#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nqc n PRO 2 N 0.00 0.99 0.20 3.23 -0.04 -1.26 -4.88 135.00 133.24 1nqc n PRO 2 Ca 0.00 0.40 0.09 0.00 -0.04 0.00 0.00 63.50 63.95 1nqc n PRO 2 Cb 0.00 -2.48 0.20 0.00 -0.04 0.00 0.00 33.50 31.17 1nqc n PRO 2 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1nqc h ASP 3 N 0.37 0.00 -4.37 3.54 3.32 -2.03 -3.45 116.42 113.80 1nqc h ASP 3 Ca -0.50 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.38 1nqc h ASP 3 Cb 1.34 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 40.65 1nqc h ASP 3 CO 0.52 0.17 -0.49 -0.94 -1.72 0.00 0.00 179.24 176.78 1nqc s SER 4 N -6.24 -0.09 -0.00 6.45 1.04 -1.26 -4.40 113.70 109.20 1nqc s SER 4 Ca 0.05 0.10 -0.02 0.00 0.48 0.00 0.00 55.95 56.56 1nqc s SER 4 Cb 0.07 0.29 -0.01 0.00 0.10 0.00 0.00 66.02 66.47 1nqc s SER 4 CO 0.68 -0.21 0.03 0.68 0.98 0.00 0.00 173.24 175.39 1nqc s VAL 5 N -0.62 0.05 -0.32 5.02 -7.23 -0.29 -4.96 120.40 112.05 1nqc s VAL 5 Ca -0.07 -0.44 0.03 0.00 -1.81 0.00 0.00 61.98 59.69 1nqc s VAL 5 Cb -0.04 -0.19 0.16 0.00 0.56 0.00 0.00 36.38 36.86 1nqc s VAL 5 CO 0.01 -0.24 0.42 -0.62 -0.31 0.00 0.00 175.10 174.36 1nqc s ASP 6 N -0.73 0.38 0.23 4.85 -1.08 -1.26 -1.17 116.67 117.88 1nqc s ASP 6 Ca -0.08 -0.66 0.17 0.00 -0.52 0.00 0.00 52.55 51.46 1nqc s ASP 6 Cb -0.05 1.07 0.88 0.00 -1.46 0.00 0.00 42.92 43.37 1nqc s ASP 6 CO -0.00 -0.32 1.53 0.79 0.52 0.00 0.00 175.17 177.69 1nqc n TRP 7 N 5.05 0.57 0.12 -5.34 7.02 0.02 -1.52 117.44 123.36 1nqc n TRP 7 Ca 0.04 0.28 0.00 0.00 -1.02 0.00 0.00 57.50 56.80 1nqc n TRP 7 Cb 0.49 -0.95 0.30 0.00 -2.42 0.00 0.00 31.31 28.74 1nqc n TRP 7 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1nqc h ARG 8 N 0.00 0.19 0.00 -0.99 3.08 -1.94 -2.39 114.38 112.33 1nqc h ARG 8 Ca 0.00 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1nqc h ARG 8 Cb 0.08 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.12 1nqc h ARG 8 CO 0.00 0.49 0.00 0.39 -1.07 0.00 0.00 179.97 179.78 1nqc n GLU 9 N -4.12 0.15 -0.23 0.04 1.02 -0.58 -2.15 120.64 114.77 1nqc n GLU 9 Ca -0.01 0.34 0.10 0.00 -0.02 0.00 0.00 57.16 57.57 1nqc n GLU 9 Cb 0.40 -1.77 0.22 0.00 -0.02 0.00 0.00 31.44 30.27 1nqc n GLU 9 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1nqc n LYS 10 N -2.05 2.51 -1.99 3.49 5.02 -0.92 -4.96 118.16 119.25 1nqc n LYS 10 Ca 0.03 -2.27 -0.11 0.00 -2.02 0.00 0.00 58.31 53.94 1nqc n LYS 10 Cb 0.25 -1.45 -0.01 0.00 -0.02 0.00 0.00 35.03 33.79 1nqc n LYS 10 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1nqc n GLY 11 N 1.26 0.23 1.10 0.72 0.00 -0.92 -4.94 105.19 102.65 1nqc n GLY 11 Ca 0.18 -0.47 0.10 0.00 0.00 0.00 0.00 46.02 45.84 1nqc n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nqc s VAL 13 N -1.11 1.30 0.84 0.00 1.01 -1.26 -3.69 120.40 117.49 1nqc s VAL 13 Ca 0.39 -0.55 -0.12 0.00 0.00 0.00 0.00 61.98 61.70 1nqc s VAL 13 Cb 0.21 -1.19 0.13 0.00 0.00 0.00 0.00 36.38 35.53 1nqc s VAL 13 CO 0.28 0.40 1.19 0.42 0.00 0.00 0.00 175.10 177.39 1nqc s THR 14 N 0.80 2.06 0.66 3.92 -4.23 -1.26 -4.98 115.64 112.61 1nqc s THR 14 Ca -0.12 -0.11 -0.17 0.00 -1.18 0.00 0.00 61.69 60.12 1nqc s THR 14 Cb -0.16 -2.96 -0.03 0.00 1.34 0.00 0.00 72.50 70.70 1nqc s THR 14 CO 0.02 0.00 0.94 -0.62 -0.54 0.00 0.00 174.62 174.42 1nqc n GLU 15 N -3.38 0.71 -2.17 3.99 1.02 -1.26 -4.91 120.64 114.64 1nqc n GLU 15 Ca 0.12 0.29 -0.41 0.00 -0.02 0.00 0.00 57.16 57.13 1nqc n GLU 15 Cb 0.60 -2.17 -0.03 0.00 -0.02 0.00 0.00 31.44 29.82 1nqc n GLU 15 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1nqc s VAL 16 N -1.64 3.08 0.34 2.62 1.01 -1.26 -5.02 120.40 119.53 1nqc s VAL 16 Ca 0.75 0.90 0.07 0.00 0.00 0.00 0.00 61.98 63.70 1nqc s VAL 16 Cb -0.38 -3.57 -0.01 0.00 0.00 0.00 0.00 36.38 32.41 1nqc s VAL 16 CO 0.48 0.14 0.47 -0.54 0.00 0.00 0.00 175.10 175.65 1nqc s LYS 17 N -0.23 3.07 -0.22 2.72 -0.14 -1.26 -4.65 119.74 119.03 1nqc s LYS 17 Ca 0.57 -1.05 0.01 0.00 -1.36 0.00 0.00 55.97 54.13 1nqc s LYS 17 Cb -0.38 -2.79 0.05 0.00 -1.68 0.00 0.00 37.83 33.04 1nqc s LYS 17 CO 0.40 0.03 -0.07 -0.47 -0.76 0.00 0.00 175.35 174.48 1nqc s TYR 18 N -2.20 2.39 -0.16 3.18 5.04 -1.26 -0.89 117.35 123.45 1nqc s TYR 18 Ca 0.46 -1.69 0.24 0.00 -2.44 0.00 0.00 57.07 53.64 1nqc s TYR 18 Cb -0.09 -1.59 0.62 0.00 0.35 0.00 0.00 41.96 41.25 1nqc s TYR 18 CO 0.31 -0.76 1.70 -0.56 -1.34 0.00 0.00 175.55 174.90 1nqc h GLN 19 N 7.96 0.00 0.00 4.97 3.07 -1.53 -3.47 115.11 126.11 1nqc h GLN 19 Ca -0.21 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.53 1nqc h GLN 19 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.64 1nqc h GLN 19 CO 0.43 0.14 0.00 0.41 0.09 0.00 0.00 178.83 179.90 1nqc n GLY 20 N 0.71 0.94 0.35 0.06 0.00 -1.26 -3.20 105.19 102.78 1nqc n GLY 20 Ca 0.02 -0.78 0.03 0.00 0.00 0.00 0.00 46.02 45.29 1nqc n GLY 20 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1nqc n SER 21 N 1.27 1.00 -4.75 1.61 3.41 -1.26 -4.83 113.62 110.07 1nqc n SER 21 Ca 0.00 -2.01 -0.35 0.00 -0.26 0.00 0.00 58.87 56.24 1nqc n SER 21 Cb 0.00 -0.14 -0.08 0.00 -0.26 0.00 0.00 64.21 63.73 1nqc n SER 21 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nqc n GLY 23 N 3.03 4.68 1.70 0.00 0.00 0.29 -4.55 105.19 110.33 1nqc n GLY 23 Ca -0.17 -1.76 0.08 0.00 0.00 0.00 0.00 46.02 44.17 1nqc n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nqc n ALA 24 N 2.99 3.45 -0.33 4.61 0.00 -1.26 -3.07 120.51 126.90 1nqc n ALA 24 Ca 0.69 -1.67 0.17 0.00 0.00 0.00 0.00 53.44 52.62 1nqc n ALA 24 Cb 0.25 -1.08 0.37 0.00 0.00 0.00 0.00 19.45 19.00 1nqc n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nqc h TRP 26 N 0.44 1.10 -0.40 0.00 5.08 -1.81 0.09 115.95 120.44 1nqc h TRP 26 Ca 0.63 -0.07 -0.11 0.00 1.08 0.00 0.00 58.89 60.41 1nqc h TRP 26 Cb 1.25 -0.33 -0.01 0.00 -3.00 0.00 0.00 29.16 27.07 1nqc h TRP 26 CO -0.07 0.83 -0.18 0.00 -1.28 0.00 0.00 178.44 177.74 1nqc h ALA 27 N 1.26 0.56 -0.50 0.11 0.00 -1.27 -2.00 119.26 117.43 1nqc h ALA 27 Ca 0.25 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 1nqc h ALA 27 Cb 0.19 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1nqc h ALA 27 CO -0.02 0.51 -0.10 0.74 0.00 0.00 0.00 179.25 180.38 1nqc h PHE 28 N 0.65 1.00 -0.49 0.00 0.04 -1.02 -1.51 116.94 115.61 1nqc h PHE 28 Ca 0.09 -0.19 -0.03 0.00 2.80 0.00 0.00 57.97 60.64 1nqc h PHE 28 Cb 0.74 -0.25 -0.02 0.00 2.20 0.00 0.00 35.95 38.61 1nqc h PHE 28 CO 0.06 0.95 0.19 1.03 -0.60 0.00 0.00 178.31 179.93 1nqc h SER 29 N 0.81 0.68 -0.09 2.17 0.87 -0.91 -1.13 113.55 115.95 1nqc h SER 29 Ca 0.13 -0.18 -0.01 0.00 -1.23 0.00 0.00 61.79 60.51 1nqc h SER 29 Cb 0.62 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 62.40 1nqc h SER 29 CO 0.04 0.67 0.03 0.00 -0.53 0.00 0.00 176.83 177.04 1nqc h ALA 30 N 1.04 0.12 -0.11 6.23 0.00 -1.17 -1.82 119.26 123.55 1nqc h ALA 30 Ca 0.16 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1nqc h ALA 30 Cb 0.21 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1nqc h ALA 30 CO -0.01 -0.26 -0.31 -0.39 0.00 0.00 0.00 179.25 