#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qbe s LYS 2 N 0.00 3.04 0.34 0.00 2.20 -1.26 -4.98 119.74 119.08 1qbe s LYS 2 Ca 0.00 1.49 -0.27 0.00 -0.36 0.00 0.00 55.97 56.82 1qbe s LYS 2 Cb 0.00 -1.97 -0.09 0.00 -1.51 0.00 0.00 37.83 34.25 1qbe s LYS 2 CO 0.00 -1.07 1.16 -0.51 -0.36 0.00 0.00 175.35 174.56 1qbe s LEU 3 N -4.40 4.38 0.04 5.43 1.02 -1.26 -5.04 118.68 118.85 1qbe s LEU 3 Ca 0.69 2.35 -0.11 0.00 0.02 0.00 0.00 54.13 57.09 1qbe s LEU 3 Cb -0.22 -3.80 0.01 0.00 0.02 0.00 0.00 46.19 42.20 1qbe s LEU 3 CO 0.35 -0.41 0.23 -1.61 0.02 0.00 0.00 176.35 174.93 1qbe s GLU 4 N -1.87 0.73 -0.01 1.70 0.41 -1.26 -5.01 118.70 113.39 1qbe s GLU 4 Ca 0.50 -0.59 -0.30 0.00 -0.41 0.00 0.00 54.97 54.18 1qbe s GLU 4 Cb -0.32 0.31 -0.06 0.00 -1.78 0.00 0.00 34.13 32.27 1qbe s GLU 4 CO 0.41 -0.22 1.63 0.95 -0.49 0.00 0.00 175.26 177.55 1qbe s THR 5 N -2.54 3.42 -0.13 3.63 -4.23 -1.26 -4.53 115.64 110.00 1qbe s THR 5 Ca -0.05 0.67 -0.10 0.00 -1.18 0.00 0.00 61.69 61.03 1qbe s THR 5 Cb -0.01 -3.43 -0.05 0.00 1.34 0.00 0.00 72.50 70.35 1qbe s THR 5 CO -0.04 -0.04 0.20 -0.69 -0.54 0.00 0.00 174.62 173.52 1qbe s VAL 6 N 3.43 5.38 -0.23 2.29 1.01 -0.12 -4.94 120.40 127.22 1qbe s VAL 6 Ca 0.73 0.35 0.01 0.00 0.00 0.00 0.00 61.98 63.08 1qbe s VAL 6 Cb -0.35 -3.51 0.05 0.00 0.00 0.00 0.00 36.38 32.58 1qbe s VAL 6 CO 0.30 0.52 -0.08 0.42 0.00 0.00 0.00 175.10 176.26 1qbe s THR 7 N -0.35 1.73 -0.17 3.92 -4.23 -1.26 0.08 115.64 115.36 1qbe s THR 7 Ca 0.15 -1.25 -0.15 0.00 -1.18 0.00 0.00 61.69 59.26 1qbe s THR 7 Cb -0.13 -1.89 -0.04 0.00 1.34 0.00 0.00 72.50 71.78 1qbe s THR 7 CO 0.04 0.01 0.33 -0.76 -0.54 0.00 0.00 174.62 173.70 1qbe s LEU 8 N 1.32 4.22 0.23 4.79 1.43 0.57 -4.94 118.68 126.30 1qbe s LEU 8 Ca -0.05 0.52 0.11 0.00 -1.03 0.00 0.00 54.13 53.68 1qbe s LEU 8 Cb -0.18 -2.42 -0.05 0.00 0.03 0.00 0.00 46.19 43.57 1qbe s LEU 8 CO -0.07 0.05 -0.16 -0.83 0.23 0.00 0.00 176.35 175.57 1qbe s GLY 9 N 0.64 1.76 -0.82 -3.19 0.00 -1.26 0.11 107.32 104.56 1qbe s GLY 9 Ca 0.18 -1.69 -0.02 0.00 0.00 0.00 0.00 44.72 43.19 1qbe s GLY 9 CO 0.05 -1.74 0.74 0.70 0.00 0.00 0.00 173.10 172.86 1qbe n ASN 10 N -0.25 -7.36 -4.51 1.64 3.02 0.18 -4.95 115.26 103.02 1qbe n ASN 10 Ca -0.09 -0.27 -0.24 0.00 -0.03 0.00 0.00 54.58 53.95 1qbe n ASN 10 Cb 0.58 -5.06 -0.11 0.00 -0.61 0.00 0.00 39.78 34.58 1qbe n ASN 10 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1qbe s ILE 11 N -3.09 1.67 0.00 2.41 1.01 0.11 -4.70 121.20 118.61 1qbe s ILE 11 Ca 0.10 -2.05 0.00 0.00 0.00 0.00 0.00 60.65 58.70 1qbe s ILE 11 Cb -0.02 -2.77 0.00 0.00 0.01 0.00 0.00 42.46 39.69 1qbe s ILE 11 CO 0.76 -0.09 0.00 0.61 0.00 0.00 0.00 174.94 176.22 1qbe n GLY 12 N -0.77 -0.28 0.29 6.18 0.00 -1.26 -1.05 105.19 108.31 1qbe n GLY 12 Ca -0.04 -1.78 -0.07 0.00 0.00 0.00 0.00 46.02 44.13 1qbe n GLY 12 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1qbe h LYS 13 N 0.00 -0.19 0.00 1.61 3.64 -2.02 0.39 116.57 120.00 1qbe h LYS 13 Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1qbe h LYS 13 Cb 0.00 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1qbe h LYS 13 CO 0.00 -0.13 0.00 -0.40 -2.27 0.00 0.00 179.45 176.65 1qbe n ASP 14 N -5.40 0.00 -2.03 4.20 5.68 -1.26 -4.88 116.55 112.86 1qbe n ASP 14 Ca 0.02 -0.01 -0.17 0.00 -0.50 0.00 0.00 54.79 54.12 1qbe n ASP 14 Cb 0.32 -0.31 -0.04 0.00 -1.14 0.00 0.00 41.12 39.95 1qbe n ASP 14 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1qbe n GLY 15 N 0.96 0.42 0.41 6.12 0.00 0.14 -4.82 105.19 108.41 1qbe n GLY 15 Ca 0.12 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.22 1qbe n GLY 15 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1qbe n LYS 16 N -2.60 2.18 -4.04 1.61 -0.00 -0.94 -3.50 118.16 110.87 1qbe n LYS 16 Ca -0.19 -2.53 -0.22 0.00 -0.00 0.00 0.00 58.31 55.37 1qbe n LYS 16 Cb 0.62 -1.56 -0.05 0.00 -0.00 0.00 0.00 35.03 34.04 1qbe n LYS 16 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1qbe s GLN 17 N -2.53 2.58 0.01 -1.58 -0.21 -0.21 -4.81 119.66 112.91 1qbe s GLN 17 Ca 0.32 -1.35 0.02 0.00 0.02 0.00 0.00 55.36 54.36 