#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 -0.31 1.61 4.06 -2.02 -2.95 115.95 116.34 1awi h TRP 3 Ca 0.00 0.00 0.05 0.00 2.06 0.00 0.00 58.89 61.00 1awi h TRP 3 Cb 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.14 1awi h TRP 3 CO 0.00 0.00 0.21 -2.95 -3.56 0.00 0.00 178.44 172.14 1awi h ASN 4 N 0.00 0.16 0.16 -3.49 -1.07 -1.97 -1.55 115.58 107.83 1awi h ASN 4 Ca 0.00 -0.00 -0.08 0.00 0.07 0.00 0.00 56.30 56.29 1awi h ASN 4 Cb 0.27 -0.04 -0.01 0.00 -2.07 0.00 0.00 38.32 36.47 1awi h ASN 4 CO 0.00 0.11 -0.30 0.00 0.07 0.00 0.00 177.43 177.30 1awi h ALA 5 N 1.84 1.27 -0.36 4.14 0.00 -1.95 -2.02 119.26 122.17 1awi h ALA 5 Ca 0.14 -0.33 -0.13 0.00 0.00 0.00 0.00 54.91 54.59 1awi h ALA 5 Cb 0.31 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1awi h ALA 5 CO -0.02 0.50 -0.28 1.88 0.00 0.00 0.00 179.25 181.33 1awi h TYR 6 N 0.20 0.96 -0.51 0.00 -1.99 -1.48 0.27 116.97 114.42 1awi h TYR 6 Ca 0.03 -0.27 -0.06 0.00 2.00 0.00 0.00 58.73 60.43 1awi h TYR 6 Cb 0.65 -0.21 -0.02 0.00 2.00 0.00 0.00 36.73 39.15 1awi h TYR 6 CO 0.01 1.05 0.10 0.82 -0.00 0.00 0.00 178.16 180.13 1awi h ILE 7 N 0.60 1.25 -0.74 -2.88 1.08 -1.49 -0.18 117.51 115.15 1awi h ILE 7 Ca 0.07 -0.91 -0.04 0.00 -0.39 0.00 0.00 64.86 63.59 1awi h ILE 7 Cb 0.85 0.86 -0.03 0.00 -3.07 0.00 0.00 36.82 35.43 1awi h ILE 7 CO 0.07 0.33 0.30 0.44 -0.69 0.00 0.00 178.15 178.60 1awi h ASP 8 N 0.71 1.02 0.14 1.72 3.32 -1.30 -1.65 116.42 120.39 1awi h ASP 8 Ca 0.16 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 1awi h ASP 8 Cb 0.38 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.66 1awi h ASP 8 CO 0.01 0.91 -0.07 -1.13 -1.72 0.00 0.00 179.24 177.24 1awi h ASN 9 N 1.07 -0.16 -0.87 6.45 -0.73 -0.54 -0.21 115.58 120.58 1awi h ASN 9 Ca 0.25 -0.06 0.02 0.00 1.87 0.00 0.00 56.30 58.38 1awi h ASN 9 Cb 0.21 0.04 -0.05 0.00 0.27 0.00 0.00 38.32 38.79 1awi h ASN 9 CO -0.02 -0.05 0.57 -0.07 -0.37 0.00 0.00 177.43 177.49 1awi h LEU 10 N -0.27 0.96 0.00 0.34 3.38 -0.88 -2.57 115.31 116.28 1awi h LEU 10 Ca -0.02 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1awi h LEU 10 Cb 0.21 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1awi h LEU 10 CO 0.03 0.67 -0.32 0.23 0.09 0.00 0.00 178.44 179.14 1awi n MET 11 N -4.43 0.19 -0.32 1.13 2.81 -0.63 -4.43 117.12 111.44 1awi n MET 11 Ca 0.11 0.10 0.16 0.00 -1.81 0.00 0.00 57.70 56.25 1awi n MET 11 Cb 0.07 -1.66 0.34 0.00 -0.71 0.00 0.00 33.22 31.26 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 2.67 1.55 0.00 3.04 0.00 -0.60 -1.47 119.26 124.45 1awi h ALA 12 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1awi h ALA 12 Cb 0.67 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1awi h ALA 12 CO 0.00 -0.39 0.00 -0.40 0.00 0.00 0.00 179.25 178.46 1awi n ASP 13 N -5.05 0.00 0.00 0.00 5.75 -1.26 -4.90 116.55 111.08 1awi n ASP 13 Ca 0.24 -1.17 0.00 0.00 -0.01 0.00 0.00 54.79 53.85 1awi n ASP 13 Cb 0.73 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.82 1awi n ASP 13 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1awi n GLY 14 N 0.64 0.13 0.05 6.12 0.00 -0.56 -4.84 105.19 106.73 1awi n GLY 14 Ca 0.14 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.28 1awi n GLY 14 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1awi n THR 15 N -2.21 0.25 -4.18 2.61 -2.24 -1.26 -4.93 114.28 102.31 1awi n THR 15 Ca 0.00 -0.23 -0.28 0.00 -2.27 0.00 0.00 64.05 61.27 1awi n THR 15 Cb 0.34 0.03 -0.08 0.00 -2.10 0.00 0.00 70.33 68.51 1awi n THR 15 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1awi n GLN 17 N 0.08 4.01 -3.55 0.00 10.64 0.97 -4.71 117.38 124.81 1awi n GLN 17 Ca -0.10 -0.08 -0.16 0.00 -1.83 0.00 0.00 57.00 54.83 1awi n GLN 17 Cb 0.54 -0.91 -0.06 0.00 -0.86 0.00 0.00 30.24 28.96 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 -1.70 -0.56 0.04 2.61 -1.08 -1.10 -4.97 116.67 109.91 1awi s ASP 18 Ca 0.04 0.50 -0.27 0.00 -0.52 0.00 0.00 52.55 52.30 1awi s ASP 18 Cb 0.06 0.51 0.07 0.00 -1.46 0.00 0.00 42.92 42.10 1awi s ASP 18 CO 0.32 -0.63 0.67 0.00 0.52 0.00 0.00 175.17 176.05 1awi s ALA 19 N -1.58 -1.70 -0.12 3.66 0.00 -1.26 -1.04 121.76 119.72 1awi s ALA 19 Ca -0.10 0.94 -0.30 0.00 0.00 0.00 0.00 51.96 52.50 1awi s ALA 19 Cb -0.01 0.40 0.11 0.00 0.00 0.00 0.00 23.12 23.62 1awi s ALA 19 CO 0.06 -0.57 0.90 0.00 0.00 0.00 0.00 175.76 176.15 1awi s ALA 20 N -2.45 -1.88 -0.17 0.00 0.00 -0.42 -2.13 121.76 114.69 1awi s ALA 20 Ca -0.04 1.50 0.01 0.00 0.00 0.00 0.00 51.96 53.42 1awi s ALA 20 Cb -0.01 -0.48 0.02 0.00 0.00 0.00 0.00 23.12 22.66 1awi s ALA 20 CO -0.02 -0.33 -0.19 0.42 0.00 0.00 0.00 175.76 175.64 1awi s ILE 21 N -1.17 1.98 -0.09 0.00 1.01 -0.54 -0.18 121.20 122.21 1awi s ILE 21 Ca -0.04 -0.89 0.04 0.00 0.00 0.00 0.00 60.65 59.75 1awi s ILE 21 Cb -0.00 -1.80 0.00 0.00 0.01 0.00 0.00 42.46 40.67 1awi s ILE 21 CO 0.04 0.53 -0.21 -0.69 0.00 0.00 0.00 174.94 174.61 1awi s VAL 22 N 1.31 1.81 0.02 2.92 1.01 0.27 -1.35 120.40 126.39 1awi s VAL 22 Ca 0.05 -0.88 -0.29 0.00 0.00 0.00 0.00 61.98 60.86 1awi s VAL 22 Cb -0.13 -1.