#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p71 h GLN 2 N 0.00 0.96 -0.78 -1.46 4.20 -1.84 -0.20 115.11 115.99 2p71 h GLN 2 Ca 0.00 -0.45 -0.03 0.00 0.06 0.00 0.00 58.65 58.24 2p71 h GLN 2 Cb 0.00 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.73 2p71 h GLN 2 CO 0.00 1.11 0.38 1.49 -0.67 0.00 0.00 178.83 181.14 2p71 h GLU 3 N 0.81 1.12 -0.23 1.46 4.81 -1.98 0.06 114.58 120.63 2p71 h GLU 3 Ca 0.09 -0.16 -0.15 0.00 -0.13 0.00 0.00 59.36 59.00 2p71 h GLU 3 Cb 0.87 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.05 2p71 h GLU 3 CO 0.08 0.87 -0.45 0.28 -0.73 0.00 0.00 179.01 179.05 2p71 h VAL 4 N 1.10 1.31 -0.54 0.32 2.07 -1.91 -2.44 116.25 116.15 2p71 h VAL 4 Ca 0.27 -1.66 0.03 0.00 0.82 0.00 0.00 66.70 66.15 2p71 h VAL 4 Cb 0.11 1.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.64 2p71 h VAL 4 CO -0.03 0.53 0.36 0.24 0.02 0.00 0.00 177.57 178.68 2p71 h MET 5 N 0.43 0.62 -0.06 1.57 2.86 -0.68 -1.41 114.93 118.26 2p71 h MET 5 Ca 0.01 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2p71 h MET 5 Cb 1.06 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 32.57 2p71 h MET 5 CO 0.10 0.41 0.03 -0.22 1.06 0.00 0.00 176.91 178.28 2p71 h LYS 6 N 0.64 0.08 -0.54 1.72 3.64 -0.77 -0.66 116.57 120.68 2p71 h LYS 6 Ca 0.21 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.54 2p71 h LYS 6 Cb 0.07 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.85 2p71 h LYS 6 CO -0.06 0.20 0.16 -0.97 -2.27 0.00 0.00 179.45 176.52 2p71 h ASN 7 N -0.05 0.74 -0.45 4.20 -0.00 -0.96 0.15 115.58 119.21 2p71 h ASN 7 Ca 0.02 -0.12 -0.05 0.00 -0.00 0.00 0.00 56.30 56.16 2p71 h ASN 7 Cb 0.15 -0.19 -0.02 0.00 -0.00 0.00 0.00 38.32 38.25 2p71 h ASN 7 CO -0.00 0.71 0.10 -0.07 -0.00 0.00 0.00 177.43 178.16 2p71 h LEU 8 N 0.78 0.70 -0.26 0.34 4.07 -1.13 -0.71 115.31 119.11 2p71 h LEU 8 Ca 0.18 -0.24 -0.02 0.00 0.08 0.00 0.00 57.88 57.88 2p71 h LEU 8 Cb 0.24 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 41.78 2p71 h LEU 8 CO -0.01 0.76 0.09 0.28 -1.08 0.00 0.00 178.44 178.49 2p71 h SER 9 N 0.61 0.37 -0.22 -0.43 0.02 -0.95 0.30 113.55 113.24 2p71 h SER 9 Ca 0.14 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 2p71 h SER 9 Cb 0.35 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 2p71 h SER 9 CO 0.00 0.45 0.15 -0.07 -1.14 0.00 0.00 176.83 176.22 2p71 h LEU 10 N 0.26 0.26 -0.81 5.07 3.38 -0.94 -0.84 115.31 121.69 2p71 h LEU 10 Ca 0.09 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.93 2p71 h LEU 10 Cb 0.21 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 2p71 h LEU 10 CO -0.01 0.19 -0.54 0.78 0.09 0.00 0.00 178.44 178.95 2p71 h ASN 11 N 0.30 0.00 -0.48 -0.43 2.35 -0.90 -2.83 115.58 113.59 2p71 h ASN 11 Ca 0.08 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.79 2p71 h ASN 11 Cb -0.03 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 2p71 h ASN 11 CO -0.02 0.54 0.13 0.15 -1.65 0.00 0.00 177.43 176.59 2p71 h PHE 12 N 0.00 0.79 0.00 1.19 3.57 -0.12 -3.00 116.94 119.37 2p71 h PHE 12 Ca -0.01 -0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.41 2p71 h PHE 12 Cb 1.04 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.55 2p71 h PHE 12 CO 0.00 0.70 0.00 0.41 -2.23 0.00 0.00 178.31 177.19 2p71 n GLY 13 N -0.64 -1.07 0.27 2.40 0.00 -0.35 -3.45 105.19 102.35 2p71 n GLY 13 Ca 0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 2p71 n GLY 13 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2p71 h LYS 14 N 0.00 0.55 0.00 1.61 3.64 -1.35 -2.56 116.57 118.46 2p71 h LYS 14 Ca 0.00 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 2p71 h LYS 14 Cb 0.28 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 2p71 h LYS 14 CO 0.00 0.58 0.00 0.00 -2.27 0.00 0.00 179.45 177.76 2p71 n ALA 15 N -2.48 1.96 -0.04 5.00 0.00 -1.22 -4.58 120.51 119.14 2p71 n ALA 15 Ca 0.02 -0.03 -0.02 0.00 0.00 0.00 0.00 53.44 53.40 2p71 n ALA 15 Cb 0.26 -1.09 -0.01 0.00 0.00 0.00 0.00 19.45 18.61 2p71 n ALA 15 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2p71 h LEU 16 N 0.00 0.00 0.00 0.00 5.85 -1.72 -2.49 115.31 116.95 2p71 h LEU 16 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2p71 h LEU 16 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 2p71 h LEU 16 CO 0.00 0.46 0.00 0.47 -0.34 0.00 0.00 178.44 179.03 2p71 n ASP 17 N -3.90 -0.10 0.00 1.25 8.00 -1.26 -2.27 