1qbe s GLN 17 Cb 0.26 -2.34 -0.01 0.00 1.00 0.00 0.00 33.01 31.92 1qbe s GLN 17 CO 0.06 0.20 -0.05 0.95 -2.12 0.00 0.00 175.29 174.32 1qbe s THR 18 N -2.32 0.41 -0.06 -0.19 -4.23 -1.26 0.07 115.64 108.06 1qbe s THR 18 Ca 0.37 -0.41 0.05 0.00 -1.18 0.00 0.00 61.69 60.51 1qbe s THR 18 Cb -0.05 -0.39 -0.02 0.00 1.34 0.00 0.00 72.50 73.39 1qbe s THR 18 CO 0.24 -0.01 -0.20 -0.22 -0.54 0.00 0.00 174.62 173.89 1qbe s LEU 19 N -0.46 2.37 -0.27 4.79 2.96 0.12 -4.96 118.68 123.23 1qbe s LEU 19 Ca -0.01 -0.38 0.02 0.00 -0.22 0.00 0.00 54.13 53.54 1qbe s LEU 19 Cb -0.04 -1.46 0.06 0.00 0.50 0.00 0.00 46.19 45.25 1qbe s LEU 19 CO -0.00 0.28 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.53 1qbe s VAL 20 N -0.36 2.34 -0.11 1.68 1.01 -1.26 -0.32 120.40 123.37 1qbe s VAL 20 Ca 0.03 -1.57 -0.05 0.00 0.00 0.00 0.00 61.98 60.39 1qbe s VAL 20 Cb -0.12 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 1qbe s VAL 20 CO 0.02 -0.03 0.09 -0.76 0.00 0.00 0.00 175.10 174.42 1qbe s LEU 21 N 1.14 4.08 0.01 3.92 1.43 0.11 -3.82 118.68 125.54 1qbe s LEU 21 Ca -0.08 0.33 0.06 0.00 -1.03 0.00 0.00 54.13 53.41 1qbe s LEU 21 Cb -0.20 -1.98 -0.03 0.00 0.03 0.00 0.00 46.19 44.01 1qbe s LEU 21 CO -0.04 0.38 -0.18 0.20 0.23 0.00 0.00 176.35 176.93 1qbe s ASN 22 N -0.85 3.76 0.22 2.29 0.01 0.62 -0.95 114.94 120.05 1qbe s ASN 22 Ca 0.13 -0.37 -0.32 0.00 -0.71 0.00 0.00 52.86 51.60 1qbe s ASN 22 Cb -0.12 -0.64 -0.12 0.00 0.41 0.00 0.00 41.25 40.78 1qbe s ASN 22 CO 0.03 0.29 1.67 -2.65 -1.51 0.00 0.00 177.10 174.93 1qbe n PRO 23 N 1.89 2.66 -0.10 -0.60 -0.02 -1.26 -2.26 135.00 135.30 1qbe n PRO 23 Ca -0.16 0.96 0.09 0.00 -2.02 0.00 0.00 63.50 62.36 1qbe n PRO 23 Cb 0.52 -2.77 0.12 0.00 -0.02 0.00 0.00 33.50 31.35 1qbe n PRO 23 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1qbe n ARG 24 N 3.42 1.24 0.00 -0.52 5.12 0.42 -4.93 116.66 121.41 1qbe n ARG 24 Ca 0.14 -2.41 0.00 0.00 -1.93 0.00 0.00 57.85 53.65 1qbe n ARG 24 Cb 0.34 -1.40 0.00 0.00 -1.16 0.00 0.00 32.46 30.24 1qbe n ARG 24 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1qbe n GLY 25 N -1.29 -0.66 3.12 -0.13 0.00 -1.25 -4.79 105.19 100.20 1qbe n GLY 25 Ca 0.14 -1.71 -0.28 0.00 0.00 0.00 0.00 46.02 44.17 1qbe n GLY 25 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qbe s VAL 26 N -1.85 1.59 -0.32 1.61 1.01 -1.26 -1.81 120.40 119.38 1qbe s VAL 26 Ca 0.00 -0.74 -0.29 0.00 0.00 0.00 0.00 61.98 60.95 1qbe s VAL 26 Cb 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 36.38 34.98 1qbe s VAL 26 CO 0.00 0.46 1.28 0.21 0.00 0.00 0.00 175.10 177.04 1qbe s ASN 27 N 0.51 6.68 0.47 3.32 3.84 -0.91 -4.88 114.94 123.98 1qbe s ASN 27 Ca -0.17 1.14 0.32 0.00 0.21 0.00 0.00 52.86 54.36 1qbe s ASN 27 Cb -0.17 -2.54 1.60 0.00 -0.55 0.00 0.00 41.25 39.59 1qbe s ASN 27 CO 0.06 -1.09 1.97 1.55 -2.79 0.00 0.00 177.10 176.81 1qbe h PRO 28 N 9.25 0.00 -0.18 0.43 0.13 -1.96 0.77 132.00 140.44 1qbe h PRO 28 Ca -0.25 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.74 1qbe h PRO 28 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 1qbe h PRO 28 CO 1.04 0.00 -0.46 1.15 -0.23 0.00 0.00 178.00 179.50 1qbe h THR 29 N 0.00 1.32 0.00 1.56 2.02 -1.99 -3.36 112.91 112.45 1qbe h THR 29 Ca 0.00 -1.66 0.00 0.00 0.77 0.00 0.00 66.41 65.52 1qbe h THR 29 Cb 0.17 1.69 0.00 0.00 -1.74 0.00 0.00 68.15 68.27 1qbe h THR 29 CO 0.00 0.51 0.00 -0.46 0.37 0.00 0.00 175.52 175.94 1qbe n ASN 30 N -3.99 0.22 -2.63 4.18 0.23 -1.01 -5.04 115.26 107.22 1qbe n ASN 30 Ca -0.02 -0.79 -0.15 0.00 -0.53 0.00 0.00 54.58 53.09 1qbe n ASN 30 Cb 0.54 0.07 0.06 0.00 -2.08 0.00 0.00 39.78 38.37 1qbe n ASN 30 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1qbe n GLY 31 N 0.07 -0.08 3.46 4.83 0.00 0.27 -4.99 105.19 108.75 1qbe n GLY 31 Ca 0.00 -0.