#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qa4 s ARG 2 N 0.00 4.31 0.88 0.00 0.52 -1.26 -5.03 118.95 118.38 2qa4 s ARG 2 Ca 0.00 2.22 -0.12 0.00 -0.52 0.00 0.00 55.73 57.31 2qa4 s ARG 2 Cb 0.00 -3.13 0.12 0.00 0.52 0.00 0.00 34.95 32.46 2qa4 s ARG 2 CO 0.00 -0.35 1.13 -1.54 0.02 0.00 0.00 175.30 174.56 2qa4 s SER 3 N 0.28 3.77 0.33 0.23 1.04 -1.26 -4.94 113.70 113.15 2qa4 s SER 3 Ca 0.58 1.02 0.07 0.00 0.48 0.00 0.00 55.95 58.09 2qa4 s SER 3 Cb -0.40 -1.63 0.58 0.00 0.10 0.00 0.00 66.02 64.68 2qa4 s SER 3 CO 0.43 -2.39 1.80 0.00 0.98 0.00 0.00 173.24 174.06 2qa4 h ALA 4 N -1.39 1.28 0.06 5.32 0.00 -2.03 -2.97 119.26 119.54 2qa4 h ALA 4 Ca -0.50 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.12 2qa4 h ALA 4 Cb 1.32 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 2qa4 h ALA 4 CO 0.62 0.48 -0.11 1.88 0.00 0.00 0.00 179.25 182.12 2qa4 h TYR 5 N 0.28 -0.27 0.00 0.00 0.99 -2.01 -2.35 116.97 113.61 2qa4 h TYR 5 Ca 0.05 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.78 2qa4 h TYR 5 Cb 0.57 0.11 0.00 0.00 1.00 0.00 0.00 36.73 38.42 2qa4 h TYR 5 CO 0.01 -0.16 0.38 -1.13 -0.00 0.00 0.00 178.16 177.26 2qa4 n SER 6 N -5.23 0.28 -0.05 3.88 3.41 -1.12 -0.12 113.62 114.67 2qa4 n SER 6 Ca -0.07 0.50 -0.17 0.00 -0.26 0.00 0.00 58.87 58.87 2qa4 n SER 6 Cb 0.15 -0.41 -0.13 0.00 -0.26 0.00 0.00 64.21 63.56 2qa4 n SER 6 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 2qa4 h TYR 7 N 0.00 0.13 -0.89 7.33 -1.99 -1.54 -2.95 116.97 117.06 2qa4 h TYR 7 Ca 0.00 -0.10 0.02 0.00 2.00 0.00 0.00 58.73 60.65 2qa4 h TYR 7 Cb 0.76 -0.01 -0.05 0.00 2.00 0.00 0.00 36.73 39.44 2qa4 h TYR 7 CO 0.00 1.20 0.59 0.82 -0.00 0.00 0.00 178.16 180.77 2qa4 h ILE 8 N -0.83 1.21 -0.36 -2.88 2.04 -0.57 0.53 117.51 116.65 2qa4 h ILE 8 Ca -0.12 -0.41 -0.07 0.00 1.00 0.00 0.00 64.86 65.26 2qa4 h ILE 8 Cb 1.24 -0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 2qa4 h ILE 8 CO -0.01 0.22 -0.07 -0.09 0.00 0.00 0.00 178.15 178.19 2qa4 h ARG 9 N 1.19 0.59 0.02 2.37 2.43 -1.49 -2.51 114.38 116.98 2qa4 h ARG 9 Ca 0.34 -0.16 -0.19 0.00 -0.81 0.00 0.00 59.98 59.16 2qa4 h ARG 9 Cb -0.10 -0.07 0.02 0.00 -0.42 0.00 0.00 29.97 29.40 2qa4 h ARG 9 CO -0.08 0.67 -0.74 0.22 -1.51 0.00 0.00 179.97 178.52 2qa4 h ASP 10 N 0.55 0.61 -0.94 -3.80 1.82 -1.18 -3.26 116.42 110.23 2qa4 h ASP 10 Ca 0.11 -0.78 0.13 0.00 -0.39 0.00 0.00 57.03 56.09 2qa4 h ASP 10 Cb 0.46 -0.19 -0.09 0.00 0.68 0.00 0.00 39.33 40.19 2qa4 h ASP 10 CO 0.02 1.32 0.56 0.00 -1.61 0.00 0.00 179.24 179.53 2qa4 h ALA 11 N 0.30 1.43 0.00 -0.78 0.00 -0.79 -0.05 119.26 119.36 2qa4 h ALA 11 Ca -0.10 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2qa4 h ALA 11 Cb 1.46 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2qa4 h ALA 11 CO 0.14 0.09 0.00 0.91 0.00 0.00 0.00 179.25 180.40 2qa4 n TRP 12 N -4.72 0.00 0.43 0.00 7.02 -0.96 -3.20 117.44 116.02 2qa4 n TRP 12 Ca 0.18 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.79 2qa4 n TRP 12 Cb 0.39 0.00 0.26 0.00 -2.42 0.00 0.00 31.31 29.54 2qa4 n TRP 12 CO 0.00 0.00 0.00 0.93 -2.02 0.00 0.00 177.69 176.60 2qa4 h GLU 13 N 0.00 0.00 -1.74 -0.99 5.08 -1.05 -3.38 114.58 112.49 2qa4 h GLU 13 Ca 0.00 0.00 -0.39 0.00 -1.00 0.00 0.00 59.36 57.97 2qa4 h GLU 13 Cb 0.00 0.00 -0.28 0.00 0.50 0.00 0.00 28.75 28.97 2qa4 h GLU 13 CO 0.00 0.00 -0.75 -0.80 -1.00 0.00 0.00 179.01 176.46 2qa4 s ASN 14 N -5.17 0.12 0.00 1.42 0.01 -1.19 -5.00 114.94 105.12 2qa4 s ASN 14 Ca 0.08 -2.44 0.11 0.00 -0.71 0.00 0.00 52.86 49.90 2qa4 s ASN 14 Cb 0.10 0.63 0.64 0.00 0.41 0.00 0.00 41.25 43.03 2qa4 s ASN 14 CO 0.65 -0.12 1.07 -0.81 -1.51 0.00 0.00 177.10 176.38 2qa4 n PRO 15 N 2.92 0.43 0.00 -0.60 -0.04 -1.26 -2.41 135.00 134.05 2qa4 n PRO 15 Ca 0.24 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.79 2qa4 n PRO 15 Cb 0.51 -1.39 -0.08 0.00 -0.04 0.00 0.00 33.50 32.50 2qa4 n PRO 15 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2qa4 n GLY 16 N -0.12 -0.59 3.62 0.55 0.00 -1.26 -3.44 105.19 103.96 2qa4 n GLY 16 Ca 0.08 -0.52 -0.27 0.00 0.00 0.00 0.00 46.02 45.31 2qa4 n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qa4 s ASP 17 N -2.62 4.52 0.74 1.61 1.01 -1.01 -4.71 116.67 116.21 2qa4 s ASP 17 Ca 0.09 -0.46 0.00 0.00 0.71 0.00 0.00 52.55 52.88 2qa4 s ASP 17 Cb 0.14 -0.88 0.00 0.00 1.01 0.00 0.00 42.92 43.19 2qa4 s ASP 17 CO 0.70 0.11 0.00 0.61 0.21 0.00 0.00 175.17 176.80 2qa4 n GLY 18 N 0.05 0.91 0.31 0.21 0.00 -1.26 -3.46 105.19 