#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 -4.32 2.20 -3.87 0.00 -2.24 -1.22 -2.97 114.28 101.86 2pqs n THR 2 Ca -0.02 -4.20 -0.37 0.00 -2.27 0.00 0.00 64.05 57.19 2pqs n THR 2 Cb 0.56 -0.74 -0.06 0.00 -2.10 0.00 0.00 70.33 67.99 2pqs n THR 2 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2pqs s GLU 3 N -3.57 3.45 0.13 -0.78 2.02 -1.01 -4.68 118.70 114.27 2pqs s GLU 3 Ca 0.45 -0.12 -0.32 0.00 0.02 0.00 0.00 54.97 54.99 2pqs s GLU 3 Cb 0.40 -3.19 -0.12 0.00 0.10 0.00 0.00 34.13 31.32 2pqs s GLU 3 CO -0.04 0.78 1.75 -0.35 0.02 0.00 0.00 175.26 177.41 2pqs n PRO 4 N 1.98 2.55 -0.01 0.39 -0.04 -1.26 -0.95 135.00 137.66 2pqs n PRO 4 Ca -0.20 0.92 0.11 0.00 -0.04 0.00 0.00 63.50 64.30 2pqs n PRO 4 Cb 0.55 -2.77 0.61 0.00 -0.04 0.00 0.00 33.50 31.85 2pqs n PRO 4 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2pqs n LEU 5 N 4.77 0.42 0.00 1.53 4.77 0.13 -4.90 117.00 123.73 2pqs n LEU 5 Ca 0.18 -0.16 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 2pqs n LEU 5 Cb 0.34 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 2pqs n LEU 5 CO 0.66 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.41 2pqs n GLY 6 N 0.93 1.47 0.09 -0.72 0.00 -1.26 -4.71 105.19 100.99 2pqs n GLY 6 Ca 0.17 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.08 -0.67 0.99 3.38 -1.90 -0.96 115.31 116.07 2pqs h LEU 7 Ca 0.00 -0.33 0.01 0.00 0.09 0.00 0.00 57.88 57.65 2pqs h LEU 7 Cb 0.00 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 2pqs h LEU 7 CO 0.00 0.55 0.44 0.50 0.09 0.00 0.00 178.44 180.02 2pqs h LYS 8 N -0.98 0.86 -0.79 1.13 3.64 -1.81 -2.57 116.57 116.05 2pqs h LYS 8 Ca -0.01 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2pqs h LYS 8 Cb 0.41 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 2pqs h LYS 8 CO 0.02 0.57 0.00 -0.40 -2.27 0.00 0.00 179.45 177.36 2pqs n ASP 9 N -4.64 2.81 -0.90 4.20 5.68 -1.26 -4.89 116.55 117.55 2pqs n ASP 9 Ca 0.06 -2.35 -0.08 0.00 -0.50 0.00 0.00 54.79 51.93 2pqs n ASP 9 Cb 0.03 -0.55 -0.03 0.00 -1.14 0.00 0.00 41.12 39.44 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 0.26 -3.07 -0.06 -1.12 4.13 -0.97 -4.76 115.26 109.67 2pqs n ASN 10 Ca 0.11 0.19 0.02 0.00 1.68 0.00 0.00 54.58 56.58 2pqs n ASN 10 Cb 0.60 -2.63 0.34 0.00 -1.54 0.00 0.00 39.78 36.55 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 1.15 -3.54 3.41 2.02 -1.60 -3.36 112.91 110.99 2pqs h THR 11 Ca -0.16 -0.40 -0.62 0.00 0.77 0.00 0.00 66.41 66.01 2pqs h THR 11 Cb 0.68 0.50 -0.12 0.00 -1.74 0.00 0.00 68.15 67.47 2pqs h THR 11 CO 0.23 0.17 0.31 -0.63 0.37 0.00 0.00 175.52 175.98 2pqs s ILE 12 N -5.45 4.77 0.65 3.11 1.01 -0.45 -5.04 121.20 119.80 2pqs s ILE 12 Ca -0.09 0.78 -0.17 0.00 0.00 0.00 0.00 60.65 61.18 2pqs s ILE 12 Cb 0.17 -4.18 -0.00 0.00 0.01 0.00 0.00 42.46 38.45 2pqs s ILE 12 CO 0.76 -0.41 1.19 -2.16 0.00 0.00 0.00 174.94 174.31 2pqs s PRO 13 N 3.00 2.66 0.25 2.79 0.04 -1.26 -4.88 135.00 137.60 2pqs s PRO 13 Ca 0.29 1.74 -0.03 0.00 0.04 0.00 0.00 61.00 63.04 2pqs s PRO 13 Cb -0.13 -1.90 0.51 0.00 0.04 0.00 0.00 34.50 33.01 2pqs s PRO 13 CO 0.17 -1.43 1.71 -0.91 0.04 0.00 0.00 177.00 176.57 2pqs h ASN 14 N 0.35 0.19 -0.41 6.66 2.35 -1.91 -0.94 115.58 121.86 2pqs h ASN 14 Ca -0.49 0.13 0.12 0.00 -0.55 0.00 0.00 56.30 55.51 2pqs h ASN 14 Cb 1.29 0.14 -0.02 0.00 0.05 0.00 0.00 38.32 39.78 2pqs h ASN 14 CO 0.53 0.03 0.50 0.07 -1.65 0.00 0.00 177.43 176.91 2pqs h LYS 15 N 0.37 0.00 -0.19 0.81 2.10 -1.99 0.16 116.57 117.83 2pqs h LYS 15 Ca 0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.09 2pqs h LYS 15 Cb 0.73 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.06 2pqs h LYS 15 CO -0.47 0.00 0.00 1.04 -2.00 0.00 0.00 179.45 178.02 2pqs n GLN 16 N -3.58 1.81 -4.06 0.07 6.02 -0.36 -4.74 117.38 112.55 2pqs n GLN 16 Ca 0.08 -1.23 -0.33 0.00 -0.01 0.00 0.00 57.00 55.51 2pqs n GLN 16 Cb 0.67 -1.40 -0.15 0.00 1.02 0.00 0.00 30.24 30.38 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 -1.75 2.36 0.35 5.09 1.01 0.57 -0.08 121.20 128.74 2pqs s ILE 17 Ca 0.33 -0.99 0.04 0.00 0.00 0.00 0.00 60.65 60.02 2pqs s ILE 17 Cb 0.18 -2.09 -0.04 0.00 0.01 0.00 0.00 42.46 40.52 2pqs s ILE 17 CO 0.26 0.40 0.13 0.42 0.00 0.00 0.00 174.94 176.15 2pqs s THR 18 N 1.29 0.58 0.22 2.92 -4.23 0.48 -4.12 115.64 112.78 2pqs s THR 18 Ca 0.02 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 58.35 2pqs s THR 18 Cb -0.15 -2.49 0.03 0.00 1.34 0.00 0.00 72.50 71.23 2pqs s THR 18 CO -0.09 0.00 0.57 0.00 -0.54 0.00 0.00 174.62 174.55 2pqs s ALA 19 N -3.38 -0.98 0.38 3.99 0.00 -1.26 0.57 121.76 121.08 2pqs s ALA 19 Ca 0.31 -0.25 0.05 0.00 0.00 0.00 0.00 51.96 52.07 2pqs s ALA 19 Cb 0.05 0.88 0.76 0.00 0.00 0.00 0.00 23.12 24.80 2pqs s ALA 19 CO 0.16 -0.86 2.04 0.66 0.00 0.00 0.00 175.76 177.76 2pqs h SER 20 N 2.14 0.59 -5.59 0.00 4.64 -1.57 -3.46 113.55 110.29 2pqs h SER 20 Ca -0.27 -0.01 0.26 0.00 -0.47 0.00 0.00 61.79 61.30 2pqs h SER 20 Cb 1.26 -0.15 -0.09 0.00 -0.31 0.00 0.00 62.40 63.12 2pqs h SER 20 CO 0.34 0.43 0.70 -0.94 -0.87 0.00 0.00 176.83 176.48 2pqs s SER 21 N -6.58 -0.07 -0.00 4.97 1.04 -1.26 -5.00 113.70 106.79 2pqs s SER 21 Ca -0.09 -0.31 -0.16 0.00 0.48 0.00 0.00 55.95 55.86 2pqs s SER 21 Cb 0.18 0.31 0.03 0.00 0.10 0.00 0.00 66.02 66.63 2pqs s SER 21 CO 0.75 -0.59 0.35 -0.72 0.98 0.00 0.00 173.24 174.00 2pqs s TYR 22 N -2.58 -0.21 0.40 5.02 -0.85 -1.26 -4.23 117.35 113.63 2pqs s TYR 22 Ca 0.17 0.28 -0.16 0.00 -0.52 0.00 0.00 57.07 56.83 2pqs s TYR 22 Cb 0.01 0.13 -0.09 0.00 0.38 0.00 0.00 41.96 42.39 2pqs s TYR 22 CO -0.00 -0.44 0.85 -0.47 -1.52 0.00 0.00 175.55 173.96 2pqs s TYR 23 N -1.62 3.38 -0.22 -3.49 5.04 0.42 -3.80 117.35 117.05 2pqs s TYR 23 Ca -0.11 1.35 -0.01 0.00 -2.44 0.00 0.00 57.07 55.85 2pqs s TYR 23 Cb -0.04 -2.65 0.06 0.00 0.35 0.00 0.00 41.96 39.68 2pqs s TYR 23 CO 0.03 -0.08 -0.00 0.15 -1.34 0.00 0.00 175.55 174.31 2pqs s LYS 24 N -3.36 1.13 0.19 4.97 1.02 -1.26 0.05 119.74 122.47 2pqs s LYS 24 Ca 0.57 -0.77 -0.33 0.00 0.02 0.00 0.00 55.97 55.46 2pqs s LYS 24 Cb -0.10 -2.35 -0.13 0.00 -0.52 0.00 0.00 37.83 34.73 2pqs s LYS 24 CO 0.21 -0.65 1.61 2.41 -0.92 0.00 0.00 175.35 178.01 2pqs n THR 25 N 4.84 0.09 -1.98 2.17 -1.04 -0.50 -0.57 114.28 117.30 2pqs n THR 25 Ca -0.10 -0.02 -0.16 0.00 -2.04 0.00 0.00 64.05 61.73 2pqs n THR 25 Cb 0.45 -1.69 -0.04 0.00 -1.82 0.00 0.00 70.33 67.24 2pqs n THR 25 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 2pqs n TRP 26 N 3.45 -0.77 -0.96 -1.42 8.01 -1.26 -1.22 117.44 123.28 2pqs n TRP 26 Ca 0.16 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.35 2pqs n TRP 26 Cb 0.31 -3.12 0.00 0.00 -2.01 0.00 0.00 31.31 26.49 2pqs n TRP 26 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2pqs n GLY 27 N -0.62 0.15 3.65 6.99 0.00 0.27 -4.95 105.19 110.68 2pqs n GLY 27 Ca -0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 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 4.09 0.34 0.99 1.43 -0.36 -4.95 118.68 120.23 2pqs s LEU 28 Ca 0.00 1.06 0.10 0.00 -1.03 0.00 0.00 54.13 54.26 2pqs s LEU 28 Cb 0.00 -3.20 0.85 0.00 0.03 0.00 0.00 46.19 43.87 2pqs s LEU 28 CO 0.00 -0.50 1.81 -1.28 0.23 0.00 0.00 176.35 176.61 2pqs h SER 29 N 7.63 0.66 0.66 2.29 0.87 -1.92 0.91 113.55 124.64 2pqs h SER 29 Ca -0.24 0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.38 2pqs h SER 29 Cb 1.10 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 63.00 2pqs h SER 29 CO 0.87 0.26 -0.06 0.00 -0.53 0.00 0.00 176.83 177.38 2pqs h ALA 30 N 1.62 1.06 -0.89 6.23 0.00 -1.94 -2.86 119.26 122.48 2pqs h ALA 30 Ca 0.53 -0.05 -0.60 0.00 0.00 0.00 0.00 54.91 54.79 2pqs h ALA 30 Cb 0.96 -0.01 -0.31 0.00 0.00 0.00 0.00 17.79 18.43 2pqs h ALA 30 CO -0.29 0.07 0.38 1.19 0.00 0.00 0.00 179.25 180.60 2pqs n PHE 31 N -3.25 2.94 -3.24 0.00 0.99 0.31 -5.00 117.46 110.22 2pqs n PHE 31 Ca -0.01 -2.62 -0.38 0.00 -0.00 0.00 0.00 57.45 54.45 2pqs n PHE 31 Cb 0.26 -1.07 -0.06 0.00 -1.00 0.00 0.00 39.48 37.61 2pqs n PHE 31 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.76 175.22 2pqs s SER 32 N -2.25 7.04 -1.26 4.37 1.04 -1.08 -1.41 113.70 120.15 2pqs s SER 32 Ca 0.59 1.28 -0.08 0.00 0.48 0.00 0.00 55.95 58.23 2pqs s SER 32 Cb 0.48 -2.37 0.18 0.00 0.10 0.00 0.00 66.02 64.41 2pqs s SER 32 CO 0.01 0.20 1.94 0.79 0.98 0.00 0.00 173.24 177.16 2pqs n TRP 33 N 1.36 2.77 -1.50 5.02 7.02 0.11 -4.98 117.44 127.24 2pqs n TRP 33 Ca -0.08 -2.76 -0.45 0.00 -1.02 0.00 0.00 57.50 53.19 2pqs n TRP 33 Cb 0.51 -1.83 -0.01 0.00 -2.42 0.00 0.00 31.31 27.55 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 3.09 0.31 -0.06 -5.99 3.01 -1.26 -3.04 117.46 113.51 2pqs n PHE 34 Ca 0.43 0.75 0.15 0.00 1.01 0.00 0.00 57.45 59.79 2pqs n PHE 34 Cb 0.33 -2.10 0.56 0.00 -0.01 0.00 0.00 39.48 38.26 2pqs n PHE 34 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2pqs h PRO 35 N 1.40 0.27 0.00 -1.08 0.13 -1.89 -0.29 132.00 130.53 2pqs h PRO 35 Ca -0.36 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 2pqs h PRO 35 Cb 1.38 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.45 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 -4.45 0.00 1.05 1.56 0.18 -1.26 -1.69 117.16 112.55 2pqs n TYR 36 Ca 0.10 0.00 0.12 0.00 1.88 0.00 0.00 57.90 60.00 2pqs n TYR 36 Cb 0.45 0.00 0.08 0.00 -0.38 0.00 0.00 39.34 39.50 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 -0.56 0.00 -0.91 -3.48 4.01 -0.12 -4.59 117.16 111.52 2pqs n TYR 37 Ca 0.02 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.62 2pqs n TYR 37 Cb 0.01 -0.02 -0.12 0.00 -0.31 0.00 0.00 39.34 38.90 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 0.15 5.81 -2.88 -0.72 0.00 -0.68 -3.33 120.51 118.86 2pqs n ALA 38 Ca 0.11 -1.85 -0.34 0.00 0.00 0.00 0.00 53.44 51.36 2pqs n ALA 38 Cb 0.47 -2.49 -0.11 0.00 0.00 0.00 0.00 19.45 17.32 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 1.53 3.59 0.18 0.00 0.52 -1.26 0.04 118.95 123.55 2pqs s ARG 39 Ca 0.58 -0.48 -0.32 0.00 -0.52 0.00 0.00 55.73 54.99 2pqs s ARG 39 Cb 0.25 -2.93 -0.16 0.00 0.52 0.00 0.00 34.95 32.64 2pqs s ARG 39 CO -0.01 0.33 1.10 -0.11 0.02 0.00 0.00 175.30 176.63 2pqs n LEU 40 N 3.29 1.34 -1.68 2.53 7.94 -0.38 -1.41 117.00 128.63 2pqs n LEU 40 Ca -0.17 1.15 -0.21 0.00 -1.11 0.00 0.00 56.01 55.67 2pqs n LEU 40 Cb 0.53 -1.20 -0.08 0.00 0.53 0.00 0.00 43.42 43.20 2pqs n LEU 40 