#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ias n PRO 27 N 0.00 0.79 -0.07 2.98 -0.02 -1.26 -2.42 135.00 135.00 3ias n PRO 27 Ca 0.00 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.38 3ias n PRO 27 Cb 0.00 -1.03 -0.15 0.00 -0.02 0.00 0.00 33.50 32.30 3ias n PRO 27 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3ias n ASP 28 N -0.46 0.34 -4.09 2.55 8.00 -1.26 -4.84 116.55 116.79 3ias n ASP 28 Ca 0.00 0.14 -0.32 0.00 0.71 0.00 0.00 54.79 55.32 3ias n ASP 28 Cb 0.01 0.61 -0.15 0.00 -0.02 0.00 0.00 41.12 41.57 3ias n ASP 28 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ias s ALA 29 N -2.53 2.55 0.42 2.24 0.00 -1.02 -5.11 121.76 118.32 3ias s ALA 29 Ca -0.09 -1.68 -0.22 0.00 0.00 0.00 0.00 51.96 49.97 3ias s ALA 29 Cb 0.07 -1.56 -0.14 0.00 0.00 0.00 0.00 23.12 21.49 3ias s ALA 29 CO 0.82 -1.07 0.38 -0.35 0.00 0.00 0.00 175.76 175.54 3ias n PRO 30 N 4.48 0.35 -2.94 0.00 -0.04 -1.26 -4.89 135.00 130.69 3ias n PRO 30 Ca -0.15 0.13 -0.38 0.00 -0.04 0.00 0.00 63.50 63.06 3ias n PRO 30 Cb 0.43 -1.32 -0.06 0.00 -0.04 0.00 0.00 33.50 32.51 3ias n PRO 30 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3ias s VAL 31 N -1.55 4.36 -0.48 0.52 1.01 -0.65 -4.77 120.40 118.86 3ias s VAL 31 Ca 0.62 1.63 -0.13 0.00 0.00 0.00 0.00 61.98 64.11 3ias s VAL 31 Cb -0.61 -4.03 0.10 0.00 0.00 0.00 0.00 36.38 31.84 3ias s VAL 31 CO 0.60 0.31 0.38 0.00 0.00 0.00 0.00 175.10 176.38 3ias s ALA 32 N -1.41 3.48 0.44 5.51 0.00 -1.26 0.31 121.76 128.83 3ias s ALA 32 Ca 0.43 -2.33 -0.03 0.00 0.00 0.00 0.00 51.96 50.03 3ias s ALA 32 Cb -0.20 -2.97 -0.03 0.00 0.00 0.00 0.00 23.12 19.92 3ias s ALA 32 CO 0.24 -1.82 0.71 -0.51 0.00 0.00 0.00 175.76 174.38 3ias s LEU 33 N 1.52 3.74 0.79 0.00 1.02 -0.65 -4.97 118.68 120.13 3ias s LEU 33 Ca 0.04 0.77 -0.11 0.00 0.02 0.00 0.00 54.13 54.84 3ias s LEU 33 Cb -0.26 -3.69 0.07 0.00 0.02 0.00 0.00 46.19 42.33 3ias s LEU 33 CO 0.03 -0.50 1.09 -0.54 0.02 0.00 0.00 176.35 176.45 3ias s LYS 34 N -4.61 2.13 0.34 1.70 -0.14 -1.26 -4.37 119.74 113.53 3ias s LYS 34 Ca 0.45 0.70 0.03 0.00 -1.36 0.00 0.00 55.97 55.79 3ias s LYS 34 Cb -0.10 -1.92 0.62 0.00 -1.68 0.00 0.00 37.83 34.75 3ias s LYS 34 CO 0.42 -1.60 1.97 -1.00 -0.76 0.00 0.00 175.35 174.38 3ias h PRO 35 N -1.08 0.75 -0.07 -1.68 0.13 -1.98 -2.85 132.00 125.23 3ias h PRO 35 Ca -0.47 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 3ias h PRO 35 Cb 1.26 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3ias h PRO 35 CO 0.58 0.56 0.00 -2.13 -0.23 0.00 0.00 178.00 176.78 3ias n ARG 36 N -4.39 1.35 -1.60 0.86 3.00 -1.26 -4.63 116.66 109.99 3ias n ARG 36 Ca 0.05 -0.52 -0.38 0.00 -0.00 0.00 0.00 57.85 56.99 3ias n ARG 36 Cb 0.10 -1.37 0.05 0.00 0.00 0.00 0.00 32.46 31.24 3ias n ARG 36 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 3ias n PHE 37 N -0.28 0.68 -3.13 -0.14 7.35 -1.08 -4.94 117.46 115.93 3ias n PHE 37 Ca 0.16 0.45 -0.45 0.00 -0.76 0.00 0.00 57.45 56.85 3ias n PHE 37 Cb 0.20 -2.13 -0.03 0.00 0.35 0.00 0.00 39.48 37.88 3ias n PHE 37 CO 0.00 0.00 0.00 -1.01 -0.76 0.00 0.00 176.76 174.99 3ias s HIS 38 N -1.51 3.40 0.54 -5.13 3.76 -1.26 -4.70 115.29 110.38 3ias s HIS 38 Ca 0.73 -1.62 0.01 0.00 -0.15 0.00 0.00 55.06 54.04 3ias s HIS 38 Cb -0.44 -4.04 0.01 0.00 1.11 0.00 0.00 32.58 29.22 3ias s HIS 38 CO 0.49 -1.24 0.12 0.41 -0.85 0.00 0.00 174.74 173.67 3ias n GLY 39 N 4.78 3.32 3.08 -2.22 0.00 -0.26 -4.96 105.19 108.94 3ias n GLY 39 Ca 0.16 -2.36 -0.52 0.00 0.00 0.00 0.00 46.02 43.30 3ias n GLY 39 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3ias n ARG 40 N -1.45 0.00 -1.71 1.61 0.63 -0.46 -1.66 116.66 113.62 3ias n ARG 40 Ca -0.16 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.35 3ias n ARG 40 Cb 0.66 -1.31 0.00 0.00 0.45 0.00 0.00 32.46 32.26 3ias n ARG 40 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 3ias n HIS 41 N 1.45 2.35 -5.10 -0.14 8.25 -1.26 -0.68 115.22 120.10 3ias n HIS 41 Ca 0.18 0.52 -0.28 0.00 -0.26 0.00 0.00 57.72 57.88 3ias n HIS 41 Cb 0.06 -2.42 -0.16 0.00 1.12 0.00 0.00 29.99 28.59 3ias n HIS 41 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 3ias s VAL 42 N -1.13 1.76 -0.23 1.59 -7.23 0.12 -4.70 120.40 110.58 3ias s VAL 42 Ca 0.57 -0.94 -0.13 0.00 -1.81 0.00 0.00 61.98 59.67 3ias s VAL 42 Cb -0.53 -1.47 -0.05 0.00 0.56 0.00 0.00 36.38 34.90 3ias s VAL 42 CO 0.61 0.50 0.26 -0.76 -0.31 0.00 0.00 175.10 175.40 3ias s LEU 43 N -0.45 4.12 0.35 1.32 1.43 0.66 -1.64 118.68 124.47 3ias s LEU 43 Ca 0.06 0.26 0.03 0.00 -1.03 0.00 0.00 54.13 53.46 3ias s LEU 43 Cb -0.09 -2.27 -0.01 0.00 0.03 0.00 0.00 46.19 43.84 3ias s LEU 43 CO -0.00 -0.00 0.52 0.42 0.23 0.00 0.00 176.35 177.52 3ias s THR 44 N 1.23 4.44 0.25 5.49 -4.23 0.01 -1.27 115.64 121.56 3ias s THR 44 Ca 0.12 -0.76 0.11 0.00 -1.18 0.00 0.00 61.69 59.98 3ias s THR 44 Cb -0.14 -3.59 -0.05 0.00 1.34 0.00 0.00 72.50 70.06 3ias s THR 44 CO 0.06 -0.31 -0.19 -0.13 -0.54 0.00 0.00 174.62 173.51 3ias s ARG 45 N -4.28 1.57 0.81 3.99 0.52 -1.26 -1.34 118.95 118.97 3ias s ARG 45 Ca 0.43 -1.69 -0.12 0.00 -0.52 0.00 0.00 55.73 53.83 3ias s ARG 45 Cb -0.10 -1.63 0.08 0.00 0.52 0.00 0.00 34.95 33.82 3ias s ARG 45 CO 0.34 0.31 1.16 -1.01 0.02 0.00 0.00 175.30 176.11 3ias s HIS 46 N -2.48 2.92 0.14 -0.53 3.76 -0.40 -4.82 115.29 113.88 3ias s HIS 46 Ca 0.27 0.81 0.34 0.00 -0.15 0.00 0.00 55.06 56.33 3ias s HIS 46 Cb -0.05 -3.42 1.55 0.00 1.11 0.00 0.00 32.58 31.77 3ias s HIS 46 CO 0.12 -1.81 2.02 -1.35 -0.85 0.00 0.00 174.74 172.88 3ias h PRO 47 N -1.09 0.00 0.00 8.40 0.11 -1.98 -2.34 132.00 135.10 3ias h PRO 47 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3ias h PRO 47 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 3ias h PRO 47 CO 0.65 0.00 0.00 -0.91 -0.21 0.00 0.00 178.00 177.53 3ias h ASN 48 N 0.00 0.00 0.00 -2.05 4.21 -2.04 -3.45 115.58 112.25 3ias h ASN 48 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 3ias h ASN 48 Cb 0.36 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.56 3ias h ASN 48 CO 0.00 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 176.75 3ias n GLY 49 N -0.75 1.19 3.77 2.83 0.00 -0.88 -5.06 105.19 106.29 3ias n GLY 49 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3ias n GLY 49 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ias s LEU 50 N 0.00 3.96 0.15 0.99 2.01 -1.26 -4.83 118.68 119.71 3ias s LEU 50 Ca 0.00 2.42 -0.30 0.00 0.01 0.00 0.00 54.13 56.25 3ias s LEU 50 Cb 0.00 -4.26 -0.07 0.00 0.01 0.00 0.00 46.19 41.87 3ias s LEU 50 CO 0.00 -1.09 1.20 -1.61 1.01 0.00 0.00 176.35 175.87 3ias s GLU 51 N -2.76 4.47 0.49 1.70 2.02 0.86 -1.28 118.70 124.20 3ias s GLU 51 Ca 0.66 1.85 0.23 0.00 0.02 0.00 0.00 54.97 57.73 3ias s GLU 51 Cb -0.31 -3.27 1.27 0.00 0.10 0.00 0.00 34.13 31.92 3ias s GLU 51 CO 0.38 -0.14 2.03 0.87 0.02 0.00 0.00 175.26 178.41 3ias h LYS 52 N 5.73 0.00 -6.30 1.61 1.57 -1.53 -3.40 116.57 114.25 3ias h LYS 52 Ca -0.44 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 57.79 3ias h LYS 52 Cb 1.21 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.50 3ias h LYS 52 CO 0.77 0.16 0.63 0.00 -0.57 0.00 0.00 179.45 180.44 3ias n ILE 54 N 4.54 2.77 -3.78 0.00 -5.35 -1.26 -4.29 119.36 111.99 3ias n ILE 54 Ca 0.10 -2.34 -0.25 0.00 -0.27 0.00 0.00 62.75 59.99 3ias n ILE 54 Cb 0.47 -0.36 0.02 0.00 -1.74 0.00 0.00 39.64 38.03 3ias n ILE 54 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ias n GLY 55 N -1.00 -0.43 0.06 3.28 0.00 -1.26 -4.07 105.19 101.76 3ias n GLY 55 Ca 0.41 0.21 -0.00 0.00 0.00 0.00 0.00 46.02 46.64 3ias n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ias n SER 57 N -2.55 -3.61 -0.08 0.00 2.88 -1.26 -4.93 113.62 104.07 3ias n SER 57 Ca -0.19 0.04 -0.11 0.00 -1.33 0.00 0.00 58.87 57.29 3ias n SER 57 Cb 0.88 -1.25 -0.04 0.00 -0.75 0.00 0.00 64.21 63.05 3ias n SER 57 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 3ias h LEU 58 N 0.00 0.38 -0.41 2.46 4.07 -1.95 -2.11 115.31 117.74 3ias h LEU 58 Ca -0.03 -0.25 0.09 0.00 0.08 0.00 0.00 57.88 57.76 3ias h LEU 58 Cb 0.24 -0.10 -0.08 0.00 1.08 0.00 0.00 40.66 41.80 3ias h LEU 58 CO 0.05 0.53 -0.15 0.00 -1.08 0.00 0.00 178.44 177.79 3ias h ALA 60 N 1.29 1.41 0.00 0.00 0.00 -1.87 -1.71 119.26 118.38 3ias h ALA 60 Ca 0.20 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3ias h ALA 60 Cb 0.37 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3ias h ALA 60 CO -0.46 0.54 0.00 0.00 0.00 0.00 0.00 179.25 179.33 3ias h ALA 61 N 1.48 1.00 -0.02 0.00 0.00 -0.22 -2.49 119.26 119.02 3ias h ALA 61 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3ias h ALA 61 Cb -0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3ias h ALA 61 CO -0.07 0.00 -0.30 0.00 0.00 0.00 0.00 179.25 178.88 3ias n ALA 62 N -2.06 3.16 -2.48 0.00 0.00 -0.66 -4.94 120.51 113.52 3ias n ALA 62 Ca 0.00 -0.64 -0.42 0.00 0.00 0.00 0.00 53.44 52.38 3ias n ALA 62 Cb 0.27 -0.82 -0.03 0.00 0.00 0.00 0.00 19.45 18.87 3ias n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ias n PRO 64 N 4.18 0.14 -0.02 0.00 -0.04 -1.26 -3.54 135.00 134.45 3ias n PRO 64 Ca 0.09 0.18 0.03 0.00 -0.04 0.00 0.00 63.50 63.76 3ias n PRO 64 Cb 0.47 -1.69 0.04 0.00 -0.04 0.00 0.00 33.50 32.28 3ias n PRO 64 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ias n ALA 65 N -1.66 2.04 -3.93 0.55 0.00 -1.26 -5.00 120.51 111.25 3ias n ALA 65 Ca 0.05 -1.41 -0.26 0.00 0.00 0.00 0.00 53.44 51.82 3ias n ALA 65 Cb 0.34 -0.11 -0.01 0.00 0.00 0.00 0.00 19.45 19.68 3ias n ALA 65 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3ias n TYR 66 N -0.72 -1.67 0.92 0.00 4.01 -1.23 -4.86 117.16 113.60 3ias n TYR 66 Ca 0.04 0.70 0.11 0.00 -0.16 0.00 0.00 57.90 58.59 3ias n TYR 66 Cb 0.37 -3.69 0.09 0.00 -0.31 0.00 0.00 39.34 35.80 3ias n TYR 66 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3ias n ALA 67 N -4.39 2.46 -2.78 -0.72 0.00 -1.26 -4.92 120.51 108.90 3ias n ALA 67 Ca -0.29 -0.68 -0.29 0.00 0.00 0.00 0.00 53.44 52.18 3ias n ALA 67 Cb 0.67 -0.75 -0.16 0.00 0.00 0.00 0.00 19.45 19.21 3ias n ALA 67 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3ias s ILE 68 N -1.86 1.77 -0.11 0.00 1.01 -1.26 -1.35 121.20 119.41 3ias s ILE 68 Ca 0.26 -0.91 0.03 0.00 0.00 0.00 0.00 60.65 60.03 3ias s ILE 68 Cb 0.19 -1.50 0.01 0.00 0.01 0.00 0.00 42.46 41.16 3ias s ILE 68 CO 0.28 0.50 -0.20 -0.47 0.00 0.00 0.00 174.94 175.05 3ias s TYR 69 N -0.11 2.30 -0.11 3.97 6.14 -0.66 -4.84 117.35 124.04 3ias s TYR 69 Ca -0.03 -1.03 0.01 0.00 0.64 0.00 0.00 57.07 56.67 3ias s TYR 69 Cb -0.12 -1.58 0.02 0.00 0.42 0.00 0.00 41.96 40.69 3ias s TYR 69 CO 0.03 -0.46 -0.13 0.08 0.64 0.00 0.00 175.55 175.70 3ias s VAL 70 N 0.65 1.37 -0.24 3.14 1.01 -1.26 -1.48 120.40 123.59 3ias s VAL 70 Ca -0.13 -0.56 -0.08 0.00 0.00 0.00 0.00 61.98 61.22 3ias s VAL 70 Cb -0.16 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 34.91 3ias s VAL 70 CO 0.03 0.42 0.09 -1.61 0.00 0.00 0.00 175.10 174.02 3ias s GLU 71 N 1.10 3.75 0.64 2.72 2.02 0.05 -4.98 118.70 123.99 3ias s GLU 71 Ca -0.05 -0.43 -0.02 0.00 0.02 0.00 0.00 54.97 54.49 3ias s GLU 71 Cb -0.14 -3.36 0.06 0.00 0.10 0.00 0.00 34.13 30.79 3ias s GLU 71 CO -0.03 -0.11 0.90 -1.25 0.02 0.00 0.00 175.26 174.79 3ias s PRO 72 N 1.44 2.25 0.17 0.39 0.04 -1.26 -0.77 135.00 137.26 3ias s PRO 72 Ca 0.06 -0.66 -0.23 0.00 0.04 0.00 0.00 61.00 60.20 3ias s PRO 72 Cb -0.15 -2.35 0.06 0.00 0.04 0.00 0.00 34.50 32.11 3ias s PRO 72 CO 0.04 -1.04 0.64 0.00 0.04 0.00 0.00 177.00 176.69 3ias s ALA 73 N -3.00 -1.56 0.09 8.56 0.00 0.54 -4.51 121.76 121.88 3ias s ALA 73 Ca 0.60 0.40 -0.27 0.00 0.00 0.00 0.00 51.96 52.69 3ias s ALA 73 Cb -0.10 0.85 -0.06 0.00 0.00 0.00 0.00 23.12 23.82 3ias s ALA 73 CO 0.42 -0.81 0.84 -2.00 0.00 0.00 0.00 175.76 174.20 3ias s GLU 74 N -3.73 4.58 0.85 0.00 2.12 -1.26 -1.22 118.70 120.04 3ias s GLU 74 Ca 0.03 1.22 -0.11 0.00 0.36 0.00 0.00 54.97 56.47 3ias s GLU 74 Cb -0.02 -3.35 0.10 0.00 0.26 0.00 0.00 34.13 31.12 3ias s GLU 74 CO -0.10 0.30 1.13 -0.80 -0.54 0.00 0.00 175.26 175.26 3ias s ASN 75 N -0.21 3.63 -0.36 -1.70 0.01 -0.24 -4.87 114.94 111.19 3ias s ASN 75 Ca 0.41 2.05 -0.08 0.00 -0.71 0.00 0.00 52.86 54.54 3ias s ASN 75 Cb -0.22 -2.55 0.05 0.00 0.41 0.00 0.00 41.25 38.94 3ias s ASN 75 CO 0.26 -2.63 0.16 -0.62 -1.51 0.00 0.00 177.10 172.76 3ias s ASP 76 N -2.92 5.46 0.55 -1.22 -1.08 -1.25 -4.98 116.67 111.22 3ias s ASP 76 Ca 0.65 -1.20 0.29 0.00 -0.52 0.00 0.00 52.55 51.77 3ias s ASP 76 Cb -0.21 -1.92 1.46 0.00 -1.46 0.00 0.00 42.92 40.79 3ias s ASP 76 CO 0.56 -0.38 1.92 -0.65 0.52 0.00 0.00 175.17 177.14 3ias h PRO 77 N 8.29 0.00 0.21 4.34 0.11 -1.98 -0.56 132.00 142.42 3ias h PRO 77 Ca -0.23 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.87 3ias h PRO 77 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3ias h PRO 77 CO 0.65 0.00 -0.10 1.49 -0.21 0.00 0.00 178.00 179.82 3ias h GLU 78 N 0.00 -0.27 -3.50 1.05 4.57 -2.04 -3.40 114.58 110.98 3ias h GLU 78 Ca 0.31 0.02 -0.69 0.00 -1.18 0.00 0.00 59.36 57.81 3ias h GLU 78 Cb 1.36 0.06 -0.36 0.00 -0.16 0.00 0.00 28.75 29.65 3ias h GLU 78 CO -0.00 0.05 -0.33 1.21 -1.18 0.00 0.00 179.01 178.75 3ias s ASN 79 N -5.34 5.32 1.16 1.04 2.47 -0.26 -5.10 114.94 114.22 3ias s ASN 79 Ca -0.10 -3.04 -0.12 0.00 0.42 0.00 0.00 52.86 50.03 3ias s ASN 79 Cb 0.00 -1.85 0.17 0.00 -1.45 0.00 0.00 41.25 38.12 3ias s ASN 79 CO 0.35 -0.33 0.58 -0.81 -3.72 0.00 0.00 177.10 173.18 3ias n PRO 80 N 3.23 -2.39 0.00 0.43 -0.04 -0.93 -3.95 135.00 131.35 3ias n PRO 80 Ca 0.10 -0.94 0.00 0.00 -0.04 0.00 0.00 63.50 62.63 3ias n PRO 80 Cb 0.37 -0.92 0.00 0.00 -0.04 0.00 0.00 33.50 32.92 3ias n PRO 80 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3ias n VAL 81 N -3.91 0.00 -4.47 0.52 0.31 -1.26 -4.88 118.33 104.64 3ias n VAL 81 Ca 0.08 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 64.18 3ias n VAL 81 Cb 0.32 -0.23 -0.09 0.00 -0.91 0.00 0.00 33.84 32.94 3ias n VAL 81 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3ias s SER 82 N -3.46 2.49 0.06 4.52 1.04 -1.26 -0.10 113.70 117.00 3ias s SER 82 Ca 0.00 -1.61 -0.09 0.00 0.48 0.00 0.00 55.95 54.74 3ias s SER 82 Cb 0.00 0.39 -0.30 0.00 0.10 0.00 0.00 66.02 66.22 3ias s SER 82 CO 0.00 -0.88 1.10 0.00 0.98 0.00 0.00 173.24 174.45 3ias h ALA 83 N 1.92 0.02 -3.00 5.32 0.00 -1.87 -3.47 119.26 118.18 3ias h ALA 83 Ca -0.36 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 53.69 3ias h ALA 83 Cb 1.26 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3ias h ALA 83 CO 0.58 0.86 0.00 0.41 0.00 0.00 0.00 179.25 181.10 3ias n GLY 84 N 1.55 -3.20 0.21 0.00 0.00 -1.26 -4.88 105.19 97.61 3ias n GLY 84 Ca -0.11 -1.29 0.14 0.00 0.00 0.00 0.00 46.02 44.76 3ias n GLY 84 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3ias n GLU 85 N -1.29 0.98 -4.26 1.61 0.28 -1.26 -4.83 120.64 111.87 3ias n GLU 85 Ca 0.00 -0.42 -0.18 0.00 -0.16 0.00 0.00 57.16 56.40 3ias n GLU 85 Cb 0.00 -1.49 -0.15 0.00 1.43 0.00 0.00 31.44 31.23 3ias n GLU 85 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 3ias s ARG 86 N -2.31 0.64 0.21 3.44 3.52 -1.26 -1.08 118.95 122.11 3ias s ARG 86 Ca 0.33 -0.24 -0.00 0.00 -0.13 0.00 0.00 55.73 55.69 3ias s ARG 86 Cb 0.20 -0.62 -0.04 0.00 -1.56 0.00 0.00 34.95 32.93 3ias s ARG 86 CO 0.44 0.12 0.11 1.52 -0.81 0.00 0.00 175.30 176.67 3ias s TYR 87 N 0.01 1.28 -0.62 5.12 -0.85 -0.36 -4.36 117.35 117.58 3ias s TYR 87 Ca 0.00 -1.28 -0.21 0.00 -0.52 0.00 0.00 57.07 55.06 3ias s TYR 87 Cb -0.05 -0.68 0.08 0.00 0.38 0.00 0.00 41.96 41.69 3ias s TYR 87 CO -0.00 -0.50 0.83 0.00 -1.52 0.00 0.00 175.55 174.36 3ias s ALA 88 N -3.98 3.26 0.05 9.51 0.00 -1.26 -0.34 121.76 129.00 3ias s ALA 88 Ca 0.37 -2.00 -0.25 0.00 0.00 0.00 0.00 51.96 50.08 3ias s ALA 88 Cb 0.07 -3.69 -0.17 0.00 0.00 0.00 0.00 23.12 19.34 3ias s ALA 88 CO 0.11 -2.54 1.57 -0.22 0.00 0.00 0.00 175.76 174.68 3ias h LYS 89 N 9.37 -0.11 -5.10 0.00 3.64 -1.18 -3.42 116.57 119.77 3ias h LYS 89 Ca -0.29 0.01 -0.64 0.00 -1.27 0.00 0.00 60.65 58.46 3ias h LYS 89 Cb 1.08 0.02 -0.34 0.00 -0.41 0.00 0.00 32.23 32.59 3ias h LYS 89 CO 1.13 0.07 -0.86 0.08 -2.27 0.00 0.00 179.45 177.60 3ias s VAL 90 N -5.56 1.84 -0.24 2.00 1.01 -0.29 -4.99 120.40 114.17 3ias s VAL 90 Ca -0.14 -0.87 -0.03 0.00 0.00 0.00 0.00 61.98 60.94 3ias s VAL 90 Cb 0.04 -1.62 0.08 0.00 0.00 0.00 0.00 36.38 34.88 3ias s VAL 90 CO 0.65 0.51 0.07 -0.47 0.00 0.00 0.00 175.10 175.86 3ias s TYR 91 N 0.60 1.02 -0.02 5.22 5.04 -1.26 -0.77 117.35 127.17 3ias s TYR 91 Ca -0.14 -1.05 0.06 0.00 -2.44 0.00 0.00 57.07 53.50 3ias s TYR 91 Cb -0.17 -1.16 -0.01 0.00 0.35 0.00 0.00 41.96 40.97 3ias s TYR 91 CO 0.04 -0.71 -0.20 -1.21 -1.34 0.00 0.00 175.55 172.13 3ias s GLU 92 N 1.86 1.71 -0.16 4.97 2.02 -0.55 -2.71 118.70 125.83 3ias s GLU 92 Ca 0.04 -0.72 0.00 0.00 0.02 0.00 0.00 54.97 54.31 3ias s GLU 92 Cb -0.17 -1.61 0.03 0.00 0.10 0.00 0.00 34.13 32.49 3ias s GLU 92 CO -0.18 0.41 -0.09 0.42 0.02 0.00 0.00 175.26 175.83 3ias s ILE 93 N -0.39 1.37 -1.09 -1.63 1.01 -0.73 -1.66 121.20 118.09 3ias s ILE 93 Ca 0.06 -0.68 -0.22 0.00 0.00 0.00 0.00 60.65 59.80 3ias s ILE 93 Cb -0.09 -1.42 0.00 0.00 0.01 0.00 0.00 42.46 40.97 3ias s ILE 93 CO -0.00 0.27 1.74 0.21 0.00 0.00 0.00 174.94 177.16 3ias s ASN 94 N 1.54 5.96 0.00 3.58 3.84 -0.45 -1.12 114.94 128.28 3ias s ASN 94 Ca 0.02 -1.55 0.00 0.00 0.21 0.00 0.00 52.86 51.54 3ias s ASN 94 Cb -0.14 -2.57 0.00 0.00 -0.55 0.00 0.00 41.25 37.98 3ias s ASN 94 CO -0.09 -2.05 0.73 0.23 -2.79 0.00 0.00 177.10 173.14 3ias n MET 95 N 8.64 0.00 -0.06 0.43 2.81 -1.02 -0.66 117.12 127.26 3ias n MET 95 Ca 0.41 0.27 -0.19 0.00 -1.81 0.00 0.00 57.70 56.37 3ias n MET 95 Cb 0.48 -1.57 -0.13 0.00 -0.71 0.00 0.00 33.22 31.29 3ias n MET 95 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 3ias h LEU 96 N 0.00 0.11 -1.21 4.03 3.38 -1.88 -3.35 115.31 116.38 3ias h LEU 96 Ca 0.00 -0.75 -0.06 0.00 0.09 0.00 0.00 57.88 57.16 3ias h LEU 96 Cb 0.14 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3ias h LEU 96 CO 0.00 1.38 -0.07 0.03 0.09 0.00 0.00 178.44 179.88 3ias h ARG 97 N -0.79 0.46 -6.58 1.13 -0.00 -1.27 -3.44 114.38 103.87 3ias h ARG 97 Ca -0.23 -0.11 -0.55 0.00 -0.50 0.00 0.00 59.98 58.59 3ias h ARG 97 Cb 1.35 -0.06 0.06 0.00 0.00 0.00 0.00 29.97 31.32 3ias h ARG 97 CO -0.07 0.54 0.95 0.00 0.00 0.00 0.00 179.97 181.39 3ias n ILE 99 N 3.87 0.00 -3.12 0.00 0.13 -1.26 -4.98 119.36 113.99 3ias n ILE 99 Ca 0.17 -0.12 -0.02 0.00 -1.10 0.00 0.00 62.75 61.67 3ias n ILE 99 Cb 0.33 1.09 0.00 0.00 -0.84 0.00 0.00 39.64 40.21 3ias n ILE 99 CO 0.00 0.00 0.00 0.49 2.80 0.00 0.00 176.55 179.84 3ias n PHE 100 N -0.79 -2.91 -0.11 9.51 3.01 -1.26 -4.97 117.46 119.93 3ias n PHE 100 Ca 0.07 1.12 -0.13 0.00 1.01 0.00 0.00 57.45 59.51 3ias n PHE 100 Cb 0.40 -4.00 -0.14 0.00 -0.01 0.00 0.00 39.48 35.72 3ias n PHE 100 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3ias n GLY 102 N 1.97 0.01 0.13 0.00 0.00 -1.26 -4.90 105.19 101.14 3ias n GLY 102 Ca -0.39 -0.32 -0.07 0.00 0.00 0.00 0.00 46.02 45.24 3ias n GLY 102 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3ias h LEU 103 N -0.59 0.21 -0.16 0.99 3.38 -1.94 -3.06 115.31 114.15 3ias h LEU 103 Ca -0.28 -0.16 -0.08 0.00 0.09 0.00 0.00 57.88 57.44 3ias h LEU 103 Cb 1.20 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.88 3ias h LEU 103 CO 0.31 0.95 -0.22 0.00 0.09 0.00 0.00 178.44 179.56 3ias h GLU 105 N 0.07 0.33 0.03 0.00 4.81 -1.75 -1.95 114.58 116.13 3ias h GLU 105 Ca 0.02 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3ias h GLU 105 Cb 0.79 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.09 3ias h GLU 105 CO 0.05 0.22 -0.02 1.49 -0.73 0.00 0.00 179.01 180.02 3ias h GLU 106 N 0.34 -0.04 -0.20 1.92 4.81 -1.27 -3.28 114.58 116.86 3ias h GLU 106 Ca 0.24 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.38 3ias h GLU 106 Cb 0.48 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 3ias h GLU 106 CO -0.06 0.51 -0.28 0.00 -0.73 0.00 0.00 179.01 178.46 3ias h ALA 107 N 0.30 1.16 -1.59 2.92 0.00 -0.66 -3.45 119.26 117.93 3ias h ALA 107 Ca -0.00 -0.34 -0.69 0.00 0.00 0.00 0.00 54.91 53.87 3ias h ALA 107 Cb 0.57 -0.11 0.06 0.00 0.00 0.00 0.00 17.79 18.31 3ias h ALA 107 CO 0.01 0.54 0.37 0.00 0.00 0.00 0.00 179.25 180.17 3ias n PRO 109 N 2.28 2.46 0.00 0.00 -0.04 -1.26 -4.20 135.00 134.24 3ias n PRO 109 Ca 0.18 -2.23 0.00 0.00 -0.04 0.00 0.00 63.50 61.42 3ias n PRO 109 Cb 0.18 -1.51 0.00 0.00 -0.04 0.00 0.00 33.50 32.13 3ias n PRO 109 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3ias n THR 110 N 1.39 0.00 -1.77 0.52 -2.24 -1.26 -5.01 114.28 105.90 3ias n THR 110 Ca 0.20 -0.12 -0.03 0.00 -2.27 0.00 0.00 64.05 61.84 3ias n THR 110 Cb 0.57 0.60 -0.00 0.00 -2.10 0.00 0.00 70.33 69.39 3ias n THR 110 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ias n GLY 111 N 1.95 0.35 0.22 3.38 0.00 -1.26 -4.96 105.19 104.87 3ias n GLY 111 Ca 0.00 -0.83 -0.09 0.00 0.00 0.00 0.00 46.02 45.10 3ias n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ias h ALA 112 N 0.09 -0.47 -2.31 4.61 0.00 -1.89 -3.43 119.26 115.86 3ias h ALA 112 Ca -0.06 -0.14 -0.59 0.00 0.00 0.00 0.00 54.91 54.12 3ias h ALA 112 Cb 0.80 0.18 -0.08 0.00 0.00 0.00 0.00 17.79 18.69 3ias h ALA 112 CO 0.08 -0.46 0.46 -1.50 0.00 0.00 0.00 179.25 177.82 3ias s ILE 113 N -3.36 4.84 0.05 0.00 1.10 -1.26 -0.81 121.20 121.76 3ias s ILE 113 Ca -0.09 1.61 0.03 0.00 -0.51 0.00 0.00 60.65 61.69 3ias s ILE 113 Cb 0.01 -4.13 -0.03 0.00 0.15 0.00 0.00 42.46 38.46 3ias s ILE 113 CO 0.29 -0.04 -0.09 -0.69 -2.11 0.00 0.00 174.94 172.30 3ias s VAL 114 N 2.62 0.68 -0.22 4.00 1.01 -0.65 -4.30 120.40 123.53 3ias s VAL 114 Ca 0.36 -1.14 -0.28 0.00 0.00 0.00 0.00 61.98 60.93 3ias s VAL 114 Cb -0.16 -0.72 0.00 0.00 0.00 0.00 0.00 36.38 35.51 3ias s VAL 114 CO 0.09 -0.35 0.98 -0.76 0.00 0.00 0.00 175.10 175.06 3ias s LEU 115 N -1.62 4.11 0.00 3.92 1.43 -1.26 -0.70 118.68 124.55 3ias s LEU 115 Ca -0.08 1.30 0.00 0.00 -1.03 0.00 0.00 54.13 54.32 3ias s LEU 115 Cb -0.10 -3.44 0.00 0.00 0.03 0.00 0.00 46.19 42.68 3ias s LEU 115 CO 0.01 -0.60 0.00 0.61 0.23 0.00 0.00 176.35 176.59 3ias n GLY 116 N 3.42 -0.89 0.02 -3.19 0.00 0.15 -4.50 105.19 100.20 3ias n GLY 116 Ca 0.10 -1.46 -0.03 0.00 0.00 0.00 0.00 46.02 44.63 3ias n GLY 116 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3ias n TYR 117 N -0.15 0.00 -1.43 1.61 4.01 -1.26 -1.10 117.16 118.84 3ias n TYR 117 Ca 0.00 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.35 3ias n TYR 117 Cb 0.00 -0.20 0.03 0.00 -0.31 0.00 0.00 39.34 38.86 3ias n TYR 117 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3ias n ASP 118 N -2.44 -1.50 0.00 7.72 9.92 -1.26 -4.52 116.55 124.47 3ias n ASP 118 Ca -0.08 0.74 0.00 0.00 -0.53 0.00 0.00 54.79 54.92 3ias n ASP 118 Cb 0.61 -1.11 0.00 0.00 -0.64 0.00 0.00 41.12 39.99 3ias n ASP 118 CO 0.00 0.00 0.00 2.22 0.13 0.00 0.00 177.20 179.55 3ias n PHE 119 N -1.55 0.00 -2.14 1.24 1.16 -1.26 -1.36 117.46 113.55 3ias n PHE 119 Ca 0.11 0.00 -0.40 0.00 -1.87 0.00 0.00 57.45 55.29 3ias n PHE 119 Cb 0.46 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.32 3ias n PHE 119 CO 0.00 0.00 0.00 0.39 -1.87 0.00 0.00 176.76 175.28 3ias n GLU 120 N 0.00 2.64 -0.45 3.97 1.02 -1.26 -4.52 120.64 122.04 3ias n GLU 120 Ca 0.00 -2.82 0.03 0.00 -0.02 0.00 0.00 57.16 54.35 3ias n GLU 120 Cb 0.00 -3.44 0.05 0.00 -0.02 0.00 0.00 31.44 28.03 3ias n GLU 120 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ias n MET 121 N 7.70 0.42 -1.82 3.49 0.00 -1.26 -4.60 117.12 121.05 3ias n MET 121 Ca 0.49 -1.60 -0.41 0.00 0.00 0.00 0.00 57.70 56.18 3ias n MET 121 Cb 0.44 -0.79 -0.01 0.00 0.00 0.00 0.00 33.22 32.86 3ias n MET 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3ias s ALA 122 N -0.94 3.64 0.04 3.17 0.00 -1.26 -4.84 121.76 121.58 3ias s ALA 122 Ca 0.13 1.55 0.01 0.00 0.00 0.00 0.00 51.96 53.64 3ias s ALA 122 Cb 0.12 -3.62 -0.00 0.00 0.00 0.00 0.00 23.12 19.62 3ias s ALA 122 CO -0.01 -0.99 0.04 -3.47 0.00 0.00 0.00 175.76 171.33 3ias n ASP 123 N 1.22 -0.10 -0.06 0.00 -0.08 -1.26 -4.84 116.55 111.43 3ias n ASP 123 Ca 0.04 -1.30 -0.06 0.00 -1.51 0.00 0.00 54.79 51.96 3ias n ASP 123 Cb 0.39 0.23 -0.02 0.00 2.34 0.00 0.00 41.12 44.06 3ias n ASP 123 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 3ias n TYR 124 N -0.09 0.00 -3.44 -0.67 4.01 -1.26 -4.97 117.16 110.74 3ias n TYR 124 Ca 0.01 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.38 3ias n TYR 124 Cb 0.08 -0.36 -0.07 0.00 -0.31 0.00 0.00 39.34 38.68 3ias n TYR 124 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 3ias s GLU 125 N -2.54 4.26 0.14 -0.72 2.02 -1.26 -4.99 118.70 115.61 3ias s