101.94 2qa4 n GLY 18 Ca -0.11 -0.70 -0.06 0.00 0.00 0.00 0.00 46.02 45.16 2qa4 n GLY 18 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2qa4 h GLN 19 N 0.00 0.98 -0.96 1.61 4.20 -1.97 -2.97 115.11 116.00 2qa4 h GLN 19 Ca 0.00 -0.24 0.00 0.00 0.06 0.00 0.00 58.65 58.47 2qa4 h GLN 19 Cb 0.00 -0.13 -0.05 0.00 0.30 0.00 0.00 27.48 27.61 2qa4 h GLN 19 CO 0.00 0.90 0.61 1.25 -0.67 0.00 0.00 178.83 180.92 2qa4 h LEU 20 N 0.93 1.12 -1.04 1.46 5.85 -1.90 0.67 115.31 122.39 2qa4 h LEU 20 Ca 0.19 -0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.79 2qa4 h LEU 20 Cb 0.39 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 2qa4 h LEU 20 CO 0.01 0.83 -0.11 0.00 -0.34 0.00 0.00 178.44 178.83 2qa4 h ALA 21 N 1.37 1.20 0.00 1.25 0.00 -1.55 0.58 119.26 122.11 2qa4 h ALA 21 Ca 0.35 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 2qa4 h ALA 21 Cb -0.11 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 2qa4 h ALA 21 CO -0.07 0.52 -0.53 1.49 0.00 0.00 0.00 179.25 180.65 2qa4 h GLU 22 N 0.52 0.00 0.01 0.00 4.81 -1.22 -2.37 114.58 116.33 2qa4 h GLU 22 Ca 0.10 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.27 2qa4 h GLU 22 Cb 0.50 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.89 2qa4 h GLU 22 CO 0.03 0.53 -0.24 -0.07 -0.73 0.00 0.00 179.01 178.54 2qa4 h LEU 23 N 0.00 0.18 -0.05 1.64 3.38 0.16 -3.19 115.31 117.43 2qa4 h LEU 23 Ca -0.01 -0.84 0.03 0.00 0.09 0.00 0.00 57.88 57.15 2qa4 h LEU 23 Cb 1.03 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.69 2qa4 h LEU 23 CO 0.07 1.00 -0.11 1.56 0.09 0.00 0.00 178.44 181.05 2qa4 h GLN 24 N -0.61 -0.16 -0.31 1.13 1.08 0.15 -0.92 115.11 115.47 2qa4 h GLN 24 Ca -0.03 0.01 0.09 0.00 -1.45 0.00 0.00 58.65 57.27 2qa4 h GLN 24 Cb 1.05 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.50 2qa4 h GLN 24 CO 0.05 -0.11 0.35 2.35 -0.95 0.00 0.00 178.83 180.53 2qa4 h TRP 25 N -0.16 0.00 0.00 2.96 7.01 -1.54 -1.67 115.95 122.55 2qa4 h TRP 25 Ca 0.06 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.06 2qa4 h TRP 25 Cb 0.24 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.30 2qa4 h TRP 25 CO -0.19 0.00 0.00 1.04 -2.79 0.00 0.00 178.44 176.50 2qa4 n GLN 26 N -3.70 0.00 -0.37 2.65 6.02 -0.46 -4.23 117.38 117.29 2qa4 n GLN 26 Ca 0.05 0.29 -0.05 0.00 -0.01 0.00 0.00 57.00 57.28 2qa4 n GLN 26 Cb 0.51 -0.76 -0.01 0.00 1.02 0.00 0.00 30.24 30.99 2qa4 n GLN 26 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2qa4 h ARG 27 N 0.00 -0.03 -1.00 -1.09 3.08 -1.17 0.77 114.38 114.94 2qa4 h ARG 27 Ca 0.00 0.00 0.40 0.00 0.07 0.00 0.00 59.98 60.45 2qa4 h ARG 27 Cb 0.00 0.01 -0.18 0.00 0.08 0.00 0.00 29.97 29.88 2qa4 h ARG 27 CO 0.00 -0.02 0.52 1.96 -1.07 0.00 0.00 179.97 181.36 2qa4 h GLN 28 N -0.03 0.05 -0.21 0.04 4.20 -1.53 1.36 115.11 118.98 2qa4 h GLN 28 Ca 0.27 -0.00 0.02 0.00 0.06 0.00 0.00 58.65 59.00 2qa4 h GLN 28 Cb 0.54 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.28 2qa4 h GLN 28 CO -0.93 0.03 0.05 1.96 -0.67 0.00 0.00 178.83 179.27 2qa4 h GLN 29 N 0.05 0.14 0.00 1.46 4.20 -1.01 -0.16 115.11 119.78 2qa4 h GLN 29 Ca 0.82 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 59.49 2qa4 h GLN 29 Cb 2.12 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 29.86 2qa4 h GLN 29 CO -0.75 0.09 -0.13 0.93 -0.67 0.00 0.00 178.83 178.30 2qa4 h GLU 30 N 0.14 0.00 0.00 1.46 5.08 0.14 -3.05 114.58 118.36 2qa4 h GLU 30 Ca 0.09 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.32 2qa4 h GLU 30 Cb 0.08 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 2qa4 h GLU 30 CO -0.11 0.13 -0.63 -1.49 -1.00 0.00 0.00 179.01 175.91 2qa4 h TRP 31 N 0.00 0.00 0.00 4.33 4.06 0.16 -3.23 115.95 121.27 2qa4 h TRP 31 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 2qa4 h TRP 31 Cb 0.69 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.85 2qa4 h TRP 31 CO 0.00 0.63 0.00 0.00 -3.56 0.00 0.00 178.44 175.51 2qa4 h ARG 32 N 0.00 0.00 0.00 0.49 3.08 -0.98 -3.08 114.38 113.89 2qa4 h ARG 32 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2qa4 h ARG 32 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.35 2qa4 h ARG 32 CO 0.08 0.00 -1.29 0.09 -1.07 0.00 0.00 179.97 177.78 2qa4 n ASN 33 N -2.35 0.52 -4.82 7.04 3.02 -1.22 -4.95 115.26 112.49 2qa4 n ASN 33 Ca 0.05 -0.16 -0.32 0.00 -0.03 0.00 0.00 54.58 54.12 2qa4 n ASN 33 Cb 0.40 1.10 -0.01 0.00 -0.61 0.00 0.00 39.78 40.67 2qa4 n ASN 33 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2qa4 s GLU 34 N -3.29 