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 1awi s VAL 22 CO -0.12 0.50 0.92 -0.83 0.00 0.00 0.00 175.10 175.57 1awi s GLY 23 N 0.36 2.88 -0.00 4.51 0.00 -0.08 -0.12 107.32 114.87 1awi s GLY 23 Ca -0.16 0.47 0.08 0.00 0.00 0.00 0.00 44.72 45.11 1awi s GLY 23 CO 0.07 1.51 0.35 1.58 0.00 0.00 0.00 173.10 176.61 1awi n TYR 24 N 3.53 0.00 -3.05 1.90 4.11 -1.01 -1.54 117.16 121.10 1awi n TYR 24 Ca 0.03 0.00 -0.40 0.00 -0.00 0.00 0.00 57.90 57.54 1awi n TYR 24 Cb 0.51 -0.02 -0.05 0.00 -0.00 0.00 0.00 39.34 39.78 1awi n TYR 24 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.86 177.01 1awi s LYS 25 N -1.87 4.44 1.01 -3.48 1.02 -1.26 -4.40 119.74 115.20 1awi s LYS 25 Ca 0.03 0.97 0.00 0.00 0.02 0.00 0.00 55.97 56.99 1awi s LYS 25 Cb 0.06 -3.35 0.00 0.00 -0.52 0.00 0.00 37.83 34.02 1awi s LYS 25 CO 0.35 0.32 0.00 -3.47 -0.92 0.00 0.00 175.35 171.63 1awi n ASP 26 N 2.73 0.00 -3.68 2.83 2.03 -1.26 -4.44 116.55 114.75 1awi n ASP 26 Ca -0.04 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 54.98 1awi n ASP 26 Cb 0.50 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.76 1awi n ASP 26 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1awi s SER 27 N -4.00 3.79 -0.26 1.67 0.01 -1.26 -5.10 113.70 108.55 1awi s SER 27 Ca 0.00 -1.89 -0.43 0.00 1.31 0.00 0.00 55.95 54.94 1awi s SER 27 Cb 0.00 -0.81 -0.19 0.00 0.21 0.00 0.00 66.02 65.23 1awi s SER 27 CO 0.00 -0.37 1.47 -2.65 0.41 0.00 0.00 173.24 172.09 1awi n PRO 28 N 4.50 0.37 -3.80 12.44 -0.02 -1.25 -4.87 135.00 142.36 1awi n PRO 28 Ca 0.02 0.14 -0.12 0.00 -2.02 0.00 0.00 63.50 61.51 1awi n PRO 28 Cb 0.40 -1.69 -0.10 0.00 -0.02 0.00 0.00 33.50 32.08 1awi n PRO 28 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1awi s SER 29 N 2.06 -0.17 -0.30 2.55 0.15 -0.59 -4.64 113.70 112.76 1awi s SER 29 Ca 0.98 0.22 -0.29 0.00 0.70 0.00 0.00 55.95 57.55 1awi s SER 29 Cb -1.29 0.39 0.01 0.00 -1.71 0.00 0.00 66.02 63.42 1awi s SER 29 CO 0.68 -0.26 1.11 -0.69 1.20 0.00 0.00 173.24 175.28 1awi s VAL 30 N -0.66 4.46 -0.18 4.45 1.01 -1.26 -0.90 120.40 127.32 1awi s VAL 30 Ca -0.08 1.69 0.17 0.00 0.00 0.00 0.00 61.98 63.77 1awi s VAL 30 Cb -0.04 -4.36 0.01 0.00 0.00 0.00 0.00 36.38 31.99 1awi s VAL 30 CO 0.02 -0.44 1.21 -0.50 0.00 0.00 0.00 175.10 175.38 1awi h TRP 31 N 8.20 0.00 -1.03 5.22 4.06 -1.59 -3.48 115.95 127.34 1awi h TRP 31 Ca -0.21 0.00 0.21 0.00 2.06 0.00 0.00 58.89 60.95 1awi h TRP 31 Cb 1.07 0.00 -0.34 0.00 -1.00 0.00 0.00 29.16 28.89 1awi h TRP 31 CO 0.83 0.44 0.81 0.00 -3.56 0.00 0.00 178.44 176.96 1awi s ALA 32 N -3.01 -2.59 0.12 1.49 0.00 -1.21 -4.84 121.76 111.72 1awi s ALA 32 Ca 0.01 1.89 -0.11 0.00 0.00 0.00 0.00 51.96 53.75 1awi s ALA 32 Cb 0.08 -1.96 0.01 0.00 0.00 0.00 0.00 23.12 21.25 1awi s ALA 32 CO 0.77 -0.26 0.28 0.00 0.00 0.00 0.00 175.76 176.55 1awi s ALA 33 N 0.77 -0.41 0.09 0.00 0.00 -1.26 -1.47 121.76 119.49 1awi s ALA 33 Ca -0.04 -0.50 -0.31 0.00 0.00 0.00 0.00 51.96 51.11 1awi s ALA 33 Cb -0.03 0.63 -0.07 0.00 0.00 0.00 0.00 23.12 23.65 1awi s ALA 33 CO -0.11 -0.59 1.34 0.08 0.00 0.00 0.00 175.76 176.49 1awi s VAL 34 N -3.87 3.51 0.33 0.00 1.01 -0.91 -4.93 120.40 115.54 1awi s VAL 34 Ca 0.07 1.07 -0.29 0.00 0.00 0.00 0.00 61.98 62.83 1awi s VAL 34 Cb 0.03 -3.69 -0.11 0.00 0.00 0.00 0.00 36.38 32.62 1awi s VAL 34 CO -0.09 0.08 1.40 -2.84 0.00 0.00 0.00 175.10 173.65 1awi s PRO 35 N 1.19 4.25 -0.42 2.72 0.02 -1.26 -3.35 135.00 138.15 1awi s PRO 35 Ca 0.63 2.36 0.00 0.00 0.02 0.00 0.00 61.00 64.01 1awi s PRO 35 Cb -0.35 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.13 1awi s PRO 35 CO 0.30 -0.35 0.00 0.41 -0.33 0.00 0.00 177.00 177.02 1awi n GLY 36 N 0.97 0.62 0.00 0.52 0.00 -1.26 -4.99 105.19 101.05 1awi n GLY 36 Ca 0.02 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.83 3.88 -0.11 1.61 4.76 -1.21 -5.10 118.16 120.16 