#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uer s THR 2 N 0.00 4.92 0.08 3.17 2.01 -1.26 -4.92 115.64 119.64 1uer s THR 2 Ca 0.00 0.69 -0.30 0.00 0.31 0.00 0.00 61.69 62.39 1uer s THR 2 Cb 0.00 -4.03 -0.05 0.00 0.01 0.00 0.00 72.50 68.42 1uer s THR 2 CO 0.00 -0.23 1.06 -1.00 -0.69 0.00 0.00 174.62 173.76 1uer s HIS 3 N 2.65 3.62 0.21 4.92 4.02 -1.26 -5.02 115.29 124.42 1uer s HIS 3 Ca 0.24 1.60 0.05 0.00 1.02 0.00 0.00 55.06 57.97 1uer s HIS 3 Cb -0.15 -3.22 -0.03 0.00 -1.02 0.00 0.00 32.58 28.16 1uer s HIS 3 CO 0.13 -0.43 0.28 -1.21 1.02 0.00 0.00 174.74 174.53 1uer s GLU 4 N 0.45 3.27 -0.24 1.40 0.41 -1.26 -4.92 118.70 117.81 1uer s GLU 4 Ca 0.52 -0.79 -0.29 0.00 -0.41 0.00 0.00 54.97 54.00 1uer s GLU 4 Cb -0.26 -2.82 0.01 0.00 -1.78 0.00 0.00 34.13 29.29 1uer s GLU 4 CO 0.30 0.45 1.02 -1.17 -0.49 0.00 0.00 175.26 175.38 1uer s LEU 5 N -3.65 4.08 0.33 1.80 2.96 -1.26 -4.95 118.68 117.99 1uer s LEU 5 Ca 0.34 1.31 -0.29 0.00 -0.22 0.00 0.00 54.13 55.26 1uer s LEU 5 Cb -0.09 -3.51 -0.11 0.00 0.50 0.00 0.00 46.19 42.98 1uer s LEU 5 CO 0.27 -0.68 1.54 0.27 -1.32 0.00 0.00 176.35 176.44 1uer s ILE 6 N 3.21 2.07 0.11 6.68 -4.36 -1.26 -4.93 121.20 122.72 1uer s ILE 6 Ca 0.43 0.07 -0.30 0.00 -0.26 0.00 0.00 60.65 60.59 1uer s ILE 6 Cb -0.15 -3.04 -0.06 0.00 1.25 0.00 0.00 42.46 40.46 1uer s ILE 6 CO 0.07 0.01 1.07 -0.44 0.24 0.00 0.00 174.94 175.90 1uer s SER 7 N 0.18 7.29 0.16 4.36 0.01 -1.26 -4.99 113.70 119.45 1uer s SER 7 Ca 0.58 1.94 -0.30 0.00 1.31 0.00 0.00 55.95 59.48 1uer s SER 7 Cb -0.47 -2.59 -0.07 0.00 0.21 0.00 0.00 66.02 63.10 1uer s SER 7 CO 0.55 -0.25 1.10 -0.76 0.41 0.00 0.00 173.24 174.29 1uer s LEU 8 N 0.28 4.47 -0.01 2.44 1.43 -1.26 -4.93 118.68 121.10 1uer s LEU 8 Ca 0.52 2.07 0.01 0.00 -1.03 0.00 0.00 54.13 55.69 1uer s LEU 8 Cb -0.27 -3.60 0.05 0.00 0.03 0.00 0.00 46.19 42.40 1uer s LEU 8 CO 0.31 -0.24 0.77 -0.81 0.23 0.00 0.00 176.35 176.61 1uer n PRO 9 N 2.56 1.21 -3.97 1.29 -0.04 -1.26 -4.86 135.00 129.93 1uer n PRO 9 Ca 0.03 -0.20 -0.10 0.00 -0.04 0.00 0.00 63.50 63.19 1uer n PRO 9 Cb 0.46 -1.34 -0.03 0.00 -0.04 0.00 0.00 33.50 32.54 1uer n PRO 9 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1uer s TYR 10 N -1.45 0.37 0.57 0.54 -0.85 -1.26 -5.16 117.35 110.12 1uer s TYR 10 Ca 0.04 -0.77 -0.19 0.00 -0.52 0.00 0.00 57.07 55.63 1uer s TYR 10 Cb 0.02 0.31 -0.04 0.00 0.38 0.00 0.00 41.96 42.63 1uer s TYR 10 CO 0.02 -1.14 1.17 0.00 -1.52 0.00 0.00 175.55 174.08 1uer s ALA 11 N -3.59 2.61 0.57 9.51 0.00 -1.26 -4.92 121.76 124.68 1uer s ALA 11 Ca 0.21 0.92 0.37 0.00 0.00 0.00 0.00 51.96 53.46 1uer s ALA 11 Cb -0.02 -3.41 2.03 0.00 0.00 0.00 0.00 23.12 21.73 1uer s ALA 11 CO 0.11 -0.99 2.27 -0.39 0.00 0.00 0.00 175.76 176.76 1uer h VAL 12 N 1.00 0.25 -0.29 0.00 -1.51 -1.98 -1.22 116.25 112.51 1uer h VAL 12 Ca -0.50 -0.11 0.00 0.00 -1.23 0.00 0.00 66.70 64.86 1uer h VAL 12 Cb 1.28 1.08 0.00 0.00 -2.13 0.00 0.00 31.29 31.52 1uer h VAL 12 CO 0.56 0.02 0.00 -0.90 -1.23 0.00 0.00 177.57 176.01 1uer n ASP 13 N -3.41 3.30 0.29 4.19 5.75 -1.26 -4.24 116.55 121.17 1uer n ASP 13 Ca -0.03 -1.98 0.14 0.00 -0.01 0.00 0.00 54.79 52.91 1uer n ASP 13 Cb 0.11 -0.18 0.86 0.00 -1.03 0.00 0.00 41.12 40.88 1uer n ASP 13 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1uer h ALA 14 N 4.42 1.57 -0.12 2.12 0.00 -1.56 -2.66 119.26 123.03 1uer h ALA 14 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1uer h ALA 14 Cb 0.97 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1uer h ALA 14 CO 0.00 0.02 0.00 1.28 0.00 0.00 0.00 179.25 180.55 1uer n LEU 15 N -3.93 2.85 -4.77 0.00 4.77 -1.26 -4.45 117.00 110.21 1uer n LEU 15 Ca -0.03 -1.03 -0.39 0.00 -0.03 0.00 0.00 56.01 54.53 1uer n LEU 15 Cb 0.10 -0.06 -0.01 0.00 -2.33 0.00 0.00 43.42 41.12 1uer n LEU 15 CO 0.29 0.52 0.91 0.00 -1.33 0.00 0.00 177.39 177.77 1uer s ALA 16 N -1.88 3.16 -2.26 -1.18 0.00 -1.01 -1.44 121.76 117.17 1uer s ALA 16 Ca 0.32 1.12 0.28 0.00 0.00 0.00 0.00 51.96 53.68 1uer s ALA 16 Cb 0.21 -3.45 1.10 0.00 0.00 0.00 0.00 23.12 20.98 1uer s ALA 16 CO 0.31 -0.75 1.77 -0.35 0.00 0.00 0.00 175.76 176.74 1uer n PRO 17 N -0.03 1.38 -0.20 0.00 -0.04 -1.26 -4.89 135.00 129.95 1uer n PRO 17 Ca 0.05 -0.73 -0.09 0.00 -0.04 0.00 0.00 63.50 62.69 1uer n PRO 17 Cb 0.45 -1.48 0.02 0.00 -0.04 0.00 0.00 33.50 32.44 1uer n PRO 17 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1uer h VAL 18 N 1.78 1.25 -3.10 0.52 2.07 -1.64 -3.34 116.25 113.79 1uer h VAL 18 Ca 0.00 -0.97 -0.58 0.00 0.82 0.00 0.00 66.70 65.97 1uer h VAL 18 Cb 0.44 0.80 -0.40 0.00 -1.52 0.00 0.00 31.29 30.61 1uer h VAL 18 CO 0.00 0.35 -0.76 -0.63 0.02 0.00 0.00 177.57 176.55 1uer s ILE 19 N -5.20 0.83 1.01 4.57 1.01 -0.78 -5.01 121.20 117.64 1uer s ILE 19 Ca -0.12 -1.46 -0.12 0.00 0.00 0.00 0.00 60.65 58.95 1uer s ILE 19 Cb 0.12 -1.63 0.20 0.00 0.01 0.00 0.00 42.46 41.16 1uer s ILE 19 CO 0.82 -0.71 1.08 -0.94 0.00 0.00 0.00 174.94 175.19 1uer s SER 20 N 1.53 2.37 0.16 3.58 1.04 -1.26 -2.49 113.70 118.63 1uer s SER 20 Ca 0.11 1.52 -0.16 0.00 0.48 0.00 0.00 55.95 57.89 1uer s SER 20 Cb -0.18 -2.20 0.07 0.00 0.10 0.00 0.00 66.02 63.81 1uer s SER 20 CO -0.23 -3.34 1.74 0.50 0.98 0.00 0.00 173.24 172.89 1uer h LYS 21 N -2.03 0.22 -0.82 4.02 3.64 -1.87 -0.42 116.57 119.32 1uer h LYS 21 Ca -0.54 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 58.82 1uer h LYS 21 Cb 1.31 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 33.04 1uer h LYS 21 CO 0.52 0.15 0.47 1.49 -2.27 0.00 0.00 179.45 179.81 1uer h GLU 22 N 0.23 1.12 -0.58 1.90 4.81 -1.92 -1.24 114.58 118.90 1uer h GLU 22 Ca 0.16 -0.11 -0.09 0.00 -0.13 0.00 0.00 59.36 59.19 1uer h GLU 22 Cb 0.17 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 1uer h GLU 22 CO -0.19 0.80 -0.01 1.15 -0.73 0.00 0.00 179.01 180.03 1uer h THR 23 N 1.13 1.26 -0.65 0.32 2.02 -1.67 -1.97 112.91 113.35 1uer h THR 23 Ca 0.29 -1.14 -0.07 0.00 0.77 0.00 0.00 66.41 66.26 1uer h THR 23 Cb -0.01 0.82 -0.03 0.00 -1.74 0.00 0.00 68.15 67.19 1uer h THR 23 CO -0.05 0.41 0.13 0.58 0.37 0.00 0.00 175.52 176.96 1uer h VAL 24 N 0.93 1.26 -0.59 3.16 2.07 -0.70 0.27 116.25 122.65 1uer h VAL 24 Ca 0.17 -0.97 0.02 0.00 0.82 0.00 0.00 66.70 66.73 1uer h VAL 24 Cb 0.55 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 1uer h VAL 24 CO 0.03 0.37 0.37 -0.33 0.02 0.00 0.00 177.57 178.03 1uer h GLU 25 N 0.99 0.72 0.06 1.57 5.08 -0.71 -0.37 114.58 121.91 1uer h GLU 25 Ca 0.20 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.43 