#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 0.00 -0.22 -3.78 0.00 -1.04 -1.18 -4.85 114.28 103.21 2pqs n THR 2 Ca 0.00 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.70 2pqs n THR 2 Cb 0.00 -1.92 -0.04 0.00 -1.82 0.00 0.00 70.33 66.55 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 -3.81 3.54 0.21 -2.82 2.02 0.02 -4.58 118.70 113.28 2pqs s GLU 3 Ca 0.00 -0.24 -0.32 0.00 0.02 0.00 0.00 54.97 54.43 2pqs s GLU 3 Cb 0.00 -2.93 -0.12 0.00 0.10 0.00 0.00 34.13 31.18 2pqs s GLU 3 CO 0.00 0.53 1.71 -2.14 0.02 0.00 0.00 175.26 175.38 2pqs s PRO 4 N -2.61 4.13 0.00 0.39 0.02 -1.26 -0.45 135.00 135.22 2pqs s PRO 4 Ca 0.38 2.59 0.21 0.00 0.02 0.00 0.00 61.00 64.21 2pqs s PRO 4 Cb -0.12 -3.08 0.87 0.00 0.02 0.00 0.00 34.50 32.18 2pqs s PRO 4 CO 0.26 -0.74 1.61 1.28 -0.33 0.00 0.00 177.00 179.08 2pqs n LEU 5 N 3.95 1.29 0.00 -5.54 4.77 0.76 -4.88 117.00 117.34 2pqs n LEU 5 Ca 0.16 -0.53 0.00 0.00 -0.03 0.00 0.00 56.01 55.61 2pqs n LEU 5 Cb 0.35 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 2pqs n LEU 5 CO 0.64 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.57 2pqs n GLY 6 N 1.06 1.40 0.06 -0.72 0.00 -1.26 -4.70 105.19 101.03 2pqs n GLY 6 Ca 0.16 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.13 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 0.00 -0.16 0.99 3.38 -1.90 -0.94 115.31 116.68 2pqs h LEU 7 Ca 0.00 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.64 2pqs h LEU 7 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2pqs h LEU 7 CO 0.00 0.69 0.10 0.50 0.09 0.00 0.00 178.44 179.82 2pqs h LYS 8 N -1.00 0.21 -0.02 1.13 3.64 -1.80 -2.68 116.57 116.05 2pqs h LYS 8 Ca -0.01 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2pqs h LYS 8 Cb 0.37 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 2pqs h LYS 8 CO -0.00 0.14 0.00 -0.40 -2.27 0.00 0.00 179.45 176.92 2pqs n ASP 9 N -4.98 0.10 -1.01 4.20 5.68 -1.26 -4.88 116.55 114.39 2pqs n ASP 9 Ca -0.04 -1.90 -0.13 0.00 -0.50 0.00 0.00 54.79 52.22 2pqs n ASP 9 Cb 0.03 -0.01 -0.06 0.00 -1.14 0.00 0.00 41.12 39.94 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 -0.50 -5.55 -0.02 -1.12 4.13 -1.01 -4.85 115.26 106.34 2pqs n ASN 10 Ca 0.03 0.33 0.02 0.00 1.68 0.00 0.00 54.58 56.63 2pqs n ASN 10 Cb 0.03 -4.21 0.35 0.00 -1.54 0.00 0.00 39.78 34.40 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 1.16 -3.42 3.41 2.02 -1.63 -3.38 112.91 111.07 2pqs h THR 11 Ca -0.27 -0.48 -0.60 0.00 0.77 0.00 0.00 66.41 65.83 2pqs h THR 11 Cb 1.18 0.66 -0.10 0.00 -1.74 0.00 0.00 68.15 68.14 2pqs h THR 11 CO 0.40 0.19 0.31 -0.63 0.37 0.00 0.00 175.52 176.16 2pqs s ILE 12 N -5.29 4.88 0.79 3.11 1.01 -0.43 -5.04 121.20 120.22 2pqs s ILE 12 Ca -0.08 1.22 -0.12 0.00 0.00 0.00 0.00 60.65 61.67 2pqs s ILE 12 Cb 0.17 -4.05 0.07 0.00 0.01 0.00 0.00 42.46 38.65 2pqs s ILE 12 CO 0.75 -0.10 1.14 -2.16 0.00 0.00 0.00 174.94 174.57 2pqs s PRO 13 N 2.74 1.94 0.18 2.79 0.04 -1.26 -4.90 135.00 136.53 2pqs s PRO 13 Ca 0.30 1.47 -0.14 0.00 0.04 0.00 0.00 61.00 62.67 2pqs s PRO 13 Cb -0.15 -1.84 0.12 0.00 0.04 0.00 0.00 34.50 32.67 2pqs s PRO 13 CO 0.10 -1.93 1.78 -0.91 0.04 0.00 0.00 177.00 176.08 2pqs h ASN 14 N -0.96 0.35 -0.21 6.66 2.35 -1.92 -2.16 115.58 119.69 2pqs h ASN 14 Ca -0.45 0.03 0.06 0.00 -0.55 0.00 0.00 56.30 55.39 2pqs h ASN 14 Cb 1.26 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 39.58 2pqs h ASN 14 CO 0.48 0.25 0.30 0.07 -1.65 0.00 0.00 177.43 176.88 2pqs h LYS 15 N 0.48 0.00 -0.01 0.81 2.10 -2.00 0.35 116.57 118.30 2pqs h LYS 15 Ca 0.21 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.86 2pqs h LYS 15 Cb 0.12 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.45 2pqs h LYS 15 CO -0.15 0.00 0.00 1.04 -2.00 0.00 0.00 179.45 178.34 2pqs n GLN 16 N -3.53 1.34 -4.09 0.07 6.02 -0.81 -4.71 117.38 111.67 2pqs n GLN 16 Ca 0.02 -0.49 -0.33 0.00 -0.01 0.00 0.00 57.00 56.20 2pqs n GLN 16 Cb 0.42 -1.49 -0.16 0.00 1.02 0.00 0.00 30.24 30.04 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 -2.00 2.17 0.39 5.09 1.01 0.11 -0.35 121.20 127.62 2pqs s ILE 17 Ca 0.43 -1.16 0.04 0.00 0.00 0.00 0.00 60.65 59.95 2pqs s ILE 17 Cb 0.21 -2.04 -0.03 0.00 0.01 0.00 0.00 42.46 40.61 2pqs s ILE 17 CO 0.35 0.33 0.12 0.42 0.00 0.00 0.00 174.94 176.17 2pqs s THR 18 N 1.23 0.65 0.20 2.92 -4.23 -0.28 -4.09 115.64 112.04 2pqs s THR 18 Ca 0.00 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.34 2pqs s THR 18 Cb -0.16 -2.42 0.02 0.00 1.34 0.00 0.00 72.50 71.29 2pqs s THR 18 CO -0.10 0.00 0.52 0.00 -0.54 0.00 0.00 174.62 174.50 2pqs s ALA 19 N -3.26 -0.87 0.43 3.99 0.00 -1.26 0.37 121.76 121.16 2pqs s ALA 19 Ca 0.26 -0.29 0.11 0.00 0.00 0.00 0.00 51.96 52.04 2pqs s ALA 19 Cb 0.04 0.87 0.97 0.00 0.00 0.00 0.00 23.12 24.99 2pqs s ALA 19 CO 0.15 -0.81 2.04 0.66 0.00 0.00 0.00 175.76 177.80 2pqs h SER 20 N 2.21 0.38 -5.80 0.00 4.64 -1.62 -3.46 113.55 109.89 2pqs h SER 20 Ca -0.28 -0.00 0.33 0.00 -0.47 0.00 0.00 61.79 61.37 2pqs h SER 20 Cb 1.26 -0.09 -0.11 0.00 -0.31 0.00 0.00 62.40 63.15 2pqs h SER 20 CO 0.37 0.26 0.85 -0.94 -0.87 0.00 0.00 176.83 176.50 2pqs s SER 21 N -6.57 -0.04 0.07 