116.55 118.26 2p71 n ASP 17 Ca -0.03 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.47 2p71 n ASP 17 Cb 0.12 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.19 2p71 n ASP 17 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 2p71 n GLU 18 N 0.16 0.00 -0.29 -1.24 2.13 -1.26 -3.10 120.64 117.04 2p71 n GLU 18 Ca 0.00 0.00 0.24 0.00 0.66 0.00 0.00 57.16 58.06 2p71 n GLU 18 Cb 0.00 0.00 0.37 0.00 0.27 0.00 0.00 31.44 32.08 2p71 n GLU 18 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2p71 h LYS 20 N 0.00 0.03 -1.93 0.00 3.64 -1.39 0.61 116.57 117.54 2p71 h LYS 20 Ca 0.42 -0.06 -0.57 0.00 -1.27 0.00 0.00 60.65 59.17 2p71 h LYS 20 Cb 1.90 0.02 -0.20 0.00 -0.41 0.00 0.00 32.23 33.54 2p71 h LYS 20 CO -0.00 0.73 0.60 1.63 -2.27 0.00 0.00 179.45 180.13 2p71 n LYS 21 N -3.19 2.47 0.00 1.90 4.76 0.15 -1.06 118.16 123.19 2p71 n LYS 21 Ca -0.12 -2.66 0.00 0.00 -2.87 0.00 0.00 58.31 52.66 2p71 n LYS 21 Cb 1.02 -2.15 0.00 0.00 -1.84 0.00 0.00 35.03 32.06 2p71 n LYS 21 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2p71 n GLU 22 N 0.37 0.00 0.00 1.97 1.02 -0.94 -4.96 120.64 118.11 2p71 n GLU 22 Ca 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.64 2p71 n GLU 22 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.89 2p71 n GLU 22 CO 0.00 0.00 0.00 -0.12 1.18 0.00 0.00 177.13 178.19 2p71 n MET 23 N -0.08 1.31 -1.83 3.49 1.56 0.21 -5.04 117.12 116.73 2p71 n MET 23 Ca 0.00 0.00 -0.01 0.00 -0.27 0.00 0.00 57.70 57.42 2p71 n MET 23 Cb 0.00 -0.73 -0.01 0.00 2.15 0.00 0.00 33.22 34.63 2p71 n MET 23 CO 0.00 0.00 0.00 2.41 -0.73 0.00 0.00 175.97 177.65 2p71 n THR 24 N -1.43 -8.32 -3.52 1.12 -1.04 -0.23 -5.03 114.28 95.83 2p71 n THR 24 Ca 0.00 1.68 0.00 0.00 -2.04 0.00 0.00 64.05 63.69 2p71 n THR 24 Cb 0.23 -4.83 0.00 0.00 -1.82 0.00 0.00 70.33 63.92 2p71 n THR 24 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2p71 n LEU 25 N 0.98 0.00 -4.51 -4.42 4.32 -1.26 -5.07 117.00 107.03 2p71 n LEU 25 Ca -0.06 0.00 -0.25 0.00 -0.02 0.00 0.00 56.01 55.68 2p71 n LEU 25 Cb 0.10 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 41.81 2p71 n LEU 25 CO 0.06 0.00 -0.23 0.42 -1.22 0.00 0.00 177.39 176.42 2p71 s THR 26 N -1.98 0.86 0.39 -5.08 -4.23 -1.26 -5.05 115.64 99.29 2p71 s THR 26 Ca 0.00 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 58.74 2p71 s THR 26 Cb 0.00 -2.49 0.25 0.00 1.34 0.00 0.00 72.50 71.60 2p71 s THR 26 CO 0.00 0.00 2.01 0.44 -0.54 0.00 0.00 174.62 176.53 2p71 h ASP 27 N 1.87 0.00 -1.03 3.99 3.32 -2.03 0.20 116.42 122.73 2p71 h ASP 27 Ca -0.38 0.00 0.26 0.00 0.02 0.00 0.00 57.03 56.93 2p71 h ASP 27 Cb 1.27 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.72 2p71 h ASP 27 CO 0.63 0.17 0.65 0.00 -1.72 0.00 0.00 179.24 178.97 2p71 h ALA 28 N 1.83 2.12 0.01 3.45 0.00 -1.99 -1.85 119.26 122.83 2p71 h ALA 28 Ca -0.00 0.08 -0.20 0.00 0.00 0.00 0.00 54.91 54.78 2p71 h ALA 28 Cb 0.41 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2p71 h ALA 28 CO 0.02 -0.54 -0.90 -0.84 0.00 0.00 0.00 179.25 176.99 2p71 h ILE 29 N 0.44 1.51 -0.36 0.00 -2.65 -1.00 -2.15 117.51 113.31 2p71 h ILE 29 Ca 0.61 -2.69 -0.12 0.00 1.03 0.00 0.00 64.86 63.69 2p71 h ILE 29 Cb 1.43 2.51 -0.01 0.00 -2.05 0.00 0.00 36.82 38.70 2p71 h ILE 29 CO -0.34 0.78 -0.25 0.78 0.03 0.00 0.00 178.15 179.15 2p71 h ASN 30 N 0.09 0.76 -0.52 2.16 2.35 -1.36 -1.96 115.58 117.10 2p71 h ASN 30 Ca -0.04 -0.28 -0.00 0.00 -0.55 0.00 0.00 56.30 55.42 2p71 h ASN 30 Cb 1.54 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 39.67 2p71 h ASN 30 CO 0.14 0.98 0.33 -0.08 -1.65 0.00 0.00 177.43 177.14 2p71 h GLU 31 N 0.64 0.71 -0.84 0.81 4.81 -1.30 -1.05 114.58 118.35 2p71 h GLU 31 Ca 0.08 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 2p71 h GLU 31 Cb 0.76 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.95 2p71 h GLU 31 CO 0.06 0.50 0.45 -0.44 -0.73 0.00 0.00 179.01 178.85 2p71 h ASP 32 N 0.71 1.06 -0.26 1.04 3.32 -1.21 -1.65 116.42 119.42 2p71 h ASP 32 Ca 0.19 -0.10 -0.16 0.00 0.02 0.00 0.00 57.03 56.98 2p71 h ASP 32 Cb -0.04 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.24 2p71 h ASP 32 CO -0.04 0.86 -0.45 -0.26 -1.72 0.00 0.00 179.24 177.64 2p71 h PHE 33 N 1.18 0.96 -0.91 4.55 0.04 -1.27 0.20 116.94 121.69 2p71 h PHE 33 Ca 0.30 -0.33 0.08 0.00 2.80 0.00 0.00 57.97 60.82 2p71 h PHE 33 Cb 