1uer h GLU 25 Cb 0.39 -0.16 0.01 0.00 0.50 0.00 0.00 28.75 29.48 1uer h GLU 25 CO 0.01 0.47 -0.42 0.74 -1.00 0.00 0.00 179.01 178.81 1uer h PHE 26 N 0.74 0.23 -0.06 4.33 0.04 -1.21 -2.34 116.94 118.67 1uer h PHE 26 Ca 0.23 -0.17 -0.00 0.00 2.80 0.00 0.00 57.97 60.83 1uer h PHE 26 Cb -0.01 -0.01 -0.00 0.00 2.20 0.00 0.00 35.95 38.13 1uer h PHE 26 CO -0.05 1.16 0.02 1.25 -0.60 0.00 0.00 178.31 180.09 1uer h HIS 27 N -0.73 0.09 0.00 -0.55 2.76 -0.41 0.06 115.15 116.38 1uer h HIS 27 Ca -0.08 -0.01 -0.12 0.00 -2.20 0.00 0.00 60.37 57.96 1uer h HIS 27 Cb 1.29 -0.03 -0.02 0.00 1.55 0.00 0.00 27.41 30.20 1uer h HIS 27 CO 0.24 0.25 -0.73 1.25 -1.30 0.00 0.00 177.93 177.64 1uer h HIS 28 N -0.09 0.00 0.00 5.26 -0.00 -1.25 -1.81 115.15 117.26 1uer h HIS 28 Ca 0.02 0.00 -0.04 0.00 -0.00 0.00 0.00 60.37 60.35 1uer h HIS 28 Cb 0.20 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.61 1uer h HIS 28 CO -0.01 1.06 -0.17 0.78 -0.00 0.00 0.00 177.93 179.59 1uer h GLY 29 N -1.00 0.00 0.00 5.26 0.00 -1.01 -3.07 103.07 103.25 1uer h GLY 29 Ca -0.18 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.14 1uer h GLY 29 CO -0.11 0.00 -0.33 0.28 0.00 0.00 0.00 176.54 176.38 1uer n LYS 30 N -4.30 0.16 0.11 4.80 4.76 -0.26 -4.46 118.16 118.97 1uer n LYS 30 Ca -0.02 0.06 -0.13 0.00 -2.87 0.00 0.00 58.31 55.35 1uer n LYS 30 Cb 0.24 -0.77 -0.06 0.00 -1.84 0.00 0.00 35.03 32.60 1uer n LYS 30 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1uer h HIS 31 N -0.29 -0.55 -0.59 2.13 3.86 -1.07 -0.85 115.15 117.79 1uer h HIS 31 Ca -0.01 0.01 -0.08 0.00 -1.16 0.00 0.00 60.37 59.13 1uer h HIS 31 Cb 0.32 0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.99 1uer h HIS 31 CO -0.12 -0.30 0.06 1.25 0.86 0.00 0.00 177.93 179.68 1uer h LEU 32 N -0.40 0.97 -0.71 2.43 5.85 -1.34 -1.93 115.31 120.18 1uer h LEU 32 Ca 0.02 -0.28 0.09 0.00 0.84 0.00 0.00 57.88 58.56 1uer h LEU 32 Cb 0.41 -0.26 -0.07 0.00 0.37 0.00 0.00 40.66 41.11 1uer h LEU 32 CO -0.11 1.00 0.35 0.50 -0.34 0.00 0.00 178.44 179.85 1uer h LYS 33 N 0.90 0.58 -0.51 1.25 3.64 -1.42 -1.14 116.57 119.87 1uer h LYS 33 Ca 0.17 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.49 1uer h LYS 33 Cb 0.47 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 1uer h LYS 33 CO 0.02 0.38 0.21 1.15 -2.27 0.00 0.00 179.45 178.94 1uer h THR 34 N 0.59 1.21 -0.53 1.00 2.02 -0.73 0.27 112.91 116.75 1uer h THR 34 Ca 0.35 -0.65 -0.00 0.00 0.77 0.00 0.00 66.41 66.88 1uer h THR 34 Cb 0.38 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 67.45 1uer h THR 34 CO -0.27 0.25 0.32 1.88 0.37 0.00 0.00 175.52 178.06 1uer h TYR 35 N 0.68 0.71 -0.27 3.16 0.05 -0.72 -0.80 116.97 119.77 1uer h TYR 35 Ca 0.17 -0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.88 1uer h TYR 35 Cb 0.19 -0.23 -0.01 0.00 1.01 0.00 0.00 36.73 37.69 1uer h TYR 35 CO 0.00 0.49 -0.08 0.28 -1.05 0.00 0.00 178.16 177.81 1uer h VAL 36 N 0.72 1.28 -0.85 -2.88 2.07 -1.04 -0.28 116.25 115.27 1uer h VAL 36 Ca 0.19 -1.11 -0.02 0.00 0.82 0.00 0.00 66.70 66.58 1uer h VAL 36 Cb -0.01 1.45 -0.04 0.00 -1.52 0.00 0.00 31.29 31.17 1uer h VAL 36 CO -0.04 0.35 0.44 0.44 0.02 0.00 0.00 177.57 178.79 1uer h ASP 37 N 0.28 1.09 -0.23 0.57 3.32 -0.79 -1.27 116.42 119.39 1uer h ASP 37 Ca 0.07 -0.12 -0.13 0.00 0.02 0.00 0.00 57.03 56.87 1uer h ASP 37 Cb 0.56 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 1uer h ASP 37 CO 0.03 0.89 -0.30 0.78 -1.72 0.00 0.00 179.24 178.92 1uer h ASN 38 N 1.20 0.76 -0.21 6.45 2.35 -1.06 -2.41 115.58 122.66 1uer h ASN 38 Ca 0.30 -0.30 -0.02 0.00 -0.55 0.00 0.00 56.30 55.72 1uer h ASN 38 Cb 0.07 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.22 1uer h ASN 38 CO -0.04 1.01 0.04 0.25 -1.65 0.00 0.00 177.43 177.04 1uer h LEU 39 N 0.62 0.33 -1.33 1.61 5.85 -0.54 -0.66 115.31 121.19 1uer h LEU 39 Ca 0.07 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.55 1uer h LEU 39 Cb 0.82 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.73 1uer h LEU 39 CO 0.07 0.50 0.42 0.78 -0.34 0.00 0.00 178.44 179.87 1uer h ASN 40 N 0.16 0.76 0.02 1.25 2.35 -1.20 -2.45 115.58 116.47 1uer h ASN 40 Ca 0.07 -0.03 -0.19 0.00 -0.55 0.00 0.00 56.30 55.60 1uer h ASN 40 Cb 0.30 -0.19 0.02 0.00 0.05 0.00 0.00 38.32 38.50 1uer h ASN 40 CO 0.00 0.56 -0.77 0.50 -1.65 0.00 0.00 177.43 176.08 1uer h LYS 41 N 0.90 0.48 0.00 0.81 3.64 -1.24 -3.30 116.57 117.86 1uer h LYS 41 Ca 0.24 -0.55 -0.03 0.00 -1.27 0.00 0.00 60.65 59.04 1uer h LYS 41 Cb -0.08 0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1uer h LYS 41 CO -0.05 1.19 -0.13 -0.07 -2.27 0.00 0.00 179.45 178.12 1uer h LEU 42 N 0.01 0.00 -0.08 5.20 4.07 -0.97 -2.70 115.31 120.84 1uer h LEU 42 Ca -0.10 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.86 1uer h LEU 42 Cb 1.47 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.21 1uer h LEU 42 CO 0.15 0.13 -0.33 2.30 -1.08 0.00 0.00 178.44 179.61 1uer n ILE 43 N -3.60 0.00 -1.68 1.22 -5.35 -0.94 -4.81 119.36 104.20 1uer n ILE 43 Ca -0.02 -0.02 -0.45 0.00 -0.27 0.00 0.00 62.75 62.00 1uer n ILE 43 Cb 0.26 0.07 -0.04 0.00 -1.74 0.00 0.00 39.64 38.19 1uer n ILE 43 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 1uer n ILE 44 N -1.35 0.15 -1.16 7.28 5.41 -1.02 -1.55 119.36 127.12 1uer n ILE 44 Ca 0.07 -0.04 -0.05 0.00 1.00 0.00 0.00 62.75 63.73 1uer n ILE 44 Cb 0.33 -1.64 -0.02 0.00 -0.71 0.00 0.00 39.64 37.60 1uer n ILE 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1uer n GLY 45 N 3.33 0.78 3.72 7.39 0.00 -1.26 -5.01 105.19 114.14 1uer n GLY 45 Ca 0.16 -0.54 -0.31 0.00 0.00 0.00 0.00 46.02 45.33 1uer n GLY 45 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1uer s THR 46 N -2.11 1.48 -0.56 2.61 -4.23 -0.60 -5.01 115.64 107.22 1uer s THR 46 Ca 0.00 -1.97 0.20 0.00 -1.18 0.00 0.00 61.69 58.74 1uer s THR 46 Cb 0.00 -2.45 0.20 0.00 1.34 0.00 0.00 72.50 71.59 1uer s THR 46 CO 0.00 0.00 1.61 -1.84 -0.54 0.00 0.00 174.62 173.85 1uer n GLU 47 N -1.19 0.14 0.00 3.99 0.28 -1.26 -2.56 120.64 120.04 1uer n GLU 47 Ca -0.14 0.43 0.12 0.00 -0.16 0.00 0.00 57.16 57.42 1uer n GLU 47 Cb 0.67 -1.80 0.17 0.00 1.43 0.00 0.00 31.44 31.91 1uer n GLU 47 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 1uer n PHE 48 N -2.06 0.00 -0.38 -1.84 3.72 -1.26 -4.46 117.46 111.17 1uer n PHE 48 Ca 0.02 0.00 0.33 0.00 -0.05 0.00 0.00 57.45 57.75 1uer n PHE 48 Cb 0.17 -0.10 0.66 0.00 -0.94 0.00 0.00 39.48 39.26 1uer n PHE 48 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 1uer h GLU 49 N 0.97 0.14 