GLU 125 Ca -0.21 0.21 -0.21 0.00 0.02 0.00 0.00 54.97 54.79 3ias s GLU 125 Cb 0.03 -3.46 0.02 0.00 0.10 0.00 0.00 34.13 30.82 3ias s GLU 125 CO 0.31 0.14 1.20 0.98 0.02 0.00 0.00 175.26 177.91 3ias n TYR 126 N 3.84 -0.23 0.32 1.61 4.19 -1.26 -0.04 117.16 125.59 3ias n TYR 126 Ca -0.10 0.97 0.12 0.00 3.31 0.00 0.00 57.90 62.20 3ias n TYR 126 Cb 0.52 -0.63 0.55 0.00 0.49 0.00 0.00 39.34 40.26 3ias n TYR 126 CO 0.00 0.00 0.00 0.77 0.91 0.00 0.00 176.86 178.54 3ias h SER 127 N 0.00 0.00 0.24 2.98 0.02 -1.99 -1.12 113.55 113.68 3ias h SER 127 Ca 0.17 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 3ias h SER 127 Cb 0.36 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.90 3ias h SER 127 CO -0.74 0.00 0.00 0.47 -1.14 0.00 0.00 176.83 175.42 3ias n ASP 128 N -2.32 0.00 -0.82 3.07 8.00 0.94 -3.40 116.55 122.03 3ias n ASP 128 Ca 0.01 -0.43 0.10 0.00 0.71 0.00 0.00 54.79 55.18 3ias n ASP 128 Cb 0.17 -0.15 0.09 0.00 -0.02 0.00 0.00 41.12 41.21 3ias n ASP 128 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3ias n LEU 129 N -1.15 2.70 -4.62 0.64 4.77 -0.42 -4.82 117.00 114.10 3ias n LEU 129 Ca 0.16 -1.01 -0.42 0.00 -0.03 0.00 0.00 56.01 54.70 3ias n LEU 129 Cb 0.15 -0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.20 3ias n LEU 129 CO 0.17 0.47 0.74 0.54 -1.33 0.00 0.00 177.39 177.97 3ias s VAL 130 N -1.69 4.68 -0.03 4.08 0.11 -1.22 -2.44 120.40 123.89 3ias s VAL 130 Ca 0.24 1.40 -0.24 0.00 -2.93 0.00 0.00 61.98 60.44 3ias s VAL 130 Cb 0.17 -4.26 -0.04 0.00 -1.53 0.00 0.00 36.38 30.72 3ias s VAL 130 CO 0.25 -0.35 0.74 -0.31 -3.33 0.00 0.00 175.10 172.10 3ias s TYR 131 N 3.24 3.64 0.73 1.54 1.51 -0.28 -4.86 117.35 122.86 3ias s TYR 131 Ca 0.38 1.35 -0.00 0.00 -1.01 0.00 0.00 57.07 57.78 3ias s TYR 131 Cb -0.13 -2.82 0.14 0.00 -0.11 0.00 0.00 41.96 39.03 3ias s TYR 131 CO 0.14 0.15 1.00 0.20 -1.11 0.00 0.00 175.55 175.93 3ias s GLY 132 N 0.51 1.75 0.12 0.71 0.00 -1.26 -1.77 107.32 107.38 3ias s GLY 132 Ca 0.39 -1.83 -0.25 0.00 0.00 0.00 0.00 44.72 43.03 3ias s GLY 132 CO 0.20 -1.23 1.66 1.70 0.00 0.00 0.00 173.10 175.43 3ias h LYS 133 N -0.54 -0.33 0.00 2.90 3.64 -1.90 -1.08 116.57 119.25 3ias h LYS 133 Ca -0.35 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 3ias h LYS 133 Cb 1.26 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.16 3ias h LYS 133 CO 0.38 -0.22 0.00 -0.85 -2.27 0.00 0.00 179.45 176.49 3ias n GLU 134 N -5.33 0.90 0.00 1.90 0.00 -1.26 -1.30 120.64 115.54 3ias n GLU 134 Ca -0.05 0.00 0.11 0.00 0.00 0.00 0.00 57.16 57.22 3ias n GLU 134 Cb 0.24 -1.11 0.09 0.00 0.00 0.00 0.00 31.44 30.66 3ias n GLU 134 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3ias n ASP 135 N -0.61 0.72 0.00 -1.84 8.00 -0.42 -4.60 116.55 117.81 3ias n ASP 135 Ca 0.05 -0.58 0.00 0.00 0.71 0.00 0.00 54.79 54.97 3ias n ASP 135 Cb 0.02 0.57 0.00 0.00 -0.02 0.00 0.00 41.12 41.69 3ias n ASP 135 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 3ias n MET 136 N -1.49 3.45 -1.10 -1.24 2.81 -0.42 -4.88 117.12 114.24 3ias n MET 136 Ca 0.05 0.00 -0.35 0.00 -1.81 0.00 0.00 57.70 55.59 3ias n MET 136 Cb 0.33 -0.49 0.08 0.00 -0.71 0.00 0.00 33.22 32.44 3ias n MET 136 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3ias n LEU 137 N -0.69 -0.01 0.04 4.03 4.32 -1.07 -0.25 117.00 123.36 3ias n LEU 137 Ca 0.00 0.49 0.02 0.00 -0.02 0.00 0.00 56.01 56.50 3ias n LEU 137 Cb 0.00 -1.18 0.38 0.00 -1.62 0.00 0.00 43.42 41.01 3ias n LEU 137 CO 0.00 -3.49 1.01 -0.37 -1.22 0.00 0.00 177.39 173.32 3ias h VAL 138 N -0.77 1.15 0.00 4.08 -1.51 -1.55 -2.72 116.25 114.94 3ias h VAL 138 Ca -0.45 -0.53 0.00 0.00 -1.23 0.00 0.00 66.70 64.49 3ias h VAL 138 Cb 1.33 0.86 0.00 0.00 -2.13 0.00 0.00 31.29 31.34 3ias h VAL 138 CO 0.39 0.19 0.00 -0.90 -1.23 0.00 0.00 177.57 176.02 3ias n ASP 139 N -4.36 1.34 -4.60 4.19 5.75 -1.26 -4.63 116.55 112.97 3ias n ASP 139 Ca 0.01 -1.53 -0.32 0.00 -0.01 0.00 0.00 54.79 52.94 3ias n ASP 139 Cb 0.18 -0.38 -0.10 0.00 -1.03 0.00 0.00 41.12 39.78 3ias n ASP 139 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3ias s VAL 140 N -0.54 3.69 -0.16 2.12 0.11 -1.03 -5.11 120.40 119.49 3ias s VAL 140 Ca 0.00 -0.76 0.01 0.00 -2.93 0.00 0.00 61.98 58.30 3ias s VAL 140 Cb 0.00 -2.61 0.02 0.00 -1.53 0.00 0.00 36.38 32.26 3ias s VAL 140 CO 0.00 0.39 -0.17 -0.69 -3.33 0.00 0.00 175.10 171.30 3ias s VAL 141 N -1.00 1.82 0.00 2.04 1.01 -1.26 -4.96 120.40 118.04 3ias s VAL 141 Ca 0.17 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.36 3ias s VAL 141 Cb -0.11 -1.66 0.00 0.00 0.00 0.00 0.00 36.38 34.60 3ias s VAL 141 CO 0.08 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.29 3ias n GLY 142 N 4.61 -2.53 3.98 4.51 0.00 -1.26 -4.74 105.19 109.76 3ias n GLY 142 Ca -0.19 -1.70 -0.23 0.00 0.00 0.00 0.00 46.02 43.90 3ias n GLY 142 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ias s THR 143 N -0.54 1.82 0.16 2.61 -4.23 -1.26 -4.88 115.64 109.32 