0.05 -0.18 -0.06 0.00 2.20 0.00 0.00 35.95 37.95 2p71 h PHE 33 CO 0.01 1.13 0.59 -0.92 -0.60 0.00 0.00 178.31 178.52 2p71 h TYR 34 N 0.52 1.02 -0.01 -0.55 3.20 -0.85 -3.01 116.97 117.29 2p71 h TYR 34 Ca 0.02 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.92 2p71 h TYR 34 Cb 1.05 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.99 2p71 h TYR 34 CO 0.08 0.49 -0.36 0.09 -1.64 0.00 0.00 178.16 176.82 2p71 n ASN 35 N -4.52 1.05 -0.31 -2.11 3.02 -0.65 -4.68 115.26 107.05 2p71 n ASN 35 Ca 0.15 -0.85 0.08 0.00 -0.03 0.00 0.00 54.58 53.92 2p71 n ASN 35 Cb 0.26 0.23 0.18 0.00 -0.61 0.00 0.00 39.78 39.85 2p71 n ASN 35 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 2p71 h PHE 36 N 1.08 -0.23 -0.15 3.10 3.57 -0.47 0.07 116.94 123.90 2p71 h PHE 36 Ca 0.00 0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.57 2p71 h PHE 36 Cb 0.53 0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.52 2p71 h PHE 36 CO 0.00 -0.36 0.00 0.91 -2.23 0.00 0.00 178.31 176.63 2p71 n TRP 37 N -5.49 0.19 -2.03 0.41 7.02 -1.26 -4.90 117.44 111.37 2p71 n TRP 37 Ca 0.17 -0.09 -0.41 0.00 -1.02 0.00 0.00 57.50 56.14 2p71 n TRP 37 Cb 0.55 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.42 2p71 n TRP 37 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 2p71 s LYS 38 N -1.81 4.29 0.43 -0.99 3.01 0.01 -4.84 119.74 119.83 2p71 s LYS 38 Ca 0.34 2.29 -0.24 0.00 -1.01 0.00 0.00 55.97 57.35 2p71 s LYS 38 Cb 0.19 -3.09 -0.08 0.00 -1.01 0.00 0.00 37.83 33.84 2p71 s LYS 38 CO 0.29 -0.35 1.15 -2.00 0.51 0.00 0.00 175.35 174.94 2p71 s GLU 39 N -0.90 3.93 0.00 1.68 2.12 -1.26 -1.63 118.70 122.63 2p71 s GLU 39 Ca 0.56 1.77 0.00 0.00 0.36 0.00 0.00 54.97 57.65 2p71 s GLU 39 Cb -0.41 -2.53 0.00 0.00 0.26 0.00 0.00 34.13 31.45 2p71 s GLU 39 CO 0.47 -0.41 0.00 0.41 -0.54 0.00 0.00 175.26 175.20 2p71 n GLY 40 N 0.50 0.08 3.76 -1.50 0.00 -1.26 -4.99 105.19 101.79 2p71 n GLY 40 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 2p71 n GLY 40 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2p71 s TYR 41 N -1.24 3.04 -0.13 1.61 5.04 -0.65 -5.02 117.35 120.01 2p71 s TYR 41 Ca 0.00 1.35 0.00 0.00 -2.44 0.00 0.00 57.07 55.98 2p71 s TYR 41 Cb 0.00 -3.70 -0.01 0.00 0.35 0.00 0.00 41.96 38.59 2p71 s TYR 41 CO 0.00 -2.00 -0.14 -1.21 -1.34 0.00 0.00 175.55 170.86 2p71 s GLU 42 N -1.52 3.34 -0.16 4.97 2.02 -1.26 -4.99 118.70 121.10 2p71 s GLU 42 Ca 0.51 -0.70 -0.27 0.00 0.02 0.00 0.00 54.97 54.53 2p71 s GLU 42 Cb -0.40 -2.60 -0.01 0.00 0.10 0.00 0.00 34.13 31.22 2p71 s GLU 42 CO 0.51 0.23 0.94 0.42 0.02 0.00 0.00 175.26 177.37 2p71 s ILE 43 N 0.31 4.80 -0.37 -1.63 -1.09 -1.26 -4.91 121.20 117.06 2p71 s ILE 43 Ca -0.11 1.86 0.10 0.00 -2.23 0.00 0.00 60.65 60.27 2p71 s ILE 43 Cb -0.16 -4.23 -0.12 0.00 -1.58 0.00 0.00 42.46 36.37 2p71 s ILE 43 CO 0.06 -0.03 0.37 0.29 -1.23 0.00 0.00 174.94 174.40 2p71 n LYS 44 N 5.42 3.03 -3.14 2.79 5.02 -1.26 -4.98 118.16 125.04 2p71 n LYS 44 Ca 0.08 -0.02 -0.41 0.00 -2.02 0.00 0.00 58.31 55.94 2p71 n LYS 44 Cb 0.48 -1.02 -0.07 0.00 -0.02 0.00 0.00 35.03 34.40 2p71 n LYS 44 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2p71 s ASN 45 N -2.19 6.49 0.39 4.39 0.01 -1.26 -4.92 114.94 117.84 2p71 s ASN 45 Ca 0.02 0.46 0.15 0.00 -0.71 0.00 0.00 52.86 52.79 2p71 s ASN 45 Cb 0.07 -2.32 1.01 0.00 0.41 0.00 0.00 41.25 40.43 2p71 s ASN 45 CO 0.41 -0.43 1.81 -0.09 -1.51 0.00 0.00 177.10 177.30 2p71 h ARG 46 N 8.13 0.47 0.00 -0.60 2.43 -1.94 -0.92 114.38 121.94 2p71 h ARG 46 Ca -0.27 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.87 2p71 h ARG 46 Cb 1.12 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.57 2p71 h ARG 46 CO 0.78 0.31 0.00 0.93 -1.51 0.00 0.00 179.97 180.48 2p71 h GLU 47 N 0.49 0.00 -0.67 0.20 5.08 -1.94 -1.34 114.58 116.39 2p71 h GLU 47 Ca 0.53 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.88 2p71 h GLU 47 Cb 1.21 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.42 2p71 h GLU 47 CO -0.25 0.00 0.37 1.15 -1.00 0.00 0.00 179.01 179.28 2p71 h THR 48 N 0.00 1.20 -0.41 1.13 2.02 -1.54 0.07 112.91 115.39 2p71 h THR 48 Ca 0.00 -0.48 -0.12 0.00 0.77 0.00 0.00 66.41 66.58 2p71 h THR 48 Cb 0.75 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.43 2p71 h THR 48 CO 0.00 0.22 -0.23 1.23 0.37 0.00 0.00 175.52 177.11 2p71 h GLY 49 N 0.98 0.89 0.92 2.16 0.00 -1.29 