#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3agn s ASP 2 N 0.00 7.11 0.19 0.00 1.01 -1.26 -4.62 116.67 119.11 3agn s ASP 2 Ca 0.00 1.64 -0.32 0.00 0.71 0.00 0.00 52.55 54.58 3agn s ASP 2 Cb 0.00 -2.51 -0.11 0.00 1.01 0.00 0.00 42.92 41.31 3agn s ASP 2 CO 0.00 -0.13 1.67 -0.63 0.21 0.00 0.00 175.17 176.29 3agn s ILE 3 N -1.77 2.24 0.72 0.77 1.01 -1.26 -4.96 121.20 117.95 3agn s ILE 3 Ca 0.52 0.17 -0.13 0.00 0.00 0.00 0.00 60.65 61.20 3agn s ILE 3 Cb -0.15 -3.11 0.03 0.00 0.01 0.00 0.00 42.46 39.24 3agn s ILE 3 CO 0.20 0.01 1.12 -2.16 0.00 0.00 0.00 174.94 174.11 3agn s PRO 4 N 1.13 2.44 0.32 2.79 0.04 -1.26 -4.93 135.00 135.54 3agn s PRO 4 Ca 0.73 1.39 0.01 0.00 0.04 0.00 0.00 61.00 63.17 3agn s PRO 4 Cb -0.48 -1.90 0.55 0.00 0.04 0.00 0.00 34.50 32.71 3agn s PRO 4 CO 0.32 -1.53 1.97 1.96 0.04 0.00 0.00 177.00 179.76 3agn h GLN 5 N -0.46 0.95 -3.31 4.56 1.08 -1.94 -3.22 115.11 112.77 3agn h GLN 5 Ca -0.46 -0.06 -0.02 0.00 -1.45 0.00 0.00 58.65 56.67 3agn h GLN 5 Cb 1.25 -0.21 -0.10 0.00 -0.05 0.00 0.00 27.48 28.37 3agn h GLN 5 CO 0.52 0.63 0.03 -1.54 -0.95 0.00 0.00 178.83 177.52 3agn s SER 6 N -6.29 -0.26 -0.05 1.46 1.04 -1.26 -1.78 113.70 106.57 3agn s SER 6 Ca -0.11 -0.49 -0.08 0.00 0.48 0.00 0.00 55.95 55.75 3agn s SER 6 Cb 0.18 0.58 0.01 0.00 0.10 0.00 0.00 66.02 66.90 3agn s SER 6 CO 0.78 -1.06 0.20 0.28 0.98 0.00 0.00 173.24 174.43 3agn s THR 7 N -3.88 0.03 -0.40 2.02 -1.32 -0.40 -4.97 115.64 106.73 3agn s THR 7 Ca 0.09 -0.28 -0.07 0.00 -1.21 0.00 0.00 61.69 60.22 3agn s THR 7 Cb -0.01 -0.38 0.08 0.00 -1.51 0.00 0.00 72.50 70.67 3agn s THR 7 CO -0.03 -0.15 0.21 0.21 -2.21 0.00 0.00 174.62 172.65 3agn s ASN 8 N -0.54 5.47 -0.91 8.08 3.84 -0.09 -0.77 114.94 130.01 3agn s ASN 8 Ca -0.06 -1.53 -0.15 0.00 0.21 0.00 0.00 52.86 51.33 3agn s ASN 8 Cb -0.04 -1.92 0.20 0.00 -0.55 0.00 0.00 41.25 38.94 3agn s ASN 8 CO 0.01 -0.49 0.95 0.00 -2.79 0.00 0.00 177.10 174.78 3agn n GLY 10 N 4.24 -0.51 0.00 0.00 0.00 -1.26 -1.45 105.19 106.21 3agn n GLY 10 Ca 0.19 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.28 3agn n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3agn n GLY 11 N -1.20 2.89 3.51 -0.02 0.00 -1.26 -5.03 105.19 104.07 3agn n GLY 11 Ca -0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 3agn n GLY 11 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3agn s ASN 12 N -1.37 6.33 -0.14 1.61 0.01 -0.53 -5.04 114.94 115.81 3agn s ASN 12 Ca 0.00 -0.39 -0.17 0.00 -0.71 0.00 0.00 52.86 51.59 3agn s ASN 12 Cb 0.00 -2.36 -0.04 0.00 0.41 0.00 0.00 41.25 39.26 3agn s ASN 12 CO 0.00 -0.94 0.43 -0.69 -1.51 0.00 0.00 177.10 174.39 3agn s VAL 13 N 3.17 5.21 0.17 1.60 1.01 -1.26 -0.39 120.40 129.91 3agn s VAL 13 Ca 0.25 0.85 0.10 0.00 0.00 0.00 0.00 61.98 63.18 3agn s VAL 13 Cb -0.14 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 3agn s VAL 13 CO 0.19 0.33 -0.20 -0.31 0.00 0.00 0.00 175.10 175.10 3agn s TYR 14 N 0.67 2.41 0.58 5.22 2.02 0.05 -4.96 117.35 123.34 3agn s TYR 14 Ca 0.23 -0.32 0.01 0.00 -0.37 0.00 0.00 57.07 56.62 3agn s TYR 14 Cb -0.15 -1.22 0.04 0.00 -0.40 0.00 0.00 41.96 40.24 3agn s TYR 14 CO 0.09 0.47 0.81 -1.54 -1.57 0.00 0.00 175.55 173.80 3agn s SER 15 N -2.55 5.15 0.35 2.29 1.04 -1.26 -1.28 113.70 117.44 3agn s SER 15 Ca 0.20 -0.04 0.05 0.00 0.48 0.00 0.00 55.95 56.65 3agn s SER 15 Cb -0.09 -0.78 0.70 0.00 0.10 0.00 0.00 66.02 65.95 3agn s SER 15 CO 0.11 -1.24 1.95 -0.55 0.98 0.00 0.00 173.24 174.48 3agn h ASN 16 N -0.02 0.71 -0.61 7.02 -1.07 -1.36 -1.81 115.58 118.43 3agn h ASN 16 Ca -0.41 0.00 -0.06 0.00 0.07 0.00 0.00 56.30 55.90 3agn h ASN 16 