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.58 1qbe n GLY 31 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qbe s VAL 32 N -3.23 4.76 0.34 1.61 1.01 -1.17 -4.61 120.40 119.11 1qbe s VAL 32 Ca 0.32 -0.35 -0.27 0.00 0.00 0.00 0.00 61.98 61.68 1qbe s VAL 32 Cb -0.14 -3.42 -0.09 0.00 0.00 0.00 0.00 36.38 32.73 1qbe s VAL 32 CO 0.50 0.06 1.07 0.00 0.00 0.00 0.00 175.10 176.73 1qbe s ALA 33 N 1.64 3.24 -0.01 5.51 0.00 0.83 -2.13 121.76 130.83 1qbe s ALA 33 Ca 0.05 0.79 0.03 0.00 0.00 0.00 0.00 51.96 52.83 1qbe s ALA 33 Cb -0.17 -3.30 -0.00 0.00 0.00 0.00 0.00 23.12 19.65 1qbe s ALA 33 CO 0.07 -0.18 -0.09 -1.12 0.00 0.00 0.00 175.76 174.44 1qbe s SER 34 N -1.23 1.08 0.17 0.00 0.01 -0.75 -0.79 113.70 112.19 1qbe s SER 34 Ca 0.51 -0.17 0.04 0.00 1.31 0.00 0.00 55.95 57.64 1qbe s SER 34 Cb -0.27 -0.18 -0.05 0.00 0.21 0.00 0.00 66.02 65.73 1qbe s SER 34 CO 0.34 0.09 -0.06 -0.76 0.41 0.00 0.00 173.24 173.26 1qbe s LEU 35 N -0.06 2.39 0.01 2.44 1.43 0.55 -0.44 118.68 124.99 1qbe s LEU 35 Ca 0.01 -1.09 -0.28 0.00 -1.03 0.00 0.00 54.13 51.75 1qbe s LEU 35 Cb -0.05 -0.28 0.09 0.00 0.03 0.00 0.00 46.19 45.97 1qbe s LEU 35 CO -0.00 -0.41 0.76 -0.94 0.23 0.00 0.00 176.35 175.98 1qbe s SER 36 N -3.20 -0.51 -0.11 2.29 1.04 -0.96 -1.49 113.70 110.76 1qbe s SER 36 Ca 0.21 0.25 -0.30 0.00 0.48 0.00 0.00 55.95 56.59 1qbe s SER 36 Cb 0.04 0.48 -0.02 0.00 0.10 0.00 0.00 66.02 66.63 1qbe s SER 36 CO 0.03 -0.69 1.10 -1.58 0.98 0.00 0.00 173.24 173.08 1qbe s GLN 37 N -2.51 4.36 -0.69 4.02 0.74 -0.26 -0.27 119.66 125.05 1qbe s GLN 37 Ca -0.02 1.51 -0.26 0.00 0.05 0.00 0.00 55.36 56.65 1qbe s GLN 37 Cb -0.01 -3.58 -0.12 0.00 1.10 0.00 0.00 33.01 30.41 1qbe s GLN 37 CO -0.04 -0.43 2.42 0.00 -0.55 0.00 0.00 175.29 176.69 1qbe n ALA 38 N 5.36 0.49 -2.38 1.58 0.00 -1.25 -4.40 120.51 119.91 1qbe n ALA 38 Ca 0.10 -1.24 -0.19 0.00 0.00 0.00 0.00 53.44 52.12 1qbe n ALA 38 Cb 0.47 -3.26 -0.00 0.00 0.00 0.00 0.00 19.45 16.66 1qbe n ALA 38 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1qbe s GLY 39 N 11.37 1.67 0.07 0.00 0.00 -1.26 -5.03 107.32 114.14 1qbe s GLY 39 Ca 0.95 -1.50 -0.18 0.00 0.00 0.00 0.00 44.72 43.99 1qbe s GLY 39 CO 0.15 -1.40 1.39 0.00 0.00 0.00 0.00 173.10 173.23 1qbe h ALA 40 N 0.84 0.31 -3.00 3.20 0.00 -1.95 -3.41 119.26 115.26 1qbe h ALA 40 Ca -0.45 -0.35 -0.65 0.00 0.00 0.00 0.00 54.91 53.46 1qbe h ALA 40 Cb 1.26 -0.07 -0.24 0.00 0.00 0.00 0.00 17.79 18.75 1qbe h ALA 40 CO 0.51 0.24 -0.65 0.08 0.00 0.00 0.00 179.25 179.43 1qbe s VAL 41 N -4.37 4.04 0.26 0.00 1.01 -1.26 -5.00 120.40 115.08 1qbe s VAL 41 Ca -0.13 -0.27 -0.01 0.00 0.00 0.00 0.00 61.98 61.56 1qbe s VAL 41 Cb 0.07 -2.87 0.24 0.00 0.00 0.00 0.00 36.38 33.82 1qbe s VAL 41 CO 0.78 0.38 1.74 1.55 0.00 0.00 0.00 175.10 179.55 1qbe h PRO 42 N 8.05 0.50 0.00 2.72 0.13 -1.99 0.30 132.00 141.71 1qbe h PRO 42 Ca -0.39 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1qbe h PRO 42 Cb 1.17 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1qbe h PRO 42 CO 0.59 0.33 0.00 0.00 -0.23 0.00 0.00 178.00 178.69 1qbe h ALA 43 N 1.58 1.00 -0.54 -0.56 0.00 -1.97 -1.14 119.26 117.62 1qbe h ALA 43 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.37 1qbe h ALA 43 Cb 0.71 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1qbe h ALA 43 CO -0.41 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.12 1qbe n LEU 44 N -2.96 4.37 -4.76 0.00 4.77 0.09 -4.98 117.00 113.53 1qbe n LEU 44 Ca -0.02 -2.47 -0.40 0.00 -0.03 0.00 0.00 56.01 53.09 1qbe n LEU 44 Cb 0.10 -0.52 -0.06 0.00 -2.33 0.00 0.00 43.42 40.62 1qbe n LEU 44 CO 0.20 0.78 0.48 -1.61 -1.33 0.00 0.00 177.39 175.91 1qbe s GLU 45 N -1.88 4.55 0.17 3.23 2.02 -0.43 -4.84 118.70 121.51 1qbe s GLU 45 Ca 0.46 1.13 -0.30 0.00 0.02 0.00 0.00 54.97 56.28 1qbe s GLU 45 Cb 0.30 -3.30 -0.07 0.00 0.10 0.00 0.00 34.13 31.16 1qbe s GLU 45 CO 0.21 0.46 1.05 0.15 0.02 0.00 0.00 175.26 177.15 1qbe s LYS 46 N -0.74 4.64 0.20 1.61 1.02 -1.26 -4.69 119.74 120.52 1qbe s LYS 46 Ca 0.37 1.63 0.06 0.00 0.02 0.00 0.00 55.97 58.05 1qbe s LYS 46 Cb -0.22 -3.30 -0.05 0.00 -0.52 0.00 0.00 37.83 33.74 1qbe s LYS 46 CO 0.25 0.15 -0.09 1.03 -0.92 0.00 0.00 175.35 175.77 1qbe s ARG 47 N -0.38 1.29 -0.06 1.68 0.52 -0.28 -1.11 118.95 120.61 1qbe s ARG 47 Ca 0.48 -1.60 -0.05 0.00 -0.52 0.00 0.00 55.73 54.04 1qbe s ARG 47 Cb -0.28 -0.89 0.02 0.00 0.52 0.00 0.00 34.95 34.33 1qbe