#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ago n ASP 2 N 0.00 3.56 -4.71 0.00 8.00 -1.26 -4.40 116.55 117.73 3ago n ASP 2 Ca 0.00 1.20 -0.42 0.00 0.71 0.00 0.00 54.79 56.28 3ago n ASP 2 Cb 0.00 -1.58 -0.03 0.00 -0.02 0.00 0.00 41.12 39.49 3ago n ASP 2 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3ago s ILE 3 N -0.79 3.22 0.56 0.53 1.01 -1.26 -4.98 121.20 119.49 3ago s ILE 3 Ca 0.57 0.84 -0.17 0.00 0.00 0.00 0.00 60.65 61.89 3ago s ILE 3 Cb -0.51 -3.54 -0.05 0.00 0.01 0.00 0.00 42.46 38.37 3ago s ILE 3 CO 0.59 0.05 1.04 -2.16 0.00 0.00 0.00 174.94 174.47 3ago s PRO 4 N 1.38 3.50 0.30 2.79 0.04 -1.26 -4.93 135.00 136.81 3ago s PRO 4 Ca 0.66 1.21 0.04 0.00 0.04 0.00 0.00 61.00 62.95 3ago s PRO 4 Cb -0.38 -2.06 0.65 0.00 0.04 0.00 0.00 34.50 32.76 3ago s PRO 4 CO 0.30 -0.66 1.82 0.37 0.04 0.00 0.00 177.00 178.87 3ago h GLN 5 N 0.74 0.86 -3.78 4.56 5.75 -1.94 -3.17 115.11 118.12 3ago h GLN 5 Ca -0.47 -0.05 -0.09 0.00 -0.15 0.00 0.00 58.65 57.89 3ago h GLN 5 Cb 1.22 -0.19 -0.12 0.00 1.07 0.00 0.00 27.48 29.46 3ago h GLN 5 CO 0.58 0.57 -0.24 -1.54 -2.65 0.00 0.00 178.83 175.55 3ago s SER 6 N -5.61 -0.03 -0.05 -0.69 1.04 -1.26 -1.35 113.70 105.75 3ago s SER 6 Ca -0.11 -0.84 -0.14 0.00 0.48 0.00 0.00 55.95 55.33 3ago s SER 6 Cb 0.23 0.48 0.03 0.00 0.10 0.00 0.00 66.02 66.86 3ago s SER 6 CO 0.80 -0.96 0.32 0.28 0.98 0.00 0.00 173.24 174.66 3ago s THR 7 N -3.97 0.04 -0.36 2.02 -1.32 -0.37 -4.94 115.64 106.73 3ago s THR 7 Ca 0.18 -0.32 -0.04 0.00 -1.21 0.00 0.00 61.69 60.30 3ago s THR 7 Cb 0.02 -0.57 0.07 0.00 -1.51 0.00 0.00 72.50 70.51 3ago s THR 7 CO 0.02 -0.18 0.13 0.21 -2.21 0.00 0.00 174.62 172.59 3ago s ASN 8 N -0.83 5.22 -0.62 8.08 3.84 -1.26 -1.06 114.94 128.30 3ago s ASN 8 Ca -0.09 -1.52 -0.13 0.00 0.21 0.00 0.00 52.86 51.32 3ago s ASN 8 Cb -0.04 -1.83 0.16 0.00 -0.55 0.00 0.00 41.25 38.99 3ago s ASN 8 CO 0.03 -0.41 0.55 0.00 -2.79 0.00 0.00 177.10 174.48 3ago n GLY 10 N 4.69 -0.50 0.00 0.00 0.00 -1.26 -1.40 105.19 106.72 3ago n GLY 10 Ca -0.03 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3ago n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ago n GLY 11 N -1.29 3.20 3.61 -0.02 0.00 -1.26 -5.00 105.19 104.44 3ago n GLY 11 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 3ago n GLY 11 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ago s ASN 12 N -0.62 6.62 -0.22 1.61 0.01 -0.49 -5.04 114.94 116.81 3ago s ASN 12 Ca 0.00 0.61 -0.15 0.00 -0.71 0.00 0.00 52.86 52.62 3ago s ASN 12 Cb 0.00 -2.38 -0.04 0.00 0.41 0.00 0.00 41.25 39.23 3ago s ASN 12 CO 0.00 -0.56 0.34 -0.69 -1.51 0.00 0.00 177.10 174.68 3ago s VAL 13 N 2.84 5.23 0.23 1.60 1.01 -1.26 -0.56 120.40 129.49 3ago s VAL 13 Ca 0.30 0.57 0.10 0.00 0.00 0.00 0.00 61.98 62.96 3ago s VAL 13 Cb -0.14 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 3ago s VAL 13 CO 0.12 0.25 -0.13 -0.31 0.00 0.00 0.00 175.10 175.03 3ago s TYR 14 N 1.41 2.49 0.39 5.22 2.02 -0.23 -4.97 117.35 123.69 3ago s TYR 14 Ca 0.16 -0.28 0.08 0.00 -0.37 0.00 0.00 57.07 56.66 3ago s TYR 14 Cb -0.15 -1.15 0.00 0.00 -0.40 0.00 0.00 41.96 40.27 3ago s TYR 14 CO 0.08 0.60 0.53 -1.54 -1.57 0.00 0.00 175.55 173.64 3ago s SER 15 N -3.22 5.71 0.35 2.29 1.04 -1.26 -1.24 113.70 117.37 3ago s SER 15 Ca 0.27 -0.37 0.08 0.00 0.48 0.00 0.00 55.95 56.42 3ago s SER 15 Cb -0.07 -0.82 0.80 0.00 0.10 0.00 0.00 66.02 66.03 3ago s SER 15 CO 0.15 -0.66 1.86 -0.55 0.98 0.00 0.00 173.24 175.03 3ago h ASN 16 N 0.74 0.68 -0.40 7.02 -1.07 -1.19 -1.34 115.58 120.01 3ago h ASN 16 Ca -0.42 0.04 -0.01 0.00 0.07 0.00 0.00 56.30 55.99 3ago h ASN 16 Cb 1.27 -0.09 -0.02 0.00 -2.07 0.00 0.00 38.32 37.41 3ago h ASN 16 CO 0.48 0.34 0.22 0.44 0.07 0.00 0.00 177.43 178.98 3ago h ASP 17 N 0.71 0.49 -0.58 6.14 3.32 -1.89 -0.45 116.42 124.16 3ago h ASP 17 Ca 0.46 -0.08 0.03 0.00 0.02 0.00 0.00 57.03 57.46 3ago h ASP 17 Cb 0.72 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 40.11 3ago h ASP 17 CO -0.22 0.42 0.35 0.44 -1.72 0.00 0.00 179.24 178.52 3ago h ASP 18 N 0.51 0.57 -0.02 6.45 3.32 -1.63 0.24 116.42 125.86 3ago h ASP 18 Ca 0.14 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.19 3ago h ASP 18 Cb 0.04 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.47 3ago h ASP 18 CO -0.02 0.40 0.00 0.40 -1.72 0.00 0.00 179.24 178.30 3ago h ILE 19 N 0.70 1.22 -0.62 0.35 2.04 -1.07 -1.67 117.51 118.45 3ago h ILE 19 Ca 0.24 -0.65 0.02 0.00 1.00 0.00 0.00 64.86 65.47 3ago h ILE 19 Cb 0.02 1.61 -0.04 0.00 -0.74 0.00 0.00 36.82 37.68 3ago h ILE 19 CO -0.10 0.17 0.39 -1.13 0.00 0.00 0.00 178.15 177.48 3ago h ASN 20 N -0.22 0.63 -1.00 1.72 -1.24 -0.99 -2.38 115.58 112.09 3ago h ASN 20 Ca 0.01 -0.00 0.02 0.00 0.71 0.00 0.00 56.30 57.03 3ago h ASN 20 Cb 0.28 -0.14 -0.05 0.00 0.73 0.00 0.00 38.32 39.14 3ago h ASN 20 CO 0.00 0.44 0.66 0.74 -1.29 0.00 0.00 177.43 177.99 3ago h THR 21 N 0.76 1.23 -0.20 -3.57 2.02 -0.83 -0.06 112.91 112.27 3ago h THR 21 Ca 0.25 -0.46 -0.01 0.00 0.77 0.00 0.00 66.41 66.96 3ago h THR 21 Cb 0.00 -0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 66.19 3ago h THR 21 CO -0.10 0.24 0.10 0.00 0.37 0.00 0.00 175.52 176.13 3ago h ALA 22 N 1.38 0.26 -0.41 6.16 0.00 -0.87 -0.35 119.26 125.42 3ago h ALA 22 Ca 0.38 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.14 3ago h ALA 22 Cb -0.11 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3ago h ALA 22 CO -0.09 -0.19 -0.01 0.82 0.00 0.00 0.00 179.25 179.79 3ago h ILE 23 N 0.19 1.26 -0.84 0.00 2.04 -1.03 -0.57 117.51 118.56 3ago h ILE 23 Ca 0.07 -1.03 0.03 0.00 1.00 0.00 0.00 64.86 64.93 3ago h ILE 23 Cb 0.12 1.11 -0.05 0.00 -0.74 0.00 0.00 36.82 37.26 3ago h ILE 23 CO -0.01 0.35 0.54 -0.61 0.00 0.00 0.00 178.15 178.42 3ago h GLN 24 N 0.56 1.03 -0.64 2.37 5.75 -0.97 -0.09 115.11 123.13 3ago h GLN 24 Ca 0.12 -0.06 -0.07 0.00 -0.15 0.00 0.00 58.65 58.48 3ago h GLN 24 Cb 0.49 -0.23 -0.03 0.00 1.07 0.00 0.00 27.48 28.78 3ago h GLN 24 CO 0.02 0.68 0.11 0.78 -2.65 0.00 0.00 178.83 177.78 3ago h GLY 25 N 1.06 1.13 0.92 2.39 0.00 -0.79 -0.69 103.07 107.10 3ago h GLY 25 Ca 0.33 -0.74 0.01 0.00 0.00 0.00 0.00 47.33 46.93 3ago h GLY 25 CO -0.11 0.69 0.15 0.00 0.00 0.00 0.00 176.54 177.27 3ago h ALA 26 N 1.04 0.34 -0.32 3.60 0.00 -0.50 -0.97 119.26 122.44 3ago h ALA 26 Ca 0.19 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 3ago h ALA 26 Cb 0.42 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3ago h ALA 26 CO 0.01 -0.23 -0.23 -0.07 0.00 0.00 0.00 179.25 178.73 3ago h LEU 27 N 0.32 0.63 -0.49 0.00 3.38 -0.89 -1.90 115.31 116.36 3ago h LEU 27 Ca 0.11 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3ago h LEU 27 Cb 0.01 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.58 3ago h LEU 27 CO -0.06 0.85 0.00 0.47 0.09 0.00 0.00 178.44 179.79 3ago n ASP 28 N -4.12 0.55 -3.28 -0.43 8.00 -0.28 -4.94 116.55 112.05 3ago n ASP 28 Ca 0.00 0.62 -0.15 0.00 0.71 0.00 0.00 54.79 55.98 3ago n ASP 28 Cb 0.41 -0.75 0.05 0.00 -0.02 0.00 0.00 41.12 40.82 3ago n ASP 28 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3ago n ASP 29 N -2.10 -6.66 -0.55 -2.24 2.03 -0.39 -4.93 116.55 101.71 3ago n ASP 29 Ca 0.03 -0.65 0.13 0.00 0.52 0.00 0.00 54.79 54.82 3ago n ASP 29 Cb 0.24 -4.95 0.45 0.00 -0.72 0.00 0.00 41.12 36.15 3ago n ASP 29 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 3ago n VAL 30 N -3.10 0.03 -3.36 5.18 0.24 -1.04 -4.68 118.33 111.60 3ago n VAL 30 Ca -0.06 -0.30 -0.45 0.00 -2.04 0.00 0.00 64.34 61.49 3ago n VAL 30 Cb 0.60 0.61 -0.05 0.00 -1.47 0.00 0.00 33.84 33.52 3ago n VAL 30 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ago s ALA 31 N -1.97 3.71 -0.06 2.33 0.00 -1.26 -2.22 121.76 122.29 3ago s ALA 31 Ca 0.36 -2.75 0.09 0.00 0.00 0.00 0.00 51.96 49.67 3ago s ALA 31 Cb 0.21 -3.24 0.14 0.00 0.00 0.00 0.00 23.12 20.23 3ago s ALA 31 CO 0.32 -2.07 1.04 0.09 0.00 0.00 0.00 175.76 175.15 3ago n ASN 32 N 4.84 1.32 -3.48 0.00 3.02 -0.40 -4.57 115.26 115.99 3ago n ASN 32 Ca -0.06 -2.46 -0.31 0.00 -0.03 0.00 0.00 54.58 51.72 3ago n ASN 32 Cb 0.42 -0.28 0.27 0.00 -0.61 0.00 0.00 39.78 39.58 3ago n ASN 32 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3ago s GLY 33 N -1.85 1.49 -0.34 7.41 0.00 -1.20 -4.45 107.32 108.37 3ago s GLY 33 Ca 0.16 -0.95 0.02 0.00 0.00 0.00 0.00 44.72 43.94 3ago s GLY 33 CO 0.01 0.04 1.73 1.22 0.00 0.00 0.00 173.10 176.10 3ago n ASP 34 N -5.33 4.37 -4.76 1.64 8.00 -1.26 -4.84 116.55 114.36 3ago n ASP 34 Ca 0.14 -3.16 -0.41 0.00 0.71 0.00 0.00 54.79 52.07 3ago n ASP 34 Cb 0.60 -0.81 0.00 0.00 -0.02 0.00 0.00 41.12 40.90 3ago n ASP 34 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3ago n ARG 35 N -0.51 2.54 0.20 -1.24 1.74 -1.26 -4.89 116.66 113.24 3ago n ARG 35 Ca 0.41 0.89 0.05 0.00 -0.77 0.00 0.00 57.85 58.44 3ago n ARG 35 Cb 1.13 -2.62 0.43 0.00 -1.02 0.00 0.00 32.46 30.39 3ago n ARG 35 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3ago h PRO 36 N 2.80 0.00 -3.02 5.56 0.13 -2.03 -3.26 132.00 132.17 3ago h PRO 36 Ca -0.50 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 63.93 3ago h PRO 36 Cb 1.25 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 32.03 3ago h PRO 36 CO 0.63 0.31 -0.05 -0.25 -0.23 0.00 0.00 178.00 178.41 3ago n ASP 37 N -3.93 4.47 -4.74 1.44 9.92 -1.26 -5.06 116.55 117.38 3ago n ASP 37 Ca -0.02 -3.24 -0.33 0.00 -0.53 0.00 0.00 54.79 50.67 3ago n ASP 37 Cb 0.38 -1.01 0.08 0.00 -0.64 0.00 0.00 41.12 39.93 3ago n ASP 37 CO 0.00 0.00 0.00 0.20 0.13 0.00 0.00 177.20 177.53 3ago s ASN 38 N -0.91 4.56 0.61 -2.24 0.02 -1.23 -4.99 114.94 110.76 3ago s ASN 38 Ca 0.31 2.18 -0.15 0.00 -1.02 0.00 0.00 52.86 54.17 3ago s ASN 38 Cb -0.01 -2.57 -0.03 0.00 0.02 0.00 0.00 41.25 38.67 3ago s ASN 38 CO -0.07 -2.01 1.07 -0.31 0.02 0.00 0.00 177.10 175.80 3ago s TYR 39 N -2.19 2.93 0.81 2.20 2.02 -1.26 -4.46 117.35 117.40 3ago s TYR 39 Ca 0.70 1.51 -0.10 0.00 -0.37 0.00 0.00 57.07 58.81 3ago s TYR 39 Cb -0.25 -3.03 0.08 0.00 -0.40 0.00 0.00 41.96 38.37 3ago s TYR 39 CO 0.44 -1.22 1.11 -1.25 -1.57 0.00 0.00 175.55 173.06 3ago s PRO 40 N -4.15 1.93 0.20 -1.71 0.04 -1.26 -4.46 135.00 125.59 3ago s PRO 40 Ca 0.64 1.28 0.09 0.00 0.04 0.00 0.00 61.00 63.05 3ago s PRO 40 Cb -0.17 -1.85 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 3ago s PRO 40 CO 0.39 -1.91 -0.05 -1.01 0.04 0.00 0.00 177.00 174.47 3ago s HIS 41 N -2.82 2.70 0.40 0.56 3.76 -0.43 -4.94 115.29 114.52 3ago s HIS 41 Ca 0.63 -0.20 -0.26 0.00 -0.15 0.00 0.00 55.06 55.08 3ago s HIS 41 Cb -0.19 -1.28 -0.09 0.00 1.11 0.00 0.00 32.58 32.13 3ago s HIS 41 CO 0.56 0.55 1.27 -0.65 -0.85 0.00 0.00 174.74 175.61 3ago s GLN 42 N -3.10 4.01 -0.14 1.40 1.11 -1.26 -0.44 119.66 121.24 3ago s GLN 42 Ca 0.27 2.08 -0.02 0.00 0.01 0.00 0.00 55.36 57.70 3ago s GLN 42 Cb -0.08 -2.75 -0.02 0.00 -1.01 0.00 0.00 33.01 29.14 3ago s GLN 42 CO 0.17 -0.43 -0.07 -0.47 0.01 