Cb 1.29 -0.15 -0.03 0.00 -2.07 0.00 0.00 38.32 37.37 3agn h ASN 16 CO 0.51 0.46 0.16 0.44 0.07 0.00 0.00 177.43 179.07 3agn h ASP 17 N 0.81 0.93 -0.80 6.14 5.19 -1.89 0.07 116.42 126.86 3agn h ASP 17 Ca 0.33 -0.23 -0.00 0.00 -0.62 0.00 0.00 57.03 56.51 3agn h ASP 17 Cb 0.26 -0.24 -0.04 0.00 0.18 0.00 0.00 39.33 39.49 3agn h ASP 17 CO -0.11 0.91 0.50 0.44 -3.12 0.00 0.00 179.24 177.86 3agn h ASP 18 N 0.89 0.95 -0.07 6.45 3.32 -1.71 -0.15 116.42 126.10 3agn h ASP 18 Ca 0.19 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 3agn h ASP 18 Cb 0.34 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.65 3agn h ASP 18 CO 0.00 0.72 -0.00 0.40 -1.72 0.00 0.00 179.24 178.64 3agn h ILE 19 N 1.09 1.25 -0.66 0.35 2.04 -1.12 -1.89 117.51 118.57 3agn h ILE 19 Ca 0.29 -0.79 0.04 0.00 1.00 0.00 0.00 64.86 65.40 3agn h ILE 19 Cb -0.07 1.64 -0.05 0.00 -0.74 0.00 0.00 36.82 37.60 3agn h ILE 19 CO -0.06 0.22 0.40 -1.13 0.00 0.00 0.00 178.15 177.58 3agn h ASN 20 N -0.15 0.63 -0.92 1.72 -1.24 -0.87 -2.06 115.58 112.67 3agn h ASN 20 Ca 0.02 0.01 0.02 0.00 0.71 0.00 0.00 56.30 57.06 3agn h ASN 20 Cb 0.35 -0.12 -0.05 0.00 0.73 0.00 0.00 38.32 39.23 3agn h ASN 20 CO 0.00 0.43 0.61 0.74 -1.29 0.00 0.00 177.43 177.92 3agn h THR 21 N 0.76 1.22 -0.15 -3.57 2.02 -0.88 0.03 112.91 112.34 3agn h THR 21 Ca 0.28 -0.42 -0.01 0.00 0.77 0.00 0.00 66.41 67.02 3agn h THR 21 Cb 0.08 -0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.36 3agn h THR 21 CO -0.13 0.22 0.05 0.00 0.37 0.00 0.00 175.52 176.04 3agn h ALA 22 N 1.43 0.19 -0.28 6.16 0.00 -0.81 -0.21 119.26 125.74 3agn h ALA 22 Ca 0.34 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 3agn h ALA 22 Cb -0.11 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3agn h ALA 22 CO -0.08 -0.21 0.08 0.82 0.00 0.00 0.00 179.25 179.85 3agn h ILE 23 N 0.07 1.20 -0.88 0.00 2.04 -1.04 -0.98 117.51 117.93 3agn h ILE 23 Ca 0.05 -0.66 0.04 0.00 1.00 0.00 0.00 64.86 65.29 3agn h ILE 23 Cb 0.19 1.12 -0.06 0.00 -0.74 0.00 0.00 36.82 37.33 3agn h ILE 23 CO -0.00 0.22 0.56 -0.61 0.00 0.00 0.00 178.15 178.31 3agn h GLN 24 N 0.28 1.03 -0.22 2.37 5.75 -0.97 -1.06 115.11 122.30 3agn h GLN 24 Ca 0.09 -0.06 -0.00 0.00 -0.15 0.00 0.00 58.65 58.52 3agn h GLN 24 Cb 0.26 -0.23 -0.01 0.00 1.07 0.00 0.00 27.48 28.56 3agn h GLN 24 CO -0.00 0.68 0.13 0.78 -2.65 0.00 0.00 178.83 177.77 3agn h GLY 25 N 1.07 0.31 0.56 2.39 0.00 -0.70 -0.86 103.07 105.84 3agn h GLY 25 Ca 0.36 -0.13 0.04 0.00 0.00 0.00 0.00 47.33 47.60 3agn h GLY 25 CO -0.13 0.13 -0.04 0.00 0.00 0.00 0.00 176.54 176.49 3agn h ALA 26 N 1.03 0.17 -0.51 3.60 0.00 -0.66 0.74 119.26 123.63 3agn h ALA 26 Ca 0.08 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3agn h ALA 26 Cb 0.03 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3agn h ALA 26 CO -0.01 -0.46 0.24 -0.07 0.00 0.00 0.00 179.25 178.95 3agn h LEU 27 N 0.02 0.67 -0.70 0.00 4.07 -1.08 -1.18 115.31 117.10 3agn h LEU 27 Ca 0.11 -0.13 -0.05 0.00 0.08 0.00 0.00 57.88 57.89 3agn h LEU 27 Cb 0.16 -0.17 -0.03 0.00 1.08 0.00 0.00 40.66 41.70 3agn h LEU 27 CO -0.22 0.61 0.26 0.44 -1.08 0.00 0.00 178.44 178.44 3agn h ASP 28 N 0.68 0.99 -0.48 -0.43 3.32 -0.86 -1.30 116.42 118.33 3agn h ASP 28 Ca 0.17 -0.19 -0.12 0.00 0.02 0.00 0.00 57.03 56.92 3agn h ASP 28 Cb 0.12 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 3agn h ASP 28 CO -0.02 0.91 -0.16 0.44 -1.72 0.00 0.00 179.24 178.69 3agn h ASP 29 N 1.02 0.98 -0.31 6.45 3.32 -0.50 0.13 116.42 127.50 3agn h ASP 29 Ca 0.23 -0.38 -0.01 0.00 0.02 0.00 0.00 57.03 56.89 3agn h ASP 29 Cb 0.25 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 