#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pqs n THR 2 N 0.46 2.58 -3.20 0.00 -1.04 -1.26 -3.44 114.28 108.39 2pqs n THR 2 Ca 0.39 -3.26 -0.28 0.00 -2.04 0.00 0.00 64.05 58.86 2pqs n THR 2 Cb 0.29 -0.60 -0.02 0.00 -1.82 0.00 0.00 70.33 68.18 2pqs n THR 2 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2pqs s GLU 3 N -3.40 3.61 0.58 -2.82 8.01 -0.82 -4.54 118.70 119.32 2pqs s GLU 3 Ca 0.47 0.02 -0.20 0.00 0.01 0.00 0.00 54.97 55.27 2pqs s GLU 3 Cb 0.41 -2.59 -0.05 0.00 -4.31 0.00 0.00 34.13 27.60 2pqs s GLU 3 CO -0.01 0.12 1.14 -2.30 0.01 0.00 0.00 175.26 174.23 2pqs n PRO 4 N -1.31 1.20 -0.08 0.39 -0.02 -1.26 0.08 135.00 134.00 2pqs n PRO 4 Ca -0.02 0.46 0.12 0.00 -2.02 0.00 0.00 63.50 62.04 2pqs n PRO 4 Cb 0.54 -2.34 0.16 0.00 -0.02 0.00 0.00 33.50 31.84 2pqs n PRO 4 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2pqs n LEU 5 N -0.94 3.15 0.00 2.45 4.77 0.52 -4.75 117.00 122.21 2pqs n LEU 5 Ca 0.13 -1.19 0.00 0.00 -0.03 0.00 0.00 56.01 54.92 2pqs n LEU 5 Cb 0.46 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 2pqs n LEU 5 CO 0.51 0.59 0.00 0.61 -1.33 0.00 0.00 177.39 177.77 2pqs n GLY 6 N 1.41 1.42 0.11 -0.72 0.00 -1.26 -4.64 105.19 101.51 2pqs n GLY 6 Ca 0.16 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.11 2pqs n GLY 6 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2pqs h LEU 7 N 0.00 -0.13 -0.68 0.99 3.38 -1.90 -0.34 115.31 116.63 2pqs h LEU 7 Ca 0.00 -0.31 0.06 0.00 0.09 0.00 0.00 57.88 57.72 2pqs h LEU 7 Cb 0.00 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.73 2pqs h LEU 7 CO 0.00 0.47 0.39 0.50 0.09 0.00 0.00 178.44 179.88 2pqs h LYS 8 N -0.97 0.69 -0.64 1.13 3.64 -1.81 -2.54 116.57 116.07 2pqs h LYS 8 Ca -0.02 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2pqs h LYS 8 Cb 0.44 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 2pqs h LYS 8 CO 0.03 0.46 0.00 -0.40 -2.27 0.00 0.00 179.45 177.26 2pqs n ASP 9 N -4.77 3.43 -1.76 4.20 5.68 -1.26 -4.91 116.55 117.17 2pqs n ASP 9 Ca 0.09 -2.37 -0.18 0.00 -0.50 0.00 0.00 54.79 51.82 2pqs n ASP 9 Cb 0.17 -0.51 -0.06 0.00 -1.14 0.00 0.00 41.12 39.58 2pqs n ASP 9 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 2pqs n ASN 10 N 0.56 -4.95 -0.32 -1.12 4.13 -0.96 -4.84 115.26 107.76 2pqs n ASN 10 Ca 0.17 0.35 -0.04 0.00 1.68 0.00 0.00 54.58 56.73 2pqs n ASN 10 Cb 0.68 -4.35 0.08 0.00 -1.54 0.00 0.00 39.78 34.65 2pqs n ASN 10 CO 0.00 0.00 0.00 0.74 0.28 0.00 0.00 177.26 178.28 2pqs h THR 11 N 0.00 1.25 -3.29 3.41 2.02 -1.37 -3.38 112.91 111.55 2pqs h THR 11 Ca -0.39 -0.62 -0.59 0.00 0.77 0.00 0.00 66.41 65.58 2pqs h THR 11 Cb 1.23 0.10 -0.08 0.00 -1.74 0.00 0.00 68.15 67.66 2pqs h THR 11 CO 0.54 0.28 0.43 -0.63 0.37 0.00 0.00 175.52 176.51 2pqs s ILE 12 N -5.84 4.86 0.59 3.11 1.01 -0.56 -5.03 121.20 119.34 2pqs s ILE 12 Ca -0.13 1.61 -0.18 0.00 0.00 0.00 0.00 60.65 61.95 2pqs s ILE 12 Cb 0.16 -4.13 -0.03 0.00 0.01 0.00 0.00 42.46 38.47 2pqs s ILE 12 CO 0.82 -0.02 1.13 -2.16 0.00 0.00 0.00 174.94 174.71 2pqs s PRO 13 N 2.47 3.09 0.21 2.79 0.04 -1.26 -4.88 135.00 137.46 2pqs s PRO 13 Ca 0.37 1.54 -0.10 0.00 0.04 0.00 0.00 61.00 62.85 2pqs s PRO 13 Cb -0.16 -1.98 0.30 0.00 0.04 0.00 0.00 34.50 32.71 2pqs s PRO 13 CO 0.10 -1.04 1.69 -0.91 0.04 0.00 0.00 177.00 176.88 2pqs h ASN 14 N 0.69 -0.09 -0.06 6.66 4.21 -1.92 -0.97 115.58 124.10 2pqs h ASN 14 Ca -0.49 0.13 0.02 0.00 1.21 0.00 0.00 56.30 57.17 2pqs h ASN 14 Cb 1.26 0.19 -0.00 0.00 -1.12 0.00 0.00 38.32 38.65 2pqs h ASN 14 CO 0.56 -0.04 0.15 0.07 -1.29 0.00 0.00 177.43 176.88 2pqs h LYS 15 N 0.21 0.00 -0.02 0.81 2.10 -1.99 -0.32 116.57 117.35 2pqs h LYS 15 Ca 0.32 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.97 2pqs h LYS 15 Cb 0.50 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.83 2pqs h LYS 15 CO -0.45 0.00 0.00 1.04 -2.00 0.00 0.00 179.45 178.04 2pqs n GLN 16 N -3.33 1.34 -4.09 0.07 6.02 -0.37 -4.72 117.38 112.31 2pqs n GLN 16 Ca -0.01 -0.50 -0.33 0.00 -0.01 0.00 0.00 57.00 56.14 2pqs n GLN 16 Cb 0.23 -1.46 -0.16 0.00 1.02 0.00 0.00 30.24 29.88 2pqs n GLN 16 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2pqs s ILE 17 N -1.98 2.21 0.39 5.09 1.01 -0.13 -0.62 121.20 127.17 2pqs s ILE 17 Ca 0.40 -1.08 0.04 0.00 0.00 0.00 0.00 60.65 60.01 2pqs s ILE 17 Cb 0.20 -2.03 -0.03 0.00 0.01 0.00 0.00 42.46 40.61 2pqs s ILE 17 CO 0.33 0.38 0.16 0.42 0.00 0.00 0.00 174.94 176.22 2pqs s THR 18 N 1.26 0.48 0.21 2.92 -4.23 -0.16 -4.13 115.64 111.99 2pqs s THR 18 Ca 0.01 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 58.35 2pqs s THR 18 Cb -0.15 -2.38 0.03 0.00 1.34 0.00 0.00 72.50 71.34 2pqs s THR 18 CO -0.10 0.00 0.55 0.00 -0.54 0.00 0.00 174.62 174.53 2pqs s ALA 19 N -3.27 -0.94 0.54 3.99 0.00 -1.26 0.95 121.76 121.77 2pqs s ALA 19 Ca 0.27 -0.26 0.27 0.00 0.00 0.00 0.00 51.96 52.25 2pqs s ALA 19 Cb 0.03 0.87 1.66 0.00 0.00 0.00 0.00 23.12 25.68 2pqs s ALA 19 CO 0.17 -0.84 2.20 0.66 0.00 0.00 0.00 175.76 177.95 2pqs h SER 20 N 2.17 0.00 0.00 0.00 4.64 -1.51 -3.46 113.55 115.38 2pqs h SER 20 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 2pqs h SER 20 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 2pqs h SER 20 CO 0.35 0.04 0.00 -1.54 -0.87 0.00 0.00 176.83 174.81 2pqs n SER 21 N -3.88 0.00 -3.73 4.97 3.41 -1.26 -4.99 113.62 108.14 