0.00 0.00 175.29 174.50 3ago s TYR 43 N -1.29 2.96 0.06 0.91 5.04 -0.58 -4.72 117.35 119.72 3ago s TYR 43 Ca 0.56 -0.35 0.08 0.00 -2.44 0.00 0.00 57.07 54.93 3ago s TYR 43 Cb -0.36 -1.90 -0.03 0.00 0.35 0.00 0.00 41.96 40.02 3ago s TYR 43 CO 0.46 -0.04 -0.22 0.71 -1.34 0.00 0.00 175.55 175.13 3ago s TYR 44 N 0.21 2.44 0.24 4.97 2.02 -1.26 -4.21 117.35 121.76 3ago s TYR 44 Ca -0.04 -0.33 -0.30 0.00 -0.37 0.00 0.00 57.07 56.03 3ago s TYR 44 Cb -0.14 -1.40 -0.10 0.00 -0.40 0.00 0.00 41.96 39.91 3ago s TYR 44 CO 0.04 0.22 1.41 0.34 -1.57 0.00 0.00 175.55 175.98 3ago s ASP 45 N -1.48 6.71 -0.28 2.29 2.15 -1.26 -4.99 116.67 119.81 3ago s ASP 45 Ca 0.14 2.61 -0.01 0.00 0.43 0.00 0.00 52.55 55.72 3ago s ASP 45 Cb -0.10 -2.62 0.09 0.00 -0.30 0.00 0.00 42.92 39.98 3ago s ASP 45 CO 0.04 -0.66 0.07 -1.61 -0.17 0.00 0.00 175.17 172.84 3ago s GLU 46 N -0.40 0.85 0.37 4.34 2.02 -1.26 -5.03 118.70 119.59 3ago s GLU 46 Ca 0.58 -0.99 0.10 0.00 0.02 0.00 0.00 54.97 54.68 3ago s GLU 46 Cb -0.41 -2.15 0.84 0.00 0.10 0.00 0.00 34.13 32.51 3ago s GLU 46 CO 0.43 -0.87 1.89 0.00 0.02 0.00 0.00 175.26 176.72 3ago h ALA 47 N 8.07 1.86 0.00 5.21 0.00 -1.96 -0.18 119.26 132.27 3ago h ALA 47 Ca -0.14 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 3ago h ALA 47 Cb 1.04 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 3ago h ALA 47 CO 0.44 -0.08 -0.00 0.66 0.00 0.00 0.00 179.25 180.27 3ago h SER 48 N 0.66 0.00 1.12 0.00 4.64 -2.00 -1.18 113.55 116.79 3ago h SER 48 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 3ago h SER 48 Cb 0.69 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 3ago h SER 48 CO -0.18 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.16 3ago n GLU 49 N -3.09 0.21 -3.56 4.77 1.02 -0.08 -4.95 120.64 114.96 3ago n GLU 49 Ca -0.02 0.28 -0.21 0.00 -0.02 0.00 0.00 57.16 57.19 3ago n GLU 49 Cb 0.12 -1.80 0.08 0.00 -0.02 0.00 0.00 31.44 29.81 3ago n GLU 49 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3ago n ASP 50 N -2.17 -3.91 -4.52 1.62 2.03 -0.45 -4.61 116.55 104.54 3ago n ASP 50 Ca 0.04 -0.62 -0.35 0.00 0.52 0.00 0.00 54.79 54.39 3ago n ASP 50 Cb 0.34 -4.90 -0.12 0.00 -0.72 0.00 0.00 41.12 35.72 3ago n ASP 50 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3ago s ILE 51 N -3.37 4.28 -0.19 5.18 1.01 -1.26 -4.70 121.20 122.16 3ago s ILE 51 Ca 0.28 -0.20 -0.07 0.00 0.00 0.00 0.00 60.65 60.66 3ago s ILE 51 Cb -0.13 -2.94 -0.04 0.00 0.01 0.00 0.00 42.46 39.37 3ago s ILE 51 CO 0.74 0.43 0.05 -0.89 0.00 0.00 0.00 174.94 175.28 3ago s THR 52 N 0.79 4.61 0.22 2.92 2.01 -1.26 -4.99 115.64 119.93 3ago s THR 52 Ca 0.02 -0.09 -0.00 0.00 0.31 0.00 0.00 61.69 61.92 3ago s THR 52 Cb -0.14 -3.08 -0.04 0.00 0.01 0.00 0.00 72.50 69.25 3ago s THR 52 CO 0.02 0.45 0.41 -0.76 -0.69 0.00 0.00 174.62 174.04 3ago s LEU 53 N 0.56 4.21 -0.02 4.42 1.43 -1.26 -4.84 118.68 123.17 3ago s LEU 53 Ca 0.02 0.39 0.10 0.00 -1.03 0.00 0.00 54.13 53.62 3ago s LEU 53 Cb -0.13 -3.17 0.29 0.00 0.03 0.00 0.00 46.19 43.21 3ago s LEU 53 CO 0.01 -0.07 1.24 0.00 0.23 0.00 0.00 176.35 177.76 3ago n GLY 56 N 0.74 -0.64 3.78 0.00 0.00 -1.26 -4.90 105.19 102.90 3ago n GLY 56 Ca 0.08 -1.26 -0.34 0.00 0.00 0.00 0.00 46.02 44.50 3ago n GLY 56 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ago s SER 57 N -4.00 5.45 1.24 1.61 1.04 -1.26 -5.04 113.70 112.74 3ago s SER 57 Ca 0.00 2.05 -0.19 0.00 0.48 0.00 0.00 55.95 58.29 3ago s SER 57 Cb 0.00 -2.56 0.28 0.00 0.10 0.00 0.00 66.02 63.84 3ago s SER 57 CO 0.00 -1.40 1.01 0.61 0.98 0.00 0.00 173.24 174.44 3ago n GLY 58 N -0.28 -2.77 3.77 7.32 0.00 -1.26 -4.80 105.19 