#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1awi h TRP 3 N 0.00 0.00 0.00 1.61 4.06 -2.03 -2.67 115.95 116.92 1awi h TRP 3 Ca 0.00 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.95 1awi h TRP 3 Cb 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.16 1awi h TRP 3 CO 0.00 0.04 -0.02 -0.91 -3.56 0.00 0.00 178.44 173.99 1awi h ASN 4 N 0.00 0.00 0.72 -3.49 4.21 -1.97 -1.68 115.58 113.37 1awi h ASN 4 Ca -0.00 0.00 -0.06 0.00 1.21 0.00 0.00 56.30 57.44 1awi h ASN 4 Cb 0.12 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.31 1awi h ASN 4 CO 0.01 0.02 -0.31 0.00 -1.29 0.00 0.00 177.43 175.86 1awi h ALA 5 N 1.98 1.09 -0.02 -0.83 0.00 -1.91 -1.37 119.26 118.20 1awi h ALA 5 Ca -0.00 -0.28 -0.20 0.00 0.00 0.00 0.00 54.91 54.42 1awi h ALA 5 Cb 0.32 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1awi h ALA 5 CO 0.00 0.39 -0.86 1.88 0.00 0.00 0.00 179.25 180.66 1awi h TYR 6 N 0.00 0.47 -0.07 0.00 -1.99 -1.48 -1.39 116.97 112.51 1awi h TYR 6 Ca -0.00 -0.24 -0.01 0.00 2.00 0.00 0.00 58.73 60.47 1awi h TYR 6 Cb 0.75 -0.06 -0.00 0.00 2.00 0.00 0.00 36.73 39.42 1awi h TYR 6 CO 0.00 1.04 0.01 0.82 -0.00 0.00 0.00 178.16 180.03 1awi h ILE 7 N 0.19 1.21 -0.32 -2.88 1.08 -1.37 0.48 117.51 115.90 1awi h ILE 7 Ca -0.05 -0.65 0.02 0.00 -0.39 0.00 0.00 64.86 63.78 1awi h ILE 7 Cb 1.48 1.51 -0.02 0.00 -3.07 0.00 0.00 36.82 36.72 1awi h ILE 7 CO 0.14 0.18 0.18 0.44 -0.69 0.00 0.00 178.15 178.41 1awi h ASP 8 N -0.12 0.29 -0.12 1.72 3.32 -1.25 -0.49 116.42 119.77 1awi h ASP 8 Ca 0.02 0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.10 1awi h ASP 8 Cb 0.28 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 1awi h ASP 8 CO 0.00 0.21 -0.00 -1.13 -1.72 0.00 0.00 179.24 176.60 1awi h ASN 9 N 0.37 -0.05 -0.02 6.45 -0.73 -1.13 -1.14 115.58 119.34 1awi h ASN 9 Ca 0.13 0.03 -0.03 0.00 1.87 0.00 0.00 56.30 58.30 1awi h ASN 9 Cb 0.01 0.05 -0.01 0.00 0.27 0.00 0.00 38.32 38.64 1awi h ASN 9 CO -0.07 -0.01 -0.05 -0.07 -0.37 0.00 0.00 177.43 176.87 1awi h LEU 10 N 0.04 0.18 0.00 0.34 3.38 -0.51 -2.91 115.31 115.83 1awi h LEU 10 Ca 0.05 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1awi h LEU 10 Cb 0.06 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1awi h LEU 10 CO -0.09 0.26 -0.49 0.23 0.09 0.00 0.00 178.44 178.43 1awi n MET 11 N -4.37 0.02 -0.03 1.13 2.81 -0.23 -4.58 117.12 111.87 1awi n MET 11 Ca -0.01 0.00 -0.08 0.00 -1.81 0.00 0.00 57.70 55.80 1awi n MET 11 Cb 0.19 -1.51 -0.02 0.00 -0.71 0.00 0.00 33.22 31.18 1awi n MET 11 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1awi h ALA 12 N 2.97 -0.06 0.00 3.04 0.00 -1.01 -3.00 119.26 121.21 1awi h ALA 12 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1awi h ALA 12 Cb 0.51 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1awi h ALA 12 CO 0.00 -0.61 0.00 -0.40 0.00 0.00 0.00 179.25 178.24 1awi n ASP 13 N -5.34 0.00 0.00 0.00 5.68 -1.26 -4.88 116.55 110.76 1awi n ASP 13 Ca -0.01 0.12 0.00 0.00 -0.50 0.00 0.00 54.79 54.39 1awi n ASP 13 Cb 0.25 -0.31 0.00 0.00 -1.14 0.00 0.00 41.12 39.92 1awi n ASP 13 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1awi n GLY 14 N -0.02 1.46 0.14 6.12 0.00 -1.13 -4.90 105.19 106.85 1awi n GLY 14 Ca 0.07 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.09 1awi n GLY 14 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1awi h THR 15 N 0.00 1.22 -3.05 2.61 1.35 -1.90 -3.46 112.91 109.69 1awi h THR 15 Ca 0.00 -2.10 -0.63 0.00 -0.55 0.00 0.00 66.41 63.12 1awi h THR 15 Cb 0.00 2.20 -0.07 0.00 -1.73 0.00 0.00 68.15 68.55 1awi h THR 15 CO 0.00 0.56 -0.55 0.00 -0.25 0.00 0.00 175.52 175.28 1awi n GLN 17 N 0.52 3.56 -3.65 0.00 10.64 0.18 -4.81 117.38 123.83 1awi n GLN 17 Ca -0.08 -0.01 -0.14 0.00 -1.83 0.00 0.00 57.00 54.94 1awi n GLN 17 Cb 0.52 -0.96 -0.07 0.00 -0.86 0.00 0.00 30.24 28.86 1awi n GLN 17 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 1awi s ASP 18 N -2.00 -0.36 -0.02 2.61 -1.08 -1.16 -4.98 116.67 109.68 1awi s ASP 18 Ca 0.03 0.19 -0.30 0.00 -0.52 0.00 0.00 52.55 51.95 1awi s ASP 18 Cb 0.07 0.43 0.07 0.00 -1.46 0.00 0.00 42.92 42.03 1awi s ASP 18 CO 0.38 -0.61 0.68 0.00 0.52 0.00 0.00 175.17 176.14 1awi s ALA 19 N -1.93 -1.75 0.07 3.66 0.00 -1.26 -1.81 121.76 118.74 1awi s ALA 19 Ca -0.08 1.20 -0.26 0.00 0.00 0.00 0.00 51.96 52.81 1awi s ALA 19 Cb -0.02 0.12 0.07 0.00 0.00 0.00 0.00 23.12 23.29 1awi s ALA 19 CO 0.02 -0.43 0.65 0.00 0.00 0.00 0.00 175.76 175.99 1awi s ALA 20 N -1.61 -1.68 -0.22 0.00 0.00 -0.53 -2.79 121.76 