4.97 1.04 -1.26 -5.00 113.70 106.90 2pqs s SER 21 Ca -0.08 -0.14 -0.10 0.00 0.48 0.00 0.00 55.95 56.11 2pqs s SER 21 Cb 0.18 0.15 0.01 0.00 0.10 0.00 0.00 66.02 66.46 2pqs s SER 21 CO 0.73 -0.29 0.22 -0.72 0.98 0.00 0.00 173.24 174.17 2pqs s TYR 22 N -2.33 0.06 0.23 5.02 -0.85 -1.26 -4.01 117.35 114.21 2pqs s TYR 22 Ca 0.17 -0.36 -0.10 0.00 -0.52 0.00 0.00 57.07 56.25 2pqs s TYR 22 Cb 0.04 -0.01 -0.07 0.00 0.38 0.00 0.00 41.96 42.30 2pqs s TYR 22 CO -0.04 -0.51 0.56 -0.47 -1.52 0.00 0.00 175.55 173.58 2pqs s TYR 23 N -3.22 3.42 -0.17 -3.49 5.04 0.21 -3.64 117.35 115.51 2pqs s TYR 23 Ca -0.00 0.90 -0.00 0.00 -2.44 0.00 0.00 57.07 55.52 2pqs s TYR 23 Cb 0.02 -2.28 0.04 0.00 0.35 0.00 0.00 41.96 40.09 2pqs s TYR 23 CO -0.07 0.26 -0.06 0.15 -1.34 0.00 0.00 175.55 174.48 2pqs s LYS 24 N -2.82 1.53 0.11 4.97 1.02 -1.26 0.57 119.74 123.85 2pqs s LYS 24 Ca 0.48 -0.57 -0.31 0.00 0.02 0.00 0.00 55.97 55.59 2pqs s LYS 24 Cb -0.11 -2.08 -0.09 0.00 -0.52 0.00 0.00 37.83 35.03 2pqs s LYS 24 CO 0.21 -0.43 1.62 0.99 -0.92 0.00 0.00 175.35 176.82 2pqs s THR 25 N 1.59 2.86 -1.89 2.17 2.01 -0.52 -1.59 115.64 120.29 2pqs s THR 25 Ca 0.00 0.46 0.00 0.00 0.31 0.00 0.00 61.69 62.47 2pqs s THR 25 Cb -0.15 -3.30 0.00 0.00 0.01 0.00 0.00 72.50 69.06 2pqs s THR 25 CO -0.08 0.01 0.00 0.79 -0.69 0.00 0.00 174.62 174.66 2pqs n TRP 26 N 4.94 -0.02 -1.07 4.92 8.01 -1.26 -2.02 117.44 130.95 2pqs n TRP 26 Ca 0.15 0.00 -0.02 0.00 -1.31 0.00 0.00 57.50 56.32 2pqs n TRP 26 Cb 0.40 -3.06 -0.01 0.00 -2.01 0.00 0.00 31.31 26.63 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 -0.79 0.40 3.66 6.99 0.00 -0.62 -4.97 105.19 109.86 2pqs n GLY 27 Ca -0.18 -0.07 -0.40 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.52 4.16 0.55 0.99 1.43 -0.85 -4.95 118.68 119.48 2pqs s LEU 28 Ca 0.00 0.83 0.26 0.00 -1.03 0.00 0.00 54.13 54.19 2pqs s LEU 28 Cb 0.00 -2.88 1.44 0.00 0.03 0.00 0.00 46.19 44.78 2pqs s LEU 28 CO 0.00 -0.25 2.00 -1.28 0.23 0.00 0.00 176.35 177.06 2pqs h SER 29 N 7.42 0.00 1.22 2.29 0.87 -1.93 0.89 113.55 124.31 2pqs h SER 29 Ca -0.32 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.20 2pqs h SER 29 Cb 1.15 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.10 2pqs h SER 29 CO 0.77 0.00 -0.18 0.00 -0.53 0.00 0.00 176.83 176.89 2pqs h ALA 30 N 1.72 0.96 -0.95 6.23 0.00 -1.94 -3.09 119.26 122.18 2pqs h ALA 30 Ca 0.22 -0.16 -0.65 0.00 0.00 0.00 0.00 54.91 54.32 2pqs h ALA 30 Cb 0.93 -0.03 -0.33 0.00 0.00 0.00 0.00 17.79 18.36 2pqs h ALA 30 CO -0.00 0.22 0.34 1.19 0.00 0.00 0.00 179.25 181.00 2pqs n PHE 31 N -3.25 3.09 -2.75 0.00 3.72 0.31 -4.99 117.46 113.58 2pqs n PHE 31 Ca 0.01 -2.75 -0.41 0.00 -0.05 0.00 0.00 57.45 54.26 2pqs n PHE 31 Cb 0.46 -1.06 -0.04 0.00 -0.94 0.00 0.00 39.48 37.91 2pqs n PHE 31 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2pqs s SER 32 N -2.34 7.45 -1.23 4.37 0.01 -1.17 -1.43 113.70 119.35 2pqs s SER 32 Ca 0.59 1.74 -0.09 0.00 1.31 0.00 0.00 55.95 59.50 2pqs s SER 32 Cb 0.47 -2.57 0.19 0.00 0.21 0.00 0.00 66.02 64.32 2pqs s SER 32 CO -0.04 -0.08 1.71 0.79 0.41 0.00 0.00 173.24 176.02 2pqs n TRP 33 N 2.94 3.28 -1.60 2.43 7.02 0.19 -4.98 117.44 126.73 2pqs n TRP 33 Ca 0.02 -2.90 -0.41 0.00 -1.02 0.00 0.00 57.50 53.19 2pqs n TRP 33 Cb 0.50 -1.87 0.02 0.00 -2.42 0.00 0.00 31.31 27.53 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 3.74 1.00 0.14 -5.99 0.99 -1.26 -3.24 117.46 112.84 2pqs n PHE 34 Ca 0.37 0.54 0.07 0.00 -0.00 0.00 0.00 57.45 58.42 2pqs n PHE 34 Cb 0.37 -2.20 0.55 0.00 -1.00 0.00 0.00 39.48 37.20 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 1.34 0.22 -0.08 -1.08 0.13 -1.88 -1.67 132.00 128.97 2pqs h PRO 35 Ca -0.45 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2pqs h PRO 35 Cb 1.35 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2pqs h PRO 35 CO 0.56 0.15 0.00 2.48 -0.23 0.00 0.00 178.00 180.95 2pqs n TYR 36 N -4.51 0.00 0.98 1.56 0.18 -1.26 -2.13 117.16 111.98 2pqs n TYR 36 Ca 0.00 0.00 0.10 0.00 1.88 0.00 0.00 57.90 59.88 2pqs n TYR 36 Cb 0.10 -0.01 -0.07 0.00 -0.38 0.00 0.00 39.34 38.99 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 -0.44 0.00 -0.69 -3.48 0.53 -0.63 -4.59 117.16 107.86 2pqs n TYR 37 Ca 0.00 0.00 -0.08 0.00 -1.02 0.00 0.00 57.90 56.80 2pqs n TYR 37 Cb 0.02 0.00 -0.11 0.00 -1.03 0.00 0.00 39.34 38.22 2pqs n TYR 37 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 2pqs n ALA 38 N -0.82 4.79 -2.80 -0.72 0.00 -0.90 -3.41 120.51 116.64 2pqs n ALA 38 Ca 0.06 -1.16 -0.36 0.00 0.00 0.00 0.00 53.44 51.98 2pqs n ALA 38 Cb 0.39 -2.14 -0.08 0.00 0.00 0.00 0.00 19.45 17.62 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 1.34 3.57 0.18 0.00 0.52 -1.26 0.35 118.95 123.65 2pqs s ARG 39 Ca 0.43 -0.26 -0.33 0.00 -0.52 0.00 0.00 55.73 55.04 2pqs s ARG 39 Cb 0.20 -3.13 -0.15 0.00 0.52 0.00 0.00 34.95 32.39 2pqs s ARG 39 CO 0.00 0.57 1.35 -0.11 0.02 0.00 0.00 175.30 177.13 2pqs n LEU 40 N 2.62 2.37 -0.83 2.53 7.94 -0.15 -1.62 117.00 129.87 2pqs n LEU 40 Ca -0.18 1.13 -0.11 0.00 -1.11 0.00 0.00 56.01 55.74 2pqs n LEU 40 Cb 0.54 -1.32 -0.05 0.00 0.53 0.00 0.00 43.42 43.12 2pqs n LEU 