3.55 1.24 3.52 2.02 -1.17 -5.06 118.70 119.52 2qa4 s GLU 34 Ca 0.00 1.11 -0.21 0.00 0.02 0.00 0.00 54.97 55.90 2qa4 s GLU 34 Cb 0.14 -2.07 0.32 0.00 0.10 0.00 0.00 34.13 32.62 2qa4 s GLU 34 CO 0.84 -0.61 0.85 0.41 0.02 0.00 0.00 175.26 176.77 2qa4 n GLY 35 N -1.20 -3.52 0.33 -1.39 0.00 -1.26 -4.98 105.19 93.16 2qa4 n GLY 35 Ca 0.08 -1.36 -0.12 0.00 0.00 0.00 0.00 46.02 44.62 2qa4 n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qa4 h ALA 36 N -3.19 -0.77 -2.61 4.61 0.00 -1.93 -3.41 119.26 111.95 2qa4 h ALA 36 Ca -0.36 -0.18 -0.72 0.00 0.00 0.00 0.00 54.91 53.65 2qa4 h ALA 36 Cb 1.17 0.30 -0.26 0.00 0.00 0.00 0.00 17.79 18.99 2qa4 h ALA 36 CO 0.22 -0.72 -0.41 0.08 0.00 0.00 0.00 179.25 178.42 2qa4 s VAL 37 N -4.14 4.54 -0.13 0.00 1.01 -1.26 -2.56 120.40 117.86 2qa4 s VAL 37 Ca -0.12 -1.34 0.01 0.00 0.00 0.00 0.00 61.98 60.53 2qa4 s VAL 37 Cb 0.01 -3.78 -0.01 0.00 0.00 0.00 0.00 36.38 32.60 2qa4 s VAL 37 CO 0.36 -0.56 -0.16 -1.61 0.00 0.00 0.00 175.10 173.13 2qa4 s GLU 38 N 1.49 3.29 -0.24 2.72 0.41 -1.05 -5.03 118.70 120.29 2qa4 s GLU 38 Ca 0.04 -0.74 -0.23 0.00 -0.41 0.00 0.00 54.97 53.62 2qa4 s GLU 38 Cb -0.24 -2.55 -0.01 0.00 -1.78 0.00 0.00 34.13 29.55 2qa4 s GLU 38 CO 0.03 0.19 0.77 0.50 -0.49 0.00 0.00 175.26 176.26 2qa4 s ARG 39 N 0.39 4.17 0.12 1.61 3.52 -1.26 -1.76 118.95 125.74 2qa4 s ARG 39 Ca -0.12 0.84 0.03 0.00 -0.13 0.00 0.00 55.73 56.34 2qa4 s ARG 39 Cb -0.16 -3.64 -0.04 0.00 -1.56 0.00 0.00 34.95 29.55 2qa4 s ARG 39 CO 0.06 -0.47 0.18 0.96 -0.81 0.00 0.00 175.30 175.22 2qa4 s ILE 40 N 2.69 4.90 0.17 4.11 -4.36 -1.22 -4.98 121.20 122.50 2qa4 s ILE 40 Ca 0.33 -0.78 0.03 0.00 -0.26 0.00 0.00 60.65 59.97 2qa4 s ILE 40 Cb -0.15 -3.46 -0.14 0.00 1.25 0.00 0.00 42.46 39.96 2qa4 s ILE 40 CO 0.08 -0.01 1.39 -0.33 0.24 0.00 0.00 174.94 176.31 2qa4 h GLU 41 N 2.65 0.19 -4.00 0.37 5.08 -1.96 -3.40 114.58 113.50 2qa4 h GLU 41 Ca -0.47 -0.20 -0.23 0.00 -1.00 0.00 0.00 59.36 57.46 2qa4 h GLU 41 Cb 1.18 0.06 -0.25 0.00 0.50 0.00 0.00 28.75 30.24 2qa4 h GLU 41 CO 0.68 0.93 -0.72 1.03 -1.00 0.00 0.00 179.01 179.93 2qa4 s ARG 42 N -3.24 0.23 0.35 2.33 1.81 -1.26 -4.92 118.95 114.25 2qa4 s ARG 42 Ca -0.03 -0.34 -0.29 0.00 -1.72 0.00 0.00 55.73 53.36 2qa4 s ARG 42 Cb 0.10 -0.05 -0.11 0.00 -0.45 0.00 0.00 34.95 34.44 2qa4 s ARG 42 CO 0.82 0.00 1.49 -2.30 -0.68 0.00 0.00 175.30 174.63 2qa4 n PRO 43 N 2.33 2.60 -0.04 3.54 -0.02 -1.26 -4.92 135.00 137.22 2qa4 n PRO 43 Ca -0.18 0.91 -0.15 0.00 -2.02 0.00 0.00 63.50 62.06 2qa4 n PRO 43 Cb 0.57 -2.64 -0.08 0.00 -0.02 0.00 0.00 33.50 31.34 2qa4 n PRO 43 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 2qa4 h THR 44 N 2.99 1.36 -3.41 3.45 2.02 -2.01 -3.35 112.91 113.97 2qa4 h THR 44 Ca -0.49 -1.73 -0.75 0.00 0.77 0.00 0.00 66.41 64.21 2qa4 h THR 44 Cb 1.24 2.10 -0.32 0.00 -1.74 0.00 0.00 68.15 69.43 2qa4 h THR 44 CO 0.68 0.52 0.19 0.54 0.37 0.00 0.00 175.52 177.82 2qa4 n ARG 45 N -4.28 3.12 -0.26 6.66 1.74 -1.26 -4.91 116.66 117.47 2qa4 n ARG 45 Ca -0.07 -4.47 0.06 0.00 -0.77 0.00 0.00 57.85 52.59 2qa4 n ARG 45 Cb 0.56 -2.48 0.19 0.00 -1.02 0.00 0.00 32.46 29.71 2qa4 n ARG 45 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 2qa4 h LEU 46 N 6.26 0.31 0.44 0.55 6.46 -1.98 0.54 115.31 127.89 2qa4 h LEU 46 Ca 0.17 0.11 -0.02 0.00 -0.12 0.00 0.00 57.88 58.02 2qa4 h LEU 46 Cb 0.83 0.08 -0.00 0.00 -0.73 0.00 0.00 40.66 40.84 2qa4 h LEU 46 CO 0.95 0.11 -0.27 -2.24 -0.62 0.00 0.00 178.44 176.37 2qa4 h ASP 47 N 0.46 -0.69 -0.65 1.25 2.03 -1.91 -0.33 116.42 116.58 2qa4 h ASP 47 Ca 0.42 0.04 0.13 0.00 -0.73 0.00 0.00 57.03 56.89 2qa4 h ASP 47 Cb 0.64 0.20 -0.10 0.00 -0.83 0.00 0.00 39.33 39.24 2qa4 h ASP 47 CO -0.40 -0.42 0.10 0.50 -1.03 0.00 0.00 179.24 178.00 2qa4 h LYS 48 N -0.66 0.21 0.06 4.15 1.63 -1.91 0.36 116.57 120.40 2qa4 h LYS 48 Ca -0.06 -0.01 0.03 0.00 -0.85 0.00 0.00 60.65 59.75 2qa4 h LYS 48 Cb 0.53 -0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 32.08 2qa4 h LYS 48 CO 0.06 0.14 -0.27 0.00 -3.45 0.00 0.00 179.45 175.93 2qa4 h ALA 49 N 1.54 -0.41 -0.42 5.00 0.00 -0.79 0.23 119.26 124.41 2qa4 h ALA 49 Ca 0.35 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.23 2qa4 h ALA 49 Cb 0.56 0.46 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 2qa4 h ALA 49 CO -0.47 -0.79 0.26 0.00 0.00 0.00 0.00 179.25 178.25 2qa4 h ARG 50 N -0.44 0.56 0.00 0.00 3.08 0.16 0.20 114.38 117.93 2qa4 h ARG 50 Ca 0.05 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2qa4 