s ARG 47 CO 0.34 0.08 0.15 0.08 0.02 0.00 0.00 175.30 175.97 1qbe s VAL 48 N -3.17 -0.01 0.04 3.52 1.01 -0.55 -1.62 120.40 119.62 1qbe s VAL 48 Ca 0.23 0.04 0.05 0.00 0.00 0.00 0.00 61.98 62.30 1qbe s VAL 48 Cb 0.02 -0.23 -0.02 0.00 0.00 0.00 0.00 36.38 36.15 1qbe s VAL 48 CO 0.06 0.01 -0.15 0.42 0.00 0.00 0.00 175.10 175.44 1qbe s THR 49 N 0.31 1.23 0.01 3.92 -4.23 0.46 -0.33 115.64 117.00 1qbe s THR 49 Ca -0.02 -1.06 0.03 0.00 -1.18 0.00 0.00 61.69 59.46 1qbe s THR 49 Cb -0.03 -1.10 -0.01 0.00 1.34 0.00 0.00 72.50 72.69 1qbe s THR 49 CO -0.01 0.03 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.30 1qbe s VAL 50 N -0.87 0.81 -0.17 2.29 1.01 0.03 -1.67 120.40 121.82 1qbe s VAL 50 Ca 0.03 -0.57 -0.08 0.00 0.00 0.00 0.00 61.98 61.36 1qbe s VAL 50 Cb -0.08 -0.70 0.07 0.00 0.00 0.00 0.00 36.38 35.66 1qbe s VAL 50 CO 0.01 0.13 0.39 -0.94 0.00 0.00 0.00 175.10 174.69 1qbe s SER 51 N -0.50 -0.33 -0.36 3.32 1.04 -0.67 -0.12 113.70 116.08 1qbe s SER 51 Ca 0.02 0.87 0.00 0.00 0.48 0.00 0.00 55.95 57.33 1qbe s SER 51 Cb -0.05 0.93 0.10 0.00 0.10 0.00 0.00 66.02 67.10 1qbe s SER 51 CO -0.00 -0.21 0.11 -0.69 0.98 0.00 0.00 173.24 173.43 1qbe s VAL 52 N 1.90 2.79 0.17 5.02 1.01 -1.26 -0.62 120.40 129.41 1qbe s VAL 52 Ca -0.06 -2.10 -0.32 0.00 0.00 0.00 0.00 61.98 59.50 1qbe s VAL 52 Cb -0.10 -2.93 -0.12 0.00 0.00 0.00 0.00 36.38 33.23 1qbe s VAL 52 CO -0.12 -0.57 1.75 -0.24 0.00 0.00 0.00 175.10 175.92 1qbe n SER 53 N 4.45 3.90 0.00 3.32 2.88 0.68 -4.92 113.62 123.93 1qbe n SER 53 Ca -0.01 1.04 0.12 0.00 -1.33 0.00 0.00 58.87 58.69 1qbe n SER 53 Cb 0.42 -1.54 0.61 0.00 -0.75 0.00 0.00 64.21 62.95 1qbe n SER 53 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1qbe n GLN 54 N 4.53 0.31 0.00 -1.46 1.13 -1.26 -3.85 117.38 116.78 1qbe n GLN 54 Ca 0.17 0.06 0.00 0.00 -1.94 0.00 0.00 57.00 55.28 1qbe n GLN 54 Cb 0.35 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.20 1qbe n GLN 54 CO 0.00 0.00 0.00 -2.30 -1.44 0.00 0.00 177.06 173.32 1qbe n PRO 55 N -1.31 0.00 0.00 -1.09 -0.02 -1.26 -5.03 135.00 126.29 1qbe n PRO 55 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 1qbe n PRO 55 Cb 0.21 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.69 1qbe n PRO 55 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1qbe n ASN 61 N 0.00 0.00 -4.85 2.55 3.02 -1.26 -4.98 115.26 109.74 1qbe n ASN 61 Ca 0.00 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.20 1qbe n ASN 61 Cb 0.00 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.11 1qbe n ASN 61 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1qbe s TYR 62 N 0.00 3.57 -0.16 3.10 2.02 0.33 -4.93 117.35 121.28 1qbe s TYR 62 Ca 0.00 1.06 -0.02 0.00 -0.37 0.00 0.00 57.07 57.74 1qbe s TYR 62 Cb 0.00 -2.38 0.05 0.00 -0.40 0.00 0.00 41.96 39.23 1qbe s TYR 62 CO 0.00 0.38 0.02 0.21 -1.57 0.00 0.00 175.55 174.60 1qbe s LYS 63 N -2.13 0.67 -0.22 -0.62 2.20 -1.25 -1.87 119.74 116.52 1qbe s LYS 63 Ca 0.40 -0.30 -0.09 0.00 -0.36 0.00 0.00 55.97 55.62 1qbe s LYS 63 Cb -0.14 -1.85 -0.05 0.00 -1.51 0.00 0.00 37.83 34.28 1qbe s LYS 63 CO 0.19 -0.56 0.12 0.08 -0.36 0.00 0.00 175.35 174.83 1qbe s VAL 64 N 1.88 5.10 -0.06 4.02 1.01 -0.46 -0.23 120.40 131.66 1qbe s VAL 64 Ca 0.01 0.09 0.03 0.00 0.00 0.00 0.00 61.98 62.10 1qbe s VAL 64 Cb -0.16 -3.36 0.01 0.00 0.00 0.00 0.00 36.38 32.87 1qbe s VAL 64 CO -0.07 0.38 -0.13 -1.58 0.00 0.00 0.00 175.10 173.70 1qbe s GLN 65 N 0.90 1.61 -0.05 2.72 0.74 0.21 0.71 119.66 126.50 1qbe s GLN 65 Ca 0.06 -0.43 0.05 0.00 0.05 0.00 0.00 55.36 55.09 1qbe s GLN 65 Cb -0.13 -1.36 -0.01 0.00 1.10 0.00 0.00 33.01 32.61 1qbe s GLN 65 CO 0.03 0.08 -0.19 0.08 -0.55 0.00 0.00 175.29 174.73 1qbe s VAL 66 N 0.48 1.61 0.07 1.34 1.01 0.35 -1.67 120.40 123.59 1qbe s VAL 66 Ca -0.11 -0.82 0.05 0.00 0.00 0.00 0.00 61.98 61.11 1qbe s VAL 66 Cb -0.14 -1.37 -0.03 0.00 0.00 0.00 0.00 36.38 34.84 1qbe s VAL 66 CO 0.03 0.46 -0.14 -0.54 0.00 0.00 0.00 175.10 174.90 1qbe s LYS 67 N -0.03 0.83 -0.10 2.72 1.02 -0.67 -0.59 119.74 122.92 1qbe s LYS 67 Ca -0.04 -0.97 -0.06 0.00 0.02 0.00 0.00 55.97 54.93 