40 CO 0.32 -0.80 -0.10 0.47 -1.11 0.00 0.00 177.39 176.18 2pqs n ASP 41 N 2.40 -5.02 -4.72 1.96 8.00 -1.26 -4.56 116.55 113.36 2pqs n ASP 41 Ca 0.15 0.27 -0.42 0.00 0.71 0.00 0.00 54.79 55.49 2pqs n ASP 41 Cb 0.27 -3.47 -0.03 0.00 -0.02 0.00 0.00 41.12 37.87 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 -2.57 6.39 0.17 -2.24 3.04 -0.64 -4.99 114.94 114.10 2pqs s ASN 42 Ca 0.00 2.85 0.05 0.00 0.04 0.00 0.00 52.86 55.79 2pqs s ASN 42 Cb 0.00 -2.60 -0.04 0.00 -1.54 0.00 0.00 41.25 37.08 2pqs s ASN 42 CO 0.00 -0.97 0.16 -1.10 -3.04 0.00 0.00 177.10 172.15 2pqs s GLN 43 N 1.27 2.97 0.00 0.43 -1.52 -1.26 -4.87 119.66 116.68 2pqs s GLN 43 Ca 0.75 -0.85 0.00 0.00 -1.95 0.00 0.00 55.36 53.31 2pqs s GLN 43 Cb -0.49 -2.68 0.00 0.00 -0.22 0.00 0.00 33.01 29.62 2pqs s GLN 43 CO 0.32 0.48 0.00 0.41 -0.25 0.00 0.00 175.29 176.26 2pqs n GLY 44 N -0.42 0.68 0.04 3.09 0.00 -1.26 -4.75 105.19 102.57 2pqs n GLY 44 Ca -0.08 -2.08 0.07 0.00 0.00 0.00 0.00 46.02 43.93 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 0.00 0.66 -3.04 1.61 5.02 -1.26 -4.38 118.16 116.77 2pqs n LYS 45 Ca 0.00 -0.11 -0.22 0.00 -2.02 0.00 0.00 58.31 55.96 2pqs n LYS 45 Cb 0.00 -1.56 -0.03 0.00 -0.02 0.00 0.00 35.03 33.41 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 -2.42 1.91 -0.54 2.13 3.01 -1.26 -4.95 117.46 115.33 2pqs n PHE 46 Ca -0.09 -3.83 -0.16 0.00 1.01 0.00 0.00 57.45 54.38 2pqs n PHE 46 Cb 0.69 -0.44 0.08 0.00 -0.01 0.00 0.00 39.48 39.81 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 0.03 4.61 -3.71 4.37 6.94 -1.26 -4.85 115.26 121.39 2pqs n ASN 47 Ca 0.27 -3.03 -0.02 0.00 -0.02 0.00 0.00 54.58 51.78 2pqs n ASN 47 Cb 0.56 -0.82 -0.01 0.00 -2.36 0.00 0.00 39.78 37.14 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 -2.02 -1.84 -0.06 -2.53 0.00 -1.22 -4.67 121.76 109.41 2pqs s ALA 48 Ca 0.35 0.33 -0.15 0.00 0.00 0.00 0.00 51.96 52.49 2pqs s ALA 48 Cb 0.28 0.54 -0.05 0.00 0.00 0.00 0.00 23.12 23.89 2pqs s ALA 48 CO 0.04 -1.03 0.40 -0.46 0.00 0.00 0.00 175.76 174.71 2pqs s TRP 49 N -3.01 3.63 -0.05 0.00 -0.00 -0.85 -4.19 118.94 114.47 2pqs s TRP 49 Ca 0.13 0.89 -0.01 0.00 -0.00 0.00 0.00 56.10 57.11 2pqs s TRP 49 Cb 0.01 -2.36 0.03 0.00 -0.00 0.00 0.00 33.47 31.14 2pqs s TRP 49 CO 0.00 0.46 0.00 0.99 -0.00 0.00 0.00 176.95 178.40 2pqs s THR 50 N -0.38 0.27 0.71 5.86 2.01 -1.20 -0.86 115.64 122.04 2pqs s THR 50 Ca 0.23 0.12 -0.16 0.00 0.31 0.00 0.00 61.69 62.19 2pqs s THR 50 Cb -0.16 -0.41 0.02 0.00 0.01 0.00 0.00 72.50 71.97 2pqs s THR 50 CO 0.11 0.21 1.26 0.00 -0.69 0.00 0.00 174.62 175.51 2pqs s ALA 51 N 1.60 2.17 0.16 7.40 0.00 -0.78 0.68 121.76 132.99 2pqs s ALA 51 Ca -0.01 1.06 -0.13 0.00 0.00 0.00 0.00 51.96 52.88 2pqs s ALA 51 Cb -0.13 -3.53 0.05 0.00 0.00 0.00 0.00 23.12 19.52 2pqs s ALA 51 CO -0.03 -1.85 1.71 0.37 0.00 0.00 0.00 175.76 175.96 2pqs h GLN 52 N -0.01 0.83 -5.61 0.00 4.15 -1.69 -3.31 115.11 109.46 2pqs h GLN 52 Ca -0.49 -0.16 -0.46 0.00 0.77 0.00 0.00 58.65 58.31 2pqs h GLN 52 Cb 1.32 -0.13 -0.16 0.00 0.21 0.00 0.00 27.48 28.72 2pqs h GLN 52 CO 0.50 0.73 -0.75 -0.08 -1.93 0.00 0.00 178.83 177.31 2pqs s THR 53 N -5.51 1.69 -1.12 2.39 -1.32 -1.26 -4.79 115.64 105.71 2pqs s THR 53 Ca -0.13 -2.08 -0.09 0.00 -1.21 0.00 0.00 61.69 58.18 2pqs s THR 53 Cb 0.12 -1.93 0.27 0.00 -1.51 0.00 0.00 72.50 69.45 2pqs s THR 53 CO 0.79 -0.52 1.16 0.59 -2.21 0.00 0.00 174.62 174.43 2pqs n ASN 54 N -0.12 5.55 -4.70 8.08 3.02 -1.26 -4.90 115.26 120.92 2pqs n ASN 54 Ca -0.10 -3.05 -0.28 0.00 -0.03 0.00 0.00 54.58 51.12 2pqs n ASN 54 Cb 0.59 -1.39 -0.09 0.00 -0.61 0.00 0.00 39.78 38.29 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 1.27 4.14 0.00 6.41 1.04 -1.26 -5.03 113.70 120.27 2pqs s SER 55 Ca 0.32 -1.33 0.29 0.00 0.48 0.00 0.00 55.95 55.70 2pqs s SER 55 Cb -0.09 -0.19 1.22 0.00 0.10 0.00 0.00 66.02 67.06 2pqs s SER 55 CO -0.07 -0.60 1.86 0.00 0.98 0.00 0.00 173.24 175.41 2pqs n ALA 56 N -1.16 2.76 -0.64 5.32 0.00 -1.26 -3.74 120.51 121.78 2pqs n ALA 56 Ca -0.06 -0.26 0.08 0.00 0.00 0.00 0.00 53.44 53.20 2pqs n ALA 56 Cb 0.66 -1.34 0.31 0.00 0.00 0.00 0.00 19.45 19.08 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 -0.99 4.36 -4.84 0.00 3.41 -1.26 -4.89 113.62 109.40 2pqs n SER 57 Ca 0.14 -2.52 -0.31 0.00 -0.26 0.00 0.00 58.87 55.91 2pqs n SER 57 Cb 0.28 -0.52 0.01 0.00 -0.26 0.00 0.00 64.21 63.72 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 -1.97 3.46 0.01 4.33 0.41 -1.25 -4.96 118.70 118.73 2pqs s GLU 58 Ca 0.45 0.91 -0.26 0.00 -0.41 0.00 0.00 54.97 55.66 2pqs s GLU 58 Cb 0.30 -2.06 0.06 0.00 -1.78 0.00 0.00 34.13 30.65 2pqs s GLU 58 CO 0.19 -0.68 0.59 1.67 -0.49 0.00 0.00 175.26 176.55 2pqs s TRP 59 N -2.92 -0.54 -0.18 1.61 1.48 -1.26 -4.24 118.94 112.89 2pqs s TRP 59 Ca 0.58 0.77 0.00 0.00 -1.06 0.00 0.00 56.10 56.39 2pqs s TRP 59 Cb -0.12 0.38 0.01 0.00 -1.16 0.00 0.00 33.47 32.58 2pqs s TRP 59 CO 0.47 -0.63 -0.17 -1.17 -4.06 0.00 0.00 176.95 171.39 2pqs s LEU 60 N -1.61 2.30 -0.12 -4.66 2.96 -0.50 -1.46 118.68 115.60 2pqs s LEU 60 Ca -0.08 -0.57 -0.01 0.00 -0.22 0.00 0.00 54.13 53.24 2pqs s LEU 60 Cb -0.01 -1.53 -0.02 0.00 