102.52 1sui n GLY 120 Ca -0.00 -0.46 0.12 0.00 0.00 0.00 0.00 46.02 45.67 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 0.62 -1.07 0.99 5.85 -1.35 -0.46 115.31 119.89 1sui h LEU 121 Ca 0.00 0.03 0.11 0.00 0.84 0.00 0.00 57.88 58.86 1sui h LEU 121 Cb 0.44 -0.09 -0.08 0.00 0.37 0.00 0.00 40.66 41.30 1sui h LEU 121 CO 0.00 0.33 0.62 -0.65 -0.34 0.00 0.00 178.44 178.40 1sui h PRO 122 N 0.66 0.95 -0.04 5.25 0.11 -1.79 -0.63 132.00 136.51 1sui h PRO 122 Ca 0.42 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.46 1sui h PRO 122 Cb 0.67 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 31.56 1sui h PRO 122 CO -0.18 0.63 -0.01 0.28 -0.21 0.00 0.00 178.00 178.52 1sui h VAL 123 N 0.98 1.28 -0.77 3.15 2.07 -1.41 -0.23 116.25 121.32 1sui h VAL 123 Ca 0.47 -0.86 0.09 0.00 0.82 0.00 0.00 66.70 67.22 1sui h VAL 123 Cb 0.45 1.78 -0.05 0.00 -1.52 0.00 0.00 31.29 31.95 1sui h VAL 123 CO -0.23 0.23 0.50 0.40 0.02 0.00 0.00 177.57 178.50 1sui h ILE 124 N -0.26 0.96 -0.22 4.57 2.04 -1.03 0.20 117.51 123.78 1sui h ILE 124 Ca 0.01 -0.24 -0.17 0.00 1.00 0.00 0.00 64.86 65.45 1sui h ILE 124 Cb 0.38 0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 36.64 1sui h ILE 124 CO 0.00 0.13 -0.56 0.11 0.00 0.00 0.00 178.15 177.83 1sui h LYS 125 N 0.71 0.68 0.00 2.37 1.57 -0.94 -1.85 116.57 119.11 1sui h LYS 125 Ca 0.35 -0.44 -0.07 0.00 -1.87 0.00 0.00 60.65 58.62 1sui h LYS 125 Cb 0.42 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 1sui h LYS 125 CO -0.13 1.06 -0.32 -0.22 -0.57 0.00 0.00 179.45 179.27 1sui h LYS 126 N 0.52 0.00 -0.03 3.15 3.64 0.78 0.15 116.57 124.78 1sui h LYS 126 Ca 0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1sui h LYS 126 Cb 1.14 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 1sui h LYS 126 CO 0.11 0.32 0.00 0.00 -2.27 0.00 0.00 179.45 177.62 1sui n ALA 127 N -2.40 2.62 -2.76 5.00 0.00 0.53 -4.91 120.51 118.59 1sui n ALA 127 Ca -0.02 -0.30 -0.21 0.00 0.00 0.00 0.00 53.44 52.92 1sui n ALA 127 Cb 0.39 -1.31 0.01 0.00 0.00 0.00 0.00 19.45 18.54 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 1.02 -0.51 0.00 0.00 0.00 0.04 -4.88 105.19 100.86 1sui n GLY 128 Ca 0.19 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 -4.20 0.57 0.28 1.61 3.14 -0.73 -4.69 118.33 114.30 1sui n VAL 129 Ca -0.16 -0.65 0.14 0.00 -2.96 0.00 0.00 64.34 60.70 1sui n VAL 129 Cb 0.64 0.78 0.66 0.00 -1.06 0.00 0.00 33.84 34.85 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 0.73 6.55 2.03 -1.85 -2.59 116.42 121.29 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 0.52 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.02 1sui h ASP 130 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 179.24 178.21 1sui n HIS 131 N -2.46 0.61 0.64 4.15 1.44 -1.26 -2.58 115.22 115.76 1sui n HIS 131 Ca -0.00 0.23 0.12 0.00 -2.01 0.00 0.00 57.72 56.06 1sui n HIS 131 Cb 0.14 -0.88 0.14 0.00 0.12 0.00 0.00 29.99 29.51 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 -2.05 0.24 -3.22 -1.40 5.02 -0.98 -4.90 118.16 110.88 1sui n LYS 132 Ca 0.03 0.04 -0.39 0.00 -2.02 0.00 0.00 58.31 55.98 1sui n LYS 132 Cb 0.23 -1.63 -0.05 0.00 -0.02 0.00 0.00 35.03 33.56 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 -3.15 5.08 -0.53 -0.18 1.01 -1.06 -0.73 121.20 121.64 1sui s ILE 133 Ca 0.06 1.16 0.02 0.00 0.00 0.00 0.00 60.65 61.90 1sui s ILE 133 Cb 0.14 -3.91 0.14 0.00 0.01 0.00 0.00 42.46 38.84 1sui s ILE 133 CO 0.74 0.33 0.29 -0.62 0.00 0.00 0.00 174.94 175.69 1sui s ASP 134 N 0.44 4.57 0.19 3.58 2.15 0.03 -4.95 116.67 122.68 1sui s ASP 134 Ca 0.30 -2.92 -0.26 0.00 0.43 0.00 0.00 52.55 50.10 1sui s ASP 134 Cb -0.17 -1.69 -0.08 0.00 -0.30 0.00 0.00 42.92 40.68 1sui s ASP 134 CO 0.14 -0.27 0.81 0.12 -0.17 0.00 0.00 175.17 175.80 1sui s PHE 135 N -0.17 3.89 -0.15 -5.34 5.36 -1.26 -1.59 117.98 118.73 1sui s PHE 135 Ca 0.17 1.67 -0.01 0.00 -0.96 0.00 0.00 56.93 57.79 1sui s PHE 135 Cb -0.24 -2.80 0.04 0.00 -0.34 0.00 0.00 43.02 39.68 1sui s PHE 135 CO -0.01 0.48 -0.01 1.03 -1.46 0.00 0.00 175.22 175.24 1sui s ARG 136 N -1.27 1.00 0.20 10.12 3.00 0.23 -4.94 118.95 127.29 1sui s ARG 136 Ca 0.38 -0.31 -0.30 0.00 0.00 