178.29 1nqc h VAL 31 N -0.05 1.26 -0.60 0.00 -1.51 -1.25 -2.09 116.25 112.01 1nqc h VAL 31 Ca 0.03 -1.23 -0.01 0.00 -1.23 0.00 0.00 66.70 64.27 1nqc h VAL 31 Cb 0.23 1.52 -0.03 0.00 -2.13 0.00 0.00 31.29 30.88 1nqc h VAL 31 CO -0.00 0.37 0.36 1.23 -1.23 0.00 0.00 177.57 178.30 1nqc h GLY 32 N 1.04 0.88 1.01 5.19 0.00 -1.00 0.41 103.07 110.60 1nqc h GLY 32 Ca 0.03 -0.37 -0.05 0.00 0.00 0.00 0.00 47.33 46.93 1nqc h GLY 32 CO 0.05 0.36 0.16 0.00 0.00 0.00 0.00 176.54 177.11 1nqc h ALA 33 N 1.18 0.78 -0.04 3.60 0.00 -0.88 -2.96 119.26 120.94 1nqc h ALA 33 Ca 0.22 -0.22 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 1nqc h ALA 33 Cb -0.01 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1nqc h ALA 33 CO -0.04 0.47 -0.74 1.25 0.00 0.00 0.00 179.25 180.19 1nqc h LEU 34 N 0.85 0.28 -1.03 0.00 5.85 -1.01 -3.05 115.31 117.19 1nqc h LEU 34 Ca 0.19 -0.19 0.07 0.00 0.84 0.00 0.00 57.88 58.78 1nqc h LEU 34 Cb 0.33 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.21 1nqc h LEU 34 CO -0.00 0.92 0.64 -0.33 -0.34 0.00 0.00 178.44 179.33 1nqc h GLU 35 N 0.15 1.12 -0.40 1.25 5.08 -0.08 0.76 114.58 122.45 1nqc h GLU 35 Ca -0.03 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.19 1nqc h GLU 35 Cb 1.31 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 1nqc h GLU 35 CO 0.11 0.74 -0.03 0.00 -1.00 0.00 0.00 179.01 178.84 1nqc h ALA 36 N 1.47 0.55 -0.49 3.43 0.00 -1.42 -1.81 119.26 120.98 1nqc h ALA 36 Ca 0.43 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 1nqc h ALA 36 Cb 0.18 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1nqc h ALA 36 CO -0.17 0.36 0.11 1.96 0.00 0.00 0.00 179.25 181.50 1nqc h GLN 37 N 0.55 0.75 -0.63 0.00 1.08 -1.32 -0.85 115.11 114.69 1nqc h GLN 37 Ca 0.11 -0.15 -0.03 0.00 -1.45 0.00 0.00 58.65 57.13 1nqc h GLN 37 Cb 0.52 -0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 27.81 1nqc h GLN 37 CO 0.03 0.69 0.28 1.25 -0.95 0.00 0.00 178.83 180.12 1nqc h LEU 38 N 0.72 0.84 -0.52 1.46 5.85 -0.57 0.19 115.31 123.28 1nqc h LEU 38 Ca 0.16 -0.15 -0.07 0.00 0.84 0.00 0.00 57.88 58.66 1nqc h LEU 38 Cb 0.29 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 1nqc h LEU 38 CO -0.00 0.76 0.07 0.50 -0.34 0.00 0.00 178.44 179.43 1nqc h LYS 39 N 0.87 0.87 -0.35 1.25 1.63 -0.85 0.55 116.57 120.55 1nqc h LYS 39 Ca 0.21 -0.24 -0.07 0.00 -0.85 0.00 0.00 60.65 59.70 1nqc h LYS 39 Cb 0.16 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 31.67 1nqc h LYS 39 CO -0.02 0.87 -0.08 -0.07 -3.45 0.00 0.00 179.45 176.69 1nqc h LEU 40 N 0.75 0.57 0.02 5.20 3.38 -0.79 0.44 115.31 124.88 1nqc h LEU 40 Ca 0.16 -0.14 -0.28 0.00 0.09 0.00 0.00 57.88 57.70 1nqc h LEU 40 Cb 0.43 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 1nqc h LEU 40 CO 0.01 0.70 -1.59 0.50 0.09 0.00 0.00 178.44 178.15 1nqc h LYS 41 N 0.55 0.03 -0.00 1.13 3.64 -0.79 -3.40 116.57 117.73 1nqc h LYS 41 Ca 0.10 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1nqc h LYS 41 Cb 0.48 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 1nqc h LYS 41 CO 0.03 0.66 -0.17 0.25 -2.27 0.00 0.00 179.45 177.95 1nqc n THR 42 N -3.15 0.00 -0.98 1.00 -2.24 0.17 -5.01 114.28 104.07 1nqc n THR 42 Ca -0.15 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.22 1nqc n THR 42 Cb 1.03 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 70.28 1nqc n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nqc n GLY 43 N 0.96 0.77 3.24 3.38 0.00 0.14 -5.02 105.19 108.67 1nqc n GLY 43 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 1nqc n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nqc s LYS 44 N -0.08 2.61 -0.30 1.61 1.02 -1.26 -5.00 119.74 118.35 1nqc s LYS 44 Ca 0.00 -0.86 -0.14 0.00 0.02 0.00 0.00 55.97 54.99 1nqc s LYS 44 Cb 0.00 -2.13 -0.03 0.00 -0.52 0.00 0.00 37.83 35.14 1nqc s LYS 44 CO 0.00 0.30 0.32 -1.17 -0.92 0.00 0.00 175.35 173.88 1nqc s LEU 45 N 0.02 4.17 -0.03 3.17 2.96 -1.26 -3.52 118.68 124.18 1nqc s LEU 45 Ca -0.08 0.03 0.02 0.00 -0.22 0.00 0.00 54.13 53.87 1nqc s LEU 45 Cb -0.15 -2.31 0.01 0.00 0.50 0.00 0.00 46.19 44.24 1nqc s LEU 45 CO 0.05 -0.20 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.13 1nqc s VAL 46 N 1.96 0.60 0.17 1.68 1.01 -1.26 -5.10 120.40 119.47 1nqc s VAL 46 Ca 0.12 -0.24 -0.30 0.00 0.00 0.00 0.00 61.98 61.56 1nqc s VAL 46 Cb -0.16 -0.56 -0.07 0.00 0.00 0.00 0.00 36.38 35.58 1nqc s VAL 46 CO 0.11 0.21 0.98 0.42 0.00 0.00 0.00 175.10 176.82 1nqc s THR 47 N 0.40 4.20 0.24 3.92 -4.23 -1.26 -4.82 115.64 114.08 1nqc s THR 47 Ca -0.05 1.97 0.05 0.00 -1.18 0.00 0.00 61.69 62.48 1nqc s THR 47 Cb -0.09 -4.26 -0.03 0.00 1.34 0.00 0.00 72.50 69.46 1nqc s THR 47 CO 0.00 0.38 0.34 -0.76 -0.54 0.00 0.00 174.62 174.04 1nqc s LEU 48 N -0.54 4.27 -0.59 4.79 1.43 -1.26 -0.99 118.68 125.78 1nqc s LEU 48 Ca 0.45 0.04 -0.27 0.00 -1.03 0.00 0.00 54.13 53.32 1nqc s LEU 48 Cb -0.26 -2.81 -0.00 0.00 0.03 0.00 0.00 46.19 43.15 1nqc s LEU 48 CO 0.32 -0.06 1.61 -0.55 0.23 0.00 0.00 176.35 177.90 1nqc s SER 49 N -3.93 5.75 0.29 2.29 0.15 -0.11 -4.20 113.70 113.93 1nqc s SER 49 Ca 0.34 0.26 0.05 0.00 0.70 0.00 0.00 55.95 57.31 1nqc s SER 49 Cb -0.09 -2.54 0.43 0.00 -1.71 0.00 0.00 66.02 62.11 1nqc s SER 49 CO 0.29 -2.02 1.69 0.00 1.20 0.00 0.00 173.24 174.40 1nqc h ALA 50 N 12.69 1.09 -0.63 5.45 0.00 -1.86 -2.65 119.26 133.35 1nqc h ALA 50 Ca -0.27 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.20 1nqc h ALA 50 Cb 1.12 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 1nqc h ALA 50 CO 1.20 0.59 0.27 0.37 0.00 0.00 0.00 179.25 181.68 1nqc h GLN 51 N 0.25 0.91 -0.94 0.00 5.75 -1.85 -0.62 115.11 118.61 1nqc h GLN 51 Ca 0.03 -0.13 0.08 0.00 -0.15 0.00 0.00 58.65 58.47 1nqc h GLN 51 Cb 0.80 -0.16 -0.07 0.00 1.07 0.00 0.00 27.48 29.12 1nqc h GLN 51 CO 0.06 0.73 0.59 -0.97 -2.65 0.00 0.00 178.83 176.59 1nqc h ASN 52 N 0.90 0.92 -0.19 -0.69 -0.00 -1.72 0.20 115.58 115.00 1nqc h ASN 52 Ca 0.22 0.02 -0.10 0.00 -0.00 0.00 0.00 56.30 56.43 1nqc h ASN 52 Cb 0.14 -0.17 -0.00 0.00 -0.00 0.00 0.00 38.32 38.29 1nqc h ASN 52 CO -0.02 0.57 -0.29 -0.07 -0.00 0.00 0.00 177.43 177.61 1nqc h LEU 53 N 1.04 0.58 -0.67 0.34 3.38 -1.23 -0.80 115.31 117.95 1nqc h LEU 53 Ca 0.42 -0.52 0.01 0.00 0.09 0.00 0.00 57.88 57.88 1nqc h LEU 53 Cb 0.24 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1nqc h LEU 53 CO -0.19 0.99 0.44 0.58 0.09 0.00 0.00 178.44 180.34 1nqc h VAL 54 N 0.18 1.16 0.02 1.22 2.07 -0.39 -0.48 116.25 120.03 1nqc h VAL 54 Ca 0.02 -0.31 -0.22 0.00 0.82 0.00 0.00 66.70 67.01 1nqc h VAL 54 Cb 0.87 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 1nqc h VAL 54 CO 0.07 0.16 -1.07 0.44 0.02 0.00 0.00 177.57 177.18 1nqc h ASP 55 N 0.89 0.06 0.00 0.57 3.32 -0.64 -3.40 116.42 117.23 1nqc h ASP 55 Ca 0.25 -0.07 -0.21 0.00 0.02 0.00 0.00 57.03 57.02 1nqc h ASP 55 Cb -0.09 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.40 1nqc h ASP 55 CO -0.06 1.06 -1.79 0.00 -1.72 0.00 0.00 179.24 176.73 1nqc s SER 57 N -4.52 7.02 0.00 0.00 0.15 -0.20 -4.91 113.70 111.23 1nqc