3ias s THR 143 Ca 0.00 -1.23 -0.16 0.00 -1.18 0.00 0.00 61.69 59.13 3ias s THR 143 Cb 0.00 -2.04 0.06 0.00 1.34 0.00 0.00 72.50 71.86 3ias s THR 143 CO 0.00 0.00 1.72 0.50 -0.54 0.00 0.00 174.62 176.30 3ias h LYS 144 N 0.39 0.17 0.05 3.99 3.64 -1.91 -1.34 116.57 121.56 3ias h LYS 144 Ca -0.32 -0.01 -0.23 0.00 -1.27 0.00 0.00 60.65 58.82 3ias h LYS 144 Cb 1.30 -0.04 0.02 0.00 -0.41 0.00 0.00 32.23 33.10 3ias h LYS 144 CO 0.48 0.11 -0.94 -1.00 -2.27 0.00 0.00 179.45 175.83 3ias h PRO 145 N 0.18 0.55 -0.69 1.90 0.13 -1.88 -2.61 132.00 129.57 3ias h PRO 145 Ca 0.19 -0.66 0.13 0.00 -0.87 0.00 0.00 66.00 64.79 3ias h PRO 145 Cb 0.24 0.20 -0.09 0.00 0.13 0.00 0.00 31.00 31.48 3ias h PRO 145 CO -0.27 1.27 0.23 1.96 -0.23 0.00 0.00 178.00 180.95 3ias h GLN 146 N 0.13 0.35 0.19 0.86 4.20 -1.78 -1.98 115.11 117.08 3ias h GLN 146 Ca -0.13 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.55 3ias h GLN 146 Cb 1.64 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 29.34 3ias h GLN 146 CO 0.18 0.23 -0.09 0.00 -0.67 0.00 0.00 178.83 178.49 3ias h ARG 147 N 0.37 -0.24 -1.07 1.46 3.08 -1.35 -2.96 114.38 113.66 3ias h ARG 147 Ca 0.37 0.02 0.30 0.00 0.07 0.00 0.00 59.98 60.74 3ias h ARG 147 Cb 0.56 0.05 -0.12 0.00 0.08 0.00 0.00 29.97 30.54 3ias h ARG 147 CO -0.40 0.14 0.66 -0.09 -1.07 0.00 0.00 179.97 179.21 3ias h ARG 148 N -0.70 0.36 0.25 0.04 2.43 -1.05 0.73 114.38 116.43 3ias h ARG 148 Ca -0.03 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 3ias h ARG 148 Cb 0.49 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 3ias h ARG 148 CO 0.04 0.24 -0.12 1.49 -1.51 0.00 0.00 179.97 180.11 3ias h GLU 149 N 0.37 -0.32 0.00 0.20 4.81 -1.39 -2.83 114.58 115.41 3ias h GLU 149 Ca 0.67 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.93 3ias h GLU 149 Cb 1.66 0.07 0.00 0.00 0.63 0.00 0.00 28.75 31.12 3ias h GLU 149 CO -0.42 0.03 0.00 0.00 -0.73 0.00 0.00 179.01 177.89 3ias n ALA 150 N -2.49 1.60 -0.05 2.92 0.00 0.09 -1.18 120.51 121.40 3ias n ALA 150 Ca -0.09 -0.02 -0.02 0.00 0.00 0.00 0.00 53.44 53.31 3ias n ALA 150 Cb 0.26 -1.06 -0.01 0.00 0.00 0.00 0.00 19.45 18.65 3ias n ALA 150 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3ias h LYS 151 N 0.00 0.00 0.00 0.00 1.63 -0.86 -3.15 116.57 114.20 3ias h LYS 151 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 3ias h LYS 151 Cb 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 3ias h LYS 151 CO 0.00 0.00 0.00 2.89 -3.45 0.00 0.00 179.45 178.89 3ias n ARG 152 N -4.15 0.70 -0.09 1.90 1.85 -1.02 -3.48 116.66 112.37 3ias n ARG 152 Ca -0.03 0.01 -0.22 0.00 -1.00 0.00 0.00 57.85 56.60 3ias n ARG 152 Cb 0.11 -1.50 -0.12 0.00 -1.05 0.00 0.00 32.46 29.90 3ias n ARG 152 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 3ias n THR 153 N -1.02 1.59 -0.79 8.89 -1.04 -0.32 -5.00 114.28 116.59 3ias n THR 153 Ca 0.17 -0.45 0.00 0.00 -2.04 0.00 0.00 64.05 61.73 3ias n THR 153 Cb 0.09 -1.73 0.00 0.00 -1.82 0.00 0.00 70.33 66.87 3ias n THR 153 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3ias n GLY 154 N 1.80 0.60 3.16 3.41 0.00 -1.19 -5.04 105.19 107.93 3ias n GLY 154 Ca -0.42 -0.07 -0.33 0.00 0.00 0.00 0.00 46.02 45.20 3ias n GLY 154 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ias s LYS 155 N -0.33 3.04 0.98 1.61 2.47 -1.26 -5.09 119.74 121.16 3ias s LYS 155 Ca 0.00 -0.83 -0.21 0.00 -1.56 0.00 0.00 55.97 53.37 3ias s LYS 155 Cb 0.00 -2.53 -0.06 0.00 -1.46 0.00 0.00 37.83 33.79 3ias s LYS 155 CO 0.00 -0.09 -0.78 -2.30 0.16 0.00 0.00 175.35 172.34 3ias n PRO 156 N 4.31 -0.69 -3.29 4.03 -0.02 -1.26 -4.48 135.00 133.60 3ias n PRO 156 Ca -0.20 -0.20 -0.42 0.00 -2.02 0.00 0.00 63.50 60.66 3ias n PRO 156 Cb 0.51 -1.24 -0.08 0.00 -0.02 0.00 0.00 33.50 32.66 3ias n PRO 156 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3ias s VAL 157 N -2.07 5.05 -0.73 -1.45 -7.23 -1.26 -4.90 120.40 107.80 3ias s VAL 157 Ca 0.38 -0.10 -0.19 0.00 -1.81 0.00 0.00 61.98 60.25 3ias s VAL 157 Cb 0.02 -4.02 0.12 0.00 0.56 0.00 0.00 36.38 33.06 3ias s VAL 157 CO 0.56 -0.36 0.90 -0.54 -0.31 0.00 0.00 175.10 175.34 3ias s LYS 158 N 2.26 3.28 0.00 4.82 1.02 -1.26 -5.00 119.74 124.87 3ias s LYS 158 Ca 0.15 -1.46 -0.30 0.00 0.02 0.00 0.00 55.97 54.37 3ias s LYS 158 Cb -0.16 -4.47 -0.06 0.00 -0.52 0.00 0.00 37.83 32.62 3ias s LYS 158 CO 0.14 -1.65 1.50 0.14 -0.92 0.00 0.00 175.35 174.56 3ias s VAL 159 N 2.73 3.54 0.00 3.17 -7.23 -1.26 -4.89 120.40 116.46 3ias s VAL 159 Ca 0.21 0.89 0.00 0.00 -1.81 0.00 0.00 61.98 61.27 3ias s VAL 159 Cb -0.15 -3.57 0.00 0.00 0.56 0.00 0.00 36.38 33.21 3ias s VAL 159 CO 0.01 -0.02 0.98 0.61 -0.31 0.00 0.00 175.10 176.37 3ias n GLY 160 N 3.81 1.71 3.19 2.32 0.00 -1.26 -4.80 105.19 110.16 3ias n GLY 160 Ca 0.14 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.08 3ias n GLY 160 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3ias s TYR 161 N 0.25 0.38 0.04 1.61 -0.85 -1.26 -1.63 