CO 0.32 -1.43 -0.20 0.47 -1.11 0.00 0.00 177.39 175.44 2pqs n ASP 41 N 1.90 -5.53 -4.74 1.96 8.00 -1.26 -4.60 116.55 112.28 2pqs n ASP 41 Ca 0.15 0.45 -0.42 0.00 0.71 0.00 0.00 54.79 55.68 2pqs n ASP 41 Cb 0.25 -4.81 -0.02 0.00 -0.02 0.00 0.00 41.12 36.51 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 -2.70 6.54 0.35 -2.24 2.47 -0.50 -4.99 114.94 113.88 2pqs s ASN 42 Ca 0.00 2.74 0.08 0.00 0.42 0.00 0.00 52.86 56.10 2pqs s ASN 42 Cb 0.00 -2.62 -0.03 0.00 -1.45 0.00 0.00 41.25 37.16 2pqs s ASN 42 CO 0.00 -0.81 0.30 -1.10 -3.72 0.00 0.00 177.10 171.78 2pqs s GLN 43 N 0.05 2.67 0.00 0.43 -1.52 -1.26 -4.83 119.66 115.19 2pqs s GLN 43 Ca 0.64 -1.36 0.00 0.00 -1.95 0.00 0.00 55.36 52.69 2pqs s GLN 43 Cb -0.44 -2.44 0.00 0.00 -0.22 0.00 0.00 33.01 29.90 2pqs s GLN 43 CO 0.41 0.03 0.00 0.41 -0.25 0.00 0.00 175.29 175.89 2pqs n GLY 44 N -1.40 -1.14 0.06 3.09 0.00 -1.26 -4.60 105.19 99.95 2pqs n GLY 44 Ca -0.01 -2.23 -0.07 0.00 0.00 0.00 0.00 46.02 43.71 2pqs n GLY 44 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pqs h LYS 45 N 5.08 0.02 -2.19 1.61 1.57 -1.97 -3.35 116.57 117.34 2pqs h LYS 45 Ca 0.00 -0.03 -0.57 0.00 -1.87 0.00 0.00 60.65 58.19 2pqs h LYS 45 Cb 0.00 0.01 -0.41 0.00 0.08 0.00 0.00 32.23 31.91 2pqs h LYS 45 CO 0.00 1.00 -0.79 1.19 -0.57 0.00 0.00 179.45 180.28 2pqs n PHE 46 N -3.37 2.83 -0.13 -1.35 3.01 -1.26 -4.93 117.46 112.25 2pqs n PHE 46 Ca -0.01 -3.96 -0.12 0.00 1.01 0.00 0.00 57.45 54.38 2pqs n PHE 46 Cb 0.94 -0.48 0.09 0.00 -0.01 0.00 0.00 39.48 40.02 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 0.17 3.39 -3.73 4.37 6.94 -1.26 -4.91 115.26 120.23 2pqs n ASN 47 Ca 0.29 -2.82 -0.04 0.00 -0.02 0.00 0.00 54.58 51.99 2pqs n ASN 47 Cb 0.46 -0.67 -0.01 0.00 -2.36 0.00 0.00 39.78 37.20 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 -1.68 -1.58 -0.02 -2.53 0.00 -1.21 -4.58 121.76 110.16 2pqs s ALA 48 Ca 0.29 0.03 -0.15 0.00 0.00 0.00 0.00 51.96 52.13 2pqs s ALA 48 Cb 0.24 0.67 -0.05 0.00 0.00 0.00 0.00 23.12 23.98 2pqs s ALA 48 CO 0.06 -1.05 0.40 -0.46 0.00 0.00 0.00 175.76 174.72 2pqs s TRP 49 N -3.28 3.70 -0.04 0.00 -0.00 -0.63 -4.33 118.94 114.36 2pqs s TRP 49 Ca 0.13 0.96 -0.02 0.00 -0.00 0.00 0.00 56.10 57.17 2pqs s TRP 49 Cb -0.02 -2.31 0.03 0.00 -0.00 0.00 0.00 33.47 31.17 2pqs s TRP 49 CO 0.03 0.59 0.05 0.99 -0.00 0.00 0.00 176.95 178.61 2pqs s THR 50 N -0.86 -0.10 0.68 5.86 2.01 -1.17 -1.00 115.64 121.06 2pqs s THR 50 Ca 0.23 0.38 -0.17 0.00 0.31 0.00 0.00 61.69 62.45 2pqs s THR 50 Cb -0.16 -0.14 0.00 0.00 0.01 0.00 0.00 72.50 72.21 2pqs s THR 50 CO 0.13 0.16 1.21 0.00 -0.69 0.00 0.00 174.62 175.42 2pqs n ALA 51 N 5.05 0.69 0.38 7.40 0.00 -1.03 0.16 120.51 133.16 2pqs n ALA 51 Ca -0.09 -0.08 0.13 0.00 0.00 0.00 0.00 53.44 53.41 2pqs n ALA 51 Cb 0.50 -2.27 0.37 0.00 0.00 0.00 0.00 19.45 18.05 2pqs n ALA 51 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 2pqs h GLN 52 N 0.19 0.00 -5.03 0.00 3.07 -1.74 -3.31 115.11 108.30 2pqs h GLN 52 Ca -0.50 0.00 -0.42 0.00 0.09 0.00 0.00 58.65 57.82 2pqs h GLN 52 Cb 1.34 0.00 -0.27 0.00 0.08 0.00 0.00 27.48 28.62 2pqs h GLN 52 CO 0.51 0.00 -0.79 0.99 0.09 0.00 0.00 178.83 179.63 2pqs s THR 53 N -3.27 0.91 -1.24 1.86 2.01 -1.26 -4.85 115.64 109.80 2pqs s THR 53 Ca 0.07 -0.66 -0.09 0.00 0.31 0.00 0.00 61.69 61.31 2pqs s THR 53 Cb 0.08 -0.80 0.19 0.00 0.01 0.00 0.00 72.50 71.99 2pqs s THR 53 CO 0.59 0.13 1.74 0.59 -0.69 0.00 0.00 174.62 176.99 2pqs n ASN 54 N 2.46 5.29 -4.76 3.53 3.02 -1.26 -4.90 115.26 118.65 2pqs n ASN 54 Ca -0.15 -3.13 -0.23 0.00 -0.03 0.00 0.00 54.58 51.04 2pqs n ASN 54 Cb 0.56 -1.46 -0.06 0.00 -0.61 0.00 0.00 39.78 38.21 2pqs n ASN 54 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2pqs s SER 55 N 0.81 4.74 0.00 6.41 0.15 -1.26 -5.02 113.70 119.53 2pqs s SER 55 Ca 0.39 -0.78 0.28 0.00 0.70 0.00 0.00 55.95 56.54 2pqs s SER 55 Cb 0.07 -0.71 1.25 0.00 -1.71 0.00 0.00 66.02 64.92 2pqs s SER 55 CO 0.02 -0.36 1.86 0.00 1.20 0.00 0.00 173.24 175.95 2pqs n ALA 56 N -1.21 2.60 -0.86 5.45 0.00 -1.26 -3.70 120.51 121.53 2pqs n ALA 56 Ca -0.02 -0.38 0.08 0.00 0.00 0.00 0.00 53.44 53.12 2pqs n ALA 56 Cb 0.61 -1.25 0.31 0.00 0.00 0.00 0.00 19.45 19.12 2pqs n ALA 56 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2pqs n SER 57 N -0.14 4.47 -4.89 0.00 7.64 -1.26 -4.89 113.62 114.55 2pqs n SER 57 Ca 0.20 -2.85 -0.29 0.00 1.01 0.00 0.00 58.87 56.94 2pqs n SER 57 Cb 0.28 -0.57 -0.03 0.00 -1.01 0.00 0.00 64.21 62.89 2pqs n SER 57 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2pqs s GLU 58 N -2.55 3.72 0.04 1.43 0.41 -1.24 -4.95 118.70 115.55 2pqs s GLU 58 Ca 0.45 0.33 -0.22 0.00 -0.41 0.00 0.00 54.97 55.12 2pqs s GLU 58 Cb 0.35 -2.45 0.05 0.00 -1.78 0.00 0.00 34.13 30.29 2pqs s GLU 58 CO 0.13 0.00 0.51 1.67 -0.49 0.00 0.00 175.26 177.09 2pqs s TRP 59 N -2.34 -0.41 -0.17 1.61 1.48 -1.26 -4.09 118.94 113.75 2pqs s TRP 59 Ca 0.49 0.48 -0.00 0.00 -1.06 0.00 0.00 56.10 56.00 2pqs s TRP 59 Cb -0.10 0.32 0.00 0.00 -1.16 0.00 0.00 33.47 32.53 2pqs s TRP 59 CO 0.32 -0.62 -0.15 -1.17 -4.06 0.00 0.00 176.95 171.28 2pqs s LEU 60 N -1.90 2.45 -0.17 -4.66 2.96 -0.63 -1.33 118.68 