107.16 3ago n GLY 58 Ca 0.11 -1.49 -0.35 0.00 0.00 0.00 0.00 46.02 44.29 3ago n GLY 58 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3ago s PRO 59 N -5.29 3.23 0.15 1.61 0.02 -1.26 -5.02 135.00 128.44 3ago s PRO 59 Ca 0.66 1.62 0.11 0.00 0.02 0.00 0.00 61.00 63.41 3ago s PRO 59 Cb -0.07 -1.99 -0.04 0.00 0.02 0.00 0.00 34.50 32.43 3ago s PRO 59 CO 0.50 -0.95 -0.25 -1.58 -0.33 0.00 0.00 177.00 174.40 3ago s TRP 60 N -1.81 2.33 0.22 6.54 0.51 -1.26 -1.22 118.94 124.26 3ago s TRP 60 Ca 0.73 -0.36 0.05 0.00 -2.12 0.00 0.00 56.10 54.40 3ago s TRP 60 Cb -0.24 -1.22 -0.05 0.00 -0.81 0.00 0.00 33.47 31.14 3ago s TRP 60 CO 0.29 0.40 -0.06 -1.12 -0.51 0.00 0.00 176.95 175.96 3ago s SER 61 N -2.30 2.18 0.03 2.95 0.01 -0.16 -1.52 113.70 114.88 3ago s SER 61 Ca 0.17 -1.14 0.00 0.00 1.31 0.00 0.00 55.95 56.29 3ago s SER 61 Cb -0.09 -0.06 -0.02 0.00 0.21 0.00 0.00 66.02 66.05 3ago s SER 61 CO 0.08 -0.38 -0.04 -1.83 0.41 0.00 0.00 173.24 171.49 3ago s GLU 62 N -3.77 0.39 -0.02 12.44 4.04 0.42 -1.11 118.70 131.09 3ago s GLU 62 Ca 0.25 -0.75 -0.10 0.00 0.04 0.00 0.00 54.97 54.41 3ago s GLU 62 Cb 0.04 0.08 0.01 0.00 0.02 0.00 0.00 34.13 34.28 3ago s GLU 62 CO 0.08 -0.05 0.23 0.12 -1.84 0.00 0.00 175.26 173.79 3ago s PHE 63 N -1.94 -0.11 0.33 4.83 5.36 -0.72 -1.32 117.98 124.41 3ago s PHE 63 Ca -0.11 0.19 -0.29 0.00 -0.96 0.00 0.00 56.93 55.76 3ago s PHE 63 Cb -0.06 0.04 -0.12 0.00 -0.34 0.00 0.00 43.02 42.54 3ago s PHE 63 CO -0.03 -0.29 1.51 -2.30 -1.46 0.00 0.00 175.22 172.66 3ago n PRO 64 N 1.71 2.61 -3.59 10.12 -0.02 -1.26 -1.35 135.00 143.23 3ago n PRO 64 Ca -0.20 0.92 -0.40 0.00 -2.02 0.00 0.00 63.50 61.80 3ago n PRO 64 Cb 0.56 -2.66 -0.11 0.00 -0.02 0.00 0.00 33.50 31.27 3ago n PRO 64 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3ago s LEU 65 N -1.19 4.65 0.09 2.45 2.96 -0.23 -4.59 118.68 122.82 3ago s LEU 65 Ca 0.59 -0.87 0.01 0.00 -0.22 0.00 0.00 54.13 53.64 3ago s LEU 65 Cb -0.50 -2.04 -0.04 0.00 0.50 0.00 0.00 46.19 44.11 3ago s LEU 65 CO 0.56 -0.35 -0.06 0.68 -1.32 0.00 0.00 176.35 175.86 3ago s VAL 66 N 1.59 0.59 0.54 1.68 -7.23 -1.26 -4.51 120.40 111.80 3ago s VAL 66 Ca 0.03 -1.86 -0.19 0.00 -1.81 0.00 0.00 61.98 58.15 3ago s VAL 66 Cb -0.19 -1.58 -0.06 0.00 0.56 0.00 0.00 36.38 35.11 3ago s VAL 66 CO 0.07 -0.87 1.09 -0.31 -0.31 0.00 0.00 175.10 174.77 3ago s TYR 67 N -3.55 2.82 -1.43 2.82 2.02 -1.26 -3.94 117.35 114.84 3ago s TYR 67 Ca 0.10 1.55 -0.06 0.00 -0.37 0.00 0.00 57.07 58.29 3ago s TYR 67 Cb 0.05 -3.16 0.04 0.00 -0.40 0.00 0.00 41.96 38.49 3ago s TYR 67 CO -0.05 -1.26 0.75 0.09 -1.57 0.00 0.00 175.55 173.51 3ago n ASN 68 N -1.41 -2.39 -2.45 2.29 3.02 -1.26 -4.92 115.26 108.14 3ago n ASN 68 Ca 0.10 -0.85 -0.07 0.00 -0.03 0.00 0.00 54.58 53.73 3ago n ASN 68 Cb 0.52 -3.74 0.05 0.00 -0.61 0.00 0.00 39.78 35.99 3ago n ASN 68 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ago n GLY 69 N -1.68 -1.06 3.84 7.41 0.00 -1.25 -4.86 105.19 107.59 3ago n GLY 69 Ca -0.16 -1.70 -0.31 0.00 0.00 0.00 0.00 46.02 43.84 3ago n GLY 69 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ago s PRO 70 N -3.62 3.40 0.26 1.61 0.04 -1.26 -5.03 135.00 130.39 3ago s PRO 70 Ca 0.17 0.90 -0.30 0.00 0.04 0.00 0.00 61.00 61.82 3ago s PRO 70 Cb -0.00 -2.05 -0.14 0.00 0.04 0.00 0.00 34.50 32.34 3ago s PRO 70 CO 0.12 -0.73 1.14 0.98 0.04 0.00 0.00 177.00 178.55 3ago n TYR 71 N -2.62 1.55 -3.94 0.56 4.19 -1.26 -5.00 117.16 110.64 3ago n TYR 71 Ca 0.07 0.64 -0.09 0.00 3.31 0.00 0.00 57.90 61.82 3ago n TYR 71 Cb 0.54 -2.31 -0.06 0.00 0.49 0.00 0.00 39.34 38.00 3ago n TYR 71 CO 0.00 0.00 0.00 1.52 0.91 