0.26 103.07 106.98 2p71 h GLY 49 Ca 0.24 -0.77 -0.01 0.00 0.00 0.00 0.00 47.33 46.79 2p71 h GLY 49 CO -0.04 0.70 -0.11 0.00 0.00 0.00 0.00 176.54 177.09 2p71 h ALA 51 N 0.38 0.36 -0.69 0.00 0.00 -0.78 -0.24 119.26 118.30 2p71 h ALA 51 Ca -0.03 0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 2p71 h ALA 51 Cb 0.30 0.55 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 2p71 h ALA 51 CO 0.05 -0.46 0.38 0.82 0.00 0.00 0.00 179.25 180.03 2p71 h ILE 52 N -0.03 1.21 -0.16 0.00 1.08 -0.77 0.54 117.51 119.37 2p71 h ILE 52 Ca 0.31 -0.51 -0.19 0.00 -0.39 0.00 0.00 64.86 64.08 2p71 h ILE 52 Cb 0.50 0.28 -0.00 0.00 -3.07 0.00 0.00 36.82 34.53 2p71 h ILE 52 CO -0.69 0.23 -0.66 -0.03 -0.69 0.00 0.00 178.15 176.31 2p71 h MET 53 N 0.95 0.63 -0.49 2.37 4.05 -0.64 -0.46 114.93 121.34 2p71 h MET 53 Ca 0.24 -0.46 -0.01 0.00 -0.28 0.00 0.00 59.70 59.19 2p71 h MET 53 Cb 0.02 0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 30.88 2p71 h MET 53 CO -0.04 1.08 0.26 0.00 0.23 0.00 0.00 176.91 178.44 2p71 h LEU 55 N 0.66 -0.41 -0.73 0.00 3.38 -0.83 -0.85 115.31 116.51 2p71 h LEU 55 Ca 0.17 0.07 -0.11 0.00 0.09 0.00 0.00 57.88 58.10 2p71 h LEU 55 Cb 0.07 0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2p71 h LEU 55 CO -0.03 -0.19 -0.21 0.28 0.09 0.00 0.00 178.44 178.39 2p71 h SER 56 N -0.20 0.75 -0.37 -0.43 0.02 -0.89 -2.27 113.55 110.17 2p71 h SER 56 Ca 0.07 -0.26 -0.15 0.00 -0.84 0.00 0.00 61.79 60.60 2p71 h SER 56 Cb 0.29 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 2p71 h SER 56 CO -0.18 0.95 -0.35 0.74 -1.14 0.00 0.00 176.83 176.85 2p71 h THR 57 N 0.66 1.27 -0.34 -2.27 2.02 -0.83 -1.78 112.91 111.65 2p71 h THR 57 Ca 0.10 -1.52 -0.00 0.00 0.77 0.00 0.00 66.41 65.75 2p71 h THR 57 Cb 0.70 1.34 -0.02 0.00 -1.74 0.00 0.00 68.15 68.44 2p71 h THR 57 CO 0.05 0.51 0.20 0.11 0.37 0.00 0.00 175.52 176.77 2p71 h LYS 58 N 0.75 0.45 -0.13 6.66 1.79 -0.91 -2.58 116.57 122.61 2p71 h LYS 58 Ca 0.07 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 2p71 h LYS 58 Cb 0.93 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.49 2p71 h LYS 58 CO 0.09 0.32 0.00 1.28 -1.08 0.00 0.00 179.45 180.06 2p71 n LEU 59 N -4.47 0.69 -1.69 2.94 4.77 -0.88 -4.94 117.00 113.43 2p71 n LEU 59 Ca 0.02 -0.35 -0.12 0.00 -0.03 0.00 0.00 56.01 55.53 2p71 n LEU 59 Cb 0.08 -0.09 -0.04 0.00 -2.33 0.00 0.00 43.42 41.04 2p71 n LEU 59 CO 0.35 0.17 -0.13 0.59 -1.33 0.00 0.00 177.39 177.05 2p71 n ASN 60 N -0.12 -3.44 0.01 -1.43 3.02 -0.97 -4.89 115.26 107.44 2p71 n ASN 60 Ca 0.04 0.27 0.12 0.00 -0.03 0.00 0.00 54.58 54.98 2p71 n ASN 60 Cb 0.11 -3.14 0.16 0.00 -0.61 0.00 0.00 39.78 36.30 2p71 n ASN 60 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 2p71 n MET 61 N -2.12 0.10 -4.78 3.52 2.81 -0.70 -4.75 117.12 111.21 2p71 n MET 61 Ca -0.13 0.01 -0.27 0.00 -1.81 0.00 0.00 57.70 55.50 2p71 n MET 61 Cb 0.47 -1.55 -0.14 0.00 -0.71 0.00 0.00 33.22 31.29 2p71 n MET 61 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2p71 s LEU 62 N -3.37 2.15 0.47 4.03 1.43 -1.19 -0.86 118.68 121.33 2p71 s LEU 62 Ca 0.09 -0.52 -0.01 0.00 -1.03 0.00 0.00 54.13 52.65 2p71 s LEU 62 Cb 0.16 -1.08 -0.01 0.00 0.03 0.00 0.00 46.19 45.29 2p71 s LEU 62 CO 0.74 0.20 0.71 1.51 0.23 0.00 0.00 176.35 179.74 2p71 s ASP 63 N -1.09 5.88 -0.78 2.29 -4.77 -1.11 -4.54 116.67 112.55 2p71 s ASP 63 Ca 0.09 0.44 -0.23 0.00 -3.30 0.00 0.00 52.55 49.54 2p71 s ASP 63 Cb -0.09 -1.68 -0.17 0.00 -1.09 0.00 0.00 42.92 39.89 2p71 s ASP 63 CO 0.01 -0.71 2.40 -2.65 0.70 0.00 0.00 175.17 174.92 2p71 n PRO 64 N -2.16 0.52 0.00 2.11 -0.02 -1.26 -3.48 135.00 130.71 2p71 n PRO 64 Ca 0.01 -0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.09 2p71 n PRO 64 Cb 0.57 -2.91 0.00 0.00 -0.02 0.00 0.00 33.50 31.14 2p71 n PRO 64 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2p71 n GLU 65 N 8.21 0.00 -0.43 -0.52 0.28 -1.26 -5.02 120.64 121.90 2p71 n GLU 65 Ca 0.50 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.50 2p71 n GLU 65 Cb 0.36 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.23 2p71 n GLU 65 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2p71 n GLY 66 N 0.00 0.01 3.77 -1.84 0.00 -1.23 -5.03 105.19 100.88 2p71 n GLY 66 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2p71 n GLY 66 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2p71 n ASN 