0.00 0.00 55.73 55.50 1sui s ARG 136 Cb -0.23 -1.73 -0.08 0.00 0.00 0.00 0.00 34.95 32.91 1sui s ARG 136 CO 0.27 -0.45 1.01 -2.00 0.00 0.00 0.00 175.30 174.13 1sui s GLU 137 N 1.79 4.73 0.00 3.54 2.12 -1.26 -2.91 118.70 126.71 1sui s GLU 137 Ca 0.02 1.58 0.00 0.00 0.36 0.00 0.00 54.97 56.93 1sui s GLU 137 Cb -0.15 -3.29 0.00 0.00 0.26 0.00 0.00 34.13 30.95 1sui s GLU 137 CO -0.07 0.30 0.00 0.41 -0.54 0.00 0.00 175.26 175.36 1sui n GLY 138 N 1.75 3.22 3.66 -1.50 0.00 -0.25 -4.92 105.19 107.15 1sui n GLY 138 Ca 0.00 -1.90 -0.44 0.00 0.00 0.00 0.00 46.02 43.69 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 -1.40 1.90 -0.05 1.61 -0.02 -1.26 -3.83 135.00 131.95 1sui n PRO 139 Ca 0.00 0.67 -0.14 0.00 -2.02 0.00 0.00 63.50 62.01 1sui n PRO 139 Cb 0.00 -2.22 -0.07 0.00 -0.02 0.00 0.00 33.50 31.18 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 2.92 0.23 -0.53 3.55 0.00 -1.96 -3.37 119.26 120.11 1sui h ALA 140 Ca -0.44 -0.41 0.10 0.00 0.00 0.00 0.00 54.91 54.16 1sui h ALA 140 Cb 1.30 -0.04 -0.11 0.00 0.00 0.00 0.00 17.79 18.94 1sui h ALA 140 CO 0.66 0.25 -0.27 -0.07 0.00 0.00 0.00 179.25 179.82 1sui h LEU 141 N 0.07 -0.94 -0.27 0.00 3.38 -1.98 -0.48 115.31 115.09 1sui h LEU 141 Ca 0.00 0.20 0.06 0.00 0.09 0.00 0.00 57.88 58.23 1sui h LEU 141 Cb 0.89 0.49 -0.08 0.00 0.09 0.00 0.00 40.66 42.05 1sui h LEU 141 CO 0.07 -0.28 -0.42 -0.65 0.09 0.00 0.00 178.44 177.24 1sui h PRO 142 N -0.15 -0.39 -0.71 1.13 0.11 -1.99 0.23 132.00 130.24 1sui h PRO 142 Ca 0.23 0.03 0.09 0.00 0.11 0.00 0.00 66.00 66.45 1sui h PRO 142 Cb 0.52 0.09 -0.07 0.00 0.11 0.00 0.00 31.00 31.65 1sui h PRO 142 CO -0.61 -0.26 0.36 0.28 -0.21 0.00 0.00 178.00 177.56 1sui h VAL 143 N -0.41 0.87 0.38 3.15 2.07 -1.58 -0.88 116.25 119.85 1sui h VAL 143 Ca 0.11 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 1sui h VAL 143 Cb 0.60 0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 30.56 1sui h VAL 143 CO -0.49 0.11 -0.22 -0.07 0.02 0.00 0.00 177.57 176.93 1sui h LEU 144 N 0.62 -0.54 -1.46 2.57 4.07 0.07 -1.58 115.31 119.06 1sui h LEU 144 Ca 0.34 0.03 0.19 0.00 0.08 0.00 0.00 57.88 58.52 1sui h LEU 144 Cb 0.34 0.16 -0.07 0.00 1.08 0.00 0.00 40.66 42.17 1sui h LEU 144 CO -0.25 -0.35 0.58 0.44 -1.08 0.00 0.00 178.44 177.77 1sui h ASP 145 N -0.57 0.46 -0.28 -0.43 3.32 0.08 -0.77 116.42 118.24 1sui h ASP 145 Ca -0.04 0.04 -0.12 0.00 0.02 0.00 0.00 57.03 56.92 1sui h ASP 145 Cb 0.46 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 39.96 1sui h ASP 145 CO 0.05 0.20 -0.31 -0.33 -1.72 0.00 0.00 179.24 177.13 1sui h GLU 146 N 0.47 0.70 -0.77 3.56 5.08 -0.61 -3.09 114.58 119.93 1sui h GLU 146 Ca 0.46 -0.38 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 1sui h GLU 146 Cb 1.04 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.27 1sui h GLU 146 CO -0.18 1.00 0.42 0.52 -1.00 0.00 0.00 179.01 179.76 1sui h MET 147 N 0.44 1.06 -0.68 2.33 2.86 -0.22 -2.48 114.93 118.24 1sui h MET 147 Ca 0.04 -0.12 0.10 0.00 -2.06 0.00 0.00 59.70 57.66 1sui h MET 147 Cb 0.89 -0.21 -0.04 0.00 0.06 0.00 0.00 31.60 32.29 1sui h MET 147 CO 0.08 0.78 0.45 0.82 1.06 0.00 0.00 176.91 180.10 1sui h ILE 148 N 1.07 0.92 -0.72 -1.22 1.08 -1.19 -2.51 117.51 114.95 1sui h ILE 148 Ca 0.27 -0.19 -0.01 0.00 -0.39 0.00 0.00 64.86 64.54 1sui h ILE 148 Cb 0.03 0.33 -0.03 0.00 -3.07 0.00 0.00 36.82 34.07 1sui h ILE 148 CO -0.04 0.10 0.39 0.11 -0.69 0.00 0.00 178.15 178.02 1sui h LYS 149 N 0.54 0.99 -5.89 2.37 1.57 -1.44 -3.39 116.57 111.32 1sui h LYS 149 Ca 0.31 -0.11 -0.59 0.00 -1.87 0.00 0.00 60.65 58.39 1sui h LYS 149 Cb 0.50 -0.20 -0.09 0.00 0.08 0.00 0.00 32.23 32.52 1sui h LYS 149 CO -0.10 0.73 0.52 0.34 -0.57 0.00 0.00 179.45 180.37 1sui s ASP 150 N -6.40 6.78 0.48 0.86 -1.08 -0.94 -4.92 116.67 111.43 1sui s ASP 150 Ca -0.11 0.87 0.18 0.00 -0.52 0.00 0.00 52.55 52.97 1sui s ASP 150 Cb 0.17 -2.45 1.16 0.00 -1.46 0.00 0.00 42.92 40.35 1sui s ASP 150 CO 0.80 -0.64 2.04 1.05 0.52 0.00 0.00 175.17 178.93 1sui h GLU 151 N 7.96 0.00 0.00 4.34 -0.00 -1.83 -2.47 114.58 122.58 1sui h GLU 151 Ca -0.23 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.13 1sui h GLU 151 Cb 1.09 