2pqs n SER 21 Ca -0.03 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.46 2pqs n SER 21 Cb 0.12 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.00 2pqs n SER 21 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 2pqs s TYR 22 N -2.00 -0.15 0.36 7.33 -0.85 -1.26 -3.97 117.35 116.81 2pqs s TYR 22 Ca 0.00 0.06 -0.16 0.00 -0.52 0.00 0.00 57.07 56.45 2pqs s TYR 22 Cb 0.00 0.13 -0.09 0.00 0.38 0.00 0.00 41.96 42.38 2pqs s TYR 22 CO 0.00 -0.51 0.79 -0.47 -1.52 0.00 0.00 175.55 173.84 2pqs s TYR 23 N -2.44 3.38 -0.17 -3.49 5.04 0.15 -3.79 117.35 116.02 2pqs s TYR 23 Ca -0.06 1.28 -0.01 0.00 -2.44 0.00 0.00 57.07 55.85 2pqs s TYR 23 Cb -0.01 -2.60 0.04 0.00 0.35 0.00 0.00 41.96 39.75 2pqs s TYR 23 CO -0.03 0.00 -0.04 0.15 -1.34 0.00 0.00 175.55 174.30 2pqs s LYS 24 N -3.19 1.29 0.24 4.97 1.02 -1.26 0.49 119.74 123.29 2pqs s LYS 24 Ca 0.56 -0.51 -0.30 0.00 0.02 0.00 0.00 55.97 55.73 2pqs s LYS 24 Cb -0.10 -2.01 -0.10 0.00 -0.52 0.00 0.00 37.83 35.09 2pqs s LYS 24 CO 0.19 -0.47 1.52 0.99 -0.92 0.00 0.00 175.35 176.66 2pqs s THR 25 N 1.66 2.48 -0.67 2.17 2.01 -0.90 -1.46 115.64 120.93 2pqs s THR 25 Ca 0.00 0.38 0.00 0.00 0.31 0.00 0.00 61.69 62.39 2pqs s THR 25 Cb -0.16 -3.25 0.00 0.00 0.01 0.00 0.00 72.50 69.11 2pqs s THR 25 CO -0.07 0.05 0.00 0.79 -0.69 0.00 0.00 174.62 174.70 2pqs n TRP 26 N 2.74 -0.02 -0.95 4.92 7.02 -1.26 -1.20 117.44 128.69 2pqs n TRP 26 Ca 0.09 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.57 2pqs n TRP 26 Cb 0.39 -2.38 0.00 0.00 -2.42 0.00 0.00 31.31 26.90 2pqs n TRP 26 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2pqs n GLY 27 N 0.53 0.63 3.67 6.99 0.00 -0.54 -5.00 105.19 111.47 2pqs n GLY 27 Ca -0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 2pqs n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pqs s LEU 28 N 0.00 4.17 0.36 0.99 1.43 -0.34 -4.97 118.68 120.31 2pqs s LEU 28 Ca 0.00 0.93 0.10 0.00 -1.03 0.00 0.00 54.13 54.13 2pqs s LEU 28 Cb 0.00 -2.97 0.85 0.00 0.03 0.00 0.00 46.19 44.10 2pqs s LEU 28 CO 0.00 -0.28 1.85 0.28 0.23 0.00 0.00 176.35 178.43 2pqs h SER 29 N 7.37 0.63 0.47 2.29 0.02 -1.95 0.17 113.55 122.55 2pqs h SER 29 Ca -0.32 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 2pqs h SER 29 Cb 1.15 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.61 2pqs h SER 29 CO 0.78 0.29 0.00 0.00 -1.14 0.00 0.00 176.83 176.77 2pqs h ALA 30 N 1.61 1.00 -0.51 3.77 0.00 -1.94 -1.61 119.26 121.57 2pqs h ALA 30 Ca 0.48 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 55.14 2pqs h ALA 30 Cb 0.84 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.48 2pqs h ALA 30 CO -0.23 0.00 0.11 1.19 0.00 0.00 0.00 179.25 180.32 2pqs n PHE 31 N -2.46 1.58 -2.40 0.00 0.99 0.58 -5.01 117.46 110.74 2pqs n PHE 31 Ca 0.00 -1.58 -0.41 0.00 -0.00 0.00 0.00 57.45 55.46 2pqs n PHE 31 Cb 0.16 -0.59 -0.04 0.00 -1.00 0.00 0.00 39.48 38.02 2pqs n PHE 31 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.76 175.64 2pqs s SER 32 N -2.14 7.13 -1.21 4.37 0.01 -0.61 -2.12 113.70 119.13 2pqs s SER 32 Ca 0.48 2.25 -0.10 0.00 1.31 0.00 0.00 55.95 59.89 2pqs s SER 32 Cb 0.42 -2.61 0.20 0.00 0.21 0.00 0.00 66.02 64.24 2pqs s SER 32 CO 0.04 -0.31 1.61 0.79 0.41 0.00 0.00 173.24 175.78 2pqs n TRP 33 N 2.07 3.64 -1.60 2.43 7.02 0.18 -4.98 117.44 126.20 2pqs n TRP 33 Ca 0.03 -3.03 -0.42 0.00 -1.02 0.00 0.00 57.50 53.06 2pqs n TRP 33 Cb 0.45 -1.87 0.01 0.00 -2.42 0.00 0.00 31.31 27.47 2pqs n TRP 33 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 2pqs n PHE 34 N 3.81 1.13 0.11 -5.99 0.99 -1.26 -3.30 117.46 112.95 2pqs n PHE 34 Ca 0.35 0.58 0.07 0.00 -0.00 0.00 0.00 57.45 58.45 2pqs n PHE 34 Cb 0.38 -2.22 0.54 0.00 -1.00 0.00 0.00 39.48 37.17 2pqs n PHE 34 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.76 175.76 2pqs h PRO 35 N 1.58 0.27 -0.47 -1.08 0.13 -1.88 -1.46 132.00 129.07 2pqs h PRO 35 Ca -0.44 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2pqs h PRO 35 Cb 1.34 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2pqs h PRO 35 CO 0.57 0.18 0.00 2.48 -0.23 0.00 0.00 178.00 181.00 2pqs n TYR 36 N -4.50 0.00 0.85 1.56 0.18 -1.26 -1.90 117.16 112.09 2pqs n TYR 36 Ca 0.01 0.00 0.09 0.00 1.88 0.00 0.00 57.90 59.88 2pqs n TYR 36 Cb 0.12 -0.05 -0.07 0.00 -0.38 0.00 0.00 39.34 38.96 2pqs n TYR 36 CO 0.00 0.00 0.00 0.66 -2.08 0.00 0.00 176.86 175.44 2pqs n TYR 37 N -0.18 0.00 -0.75 -3.48 4.01 -0.55 -4.65 117.16 111.55 2pqs n TYR 37 Ca 0.00 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.58 2pqs n TYR 37 Cb 0.12 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.08 2pqs n TYR 37 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2pqs n ALA 38 N -0.97 4.91 -2.95 -0.72 0.00 -0.80 -3.45 120.51 116.53 2pqs n ALA 38 Ca 0.05 -1.74 -0.34 0.00 0.00 0.00 0.00 53.44 51.42 2pqs n ALA 38 Cb 0.32 -2.67 -0.12 0.00 0.00 0.00 0.00 19.45 16.98 2pqs n ALA 38 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2pqs s ARG 39 N 2.38 3.56 0.07 0.00 0.52 -1.26 -0.02 118.95 124.20 2pqs s ARG 39 Ca 0.45 -0.55 -0.37 0.00 -0.52 0.00 0.00 55.73 54.74 2pqs s ARG 39 Cb 0.17 -2.84 -0.17 0.00 0.52 0.00 0.00 34.95 32.62 2pqs s ARG 39 CO -0.02 0.27 1.31 -0.11 0.02 0.00 0.00 175.30 176.77 2pqs n LEU 40 N 3.43 1.43 -1.34 2.53 7.94 0.92 -0.95 117.00 130.96 2pqs n LEU 40 Ca -0.18 1.12 -0.15 0.00 -1.11 