67 N 0.00 3.87 -4.75 1.61 3.02 -1.26 -4.78 115.26 112.96 2p71 n ASN 67 Ca 0.00 1.21 -0.40 0.00 -0.03 0.00 0.00 54.58 55.36 2p71 n ASN 67 Cb 0.67 -1.62 -0.05 0.00 -0.61 0.00 0.00 39.78 38.17 2p71 n ASN 67 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2p71 s LEU 68 N -1.78 4.56 -0.53 3.41 2.96 -1.26 -2.74 118.68 123.29 2p71 s LEU 68 Ca 0.55 2.15 -0.25 0.00 -0.22 0.00 0.00 54.13 56.36 2p71 s LEU 68 Cb -0.47 -3.62 0.03 0.00 0.50 0.00 0.00 46.19 42.63 2p71 s LEU 68 CO 0.61 -0.10 0.99 -2.28 -1.32 0.00 0.00 176.35 174.25 2p71 s HIS 69 N -0.93 2.80 0.04 5.38 5.65 -0.04 -4.93 115.29 123.26 2p71 s HIS 69 Ca 0.45 0.20 -0.26 0.00 0.25 0.00 0.00 55.06 55.70 2p71 s HIS 69 Cb -0.30 -4.13 -0.17 0.00 -1.18 0.00 0.00 32.58 26.80 2p71 s HIS 69 CO 0.38 -1.32 1.44 0.45 -0.65 0.00 0.00 174.74 175.04 2p71 h HIS 70 N 9.28 -0.36 -0.70 3.88 -0.00 -1.94 -1.55 115.15 123.76 2p71 h HIS 70 Ca -0.25 -0.01 0.15 0.00 -0.00 0.00 0.00 60.37 60.26 2p71 h HIS 70 Cb 1.07 0.12 -0.12 0.00 -0.00 0.00 0.00 27.41 28.48 2p71 h HIS 70 CO 0.92 -0.09 0.04 0.78 -0.00 0.00 0.00 177.93 179.58 2p71 h GLY 71 N -0.59 0.82 2.00 2.45 0.00 -1.99 0.40 103.07 106.16 2p71 h GLY 71 Ca -0.04 0.07 -0.08 0.00 0.00 0.00 0.00 47.33 47.27 2p71 h GLY 71 CO 0.07 -0.24 -0.40 3.43 0.00 0.00 0.00 176.54 179.40 2p71 h ASN 72 N 0.14 0.00 -0.09 0.19 2.35 -1.79 -1.97 115.58 114.40 2p71 h ASN 72 Ca 0.38 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 56.07 2p71 h ASN 72 Cb 0.65 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.03 2p71 h ASN 72 CO -0.58 0.40 -0.20 0.00 -1.65 0.00 0.00 177.43 175.39 2p71 h ALA 73 N 1.60 0.15 -0.46 -0.83 0.00 -0.60 -1.06 119.26 118.06 2p71 h ALA 73 Ca -0.00 -0.37 0.09 0.00 0.00 0.00 0.00 54.91 54.62 2p71 h ALA 73 Cb 0.80 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.49 2p71 h ALA 73 CO 0.05 0.10 -0.05 1.98 0.00 0.00 0.00 179.25 181.33 2p71 h MET 74 N -0.15 0.05 -0.49 0.00 -1.53 -0.88 -1.56 114.93 110.37 2p71 h MET 74 Ca 0.00 -0.00 0.06 0.00 -3.44 0.00 0.00 59.70 56.31 2p71 h MET 74 Cb 0.80 -0.01 -0.05 0.00 -0.55 0.00 0.00 31.60 31.78 2p71 h MET 74 CO 0.04 0.03 0.20 1.49 0.14 0.00 0.00 176.91 178.82 2p71 h GLU 75 N 0.05 0.39 -0.42 0.39 4.57 -1.28 -1.20 114.58 117.09 2p71 h GLU 75 Ca 0.22 -0.02 0.05 0.00 -1.18 0.00 0.00 59.36 58.43 2p71 h GLU 75 Cb 0.34 -0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 28.79 2p71 h GLU 75 CO -0.42 0.26 0.14 0.35 -1.18 0.00 0.00 179.01 178.16 2p71 h PHE 76 N 0.40 0.25 -0.55 0.92 3.57 -0.80 0.12 116.94 120.86 2p71 h PHE 76 Ca 0.22 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.78 2p71 h PHE 76 Cb 0.19 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 38.84 2p71 h PHE 76 CO -0.13 0.09 0.32 0.00 -2.23 0.00 0.00 178.31 176.36 2p71 h ALA 77 N 1.28 0.70 -0.09 2.41 0.00 -1.11 -2.62 119.26 119.83 2p71 h ALA 77 Ca 0.20 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.93 2p71 h ALA 77 Cb 0.19 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2p71 h ALA 77 CO -0.20 0.03 -0.66 0.87 0.00 0.00 0.00 179.25 179.28 2p71 h LYS 78 N 0.63 0.38 -0.48 0.00 1.57 -0.96 -0.92 116.57 116.78 2p71 h LYS 78 Ca 0.22 -0.28 0.09 0.00 -1.87 0.00 0.00 60.65 58.82 2p71 h LYS 78 Cb 0.05 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 2p71 h LYS 78 CO -0.11 0.91 0.33 -0.22 -0.57 0.00 0.00 179.45 179.79 2p71 h LYS 79 N 0.27 0.24 -0.28 3.15 3.64 -0.53 -3.00 116.57 120.05 2p71 h LYS 79 Ca -0.02 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2p71 h LYS 79 Cb 1.21 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 2p71 h LYS 79 CO 0.11 0.16 0.00 0.72 -2.27 0.00 0.00 179.45 178.17 2p71 n HIS 80 N -4.46 0.61 0.00 1.91 8.25 -0.98 -4.97 115.22 115.58 2p71 n HIS 80 Ca 0.08 -0.67 0.00 0.00 -0.26 0.00 0.00 57.72 56.87 2p71 n HIS 80 Cb 0.38 -0.15 0.00 0.00 1.12 0.00 0.00 29.99 31.34 2p71 n HIS 80 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2p71 n GLY 81 N -0.01 0.92 3.75 -1.41 0.00 -1.04 -4.54 105.19 102.86 2p71 n GLY 81 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 2p71 n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2p71 s ALA 82 N -2.00 3.56 0.97 4.61 0.00 -0.39 -4.99 121.76 123.53 2p71 s ALA 82 Ca 0.00 1.21 -0.16 0.00 0.00 0.00 0.00 51.96 53.01 2p71 s ALA 82 Cb 0.00 -3.51 0.20 0.00 0.00 0.00 0.00 23.12 19.81 2p71 s ALA 82 CO 0.00 -0.62 1.28 0.16 0.00 0.00 