#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qoz n GLU 2 N 0.00 0.53 -2.55 0.03 -0.58 -1.26 -3.99 120.64 112.82 2qoz n GLU 2 Ca 0.00 0.45 0.00 0.00 -0.42 0.00 0.00 57.16 57.19 2qoz n GLU 2 Cb 0.00 -1.64 0.00 0.00 -0.57 0.00 0.00 31.44 29.23 2qoz n GLU 2 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28 2qoz n THR 3 N -4.45 -1.19 -3.28 2.62 5.66 -1.26 -3.76 114.28 108.61 2qoz n THR 3 Ca -0.27 0.20 -0.21 0.00 -3.05 0.00 0.00 64.05 60.72 2qoz n THR 3 Cb 0.58 -2.19 0.02 0.00 -1.55 0.00 0.00 70.33 67.19 2qoz n THR 3 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 175.07 172.29 2qoz s ILE 4 N -0.40 2.29 -0.24 1.09 -5.25 -1.26 -3.63 121.20 113.81 2qoz s ILE 4 Ca 0.00 -1.15 -0.13 0.00 -0.99 0.00 0.00 60.65 58.38 2qoz s ILE 4 Cb 0.00 -2.44 0.08 0.00 2.95 0.00 0.00 42.46 43.04 2qoz s ILE 4 CO 0.00 0.00 0.57 0.00 -1.79 0.00 0.00 174.94 173.72 2qoz s ALA 5 N -2.60 -1.54 0.05 2.27 0.00 -0.36 -4.81 121.76 114.78 2qoz s ALA 5 Ca 0.53 2.04 0.06 0.00 0.00 0.00 0.00 51.96 54.58 2qoz s ALA 5 Cb -0.05 -1.26 -0.03 0.00 0.00 0.00 0.00 23.12 21.78 2qoz s ALA 5 CO 0.33 -0.39 -0.16 -1.59 0.00 0.00 0.00 175.76 173.94 2qoz s LYS 6 N 1.68 1.02 -0.76 0.00 -2.85 -1.26 0.24 119.74 117.80 2qoz s LYS 6 Ca -0.09 -0.88 0.01 0.00 -1.00 0.00 0.00 55.97 54.01 2qoz s LYS 6 Cb -0.07 -1.08 0.19 0.00 -2.06 0.00 0.00 37.83 34.81 2qoz s LYS 6 CO -0.17 0.26 0.59 -1.58 0.10 0.00 0.00 175.35 174.56 2qoz s HIS 7 N -0.96 3.66 0.38 1.78 2.46 0.27 -4.98 115.29 117.91 2qoz s HIS 7 Ca 0.03 -3.11 -0.27 0.00 0.47 0.00 0.00 55.06 52.18 2qoz s HIS 7 Cb -0.09 -3.02 -0.09 0.00 -0.13 0.00 0.00 32.58 29.25 2qoz s HIS 7 CO 0.02 -0.68 1.32 1.03 -2.47 0.00 0.00 174.74 173.96 2qoz s ARG 8 N -1.13 4.08 -0.92 2.88 0.52 -1.26 -2.65 118.95 120.47 2qoz s ARG 8 Ca 0.24 2.21 -0.04 0.00 -0.52 0.00 0.00 55.73 57.62 2qoz s ARG 8 Cb -0.10 -2.86 -0.04 0.00 0.52 0.00 0.00 34.95 32.47 2qoz s ARG 8 CO -0.12 -0.42 0.82 0.72 0.02 0.00 0.00 175.30 176.33 2qoz n HIS 9 N 0.33 -2.61 -2.34 -0.53 8.25 -0.82 -4.89 115.22 112.61 2qoz n HIS 9 Ca 0.02 0.94 -0.41 0.00 -0.26 0.00 0.00 57.72 58.02 2qoz n HIS 9 Cb 0.43 -4.09 -0.03 0.00 1.12 0.00 0.00 29.99 27.42 2qoz n HIS 9 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qoz s ALA 10 N -3.24 2.62 -0.42 -1.41 0.00 0.28 -4.81 121.76 114.78 2qoz s ALA 10 Ca 0.29 -0.87 -0.03 0.00 0.00 0.00 0.00 51.96 51.35 2qoz s ALA 10 Cb -0.04 -4.20 -0.04 0.00 0.00 0.00 0.00 23.12 18.84 2qoz s ALA 10 CO 0.73 -3.30 1.61 0.54 0.00 0.00 0.00 175.76 175.34 2qoz n ARG 11 N 9.03 1.08 0.00 0.00 5.12 -1.26 -3.41 116.66 127.22 2qoz n ARG 11 Ca 0.12 -0.90 0.00 0.00 -1.93 0.00 0.00 57.85 55.14 2qoz n ARG 11 Cb 0.50 -2.14 0.00 0.00 -1.16 0.00 0.00 32.46 29.66 2qoz n ARG 11 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2qoz n SER 12 N 4.20 0.00 0.00 0.55 2.88 -1.26 -5.12 113.62 114.87 2qoz n SER 12 Ca 0.23 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.77 2qoz n SER 12 Cb 0.12 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.58 2qoz n SER 12 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2qoz n SER 13 N -2.28 0.42 0.00 -3.46 3.41 -1.23 -4.93 113.62 105.55 2qoz n SER 13 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2qoz n SER 13 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2qoz n SER 13 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qoz n ALA 14 N -3.00 2.47 1.06 7.33 0.00 -1.26 -3.07 120.51 124.06 2qoz n ALA 14 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 2qoz n ALA 14 Cb 0.00 0.00 0.54 0.00 0.00 0.00 0.00 19.45 19.99 2qoz n ALA 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qoz n GLN 15 N -2.36 0.41 -0.01 0.00 10.64 -1.26 -1.94 117.38 122.86 2qoz n GLN 15 Ca 0.00 0.06 0.01 0.00 -1.83 0.00 0.00 57.00 55.24 2qoz n GLN 15 Cb 0.00 -1.50 -0.12 0.00 -0.86 0.00 0.00 30.24 27.76 2qoz n GLN 15 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 2qoz n LYS 16 N -1.18 0.65 -0.08 2.61 5.02 -1.26 -4.01 118.16 119.90 2qoz n LYS 16 Ca 0.12 0.04 -0.17 0.00 -2.02 0.00 0.00 58.31 56.28 2qoz n LYS 16 Cb 0.13 -1.66 -0.12 0.00 -0.02 0.00 0.00 35.03 33.36 2qoz n LYS 16 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2qoz h VAL 17 N 0.00 1.41 0.00 -0.18 2.07 -1.75 -3.25 116.25 114.55 2qoz h VAL 17 Ca -0.21 -2.26 0.00 0.00 0.82 0.00 0.00 66.70 65.05 2qoz h VAL 17 Cb 1.56 2.86 0.00 0.00 -1.52 0.00 0.00 31.29 34.20 2qoz h VAL 17 CO 0.03 0.48 0.00 -2.11 0.02 0.00 0.00 177.57 175.98 2qoz n ARG 18 N -4.54 0.31 -0.07 1.57 1.85 -0.82 -0.47 116.66 114.50 2qoz n ARG 18 Ca -0.19 0.00 -0.05 0.00 -1.00 0.00 0.00 57.85 56.61 2qoz n ARG 18 Cb 0.56 -1.12 -0.13 0.00 -1.05 0.00 0.00 32.46 30.72 2qoz n ARG 18 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51 2qoz n LEU 19 N 0.17 0.00 -0.08 2.89 7.94 -1.22 -4.55 117.00 122.14 2qoz n LEU 19 Ca 0.00 0.00 -0.08 0.00 -1.11 0.00 0.00 56.01 54.82 2qoz n LEU 19 Cb 0.06 0.34 -0.11 0.00 0.53 0.00 0.00 43.42 44.23 2qoz n LEU 19 CO 0.00 0.34 -1.00 0.55 -1.11 0.00 0.00 177.39 176.16 2qoz n VAL 20 N -2.52 1.03 0.54 1.96 3.14 0.39 -4.39 118.33 118.47 2qoz n VAL 20 Ca -0.23 -0.60 0.00 0.00 -2.96 0.00 0.00 64.34 60.55 2qoz n VAL 20 Cb 0.94 -0.68 0.00 0.00 -1.06 0.00 0.00 33.84 33.03 2qoz n VAL 20 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2qoz n ALA 21 N -2.62 1.92 -0.04 1.55 0.00 -0.60 -1.58 120.51 119.14 2qoz n ALA 21 Ca -0.25 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.14 2qoz n ALA 21 Cb 0.97 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.35 2qoz n ALA 21 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2qoz n ASP 22 N 0.48 2.98 0.26 0.00 9.92 -1.26 -4.21 116.55 124.71 2qoz n ASP 22 Ca 0.00 -0.00 0.15 0.00 -0.53 0.00 0.00 54.79 54.41 2qoz n ASP 22 Cb 0.20 0.64 0.55 0.00 -0.64 0.00 0.00 41.12 41.86 2qoz n ASP 22 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 2qoz h LEU 23 N 0.00 0.00 0.00 0.64 3.38 -1.57 -3.33 115.31 114.43 2qoz h LEU 23 Ca -0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.74 2qoz h LEU 23 Cb 1.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.25 2qoz h LEU 23 CO 0.01 0.04 -0.03 0.40 0.09 0.00 0.00 178.44 178.95 2qoz h ILE 24 N 0.00 0.00 0.00 1.22 2.04 -1.78 -3.44 117.51 115.54 2qoz h ILE 24 Ca -0.00 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.68 2qoz h ILE 24 Cb 0.65 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.73 2qoz h ILE 24 CO 0.01 0.00 0.00 -1.14 0.00 0.00 0.00 178.15 177.02 2qoz n ARG 25 N -2.56 0.00 0.00 2.37 0.63 -1.25 -2.10 116.66 113.76 2qoz n ARG 25 Ca -0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2qoz n ARG 25 Cb 0.02 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.93 2qoz n ARG 25 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2qoz n GLY 26 N 0.00 2.04 1.93 5.14 0.00 0.72 -4.97 105.19 110.05 2qoz n GLY 26 Ca 0.00 -0.46 -0.07 0.00 0.00 0.00 0.00 46.02 45.49 2qoz n GLY 26 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qoz n LYS 27 N 0.00 0.00 0.00 1.61 4.76 -0.89 -3.98 118.16 119.66 2qoz n LYS 27 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2qoz n LYS 27 Cb 0.00 -0.59 0.00 0.00 -1.84 0.00 0.00 35.03 32.60 2qoz n LYS 27 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2qoz n LYS 28 N 2.97 0.00 0.19 1.97 4.76 -1.26 -3.01 118.16 123.77 2qoz n LYS 28 Ca 0.23 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.67 2qoz n LYS 28 Cb 0.17 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.36 2qoz n LYS 28 