1awi n LYS 37 Ca -0.04 0.00 -0.20 0.00 -2.87 0.00 0.00 58.31 55.20 1awi n LYS 37 Cb 0.26 0.00 -0.08 0.00 -1.84 0.00 0.00 35.03 33.37 1awi n LYS 37 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1awi n THR 38 N 0.00 1.51 0.20 -0.18 -1.04 -1.26 -4.55 114.28 108.96 1awi n THR 38 Ca 0.00 -0.10 0.13 0.00 -2.04 0.00 0.00 64.05 62.05 1awi n THR 38 Cb 0.00 -2.08 0.72 0.00 -1.82 0.00 0.00 70.33 67.15 1awi n THR 38 CO 0.00 0.00 0.00 -0.26 -0.64 0.00 0.00 175.07 174.17 1awi h PHE 39 N -1.00 0.00 0.00 -1.42 0.04 -1.88 -1.42 116.94 111.27 1awi h PHE 39 Ca -0.38 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.39 1awi h PHE 39 Cb 1.26 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.41 1awi h PHE 39 CO -0.09 0.00 0.00 -0.24 -0.60 0.00 0.00 178.31 177.38 1awi h VAL 40 N 0.00 0.00 -0.51 -0.55 3.04 -1.80 -1.86 116.25 114.58 1awi h VAL 40 Ca 0.07 -0.03 -0.03 0.00 -1.01 0.00 0.00 66.70 65.71 1awi h VAL 40 Cb 0.32 0.95 -0.02 0.00 -2.01 0.00 0.00 31.29 30.53 1awi h VAL 40 CO -0.00 0.00 0.03 0.59 -1.01 0.00 0.00 177.57 177.18 1awi n ASN 41 N -2.95 5.10 -4.77 3.17 3.02 -0.53 -4.99 115.26 113.31 1awi n ASN 41 Ca -0.03 -3.01 -0.41 0.00 -0.03 0.00 0.00 54.58 51.11 1awi n ASN 41 Cb 0.08 -0.66 -0.02 0.00 -0.61 0.00 0.00 39.78 38.57 1awi n ASN 41 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1awi s ILE 42 N -2.83 2.63 0.22 2.41 1.01 -0.70 -4.18 121.20 119.76 1awi s ILE 42 Ca 0.51 0.63 0.08 0.00 0.00 0.00 0.00 60.65 61.87 1awi s ILE 42 Cb 0.40 -3.40 -0.04 0.00 0.01 0.00 0.00 42.46 39.43 1awi s ILE 42 CO 0.13 0.15 0.06 0.42 0.00 0.00 0.00 174.94 175.71 1awi s THR 43 N -1.07 3.91 0.54 2.92 -4.23 -1.26 -4.86 115.64 111.58 1awi s THR 43 Ca 0.50 -1.53 0.24 0.00 -1.18 0.00 0.00 61.69 59.72 1awi s THR 43 Cb -0.41 -3.04 0.36 0.00 1.34 0.00 0.00 72.50 70.75 1awi s THR 43 CO 0.54 -0.25 2.04 -0.65 -0.54 0.00 0.00 174.62 175.76 1awi h PRO 44 N 2.11 0.00 -0.30 3.99 0.11 -1.96 -1.35 132.00 134.61 1awi h PRO 44 Ca -0.47 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.49 1awi h PRO 44 Cb 1.23 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 1awi h PRO 44 CO 0.60 0.00 -0.41 0.00 -0.21 0.00 0.00 178.00 177.98 1awi h ALA 45 N 1.78 0.45 -0.65 -0.75 0.00 -1.97 -1.70 119.26 116.42 1awi h ALA 45 Ca 0.17 -0.46 -0.08 0.00 0.00 0.00 0.00 54.91 54.54 1awi h ALA 45 Cb 0.71 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1awi h ALA 45 CO -0.00 0.56 0.10 0.93 0.00 0.00 0.00 179.25 180.84 1awi h GLU 46 N 0.57 1.08 -0.63 0.00 5.08 -1.58 -2.37 114.58 116.73 1awi h GLU 46 Ca 0.03 -0.29 -0.05 0.00 -1.00 0.00 0.00 59.36 58.05 1awi h GLU 46 Cb 1.01 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.10 1awi h GLU 46 CO 0.10 0.99 0.19 0.28 -1.00 0.00 0.00 179.01 179.57 1awi h VAL 47 N 1.01 1.25 -0.94 3.13 2.07 -1.37 -2.30 116.25 119.11 1awi h VAL 47 Ca 0.20 -0.86 0.08 0.00 0.82 0.00 0.00 66.70 66.94 1awi h VAL 47 Cb 0.44 0.61 -0.07 0.00 -1.52 0.00 0.00 31.29 30.75 1awi h VAL 47 CO 0.01 0.33 0.59 1.23 0.02 0.00 0.00 177.57 179.75 1awi h GLY 48 N 0.91 1.44 0.97 2.17 0.00 -0.92 -1.09 103.07 106.55 1awi h GLY 48 Ca 0.20 -0.42 -0.06 0.00 0.00 0.00 0.00 47.33 47.05 1awi h GLY 48 CO -0.00 0.26 0.05 -2.08 0.00 0.00 0.00 176.54 174.77 1awi h VAL 49 N 1.04 1.25 -0.17 4.60 2.07 -1.04 -1.93 116.25 122.07 1awi h VAL 49 Ca 0.42 -0.96 0.03 0.00 0.82 0.00 0.00 66.70 67.02 1awi h VAL 49 Cb 0.24 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 1awi h VAL 49 CO -0.20 0.33 -0.04 -0.07 0.02 0.00 0.00 177.57 177.62 1awi h LEU 50 N 0.64 -0.15 -2.59 2.57 3.38 -0.68 -1.92 115.31 116.56 1awi h LEU 50 Ca 0.14 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 1awi h LEU 50 Cb 0.42 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 1awi h LEU 50 CO 0.01 -0.05 0.01 1.33 0.09 0.00 0.00 178.44 179.83 1awi n VAL 51 N -5.18 1.72 -1.52 1.22 0.24 -0.73 -4.98 118.33 109.10 1awi n VAL 51 Ca -0.03 -0.87 -0.29 0.00 -2.04 0.00 0.00 64.34 61.11 1awi n VAL 51 Cb 0.11 -0.37 0.17 0.00 -1.47 0.00 0.00 33.84 32.28 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 -0.48 1.62 0.10 7.63 0.00 -0.72 -5.00 107.32 110.47 1awi s GLY 52 Ca 0.34 -0.76 0.09 0.00 0.00 0.00 0.00 44.72 44.38 1awi s GLY 52 CO 0.10 -0.09 1.16 1.70 0.00 0.00 0.00 173.10 175.97 1awi h LYS 53 N -1.77 0.00 -6.08 2.90 3.64 -1.87 -3.42 116.57 109.96 1awi h LYS 53 Ca -0.48 0.00 -0.52 0.00 -1.27 0.00 0.00 60.65 58.38 1awi h LYS 53 Cb 1.30 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 