0.00 0.00 56.01 55.70 2pqs n LEU 40 Cb 0.53 -1.15 -0.05 0.00 0.53 0.00 0.00 43.42 43.28 2pqs n LEU 40 CO 0.32 -1.15 -0.16 0.47 -1.11 0.00 0.00 177.39 175.76 2pqs n ASP 41 N 2.44 -4.78 -4.72 1.96 8.00 -1.26 -4.60 116.55 113.59 2pqs n ASP 41 Ca 0.19 0.26 -0.42 0.00 0.71 0.00 0.00 54.79 55.53 2pqs n ASP 41 Cb 0.17 -3.71 -0.03 0.00 -0.02 0.00 0.00 41.12 37.54 2pqs n ASP 41 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 2pqs s ASN 42 N -2.68 6.88 0.27 -2.24 2.47 -0.12 -5.01 114.94 114.50 2pqs s ASN 42 Ca 0.00 2.32 0.09 0.00 0.42 0.00 0.00 52.86 55.69 2pqs s ASN 42 Cb 0.00 -2.60 -0.04 0.00 -1.45 0.00 0.00 41.25 37.16 2pqs s ASN 42 CO 0.00 -0.58 0.03 -1.10 -3.72 0.00 0.00 177.10 171.73 2pqs s GLN 43 N 0.59 2.39 0.00 0.43 -0.21 -1.26 -4.84 119.66 116.76 2pqs s GLN 43 Ca 0.61 -1.37 0.00 0.00 0.02 0.00 0.00 55.36 54.61 2pqs s GLN 43 Cb -0.36 -2.22 0.00 0.00 1.00 0.00 0.00 33.01 31.43 2pqs s GLN 43 CO 0.33 0.36 0.00 0.41 -2.12 0.00 0.00 175.29 174.27 2pqs n GLY 44 N -0.95 0.61 0.03 3.09 0.00 -1.26 -4.71 105.19 101.99 2pqs n GLY 44 Ca -0.06 -2.11 0.11 0.00 0.00 0.00 0.00 46.02 43.96 2pqs n GLY 44 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2pqs n LYS 45 N -0.03 0.24 -2.88 1.61 5.02 -1.26 -4.22 118.16 116.64 2pqs n LYS 45 Ca 0.00 -0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.15 2pqs n LYS 45 Cb 0.00 -1.58 0.00 0.00 -0.02 0.00 0.00 35.03 33.43 2pqs n LYS 45 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 2pqs n PHE 46 N -1.89 0.97 -0.33 2.13 3.01 -1.26 -4.97 117.46 115.12 2pqs n PHE 46 Ca 0.02 -3.28 -0.11 0.00 1.01 0.00 0.00 57.45 55.09 2pqs n PHE 46 Cb 0.42 -0.39 0.05 0.00 -0.01 0.00 0.00 39.48 39.55 2pqs n PHE 46 CO 0.00 0.00 0.00 0.27 1.01 0.00 0.00 176.76 178.04 2pqs n ASN 47 N 0.05 4.81 -3.64 4.37 6.94 -1.26 -4.82 115.26 121.70 2pqs n ASN 47 Ca 0.18 -2.76 -0.01 0.00 -0.02 0.00 0.00 54.58 51.97 2pqs n ASN 47 Cb 0.73 -0.86 -0.01 0.00 -2.36 0.00 0.00 39.78 37.28 2pqs n ASN 47 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2pqs s ALA 48 N -1.30 -2.04 -0.10 -2.53 0.00 -1.22 -4.65 121.76 109.91 2pqs s ALA 48 Ca 0.22 0.68 -0.17 0.00 0.00 0.00 0.00 51.96 52.69 2pqs s ALA 48 Cb 0.18 0.37 -0.05 0.00 0.00 0.00 0.00 23.12 23.63 2pqs s ALA 48 CO 0.02 -0.97 0.44 -0.46 0.00 0.00 0.00 175.76 174.79 2pqs s TRP 49 N -2.69 3.54 -0.07 0.00 -0.00 -0.80 -4.25 118.94 114.66 2pqs s TRP 49 Ca 0.12 0.87 0.01 0.00 -0.00 0.00 0.00 56.10 57.11 2pqs s TRP 49 Cb 0.02 -2.48 0.02 0.00 -0.00 0.00 0.00 33.47 31.02 2pqs s TRP 49 CO -0.03 0.25 -0.10 0.99 -0.00 0.00 0.00 176.95 178.07 2pqs s THR 50 N 0.33 1.01 0.69 5.86 2.01 -1.21 -0.67 115.64 123.66 2pqs s THR 50 Ca 0.24 -0.37 -0.16 0.00 0.31 0.00 0.00 61.69 61.71 2pqs s THR 50 Cb -0.15 -0.96 0.02 0.00 0.01 0.00 0.00 72.50 71.41 2pqs s THR 50 CO 0.10 0.34 1.22 0.00 -0.69 0.00 0.00 174.62 175.58 2pqs s ALA 51 N 0.97 2.25 0.28 7.40 0.00 -0.49 0.31 121.76 132.47 2pqs s ALA 51 Ca -0.09 0.94 0.01 0.00 0.00 0.00 0.00 51.96 52.81 2pqs s ALA 51 Cb -0.15 -3.47 0.40 0.00 0.00 0.00 0.00 23.12 19.90 2pqs s ALA 51 CO 0.00 -1.68 1.76 0.37 0.00 0.00 0.00 175.76 176.21 2pqs h GLN 52 N 0.05 0.63 -4.63 0.00 4.15 -1.69 -3.27 115.11 110.35 2pqs h GLN 52 Ca -0.49 -0.19 -0.26 0.00 0.77 0.00 0.00 58.65 58.48 2pqs h GLN 52 Cb 1.30 -0.06 -0.19 0.00 0.21 0.00 0.00 27.48 28.74 2pqs h GLN 52 CO 0.51 0.72 -0.72 -0.08 -1.93 0.00 0.00 178.83 177.33 2pqs s THR 53 N -4.79 0.62 -1.17 2.39 -1.32 -1.26 -4.77 115.64 105.34 2pqs s THR 53 Ca -0.08 -1.39 -0.10 0.00 -1.21 0.00 0.00 61.69 58.91 2pqs s THR 53 Cb 0.14 -1.00 0.23 0.00 -1.51 0.00 0.00 72.50 70.36 2pqs s THR 53 CO 0.80 -0.55 1.40 0.59 -2.21 0.00 0.00 174.62 174.65 2pqs n ASN 54 N 0.93 5.51 -4.77 8.08 3.02 -1.26 -4.89 115.26 121.87 2pqs n ASN 54 Ca -0.19 -3.09 -0.25 0.00 -0.03 0.00 0.00 54.58 51.02 2pqs n ASN 54 Cb 0.57 -1.44 -0.06 0.00 -0.61 0.00 0.00 39.78 38.23 2pqs n ASN 54 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2pqs s SER 55 N 1.24 4.49 0.00 6.41 1.04 -1.26 -5.03 113.70 120.59 2pqs s SER 55 Ca 0.36 -1.10 0.28 0.00 0.48 0.00 0.00 55.95 55.98 2pqs s SER 55 Cb -0.02 -0.33 1.16 0.00 0.10 0.00 0.00 66.02 66.94 2pqs s SER 55 CO -0.01 -0.64 1.82 0.00 0.98 0.00 0.00 173.24 175.39 2pqs n ALA 56 N -1.33 2.80 -0.72 5.32 0.00 -1.26 -3.84 120.51 121.48 2pqs n ALA 56 Ca -0.02 -0.28 0.08 0.00 0.00 0.00 0.00 53.44 53.22 2pqs n ALA 56 Cb 0.64 -1.31 0.26 0.00 0.00 0.00 0.00 19.45 19.04 2pqs n ALA 56 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2pqs n SER 57 N -0.95 3.88 -4.84 0.00 3.41 -1.26 -4.89 113.62 108.97 2pqs n SER 57 Ca 0.14 -2.66 -0.30 0.00 -0.26 0.00 0.00 58.87 55.78 2pqs n SER 57 Cb 0.29 -0.47 0.06 0.00 -0.26 0.00 0.00 64.21 63.82 2pqs n SER 57 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2pqs s GLU 58 N -2.20 2.72 -0.03 4.33 0.41 -1.25 -4.96 118.70 117.72 2pqs s GLU 58 Ca 0.39 0.69 -0.29 0.00 -0.41 0.00 0.00 54.97 55.35 2pqs s GLU 58 Cb 0.29 -1.99 0.09 0.00 -1.78 0.00 0.00 34.13 30.74 2pqs s GLU 58 CO 0.13 -1.19 0.78 1.67 -0.49 0.00 0.00 175.26 176.16 2pqs s TRP 59 N -3.19 -0.51 -0.17 1.61 1.48 -1.26 -4.26 118.94 112.64 2pqs s TRP 59 Ca 0.59 0.68 0.01 0.00 -1.06 0.00 0.00 56.10 56.32 2pqs s TRP 59 Cb -0.13 0.47 0.02 0.00 -1.16 0.00 0.00 33.47 32.67 2pqs s TRP 59 CO 0.54 -0.58 -0.19 -1.17 -4.06 0.00 0.00 176.95 171.48 2pqs s