1qbe s LYS 67 Cb -0.12 -0.84 0.04 0.00 -0.52 0.00 0.00 37.83 36.39 1qbe s LYS 67 CO 0.03 0.19 0.25 -1.50 -0.92 0.00 0.00 175.35 173.39 1qbe s ILE 68 N -1.30 -0.04 -0.09 2.17 2.07 -0.78 -0.40 121.20 122.83 1qbe s ILE 68 Ca -0.01 0.14 0.04 0.00 -1.41 0.00 0.00 60.65 59.40 1qbe s ILE 68 Cb -0.10 -0.38 0.00 0.00 0.13 0.00 0.00 42.46 42.11 1qbe s ILE 68 CO 0.02 0.06 -0.21 -1.10 -1.91 0.00 0.00 174.94 171.80 1qbe s GLN 69 N 1.18 2.71 -0.29 3.50 -0.21 -0.64 -2.27 119.66 123.64 1qbe s GLN 69 Ca -0.09 -0.77 0.00 0.00 0.02 0.00 0.00 55.36 54.53 1qbe s GLN 69 Cb -0.10 -2.08 0.09 0.00 1.00 0.00 0.00 33.01 31.92 1qbe s GLN 69 CO -0.08 0.15 0.06 -0.80 -2.12 0.00 0.00 175.29 172.50 1qbe s ASN 70 N 0.40 4.00 0.53 5.90 0.01 -0.39 -1.13 114.94 124.26 1qbe s ASN 70 Ca -0.17 -1.55 -0.17 0.00 -0.71 0.00 0.00 52.86 50.25 1qbe s ASN 70 Cb -0.17 -1.02 -0.07 0.00 0.41 0.00 0.00 41.25 40.40 1qbe s ASN 70 CO 0.08 -0.36 1.02 -2.16 -1.51 0.00 0.00 177.10 174.16 1qbe s PRO 71 N 1.48 3.72 -0.11 -0.60 0.04 -1.26 -0.38 135.00 137.89 1qbe s PRO 71 Ca 0.06 1.13 0.01 0.00 0.04 0.00 0.00 61.00 62.24 1qbe s PRO 71 Cb -0.18 -2.10 0.02 0.00 0.04 0.00 0.00 34.50 32.29 1qbe s PRO 71 CO -0.17 -0.47 -0.12 0.99 0.04 0.00 0.00 177.00 177.27 1qbe s THR 72 N -2.41 1.27 -0.04 1.26 2.01 0.11 -4.95 115.64 112.89 1qbe s THR 72 Ca 0.62 -0.48 -0.03 0.00 0.31 0.00 0.00 61.69 62.12 1qbe s THR 72 Cb -0.13 -1.21 -0.04 0.00 0.01 0.00 0.00 72.50 71.13 1qbe s THR 72 CO 0.30 0.40 0.13 0.00 -0.69 0.00 0.00 174.62 174.76 1qbe s ALA 73 N 1.30 3.78 0.23 7.40 0.00 -1.26 -0.71 121.76 132.50 1qbe s ALA 73 Ca -0.01 -0.77 0.12 0.00 0.00 0.00 0.00 51.96 51.29 1qbe s ALA 73 Cb -0.14 -1.78 -0.05 0.00 0.00 0.00 0.00 23.12 21.15 1qbe s ALA 73 CO -0.05 0.69 -0.22 0.00 0.00 0.00 0.00 175.76 176.19 1qbe s THR 75 N -2.02 4.62 0.00 0.00 2.01 -1.26 -2.57 115.64 116.42 1qbe s THR 75 Ca 0.25 -0.71 0.00 0.00 0.31 0.00 0.00 61.69 61.54 1qbe s THR 75 Cb -0.07 -3.66 0.00 0.00 0.01 0.00 0.00 72.50 68.78 1qbe s THR 75 CO 0.12 -0.36 0.00 0.00 -0.69 0.00 0.00 174.62 173.69 1qbe s ASP 81 N -3.83 3.18 1.03 0.00 1.01 -1.26 -5.13 116.67 111.67 1qbe s ASP 81 Ca 0.00 -0.44 -0.12 0.00 0.71 0.00 0.00 52.55 52.71 1qbe s ASP 81 Cb 0.00 -0.44 0.21 0.00 1.01 0.00 0.00 42.92 43.70 1qbe s ASP 81 CO 0.00 0.32 1.08 -2.84 0.21 0.00 0.00 175.17 173.94 1qbe s PRO 82 N -0.59 0.15 -0.01 8.23 0.02 -1.26 -5.05 135.00 136.48 1qbe s PRO 82 Ca 0.09 1.07 -0.08 0.00 0.02 0.00 0.00 61.00 62.11 1qbe s PRO 82 Cb -0.10 -1.66 0.00 0.00 0.02 0.00 0.00 34.50 32.76 1qbe s PRO 82 CO -0.00 -3.07 0.15 -1.54 -0.33 0.00 0.00 177.00 172.20 1qbe s SER 83 N -2.75 -0.01 -0.37 2.53 1.04 -1.06 -5.02 113.70 108.05 1qbe s SER 83 Ca 0.67 -0.13 -0.25 0.00 0.48 0.00 0.00 55.95 56.71 1qbe s SER 83 Cb -0.23 0.23 0.01 0.00 0.10 0.00 0.00 66.02 66.14 1qbe s SER 83 CO 0.61 -0.34 0.91 -0.69 0.98 0.00 0.00 173.24 174.70 1qbe s VAL 84 N -1.23 4.60 0.06 5.02 1.01 -1.26 -1.70 120.40 126.91 1qbe s VAL 84 Ca -0.13 1.13 -0.09 0.00 0.00 0.00 0.00 61.98 62.89 1qbe s VAL 84 Cb -0.07 -4.32 -0.30 0.00 0.00 0.00 0.00 36.38 31.69 1qbe s VAL 84 CO 0.02 -0.54 1.10 0.71 0.00 0.00 0.00 175.10 176.39 1qbe h THR 85 N 5.83 1.41 -2.52 3.92 1.35 -1.27 -3.49 112.91 118.14 1qbe h THR 85 Ca -0.23 -2.86 0.08 0.00 -0.55 0.00 0.00 66.41 62.84 1qbe h THR 85 Cb 1.08 2.93 -0.13 0.00 -1.73 0.00 0.00 68.15 70.30 1qbe h THR 85 CO 0.98 0.85 0.40 0.00 -0.25 0.00 0.00 175.52 177.49 1qbe s ARG 86 N -2.70 1.05 0.06 4.72 1.70 -1.21 -5.03 118.95 117.54 1qbe s ARG 86 Ca -0.06 -0.44 0.03 0.00 -0.47 0.00 0.00 55.73 54.79 1qbe s ARG 86 Cb 0.06 0.45 -0.03 0.00 -0.57 0.00 0.00 34.95 34.86 1qbe s ARG 86 CO 0.91 -0.47 -0.08 -0.65 -1.08 0.00 0.00 175.30 173.93 1qbe s GLN 87 N -3.36 0.66 -0.12 3.89 -0.21 -1.26 0.07 119.66 119.34 1qbe s GLN 87 Ca 0.05 -0.95 -0.03 0.00 0.02 0.00 0.00 55.36 54.45 1qbe s GLN 87 Cb -0.01 -0.36 -0.03 0.00 1.00 0.00 0.00 33.01 33.60 1qbe s GLN 87 CO -0.08 0.05 0.01 0.00 -2.12 0.00 0.00 175.29 173.16 1qbe s ALA 88 N -1.99 3.30 0.15 6.09 0.00 0.49 -4.92 121.76 124.88 1qbe s ALA 88 Ca -0.03 -0.79 0.09 0.00 0.00 0.00 