114.94 1awi s ALA 20 Ca -0.09 0.83 0.00 0.00 0.00 0.00 0.00 51.96 52.70 1awi s ALA 20 Cb -0.00 0.53 0.06 0.00 0.00 0.00 0.00 23.12 23.70 1awi s ALA 20 CO 0.06 -0.62 -0.04 0.42 0.00 0.00 0.00 175.76 175.58 1awi s ILE 21 N -2.77 1.33 -0.09 0.00 -1.09 0.03 -1.43 121.20 117.17 1awi s ILE 21 Ca -0.03 -1.05 0.00 0.00 -2.23 0.00 0.00 60.65 57.34 1awi s ILE 21 Cb -0.01 -1.62 -0.03 0.00 -1.58 0.00 0.00 42.46 39.22 1awi s ILE 21 CO -0.04 -0.09 -0.08 -0.69 -1.23 0.00 0.00 174.94 172.81 1awi s VAL 22 N 1.49 3.56 -0.26 2.92 1.01 0.10 -0.92 120.40 128.31 1awi s VAL 22 Ca -0.04 -0.52 -0.15 0.00 0.00 0.00 0.00 61.98 61.27 1awi s VAL 22 Cb -0.18 -2.47 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 1awi s VAL 22 CO -0.07 0.57 0.37 -0.83 0.00 0.00 0.00 175.10 175.14 1awi s GLY 23 N -0.42 1.92 -0.08 4.51 0.00 -0.06 -0.07 107.32 113.13 1awi s GLY 23 Ca 0.06 -0.76 0.19 0.00 0.00 0.00 0.00 44.72 44.21 1awi s GLY 23 CO 0.02 0.93 0.31 1.58 0.00 0.00 0.00 173.10 175.94 1awi n TYR 24 N 5.14 0.00 -1.01 1.90 0.18 -1.19 -1.14 117.16 121.03 1awi n TYR 24 Ca -0.09 0.00 -0.31 0.00 1.88 0.00 0.00 57.90 59.38 1awi n TYR 24 Cb 0.51 -0.61 0.13 0.00 -0.38 0.00 0.00 39.34 38.98 1awi n TYR 24 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 1awi s LYS 25 N -3.06 1.68 0.86 -3.48 -0.14 -1.26 -4.21 119.74 110.13 1awi s LYS 25 Ca -0.08 1.38 0.00 0.00 -1.36 0.00 0.00 55.97 55.91 1awi s LYS 25 Cb 0.10 -1.82 0.00 0.00 -1.68 0.00 0.00 37.83 34.44 1awi s LYS 25 CO 0.80 -2.11 0.00 -0.25 -0.76 0.00 0.00 175.35 173.04 1awi n ASP 26 N -3.80 0.00 -4.13 2.83 8.00 -1.26 -3.54 116.55 114.65 1awi n ASP 26 Ca 0.11 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 55.26 1awi n ASP 26 Cb 0.52 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 41.49 1awi n ASP 26 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1awi s SER 27 N -4.00 4.96 0.30 -2.24 0.15 -1.26 -5.09 113.70 106.51 1awi s SER 27 Ca 0.00 -1.61 -0.29 0.00 0.70 0.00 0.00 55.95 54.74 1awi s SER 27 Cb 0.00 -1.73 -0.11 0.00 -1.71 0.00 0.00 66.02 62.48 1awi s SER 27 CO 0.00 -0.35 1.48 -2.16 1.20 0.00 0.00 173.24 173.41 1awi s PRO 28 N 1.17 4.20 0.15 5.44 0.04 -1.23 -4.85 135.00 139.92 1awi s PRO 28 Ca 0.01 2.43 -0.23 0.00 0.04 0.00 0.00 61.00 63.24 1awi s PRO 28 Cb -0.21 -3.05 0.07 0.00 0.04 0.00 0.00 34.50 31.35 1awi s PRO 28 CO -0.03 -0.48 0.60 -1.54 0.04 0.00 0.00 177.00 175.59 1awi s SER 29 N 0.20 -0.57 -0.28 6.66 1.04 -0.29 -4.76 113.70 115.70 1awi s SER 29 Ca 0.58 0.03 -0.28 0.00 0.48 0.00 0.00 55.95 56.75 1awi s SER 29 Cb -0.44 0.60 0.01 0.00 0.10 0.00 0.00 66.02 66.28 1awi s SER 29 CO 0.50 -0.95 1.02 -0.69 0.98 0.00 0.00 173.24 174.10 1awi s VAL 30 N -3.64 4.61 0.06 5.02 1.01 -1.26 -0.88 120.40 125.31 1awi s VAL 30 Ca 0.01 1.78 -0.04 0.00 0.00 0.00 0.00 61.98 63.72 1awi s VAL 30 Cb -0.01 -4.34 -0.29 0.00 0.00 0.00 0.00 36.38 31.75 1awi s VAL 30 CO -0.12 -0.33 1.07 -0.50 0.00 0.00 0.00 175.10 175.21 1awi h TRP 31 N 7.85 0.51 -1.84 5.22 6.55 -1.39 -3.47 115.95 129.37 1awi h TRP 31 Ca -0.20 -0.37 -0.00 0.00 0.95 0.00 0.00 58.89 59.27 1awi h TRP 31 Cb 1.07 -0.02 -0.23 0.00 -0.86 0.00 0.00 29.16 29.12 1awi h TRP 31 CO 0.79 1.32 0.27 0.00 -1.05 0.00 0.00 178.44 179.77 1awi s ALA 32 N -2.64 -1.85 0.39 1.49 0.00 -1.11 -4.81 121.76 113.22 1awi s ALA 32 Ca -0.05 1.87 -0.11 0.00 0.00 0.00 0.00 51.96 53.67 1awi s ALA 32 Cb 0.07 -1.11 0.04 0.00 0.00 0.00 0.00 23.12 22.13 1awi s ALA 32 CO 0.88 -0.31 0.70 0.00 0.00 0.00 0.00 175.76 177.04 1awi n ALA 33 N 2.21 -1.34 -2.54 0.00 0.00 -1.26 -0.79 120.51 116.78 1awi n ALA 33 Ca -0.14 -1.39 -0.42 0.00 0.00 0.00 0.00 53.44 51.50 1awi n ALA 33 Cb 0.56 1.11 -0.08 0.00 0.00 0.00 0.00 19.45 21.04 1awi n ALA 33 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1awi s VAL 34 N -2.32 4.98 0.49 0.00 1.01 -1.12 -4.98 120.40 118.47 1awi s VAL 34 Ca 0.20 0.25 -0.24 0.00 0.00 0.00 0.00 61.98 62.19 1awi s VAL 34 Cb -0.04 -4.02 -0.07 0.00 0.00 0.00 0.00 36.38 32.26 1awi s VAL 34 CO 0.15 -0.30 1.40 -2.65 0.00 0.00 0.00 175.10 173.70 1awi n PRO 35 N 5.83 2.01 -0.93 2.72 -0.02 -1.26 -2.37 135.00 140.97 1awi n PRO 35 Ca -0.04 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 1awi n PRO 35 Cb 0.49 -2.61 0.00 0.00 -0.02 0.00 0.00 33.50 31.36 1awi n PRO 35 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1awi n GLY 36 N 0.66 0.89 0.00 -1.23 0.00 -1.26 -5.01 105.19 99.23 1awi n GLY 36 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1awi n GLY 36 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1awi