LEU 60 N -1.72 2.18 -0.11 -4.66 2.96 -0.86 -1.16 118.68 115.31 2pqs s LEU 60 Ca -0.03 -0.62 -0.02 0.00 -0.22 0.00 0.00 54.13 53.24 2pqs s LEU 60 Cb -0.00 -1.49 -0.03 0.00 0.50 0.00 0.00 46.19 45.17 2pqs s LEU 60 CO -0.00 0.02 -0.03 -1.58 -1.32 0.00 0.00 176.35 173.44 2pqs s GLN 61 N 1.16 3.19 -0.15 1.98 0.74 0.27 -1.14 119.66 125.71 2pqs s GLN 61 Ca 0.02 -0.49 0.01 0.00 0.05 0.00 0.00 55.36 54.94 2pqs s GLN 61 Cb -0.14 -2.78 0.02 0.00 1.10 0.00 0.00 33.01 31.21 2pqs s GLN 61 CO -0.09 0.51 -0.16 0.42 -0.55 0.00 0.00 175.29 175.42 2pqs s ILE 62 N -0.37 1.69 -0.64 -2.34 1.01 0.76 -0.98 121.20 120.32 2pqs s ILE 62 Ca 0.06 -0.72 -0.17 0.00 0.00 0.00 0.00 60.65 59.83 2pqs s ILE 62 Cb -0.12 -1.56 0.14 0.00 0.01 0.00 0.00 42.46 40.92 2pqs s ILE 62 CO 0.02 0.48 0.67 -0.62 0.00 0.00 0.00 174.94 175.49 2pqs s ASP 63 N 1.34 6.33 0.00 3.58 2.15 0.21 -1.01 116.67 129.27 2pqs s ASP 63 Ca 0.03 -1.86 0.00 0.00 0.43 0.00 0.00 52.55 51.15 2pqs s ASP 63 Cb -0.13 -2.26 0.00 0.00 -0.30 0.00 0.00 42.92 40.23 2pqs s ASP 63 CO -0.10 -0.91 0.93 0.18 -0.17 0.00 0.00 175.17 175.10 2pqs n LEU 64 N 5.48 0.00 0.00 -1.34 4.77 0.13 -4.81 117.00 121.23 2pqs n LEU 64 Ca -0.04 0.43 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 2pqs n LEU 64 Cb 0.43 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2pqs n LEU 64 CO 0.51 -0.43 0.00 0.61 -1.33 0.00 0.00 177.39 176.75 2pqs n GLY 65 N -1.43 3.08 3.66 -0.72 0.00 -1.26 -4.94 105.19 103.58 2pqs n GLY 65 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 2pqs n GLY 65 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2pqs s SER 66 N -0.53 -0.20 0.18 1.61 1.04 -1.26 -5.11 113.70 109.43 2pqs s SER 66 Ca 0.00 -0.23 -0.32 0.00 0.48 0.00 0.00 55.95 55.88 2pqs s SER 66 Cb 0.00 0.38 -0.11 0.00 0.10 0.00 0.00 66.02 66.39 2pqs s SER 66 CO 0.00 -0.68 1.76 -1.10 0.98 0.00 0.00 173.24 174.19 2pqs s GLN 67 N -3.04 4.13 0.09 4.02 -1.52 -1.26 -4.22 119.66 117.87 2pqs s GLN 67 Ca 0.11 2.60 0.01 0.00 -1.95 0.00 0.00 55.36 56.12 2pqs s GLN 67 Cb -0.00 -3.26 -0.04 0.00 -0.22 0.00 0.00 33.01 29.48 2pqs s GLN 67 CO -0.02 -0.78 -0.04 0.15 -0.25 0.00 0.00 175.29 174.35 2pqs s LYS 68 N 1.74 0.80 -0.18 2.91 -0.14 0.73 -4.90 119.74 120.70 2pqs s LYS 68 Ca 0.77 -1.33 -0.24 0.00 -1.36 0.00 0.00 55.97 53.81 2pqs s LYS 68 Cb -0.48 -0.03 -0.02 0.00 -1.68 0.00 0.00 37.83 35.62 2pqs s LYS 68 CO 0.34 -0.08 0.78 1.03 -0.76 0.00 0.00 175.35 176.66 2pqs s ARG 69 N -3.89 4.27 -0.26 1.68 3.00 0.19 -1.97 118.95 121.96 2pqs s ARG 69 Ca 0.13 0.92 -0.04 0.00 0.00 0.00 0.00 55.73 56.74 2pqs s ARG 69 Cb 0.06 -3.58 0.02 0.00 0.00 0.00 0.00 34.95 31.45 2pqs s ARG 69 CO -0.05 -0.32 -0.01 0.08 0.00 0.00 0.00 175.30 175.00 2pqs s VAL 70 N 2.15 3.29 -0.14 3.52 1.01 0.59 -1.62 120.40 129.21 2pqs s VAL 70 Ca 0.36 -0.89 0.12 0.00 0.00 0.00 0.00 61.98 61.57 2pqs s VAL 70 Cb -0.16 -2.68 -0.17 0.00 0.00 0.00 0.00 36.38 33.37 2pqs s VAL 70 CO 0.11 0.16 0.03 0.35 0.00 0.00 0.00 175.10 175.76 2pqs n THR 71 N 4.74 0.97 -3.54 3.92 -2.24 -0.40 -2.15 114.28 115.59 2pqs n THR 71 Ca -0.16 -0.58 -0.05 0.00 -2.27 0.00 0.00 64.05 60.99 2pqs n THR 71 Cb 0.47 -0.66 0.00 0.00 -2.10 0.00 0.00 70.33 68.04 2pqs n THR 71 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pqs n GLY 72 N 2.17 2.06 3.39 3.38 0.00 -1.16 -0.84 105.19 114.18 2pqs n GLY 72 Ca -0.24 -1.28 -0.16 0.00 0.00 0.00 0.00 46.02 44.35 2pqs n GLY 72 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2pqs s ILE 73 N -2.61 0.03 -0.02 -0.61 2.07 -0.49 -1.42 121.20 118.16 2pqs s ILE 73 Ca 0.10 -0.23 0.03 0.00 -1.41 0.00 0.00 60.65 59.13 2pqs s ILE 73 Cb -0.01 -0.83 -0.00 0.00 0.13 0.00 0.00 42.46 41.74 2pqs s ILE 73 CO 0.07 -0.13 -0.10 -0.63 -1.91 0.00 0.00 174.94 172.25 2pqs s ILE 74 N -1.37 0.80 0.13 2.00 1.01 -0.30 -0.98 121.20 122.48 2pqs s ILE 74 Ca -0.12 -0.40 0.02 0.00 0.00 0.00 0.00 60.65 60.15 2pqs s ILE 74 Cb -0.02 -0.69 -0.04 0.00 0.01 0.00 0.00 42.46 41.71 2pqs s ILE 74 CO 0.06 0.24 -0.03 0.42 0.00 0.00 0.00 174.94 175.63 2pqs s THR 75 N -0.03 0.64 0.11 2.92 -4.23 -0.56 -1.99 115.64 112.50 2pqs s THR 75 Ca 0.01 -1.95 -0.07 0.00 -1.18 0.00 0.00 61.69 58.50 2pqs s THR 75 Cb -0.06 -1.88 -0.01 0.00 1.34 0.00 0.00 72.50 71.88 2pqs s THR 75 CO 0.00 -0.68 0.16 -1.10 -0.54 0.00 0.00 174.62 172.46 2pqs s GLN 76 N -3.88 0.89 0.00 3.99 -0.21 -0.63 -1.51 119.66 118.31 2pqs s GLN 76 Ca 0.18 -1.11 0.00 0.00 0.02 0.00 0.00 55.36 54.45 2pqs s GLN 76 Cb 0.06 0.32 0.00 0.00 1.00 0.00 0.00 33.01 34.39 2pqs s GLN 76 CO -0.01 -0.28 0.00 0.41 -2.12 0.00 0.00 175.29 173.29 2pqs n GLY 77 N -0.08 1.71 3.58 3.09 0.00 -1.09 -2.09 105.19 110.31 2pqs n GLY 77 Ca -0.12 -1.73 -0.06 0.00 0.00 0.00 0.00 46.02 44.11 2pqs n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pqs s ALA 78 N -3.20 -1.99 -0.01 4.61 0.00 0.38 -4.48 121.76 117.07 2pqs s ALA 78 Ca 0.00 1.51 -0.17 0.00 0.00 0.00 0.00 51.96 53.30 2pqs s ALA 78 Cb 0.00 -0.32 -0.06 0.00 0.00 0.00 0.00 23.12 22.74 2pqs s ALA 78 CO 0.00 -0.50 0.48 0.50 0.00 0.00 0.00 175.76 176.24 2pqs s ARG 79 N -2.08 4.13 -0.55 0.00 3.52 -1.26 -1.27 118.95 121.43 2pqs s ARG 79 Ca 0.06 0.54 0.04 0.00 -0.13 0.00 0.00 55.73 56.23 2pqs s ARG 79 Cb -0.01 -3.28 0.15 0.00 -1.56 0.00 0.00 34.95 30.25 2pqs s ARG 79 CO -0.05 0.53 0.36 0.34 -0.81 0.00 0.00 175.30 175.67 2pqs s ASP 80 N -0.63 3.87 