3agn h ASP 29 CO -0.01 1.13 0.16 0.58 -1.72 0.00 0.00 179.24 179.38 3agn h VAL 30 N 0.82 1.15 -0.71 -1.35 2.07 -1.15 -0.90 116.25 116.18 3agn h VAL 30 Ca 0.12 -0.40 -0.00 0.00 0.82 0.00 0.00 66.70 67.23 3agn h VAL 30 Cb 0.73 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 3agn h VAL 30 CO 0.06 0.15 0.44 0.00 0.02 0.00 0.00 177.57 178.23 3agn h ALA 31 N 1.02 1.44 0.00 1.67 0.00 -0.85 -1.85 119.26 120.70 3agn h ALA 31 Ca 0.11 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3agn h ALA 31 Cb 0.09 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.60 3agn h ALA 31 CO -0.02 0.49 0.00 0.09 0.00 0.00 0.00 179.25 179.82 3agn n ASN 32 N -4.40 0.00 -2.18 0.00 3.02 0.43 -4.91 115.26 107.22 3agn n ASN 32 Ca 0.07 0.15 -0.18 0.00 -0.03 0.00 0.00 54.58 54.60 3agn n ASN 32 Cb 0.06 -0.38 0.01 0.00 -0.61 0.00 0.00 39.78 38.86 3agn n ASN 32 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3agn n GLY 33 N 1.26 -0.32 2.41 7.41 0.00 -0.70 -4.96 105.19 110.30 3agn n GLY 33 Ca 0.11 -0.11 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 3agn n GLY 33 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3agn s ASP 34 N -2.45 1.59 -0.46 1.61 2.15 -0.41 -5.04 116.67 113.66 3agn s ASP 34 Ca 0.10 -3.02 -0.24 0.00 0.43 0.00 0.00 52.55 49.81 3agn s ASP 34 Cb -0.04 -0.46 0.03 0.00 -0.30 0.00 0.00 42.92 42.14 3agn s ASP 34 CO 0.12 -0.18 0.87 -0.13 -0.17 0.00 0.00 175.17 175.68 3agn s ARG 35 N 0.10 3.47 0.03 4.34 0.52 -1.26 -4.63 118.95 121.52 3agn s ARG 35 Ca 0.32 0.04 -0.30 0.00 -0.52 0.00 0.00 55.73 55.26 3agn s ARG 35 Cb 0.02 -3.93 -0.07 0.00 0.52 0.00 0.00 34.95 31.49 3agn s ARG 35 CO -0.18 -1.18 1.53 -1.25 0.02 0.00 0.00 175.30 174.23 3agn s PRO 36 N 3.56 4.24 -1.13 3.54 0.04 -1.19 -1.17 135.00 142.89 3agn s PRO 36 Ca 0.34 2.14 -0.09 0.00 0.04 0.00 0.00 61.00 63.42 3agn s PRO 36 Cb -0.11 -3.61 0.08 0.00 0.04 0.00 0.00 34.50 30.91 3agn s PRO 36 CO 0.25 -0.66 0.38 -3.47 0.04 0.00 0.00 177.00 173.54 3agn n ASP 37 N 5.58 -2.90 -1.80 6.66 2.03 -1.26 -1.23 116.55 123.63 3agn n ASP 37 Ca 0.15 -0.33 -0.19 0.00 0.52 0.00 0.00 54.79 54.94 3agn n ASP 37 Cb 0.42 -2.45 -0.04 0.00 -0.72 0.00 0.00 41.12 38.33 3agn n ASP 37 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 3agn n ASN 38 N -2.14 -5.31 -4.87 1.67 3.02 -0.32 -5.03 115.26 102.28 3agn n ASN 38 Ca 0.00 0.20 -0.33 0.00 -0.03 0.00 0.00 54.58 54.42 3agn n ASN 38 Cb 0.52 -4.41 -0.05 0.00 -0.61 0.00 0.00 39.78 35.23 3agn n ASN 38 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3agn s TYR 39 N -2.82 3.53 0.74 3.10 2.02 -0.36 -4.43 117.35 119.13 3agn s TYR 39 Ca 0.00 0.78 -0.11 0.00 -0.37 0.00 0.00 57.07 57.37 3agn s TYR 39 Cb 0.00 -2.16 0.03 0.00 -0.40 0.00 0.00 41.96 39.43 3agn s TYR 39 CO 0.00 0.44 1.07 -1.25 -1.57 0.00 0.00 175.55 174.25 3agn s PRO 40 N -2.27 2.57 0.33 -1.71 0.04 -1.26 -3.13 135.00 129.56 3agn s PRO 40 Ca 0.38 0.94 0.08 0.00 0.04 0.00 0.00 61.00 62.44 3agn s PRO 40 Cb -0.13 -1.95 -0.03 0.00 0.04 0.00 0.00 34.50 32.43 3agn s PRO 40 CO 0.20 -1.36 0.21 -1.01 0.04 0.00 0.00 177.00 175.08 3agn s HIS 41 N -3.03 2.83 0.31 0.56 3.76 -0.41 -4.94 115.29 114.37 3agn s HIS 41 Ca 0.59 -0.32 -0.28 0.00 -0.15 0.00 0.00 55.06 54.90 3agn s HIS 41 Cb -0.15 -1.68 -0.10 0.00 1.11 0.00 0.00 32.58 31.77 3agn s HIS 41 CO 0.55 0.29 1.13 -0.65 -0.85 0.00 0.00 174.74 175.22 3agn s GLN 42 N -3.91 4.50 -0.15 1.40 1.11 -1.26 -0.47 119.66 120.88 3agn s GLN 42 Ca 0.39 1.85 -0.04 0.00 0.01 0.00 0.00 55.36 57.57 3agn s GLN 42 Cb -0.05 -3.07 -0.03 0.00 -1.01 0.00 0.00 33.01 28.86 3agn s GLN 42 CO 0.24 0.07 -0.03 -0.47 0.01 0.00 0.00 175.29 175.11 