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2qoz n VAL 29 N 0.00 0.00 -0.06 -0.18 0.31 -1.25 -1.15 118.33 116.00 2qoz n VAL 29 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.26 2qoz n VAL 29 Cb 0.00 -0.27 -0.01 0.00 -0.91 0.00 0.00 33.84 32.65 2qoz n VAL 29 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2qoz h SER 30 N 0.00 -0.54 -0.09 4.52 0.02 -1.86 0.56 113.55 116.16 2qoz h SER 30 Ca 0.00 0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 61.06 2qoz h SER 30 Cb 0.00 0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.82 2qoz h SER 30 CO 0.00 -0.20 0.03 1.56 -1.14 0.00 0.00 176.83 177.08 2qoz h GLN 31 N -0.14 0.14 -0.93 3.45 1.08 -1.91 0.20 115.11 116.99 2qoz h GLN 31 Ca 0.15 -0.03 0.21 0.00 -1.45 0.00 0.00 58.65 57.53 2qoz h GLN 31 Cb 0.36 -0.02 -0.07 0.00 -0.05 0.00 0.00 27.48 27.70 2qoz h GLN 31 CO -0.36 0.29 0.61 0.00 -0.95 0.00 0.00 178.83 178.42 2qoz h ALA 32 N 0.84 2.17 0.10 3.87 0.00 -1.24 0.42 119.26 125.42 2qoz h ALA 32 Ca 0.03 0.03 -0.27 0.00 0.00 0.00 0.00 54.91 54.69 2qoz h ALA 32 Cb 0.21 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.99 2qoz h ALA 32 CO -0.00 -0.48 -1.17 1.25 0.00 0.00 0.00 179.25 178.85 2qoz h LEU 33 N 0.44 0.63 -2.06 0.00 6.46 0.62 -3.01 115.31 118.39 2qoz h LEU 33 Ca 0.50 -0.59 0.11 0.00 -0.12 0.00 0.00 57.88 57.77 2qoz h LEU 33 Cb 1.20 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 40.91 2qoz h LEU 33 CO -0.21 1.42 0.30 0.44 -0.62 0.00 0.00 178.44 179.78 2qoz h ASP 34 N 0.19 0.00 0.14 1.25 3.45 0.30 -1.52 116.42 120.23 2qoz h ASP 34 Ca -0.14 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.31 2qoz h ASP 34 Cb 1.85 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.62 2qoz h ASP 34 CO 0.21 0.00 -0.07 0.40 -1.57 0.00 0.00 179.24 178.21 2qoz h ILE 35 N 0.00 0.00 -0.82 0.35 1.08 -0.99 -3.24 117.51 113.88 2qoz h ILE 35 Ca 0.18 -0.10 0.16 0.00 -0.39 0.00 0.00 64.86 64.71 2qoz h ILE 35 Cb 0.78 0.00 -0.16 0.00 -3.07 0.00 0.00 36.82 34.38 2qoz h ILE 35 CO -0.00 0.00 -0.22 -0.07 -0.69 0.00 0.00 178.15 177.17 2qoz h LEU 36 N -0.29 -0.80 -1.34 1.44 4.07 -1.43 1.25 115.31 118.20 2qoz h LEU 36 Ca -0.02 0.25 0.00 0.00 0.08 0.00 0.00 57.88 58.19 2qoz h LEU 36 Cb 0.15 0.52 0.00 0.00 1.08 0.00 0.00 40.66 42.41 2qoz h LEU 36 CO 0.03 -0.27 0.34 0.71 -1.08 0.00 0.00 178.44 178.17 2qoz h THR 37 N -0.01 0.00 -1.53 0.22 1.35 -1.39 -1.17 112.91 110.39 2qoz h THR 37 Ca 0.39 0.00 -0.46 0.00 -0.55 0.00 0.00 66.41 65.79 2qoz h THR 37 Cb 0.60 0.45 -0.41 0.00 -1.73 0.00 0.00 68.15 67.06 2qoz h THR 37 CO -0.85 0.00 -1.04 -1.22 -0.25 0.00 0.00 175.52 172.16 2qoz n TYR 38 N -2.44 1.69 -3.47 4.73 0.53 0.43 -4.98 117.16 113.65 2qoz n TYR 38 Ca -0.01 -3.28 -0.26 0.00 -1.02 0.00 0.00 57.90 53.33 2qoz n TYR 38 Cb 0.37 -0.35 -0.12 0.00 -1.03 0.00 0.00 39.34 38.21 2qoz n TYR 38 CO 0.00 0.00 0.00 0.99 -1.02 0.00 0.00 176.86 176.83 2qoz s THR 39 N -3.57 -0.06 -0.52 -0.72 2.01 -0.44 -4.93 115.64 107.40 2qoz s THR 39 Ca 0.37 -1.13 -0.27 0.00 0.31 0.00 0.00 61.69 60.97 2qoz s THR 39 Cb 0.40 -0.99 -0.27 0.00 0.01 0.00 0.00 72.50 71.65 2qoz s THR 39 CO -0.06 -0.78 1.81 -0.46 -0.69 0.00 0.00 174.62 174.43 2qoz n ASN 40 N 4.64 1.68 -3.65 3.53 0.23 -1.26 -4.73 115.26 115.70 2qoz n ASN 40 Ca 0.04 -2.57 -0.06 0.00 -0.53 0.00 0.00 54.58 51.46 2qoz n ASN 40 Cb 0.41 -1.01 -0.07 0.00 -2.08 0.00 0.00 39.78 37.03 2qoz n ASN 40 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 2qoz s LYS 41 N 6.68 0.58 0.04 -3.83 1.02 -1.26 -5.07 119.74 117.91 2qoz s LYS 41 Ca 0.68 1.20 -0.07 0.00 0.02 0.00 0.00 55.97 57.80 2qoz s LYS 41 Cb 0.10 0.33 -0.02 0.00 -0.52 0.00 0.00 37.83 37.72 2qoz s LYS 41 CO 0.24 -0.18 0.46 1.17 -0.92 0.00 0.00 175.35 176.13 2qoz n LYS 42 N 4.72 -0.10 0.24 1.68 3.00 -1.26 