h ARG 50 Cb 0.50 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.43 2qa4 h ARG 50 CO -0.20 0.40 0.00 0.45 -1.07 0.00 0.00 179.97 179.55 2qa4 n SER 51 N -4.77 0.00 -0.02 7.04 2.88 0.12 -1.33 113.62 117.53 2qa4 n SER 51 Ca 0.01 0.29 0.05 0.00 -1.33 0.00 0.00 58.87 57.89 2qa4 n SER 51 Cb 0.04 -0.36 -0.12 0.00 -0.75 0.00 0.00 64.21 63.02 2qa4 n SER 51 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2qa4 n GLN 52 N -1.36 0.69 0.00 -1.46 6.02 -0.00 -4.97 117.38 116.30 2qa4 n GLN 52 Ca 0.03 -0.12 0.00 0.00 -0.01 0.00 0.00 57.00 56.90 2qa4 n GLN 52 Cb 0.06 -1.39 0.00 0.00 1.02 0.00 0.00 30.24 29.94 2qa4 n GLN 52 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2qa4 n GLY 53 N 1.67 0.32 3.57 1.08 0.00 -0.44 -4.81 105.19 106.59 2qa4 n GLY 53 Ca -0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 2qa4 n GLY 53 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2qa4 n TYR 54 N 0.00 0.76 -3.69 1.61 9.36 0.61 -4.93 117.16 120.88 2qa4 n TYR 54 Ca 0.00 0.56 -0.14 0.00 3.32 0.00 0.00 57.90 61.64 2qa4 n TYR 54 Cb 0.00 -2.17 -0.08 0.00 -0.63 0.00 0.00 39.34 36.46 2qa4 n TYR 54 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 2qa4 s LYS 55 N -1.96 0.72 -1.26 2.98 1.02 -1.26 -4.49 119.74 115.49 2qa4 s LYS 55 Ca 0.64 0.19 -0.12 0.00 0.02 0.00 0.00 55.97 56.70 2qa4 s LYS 55 Cb -0.56 0.34 0.16 0.00 -0.52 0.00 0.00 37.83 37.25 2qa4 s LYS 55 CO 0.56 -0.18 1.68 0.00 -0.92 0.00 0.00 175.35 176.49 2qa4 n ALA 56 N 1.69 4.61 -2.46 5.17 0.00 -1.26 -4.84 120.51 123.42 2qa4 n ALA 56 Ca -0.18 -4.25 -0.23 0.00 0.00 0.00 0.00 53.44 48.78 2qa4 n ALA 56 Cb 0.56 -3.06 -0.09 0.00 0.00 0.00 0.00 19.45 16.86 2qa4 n ALA 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2qa4 s LYS 57 N 1.18 1.78 -0.30 0.00 2.20 -1.26 -5.11 119.74 118.23 2qa4 s LYS 57 Ca 0.42 -2.05 -0.24 0.00 -0.36 0.00 0.00 55.97 53.75 2qa4 s LYS 57 Cb 0.04 -0.60 -0.00 0.00 -1.51 0.00 0.00 37.83 35.76 2qa4 s LYS 57 CO 0.00 -0.38 0.79 -0.65 -0.36 0.00 0.00 175.35 174.75 2qa4 s GLN 58 N -3.80 4.00 0.00 4.03 -0.21 -1.26 -3.41 119.66 119.01 2qa4 s GLN 58 Ca 0.30 0.64 0.00 0.00 0.02 0.00 0.00 55.36 56.31 2qa4 s GLN 58 Cb 0.05 -3.72 0.00 0.00 1.00 0.00 0.00 33.01 30.34 2qa4 s GLN 58 CO 0.15 -0.66 0.00 0.41 -2.12 0.00 0.00 175.29 173.07 2qa4 n GLY 59 N 4.14 0.79 3.50 3.09 0.00 -1.26 -4.46 105.19 110.98 2qa4 n GLY 59 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 2qa4 n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qa4 s VAL 60 N -2.00 4.69 0.08 1.61 1.01 -1.22 -0.67 120.40 123.91 2qa4 s VAL 60 Ca 0.00 -0.05 0.10 0.00 0.00 0.00 0.00 61.98 62.03 2qa4 s VAL 60 Cb 0.00 -3.22 -0.03 0.00 0.00 0.00 0.00 36.38 33.13 2qa4 s VAL 60 CO 0.00 0.30 -0.25 -0.63 0.00 0.00 0.00 175.10 174.52 2qa4 s ILE 61 N 1.67 2.08 0.21 2.22 1.09 -0.77 -4.84 121.20 122.85 2qa4 s ILE 61 Ca 0.07 -1.53 0.08 0.00 -1.10 0.00 0.00 60.65 58.17 2qa4 s ILE 61 Cb -0.15 -1.82 -0.05 0.00 -1.06 0.00 0.00 42.46 39.38 2qa4 s ILE 61 CO 0.06 0.19 -0.15 -0.69 -0.10 0.00 0.00 174.94 174.26 2qa4 s VAL 62 N -0.94 1.79 -0.25 2.92 1.01 -1.26 -0.24 120.40 123.44 2qa4 s VAL 62 Ca 0.11 -2.22 -0.26 0.00 0.00 0.00 0.00 61.98 59.61 2qa4 s VAL 62 Cb -0.10 -2.06 0.12 0.00 0.00 0.00 0.00 36.38 34.34 2qa4 s VAL 62 CO 0.04 -0.58 1.01 0.00 0.00 0.00 0.00 175.10 175.57 2qa4 s ALA 63 N -2.92 -1.95 0.11 5.51 0.00 -0.75 -3.44 121.76 118.33 2qa4 s ALA 63 Ca 0.23 1.80 -0.08 0.00 0.00 0.00 0.00 51.96 53.91 2qa4 s ALA 63 Cb -0.01 -1.23 -0.06 0.00 0.00 0.00 0.00 23.12 21.82 2qa4 s ALA 63 CO 0.07 -0.26 0.40 0.50 0.00 0.00 0.00 175.76 176.48 2qa4 s ARG 64 N -0.10 3.71 -0.09 0.00 3.52 -0.72 0.61 118.95 125.88 2qa4 s ARG 64 Ca 0.02 0.09 -0.02 0.00 -0.13 0.00 0.00 55.73 55.68 2qa4 s ARG 64 Cb -0.04 -2.91 0.04 0.00 -1.56 0.00 0.00 34.95 30.48 2qa4 s ARG 64 CO -0.04 0.51 0.03 0.08 -0.81 0.00 0.00 175.30 175.07 2qa4 s VAL 65 N -1.53 0.19 -0.20 7.11 1.01 -0.31 -2.54 120.40 124.13 2qa4 s VAL 65 Ca 0.37 0.11 -0.12 0.00 0.00 0.00 0.00 61.98 62.35 2qa4 s VAL 65 Cb -0.13 -0.47 -0.05 0.00 0.00 0.00 0.00 36.38 35.73 2qa4 s VAL 65 CO 0.21 0.12 0.21 -0.94 0.00 0.00 0.00 175.10 174.70 2qa4 s SER 66 N 2.04 6.26 0.01 3.32 1.04 -1.06 -3.20 113.70 122.11 2qa4 s SER 66 Ca 0.04 0.29 0.07 0.00 0.48 0.00 0.00 55.95 56.83 2qa4 s SER 66 Cb -0.13 -2.13 -0.02 0.00 0.10 0.00 0.00 66.02 63.84 2qa4 s SER 66 CO -0.05 0.10 -0.20 -0.69 0.98 0.00 0.00 173.24 173.37 2qa4 s VAL 67 N 0.70 1.61 0.38 5.02 1.01 -1.09 -4.85 120.40 123.18 2qa4 s VAL 