3agn s TYR 43 N -1.22 3.03 0.01 0.91 5.04 -0.35 -4.72 117.35 120.05 3agn s TYR 43 Ca 0.47 -0.25 0.06 0.00 -2.44 0.00 0.00 57.07 54.91 3agn s TYR 43 Cb -0.32 -1.94 -0.03 0.00 0.35 0.00 0.00 41.96 40.01 3agn s TYR 43 CO 0.42 0.01 -0.15 0.71 -1.34 0.00 0.00 175.55 175.19 3agn s TYR 44 N 0.26 2.65 0.16 4.97 2.02 -1.26 -4.24 117.35 121.91 3agn s TYR 44 Ca -0.03 -0.20 -0.31 0.00 -0.37 0.00 0.00 57.07 56.16 3agn s TYR 44 Cb -0.14 -1.53 -0.10 0.00 -0.40 0.00 0.00 41.96 39.79 3agn s TYR 44 CO 0.03 0.26 1.54 0.34 -1.57 0.00 0.00 175.55 176.15 3agn s ASP 45 N -1.27 6.61 -0.34 2.29 2.15 -1.26 -4.97 116.67 119.89 3agn s ASP 45 Ca 0.14 2.59 -0.01 0.00 0.43 0.00 0.00 52.55 55.70 3agn s ASP 45 Cb -0.11 -2.59 0.13 0.00 -0.30 0.00 0.00 42.92 40.05 3agn s ASP 45 CO 0.05 -0.80 0.18 -1.61 -0.17 0.00 0.00 175.17 172.82 3agn s GLU 46 N 1.08 0.53 0.61 4.34 2.02 -1.26 -5.04 118.70 120.99 3agn s GLU 46 Ca 0.69 -1.17 0.36 0.00 0.02 0.00 0.00 54.97 54.87 3agn s GLU 46 Cb -0.43 -1.40 1.96 0.00 0.10 0.00 0.00 34.13 34.36 3agn s GLU 46 CO 0.31 -1.14 2.24 0.00 0.02 0.00 0.00 175.26 176.70 3agn h ALA 47 N 7.42 1.21 -0.07 5.21 0.00 -1.95 0.54 119.26 131.61 3agn h ALA 47 Ca -0.03 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.88 3agn h ALA 47 Cb 0.98 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 3agn h ALA 47 CO 0.34 0.03 0.15 0.66 0.00 0.00 0.00 179.25 180.44 3agn h SER 48 N 0.00 0.00 1.22 0.00 4.64 -2.00 -1.64 113.55 115.77 3agn h SER 48 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3agn h SER 48 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 3agn h SER 48 CO 0.00 0.00 -0.04 -0.62 -0.87 0.00 0.00 176.83 175.30 3agn n GLU 49 N -3.39 0.15 -3.57 4.77 1.02 0.18 -4.96 120.64 114.85 3agn n GLU 49 Ca -0.01 0.11 -0.23 0.00 -0.02 0.00 0.00 57.16 57.02 3agn n GLU 49 Cb 0.24 -1.66 0.08 0.00 -0.02 0.00 0.00 31.44 30.08 3agn n GLU 49 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3agn n ASP 50 N -1.91 -5.59 -4.40 1.62 8.00 -0.62 -4.47 116.55 109.17 3agn n ASP 50 Ca 0.06 -0.55 -0.38 0.00 0.71 0.00 0.00 54.79 54.62 3agn n ASP 50 Cb 0.39 -5.05 -0.12 0.00 -0.02 0.00 0.00 41.12 36.32 3agn n ASP 50 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3agn s ILE 51 N -3.33 4.39 0.06 0.53 1.01 -1.26 -4.69 121.20 117.92 3agn s ILE 51 Ca 0.48 -0.53 -0.18 0.00 0.00 0.00 0.00 60.65 60.41 3agn s ILE 51 Cb -0.21 -3.26 -0.07 0.00 0.01 0.00 0.00 42.46 38.94 3agn s ILE 51 CO 0.73 0.05 0.54 0.42 0.00 0.00 0.00 174.94 176.68 3agn s THR 52 N 1.57 4.80 0.03 2.92 -4.23 -1.26 -4.99 115.64 114.49 3agn s THR 52 Ca 0.04 1.12 0.03 0.00 -1.18 0.00 0.00 61.69 61.70 3agn s THR 52 Cb -0.17 -3.85 -0.04 0.00 1.34 0.00 0.00 72.50 69.78 3agn s THR 52 CO 0.05 0.54 -0.00 -0.76 -0.54 0.00 0.00 174.62 173.91 3agn s LEU 53 N -1.16 3.47 0.00 4.79 1.43 -1.26 -4.77 118.68 121.18 3agn s LEU 53 Ca 0.29 -0.08 0.04 0.00 -1.03 0.00 0.00 54.13 53.35 3agn s LEU 53 Cb -0.19 -2.07 0.10 0.00 0.03 0.00 0.00 46.19 44.07 3agn s LEU 53 CO 0.18 0.24 1.07 0.00 0.23 0.00 0.00 176.35 178.07 3agn n GLY 56 N -2.90 1.03 3.66 0.00 0.00 -1.26 -5.00 105.19 100.72 3agn n GLY 56 Ca 0.16 -1.47 -0.37 0.00 0.00 0.00 0.00 46.02 44.34 3agn n GLY 56 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3agn n SER 57 N 0.00 1.24 -3.54 1.61 7.64 -1.26 -5.03 113.62 114.28 3agn n SER 57 Ca 0.00 0.82 -0.31 0.00 1.01 0.00 0.00 58.87 60.39 3agn n SER 57 Cb 0.00 -1.45 0.26 0.00 -1.01 0.00 0.00 64.21 62.01 3agn n SER 57 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3agn s GLY 58 N -1.28 1.56 0.61 0.23 0.00 -1.26 -4.82 107.32 102.35 3agn s GLY 58 Ca 0.78 -1.06 -0.17 0.00 0.00 