33.04 1awi h LYS 53 CO 0.51 0.83 1.24 -0.51 -2.27 0.00 0.00 179.45 179.25 1awi s ASP 54 N -6.54 6.06 0.00 4.20 1.11 -1.26 -4.83 116.67 115.41 1awi s ASP 54 Ca 0.00 -0.92 0.21 0.00 0.18 0.00 0.00 52.55 52.03 1awi s ASP 54 Cb 0.09 -2.56 0.56 0.00 1.07 0.00 0.00 42.92 42.08 1awi s ASP 54 CO 0.81 -1.90 1.46 0.54 1.18 0.00 0.00 175.17 177.26 1awi n ARG 55 N 9.02 2.15 0.00 8.23 5.12 -1.26 -4.30 116.66 135.62 1awi n ARG 55 Ca 0.26 -1.74 0.00 0.00 -1.93 0.00 0.00 57.85 54.45 1awi n ARG 55 Cb 0.50 -1.45 0.00 0.00 -1.16 0.00 0.00 32.46 30.35 1awi n ARG 55 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1awi n SER 56 N 0.95 1.36 -0.27 0.55 7.64 -1.26 -4.80 113.62 117.79 1awi n SER 56 Ca 0.18 -0.10 -0.06 0.00 1.01 0.00 0.00 58.87 59.89 1awi n SER 56 Cb 0.47 0.47 0.06 0.00 -1.01 0.00 0.00 64.21 64.19 1awi n SER 56 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1awi h SER 57 N 0.00 1.06 0.00 6.43 0.02 -1.93 -2.29 113.55 116.84 1awi h SER 57 Ca 0.00 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 1awi h SER 57 Cb 0.00 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.26 1awi h SER 57 CO 0.00 0.96 0.00 2.22 -1.14 0.00 0.00 176.83 178.87 1awi n PHE 58 N -4.29 0.00 0.03 3.45 1.16 -1.24 -3.32 117.46 113.24 1awi n PHE 58 Ca 0.06 0.00 -0.12 0.00 -1.87 0.00 0.00 57.45 55.52 1awi n PHE 58 Cb 0.20 -0.02 -0.14 0.00 -1.61 0.00 0.00 39.48 37.92 1awi n PHE 58 CO 0.00 0.00 0.00 1.88 -1.87 0.00 0.00 176.76 176.77 1awi h TYR 59 N 0.06 0.20 0.01 2.97 0.05 -1.73 -3.22 116.97 115.30 1awi h TYR 59 Ca 0.00 -0.14 -0.28 0.00 0.05 0.00 0.00 58.73 58.36 1awi h TYR 59 Cb 0.11 -0.01 -0.04 0.00 1.01 0.00 0.00 36.73 37.80 1awi h TYR 59 CO 0.00 1.20 -1.54 0.28 -1.05 0.00 0.00 178.16 177.05 1awi n VAL 60 N -3.28 1.55 -3.72 -2.88 0.31 -1.21 -4.74 118.33 104.36 1awi n VAL 60 Ca -0.14 -0.14 -0.38 0.00 -0.01 0.00 0.00 64.34 63.67 1awi n VAL 60 Cb 1.03 -1.99 -0.12 0.00 -0.91 0.00 0.00 33.84 31.85 1awi n VAL 60 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1awi s ASN 61 N -6.97 5.29 0.00 4.52 0.01 -1.23 -5.08 114.94 111.48 1awi s ASN 61 Ca -0.30 -0.70 0.00 0.00 -0.71 0.00 0.00 52.86 51.14 1awi s ASN 61 Cb 0.07 -1.92 0.00 0.00 0.41 0.00 0.00 41.25 39.81 1awi s ASN 61 CO 0.59 -0.21 0.00 0.61 -1.51 0.00 0.00 177.10 176.58 1awi n GLY 62 N 4.90 -3.12 3.66 0.66 0.00 -1.22 -3.72 105.19 106.35 1awi n GLY 62 Ca -0.14 -0.70 -0.12 0.00 0.00 0.00 0.00 46.02 45.06 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 0.50 -0.01 0.99 0.05 -0.05 -4.67 118.68 115.49 1awi s LEU 63 Ca 0.00 -1.33 0.07 0.00 0.05 0.00 0.00 54.13 52.91 1awi s LEU 63 Cb 0.00 2.22 -0.02 0.00 -2.05 0.00 0.00 46.19 46.34 1awi s LEU 63 CO 0.00 -1.53 -0.21 0.42 -0.55 0.00 0.00 176.35 174.48 1awi s THR 64 N -2.58 1.65 -0.17 5.48 -4.23 -1.26 0.96 115.64 115.50 1awi s THR 64 Ca 0.23 -0.93 -0.00 0.00 -1.18 0.00 0.00 61.69 59.80 1awi s THR 64 Cb -0.03 -1.38 0.04 0.00 1.34 0.00 0.00 72.50 72.47 1awi s THR 64 CO 0.16 0.43 -0.07 -0.76 -0.54 0.00 0.00 174.62 173.84 1awi s LEU 65 N -0.58 1.70 -1.84 4.79 1.43 0.34 -4.73 118.68 119.80 1awi s LEU 65 Ca 0.08 -0.66 0.00 0.00 -1.03 0.00 0.00 54.13 52.52 1awi s LEU 65 Cb -0.08 -0.98 0.00 0.00 0.03 0.00 0.00 46.19 45.16 1awi s LEU 65 CO -0.00 -0.16 0.00 0.61 0.23 0.00 0.00 176.35 177.02 1awi n GLY 66 N 4.84 0.19 0.71 -3.19 0.00 -1.26 -1.47 105.19 105.01 1awi n GLY 66 Ca -0.13 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.88 2.88 3.70 -0.02 0.00 -1.26 -4.85 105.19 104.76 1awi n GLY 67 Ca -0.23 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 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 0.00 4.20 0.12 1.61 2.00 -0.54 -4.92 119.66 122.13 1awi s GLN 68 Ca 0.00 2.38 -0.27 0.00 -2.00 0.00 0.00 55.36 55.47 1awi s GLN 68 Cb 0.00 -3.38 -0.07 0.00 0.80 0.00 0.00 33.01 30.36 1awi s GLN 68 CO 0.00 -0.69 0.85 0.15 -0.50 0.00 0.00 175.29 175.10 1awi s LYS 69 N 1.94 4.62 0.09 1.67 3.01 -1.26 -0.50 119.74 129.31 1awi s LYS 69 Ca 0.73 1.26 0.03 0.00 -1.01 0.00 0.00 55.97 56.98 1awi s LYS 69 Cb -0.43 -3.33 -0.03 0.00 -1.01 0.00 0.00 37.83 33.03 1awi s LYS 69 CO 0.32 0.36 -0.10 0.00 0.51 0.00 0.00 175.35 176.44 1awi s SER 71 N -2.33 4.82 -0.20 0.00 0.01 0.02 -0.87 113.70 115.15 1awi s SER 71 Ca 0.03 -0.24 -0.29 0.00 1.31 0.00 0.00 55.95 56.76 1awi s SER 71 Cb -0.04 -1.84 -0.01 0.00 0.21 0.00 0.00 66.02 64.35 1awi s SER 71 CO -0.00 0.02 1.29 -0.69 0.41 0.00 0.00 173.24 174.27 1awi s VAL 72 N 1.27 4.21 -0.79 