n LYS 37 N -2.17 3.48 -0.05 1.61 4.01 -1.00 -5.11 118.16 118.92 1awi n LYS 37 Ca 0.00 0.00 -0.02 0.00 -0.51 0.00 0.00 58.31 57.78 1awi n LYS 37 Cb 0.00 0.00 -0.01 0.00 -0.51 0.00 0.00 35.03 34.51 1awi n LYS 37 CO 0.00 0.00 0.00 1.15 -1.11 0.00 0.00 177.40 177.44 1awi h THR 38 N 0.02 0.00 -1.26 -0.18 2.02 -1.93 -3.40 112.91 108.18 1awi h THR 38 Ca 0.00 -0.85 0.36 0.00 0.77 0.00 0.00 66.41 66.69 1awi h THR 38 Cb 0.00 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.34 1awi h THR 38 CO 0.00 0.00 0.88 -0.26 0.37 0.00 0.00 175.52 176.51 1awi h PHE 39 N -0.85 0.17 -0.01 3.16 0.04 -1.90 0.22 116.94 117.77 1awi h PHE 39 Ca 0.00 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.78 1awi h PHE 39 Cb 0.25 -0.05 -0.00 0.00 2.20 0.00 0.00 35.95 38.35 1awi h PHE 39 CO -0.11 -0.01 0.02 -0.24 -0.60 0.00 0.00 178.31 177.38 1awi h VAL 40 N 0.08 0.26 -0.59 -0.55 3.04 -1.80 -1.84 116.25 114.85 1awi h VAL 40 Ca 0.63 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.32 1awi h VAL 40 Cb 2.32 0.98 0.00 0.00 -2.01 0.00 0.00 31.29 32.58 1awi h VAL 40 CO -0.09 0.00 0.00 0.59 -1.01 0.00 0.00 177.57 177.06 1awi n ASN 41 N -3.46 4.42 -4.75 3.17 5.03 0.78 -4.96 115.26 115.49 1awi n ASN 41 Ca -0.03 -2.42 -0.41 0.00 0.87 0.00 0.00 54.58 52.59 1awi n ASN 41 Cb 0.10 -0.56 -0.02 0.00 -1.02 0.00 0.00 39.78 38.28 1awi n ASN 41 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1awi s ILE 42 N -1.85 2.61 0.25 2.41 1.01 -0.70 -4.32 121.20 120.61 1awi s ILE 42 Ca 0.47 0.53 0.03 0.00 0.00 0.00 0.00 60.65 61.67 1awi s ILE 42 Cb 0.30 -3.34 -0.03 0.00 0.01 0.00 0.00 42.46 39.40 1awi s ILE 42 CO 0.22 0.09 0.41 0.42 0.00 0.00 0.00 174.94 176.08 1awi s THR 43 N -0.22 5.22 0.49 2.92 -4.23 -1.26 -4.87 115.64 113.69 1awi s THR 43 Ca 0.58 -0.71 0.19 0.00 -1.18 0.00 0.00 61.69 60.56 1awi s THR 43 Cb -0.42 -3.83 0.25 0.00 1.34 0.00 0.00 72.50 69.85 1awi s THR 43 CO 0.46 -0.34 2.10 -0.65 -0.54 0.00 0.00 174.62 175.65 1awi h PRO 44 N 1.31 0.00 -0.25 3.99 0.11 -1.95 -0.39 132.00 134.83 1awi h PRO 44 Ca -0.50 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 1awi h PRO 44 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1awi h PRO 44 CO 0.63 0.08 0.04 0.00 -0.21 0.00 0.00 178.00 178.54 1awi h ALA 45 N 1.92 0.33 -0.72 -0.75 0.00 -1.98 0.19 119.26 118.25 1awi h ALA 45 Ca -0.00 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 1awi h ALA 45 Cb 0.16 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1awi h ALA 45 CO 0.01 0.01 0.24 0.93 0.00 0.00 0.00 179.25 180.44 1awi h GLU 46 N 0.21 1.11 -0.25 0.00 5.08 -1.64 -1.01 114.58 118.08 1awi h GLU 46 Ca 0.07 -0.23 -0.07 0.00 -1.00 0.00 0.00 59.36 58.13 1awi h GLU 46 Cb 0.33 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1awi h GLU 46 CO 0.01 0.94 -0.14 0.28 -1.00 0.00 0.00 179.01 179.09 1awi h VAL 47 N 1.05 1.23 -0.35 3.13 2.07 -0.90 -1.75 116.25 120.73 1awi h VAL 47 Ca 0.23 -1.01 -0.09 0.00 0.82 0.00 0.00 66.70 66.65 1awi h VAL 47 Cb 0.28 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 1awi h VAL 47 CO -0.01 0.32 -0.18 1.23 0.02 0.00 0.00 177.57 178.96 1awi h GLY 48 N 0.91 0.70 0.98 2.17 0.00 -0.15 -2.53 103.07 105.14 1awi h GLY 48 Ca 0.07 -0.54 -0.06 0.00 0.00 0.00 0.00 47.33 46.80 1awi h GLY 48 CO 0.03 0.50 0.07 -2.08 0.00 0.00 0.00 176.54 175.06 1awi h VAL 49 N 0.58 1.25 -0.29 4.60 2.07 -0.39 -1.36 116.25 122.71 1awi h VAL 49 Ca 0.09 -0.95 -0.06 0.00 0.82 0.00 0.00 66.70 66.61 1awi h VAL 49 Cb 0.63 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 1awi h VAL 49 CO 0.04 0.34 -0.07 -0.07 0.02 0.00 0.00 177.57 177.83 1awi h LEU 50 N 0.69 0.44 -1.90 2.57 3.38 -1.07 -3.22 115.31 116.19 1awi h LEU 50 Ca 0.15 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1awi h LEU 50 Cb 0.41 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1awi h LEU 50 CO 0.01 0.55 0.00 1.33 0.09 0.00 0.00 178.44 180.43 1awi n VAL 51 N -4.25 0.20 -1.50 1.22 0.24 -0.98 -4.91 118.33 108.35 1awi n VAL 51 Ca 0.01 -0.60 -0.33 0.00 -2.04 0.00 0.00 64.34 61.38 1awi n VAL 51 Cb 0.28 1.19 0.08 0.00 -1.47 0.00 0.00 33.84 33.91 1awi n VAL 51 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1awi s GLY 52 N -1.36 2.05 0.42 7.63 0.00 -0.52 -4.93 107.32 110.61 1awi s GLY 52 Ca 0.23 0.56 0.23 0.00 0.00 0.00 0.00 44.72 45.74 1awi s GLY 52 CO 0.22 0.93 1.64 0.50 0.00 0.00 0.00 173.10 176.39 1awi h LYS 53 N -0.44 0.00 -5.78 2.90 6.56 -1.91 -3.42 116.57 114.48 1awi h LYS 53 Ca -0.46 0.00 -0.62 0.00 -1.06 0.00 0.00 60.65 58.51 1awi h LYS 53 Cb 1.25 0.00 -0.13 0.00 -0.57 0.00 0.00 32.23 32.79 1awi h LYS 53 CO 0.52 0.14 0.47 0.34 -2.06 0.00 0.00 179.45 178.86 1awi s ASP 54 N -6.20 6.35 -0.20 0.86 2.15 -1.26 -4.91 116.67 113.47 1awi s ASP 54 Ca 0.05 -0.33 0.09 0.00 0.43 0.00 0.00 52.55 52.79 1awi s ASP 54 Cb 0.07 -2.41 0.57 0.00 -0.30 0.00 0.00 42.92 40.84 1awi s ASP 54 CO 0.67 -1.12 1.44 0.54 -0.17 0.00 0.00 175.17 176.53 1awi n ARG 55 N 7.16 3.45 0.05 4.34 5.12 -1.26 -4.67 116.66 130.86 1awi n ARG 55 Ca 0.01 -2.23 -0.11 0.00 -1.93 0.00 0.00 57.85 53.59 1awi n ARG 55 Cb 0.47 -2.01 -0.05 0.00 -1.16 0.00 0.00 32.46 29.71 1awi n ARG 55 CO 0.00 0.00 0.00 0.77 -1.93 0.00 0.00 177.63 176.47 1awi h SER 56 N 2.47 -0.31 -0.22 0.55 0.02 -1.99 -3.17 113.55 110.91 1awi h SER 56 Ca 0.08 0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 61.06 1awi h SER 56 Cb 1.70 0.13 -0.01 0.00 0.14 0.00 0.00 62.40 64.36 1awi h SER 56 CO 0.43 -0.16 0.08 0.28 -1.14 0.00 0.00 176.83 176.33 1awi h SER 57 N -0.19 0.36 -0.50 3.07 0.02 -1.91 -3.00 113.55 111.40 1awi h SER 57 Ca 0.04 -0.04 0.10 0.00 -0.84 0.00 0.00 61.79 61.05 1awi h SER 57 Cb 0.23 -0.09 -0.10 0.00 0.14 0.00 0.00 62.40 62.59 1awi h SER 57 CO -0.10 0.35 -0.12 -0.26 -1.14 0.00 0.00 176.83 175.56 1awi h PHE 58 N 0.39 -0.26 -0.02 3.45 -1.00 -1.68 0.39 116.94 118.22 1awi h PHE 58 Ca 0.10 0.05 0.00 0.00 2.81 0.00 0.00 57.97 60.92 1awi h PHE 58 Cb 0.13 0.19 0.00 0.00 3.61 0.00 0.00 35.95 39.89 1awi h PHE 58 CO 0.00 -0.21 0.00 0.66 -1.61 0.00 0.00 178.31 177.15 1awi n TYR 59 N -5.36 0.02 -0.09 -0.55 4.01 -1.15 -1.59 117.16 112.46 1awi n TYR 59 Ca 0.05 -0.01 -0.14 0.00 -0.16 0.00 0.00 57.90 57.64 1awi n TYR 59 Cb 0.27 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.23 1awi n TYR 59 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1awi h VAL 60 N 0.85 0.59 0.00 -0.72 2.07 -0.14 -3.46 116.25 115.43 1awi h VAL 60 Ca 0.00 -1.68 -0.11 0.00 0.82 0.00 0.00 66.70 65.73 1awi h VAL 60 Cb 0.18 1.35 -0.10 0.00 -1.52 0.00 0.00 31.29 31.21 1awi h VAL 60 CO 0.00 0.20 -0.19 -0.46 0.02 0.00 0.00 177.57 177.14 1awi n ASN 61 N -4.54 -0.90 0.00 0.57 6.94 -0.49 -5.10 115.26 111.74 1awi n ASN 61 Ca -0.19 -1.69 0.00 0.00 -0.02 0.00 0.00 54.58 52.68 1awi n ASN 61 Cb 0.47 0.39 0.00 0.00 -2.36 0.00 0.00 39.78 38.28 1awi n ASN 61 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1awi n GLY 62 N -0.73 -0.72 3.83 4.83 0.00 -0.62 -4.92 105.19 106.87 1awi n GLY 62 Ca -0.15 -1.16 -0.07 0.00 0.00 0.00 0.00 46.02 44.64 1awi n GLY 62 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1awi s LEU 63 N 0.00 -0.25 0.12 0.99 0.05 -0.92 -3.99 118.68 114.67 1awi s LEU 63 Ca 0.00 -0.59 0.08 0.00 0.05 0.00 0.00 54.13 53.67 1awi s LEU 63 Cb 0.00 2.69 -0.04 0.00 -2.05 0.00 0.00 46.19 46.79 1awi s LEU 63 CO 0.00 -1.32 -0.15 0.42 -0.55 0.00 0.00 176.35 174.74 1awi s THR 64 N -3.92 3.02 -0.22 5.48 -4.23 -1.26 0.13 115.64 114.64 1awi s THR 64 Ca 0.11 -1.45 0.00 0.00 -1.18 0.00 0.00 61.69 59.17 1awi s THR 64 Cb -0.06 -2.40 0.06 0.00 1.34 0.00 0.00 72.50 71.44 1awi s THR 64 CO 0.06 0.09 -0.04 -0.76 -0.54 0.00 0.00 174.62 173.43 1awi s LEU 65 N -2.22 2.27 -1.44 4.79 1.02 0.94 -4.72 118.68 119.33 1awi s LEU 65 Ca 0.19 -1.09 -0.05 0.00 0.02 0.00 0.00 54.13 53.21 1awi s LEU 65 Cb -0.11 -1.06 0.02 0.00 0.02 0.00 0.00 46.19 45.07 1awi s LEU 65 CO 0.12 -0.25 0.44 0.61 0.02 0.00 0.00 176.35 177.29 1awi n GLY 66 N 4.75 -0.51 0.90 -3.19 0.00 -1.26 -0.82 105.19 105.07 1awi n GLY 66 Ca -0.11 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1awi n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1awi n GLY 67 N -1.28 2.96 3.65 -0.02 0.00 -1.26 -4.81 105.19 104.42 1awi n GLY 67 Ca -0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 1awi n GLY 67 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1awi s GLN 68 N -0.11 4.05 0.25 1.61 2.00 0.00 -4.92 119.66 122.55 1awi s GLN 68 Ca 0.00 1.77 -0.30 0.00 -2.00 0.00 0.00 55.36 54.83 1awi s GLN 68 Cb 0.00 -3.92 -0.09 0.00 0.80 0.00 0.00 33.01 29.80 1awi s GLN 68 CO 0.00 -0.97 0.96 -1.59 -0.50 0.00 0.00 175.29 173.19 1awi s LYS 69 N 4.08 4.81 0.09 1.67 -2.85 -1.26 -0.04 119.74 126.24 1awi s LYS 69 Ca 0.65 1.52 0.02 0.00 -1.00 0.00 0.00 55.97 57.16 1awi s LYS 69 Cb -0.25 -3.24 -0.04 0.00 -2.06 0.00 0.00 37.83 32.24 1awi s LYS 69 CO 0.24 0.46 -0.07 0.00 0.10 0.00 0.00 175.35 176.09 1awi s SER 71 N -2.78 5.88 -0.40 0.00 0.01 0.43 -2.17 113.70 114.66 1awi s SER 71 Ca 0.08 0.32 -0.22 0.00 1.31 0.00 0.00 55.95 57.44 1awi s SER 71 Cb 0.03 -1.82 0.01 0.00 0.21 0.00 0.00 66.02 