0.50 0.00 0.00 46.19 45.13 2pqs s LEU 60 CO 0.03 0.02 -0.08 -1.58 -1.32 0.00 0.00 176.35 173.43 2pqs s GLN 61 N 1.17 3.31 -0.16 1.98 0.74 0.16 -0.37 119.66 126.49 2pqs s GLN 61 Ca 0.02 -0.59 0.01 0.00 0.05 0.00 0.00 55.36 54.85 2pqs s GLN 61 Cb -0.14 -2.72 0.02 0.00 1.10 0.00 0.00 33.01 31.26 2pqs s GLN 61 CO -0.08 0.35 -0.19 0.42 -0.55 0.00 0.00 175.29 175.24 2pqs s ILE 62 N 0.02 1.95 -0.53 -2.34 1.01 0.76 -1.13 121.20 120.95 2pqs s ILE 62 Ca -0.02 -0.89 -0.18 0.00 0.00 0.00 0.00 60.65 59.56 2pqs s ILE 62 Cb -0.14 -1.76 0.08 0.00 0.01 0.00 0.00 42.46 40.65 2pqs s ILE 62 CO 0.03 0.52 0.62 -0.62 0.00 0.00 0.00 174.94 175.50 2pqs s ASP 63 N 1.14 6.20 0.11 3.58 2.15 0.53 -1.38 116.67 129.00 2pqs s ASP 63 Ca 0.00 -1.19 0.12 0.00 0.43 0.00 0.00 52.55 51.91 2pqs s ASP 63 Cb -0.14 -2.28 0.55 0.00 -0.30 0.00 0.00 42.92 40.76 2pqs s ASP 63 CO -0.08 -0.94 1.36 0.18 -0.17 0.00 0.00 175.17 175.51 2pqs n LEU 64 N 6.07 0.22 0.00 -1.34 4.77 0.16 -4.84 117.00 122.05 2pqs n LEU 64 Ca -0.09 0.58 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 2pqs n LEU 64 Cb 0.44 -0.59 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 2pqs n LEU 64 CO 0.55 -0.56 0.00 0.61 -1.33 0.00 0.00 177.39 176.66 2pqs n GLY 65 N -0.90 3.04 3.71 -0.72 0.00 -1.26 -4.94 105.19 104.12 2pqs n GLY 65 Ca 0.01 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.51 -0.30 0.10 1.61 1.04 -1.26 -5.12 113.70 109.26 2pqs s SER 66 Ca 0.00 -0.37 -0.31 0.00 0.48 0.00 0.00 55.95 55.75 2pqs s SER 66 Cb 0.00 0.59 -0.09 0.00 0.10 0.00 0.00 66.02 66.62 2pqs s SER 66 CO 0.00 -1.06 1.65 -1.10 0.98 0.00 0.00 173.24 173.72 2pqs s GLN 67 N -3.60 4.19 0.12 4.02 -1.52 -1.26 -4.22 119.66 117.39 2pqs s GLN 67 Ca 0.09 2.37 -0.02 0.00 -1.95 0.00 0.00 55.36 55.85 2pqs s GLN 67 Cb -0.03 -3.49 -0.04 0.00 -0.22 0.00 0.00 33.01 29.23 2pqs s GLN 67 CO 0.00 -0.72 0.06 0.15 -0.25 0.00 0.00 175.29 174.53 2pqs s LYS 68 N 2.29 0.88 -0.22 2.91 1.02 0.34 -4.90 119.74 122.06 2pqs s LYS 68 Ca 0.74 -1.36 -0.23 0.00 0.02 0.00 0.00 55.97 55.14 2pqs s LYS 68 Cb -0.41 0.25 -0.02 0.00 -0.52 0.00 0.00 37.83 37.13 2pqs s LYS 68 CO 0.32 -0.24 0.73 1.03 -0.92 0.00 0.00 175.35 176.28 2pqs s ARG 69 N -4.01 4.20 -0.27 1.68 0.52 -0.57 -1.13 118.95 119.36 2pqs s ARG 69 Ca 0.20 0.79 -0.02 0.00 -0.52 0.00 0.00 55.73 56.17 2pqs s ARG 69 Cb 0.07 -3.61 0.03 0.00 0.52 0.00 0.00 34.95 31.96 2pqs s ARG 69 CO -0.01 -0.38 -0.02 0.08 0.02 0.00 0.00 175.30 174.99 2pqs s VAL 70 N 2.38 3.06 -0.06 3.52 1.01 0.81 -1.64 120.40 129.48 2pqs s VAL 70 Ca 0.32 -1.10 0.16 0.00 0.00 0.00 0.00 61.98 61.37 2pqs s VAL 70 Cb -0.16 -2.63 -0.25 0.00 0.00 0.00 0.00 36.38 33.34 2pqs s VAL 70 CO 0.09 0.08 0.29 0.35 0.00 0.00 0.00 175.10 175.91 2pqs n THR 71 N 4.68 0.31 -3.24 3.92 -2.24 0.13 -2.36 114.28 115.47 2pqs n THR 71 Ca -0.15 -0.47 -0.02 0.00 -2.27 0.00 0.00 64.05 61.14 2pqs n THR 71 Cb 0.46 -0.08 0.01 0.00 -2.10 0.00 0.00 70.33 68.61 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 1.66 1.65 3.39 3.38 0.00 -1.14 -0.48 105.19 113.65 2pqs n GLY 72 Ca -0.10 -1.05 -0.15 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.74 0.03 -0.02 -0.61 2.07 -0.34 -1.61 121.20 117.97 2pqs s ILE 73 Ca 0.04 -0.24 0.01 0.00 -1.41 0.00 0.00 60.65 59.05 2pqs s ILE 73 Cb -0.01 -0.89 0.01 0.00 0.13 0.00 0.00 42.46 41.70 2pqs s ILE 73 CO 0.02 -0.13 -0.05 -0.63 -1.91 0.00 0.00 174.94 172.24 2pqs s ILE 74 N -1.74 0.47 0.13 2.00 1.01 0.03 -0.87 121.20 122.24 2pqs s ILE 74 Ca -0.09 -0.17 0.02 0.00 0.00 0.00 0.00 60.65 60.41 2pqs s ILE 74 Cb -0.02 -0.46 -0.04 0.00 0.01 0.00 0.00 42.46 41.95 2pqs s ILE 74 CO 0.04 0.18 -0.05 0.42 0.00 0.00 0.00 174.94 175.53 2pqs s THR 75 N 0.43 0.77 0.12 2.92 -4.23 -0.67 -1.30 115.64 113.69 2pqs s THR 75 Ca -0.05 -1.97 -0.07 0.00 -1.18 0.00 0.00 61.69 58.42 2pqs s THR 75 Cb -0.09 -1.87 -0.01 0.00 1.34 0.00 0.00 72.50 71.86 2pqs s THR 75 CO -0.00 -0.71 0.19 -1.10 -0.54 0.00 0.00 174.62 172.46 2pqs s GLN 76 N -3.85 0.97 0.00 3.99 -0.21 -0.43 -2.00 119.66 118.13 2pqs s GLN 76 Ca 0.17 -1.16 0.00 0.00 0.02 0.00 0.00 55.36 54.40 2pqs s GLN 76 Cb 0.05 0.33 0.00 0.00 1.00 0.00 0.00 33.01 34.39 2pqs s GLN 76 CO -0.01 -0.32 0.00 0.41 -2.12 0.00 0.00 175.29 173.26 2pqs n GLY 77 N -0.12 1.75 3.62 3.09 0.00 -0.93 -2.05 105.19 110.55 2pqs n GLY 77 Ca -0.10 -1.70 -0.03 0.00 0.00 0.00 0.00 46.02 44.18 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 -3.16 -2.12 0.22 4.61 0.00 0.08 -4.50 121.76 116.90 2pqs s ALA 78 Ca 0.00 1.78 -0.09 0.00 0.00 0.00 0.00 51.96 53.64 2pqs s ALA 78 Cb 0.00 -0.64 -0.07 0.00 0.00 0.00 0.00 23.12 22.41 2pqs s ALA 78 CO 0.00 -0.46 0.53 0.50 0.00 0.00 0.00 175.76 176.33 2pqs s ARG 79 N -1.82 3.79 -0.31 0.00 3.52 -1.26 -1.48 118.95 121.38 2pqs s ARG 79 Ca 0.09 0.25 -0.02 0.00 -0.13 0.00 0.00 55.73 55.91 2pqs s ARG 79 Cb -0.01 -2.67 0.11 0.00 -1.56 0.00 0.00 34.95 30.82 2pqs s ARG 79 CO -0.05 0.33 0.15 0.34 -0.81 0.00 0.00 175.30 175.26 2pqs s ASP 80 N -2.36 3.47 1.69 -2.12 2.15 0.18 -4.95 116.67 114.74 2pqs s ASP 80 Ca 0.47 -1.59 0.00 0.00 0.43 0.00 0.00 52.55 51.86 2pqs s ASP 80 Cb -0.11 -0.45 0.00 0.00 -0.30 0.00 0.00 42.92 42.06 2pqs s ASP 80 CO 