0.14 118.16 126.58 2qoz n LYS 42 Ca -0.17 0.46 0.11 0.00 -0.00 0.00 0.00 58.31 58.70 2qoz n LYS 42 Cb 0.55 -0.67 0.41 0.00 0.00 0.00 0.00 35.03 35.31 2qoz n LYS 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2qoz h ALA 43 N 0.00 1.92 -1.32 3.14 0.00 -1.95 -2.89 119.26 118.16 2qoz h ALA 43 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2qoz h ALA 43 Cb 0.09 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2qoz h ALA 43 CO -0.21 -0.84 0.00 0.00 0.00 0.00 0.00 179.25 178.19 2qoz n ALA 44 N -1.81 -0.27 -0.36 0.00 0.00 0.37 -2.17 120.51 116.27 2qoz n ALA 44 Ca 0.03 0.00 0.34 0.00 0.00 0.00 0.00 53.44 53.81 2qoz n ALA 44 Cb 0.83 0.01 0.61 0.00 0.00 0.00 0.00 19.45 20.90 2qoz n ALA 44 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2qoz n VAL 45 N -1.37 -0.36 0.00 0.00 0.24 -1.09 0.11 118.33 115.86 2qoz n VAL 45 Ca 0.00 1.92 0.00 0.00 -2.04 0.00 0.00 64.34 64.22 2qoz n VAL 45 Cb 0.00 -3.12 0.00 0.00 -1.47 0.00 0.00 33.84 29.25 2qoz n VAL 45 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2qoz n LEU 46 N -5.04 0.00 -0.24 1.34 4.77 -1.17 0.26 117.00 116.93 2qoz n LEU 46 Ca 0.38 0.66 0.28 0.00 -0.03 0.00 0.00 56.01 57.30 2qoz n LEU 46 Cb 1.35 -0.16 0.67 0.00 -2.33 0.00 0.00 43.42 42.94 2qoz n LEU 46 CO 0.06 -0.16 1.26 -0.37 -1.33 0.00 0.00 177.39 176.85 2qoz h VAL 47 N 0.00 0.54 0.12 4.08 -1.51 -0.83 0.36 116.25 119.01 2qoz h VAL 47 Ca 0.00 -0.04 0.01 0.00 -1.23 0.00 0.00 66.70 65.44 2qoz h VAL 47 Cb 0.00 0.41 -0.03 0.00 -2.13 0.00 0.00 31.29 29.55 2qoz h VAL 47 CO 0.00 0.02 -0.20 0.50 -1.23 0.00 0.00 177.57 176.66 2qoz h LYS 48 N 0.12 -0.37 0.11 5.19 1.63 0.11 0.24 116.57 123.59 2qoz h LYS 48 Ca 0.48 0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 60.30 2qoz h LYS 48 Cb 1.70 0.09 0.00 0.00 -0.60 0.00 0.00 32.23 33.42 2qoz h LYS 48 CO -0.07 -0.25 -0.05 0.87 -3.45 0.00 0.00 179.45 176.50 2qoz h LYS 49 N -0.39 -0.14 -0.95 1.90 1.57 0.37 -0.82 116.57 118.11 2qoz h LYS 49 Ca 0.02 0.01 0.26 0.00 -1.87 0.00 0.00 60.65 59.07 2qoz h LYS 49 Cb 0.40 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.69 2qoz h LYS 49 CO -0.11 0.15 0.66 0.28 -0.57 0.00 0.00 179.45 179.87 2qoz h VAL 50 N -0.43 0.55 0.15 0.50 2.07 -0.77 0.30 116.25 118.62 2qoz h VAL 50 Ca -0.01 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 2qoz h VAL 50 Cb 0.36 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 2qoz h VAL 50 CO 0.02 0.02 -0.07 0.25 0.02 0.00 0.00 177.57 177.81 2qoz h LEU 51 N 0.13 -0.17 -0.15 2.57 5.85 -0.20 -2.37 115.31 120.97 2qoz h LEU 51 Ca 0.47 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.96 2qoz h LEU 51 Cb 1.65 0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.72 2qoz h LEU 51 CO -0.07 0.39 0.00 -1.84 -0.34 0.00 0.00 178.44 176.57 2qoz n GLU 52 N -4.89 0.46 -0.06 1.25 0.28 -0.34 0.09 120.64 117.43 2qoz n GLU 52 Ca -0.05 0.00 -0.06 0.00 -0.16 0.00 0.00 57.16 56.89 2qoz n GLU 52 Cb 0.20 -1.03 -0.09 0.00 1.43 0.00 0.00 31.44 31.95 2qoz n GLU 52 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2qoz n SER 53 N -0.39 2.26 0.07 -1.84 2.88 0.92 -4.05 113.62 113.47 2qoz n SER 53 Ca 0.00 -0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.31 2qoz n SER 53 Cb 0.02 0.75 -0.15 0.00 -0.75 0.00 0.00 64.21 64.08 2qoz n SER 53 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2qoz h ALA 54 N 0.54 0.14 -0.14 -1.46 0.00 -0.17 -2.91 119.26 115.27 2qoz h ALA 54 Ca -0.30 -1.13 0.04 0.00 0.00 0.00 0.00 54.91 53.52 2qoz h ALA 54 Cb 1.68 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 19.92 2qoz h ALA 54 CO 0.01 0.99 0.12 0.97 0.00 0.00 0.00 179.25 181.35 2qoz h ILE 55 N 0.07 0.72 0.39 0.00 6.09 -0.57 0.67 117.51 124.87 2qoz h ILE 55 Ca -0.34 0.00 -0.02 0.00 -1.37 0.00 0.00 