0.00 175.76 176.57 2p71 s ASP 83 N 0.20 3.00 0.25 0.00 1.47 -1.26 -4.27 116.67 116.05 2p71 s ASP 83 Ca 0.56 0.39 -0.04 0.00 1.18 0.00 0.00 52.55 54.64 2p71 s ASP 83 Cb -0.39 -0.52 0.39 0.00 -0.34 0.00 0.00 42.92 42.06 2p71 s ASP 83 CO 0.42 -2.82 1.83 -0.33 0.68 0.00 0.00 175.17 174.96 2p71 h GLU 84 N -1.70 0.86 -0.15 2.11 4.39 -2.00 -1.60 114.58 116.51 2p71 h GLU 84 Ca -0.45 -0.05 -0.21 0.00 0.34 0.00 0.00 59.36 58.99 2p71 h GLU 84 Cb 1.25 -0.20 0.01 0.00 -0.10 0.00 0.00 28.75 29.72 2p71 h GLU 84 CO 0.41 0.57 -0.74 1.79 -1.16 0.00 0.00 179.01 179.89 2p71 h THR 85 N 0.89 1.29 -0.50 1.13 1.35 -1.99 -1.94 112.91 113.14 2p71 h THR 85 Ca 0.40 -1.95 -0.03 0.00 -0.55 0.00 0.00 66.41 64.29 2p71 h THR 85 Cb 0.30 2.01 -0.02 0.00 -1.73 0.00 0.00 68.15 68.71 2p71 h THR 85 CO -0.22 0.61 0.21 -0.03 -0.25 0.00 0.00 175.52 175.85 2p71 h MET 86 N 0.48 0.75 -0.49 4.72 1.85 -1.85 -1.54 114.93 118.84 2p71 h MET 86 Ca -0.05 -0.13 0.01 0.00 -0.61 0.00 0.00 59.70 58.92 2p71 h MET 86 Cb 1.37 -0.12 -0.02 0.00 0.43 0.00 0.00 31.60 33.25 2p71 h MET 86 CO 0.15 0.65 0.32 0.00 -0.40 0.00 0.00 176.91 177.64 2p71 h ALA 87 N 1.06 0.62 -0.26 0.39 0.00 -1.15 -0.21 119.26 119.72 2p71 h ALA 87 Ca 0.17 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 2p71 h ALA 87 Cb 0.18 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2p71 h ALA 87 CO -0.02 0.06 0.09 0.37 0.00 0.00 0.00 179.25 179.76 2p71 h GLN 88 N 0.66 0.39 -0.53 0.00 5.75 -1.25 -1.40 115.11 118.74 2p71 h GLN 88 Ca 0.18 -0.08 0.11 0.00 -0.15 0.00 0.00 58.65 58.71 2p71 h GLN 88 Cb -0.07 -0.06 -0.09 0.00 1.07 0.00 0.00 27.48 28.32 2p71 h GLN 88 CO -0.04 0.45 -0.06 1.96 -2.65 0.00 0.00 178.83 178.48 2p71 h GLN 89 N 0.26 0.05 -0.10 1.69 4.20 -0.12 -2.00 115.11 119.09 2p71 h GLN 89 Ca 0.08 -0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.82 2p71 h GLN 89 Cb 0.21 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.94 2p71 h GLN 89 CO -0.00 0.04 -0.11 -0.07 -0.67 0.00 0.00 178.83 178.01 2p71 h LEU 90 N 0.06 -0.35 -0.55 1.46 3.38 -0.82 -2.45 115.31 116.02 2p71 h LEU 90 Ca 0.26 0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.35 2p71 h LEU 90 Cb 0.41 0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.28 2p71 h LEU 90 CO -0.50 -0.15 0.28 0.40 0.09 0.00 0.00 178.44 178.56 2p71 h ILE 91 N -0.14 0.95 -0.81 1.22 1.08 -1.04 -1.04 117.51 117.73 2p71 h ILE 91 Ca 0.08 -0.19 0.07 0.00 -0.39 0.00 0.00 64.86 64.43 2p71 h ILE 91 Cb 0.26 0.36 -0.06 0.00 -3.07 0.00 0.00 36.82 34.30 2p71 h ILE 91 CO -0.19 0.10 0.48 0.44 -0.69 0.00 0.00 178.15 178.29 2p71 h ASP 92 N 0.54 0.73 0.31 1.72 3.32 -1.23 0.11 116.42 121.93 2p71 h ASP 92 Ca 0.25 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.31 2p71 h ASP 92 Cb 0.16 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.59 2p71 h ASP 92 CO -0.17 0.45 -0.15 0.40 -1.72 0.00 0.00 179.24 178.05 2p71 h ILE 93 N 0.85 0.70 -0.89 0.35 2.04 -0.93 0.66 117.51 120.29 2p71 h ILE 93 Ca 0.37 -0.50 0.10 0.00 1.00 0.00 0.00 64.86 65.83 2p71 h ILE 93 Cb 0.24 0.96 -0.08 0.00 -0.74 0.00 0.00 36.82 37.20 2p71 h ILE 93 CO -0.20 0.10 0.53 0.58 0.00 0.00 0.00 178.15 179.16 2p71 h VAL 94 N -0.70 0.92 -0.36 1.67 2.07 -0.86 0.14 116.25 119.12 2p71 h VAL 94 Ca -0.04 -0.30 -0.09 0.00 0.82 0.00 0.00 66.70 67.09 2p71 h VAL 94 Cb 0.48 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 2p71 h VAL 94 CO 0.07 0.16 -0.13 -0.74 0.02 0.00 0.00 177.57 176.95 2p71 h HIS 95 N 0.88 0.82 -0.76 1.57 -0.00 -0.65 0.51 115.15 117.51 2p71 h HIS 95 Ca 0.43 -0.19 0.11 0.00 -0.00 0.00 0.00 60.37 60.72 2p71 h HIS 95 Cb 0.40 -0.19 -0.08 0.00 -0.00 0.00 0.00 27.41 27.53 2p71 h HIS 95 CO -0.04 0.89 0.39 0.78 -0.00 0.00 0.00 177.93 179.95 2p71 h GLY 96 N 0.51 1.18 1.50 5.26 0.00 -0.43 -2.48 103.07 108.61 2p71 h GLY 96 Ca 0.09 -0.24 -0.17 0.00 0.00 0.00 0.00 47.33 47.01 2p71 h GLY 96 CO 0.04 0.03 -0.63 0.00 0.00 0.00 0.00 176.54 175.99 2p71 h GLU 98 N 0.37 0.96 -0.32 0.00 5.08 -0.61 -1.47 114.58 118.60 2p71 h GLU 98 Ca -0.01 -0.06 -0.16 0.00 -1.00 0.00 0.00 59.36 58.14 2p71 h GLU 98 Cb 1.18 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 2p71 h GLU 98 CO 0.11 0.64 -0.42 0.87 -1.00 0.00 0.00 179.01 179.21 2p71 h LYS 99 N 0.99 0.81 0.00 2.33 1.57 -1.20 -3.27 116.57 117.79 2p71 h LYS 99 Ca 0.32 -0.44 -0.02 0.00 -1.87 0.00 0.00 60.65 58.64 2p71 h LYS 99 Cb 0.04 