3.43 1.01 -1.26 -1.07 120.40 127.20 1awi s VAL 72 Ca 0.04 1.43 0.19 0.00 0.00 0.00 0.00 61.98 63.64 1awi s VAL 72 Cb -0.15 -4.02 -0.22 0.00 0.00 0.00 0.00 36.38 31.99 1awi s VAL 72 CO 0.01 -0.24 0.76 2.30 0.00 0.00 0.00 175.10 177.94 1awi n ILE 73 N 5.65 0.00 -3.47 2.22 -5.35 0.10 -4.90 119.36 113.61 1awi n ILE 73 Ca 0.14 -0.10 0.01 0.00 -0.27 0.00 0.00 62.75 62.53 1awi n ILE 73 Cb 0.45 0.87 -0.05 0.00 -1.74 0.00 0.00 39.64 39.18 1awi n ILE 73 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1awi s ARG 74 N -2.88 0.32 -0.25 6.28 3.00 -1.11 -4.98 118.95 119.32 1awi s ARG 74 Ca 0.05 0.74 -0.03 0.00 -1.00 0.00 0.00 55.73 55.49 1awi s ARG 74 Cb 0.14 0.37 0.02 0.00 0.00 0.00 0.00 34.95 35.48 1awi s ARG 74 CO 0.79 -0.10 -0.03 0.34 0.00 0.00 0.00 175.30 176.30 1awi s ASP 75 N 2.21 4.45 0.00 -2.12 2.15 -1.26 -0.94 116.67 121.16 1awi s ASP 75 Ca -0.04 -0.77 0.08 0.00 0.43 0.00 0.00 52.55 52.25 1awi s ASP 75 Cb -0.06 -1.71 0.13 0.00 -0.30 0.00 0.00 42.92 40.98 1awi s ASP 75 CO -0.17 -0.12 1.01 -1.20 -0.17 0.00 0.00 175.17 174.52 1awi n SER 76 N 4.73 0.26 -0.25 -0.34 7.64 -0.39 -4.95 113.62 120.32 1awi n SER 76 Ca -0.16 -1.92 -0.00 0.00 1.01 0.00 0.00 58.87 57.80 1awi n SER 76 Cb 0.48 -0.19 0.11 0.00 -1.01 0.00 0.00 64.21 63.60 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 0.31 0.59 -2.43 -3.43 5.85 -1.50 -2.05 115.31 112.64 1awi h LEU 77 Ca -0.10 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.66 1awi h LEU 77 Cb 1.52 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.47 1awi h LEU 77 CO 0.02 0.37 0.00 0.18 -0.34 0.00 0.00 178.44 178.67 1awi n LEU 78 N -4.77 3.65 -4.80 2.25 4.77 -1.26 -4.46 117.00 112.38 1awi n LEU 78 Ca 0.10 -1.84 -0.39 0.00 -0.03 0.00 0.00 56.01 53.85 1awi n LEU 78 Cb 0.20 -0.47 -0.06 0.00 -2.33 0.00 0.00 43.42 40.75 1awi n LEU 78 CO 0.28 0.71 0.26 -1.58 -1.33 0.00 0.00 177.39 175.74 1awi s GLN 79 N -1.58 4.21 -0.02 3.23 2.00 -0.78 -5.00 119.66 121.72 1awi s GLN 79 Ca 0.41 0.71 -0.33 0.00 -2.00 0.00 0.00 55.36 54.15 1awi s GLN 79 Cb 0.24 -3.27 -0.11 0.00 0.80 0.00 0.00 33.01 30.68 1awi s GLN 79 CO 0.22 0.57 1.87 -0.25 -0.50 0.00 0.00 175.29 177.20 1awi n ASP 80 N 2.00 3.62 0.00 6.67 8.00 -1.26 -3.59 116.55 131.98 1awi n ASP 80 Ca -0.10 0.97 0.00 0.00 0.71 0.00 0.00 54.79 56.37 1awi n ASP 80 Cb 0.51 -1.43 0.00 0.00 -0.02 0.00 0.00 41.12 40.18 1awi n ASP 80 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1awi n GLY 81 N 4.32 2.11 2.70 0.44 0.00 -1.26 -4.80 105.19 108.70 1awi n GLY 81 Ca 0.21 -0.42 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 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 0.00 2.76 -0.71 1.61 4.07 -1.24 -4.82 120.64 122.32 1awi n GLU 82 Ca 0.00 -2.34 -0.08 0.00 -0.06 0.00 0.00 57.16 54.67 1awi n GLU 82 Cb 0.00 -3.09 -0.12 0.00 -0.06 0.00 0.00 31.44 28.17 1awi n GLU 82 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 1awi n PHE 83 N 5.73 0.00 -4.35 4.31 3.72 -1.24 -4.38 117.46 121.26 1awi n PHE 83 Ca 0.56 -1.07 -0.18 0.00 -0.05 0.00 0.00 57.45 56.72 1awi n PHE 83 Cb 0.35 -1.22 -0.10 0.00 -0.94 0.00 0.00 39.48 37.57 1awi n PHE 83 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1awi s SER 84 N 2.25 1.98 -0.02 4.37 1.04 -1.17 -1.94 113.70 120.20 1awi s SER 84 Ca 0.46 -1.22 -0.02 0.00 0.48 0.00 0.00 55.95 55.65 1awi s SER 84 Cb 0.22 -0.02 0.01 0.00 0.10 0.00 0.00 66.02 66.33 1awi s SER 84 CO 0.00 -0.49 0.06 -0.32 0.98 0.00 0.00 173.24 173.47 1awi s MET 85 N -3.85 0.06 -0.07 4.02 0.00 -0.08 -1.26 119.30 118.11 1awi s MET 85 Ca 0.29 0.11 0.04 0.00 0.00 0.00 0.00 55.69 56.13 1awi s MET 85 Cb 0.06 -0.01 -0.02 0.00 0.00 0.00 0.00 34.83 34.85 1awi s MET 85 CO 0.09 -0.04 -0.18 -0.51 0.00 0.00 0.00 175.02 174.39 1awi s ASP 86 N 0.23 3.69 0.13 1.11 1.01 -0.12 -1.51 116.67 121.22 1awi s ASP 86 Ca -0.02 -0.34 -0.03 0.00 0.71 0.00 0.00 52.55 52.87 1awi s ASP 86 Cb -0.03 -1.03 -0.03 0.00 1.01 0.00 0.00 42.92 42.84 1awi s ASP 86 CO -0.01 0.27 0.12 -0.76 0.21 0.00 0.00 175.17 175.00 1awi s LEU 87 N -0.27 1.58 0.13 1.23 1.02 -0.41 -0.73 118.68 121.24 1awi s LEU 87 Ca 0.01 -1.09 0.08 0.00 0.02 0.00 0.00 54.13 53.15 1awi s LEU 87 Cb -0.13 0.55 -0.04 0.00 0.02 0.00 0.00 46.19 46.60 1awi s LEU 87 CO 0.03 -0.77 -0.19 -0.13 0.02 0.00 0.00 176.35 175.31 1awi s ARG 88 N -4.02 1.16 -0.37 1.70 0.52 -0.23 -0.92 118.95 116.80 1awi s ARG 88 Ca 0.21 -1.25 -0.27 0.00 -0.52 0.00 0.00 55.73 53.90 1awi s ARG 88 Cb 0.06 -1.32 0.02 0.00 0.52 0.00 0.00 34.95 