0.00 51.96 51.24 1qbe s ALA 88 Cb -0.06 -1.60 -0.04 0.00 0.00 0.00 0.00 23.12 21.42 1qbe s ALA 88 CO -0.01 0.46 -0.20 0.71 0.00 0.00 0.00 175.76 176.72 1qbe s TYR 89 N -0.47 1.88 -0.10 0.00 1.51 -1.26 -1.26 117.35 117.65 1qbe s TYR 89 Ca 0.09 -0.44 -0.04 0.00 -1.01 0.00 0.00 57.07 55.67 1qbe s TYR 89 Cb -0.12 -0.96 0.05 0.00 -0.11 0.00 0.00 41.96 40.82 1qbe s TYR 89 CO 0.02 0.32 0.20 0.00 -1.11 0.00 0.00 175.55 174.98 1qbe s ALA 90 N -1.76 -0.33 -0.14 3.71 0.00 -0.96 -5.01 121.76 117.26 1qbe s ALA 90 Ca 0.14 0.73 0.02 0.00 0.00 0.00 0.00 51.96 52.85 1qbe s ALA 90 Cb -0.07 -0.80 0.01 0.00 0.00 0.00 0.00 23.12 22.26 1qbe s ALA 90 CO 0.06 -0.49 -0.19 0.34 0.00 0.00 0.00 175.76 175.49 1qbe s ASP 91 N 2.06 2.86 0.01 0.00 -1.08 -1.26 -1.86 116.67 117.39 1qbe s ASP 91 Ca -0.01 -0.54 0.05 0.00 -0.52 0.00 0.00 52.55 51.53 1qbe s ASP 91 Cb -0.12 -1.31 -0.02 0.00 -1.46 0.00 0.00 42.92 40.02 1qbe s ASP 91 CO -0.07 0.03 -0.16 -0.69 0.52 0.00 0.00 175.17 174.80 1qbe s VAL 92 N 1.03 1.29 -0.01 1.11 1.01 0.24 -5.02 120.40 120.06 1qbe s VAL 92 Ca -0.03 -0.86 -0.03 0.00 0.00 0.00 0.00 61.98 61.06 1qbe s VAL 92 Cb -0.15 -1.11 0.00 0.00 0.00 0.00 0.00 36.38 35.13 1qbe s VAL 92 CO -0.05 0.23 0.06 0.42 0.00 0.00 0.00 175.10 175.77 1qbe s THR 93 N -0.58 0.04 -0.00 3.92 -4.23 -1.26 -0.50 115.64 113.03 1qbe s THR 93 Ca 0.05 -0.29 0.06 0.00 -1.18 0.00 0.00 61.69 60.33 1qbe s THR 93 Cb -0.07 -0.19 -0.02 0.00 1.34 0.00 0.00 72.50 73.56 1qbe s THR 93 CO 0.00 -0.16 -0.19 -0.36 -0.54 0.00 0.00 174.62 173.37 1qbe s PHE 94 N -0.49 1.71 -0.06 3.99 0.08 0.22 -4.96 117.98 118.47 1qbe s PHE 94 Ca -0.06 -0.33 0.03 0.00 0.12 0.00 0.00 56.93 56.70 1qbe s PHE 94 Cb -0.04 -1.08 0.00 0.00 -0.57 0.00 0.00 43.02 41.34 1qbe s PHE 94 CO 0.00 -0.01 -0.16 0.45 -0.10 0.00 0.00 175.22 175.41 1qbe s SER 95 N -0.59 2.09 -0.05 1.36 0.15 -1.26 -1.36 113.70 114.03 1qbe s SER 95 Ca 0.07 -0.35 -0.04 0.00 0.70 0.00 0.00 55.95 56.33 1qbe s SER 95 Cb -0.08 -0.81 0.02 0.00 -1.71 0.00 0.00 66.02 63.44 1qbe s SER 95 CO -0.00 0.10 0.14 -0.36 1.20 0.00 0.00 173.24 174.31 1qbe s PHE 96 N 0.37 -0.15 0.73 3.44 0.08 -0.78 -5.01 117.98 116.66 1qbe s PHE 96 Ca -0.11 0.39 -0.11 0.00 0.12 0.00 0.00 56.93 57.22 1qbe s PHE 96 Cb -0.14 0.02 0.03 0.00 -0.57 0.00 0.00 43.02 42.36 1qbe s PHE 96 CO 0.04 -0.09 1.08 0.95 -0.10 0.00 0.00 175.22 177.09 1qbe s THR 97 N 0.32 3.63 -1.53 0.64 -4.23 -1.26 -0.51 115.64 112.70 1qbe s THR 97 Ca -0.02 0.53 0.00 0.00 -1.18 0.00 0.00 61.69 61.02 1qbe s THR 97 Cb -0.03 -3.35 0.00 0.00 1.34 0.00 0.00 72.50 70.46 1qbe s THR 97 CO -0.01 -0.69 0.37 0.00 -0.54 0.00 0.00 174.62 173.75 1qbe n GLN 98 N -3.18 0.49 -0.03 3.99 -0.00 -1.26 -0.75 117.38 116.63 1qbe n GLN 98 Ca 0.07 0.00 0.01 0.00 -0.00 0.00 0.00 57.00 57.08 1qbe n GLN 98 Cb 0.55 -1.11 0.02 0.00 -0.00 0.00 0.00 30.24 29.70 1qbe n GLN 98 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1qbe n TYR 99 N -0.15 0.00 -1.30 2.61 4.01 -1.26 -5.05 117.16 116.03 1qbe n TYR 99 Ca 0.00 -0.46 -0.29 0.00 -0.16 0.00 0.00 57.90 56.99 1qbe n TYR 99 Cb 0.06 -0.05 0.17 0.00 -0.31 0.00 0.00 39.34 39.20 1qbe n TYR 99 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 1qbe s SER 100 N -1.08 2.83 0.25 7.72 1.04 0.07 -5.07 113.70 119.46 1qbe s SER 100 Ca 0.04 1.07 0.01 0.00 0.48 0.00 0.00 55.95 57.55 1qbe s SER 100 Cb 0.04 -1.69 -0.05 0.00 0.10 0.00 0.00 66.02 64.42 1qbe s SER 100 CO 0.00 -2.99 0.12 0.42 0.98 0.00 0.00 173.24 171.77 1qbe s THR 101 N -3.09 0.36 0.02 2.02 -4.23 -1.26 -5.03 115.64 104.44 1qbe s THR 101 Ca 0.65 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 59.09 1qbe s THR 101 Cb -0.17 -2.58 -0.03 0.00 1.34 0.00 0.00 72.50 71.06 1qbe s THR 101 CO 0.56 0.00 1.12 0.44 -0.54 0.00 0.00 174.62 176.20 1qbe h ASP 102 N 2.42 -0.37 -0.93 3.99 5.19 -1.99 -1.38 116.42 123.35 1qbe h ASP 102 Ca -0.37 0.04 0.17 0.00 -0.62 0.00 0.00 57.03 56.26 1qbe h ASP 102 Cb 1.25 0.14 -0.17 0.00 0.18 0.00 0.00 39.33 40.73 1qbe h ASP 102 CO 0.57 -0.11 -0.27 -0.62 -3.12 0.00 0.00 179.24 175.69 1qbe n GLU 103 N -3.18 -0.13 0.48 3.56 4.71 -1.26 -1.02 120.64 