0.21 -0.40 0.00 2.22 -0.17 0.00 0.00 175.17 177.03 2pqs n PHE 81 N 4.86 0.00 -0.76 -5.34 -1.74 -1.26 -1.25 117.46 111.97 2pqs n PHE 81 Ca -0.01 0.00 -0.17 0.00 -0.56 0.00 0.00 57.45 56.71 2pqs n PHE 81 Cb 0.41 0.00 0.05 0.00 1.52 0.00 0.00 39.48 41.46 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 4.04 3.12 4.97 0.00 -1.26 -4.87 105.19 111.20 2pqs n GLY 82 Ca 0.00 -1.06 -0.12 0.00 0.00 0.00 0.00 46.02 44.84 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 -1.93 -0.33 0.08 1.61 4.02 -0.38 -5.15 115.29 113.22 2pqs s HIS 83 Ca 0.33 0.78 -0.13 0.00 1.02 0.00 0.00 55.06 57.06 2pqs s HIS 83 Cb 0.26 0.09 -0.06 0.00 -1.02 0.00 0.00 32.58 31.85 2pqs s HIS 83 CO 0.01 -0.19 0.45 0.96 1.02 0.00 0.00 174.74 176.99 2pqs s ILE 84 N 0.64 4.99 -0.01 0.60 -4.36 -1.26 0.50 121.20 122.29 2pqs s ILE 84 Ca -0.04 0.69 0.00 0.00 -0.26 0.00 0.00 60.65 61.04 2pqs s ILE 84 Cb -0.05 -3.70 0.02 0.00 1.25 0.00 0.00 42.46 39.97 2pqs s ILE 84 CO -0.04 0.36 0.01 -1.10 0.24 0.00 0.00 174.94 174.41 2pqs s GLN 85 N -1.69 -0.00 0.04 0.37 -0.21 -0.55 -4.65 119.66 112.97 2pqs s GLN 85 Ca 0.32 0.09 -0.27 0.00 0.02 0.00 0.00 55.36 55.52 2pqs s GLN 85 Cb -0.15 -0.15 0.09 0.00 1.00 0.00 0.00 33.01 33.80 2pqs s GLN 85 CO 0.17 -0.09 0.77 1.52 -2.12 0.00 0.00 175.29 175.55 2pqs s TYR 86 N 0.56 -0.45 -0.23 0.91 -0.85 -1.16 -0.74 117.35 115.40 2pqs s TYR 86 Ca -0.05 0.36 -0.18 0.00 -0.52 0.00 0.00 57.07 56.68 2pqs s TYR 86 Cb -0.07 0.53 -0.03 0.00 0.38 0.00 0.00 41.96 42.77 2pqs s TYR 86 CO -0.02 -0.65 0.53 0.08 -1.52 0.00 0.00 175.55 173.98 2pqs s VAL 87 N -3.04 5.08 0.03 -3.49 1.01 -1.21 -0.74 120.40 118.03 2pqs s VAL 87 Ca 0.02 0.94 0.10 0.00 0.00 0.00 0.00 61.98 63.04 2pqs s VAL 87 Cb -0.01 -3.85 -0.19 0.00 0.00 0.00 0.00 36.38 32.33 2pqs s VAL 87 CO -0.08 0.12 1.05 0.00 0.00 0.00 0.00 175.10 176.19 2pqs h ALA 88 N 7.75 0.54 -2.62 5.51 0.00 -0.28 -1.18 119.26 128.98 2pqs h ALA 88 Ca -0.31 -1.07 -0.13 0.00 0.00 0.00 0.00 54.91 53.40 2pqs h ALA 88 Cb 1.14 0.10 -0.20 0.00 0.00 0.00 0.00 17.79 18.83 2pqs h ALA 88 CO 0.73 1.30 -0.36 0.00 0.00 0.00 0.00 179.25 180.92 2pqs s ALA 89 N -2.70 -0.61 0.19 0.00 0.00 -0.87 0.75 121.76 118.52 2pqs s ALA 89 Ca -0.01 0.16 -0.23 0.00 0.00 0.00 0.00 51.96 51.88 2pqs s ALA 89 Cb 0.09 0.07 0.05 0.00 0.00 0.00 0.00 23.12 23.34 2pqs s ALA 89 CO 0.82 -0.24 0.73 1.52 0.00 0.00 0.00 175.76 178.58 2pqs s TYR 90 N -1.30 -0.33 0.27 0.00 1.13 -1.00 0.35 117.35 116.48 2pqs s TYR 90 Ca -0.14 0.01 0.09 0.00 -1.41 0.00 0.00 57.07 55.63 2pqs s TYR 90 Cb -0.06 0.63 -0.04 0.00 -1.10 0.00 0.00 41.96 41.39 2pqs s TYR 90 CO 0.03 -0.97 0.03 1.03 -2.51 0.00 0.00 175.55 173.16 2pqs s ARG 91 N -3.69 2.38 -0.08 -3.49 0.52 -0.24 0.34 118.95 114.69 2pqs s ARG 91 Ca 0.07 -1.38 0.03 0.00 -0.52 0.00 0.00 55.73 53.93 2pqs s ARG 91 Cb -0.03 -2.21 0.01 0.00 0.52 0.00 0.00 34.95 33.23 2pqs s ARG 91 CO -0.03 0.35 -0.17 0.08 0.02 0.00 0.00 175.30 175.56 2pqs s VAL 92 N -2.31 1.49 0.14 3.52 1.01 -1.26 -0.86 120.40 122.13 2pqs s VAL 92 Ca 0.32 -0.69 0.09 0.00 0.00 0.00 0.00 61.98 61.70 2pqs s VAL 92 Cb -0.06 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.95 2pqs s VAL 92 CO 0.21 0.43 -0.21 0.00 0.00 0.00 0.00 175.10 175.54 2pqs s ALA 93 N 0.56 2.01 0.15 5.51 0.00 -0.68 0.57 121.76 129.87 2pqs s ALA 93 Ca -0.16 -1.40 -0.12 0.00 0.00 0.00 0.00 51.96 50.28 2pqs s ALA 93 Cb -0.17 -0.24 0.01 0.00 0.00 0.00 0.00 23.12 22.72 2pqs s ALA 93 CO 0.06 0.33 0.34 1.52 0.00 0.00 0.00 175.76 178.01 2pqs s TYR 94 N -1.55 0.15 0.07 0.00 -0.85 -0.74 -0.40 117.35 114.03 2pqs s TYR 94 Ca 0.12 -0.52 -0.11 0.00 -0.52 0.00 0.00 57.07 56.04 2pqs s TYR 94 Cb -0.08 0.09 0.04 0.00 0.38 0.00 0.00 41.96 42.39 2pqs s TYR 94 CO 0.06 -0.74 0.53 0.41 -1.52 0.00 0.00 175.55 174.29 2pqs n GLY 95 N -0.22 0.86 0.06 5.49 0.00 -0.69 -0.46 105.19 110.23 2pqs n GLY 95 Ca -0.10 -1.02 -0.06 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.87 2.48 -0.06 1.61 8.00 -1.26 -1.57 116.55 124.87 2pqs n ASP 96 Ca -0.00 -0.02 0.08 0.00 0.71 0.00 0.00 54.79 55.56 2pqs n ASP 96 Cb 0.29 0.53 -0.08 0.00 -0.02 0.00 0.00 41.12 41.83 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 -2.52 0.97 -0.50 -2.24 5.75 -1.26 -4.67 116.55 112.08 2pqs n ASP 97 Ca -0.19 -0.99 -0.06 0.00 -0.01 0.00 0.00 54.79 53.54 2pqs n ASP 97 Cb 0.83 0.92 -0.02 0.00 -1.03 0.00 0.00 41.12 41.82 2pqs n ASP 97 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2pqs n GLY 98 N 1.39 0.67 0.00 6.12 0.00 -1.26 -4.81 105.19 107.30 2pqs n GLY 98 Ca 0.04 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.30 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 -3.10 0.00 -4.49 1.61 3.14 -1.26 -5.04 118.33 109.19 2pqs n VAL 99 Ca -0.06 0.00 -0.34 0.00 -2.96 0.00 0.00 64.34 60.98 2pqs n VAL 99 Cb 0.27 -0.22 -0.12 0.00 -1.06 0.00 0.00 33.84 32.71 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 -1.18 3.76 0.09 1.55 2.01 -1.26 -5.12 115.64 115.49 2pqs s THR 100 Ca 0.00 -0.42 0.06 0.00 0.31 0.00 0.00 61.69 61.65 2pqs s THR 100 Cb 0.00 -2.62 -0.03 0.00 0.01 0.00 0.00 72.50 69.86 2pqs s THR 100 CO 0.00 0.52 -0.16 0.26 -0.69 0.00 0.00 174.62 174.54 2pqs s TRP 101 