s SER 57 Ca -0.07 -2.90 0.00 0.00 0.70 0.00 0.00 55.95 53.68 1nqc s SER 57 Cb 0.04 -2.37 0.00 0.00 -1.71 0.00 0.00 66.02 61.98 1nqc s SER 57 CO 0.45 -0.74 0.00 0.35 1.20 0.00 0.00 173.24 174.51 1nqc n THR 58 N 4.51 0.00 -0.33 6.45 -2.24 -1.26 -4.51 114.28 116.90 1nqc n THR 58 Ca 0.32 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 62.20 1nqc n THR 58 Cb 0.44 0.00 0.22 0.00 -2.10 0.00 0.00 70.33 68.89 1nqc n THR 58 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1nqc h GLU 59 N 0.00 0.02 -0.08 -0.78 4.57 -1.91 0.44 114.58 116.84 1nqc h GLU 59 Ca 0.00 -0.00 0.02 0.00 -1.18 0.00 0.00 59.36 58.20 1nqc h GLU 59 Cb 0.00 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.58 1nqc h GLU 59 CO 0.00 0.02 0.13 -0.22 -1.18 0.00 0.00 179.01 177.76 1nqc h LYS 60 N 0.02 0.00 -0.42 1.92 1.63 -1.93 -1.02 116.57 116.77 1nqc h LYS 60 Ca 0.53 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.33 1nqc h LYS 60 Cb 0.98 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.61 1nqc h LYS 60 CO -0.90 0.00 0.00 0.66 -3.45 0.00 0.00 179.45 175.76 1nqc n TYR 61 N -3.52 0.65 -0.99 1.91 4.02 0.15 -4.95 117.16 114.42 1nqc n TYR 61 Ca -0.01 -0.54 0.00 0.00 -0.01 0.00 0.00 57.90 57.34 1nqc n TYR 61 Cb 0.22 -0.06 0.00 0.00 -0.02 0.00 0.00 39.34 39.48 1nqc n TYR 61 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1nqc n GLY 62 N 0.63 0.33 3.90 2.72 0.00 -0.39 -4.78 105.19 107.60 1nqc n GLY 62 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 1nqc n GLY 62 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1nqc s ASN 63 N -2.02 6.48 -0.21 1.61 0.01 -0.96 -4.82 114.94 115.03 1nqc s ASN 63 Ca 0.00 0.58 0.11 0.00 -0.71 0.00 0.00 52.86 52.84 1nqc s ASN 63 Cb 0.00 -2.09 0.43 0.00 0.41 0.00 0.00 41.25 40.00 1nqc s ASN 63 CO 0.00 0.02 1.21 0.29 -1.51 0.00 0.00 177.10 177.11 1nqc n LYS 64 N -0.07 1.87 0.00 -0.60 5.02 0.17 -3.44 118.16 121.11 1nqc n LYS 64 Ca -0.02 -3.39 0.00 0.00 -2.02 0.00 0.00 58.31 52.87 1nqc n LYS 64 Cb 0.52 -1.64 0.00 0.00 -0.02 0.00 0.00 35.03 33.89 1nqc n LYS 64 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1nqc n GLY 65 N -0.94 3.46 0.00 0.72 0.00 -1.22 -0.88 105.19 106.33 1nqc n GLY 65 Ca 0.23 0.10 0.04 0.00 0.00 0.00 0.00 46.02 46.38 1nqc n GLY 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nqc n ASN 67 N -1.37 4.46 0.00 0.00 3.02 -0.06 -0.55 115.26 120.76 1nqc n ASN 67 Ca 0.03 -2.49 0.00 0.00 -0.03 0.00 0.00 54.58 52.09 1nqc n ASN 67 Cb 0.08 -0.53 0.00 0.00 -0.61 0.00 0.00 39.78 38.71 1nqc n ASN 67 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1nqc n GLY 68 N 0.80 3.05 0.89 7.41 0.00 -0.69 -4.81 105.19 111.84 1nqc n GLY 68 Ca 0.23 -1.93 -0.00 0.00 0.00 0.00 0.00 46.02 44.32 1nqc n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nqc n GLY 69 N -0.36 0.90 3.24 -0.02 0.00 -1.26 0.42 105.19 108.10 1nqc n GLY 69 Ca 0.00 -0.94 -0.27 0.00 0.00 0.00 0.00 46.02 44.81 1nqc n GLY 69 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nqc s PHE 70 N -4.20 1.90 0.17 1.61 0.08 -1.26 -4.78 117.98 111.50 1nqc s PHE 70 Ca 0.06 -0.36 -0.08 0.00 0.12 0.00 0.00 56.93 56.66 1nqc s PHE 70 Cb -0.00 -1.20 0.05 0.00 -0.57 0.00 0.00 43.02 41.30 1nqc s PHE 70 CO 0.01 -0.00 1.55 0.52 -0.10 0.00 0.00 175.22 177.20 1nqc h MET 71 N 5.44 0.91 -0.60 0.44 2.86 -1.99 -2.41 114.93 119.58 1nqc h MET 71 Ca -0.40 -0.41 -0.01 0.00 -2.06 0.00 0.00 59.70 56.82 1nqc h MET 71 Cb 1.14 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.75 1nqc h MET 71 CO 0.47 1.06 0.34 1.79 1.06 0.00 0.00 176.91 181.63 1nqc h THR 72 N 0.77 1.19 0.00 2.22 1.35 -1.96 -1.16 112.91 115.32 1nqc h THR 72 Ca 0.09 -0.47 -0.02 0.00 -0.55 0.00 0.00 66.41 65.46 1nqc h THR 72 Cb 0.84 0.41 -0.00 0.00 -1.73 0.00 0.00 68.15 67.66 1nqc h THR 72 CO 0.07 0.21 -0.07 0.71 -0.25 0.00 0.00 175.52 176.18 1nqc h THR 73 N 0.82 0.16 -0.27 6.82 1.35 -1.85 -1.61 112.91 118.32 1nqc h THR 73 Ca 0.21 -0.88 -0.08 0.00 -0.55 0.00 0.00 66.41 65.11 1nqc h THR 73 Cb 0.03 1.77 -0.01 0.00 -1.73 0.00 0.00 68.15 68.21 1nqc h THR 73 CO -0.04 0.07 -0.13 0.00 -0.25 0.00 0.00 175.52 175.17 1nqc h ALA 74 N 1.93 0.38 -0.68 6.62 0.00 -0.85 -1.22 119.26 125.43 1nqc h ALA 74 Ca -0.00 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 1nqc h ALA 74 Cb 0.76 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 1nqc h ALA 74 CO 0.01 0.26 0.28 0.74 0.00 0.00 0.00 179.25 180.54 1nqc h PHE 75 N 0.30 1.00 -0.72 0.00 0.04 -0.76 -2.03 116.94 114.78 1nqc h PHE 75 Ca 0.06 -0.06 -0.05 0.00 2.80 0.00 0.00 57.97 60.72 1nqc h PHE 75 Cb 0.65 -0.31 -0.03 0.00 2.20 0.00 0.00 35.95 38.46 1nqc h PHE 75 CO 0.06 0.76 0.25 0.37 -0.60 0.00 0.00 178.31 179.15 1nqc h GLN 76 N 0.98 1.11 -0.47 1.51 5.75 -1.09 -1.23 115.11 121.67 1nqc h GLN 76 Ca 0.23 -0.22 0.02 0.00 -0.15 0.00 0.00 58.65 58.53 1nqc h GLN 76 Cb 0.17 -0.17 -0.03 0.00 1.07 0.00 0.00 27.48 28.52 1nqc h GLN 76 CO -0.02 0.93 0.28 -0.92 -2.65 0.00 0.00 178.83 176.45 1nqc h TYR 77 N 1.05 0.52 -0.61 3.99 3.20 -0.68 0.20 116.97 124.64 1nqc h TYR 77 Ca 0.24 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.11 1nqc h TYR 77 Cb 0.27 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.35 1nqc h TYR 77 CO 0.02 0.30 0.34 0.82 -1.64 0.00 0.00 178.16 178.00 1nqc h ILE 78 N 0.55 1.18 0.28 1.81 2.04 -0.92 0.33 117.51 122.78 1nqc h ILE 78 Ca 0.19 -0.45 -0.01 0.00 1.00 0.00 0.00 64.86 65.59 1nqc h ILE 78 Cb 0.02 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 36.45 1nqc h ILE 78 CO -0.09 0.20 -0.14 0.40 0.00 0.00 0.00 178.15 178.52 1nqc h ILE 79 N 0.85 0.73 -0.91 -0.67 2.04 -0.43 -1.65 117.51 117.46 1nqc h ILE 79 Ca 0.22 -0.63 0.05 0.00 1.00 0.00 0.00 64.86 65.50 1nqc h ILE 79 Cb 0.01 1.05 -0.06 0.00 -0.74 0.00 0.00 36.82 37.08 1nqc h ILE 79 CO -0.04 0.12 0.59 0.44 0.00 0.00 0.00 178.15 179.26 1nqc h ASP 80 N -0.74 0.96 1.41 1.72 3.32 -0.30 -2.47 116.42 120.32 1nqc h ASP 80 Ca -0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1nqc h ASP 80 Cb 0.49 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.84 1nqc h ASP 80 CO 0.06 0.64 0.00 -1.13 -1.72 0.00 0.00 179.24 177.10 1nqc h ASN 81 N 1.11 0.00 -1.30 6.45 -1.24 -0.38 -3.47 115.58 116.74 1nqc h ASN 81 Ca 0.38 0.00 -0.22 0.00 0.71 0.00 0.00 56.30 57.17 1nqc h ASN 81 Cb 0.07 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.08 1nqc h ASN 81 CO -0.14 0.00 -0.26 0.29 -1.29 0.00 0.00 177.43 176.03 1nqc n LYS 82 N -2.61 -0.85 0.00 6.67 5.02 -0.69 -4.94 118.16 120.76 1nqc n LYS 82 Ca 0.04 0.62 0.00 0.00 -2.02 0.00 0.00 58.31 56.95 1nqc n LYS 82 Cb 0.40 -4.70 0.00 0.00 -0.02 0.00 0.00 35.03 30.71 1nqc n LYS 82 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1nqc n GLY 83 N -1.17 2.77 2.93 0.72 0.00 -0.77 -4.87 105.19 104.80 1nqc n GLY 83 Ca -0.13 -1.19 -0.11 0.00 0.00 0.00 0.00 46.02 44.59 1nqc n GLY 83 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1nqc s ILE 84 N -2.00 0.03 0.66 -0.61 2.07 -0.90 -4.72 121.20 115.73 1nqc s ILE 84 Ca 0.00 -0.21 -0.11 0.00 -1.41 0.00 0.00 60.65 58.92 1nqc s ILE 84 Cb 0.00 -0.12 -0.00 0.00 