64.45 1awi s SER 71 CO -0.04 0.39 0.70 -0.69 0.41 0.00 0.00 173.24 174.01 1awi s VAL 72 N -0.91 4.78 -0.01 3.43 1.01 -1.26 -1.81 120.40 125.64 1awi s VAL 72 Ca 0.14 0.49 -0.13 0.00 0.00 0.00 0.00 61.98 62.48 1awi s VAL 72 Cb -0.12 -4.19 -0.33 0.00 0.00 0.00 0.00 36.38 31.74 1awi s VAL 72 CO 0.03 -0.51 0.83 0.40 0.00 0.00 0.00 175.10 175.86 1awi h ILE 73 N 5.82 1.11 -2.10 2.22 5.03 -0.98 -3.47 117.51 125.14 1awi h ILE 73 Ca -0.25 -2.61 -0.01 0.00 -0.12 0.00 0.00 64.86 61.87 1awi h ILE 73 Cb 1.10 2.90 -0.22 0.00 -3.03 0.00 0.00 36.82 37.57 1awi h ILE 73 CO 0.89 0.84 -0.02 -0.60 -0.68 0.00 0.00 178.15 178.59 1awi s ARG 74 N -2.59 0.68 -0.32 2.37 3.52 -0.90 -4.97 118.95 116.73 1awi s ARG 74 Ca -0.12 1.14 -0.00 0.00 -0.13 0.00 0.00 55.73 56.61 1awi s ARG 74 Cb 0.05 0.15 0.07 0.00 -1.56 0.00 0.00 34.95 33.66 1awi s ARG 74 CO 0.90 -0.14 0.03 0.34 -0.81 0.00 0.00 175.30 175.62 1awi s ASP 75 N 1.46 4.87 -0.05 -2.12 2.15 -1.26 -0.49 116.67 121.23 1awi s ASP 75 Ca -0.09 -1.61 0.07 0.00 0.43 0.00 0.00 52.55 51.34 1awi s ASP 75 Cb -0.05 -1.69 0.10 0.00 -0.30 0.00 0.00 42.92 40.97 1awi s ASP 75 CO -0.17 -0.33 1.01 -1.20 -0.17 0.00 0.00 175.17 174.32 1awi n SER 76 N 4.52 0.94 -0.21 -0.34 7.64 0.56 -4.89 113.62 121.84 1awi n SER 76 Ca -0.08 -2.30 0.01 0.00 1.01 0.00 0.00 58.87 57.51 1awi n SER 76 Cb 0.42 -0.25 0.12 0.00 -1.01 0.00 0.00 64.21 63.50 1awi n SER 76 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1awi h LEU 77 N 0.00 0.12 -0.07 -3.43 7.12 -1.49 -0.99 115.31 116.57 1awi h LEU 77 Ca 0.00 0.10 0.00 0.00 0.13 0.00 0.00 57.88 58.11 1awi h LEU 77 Cb 1.17 0.11 0.00 0.00 -0.53 0.00 0.00 40.66 41.42 1awi h LEU 77 CO 0.00 0.06 -0.39 0.18 -0.13 0.00 0.00 178.44 178.16 1awi n LEU 78 N -5.06 0.50 -4.65 2.25 4.32 -1.26 -4.26 117.00 108.83 1awi n LEU 78 Ca 0.10 0.03 -0.43 0.00 -0.02 0.00 0.00 56.01 55.69 1awi n LEU 78 Cb 0.33 -0.26 -0.02 0.00 -1.62 0.00 0.00 43.42 41.84 1awi n LEU 78 CO 0.19 0.12 0.89 -1.58 -1.22 0.00 0.00 177.39 175.79 1awi s GLN 79 N -2.92 4.18 0.37 3.23 -0.44 -0.40 -4.92 119.66 118.77 1awi s GLN 79 Ca 0.14 1.21 -0.26 0.00 -2.50 0.00 0.00 55.36 53.94 1awi s GLN 79 Cb 0.18 -3.67 -0.12 0.00 -1.64 0.00 0.00 33.01 27.76 1awi s GLN 79 CO 0.65 -0.70 1.10 -0.40 0.50 0.00 0.00 175.29 176.43 1awi n ASP 80 N 6.45 1.72 0.00 6.67 5.68 -1.26 -0.52 116.55 135.29 1awi n ASP 80 Ca 0.11 1.11 0.00 0.00 -0.50 0.00 0.00 54.79 55.52 1awi n ASP 80 Cb 0.47 -1.38 0.00 0.00 -1.14 0.00 0.00 41.12 39.07 1awi n ASP 80 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1awi n GLY 81 N 1.07 2.96 0.85 6.12 0.00 -1.26 -4.66 105.19 110.26 1awi n GLY 81 Ca 0.08 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.06 1awi n GLY 81 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1awi n GLU 82 N -1.99 0.10 -4.23 1.61 4.07 -0.90 -5.03 120.64 114.27 1awi n GLU 82 Ca 0.00 0.04 -0.37 0.00 -0.06 0.00 0.00 57.16 56.77 1awi n GLU 82 Cb 0.00 -0.68 -0.07 0.00 -0.06 0.00 0.00 31.44 30.63 1awi n GLU 82 CO 0.00 0.00 0.00 1.97 -0.06 0.00 0.00 177.13 179.04 1awi n PHE 83 N -3.38 -1.06 -4.07 4.31 1.16 0.33 -4.93 117.46 109.82 1awi n PHE 83 Ca -0.07 0.61 -0.11 0.00 -1.87 0.00 0.00 57.45 56.00 1awi n PHE 83 Cb 0.41 -1.80 -0.11 0.00 -1.61 0.00 0.00 39.48 36.36 1awi n PHE 83 CO 0.00 0.00 0.00 -1.54 -1.87 0.00 0.00 176.76 173.35 1awi s SER 84 N -3.22 0.76 -0.04 5.98 1.04 -1.09 -1.93 113.70 115.20 1awi s SER 84 Ca 0.64 -0.67 -0.02 0.00 0.48 0.00 0.00 55.95 56.38 1awi s SER 84 Cb -0.37 0.08 0.03 0.00 0.10 0.00 0.00 66.02 65.86 1awi s SER 84 CO 0.92 -0.31 0.07 -0.32 0.98 0.00 0.00 173.24 174.58 1awi s MET 85 N -2.21 -0.06 -0.15 4.02 0.00 0.36 -0.32 119.30 120.94 1awi s MET 85 Ca -0.05 0.38 -0.15 0.00 0.00 0.00 0.00 55.69 55.87 1awi s MET 85 Cb -0.05 -0.45 -0.05 0.00 0.00 0.00 0.00 34.83 34.28 1awi s MET 85 CO -0.02 -0.31 0.34 -0.51 0.00 0.00 0.00 175.02 174.52 1awi s ASP 86 N 2.05 6.50 0.28 1.11 1.11 0.35 -1.36 116.67 126.73 1awi s ASP 86 Ca 0.03 0.59 0.02 0.00 0.18 0.00 0.00 52.55 53.36 1awi s ASP 86 Cb -0.12 -2.21 -0.01 0.00 1.07 0.00 0.00 42.92 41.66 1awi s ASP 86 CO -0.03 0.09 0.06 0.18 1.18 0.00 0.00 175.17 176.64 1awi n LEU 87 N 3.53 0.00 -3.64 1.23 4.32 0.38 -0.32 117.00 122.50 1awi n LEU 87 Ca -0.11 -2.00 -0.07 0.00 -0.02 0.00 0.00 56.01 53.81 1awi n LEU 87 Cb 0.52 0.49 -0.07 0.00 -1.62 0.00 0.00 43.42 42.74 1awi n LEU 87 CO 0.40 -0.30 0.32 -0.60 -1.22 0.00 0.00 177.39 176.00 1awi s ARG 88 N -3.06 0.68 0.63 3.23 3.00 -0.75 -2.70 118.95 119.97 1awi s ARG 88 Ca 0.08 1.22 -0.17 0.00 -1.00 0.00 0.00 55.73 55.86 1awi s ARG 88 Cb 0.00 0.20 -0.02 0.00 0.00 0.00 0.00 34.95 35.14 1awi s ARG 88 CO 0.06 -0.16 1.17 0.95 0.00 0.00 0.00 175.30 177.32 1awi s THR 89 N 1.75 2.83 -0.11 4.11 -4.23 -0.52 -0.43 115.64 119.03 1awi s THR 89 Ca -0.10 0.46 -0.05 0.00 -1.18 0.00 0.00 61.69 60.82 1awi s THR 89 Cb -0.06 -3.09 -0.04 0.00 1.34 0.00 0.00 72.50 70.66 1awi s THR 89 CO -0.19 -0.16 0.09 -0.54 -0.54 0.00 0.00 174.62 173.27 1awi s LYS 90 N -3.62 3.35 0.26 3.99 1.02 -0.18 -4.50 119.74 120.05 1awi s LYS 90 Ca 0.73 -0.23 0.07 0.00 0.02 0.00 0.00 55.97 56.57 1awi s LYS 90 Cb -0.26 -3.07 -0.05 0.00 -0.52 0.00 0.00 37.83 33.92 1awi s LYS 90 CO 0.36 0.72 -0.09 -1.54 -0.92 0.00 0.00 175.35 173.88 1awi s SER 91 N -0.87 2.79 -0.07 2.83 1.04 -1.26 -4.80 113.70 113.36 1awi s SER 91 Ca 0.14 -1.14 0.04 0.00 0.48 0.00 0.00 55.95 55.46 1awi s SER 91 Cb -0.12 -0.17 -0.02 0.00 0.10 0.00 0.00 66.02 65.81 1awi s SER 91 CO 0.03 -0.28 -0.19 -0.89 0.98 0.00 0.00 173.24 172.89 1awi s THR 92 N -2.96 2.60 0.00 2.02 2.01 -1.26 -4.98 115.64 113.06 1awi s THR 92 Ca 0.28 -0.87 0.00 0.00 0.31 0.00 0.00 61.69 61.41 1awi s THR 92 Cb 0.02 -2.00 0.00 0.00 0.01 0.00 0.00 72.50 70.53 1awi s THR 92 CO 0.11 0.57 0.00 0.61 -0.69 0.00 0.00 174.62 175.22 1awi n GLY 93 N 2.83 -1.70 1.53 4.40 0.00 -1.26 -3.65 105.19 107.34 1awi n GLY 93 Ca -0.17 -1.33 -0.10 0.00 0.00 0.00 0.00 46.02 44.42 1awi n GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1awi n GLY 94 N 0.00 3.10 3.79 -0.02 0.00 -1.26 -4.89 105.19 105.91 1awi n GLY 94 Ca 0.00 -0.49 -0.35 0.00 0.00 0.00 0.00 46.02 45.18 1awi n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1awi s ALA 95 N -1.35 2.91 0.84 4.61 0.00 -1.24 -5.01 121.76 122.52 1awi s ALA 95 Ca 0.23 0.65 -0.11 0.00 0.00 0.00 0.00 51.96 52.73 1awi s ALA 95 Cb 0.19 -3.27 0.10 0.00 0.00 0.00 0.00 23.12 20.14 1awi s ALA 95 CO 0.04 -0.33 1.09 -1.25 0.00 0.00 0.00 175.76 175.31 1awi s PRO 96 N -3.07 1.70 0.05 0.00 0.04 -1.26 -4.79 135.00 127.68 1awi s PRO 96 Ca 0.66 0.96 0.08 0.00 0.04 0.00 0.00 61.00 62.73 1awi s PRO 96 Cb -0.18 -1.85 -0.03 0.00 0.04 0.00 0.00 34.50 32.48 1awi s PRO 96 CO 0.22 -1.97 -0.22 0.95 0.04 0.00 0.00 177.00 176.02 1awi s THR 97 N -2.93 2.49 0.10 1.26 -4.23 -1.26 -4.75 115.64 106.32 1awi s THR 97 Ca 0.62 -1.31 0.09 0.00 -1.18 0.00 0.00 61.69 59.90 1awi s THR 97 Cb -0.17 -2.03 -0.03 0.00 1.34 0.00 0.00 72.50 71.61 1awi s THR 97 CO 0.56 0.33 -0.22 -0.36 -0.54 0.00 0.00 174.62 174.39 1awi s PHE 98 N -0.89 1.89 0.16 3.99 0.08 -1.26 -4.81 117.98 117.14 1awi s PHE 98 Ca 0.13 -0.41 -0.30 0.00 0.12 0.00 0.00 56.93 56.48 1awi s PHE 98 Cb -0.10 -1.05 -0.07 0.00 -0.57 0.00 0.00 43.02 41.23 1awi s PHE 98 CO 0.04 0.21 1.00 -0.80 -0.10 0.00 0.00 175.22 175.57 1awi s ASN 99 N -1.81 7.45 -0.02 1.36 0.01 -1.26 -1.43 114.94 119.23 1awi s ASN 99 Ca 0.08 1.93 0.04 0.00 -0.71 0.00 0.00 52.86 54.19 1awi s ASN 99 Cb -0.10 -2.60 -0.01 0.00 0.41 0.00 0.00 41.25 38.96 1awi s ASN 99 CO 0.04 -0.07 -0.14 -0.69 -1.51 0.00 0.00 177.10 174.73 1awi s VAL 100 N -0.32 1.10 0.02 1.60 1.01 -1.10 -0.97 120.40 121.74 1awi s VAL 100 Ca 0.47 -0.58 0.05 0.00 0.00 0.00 0.00 61.98 61.92 1awi s VAL 100 Cb -0.26 -0.93 -0.02 0.00 0.00 0.00 0.00 36.38 35.17 1awi s VAL 100 CO 0.32 0.32 -0.16 -0.89 0.00 0.00 0.00 175.10 174.69 1awi s THR 101 N -0.19 1.26 -0.08 3.92 2.01 -0.79 -0.47 115.64 121.29 1awi s THR 101 Ca 0.03 -0.88 0.00 0.00 0.31 0.00 0.00 61.69 61.15 1awi s THR 101 Cb -0.07 -1.09 0.02 0.00 0.01 0.00 0.00 72.50 71.37 1awi s THR 101 CO 0.00 0.20 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.38 1awi s VAL 102 N -0.61 0.81 0.19 3.82 1.01 -0.46 -2.20 120.40 122.95 1awi s VAL 102 Ca 0.05 -0.19 0.11 0.00 0.00 0.00 0.00 61.98 61.95 1awi s VAL 102 Cb -0.07 -0.84 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 1awi s VAL 102 CO 0.01 0.32 -0.24 0.42 0.00 0.00 0.00 175.10 175.60 1awi s THR 103 N 1.47 2.32 0.07 3.92 -4.23 -0.84 -0.49 115.64 117.87 1awi s THR 103 Ca -0.01 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.58 1awi s THR 103 Cb -0.13 -2.10 -0.03 0.00 1.34 0.00 0.00 72.50 71.58 1awi s THR 103 CO -0.04 -0.10 -0.21 -0.75 -0.54 0.00 0.00 174.62 172.98 1awi s LYS 104 N -2.61 1.26 0.00 3.99 2.20 -0.81 -0.62 119.74 123.16 1awi s LYS 104 Ca 0.20 -1.03 0.00 0.00 -0.36 0.00 0.00 55.97 54.78 1awi s LYS 104 Cb -0.08 -1.44 0.00 0.00 -1.51 0.00 0.00 37.83 34.80 1awi s LYS 104 CO 0.09 0.35 0.00 0.25 -0.36 0.00 0.00 175.35 175.69 1awi n THR 105 N 1.53 0.00 -0.06 3.43 -2.24 0.66 -4.91 114.28 112.69 1awi n THR 105 Ca -0.18 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.46 1awi n THR 105 Cb 0.53 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.70 1awi n THR 105 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1awi h ASP 106 N 0.00 0.52 0.00 3.42 3.32 -1.91 -3.38 116.42 118.40 1awi h ASP 106 Ca 0.00 -0.53 0.00 0.00 0.02 0.00 0.00 57.03 56.52 1awi h ASP 106 Cb 0.00 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.40 1awi h ASP 106 CO 0.00 0.95 0.00 0.29 -1.72 0.00 0.00 179.24 178.76 1awi n LYS 107 N -4.40 2.94 -4.32 3.56 5.02 -0.73 -4.89 118.16 115.34 1awi n LYS 107 Ca -0.06 -0.24 -0.18 0.00 -2.02 0.00 0.00 58.31 55.80 1awi n LYS 107 Cb 0.45 -0.74 -0.10 0.00 -0.02 0.00 0.00 35.03 34.62 1awi n LYS 107 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1awi s THR 108 N -0.49 1.63 -0.10 -0.18 2.01 -1.21 -3.17 115.64 114.12 1awi s THR 108 Ca 0.00 -2.11 0.03 0.00 0.31 0.00 0.00 61.69 59.93 1awi s THR 108 Cb 0.00 -1.94 0.00 0.00 0.01 0.00 0.00 72.50 70.57 1awi s THR 108 CO 0.00 -0.57 -0.21 -0.76 -0.69 0.00 0.00 174.62 172.39 1awi s LEU 109 N -3.13 2.00 -0.19 4.42 1.43 0.90 -0.25 118.68 123.86 1awi s LEU 109 Ca 0.19 -0.51 -0.04 0.00 -1.03 0.00 0.00 54.13 52.74 1awi s LEU 109 Cb -0.01 -1.30 -0.02 0.00 0.03 0.00 0.00 46.19 44.89 1awi s LEU 109 CO 0.06 0.12 -0.04 -0.69 0.23 0.00 0.00 176.35 176.03 1awi s VAL 110 N 0.47 3.67 -0.05 -1.59 1.01 0.21 -0.72 120.40 123.41 1awi s VAL 110 Ca -0.16 -0.42 0.06 0.00 0.00 0.00 0.00 61.98 61.46 1awi s VAL 110 Cb -0.17 -2.64 -0.02 0.00 0.00 0.00 0.00 36.38 33.55 1awi s VAL 110 CO 0.07 0.45 -0.23 -0.76 0.00 0.00 0.00 175.10 174.63 1awi s LEU 111 N 0.90 2.20 -0.02 3.92 1.02 -0.52 -1.98 118.68 124.20 1awi s LEU 111 Ca -0.00 -0.44 -0.00 0.00 0.02 0.00 0.00 54.13 53.71 1awi s LEU 111 Cb -0.15 -1.40 0.03 0.00 0.02 0.00 0.00 46.19 44.69 1awi s LEU 111 CO 0.01 0.28 0.03 -0.76 0.02 0.00 0.00 176.35 175.94 1awi s LEU 112 N -0.39 1.16 -0.19 1.79 1.43 -0.94 -1.45 118.68 120.10 1awi s LEU 112 Ca 0.03 0.05 -0.00 0.00 -1.03 0.00 0.00 54.13 53.18 1awi s LEU 112 Cb -0.12 -0.04 0.01 0.00 0.03 0.00 0.00 46.19 46.07 1awi s LEU 112 CO 0.02 -0.12 -0.15 -0.32 0.23 0.00 0.00 176.35 176.01 1awi s MET 113 N 0.96 3.11 0.80 1.70 -2.45 -0.75 -1.89 119.30 120.78 1awi s MET 113 Ca -0.08 -0.77 -0.12 0.00 -1.25 0.00 0.00 55.69 53.47 1awi s MET 113 Cb -0.11 -2.70 0.07 0.00 1.25 0.00 0.00 34.83 33.34 1awi s MET 113 CO -0.03 -0.20 1.12 0.20 1.05 0.00 0.00 175.02 177.16 1awi s GLY 114 N 1.32 1.61 0.71 2.11 0.00 -0.15 -0.65 107.32 112.28 1awi s GLY 114 Ca 0.05 -0.35 -0.06 0.00 0.00 0.00 0.00 44.72 44.36 1awi s GLY 114 CO -0.10 0.10 1.01 0.54 0.00 0.00 0.00 173.10 174.65 1awi s LYS 115 N -5.28 2.08 0.33 2.90 1.02 -0.41 -4.42 119.74 115.95 1awi s LYS 115 Ca 0.61 -0.39 -0.29 0.00 0.02 0.00 0.00 55.97 55.91 1awi s LYS 115 Cb -0.13 -2.19 -0.11 0.00 -0.52 0.00 0.00 37.83 34.87 1awi s LYS 115 CO 0.53 -1.29 1.55 -2.00 -0.92 0.00 0.00 175.35 173.22 1awi s GLU 116 N -5.23 4.12 0.00 1.68 2.12 -1.26 -2.64 118.70 117.49 1awi s GLU 116 Ca 0.61 2.57 0.00 0.00 0.36 0.00 0.00 54.97 58.52 1awi s GLU 116 Cb -0.10 -3.00 0.00 0.00 0.26 0.00 0.00 34.13 31.29 1awi s GLU 116 CO 0.45 -0.59 0.00 0.41 -0.54 0.00 0.00 175.26 174.99 1awi n GLY 117 N 1.49 2.20 3.71 -1.50 0.00 -1.26 -5.03 105.19 104.80 1awi n GLY 117 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1awi n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1awi s VAL 118 N -2.35 4.95 0.30 1.61 1.01 -1.08 -5.02 120.40 119.82 1awi s VAL 118 Ca 0.00 1.75 -0.29 0.00 0.00 0.00 0.00 61.98 63.44 1awi s VAL 118 Cb 0.00 -4.18 -0.10 0.00 0.00 0.00 0.00 36.38 32.10 1awi s VAL 118 CO 0.00 0.19 1.21 -1.38 0.00 0.00 0.00 175.10 175.12 1awi s HIS 119 N 1.04 3.30 0.47 5.22 -3.43 -1.26 -4.76 115.29 115.87 1awi s HIS 119 Ca 0.44 1.54 0.23 0.00 -0.80 0.00 0.00 55.06 56.47 1awi s HIS 119 Cb -0.19 -3.49 1.25 0.00 -1.43 0.00 0.00 32.58 28.71 1awi s HIS 119 CO 0.22 -1.26 1.89 0.78 -2.00 0.00 0.00 174.74 174.37 1awi h GLY 120 N 3.69 0.47 1.64 -1.38 0.00 -1.96 0.35 103.07 105.88 1awi h GLY 120 Ca -0.48 -0.10 -0.05 0.00 0.00 0.00 0.00 47.33 46.70 1awi h GLY 120 CO 0.67 0.00 -0.04 -1.33 0.00 0.00 0.00 176.54 175.84 1awi h GLY 121 N 0.22 0.49 1.13 4.60 0.00 -1.99 0.13 103.07 107.65 1awi h GLY 121 Ca 0.42 -0.29 -0.19 0.00 0.00 0.00 0.00 47.33 47.26 1awi h GLY 121 CO -0.09 0.27 -0.60 -2.00 0.00 0.00 0.00 176.54 174.12 1awi h LEU 122 N 0.43 0.95 -0.79 3.11 6.46 -1.31 -2.50 115.31 121.66 1awi h LEU 122 Ca 