0.00 0.00 44.72 44.27 3agn s GLY 58 CO 0.45 -0.09 1.14 -4.14 0.00 0.00 0.00 173.10 170.46 3agn s PRO 59 N -5.46 3.01 0.11 2.90 0.02 -1.26 -5.00 135.00 129.32 3agn s PRO 59 Ca 0.72 1.57 0.10 0.00 0.02 0.00 0.00 61.00 63.41 3agn s PRO 59 Cb -0.08 -1.96 -0.04 0.00 0.02 0.00 0.00 34.50 32.44 3agn s PRO 59 CO 0.56 -1.11 -0.24 -1.58 -0.33 0.00 0.00 177.00 174.29 3agn s TRP 60 N -1.97 2.38 0.28 6.54 0.51 -1.26 -0.95 118.94 124.47 3agn s TRP 60 Ca 0.71 -0.35 0.09 0.00 -2.12 0.00 0.00 56.10 54.43 3agn s TRP 60 Cb -0.24 -1.31 -0.06 0.00 -0.81 0.00 0.00 33.47 31.06 3agn s TRP 60 CO 0.34 0.31 -0.11 -1.12 -0.51 0.00 0.00 176.95 175.86 3agn s SER 61 N -1.91 3.11 -0.01 2.95 0.01 0.14 -1.21 113.70 116.77 3agn s SER 61 Ca 0.15 -1.12 0.02 0.00 1.31 0.00 0.00 55.95 56.30 3agn s SER 61 Cb -0.10 -0.23 -0.00 0.00 0.21 0.00 0.00 66.02 65.90 3agn s SER 61 CO 0.06 -0.20 -0.06 -1.83 0.41 0.00 0.00 173.24 171.62 3agn s GLU 62 N -3.64 0.56 0.00 12.44 -1.05 0.38 -1.28 118.70 126.11 3agn s GLU 62 Ca 0.29 -0.22 -0.04 0.00 -0.15 0.00 0.00 54.97 54.84 3agn s GLU 62 Cb 0.01 -0.54 -0.00 0.00 -0.44 0.00 0.00 34.13 33.15 3agn s GLU 62 CO 0.12 0.12 0.08 0.12 0.95 0.00 0.00 175.26 176.65 3agn s PHE 63 N -0.07 0.10 0.34 4.83 5.36 -0.61 -1.29 117.98 126.63 3agn s PHE 63 Ca 0.01 -0.22 -0.29 0.00 -0.96 0.00 0.00 56.93 55.48 3agn s PHE 63 Cb -0.04 -0.08 -0.11 0.00 -0.34 0.00 0.00 43.02 42.45 3agn s PHE 63 CO -0.00 -0.22 1.50 -2.14 -1.46 0.00 0.00 175.22 172.89 3agn s PRO 64 N -1.23 4.15 -0.27 10.12 0.02 -1.26 -1.07 135.00 145.47 3agn s PRO 64 Ca -0.13 2.51 -0.07 0.00 0.02 0.00 0.00 61.00 63.33 3agn s PRO 64 Cb -0.08 -3.01 -0.01 0.00 0.02 0.00 0.00 34.50 31.42 3agn s PRO 64 CO 0.01 -0.52 0.08 -1.17 -0.33 0.00 0.00 177.00 175.07 3agn s LEU 65 N -1.45 3.65 0.05 -5.54 2.96 -0.40 -4.59 118.68 113.36 3agn s LEU 65 Ca 0.56 -0.40 -0.02 0.00 -0.22 0.00 0.00 54.13 54.05 3agn s LEU 65 Cb -0.46 -1.92 -0.03 0.00 0.50 0.00 0.00 46.19 44.28 3agn s LEU 65 CO 0.56 -0.10 -0.01 0.68 -1.32 0.00 0.00 176.35 176.16 3agn s VAL 66 N 1.58 0.20 0.58 1.68 -7.23 -1.26 -4.47 120.40 111.48 3agn s VAL 66 Ca 0.05 -1.66 -0.17 0.00 -1.81 0.00 0.00 61.98 58.39 3agn s VAL 66 Cb -0.16 -1.38 -0.04 0.00 0.56 0.00 0.00 36.38 35.36 3agn s VAL 66 CO 0.04 -0.92 1.06 -0.31 -0.31 0.00 0.00 175.10 174.66 3agn s TYR 67 N -3.67 2.95 -1.42 2.82 2.02 -1.26 -4.00 117.35 114.79 3agn s TYR 67 Ca 0.05 1.53 -0.08 0.00 -0.37 0.00 0.00 57.07 58.20 3agn s TYR 67 Cb 0.06 -3.04 0.04 0.00 -0.40 0.00 0.00 41.96 38.62 3agn s TYR 67 CO -0.09 -1.12 0.87 0.09 -1.57 0.00 0.00 175.55 173.73 3agn n ASN 68 N -1.85 -3.31 -2.12 2.29 3.02 -1.26 -4.94 115.26 107.09 3agn n ASN 68 Ca 0.09 -0.78 -0.01 0.00 -0.03 0.00 0.00 54.58 53.84 3agn n ASN 68 Cb 0.53 -4.03 0.01 0.00 -0.61 0.00 0.00 39.78 35.67 3agn n ASN 68 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3agn n GLY 69 N -1.66 -0.39 3.85 7.41 0.00 -1.26 -4.89 105.19 108.26 3agn n GLY 69 Ca -0.11 -1.79 -0.32 0.00 0.00 0.00 0.00 46.02 43.81 3agn n GLY 69 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3agn s PRO 70 N -2.90 3.65 0.17 1.61 0.04 -1.26 -5.05 135.00 131.26 3agn s PRO 70 Ca 0.04 0.88 -0.33 0.00 0.04 0.00 0.00 61.00 61.62 3agn s PRO 70 Cb -0.00 -2.09 -0.15 0.00 0.04 0.00 0.00 34.50 32.30 3agn s PRO 70 CO 0.03 -0.52 1.32 0.98 0.04 0.00 0.00 177.00 178.84 3agn n TYR 71 N -2.29 1.69 -3.80 0.56 9.36 -1.26 -5.00 117.16 116.42 3agn n TYR 71 Ca 0.07 0.55 -0.13 0.00 3.32 0.00 0.00 57.90 61.71 3agn n TYR 71 Cb 0.54 -2.37 -0.10 0.00 -0.63 0.00 0.00 39.34 36.78 3agn n TYR 71 CO 0.00 0.00 0.00 -0.47 0.22 0.00 0.00 176.86 176.61 3agn s TYR 72 N 