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.37 2p71 h LYS 99 CO -0.09 1.07 -0.56 0.66 -0.57 0.00 0.00 179.45 179.96 2p71 h SER 100 N 0.65 0.00 -3.27 0.86 4.64 -1.21 -3.45 113.55 111.77 2p71 h SER 100 Ca 0.05 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.79 2p71 h SER 100 Cb 0.99 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.02 2p71 h SER 100 CO 0.10 0.09 -0.06 0.28 -0.87 0.00 0.00 176.83 176.37 2p71 s THR 101 N -3.23 4.96 0.48 2.95 -1.32 -0.57 -5.03 115.64 113.89 2p71 s THR 101 Ca 0.03 1.14 -0.24 0.00 -1.21 0.00 0.00 61.69 61.42 2p71 s THR 101 Cb 0.07 -3.88 -0.07 0.00 -1.51 0.00 0.00 72.50 67.11 2p71 s THR 101 CO 0.74 0.43 1.32 -2.84 -2.21 0.00 0.00 174.62 172.05 2p71 s PRO 102 N -0.20 3.56 0.53 7.08 0.02 -1.26 -4.95 135.00 139.78 2p71 s PRO 102 Ca 0.29 2.16 -0.21 0.00 0.02 0.00 0.00 61.00 63.26 2p71 s PRO 102 Cb -0.18 -2.48 -0.07 0.00 0.02 0.00 0.00 34.50 31.80 2p71 s PRO 102 CO 0.16 -0.83 1.02 0.00 -0.33 0.00 0.00 177.00 177.02 2p71 n ALA 103 N -0.50 0.36 -3.65 -1.55 0.00 -1.26 -4.92 120.51 108.99 2p71 n ALA 103 Ca 0.07 0.09 -0.05 0.00 0.00 0.00 0.00 53.44 53.56 2p71 n ALA 103 Cb 0.45 -2.13 -0.06 0.00 0.00 0.00 0.00 19.45 17.71 2p71 n ALA 103 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2p71 s ASN 104 N -1.02 -0.99 0.58 0.00 3.04 -1.26 -4.99 114.94 110.29 2p71 s ASN 104 Ca 0.71 1.50 0.36 0.00 0.04 0.00 0.00 52.86 55.47 2p71 s ASN 104 Cb -0.46 1.74 1.73 0.00 -1.54 0.00 0.00 41.25 42.72 2p71 s ASN 104 CO 0.51 -0.23 2.13 0.44 -3.04 0.00 0.00 177.10 176.91 2p71 h ASP 105 N 7.45 0.00 -2.58 -4.21 3.32 -2.04 -3.38 116.42 114.99 2p71 h ASP 105 Ca -0.25 0.00 -0.64 0.00 0.02 0.00 0.00 57.03 56.17 2p71 h ASP 105 Cb 1.17 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.57 2p71 h ASP 105 CO 0.14 0.03 0.61 -0.62 -1.72 0.00 0.00 179.24 177.68 2p71 s ASP 106 N -5.62 6.24 0.54 6.45 -1.08 -1.26 -4.87 116.67 117.07 2p71 s ASP 106 Ca -0.02 -1.13 0.31 0.00 -0.52 0.00 0.00 52.55 51.19 2p71 s ASP 106 Cb 0.11 -2.42 1.50 0.00 -1.46 0.00 0.00 42.92 40.65 2p71 s ASP 106 CO 0.51 -1.40 2.06 0.11 0.52 0.00 0.00 175.17 176.97 2p71 h LYS 107 N 9.49 0.00 -0.09 4.34 1.79 -1.99 -1.19 116.57 128.91 2p71 h LYS 107 Ca -0.22 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.15 2p71 h LYS 107 Cb 1.06 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.72 2p71 h LYS 107 CO 1.18 0.09 -0.32 0.00 -1.08 0.00 0.00 179.45 179.32 2p71 h ILE 109 N -0.07 1.28 -0.58 0.00 2.04 -1.80 -2.42 117.51 115.96 2p71 h ILE 109 Ca -0.01 -1.27 0.08 0.00 1.00 0.00 0.00 64.86 64.65 2p71 h ILE 109 Cb 0.95 1.25 -0.06 0.00 -0.74 0.00 0.00 36.82 38.23 2p71 h ILE 109 CO 0.07 0.43 0.24 -0.25 0.00 0.00 0.00 178.15 178.64 2p71 h TRP 110 N 0.63 0.44 -0.60 1.37 7.01 -1.13 -2.50 115.95 121.16 2p71 h TRP 110 Ca 0.09 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.10 2p71 h TRP 110 Cb 0.70 -0.11 -0.03 0.00 -2.10 0.00 0.00 29.16 27.62 2p71 h TRP 110 CO 0.05 0.15 0.30 1.15 -2.79 0.00 0.00 178.44 177.31 2p71 h THR 111 N 0.45 1.21 -0.73 2.65 2.02 -0.60 -0.96 112.91 116.95 2p71 h THR 111 Ca 0.28 -0.56 0.02 0.00 0.77 0.00 0.00 66.41 66.92 2p71 h THR 111 Cb 0.29 0.48 -0.04 0.00 -1.74 0.00 0.00 68.15 67.14 2p71 h THR 111 CO -0.25 0.23 0.47 -0.07 0.37 0.00 0.00 175.52 176.27 2p71 h LEU 112 N 0.82 0.80 -0.51 2.58 3.38 -1.12 0.88 115.31 122.14 2p71 h LEU 112 Ca 0.21 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 2p71 h LEU 112 Cb 0.09 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 2p71 h LEU 112 CO -0.03 0.57 0.27 1.23 0.09 0.00 0.00 178.44 180.57 2p71 h GLY 113 N 0.94 0.76 0.90 0.83 0.00 -0.98 0.16 103.07 105.68 2p71 h GLY 113 Ca 0.28 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 2p71 h GLY 113 CO -0.08 0.33 0.10 -2.08 0.00 0.00 0.00 176.54 174.81 2p71 h VAL 114 N 0.67 1.16 -0.93 4.60 2.07 -0.91 -2.27 116.25 120.65 2p71 h VAL 114 Ca 0.18 -0.48 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 2p71 h VAL 114 Cb 0.06 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 2p71 h VAL 114 CO -0.03 0.16 0.56 0.00 0.02 0.00 0.00 177.57 178.28 2p71 h ALA 115 N 0.94 1.19 -0.44 1.67 0.00 -0.75 0.94 119.26 122.80 2p71 h ALA 115 Ca 0.08 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.93 2p71 h ALA 115 Cb 0.16 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 2p71 h ALA 115 CO -0.01 0.65 0.19 1.15 