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.84 1sui h GLU 151 CO 0.91 0.14 0.00 1.63 -0.00 0.00 0.00 179.01 181.70 1sui n LYS 152 N -4.18 0.17 0.14 1.06 5.02 -1.26 -2.06 118.16 117.05 1sui n LYS 152 Ca -0.02 0.45 0.05 0.00 -2.02 0.00 0.00 58.31 56.77 1sui n LYS 152 Cb 0.22 -1.86 0.04 0.00 -0.02 0.00 0.00 35.03 33.41 1sui n LYS 152 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 1sui h ASN 153 N 0.00 0.00 -3.72 4.39 2.35 -1.71 -3.44 115.58 113.45 1sui h ASN 153 Ca 0.00 0.00 -0.55 0.00 -0.55 0.00 0.00 56.30 55.20 1sui h ASN 153 Cb 0.29 0.00 0.12 0.00 0.05 0.00 0.00 38.32 38.78 1sui h ASN 153 CO 0.00 0.37 0.61 1.41 -1.65 0.00 0.00 177.43 178.18 1sui n HIS 154 N -3.13 2.50 -3.12 1.19 8.25 -0.88 -2.32 115.22 117.72 1sui n HIS 154 Ca 0.01 0.48 -0.21 0.00 -0.26 0.00 0.00 57.72 57.74 1sui n HIS 154 Cb 0.69 -2.44 0.00 0.00 1.12 0.00 0.00 29.99 29.37 1sui n HIS 154 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1sui n GLY 155 N 0.66 -0.49 0.82 -1.41 0.00 0.29 -4.86 105.19 100.20 1sui n GLY 155 Ca 0.05 0.08 0.09 0.00 0.00 0.00 0.00 46.02 46.24 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 -2.24 2.81 -4.47 1.61 3.41 -0.98 -4.23 113.62 109.53 1sui n SER 156 Ca -0.06 -1.83 -0.31 0.00 -0.26 0.00 0.00 58.87 56.41 1sui n SER 156 Cb 0.57 -0.11 -0.13 0.00 -0.26 0.00 0.00 64.21 64.28 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 -1.36 2.63 -0.11 7.33 1.51 -1.09 -4.88 117.35 121.37 1sui s TYR 157 Ca 0.26 -0.21 0.06 0.00 -1.01 0.00 0.00 57.07 56.17 1sui s TYR 157 Cb 0.16 -1.52 -0.24 0.00 -0.11 0.00 0.00 41.96 40.25 1sui s TYR 157 CO 0.24 0.24 0.39 -0.25 -1.11 0.00 0.00 175.55 175.05 1sui n ASP 158 N 1.77 1.24 -3.81 2.29 8.00 0.05 -2.11 116.55 123.98 1sui n ASP 158 Ca -0.16 0.23 -0.13 0.00 0.71 0.00 0.00 54.79 55.44 1sui n ASP 158 Cb 0.52 -0.19 -0.13 0.00 -0.02 0.00 0.00 41.12 41.31 1sui n ASP 158 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1sui s PHE 159 N -2.56 -0.15 -0.11 1.24 5.36 -1.22 -4.46 117.98 116.08 1sui s PHE 159 Ca -0.14 0.39 -0.02 0.00 -0.96 0.00 0.00 56.93 56.19 1sui s PHE 159 Cb 0.07 0.04 0.04 0.00 -0.34 0.00 0.00 43.02 42.83 1sui s PHE 159 CO 0.79 -0.09 0.03 0.42 -1.46 0.00 0.00 175.22 174.91 1sui s ILE 160 N 0.21 0.25 -0.22 3.12 1.01 -1.10 -1.52 121.20 122.94 1sui s ILE 160 Ca -0.01 -0.01 -0.09 0.00 0.00 0.00 0.00 60.65 60.54 1sui s ILE 160 Cb -0.02 -0.58 -0.04 0.00 0.01 0.00 0.00 42.46 41.83 1sui s ILE 160 CO -0.01 0.07 0.12 0.12 0.00 0.00 0.00 174.94 175.24 1sui s PHE 161 N 2.01 3.27 -0.32 3.97 5.36 0.06 -0.07 117.98 132.26 1sui s PHE 161 Ca 0.03 0.11 -0.01 0.00 -0.96 0.00 0.00 56.93 56.10 1sui s PHE 161 Cb -0.14 -2.21 0.07 0.00 -0.34 0.00 0.00 43.02 40.40 1sui s PHE 161 CO -0.06 0.05 0.04 0.08 -1.46 0.00 0.00 175.22 173.87 1sui s VAL 162 N 0.90 2.94 -0.38 3.12 1.01 0.78 -0.50 120.40 128.26 1sui s VAL 162 Ca 0.06 -1.63 0.13 0.00 0.00 0.00 0.00 61.98 60.54 1sui s VAL 162 Cb -0.13 -2.80 0.41 0.00 0.00 0.00 0.00 36.38 33.85 1sui s VAL 162 CO 0.03 -0.27 0.90 -0.67 0.00 0.00 0.00 175.10 175.09 1sui n ASP 163 N 4.57 2.01 0.00 3.32 2.03 0.33 -1.67 116.55 127.15 1sui n ASP 163 Ca -0.09 -3.05 0.00 0.00 0.52 0.00 0.00 54.79 52.17 1sui n ASP 163 Cb 0.43 -0.55 0.00 0.00 -0.72 0.00 0.00 41.12 40.27 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 -0.03 0.00 -0.24 -1.67 0.00 -1.16 -4.40 120.51 113.02 1sui n ALA 164 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1sui n ALA 164 Cb 0.70 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.15 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 -4.92 116.55 120.29 1sui n ASP 165 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 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 0.00 0.00 0.00 -1.24 3.00 -1.26 -4.81 118.16 113.85 1sui n LYS 166 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1sui n LYS 166 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 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 0.35 0.00 3.14 5.75 -1.26 -2.44 116.55 122.08 1sui n ASP 167 Ca 0.00 -1.76 0.00 0.00 -0.01 0.00 0.00 54.79 53.02 1sui n ASP 167 Cb 0.00 -0.17 0.00 0.00 -1.03 0.00 0.00 41.12 39.92 