123.81 1qbe n GLU 103 Ca -0.01 1.44 -0.20 0.00 -0.01 0.00 0.00 57.16 58.37 1qbe n GLU 103 Cb 0.09 -2.14 -0.10 0.00 -1.01 0.00 0.00 31.44 28.28 1qbe n GLU 103 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 1qbe h GLU 104 N 0.00 -1.20 -0.01 3.49 5.08 -1.81 -0.67 114.58 119.47 1qbe h GLU 104 Ca 0.40 0.08 0.02 0.00 -1.00 0.00 0.00 59.36 58.86 1qbe h GLU 104 Cb 0.64 0.27 -0.02 0.00 0.50 0.00 0.00 28.75 30.14 1qbe h GLU 104 CO -0.94 -0.80 -0.09 0.00 -1.00 0.00 0.00 179.01 176.18 1qbe h ARG 105 N -1.24 -0.14 -0.46 2.33 -0.00 -0.28 -2.29 114.38 112.30 1qbe h ARG 105 Ca -0.12 0.01 0.09 0.00 -0.50 0.00 0.00 59.98 59.46 1qbe h ARG 105 Cb 0.96 0.03 -0.10 0.00 0.00 0.00 0.00 29.97 30.87 1qbe h ARG 105 CO 0.19 -0.09 -0.21 0.00 0.00 0.00 0.00 179.97 179.85 1qbe h ALA 106 N 0.84 0.12 -0.05 0.04 0.00 -1.07 -0.27 119.26 118.87 1qbe h ALA 106 Ca 0.04 0.16 0.02 0.00 0.00 0.00 0.00 54.91 55.13 1qbe h ALA 106 Cb 0.19 0.52 -0.06 0.00 0.00 0.00 0.00 17.79 18.45 1qbe h ALA 106 CO -0.09 -0.56 -0.54 0.35 0.00 0.00 0.00 179.25 178.40 1qbe h PHE 107 N -0.12 -1.60 -0.43 0.00 3.04 -0.70 0.11 116.94 117.25 1qbe h PHE 107 Ca 0.22 0.05 0.09 0.00 3.98 0.00 0.00 57.97 62.31 1qbe h PHE 107 Cb 0.45 0.71 -0.09 0.00 2.56 0.00 0.00 35.95 39.58 1qbe h PHE 107 CO -0.48 -0.57 -0.19 0.28 -2.02 0.00 0.00 178.31 175.33 1qbe h VAL 108 N -0.64 0.41 0.04 1.41 2.07 -0.80 0.37 116.25 119.12 1qbe h VAL 108 Ca 0.02 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.56 1qbe h VAL 108 Cb 0.71 0.41 -0.05 0.00 -1.52 0.00 0.00 31.29 30.84 1qbe h VAL 108 CO -0.39 0.00 -0.43 -0.09 0.02 0.00 0.00 177.57 176.68 1qbe h ARG 109 N -0.11 -0.59 -0.59 1.57 1.12 -0.06 -0.53 114.38 115.19 1qbe h ARG 109 Ca 0.21 0.04 0.01 0.00 -1.11 0.00 0.00 59.98 59.13 1qbe h ARG 109 Cb 0.43 0.13 -0.03 0.00 -0.01 0.00 0.00 29.97 30.49 1qbe h ARG 109 CO -0.50 -0.39 0.38 1.79 -3.11 0.00 0.00 179.97 178.14 1qbe h THR 110 N -0.61 1.12 -0.18 0.20 1.35 0.06 -2.26 112.91 112.59 1qbe h THR 110 Ca 0.03 -0.27 0.05 0.00 -0.55 0.00 0.00 66.41 65.68 1qbe h THR 110 Cb 0.67 0.28 -0.05 0.00 -1.73 0.00 0.00 68.15 67.32 1qbe h THR 110 CO -0.29 0.14 -0.17 -0.08 -0.25 0.00 0.00 175.52 174.87 1qbe h GLU 111 N 0.77 -0.18 -0.27 4.72 4.81 0.41 0.16 114.58 125.00 1qbe h GLU 111 Ca 0.22 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.53 1qbe h GLU 111 Cb -0.05 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.31 1qbe h GLU 111 CO -0.06 -0.12 -0.11 1.25 -0.73 0.00 0.00 179.01 179.23 1qbe h LEU 112 N -0.19 -0.38 -0.01 1.64 5.85 -0.78 0.27 115.31 121.72 1qbe h LEU 112 Ca 0.11 0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.97 1qbe h LEU 112 Cb 0.35 0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.55 1qbe h LEU 112 CO -0.29 -0.14 -0.33 0.00 -0.34 0.00 0.00 178.44 177.34 1qbe h ALA 113 N 1.18 -0.48 -0.61 1.25 0.00 -0.69 0.90 119.26 120.81 1qbe h ALA 113 Ca 0.14 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.13 1qbe h ALA 113 Cb 0.28 0.59 -0.08 0.00 0.00 0.00 0.00 17.79 18.58 1qbe h ALA 113 CO -0.32 -0.85 0.21 0.00 0.00 0.00 0.00 179.25 178.30 1qbe h ALA 114 N 0.23 0.78 -0.69 0.00 0.00 0.11 0.42 119.26 120.11 1qbe h ALA 114 Ca 0.06 0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.12 1qbe h ALA 114 Cb 0.57 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.38 1qbe h ALA 114 CO -0.28 -0.21 0.39 -0.07 0.00 0.00 0.00 179.25 179.08 1qbe h LEU 115 N 0.38 0.59 -1.76 0.00 3.38 0.51 0.95 115.31 119.37 1qbe h LEU 115 Ca 0.31 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.31 1qbe h LEU 115 Cb 0.40 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1qbe h LEU 115 CO -0.33 0.38 0.00 -0.07 0.09 0.00 0.00 178.44 178.52 1qbe h LEU 116 N 0.73 0.00 0.00 1.67 3.38 0.14 0.12 115.31 121.35 1qbe h LEU 116 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1qbe h LEU 116 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1qbe h LEU 116 CO -0.18 0.00 -1.71 0.00 0.09 0.00 0.00 178.44 176.64 1qbe n ALA 117 N -1.88 3.02 -1.84 1.53 0.00 0.20 -4.59 120.51 116.96 1qbe n ALA 117 Ca -0.01 -0.49 -0.42 0.00 0.00 0.00 0.00 53.44 52.52 