67 Ca 0.11 -0.99 -0.27 0.00 0.00 0.00 0.00 61.98 60.83 2qa4 s VAL 67 Cb -0.13 -1.37 -0.11 0.00 0.00 0.00 0.00 36.38 34.78 2qa4 s VAL 67 CO 0.02 0.35 1.37 -2.11 0.00 0.00 0.00 175.10 174.74 2qa4 n ARG 68 N 2.30 2.29 -2.33 2.72 0.00 -1.26 -2.12 116.66 118.26 2qa4 n ARG 68 Ca -0.16 0.81 -0.31 0.00 -0.00 0.00 0.00 57.85 58.19 2qa4 n ARG 68 Cb 0.53 -2.49 -0.02 0.00 -0.00 0.00 0.00 32.46 30.49 2qa4 n ARG 68 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2qa4 s LYS 69 N -2.08 3.80 0.00 2.89 1.02 -1.21 -4.80 119.74 119.36 2qa4 s LYS 69 Ca 0.56 0.77 0.00 0.00 0.02 0.00 0.00 55.97 57.33 2qa4 s LYS 69 Cb -0.51 -2.17 0.00 0.00 -0.52 0.00 0.00 37.83 34.62 2qa4 s LYS 69 CO 0.62 -0.32 0.00 0.41 -0.92 0.00 0.00 175.35 175.14 2qa4 n GLY 70 N -1.91 0.96 3.90 -3.33 0.00 -1.26 -4.91 105.19 98.64 2qa4 n GLY 70 Ca 0.05 -1.91 -0.25 0.00 0.00 0.00 0.00 46.02 43.91 2qa4 n GLY 70 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qa4 s SER 71 N -3.17 4.68 -0.43 1.61 1.04 -1.26 -5.02 113.70 111.15 2qa4 s SER 71 Ca 0.00 -1.17 -0.41 0.00 0.48 0.00 0.00 55.95 54.84 2qa4 s SER 71 Cb 0.00 0.27 -0.17 0.00 0.10 0.00 0.00 66.02 66.23 2qa4 s SER 71 CO 0.00 -1.04 2.04 0.00 0.98 0.00 0.00 173.24 175.22 2qa4 n ALA 72 N -1.74 0.23 -1.17 5.32 0.00 -1.11 -4.74 120.51 117.30 2qa4 n ALA 72 Ca -0.00 0.18 -0.18 0.00 0.00 0.00 0.00 53.44 53.44 2qa4 n ALA 72 Cb 0.64 -2.21 -0.13 0.00 0.00 0.00 0.00 19.45 17.75 2qa4 n ALA 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qa4 n ARG 73 N 7.02 2.27 -2.89 0.00 3.00 -1.26 -4.61 116.66 120.19 2qa4 n ARG 73 Ca 0.45 -1.47 -0.41 0.00 -0.01 0.00 0.00 57.85 56.41 2qa4 n ARG 73 Cb 0.05 -2.10 -0.04 0.00 0.00 0.00 0.00 32.46 30.38 2qa4 n ARG 73 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 2qa4 s LYS 74 N 0.34 4.49 0.45 5.56 2.20 -1.26 -5.06 119.74 126.47 2qa4 s LYS 74 Ca 0.65 1.13 -0.21 0.00 -0.36 0.00 0.00 55.97 57.17 2qa4 s LYS 74 Cb 0.32 -3.46 -0.09 0.00 -1.51 0.00 0.00 37.83 33.09 2qa4 s LYS 74 CO -0.06 0.00 1.01 1.03 -0.36 0.00 0.00 175.35 176.97 2qa4 s ARG 75 N 0.93 4.01 0.46 4.03 0.52 -1.26 -4.71 118.95 122.92 2qa4 s ARG 75 Ca 0.44 1.30 -0.22 0.00 -0.52 0.00 0.00 55.73 56.72 2qa4 s ARG 75 Cb -0.19 -2.19 -0.08 0.00 0.52 0.00 0.00 34.95 33.00 2qa4 s ARG 75 CO 0.22 -0.24 1.08 0.50 0.02 0.00 0.00 175.30 176.88 2qa4 s ARG 76 N -3.10 3.87 0.24 3.54 3.52 -1.26 -4.90 118.95 120.86 2qa4 s ARG 76 Ca 0.64 1.54 -0.31 0.00 -0.13 0.00 0.00 55.73 57.47 2qa4 s ARG 76 Cb -0.15 -2.31 -0.11 0.00 -1.56 0.00 0.00 34.95 30.83 2qa4 s ARG 76 CO 0.18 -0.41 1.54 -3.38 -0.81 0.00 0.00 175.30 172.43 2qa4 s HIS 77 N -1.74 2.95 -0.09 5.12 -3.43 -1.26 -4.94 115.29 111.89 2qa4 s HIS 77 Ca 0.64 0.80 0.07 0.00 -0.80 0.00 0.00 55.06 55.77 2qa4 s HIS 77 Cb -0.22 -3.94 -0.24 0.00 -1.43 0.00 0.00 32.58 26.75 2qa4 s HIS 77 CO 0.27 -3.24 0.47 1.63 -2.00 0.00 0.00 174.74 171.86 2qa4 n LYS 78 N 2.84 0.67 -0.51 -0.38 5.02 -1.26 -4.96 118.16 119.58 2qa4 n LYS 78 Ca 0.10 0.25 0.00 0.00 -2.02 0.00 0.00 58.31 56.63 2qa4 n LYS 78 Cb 0.39 -1.73 0.00 0.00 -0.02 0.00 0.00 35.03 33.67 2qa4 n LYS 78 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2qa4 n ALA 79 N -2.74 0.00 -2.32 7.82 0.00 -1.26 -5.02 120.51 116.99 2qa4 n ALA 79 Ca -0.24 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.77 2qa4 n ALA 79 Cb 1.06 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.49 2qa4 n ALA 79 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2qa4 s GLY 80 N -1.93 1.53 -0.06 0.00 0.00 -1.26 -5.01 107.32 100.59 2qa4 s GLY 80 Ca 0.00 0.47 -0.01 0.00 0.00 0.00 0.00 44.72 45.18 2qa4 s GLY 80 CO 0.00 2.66 0.00 -1.60 0.00 0.00 0.00 173.10 174.16 2qa4 s ARG 81 N 3.85 0.49 0.70 2.90 6.06 -1.26 -5.14 118.95 126.55 2qa4 s ARG 81 Ca 0.60 0.11 -0.16 0.00 -2.50 0.00 0.00 55.73 53.77 2qa4 s ARG 81 Cb -0.23 -0.80 0.00 0.00 0.06 0.00 0.00 34.95 33.98 2qa4 s ARG 81 CO 0.20 -0.24 1.10 2.89 -2.50 0.00 0.00 175.30 176.74 2qa4 n ARG 82 N 4.83 0.69 -0.25 5.12 1.85 -1.26 -4.68 116.66 122.96 2qa4 n ARG 82 Ca -0.13 0.29 0.23 0.00 -1.00 0.00 0.00 57.85 57.25 2qa4 n ARG 82 Cb 0.50 -2.34 0.43 0.00 -1.05 0.00 0.00 32.46 30.01 2qa4 n ARG 82 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 2qa4 n SER 83 N -1.85 0.23 -0.22 2.89 3.41 -1.26 -1.17 113.62 115.65 2qa4 n SER 83 Ca 0.14 1.30 -0.08 0.00 -0.26 0.00 0.00 58.87 59.97 2qa4 n SER 83 Cb 0.49 -0.62 0.03 0.00 -0.26 0.00 0.00 64.21 63.85 2qa4 n SER 83 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 2qa4 h LYS 84 