64.86 63.13 2qoz h ILE 55 Cb 2.07 0.91 0.00 0.00 0.47 0.00 0.00 36.82 40.28 2qoz h ILE 55 CO 0.17 0.00 -0.19 0.00 -3.07 0.00 0.00 178.15 175.07 2qoz h ALA 56 N 1.89 -0.52 0.00 0.18 0.00 -1.70 -2.81 119.26 116.31 2qoz h ALA 56 Ca 0.07 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2qoz h ALA 56 Cb 0.31 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2qoz h ALA 56 CO -0.00 -0.48 0.17 -0.91 0.00 0.00 0.00 179.25 178.03 2qoz h ASN 57 N -1.13 0.00 0.44 0.00 -0.26 -1.14 0.74 115.58 114.23 2qoz h ASN 57 Ca -0.05 0.00 -0.14 0.00 -0.56 0.00 0.00 56.30 55.55 2qoz h ASN 57 Cb 0.41 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.65 2qoz h ASN 57 CO 0.09 0.00 -0.59 0.00 -1.06 0.00 0.00 177.43 175.87 2qoz h ALA 58 N 1.64 0.92 -0.72 -0.83 0.00 0.50 -3.28 119.26 117.49 2qoz h ALA 58 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2qoz h ALA 58 Cb 0.34 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2qoz h ALA 58 CO 0.00 0.73 0.00 0.39 0.00 0.00 0.00 179.25 180.37 2qoz n GLU 59 N -3.87 0.00 -0.76 0.00 -0.58 0.24 -1.16 120.64 114.52 2qoz n GLU 59 Ca -0.02 0.21 -0.30 0.00 -0.42 0.00 0.00 57.16 56.62 2qoz n GLU 59 Cb 0.60 -0.65 0.26 0.00 -0.57 0.00 0.00 31.44 31.08 2qoz n GLU 59 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 2qoz s HIS 60 N -0.76 -0.01 0.00 -0.32 2.46 -0.42 -4.06 115.29 112.18 2qoz s HIS 60 Ca 0.00 0.54 0.00 0.00 0.47 0.00 0.00 55.06 56.07 2qoz s HIS 60 Cb 0.00 -3.20 0.00 0.00 -0.13 0.00 0.00 32.58 29.25 2qoz s HIS 60 CO 0.00 -4.39 0.00 0.09 -2.47 0.00 0.00 174.74 167.97 2qoz n ASN 61 N -5.16 0.00 -4.23 9.88 4.13 -1.26 -4.36 115.26 114.25 2qoz n ASN 61 Ca 0.13 0.00 -0.32 0.00 1.68 0.00 0.00 54.58 56.07 2qoz n ASN 61 Cb 0.60 0.00 -0.17 0.00 -1.54 0.00 0.00 39.78 38.67 2qoz n ASN 61 CO 0.00 0.00 0.00 1.51 0.28 0.00 0.00 177.26 179.05 2qoz s ASP 62 N -4.00 3.11 0.00 6.41 -4.77 -1.24 -5.06 116.67 111.13 2qoz s ASP 62 Ca 0.00 -0.55 0.00 0.00 -3.30 0.00 0.00 52.55 48.70 2qoz s ASP 62 Cb 0.00 -1.35 0.00 0.00 -1.09 0.00 0.00 42.92 40.48 2qoz s ASP 62 CO 0.00 0.17 0.00 0.61 0.70 0.00 0.00 175.17 176.65 2qoz n GLY 63 N 3.45 -2.52 3.58 2.12 0.00 -1.25 -4.20 105.19 106.38 2qoz n GLY 63 Ca -0.19 -2.19 -0.08 0.00 0.00 0.00 0.00 46.02 43.56 2qoz n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qoz s ALA 64 N -1.03 -1.97 0.44 4.61 0.00 -0.31 -4.52 121.76 118.98 2qoz s ALA 64 Ca 0.00 1.59 0.00 0.00 0.00 0.00 0.00 51.96 53.55 2qoz s ALA 64 Cb 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 23.12 22.43 2qoz s ALA 64 CO 0.00 -0.36 0.00 -3.47 0.00 0.00 0.00 175.76 171.93 2qoz n ASP 65 N 0.51 -8.31 -0.13 0.00 4.64 -1.26 -4.89 116.55 107.11 2qoz n ASP 65 Ca -0.07 1.18 -0.22 0.00 -1.38 0.00 0.00 54.79 54.29 2qoz n ASP 65 Cb 0.58 -4.41 -0.11 0.00 -1.04 0.00 0.00 41.12 36.14 2qoz n ASP 65 CO 0.00 0.00 0.00 2.30 -0.82 0.00 0.00 177.20 178.68 2qoz n ILE 66 N -0.43 1.52 0.19 5.18 -0.00 -1.26 -4.43 119.36 120.13 2qoz n ILE 66 Ca 0.00 -0.50 0.08 0.00 -0.00 0.00 0.00 62.75 62.32 2qoz n ILE 66 Cb 0.00 -1.59 0.41 0.00 -0.00 0.00 0.00 39.64 38.46 2qoz n ILE 66 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.55 176.99 2qoz h ASP 67 N -0.34 0.00 -0.60 7.28 3.32 -2.01 0.31 116.42 124.38 2qoz h ASP 67 Ca -0.61 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.29 2qoz h ASP 67 Cb 1.80 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 41.26 2qoz h ASP 67 CO -0.19 0.00 0.16 -0.90 -1.72 0.00 0.00 179.24 176.59 2qoz n ASP 68 N -2.16 4.58 -4.67 6.45 5.75 -1.26 -4.97 116.55 120.26 2qoz n ASP 68 Ca -0.01 -3.21 -0.24 0.00 -0.01 0.00 0.00 54.79 51.33 2qoz n ASP 68 Cb 0.33 -0.69 -0.07 0.00 -1.03 0.00 0.00 41.12 39.65 2qoz n ASP 68 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2qoz