115.40 2pqs s LEU 60 Ca -0.06 -0.51 -0.04 0.00 -0.22 0.00 0.00 54.13 53.31 2pqs s LEU 60 Cb -0.01 -1.57 -0.02 0.00 0.50 0.00 0.00 46.19 45.09 2pqs s LEU 60 CO -0.01 0.04 -0.04 -1.58 -1.32 0.00 0.00 176.35 173.44 2pqs s GLN 61 N 1.08 3.57 -0.18 1.98 0.74 0.19 -0.88 119.66 126.16 2pqs s GLN 61 Ca -0.00 -0.56 -0.01 0.00 0.05 0.00 0.00 55.36 54.84 2pqs s GLN 61 Cb -0.14 -2.93 0.00 0.00 1.10 0.00 0.00 33.01 31.04 2pqs s GLN 61 CO -0.04 0.11 -0.12 0.42 -0.55 0.00 0.00 175.29 175.10 2pqs s ILE 62 N 0.70 2.79 -0.44 -2.34 1.01 0.42 -0.39 121.20 122.95 2pqs s ILE 62 Ca -0.02 -0.71 -0.16 0.00 0.00 0.00 0.00 60.65 59.76 2pqs s ILE 62 Cb -0.15 -2.21 0.04 0.00 0.01 0.00 0.00 42.46 40.15 2pqs s ILE 62 CO 0.02 0.49 0.39 -0.62 0.00 0.00 0.00 174.94 175.22 2pqs s ASP 63 N 1.14 6.15 0.57 3.58 -1.08 0.88 -1.34 116.67 126.57 2pqs s ASP 63 Ca 0.01 -0.98 0.35 0.00 -0.52 0.00 0.00 52.55 51.41 2pqs s ASP 63 Cb -0.14 -2.19 1.60 0.00 -1.46 0.00 0.00 42.92 40.72 2pqs s ASP 63 CO -0.04 -0.58 2.07 -0.07 0.52 0.00 0.00 175.17 177.07 2pqs h LEU 64 N 8.87 0.00 0.00 -1.34 3.38 -0.50 -3.46 115.31 122.26 2pqs h LEU 64 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 2pqs h LEU 64 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 2pqs h LEU 64 CO 0.81 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.97 2pqs n GLY 65 N -0.26 3.06 3.40 0.83 0.00 -1.26 -4.97 105.19 105.99 2pqs n GLY 65 Ca -0.00 -0.60 -0.10 0.00 0.00 0.00 0.00 46.02 45.32 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 0.30 -0.12 0.27 1.61 1.04 -1.26 -5.08 113.70 110.47 2pqs s SER 66 Ca 0.00 -0.61 -0.30 0.00 0.48 0.00 0.00 55.95 55.52 2pqs s SER 66 Cb 0.00 0.49 -0.11 0.00 0.10 0.00 0.00 66.02 66.50 2pqs s SER 66 CO 0.00 -0.94 1.58 -1.10 0.98 0.00 0.00 173.24 173.76 2pqs s GLN 67 N -3.90 4.14 0.11 4.02 -0.21 -1.26 -4.32 119.66 118.25 2pqs s GLN 67 Ca 0.11 2.54 -0.00 0.00 0.02 0.00 0.00 55.36 58.02 2pqs s GLN 67 Cb 0.01 -3.04 -0.04 0.00 1.00 0.00 0.00 33.01 30.94 2pqs s GLN 67 CO -0.04 -0.61 0.00 0.15 -2.12 0.00 0.00 175.29 172.67 2pqs s LYS 68 N -0.28 0.84 -0.16 2.91 -0.14 -0.94 -4.90 119.74 117.07 2pqs s LYS 68 Ca 0.64 -1.37 -0.20 0.00 -1.36 0.00 0.00 55.97 53.68 2pqs s LYS 68 Cb -0.47 0.09 -0.03 0.00 -1.68 0.00 0.00 37.83 35.74 2pqs s LYS 68 CO 0.45 -0.16 0.56 1.03 -0.76 0.00 0.00 175.35 176.48 2pqs s ARG 69 N -3.96 4.28 -0.25 1.68 3.00 -0.72 -1.73 118.95 121.25 2pqs s ARG 69 Ca 0.17 0.54 -0.03 0.00 0.00 0.00 0.00 55.73 56.41 2pqs s ARG 69 Cb 0.07 -3.51 0.01 0.00 0.00 0.00 0.00 34.95 31.52 2pqs s ARG 69 CO -0.03 -0.05 -0.03 0.08 0.00 0.00 0.00 175.30 175.27 2pqs s VAL 70 N 1.29 3.28 -0.15 3.52 1.01 0.18 -2.07 120.40 127.46 2pqs s VAL 70 Ca 0.28 -0.75 0.13 0.00 0.00 0.00 0.00 61.98 61.64 2pqs s VAL 70 Cb -0.16 -2.60 -0.18 0.00 0.00 0.00 0.00 36.38 33.44 2pqs s VAL 70 CO 0.11 0.27 0.04 0.35 0.00 0.00 0.00 175.10 175.87 2pqs n THR 71 N 4.76 1.05 -3.72 3.92 -2.24 0.79 -2.08 114.28 116.76 2pqs n THR 71 Ca -0.17 -0.63 -0.08 0.00 -2.27 0.00 0.00 64.05 60.90 2pqs n THR 71 Cb 0.49 -0.64 -0.01 0.00 -2.10 0.00 0.00 70.33 68.08 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 2.10 2.08 3.38 3.38 0.00 -1.08 0.00 105.19 115.05 2pqs n GLY 72 Ca -0.26 -1.38 -0.15 0.00 0.00 0.00 0.00 46.02 44.24 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 -2.59 0.02 -0.02 -0.61 2.07 0.12 -1.54 121.20 118.66 2pqs s ILE 73 Ca 0.15 -0.16 0.04 0.00 -1.41 0.00 0.00 60.65 59.27 2pqs s ILE 73 Cb -0.01 -0.75 -0.01 0.00 0.13 0.00 0.00 42.46 41.82 2pqs s ILE 73 CO 0.11 -0.09 -0.15 -0.63 -1.91 0.00 0.00 174.94 172.27 2pqs s ILE 74 N -0.62 1.18 0.09 2.00 1.01 -0.29 -0.52 121.20 124.04 2pqs s ILE 74 Ca -0.07 -0.62 0.02 0.00 0.00 0.00 0.00 60.65 59.98 2pqs s ILE 74 Cb -0.03 -1.00 -0.04 0.00 0.01 0.00 0.00 42.46 41.40 2pqs s ILE 74 CO 0.04 0.34 -0.07 0.42 0.00 0.00 0.00 174.94 175.68 2pqs s THR 75 N -0.18 0.64 0.10 2.92 -4.23 -0.51 -1.52 115.64 112.86 2pqs s THR 75 Ca 0.02 -1.79 -0.04 0.00 -1.18 0.00 0.00 61.69 58.71 2pqs s THR 75 Cb -0.07 -1.50 -0.03 0.00 1.34 0.00 0.00 72.50 72.24 2pqs s THR 75 CO 0.00 -0.80 0.09 -1.10 -0.54 0.00 0.00 174.62 172.27 2pqs s GLN 76 N -3.47 0.84 0.00 3.99 -0.21 -0.41 -1.83 119.66 118.57 2pqs s GLN 76 Ca 0.08 -1.22 0.00 0.00 0.02 0.00 0.00 55.36 54.24 2pqs s GLN 76 Cb 0.03 0.28 0.00 0.00 1.00 0.00 0.00 33.01 34.31 2pqs s GLN 76 CO -0.04 -0.24 0.00 0.41 -2.12 0.00 0.00 175.29 173.30 2pqs n GLY 77 N -0.04 1.38 3.60 3.09 0.00 -1.03 -2.05 105.19 110.15 2pqs n GLY 77 Ca -0.11 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.79 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 -3.09 -2.32 -0.13 4.61 0.00 -0.30 -4.44 121.76 116.10 2pqs s ALA 78 Ca 0.00 1.43 -0.06 0.00 0.00 0.00 0.00 51.96 53.33 2pqs s ALA 78 Cb 0.00 -0.08 -0.04 0.00 0.00 0.00 0.00 23.12 23.00 2pqs s ALA 78 CO 0.00 -0.79 0.09 0.50 0.00 0.00 0.00 175.76 175.56 2pqs s ARG 79 N -2.09 3.48 -0.43 0.00 3.52 -1.26 -1.56 118.95 120.60 2pqs s ARG 79 Ca 0.13 -0.24 0.04 0.00 -0.13 0.00 0.00 55.73 55.52 2pqs s ARG 79 Cb 0.03 -3.11 0.12 0.00 -1.56 0.00 0.00 34.95 30.42 2pqs s ARG 79 CO -0.04 0.63 0.16 0.34 -0.81 0.00 0.00 175.30 175.58 2pqs s ASP 80 N -0.64 4.46 1.88 -2.12 2.15 0.60 -4.96 116.67 118.04 2pqs s ASP 80 Ca 0.12 -2.57 0.00 0.00 0.43 0.00 0.00 52.55 50.53 2pqs s ASP 80 Cb -0.12 -1.57 0.00 0.00 -0.30 0.00 0.00 42.92 40.93 2pqs s ASP 80 CO 0.02 -0.30 0.00 2.22 -0.17 0.00 0.00 175.17 176.94 2pqs n PHE 81 N 3.69 0.00 -0.22 -5.34 -1.74 -1.26 -1.84 117.46 110.75 2pqs n PHE 81 Ca 0.04 0.00 0.06 0.00 -0.56 0.00 0.00 57.45 56.99 2pqs n PHE 81 Cb 0.37 0.00 0.28 0.00 1.52 0.00 0.00 39.48 41.65 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 2.35 3.08 4.97 0.00 -1.26 -4.92 105.19 109.40 2pqs n GLY 82 Ca 0.00 -0.64 -0.16 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.07 0.84 0.14 1.61 4.02 -0.77 -5.14 115.29 113.92 2pqs s HIS 83 Ca 0.38 -0.38 -0.13 0.00 1.02 0.00 0.00 55.06 55.95 2pqs s HIS 83 Cb 0.27 -0.50 -0.07 0.00 -1.02 0.00 0.00 32.58 31.26 2pqs s HIS 83 CO 0.14 -0.02 0.53 0.96 1.02 0.00 0.00 174.74 177.36 2pqs s ILE 84 N -0.98 4.90 -0.01 0.60 -4.36 -1.26 -0.29 121.20 119.79 2pqs s ILE 84 Ca -0.04 0.74 -0.01 0.00 -0.26 0.00 0.00 60.65 61.09 2pqs s ILE 84 Cb -0.08 -3.71 0.01 0.00 1.25 0.00 0.00 42.46 39.93 2pqs s ILE 84 CO 0.01 0.23 0.03 -1.10 0.24 0.00 0.00 174.94 174.35 2pqs s GLN 85 N -2.01 0.02 0.00 0.37 -0.21 -0.60 -4.65 119.66 112.58 2pqs s GLN 85 Ca 0.38 0.09 -0.29 0.00 0.02 0.00 0.00 55.36 55.55 2pqs s GLN 85 Cb -0.15 -0.05 0.10 0.00 1.00 0.00 0.00 33.01 33.92 2pqs s GLN 85 CO 0.19 -0.05 0.92 1.52 -2.12 0.00 0.00 175.29 175.76 2pqs s TYR 86 N 0.29 -0.30 -0.25 0.91 -0.85 -1.12 -1.15 117.35 114.87 2pqs s TYR 86 Ca -0.02 0.15 -0.15 0.00 -0.52 0.00 0.00 57.07 56.52 2pqs s TYR 86 Cb -0.03 0.55 -0.04 0.00 0.38 0.00 0.00 41.96 42.82 2pqs s TYR 86 CO -0.01 -0.55 0.40 0.08 -1.52 0.00 0.00 175.55 173.95 2pqs s VAL 87 N -3.08 5.17 -0.17 -3.49 1.01 -1.23 -0.74 120.40 117.86 2pqs s VAL 87 Ca 0.06 0.64 0.20 0.00 0.00 0.00 0.00 61.98 62.88 2pqs s VAL 87 Cb -0.01 -3.72 -0.09 0.00 0.00 0.00 0.00 36.38 32.56 2pqs s VAL 87 CO -0.07 0.17 0.89 0.00 0.00 0.00 0.00 175.10 176.09 2pqs n ALA 88 N 5.17 2.25 -3.11 5.51 0.00 -0.02 -1.84 120.51 128.47 2pqs n ALA 88 Ca -0.08 -0.41 -0.11 0.00 0.00 0.00 0.00 53.44 52.84 2pqs n ALA 88 Cb 0.51 -1.00 -0.10 0.00 0.00 0.00 0.00 19.45 18.85 2pqs n ALA 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pqs s ALA 89 N -3.16 -0.38 0.10 0.00 0.00 -0.88 0.37 121.76 117.80 2pqs s ALA 89 Ca -0.02 -0.02 -0.26 0.00 0.00 0.00 0.00 51.96 51.66 2pqs s ALA 89 Cb 0.09 0.06 0.08 0.00 0.00 0.00 0.00 23.12 23.35 2pqs s ALA 89 CO 0.81 -0.20 0.81 1.52 0.00 0.00 0.00 175.76 178.70 2pqs s TYR 90 N -1.21 -0.33 0.39 0.00 1.13 -1.09 -0.17 117.35 116.07 2pqs s TYR 90 Ca -0.13 0.10 0.08 0.00 -1.41 0.00 0.00 57.07 55.71 2pqs s TYR 90 Cb -0.07 0.59 -0.05 0.00 -1.10 0.00 0.00 41.96 41.33 2pqs s TYR 90 CO 0.02 -0.76 0.14 1.03 -2.51 0.00 0.00 175.55 173.47 2pqs s ARG 91 N -3.40 2.22 -0.04 -3.49 0.52 0.28 -0.29 118.95 114.75 2pqs s ARG 91 Ca 0.06 -1.79 0.03 0.00 -0.52 0.00 0.00 55.73 53.51 2pqs s ARG 91 Cb -0.02 -1.99 0.00 0.00 0.52 0.00 0.00 34.95 33.47 2pqs s ARG 91 CO -0.06 -0.04 -0.11 0.08 0.02 0.00 0.00 175.30 175.19 2pqs s VAL 92 N -2.57 0.97 0.10 3.52 1.01 -1.26 -0.88 120.40 121.29 2pqs s VAL 92 Ca 0.39 -0.45 0.07 0.00 0.00 0.00 0.00 61.98 62.00 2pqs s VAL 92 Cb 0.03 -0.86 -0.03 0.00 0.00 0.00 0.00 36.38 35.52 2pqs s VAL 92 CO 0.22 0.30 -0.18 0.00 0.00 0.00 0.00 175.10 175.44 2pqs s ALA 93 N 0.24 1.55 0.17 5.51 0.00 -0.41 -0.89 121.76 127.93 2pqs s ALA 93 Ca -0.05 -1.17 -0.12 0.00 0.00 0.00 0.00 51.96 50.62 2pqs s ALA 93 Cb -0.10 -0.17 0.01 0.00 0.00 0.00 0.00 23.12 22.85 2pqs s ALA 93 CO 0.01 0.26 0.37 1.52 0.00 0.00 0.00 175.76 177.92 2pqs s TYR 94 N -1.35 0.19 -0.03 0.00 -0.85 -0.66 -0.13 117.35 114.52 2pqs s TYR 94 Ca 0.04 -0.55 -0.13 0.00 -0.52 0.00 0.00 57.07 55.91 2pqs s TYR 94 Cb -0.09 0.11 0.04 0.00 0.38 0.00 0.00 41.96 42.40 2pqs s TYR 94 CO 0.04 -0.78 0.59 0.41 -1.52 0.00 0.00 175.55 174.28 2pqs n GLY 95 N -0.25 0.35 0.05 5.49 0.00 -0.89 -0.55 105.19 109.39 2pqs n GLY 95 Ca -0.09 -0.91 -0.05 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.51 2.73 0.05 1.61 8.00 -1.26 -1.77 116.55 125.40 2pqs n ASP 96 Ca 0.03 -0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.59 2pqs n ASP 96 Cb 0.26 0.66 -0.07 0.00 -0.02 0.00 0.00 41.12 41.95 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 -2.38 0.59 0.00 -2.24 3.85 -1.26 -4.72 116.55 110.39 2pqs n ASP 97 Ca -0.16 0.24 0.00 0.00 -0.71 0.00 0.00 54.79 54.16 2pqs n ASP 97 Cb 0.80 0.80 0.00 0.00 -1.35 0.00 0.00 41.12 41.37 2pqs n ASP 97 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2pqs n GLY 98 N 1.29 0.81 0.00 6.12 0.00 -1.26 -4.84 105.19 107.30 2pqs n GLY 98 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2pqs n GLY 98 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2pqs n VAL 99 N -2.24 0.00 -3.74 1.61 0.24 -1.26 -5.03 118.33 107.90 2pqs n VAL 99 Ca 0.00 0.00 -0.36 0.00 -2.04 0.00 0.00 64.34 61.94 2pqs n VAL 99 Cb 0.00 -0.09 -0.10 0.00 -1.47 0.00 0.00 33.84 32.17 2pqs n VAL 99 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2pqs s THR 100 N -0.91 5.01 0.16 3.34 2.01 -1.26 -5.09 115.64 118.90 2pqs s THR 100 Ca 0.00 0.06 0.10 0.00 0.31 