N 0.00 1.00 -0.23 4.33 3.11 -2.05 -2.96 116.57 119.77 2qa4 h LYS 84 Ca 0.64 -0.26 0.00 0.00 -2.81 0.00 0.00 60.65 58.22 2qa4 h LYS 84 Cb 1.67 -0.12 0.00 0.00 -1.00 0.00 0.00 32.23 32.78 2qa4 h LYS 84 CO -0.62 0.94 0.00 0.54 -2.81 0.00 0.00 179.45 177.50 2qa4 n ARG 85 N -4.30 1.72 0.00 1.90 5.12 -0.32 -4.38 116.66 116.40 2qa4 n ARG 85 Ca 0.03 -1.10 0.00 0.00 -1.93 0.00 0.00 57.85 54.85 2qa4 n ARG 85 Cb 0.27 -1.33 0.00 0.00 -1.16 0.00 0.00 32.46 30.24 2qa4 n ARG 85 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 2qa4 n GLN 86 N 0.35 0.93 -2.85 5.56 6.02 -1.12 -4.89 117.38 121.38 2qa4 n GLN 86 Ca 0.14 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.81 2qa4 n GLN 86 Cb 0.30 -1.43 -0.05 0.00 1.02 0.00 0.00 30.24 30.07 2qa4 n GLN 86 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 2qa4 s GLY 87 N -0.14 2.23 0.00 1.08 0.00 -1.26 -4.93 107.32 104.31 2qa4 s GLY 87 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 44.72 44.86 2qa4 s GLY 87 CO 0.00 0.37 0.00 -0.62 0.00 0.00 0.00 173.10 172.85 2qa4 n VAL 88 N -0.84 0.00 0.00 1.40 0.31 -1.26 -4.82 118.33 113.12 2qa4 n VAL 88 Ca 0.05 0.00 -0.00 0.00 -0.01 0.00 0.00 64.34 64.38 2qa4 n VAL 88 Cb 0.54 -0.35 -0.00 0.00 -0.91 0.00 0.00 33.84 33.12 2qa4 n VAL 88 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 2qa4 h THR 89 N 0.00 0.00 0.24 2.52 2.02 -1.86 -3.35 112.91 112.48 2qa4 h THR 89 Ca 0.00 -0.10 -0.00 0.00 0.77 0.00 0.00 66.41 67.07 2qa4 h THR 89 Cb 0.00 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.39 2qa4 h THR 89 CO 0.00 0.00 -0.34 0.03 0.37 0.00 0.00 175.52 175.58 2qa4 h ARG 90 N -0.13 -0.58 -6.18 6.66 3.08 -1.95 -3.37 114.38 111.91 2qa4 h ARG 90 Ca -0.00 0.04 -0.65 0.00 0.07 0.00 0.00 59.98 59.44 2qa4 h ARG 90 Cb 0.02 0.13 0.11 0.00 0.08 0.00 0.00 29.97 30.31 2qa4 h ARG 90 CO 0.00 -0.39 -0.27 -0.89 -1.07 0.00 0.00 179.97 177.36 2qa4 n ILE 91 N -4.42 1.96 -4.49 2.04 5.41 -1.26 -4.71 119.36 113.89 2qa4 n ILE 91 Ca -0.07 -0.49 -0.24 0.00 1.00 0.00 0.00 62.75 62.95 2qa4 n ILE 91 Cb 0.29 -0.38 -0.10 0.00 -0.71 0.00 0.00 39.64 38.74 2qa4 n ILE 91 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 2qa4 s THR 92 N -1.00 1.98 0.90 1.39 -4.23 -1.26 -2.75 115.64 110.68 2qa4 s THR 92 Ca 0.62 -2.18 -0.11 0.00 -1.18 0.00 0.00 61.69 58.84 2qa4 s THR 92 Cb -0.85 -2.53 0.13 0.00 1.34 0.00 0.00 72.50 70.59 2qa4 s THR 92 CO 0.57 -0.26 1.09 -0.13 -0.54 0.00 0.00 174.62 175.35 2qa4 s ARG 93 N -3.66 1.23 -0.05 3.99 1.81 -1.26 -4.89 118.95 116.13 2qa4 s ARG 93 Ca 0.31 0.92 0.19 0.00 -1.72 0.00 0.00 55.73 55.43 2qa4 s ARG 93 Cb 0.03 -1.80 0.63 0.00 -0.45 0.00 0.00 34.95 33.36 2qa4 s ARG 93 CO 0.14 -2.28 1.53 0.54 -0.68 0.00 0.00 175.30 174.55 2qa4 n ARG 94 N -3.93 3.01 -3.98 3.54 1.74 -1.26 -4.79 116.66 110.99 2qa4 n ARG 94 Ca 0.07 -2.53 -0.30 0.00 -0.77 0.00 0.00 57.85 54.32 2qa4 n ARG 94 Cb 0.55 -1.68 -0.16 0.00 -1.02 0.00 0.00 32.46 30.15 2qa4 n ARG 94 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2qa4 s LYS 95 N -1.43 1.92 0.40 5.56 2.20 -1.26 -4.99 119.74 122.15 2qa4 s LYS 95 Ca 0.46 -0.80 -0.26 0.00 -0.36 0.00 0.00 55.97 55.01 2qa4 s LYS 95 Cb 0.27 -2.37 -0.08 0.00 -1.51 0.00 0.00 37.83 34.14 2qa4 s LYS 95 CO 0.27 -0.44 1.24 0.16 -0.36 0.00 0.00 175.35 176.22 2qa4 s ASP 96 N 1.43 6.40 0.52 1.43 -4.77 -1.26 -4.84 116.67 115.58 2qa4 s ASP 96 Ca -0.01 2.51 0.41 0.00 -3.30 0.00 0.00 52.55 52.15 2qa4 s ASP 96 Cb -0.16 -2.63 1.59 0.00 -1.09 0.00 0.00 42.92 40.63 2qa4 s ASP 96 CO -0.08 -0.78 1.67 0.40 0.70 0.00 0.00 175.17 177.08 2qa4 h ILE 97 N 2.38 0.18 -0.43 2.11 2.04 -1.99 0.49 117.51 122.30 2qa4 h ILE 97 Ca -0.49 -0.01 -0.10 0.00 1.00 0.00 0.00 64.86 65.26 2qa4 h ILE 97 Cb 1.24 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 2qa4 h ILE 97 CO 0.62 0.01 -0.11 -0.61 0.00 0.00 0.00 178.15 178.07 2qa4 h GLN 98 N 0.04 0.83 -0.13 2.37 4.15 -2.00 -2.50 115.11 117.87 2qa4 h GLN 98 Ca 0.78 -0.32 -0.10 0.00 0.77 0.00 0.00 58.65 59.78 2qa4 h GLN 98 Cb 2.95 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 30.58 2qa4 h GLN 98 CO -0.11 0.94 -0.38 -0.09 -1.93 0.00 0.00 178.83 177.27 2qa4 h ARG 99 N 0.65 0.28 -0.83 1.69 2.43 -0.37 -1.97 114.38 116.26 2qa4 h ARG 99 Ca 0.11 -0.13 -0.04 0.00 -0.81 0.00 0.00 59.98 59.12 2qa4 h ARG 99 Cb 0.64 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.15 2qa4 h ARG 99 CO 0.04 0.63 0.38 0.28 -1.51 0.00 0.00 179.97 179.79 2qa4 h VAL 100 N 0.24 1.26 -0.35 0.20 2.07 -1.36 -2.65 116.25 115.66 2qa4 h VAL 100 