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 -0.28 0.51 -0.09 -1.12 3.02 -1.26 -4.86 115.26 111.18 1sui n ASN 168 Ca 0.00 -1.02 -0.09 0.00 -0.03 0.00 0.00 54.58 53.43 1sui n ASN 168 Cb 0.09 0.00 -0.02 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 0.00 0.40 -0.79 3.10 -1.99 -1.87 0.61 116.97 116.43 1sui h TYR 169 Ca 0.00 -0.01 0.01 0.00 2.00 0.00 0.00 58.73 60.73 1sui h TYR 169 Cb 0.28 -0.13 -0.04 0.00 2.00 0.00 0.00 36.73 38.84 1sui h TYR 169 CO 0.00 0.32 0.52 1.25 -0.00 0.00 0.00 178.16 180.25 1sui h LEU 170 N 0.36 0.89 -0.39 3.88 7.12 -1.89 0.17 115.31 125.45 1sui h LEU 170 Ca 0.10 -0.02 -0.12 0.00 0.13 0.00 0.00 57.88 57.97 1sui h LEU 170 Cb 0.05 -0.22 -0.01 0.00 -0.53 0.00 0.00 40.66 39.95 1sui h LEU 170 CO -0.02 0.64 -0.23 0.78 -0.13 0.00 0.00 178.44 179.48 1sui h ASN 171 N 1.05 0.88 -0.00 1.25 2.35 -1.76 -2.69 115.58 116.65 1sui h ASN 171 Ca 0.29 -0.42 -0.00 0.00 -0.55 0.00 0.00 56.30 55.62 1sui h ASN 171 Cb -0.10 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.03 1sui h ASN 171 CO -0.07 1.11 0.00 1.88 -1.65 0.00 0.00 177.43 178.70 1sui h TYR 172 N 0.65 0.01 -0.90 1.19 0.05 0.02 -2.88 116.97 115.10 1sui h TYR 172 Ca 0.08 -0.00 0.21 0.00 0.05 0.00 0.00 58.73 59.07 1sui h TYR 172 Cb 0.80 -0.00 -0.12 0.00 1.01 0.00 0.00 36.73 38.42 1sui h TYR 172 CO 0.06 0.05 0.44 1.25 -1.05 0.00 0.00 178.16 178.91 1sui h HIS 173 N -0.04 0.74 -0.83 4.88 2.76 -0.63 0.83 115.15 122.86 1sui h HIS 173 Ca 0.00 0.04 0.18 0.00 -2.20 0.00 0.00 60.37 58.39 1sui h HIS 173 Cb 0.04 -0.19 -0.11 0.00 1.55 0.00 0.00 27.41 28.70 1sui h HIS 173 CO -0.06 0.03 0.35 0.87 -1.30 0.00 0.00 177.93 177.81 1sui h LYS 174 N 0.49 0.42 0.00 5.26 1.57 -1.24 -2.10 116.57 120.96 1sui h LYS 174 Ca 0.55 -0.03 -0.25 0.00 -1.87 0.00 0.00 60.65 59.06 1sui h LYS 174 Cb 0.99 -0.10 -0.05 0.00 0.08 0.00 0.00 32.23 33.16 1sui h LYS 174 CO -0.48 0.28 -2.24 2.89 -0.57 0.00 0.00 179.45 179.33 1sui n ARG 175 N -5.02 0.73 0.00 3.15 0.00 -0.32 -4.35 116.66 110.85 1sui n ARG 175 Ca 0.18 -0.07 0.03 0.00 -0.00 0.00 0.00 57.85 57.99 1sui n ARG 175 Cb 0.52 -1.51 0.40 0.00 -0.00 0.00 0.00 32.46 31.88 1sui n ARG 175 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 1sui h LEU 176 N 0.00 0.47 -2.37 2.89 4.07 0.82 -2.54 115.31 118.65 1sui h LEU 176 Ca -0.37 -0.03 -0.01 0.00 0.08 0.00 0.00 57.88 57.55 1sui h LEU 176 Cb 1.84 -0.12 -0.00 0.00 1.08 0.00 0.00 40.66 43.46 1sui h LEU 176 CO 0.02 0.38 -0.03 -0.29 -1.08 0.00 0.00 178.44 177.44 1sui h ILE 177 N 0.53 0.44 0.00 1.22 6.09 -1.58 -0.33 117.51 123.89 1sui h ILE 177 Ca 0.14 -0.17 0.00 0.00 -1.37 0.00 0.00 64.86 63.46 1sui h ILE 177 Cb 0.02 1.11 0.00 0.00 0.47 0.00 0.00 36.82 38.43 1sui h ILE 177 CO -0.02 0.03 -1.32 0.47 -3.07 0.00 0.00 178.15 174.24 1sui n ASP 178 N -3.65 0.52 0.06 2.19 8.00 -0.97 -4.16 116.55 118.54 1sui n ASP 178 Ca -0.03 0.06 0.02 0.00 0.71 0.00 0.00 54.79 55.55 1sui n ASP 178 Cb 0.13 1.04 -0.06 0.00 -0.02 0.00 0.00 41.12 42.21 1sui n ASP 178 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1sui h LEU 179 N 0.00 0.00 -9.84 0.64 3.38 -1.16 0.85 115.31 109.18 1sui h LEU 179 Ca 0.00 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.48 1sui h LEU 179 Cb 0.92 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.68 1sui h LEU 179 CO 0.00 0.51 0.43 -0.69 0.09 0.00 0.00 178.44 178.77 1sui s VAL 180 N -2.97 3.70 0.45 1.22 1.01 -0.23 -2.49 120.40 121.08 1sui s VAL 180 Ca -0.02 1.58 -0.01 0.00 0.00 0.00 0.00 61.98 63.54 1sui s VAL 180 Cb 0.09 -3.96 -0.01 0.00 0.00 0.00 0.00 36.38 32.50 1sui s VAL 180 CO 0.80 0.28 0.68 -1.59 0.00 0.00 0.00 175.10 175.27 1sui s LYS 181 N -1.71 3.18 0.46 2.72 0.00 -0.90 -3.92 119.74 119.58 1sui s LYS 181 Ca 0.48 -0.34 0.31 0.00 0.00 0.00 0.00 55.97 56.42 1sui s LYS 181 Cb -0.27 -2.53 1.42 0.00 0.00 0.00 0.00 37.83 36.44 1sui s LYS 181 CO 0.35 -0.22 1.68 -0.39 0.00 0.00 0.00 175.35 176.77 1sui h VAL 182 N 0.40 0.25 -0.89 1.79 -1.51 -1.88 0.54 116.25 114.94 1sui h VAL 182 Ca -0.47 -0.04 0.16 0.00 -1.23 0.00 0.00 66.70 65.11 1sui h VAL 182 Cb 1.24 0.11 -0.16 0.00 -2.13 0.00 0.00 31.29 30.35 1sui h VAL 182 CO 0.59 0.02 -0.32 1.23 -1.23 0.00 0.00 177.57 177.87 1sui h GLY 183 