1.70 -2.12 2.15 0.21 -4.96 116.67 116.89 2pqs s ASP 80 Ca 0.26 -3.24 0.00 0.00 0.43 0.00 0.00 52.55 50.00 2pqs s ASP 80 Cb -0.17 -1.28 0.00 0.00 -0.30 0.00 0.00 42.92 41.17 2pqs s ASP 80 CO 0.15 -0.17 0.00 2.22 -0.17 0.00 0.00 175.17 177.19 2pqs n PHE 81 N 2.75 0.00 1.15 -5.34 -1.74 -1.26 -2.15 117.46 110.87 2pqs n PHE 81 Ca 0.16 0.00 0.01 0.00 -0.56 0.00 0.00 57.45 57.06 2pqs n PHE 81 Cb 0.36 0.00 0.05 0.00 1.52 0.00 0.00 39.48 41.41 2pqs n PHE 81 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 2pqs n GLY 82 N 0.00 0.73 2.95 4.97 0.00 -1.26 -4.83 105.19 107.75 2pqs n GLY 82 Ca 0.00 -0.12 -0.15 0.00 0.00 0.00 0.00 46.02 45.75 2pqs n GLY 82 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2pqs s HIS 83 N -1.51 0.40 0.01 1.61 4.02 -0.91 -5.14 115.29 113.76 2pqs s HIS 83 Ca 0.07 -0.11 -0.13 0.00 1.02 0.00 0.00 55.06 55.90 2pqs s HIS 83 Cb 0.05 -0.25 -0.06 0.00 -1.02 0.00 0.00 32.58 31.30 2pqs s HIS 83 CO 0.03 -0.02 0.39 0.96 1.02 0.00 0.00 174.74 177.13 2pqs s ILE 84 N -0.23 5.07 0.02 0.60 -4.36 -1.26 0.63 121.20 121.67 2pqs s ILE 84 Ca 0.00 0.74 0.02 0.00 -0.26 0.00 0.00 60.65 61.15 2pqs s ILE 84 Cb -0.02 -3.68 -0.01 0.00 1.25 0.00 0.00 42.46 39.99 2pqs s ILE 84 CO -0.00 0.54 -0.07 -1.10 0.24 0.00 0.00 174.94 174.55 2pqs s GLN 85 N -1.21 0.49 -0.11 0.37 -0.21 -0.40 -4.66 119.66 113.93 2pqs s GLN 85 Ca 0.25 -0.45 -0.32 0.00 0.02 0.00 0.00 55.36 54.85 2pqs s GLN 85 Cb -0.16 -0.38 0.12 0.00 1.00 0.00 0.00 33.01 33.60 2pqs s GLN 85 CO 0.13 0.09 1.09 1.52 -2.12 0.00 0.00 175.29 176.01 2pqs s TYR 86 N -0.69 -0.20 -0.21 0.91 -0.85 -1.16 -0.47 117.35 114.68 2pqs s TYR 86 Ca -0.03 0.11 -0.18 0.00 -0.52 0.00 0.00 57.07 56.45 2pqs s TYR 86 Cb -0.06 0.53 -0.03 0.00 0.38 0.00 0.00 41.96 42.78 2pqs s TYR 86 CO 0.00 -0.34 0.51 0.08 -1.52 0.00 0.00 175.55 174.28 2pqs s VAL 87 N -2.69 5.11 0.03 -3.49 1.01 -1.20 -1.14 120.40 118.03 2pqs s VAL 87 Ca 0.08 0.92 0.05 0.00 0.00 0.00 0.00 61.98 63.03 2pqs s VAL 87 Cb -0.01 -3.83 -0.24 0.00 0.00 0.00 0.00 36.38 32.30 2pqs s VAL 87 CO -0.06 0.17 0.94 0.00 0.00 0.00 0.00 175.10 176.15 2pqs h ALA 88 N 7.55 0.44 -2.65 5.51 0.00 0.35 -1.64 119.26 128.82 2pqs h ALA 88 Ca -0.33 -1.15 -0.13 0.00 0.00 0.00 0.00 54.91 53.31 2pqs h ALA 88 Cb 1.15 0.19 -0.19 0.00 0.00 0.00 0.00 17.79 18.95 2pqs h ALA 88 CO 0.73 1.31 -0.46 0.00 0.00 0.00 0.00 179.25 180.83 2pqs s ALA 89 N -2.64 -0.31 0.11 0.00 0.00 -0.73 0.56 121.76 118.76 2pqs s ALA 89 Ca -0.04 -0.24 -0.25 0.00 0.00 0.00 0.00 51.96 51.42 2pqs s ALA 89 Cb 0.08 0.19 0.08 0.00 0.00 0.00 0.00 23.12 23.47 2pqs s ALA 89 CO 0.83 -0.28 0.78 1.52 0.00 0.00 0.00 175.76 178.61 2pqs s TYR 90 N -1.99 -0.37 0.32 0.00 1.13 -1.03 -0.03 117.35 115.40 2pqs s TYR 90 Ca -0.10 0.14 0.08 0.00 -1.41 0.00 0.00 57.07 55.79 2pqs s TYR 90 Cb -0.04 0.58 -0.04 0.00 -1.10 0.00 0.00 41.96 41.36 2pqs s TYR 90 CO -0.01 -0.77 0.17 1.03 -2.51 0.00 0.00 175.55 173.46 2pqs s ARG 91 N -3.46 2.51 -0.10 -3.49 0.52 0.34 0.00 118.95 115.28 2pqs s ARG 91 Ca 0.05 -1.42 0.02 0.00 -0.52 0.00 0.00 55.73 53.87 2pqs s ARG 91 Cb -0.02 -2.29 0.01 0.00 0.52 0.00 0.00 34.95 33.17 2pqs s ARG 91 CO -0.07 0.16 -0.16 0.08 0.02 0.00 0.00 175.30 175.33 2pqs s VAL 92 N -2.35 1.49 0.08 3.52 1.01 -1.26 -0.71 120.40 122.17 2pqs s VAL 92 Ca 0.37 -0.66 0.09 0.00 0.00 0.00 0.00 61.98 61.79 2pqs s VAL 92 Cb -0.04 -1.35 -0.03 0.00 0.00 0.00 0.00 36.38 34.96 2pqs s VAL 92 CO 0.24 0.44 -0.23 0.00 0.00 0.00 0.00 175.10 175.54 2pqs s ALA 93 N 0.79 2.43 0.00 5.51 0.00 0.28 0.54 121.76 131.32 2pqs s ALA 93 Ca -0.11 -1.32 -0.15 0.00 0.00 0.00 0.00 51.96 50.38 2pqs s ALA 93 Cb -0.16 -0.54 0.02 0.00 0.00 0.00 0.00 23.12 22.45 2pqs s ALA 93 CO 0.02 0.55 0.31 1.52 0.00 0.00 0.00 175.76 178.16 2pqs s TYR 94 N -0.96 -0.16 0.19 0.00 -0.85 -0.75 0.60 117.35 115.42 2pqs s TYR 94 Ca 0.14 0.18 -0.07 0.00 -0.52 0.00 0.00 57.07 56.80 2pqs s TYR 94 Cb -0.10 0.10 0.03 0.00 0.38 0.00 0.00 41.96 42.37 2pqs s TYR 94 CO 0.05 -0.43 0.38 0.41 -1.52 0.00 0.00 175.55 174.44 2pqs n GLY 95 N 1.05 1.54 0.09 5.49 0.00 -0.56 -0.50 105.19 112.29 2pqs n GLY 95 Ca -0.21 -1.14 -0.11 0.00 0.00 0.00 0.00 46.02 44.56 2pqs n GLY 95 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2pqs n ASP 96 N -1.28 2.19 0.01 1.61 8.00 -1.26 -2.11 116.55 123.70 2pqs n ASP 96 Ca -0.04 -0.07 0.04 0.00 0.71 0.00 0.00 54.79 55.43 2pqs n ASP 96 Cb 0.29 0.05 -0.10 0.00 -0.02 0.00 0.00 41.12 41.33 2pqs n ASP 96 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2pqs n ASP 97 N -2.90 0.48 0.00 -2.24 5.68 -1.26 -4.61 116.55 111.70 2pqs n ASP 97 Ca -0.31 0.20 0.00 0.00 -0.50 0.00 0.00 54.79 54.18 2pqs n ASP 97 Cb 0.89 0.88 0.00 0.00 -1.14 0.00 0.00 41.12 41.75 2pqs n ASP 97 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2pqs n GLY 98 N 1.37 0.82 0.00 6.12 0.00 -1.26 -4.89 105.19 107.34 2pqs n GLY 98 Ca -0.10 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.41 2pqs n GLY 98 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2pqs n VAL 99 N -2.48 0.00 -4.11 1.61 3.14 -1.26 -5.04 118.33 110.18 2pqs n VAL 99 Ca 0.00 0.00 -0.34 0.00 -2.96 0.00 0.00 64.34 61.04 2pqs n VAL 99 Cb 0.06 -0.14 -0.10 0.00 -1.06 0.00 0.00 33.84 32.60 2pqs n VAL 99 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 2pqs s THR 100 N -1.16 4.56 0.10 1.55 2.01 -1.26 -5.10 115.64 116.33 2pqs