34.23 1awi s ARG 88 CO 0.00 0.29 0.99 0.99 0.02 0.00 0.00 175.30 177.59 1awi s THR 89 N -1.56 4.52 -0.64 0.02 2.01 -0.02 -0.80 115.64 119.18 1awi s THR 89 Ca 0.10 1.33 -0.28 0.00 0.31 0.00 0.00 61.69 63.16 1awi s THR 89 Cb -0.08 -4.38 -0.11 0.00 0.01 0.00 0.00 72.50 67.93 1awi s THR 89 CO 0.05 -0.58 2.50 0.29 -0.69 0.00 0.00 174.62 176.19 1awi n LYS 90 N 6.92 0.74 -1.79 4.92 5.02 -0.72 -4.39 118.16 128.87 1awi n LYS 90 Ca 0.09 -0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.97 1awi n LYS 90 Cb 0.48 -2.88 -0.01 0.00 -0.02 0.00 0.00 35.03 32.59 1awi n LYS 90 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1awi n SER 91 N 14.35 7.25 -0.04 4.39 7.64 -1.26 -4.50 113.62 141.45 1awi n SER 91 Ca 0.45 -2.91 -0.06 0.00 1.01 0.00 0.00 58.87 57.37 1awi n SER 91 Cb 0.40 -1.49 0.14 0.00 -1.01 0.00 0.00 64.21 62.25 1awi n SER 91 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1awi h THR 92 N 3.11 1.27 -4.63 0.44 2.02 -1.97 -3.45 112.91 109.70 1awi h THR 92 Ca 0.69 -1.30 -0.32 0.00 0.77 0.00 0.00 66.41 66.25 1awi h THR 92 Cb 0.39 1.26 -0.14 0.00 -1.74 0.00 0.00 68.15 67.92 1awi h THR 92 CO 1.66 0.43 -0.58 -0.83 0.37 0.00 0.00 175.52 176.57 1awi s GLY 93 N -3.91 1.73 0.00 2.16 0.00 -1.26 -5.06 107.32 100.98 1awi s GLY 93 Ca -0.08 -1.81 0.00 0.00 0.00 0.00 0.00 44.72 42.82 1awi s GLY 93 CO 0.82 -1.44 0.00 0.61 0.00 0.00 0.00 173.10 173.09 1awi n GLY 94 N -0.39 0.87 1.41 0.20 0.00 -1.26 -4.85 105.19 101.17 1awi n GLY 94 Ca 0.03 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.43 1awi n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1awi n ALA 95 N 9.73 0.00 -2.08 4.61 0.00 -1.26 -5.12 120.51 126.40 1awi n ALA 95 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1awi n ALA 95 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1awi n ALA 95 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1awi s PRO 96 N -2.00 4.35 -0.04 0.00 0.04 -1.26 -4.91 135.00 131.19 1awi s PRO 96 Ca 0.00 2.08 0.07 0.00 0.04 0.00 0.00 61.00 63.19 1awi s PRO 96 Cb 0.00 -3.21 -0.02 0.00 0.04 0.00 0.00 34.50 31.31 1awi s PRO 96 CO 0.00 -0.35 -0.25 -0.08 0.04 0.00 0.00 177.00 176.36 1awi s THR 97 N 0.57 2.10 0.18 1.26 -1.32 -1.26 -4.76 115.64 112.41 1awi s THR 97 Ca 0.61 -1.08 0.08 0.00 -1.21 0.00 0.00 61.69 60.08 1awi s THR 97 Cb -0.37 -1.74 -0.04 0.00 -1.51 0.00 0.00 72.50 68.84 1awi s THR 97 CO 0.35 0.58 -0.15 -0.36 -2.21 0.00 0.00 174.62 172.82 1awi s PHE 98 N -0.45 1.68 -0.09 9.09 0.08 -1.26 -4.72 117.98 122.31 1awi s PHE 98 Ca 0.05 -0.55 -0.17 0.00 0.12 0.00 0.00 56.93 56.38 1awi s PHE 98 Cb -0.11 -0.81 -0.05 0.00 -0.57 0.00 0.00 43.02 41.48 1awi s PHE 98 CO 0.01 0.31 0.44 -0.80 -0.10 0.00 0.00 175.22 175.08 1awi s ASN 99 N -3.02 6.69 0.12 1.36 0.02 -1.26 -0.84 114.94 118.01 1awi s ASN 99 Ca 0.19 0.82 0.08 0.00 -1.02 0.00 0.00 52.86 52.93 1awi s ASN 99 Cb -0.02 -2.27 -0.04 0.00 0.02 0.00 0.00 41.25 38.94 1awi s ASN 99 CO 0.06 0.09 -0.21 -0.69 0.02 0.00 0.00 177.10 176.37 1awi s VAL 100 N 0.20 1.75 -0.02 1.60 1.01 -0.09 -1.61 120.40 123.24 1awi s VAL 100 Ca 0.24 -1.62 0.01 0.00 0.00 0.00 0.00 61.98 60.61 1awi s VAL 100 Cb -0.15 -1.63 0.02 0.00 0.00 0.00 0.00 36.38 34.61 1awi s VAL 100 CO 0.10 -0.10 -0.02 -0.89 0.00 0.00 0.00 175.10 174.19 1awi s THR 101 N -1.33 0.26 -0.18 3.92 2.01 -0.66 -1.28 115.64 118.37 1awi s THR 101 Ca 0.08 -0.02 -0.01 0.00 0.31 0.00 0.00 61.69 62.06 1awi s THR 101 Cb -0.09 -0.30 0.00 0.00 0.01 0.00 0.00 72.50 72.13 1awi s THR 101 CO 0.05 0.13 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.28 1awi s VAL 102 N 0.62 2.66 0.13 3.82 1.01 -0.57 -1.76 120.40 126.32 1awi s VAL 102 Ca -0.06 -0.75 0.08 0.00 0.00 0.00 0.00 61.98 61.25 1awi s VAL 102 Cb -0.10 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.09 1awi s VAL 102 CO -0.01 0.50 -0.13 -0.89 0.00 0.00 0.00 175.10 174.56 1awi s THR 103 N 1.19 3.11 -0.02 3.92 2.01 -0.44 -0.90 115.64 124.50 1awi s THR 103 Ca 0.02 -1.46 0.07 0.00 0.31 0.00 0.00 61.69 60.63 1awi s THR 103 Cb -0.14 -2.46 -0.02 0.00 0.01 0.00 0.00 72.50 69.89 1awi s THR 103 CO -0.06 0.06 -0.24 -0.75 -0.69 0.00 0.00 174.62 172.94 1awi s LYS 104 N -2.32 1.93 0.00 4.92 2.20 -0.82 -0.82 119.74 124.82 1awi s LYS 104 Ca 0.21 -0.85 0.00 0.00 -0.36 0.00 0.00 55.97 54.97 1awi s LYS 104 Cb -0.10 -1.86 0.00 0.00 -1.51 0.00 0.00 37.83 34.36 1awi s LYS 104 CO 0.13 0.51 0.00 0.25 -0.36 0.00 0.00 175.35 175.87 1awi n THR 105 N 2.50 0.00 0.02 3.43 -2.24 -0.13 -4.91 114.28 