0.13 0.00 0.00 42.46 42.47 1nqc s ILE 84 CO 0.00 -0.12 1.05 -1.81 -1.91 0.00 0.00 174.94 172.15 1nqc s ASP 85 N -0.35 5.73 0.68 4.50 1.01 -1.26 -1.08 116.67 125.91 1nqc s ASP 85 Ca -0.04 1.18 -0.14 0.00 0.71 0.00 0.00 52.55 54.26 1nqc s ASP 85 Cb -0.03 -2.09 0.01 0.00 1.01 0.00 0.00 42.92 41.83 1nqc s ASP 85 CO -0.00 -1.15 1.10 -0.94 0.21 0.00 0.00 175.17 174.39 1nqc s SER 86 N -4.29 5.04 0.20 0.27 1.04 -1.05 -0.93 113.70 113.97 1nqc s SER 86 Ca 0.56 1.93 -0.07 0.00 0.48 0.00 0.00 55.95 58.86 1nqc s SER 86 Cb -0.11 -2.54 0.12 0.00 0.10 0.00 0.00 66.02 63.59 1nqc s SER 86 CO 0.52 -1.68 1.63 -0.78 0.98 0.00 0.00 173.24 173.91 1nqc h ASP 87 N -0.21 0.94 -0.78 7.02 3.58 -1.23 -2.14 116.42 123.59 1nqc h ASP 87 Ca -0.46 -0.30 0.08 0.00 0.42 0.00 0.00 57.03 56.77 1nqc h ASP 87 Cb 1.24 -0.25 -0.07 0.00 1.72 0.00 0.00 39.33 41.97 1nqc h ASP 87 CO 0.54 1.06 0.44 0.00 -2.88 0.00 0.00 179.24 178.40 1nqc h ALA 88 N 1.02 1.09 0.00 -0.78 0.00 -1.92 -1.24 119.26 117.44 1nqc h ALA 88 Ca 0.13 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1nqc h ALA 88 Cb 0.65 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1nqc h ALA 88 CO 0.05 0.08 -0.28 0.66 0.00 0.00 0.00 179.25 179.76 1nqc h SER 89 N 0.76 0.00 -2.19 0.00 4.64 -1.90 -3.38 113.55 111.48 1nqc h SER 89 Ca 0.37 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 61.11 1nqc h SER 89 Cb 0.31 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 62.01 1nqc h SER 89 CO -0.23 0.18 -1.01 0.00 -0.87 0.00 0.00 176.83 174.90 1nqc n TYR 90 N -3.10 -0.19 -1.65 4.77 4.19 -0.82 -5.01 117.16 115.35 1nqc n TYR 90 Ca 0.03 -3.53 -0.37 0.00 3.31 0.00 0.00 57.90 57.33 1nqc n TYR 90 Cb 0.61 -0.14 0.06 0.00 0.49 0.00 0.00 39.34 40.35 1nqc n TYR 90 CO 0.00 0.00 0.00 -2.30 0.91 0.00 0.00 176.86 175.47 1nqc n PRO 91 N 1.93 0.93 -2.77 2.98 -0.02 -0.52 -4.53 135.00 132.99 1nqc n PRO 91 Ca 0.25 0.37 -0.42 0.00 -2.02 0.00 0.00 63.50 61.68 1nqc n PRO 91 Cb 0.50 -2.29 -0.03 0.00 -0.02 0.00 0.00 33.50 31.66 1nqc n PRO 91 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1nqc s TYR 92 N -1.49 3.57 -0.50 6.00 5.04 -1.26 -4.74 117.35 123.97 1nqc s TYR 92 Ca 0.79 1.55 0.04 0.00 -2.44 0.00 0.00 57.07 57.00 1nqc s TYR 92 Cb -0.40 -3.09 0.03 0.00 0.35 0.00 0.00 41.96 38.86 1nqc s TYR 92 CO 0.44 -0.10 0.64 1.63 -1.34 0.00 0.00 175.55 176.83 1nqc n LYS 93 N 4.43 -0.34 -3.60 4.97 4.76 -1.26 -5.00 118.16 122.12 1nqc n LYS 93 Ca 0.06 -0.77 -0.26 0.00 -2.87 0.00 0.00 58.31 54.46 1nqc n LYS 93 Cb 0.50 -1.08 0.04 0.00 -1.84 0.00 0.00 35.03 32.65 1nqc n LYS 93 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1nqc n ALA 94 N 0.22 -1.20 -2.97 7.82 0.00 -1.26 -4.96 120.51 118.15 1nqc n ALA 94 Ca 0.02 0.25 -0.11 0.00 0.00 0.00 0.00 53.44 53.60 1nqc n ALA 94 Cb 0.11 -4.41 -0.07 0.00 0.00 0.00 0.00 19.45 15.08 1nqc n ALA 94 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1nqc s MET 95 N -6.30 0.84 -0.10 0.00 1.00 -1.26 -4.56 119.30 108.92 1nqc s MET 95 Ca 0.55 -0.56 -0.28 0.00 0.00 0.00 0.00 55.69 55.40 1nqc s MET 95 Cb -0.26 0.36 -0.02 0.00 0.00 0.00 0.00 34.83 34.91 1nqc s MET 95 CO 0.68 -0.28 0.91 -0.51 0.00 0.00 0.00 175.02 175.82 1nqc s ASP 96 N -2.19 7.16 0.38 3.03 1.01 -1.26 -4.90 116.67 119.89 1nqc s ASP 96 Ca -0.03 1.42 0.03 0.00 0.71 0.00 0.00 52.55 54.68 1nqc s ASP 96 Cb -0.00 -2.51 -0.04 0.00 1.01 0.00 0.00 42.92 41.38 1nqc s ASP 96 CO -0.05 -0.35 0.09 -1.10 0.21 0.00 0.00 175.17 173.98 1nqc s GLN 97 N 1.68 1.82 0.54 8.23 -0.21 -1.26 -5.09 119.66 125.36 1nqc s GLN 97 Ca 0.45 -2.07 -0.18 0.00 0.02 0.00 0.00 55.36 53.58 1nqc s GLN 97 Cb -0.18 -0.75 -0.06 0.00 1.00 0.00 0.00 33.01 33.02 1nqc s GLN 97 CO 0.18 -0.35 1.06 0.15 -2.12 0.00 0.00 175.29 174.21 1nqc s LYS 98 N -3.80 3.53 0.13 2.91 1.02 -1.26 -4.61 119.74 117.65 1nqc s LYS 98 Ca 0.28 1.32 -0.31 0.00 0.02 0.00 0.00 55.97 57.28 1nqc s LYS 98 Cb 0.05 -2.06 -0.09 0.00 -0.52 0.00 0.00 37.83 35.21 1nqc s LYS 98 CO 0.14 -0.65 1.57 0.00 -0.92 0.00 0.00 175.35 175.49 1nqc n GLN 100 N 4.46 0.76 -1.76 0.00 -0.06 -1.26 -5.06 117.38 114.46 1nqc n GLN 100 Ca 0.14 -2.60 -0.40 0.00 -2.00 0.00 0.00 57.00 52.14 1nqc n GLN 100 Cb 0.40 -0.69 0.01 0.00 -4.06 0.00 0.00 30.24 25.89 1nqc n GLN 100 CO 0.00 0.00 0.00 0.98 -0.20 0.00 0.00 177.06 177.84 1nqc n TYR 101 N -0.09 2.80 -3.59 3.69 9.36 -1.26 -5.00 117.16 123.07 1nqc n TYR 101 Ca 0.11 0.44 -0.20 0.00 3.32 0.00 0.00 57.90 61.58 1nqc n TYR 101 Cb 0.99 -2.49 -0.15 0.00 -0.63 0.00 0.00 39.34 37.06 1nqc n TYR 101 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1nqc s ASP 102 N -0.33 1.37 0.59 2.98 -1.08 -1.26 -5.02 116.67 113.91 1nqc s ASP 102 Ca 0.58 -0.10 0.32 0.00 -0.52 0.00 0.00 52.55 52.83 1nqc s ASP 102 Cb -0.46 0.19 1.74 0.00 -1.46 0.00 0.00 42.92 42.92 1nqc s ASP 102 CO 0.60 -0.30 1.97 0.77 0.52 0.00 0.00 175.17 178.73 1nqc h SER 103 N 8.36 0.00 0.11 -0.34 4.64 -1.99 -0.33 113.55 124.00 1nqc h SER 103 Ca -0.15 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.16 1nqc h SER 103 Cb 1.14 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1nqc h SER 103 CO 0.23 0.00 -0.04 0.11 -0.87 0.00 0.00 176.83 176.26 1nqc h LYS 104 N 0.00 0.00 -0.32 4.77 1.57 -2.02 -2.20 116.57 118.37 1nqc h LYS 104 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1nqc h LYS 104 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1nqc h LYS 104 CO 0.00 0.04 0.00 0.66 -0.57 0.00 0.00 179.45 179.58 1nqc n TYR 105 N -3.78 0.75 -1.67 -1.35 4.01 -0.14 -5.02 117.16 109.96 1nqc n TYR 105 Ca -0.03 -0.68 -0.46 0.00 -0.16 0.00 0.00 57.90 56.57 1nqc n TYR 105 Cb 0.13 -0.17 -0.04 0.00 -0.31 0.00 0.00 39.34 38.95 1nqc n TYR 105 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 1nqc n ARG 106 N 0.08 2.20 -0.00 -0.72 0.63 -0.83 -2.52 116.66 115.50 1nqc n ARG 106 Ca 0.17 0.80 0.02 0.00 -0.92 0.00 0.00 57.85 57.92 1nqc n ARG 106 Cb 0.67 -2.58 -0.03 0.00 0.45 0.00 0.00 32.46 30.97 1nqc n ARG 106 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1nqc n ALA 107 N 3.99 2.58 -3.61 5.13 0.00 -0.24 -4.84 120.51 123.52 1nqc n ALA 107 Ca 0.18 -0.13 -0.08 0.00 0.00 0.00 0.00 53.44 53.40 1nqc n ALA 107 Cb 0.29 -0.17 -0.02 0.00 0.00 0.00 0.00 19.45 19.55 1nqc n ALA 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nqc s ALA 108 N -1.54 -1.58 0.26 0.00 0.00 -1.18 -4.99 121.76 112.73 1nqc s ALA 108 Ca 0.01 0.37 0.01 0.00 0.00 0.00 0.00 51.96 52.35 1nqc s ALA 108 Cb 0.04 0.71 -0.05 0.00 0.00 0.00 0.00 23.12 23.81 1nqc s ALA 108 CO 0.20 -0.87 0.10 0.95 0.00 0.00 0.00 175.76 176.14 1nqc s THR 109 N -3.53 0.56 -0.03 0.00 -4.23 -1.26 -2.11 115.64 105.04 1nqc s THR 109 Ca 0.07 -2.00 -0.00 0.00 -1.18 0.00 0.00 61.69 58.57 1nqc s THR 109 Cb -0.02 -2.64 0.03 0.00 1.34 0.00 0.00 72.50 71.21 1nqc s THR 109 CO -0.04 0.00 0.05 0.00 -0.54 0.00 0.00 174.62 174.09 1nqc n SER 111 N 4.22 0.06 -3.64 0.00 3.41 -0.18 -4.14 113.62 113.35 1nqc n SER 111 Ca -0.27 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.33 1nqc n SER 111 Cb 0.50 1.70 -0.00 0.00 -0.26 0.00 0.00 64.21 66.15 1nqc n SER 111 