0.14 -0.18 0.04 2.98 5.04 -1.26 -4.93 117.35 119.18 3agn s TYR 72 Ca 0.75 0.37 -0.15 0.00 -2.44 0.00 0.00 57.07 55.60 3agn s TYR 72 Cb -0.80 0.06 0.03 0.00 0.35 0.00 0.00 41.96 41.60 3agn s TYR 72 CO 0.48 -0.25 0.34 0.45 -1.34 0.00 0.00 175.55 175.23 3agn s SER 73 N -0.69 -0.19 0.21 4.32 0.15 -1.26 -4.55 113.70 111.69 3agn s SER 73 Ca -0.08 -0.09 -0.09 0.00 0.70 0.00 0.00 55.95 56.40 3agn s SER 73 Cb -0.04 0.37 -0.01 0.00 -1.71 0.00 0.00 66.02 64.63 3agn s SER 73 CO 0.02 -0.61 0.34 -0.94 1.20 0.00 0.00 173.24 173.25 3agn s SER 74 N -1.94 0.00 0.28 5.45 1.04 -0.56 -4.06 113.70 113.91 3agn s SER 74 Ca -0.06 -1.02 0.01 0.00 0.48 0.00 0.00 55.95 55.36 3agn s SER 74 Cb -0.01 0.49 0.57 0.00 0.10 0.00 0.00 66.02 67.17 3agn s SER 74 CO -0.02 -1.00 1.81 -0.09 0.98 0.00 0.00 173.24 174.92 3agn h ARG 75 N 2.42 0.84 -0.00 4.02 2.43 -2.01 -1.65 114.38 120.43 3agn h ARG 75 Ca -0.30 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.82 3agn h ARG 75 Cb 1.24 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.60 3agn h ARG 75 CO 0.43 0.56 -0.16 -0.25 -1.51 0.00 0.00 179.97 179.04 3agn n ASP 76 N -4.70 0.24 -3.13 -3.80 8.00 -1.26 -4.57 116.55 107.33 3agn n ASP 76 Ca 0.19 0.02 -0.06 0.00 0.71 0.00 0.00 54.79 55.65 3agn n ASP 76 Cb 0.41 -0.19 -0.03 0.00 -0.02 0.00 0.00 41.12 41.29 3agn n ASP 76 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3agn s ASN 77 N -2.86 -0.70 0.17 -2.24 2.47 -0.64 -5.14 114.94 106.00 3agn s ASN 77 Ca 0.17 -1.41 -0.30 0.00 0.42 0.00 0.00 52.86 51.74 3agn s ASN 77 Cb 0.19 1.46 -0.07 0.00 -1.45 0.00 0.00 41.25 41.37 3agn s ASN 77 CO 0.56 -0.15 1.12 -0.47 -3.72 0.00 0.00 177.10 174.44 3agn s TYR 78 N 1.33 3.56 -0.05 0.43 5.04 -1.11 -1.50 117.35 125.05 3agn s TYR 78 Ca 0.22 1.56 0.03 0.00 -2.44 0.00 0.00 57.07 56.43 3agn s TYR 78 Cb -0.05 -3.31 0.01 0.00 0.35 0.00 0.00 41.96 38.97 3agn s TYR 78 CO -0.06 -0.73 -0.12 0.08 -1.34 0.00 0.00 175.55 173.37 3agn s VAL 79 N -0.12 1.11 0.35 3.14 1.01 -1.26 -4.95 120.40 119.69 3agn s VAL 79 Ca 0.50 -0.49 -0.28 0.00 0.00 0.00 0.00 61.98 61.71 3agn s VAL 79 Cb -0.30 -1.00 -0.10 0.00 0.00 0.00 0.00 36.38 34.98 3agn s VAL 79 CO 0.35 0.34 1.30 -0.55 0.00 0.00 0.00 175.10 176.54 3agn s SER 80 N 0.47 6.68 0.13 3.32 0.15 -1.26 -4.79 113.70 118.40 3agn s SER 80 Ca -0.11 2.66 0.19 0.00 0.70 0.00 0.00 55.95 59.40 3agn s SER 80 Cb -0.14 -2.65 0.80 0.00 -1.71 0.00 0.00 66.02 62.33 3agn s SER 80 CO 0.03 -0.59 1.59 -0.81 1.20 0.00 0.00 173.24 174.65 3agn n PRO 81 N 0.64 0.10 0.00 5.44 -0.04 -1.26 -5.01 135.00 134.87 3agn n PRO 81 Ca 0.01 0.34 0.00 0.00 -0.04 0.00 0.00 63.50 63.81 3agn n PRO 81 Cb 0.42 -1.69 0.00 0.00 -0.04 0.00 0.00 33.50 32.20 3agn n PRO 81 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3agn n GLY 82 N -0.01 -1.34 0.04 0.55 0.00 -1.26 -4.38 105.19 98.79 3agn n GLY 82 Ca 0.03 -1.16 0.12 0.00 0.00 0.00 0.00 46.02 45.01 3agn n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3agn n PRO 83 N -1.17 0.19 -4.08 1.61 -0.04 -1.26 -4.97 135.00 125.28 3agn n PRO 83 Ca 0.00 0.05 -0.30 0.00 -0.04 0.00 0.00 63.50 63.21 3agn n PRO 83 Cb 0.00 -1.62 -0.07 0.00 -0.04 0.00 0.00 33.50 31.77 3agn n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3agn s ASP 84 N -3.78 5.34 0.01 3.54 1.01 -1.26 -0.66 116.67 120.86 3agn s ASP 84 Ca 0.08 -0.08 -0.05 0.00 0.71 0.00 0.00 52.55 53.20 3agn s ASP 84 Cb 0.15 -1.37 -0.00 0.00 1.01 0.00 0.00 42.92 42.70 3agn s ASP 84 CO 0.71 0.17 0.09 -0.13 0.21 0.00 0.00 175.17 176.22 3agn s ARG 85 N -2.41 0.44 -0.03 8.23 1.81 0.25 -1.27 118.95 125.97 3agn s ARG 85 Ca 0.28 -0.46 -0.06 0.00 -1.72 0.00 0.00 55.73 53.77 