0.00 0.00 61.69 62.16 2pqs s THR 100 Cb 0.00 -3.33 -0.04 0.00 0.01 0.00 0.00 72.50 69.14 2pqs s THR 100 CO 0.00 0.35 -0.22 0.26 -0.69 0.00 0.00 174.62 174.31 2pqs s TRP 101 N 1.17 2.10 -0.15 4.92 0.52 -1.26 -4.36 118.94 121.87 2pqs s TRP 101 Ca 0.06 -0.40 0.01 0.00 0.02 0.00 0.00 56.10 55.79 2pqs s TRP 101 Cb -0.14 -1.07 0.02 0.00 -1.15 0.00 0.00 33.47 31.13 2pqs s TRP 101 CO 0.05 0.39 -0.17 0.99 0.02 0.00 0.00 176.95 178.22 2pqs s THR 102 N -1.60 1.77 -0.03 2.01 2.01 0.29 -4.91 115.64 115.17 2pqs s THR 102 Ca 0.16 -0.77 -0.30 0.00 0.31 0.00 0.00 61.69 61.09 2pqs s THR 102 Cb -0.08 -1.62 -0.03 0.00 0.01 0.00 0.00 72.50 70.78 2pqs s THR 102 CO 0.08 0.49 1.08 -1.61 -0.69 0.00 0.00 174.62 173.97 2pqs s GLU 103 N 1.28 4.45 0.36 4.92 0.41 -1.26 -1.66 118.70 127.19 2pqs s GLU 103 Ca 0.02 1.54 -0.28 0.00 -0.41 0.00 0.00 54.97 55.84 2pqs s GLU 103 Cb -0.13 -3.49 -0.10 0.00 -1.78 0.00 0.00 34.13 28.63 2pqs s GLU 103 CO -0.09 -0.26 1.37 -0.47 -0.49 0.00 0.00 175.26 175.32 2pqs s TYR 104 N 1.60 2.86 0.02 1.61 5.04 -0.07 -4.90 117.35 123.51 2pqs s TYR 104 Ca 0.53 1.33 -0.00 0.00 -2.44 0.00 0.00 57.07 56.49 2pqs s TYR 104 Cb -0.23 -3.80 -0.02 0.00 0.35 0.00 0.00 41.96 38.26 2pqs s TYR 104 CO 0.24 -2.30 -0.02 0.15 -1.34 0.00 0.00 175.55 172.28 2pqs s LYS 105 N -1.95 0.30 0.68 4.97 1.02 -1.26 -1.18 119.74 122.32 2pqs s LYS 105 Ca 0.51 -0.57 -0.11 0.00 0.02 0.00 0.00 55.97 55.82 2pqs s LYS 105 Cb -0.42 0.11 -0.00 0.00 -0.52 0.00 0.00 37.83 37.00 2pqs s LYS 105 CO 0.56 -0.05 1.08 -0.51 -0.92 0.00 0.00 175.35 175.51 2pqs s ASP 106 N -1.38 5.66 0.48 2.83 1.01 -1.26 -4.87 116.67 119.15 2pqs s ASP 106 Ca -0.15 1.22 -0.24 0.00 0.71 0.00 0.00 52.55 54.09 2pqs s ASP 106 Cb -0.09 -2.09 -0.07 0.00 1.01 0.00 0.00 42.92 41.67 2pqs s ASP 106 CO -0.01 -1.21 1.35 -0.81 0.21 0.00 0.00 175.17 174.70 2pqs n PRO 107 N -2.94 1.93 -0.56 8.23 -0.04 -1.26 -1.41 135.00 138.95 2pqs n PRO 107 Ca 0.07 0.69 0.00 0.00 -0.04 0.00 0.00 63.50 64.22 2pqs n PRO 107 Cb 0.56 -2.54 0.00 0.00 -0.04 0.00 0.00 33.50 31.49 2pqs n PRO 107 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2pqs n GLY 108 N 0.72 0.72 0.00 0.55 0.00 -1.26 -4.99 105.19 100.93 2pqs n GLY 108 Ca 0.08 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.33 0.00 0.00 4.61 0.00 -0.50 -4.90 120.51 119.38 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 0.45 0.00 0.00 0.00 177.50 177.95 2pqs n SER 110 N 0.00 0.00 -4.61 0.00 2.88 -1.26 -4.85 113.62 105.78 2pqs n SER 110 Ca 0.00 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.30 2pqs n SER 110 Cb 0.00 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.38 2pqs n SER 110 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 2pqs s GLU 111 N 0.00 2.09 0.72 -1.46 0.41 -1.26 -5.11 118.70 114.08 2pqs s GLU 111 Ca 0.00 -1.65 -0.16 0.00 -0.41 0.00 0.00 54.97 52.76 2pqs s GLU 111 Cb 0.00 -1.98 0.03 0.00 -1.78 0.00 0.00 34.13 30.40 2pqs s GLU 111 CO 0.00 0.24 1.24 -1.54 -0.49 0.00 0.00 175.26 174.70 2pqs s SER 112 N -3.67 4.21 0.07 -0.19 1.04 -1.26 -4.71 113.70 109.18 2pqs s SER 112 Ca 0.33 2.46 -0.30 0.00 0.48 0.00 0.00 55.95 58.92 2pqs s SER 112 Cb -0.03 -2.60 -0.05 0.00 0.10 0.00 0.00 66.02 63.44 2pqs s SER 112 CO 0.19 -2.26 0.98 -0.75 0.98 0.00 0.00 173.24 172.38 2pqs s LYS 113 N -3.75 4.64 -0.47 4.02 2.47 -0.32 -4.97 119.74 121.35 2pqs s LYS 113 Ca 0.77 1.45 -0.13 0.00 -1.56 0.00 0.00 55.97 56.51 2pqs s LYS 113 Cb -0.32 -3.41 0.09 0.00 -1.46 0.00 0.00 37.83 32.73 2pqs s LYS 113 CO 0.44 0.10 0.37 0.42 0.16 0.00 0.00 175.35 176.84 2pqs s ILE 114 N 0.41 4.78 0.36 5.43 1.01 -1.26 -4.47 121.20 127.46 2pqs s ILE 114 Ca 0.49 -1.35 -0.26 0.00 0.00 0.00 0.00 60.65 59.53 2pqs s ILE 114 Cb -0.23 -3.96 -0.09 0.00 0.01 0.00 0.00 42.46 38.20 2pqs s ILE 114 CO 0.29 -0.64 1.09 -0.36 0.00 0.00 0.00 174.94 175.32 2pqs s PHE 115 N 1.53 3.33 -0.06 3.97 0.40 0.60 -4.85 117.98 122.90 2pqs s PHE 115 Ca 0.04 1.65 -0.30 0.00 -0.60 0.00 0.00 56.93 57.72 2pqs s PHE 115 Cb -0.25 -3.23 -0.03 0.00 0.51 0.00 0.00 43.02 40.01 2pqs s PHE 115 CO 0.04 -0.74 1.21 -1.25 0.70 0.00 0.00 175.22 175.18 2pqs s PRO 116 N -2.10 4.34 0.00 0.24 0.04 -1.26 -2.68 135.00 133.58 2pqs s PRO 116 Ca 0.53 1.68 0.00 0.00 0.04 0.00 0.00 61.00 63.25 2pqs s PRO 116 Cb -0.27 -3.57 0.00 0.00 0.04 0.00 0.00 34.50 30.70 2pqs s PRO 116 CO 0.34 -0.47 0.00 0.41 0.04 0.00 0.00 177.00 177.33 2pqs n GLY 117 N 3.39 1.82 3.92 0.56 0.00 0.16 -4.95 105.19 110.09 2pqs n GLY 117 Ca 0.11 -1.73 -0.26 0.00 0.00 0.00 0.00 46.02 44.14 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 -1.00 4.92 0.00 1.61 0.01 -0.77 -4.89 114.94 114.81 2pqs s ASN 118 Ca 0.00 0.55 0.00 0.00 -0.71 0.00 0.00 52.86 52.70 2pqs s ASN 118 Cb 0.00 -1.24 0.00 0.00 0.41 0.00 0.00 41.25 40.42 2pqs s ASN 118 CO 0.00 -1.55 0.54 1.15 -1.51 0.00 0.00 177.10 175.74 2pqs n MET 119 N -2.92 0.34 -2.34 -0.60 0.00 -1.26 -4.30 117.12 106.05 2pqs n MET 119 Ca 0.07 -0.60 -0.02 0.00 0.00 0.00 0.00 57.70 57.16 2pqs n MET 119 Cb 0.60 -0.56 0.01 0.00 0.00 0.00 0.00 33.22 33.27 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 -0.06 -0.74 0.08 3.17 5.68 -1.26 -5.08 116.55 118.34 2pqs n ASP 120 Ca 0.00 -1.42 -0.15 0.00 -0.50 0.00 0.00 54.79 52.71 2pqs n ASP 120 Cb 0.46 1.21 -0.14 0.00 -1.14 0.00 0.00 41.12 41.52 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 0.79 0.37 0.00 -1.12 -1.07 -1.86 -3.34 115.58 109.34 2pqs h ASN 121 Ca -0.11 -0.45 0.00 0.00 0.07 0.00 0.00 56.30 55.81 2pqs h ASN 121 Cb 0.48 -0.12 0.00 0.00 -2.07 0.00 0.00 38.32 36.61 2pqs h ASN 121 CO 0.15 1.36 -0.54 0.59 0.07 0.00 0.00 177.43 179.06 2pqs n ASN 122 N -3.47 1.54 -4.77 6.14 4.13 -1.26 -2.47 115.26 115.10 2pqs n ASN 122 Ca -0.12 -0.39 -0.37 0.00 1.68 0.00 0.00 54.58 55.38 2pqs n ASN 122 Cb 1.03 1.07 -0.02 0.00 -1.54 0.00 0.00 39.78 40.32 2pqs n ASN 122 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 2pqs s SER 123 N -1.77 6.38 0.17 6.41 0.01 -1.26 -4.94 113.70 118.71 2pqs s SER 123 Ca 0.00 2.27 -0.23 0.00 1.31 0.00 0.00 55.95 59.31 2pqs s SER 123 Cb 0.03 -2.60 -0.08 0.00 0.21 0.00 0.00 66.02 63.58 2pqs s SER 123 CO 0.17 -0.77 0.74 -1.00 0.41 0.00 0.00 173.24 172.79 2pqs s HIS 124 N -1.53 3.81 -0.22 2.43 3.76 -1.26 -4.56 115.29 117.73 2pqs s HIS 124 Ca 0.61 1.52 0.01 0.00 -0.15 0.00 0.00 55.06 57.04 2pqs s HIS 124 Cb -0.28 -2.69 0.05 0.00 1.11 0.00 0.00 32.58 30.77 2pqs s HIS 124 CO 0.35 0.47 -0.06 0.21 -0.85 0.00 0.00 174.74 174.85 2pqs s LYS 125 N -1.41 1.69 -0.09 1.40 2.47 -0.76 -4.97 119.74 118.07 2pqs s LYS 125 Ca 0.37 -0.89 -0.02 0.00 -1.56 0.00 0.00 55.97 53.87 2pqs s LYS 125 Cb -0.21 -2.47 -0.03 0.00 -1.46 0.00 0.00 37.83 33.66 2pqs s LYS 125 CO 0.24 -0.54 -0.01 0.21 0.16 0.00 0.00 175.35 175.41 2pqs s LYS 126 N 1.43 3.06 -0.04 4.03 2.20 -1.26 -1.42 119.74 127.73 2pqs s LYS 126 Ca -0.04 -0.44 0.01 0.00 -0.36 0.00 0.00 55.97 55.14 2pqs s LYS 126 Cb -0.18 -2.79 0.02 0.00 -1.51 0.00 0.00 37.83 33.38 2pqs s LYS 126 CO -0.07 0.63 -0.05 -0.80 -0.36 0.00 0.00 175.35 174.70 2pqs s ASN 127 N -0.68 0.94 -0.26 1.43 0.01 0.32 -4.99 114.94 111.72 2pqs s ASN 127 Ca 0.11 -0.13 -0.08 0.00 -0.71 0.00 0.00 52.86 52.04 2pqs s ASN 127 Cb -0.12 -0.45 -0.03 0.00 0.41 0.00 0.00 41.25 41.06 2pqs s ASN 127 CO 0.02 -0.05 0.10 -0.63 -1.51 0.00 0.00 177.10 175.04 2pqs s ILE 128 N 0.88 4.54 0.19 0.60 -1.09 -1.26 -0.70 121.20 124.36 2pqs s ILE 128 Ca -0.12 -0.14 -0.31 0.00 -2.23 0.00 0.00 60.65 57.86 2pqs s ILE 128 Cb -0.14 -3.15 -0.10 0.00 -1.58 0.00 0.00 42.46 37.48 2pqs s ILE 128 CO 0.00 0.29 1.55 -0.36 -1.23 0.00 0.00 174.94 175.19 2pqs s PHE 129 N 1.64 3.02 0.34 3.97 2.99 0.10 -4.87 117.98 125.17 2pqs s PHE 129 Ca 0.06 0.71 0.02 0.00 0.00 0.00 0.00 56.93 57.72 2pqs s PHE 129 Cb -0.15 -3.92 0.59 0.00 0.00 0.00 0.00 43.02 39.53 2pqs s PHE 129 CO 0.05 -3.31 1.98 0.93 -0.00 0.00 0.00 175.22 174.88 2pqs h GLU 130 N 6.27 0.84 -3.98 0.44 5.08 -1.95 -3.34 114.58 117.93 2pqs h GLU 130 Ca -0.44 -0.07 -0.64 0.00 -1.00 0.00 0.00 59.36 57.21 2pqs h GLU 130 Cb 1.21 -0.18 -0.40 0.00 0.50 0.00 0.00 28.75 29.87 2pqs h GLU 130 CO 0.88 0.59 -0.69 0.99 -1.00 0.00 0.00 179.01 179.77 2pqs s THR 131 N -5.66 2.18 0.88 1.13 2.01 -1.26 -5.03 115.64 109.89 2pqs s THR 131 Ca -0.10 -2.62 -0.11 0.00 0.31 0.00 0.00 61.69 59.18 2pqs s THR 131 Cb 0.17 -2.57 0.13 0.00 0.01 0.00 0.00 72.50 70.24 2pqs s THR 131 CO 0.77 -0.70 1.15 -2.16 -0.69 0.00 0.00 174.62 172.99 2pqs s PRO 132 N 0.51 1.24 0.25 4.92 0.04 -1.25 -5.04 135.00 135.67 2pqs s PRO 132 Ca 0.14 1.53 0.01 0.00 0.04 0.00 0.00 61.00 62.72 2pqs s PRO 132 Cb -0.22 -1.75 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 2pqs s PRO 132 CO -0.06 -2.46 0.15 -0.59 0.04 0.00 0.00 177.00 174.08 2pqs s PHE 133 N -2.62 1.39 -0.04 0.56 -0.12 -0.88 -4.99 117.98 111.29 2pqs s PHE 133 Ca 0.67 -1.39 0.06 0.00 -0.05 0.00 0.00 56.93 56.23 2pqs s PHE 133 Cb -0.23 -0.70 -0.01 0.00 -0.63 0.00 0.00 43.02 41.45 2pqs s PHE 133 CO 0.57 -0.60 -0.24 -0.65 -0.05 0.00 0.00 175.22 174.25 2pqs s GLN 134 N -3.97 2.18 -0.13 1.99 -0.21 -1.26 0.51 119.66 118.77 2pqs s GLN 134 Ca 0.38 -0.84 -0.32 0.00 0.02 0.00 0.00 55.36 54.59 2pqs s GLN 134 Cb 0.06 -1.96 0.13 0.00 1.00 0.00 0.00 33.01 32.24 2pqs s GLN 134 CO 0.16 0.42 1.09 0.00 -2.12 0.00 0.00 175.29 174.84 2pqs s ALA 135 N -0.31 -1.98 -0.13 6.09 0.00 -0.71 -4.83 121.76 119.89 2pqs s ALA 135 Ca 0.02 1.41 0.10 0.00 0.00 0.00 0.00 51.96 53.50 2pqs s ALA 135 Cb -0.11 -0.03 -0.23 0.00 0.00 0.00 0.00 23.12 22.74 2pqs s ALA 135 CO 0.01 -0.59 0.32 -2.13 0.00 0.00 0.00 175.76 173.37 2pqs n ARG 136 N -0.06 0.67 -4.83 0.00 0.63 -0.73 -2.21 116.66 110.14 2pqs n ARG 136 Ca -0.03 0.17 -0.33 0.00 -0.92 0.00 0.00 57.85 56.74 2pqs n ARG 136 Cb 0.59 -1.66 -0.13 0.00 0.45 0.00 0.00 32.46 31.72 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 -2.55 2.76 -0.04 -0.14 0.40 -0.81 0.26 117.98 117.87 2pqs s PHE 137 Ca -0.13 -0.18 0.01 0.00 -0.60 0.00 0.00 56.93 56.04 2pqs s PHE 137 Cb 0.07 -1.67 0.02 0.00 0.51 0.00 0.00 43.02 41.95 2pqs s PHE 137 CO 0.79 0.16 -0.05 0.08 0.70 0.00 0.00 175.22 176.90 2pqs s VAL 138 N -0.61 0.58 -0.06 -0.44 1.01 -0.45 -2.10 120.40 118.33 2pqs s VAL 138 Ca 0.09 -0.18 0.05 0.00 0.00 0.00 0.00 61.98 61.94 2pqs s VAL 138 Cb -0.11 -0.57 -0.02 0.00 0.00 0.00 0.00 36.38 35.68 2pqs s VAL 138 CO 0.01 0.22 -0.22 -0.13 0.00 0.00 0.00 175.10 174.98 2pqs s