0.00 -1.08 4.81 -1.50 -2.01 114.58 115.91 1uer h GLU 49 Ca 0.00 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 1uer h GLU 49 Cb 0.56 -0.03 -0.08 0.00 0.63 0.00 0.00 28.75 29.83 1uer h GLU 49 CO 0.00 0.09 -0.53 0.09 -0.73 0.00 0.00 179.01 177.94 1uer n ASN 50 N -4.41 1.58 -4.95 1.04 4.13 -1.26 -2.94 115.26 108.44 1uer n ASN 50 Ca 0.30 -3.31 -0.23 0.00 1.68 0.00 0.00 54.58 53.02 1uer n ASN 50 Cb 1.24 -0.45 -0.02 0.00 -1.54 0.00 0.00 39.78 39.01 1uer n ASN 50 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1uer s ALA 51 N -2.38 3.80 0.69 5.41 0.00 -0.76 -4.45 121.76 124.09 1uer s ALA 51 Ca 0.34 -1.03 -0.11 0.00 0.00 0.00 0.00 51.96 51.16 1uer s ALA 51 Cb 0.34 -1.95 0.00 0.00 0.00 0.00 0.00 23.12 21.52 1uer s ALA 51 CO -0.07 0.13 1.08 0.16 0.00 0.00 0.00 175.76 177.06 1uer s ASP 52 N -3.91 5.57 0.18 0.00 1.47 -1.26 -4.41 116.67 114.31 1uer s ASP 52 Ca 0.37 1.23 -0.15 0.00 1.18 0.00 0.00 52.55 55.19 1uer s ASP 52 Cb -0.10 -2.09 0.16 0.00 -0.34 0.00 0.00 42.92 40.56 1uer s ASP 52 CO 0.32 -1.27 1.69 0.25 0.68 0.00 0.00 175.17 176.84 1uer h LEU 53 N -0.61 -0.21 -0.59 2.11 5.85 -1.99 -1.98 115.31 117.90 1uer h LEU 53 Ca -0.45 0.11 0.11 0.00 0.84 0.00 0.00 57.88 58.49 1uer h LEU 53 Cb 1.24 0.20 -0.08 0.00 0.37 0.00 0.00 40.66 42.38 1uer h LEU 53 CO 0.63 -0.07 0.12 -1.13 -0.34 0.00 0.00 178.44 177.65 1uer h ASN 54 N 0.10 0.00 -0.48 1.25 -0.73 -1.98 -0.50 115.58 113.26 1uer h ASN 54 Ca 0.23 0.11 -0.05 0.00 1.87 0.00 0.00 56.30 58.46 1uer h ASN 54 Cb 0.34 0.15 -0.02 0.00 0.27 0.00 0.00 38.32 39.06 1uer h ASN 54 CO -0.39 0.01 0.13 0.74 -0.37 0.00 0.00 177.43 177.55 1uer h THR 55 N 0.26 1.22 -0.37 -3.57 2.02 -1.74 -0.26 112.91 110.47 1uer h THR 55 Ca 0.31 -0.81 -0.07 0.00 0.77 0.00 0.00 66.41 66.61 1uer h THR 55 Cb 0.45 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 1uer h THR 55 CO -0.39 0.30 -0.03 0.40 0.37 0.00 0.00 175.52 176.17 1uer h ILE 56 N 0.79 1.27 -0.72 3.11 2.04 -0.80 -1.08 117.51 122.11 1uer h ILE 56 Ca 0.17 -1.05 -0.04 0.00 1.00 0.00 0.00 64.86 64.93 1uer h ILE 56 Cb 0.29 1.22 -0.03 0.00 -0.74 0.00 0.00 36.82 37.56 1uer h ILE 56 CO -0.00 0.35 0.28 0.58 0.00 0.00 0.00 178.15 179.35 1uer h VAL 57 N 0.48 1.25 0.00 1.67 2.07 -0.84 0.12 116.25 120.99 1uer h VAL 57 Ca 0.10 -0.80 -0.09 0.00 0.82 0.00 0.00 66.70 66.73 1uer h VAL 57 Cb 0.51 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1uer h VAL 57 CO 0.03 0.32 -0.44 1.56 0.02 0.00 0.00 177.57 179.06 1uer h GLN 58 N 1.05 0.00 0.00 1.57 4.20 -0.84 -3.39 115.11 117.71 1uer h GLN 58 Ca 0.24 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.95 1uer h GLN 58 Cb 0.22 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.00 1uer h GLN 58 CO -0.02 0.44 -1.12 1.63 -0.67 0.00 0.00 178.83 179.09 1uer n LYS 59 N -3.58 0.09 -1.65 1.46 4.01 -0.43 -4.95 118.16 113.11 1uer n LYS 59 Ca -0.00 -0.02 -0.30 0.00 -0.51 0.00 0.00 58.31 57.48 1uer n LYS 59 Cb 0.54 -1.06 0.18 0.00 -0.51 0.00 0.00 35.03 34.18 1uer n LYS 59 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 1uer s SER 60 N -2.31 2.86 0.32 4.39 1.04 0.38 -5.07 113.70 115.31 1uer s SER 60 Ca -0.01 0.56 -0.08 0.00 0.48 0.00 0.00 55.95 56.91 1uer s SER 60 Cb 0.02 -0.82 0.01 0.00 0.10 0.00 0.00 66.02 65.32 1uer s SER 60 CO 0.11 -2.92 0.52 -1.61 0.98 0.00 0.00 173.24 170.32 1uer s GLU 61 N -5.61 1.84 5.42 4.02 2.02 -1.26 -4.72 118.70 120.41 1uer s GLU 61 Ca 0.70 -1.55 0.00 0.00 0.02 0.00 0.00 54.97 54.14 1uer s GLU 61 Cb -0.08 0.48 0.00 0.00 0.10 0.00 0.00 34.13 34.62 1uer s GLU 61 CO 0.53 -0.78 0.00 0.41 0.02 0.00 0.00 175.26 175.44 1uer n GLY 62 N -0.50 2.62 0.29 -1.39 0.00 -1.26 -2.29 105.19 102.66 1uer n GLY 62 Ca -0.01 -0.40 -0.02 0.00 0.00 0.00 0.00 46.02 45.59 1uer n GLY 62 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1uer h GLY 63 N 0.00 0.75 0.98 -0.02 0.00 -2.00 -1.02 103.07 101.76 1uer h GLY 63 Ca 0.00 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 46.87 1uer h GLY 63 CO 0.00 0.42 0.26 -2.22 0.00 0.00 0.00 176.54 175.00 1uer h ILE 64 N 0.67 1.18 -0.50 2.60 2.04 -1.92 -1.81 117.51 119.76 1uer h ILE 64 Ca 0.14 -0.48 -0.05 0.00 1.00 0.00 0.00 64.86 65.48 1uer h ILE 64 Cb 0.33 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 1uer h ILE 64 CO 0.01 0.19 0.12 0.15 0.00 0.00 0.00 178.15 178.62 1uer h PHE 65 N 0.65 0.85 -0.54 1.37 3.57 -1.07 -0.05 116.94 121.72 1uer h PHE 65 Ca 0.17 -0.10 0.08 0.00 3.53 0.00 0.00 57.97 61.65 1uer h PHE 65 Cb 0.08 -0.24 -0.07 0.00 2.79 0.00 0.00 35.95 38.51 1uer h PHE 65 CO -0.01 0.76 0.18 -0.91 -2.23 0.00 0.00 178.31 176.10 1uer h ASN 66 N 0.70 0.16 0.27 0.41 2.35 -0.77 0.39 115.58 119.08 1uer h ASN 66 Ca 0.16 0.07 -0.25 0.00 -0.55 0.00 0.00 56.30 55.73 1uer h ASN 66 Cb 0.34 0.07 0.01 0.00 0.05 0.00 0.00 38.32 38.79 1uer h ASN 66 CO 0.00 0.11 -1.04 0.78 -1.65 0.00 0.00 177.43 175.63 1uer h ASN 67 N 0.35 0.66 -0.23 5.81 2.35 -1.20 -2.30 115.58 121.02 1uer h ASN 67 Ca 0.27 -0.55 -0.05 0.00 -0.55 0.00 0.00 56.30 55.41 1uer h ASN 67 Cb 0.32 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 1uer h ASN 67 CO -0.28 1.36 -0.06 0.00 -1.65 0.00 0.00 177.43 176.80 1uer h ALA 68 N 0.59 0.32 -0.56 -0.83 0.00 -0.65 -0.50 119.26 117.63 1uer h ALA 68 Ca -0.11 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1uer h ALA 68 Cb 1.69 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.38 1uer h ALA 68 CO 0.19 0.12 0.36 0.78 0.00 0.00 0.00 179.25 180.70 1uer h GLY 69 N 0.19 0.79 1.28 0.00 0.00 -0.30 -1.12 103.07 103.90 1uer h GLY 69 Ca 0.06 -0.31 -0.08 0.00 0.00 0.00 0.00 47.33 47.01 1uer h GLY 69 CO 0.02 0.30 0.03 1.46 0.00 0.00 0.00 176.54 178.35 1uer h GLN 70 N 0.75 0.88 0.00 4.80 1.08 -1.34 -0.29 115.11 121.00 1uer h GLN 70 Ca 0.20 -0.24 -0.00 0.00 -1.45 0.00 0.00 58.65 57.16 1uer h GLN 70 Cb -0.06 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.26 1uer h GLN 70 CO -0.04 0.86 -0.00 1.15 -0.95 0.00 0.00 178.83 179.85 1uer h THR 71 N 0.82 1.08 -0.30 -0.54 2.02 -0.63 -1.00 112.91 114.36 1uer h THR 71 Ca 0.16 -0.25 -0.00 0.00 0.77 0.00 0.00 66.41 67.08 1uer h THR 71 Cb 0.45 1.26 -0.01 0.00 -1.74 0.00 0.00 68.15 68.11 1uer h THR 71 CO 0.02 0.07 0.18 0.25 0.37 0.00 0.00 175.52 176.40 1uer h LEU 72 N -0.11 0.37 -0.29 2.58 5.85 -1.09 -0.72 115.31 121.90 1uer h LEU 72 Ca -0.00 -0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.72 1uer h LEU 72 Cb 0.11 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 40.99 1uer h LEU 72 CO 0.00 0.32 -0.08 0.78 -0.34 0.00 0.00 178.44 179.12 1uer h ASN 73 N 0.38 -0.30 0.06 