s LEU 69 N -2.97 3.12 -0.28 -2.12 1.02 0.11 -4.55 118.68 113.01 2qoz s LEU 69 Ca 0.52 -0.86 -0.12 0.00 0.02 0.00 0.00 54.13 53.69 2qoz s LEU 69 Cb 0.42 -1.55 0.11 0.00 0.02 0.00 0.00 46.19 45.18 2qoz s LEU 69 CO 0.12 -0.23 0.64 -1.59 0.02 0.00 0.00 176.35 175.31 2qoz s LYS 70 N -3.76 0.60 -0.86 1.70 -2.85 -0.87 -3.87 119.74 109.83 2qoz s LYS 70 Ca 0.35 1.32 -0.22 0.00 -1.00 0.00 0.00 55.97 56.43 2qoz s LYS 70 Cb -0.02 0.53 -0.19 0.00 -2.06 0.00 0.00 37.83 36.09 2qoz s LYS 70 CO 0.21 -0.18 1.98 1.55 0.10 0.00 0.00 175.35 179.00 2qoz n VAL 71 N 4.97 0.00 0.14 1.79 3.14 -0.30 -2.19 118.33 125.88 2qoz n VAL 71 Ca -0.15 -0.17 0.13 0.00 -2.96 0.00 0.00 64.34 61.18 2qoz n VAL 71 Cb 0.53 -1.59 0.65 0.00 -1.06 0.00 0.00 33.84 32.37 2qoz n VAL 71 CO 0.00 0.00 0.00 0.71 -6.46 0.00 0.00 176.83 171.08 2qoz h THR 72 N 6.91 0.89 -2.35 1.55 1.35 -1.11 0.21 112.91 120.36 2qoz h THR 72 Ca 0.00 -0.01 -0.08 0.00 -0.55 0.00 0.00 66.41 65.78 2qoz h THR 72 Cb 1.00 0.87 -0.21 0.00 -1.73 0.00 0.00 68.15 68.08 2qoz h THR 72 CO 1.02 0.00 -0.00 -0.54 -0.25 0.00 0.00 175.52 175.76 2qoz s LYS 73 N -5.06 0.81 -0.06 4.72 -0.14 -0.50 -4.66 119.74 114.84 2qoz s LYS 73 Ca -0.05 0.44 -0.24 0.00 -1.36 0.00 0.00 55.97 54.76 2qoz s LYS 73 Cb 0.18 0.38 0.05 0.00 -1.68 0.00 0.00 37.83 36.77 2qoz s LYS 73 CO 0.70 -0.18 0.54 -1.50 -0.76 0.00 0.00 175.35 174.15 2qoz s ILE 74 N -0.50 0.02 0.00 2.17 2.07 -1.26 0.16 121.20 123.85 2qoz s ILE 74 Ca -0.06 -0.16 0.00 0.00 -1.41 0.00 0.00 60.65 59.02 2qoz s ILE 74 Cb -0.03 -0.85 0.00 0.00 0.13 0.00 0.00 42.46 41.71 2qoz s ILE 74 CO 0.05 -0.09 0.00 2.22 -1.91 0.00 0.00 174.94 175.21 2qoz n PHE 75 N 1.29 0.00 -4.36 3.50 -1.74 -0.66 -4.96 117.46 110.53 2qoz n PHE 75 Ca -0.19 0.00 -0.23 0.00 -0.56 0.00 0.00 57.45 56.47 2qoz n PHE 75 Cb 0.57 0.00 -0.11 0.00 1.52 0.00 0.00 39.48 41.45 2qoz n PHE 75 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 2qoz s VAL 76 N -2.00 1.97 -0.00 1.97 -7.23 -1.26 0.10 120.40 113.94 2qoz s VAL 76 Ca 0.00 -1.98 0.02 0.00 -1.81 0.00 0.00 61.98 58.21 2qoz s VAL 76 Cb 0.00 -1.94 -0.01 0.00 0.56 0.00 0.00 36.38 35.00 2qoz s VAL 76 CO 0.00 -0.29 -0.07 -1.81 -0.31 0.00 0.00 175.10 172.62 2qoz s ASP 77 N -2.74 0.87 -0.44 4.85 1.11 -1.21 -4.88 116.67 114.23 2qoz s ASP 77 Ca 0.18 -0.15 -0.43 0.00 0.18 0.00 0.00 52.55 52.32 2qoz s ASP 77 Cb -0.06 -0.09 -0.18 0.00 1.07 0.00 0.00 42.92 43.66 2qoz s ASP 77 CO 0.08 0.08 1.88 -0.62 1.18 0.00 0.00 175.17 177.77 2qoz n GLU 78 N 2.83 0.36 -3.33 8.23 1.02 -1.26 -1.76 120.64 126.71 2qoz n GLU 78 Ca -0.14 0.12 -0.21 0.00 -0.02 0.00 0.00 57.16 56.92 2qoz n GLU 78 Cb 0.57 -1.73 -0.00 0.00 -0.02 0.00 0.00 31.44 30.26 2qoz n GLU 78 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2qoz s GLY 79 N 4.64 1.55 -0.32 0.62 0.00 -1.06 -4.84 107.32 107.90 2qoz s GLY 79 Ca 1.09 -1.28 -0.38 0.00 0.00 0.00 0.00 44.72 44.16 2qoz s GLY 79 CO 0.70 -1.17 2.02 -1.05 0.00 0.00 0.00 173.10 173.59 2qoz n PRO 80 N -1.78 1.10 -3.05 2.90 -0.02 -1.26 -3.35 135.00 129.53 2qoz n PRO 80 Ca -0.00 0.35 -0.34 0.00 -2.02 0.00 0.00 63.50 61.49 2qoz n PRO 80 Cb 0.58 -2.28 -0.06 0.00 -0.02 0.00 0.00 33.50 31.72 2qoz n PRO 80 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2qoz s SER 81 N 5.73 6.90 -0.70 2.55 1.04 -1.26 -3.96 113.70 124.01 2qoz s SER 81 Ca 1.06 1.42 -0.15 0.00 0.48 0.00 0.00 55.95 58.75 2qoz s SER 81 Cb -0.97 -2.42 0.17 0.00 0.10 0.00 0.00 66.02 62.90 2qoz s SER 81 CO 0.56 -0.17 0.68 -0.04 0.98 0.00 0.00 173.24 175.25 2qoz s MET 82 N -2.72 3.32 0.51 4.02 -1.94 0.18 -4.86 119.30 117.81 2qoz s MET 82 Ca 0.53 -2.04 -0.21 0.00 -1.71 0.00 0.00 55.69 52.26 2qoz s MET 82 Cb -0.12 -4.39 -0.08 0.00 2.01 0.00 0.00 34.83 32.25 2qoz s MET 82 CO 0.18 -1.35 