0.00 0.00 176.86 179.29 3ago s TYR 72 N -0.71 0.32 0.02 2.98 -0.85 -1.26 -4.66 117.35 113.18 3ago s TYR 72 Ca 0.63 -0.67 -0.18 0.00 -0.52 0.00 0.00 57.07 56.33 3ago s TYR 72 Cb -0.71 0.08 0.03 0.00 0.38 0.00 0.00 41.96 41.75 3ago s TYR 72 CO 0.57 -0.83 0.40 -1.54 -1.52 0.00 0.00 175.55 172.62 3ago s SER 73 N -2.97 -0.28 0.35 -0.18 1.04 -0.94 -2.29 113.70 108.43 3ago s SER 73 Ca 0.18 0.07 0.03 0.00 0.48 0.00 0.00 55.95 56.71 3ago s SER 73 Cb 0.01 0.40 -0.01 0.00 0.10 0.00 0.00 66.02 66.52 3ago s SER 73 CO 0.03 -0.59 0.39 -0.94 0.98 0.00 0.00 173.24 173.10 3ago s SER 74 N -1.75 1.41 0.06 7.02 1.04 -0.02 -1.28 113.70 120.18 3ago s SER 74 Ca -0.08 -1.66 -0.35 0.00 0.48 0.00 0.00 55.95 54.34 3ago s SER 74 Cb -0.02 0.63 -0.14 0.00 0.10 0.00 0.00 66.02 66.59 3ago s SER 74 CO 0.01 -1.21 1.60 -1.14 0.98 0.00 0.00 173.24 173.47 3ago n ARG 75 N -0.62 1.84 -1.62 4.02 0.63 -1.26 -1.28 116.66 118.37 3ago n ARG 75 Ca 0.04 0.67 -0.16 0.00 -0.92 0.00 0.00 57.85 57.48 3ago n ARG 75 Cb 0.62 -2.42 -0.06 0.00 0.45 0.00 0.00 32.46 31.05 3ago n ARG 75 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3ago n ASP 76 N 4.00 -4.96 -3.29 6.15 8.00 -1.26 -4.95 116.55 120.25 3ago n ASP 76 Ca 0.19 0.33 -0.05 0.00 0.71 0.00 0.00 54.79 55.97 3ago n ASP 76 Cb 0.25 -3.94 -0.06 0.00 -0.02 0.00 0.00 41.12 37.36 3ago n ASP 76 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3ago s ASN 77 N -2.73 -0.26 -0.07 -2.24 2.47 -0.40 -5.14 114.94 106.57 3ago s ASN 77 Ca 0.00 0.40 0.01 0.00 0.42 0.00 0.00 52.86 53.69 3ago s ASN 77 Cb 0.00 1.44 0.02 0.00 -1.45 0.00 0.00 41.25 41.26 3ago s ASN 77 CO 0.00 -0.29 -0.09 -0.31 -3.72 0.00 0.00 177.10 172.69 3ago s TYR 78 N 2.64 1.29 0.57 0.43 1.51 -1.26 -0.84 117.35 121.69 3ago s TYR 78 Ca 0.15 -0.50 -0.20 0.00 -1.01 0.00 0.00 57.07 55.51 3ago s TYR 78 Cb -0.15 -1.01 -0.04 0.00 -0.11 0.00 0.00 41.96 40.65 3ago s TYR 78 CO -0.18 -0.32 1.24 0.08 -1.11 0.00 0.00 175.55 175.27 3ago s VAL 79 N 1.00 2.50 -0.00 0.71 1.01 -0.97 -4.98 120.40 119.68 3ago s VAL 79 Ca -0.09 0.34 -0.30 0.00 0.00 0.00 0.00 61.98 61.93 3ago s VAL 79 Cb -0.15 -3.15 -0.05 0.00 0.00 0.00 0.00 36.38 33.04 3ago s VAL 79 CO -0.00 -0.05 1.31 -0.55 0.00 0.00 0.00 175.10 175.81 3ago s SER 80 N -1.40 6.95 0.40 3.32 0.15 -1.26 -4.89 113.70 116.97 3ago s SER 80 Ca 0.75 2.01 0.14 0.00 0.70 0.00 0.00 55.95 59.55 3ago s SER 80 Cb -0.33 -2.56 0.84 0.00 -1.71 0.00 0.00 66.02 62.26 3ago s SER 80 CO 0.37 -0.64 1.90 -0.65 1.20 0.00 0.00 173.24 175.42 3ago h PRO 81 N 7.51 0.00 0.00 5.44 0.11 -1.97 -3.49 132.00 139.60 3ago h PRO 81 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3ago h PRO 81 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3ago h PRO 81 CO 0.88 0.29 0.00 0.41 -0.21 0.00 0.00 178.00 179.37 3ago n GLY 82 N -0.68 -0.38 0.02 -0.55 0.00 -1.26 -4.36 105.19 97.96 3ago n GLY 82 Ca -0.02 -0.98 0.11 0.00 0.00 0.00 0.00 46.02 45.13 3ago n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3ago n PRO 83 N -1.06 0.14 -4.02 1.61 -0.04 -1.26 -4.98 135.00 125.39 3ago n PRO 83 Ca 0.00 -0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.14 3ago n PRO 83 Cb 0.00 -1.55 -0.06 0.00 -0.04 0.00 0.00 33.50 31.85 3ago n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3ago s ASP 84 N -3.46 5.87 0.03 3.54 1.01 -1.26 -0.84 116.67 121.56 3ago s ASP 84 Ca 0.07 0.17 -0.01 0.00 0.71 0.00 0.00 52.55 53.48 3ago s ASP 84 Cb 0.16 -1.71 -0.02 0.00 1.01 0.00 0.00 42.92 42.35 3ago s ASP 84 CO 0.79 0.23 -0.01 -0.13 0.21 0.00 0.00 175.17 176.26 3ago s ARG 85 N -2.04 0.43 -0.08 8.23 1.81 0.18 -1.07 118.95 126.41 3ago s ARG 85 Ca 0.27 -0.77 -0.04 