1.25 2.35 -0.95 -1.79 115.58 116.58 1uer h ASN 73 Ca 0.11 0.09 -0.10 0.00 -0.55 0.00 0.00 56.30 55.85 1uer h ASN 73 Cb 0.03 0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 1uer h ASN 73 CO -0.02 -0.11 -0.33 0.45 -1.65 0.00 0.00 177.43 175.77 1uer h HIS 74 N -0.02 0.44 -0.62 1.19 3.86 -0.97 0.09 115.15 119.13 1uer h HIS 74 Ca 0.14 -0.11 -0.04 0.00 -1.16 0.00 0.00 60.37 59.21 1uer h HIS 74 Cb 0.23 -0.10 -0.03 0.00 1.06 0.00 0.00 27.41 28.57 1uer h HIS 74 CO -0.29 0.67 0.25 -0.91 0.86 0.00 0.00 177.93 178.51 1uer h ASN 75 N 0.33 0.86 -0.40 2.45 2.35 -0.66 0.12 115.58 120.63 1uer h ASN 75 Ca 0.04 -0.17 -0.11 0.00 -0.55 0.00 0.00 56.30 55.50 1uer h ASN 75 Cb 0.74 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.88 1uer h ASN 75 CO 0.06 0.80 -0.20 -0.07 -1.65 0.00 0.00 177.43 176.37 1uer h LEU 76 N 0.87 0.87 0.51 1.61 3.38 -1.11 -2.58 115.31 118.86 1uer h LEU 76 Ca 0.21 -0.40 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 1uer h LEU 76 Cb 0.21 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1uer h LEU 76 CO -0.02 1.08 -0.29 0.22 0.09 0.00 0.00 178.44 179.53 1uer h TYR 77 N 0.65 -0.75 -0.04 1.13 3.20 -0.59 -2.70 116.97 117.87 1uer h TYR 77 Ca 0.09 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.87 1uer h TYR 77 Cb 0.75 0.26 -0.01 0.00 1.54 0.00 0.00 36.73 39.27 1uer h TYR 77 CO 0.06 -0.45 -0.33 0.74 -1.64 0.00 0.00 178.16 176.54 1uer h PHE 78 N -0.75 0.09 0.00 -3.82 0.04 -1.04 -3.09 116.94 108.37 1uer h PHE 78 Ca -0.06 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.69 1uer h PHE 78 Cb 0.60 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.72 1uer h PHE 78 CO -0.07 0.41 -0.12 0.25 -0.60 0.00 0.00 178.31 178.18 1uer n THR 79 N -4.12 0.09 1.31 -1.55 -2.24 -0.97 -3.67 114.28 103.12 1uer n THR 79 Ca -0.02 -0.05 0.13 0.00 -2.27 0.00 0.00 64.05 61.85 1uer n THR 79 Cb 0.39 -0.36 0.39 0.00 -2.10 0.00 0.00 70.33 68.65 1uer n THR 79 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1uer n GLN 80 N -1.62 1.30 -4.09 -0.78 10.64 -1.03 -4.91 117.38 116.89 1uer n GLN 80 Ca 0.06 -0.82 -0.31 0.00 -1.83 0.00 0.00 57.00 54.11 1uer n GLN 80 Cb 0.35 -1.48 -0.07 0.00 -0.86 0.00 0.00 30.24 28.18 1uer n GLN 80 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 1uer s PHE 81 N -2.26 3.12 -0.10 2.61 0.08 -1.24 -0.99 117.98 119.19 1uer s PHE 81 Ca 0.30 0.04 -0.29 0.00 0.12 0.00 0.00 56.93 57.10 1uer s PHE 81 Cb 0.20 -1.60 0.07 0.00 -0.57 0.00 0.00 43.02 41.12 1uer s PHE 81 CO 0.43 0.50 0.67 1.03 -0.10 0.00 0.00 175.22 177.76 1uer s ARG 82 N -2.30 0.99 0.67 0.44 1.81 0.23 -4.84 118.95 115.95 1uer s ARG 82 Ca 0.27 0.41 -0.11 0.00 -1.72 0.00 0.00 55.73 54.57 1uer s ARG 82 Cb -0.12 0.47 -0.01 0.00 -0.45 0.00 0.00 34.95 34.84 1uer s ARG 82 CO 0.20 -0.27 1.05 -1.25 -0.68 0.00 0.00 175.30 174.35 1uer s PRO 83 N -0.84 3.11 -1.60 3.54 0.04 -1.26 -3.87 135.00 134.12 1uer s PRO 83 Ca -0.09 0.95 0.00 0.00 0.04 0.00 0.00 61.00 61.91 1uer s PRO 83 Cb -0.01 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.52 1uer s PRO 83 CO 0.08 -0.97 0.00 0.41 0.04 0.00 0.00 177.00 176.56 1uer n GLY 84 N -1.98 0.86 0.00 0.56 0.00 -1.26 -4.94 105.19 98.42 1uer n GLY 84 Ca 0.07 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1uer n GLY 84 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1uer n LYS 85 N -2.54 0.00 0.00 1.61 4.76 -1.25 -5.10 118.16 115.64 1uer n LYS 85 Ca -0.18 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.26 1uer n LYS 85 Cb 0.58 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.77 1uer n LYS 85 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1uer n GLY 86 N 4.25 0.33 7.00 0.72 0.00 0.38 -4.91 105.19 112.96 1uer n GLY 86 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.10 1uer n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uer n GLY 87 N 0.00 -0.71 3.64 -0.02 0.00 -1.26 -4.65 105.19 102.19 1uer n GLY 87 Ca 0.00 -1.15 -0.28 0.00 0.00 0.00 0.00 46.02 44.59 1uer n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uer s ALA 88 N -1.21 3.13 0.58 4.61 0.00 -1.26 -5.01 121.76 122.61 1uer s ALA 88 Ca 0.00 -1.31 -0.18 0.00 0.00 0.00 0.00 51.96 50.47 1uer s ALA 88 Cb 0.00 -0.98 -0.04 0.00 0.00 0.00 0.00 23.12 22.10 1uer s ALA 88 CO 0.00 0.56 1.14 -1.25 0.00 0.00 0.00 175.76 176.21 1uer s PRO 89 N -2.65 3.14 0.12 0.00 0.04 -1.26 -4.96 135.00 129.43 1uer s PRO 89 Ca 0.25 1.62 0.01 0.00 0.04 0.00 0.00 61.00 62.92 1uer s PRO 89 Cb -0.10 -1.98 -0.00 0.00 0.04 0.00 0.00 34.50 32.46 1uer s PRO 89 CO 0.17 -1.02 0.03 0.36 0.04 0.00 0.00 177.00 176.58 1uer n LYS 90 N -1.60 1.11 0.00 4.56 2.85 -1.26 -4.37 118.16 119.45 1uer n LYS 90 Ca 0.12 -0.99 0.00 0.00 -1.05 0.00 0.00 58.31 56.39 1uer n LYS 90 Cb 0.51 0.45 0.00 0.00 -0.65 0.00 0.00 35.03 35.33 1uer n LYS 90 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1uer n GLY 91 N 2.06 0.98 0.21 2.58 0.00 -1.26 -1.51 105.19 108.25 1uer n GLY 91 Ca -0.03 -0.61 -0.01 0.00 0.00 0.00 0.00 46.02 45.37 1uer n GLY 91 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1uer h LYS 92 N 0.00 0.17 -0.03 1.61 1.57 -1.98 -1.48 116.57 116.43 1uer h LYS 92 Ca 0.00 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1uer h LYS 92 Cb 0.00 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 1uer h LYS 92 CO 0.00 0.11 0.01 1.25 -0.57 0.00 0.00 179.45 180.25 1uer h LEU 93 N 0.17 0.04 -0.64 2.94 5.85 -1.91 -0.82 115.31 120.94 1uer h LEU 93 Ca 0.27 -0.24 0.12 0.00 0.84 0.00 0.00 57.88 58.87 1uer h LEU 93 Cb 0.40 -0.01 -0.09 0.00 0.37 0.00 0.00 40.66 41.33 1uer h LEU 93 CO -0.40 0.27 0.14 1.23 -0.34 0.00 0.00 178.44 179.34 1uer h GLY 94 N -0.19 0.83 1.78 3.75 0.00 -0.92 0.13 103.07 108.45 1uer h GLY 94 Ca 0.01 -0.03 -0.13 0.00 0.00 0.00 0.00 47.33 47.17 1uer h GLY 94 CO 0.00 -0.13 -0.55 0.83 0.00 0.00 0.00 176.54 176.69 1uer h GLU 95 N 0.26 0.24 -0.11 4.80 4.39 -1.12 -2.45 114.58 120.59 1uer h GLU 95 Ca 0.34 -0.15 -0.13 0.00 0.34 0.00 0.00 59.36 59.76 1uer h GLU 95 Cb 0.52 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.18 1uer h GLU 95 CO -0.43 0.72 -0.50 0.00 -1.16 0.00 0.00 179.01 177.65 1uer h ALA 96 N 1.25 0.95 -0.42 3.43 0.00 0.06 -1.42 119.26 123.11 1uer h ALA 96 Ca 0.00 -0.47 -0.14 0.00 0.00 0.00 0.00 54.91 54.30 1uer h ALA 96 Cb 1.02 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1uer h ALA 96 CO 0.08 0.66 -0.28 0.82 0.00 0.00 0.00 179.25 180.53 1uer h ILE 97 N 0.23 1.27 -0.48 0.00 2.04 -0.60 -1.57 117.51 118.40 1uer h ILE 97 Ca 0.01 -1.44 -0.05 0.00 1.00 0.00 0.00 64.86 64.37 1uer h ILE 97 Cb 