0.90 1.63 -0.01 0.00 0.00 175.02 176.36 2qoz n LYS 83 N 4.80 1.02 -1.31 2.03 4.76 -1.26 -2.79 118.16 125.41 2qoz n LYS 83 Ca 0.01 0.38 0.00 0.00 -2.87 0.00 0.00 58.31 55.83 2qoz n LYS 83 Cb 0.44 -2.02 0.00 0.00 -1.84 0.00 0.00 35.03 31.61 2qoz n LYS 83 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 2qoz n ARG 84 N -0.31 0.00 -4.04 1.97 3.00 -1.03 -4.92 116.66 111.33 2qoz n ARG 84 Ca 0.11 0.00 -0.18 0.00 -0.00 0.00 0.00 57.85 57.78 2qoz n ARG 84 Cb 0.44 0.00 -0.16 0.00 0.00 0.00 0.00 32.46 32.74 2qoz n ARG 84 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2qoz s ILE 85 N -2.32 0.33 -0.13 5.15 1.09 -1.25 -4.42 121.20 119.66 2qoz s ILE 85 Ca 0.00 -0.02 -0.00 0.00 -1.10 0.00 0.00 60.65 59.53 2qoz s ILE 85 Cb 0.00 -0.39 0.03 0.00 -1.06 0.00 0.00 42.46 41.04 2qoz s ILE 85 CO 0.00 0.17 -0.08 -0.32 -0.10 0.00 0.00 174.94 174.61 2qoz s MET 86 N 0.90 1.65 1.23 2.79 1.75 0.46 -4.92 119.30 123.16 2qoz s MET 86 Ca -0.10 -0.37 -0.17 0.00 -1.25 0.00 0.00 55.69 53.80 2qoz s MET 86 Cb -0.13 -1.77 0.26 0.00 2.84 0.00 0.00 34.83 36.03 2qoz s MET 86 CO -0.01 -0.30 0.64 -2.30 -0.65 0.00 0.00 175.02 172.40 2qoz n PRO 87 N 4.90 -2.96 -3.57 4.11 -0.02 -1.26 0.27 135.00 136.47 2qoz n PRO 87 Ca -0.13 -0.86 -0.09 0.00 -2.02 0.00 0.00 63.50 60.40 2qoz n PRO 87 Cb 0.49 -1.89 -0.04 0.00 -0.02 0.00 0.00 33.50 32.04 2qoz n PRO 87 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2qoz s ARG 88 N -4.21 0.57 0.23 -0.52 6.06 0.12 -4.64 118.95 116.57 2qoz s ARG 88 Ca 0.61 0.01 -0.30 0.00 -2.50 0.00 0.00 55.73 53.55 2qoz s ARG 88 Cb -0.16 0.27 -0.15 0.00 0.06 0.00 0.00 34.95 34.96 2qoz s ARG 88 CO 0.59 -0.21 0.99 0.00 -2.50 0.00 0.00 175.30 174.18 2qoz n ALA 89 N 0.41 -0.84 -2.89 6.12 0.00 -1.26 -2.35 120.51 119.70 2qoz n ALA 89 Ca -0.08 0.42 -0.10 0.00 0.00 0.00 0.00 53.44 53.69 2qoz n ALA 89 Cb 0.59 -1.96 0.04 0.00 0.00 0.00 0.00 19.45 18.11 2qoz n ALA 89 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2qoz n LYS 90 N 1.11 -3.31 -0.95 0.00 5.02 -1.26 -3.55 118.16 115.22 2qoz n LYS 90 Ca 0.13 0.36 0.00 0.00 -2.02 0.00 0.00 58.31 56.78 2qoz n LYS 90 Cb 0.28 -3.96 0.00 0.00 -0.02 0.00 0.00 35.03 31.33 2qoz n LYS 90 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qoz n GLY 91 N -1.13 0.00 3.78 0.72 0.00 -1.10 -4.95 105.19 102.50 2qoz n GLY 91 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 2qoz n GLY 91 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qoz s ARG 92 N -1.90 4.38 0.31 1.61 0.52 -0.99 -4.86 118.95 118.02 2qoz s ARG 92 Ca 0.00 1.51 0.09 0.00 -0.52 0.00 0.00 55.73 56.81 2qoz s ARG 92 Cb 0.00 -2.74 -0.05 0.00 0.52 0.00 0.00 34.95 32.68 2qoz s ARG 92 CO 0.00 0.05 0.03 0.00 0.02 0.00 0.00 175.30 175.40 2qoz s ALA 93 N -1.55 3.25 -0.01 2.13 0.00 -1.26 0.15 121.76 124.46 2qoz s ALA 93 Ca 0.53 -1.82 0.00 0.00 0.00 0.00 0.00 51.96 50.68 2qoz s ALA 93 Cb -0.23 -0.60 0.01 0.00 0.00 0.00 0.00 23.12 22.30 2qoz s ALA 93 CO 0.29 0.14 -0.01 -0.51 0.00 0.00 0.00 175.76 175.67 2qoz s ASP 94 N -3.73 0.21 0.24 0.00 1.01 0.14 -4.92 116.67 109.63 2qoz s ASP 94 Ca 0.34 -0.02 -0.06 0.00 0.71 0.00 0.00 52.55 53.52 2qoz s ASP 94 Cb -0.03 -0.06 0.45 0.00 1.01 0.00 0.00 42.92 44.28 2qoz s ASP 94 CO 0.20 -0.03 1.65 -0.09 0.21 0.00 0.00 175.17 177.12 2qoz h ARG 95 N 6.51 0.16 -6.21 8.23 9.65 -1.87 0.13 114.38 130.97 2qoz h ARG 95 Ca -0.32 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.55 2qoz h ARG 95 Cb 1.18 -0.04 -0.00 0.00 -1.39 0.00 0.00 29.97 29.72 2qoz h ARG 95 CO 0.50 0.10 -0.65 1.51 2.80 0.00 0.00 179.97 184.23 2qoz n ILE 96 N -5.27 -2.31 -3.11 1.20 3.06 -1.26 -2.45 119.36 109.22 2qoz n ILE 96 Ca 0.14 0.43 -0.32 0.00 -2.50 0.00 0.00 62.75 60.50 2qoz n ILE 96 Cb 0.47 -3.06 -0.05 0.00 0.54 0.00 0.00 