s THR 100 Ca 0.00 -0.12 0.07 0.00 0.31 0.00 0.00 61.69 61.95 2pqs s THR 100 Cb 0.00 -3.04 -0.03 0.00 0.01 0.00 0.00 72.50 69.44 2pqs s THR 100 CO 0.00 0.48 -0.18 0.26 -0.69 0.00 0.00 174.62 174.49 2pqs s TRP 101 N 0.30 1.59 -0.23 4.92 0.52 -1.26 -4.26 118.94 120.52 2pqs s TRP 101 Ca 0.02 -0.45 0.01 0.00 0.02 0.00 0.00 56.10 55.70 2pqs s TRP 101 Cb -0.13 -0.86 0.04 0.00 -1.15 0.00 0.00 33.47 31.37 2pqs s TRP 101 CO 0.01 0.17 -0.13 0.99 0.02 0.00 0.00 176.95 178.00 2pqs s THR 102 N -1.35 2.27 0.02 2.01 2.01 0.34 -4.91 115.64 116.03 2pqs s THR 102 Ca 0.05 -1.25 -0.30 0.00 0.31 0.00 0.00 61.69 60.49 2pqs s THR 102 Cb -0.09 -2.15 -0.06 0.00 0.01 0.00 0.00 72.50 70.20 2pqs s THR 102 CO 0.04 0.23 1.47 -1.61 -0.69 0.00 0.00 174.62 174.06 2pqs s GLU 103 N 1.22 4.26 0.36 4.92 0.41 -1.26 -1.81 118.70 126.79 2pqs s GLU 103 Ca -0.02 2.08 -0.28 0.00 -0.41 0.00 0.00 54.97 56.34 2pqs s GLU 103 Cb -0.17 -3.57 -0.12 0.00 -1.78 0.00 0.00 34.13 28.50 2pqs s GLU 103 CO -0.08 -0.62 1.41 0.98 -0.49 0.00 0.00 175.26 176.46 2pqs n TYR 104 N 5.39 2.68 -3.87 1.61 9.36 0.19 -4.89 117.16 127.63 2pqs n TYR 104 Ca 0.14 0.49 -0.12 0.00 3.32 0.00 0.00 57.90 61.73 2pqs n TYR 104 Cb 0.43 -2.48 -0.13 0.00 -0.63 0.00 0.00 39.34 36.52 2pqs n TYR 104 CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 2pqs s LYS 105 N -1.95 0.07 0.71 2.98 2.20 -1.26 -1.59 119.74 120.89 2pqs s LYS 105 Ca 0.55 -0.00 -0.13 0.00 -0.36 0.00 0.00 55.97 56.02 2pqs s LYS 105 Cb -0.52 0.03 0.02 0.00 -1.51 0.00 0.00 37.83 35.85 2pqs s LYS 105 CO 0.63 -0.01 1.09 -0.51 -0.36 0.00 0.00 175.35 176.19 2pqs s ASP 106 N -0.11 4.91 0.62 1.43 1.01 -1.26 -4.86 116.67 118.41 2pqs s ASP 106 Ca -0.01 1.88 0.25 0.00 0.71 0.00 0.00 52.55 55.38 2pqs s ASP 106 Cb -0.01 -2.53 1.21 0.00 1.01 0.00 0.00 42.92 42.59 2pqs s ASP 106 CO 0.00 -1.76 1.65 1.55 0.21 0.00 0.00 175.17 176.82 2pqs h PRO 107 N -0.51 0.00 0.00 8.23 0.13 -1.96 -3.22 132.00 134.68 2pqs h PRO 107 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2pqs h PRO 107 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2pqs h PRO 107 CO 0.53 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.71 2pqs n GLY 108 N -1.50 -1.59 0.00 1.56 0.00 -1.26 -5.06 105.19 97.35 2pqs n GLY 108 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2pqs n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pqs n ALA 109 N -3.00 0.00 -0.60 4.61 0.00 -1.22 -5.11 120.51 115.19 2pqs n ALA 109 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2pqs n ALA 109 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2pqs n ALA 109 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2pqs n SER 110 N 1.27 0.00 -4.94 0.00 3.41 -1.26 -4.84 113.62 107.27 2pqs n SER 110 Ca 0.00 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.34 2pqs n SER 110 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 2pqs n SER 110 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2pqs s GLU 111 N 0.00 3.46 0.48 4.33 0.41 -1.26 -5.08 118.70 121.04 2pqs s GLU 111 Ca 0.00 -0.51 -0.23 0.00 -0.41 0.00 0.00 54.97 53.82 2pqs s GLU 111 Cb 0.00 -2.95 -0.07 0.00 -1.78 0.00 0.00 34.13 29.34 2pqs s GLU 111 CO 0.00 0.51 1.22 -1.54 -0.49 0.00 0.00 175.26 174.95 2pqs s SER 112 N -3.11 5.94 0.18 -0.19 1.04 -1.26 -4.61 113.70 111.69 2pqs s SER 112 Ca 0.35 2.43 -0.31 0.00 0.48 0.00 0.00 55.95 58.91 2pqs s SER 112 Cb -0.11 -2.61 -0.09 0.00 0.10 0.00 0.00 66.02 63.30 2pqs s SER 112 CO 0.28 -1.08 1.44 -0.75 0.98 0.00 0.00 173.24 174.12 2pqs s LYS 113 N -2.74 4.29 -0.46 4.02 2.47 -0.62 -4.98 119.74 121.71 2pqs s LYS 113 Ca 0.65 2.21 -0.09 0.00 -1.56 0.00 0.00 55.97 57.18 2pqs s LYS 113 Cb -0.32 -3.18 0.11 0.00 -1.46 0.00 0.00 37.83 32.98 2pqs s LYS 113 CO 0.38 -0.46 0.33 0.42 0.16 0.00 0.00 175.35 176.18 2pqs s ILE 114 N 0.69 4.26 0.41 5.43 1.01 -1.26 -4.40 121.20 127.33 2pqs s ILE 114 Ca 0.64 -1.66 -0.24 0.00 0.00 0.00 0.00 60.65 59.38 2pqs s ILE 114 Cb -0.40 -3.75 -0.09 0.00 0.01 0.00 0.00 42.46 38.24 2pqs s ILE 114 CO 0.35 -0.70 1.10 -0.36 0.00 0.00 0.00 174.94 175.33 2pqs s PHE 115 N 1.39 3.16 -0.01 3.97 0.40 0.10 -4.83 117.98 122.16 2pqs s PHE 115 Ca 0.05 1.61 -0.30 0.00 -0.60 0.00 0.00 56.93 57.68 2pqs s PHE 115 Cb -0.25 -3.24 -0.03 0.00 0.51 0.00 0.00 43.02 40.00 2pqs s PHE 115 CO 0.00 -0.95 1.08 -1.25 0.70 0.00 0.00 175.22 174.80 2pqs s PRO 116 N -2.46 4.47 0.00 0.24 0.04 -1.26 -2.46 135.00 133.57 2pqs s PRO 116 Ca 0.58 1.55 0.00 0.00 0.04 0.00 0.00 61.00 63.17 2pqs s PRO 116 Cb -0.25 -3.46 0.00 0.00 0.04 0.00 0.00 34.50 30.83 2pqs s PRO 116 CO 0.32 -0.21 0.00 0.41 0.04 0.00 0.00 177.00 177.56 2pqs n GLY 117 N 3.09 1.59 3.94 0.56 0.00 0.19 -4.94 105.19 109.63 2pqs n GLY 117 Ca 0.08 -1.24 -0.24 0.00 0.00 0.00 0.00 46.02 44.62 2pqs n GLY 117 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2pqs s ASN 118 N -0.94 5.28 0.00 1.61 0.01 -0.62 -4.88 114.94 115.40 2pqs s ASN 118 Ca 0.00 0.37 0.00 0.00 -0.71 0.00 0.00 52.86 52.52 2pqs s ASN 118 Cb 0.00 -1.26 0.00 0.00 0.41 0.00 0.00 41.25 40.40 2pqs s ASN 118 CO 0.00 -1.21 0.29 1.15 -1.51 0.00 0.00 177.10 175.82 2pqs n MET 119 N -2.56 -0.00 -0.78 -0.60 0.00 -1.26 -4.43 117.12 107.48 2pqs n MET 119 Ca 0.06 -0.33 0.00 0.00 0.00 0.00 0.00 57.70 57.43 2pqs n MET 119 Cb 0.59 -0.67 0.00 0.00 0.00 0.00 0.00 33.22 33.14 2pqs n MET 119 