1qbe n ALA 117 Cb 0.09 -0.81 -0.02 0.00 0.00 0.00 0.00 19.45 18.71 1qbe n ALA 117 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1qbe s SER 118 N -4.42 6.51 0.29 0.00 0.15 0.42 -4.82 113.70 111.84 1qbe s SER 118 Ca -0.05 2.76 0.05 0.00 0.70 0.00 0.00 55.95 59.41 1qbe s SER 118 Cb 0.14 -2.61 0.74 0.00 -1.71 0.00 0.00 66.02 62.57 1qbe s SER 118 CO 0.88 -0.84 1.72 1.55 1.20 0.00 0.00 173.24 177.76 1qbe h PRO 119 N 5.77 0.50 -0.68 5.44 0.13 -1.92 0.20 132.00 141.44 1qbe h PRO 119 Ca -0.45 -0.03 0.15 0.00 -0.87 0.00 0.00 66.00 64.80 1qbe h PRO 119 Cb 1.21 -0.11 -0.12 0.00 0.13 0.00 0.00 31.00 32.11 1qbe h PRO 119 CO 0.85 0.33 0.01 1.25 -0.23 0.00 0.00 178.00 180.21 1qbe h LEU 120 N 0.51 -0.28 0.08 1.56 7.12 -1.90 0.50 115.31 122.90 1qbe h LEU 120 Ca 0.57 0.17 -0.29 0.00 0.13 0.00 0.00 57.88 58.46 1qbe h LEU 120 Cb 1.03 0.29 0.02 0.00 -0.53 0.00 0.00 40.66 41.47 1qbe h LEU 120 CO -0.48 -0.13 -1.22 -0.07 -0.13 0.00 0.00 178.44 176.41 1qbe h LEU 121 N 0.12 0.72 -1.04 2.25 3.38 -0.86 -2.85 115.31 117.03 1qbe h LEU 121 Ca 0.36 -0.68 0.05 0.00 0.09 0.00 0.00 57.88 57.70 1qbe h LEU 121 Cb 0.61 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 41.07 1qbe h LEU 121 CO -0.58 1.50 0.64 0.16 0.09 0.00 0.00 178.44 180.25 1qbe h ILE 122 N 0.21 1.14 -0.58 1.22 3.07 -0.24 0.54 117.51 122.87 1qbe h ILE 122 Ca -0.17 -0.41 -0.10 0.00 1.55 0.00 0.00 64.86 65.73 1qbe h ILE 122 Cb 1.90 -0.17 -0.02 0.00 -0.27 0.00 0.00 36.82 38.26 1qbe h ILE 122 CO 0.22 0.22 -0.04 -0.78 -1.05 0.00 0.00 178.15 176.72 1qbe h ASP 123 N 1.21 1.04 -0.50 2.16 3.58 -0.98 0.29 116.42 123.22 1qbe h ASP 123 Ca 0.40 -0.32 -0.02 0.00 0.42 0.00 0.00 57.03 57.51 1qbe h ASP 123 Cb 0.06 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 40.81 1qbe h ASP 123 CO -0.14 1.12 0.25 0.00 -2.88 0.00 0.00 179.24 177.59 1qbe h ALA 124 N 0.96 0.64 0.00 -0.78 0.00 -0.85 -2.26 119.26 116.98 1qbe h ALA 124 Ca 0.16 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1qbe h ALA 124 Cb 0.61 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1qbe h ALA 124 CO 0.04 0.19 -0.01 0.82 0.00 0.00 0.00 179.25 180.29 1qbe h ILE 125 N 0.66 0.00 -0.98 0.00 2.04 -0.75 -2.34 117.51 116.14 1qbe h ILE 125 Ca 0.17 -0.03 0.26 0.00 1.00 0.00 0.00 64.86 66.26 1qbe h ILE 125 Cb 0.10 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.05 1qbe h ILE 125 CO -0.02 0.00 0.54 0.44 0.00 0.00 0.00 178.15 179.11 1qbe h ASP 126 N -0.03 0.56 -0.35 1.72 5.19 -0.59 -0.82 116.42 122.10 1qbe h ASP 126 Ca 0.00 0.15 0.00 0.00 -0.62 0.00 0.00 57.03 56.56 1qbe h ASP 126 Cb 0.01 0.08 0.00 0.00 0.18 0.00 0.00 39.33 39.60 1qbe h ASP 126 CO 0.00 0.03 0.00 0.00 -3.12 0.00 0.00 179.24 176.15 1qbe n GLN 127 N -4.96 2.34 -4.04 3.56 1.13 -0.92 -4.97 117.38 109.53 1qbe n GLN 127 Ca 0.27 -2.03 -0.32 0.00 -1.94 0.00 0.00 57.00 52.98 1qbe n GLN 127 Cb 0.77 -1.36 -0.03 0.00 0.11 0.00 0.00 30.24 29.74 1qbe n GLN 127 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1qbe n LEU 128 N 0.93 -1.63 -4.09 1.08 4.32 -0.31 -4.92 117.00 112.38 1qbe n LEU 128 Ca 0.14 -1.14 -0.33 0.00 -0.02 0.00 0.00 56.01 54.67 1qbe n LEU 128 Cb 0.47 -1.97 -0.14 0.00 -1.62 0.00 0.00 43.42 40.15 1qbe n LEU 128 CO 0.11 0.52 -0.39 0.21 -1.22 0.00 0.00 177.39 176.61 1qbe s ASN 129 N -4.10 4.68 0.89 -1.43 3.84 -0.90 -5.00 114.94 112.92 1qbe s ASN 129 Ca 0.16 -1.55 -0.11 0.00 0.21 0.00 0.00 52.86 51.57 1qbe s ASN 129 Cb -0.07 -1.63 0.13 0.00 -0.55 0.00 0.00 41.25 39.13 1qbe s ASN 129 CO 0.93 -0.27 1.15 -2.16 -2.79 0.00 0.00 177.10 173.96 1qbe s PRO 130 N 1.10 1.20 0.02 0.43 0.04 -1.26 -3.43 135.00 133.10 1qbe s PRO 130 Ca -0.03 1.55 -0.04 0.00 0.04 0.00 0.00 61.00 62.52 1qbe s PRO 130 Cb -0.20 -1.75 -0.04 0.00 0.04 0.00 0.00 34.50 32.55 1qbe s PRO 130 CO -0.04 -2.50 0.23 0.00 0.04 0.00 0.00 177.00 174.73 1qbe s ALA 131 N -2.60 3.91 0.00 8.56 0.00 -1.26 -4.95 121.76 125.42 1qbe s ALA 131 Ca 0.67 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.94 1qbe s ALA 131 Cb -0.23 -1.96 0.00 0.00 0.00 0.00 0.00 23.12 20.93 1qbe s ALA 131 CO 0.57 0.72 0.00 2.48 0.00 0.00 0.00 175.76 179.52