N 0.14 1.42 -0.20 4.92 0.52 -1.26 -4.28 118.94 120.20 2pqs s TRP 101 Ca -0.02 -0.46 0.01 0.00 0.02 0.00 0.00 56.10 55.66 2pqs s TRP 101 Cb -0.14 -0.78 0.03 0.00 -1.15 0.00 0.00 33.47 31.43 2pqs s TRP 101 CO 0.03 0.12 -0.17 0.99 0.02 0.00 0.00 176.95 177.94 2pqs s THR 102 N -1.34 2.04 0.03 2.01 2.01 0.40 -4.90 115.64 115.89 2pqs s THR 102 Ca 0.02 -1.12 -0.30 0.00 0.31 0.00 0.00 61.69 60.60 2pqs s THR 102 Cb -0.09 -1.95 -0.06 0.00 0.01 0.00 0.00 72.50 70.41 2pqs s THR 102 CO 0.03 0.36 1.38 -1.61 -0.69 0.00 0.00 174.62 174.09 2pqs s GLU 103 N 1.25 4.31 0.55 4.92 0.41 -1.26 -1.79 118.70 127.09 2pqs s GLU 103 Ca 0.01 1.97 -0.20 0.00 -0.41 0.00 0.00 54.97 56.34 2pqs s GLU 103 Cb -0.15 -3.48 -0.05 0.00 -1.78 0.00 0.00 34.13 28.67 2pqs s GLU 103 CO -0.10 -0.51 1.23 -0.47 -0.49 0.00 0.00 175.26 174.91 2pqs s TYR 104 N 1.97 2.50 -0.23 1.61 5.04 0.19 -4.90 117.35 123.53 2pqs s TYR 104 Ca 0.64 1.49 -0.22 0.00 -2.44 0.00 0.00 57.07 56.54 2pqs s TYR 104 Cb -0.32 -3.52 0.06 0.00 0.35 0.00 0.00 41.96 38.53 2pqs s TYR 104 CO 0.28 -2.16 0.63 -1.59 -1.34 0.00 0.00 175.55 171.37 2pqs s LYS 105 N -3.08 0.74 0.78 4.97 -2.85 -1.26 -1.40 119.74 117.63 2pqs s LYS 105 Ca 0.73 0.87 -0.14 0.00 -1.00 0.00 0.00 55.97 56.42 2pqs s LYS 105 Cb -0.32 0.36 0.06 0.00 -2.06 0.00 0.00 37.83 35.87 2pqs s LYS 105 CO 0.36 -0.09 1.15 -0.25 0.10 0.00 0.00 175.35 176.62 2pqs n ASP 106 N 2.73 0.98 -4.69 0.03 8.00 -1.26 -4.88 116.55 117.45 2pqs n ASP 106 Ca -0.14 0.62 -0.42 0.00 0.71 0.00 0.00 54.79 55.56 2pqs n ASP 106 Cb 0.56 -1.49 -0.00 0.00 -0.02 0.00 0.00 41.12 40.16 2pqs n ASP 106 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2pqs n PRO 107 N -2.81 2.07 -3.21 -0.24 -0.04 -1.26 -3.63 135.00 125.87 2pqs n PRO 107 Ca 0.14 0.73 -0.23 0.00 -0.04 0.00 0.00 63.50 64.10 2pqs n PRO 107 Cb 0.50 -2.31 0.02 0.00 -0.04 0.00 0.00 33.50 31.67 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 0.79 -0.64 3.59 0.55 0.00 -1.26 -5.02 105.19 103.20 2pqs n GLY 108 Ca 0.05 1.14 -0.10 0.00 0.00 0.00 0.00 46.02 47.11 2pqs n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pqs s ALA 109 N -2.14 -1.94 0.05 4.61 0.00 -1.24 -5.15 121.76 115.94 2pqs s ALA 109 Ca 0.28 1.66 -0.02 0.00 0.00 0.00 0.00 51.96 53.88 2pqs s ALA 109 Cb -0.05 -0.90 -0.04 0.00 0.00 0.00 0.00 23.12 22.13 2pqs s ALA 109 CO 0.82 -0.29 0.23 -1.54 0.00 0.00 0.00 175.76 174.99 2pqs s SER 110 N -0.72 6.40 0.07 0.00 1.04 -1.26 -4.92 113.70 114.31 2pqs s SER 110 Ca -0.01 0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.79 2pqs s SER 110 Cb -0.02 -2.00 0.00 0.00 0.10 0.00 0.00 66.02 64.10 2pqs s SER 110 CO -0.00 0.19 0.00 -0.62 0.98 0.00 0.00 173.24 173.78 2pqs n GLU 111 N 0.54 -0.78 -1.89 4.02 -0.58 -1.26 -4.95 120.64 115.74 2pqs n GLU 111 Ca -0.07 0.57 -0.36 0.00 -0.42 0.00 0.00 57.16 56.89 2pqs n GLU 111 Cb 0.52 -0.64 0.05 0.00 -0.57 0.00 0.00 31.44 30.80 2pqs n GLU 111 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 2pqs s SER 112 N -1.62 4.99 0.26 1.62 1.04 -1.26 -4.81 113.70 113.91 2pqs s SER 112 Ca 0.00 2.39 -0.30 0.00 0.48 0.00 0.00 55.95 58.52 2pqs s SER 112 Cb 0.00 -2.60 -0.10 0.00 0.10 0.00 0.00 66.02 63.43 2pqs s SER 112 CO 0.00 -1.73 1.38 -0.75 0.98 0.00 0.00 173.24 173.12 2pqs s LYS 113 N -3.46 4.31 -0.45 4.02 2.47 -0.49 -4.96 119.74 121.18 2pqs s LYS 113 Ca 0.77 2.23 -0.06 0.00 -1.56 0.00 0.00 55.97 57.35 2pqs s LYS 113 Cb -0.30 -3.12 0.12 0.00 -1.46 0.00 0.00 37.83 33.07 2pqs s LYS 113 CO 0.36 -0.33 0.28 0.42 0.16 0.00 0.00 175.35 176.24 2pqs s ILE 114 N -0.26 3.75 0.40 5.43 1.01 -1.26 -4.41 121.20 125.85 2pqs s ILE 114 Ca 0.56 -1.95 -0.25 0.00 0.00 0.00 0.00 60.65 59.01 2pqs s ILE 114 Cb -0.40 -3.51 -0.08 0.00 0.01 0.00 0.00 42.46 38.47 2pqs s ILE 114 CO 0.45 -0.74 1.17 -0.36 0.00 0.00 0.00 174.94 175.46 2pqs s PHE 115 N 1.22 3.06 -0.03 3.97 0.40 0.15 -4.82 117.98 121.93 2pqs s PHE 115 Ca 0.07 1.55 -0.30 0.00 -0.60 0.00 0.00 56.93 57.66 2pqs s PHE 115 Cb -0.24 -3.39 -0.03 0.00 0.51 0.00 0.00 43.02 39.87 2pqs s PHE 115 CO -0.03 -1.32 1.07 -1.25 0.70 0.00 0.00 175.22 174.40 2pqs s PRO 116 N -2.31 4.45 0.00 0.24 0.04 -1.26 -2.38 135.00 133.78 2pqs s PRO 116 Ca 0.57 1.53 0.00 0.00 0.04 0.00 0.00 61.00 63.14 2pqs s PRO 116 Cb -0.30 -3.49 0.00 0.00 0.04 0.00 0.00 34.50 30.75 2pqs s PRO 116 CO 0.38 -0.25 0.00 0.41 0.04 0.00 0.00 177.00 177.58 2pqs n GLY 117 N 3.11 1.96 3.92 0.56 0.00 0.23 -4.93 105.19 110.04 2pqs n GLY 117 Ca 0.08 -1.51 -0.27 0.00 0.00 0.00 0.00 46.02 44.33 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 -0.85 5.27 -0.01 1.61 0.01 -0.45 -4.89 114.94 115.63 2pqs s ASN 118 Ca 0.00 0.64 0.01 0.00 -0.71 0.00 0.00 52.86 52.80 2pqs s ASN 118 Cb 0.00 -1.48 0.01 0.00 0.41 0.00 0.00 41.25 40.19 2pqs s ASN 118 CO 0.00 -1.30 0.70 1.15 -1.51 0.00 0.00 177.10 176.14 2pqs n MET 119 N -2.75 0.50 -1.80 -0.60 0.00 -1.26 -4.31 117.12 106.89 2pqs n MET 119 Ca 0.06 -0.85 -0.00 0.00 0.00 0.00 0.00 57.70 56.91 2pqs n MET 119 Cb 0.59 -0.62 0.00 0.00 0.00 0.00 0.00 33.22 33.19 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 -0.14 -0.28 0.10 3.17 5.68 -1.26 -5.09 116.55 118.73 2pqs n ASP 120 Ca 0.01 -1.15 -0.21 0.00 -0.50 0.00 0.00 54.79 52.94 2pqs n ASP 120 Cb 0.51 0.45 -0.15 0.00 -1.14 0.00 0.00 41.12 40.79 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 0.31 0.60 0.00 -1.12 -0.00 -1.88 -3.30 115.58 110.19 2pqs h ASN 121 Ca -0.04 -0.74 0.00 0.00 -0.00 0.00 0.00 56.30 55.52 2pqs h ASN 121 Cb 0.19 -0.20 0.00 0.00 -0.00 0.00 0.00 38.32 38.31 2pqs h ASN 121 CO 0.06 1.60 -0.98 0.59 -0.00 0.00 0.00 177.43 178.69 2pqs n ASN 122 N -3.59 3.56 -4.78 6.14 4.13 -1.26 -2.18 115.26 117.28 2pqs n ASN 122 Ca -0.17 -0.10 -0.41 0.00 1.68 0.00 0.00 54.58 55.58 2pqs n ASN 122 Cb 1.07 1.12 -0.01 0.00 -1.54 0.00 0.00 39.78 40.43 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 -2.20 6.45 0.21 6.41 0.01 -1.26 -4.91 113.70 118.40 2pqs s SER 123 Ca -0.01 2.96 -0.27 0.00 1.31 0.00 0.00 55.95 59.94 2pqs s SER 123 Cb 0.02 -2.66 -0.09 0.00 0.21 0.00 0.00 66.02 63.50 2pqs s SER 123 CO 0.14 -0.80 0.86 -1.00 0.41 0.00 0.00 173.24 172.85 2pqs s HIS 124 N -1.07 3.93 -0.21 2.43 3.76 -1.26 -4.57 115.29 118.31 2pqs s HIS 124 Ca 0.52 1.77 0.01 0.00 -0.15 0.00 0.00 55.06 57.21 2pqs s HIS 124 Cb -0.45 -2.87 0.05 0.00 1.11 0.00 0.00 32.58 30.42 2pqs s HIS 124 CO 0.60 0.48 -0.08 0.21 -0.85 0.00 0.00 174.74 175.10 2pqs s LYS 125 N -1.21 1.81 -0.12 1.40 2.47 -0.85 -4.97 119.74 118.26 2pqs s LYS 125 Ca 0.39 -0.87 -0.02 0.00 -1.56 0.00 0.00 55.97 53.91 2pqs s LYS 125 Cb -0.24 -2.44 -0.03 0.00 -1.46 0.00 0.00 37.83 33.66 2pqs s LYS 125 CO 0.29 -0.49 -0.05 0.21 0.16 0.00 0.00 175.35 175.47 2pqs s LYS 126 N 1.42 3.35 -0.09 4.03 2.20 -1.26 -1.67 119.74 127.72 2pqs s LYS 126 Ca -0.03 -0.52 0.03 0.00 -0.36 0.00 0.00 55.97 55.09 2pqs s LYS 126 Cb -0.17 -2.80 0.01 0.00 -1.51 0.00 0.00 37.83 33.35 2pqs s LYS 126 CO -0.07 0.40 -0.20 -0.80 -0.36 0.00 0.00 175.35 174.32 2pqs s ASN 127 N -0.08 2.64 -0.27 1.43 0.01 -0.05 -4.99 114.94 113.63 2pqs s ASN 127 Ca 0.02 -0.47 -0.09 0.00 -0.71 0.00 0.00 52.86 51.60 2pqs s ASN 127 Cb -0.13 -1.21 -0.03 0.00 0.41 0.00 0.00 41.25 40.29 2pqs s ASN 127 CO 0.03 0.10 0.13 -0.63 -1.51 0.00 0.00 177.10 175.22 2pqs s ILE 128 N 0.53 4.75 0.21 0.60 -1.09 -1.26 -1.20 121.20 123.74 2pqs s ILE 128 Ca -0.16 -0.07 -0.32 0.00 -2.23 0.00 0.00 60.65 57.87 2pqs s ILE 128 Cb -0.17 -3.27 -0.12 0.00 -1.58 0.00 0.00 42.46 37.32 2pqs s ILE 128 CO 0.06 0.27 1.73 -0.36 -1.23 0.00 0.00 174.94 175.40 2pqs s PHE 129 N 1.67 2.90 0.15 3.97 2.99 0.36 -4.89 117.98 125.13 2pqs s PHE 129 Ca 0.06 0.33 -0.17 0.00 0.00 0.00 0.00 56.93 57.16 2pqs s PHE 129 Cb -0.16 -4.15 0.01 0.00 0.00 0.00 0.00 43.02 38.72 2pqs s PHE 129 CO 0.07 -4.36 1.79 1.49 -0.00 0.00 0.00 175.22 174.21 2pqs h GLU 130 N 6.80 0.40 -4.69 0.44 4.81 -1.97 -3.35 114.58 117.02 2pqs h GLU 130 Ca -0.43 -0.02 -0.67 0.00 -0.13 0.00 0.00 59.36 58.11 2pqs h GLU 130 Cb 1.20 -0.09 -0.38 0.00 0.63 0.00 0.00 28.75 30.11 2pqs h GLU 130 CO 0.96 0.26 -0.71 0.99 -0.73 0.00 0.00 179.01 179.79 2pqs s THR 131 N -6.16 2.46 0.81 0.32 2.01 -1.26 -5.01 115.64 108.80 2pqs s THR 131 Ca -0.13 -2.13 -0.12 0.00 0.31 0.00 0.00 61.69 59.62 2pqs s THR 131 Cb 0.11 -2.71 0.08 0.00 0.01 0.00 0.00 72.50 69.99 2pqs s THR 131 CO 0.71 -0.49 1.15 -2.16 -0.69 0.00 0.00 174.62 173.15 2pqs s PRO 132 N 0.99 1.78 0.20 4.92 0.04 -1.26 -5.03 135.00 136.64 2pqs s PRO 132 Ca 0.06 1.52 -0.00 0.00 0.04 0.00 0.00 61.00 62.62 2pqs s PRO 132 Cb -0.20 -1.81 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 2pqs s PRO 132 CO -0.06 -2.06 0.10 -0.59 0.04 0.00 0.00 177.00 174.42 2pqs s PHE 133 N -2.47 1.20 -0.08 0.56 -0.12 -0.99 -4.99 117.98 111.08 2pqs s PHE 133 Ca 0.68 -1.29 0.04 0.00 -0.05 0.00 0.00 56.93 56.31 2pqs s PHE 133 Cb -0.23 -0.63 -0.01 0.00 -0.63 0.00 0.00 43.02 41.51 2pqs s PHE 133 CO 0.52 -0.52 -0.20 -1.14 -0.05 0.00 0.00 175.22 173.83 2pqs s GLN 134 N -4.10 2.79 0.12 1.99 0.74 -1.26 -0.13 119.66 119.82 2pqs s GLN 134 Ca 0.35 -0.81 -0.26 0.00 0.05 0.00 0.00 55.36 54.69 2pqs s GLN 134 Cb 0.07 -2.33 0.08 0.00 1.10 0.00 0.00 33.01 31.94 2pqs s GLN 134 CO 0.10 0.37 1.06 0.00 -0.55 0.00 0.00 175.29 176.27 2pqs s ALA 135 N -0.09 -1.79 -0.12 1.58 0.00 -0.28 -4.89 121.76 116.16 2pqs s ALA 135 Ca -0.04 0.12 0.06 0.00 0.00 0.00 0.00 51.96 52.10 2pqs s ALA 135 Cb -0.14 0.62 -0.11 0.00 0.00 0.00 0.00 23.12 23.49 2pqs s ALA 135 CO 0.04 -1.06 -0.03 -2.13 0.00 0.00 0.00 175.76 172.58 2pqs n ARG 136 N -0.55 1.42 -4.63 0.00 0.63 -0.61 -0.50 116.66 112.42 2pqs n ARG 136 Ca -0.05 0.03 -0.33 0.00 -0.92 0.00 0.00 57.85 56.57 2pqs n ARG 136 Cb 0.61 -1.27 -0.12 0.00 0.45 0.00 0.00 32.46 32.13 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 -2.26 2.91 -0.02 -0.14 0.40 -0.63 0.40 117.98 118.63 2pqs s PHE 137 Ca -0.11 -0.20 0.02 0.00 -0.60 0.00 0.00 56.93 56.04 2pqs s PHE 137 Cb 0.04 -1.79 0.00 0.00 0.51 0.00 0.00 43.02 41.78 2pqs s PHE 137 CO 0.38 0.12 -0.08 0.08 0.70 0.00 0.00 175.22 176.42 2pqs s VAL 138 N -0.29 0.65 -0.02 -0.44 1.01 -0.48 -1.70 120.40 119.14 2pqs s VAL 138 Ca 0.04 -0.32 0.06 0.00 0.00 0.00 0.00 61.98 61.76 2pqs s VAL 138 Cb -0.13 -0.58 -0.01 0.00 0.00 0.00 0.00 36.38 35.66 2pqs s VAL 138 CO 0.03 0.20 -0.21 -0.13 0.00 0.00 0.00 175.10 174.98 2pqs s ARG 139 N 0.06 1.80 -0.19 