39.64 37.54 2qoz n ILE 96 CO 0.00 0.00 0.00 -0.76 -2.50 0.00 0.00 176.55 173.29 2qoz s LEU 97 N -0.65 4.01 -0.52 9.51 2.01 -1.26 -2.64 118.68 129.14 2qoz s LEU 97 Ca -0.01 1.17 0.05 0.00 0.01 0.00 0.00 54.13 55.35 2qoz s LEU 97 Cb 0.00 -3.99 0.18 0.00 0.01 0.00 0.00 46.19 42.40 2qoz s LEU 97 CO 0.05 -0.24 0.44 0.29 1.01 0.00 0.00 176.35 177.90 2qoz n LYS 98 N -0.61 0.94 -1.87 1.70 5.02 -1.12 -4.94 118.16 117.28 2qoz n LYS 98 Ca 0.03 -3.71 -0.32 0.00 -2.02 0.00 0.00 58.31 52.28 2qoz n LYS 98 Cb 0.53 -1.87 0.02 0.00 -0.02 0.00 0.00 35.03 33.70 2qoz n LYS 98 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 2qoz s ARG 99 N -0.74 3.24 0.00 1.97 1.70 -1.26 0.50 118.95 124.35 2qoz s ARG 99 Ca 0.31 1.04 0.00 0.00 -0.47 0.00 0.00 55.73 56.61 2qoz s ARG 99 Cb 0.03 -2.03 0.00 0.00 -0.57 0.00 0.00 34.95 32.39 2qoz s ARG 99 CO -0.17 -0.86 0.00 0.25 -1.08 0.00 0.00 175.30 173.44 2qoz n THR 100 N -2.50 0.00 -3.59 4.99 -2.24 -1.21 -4.17 114.28 105.55 2qoz n THR 100 Ca 0.08 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.82 2qoz n THR 100 Cb 0.53 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.75 2qoz n THR 100 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2qoz s SER 101 N 1.00 -0.18 -0.54 3.42 1.04 -1.17 -2.57 113.70 114.70 2qoz s SER 101 Ca 0.00 -0.06 0.04 0.00 0.48 0.00 0.00 55.95 56.41 2qoz s SER 101 Cb 0.00 0.23 0.14 0.00 0.10 0.00 0.00 66.02 66.49 2qoz s SER 101 CO 0.00 -0.39 0.30 -1.00 0.98 0.00 0.00 173.24 173.13 2qoz s HIS 102 N -2.65 3.04 -0.13 5.02 3.76 -0.72 0.10 115.29 123.71 2qoz s HIS 102 Ca 0.09 -3.09 -0.29 0.00 -0.15 0.00 0.00 55.06 51.63 2qoz s HIS 102 Cb 0.00 -2.64 -0.04 0.00 1.11 0.00 0.00 32.58 31.01 2qoz s HIS 102 CO -0.05 -0.72 1.66 0.42 -0.85 0.00 0.00 174.74 175.21 2qoz s ILE 103 N -0.39 3.61 -0.25 0.60 1.01 -1.08 -3.30 121.20 121.39 2qoz s ILE 103 Ca 0.19 0.71 0.01 0.00 0.00 0.00 0.00 60.65 61.56 2qoz s ILE 103 Cb -0.22 -3.54 0.05 0.00 0.01 0.00 0.00 42.46 38.76 2qoz s ILE 103 CO -0.03 -0.15 -0.10 0.42 0.00 0.00 0.00 174.94 175.08 2qoz s THR 104 N 4.69 2.40 -0.09 2.92 -4.23 0.11 0.95 115.64 122.40 2qoz s THR 104 Ca 0.74 -1.40 -0.05 0.00 -1.18 0.00 0.00 61.69 59.80 2qoz s THR 104 Cb -0.30 -2.32 -0.04 0.00 1.34 0.00 0.00 72.50 71.18 2qoz s THR 104 CO 0.29 0.08 0.11 -0.69 -0.54 0.00 0.00 174.62 173.87 2qoz s VAL 105 N 1.19 5.19 -0.24 2.29 1.01 0.14 -1.65 120.40 128.32 2qoz s VAL 105 Ca -0.05 0.01 -0.03 0.00 0.00 0.00 0.00 61.98 61.92 2qoz s VAL 105 Cb -0.18 -3.28 0.08 0.00 0.00 0.00 0.00 36.38 32.99 2qoz s VAL 105 CO -0.05 0.55 0.07 -0.69 0.00 0.00 0.00 175.10 174.98 2qoz s VAL 106 N -1.05 0.50 -0.21 2.92 1.01 0.41 -1.22 120.40 122.76 2qoz s VAL 106 Ca 0.17 -0.78 -0.06 0.00 0.00 0.00 0.00 61.98 61.31 2qoz s VAL 106 Cb -0.12 -1.16 -0.03 0.00 0.00 0.00 0.00 36.38 35.07 2qoz s VAL 106 CO 0.07 -0.40 0.04 0.54 0.00 0.00 0.00 175.10 175.34 2qoz s VAL 107 N 1.85 4.30 0.00 2.92 0.11 -1.24 -0.54 120.40 127.80 2qoz s VAL 107 Ca 0.03 -0.19 0.00 0.00 -2.93 0.00 0.00 61.98 58.89 2qoz s VAL 107 Cb -0.17 -2.96 0.00 0.00 -1.53 0.00 0.00 36.38 31.72 2qoz s VAL 107 CO -0.16 0.41 0.00 -0.24 -3.33 0.00 0.00 175.10 171.78 2qoz n SER 108 N 4.19 0.66 -0.13 3.54 2.88 -0.93 -4.32 113.62 119.52 2qoz n SER 108 Ca -0.17 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.20 2qoz n SER 108 Cb 0.52 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.86 2qoz n SER 108 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2qoz n ASP 109 N 0.00 2.04 0.00 -3.46 9.92 -1.26 -2.06 116.55 121.74 2qoz n ASP 109 Ca 0.00 -0.13 0.00 0.00 -0.53 0.00 0.00 54.79 54.13 2qoz n ASP 109 Cb 0.00 -0.40 0.00 0.00 -0.64 0.00 0.00 41.12 40.08 2qoz n ASP 109 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19