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1nqc s LYS 112 N -3.20 0.87 0.04 4.33 -2.85 -1.19 -5.04 119.74 112.70 1nqc s LYS 112 Ca -0.08 -0.50 -0.08 0.00 -1.00 0.00 0.00 55.97 54.31 1nqc s LYS 112 Cb 0.12 0.28 -0.00 0.00 -2.06 0.00 0.00 37.83 36.16 1nqc s LYS 112 CO 0.88 -0.40 0.15 1.52 0.10 0.00 0.00 175.35 177.59 1nqc s TYR 113 N -2.69 0.14 -0.07 1.78 1.13 -1.26 -1.28 117.35 115.10 1nqc s TYR 113 Ca 0.16 -0.43 0.05 0.00 -1.41 0.00 0.00 57.07 55.45 1nqc s TYR 113 Cb 0.01 -0.09 -0.01 0.00 -1.10 0.00 0.00 41.96 40.77 1nqc s TYR 113 CO 0.00 -0.42 -0.24 0.99 -2.51 0.00 0.00 175.55 173.38 1nqc s THR 114 N -2.78 1.97 -0.19 -3.49 2.01 0.40 -4.96 115.64 108.60 1nqc s THR 114 Ca -0.03 -1.00 -0.06 0.00 0.31 0.00 0.00 61.69 60.90 1nqc s THR 114 Cb -0.00 -1.67 -0.03 0.00 0.01 0.00 0.00 72.50 70.80 1nqc s THR 114 CO -0.05 0.55 0.04 -1.61 -0.69 0.00 0.00 174.62 172.85 1nqc s GLU 115 N -0.01 3.83 0.53 4.92 2.02 -1.26 -1.16 118.70 127.57 1nqc s GLU 115 Ca -0.07 -0.42 -0.08 0.00 0.02 0.00 0.00 54.97 54.42 1nqc s GLU 115 Cb -0.14 -3.17 -0.04 0.00 0.10 0.00 0.00 34.13 30.88 1nqc s GLU 115 CO 0.05 0.16 0.88 -0.51 0.02 0.00 0.00 175.26 175.86 1nqc s LEU 116 N 0.65 3.48 0.31 1.80 1.43 0.02 -5.00 118.68 121.37 1nqc s LEU 116 Ca 0.02 1.13 -0.29 0.00 -1.03 0.00 0.00 54.13 53.96 1nqc s LEU 116 Cb -0.13 -4.12 -0.10 0.00 0.03 0.00 0.00 46.19 41.87 1nqc s LEU 116 CO 0.02 -0.68 1.35 -2.84 0.23 0.00 0.00 176.35 174.42 1nqc s PRO 117 N -4.87 4.32 -0.10 1.29 0.02 -1.26 -4.54 135.00 129.86 1nqc s PRO 117 Ca 0.50 2.25 -0.38 0.00 0.02 0.00 0.00 61.00 63.40 1nqc s PRO 117 Cb -0.11 -3.08 -0.15 0.00 0.02 0.00 0.00 34.50 31.18 1nqc s PRO 117 CO 0.48 -0.27 1.60 0.98 -0.33 0.00 0.00 177.00 179.46 1nqc n TYR 118 N 1.23 1.91 -0.85 6.54 9.36 -1.26 -2.51 117.16 131.57 1nqc n TYR 118 Ca 0.02 0.50 0.00 0.00 3.32 0.00 0.00 57.90 61.73 1nqc n TYR 118 Cb 0.41 -2.44 0.00 0.00 -0.63 0.00 0.00 39.34 36.68 1nqc n TYR 118 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1nqc n GLY 119 N 3.57 0.32 3.47 2.98 0.00 0.55 -4.96 105.19 111.12 1nqc n GLY 119 Ca 0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.82 1nqc n GLY 119 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nqc s ARG 120 N -0.85 3.28 0.38 1.61 1.81 -1.04 -4.80 118.95 119.33 1nqc s ARG 120 Ca 0.00 -1.04 0.17 0.00 -1.72 0.00 0.00 55.73 53.14 1nqc s ARG 120 Cb 0.00 -4.49 0.75 0.00 -0.45 0.00 0.00 34.95 30.76 1nqc s ARG 120 CO 0.00 -1.86 1.78 0.93 -0.68 0.00 0.00 175.30 175.47 1nqc h GLU 121 N 9.44 0.00 -0.47 3.54 5.08 -1.90 -1.97 114.58 128.31 1nqc h GLU 121 Ca -0.14 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.09 1nqc h GLU 121 Cb 1.05 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 1nqc h GLU 121 CO 1.19 0.37 -0.24 0.38 -1.00 0.00 0.00 179.01 179.72 1nqc h ASP 122 N 0.00 1.02 -0.10 1.42 2.03 -2.00 -0.75 116.42 118.05 1nqc h ASP 122 Ca -0.00 -0.41 -0.14 0.00 -0.73 0.00 0.00 57.03 55.75 1nqc h ASP 122 Cb 0.79 -0.28 -0.01 0.00 -0.83 0.00 0.00 39.33 39.00 1nqc h ASP 122 CO 0.05 1.20 -0.43 0.58 -1.03 0.00 0.00 179.24 179.61 1nqc h VAL 123 N 0.84 1.30 -0.71 4.15 2.07 -1.91 -2.25 116.25 119.74 1nqc h VAL 123 Ca 0.10 -1.62 -0.04 0.00 0.82 0.00 0.00 66.70 65.97 1nqc h VAL 123 Cb 0.82 1.56 -0.03 0.00 -1.52 0.00 0.00 31.29 32.13 1nqc h VAL 123 CO 0.07 0.51 0.28 0.25 0.02 0.00 0.00 177.57 178.71 1nqc h LEU 124 N 0.52 0.97 -0.48 2.57 5.85 -1.22 -1.39 115.31 122.13 1nqc h LEU 124 Ca 0.04 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.58 1nqc h LEU 124 Cb 0.96 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.72 1nqc h LEU 124 CO 0.09 0.88 0.28 0.50 -0.34 0.00 0.00 178.44 179.85 1nqc h LYS 125 N 1.01 0.66 -0.52 1.25 3.64 -0.90 -0.65 116.57 121.06 1nqc h LYS 125 Ca 0.24 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.56 1nqc h LYS 125 Cb 0.21 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.87 1nqc h LYS 125 CO -0.02 0.49 0.34 0.93 -2.27 0.00 0.00 179.45 178.93 1nqc h GLU 126 N 0.64 0.68 -0.59 1.90 5.08 -1.07 -0.66 114.58 120.56 1nqc h GLU 126 Ca 0.17 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.44 1nqc h GLU 126 Cb 0.01 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 1nqc h GLU 126 CO -0.03 0.45 0.17 0.00 -1.00 0.00 0.00 179.01 178.60 1nqc h ALA 127 N 1.19 0.77 -0.48 3.43 0.00 -0.88 0.84 119.26 124.13 1nqc h ALA 127 Ca 0.19 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1nqc h ALA 127 Cb -0.08 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1nqc h ALA 127 CO -0.04 0.45 0.06 0.28 0.00 0.00 0.00 179.25 180.00 1nqc h VAL 128 N 0.84 1.22 -0.04 0.00 2.07 -0.84 0.21 116.25 119.72 1nqc h VAL 128 Ca 0.19 -0.87 -0.09 0.00 0.82 0.00 0.00 66.70 66.75 1nqc h VAL 128 Cb 0.31 0.79 0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1nqc h VAL 128 CO -0.00 0.31 -0.32 0.00 0.02 0.00 0.00 177.57 177.57 1nqc h ALA 129 N 1.35 0.09 0.00 1.67 0.00 -0.73 -3.28 119.26 118.36 1nqc h ALA 129 Ca 0.15 -0.46 -0.12 0.00 0.00 0.00 0.00 54.91 54.48 1nqc h ALA 129 Cb 0.35 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1nqc h ALA 129 CO 0.01 0.16 -1.44 0.09 0.00 0.00 0.00 179.25 178.07 1nqc n ASN 130 N -4.44 0.70 -0.07 0.00 5.03 0.25 -4.67 115.26 112.07 1nqc n ASN 130 Ca -0.09 0.30 -0.12 0.00 0.87 0.00 0.00 54.58 55.54 1nqc n ASN 130 Cb 0.52 0.50 -0.06 0.00 -1.02 0.00 0.00 39.78 39.71 1nqc n ASN 130 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1nqc n LYS 131 N -2.75 0.34 0.00 3.52 4.76 0.67 -5.06 118.16 119.64 1nqc n LYS 131 Ca -0.08 0.10 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 1nqc n LYS 131 Cb 0.76 -1.18 0.00 0.00 -1.84 0.00 0.00 35.03 32.76 1nqc n LYS 131 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1nqc n GLY 132 N 2.53 0.95 3.71 0.72 0.00 -0.77 -4.97 105.19 107.36 1nqc n GLY 132 Ca -0.27 -1.93 -0.41 0.00 0.00 0.00 0.00 46.02 43.41 1nqc n GLY 132 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1nqc n PRO 133 N 0.00 2.00 -5.09 1.61 -0.02 -1.26 -3.99 135.00 128.25 1nqc n PRO 133 Ca 0.00 0.71 -0.30 0.00 -2.02 0.00 0.00 63.50 61.90 1nqc n PRO 133 Cb 0.00 -2.44 -0.16 0.00 -0.02 0.00 0.00 33.50 30.88 1nqc n PRO 133 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1nqc s VAL 134 N -1.20 1.82 0.19 -1.45 1.01 -0.55 -4.82 120.40 115.42 1nqc s VAL 134 Ca 0.61 -0.92 -0.30 0.00 0.00 0.00 0.00 61.98 61.37 1nqc s VAL 134 Cb -0.50 -1.56 -0.08 0.00 0.00 0.00 0.00 36.38 34.25 1nqc s VAL 134 CO 0.58 0.51 1.03 -0.44 0.00 0.00 0.00 175.10 176.78 1nqc s SER 135 N 0.05 7.41 0.13 3.32 0.01 0.34 -0.65 113.70 124.31 1nqc s SER 135 Ca -0.08 2.02 -0.06 0.00 1.31 0.00 0.00 55.95 59.14 1nqc s SER 135 Cb -0.14 -2.61 -0.02 0.00 0.21 0.00 0.00 66.02 63.46 1nqc s SER 135 CO 0.04 -0.08 0.18 0.68 0.41 0.00 0.00 173.24 174.47 1nqc s VAL 136 N -0.56 0.10 -0.04 3.43 -7.23 -0.78 -0.67 120.40 114.65 1nqc s VAL 136 Ca 0.46 -1.52 0.02 0.00 -1.81 0.00 0.00 61.98 59.13 1nqc s VAL 136 Cb -0.28 -1.78 -0.03 0.00 0.56 0.00 0.00 36.38 34.86 1nqc s VAL 136 CO 0.34 -0.47 -0.08 -0.83 -0.31 0.00 0.00 175.10 