0.96 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 38.26 1uer h ILE 97 CO 0.08 0.49 0.09 0.44 0.00 0.00 0.00 178.15 179.24 1uer h ASP 98 N 0.78 0.76 -0.52 1.72 3.32 -1.19 -0.21 116.42 121.08 1uer h ASP 98 Ca 0.09 -0.25 -0.13 0.00 0.02 0.00 0.00 57.03 56.76 1uer h ASP 98 Cb 0.85 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.19 1uer h ASP 98 CO 0.07 0.82 -0.17 0.50 -1.72 0.00 0.00 179.24 178.74 1uer h LYS 99 N 0.66 1.02 0.05 3.56 3.64 -1.17 0.14 116.57 124.47 1uer h LYS 99 Ca 0.15 -0.41 -0.28 0.00 -1.27 0.00 0.00 60.65 58.83 1uer h LYS 99 Cb 0.38 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.12 1uer h LYS 99 CO 0.01 1.10 -1.49 1.96 -2.27 0.00 0.00 179.45 178.76 1uer h GLN 100 N 0.89 0.10 -0.01 1.90 4.20 -1.25 -3.38 115.11 117.56 1uer h GLN 100 Ca 0.13 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1uer h GLN 100 Cb 0.75 0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.59 1uer h GLN 100 CO 0.06 0.86 -0.10 1.19 -0.67 0.00 0.00 178.83 180.17 1uer n PHE 101 N -3.28 0.00 0.00 2.96 3.72 -0.09 -5.02 117.46 115.75 1uer n PHE 101 Ca -0.13 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.27 1uer n PHE 101 Cb 1.02 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.56 1uer n PHE 101 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1uer n GLY 102 N 0.70 2.41 3.57 1.37 0.00 0.50 -4.50 105.19 109.23 1uer n GLY 102 Ca 0.04 -0.51 -0.09 0.00 0.00 0.00 0.00 46.02 45.46 1uer n GLY 102 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uer s SER 103 N 0.00 -0.39 0.23 1.61 1.04 -1.25 -4.75 113.70 110.19 1uer s SER 103 Ca 0.00 -0.16 -0.04 0.00 0.48 0.00 0.00 55.95 56.24 1uer s SER 103 Cb 0.00 0.53 0.24 0.00 0.10 0.00 0.00 66.02 66.89 1uer s SER 103 CO 0.00 -0.90 1.68 0.15 0.98 0.00 0.00 173.24 175.15 1uer h PHE 104 N 2.00 0.87 -0.49 5.02 3.57 -1.91 -1.80 116.94 124.19 1uer h PHE 104 Ca -0.26 -0.17 -0.09 0.00 3.53 0.00 0.00 57.97 60.99 1uer h PHE 104 Cb 1.27 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.76 1uer h PHE 104 CO 0.29 0.87 -0.04 0.93 -2.23 0.00 0.00 178.31 178.14 1uer h GLU 105 N 0.71 0.85 -0.27 1.11 4.39 -1.96 -0.83 114.58 118.58 1uer h GLU 105 Ca 0.12 -0.26 -0.16 0.00 0.34 0.00 0.00 59.36 59.40 1uer h GLU 105 Cb 0.61 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.17 1uer h GLU 105 CO 0.04 0.88 -0.48 -0.22 -1.16 0.00 0.00 179.01 178.07 1uer h LYS 106 N 0.78 0.74 -0.41 2.33 1.63 -1.82 -2.24 116.57 117.59 1uer h LYS 106 Ca 0.14 -0.43 -0.01 0.00 -0.85 0.00 0.00 60.65 59.50 1uer h LYS 106 Cb 0.52 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 32.17 1uer h LYS 106 CO 0.03 1.06 0.22 0.35 -3.45 0.00 0.00 179.45 177.65 1uer h PHE 107 N 0.59 0.56 -0.90 1.91 3.57 -1.01 -1.54 116.94 120.12 1uer h PHE 107 Ca 0.03 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 1uer h PHE 107 Cb 1.05 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 39.57 1uer h PHE 107 CO 0.06 0.44 0.52 0.87 -2.23 0.00 0.00 178.31 177.96 1uer h LYS 108 N 0.52 1.23 -0.68 1.11 1.57 -1.01 0.20 116.57 119.51 1uer h LYS 108 Ca 0.14 -0.12 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 1uer h LYS 108 Cb 0.07 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.09 1uer h LYS 108 CO -0.02 0.87 0.22 1.49 -0.57 0.00 0.00 179.45 181.44 1uer h GLU 109 N 1.24 1.04 -0.25 3.15 4.81 -0.99 0.14 114.58 123.72 1uer h GLU 109 Ca 0.32 -0.21 -0.16 0.00 -0.13 0.00 0.00 59.36 59.18 1uer h GLU 109 Cb -0.02 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.19 1uer h GLU 109 CO -0.06 0.88 -0.49 0.93 -0.73 0.00 0.00 179.01 179.54 1uer h GLU 110 N 1.00 0.68 -0.37 1.92 5.08 -0.62 -1.41 114.58 120.87 1uer h GLU 110 Ca 0.22 -0.40 -0.09 0.00 -1.00 0.00 0.00 59.36 58.09 1uer h GLU 110 Cb 0.27 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1uer h GLU 110 CO -0.01 1.02 -0.11 0.35 -1.00 0.00 0.00 179.01 179.26 1uer h PHE 111 N 0.54 0.82 -0.85 4.33 3.57 -0.65 -1.55 116.94 123.15 1uer h PHE 111 Ca 0.02 -0.18 -0.01 0.00 3.53 0.00 0.00 57.97 61.33 1uer h PHE 111 Cb 1.05 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 39.55 1uer h PHE 111 CO 0.05 0.88 0.49 -0.91 -2.23 0.00 0.00 178.31 176.60 1uer h ASN 112 N 0.52 1.04 -0.50 0.41 2.35 -0.63 -1.36 115.58 117.40 1uer h ASN 112 Ca 0.09 -0.08 -0.07 0.00 -0.55 0.00 0.00 56.30 55.69 1uer h ASN 112 Cb 0.63 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.72 1uer h ASN 112 CO 0.04 0.81 0.02 0.74 -1.65 0.00 0.00 177.43 177.40 1uer h THR 113 N 1.17 1.26 -0.88 2.81 2.02 -1.08 0.08 112.91 118.30 1uer h THR 113 Ca 0.30 -1.05 -0.02 0.00 0.77 0.00 0.00 66.41 66.41 1uer h THR 113 Cb -0.02 0.95 -0.04 0.00 -1.74 0.00 0.00 68.15 67.30 1uer h THR 113 CO -0.05 0.37 0.46 0.00 0.37 0.00 0.00 175.52 176.67 1uer h ALA 114 N 0.94 1.13 -0.18 6.16 0.00 -0.88 -0.77 119.26 125.66 1uer h ALA 114 Ca 0.14 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 1uer h ALA 114 Cb 0.49 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1uer h ALA 114 CO 0.02 0.67 -0.45 0.78 0.00 0.00 0.00 179.25 180.26 1uer h GLY 115 N 1.25 0.50 1.09 0.00 0.00 -0.97 -2.82 103.07 102.11 1uer h GLY 115 Ca 0.31 -0.52 -0.19 0.00 0.00 0.00 0.00 47.33 46.93 1uer h GLY 115 CO -0.05 0.47 -0.62 -0.84 0.00 0.00 0.00 176.54 175.50 1uer h THR 116 N 0.37 1.29 -0.00 4.70 2.02 -0.62 -3.27 112.91 117.40 1uer h THR 116 Ca 0.02 -1.84 0.00 0.00 0.77 0.00 0.00 66.41 65.37 1uer h THR 116 Cb 0.94 1.90 0.00 0.00 -1.74 0.00 0.00 68.15 69.25 1uer h THR 116 CO 0.08 0.58 -0.05 0.35 0.37 0.00 0.00 175.52 176.85 1uer n THR 117 N -4.04 0.00 -2.17 3.16 -2.24 -0.33 -4.79 114.28 103.86 1uer n THR 117 Ca -0.07 -0.04 -0.43 0.00 -2.27 0.00 0.00 64.05 61.25 1uer n THR 117 Cb 0.67 -0.27 -0.02 0.00 -2.10 0.00 0.00 70.33 68.60 1uer n THR 117 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1uer s LEU 118 N -2.40 3.86 -0.09 3.22 0.20 -1.07 -4.96 118.68 117.45 1uer s LEU 118 Ca 0.33 1.50 -0.28 0.00 0.69 0.00 0.00 54.13 56.37 1uer s LEU 118 Cb 0.20 -3.53 -0.02 0.00 -0.43 0.00 0.00 46.19 42.41 1uer s LEU 118 CO 0.45 -1.25 0.91 0.12 -0.29 0.00 0.00 176.35 176.28 1uer s PHE 119 N 5.13 3.54 0.00 5.38 5.36 -1.26 -4.86 117.98 131.27 1uer s PHE 119 Ca 0.69 1.48 0.00 0.00 -0.96 0.00 0.00 56.93 58.14 1uer s PHE 119 Cb -0.23 -3.06 0.00 0.00 -0.34 0.00 0.00 43.02 39.39 1uer s PHE 119 CO 0.28 -0.12 0.00 0.41 -1.46 0.00 0.00 175.22 174.33 1uer n GLY 120 N 3.14 -1.03 3.87 13.12 0.00 -1.26 -4.92 105.19 118.11 1uer n GLY 120 Ca 0.05 -1.57 -0.31 0.00 0.00 0.00 0.00 46.02 44.19 1uer n GLY 120 