2.72 0.52 0.46 -0.17 118.95 124.15 2pqs s ARG 139 Ca -0.01 -0.76 -0.07 0.00 -0.52 0.00 0.00 55.73 54.37 2pqs s ARG 139 Cb -0.06 -1.70 -0.04 0.00 0.52 0.00 0.00 34.95 33.67 2pqs s ARG 139 CO -0.00 0.43 0.07 0.42 0.02 0.00 0.00 175.30 176.24 2pqs s ILE 140 N -0.43 4.74 -0.45 1.52 -1.09 0.50 -1.68 121.20 124.31 2pqs s ILE 140 Ca 0.06 -0.05 0.03 0.00 -2.23 0.00 0.00 60.65 58.47 2pqs s ILE 140 Cb -0.09 -3.15 0.12 0.00 -1.58 0.00 0.00 42.46 37.76 2pqs s ILE 140 CO -0.00 0.44 0.19 -1.10 -1.23 0.00 0.00 174.94 173.24 2pqs s GLN 141 N 0.56 1.84 0.27 2.79 -0.21 -0.04 -1.40 119.66 123.48 2pqs s GLN 141 Ca 0.03 -2.29 -0.30 0.00 0.02 0.00 0.00 55.36 52.82 2pqs s GLN 141 Cb -0.13 -3.33 -0.13 0.00 1.00 0.00 0.00 33.01 30.43 2pqs s GLN 141 CO 0.01 -1.05 1.45 -0.35 -2.12 0.00 0.00 175.29 173.23 2pqs n PRO 142 N 3.65 2.25 -0.07 2.91 -0.04 -1.26 -1.07 135.00 141.36 2pqs n PRO 142 Ca 0.04 0.80 -0.13 0.00 -0.04 0.00 0.00 63.50 64.17 2pqs n PRO 142 Cb 0.37 -2.48 -0.06 0.00 -0.04 0.00 0.00 33.50 31.29 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 1.73 0.81 -4.26 0.52 0.31 0.16 -4.82 118.33 112.78 2pqs n VAL 143 Ca 0.10 -0.25 -0.18 0.00 -0.01 0.00 0.00 64.34 63.99 2pqs n VAL 143 Cb 0.34 -1.38 -0.13 0.00 -0.91 0.00 0.00 33.84 31.76 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 -2.28 0.88 0.14 3.52 0.00 -1.03 -4.95 121.76 118.04 2pqs s ALA 144 Ca -0.20 -0.67 -0.07 0.00 0.00 0.00 0.00 51.96 51.03 2pqs s ALA 144 Cb 0.07 -0.12 -0.02 0.00 0.00 0.00 0.00 23.12 23.05 2pqs s ALA 144 CO 0.29 0.15 0.20 1.67 0.00 0.00 0.00 175.76 178.07 2pqs s TRP 145 N -0.78 0.48 -0.33 0.00 -2.14 -1.26 0.36 118.94 115.27 2pqs s TRP 145 Ca -0.01 -0.86 -0.05 0.00 2.66 0.00 0.00 56.10 57.84 2pqs s TRP 145 Cb -0.07 -0.17 0.04 0.00 -3.10 0.00 0.00 33.47 30.17 2pqs s TRP 145 CO 0.01 -0.63 0.07 -1.58 -2.66 0.00 0.00 176.95 172.15 2pqs s HIS 146 N -3.97 3.26 0.00 1.66 5.65 0.08 -4.82 115.29 117.15 2pqs s HIS 146 Ca 0.17 -1.60 0.00 0.00 0.25 0.00 0.00 55.06 53.87 2pqs s HIS 146 Cb 0.05 -2.23 0.00 0.00 -1.18 0.00 0.00 32.58 29.22 2pqs s HIS 146 CO -0.02 -0.76 0.00 0.09 -0.65 0.00 0.00 174.74 173.40 2pqs n ASN 147 N 4.74 0.00 -3.82 9.88 3.02 -1.26 -2.97 115.26 124.85 2pqs n ASN 147 Ca -0.13 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.32 2pqs n ASN 147 Cb 0.44 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.54 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 0.80 -0.58 3.52 0.52 -1.26 -5.05 118.95 116.90 2pqs s ARG 148 Ca 0.00 -0.74 -0.28 0.00 -0.52 0.00 0.00 55.73 54.19 2pqs s ARG 148 Cb 0.00 0.33 0.02 0.00 0.52 0.00 0.00 34.95 35.83 2pqs s ARG 148 CO 0.00 -0.25 1.29 0.42 0.02 0.00 0.00 175.30 176.78 2pqs s ILE 149 N -3.16 3.90 -0.03 1.52 1.01 -1.26 -3.26 121.20 119.93 2pqs s ILE 149 Ca -0.01 0.78 0.01 0.00 0.00 0.00 0.00 60.65 61.44 2pqs s ILE 149 Cb 0.02 -4.62 0.02 0.00 0.01 0.00 0.00 42.46 37.88 2pqs s ILE 149 CO -0.07 -1.30 -0.03 -0.89 0.00 0.00 0.00 174.94 172.65 2pqs s THR 150 N 5.45 0.40 0.04 2.92 2.01 -1.26 -1.87 115.64 123.33 2pqs s THR 150 Ca 0.46 -0.10 0.00 0.00 0.31 0.00 0.00 61.69 62.37 2pqs s THR 150 Cb -0.09 -0.42 -0.03 0.00 0.01 0.00 0.00 72.50 71.97 2pqs s THR 150 CO 0.25 0.17 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.55 2pqs s LEU 151 N 0.64 2.34 -0.06 4.42 1.43 -0.04 -3.33 118.68 124.08 2pqs s LEU 151 Ca -0.08 -0.71 -0.02 0.00 -1.03 0.00 0.00 54.13 52.30 2pqs s LEU 151 Cb -0.11 0.06 0.04 0.00 0.03 0.00 0.00 46.19 46.21 2pqs s LEU 151 CO -0.00 -0.39 0.11 -0.13 0.23 0.00 0.00 176.35 176.17 2pqs s ARG 152 N -2.44 0.02 0.17 1.70 0.52 -0.87 -2.00 118.95 116.04 2pqs s ARG 152 Ca -0.05 0.39 0.05 0.00 -0.52 0.00 0.00 55.73 55.60 2pqs s ARG 152 Cb -0.03 -0.27 -0.05 0.00 0.52 0.00 0.00 34.95 35.12 2pqs s ARG 152 CO -0.04 -0.23 -0.11 0.08 0.02 0.00 0.00 175.30 175.03 2pqs s VAL 153 N 1.62 1.29 -0.07 3.52 1.01 0.15 -1.31 120.40 126.60 2pqs s VAL 153 Ca -0.04 -2.09 -0.04 0.00 0.00 0.00 0.00 61.98 59.81 2pqs s VAL 153 Cb -0.12 -1.92 0.03 0.00 0.00 0.00 0.00 36.38 34.37 2pqs s VAL 153 CO -0.05 -0.69 0.17 -0.70 0.00 0.00 0.00 175.10 173.84 2pqs s GLU 154 N -3.73 0.15 -0.10 2.72 2.56 -0.42 -0.97 118.70 118.91 2pqs s GLU 154 Ca 0.19 0.36 -0.02 0.00 0.00 0.00 0.00 54.97 55.49 2pqs s GLU 154 Cb 0.02 -0.07 -0.03 0.00 2.00 0.00 0.00 34.13 36.04 2pqs s GLU 154 CO 0.02 -0.12 0.00 -0.51 -0.56 0.00 0.00 175.26 174.10 2pqs s LEU 155 N 0.83 3.57 0.02 2.70 1.43 -1.26 -0.79 118.68 125.18 2pqs s LEU 155 Ca -0.06 0.12 0.02 0.00 -1.03 0.00 0.00 54.13 53.18 2pqs s LEU 155 Cb -0.08 -1.82 -0.04 0.00 0.03 0.00 0.00 46.19 44.28 2pqs s LEU 155 CO -0.04 0.35 0.03 -0.76 0.23 0.00 0.00 176.35 176.16 2pqs s LEU 156 N -0.72 3.65 0.00 1.79 1.43 -0.64 -0.17 118.68 124.01 2pqs s LEU 156 Ca 0.11 0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.22 2pqs s LEU 156 Cb -0.12 -2.18 0.00 0.00 0.03 0.00 0.00 46.19 43.93 2pqs s LEU 156 CO 0.02 0.25 0.00 0.61 0.23 0.00 0.00 176.35 177.46 2pqs n GLY 157 N 1.09 -0.60 0.00 -3.19 0.00 0.40 -0.70 105.19 102.20 2pqs n GLY 157 Ca -0.13 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.31 2pqs n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32