173.75 1nqc s GLY 137 N -2.97 1.68 0.17 2.32 0.00 -1.26 -1.01 107.32 106.26 1nqc s GLY 137 Ca 0.16 -0.95 0.05 0.00 0.00 0.00 0.00 44.72 43.97 1nqc s GLY 137 CO -0.02 -0.76 -0.08 -1.34 0.00 0.00 0.00 173.10 170.90 1nqc s VAL 138 N -0.85 1.19 -0.64 1.40 -7.23 0.74 -4.04 120.40 110.98 1nqc s VAL 138 Ca 0.14 -2.07 -0.22 0.00 -1.81 0.00 0.00 61.98 58.02 1nqc s VAL 138 Cb -0.11 -1.99 0.07 0.00 0.56 0.00 0.00 36.38 34.92 1nqc s VAL 138 CO 0.03 -0.63 0.91 -0.62 -0.31 0.00 0.00 175.10 174.48 1nqc s ASP 139 N -3.22 6.18 -0.10 4.85 2.15 0.24 -0.99 116.67 125.79 1nqc s ASP 139 Ca 0.20 -1.04 0.16 0.00 0.43 0.00 0.00 52.55 52.30 1nqc s ASP 139 Cb 0.03 -2.39 0.57 0.00 -0.30 0.00 0.00 42.92 40.82 1nqc s ASP 139 CO 0.03 -1.36 1.48 0.00 -0.17 0.00 0.00 175.17 175.15 1nqc n ALA 140 N 7.41 2.83 -1.48 3.66 0.00 -1.26 -4.75 120.51 126.92 1nqc n ALA 140 Ca -0.05 -1.67 -0.33 0.00 0.00 0.00 0.00 53.44 51.40 1nqc n ALA 140 Cb 0.45 -0.78 -0.05 0.00 0.00 0.00 0.00 19.45 19.07 1nqc n ALA 140 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1nqc n ARG 141 N 0.55 3.51 -3.73 0.00 1.74 -1.26 -4.75 116.66 112.72 1nqc n ARG 141 Ca 0.21 -2.38 -0.12 0.00 -0.77 0.00 0.00 57.85 54.79 1nqc n ARG 141 Cb 0.77 -2.53 -0.13 0.00 -1.02 0.00 0.00 32.46 29.56 1nqc n ARG 141 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1nqc s HIS 142 N 0.51 -0.34 0.57 -1.55 3.76 -1.26 -5.05 115.29 111.93 1nqc s HIS 142 Ca 0.63 0.80 0.26 0.00 -0.15 0.00 0.00 55.06 56.60 1nqc s HIS 142 Cb 0.23 0.06 1.54 0.00 1.11 0.00 0.00 32.58 35.52 1nqc s HIS 142 CO -0.08 -0.23 2.07 -1.00 -0.85 0.00 0.00 174.74 174.65 1nqc h PRO 143 N 7.09 0.00 0.00 8.40 0.13 -2.02 -1.82 132.00 143.78 1nqc h PRO 143 Ca -0.39 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.72 1nqc h PRO 143 Cb 1.16 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 1nqc h PRO 143 CO 0.37 0.00 -0.05 0.66 -0.23 0.00 0.00 178.00 178.75 1nqc h SER 144 N 0.00 0.00 0.27 1.44 4.64 -1.96 -2.98 113.55 114.96 1nqc h SER 144 Ca 0.12 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.43 1nqc h SER 144 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1nqc h SER 144 CO -0.00 0.05 -0.13 0.15 -0.87 0.00 0.00 176.83 176.03 1nqc h PHE 145 N 0.00 -0.34 0.00 4.77 3.04 -1.64 -1.20 116.94 121.57 1nqc h PHE 145 Ca -0.00 -0.01 -0.07 0.00 3.98 0.00 0.00 57.97 61.88 1nqc h PHE 145 Cb 0.16 0.11 -0.01 0.00 2.56 0.00 0.00 35.95 38.78 1nqc h PHE 145 CO 0.00 -0.07 -0.31 0.35 -2.02 0.00 0.00 178.31 176.26 1nqc h PHE 146 N -0.58 0.00 -0.00 0.41 3.57 -1.72 -2.74 116.94 115.87 1nqc h PHE 146 Ca -0.04 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.46 1nqc h PHE 146 Cb 0.42 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.16 1nqc h PHE 146 CO -0.00 0.31 -0.05 1.28 -2.23 0.00 0.00 178.31 177.62 1nqc n LEU 147 N -3.73 0.45 -4.71 0.59 4.77 -1.10 -4.77 117.00 108.51 1nqc n LEU 147 Ca -0.01 -0.05 -0.43 0.00 -0.03 0.00 0.00 56.01 55.49 1nqc n LEU 147 Cb 0.41 -0.11 -0.02 0.00 -2.33 0.00 0.00 43.42 41.37 1nqc n LEU 147 CO 0.36 0.08 1.11 0.00 -1.33 0.00 0.00 177.39 177.61 1nqc n TYR 148 N -0.82 2.49 -0.03 -1.77 4.19 -0.47 -4.93 117.16 115.82 1nqc n TYR 148 Ca 0.18 0.36 -0.06 0.00 3.31 0.00 0.00 57.90 61.69 1nqc n TYR 148 Cb 0.24 -2.52 -0.02 0.00 0.49 0.00 0.00 39.34 37.53 1nqc n TYR 148 CO 0.00 0.00 0.00 -2.13 0.91 0.00 0.00 176.86 175.64 1nqc n ARG 149 N 1.97 0.13 -3.73 2.98 0.63 -1.26 -3.40 116.66 113.98 1nqc n ARG 149 Ca 0.10 0.05 -0.06 0.00 -0.92 0.00 0.00 57.85 57.02 1nqc n ARG 149 Cb 0.34 -0.83 -0.02 0.00 0.45 0.00 0.00 32.46 32.41 1nqc n ARG 149 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1nqc s SER 150 N -5.24 -0.25 0.00 6.15 1.04 -1.26 -3.54 113.70 110.60 1nqc s SER 150 Ca -0.08 -0.38 0.00 0.00 0.48 0.00 0.00 55.95 55.97 1nqc s SER 150 Cb 0.03 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.70 1nqc s SER 150 CO 0.11 -0.99 0.00 0.61 0.98 0.00 0.00 173.24 173.95 1nqc n GLY 151 N -0.44 -1.77 3.58 7.32 0.00 -1.26 -4.79 105.19 107.83 1nqc n GLY 151 Ca -0.07 -1.64 -0.39 0.00 0.00 0.00 0.00 46.02 43.92 1nqc n GLY 151 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nqc s VAL 152 N 0.00 5.21 -0.01 1.61 1.01 -1.26 -4.11 120.40 122.85 1nqc s VAL 152 Ca 0.00 0.26 -0.30 0.00 0.00 0.00 0.00 61.98 61.94 1nqc s VAL 152 Cb 0.00 -3.71 -0.05 0.00 0.00 0.00 0.00 36.38 32.63 1nqc s VAL 152 CO 0.00 0.08 1.26 -0.47 0.00 0.00 0.00 175.10 175.96 1nqc s TYR 153 N 1.97 3.17 -0.05 5.22 5.04 0.17 -4.85 117.35 128.02 1nqc s TYR 153 Ca 0.12 1.13 -0.02 0.00 -2.44 0.00 0.00 57.07 55.85 1nqc s TYR 153 Cb -0.16 -3.49 0.03 0.00 0.35 0.00 0.00 41.96 38.69 1nqc s TYR 153 CO 0.11 -1.62 0.09 -0.47 -1.34 0.00 0.00 175.55 172.32 1nqc s TYR 154 N 1.95 -0.01 -0.25 4.97 5.04 -1.26 -1.51 117.35 126.27 1nqc s TYR 154 Ca 0.59 0.36 0.03 0.00 -2.44 0.00 0.00 57.07 55.61 1nqc s TYR 154 Cb -0.28 -0.41 0.06 0.00 0.35 0.00 0.00 41.96 41.68 1nqc s TYR 154 CO 0.25 -0.21 -0.11 -2.00 -1.34 0.00 0.00 175.55 172.14 1nqc s GLU 155 N 2.17 2.22 0.57 4.97 2.56 -1.26 -4.99 118.70 124.94 1nqc s GLU 155 Ca 0.04 -1.30 0.38 0.00 0.00 0.00 0.00 54.97 54.09 1nqc s GLU 155 Cb -0.12 -2.85 2.01 0.00 2.00 0.00 0.00 34.13 35.17 1nqc s GLU 155 CO -0.04 -0.56 2.16 -1.00 -0.56 0.00 0.00 175.26 175.26 1nqc h PRO 156 N 7.79 0.00 -0.01 4.30 0.13 -2.05 -1.10 132.00 141.06 1nqc h PRO 156 Ca -0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 1nqc h PRO 156 Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1nqc h PRO 156 CO 0.46 0.00 -0.13 0.43 -0.23 0.00 0.00 178.00 178.53 1nqc n SER 157 N -2.86 0.73 -4.75 1.44 7.64 -1.26 -4.92 113.62 109.64 1nqc n SER 157 Ca -0.02 -0.80 -0.33 0.00 1.01 0.00 0.00 58.87 58.73 1nqc n SER 157 Cb 0.09 -0.00 0.08 0.00 -1.01 0.00 0.00 64.21 63.37 1nqc n SER 157 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1nqc s THR 159 N -2.34 0.20 -2.24 0.00 -4.23 -1.26 -4.80 115.64 100.97 1nqc s THR 159 Ca 0.68 -2.00 0.27 0.00 -1.18 0.00 0.00 61.69 59.46 1nqc s THR 159 Cb -0.23 -2.50 0.64 0.00 1.34 0.00 0.00 72.50 71.76 1nqc s THR 159 CO 0.46 0.00 1.86 0.00 -0.54 0.00 0.00 174.62 176.40 1nqc n GLN 160 N -0.56 1.38 -2.81 3.99 3.00 -1.26 -2.99 117.38 118.13 1nqc n GLN 160 Ca 0.03 -0.56 -0.43 0.00 -0.01 0.00 0.00 57.00 56.03 1nqc n GLN 160 Cb 0.64 -1.45 -0.04 0.00 0.00 0.00 0.00 30.24 29.40 1nqc n GLN 160 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.06 176.26 1nqc s ASN 161 N -1.87 6.22 0.41 1.08 0.01 -1.26 -4.52 114.94 115.01 1nqc s ASN 161 Ca 0.39 -0.73 -0.13 0.00 -0.71 0.00 0.00 52.86 51.68 1nqc s ASN 161 Cb 0.20 -2.44 -0.07 0.00 0.41 0.00 0.00 41.25 39.34 1nqc s ASN 161 CO 0.32 -1.44 0.81 0.68 -1.51 0.00 0.00 177.10 175.96 1nqc s VAL 162 N 4.27 4.70 0.00 1.60 -7.23 -1.26 -4.47 120.40 118.02 1nqc s VAL 162 Ca 0.26 0.83 0.00 0.00 -1.81 0.00 0.00 61.98 61.26 1nqc s VAL 162 Cb -0.14 -3.70 0.00 0.00 0.56 0.00 0.00 36.38 33.09 1nqc s VAL 162 CO 0.13 -0.48 0.00 -0.46 -0.31 0.00 0.00 175.10 173.98 1nqc n ASN 163 N -1.15 0.00 -3.90 4.85 0.23 -0.16 -4.89 115.26 110.24 1nqc n ASN 163 Ca 0.04 -0.96 -0.23 0.00 -0.53 0.00 0.00 54.58 52.89 1nqc n ASN 163 Cb 0.54 0.00 -0.17 0.00 -2.08 0.00 0.00 39.78 38.07 1nqc n ASN 163 CO 0.00 0.00 0.00 -2.28 -0.93 0.00 0.00 177.26 174.05 1nqc s HIS 164 N 0.00 1.09 -0.11 -2.53 5.04 -0.23 -4.94 115.29 113.61 1nqc s HIS 164 Ca 0.00 -0.42 -0.20 0.00 -1.54 0.00 0.00 55.06 52.90 1nqc s HIS 164 Cb 0.00 -0.94 -0.04 0.00 0.04 0.00 0.00 32.58 31.64 1nqc s HIS 164 CO 0.00 -0.33 0.57 0.20 -2.34 0.00 0.00 174.74 172.84 1nqc s GLY 165 N 1.31 2.43 0.09 1.59 0.00 -1.26 -0.18 107.32 111.29 1nqc s GLY 165 Ca -0.04 -0.10 0.02 0.00 0.00 0.00 0.00 44.72 44.61 1nqc s GLY 165 CO -0.03 0.97 0.08 3.33 0.00 0.00 0.00 173.10 177.45 1nqc n VAL 166 N 3.84 0.00 -4.10 1.40 0.24 -0.18 -4.43 118.33 115.10 1nqc n VAL 166 Ca -0.04 -0.66 -0.25 0.00 -2.04 0.00 0.00 64.34 61.35 1nqc n VAL 166 Cb 0.51 0.33 -0.17 0.00 -1.47 0.00 0.00 33.84 33.04 1nqc n VAL 166 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1nqc s LEU 167 N 0.00 1.26 -0.28 1.34 2.96 -0.99 -1.86 118.68 121.11 1nqc s LEU 167 Ca 0.11 -0.25 -0.23 0.00 -0.22 0.00 0.00 54.13 53.53 1nqc s LEU 167 Cb 0.01 -0.74 -0.00 0.00 0.50 0.00 0.00 46.19 45.95 1nqc s LEU 167 CO 0.08 -0.08 0.78 -0.69 -1.32 0.00 0.00 176.35 175.12 1nqc s VAL 168 N 1.35 4.83 -0.87 1.68 1.01 0.17 -0.41 120.40 128.17 1nqc s VAL 168 Ca -0.02 1.30 0.09 0.00 0.00 0.00 0.00 61.98 63.35 1nqc s VAL 168 Cb -0.14 -4.11 0.25 0.00 0.00 0.00 0.00 36.38 32.38 1nqc s VAL 168 CO -0.04 -0.16 1.17 1.33 0.00 0.00 0.00 175.10 177.41 1nqc n VAL 169 N 5.41 0.88 -2.66 2.92 0.24 0.15 -1.48 118.33 123.78 1nqc n VAL 169 Ca 0.04 -0.94 0.00 0.00 -2.04 0.00 0.00 64.34 61.40 1nqc n VAL 169 Cb 0.48 0.59 0.00 0.00 -1.47 0.00 0.00 33.84 33.44 1nqc n VAL 169 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1nqc n GLY 170 N 0.41 -1.50 3.56 7.63 0.00 -1.18 -0.80 105.19 113.32 1nqc n GLY 170 Ca 0.10 -1.06 -0.08 0.00 0.00 0.00 0.00 46.02 44.98 1nqc n GLY 170 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1nqc s TYR 171 N -2.75 -0.31 -0.81 1.61 -0.85 -0.32 -0.22 117.35 113.69 1nqc s TYR 171 Ca 0.00 0.12 0.00 0.00 -0.52 0.00 0.00 57.07 56.67 1nqc s TYR 171 Cb 0.00 0.57 0.00 0.00 0.38 0.00 0.00 41.96 42.91 1nqc s TYR 171 CO 0.00 -0.67 0.00 0.41 -1.52 0.00 0.00 175.55 173.77 1nqc n GLY 172 N -0.32 -0.72 3.23 5.49 0.00 -0.68 -1.14 105.19 111.05 1nqc n GLY 172 Ca -0.09 -0.41 -0.13 0.00 0.00 0.00 0.00 46.02 45.39 1nqc n GLY 172 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1nqc s ASP 173 N -4.00 -0.34 -0.42 1.61 -4.77 -1.26 -0.47 116.67 107.02 1nqc s ASP 173 Ca 0.00 0.64 -0.07 0.00 -3.30 0.00 0.00 52.55 49.81 1nqc s ASP 173 Cb 0.00 0.67 0.09 0.00 -1.09 0.00 0.00 42.92 42.59 1nqc s ASP 173 CO 0.00 -0.15 0.24 -0.22 0.70 0.00 0.00 175.17 175.74 1nqc s LEU 174 N 0.04 5.17 -1.49 2.11 2.96 0.02 -4.64 118.68 122.85 1nqc s LEU 174 Ca -0.01 -1.65 -0.03 0.00 -0.22 0.00 0.00 54.13 52.21 1nqc s LEU 174 Cb -0.03 -1.94 0.03 0.00 0.50 0.00 0.00 46.19 44.75 1nqc s LEU 174 CO 0.01 -0.54 0.40 0.59 -1.32 0.00 0.00 176.35 175.49 1nqc n ASN 175 N 4.83 -0.59 0.00 3.68 3.02 -1.26 -1.27 115.26 123.67 1nqc n ASN 175 Ca -0.08 -1.06 0.00 0.00 -0.03 0.00 0.00 54.58 53.41 1nqc n ASN 175 Cb 0.42 -2.73 0.00 0.00 -0.61 0.00 0.00 39.78 36.87 1nqc n ASN 175 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1nqc n GLY 176 N -1.99 2.14 3.45 7.41 0.00 -1.26 -5.02 105.19 109.92 1nqc n GLY 176 Ca -0.25 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.34 1nqc n GLY 176 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nqc s LYS 177 N -0.79 3.13 0.48 1.61 -0.14 -0.40 -5.03 119.74 118.60 1nqc s LYS 177 Ca 0.00 -0.87 -0.23 0.00 -1.36 0.00 0.00 55.97 53.51 1nqc s LYS 177 Cb 0.00 -4.10 -0.07 0.00 -1.68 0.00 0.00 37.83 31.99 1nqc s LYS 177 CO 0.00 -1.23 1.21 -1.21 -0.76 0.00 0.00 175.35 173.36 1nqc s GLU 178 N 2.67 3.60 0.19 1.68 2.02 -1.26 -0.80 118.70 126.79 1nqc s GLU 178 Ca 0.16 1.88 -0.11 0.00 0.02 0.00 0.00 54.97 56.92 1nqc s GLU 178 Cb -0.19 -2.36 -0.00 0.00 0.10 0.00 0.00 34.13 31.68 1nqc s GLU 178 CO 0.12 -0.72 0.36 1.52 0.02 0.00 0.00 175.26 176.57 1nqc s TYR 179 N -1.49 0.37 -0.12 1.61 -0.85 0.38 -1.28 117.35 115.96 1nqc s TYR 179 Ca 0.66 -0.72 -0.02 0.00 -0.52 0.00 0.00 57.07 56.47 1nqc s TYR 179 Cb -0.31 0.04 -0.03 0.00 0.38 0.00 0.00 41.96 42.04 1nqc s TYR 179 CO 0.38 -0.82 -0.04 -1.58 -1.52 0.00 0.00 175.55 171.97 1nqc s TRP 180 N -3.98 3.03 -0.38 -3.49 0.52 0.78 -1.69 118.94 113.73 1nqc s TRP 180 Ca 0.19 -0.10 -0.20 0.00 0.02 0.00 0.00 56.10 56.01 1nqc s TRP 180 Cb 0.02 -1.86 0.01 0.00 -1.15 0.00 0.00 33.47 30.49 1nqc s TRP 180 CO 0.03 0.18 0.63 -1.17 0.02 0.00 0.00 176.95 176.64 1nqc s LEU 181 N -0.23 4.33 -0.17 2.99 2.96 0.69 -1.52 118.68 127.74 1nqc s LEU 181 Ca 0.04 -0.01 -0.02 0.00 -0.22 0.00 0.00 54.13 53.92 1nqc s LEU 181 Cb -0.13 -2.76 -0.01 0.00 0.50 0.00 0.00 46.19 43.79 1nqc s LEU 181 CO 0.02 -0.65 -0.08 -0.69 -1.32 0.00 0.00 176.35 173.63 1nqc s VAL 182 N 2.74 3.29 -0.19 1.68 1.01 -0.21 -0.68 120.40 128.03 1nqc s VAL 182 Ca 0.24 -0.55 -0.22 0.00 0.00 0.00 0.00 61.98 61.45 1nqc s VAL 182 Cb -0.14 -2.44 -0.02 0.00 0.00 0.00 0.00 36.38 33.78 1nqc s VAL 182 CO 0.16 0.48 0.67 -0.75 0.00 0.00 0.00 175.10 175.67 1nqc s LYS 183 N 0.80 4.23 0.55 2.72 2.20 0.45 -1.09 119.74 129.61 1nqc s LYS 183 Ca -0.03 0.70 0.09 0.00 -0.36 0.00 0.00 55.97 56.37 1nqc s LYS 183 Cb -0.15 -3.57 0.06 0.00 -1.51 0.00 0.00 37.83 32.66 1nqc s LYS 183 CO 0.01 -0.25 0.67 1.21 -0.36 0.00 0.00 175.35 176.63 1nqc s ASN 184 N 1.18 5.04 -0.31 1.43 3.84 -0.89 -2.36 114.94 122.88 1nqc s ASN 184 Ca 0.31 -0.89 0.11 0.00 0.21 0.00 0.00 52.86 52.59 1nqc s ASN 184 Cb -0.16 0.20 0.46 0.00 -0.55 0.00 0.00 41.25 41.20 1nqc s ASN 184 CO 0.11 -1.20 1.15 -1.54 -2.79 0.00 0.00 177.10 172.82 1nqc n SER 185 N -2.07 3.94 -0.99 -4.21 3.41 -1.26 -4.50 113.62 107.94 1nqc n SER 185 Ca 0.11 -3.30 0.03 0.00 -0.26 0.00 0.00 58.87 55.44 1nqc n SER 185 Cb 0.62 -0.40 0.23 0.00 -0.26 0.00 0.00 64.21 64.40 1nqc n SER 185 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1nqc n TRP 186 N -0.61 1.01 0.00 7.33 8.01 -1.18 -1.32 117.44 130.68 1nqc n TRP 186 Ca 0.33 -1.21 0.00 0.00 -1.31 0.00 0.00 57.50 55.31 1nqc n TRP 186 Cb 0.88 -0.40 0.00 0.00 -2.01 0.00 0.00 31.31 29.78 1nqc n TRP 186 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1nqc n GLY 187 N -0.83 -1.18 0.27 6.99 0.00 -0.07 -4.17 105.19 106.20 1nqc n GLY 187 Ca 0.27 -1.61 0.14 0.00 0.00 0.00 0.00 46.02 44.82 1nqc n GLY 187 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1nqc h HIS 188 N 0.00 0.00 0.00 1.61 2.76 -1.84 -2.85 115.15 114.83 1nqc h HIS 188 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1nqc h HIS 188 Cb 0.00 0.00 0.00 0.00 1.55 0.00 0.00 27.41 28.96 1nqc h HIS 188 CO 0.00 0.10 0.00 0.09 -1.30 0.00 0.00 177.93 176.82 1nqc n ASN 189 N -3.53 0.50 -4.73 3.26 3.02 -1.26 -2.78 115.26 109.73 1nqc n ASN 189 Ca -0.02 0.55 -0.41 0.00 -0.03 0.00 0.00 54.58 54.67 1nqc n ASN 189 Cb 0.23 -0.68 -0.05 0.00 -0.61 0.00 0.00 39.78 38.68 1nqc n ASN 189 