3agn s ARG 85 Cb -0.12 0.18 -0.04 0.00 -0.45 0.00 0.00 34.95 34.52 3agn s ARG 85 CO 0.21 -0.10 0.21 0.14 -0.68 0.00 0.00 175.30 175.08 3agn s VAL 86 N -1.43 5.39 -0.13 3.52 -7.23 -0.23 -1.39 120.40 118.90 3agn s VAL 86 Ca -0.15 0.09 -0.02 0.00 -1.81 0.00 0.00 61.98 60.09 3agn s VAL 86 Cb -0.08 -3.52 -0.03 0.00 0.56 0.00 0.00 36.38 33.31 3agn s VAL 86 CO 0.01 0.43 -0.06 -0.63 -0.31 0.00 0.00 175.10 174.53 3agn s ILE 87 N -1.23 3.69 0.10 -0.62 -1.09 0.19 -1.57 121.20 120.66 3agn s ILE 87 Ca 0.24 -0.44 -0.01 0.00 -2.23 0.00 0.00 60.65 58.21 3agn s ILE 87 Cb -0.13 -2.58 -0.04 0.00 -1.58 0.00 0.00 42.46 38.13 3agn s ILE 87 CO 0.14 0.52 0.03 -0.72 -1.23 0.00 0.00 174.94 173.67 3agn s TYR 88 N 0.15 0.71 -0.27 3.97 1.13 -0.41 -0.76 117.35 121.86 3agn s TYR 88 Ca -0.03 -1.15 -0.29 0.00 -1.41 0.00 0.00 57.07 54.19 3agn s TYR 88 Cb -0.14 -0.43 0.01 0.00 -1.10 0.00 0.00 41.96 40.30 3agn s TYR 88 CO 0.03 -0.47 1.11 -0.65 -2.51 0.00 0.00 175.55 173.07 3agn s GLN 89 N -3.99 4.12 0.26 -3.49 -0.21 0.04 -0.68 119.66 115.71 3agn s GLN 89 Ca 0.17 1.24 -0.02 0.00 0.02 0.00 0.00 55.36 56.77 3agn s GLN 89 Cb 0.08 -3.73 0.46 0.00 1.00 0.00 0.00 33.01 30.82 3agn s GLN 89 CO -0.03 -0.83 1.81 1.15 -2.12 0.00 0.00 175.29 175.27 3agn h THR 90 N 5.65 0.88 0.00 -0.19 2.02 -1.35 0.91 112.91 120.84 3agn h THR 90 Ca -0.21 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.68 3agn h THR 90 Cb 1.07 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.47 3agn h THR 90 CO 1.01 0.15 0.00 0.78 0.37 0.00 0.00 175.52 177.83 3agn h ASN 91 N 0.82 0.00 0.00 4.18 2.35 -1.92 -3.37 115.58 117.64 3agn h ASN 91 Ca 0.44 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.19 3agn h ASN 91 Cb 0.44 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.81 3agn h ASN 91 CO -0.27 0.00 -0.77 0.35 -1.65 0.00 0.00 177.43 175.09 3agn n THR 92 N -3.05 0.00 -0.08 2.81 -2.24 -0.90 -5.03 114.28 105.79 3agn n THR 92 Ca 0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 3agn n THR 92 Cb 0.42 -0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.29 3agn n THR 92 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3agn n GLY 93 N 2.25 1.40 3.77 3.38 0.00 0.27 -5.02 105.19 111.24 3agn n GLY 93 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 3agn n GLY 93 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3agn s GLU 94 N -0.49 4.32 0.30 1.61 0.41 -1.25 -4.53 118.70 119.06 3agn s GLU 94 Ca 0.00 2.15 -0.29 0.00 -0.41 0.00 0.00 54.97 56.41 3agn s GLU 94 Cb 0.00 -3.02 -0.10 0.00 -1.78 0.00 0.00 34.13 29.22 3agn s GLU 94 CO 0.00 -0.19 1.41 0.12 -0.49 0.00 0.00 175.26 176.11 3agn s PHE 95 N -1.17 2.95 -0.06 1.61 5.36 -1.26 -0.78 117.98 124.62 3agn s PHE 95 Ca 0.50 1.17 -0.02 0.00 -0.96 0.00 0.00 56.93 57.62 3agn s PHE 95 Cb -0.38 -3.82 -0.03 0.00 -0.34 0.00 0.00 43.02 38.45 3agn s PHE 95 CO 0.50 -2.49 -0.07 0.00 -1.46 0.00 0.00 175.22 171.70 3agn s ALA 97 N -2.12 -2.13 -0.02 0.00 0.00 -1.09 -1.30 121.76 115.09 3agn s ALA 97 Ca -0.09 0.73 0.07 0.00 0.00 0.00 0.00 51.96 52.67 3agn s ALA 97 Cb 0.03 0.34 -0.02 0.00 0.00 0.00 0.00 23.12 23.48 3agn s ALA 97 CO 0.13 -0.99 -0.23 0.95 0.00 0.00 0.00 175.76 175.62 3agn s THR 98 N -2.56 1.83 0.21 0.00 -4.23 -1.26 -0.64 115.64 109.00 3agn s THR 98 Ca 0.13 -0.98 -0.00 0.00 -1.18 0.00 0.00 61.69 59.66 3agn s THR 98 Cb 0.03 -1.52 -0.04 0.00 1.34 0.00 0.00 72.50 72.30 3agn s THR 98 CO -0.03 0.52 0.10 0.68 -0.54 0.00 0.00 174.62 175.35 3agn s VAL 99 N -0.46 0.25 -0.02 2.29 -7.23 -0.49 -1.33 120.40 113.40 3agn s VAL 99 Ca 0.07 -1.99 -0.17 0.00 -1.81 0.00 0.00 61.98 58.07 3agn s VAL 99 Cb -0.10 -2.49 0.03 0.00 