N 0.13 0.27 0.00 5.19 0.00 -1.92 -3.38 103.07 103.36 1sui h GLY 183 Ca 0.74 0.42 0.00 0.00 0.00 0.00 0.00 47.33 48.49 1sui h GLY 183 CO -0.26 -0.26 0.00 0.61 0.00 0.00 0.00 176.54 176.63 1sui n GLY 184 N -1.51 -1.15 1.53 4.60 0.00 0.19 -4.53 105.19 104.31 1sui n GLY 184 Ca 0.11 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 44.16 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 -6.72 -4.12 1.61 0.31 0.00 -4.31 118.33 105.11 1sui n VAL 185 Ca 0.00 1.31 -0.19 0.00 -0.01 0.00 0.00 64.34 65.45 1sui n VAL 185 Cb 0.00 -4.23 -0.16 0.00 -0.91 0.00 0.00 33.84 28.54 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 -0.24 0.46 -0.19 2.52 1.01 0.13 -2.73 121.20 122.15 1sui s ILE 186 Ca 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 60.65 60.55 1sui s ILE 186 Cb 0.00 -0.50 -0.01 0.00 0.01 0.00 0.00 42.46 41.97 1sui s ILE 186 CO 0.00 0.21 -0.08 -0.83 0.00 0.00 0.00 174.94 174.24 1sui s GLY 187 N 0.92 1.57 -0.25 6.18 0.00 0.90 -1.13 107.32 115.51 1sui s GLY 187 Ca -0.11 -1.10 -0.10 0.00 0.00 0.00 0.00 44.72 43.41 1sui s GLY 187 CO -0.00 0.26 0.15 -0.19 0.00 0.00 0.00 173.10 173.33 1sui s TYR 188 N 1.18 3.24 0.19 1.90 2.02 -0.92 -0.16 117.35 124.81 1sui s TYR 188 Ca 0.02 0.10 -0.07 0.00 -0.37 0.00 0.00 57.07 56.75 1sui s TYR 188 Cb -0.14 -2.30 -0.06 0.00 -0.40 0.00 0.00 41.96 39.06 1sui s TYR 188 CO -0.02 -0.07 0.46 0.34 -1.57 0.00 0.00 175.55 174.69 1sui s ASP 189 N 1.36 6.54 -1.20 2.29 2.15 -0.67 -0.60 116.67 126.54 1sui s ASP 189 Ca 0.07 0.73 -0.02 0.00 0.43 0.00 0.00 52.55 53.76 1sui s ASP 189 Cb -0.15 -2.15 0.00 0.00 -0.30 0.00 0.00 42.92 40.33 1sui s ASP 189 CO 0.07 -0.02 0.20 0.59 -0.17 0.00 0.00 175.17 175.84 1sui n ASN 190 N -0.12 -4.66 0.23 -0.34 4.13 0.65 -4.91 115.26 110.24 1sui n ASN 190 Ca -0.01 -0.10 0.16 0.00 1.68 0.00 0.00 54.58 56.31 1sui n ASN 190 Cb 0.52 -3.68 0.82 0.00 -1.54 0.00 0.00 39.78 35.90 1sui n ASN 190 CO 0.00 0.00 0.00 0.74 0.28 0.00 0.00 177.26 178.28 1sui h THR 191 N -0.46 0.00 -0.28 3.41 2.02 -1.41 0.17 112.91 116.36 1sui h THR 191 Ca -0.37 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 66.74 1sui h THR 191 Cb 1.26 0.82 0.00 0.00 -1.74 0.00 0.00 68.15 68.50 1sui h THR 191 CO 0.41 0.00 0.00 0.18 0.37 0.00 0.00 175.52 176.48 1sui n LEU 192 N -2.63 2.83 -3.66 2.58 4.77 -0.83 -4.91 117.00 115.15 1sui n LEU 192 Ca -0.01 -1.58 -0.14 0.00 -0.03 0.00 0.00 56.01 54.25 1sui n LEU 192 Cb 0.10 -0.18 -0.00 0.00 -2.33 0.00 0.00 43.42 41.00 1sui n LEU 192 CO 0.16 0.64 -0.08 1.87 -1.33 0.00 0.00 177.39 178.65 1sui n TRP 193 N 0.87 -0.44 -3.21 -1.77 -0.00 0.05 0.15 117.44 113.07 1sui n TRP 193 Ca 0.13 0.06 -0.22 0.00 -0.00 0.00 0.00 57.50 57.47 1sui n TRP 193 Cb 0.44 -0.91 0.05 0.00 -0.00 0.00 0.00 31.31 30.89 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 -0.25 -6.04 0.00 5.87 2.85 -1.26 -1.91 115.26 114.52 1sui n ASN 194 Ca -0.05 -0.37 0.00 0.00 -0.11 0.00 0.00 54.58 54.04 1sui n ASN 194 Cb 0.20 -4.78 0.00 0.00 1.24 0.00 0.00 39.78 36.44 1sui n ASN 194 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1sui n GLY 195 N -1.68 0.60 0.00 8.20 0.00 0.39 -4.74 105.19 107.96 1sui n GLY 195 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 1.61 3.41 -0.80 -1.28 113.62 116.56 1sui n SER 196 Ca 0.00 0.30 0.08 0.00 -0.26 0.00 0.00 58.87 59.00 1sui n SER 196 Cb 0.00 -0.30 0.43 0.00 -0.26 0.00 0.00 64.21 64.08 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 -1.30 0.51 -1.65 -3.33 0.24 -1.26 -2.88 118.33 108.67 1sui n VAL 197 Ca 0.00 0.13 0.00 0.00 -2.04 0.00 0.00 64.34 62.43 1sui n VAL 197 Cb 0.19 -0.84 0.00 0.00 -1.47 0.00 0.00 33.84 31.71 1sui n VAL 197 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 1sui n VAL 198 N -1.30 0.00 -2.08 3.34 0.24 -0.41 -5.07 118.33 113.05 1sui n VAL 198 Ca 0.08 0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 61.98 1sui n VAL 198 Cb 0.14 0.64 -0.01 0.00 -1.47 0.00 0.00 33.84 33.14 1sui n VAL 198 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1sui s ALA 199 N 0.00 3.31 0.05 2.33 0.00 -1.14 -4.95 121.76 121.36 1sui s ALA 199 Ca 0.00 1.22 -0.32 0.00 0.00 0.00 0.00 51.96 52.86 1sui s ALA 199 Cb 0.00 -3.48 -0.11 0.00 0.00 