Ca 0.02 -0.75 -0.00 0.00 0.82 0.00 0.00 66.70 66.79 2qa4 h VAL 100 Cb 0.79 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 2qa4 h VAL 100 CO 0.06 0.32 0.20 0.00 0.02 0.00 0.00 177.57 178.17 2qa4 h ALA 101 N 1.22 0.44 -0.78 1.67 0.00 -0.91 -2.20 119.26 118.70 2qa4 h ALA 101 Ca 0.28 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.22 2qa4 h ALA 101 Cb 0.15 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 2qa4 h ALA 101 CO -0.03 -0.05 0.51 0.93 0.00 0.00 0.00 179.25 180.61 2qa4 h GLU 102 N 0.45 0.73 -0.03 0.00 5.08 -1.09 -2.37 114.58 117.35 2qa4 h GLU 102 Ca 0.12 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.37 2qa4 h GLU 102 Cb 0.02 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.11 2qa4 h GLU 102 CO -0.02 0.48 -0.26 0.93 -1.00 0.00 0.00 179.01 179.14 2qa4 h GLU 103 N 0.75 0.23 -0.95 2.33 5.08 -1.24 -0.88 114.58 119.90 2qa4 h GLU 103 Ca 0.35 -0.21 0.19 0.00 -1.00 0.00 0.00 59.36 58.69 2qa4 h GLU 103 Cb 0.38 0.05 -0.08 0.00 0.50 0.00 0.00 28.75 29.59 2qa4 h GLU 103 CO -0.13 0.89 0.61 0.00 -1.00 0.00 0.00 179.01 179.37 2qa4 h ARG 104 N -0.36 0.60 0.12 2.33 3.08 -1.17 -0.98 114.38 117.99 2qa4 h ARG 104 Ca -0.02 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 2qa4 h ARG 104 Cb 0.95 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.87 2qa4 h ARG 104 CO 0.05 0.40 -0.06 0.00 -1.07 0.00 0.00 179.97 179.29 2qa4 h ALA 105 N 1.62 -0.16 -0.88 0.04 0.00 -1.41 -2.55 119.26 115.92 2qa4 h ALA 105 Ca 0.51 -0.25 0.13 0.00 0.00 0.00 0.00 54.91 55.29 2qa4 h ALA 105 Cb 0.97 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.76 2qa4 h ALA 105 CO -0.26 -0.25 0.57 1.03 0.00 0.00 0.00 179.25 180.33 2qa4 h SER 106 N -0.82 0.70 0.29 0.00 0.87 -0.49 -0.76 113.55 113.33 2qa4 h SER 106 Ca -0.02 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.56 2qa4 h SER 106 Cb 0.56 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.41 2qa4 h SER 106 CO 0.03 0.37 -0.14 0.03 -0.53 0.00 0.00 176.83 176.59 2qa4 h ARG 107 N 0.75 -0.38 -1.04 2.24 3.08 -1.26 -2.73 114.38 115.04 2qa4 h ARG 107 Ca 0.43 0.03 0.27 0.00 0.07 0.00 0.00 59.98 60.78 2qa4 h ARG 107 Cb 0.60 0.09 -0.08 0.00 0.08 0.00 0.00 29.97 30.66 2qa4 h ARG 107 CO -0.19 -0.15 0.69 1.15 -1.07 0.00 0.00 179.97 180.40 2qa4 h THR 108 N -0.56 0.52 -2.54 2.04 2.02 -0.72 -1.96 112.91 111.70 2qa4 h THR 108 Ca -0.04 -0.11 -0.62 0.00 0.77 0.00 0.00 66.41 66.41 2qa4 h THR 108 Cb 0.41 0.17 -0.41 0.00 -1.74 0.00 0.00 68.15 66.58 2qa4 h THR 108 CO 0.07 0.06 -0.47 0.49 0.37 0.00 0.00 175.52 176.03 2qa4 n PHE 109 N -4.54 3.51 -0.21 3.16 3.01 -0.73 -5.00 117.46 116.67 2qa4 n PHE 109 Ca 0.25 -4.11 -0.06 0.00 1.01 0.00 0.00 57.45 54.54 2qa4 n PHE 109 Cb 0.92 -0.65 -0.05 0.00 -0.01 0.00 0.00 39.48 39.68 2qa4 n PHE 109 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 2qa4 n PRO 110 N 1.26 -0.22 0.22 -1.08 -0.04 -0.74 -1.59 135.00 132.81 2qa4 n PRO 110 Ca 0.27 1.20 0.14 0.00 -0.04 0.00 0.00 63.50 65.07 2qa4 n PRO 110 Cb 0.39 -1.77 0.78 0.00 -0.04 0.00 0.00 33.50 32.86 2qa4 n PRO 110 CO 0.00 0.00 0.00 -2.95 -0.04 0.00 0.00 175.50 172.51 2qa4 h ASN 111 N 0.00 0.00 -4.22 3.54 -1.07 -1.90 -3.43 115.58 108.49 2qa4 h ASN 111 Ca 0.08 0.00 -0.48 0.00 0.07 0.00 0.00 56.30 55.97 2qa4 h ASN 111 Cb 0.21 0.00 0.03 0.00 -2.07 0.00 0.00 38.32 36.48 2qa4 h ASN 111 CO -0.47 0.00 0.38 -0.76 0.07 0.00 0.00 177.43 176.65 2qa4 s LEU 112 N -8.18 3.54 0.15 6.14 1.43 -0.62 -4.61 118.68 116.53 2qa4 s LEU 112 Ca -0.05 1.56 0.11 0.00 -1.03 0.00 0.00 54.13 54.72 2qa4 s LEU 112 Cb 0.16 -4.50 -0.04 0.00 0.03 0.00 0.00 46.19 41.84 2qa4 s LEU 112 CO 0.60 -0.68 -0.25 -0.13 0.23 0.00 0.00 176.35 176.12 2qa4 s ARG 113 N -4.27 1.48 -0.28 1.70 0.52 -0.63 -4.91 118.95 112.55 2qa4 s ARG 113 Ca 0.58 -1.40 -0.22 0.00 -0.52 0.00 0.00 55.73 54.18 2qa4 s ARG 113 Cb -0.11 -1.90 -0.01 0.00 0.52 0.00 0.00 34.95 33.46 2qa4 s ARG 113 CO 0.36 0.43 0.72 0.08 0.02 0.00 0.00 175.30 176.91 2qa4 s VAL 114 N -1.28 4.88 0.00 3.52 1.01 -1.26 -0.96 120.40 126.31 2qa4 s VAL 114 Ca 0.17 1.16 0.00 0.00 0.00 0.00 0.00 61.98 63.31 2qa4 s VAL 114 Cb -0.09 -4.06 0.00 0.00 0.00 0.00 0.00 36.38 32.23 2qa4 s VAL 114 CO 0.08 -0.13 0.21 -0.11 0.00 0.00 0.00 175.10 175.15 2qa4 n LEU 115 N 5.98 0.55 0.00 3.92 -0.00 -0.22 -4.82 117.00 122.41 2qa4 n LEU 115 Ca 0.02 0.50 -0.03 0.00 -0.00 0.00 0.00 56.01 56.50 2qa4 n LEU 115 Cb 0.48 -0.38 -0.00 0.00 -0.00 0.00 0.00 43.42 43.52 2qa4 n LEU 115 CO 0.47 -0.38 0.07 -3.20 -0.00 0.00 0.00 