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1nqc s PHE 190 N -3.06 3.84 0.00 3.10 5.36 -1.08 -4.85 117.98 121.28 1nqc s PHE 190 Ca 0.12 1.81 0.00 0.00 -0.96 0.00 0.00 56.93 57.89 1nqc s PHE 190 Cb 0.15 -3.03 0.00 0.00 -0.34 0.00 0.00 43.02 39.79 1nqc s PHE 190 CO 0.57 0.25 0.00 0.41 -1.46 0.00 0.00 175.22 174.99 1nqc n GLY 191 N 2.14 2.80 3.44 13.12 0.00 -1.22 0.32 105.19 125.79 1nqc n GLY 191 Ca 0.01 -0.17 -0.44 0.00 0.00 0.00 0.00 46.02 45.42 1nqc n GLY 191 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nqc s GLU 192 N 0.00 4.00 -1.47 1.61 2.02 -0.23 -4.46 118.70 120.18 1nqc s GLU 192 Ca 0.00 -2.52 -0.11 0.00 0.02 0.00 0.00 54.97 52.37 1nqc s GLU 192 Cb 0.00 -4.96 0.06 0.00 0.10 0.00 0.00 34.13 29.33 1nqc s GLU 192 CO 0.00 -1.69 0.82 0.39 0.02 0.00 0.00 175.26 174.80 1nqc n GLU 193 N 5.39 -5.19 0.00 1.61 1.02 -1.24 -2.14 120.64 120.08 1nqc n GLU 193 Ca 0.32 0.66 0.00 0.00 -0.02 0.00 0.00 57.16 58.12 1nqc n GLU 193 Cb 0.44 -5.52 0.00 0.00 -0.02 0.00 0.00 31.44 26.33 1nqc n GLU 193 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1nqc n GLY 194 N -1.58 0.34 3.65 0.62 0.00 0.15 -4.72 105.19 103.65 1nqc n GLY 194 Ca -0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 1nqc n GLY 194 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1nqc s TYR 195 N -2.00 2.66 -0.01 1.61 1.51 -0.91 -2.09 117.35 118.12 1nqc s TYR 195 Ca 0.00 -0.28 0.00 0.00 -1.01 0.00 0.00 57.07 55.79 1nqc s TYR 195 Cb 0.00 -1.29 0.01 0.00 -0.11 0.00 0.00 41.96 40.58 1nqc s TYR 195 CO 0.00 0.57 -0.00 -1.50 -1.11 0.00 0.00 175.55 173.51 1nqc s ILE 196 N -2.37 0.09 -0.32 2.71 2.07 -0.25 -1.07 121.20 122.07 1nqc s ILE 196 Ca 0.33 0.04 -0.14 0.00 -1.41 0.00 0.00 60.65 59.47 1nqc s ILE 196 Cb -0.05 -0.14 -0.02 0.00 0.13 0.00 0.00 42.46 42.37 1nqc s ILE 196 CO 0.20 0.07 0.32 -0.13 -1.91 0.00 0.00 174.94 173.49 1nqc s ARG 197 N 0.49 3.71 -0.07 3.50 0.52 -1.26 -1.05 118.95 124.80 1nqc s ARG 197 Ca -0.04 -0.34 -0.02 0.00 -0.52 0.00 0.00 55.73 54.81 1nqc s ARG 197 Cb -0.07 -3.75 -0.03 0.00 0.52 0.00 0.00 34.95 31.62 1nqc s ARG 197 CO -0.01 -0.41 0.02 -1.64 0.02 0.00 0.00 175.30 173.28 1nqc s MET 198 N 1.95 3.00 0.11 3.54 -1.94 -0.57 0.45 119.30 125.84 1nqc s MET 198 Ca 0.11 -0.42 -0.36 0.00 -1.71 0.00 0.00 55.69 53.31 1nqc s MET 198 Cb -0.16 -2.82 -0.16 0.00 2.01 0.00 0.00 34.83 33.70 1nqc s MET 198 CO 0.11 0.69 1.39 0.00 -0.01 0.00 0.00 175.02 177.21 1nqc n ALA 199 N 1.92 -0.41 -2.53 3.03 0.00 -0.57 -0.16 120.51 121.80 1nqc n ALA 199 Ca -0.18 0.50 -0.32 0.00 0.00 0.00 0.00 53.44 53.45 1nqc n ALA 199 Cb 0.54 -2.14 -0.12 0.00 0.00 0.00 0.00 19.45 17.73 1nqc n ALA 199 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1nqc s ARG 200 N 0.55 2.34 -1.47 0.00 3.52 -0.41 -4.55 118.95 118.93 1nqc s ARG 200 Ca 0.83 -0.84 -0.04 0.00 -0.13 0.00 0.00 55.73 55.55 1nqc s ARG 200 Cb -0.88 -2.36 0.00 0.00 -1.56 0.00 0.00 34.95 30.15 1nqc s ARG 200 CO 0.45 0.57 0.53 0.09 -0.81 0.00 0.00 175.30 176.14 1nqc n ASN 201 N 1.58 -5.82 -2.65 -2.12 3.02 -1.26 -4.57 115.26 103.43 1nqc n ASN 201 Ca -0.16 -0.25 -0.27 0.00 -0.03 0.00 0.00 54.58 53.87 1nqc n ASN 201 Cb 0.52 -4.66 -0.01 0.00 -0.61 0.00 0.00 39.78 35.02 1nqc n ASN 201 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1nqc n LYS 202 N -3.74 3.33 -3.28 3.52 4.76 -1.26 -4.91 118.16 116.57 1nqc n LYS 202 Ca -0.11 -4.62 -0.17 0.00 -2.87 0.00 0.00 58.31 50.53 1nqc n LYS 202 Cb 0.62 -2.23 0.07 0.00 -1.84 0.00 0.00 35.03 31.64 1nqc n LYS 202 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1nqc n GLY 203 N -0.39 -0.23 3.53 0.72 0.00 -1.26 -3.24 105.19 104.32 1nqc n GLY 203 Ca 0.36 0.04 -0.20 0.00 0.00 0.00 0.00 46.02 46.21 1nqc n GLY 203 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1nqc n ASN 204 N -2.35 -2.97 -4.69 1.61 5.15 -1.26 -4.85 115.26 105.90 1nqc n ASN 204 Ca -0.09 -0.76 -0.45 0.00 -0.60 0.00 0.00 54.58 52.69 1nqc n ASN 204 Cb 0.58 -4.54 -0.04 0.00 -0.53 0.00 0.00 39.78 35.26 1nqc n ASN 204 CO 0.00 0.00 0.00 1.57 1.40 0.00 0.00 177.26 180.23 1nqc n HIS 205 N -4.01 2.45 -1.46 1.20 -0.00 -1.20 -1.14 115.22 111.06 1nqc n HIS 205 Ca -0.23 0.19 -0.16 0.00 -0.00 0.00 0.00 57.72 57.52 1nqc n HIS 205 Cb 0.65 -2.59 -0.07 0.00 -0.00 0.00 0.00 29.99 27.99 1nqc n HIS 205 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1nqc n GLY 207 N -0.08 0.54 0.34 0.00 0.00 -0.29 -0.59 105.19 105.11 1nqc n GLY 207 Ca -0.16 -0.24 0.11 0.00 0.00 0.00 0.00 46.02 45.73 1nqc n GLY 207 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1nqc h ILE 208 N 0.00 0.93 -0.67 -0.61 2.10 -1.65 -0.99 117.51 116.61 1nqc h ILE 208 Ca -0.36 -0.13 0.00 0.00 1.08 0.00 0.00 64.86 65.45 1nqc h ILE 208 Cb 1.18 0.51 0.00 0.00 -1.09 0.00 0.00 36.82 37.41 1nqc h ILE 208 CO 0.46 0.07 0.00 0.00 -1.08 0.00 0.00 178.15 177.60 1nqc n ALA 209 N -2.52 3.07 0.03 0.18 0.00 -1.26 -4.51 120.51 115.50 1nqc n ALA 209 Ca 0.08 -1.59 -0.13 0.00 0.00 0.00 0.00 53.44 51.80 1nqc n ALA 209 Cb 0.32 -1.03 -0.09 0.00 0.00 0.00 0.00 19.45 18.65 1nqc n ALA 209 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1nqc h SER 210 N 4.21 -0.08 -2.06 0.00 0.02 -1.45 0.16 113.55 114.34 1nqc h SER 210 Ca 0.00 -0.35 -0.57 0.00 -0.84 0.00 0.00 61.79 60.03 1nqc h SER 210 Cb 1.45 0.02 -0.40 0.00 0.14 0.00 0.00 62.40 63.62 1nqc h SER 210 CO 0.23 0.31 -0.95 0.49 -1.14 0.00 0.00 176.83 175.76 1nqc n PHE 211 N -4.95 0.87 -3.05 3.45 3.72 -1.26 -4.07 117.46 112.17 1nqc n PHE 211 Ca -0.08 -3.75 -0.37 0.00 -0.05 0.00 0.00 57.45 53.19 1nqc n PHE 211 Cb 0.22 -0.41 -0.06 0.00 -0.94 0.00 0.00 39.48 38.29 1nqc n PHE 211 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 1nqc s PRO 212 N -1.62 4.38 0.01 -1.08 0.02 -1.26 -4.17 135.00 131.29 1nqc s PRO 212 Ca 0.37 1.00 -0.17 0.00 0.02 0.00 0.00 61.00 62.22 1nqc s PRO 212 Cb 0.17 -3.03 0.03 0.00 0.02 0.00 0.00 34.50 31.69 1nqc s PRO 212 CO -0.08 0.46 0.36 -1.54 -0.33 0.00 0.00 177.00 175.88 1nqc s SER 213 N -1.44 -0.23 -0.05 2.53 1.04 0.15 -0.80 113.70 114.90 1nqc s SER 213 Ca 0.40 0.05 -0.08 0.00 0.48 0.00 0.00 55.95 56.80 1nqc s SER 213 Cb -0.19 0.37 0.02 0.00 0.10 0.00 0.00 66.02 66.31 1nqc s SER 213 CO 0.23 -0.55 0.20 -0.72 0.98 0.00 0.00 173.24 173.38 1nqc s TYR 214 N -1.90 -0.16 0.55 5.02 1.13 -0.31 -0.50 117.35 121.18 1nqc s TYR 214 Ca -0.09 0.37 -0.01 0.00 -1.41 0.00 0.00 57.07 55.93 1nqc s TYR 214 Cb -0.03 0.05 0.03 0.00 -1.10 0.00 0.00 41.96 40.91 1nqc s TYR 214 CO 0.01 -0.18 0.79 -1.25 -2.51 0.00 0.00 175.55 172.42 1nqc s PRO 215 N -0.38 2.66 -0.02 -3.49 0.04 -1.26 -0.45 135.00 132.10 1nqc s PRO 215 Ca -0.05 -0.57 -0.03 0.00 0.04 0.00 0.00 61.00 60.40 1nqc s PRO 215 Cb -0.03 -2.44 0.00 0.00 0.04 0.00 0.00 34.50 32.07 1nqc s PRO 215 CO 0.01 -0.68 0.07 -1.21 0.04 0.00 0.00 177.00 175.23 1nqc s GLU 216 N -4.80 0.17 0.00 4.56 2.02 -0.40 -4.92 118.70 115.33 1nqc s GLU 216 Ca 0.55 -0.06 0.28 0.00 0.02 0.00 0.00 54.97 55.77 1nqc s GLU 216 Cb -0.10 0.07 1.13 0.00 0.10 0.00 0.00 34.13 35.33 1nqc s GLU 216 CO 0.40 -0.03 1.79 -0.89 0.02 0.00 0.00 175.26 176.55