0.00 0.00 23.12 19.53 1sui s ALA 199 CO 0.00 -0.77 1.86 -0.35 0.00 0.00 0.00 175.76 176.50 1sui n PRO 200 N 0.28 2.58 -0.11 0.00 -0.04 -1.26 -4.85 135.00 131.59 1sui n PRO 200 Ca 0.03 0.94 -0.08 0.00 -0.04 0.00 0.00 63.50 64.35 1sui n PRO 200 Cb 0.43 -2.82 -0.02 0.00 -0.04 0.00 0.00 33.50 31.05 1sui n PRO 200 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1sui n PRO 201 N 6.12 0.09 0.00 0.54 -0.02 -1.26 -1.05 135.00 139.42 1sui n PRO 201 Ca 0.20 -0.62 0.00 0.00 -2.02 0.00 0.00 63.50 61.05 1sui n PRO 201 Cb 0.35 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 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 5.61 0.00 -3.69 2.55 5.68 -1.26 -5.06 116.55 120.37 1sui n ASP 202 Ca 0.09 0.00 -0.33 0.00 -0.50 0.00 0.00 54.79 54.06 1sui n ASP 202 Cb 0.07 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.00 1sui n ASP 202 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1sui n ALA 203 N 0.00 4.34 -0.89 2.12 0.00 -0.22 -5.07 120.51 120.80 1sui n ALA 203 Ca 0.00 -4.76 -0.33 0.00 0.00 0.00 0.00 53.44 48.36 1sui n ALA 203 Cb 0.00 -1.42 -0.03 0.00 0.00 0.00 0.00 19.45 18.00 1sui n ALA 203 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1sui n PRO 204 N 1.19 0.00 -4.57 0.00 -0.02 -1.26 -4.92 135.00 125.41 1sui n PRO 204 Ca 0.27 0.00 -0.26 0.00 -2.02 0.00 0.00 63.50 61.49 1sui n PRO 204 Cb 0.38 -0.75 -0.11 0.00 -0.02 0.00 0.00 33.50 33.00 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 1.03 2.71 0.51 2.45 1.02 -1.26 -5.11 118.68 120.03 1sui s LEU 205 Ca 0.47 -1.35 -0.21 0.00 0.02 0.00 0.00 54.13 53.06 1sui s LEU 205 Cb -0.67 -0.80 -0.08 0.00 0.02 0.00 0.00 46.19 44.67 1sui s LEU 205 CO 0.35 -0.45 1.01 0.54 0.02 0.00 0.00 176.35 177.81 1sui n ARG 206 N -0.88 1.19 -0.35 1.70 5.12 -1.26 -4.77 116.66 117.41 1sui n ARG 206 Ca -0.04 0.44 0.11 0.00 -1.93 0.00 0.00 57.85 56.42 1sui n ARG 206 Cb 0.66 -2.14 0.29 0.00 -1.16 0.00 0.00 32.46 30.11 1sui n ARG 206 CO 0.00 0.00 0.00 -0.22 -1.93 0.00 0.00 177.63 175.48 1sui h LYS 207 N 1.07 0.80 0.03 5.56 3.64 -1.99 -1.84 116.57 123.83 1sui h LYS 207 Ca -0.47 -0.05 -0.22 0.00 -1.27 0.00 0.00 60.65 58.64 1sui h LYS 207 Cb 1.35 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.98 1sui h LYS 207 CO 0.54 0.53 -0.98 0.10 -2.27 0.00 0.00 179.45 177.37 1sui h TYR 208 N 0.82 0.43 -0.15 1.91 -0.00 -1.99 -2.31 116.97 115.68 1sui h TYR 208 Ca 0.55 -0.25 -0.12 0.00 -0.00 0.00 0.00 58.73 58.90 1sui h TYR 208 Cb 0.76 -0.04 -0.01 0.00 -0.00 0.00 0.00 36.73 37.44 1sui h TYR 208 CO -0.01 1.10 -0.44 -0.24 -0.00 0.00 0.00 178.16 178.57 1sui h VAL 209 N 0.14 1.32 -0.64 -0.90 3.04 -1.85 -1.47 116.25 115.89 1sui h VAL 209 Ca -0.07 -1.62 -0.04 0.00 -1.01 0.00 0.00 66.70 63.96 1sui h VAL 209 Cb 1.64 1.70 -0.03 0.00 -2.01 0.00 0.00 31.29 32.59 1sui h VAL 209 CO 0.16 0.49 0.23 -0.09 -1.01 0.00 0.00 177.57 177.35 1sui h ARG 210 N 0.29 0.96 0.40 4.17 2.43 -1.31 -1.59 114.38 119.73 1sui h ARG 210 Ca 0.02 -0.17 -0.02 0.00 -0.81 0.00 0.00 59.98 59.00 1sui h ARG 210 Cb 0.90 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.29 1sui h ARG 210 CO 0.07 0.80 -0.19 -0.92 -1.51 0.00 0.00 179.97 178.23 1sui h TYR 211 N 0.94 -0.50 0.00 2.20 3.20 -0.96 -3.27 116.97 118.58 1sui h TYR 211 Ca 0.21 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.07 1sui h TYR 211 Cb 0.23 0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.66 1sui h TYR 211 CO 0.02 -0.17 0.00 0.66 -1.64 0.00 0.00 178.16 177.02 1sui n TYR 212 N -5.17 0.54 -0.28 -3.82 4.01 -0.59 -3.42 117.16 108.43 1sui n TYR 212 Ca -0.09 0.21 -0.06 0.00 -0.16 0.00 0.00 57.90 57.80 1sui n TYR 212 Cb 0.28 -0.84 0.06 0.00 -0.31 0.00 0.00 39.34 38.53 1sui n TYR 212 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 1sui h ARG 213 N 0.00 1.14 -0.71 -0.72 2.43 -1.34 -0.45 114.38 114.74 1sui h ARG 213 Ca 0.00 -0.21 -0.01 0.00 -0.81 0.00 0.00 59.98 58.94 1sui h ARG 213 Cb 0.32 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.65 1sui h ARG 213 CO 0.00 0.94 0.38 -0.44 -1.51 0.00 0.00 179.97 179.34 1sui h ASP 214 N 1.11 0.87 -0.11 -3.80 3.32 -1.72 -1.43 116.42 114.65 1sui h ASP 214 Ca 0.25 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.21 