0.00 0.00 0.00 179.25 181.24 2p71 h THR 116 N 1.29 0.92 -0.50 0.00 2.02 -0.65 -0.84 112.91 115.15 2p71 h THR 116 Ca 0.33 -0.13 -0.02 0.00 0.77 0.00 0.00 66.41 67.36 2p71 h THR 116 Cb -0.04 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 66.84 2p71 h THR 116 CO -0.06 0.07 0.24 0.00 0.37 0.00 0.00 175.52 176.14 2p71 h PHE 118 N 0.66 0.48 -0.17 0.00 3.57 -0.72 -1.90 116.94 118.85 2p71 h PHE 118 Ca 0.17 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.68 2p71 h PHE 118 Cb 0.12 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.69 2p71 h PHE 118 CO -0.01 0.30 0.10 -0.22 -2.23 0.00 0.00 178.31 176.25 2p71 h LYS 119 N 0.52 0.23 -0.73 1.11 3.64 -1.03 -1.72 116.57 118.59 2p71 h LYS 119 Ca 0.14 -0.02 0.13 0.00 -1.27 0.00 0.00 60.65 59.63 2p71 h LYS 119 Cb -0.06 -0.05 -0.09 0.00 -0.41 0.00 0.00 32.23 31.62 2p71 h LYS 119 CO -0.03 0.21 0.28 0.00 -2.27 0.00 0.00 179.45 177.63 2p71 h ALA 120 N 1.01 1.01 0.00 5.00 0.00 -1.19 -1.44 119.26 123.65 2p71 h ALA 120 Ca 0.06 0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.95 2p71 h ALA 120 Cb 0.04 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2p71 h ALA 120 CO -0.01 -0.21 -0.64 0.93 0.00 0.00 0.00 179.25 179.32 2p71 h GLU 121 N 0.43 0.00 -0.23 0.00 4.39 -0.75 -2.35 114.58 116.07 2p71 h GLU 121 Ca 0.40 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.99 2p71 h GLU 121 Cb 0.59 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.24 2p71 h GLU 121 CO -0.40 0.64 -0.26 0.82 -1.16 0.00 0.00 179.01 178.65 2p71 h ILE 122 N 0.00 1.32 -0.99 3.13 1.08 -0.72 -1.78 117.51 119.54 2p71 h ILE 122 Ca -0.01 -1.45 0.15 0.00 -0.39 0.00 0.00 64.86 63.17 2p71 h ILE 122 Cb 1.17 1.72 -0.10 0.00 -3.07 0.00 0.00 36.82 36.55 2p71 h ILE 122 CO 0.08 0.45 0.61 0.45 -0.69 0.00 0.00 178.15 179.05 2p71 h HIS 123 N 0.28 1.09 0.00 1.37 3.86 -1.13 0.81 115.15 121.43 2p71 h HIS 123 Ca 0.03 0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.21 2p71 h HIS 123 Cb 0.83 -0.33 -0.01 0.00 1.06 0.00 0.00 27.41 28.96 2p71 h HIS 123 CO 0.08 0.34 -0.30 0.87 0.86 0.00 0.00 177.93 179.77 2p71 h LYS 124 N 0.87 0.00 0.00 2.45 1.57 -0.80 -1.02 116.57 119.64 2p71 h LYS 124 Ca 0.53 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.31 2p71 h LYS 124 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.99 2p71 h LYS 124 CO -0.32 0.30 -0.23 1.28 -0.57 0.00 0.00 179.45 179.91 2p71 n LEU 125 N -3.61 0.30 -1.58 2.94 4.32 -0.81 -4.92 117.00 113.64 2p71 n LEU 125 Ca -0.01 0.30 -0.15 0.00 -0.02 0.00 0.00 56.01 56.14 2p71 n LEU 125 Cb 0.43 -0.37 -0.02 0.00 -1.62 0.00 0.00 43.42 41.85 2p71 n LEU 125 CO 0.35 0.03 -0.18 -3.20 -1.22 0.00 0.00 177.39 173.17 2p71 n ASN 126 N -1.61 -4.48 -0.99 -1.43 4.05 -0.39 -4.96 115.26 105.45 2p71 n ASN 126 Ca 0.06 0.04 0.12 0.00 0.45 0.00 0.00 54.58 55.25 2p71 n ASN 126 Cb 0.35 -3.58 0.20 0.00 1.23 0.00 0.00 39.78 37.99 2p71 n ASN 126 CO 0.00 0.00 0.00 0.79 -3.05 0.00 0.00 177.26 175.00 2p71 n TRP 127 N -3.80 0.25 -2.07 1.20 8.01 0.26 -4.70 117.44 116.59 2p71 n TRP 127 Ca -0.17 -0.13 -0.42 0.00 -1.31 0.00 0.00 57.50 55.47 2p71 n TRP 127 Cb 0.61 0.00 -0.03 0.00 -2.01 0.00 0.00 31.31 29.88 2p71 n TRP 127 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2p71 s ALA 128 N -1.75 3.64 0.60 6.99 0.00 -1.20 -4.15 121.76 125.90 2p71 s ALA 128 Ca 0.34 1.08 -0.09 0.00 0.00 0.00 0.00 51.96 53.29 2p71 s ALA 128 Cb 0.21 -3.63 -0.02 0.00 0.00 0.00 0.00 23.12 19.68 2p71 s ALA 128 CO 0.31 -0.95 0.98 -1.25 0.00 0.00 0.00 175.76 174.84 2p71 s PRO 129 N 2.28 3.35 -0.42 0.00 0.04 -1.26 -4.95 135.00 134.04 2p71 s PRO 129 Ca 0.69 0.48 -0.20 0.00 0.04 0.00 0.00 61.00 62.00 2p71 s PRO 129 Cb -0.36 -2.15 0.02 0.00 0.04 0.00 0.00 34.50 32.04 2p71 s PRO 129 CO 0.30 -0.60 0.63 0.45 0.04 0.00 0.00 177.00 177.81 2p71 s SER 130 N -4.22 6.34 0.50 6.66 0.15 -1.26 -4.86 113.70 117.01 2p71 s SER 130 Ca 0.54 -0.25 0.30 0.00 0.70 0.00 0.00 55.95 57.24 2p71 s SER 130 Cb -0.11 -2.31 1.03 0.00 -1.71 0.00 0.00 66.02 62.92 2p71 s SER 130 CO 0.51 -0.72 1.86 0.24 1.20 0.00 0.00 173.24 176.32 2p71 h MET 131 N 8.78 0.00 0.00 5.44 2.86 -1.96 -3.51 114.93 126.54 2p71 h MET 131 Ca -0.26 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.38 2p71 h MET 131 Cb 1.10 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.76 2p71 h MET 131 CO 0.87 0.00 0.00 -3.47 1.06 0.00 0.00 176.91 175.37