0.00 -1.72 0.00 0.00 55.73 53.47 3ago s ARG 85 Cb -0.12 0.15 -0.04 0.00 -0.45 0.00 0.00 34.95 34.49 3ago s ARG 85 CO 0.19 -0.08 0.10 0.54 -0.68 0.00 0.00 175.30 175.36 3ago s VAL 86 N -2.21 5.05 -0.11 3.52 0.11 -0.46 -1.74 120.40 124.56 3ago s VAL 86 Ca -0.09 -0.06 -0.01 0.00 -2.93 0.00 0.00 61.98 58.89 3ago s VAL 86 Cb -0.04 -3.22 -0.03 0.00 -1.53 0.00 0.00 36.38 31.56 3ago s VAL 86 CO -0.04 0.54 -0.05 -0.63 -3.33 0.00 0.00 175.10 171.60 3ago s ILE 87 N -1.05 3.84 0.09 7.04 -1.09 -0.00 -1.76 121.20 128.26 3ago s ILE 87 Ca 0.17 -0.41 -0.03 0.00 -2.23 0.00 0.00 60.65 58.16 3ago s ILE 87 Cb -0.12 -2.62 -0.03 0.00 -1.58 0.00 0.00 42.46 38.11 3ago s ILE 87 CO 0.07 0.55 0.05 -0.72 -1.23 0.00 0.00 174.94 173.66 3ago s TYR 88 N -0.29 0.55 -0.20 3.97 1.13 -0.27 -0.79 117.35 121.45 3ago s TYR 88 Ca 0.05 -1.02 -0.29 0.00 -1.41 0.00 0.00 57.07 54.40 3ago s TYR 88 Cb -0.13 -0.34 0.00 0.00 -1.10 0.00 0.00 41.96 40.40 3ago s TYR 88 CO 0.02 -0.47 1.11 -1.14 -2.51 0.00 0.00 175.55 172.56 3ago s GLN 89 N -3.95 4.26 0.24 -3.49 0.74 -0.23 -0.99 119.66 116.25 3ago s GLN 89 Ca 0.12 1.46 -0.04 0.00 0.05 0.00 0.00 55.36 56.95 3ago s GLN 89 Cb 0.07 -3.67 0.38 0.00 1.10 0.00 0.00 33.01 30.89 3ago s GLN 89 CO -0.06 -0.63 1.82 1.15 -0.55 0.00 0.00 175.29 177.03 3ago h THR 90 N 5.43 0.95 0.00 -0.34 2.02 -1.47 0.70 112.91 120.20 3ago h THR 90 Ca -0.22 -0.29 -0.05 0.00 0.77 0.00 0.00 66.41 66.62 3ago h THR 90 Cb 1.08 0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 3ago h THR 90 CO 0.97 0.16 -0.23 0.78 0.37 0.00 0.00 175.52 177.56 3ago h ASN 91 N 0.85 0.00 0.00 4.18 2.35 -1.92 -3.37 115.58 117.67 3ago h ASN 91 Ca 0.39 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.14 3ago h ASN 91 Cb 0.31 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.68 3ago h ASN 91 CO -0.22 0.23 -0.68 0.35 -1.65 0.00 0.00 177.43 175.46 3ago n THR 92 N -3.58 0.00 -0.40 2.81 -2.24 -0.87 -5.03 114.28 104.96 3ago n THR 92 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 3ago n THR 92 Cb 0.37 -0.46 0.00 0.00 -2.10 0.00 0.00 70.33 68.14 3ago n THR 92 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ago n GLY 93 N 2.09 1.16 3.75 3.38 0.00 0.19 -5.02 105.19 110.74 3ago n GLY 93 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3ago n GLY 93 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ago s GLU 94 N -0.39 4.21 0.27 1.61 2.56 -1.26 -4.60 118.70 121.11 3ago s GLU 94 Ca 0.00 2.41 -0.30 0.00 0.00 0.00 0.00 54.97 57.08 3ago s GLU 94 Cb 0.00 -3.07 -0.10 0.00 2.00 0.00 0.00 34.13 32.96 3ago s GLU 94 CO 0.00 -0.49 1.47 0.12 -0.56 0.00 0.00 175.26 175.80 3ago s PHE 95 N -0.12 2.94 -0.08 5.30 5.36 -1.26 -1.06 117.98 129.05 3ago s PHE 95 Ca 0.60 1.01 -0.02 0.00 -0.96 0.00 0.00 56.93 57.56 3ago s PHE 95 Cb -0.44 -3.88 -0.04 0.00 -0.34 0.00 0.00 43.02 38.32 3ago s PHE 95 CO 0.46 -2.83 -0.09 0.00 -1.46 0.00 0.00 175.22 171.30 3ago s ALA 97 N -2.16 -2.18 -0.07 0.00 0.00 -1.14 -1.05 121.76 115.17 3ago s ALA 97 Ca -0.11 1.23 0.02 0.00 0.00 0.00 0.00 51.96 53.09 3ago s ALA 97 Cb 0.04 0.07 -0.03 0.00 0.00 0.00 0.00 23.12 23.20 3ago s ALA 97 CO 0.17 -0.81 -0.10 0.95 0.00 0.00 0.00 175.76 175.97 3ago s THR 98 N -2.36 3.38 0.19 0.00 -4.23 -1.26 -0.82 115.64 110.54 3ago s THR 98 Ca 0.12 -0.60 0.01 0.00 -1.18 0.00 0.00 61.69 60.04 3ago s THR 98 Cb 0.02 -2.36 -0.05 0.00 1.34 0.00 0.00 72.50 71.45 3ago s THR 98 CO -0.04 0.59 0.06 0.68 -0.54 0.00 0.00 174.62 175.36 3ago s VAL 99 N -0.66 0.44 0.00 2.29 -7.23 -0.71 -1.49 120.40 113.04 3ago s VAL 99 Ca 0.10 -1.97 -0.13 0.00 -1.81 0.00 0.00 61.98 58.17 3ago s VAL 99 Cb -0.11 -2.29 0.02 0.00 