1sui h ASP 214 Cb 0.22 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 1sui h ASP 214 CO -0.02 0.71 -0.02 -0.26 -1.72 0.00 0.00 179.24 177.93 1sui h PHE 215 N 0.99 0.24 0.43 4.55 0.04 -1.59 -2.13 116.94 119.45 1sui h PHE 215 Ca 0.25 -0.05 -0.02 0.00 2.80 0.00 0.00 57.97 60.95 1sui h PHE 215 Cb 0.03 -0.06 -0.00 0.00 2.20 0.00 0.00 35.95 38.12 1sui h PHE 215 CO 0.01 0.51 -0.24 0.28 -0.60 0.00 0.00 178.31 178.27 1sui h VAL 216 N -0.10 0.51 -0.56 -0.55 2.07 -0.86 0.25 116.25 117.02 1sui h VAL 216 Ca 0.03 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.66 1sui h VAL 216 Cb 0.43 0.51 -0.10 0.00 -1.52 0.00 0.00 31.29 30.61 1sui h VAL 216 CO 0.01 0.00 -0.05 -0.07 0.02 0.00 0.00 177.57 177.48 1sui h LEU 217 N -0.62 -0.36 -0.38 2.57 3.38 -1.32 0.23 115.31 118.81 1sui h LEU 217 Ca -0.05 0.15 0.05 0.00 0.09 0.00 0.00 57.88 58.12 1sui h LEU 217 Cb 0.49 0.29 -0.05 0.00 0.09 0.00 0.00 40.66 41.48 1sui h LEU 217 CO 0.07 -0.13 0.10 -0.08 0.09 0.00 0.00 178.44 178.49 1sui h GLU 218 N 0.07 0.23 0.15 1.13 4.81 -1.06 -2.05 114.58 117.86 1sui h GLU 218 Ca 0.28 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.51 1sui h GLU 218 Cb 0.44 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 1sui h GLU 218 CO -0.52 0.15 -0.19 1.25 -0.73 0.00 0.00 179.01 178.97 1sui h LEU 219 N 0.24 -0.52 -0.50 1.64 7.12 0.12 -2.41 115.31 120.99 1sui h LEU 219 Ca 0.18 0.06 0.08 0.00 0.13 0.00 0.00 57.88 58.32 1sui h LEU 219 Cb 0.19 0.19 -0.06 0.00 -0.53 0.00 0.00 40.66 40.44 1sui h LEU 219 CO -0.21 -0.28 0.13 0.78 -0.13 0.00 0.00 178.44 178.72 1sui h ASN 220 N -0.40 0.07 -0.09 1.25 2.35 -0.26 -0.84 115.58 117.66 1sui h ASN 220 Ca 0.01 0.08 0.01 0.00 -0.55 0.00 0.00 56.30 55.85 1sui h ASN 220 Cb 0.39 0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.85 1sui h ASN 220 CO -0.07 0.06 0.04 0.11 -1.65 0.00 0.00 177.43 175.92 1sui h LYS 221 N 0.28 0.09 -0.51 0.81 1.57 -1.26 0.72 116.57 118.27 1sui h LYS 221 Ca 0.25 -0.01 0.05 0.00 -1.87 0.00 0.00 60.65 59.07 1sui h LYS 221 Cb 0.31 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.55 1sui h LYS 221 CO -0.30 0.06 0.24 0.00 -0.57 0.00 0.00 179.45 178.88 1sui h ALA 222 N 1.05 0.64 -0.52 3.86 0.00 -0.94 -2.39 119.26 120.97 1sui h ALA 222 Ca 0.04 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1sui h ALA 222 Cb 0.01 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1sui h ALA 222 CO -0.03 -0.13 0.25 -0.07 0.00 0.00 0.00 179.25 179.27 1sui h LEU 223 N 0.46 0.68 -1.48 0.00 4.07 -0.80 -1.98 115.31 116.26 1sui h LEU 223 Ca 0.23 -0.13 0.00 0.00 0.08 0.00 0.00 57.88 58.06 1sui h LEU 223 Cb 0.17 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 41.74 1sui h LEU 223 CO -0.18 0.62 0.00 0.00 -1.08 0.00 0.00 178.44 177.80 1sui h ALA 224 N 1.09 1.00 -0.18 1.53 0.00 -0.44 -2.77 119.26 119.48 1sui h ALA 224 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1sui h ALA 224 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1sui h ALA 224 CO -0.02 0.00 0.00 0.28 0.00 0.00 0.00 179.25 179.51 1sui n VAL 225 N -2.53 0.63 -2.78 0.00 0.31 -0.86 -4.98 118.33 108.13 1sui n VAL 225 Ca -0.00 -0.82 -0.43 0.00 -0.01 0.00 0.00 64.34 63.08 1sui n VAL 225 Cb 0.15 0.75 -0.03 0.00 -0.91 0.00 0.00 33.84 33.79 1sui n VAL 225 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1sui s ASP 226 N -0.91 6.69 0.54 4.52 -1.08 -0.80 -4.91 116.67 120.72 1sui s ASP 226 Ca 0.16 0.59 0.21 0.00 -0.52 0.00 0.00 52.55 52.99 1sui s ASP 226 Cb 0.09 -2.48 1.44 0.00 -1.46 0.00 0.00 42.92 40.51 1sui s ASP 226 CO 0.12 -0.89 2.17 -0.65 0.52 0.00 0.00 175.17 176.44 1sui h PRO 227 N 8.52 0.00 0.00 4.34 0.11 -1.92 -2.74 132.00 140.32 1sui h PRO 227 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 1sui h PRO 227 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1sui h PRO 227 CO 1.00 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 179.33 1sui n ARG 228 N -4.32 0.33 -4.49 1.05 1.74 -1.26 -4.89 116.66 104.82 1sui n ARG 228 Ca -0.02 0.05 -0.24 0.00 -0.77 0.00 0.00 57.85 56.87 1sui n ARG 228 Cb 0.12 -1.50 -0.09 0.00 -1.02 0.00 0.00 32.46 29.97 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 -2.60 0.86 -0.20 