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uer s SER 121 N -4.00 6.60 0.00 1.61 0.01 -1.26 -4.79 113.70 111.87 1uer s SER 121 Ca 0.00 1.08 0.00 0.00 1.31 0.00 0.00 55.95 58.34 1uer s SER 121 Cb 0.00 -2.30 0.00 0.00 0.21 0.00 0.00 66.02 63.93 1uer s SER 121 CO 0.00 -0.26 0.00 0.61 0.41 0.00 0.00 173.24 174.00 1uer n GLY 122 N -0.80 -1.23 3.08 3.44 0.00 -1.26 -1.03 105.19 107.39 1uer n GLY 122 Ca 0.02 -1.16 -0.17 0.00 0.00 0.00 0.00 46.02 44.71 1uer n GLY 122 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1uer s TRP 123 N -3.00 0.88 -0.18 1.61 0.52 -0.12 -0.66 118.94 117.98 1uer s TRP 123 Ca 0.00 -0.36 -0.04 0.00 0.02 0.00 0.00 56.10 55.72 1uer s TRP 123 Cb 0.00 -0.52 -0.02 0.00 -1.15 0.00 0.00 33.47 31.77 1uer s TRP 123 CO 0.00 -0.01 -0.03 0.54 0.02 0.00 0.00 176.95 177.47 1uer s VAL 124 N -0.91 3.78 -0.03 4.03 0.11 -0.44 -0.40 120.40 126.54 1uer s VAL 124 Ca -0.03 -0.38 0.07 0.00 -2.93 0.00 0.00 61.98 58.71 1uer s VAL 124 Cb -0.08 -2.69 -0.01 0.00 -1.53 0.00 0.00 36.38 32.07 1uer s VAL 124 CO 0.01 0.46 -0.23 0.26 -3.33 0.00 0.00 175.10 172.26 1uer s TRP 125 N 0.81 2.13 -0.21 1.54 0.52 0.25 -0.97 118.94 123.00 1uer s TRP 125 Ca -0.01 -0.49 -0.14 0.00 0.02 0.00 0.00 56.10 55.48 1uer s TRP 125 Cb -0.14 -1.39 -0.04 0.00 -1.15 0.00 0.00 33.47 30.75 1uer s TRP 125 CO 0.02 -0.10 0.33 -1.17 0.02 0.00 0.00 176.95 176.06 1uer s LEU 126 N -0.38 4.14 0.16 2.99 2.96 0.31 -0.03 118.68 128.83 1uer s LEU 126 Ca 0.04 0.40 0.02 0.00 -0.22 0.00 0.00 54.13 54.38 1uer s LEU 126 Cb -0.10 -2.40 -0.05 0.00 0.50 0.00 0.00 46.19 44.14 1uer s LEU 126 CO 0.01 -0.04 -0.02 0.00 -1.32 0.00 0.00 176.35 174.98 1uer s ALA 127 N 1.26 1.34 0.11 5.97 0.00 -0.47 -0.99 121.76 128.98 1uer s ALA 127 Ca 0.16 -1.56 0.05 0.00 0.00 0.00 0.00 51.96 50.61 1uer s ALA 127 Cb -0.14 0.44 -0.04 0.00 0.00 0.00 0.00 23.12 23.38 1uer s ALA 127 CO 0.07 -0.28 -0.12 -1.54 0.00 0.00 0.00 175.76 173.89 1uer s SER 128 N -3.16 1.71 0.29 0.00 1.04 -0.65 -1.49 113.70 111.44 1uer s SER 128 Ca 0.22 -0.83 0.05 0.00 0.48 0.00 0.00 55.95 55.86 1uer s SER 128 Cb 0.06 -0.03 0.05 0.00 0.10 0.00 0.00 66.02 66.20 1uer s SER 128 CO 0.03 -0.22 0.39 -0.90 0.98 0.00 0.00 173.24 173.52 1uer n ASP 129 N 0.46 1.05 0.27 7.02 5.68 -0.42 -0.88 116.55 129.74 1uer n ASP 129 Ca -0.15 -1.76 0.17 0.00 -0.50 0.00 0.00 54.79 52.55 1uer n ASP 129 Cb 0.58 -0.21 0.94 0.00 -1.14 0.00 0.00 41.12 41.29 1uer n ASP 129 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1uer h ALA 130 N 0.32 1.52 -0.49 2.12 0.00 -1.91 -1.83 119.26 118.99 1uer h ALA 130 Ca -0.13 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1uer h ALA 130 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1uer h ALA 130 CO 0.19 -0.13 0.00 0.09 0.00 0.00 0.00 179.25 179.41 1uer n ASN 131 N -3.63 3.42 0.00 0.00 5.03 -1.26 -4.95 115.26 113.87 1uer n ASN 131 Ca -0.01 -1.96 0.00 0.00 0.87 0.00 0.00 54.58 53.47 1uer n ASN 131 Cb 0.19 -0.32 0.00 0.00 -1.02 0.00 0.00 39.78 38.62 1uer n ASN 131 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1uer n GLY 132 N 1.23 0.73 3.70 7.41 0.00 -0.69 -5.03 105.19 112.54 1uer n GLY 132 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1uer n GLY 132 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1uer s LYS 133 N -0.46 4.35 0.29 1.61 2.20 -1.26 -4.74 119.74 121.74 1uer s LYS 133 Ca 0.00 1.85 -0.09 0.00 -0.36 0.00 0.00 55.97 57.37 1uer s LYS 133 Cb 0.00 -3.45 -0.07 0.00 -1.51 0.00 0.00 37.83 32.80 1uer s LYS 133 CO 0.00 -0.43 0.61 -0.51 -0.36 0.00 0.00 175.35 174.67 1uer s LEU 134 N 1.76 4.06 0.07 5.43 1.43 -1.26 -1.30 118.68 128.87 1uer s LEU 134 Ca 0.60 0.94 -0.19 0.00 -1.03 0.00 0.00 54.13 54.46 1uer s LEU 134 Cb -0.30 -3.75 0.04 0.00 0.03 0.00 0.00 46.19 42.21 1uer s LEU 134 CO 0.27 -0.18 0.44 -0.94 0.23 0.00 0.00 176.35 176.16 1uer s SER 135 N -2.72 -0.31 -0.23 2.29 1.04 -0.55 -4.99 113.70 108.22 1uer s SER 135 Ca 0.48 -0.05 -0.05 0.00 0.48 0.00 0.00 55.95 56.81 1uer s SER 135 Cb -0.11 0.46 -0.02 0.00 0.10 0.00 0.00 66.02 66.45 1uer s SER 135 CO 0.25 -0.73 0.01 -0.63 0.98 0.00 0.00 173.24 173.12 1uer s ILE 136 N -2.85 3.82 -0.14 -1.02 1.01 -1.26 -1.37 121.20 119.38 1uer s ILE 136 Ca -0.03 -0.34 -0.02 0.00 0.00 0.00 0.00 60.65 60.26 1uer s ILE 136 Cb -0.00 -2.76 -0.02 0.00 0.01 0.00 0.00 42.46 39.69 1uer s ILE 136 CO -0.05 0.39 -0.09 -1.61 0.00 0.00 0.00 174.94 173.58 1uer s GLU 137 N 1.51 3.51 -0.30 2.79 0.41 0.96 -4.97 118.70 122.61 1uer s GLU 137 Ca 0.06 -0.61 -0.13 0.00 -0.41 0.00 0.00 54.97 53.88 1uer s GLU 137 Cb -0.15 -2.77 -0.03 0.00 -1.78 0.00 0.00 34.13 29.40 1uer s GLU 137 CO 0.00 0.22 0.26 0.15 -0.49 0.00 0.00 175.26 175.40 1uer s LYS 138 N 0.38 3.80 -0.31 1.61 1.02 -1.26 -0.58 119.74 124.40 1uer s LYS 138 Ca -0.08 -0.35 -0.03 0.00 0.02 0.00 0.00 55.97 55.54 1uer s LYS 138 Cb -0.15 -3.71 0.05 0.00 -0.52 0.00 0.00 37.83 33.49 1uer s LYS 138 CO 0.04 -0.31 0.02 -1.21 -0.92 0.00 0.00 175.35 172.97 1uer s GLU 139 N 1.84 2.46 0.56 1.68 0.41 0.46 -5.00 118.70 121.12 1uer s GLU 139 Ca 0.09 -1.25 -0.20 0.00 -0.41 0.00 0.00 54.97 53.20 1uer s GLU 139 Cb -0.16 -3.23 -0.05 0.00 -1.78 0.00 0.00 34.13 28.91 1uer s GLU 139 CO 0.11 -0.63 1.17 -2.14 -0.49 0.00 0.00 175.26 173.28 1uer s PRO 140 N 1.28 3.23 2.39 0.39 0.02 -1.26 -0.95 135.00 140.11 1uer s PRO 140 Ca -0.05 1.73 0.00 0.00 0.02 0.00 0.00 61.00 62.71 1uer s PRO 140 Cb -0.20 -2.02 0.00 0.00 0.02 0.00 0.00 34.50 32.30 1uer s PRO 140 CO -0.00 -0.97 0.00 0.09 -0.33 0.00 0.00 177.00 175.78 1uer n ASN 141 N -1.33 0.00 -0.83 2.53 3.02 -0.20 -1.54 115.26 116.91 1uer n ASN 141 Ca 0.12 0.00 0.09 0.00 -0.03 0.00 0.00 54.58 54.76 1uer n ASN 141 Cb 0.50 0.00 0.27 0.00 -0.61 0.00 0.00 39.78 39.94 1uer n ASN 141 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1uer n ALA 142 N 8.72 2.45 -1.58 5.41 0.00 -1.26 -4.27 120.51 129.98 1uer n ALA 142 Ca 0.00 -0.77 -0.38 0.00 0.00 0.00 0.00 53.44 52.29 1uer n ALA 142 Cb 0.00 -0.99 0.05 0.00 0.00 0.00 0.00 19.45 18.51 1uer n ALA 142 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uer n GLY 143 N 1.27 -0.60 3.28 0.00 0.00 -0.59 -4.14 105.19 104.41 1uer n GLY 143 Ca 0.17 -0.14 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 1uer n GLY 143 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1uer s ASN 144 N -1.22 -0.37 0.65 1.61 3.84 -1.26 -4.82 114.94 113.37 1uer s ASN 144 Ca 0.74 0.65 0.37 0.00 0.21 0.00 0.00 52.86 54.82 1uer s ASN 144 Cb -0.43 0.70 2.01 0.00 -0.55 0.00 0.00 41.25 42.98 1uer s ASN 144 CO 0.49 -0.21 2.16 -0.65 -2.79 0.00 0.00 177.10 176.10 1uer