0.56 0.00 0.00 36.38 34.55 3ago s VAL 99 CO 0.01 -0.28 0.26 0.28 -0.31 0.00 0.00 175.10 175.06 3ago s THR 100 N -3.83 0.07 -0.19 5.32 -1.32 -0.11 -0.65 115.64 114.93 3ago s THR 100 Ca 0.30 -0.58 0.26 0.00 -1.21 0.00 0.00 61.69 60.46 3ago s THR 100 Cb 0.07 -0.63 0.33 0.00 -1.51 0.00 0.00 72.50 70.75 3ago s THR 100 CO 0.07 -0.32 1.74 0.45 -2.21 0.00 0.00 174.62 174.35 3ago h HIS 101 N 3.85 0.00 -2.79 9.09 3.86 -1.17 -0.04 115.15 127.95 3ago h HIS 101 Ca -0.30 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.38 3ago h HIS 101 Cb 1.18 0.00 0.03 0.00 1.06 0.00 0.00 27.41 29.68 3ago h HIS 101 CO 0.53 0.06 0.91 0.99 0.86 0.00 0.00 177.93 181.28 3ago s THR 102 N -3.38 3.00 -0.26 2.45 2.01 -1.26 -2.55 115.64 115.66 3ago s THR 102 Ca 0.04 0.59 0.00 0.00 0.31 0.00 0.00 61.69 62.63 3ago s THR 102 Cb 0.07 -3.38 0.00 0.00 0.01 0.00 0.00 72.50 69.20 3ago s THR 102 CO 0.63 0.02 0.00 0.61 -0.69 0.00 0.00 174.62 175.19 3ago n GLY 103 N 3.82 0.54 3.78 4.40 0.00 -1.26 -4.72 105.19 111.75 3ago n GLY 103 Ca 0.14 -0.28 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 3ago n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ago s ALA 104 N -1.89 2.44 0.34 4.61 0.00 -1.06 -4.92 121.76 121.29 3ago s ALA 104 Ca 0.00 0.39 0.22 0.00 0.00 0.00 0.00 51.96 52.57 3ago s ALA 104 Cb 0.00 -3.28 1.11 0.00 0.00 0.00 0.00 23.12 20.95 3ago s ALA 104 CO 0.00 -1.39 1.94 0.00 0.00 0.00 0.00 175.76 176.31 3ago h ALA 105 N -0.39 1.26 -2.80 0.00 0.00 -1.89 -3.46 119.26 111.98 3ago h ALA 105 Ca -0.45 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.20 3ago h ALA 105 Cb 1.23 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 18.89 3ago h ALA 105 CO 0.54 0.27 -0.11 -1.54 0.00 0.00 0.00 179.25 178.42 3ago s SER 106 N -6.41 -0.12 0.20 0.00 1.04 -1.26 -5.07 113.70 102.08 3ago s SER 106 Ca -0.02 -0.75 -0.33 0.00 0.48 0.00 0.00 55.95 55.33 3ago s SER 106 Cb 0.13 0.55 -0.14 0.00 0.10 0.00 0.00 66.02 66.67 3ago s SER 106 CO 0.64 -1.06 1.50 0.00 0.98 0.00 0.00 173.24 175.30 3ago n TYR 107 N -0.33 2.25 -0.79 5.02 9.36 -1.26 -1.00 117.16 130.42 3ago n TYR 107 Ca -0.06 0.34 0.00 0.00 3.32 0.00 0.00 57.90 61.50 3ago n TYR 107 Cb 0.62 -2.51 0.00 0.00 -0.63 0.00 0.00 39.34 36.82 3ago n TYR 107 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 3ago n ASP 108 N 2.81 -1.52 -4.79 2.98 8.00 -1.26 -4.99 116.55 117.77 3ago n ASP 108 Ca 0.14 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.33 3ago n ASP 108 Cb 0.30 -1.80 0.08 0.00 -0.02 0.00 0.00 41.12 39.69 3ago n ASP 108 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3ago s GLY 109 N -2.00 1.67 0.12 0.44 0.00 -0.17 -5.02 107.32 102.36 3ago s GLY 109 Ca 0.00 0.14 0.05 0.00 0.00 0.00 0.00 44.72 44.92 3ago s GLY 109 CO 0.00 0.49 0.04 -1.36 0.00 0.00 0.00 173.10 172.27 3ago s PHE 110 N -2.98 3.03 0.10 1.90 0.08 -1.26 -4.25 117.98 114.60 3ago s PHE 110 Ca 0.60 -0.03 0.03 0.00 0.12 0.00 0.00 56.93 57.66 3ago s PHE 110 Cb -0.16 -1.51 -0.04 0.00 -0.57 0.00 0.00 43.02 40.74 3ago s PHE 110 CO 0.56 0.50 -0.10 -0.08 -0.10 0.00 0.00 175.22 176.00 3ago s THR 111 N -1.51 0.89 0.23 0.64 -1.32 -0.03 -4.70 115.64 109.86 3ago s THR 111 Ca 0.28 -1.66 -0.30 0.00 -1.21 0.00 0.00 61.69 58.80 3ago s THR 111 Cb -0.11 -1.37 -0.09 0.00 -1.51 0.00 0.00 72.50 69.42 3ago s THR 111 CO 0.20 -0.59 1.05 -1.58 -2.21 0.00 0.00 174.62 171.49 3ago s GLN 112 N -2.88 4.69 0.92 7.08 0.74 -1.26 -0.93 119.66 128.01 3ago s GLN 112 Ca 0.06 1.68 -0.12 0.00 0.05 0.00 0.00 55.36 57.03 3ago s GLN 112 Cb -0.02 -3.25 0.14 0.00 1.10 0.00 0.00 33.01 30.98 3ago s GLN 112 CO -0.01 0.26 1.12 0.00 -0.55 0.00 0.00 175.29 176.11