0.09 -0.56 -0.08 0.00 -0.12 0.00 0.00 57.88 57.21 1awi h LEU 122 Cb 0.35 -0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 39.98 1awi h LEU 122 CO 0.01 1.34 0.05 0.40 -0.62 0.00 0.00 178.44 179.62 1awi h ILE 123 N 0.60 1.25 -0.61 4.05 1.08 -1.16 -2.68 117.51 120.06 1awi h ILE 123 Ca -0.01 -1.04 -0.10 0.00 -0.39 0.00 0.00 64.86 63.33 1awi h ILE 123 Cb 1.22 0.76 -0.02 0.00 -3.07 0.00 0.00 36.82 35.71 1awi h ILE 123 CO 0.13 0.38 -0.00 -1.13 -0.69 0.00 0.00 178.15 176.84 1awi h ASN 124 N 0.89 1.05 -0.13 1.72 -0.73 -0.93 -2.51 115.58 114.94 1awi h ASN 124 Ca 0.17 -0.30 -0.03 0.00 1.87 0.00 0.00 56.30 58.02 1awi h ASN 124 Cb 0.46 -0.28 -0.00 0.00 0.27 0.00 0.00 38.32 38.76 1awi h ASN 124 CO 0.02 1.10 -0.02 0.50 -0.37 0.00 0.00 177.43 178.65 1awi h LYS 125 N 0.98 0.24 -0.52 6.67 3.64 -1.32 -0.45 116.57 125.82 1awi h LYS 125 Ca 0.17 -0.09 0.06 0.00 -1.27 0.00 0.00 60.65 59.52 1awi h LYS 125 Cb 0.56 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.31 1awi h LYS 125 CO 0.03 0.52 0.23 0.87 -2.27 0.00 0.00 179.45 178.84 1awi h LYS 126 N -0.06 0.44 0.19 1.90 1.57 -1.47 0.23 116.57 119.38 1awi h LYS 126 Ca 0.03 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1awi h LYS 126 Cb 0.42 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1awi h LYS 126 CO 0.01 0.29 -0.09 0.00 -0.57 0.00 0.00 179.45 179.09 1awi h TYR 128 N -0.51 1.15 -0.21 0.00 3.20 -0.94 0.66 116.97 120.32 1awi h TYR 128 Ca -0.03 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.76 1awi h TYR 128 Cb 0.39 -0.38 -0.01 0.00 1.54 0.00 0.00 36.73 38.27 1awi h TYR 128 CO 0.01 0.59 -0.33 0.93 -1.64 0.00 0.00 178.16 177.71 1awi h GLU 129 N 1.12 0.45 -0.32 1.82 5.08 -0.87 -0.29 114.58 121.56 1awi h GLU 129 Ca 0.42 -0.19 -0.16 0.00 -1.00 0.00 0.00 59.36 58.43 1awi h GLU 129 Cb 0.20 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1awi h GLU 129 CO -0.17 0.73 -0.43 1.98 -1.00 0.00 0.00 179.01 180.12 1awi h MET 130 N 0.38 0.82 -0.19 2.33 4.05 -0.33 -2.74 114.93 119.25 1awi h MET 130 Ca 0.05 -0.45 -0.11 0.00 -0.28 0.00 0.00 59.70 58.90 1awi h MET 130 Cb 0.77 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.58 1awi h MET 130 CO 0.06 1.09 -0.36 0.00 0.23 0.00 0.00 176.91 177.92 1awi h ALA 131 N 0.85 1.01 -0.25 0.39 0.00 -0.55 -2.59 119.26 118.12 1awi h ALA 131 Ca 0.04 -0.40 -0.16 0.00 0.00 0.00 0.00 54.91 54.39 1awi h ALA 131 Cb 1.01 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 1awi h ALA 131 CO 0.10 0.60 -0.51 0.77 0.00 0.00 0.00 179.25 180.21 1awi h SER 132 N 0.36 0.78 -0.30 0.00 0.02 -1.03 -2.05 113.55 111.33 1awi h SER 132 Ca 0.04 -0.40 -0.01 0.00 -0.84 0.00 0.00 61.79 60.58 1awi h SER 132 Cb 0.81 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.11 1awi h SER 132 CO 0.07 1.14 0.14 -0.74 -1.14 0.00 0.00 176.83 176.30 1awi h HIS 133 N 0.55 0.44 0.01 3.45 6.17 -1.39 -2.35 115.15 122.04 1awi h HIS 133 Ca 0.02 -0.02 -0.00 0.00 0.71 0.00 0.00 60.37 61.08 1awi h HIS 133 Cb 1.07 -0.14 0.00 0.00 2.52 0.00 0.00 27.41 30.87 1awi h HIS 133 CO 0.05 0.40 -0.00 -0.07 0.71 0.00 0.00 177.93 179.02 1awi h LEU 134 N 0.35 -0.01 -2.32 0.26 4.07 -1.44 -2.84 115.31 113.38 1awi h LEU 134 Ca 0.10 -0.11 -0.01 0.00 0.08 0.00 0.00 57.88 57.94 1awi h LEU 134 Cb 0.13 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.87 1awi h LEU 134 CO -0.01 0.11 -0.04 0.08 -1.08 0.00 0.00 178.44 177.49 1awi h ARG 135 N -0.12 0.00 -0.00 1.13 0.11 -1.31 0.49 114.38 114.68 1awi h ARG 135 Ca -0.00 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 59.95 1awi h ARG 135 Cb 0.12 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.18 1awi h ARG 135 CO 0.00 0.04 -0.64 0.00 0.10 0.00 0.00 179.97 179.48 1awi h ARG 136 N 0.00 0.00 -0.57 0.08 3.08 -1.19 -2.64 114.38 113.14 1awi h ARG 136 Ca -0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1awi h ARG 136 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.23 1awi h ARG 136 CO 0.01 0.64 0.00 0.43 -1.07 0.00 0.00 179.97 179.97 1awi n SER 137 N -3.78 2.96 -2.85 7.04 7.64 0.04 -4.89 113.62 119.77 1awi n SER 137 Ca -0.01 -2.24 -0.19 0.00 1.01 0.00 0.00 58.87 57.45 1awi n SER 137 Cb 0.63 -0.43 0.06 0.00 -1.01 0.00 0.00 64.21 63.46 1awi n SER 137 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1awi n GLN 138 N 0.60 -5.90 0.00 1.43 1.13 -0.99 -5.07 117.38 108.58 1awi n GLN 138 Ca 0.15 0.66 0.01 0.00 -1.94 0.00 0.00 57.00 55.89 1awi n GLN 138 Cb 0.56 -5.17 0.01 0.00 0.11 0.00 0.00 30.24 25.74 1awi n GLN 138 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28