0.56 0.00 0.00 36.38 34.38 3agn s VAL 99 CO -0.00 -0.07 0.36 0.28 -0.31 0.00 0.00 175.10 175.37 3agn s THR 100 N -3.98 0.05 -0.07 5.32 -1.32 -0.14 -0.58 115.64 114.91 3agn s THR 100 Ca 0.37 -0.40 0.26 0.00 -1.21 0.00 0.00 61.69 60.71 3agn s THR 100 Cb 0.07 -0.67 0.31 0.00 -1.51 0.00 0.00 72.50 70.70 3agn s THR 100 CO 0.11 -0.22 1.79 0.45 -2.21 0.00 0.00 174.62 174.54 3agn h HIS 101 N 3.76 0.00 -2.72 9.09 3.86 -1.07 0.09 115.15 128.17 3agn h HIS 101 Ca -0.29 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.39 3agn h HIS 101 Cb 1.17 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.67 3agn h HIS 101 CO 0.50 0.10 0.97 0.99 0.86 0.00 0.00 177.93 181.36 3agn s THR 102 N -3.46 3.00 -0.25 2.45 2.01 -1.26 -2.36 115.64 115.77 3agn s THR 102 Ca 0.03 0.50 0.00 0.00 0.31 0.00 0.00 61.69 62.53 3agn s THR 102 Cb 0.08 -3.32 0.00 0.00 0.01 0.00 0.00 72.50 69.27 3agn s THR 102 CO 0.62 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 175.17 3agn n GLY 103 N 3.94 0.52 3.79 4.40 0.00 -1.26 -4.77 105.19 111.80 3agn n GLY 103 Ca 0.15 -0.22 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 3agn n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3agn s ALA 104 N -1.84 2.45 0.15 4.61 0.00 -0.99 -4.93 121.76 121.21 3agn s ALA 104 Ca 0.00 0.28 0.17 0.00 0.00 0.00 0.00 51.96 52.41 3agn s ALA 104 Cb 0.00 -3.25 0.57 0.00 0.00 0.00 0.00 23.12 20.44 3agn s ALA 104 CO 0.00 -1.45 1.68 0.00 0.00 0.00 0.00 175.76 176.00 3agn h ALA 105 N -0.67 0.95 -2.31 0.00 0.00 -1.89 -3.46 119.26 111.88 3agn h ALA 105 Ca -0.44 -0.39 -0.15 0.00 0.00 0.00 0.00 54.91 53.93 3agn h ALA 105 Cb 1.23 -0.07 -0.16 0.00 0.00 0.00 0.00 17.79 18.79 3agn h ALA 105 CO 0.54 0.54 -0.69 -1.54 0.00 0.00 0.00 179.25 178.10 3agn s SER 106 N -6.49 0.60 0.21 0.00 1.04 -1.26 -5.07 113.70 102.73 3agn s SER 106 Ca 0.00 -0.95 -0.32 0.00 0.48 0.00 0.00 55.95 55.16 3agn s SER 106 Cb 0.11 0.17 -0.13 0.00 0.10 0.00 0.00 66.02 66.27 3agn s SER 106 CO 0.70 -0.54 1.60 0.00 0.98 0.00 0.00 173.24 175.98 3agn n TYR 107 N 0.22 2.52 -0.93 5.02 9.36 -1.26 -0.98 117.16 131.11 3agn n TYR 107 Ca -0.15 0.22 0.00 0.00 3.32 0.00 0.00 57.90 61.29 3agn n TYR 107 Cb 0.60 -2.58 0.00 0.00 -0.63 0.00 0.00 39.34 36.73 3agn n TYR 107 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 3agn n ASP 108 N 3.17 -4.23 -4.83 2.98 8.00 -1.26 -5.00 116.55 115.38 3agn n ASP 108 Ca 0.14 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.34 3agn n ASP 108 Cb 0.33 -2.57 0.05 0.00 -0.02 0.00 0.00 41.12 38.91 3agn n ASP 108 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3agn s GLY 109 N -2.00 1.65 0.16 0.44 0.00 -0.15 -5.03 107.32 102.38 3agn s GLY 109 Ca 0.00 -0.06 0.07 0.00 0.00 0.00 0.00 44.72 44.73 3agn s GLY 109 CO 0.00 0.28 0.01 -1.36 0.00 0.00 0.00 173.10 172.03 3agn s PHE 110 N -3.12 2.90 0.11 1.90 0.08 -1.26 -4.26 117.98 114.32 3agn s PHE 110 Ca 0.58 -0.11 0.04 0.00 0.12 0.00 0.00 56.93 57.56 3agn s PHE 110 Cb -0.13 -1.42 -0.04 0.00 -0.57 0.00 0.00 43.02 40.86 3agn s PHE 110 CO 0.54 0.51 -0.10 -0.08 -0.10 0.00 0.00 175.22 176.00 3agn s THR 111 N -1.65 0.95 0.24 0.64 -1.32 0.02 -4.74 115.64 109.77 3agn s THR 111 Ca 0.27 -1.77 -0.30 0.00 -1.21 0.00 0.00 61.69 58.69 3agn s THR 111 Cb -0.10 -1.50 -0.09 0.00 -1.51 0.00 0.00 72.50 69.30 3agn s THR 111 CO 0.19 -0.64 1.17 -1.58 -2.21 0.00 0.00 174.62 171.54 3agn s GLN 112 N -3.13 4.54 0.54 7.08 0.74 -1.26 -0.97 119.66 127.19 3agn s GLN 112 Ca 0.09 1.87 -0.19 0.00 0.05 0.00 0.00 55.36 57.18 3agn s GLN 112 Cb -0.01 -3.21 -0.06 0.00 1.10 0.00 0.00 33.01 30.84 3agn s GLN 112 CO -0.01 0.03 1.09 0.00 -0.55 0.00 0.00 175.29 175.85