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 2pqs n ASP 120 N -0.04 0.00 0.02 3.17 5.68 -1.26 -5.08 116.55 119.04 2pqs n ASP 120 Ca 0.00 -0.71 -0.02 0.00 -0.50 0.00 0.00 54.79 53.55 2pqs n ASP 120 Cb 0.23 0.00 -0.09 0.00 -1.14 0.00 0.00 41.12 40.11 2pqs n ASP 120 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 2pqs h ASN 121 N 0.00 0.00 0.00 -1.12 -1.07 -1.88 -3.31 115.58 108.19 2pqs h ASN 121 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 56.30 56.36 2pqs h ASN 121 Cb 0.00 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 36.25 2pqs h ASN 121 CO 0.00 0.69 -1.09 0.59 0.07 0.00 0.00 177.43 177.68 2pqs n ASN 122 N -2.94 4.57 -4.77 6.14 3.02 -1.26 -2.65 115.26 117.36 2pqs n ASN 122 Ca -0.11 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.04 2pqs n ASN 122 Cb 0.89 0.95 -0.00 0.00 -0.61 0.00 0.00 39.78 41.01 2pqs n ASN 122 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2pqs s SER 123 N -2.47 6.34 0.21 6.41 0.01 -1.26 -4.90 113.70 118.04 2pqs s SER 123 Ca -0.01 2.91 -0.26 0.00 1.31 0.00 0.00 55.95 59.90 2pqs s SER 123 Cb 0.01 -2.66 -0.09 0.00 0.21 0.00 0.00 66.02 63.50 2pqs s SER 123 CO 0.08 -0.86 0.84 -1.00 0.41 0.00 0.00 173.24 172.71 2pqs s HIS 124 N -1.16 3.89 -0.22 2.43 3.76 -1.26 -4.48 115.29 118.25 2pqs s HIS 124 Ca 0.54 1.72 0.01 0.00 -0.15 0.00 0.00 55.06 57.18 2pqs s HIS 124 Cb -0.44 -2.84 0.05 0.00 1.11 0.00 0.00 32.58 30.46 2pqs s HIS 124 CO 0.58 0.45 -0.10 0.21 -0.85 0.00 0.00 174.74 175.03 2pqs s LYS 125 N -1.32 2.06 -0.16 1.40 2.47 -0.57 -4.94 119.74 118.68 2pqs s LYS 125 Ca 0.39 -0.96 -0.05 0.00 -1.56 0.00 0.00 55.97 53.80 2pqs s LYS 125 Cb -0.23 -2.54 -0.03 0.00 -1.46 0.00 0.00 37.83 33.56 2pqs s LYS 125 CO 0.27 -0.47 -0.01 0.21 0.16 0.00 0.00 175.35 175.52 2pqs s LYS 126 N 1.33 3.71 -0.07 4.03 2.20 -1.26 -1.49 119.74 128.19 2pqs s LYS 126 Ca -0.03 -0.46 0.04 0.00 -0.36 0.00 0.00 55.97 55.15 2pqs s LYS 126 Cb -0.17 -2.99 0.00 0.00 -1.51 0.00 0.00 37.83 33.16 2pqs s LYS 126 CO -0.08 0.29 -0.19 -0.80 -0.36 0.00 0.00 175.35 174.21 2pqs s ASN 127 N 0.27 2.44 -0.29 1.43 0.01 -0.16 -5.00 114.94 113.65 2pqs s ASN 127 Ca -0.01 -0.42 -0.07 0.00 -0.71 0.00 0.00 52.86 51.65 2pqs s ASN 127 Cb -0.13 -1.00 0.00 0.00 0.41 0.00 0.00 41.25 40.53 2pqs s ASN 127 CO 0.02 0.12 0.08 -0.63 -1.51 0.00 0.00 177.10 175.18 2pqs s ILE 128 N 0.35 4.00 0.26 0.60 -1.09 -1.26 -1.39 121.20 122.67 2pqs s ILE 128 Ca -0.13 -0.62 -0.31 0.00 -2.23 0.00 0.00 60.65 57.36 2pqs s ILE 128 Cb -0.16 -3.03 -0.13 0.00 -1.58 0.00 0.00 42.46 37.57 2pqs s ILE 128 CO 0.05 0.12 1.50 0.49 -1.23 0.00 0.00 174.94 175.88 2pqs n PHE 129 N 4.87 2.48 -0.18 3.97 0.99 -0.02 -4.89 117.46 124.67 2pqs n PHE 129 Ca -0.15 0.34 -0.07 0.00 -0.00 0.00 0.00 57.45 57.57 2pqs n PHE 129 Cb 0.49 -2.53 0.02 0.00 -1.00 0.00 0.00 39.48 36.46 2pqs n PHE 129 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.76 177.69 2pqs h GLU 130 N 4.58 0.74 -4.68 -1.08 5.08 -1.96 -3.36 114.58 113.90 2pqs h GLU 130 Ca -0.46 -0.09 -0.66 0.00 -1.00 0.00 0.00 59.36 57.15 2pqs h GLU 130 Cb 1.25 -0.14 -0.39 0.00 0.50 0.00 0.00 28.75 29.97 2pqs h GLU 130 CO 0.78 0.58 -0.71 0.99 -1.00 0.00 0.00 179.01 179.66 2pqs s THR 131 N -5.83 2.38 0.96 1.13 2.01 -1.26 -5.00 115.64 110.02 2pqs s THR 131 Ca -0.13 -2.27 -0.11 0.00 0.31 0.00 0.00 61.69 59.49 2pqs s THR 131 Cb 0.12 -2.72 0.17 0.00 0.01 0.00 0.00 72.50 70.08 2pqs s THR 131 CO 0.76 -0.57 1.12 -2.16 -0.69 0.00 0.00 174.62 173.08 2pqs s PRO 132 N 0.94 0.70 0.20 4.92 0.04 -1.26 -5.04 135.00 135.51 2pqs s PRO 132 Ca 0.09 1.39 -0.02 0.00 0.04 0.00 0.00 61.00 62.50 2pqs s PRO 132 Cb -0.19 -1.70 -0.04 0.00 0.04 0.00 0.00 34.50 32.61 2pqs s PRO 132 CO -0.07 -2.80 0.17 -0.59 0.04 0.00 0.00 177.00 173.75 2pqs s PHE 133 N -2.63 1.07 -0.07 0.56 -0.12 -0.91 -5.00 117.98 110.88 2pqs s PHE 133 Ca 0.67 -1.31 0.05 0.00 -0.05 0.00 0.00 56.93 56.30 2pqs s PHE 133 Cb -0.23 -0.48 -0.01 0.00 -0.63 0.00 0.00 43.02 41.68 2pqs s PHE 133 CO 0.59 -0.67 -0.24 -1.14 -0.05 0.00 0.00 175.22 173.71 2pqs s GLN 134 N -4.14 2.62 0.19 1.99 0.74 -1.26 -0.30 119.66 119.50 2pqs s GLN 134 Ca 0.37 -0.87 -0.22 0.00 0.05 0.00 0.00 55.36 54.68 2pqs s GLN 134 Cb 0.06 -2.15 0.07 0.00 1.10 0.00 0.00 33.01 32.10 2pqs s GLN 134 CO 0.11 0.31 1.00 0.00 -0.55 0.00 0.00 175.29 176.17 2pqs s ALA 135 N -0.01 -1.54 -0.05 1.58 0.00 -0.83 -4.91 121.76 116.00 2pqs s ALA 135 Ca -0.08 -0.23 0.03 0.00 0.00 0.00 0.00 51.96 51.68 2pqs s ALA 135 Cb -0.15 0.71 -0.05 0.00 0.00 0.00 0.00 23.12 23.64 2pqs s ALA 135 CO 0.05 -1.05 -0.01 -2.13 0.00 0.00 0.00 175.76 172.61 2pqs n ARG 136 N -0.62 1.87 -4.11 0.00 0.63 -0.95 -0.19 116.66 113.29 2pqs n ARG 136 Ca -0.04 0.01 -0.35 0.00 -0.92 0.00 0.00 57.85 56.55 2pqs n ARG 136 Cb 0.60 -1.12 -0.13 0.00 0.45 0.00 0.00 32.46 32.26 2pqs n ARG 136 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 2pqs s PHE 137 N -2.12 2.98 -0.06 -0.14 0.40 -0.90 0.18 117.98 118.32 2pqs s PHE 137 Ca -0.05 -0.63 0.05 0.00 -0.60 0.00 0.00 56.93 55.70 2pqs s PHE 137 Cb 0.02 -2.06 -0.01 0.00 0.51 0.00 0.00 43.02 41.48 2pqs s PHE 137 CO 0.17 -0.33 -0.22 0.08 0.70 0.00 0.00 175.22 175.62 2pqs s VAL 138 N 1.06 1.82 -0.02 -0.44 1.01 -0.18 -1.50 120.40 122.15 2pqs s VAL 138 Ca 0.01 -0.92 0.07 0.00 0.00 0.00 0.00 61.98 61.14 2pqs s VAL 138 Cb -0.15 -1.56 -0.02 0.00 0.00 0.00 0.00 36.38 