h PRO 145 N 5.13 0.00 0.00 0.43 0.11 -1.96 -1.39 132.00 134.33 1uer h PRO 145 Ca -0.27 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.83 1uer h PRO 145 Cb 1.18 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 1uer h PRO 145 CO 0.29 0.00 -0.05 -0.39 -0.21 0.00 0.00 178.00 177.64 1uer h VAL 146 N 0.00 0.34 0.00 3.15 -1.51 -1.94 -1.53 116.25 114.76 1uer h VAL 146 Ca 0.01 -0.28 -0.02 0.00 -1.23 0.00 0.00 66.70 65.18 1uer h VAL 146 Cb 0.33 1.21 -0.00 0.00 -2.13 0.00 0.00 31.29 30.69 1uer h VAL 146 CO -0.00 0.05 -0.09 -0.09 -1.23 0.00 0.00 177.57 176.20 1uer h ARG 147 N 0.00 0.00 -0.35 5.19 2.43 -1.53 -1.17 114.38 118.94 1uer h ARG 147 Ca -0.00 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.05 1uer h ARG 147 Cb 0.20 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.68 1uer h ARG 147 CO 0.01 0.09 0.00 0.36 -1.51 0.00 0.00 179.97 178.92 1uer n LYS 148 N -3.69 2.35 -1.77 0.20 2.85 -0.72 -4.95 118.16 112.42 1uer n LYS 148 Ca -0.02 -3.02 -0.09 0.00 -1.05 0.00 0.00 58.31 54.12 1uer n LYS 148 Cb 0.20 -1.85 -0.02 0.00 -0.65 0.00 0.00 35.03 32.71 1uer n LYS 148 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1uer n GLY 149 N -0.86 0.49 3.84 2.58 0.00 -0.44 -5.04 105.19 105.77 1uer n GLY 149 Ca 0.30 -0.54 -0.21 0.00 0.00 0.00 0.00 46.02 45.56 1uer n GLY 149 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uer s LEU 150 N -2.47 3.52 -0.25 0.99 1.43 -0.66 -4.82 118.68 116.42 1uer s LEU 150 Ca 0.00 -0.57 -0.15 0.00 -1.03 0.00 0.00 54.13 52.38 1uer s LEU 150 Cb 0.00 -2.13 -0.04 0.00 0.03 0.00 0.00 46.19 44.06 1uer s LEU 150 CO 0.00 -0.40 0.38 0.20 0.23 0.00 0.00 176.35 176.75 1uer s ASN 151 N -4.00 6.29 -0.20 2.29 0.01 -0.06 -3.41 114.94 115.87 1uer s ASN 151 Ca 0.42 0.34 -0.29 0.00 -0.71 0.00 0.00 52.86 52.62 1uer s ASN 151 Cb -0.05 -2.21 -0.00 0.00 0.41 0.00 0.00 41.25 39.40 1uer s ASN 151 CO 0.26 -0.15 1.13 -2.16 -1.51 0.00 0.00 177.10 174.67 1uer s PRO 152 N 1.87 4.25 -0.22 -0.60 0.04 -1.26 -1.64 135.00 137.44 1uer s PRO 152 Ca 0.16 1.49 -0.09 0.00 0.04 0.00 0.00 61.00 62.60 1uer s PRO 152 Cb -0.15 -3.69 -0.10 0.00 0.04 0.00 0.00 34.50 30.60 1uer s PRO 152 CO 0.09 -0.65 -0.27 1.28 0.04 0.00 0.00 177.00 177.49 1uer n LEU 153 N 6.39 1.81 -3.70 -3.56 4.77 -0.16 -4.98 117.00 117.57 1uer n LEU 153 Ca 0.13 0.21 -0.15 0.00 -0.03 0.00 0.00 56.01 56.17 1uer n LEU 153 Cb 0.46 -0.67 -0.15 0.00 -2.33 0.00 0.00 43.42 40.73 1uer n LEU 153 CO 0.54 0.53 -0.21 -0.22 -1.33 0.00 0.00 177.39 176.70 1uer s LEU 154 N -7.04 0.25 -0.03 2.23 2.96 -1.07 -4.77 118.68 111.20 1uer s LEU 154 Ca -0.31 0.37 0.02 0.00 -0.22 0.00 0.00 54.13 53.99 1uer s LEU 154 Cb 0.11 0.40 0.01 0.00 0.50 0.00 0.00 46.19 47.21 1uer s LEU 154 CO 0.41 -0.20 -0.07 -0.83 -1.32 0.00 0.00 176.35 174.34 1uer s GLY 155 N 1.77 0.46 -0.14 7.98 0.00 -1.26 -0.53 107.32 115.60 1uer s GLY 155 Ca -0.03 -0.19 -0.03 0.00 0.00 0.00 0.00 44.72 44.47 1uer s GLY 155 CO -0.06 0.14 -0.06 -1.36 0.00 0.00 0.00 173.10 171.75 1uer s PHE 156 N 0.48 2.97 -0.23 1.90 0.08 -0.15 -4.74 117.98 118.30 1uer s PHE 156 Ca -0.07 -0.34 -0.25 0.00 0.12 0.00 0.00 56.93 56.39 1uer s PHE 156 Cb -0.11 -1.91 -0.01 0.00 -0.57 0.00 0.00 43.02 40.42 1uer s PHE 156 CO 0.00 -0.04 0.83 0.34 -0.10 0.00 0.00 175.22 176.25 1uer s ASP 157 N 0.26 6.86 -0.01 1.36 -1.08 -1.26 -1.32 116.67 121.47 1uer s ASP 157 Ca -0.04 1.06 0.11 0.00 -0.52 0.00 0.00 52.55 53.16 1uer s ASP 157 Cb -0.14 -2.44 0.32 0.00 -1.46 0.00 0.00 42.92 39.19 1uer s ASP 157 CO 0.03 -0.49 1.26 1.33 0.52 0.00 0.00 175.17 177.83 1uer n VAL 158 N 5.13 1.09 -1.80 1.11 0.24 0.16 -4.83 118.33 119.43 1uer n VAL 158 Ca 0.05 -1.06 -0.41 0.00 -2.04 0.00 0.00 64.34 60.88 1uer n VAL 158 Cb 0.48 0.45 -0.00 0.00 -1.47 0.00 0.00 33.84 33.30 1uer n VAL 158 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 1uer s TRP 159 N -1.13 2.58 0.52 6.34 0.52 -1.16 -4.46 118.94 122.15 1uer s TRP 159 Ca 0.24 1.17 0.19 0.00 0.02 0.00 0.00 56.10 57.73 1uer s TRP 159 Cb 0.13 -4.02 1.30 0.00 -1.15 0.00 0.00 33.47 29.74 1uer s TRP 159 CO 0.15 -2.99 2.09 0.93 0.02 0.00 0.00 176.95 177.15 1uer h GLU 160 N 2.95 0.01 0.00 4.98 5.08 -1.92 -1.05 114.58 124.63 1uer h GLU 160 Ca -0.51 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 1uer h GLU 160 Cb 1.24 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1uer h GLU 160 CO 0.64 0.01 0.00 1.12 -1.00 0.00 0.00 179.01 179.78 1uer h HIS 161 N 0.01 0.00 0.00 4.33 2.07 -1.98 0.17 115.15 119.75 1uer h HIS 161 Ca 0.09 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.58 1uer h HIS 161 Cb 0.35 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.32 1uer h HIS 161 CO -0.00 0.00 -0.14 0.00 -3.07 0.00 0.00 177.93 174.72 1uer h ALA 162 N 2.01 1.01 0.00 6.11 0.00 -1.51 -3.38 119.26 123.49 1uer h ALA 162 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1uer h ALA 162 Cb 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1uer h ALA 162 CO 0.00 0.18 0.00 2.48 0.00 0.00 0.00 179.25 181.91 1uer n TYR 163 N -3.27 0.00 0.00 0.00 0.18 -0.81 -4.94 117.16 108.32 1uer n TYR 163 Ca 0.01 0.00 -0.01 0.00 1.88 0.00 0.00 57.90 59.78 1uer n TYR 163 Cb 0.40 0.00 0.28 0.00 -0.38 0.00 0.00 39.34 39.64 1uer n TYR 163 CO 0.00 0.00 0.00 -0.92 -2.08 0.00 0.00 176.86 173.86 1uer h TYR 164 N 0.00 0.54 -0.44 -3.48 3.20 -0.88 0.66 116.97 116.57 1uer h TYR 164 Ca 0.00 -0.06 -0.04 0.00 3.14 0.00 0.00 58.73 61.77 1uer h TYR 164 Cb 0.28 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.37 1uer h TYR 164 CO 0.00 0.56 0.10 -0.07 -1.64 0.00 0.00 178.16 177.12 1uer h LEU 165 N 0.49 0.60 0.02 2.82 3.38 -1.86 -0.23 115.31 120.53 1uer h LEU 165 Ca 0.10 -0.09 -0.38 0.00 0.09 0.00 0.00 57.88 57.60 1uer h LEU 165 Cb 0.39 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.92 1uer h LEU 165 CO 0.02 0.60 -2.35 0.41 0.09 0.00 0.00 178.44 177.21 1uer n THR 166 N -4.31 1.52 0.53 0.22 -1.04 -1.11 -4.68 114.28 105.42 1uer n THR 166 Ca 0.03 -0.65 0.05 0.00 -2.04 0.00 0.00 64.05 61.44 1uer n THR 166 Cb 0.20 -1.26 -0.06 0.00 -1.82 0.00 0.00 70.33 67.39 1uer n THR 166 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1uer n TYR 167 N -3.18 0.00 0.00 -1.42 4.02 0.21 -5.08 117.16 111.71 1uer n TYR 167 Ca -0.40 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.49 1uer n TYR 167 Cb 1.03 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.35 1uer n TYR 167 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 1uer n GLN 168 N -1.27 0.00 0.00 -0.72 3.00 -0.10 -1.50 117.38 116.79 1uer n GLN 168 Ca 0.02 0.00 0.11 0.00 -0.01 0.00 0.00 57.00 57.12 1uer n GLN 168 Cb 0.18 0.00 0.57 0.00 0.00 0.00 0.00 30.24 30.99 1uer n GLN 168 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 1uer n ASN 169 N 3.26 0.00 -3.38 1.08 2.04 -1.26 -4.44 115.26 112.56 1uer n ASN 169 Ca 0.00 -0.24 -0.40 0.00 -0.44 0.00 0.00 54.58 53.51 1uer n ASN 169 Cb 0.00 -0.19 -0.02 0.00 -2.53 0.00 0.00 39.78 37.03 1uer n ASN 169 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 1uer n ARG 170 N -1.19 3.65 -0.28 -3.83 1.74 -0.57 -4.68 116.66 111.50 1uer n ARG 170 Ca 0.12 -2.36 -0.04 0.00 -0.77 0.00 0.00 57.85 54.80 1uer n ARG 170 Cb 0.14 -2.86 0.07 0.00 -1.02 0.00 0.00 32.46 28.79 1uer n ARG 170 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 1uer h ARG 171 N 5.12 1.02 -0.75 5.56 2.43 -1.85 -2.74 114.38 123.17 1uer h ARG 171 Ca 0.82 -0.06 0.02 0.00 -0.81 0.00 0.00 59.98 59.95 1uer h ARG 171 Cb 0.33 -0.23 -0.04 0.00 -0.42 0.00 0.00 29.97 29.61 1uer h ARG 171 CO 1.78 0.67 0.49 0.00 -1.51 0.00 0.00 179.97 181.40 1uer h ALA 172 N 1.29 0.96 -0.64 2.80 0.00 -1.96 -1.50 119.26 120.21 1uer h ALA 172 Ca 0.29 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1uer h ALA 172 Cb -0.11 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.37 1uer h ALA 172 CO -0.07 0.32 0.32 -0.44 0.00 0.00 0.00 179.25 179.38 1uer h ASP 173 N 0.98 0.80 -0.11 0.00 3.32 -1.90 -1.07 116.42 118.43 1uer h ASP 173 Ca 0.28 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.25 1uer h ASP 173 Cb -0.07 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.28 1uer h ASP 173 CO -0.08 0.67 0.03 -0.74 -1.72 0.00 0.00 179.24 177.40 1uer h HIS 174 N 0.89 0.19 -0.92 4.55 -0.00 -1.11 -1.73 115.15 117.02 1uer h HIS 174 Ca 0.22 -0.02 0.01 0.00 -0.00 0.00 0.00 60.37 60.58 1uer h HIS 174 Cb 0.07 -0.05 -0.05 0.00 -0.00 0.00 0.00 27.41 27.38 1uer h HIS 174 CO 0.01 0.35 0.61 -0.07 -0.00 0.00 0.00 177.93 178.83 1uer h LEU 175 N -0.02 1.06 -0.83 0.26 3.38 -0.93 -0.89 115.31 117.35 1uer h LEU 175 Ca 0.04 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.86 1uer h LEU 175 Cb 0.25 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1uer h LEU 175 CO 0.00 0.77 -0.47 0.07 0.09 0.00 0.00 178.44 178.91 1uer h LYS 176 N 1.25 0.27 0.00 1.13 2.10 -1.04 -2.83 116.57 117.46 1uer h LYS 176 Ca 0.34 -0.15 -0.09 0.00 -2.00 0.00 0.00 60.65 58.75 1uer h LYS 176 Cb -0.14 0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.18 1uer h LYS 176 CO -0.07 0.69 -0.44 -0.44 -2.00 0.00 0.00 179.45 177.18 1uer h ASP 177 N 0.22 0.00 -0.02 7.07 3.32 -0.33 -3.16 116.42 123.52 1uer h ASP 177 Ca 0.01 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.07 1uer h ASP 177 Cb 0.91 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.46 1uer h ASP 177 CO 0.07 0.44 0.01 -0.07 -1.72 0.00 0.00 179.24 177.98 1uer h LEU 178 N 0.00 0.00 -1.99 1.55 3.38 -0.94 -1.94 115.31 115.36 1uer h LEU 178 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1uer h LEU 178 Cb 0.96 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.71 1uer h LEU 178 CO 0.06 0.00 -0.00 -0.50 0.09 0.00 0.00 178.44 178.08 1uer h TRP 179 N 0.00 0.00 0.00 1.13 4.06 -1.66 -1.65 115.95 117.82 1uer h TRP 179 Ca 0.01 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.96 1uer h TRP 179 Cb 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.20 1uer h TRP 179 CO 0.00 0.00 0.00 -1.13 -3.56 0.00 0.00 178.44 173.75 1uer n SER 180 N -4.53 0.46 -0.25 -3.49 3.41 -0.73 -2.77 113.62 105.72 1uer n SER 180 Ca -0.03 0.61 0.02 0.00 -0.26 0.00 0.00 58.87 59.21 1uer n SER 180 Cb 0.09 -0.71 0.05 0.00 -0.26 0.00 0.00 64.21 63.39 1uer n SER 180 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1uer n ILE 181 N -2.00 0.65 -2.36 -1.33 -5.35 -0.63 -3.78 119.36 104.55 1uer n ILE 181 Ca 0.03 -0.82 -0.42 0.00 -0.27 0.00 0.00 62.75 61.27 1uer n ILE 181 Cb 0.23 0.71 -0.03 0.00 -1.74 0.00 0.00 39.64 38.81 1uer n ILE 181 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1uer s VAL 182 N -0.79 3.83 -0.57 7.28 1.01 -1.12 -0.60 120.40 129.45 1uer s VAL 182 Ca 0.09 1.33 -0.17 0.00 0.00 0.00 0.00 61.98 63.22 1uer s VAL 182 Cb 0.05 -3.85 0.12 0.00 0.00 0.00 0.00 36.38 32.69 1uer s VAL 182 CO 0.07 0.11 0.60 -0.62 0.00 0.00 0.00 175.10 175.26 1uer s ASP 183 N 1.00 6.19 0.55 3.32 -1.08 -0.16 -0.47 116.67 126.01 1uer s ASP 183 Ca 0.60 -1.63 0.31 0.00 -0.52 0.00 0.00 52.55 51.31 1uer s ASP 183 Cb -0.31 -2.26 1.55 0.00 -1.46 0.00 0.00 42.92 40.44 1uer s ASP 183 CO 0.30 -0.98 2.08 -0.50 0.52 0.00 0.00 175.17 176.59 1uer h TRP 184 N 9.03 0.00 -0.44 -5.34 4.06 -1.86 -1.97 115.95 119.43 1uer h TRP 184 Ca -0.29 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.65 1uer h TRP 184 Cb 1.09 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.23 1uer h TRP 184 CO 0.78 0.08 0.24 -0.44 -3.56 0.00 0.00 178.44 175.55 1uer h ASP 185 N 0.00 0.55 -0.33 -3.49 3.45 -1.96 0.28 116.42 114.92 1uer h ASP 185 Ca -0.00 -0.09 -0.04 0.00 0.43 0.00 0.00 57.03 57.33 1uer h ASP 185 Cb 0.36 -0.14 -0.01 0.00 -0.56 0.00 0.00 39.33 38.98 1uer h ASP 185 CO 0.01 0.48 0.04 0.40 -1.57 0.00 0.00 179.24 178.59 1uer h ILE 186 N 0.57 1.24 -0.54 0.35 2.04 -1.74 -2.10 117.51 117.33 1uer h ILE 186 Ca 0.15 -0.87 -0.08 0.00 1.00 0.00 0.00 64.86 65.06 1uer h ILE 186 Cb 0.05 1.17 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 1uer h ILE 186 CO -0.03 0.29 0.02 0.58 0.00 0.00 0.00 178.15 179.01 1uer h VAL 187 N 0.38 1.26 -0.75 1.67 2.07 -1.19 -2.66 116.25 117.03 1uer h VAL 187 Ca 0.10 -1.08 0.04 0.00 0.82 0.00 0.00 66.70 66.58 1uer h VAL 187 Cb 0.38 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 30.99 1uer h VAL 187 CO 0.01 0.38 0.49 -0.33 0.02 0.00 0.00 177.57 178.15 1uer h GLU 188 N 0.82 0.87 0.00 1.57 5.08 -0.39 -0.74 114.58 121.80 1uer h GLU 188 Ca 0.16 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1uer h GLU 188 Cb 0.51 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 1uer h GLU 188 CO 0.02 0.57 -0.04 0.66 -1.00 0.00 0.00 179.01 179.23 1uer h SER 189 N 0.89 0.00 1.33 1.42 4.64 -1.02 -2.08 113.55 118.73 1uer h SER 189 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 1uer h SER 189 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1uer h SER 189 CO -0.09 0.04 -0.32 0.03 -0.87 0.00 0.00 176.83 175.61 1uer h ARG 190 N 0.00 0.00 -0.01 4.77 3.08 -1.03 -3.51 114.38 117.68 1uer h ARG 190 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1uer h ARG 190 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.24 1uer h ARG 190 CO 0.00 0.00 0.00 0.98 -1.07 0.00 0.00 179.97 179.88