ARG 139 N 0.69 2.56 -0.24 2.72 0.52 0.82 -0.43 118.95 125.58 2pqs s ARG 139 Ca -0.09 -0.85 -0.07 0.00 -0.52 0.00 0.00 55.73 54.20 2pqs s ARG 139 Cb -0.13 -2.23 -0.03 0.00 0.52 0.00 0.00 34.95 33.09 2pqs s ARG 139 CO 0.00 0.43 0.05 0.42 0.02 0.00 0.00 175.30 176.23 2pqs s ILE 140 N -0.28 4.19 -0.41 1.52 1.01 -0.06 -1.29 121.20 125.88 2pqs s ILE 140 Ca 0.00 -0.21 -0.04 0.00 0.00 0.00 0.00 60.65 60.40 2pqs s ILE 140 Cb -0.13 -2.95 0.11 0.00 0.01 0.00 0.00 42.46 39.50 2pqs s ILE 140 CO 0.03 0.36 0.22 -1.10 0.00 0.00 0.00 174.94 174.44 2pqs s GLN 141 N 1.55 2.15 0.28 2.79 -0.21 -0.06 -1.61 119.66 124.55 2pqs s GLN 141 Ca 0.06 -1.75 -0.30 0.00 0.02 0.00 0.00 55.36 53.38 2pqs s GLN 141 Cb -0.15 -3.63 -0.12 0.00 1.00 0.00 0.00 33.01 30.11 2pqs s GLN 141 CO 0.03 -1.06 1.64 -0.35 -2.12 0.00 0.00 175.29 173.42 2pqs n PRO 142 N 4.67 2.76 -0.09 2.91 -0.04 -1.26 -0.56 135.00 143.40 2pqs n PRO 142 Ca -0.04 0.98 -0.15 0.00 -0.04 0.00 0.00 63.50 64.25 2pqs n PRO 142 Cb 0.41 -2.79 -0.08 0.00 -0.04 0.00 0.00 33.50 31.00 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 2.53 1.04 -4.04 0.52 0.31 0.76 -4.81 118.33 114.65 2pqs n VAL 143 Ca 0.10 -0.37 -0.12 0.00 -0.01 0.00 0.00 64.34 63.94 2pqs n VAL 143 Cb 0.37 -1.29 -0.12 0.00 -0.91 0.00 0.00 33.84 31.88 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 -2.36 0.40 0.13 3.52 0.00 -1.06 -4.96 121.76 117.43 2pqs s ALA 144 Ca -0.25 -0.59 -0.10 0.00 0.00 0.00 0.00 51.96 51.01 2pqs s ALA 144 Cb 0.07 0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.24 2pqs s ALA 144 CO 0.40 -0.03 0.27 1.67 0.00 0.00 0.00 175.76 178.07 2pqs s TRP 145 N -1.13 0.17 -0.31 0.00 -2.14 -1.26 -0.84 118.94 113.43 2pqs s TRP 145 Ca -0.09 -0.56 -0.08 0.00 2.66 0.00 0.00 56.10 58.03 2pqs s TRP 145 Cb -0.08 0.01 0.01 0.00 -3.10 0.00 0.00 33.47 30.31 2pqs s TRP 145 CO -0.00 -0.65 0.12 -1.58 -2.66 0.00 0.00 176.95 172.18 2pqs s HIS 146 N -3.89 3.18 0.00 1.66 5.65 0.08 -4.80 115.29 117.17 2pqs s HIS 146 Ca 0.09 -0.89 0.00 0.00 0.25 0.00 0.00 55.06 54.51 2pqs s HIS 146 Cb 0.04 -2.31 0.00 0.00 -1.18 0.00 0.00 32.58 29.13 2pqs s HIS 146 CO -0.07 -0.56 0.00 0.09 -0.65 0.00 0.00 174.74 173.55 2pqs n ASN 147 N 4.91 0.00 -3.76 9.88 3.02 -1.26 -2.81 115.26 125.25 2pqs n ASN 147 Ca -0.14 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.31 2pqs n ASN 147 Cb 0.48 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.58 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 0.88 -0.51 3.52 0.52 -1.26 -5.05 118.95 117.05 2pqs s ARG 148 Ca 0.00 -0.70 -0.28 0.00 -0.52 0.00 0.00 55.73 54.22 2pqs s ARG 148 Cb 0.00 0.38 0.02 0.00 0.52 0.00 0.00 34.95 35.87 2pqs s ARG 148 CO 0.00 -0.30 1.28 0.42 0.02 0.00 0.00 175.30 176.72 2pqs s ILE 149 N -3.27 3.99 -0.02 1.52 1.01 -1.26 -3.15 121.20 120.01 2pqs s ILE 149 Ca 0.00 0.94 0.01 0.00 0.00 0.00 0.00 60.65 61.60 2pqs s ILE 149 Cb 0.02 -4.51 0.02 0.00 0.01 0.00 0.00 42.46 38.00 2pqs s ILE 149 CO -0.08 -1.08 -0.01 -0.89 0.00 0.00 0.00 174.94 172.89 2pqs s THR 150 N 5.19 0.17 0.03 2.92 2.01 -1.26 -2.47 115.64 122.23 2pqs s THR 150 Ca 0.51 0.02 -0.01 0.00 0.31 0.00 0.00 61.69 62.52 2pqs s THR 150 Cb -0.09 -0.23 -0.03 0.00 0.01 0.00 0.00 72.50 72.16 2pqs s THR 150 CO 0.29 0.11 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.56 2pqs s LEU 151 N 0.63 2.26 -0.05 4.42 1.43 -0.17 -3.52 118.68 123.69 2pqs s LEU 151 Ca -0.06 -0.66 -0.02 0.00 -1.03 0.00 0.00 54.13 52.35 2pqs s LEU 151 Cb -0.09 0.20 0.03 0.00 0.03 0.00 0.00 46.19 46.36 2pqs s LEU 151 CO -0.01 -0.42 0.08 -0.13 0.23 0.00 0.00 176.35 176.10 2pqs s ARG 152 N -2.39 -0.04 0.25 1.70 0.52 -0.87 -1.60 118.95 116.51 2pqs s ARG 152 Ca -0.07 0.40 0.07 0.00 -0.52 0.00 0.00 55.73 55.61 2pqs s ARG 152 Cb -0.03 -0.41 -0.05 0.00 0.52 0.00 0.00 34.95 34.97 2pqs s ARG 152 CO -0.04 -0.30 -0.10 0.08 0.02 0.00 0.00 175.30 174.96 2pqs s VAL 153 N 2.04 1.72 -0.14 3.52 1.01 0.11 -1.29 120.40 127.36 2pqs s VAL 153 Ca 0.02 -2.17 -0.10 0.00 0.00 0.00 0.00 61.98 59.74 2pqs s VAL 153 Cb -0.12 -2.28 0.05 0.00 0.00 0.00 0.00 36.38 34.03 2pqs s VAL 153 CO -0.04 -0.42 0.36 -0.70 0.00 0.00 0.00 175.10 174.30 2pqs s GLU 154 N -3.68 0.36 -0.09 2.72 2.56 -0.58 -1.25 118.70 118.75 2pqs s GLU 154 Ca 0.27 0.64 -0.02 0.00 0.00 0.00 0.00 54.97 55.85 2pqs s GLU 154 Cb 0.02 0.04 -0.03 0.00 2.00 0.00 0.00 34.13 36.15 2pqs s GLU 154 CO 0.10 -0.12 0.02 -0.51 -0.56 0.00 0.00 175.26 174.19 2pqs s LEU 155 N 0.95 3.67 0.01 2.70 1.02 -1.26 -1.14 118.68 124.63 2pqs s LEU 155 Ca -0.06 0.18 0.05 0.00 0.02 0.00 0.00 54.13 54.31 2pqs s LEU 155 Cb -0.07 -1.86 -0.03 0.00 0.02 0.00 0.00 46.19 44.26 2pqs s LEU 155 CO -0.07 0.38 -0.11 -0.76 0.02 0.00 0.00 176.35 175.80 2pqs s LEU 156 N -0.92 2.93 0.00 1.79 1.43 -0.59 0.23 118.68 123.55 2pqs s LEU 156 Ca 0.14 -0.24 0.00 0.00 -1.03 0.00 0.00 54.13 52.99 2pqs s LEU 156 Cb -0.11 -1.69 0.00 0.00 0.03 0.00 0.00 46.19 44.42 2pqs s LEU 156 CO 0.03 0.28 0.00 0.61 0.23 0.00 0.00 176.35 177.50 2pqs n GLY 157 N 1.65 -0.73 0.00 -3.19 0.00 -0.13 -0.15 105.19 102.64 2pqs n GLY 157 Ca -0.16 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2pqs n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32