112.96 1awi n THR 105 Ca -0.16 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.46 1awi n THR 105 Cb 0.52 -0.02 -0.05 0.00 -2.10 0.00 0.00 70.33 68.67 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 0.77 0.00 3.42 3.32 -1.86 -3.38 116.42 118.69 1awi h ASP 106 Ca 0.00 -0.55 0.00 0.00 0.02 0.00 0.00 57.03 56.50 1awi h ASP 106 Cb 0.00 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.32 1awi h ASP 106 CO 0.00 1.34 -0.27 0.29 -1.72 0.00 0.00 179.24 178.88 1awi n LYS 107 N -3.86 4.20 -4.51 3.56 5.02 -0.47 -4.90 118.16 117.20 1awi n LYS 107 Ca -0.08 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 55.98 1awi n LYS 107 Cb 0.79 -0.58 -0.10 0.00 -0.02 0.00 0.00 35.03 35.12 1awi n LYS 107 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1awi s THR 108 N -1.09 1.34 -0.14 -0.18 -4.23 -1.23 -2.40 115.64 107.70 1awi s THR 108 Ca 0.00 -2.00 -0.00 0.00 -1.18 0.00 0.00 61.69 58.51 1awi s THR 108 Cb 0.00 -2.79 0.03 0.00 1.34 0.00 0.00 72.50 71.09 1awi s THR 108 CO 0.00 0.00 -0.07 -0.76 -0.54 0.00 0.00 174.62 173.25 1awi s LEU 109 N -3.57 1.48 -0.26 4.79 1.02 0.83 -0.95 118.68 122.02 1awi s LEU 109 Ca 0.34 -0.51 -0.13 0.00 0.02 0.00 0.00 54.13 53.85 1awi s LEU 109 Cb 0.08 -0.93 -0.04 0.00 0.02 0.00 0.00 46.19 45.32 1awi s LEU 109 CO 0.16 -0.14 0.28 -0.69 0.02 0.00 0.00 176.35 175.98 1awi s VAL 110 N 1.63 5.25 -0.09 -1.59 1.01 -0.00 -0.56 120.40 126.05 1awi s VAL 110 Ca 0.03 0.39 0.01 0.00 0.00 0.00 0.00 61.98 62.41 1awi s VAL 110 Cb -0.14 -3.62 -0.02 0.00 0.00 0.00 0.00 36.38 32.60 1awi s VAL 110 CO -0.08 0.22 -0.11 -0.76 0.00 0.00 0.00 175.10 174.36 1awi s LEU 111 N 1.78 2.86 -0.02 3.92 1.02 0.75 -1.33 118.68 127.66 1awi s LEU 111 Ca 0.12 -0.20 0.02 0.00 0.02 0.00 0.00 54.13 54.09 1awi s LEU 111 Cb -0.16 -1.62 0.00 0.00 0.02 0.00 0.00 46.19 44.44 1awi s LEU 111 CO 0.10 0.27 -0.07 -0.76 0.02 0.00 0.00 176.35 175.91 1awi s LEU 112 N -0.28 1.81 -0.11 1.79 1.43 -0.72 -1.31 118.68 121.28 1awi s LEU 112 Ca 0.03 -0.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.00 1awi s LEU 112 Cb -0.13 -0.41 0.02 0.00 0.03 0.00 0.00 46.19 45.70 1awi s LEU 112 CO 0.03 0.05 -0.11 -0.32 0.23 0.00 0.00 176.35 176.22 1awi s MET 113 N 0.15 1.86 0.55 1.70 -2.45 -0.20 -1.66 119.30 119.26 1awi s MET 113 Ca -0.02 -0.40 -0.06 0.00 -1.25 0.00 0.00 55.69 53.96 1awi s MET 113 Cb -0.07 -1.74 -0.01 0.00 1.25 0.00 0.00 34.83 34.26 1awi s MET 113 CO -0.00 -0.18 0.87 0.20 1.05 0.00 0.00 175.02 176.95 1awi s GLY 114 N 1.39 1.57 0.96 2.11 0.00 -0.63 -0.02 107.32 112.70 1awi s GLY 114 Ca 0.00 -0.62 -0.14 0.00 0.00 0.00 0.00 44.72 43.96 1awi s GLY 114 CO -0.06 -0.38 1.17 0.54 0.00 0.00 0.00 173.10 174.37 1awi s LYS 115 N -4.91 0.71 0.24 2.90 1.02 0.51 -4.42 119.74 115.79 1awi s LYS 115 Ca 0.52 0.10 -0.31 0.00 0.02 0.00 0.00 55.97 56.30 1awi s LYS 115 Cb -0.10 -1.81 -0.11 0.00 -0.52 0.00 0.00 37.83 35.29 1awi s LYS 115 CO 0.45 -2.46 1.57 -2.00 -0.92 0.00 0.00 175.35 171.99 1awi s GLU 116 N -5.42 4.18 0.00 1.68 2.12 -1.26 -2.35 118.70 117.65 1awi s GLU 116 Ca 0.67 2.46 0.00 0.00 0.36 0.00 0.00 54.97 58.46 1awi s GLU 116 Cb -0.12 -3.08 0.00 0.00 0.26 0.00 0.00 34.13 31.19 1awi s GLU 116 CO 0.53 -0.59 0.00 0.41 -0.54 0.00 0.00 175.26 175.08 1awi n GLY 117 N 2.77 3.22 3.67 -1.50 0.00 -1.26 -5.01 105.19 107.07 1awi n GLY 117 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.90 3.38 0.01 1.61 1.01 -0.99 -4.91 120.40 118.61 1awi s VAL 118 Ca 0.00 0.60 -0.35 0.00 0.00 0.00 0.00 61.98 62.23 1awi s VAL 118 Cb 0.00 -3.39 -0.14 0.00 0.00 0.00 0.00 36.38 32.85 1awi s VAL 118 CO 0.00 -0.04 1.65 1.57 0.00 0.00 0.00 175.10 178.29 1awi n HIS 119 N 6.62 2.13 -0.23 5.22 -0.00 -1.26 -4.76 115.22 122.94 1awi n HIS 119 Ca 0.17 0.28 -0.01 0.00 0.46 0.00 0.00 57.72 58.62 1awi n HIS 119 Cb 0.42 -2.53 0.06 0.00 -0.12 0.00 0.00 29.99 27.81 1awi n HIS 119 CO 0.00 0.00 0.00 0.78 0.46 0.00 0.00 176.34 177.58 1awi h GLY 120 N 6.86 0.32 1.32 1.57 0.00 -1.95 0.98 103.07 112.17 1awi h GLY 120 Ca -0.47 0.29 0.06 0.00 0.00 0.00 0.00 47.33 47.21 1awi h GLY 120 CO 0.90 -0.25 0.28 -1.33 0.00 0.00 0.00 176.54 176.14 1awi h GLY 121 N -0.05 0.00 1.74 4.60 0.00 -1.99 0.23 103.07 107.60 1awi h GLY 121 Ca 0.30 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.44 1awi h GLY 121 CO -0.71 0.00 -0.84 -2.00 0.00 0.00 0.00 176.54 172.99 1awi h LEU 122 N 0.00 0.31 -0.23 3.11 6.46 -1.16 -0.04 115.31 123.75 1awi h LEU 122 Ca 0.10 -0.24 -0.21 0.00 -0.12 0.00 0.00 