117.35 115.89 3ias s TYR 161 Ca 0.00 -0.83 -0.08 0.00 -0.52 0.00 0.00 57.07 55.64 3ias s TYR 161 Cb 0.00 -0.20 -0.00 0.00 0.38 0.00 0.00 41.96 42.14 3ias s TYR 161 CO 0.00 -0.52 0.17 0.14 -1.52 0.00 0.00 175.55 173.82 3ias s VAL 162 N -3.92 0.12 0.16 -3.49 -7.23 0.15 -4.63 120.40 101.55 3ias s VAL 162 Ca 0.10 -0.98 0.00 0.00 -1.81 0.00 0.00 61.98 59.30 3ias s VAL 162 Cb 0.06 -0.95 -0.04 0.00 0.56 0.00 0.00 36.38 36.01 3ias s VAL 162 CO -0.07 -0.54 0.03 0.68 -0.31 0.00 0.00 175.10 174.89 3ias s VAL 163 N -2.70 0.40 0.17 1.32 -7.23 -0.61 -1.63 120.40 110.12 3ias s VAL 163 Ca -0.04 -1.95 -0.11 0.00 -1.81 0.00 0.00 61.98 58.07 3ias s VAL 163 Cb -0.01 -2.11 0.07 0.00 0.56 0.00 0.00 36.38 34.90 3ias s VAL 163 CO -0.05 -0.45 1.69 1.55 -0.31 0.00 0.00 175.10 177.54 3ias h PRO 164 N 2.76 0.95 -2.56 4.82 0.13 -1.79 -3.27 132.00 133.04 3ias h PRO 164 Ca -0.36 -0.21 0.09 0.00 -0.87 0.00 0.00 66.00 64.65 3ias h PRO 164 Cb 1.20 -0.13 -0.11 0.00 0.13 0.00 0.00 31.00 32.09 3ias h PRO 164 CO 0.61 0.85 0.39 1.52 -0.23 0.00 0.00 178.00 181.14 3ias s TYR 165 N -5.36 -0.32 0.25 1.56 -0.85 -1.26 -4.59 117.35 106.77 3ias s TYR 165 Ca -0.13 0.09 -0.30 0.00 -0.52 0.00 0.00 57.07 56.22 3ias s TYR 165 Cb 0.13 0.59 -0.09 0.00 0.38 0.00 0.00 41.96 42.97 3ias s TYR 165 CO 0.81 -0.77 1.07 0.14 -1.52 0.00 0.00 175.55 175.28 3ias s VAL 166 N -3.41 3.69 0.73 -3.49 -7.23 -1.26 -4.75 120.40 104.68 3ias s VAL 166 Ca 0.06 1.64 -0.16 0.00 -1.81 0.00 0.00 61.98 61.71 3ias s VAL 166 Cb -0.02 -4.04 0.01 0.00 0.56 0.00 0.00 36.38 32.89 3ias s VAL 166 CO -0.05 0.36 0.94 0.54 -0.31 0.00 0.00 175.10 176.58 3ias n ARG 167 N 1.55 0.47 -0.30 4.82 1.74 -1.26 -4.90 116.66 118.78 3ias n ARG 167 Ca -0.00 0.22 -0.04 0.00 -0.77 0.00 0.00 57.85 57.26 3ias n ARG 167 Cb 0.46 -2.20 0.08 0.00 -1.02 0.00 0.00 32.46 29.77 3ias n ARG 167 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 3ias h PRO 168 N -0.30 1.07 0.00 5.56 0.11 -1.98 -3.03 132.00 133.44 3ias h PRO 168 Ca -0.47 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 65.56 3ias h PRO 168 Cb 1.33 -0.24 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 3ias h PRO 168 CO 0.46 0.71 -0.07 0.93 -0.21 0.00 0.00 178.00 179.82 3ias h GLU 169 N 1.10 0.00 -1.21 1.05 3.07 -2.00 -2.21 114.58 114.39 3ias h GLU 169 Ca 0.30 0.00 -0.39 0.00 -0.50 0.00 0.00 59.36 58.77 3ias h GLU 169 Cb -0.12 0.00 -0.19 0.00 -0.84 0.00 0.00 28.75 27.60 3ias h GLU 169 CO -0.07 0.07 0.50 1.28 -1.40 0.00 0.00 179.01 179.40 3ias n LEU 170 N -3.60 6.24 -4.62 1.33 4.77 -1.14 -4.95 117.00 115.02 3ias n LEU 170 Ca -0.02 -3.29 -0.43 0.00 -0.03 0.00 0.00 56.01 52.24 3ias n LEU 170 Cb 0.19 -0.90 -0.03 0.00 -2.33 0.00 0.00 43.42 40.35 3ias n LEU 170 CO 0.28 1.11 1.76 1.21 -1.33 0.00 0.00 177.39 180.42 3ias n GLU 171 N -0.26 2.29 0.00 3.23 4.07 -0.83 -1.03 120.64 128.11 3ias n GLU 171 Ca 0.39 0.73 0.00 0.00 -0.06 0.00 0.00 57.16 58.22 3ias n GLU 171 Cb 0.88 -3.14 0.00 0.00 -0.06 0.00 0.00 31.44 29.12 3ias n GLU 171 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3ias n GLY 172 N 5.32 0.90 3.56 8.31 0.00 -1.26 -4.71 105.19 117.31 3ias n GLY 172 Ca 0.26 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.88 3ias n GLY 172 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3ias s PHE 173 N -1.00 1.88 -0.09 1.61 5.36 -0.20 -4.88 117.98 120.67 3ias s PHE 173 Ca 0.00 0.61 -0.30 0.00 -0.96 0.00 0.00 56.93 56.28 3ias s PHE 173 Cb 0.00 -4.22 -0.02 0.00 -0.34 0.00 0.00 43.02 38.44 3ias s PHE 173 CO 0.00 -2.29 1.07 0.15 -1.46 0.00 0.00 175.22 172.69 3ias s LYS 174 N 6.41 4.40 0.13 10.12 1.02 -1.26 -4.95 119.74 135.61 3ias s LYS 174 Ca 0.62 1.48 -0.16 0.00 0.02 0.00 0.00 55.97 57.93 3ias s LYS 174 Cb -0.13 -3.54 0.03 0.00 -0.52 0.00 0.00 37.83 33.67 3ias s LYS 174 CO 0.22 -0.35 0.39 0.00 -0.92 0.00 0.00 175.35 174.70 3ias s ALA 175 N 2.04 -0.87 -0.47 5.17 0.00 -1.26 -5.03 121.76 121.34 3ias s ALA 175 Ca 0.51 -0.11 -0.26 0.00 0.00 0.00 0.00 51.96 52.10 3ias s ALA 175 Cb -0.20 0.70 -0.06 0.00 0.00 0.00 0.00 23.12 23.56 3ias s ALA 175 CO 0.19 -0.65 2.28 -1.25 0.00 0.00 0.00 175.76 176.34 3ias s PRO 176 N -3.81 2.35 0.00 0.00 0.04 -1.26 -4.84 135.00 127.47 3ias s PRO 176 Ca 0.04 1.36 0.00 0.00 0.04 0.00 0.00 61.00 62.44 3ias s PRO 176 Cb 0.02 -4.52 0.00 0.00 0.04 0.00 0.00 34.50 30.04 3ias s PRO 176 CO -0.11 -3.01 0.71 0.25 0.04 0.00 0.00 177.00 174.88 3ias n THR 177 N 7.83 0.45 0.03 1.26 -2.24 -1.26 -1.58 114.28 118.77 3ias n THR 177 Ca 0.33 -0.70 0.01 0.00 -2.27 0.00 0.00 64.05 61.42 3ias n THR 177 Cb 0.53 0.80 0.05 0.00 -2.10 0.00 0.00 70.33 69.61 3ias n THR 177 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3ias n GLU 178 N -0.22 0.01 -0.91 -0.78 1.02 -1.26 -4.51 120.64 113.99 3ias n GLU 178 Ca 0.00 0.31 0.00 0.00 -0.02 0.00 0.00 57.16 57.45 3ias n GLU 178 Cb 0.13 -1.80 0.00 0.00 -0.02 0.00 0.00 31.44 29.74 3ias n GLU 178 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72