34.66 2pqs s VAL 138 CO 0.01 0.51 -0.22 -0.13 0.00 0.00 0.00 175.10 175.26 2pqs s ARG 139 N 0.03 1.92 -0.20 2.72 0.52 0.20 -0.17 118.95 123.97 2pqs s ARG 139 Ca -0.07 -0.81 -0.06 0.00 -0.52 0.00 0.00 55.73 54.27 2pqs s ARG 139 Cb -0.14 -1.80 -0.03 0.00 0.52 0.00 0.00 34.95 33.49 2pqs s ARG 139 CO 0.04 0.46 0.04 0.42 0.02 0.00 0.00 175.30 176.28 2pqs s ILE 140 N -0.44 4.42 -0.44 1.52 1.01 -0.29 -0.56 121.20 126.42 2pqs s ILE 140 Ca 0.06 -0.16 0.01 0.00 0.00 0.00 0.00 60.65 60.56 2pqs s ILE 140 Cb -0.10 -3.00 0.12 0.00 0.01 0.00 0.00 42.46 39.49 2pqs s ILE 140 CO -0.00 0.43 0.20 -1.10 0.00 0.00 0.00 174.94 174.47 2pqs s GLN 141 N 0.75 1.91 0.20 2.79 -0.21 0.11 -2.03 119.66 123.18 2pqs s GLN 141 Ca 0.02 -2.09 -0.32 0.00 0.02 0.00 0.00 55.36 52.98 2pqs s GLN 141 Cb -0.14 -3.43 -0.12 0.00 1.00 0.00 0.00 33.01 30.31 2pqs s GLN 141 CO 0.02 -1.05 1.70 -0.35 -2.12 0.00 0.00 175.29 173.49 2pqs n PRO 142 N 4.04 2.67 -0.11 2.91 -0.04 -1.26 -0.50 135.00 142.71 2pqs n PRO 142 Ca 0.03 0.96 -0.20 0.00 -0.04 0.00 0.00 63.50 64.25 2pqs n PRO 142 Cb 0.39 -2.80 -0.09 0.00 -0.04 0.00 0.00 33.50 30.96 2pqs n PRO 142 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2pqs n VAL 143 N 3.89 1.27 -4.08 0.52 0.31 0.96 -4.81 118.33 116.39 2pqs n VAL 143 Ca 0.16 -0.41 -0.14 0.00 -0.01 0.00 0.00 64.34 63.95 2pqs n VAL 143 Cb 0.34 -1.52 -0.13 0.00 -0.91 0.00 0.00 33.84 31.62 2pqs n VAL 143 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2pqs s ALA 144 N -2.43 0.45 0.14 3.52 0.00 -1.04 -4.94 121.76 117.47 2pqs s ALA 144 Ca -0.31 -0.50 -0.07 0.00 0.00 0.00 0.00 51.96 51.08 2pqs s ALA 144 Cb 0.10 -0.01 -0.02 0.00 0.00 0.00 0.00 23.12 23.19 2pqs s ALA 144 CO 0.46 0.02 0.20 1.67 0.00 0.00 0.00 175.76 178.11 2pqs s TRP 145 N -0.83 0.49 -0.33 0.00 -2.14 -1.26 0.94 118.94 115.81 2pqs s TRP 145 Ca -0.05 -0.87 -0.08 0.00 2.66 0.00 0.00 56.10 57.76 2pqs s TRP 145 Cb -0.06 -0.18 0.02 0.00 -3.10 0.00 0.00 33.47 30.15 2pqs s TRP 145 CO 0.00 -0.64 0.12 -1.58 -2.66 0.00 0.00 176.95 172.19 2pqs s HIS 146 N -3.97 3.21 0.00 1.66 5.65 -0.29 -4.81 115.29 116.73 2pqs s HIS 146 Ca 0.17 -1.14 0.00 0.00 0.25 0.00 0.00 55.06 54.34 2pqs s HIS 146 Cb 0.05 -2.30 0.00 0.00 -1.18 0.00 0.00 32.58 29.14 2pqs s HIS 146 CO -0.01 -0.65 0.00 0.09 -0.65 0.00 0.00 174.74 173.52 2pqs n ASN 147 N 4.87 0.00 -3.75 9.88 3.02 -1.26 -2.99 115.26 125.03 2pqs n ASN 147 Ca -0.13 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.30 2pqs n ASN 147 Cb 0.46 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.56 2pqs n ASN 147 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2pqs s ARG 148 N 0.00 0.79 -0.55 3.52 0.52 -1.26 -5.04 118.95 116.92 2pqs s ARG 148 Ca 0.00 -0.43 -0.28 0.00 -0.52 0.00 0.00 55.73 54.51 2pqs s ARG 148 Cb 0.00 0.34 0.01 0.00 0.52 0.00 0.00 34.95 35.83 2pqs s ARG 148 CO 0.00 -0.25 1.44 0.42 0.02 0.00 0.00 175.30 176.93 2pqs s ILE 149 N -2.28 3.77 -0.02 1.52 1.01 -1.26 -3.25 121.20 120.68 2pqs s ILE 149 Ca -0.07 0.67 0.01 0.00 0.00 0.00 0.00 60.65 61.26 2pqs s ILE 149 Cb -0.02 -4.39 0.01 0.00 0.01 0.00 0.00 42.46 38.07 2pqs s ILE 149 CO -0.02 -1.12 -0.03 -0.89 0.00 0.00 0.00 174.94 172.88 2pqs s THR 150 N 6.13 0.35 0.04 2.92 2.01 -1.26 -1.40 115.64 124.44 2pqs s THR 150 Ca 0.54 -0.10 -0.03 0.00 0.31 0.00 0.00 61.69 62.41 2pqs s THR 150 Cb -0.11 -0.36 -0.02 0.00 0.01 0.00 0.00 72.50 72.02 2pqs s THR 150 CO 0.25 0.14 0.04 -0.76 -0.69 0.00 0.00 174.62 173.61 2pqs s LEU 151 N 0.46 2.07 -0.05 4.42 1.43 0.15 -3.22 118.68 123.94 2pqs s LEU 151 Ca -0.05 -0.65 -0.02 0.00 -1.03 0.00 0.00 54.13 52.38 2pqs s LEU 151 Cb -0.08 0.39 0.04 0.00 0.03 0.00 0.00 46.19 46.57 2pqs s LEU 151 CO -0.01 -0.49 0.10 -0.13 0.23 0.00 0.00 176.35 176.06 2pqs s ARG 152 N -2.71 0.00 0.28 1.70 0.52 -0.89 -1.91 118.95 115.94 2pqs s ARG 152 Ca -0.04 0.38 0.07 0.00 -0.52 0.00 0.00 55.73 55.62 2pqs s ARG 152 Cb -0.01 -0.30 -0.06 0.00 0.52 0.00 0.00 34.95 35.11 2pqs s ARG 152 CO -0.05 -0.24 -0.07 0.08 0.02 0.00 0.00 175.30 175.04 2pqs s VAL 153 N 1.67 1.68 -0.19 3.52 1.01 0.97 -1.61 120.40 127.45 2pqs s VAL 153 Ca -0.03 -2.14 -0.09 0.00 0.00 0.00 0.00 61.98 59.72 2pqs s VAL 153 Cb -0.12 -2.43 0.07 0.00 0.00 0.00 0.00 36.38 33.90 2pqs s VAL 153 CO -0.04 -0.32 0.44 -0.70 0.00 0.00 0.00 175.10 174.48 2pqs s GLU 154 N -3.71 0.41 -0.08 2.72 2.56 -0.84 -0.05 118.70 119.69 2pqs s GLU 154 Ca 0.29 0.90 -0.04 0.00 0.00 0.00 0.00 54.97 56.12 2pqs s GLU 154 Cb 0.03 0.10 -0.04 0.00 2.00 0.00 0.00 34.13 36.22 2pqs s GLU 154 CO 0.12 -0.18 0.10 -0.51 -0.56 0.00 0.00 175.26 174.23 2pqs s LEU 155 N 1.76 4.12 0.07 2.70 1.43 -1.26 -1.15 118.68 126.35 2pqs s LEU 155 Ca -0.07 0.33 0.05 0.00 -1.03 0.00 0.00 54.13 53.40 2pqs s LEU 155 Cb -0.09 -2.11 -0.04 0.00 0.03 0.00 0.00 46.19 43.98 2pqs s LEU 155 CO -0.14 0.36 -0.05 -0.76 0.23 0.00 0.00 176.35 176.00 2pqs s LEU 156 N -1.23 3.26 0.00 1.79 1.43 -0.51 -0.35 118.68 123.07 2pqs s LEU 156 Ca 0.17 -0.24 0.00 0.00 -1.03 0.00 0.00 54.13 53.04 2pqs s LEU 156 Cb -0.12 -1.98 0.00 0.00 0.03 0.00 0.00 46.19 44.12 2pqs s LEU 156 CO 0.07 0.20 0.00 0.61 0.23 0.00 0.00 176.35 177.46 2pqs n GLY 157 N 0.84 -0.51 0.00 -3.19 0.00 0.11 -1.28 105.19 101.17 2pqs n GLY 157 Ca -0.13 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.14 2pqs n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32