0.55 -4.36 -1.03 -0.92 121.20 113.50 1sui s ILE 229 Ca 0.23 -2.00 -0.07 0.00 -0.26 0.00 0.00 60.65 58.54 1sui s ILE 229 Cb 0.17 -2.54 -0.09 0.00 1.25 0.00 0.00 42.46 41.24 1sui s ILE 229 CO 0.38 0.00 -0.24 1.21 0.24 0.00 0.00 174.94 176.54 1sui n GLU 230 N -0.81 0.43 -1.61 0.37 4.07 0.04 -4.85 120.64 118.28 1sui n GLU 230 Ca -0.05 0.17 0.00 0.00 -0.06 0.00 0.00 57.16 57.22 1sui n GLU 230 Cb 0.66 -1.25 0.00 0.00 -0.06 0.00 0.00 31.44 30.79 1sui n GLU 230 CO 0.00 0.00 0.00 0.44 -0.06 0.00 0.00 177.13 177.51 1sui n ILE 231 N -3.70 -4.60 -3.68 6.31 -5.35 -1.19 -4.88 119.36 102.27 1sui n ILE 231 Ca -0.38 2.11 -0.10 0.00 -0.27 0.00 0.00 62.75 64.11 1sui n ILE 231 Cb 0.80 -2.90 -0.11 0.00 -1.74 0.00 0.00 39.64 35.69 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 2.10 3.43 -0.07 0.00 -1.94 -1.26 -0.11 119.30 121.45 1sui s MET 233 Ca -0.04 -1.93 -0.26 0.00 -1.71 0.00 0.00 55.69 51.74 1sui s MET 233 Cb -0.11 -4.52 -0.03 0.00 2.01 0.00 0.00 34.83 32.18 1sui s MET 233 CO -0.12 -1.50 0.82 -0.51 -0.01 0.00 0.00 175.02 173.70 1sui s LEU 234 N 1.61 4.30 0.00 -0.03 1.43 -0.43 -4.91 118.68 120.65 1sui s LEU 234 Ca 0.20 1.33 0.00 0.00 -1.03 0.00 0.00 54.13 54.63 1sui s LEU 234 Cb -0.13 -3.27 0.00 0.00 0.03 0.00 0.00 46.19 42.82 1sui s LEU 234 CO -0.05 -0.22 1.38 -0.81 0.23 0.00 0.00 176.35 176.88 1sui n PRO 235 N 4.12 0.98 -3.14 1.29 -0.04 -1.26 -1.93 135.00 135.01 1sui n PRO 235 Ca 0.02 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.13 1sui n PRO 235 Cb 0.51 -1.01 -0.06 0.00 -0.04 0.00 0.00 33.50 32.90 1sui n PRO 235 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1sui s VAL 236 N 0.03 4.63 0.00 0.52 -7.23 -1.26 -4.57 120.40 112.52 1sui s VAL 236 Ca 0.00 1.13 0.00 0.00 -1.81 0.00 0.00 61.98 61.30 1sui s VAL 236 Cb 0.00 -3.78 0.00 0.00 0.56 0.00 0.00 36.38 33.16 1sui s VAL 236 CO 0.00 0.11 0.00 0.61 -0.31 0.00 0.00 175.10 175.51 1sui n GLY 237 N 0.45 3.97 0.91 2.32 0.00 -1.26 -0.01 105.19 111.58 1sui n GLY 237 Ca -0.01 0.03 0.08 0.00 0.00 0.00 0.00 46.02 46.13 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 8.73 3.90 0.00 1.61 2.03 -1.26 -4.27 116.55 127.29 1sui n ASP 238 Ca 0.00 -2.95 0.00 0.00 0.52 0.00 0.00 54.79 52.36 1sui n ASP 238 Cb 0.00 -0.53 0.00 0.00 -0.72 0.00 0.00 41.12 39.87 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 -0.40 0.35 3.06 0.27 0.00 0.99 -1.97 105.19 107.49 1sui n GLY 239 Ca 0.21 -1.34 -0.24 0.00 0.00 0.00 0.00 46.02 44.65 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 -0.74 1.14 -0.38 -0.61 -1.09 -0.81 -0.25 121.20 118.45 1sui s ILE 240 Ca 0.00 -0.54 -0.12 0.00 -2.23 0.00 0.00 60.65 57.76 1sui s ILE 240 Cb 0.00 -1.00 0.03 0.00 -1.58 0.00 0.00 42.46 39.91 1sui s ILE 240 CO 0.00 0.34 0.22 -0.89 -1.23 0.00 0.00 174.94 173.38 1sui s THR 241 N 0.21 4.67 -0.26 2.92 2.01 0.23 -1.31 115.64 124.11 1sui s THR 241 Ca -0.05 -0.83 -0.23 0.00 0.31 0.00 0.00 61.69 60.88 1sui s THR 241 Cb -0.11 -3.61 -0.01 0.00 0.01 0.00 0.00 72.50 68.78 1sui s THR 241 CO 0.02 -0.25 0.77 -0.63 -0.69 0.00 0.00 174.62 173.84 1sui s ILE 242 N 1.57 4.87 -0.19 1.82 1.09 0.85 -2.16 121.20 129.04 1sui s ILE 242 Ca 0.02 1.37 -0.04 0.00 -1.10 0.00 0.00 60.65 60.90 1sui s ILE 242 Cb -0.19 -4.07 -0.02 0.00 -1.06 0.00 0.00 42.46 37.12 1sui s ILE 242 CO 0.07 -0.09 -0.04 0.00 -0.10 0.00 0.00 174.94 174.79 1sui s ARG 244 N 1.03 3.79 0.11 0.00 3.52 -1.26 -0.69 118.95 125.45 1sui s ARG 244 Ca 0.01 -0.41 -0.30 0.00 -0.13 0.00 0.00 55.73 54.89 1sui s ARG 244 Cb -0.15 -3.36 -0.06 0.00 -1.56 0.00 0.00 34.95 29.83 1sui s ARG 244 CO 0.00 -0.06 1.11 0.50 -0.81 0.00 0.00 175.30 176.04 1sui s ARG 245 N 1.31 4.54 -0.00 5.12 3.52 -1.26 -0.78 118.95 131.39 1sui s ARG 245 Ca 0.05 1.67 0.10 0.00 -0.13 0.00 0.00 55.73 57.43 1sui s ARG 245 Cb -0.15 -3.34 -0.12 0.00 -1.56 0.00 0.00 34.95 29.79 1sui s ARG 245 CO 0.04 -0.05 0.39 0.44 -0.81 0.00 0.00 175.30 175.31 1sui n ILE 246 N 3.17 0.00 0.00 4.11 -5.35 -0.09 -4.46 119.36 116.74 1sui n ILE 246 Ca 0.05 -0.26 0.00 0.00 -0.27 0.00 0.00 62.75 62.28 1sui n ILE 246 Cb 0.47 0.85 0.00 0.00 -1.74 0.00 0.00 39.64 39.22 1sui n ILE 246 CO 0.00 0.00 0.00 2.29 -1.76 0.00 0.00 176.55 177.08