57.88 57.41 1awi h LEU 122 Cb 0.66 -0.09 0.01 0.00 -0.73 0.00 0.00 40.66 40.50 1awi h LEU 122 CO -0.00 1.02 -0.81 0.40 -0.62 0.00 0.00 178.44 178.43 1awi h ILE 123 N 0.14 1.33 -0.45 4.05 1.08 -0.52 -2.70 117.51 120.44 1awi h ILE 123 Ca -0.04 -2.12 -0.04 0.00 -0.39 0.00 0.00 64.86 62.27 1awi h ILE 123 Cb 1.46 2.12 -0.02 0.00 -3.07 0.00 0.00 36.82 37.31 1awi h ILE 123 CO 0.13 0.65 0.12 -1.13 -0.69 0.00 0.00 178.15 177.24 1awi h ASN 124 N 0.39 0.67 0.04 1.72 -0.73 -0.88 -0.42 115.58 116.37 1awi h ASN 124 Ca -0.06 -0.22 0.01 0.00 1.87 0.00 0.00 56.30 57.90 1awi h ASN 124 Cb 1.42 -0.18 -0.01 0.00 0.27 0.00 0.00 38.32 39.82 1awi h ASN 124 CO 0.15 0.72 -0.08 0.50 -0.37 0.00 0.00 177.43 178.35 1awi h LYS 125 N 0.59 -0.16 -0.40 6.67 3.64 -1.01 0.17 116.57 126.07 1awi h LYS 125 Ca 0.14 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 1awi h LYS 125 Cb 0.30 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 1awi h LYS 125 CO -0.00 -0.11 0.22 0.87 -2.27 0.00 0.00 179.45 178.16 1awi h LYS 126 N -0.17 0.56 -0.41 1.90 1.57 -1.37 -0.50 116.57 118.15 1awi h LYS 126 Ca 0.02 -0.07 -0.15 0.00 -1.87 0.00 0.00 60.65 58.58 1awi h LYS 126 Cb 0.18 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1awi h LYS 126 CO -0.06 0.45 -0.35 0.00 -0.57 0.00 0.00 179.45 178.93 1awi h TYR 128 N 0.79 0.89 -0.08 0.00 3.20 -0.55 -2.87 116.97 118.35 1awi h TYR 128 Ca 0.07 -0.24 -0.13 0.00 3.14 0.00 0.00 58.73 61.57 1awi h TYR 128 Cb 0.94 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 39.00 1awi h TYR 128 CO 0.06 0.99 -0.53 0.93 -1.64 0.00 0.00 178.16 177.97 1awi h GLU 129 N 0.63 0.22 -0.25 1.82 5.08 -1.11 -1.73 114.58 119.25 1awi h GLU 129 Ca 0.06 -0.13 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 1awi h GLU 129 Cb 0.88 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 1awi h GLU 129 CO 0.08 0.70 0.04 1.98 -1.00 0.00 0.00 179.01 180.81 1awi h MET 130 N 0.17 0.41 -0.44 2.33 4.05 -1.47 -1.52 114.93 118.46 1awi h MET 130 Ca 0.00 -0.11 -0.08 0.00 -0.28 0.00 0.00 59.70 59.23 1awi h MET 130 Cb 1.00 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 31.73 1awi h MET 130 CO 0.08 0.53 -0.05 0.00 0.23 0.00 0.00 176.91 177.70 1awi h ALA 131 N 0.86 1.08 -0.85 0.39 0.00 -1.47 -0.38 119.26 118.89 1awi h ALA 131 Ca 0.08 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1awi h ALA 131 Cb 0.32 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1awi h ALA 131 CO 0.00 0.57 0.49 1.03 0.00 0.00 0.00 179.25 181.35 1awi h SER 132 N 0.69 1.04 -0.67 0.00 0.87 -1.07 0.16 113.55 114.57 1awi h SER 132 Ca 0.13 -0.08 -0.08 0.00 -1.23 0.00 0.00 61.79 60.53 1awi h SER 132 Cb 0.50 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 62.17 1awi h SER 132 CO 0.03 0.82 0.13 -0.74 -0.53 0.00 0.00 176.83 176.53 1awi h HIS 133 N 1.18 1.17 -0.23 2.24 6.17 -0.69 -2.54 115.15 122.43 1awi h HIS 133 Ca 0.30 -0.15 -0.04 0.00 0.71 0.00 0.00 60.37 61.19 1awi h HIS 133 Cb -0.01 -0.32 -0.01 0.00 2.52 0.00 0.00 27.41 29.59 1awi h HIS 133 CO 0.00 0.97 -0.01 -0.07 0.71 0.00 0.00 177.93 179.53 1awi h LEU 134 N 1.04 0.40 -0.93 0.26 3.38 0.08 -2.73 115.31 116.80 1awi h LEU 134 Ca 0.21 -0.31 -0.10 0.00 0.09 0.00 0.00 57.88 57.77 1awi h LEU 134 Cb 0.42 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1awi h LEU 134 CO 0.01 0.62 -0.27 0.08 0.09 0.00 0.00 178.44 178.97 1awi h ARG 135 N 0.18 0.46 0.00 1.13 0.11 -0.72 0.15 114.38 115.69 1awi h ARG 135 Ca 0.06 -0.18 0.00 0.00 0.10 0.00 0.00 59.98 59.97 1awi h ARG 135 Cb 0.42 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 31.47 1awi h ARG 135 CO 0.01 0.69 0.00 0.00 0.10 0.00 0.00 179.97 180.78 1awi h ARG 136 N 0.40 0.00 -0.77 0.08 3.08 -1.45 -2.10 114.38 113.62 1awi h ARG 136 Ca 0.06 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.95 1awi h ARG 136 Cb 0.69 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.64 1awi h ARG 136 CO 0.05 0.00 0.20 0.43 -1.07 0.00 0.00 179.97 179.58 1awi n SER 137 N -3.01 4.55 -1.04 7.04 7.64 -0.64 -4.89 113.62 123.27 1awi n SER 137 Ca 0.01 -3.00 -0.12 0.00 1.01 0.00 0.00 58.87 56.76 1awi n SER 137 Cb 0.30 -0.71 -0.04 0.00 -1.01 0.00 0.00 64.21 62.75 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 0.02 -0.87 0.00 1.43 1.13 -0.79 -5.02 117.38 113.27 1awi n GLN 138 Ca 0.34 0.84 0.04 0.00 -1.94 0.00 0.00 57.00 56.27 1awi n GLN 138 Cb 1.22 -4.89 0.03 0.00 0.11 0.00 0.00 30.24 26.71 1awi n GLN 138 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28