177.39 174.35 2qa4 n ASN 116 N -1.64 -0.40 -3.91 1.96 2.85 -1.18 -4.66 115.26 108.29 2qa4 n ASN 116 Ca 0.00 -1.43 -0.09 0.00 -0.11 0.00 0.00 54.58 52.95 2qa4 n ASN 116 Cb 0.00 0.71 -0.05 0.00 1.24 0.00 0.00 39.78 41.67 2qa4 n ASN 116 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 2qa4 s SER 117 N -1.51 -0.11 -0.13 1.20 1.04 -1.26 -1.36 113.70 111.57 2qa4 s SER 117 Ca 0.06 -0.77 -0.30 0.00 0.48 0.00 0.00 55.95 55.42 2qa4 s SER 117 Cb -0.01 0.55 0.11 0.00 0.10 0.00 0.00 66.02 66.77 2qa4 s SER 117 CO 0.04 -1.05 0.92 -0.72 0.98 0.00 0.00 173.24 173.41 2qa4 s TYR 118 N -3.96 -0.43 0.48 5.02 -0.85 -0.86 -4.98 117.35 111.77 2qa4 s TYR 118 Ca 0.17 0.71 -0.22 0.00 -0.52 0.00 0.00 57.07 57.21 2qa4 s TYR 118 Cb 0.00 0.45 -0.07 0.00 0.38 0.00 0.00 41.96 42.72 2qa4 s TYR 118 CO 0.03 -0.41 1.15 0.45 -1.52 0.00 0.00 175.55 175.24 2qa4 s SER 119 N -1.22 6.08 -0.32 -0.18 0.15 -1.26 -0.00 113.70 116.95 2qa4 s SER 119 Ca -0.03 2.25 0.18 0.00 0.70 0.00 0.00 55.95 59.05 2qa4 s SER 119 Cb -0.00 -2.60 0.46 0.00 -1.71 0.00 0.00 66.02 62.17 2qa4 s SER 119 CO 0.03 -0.98 1.08 1.33 1.20 0.00 0.00 173.24 175.90 2qa4 n VAL 120 N -0.69 0.88 0.00 4.45 0.24 -0.27 -4.78 118.33 118.16 2qa4 n VAL 120 Ca 0.08 -2.69 0.00 0.00 -2.04 0.00 0.00 64.34 59.69 2qa4 n VAL 120 Cb 0.49 0.90 0.00 0.00 -1.47 0.00 0.00 33.84 33.76 2qa4 n VAL 120 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2qa4 n GLY 121 N -0.36 1.28 3.63 7.63 0.00 -1.25 -4.69 105.19 111.43 2qa4 n GLY 121 Ca 0.05 -2.01 -0.07 0.00 0.00 0.00 0.00 46.02 43.99 2qa4 n GLY 121 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2qa4 s GLN 122 N -1.92 0.35 0.00 1.61 -2.07 -1.26 -0.68 119.66 115.69 2qa4 s GLN 122 Ca 0.00 0.30 0.00 0.00 -1.82 0.00 0.00 55.36 53.84 2qa4 s GLN 122 Cb 0.00 0.17 0.00 0.00 -1.09 0.00 0.00 33.01 32.09 2qa4 s GLN 122 CO 0.00 -0.06 0.00 -0.40 -1.32 0.00 0.00 175.29 173.51 2qa4 n ASP 123 N 1.58 0.00 0.01 12.60 5.68 -0.51 -5.00 116.55 130.90 2qa4 n ASP 123 Ca -0.10 0.00 0.13 0.00 -0.50 0.00 0.00 54.79 54.32 2qa4 n ASP 123 Cb 0.57 0.00 0.51 0.00 -1.14 0.00 0.00 41.12 41.06 2qa4 n ASP 123 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2qa4 n GLY 124 N 5.00 -1.44 1.96 6.12 0.00 -1.26 -4.24 105.19 111.33 2qa4 n GLY 124 Ca 0.00 -0.16 0.01 0.00 0.00 0.00 0.00 46.02 45.86 2qa4 n GLY 124 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2qa4 n ARG 125 N -1.55 0.67 0.00 1.61 1.85 -1.26 -4.94 116.66 113.04 2qa4 n ARG 125 Ca 0.06 -2.26 0.00 0.00 -1.00 0.00 0.00 57.85 54.65 2qa4 n ARG 125 Cb 0.34 -0.40 0.00 0.00 -1.05 0.00 0.00 32.46 31.36 2qa4 n ARG 125 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2qa4 n GLN 126 N -0.11 0.00 -4.66 2.89 10.64 -1.26 -3.31 117.38 121.58 2qa4 n GLN 126 Ca -0.01 0.00 -0.23 0.00 -1.83 0.00 0.00 57.00 54.93 2qa4 n GLN 126 Cb 0.95 0.00 -0.15 0.00 -0.86 0.00 0.00 30.24 30.19 2qa4 n GLN 126 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 2qa4 s LYS 127 N -2.00 1.24 0.04 2.61 1.02 -0.90 -1.43 119.74 120.33 2qa4 s LYS 127 Ca 0.00 -0.68 0.06 0.00 0.02 0.00 0.00 55.97 55.37 2qa4 s LYS 127 Cb 0.00 -1.24 -0.03 0.00 -0.52 0.00 0.00 37.83 36.03 2qa4 s LYS 127 CO 0.00 0.33 -0.13 -1.58 -0.92 0.00 0.00 175.35 173.05 2qa4 s TRP 128 N -0.55 2.68 -0.04 3.18 0.51 0.15 -2.67 118.94 122.20 2qa4 s TRP 128 Ca 0.05 -0.18 -0.06 0.00 -2.12 0.00 0.00 56.10 53.80 2qa4 s TRP 128 Cb -0.07 -1.50 0.01 0.00 -0.81 0.00 0.00 33.47 31.11 2qa4 s TRP 128 CO 0.00 0.32 0.15 -1.01 -0.51 0.00 0.00 176.95 175.90 2qa4 s HIS 129 N -1.00 -0.12 0.19 -1.98 3.76 -1.19 -1.12 115.29 113.83 2qa4 s HIS 129 Ca 0.17 0.28 0.04 0.00 -0.15 0.00 0.00 55.06 55.39 2qa4 s HIS 129 Cb -0.11 0.03 -0.03 0.00 1.11 0.00 0.00 32.58 33.58 2qa4 s HIS 129 CO 0.07 -0.14 0.30 -1.21 -0.85 0.00 0.00 174.74 172.92 2qa4 s GLU 130 N -0.29 3.39 -0.04 1.40 2.02 1.00 -1.16 118.70 125.02 2qa4 s GLU 130 Ca -0.04 -0.70 0.02 0.00 0.02 0.00 0.00 54.97 54.27 2qa4 s GLU 130 Cb -0.03 -2.90 0.01 0.00 0.10 0.00 0.00 34.13 31.31 2qa4 s GLU 130 CO 0.01 0.48 -0.07 0.08 0.02 0.00 0.00 175.26 175.77 2qa4 s VAL 131 N -1.85 0.69 -0.28 2.63 1.01 0.20 -2.03 120.40 120.77 2qa4 s VAL 131 Ca 0.34 -0.26 -0.12 0.00 0.00 0.00 0.00 61.98 61.94 2qa4 s VAL 131 Cb -0.10 -0.65 -0.04 0.00 0.00 0.00 0.00 36.38 35.58 2qa4 s VAL 131 CO 0.28 0.24 0.23 -0.63 0.00 0.00 0.00 175.10 175.22 2qa4 s ILE 132 N 0.54 5.28 0.35 2.22 1.01 -0.46 -1.80 121.20 128.33 2qa4 s ILE 132 Ca -0.08 0.21 0.09 0.00 0.00 0.00 0.00 60.65 60.87 2qa4 s ILE 132 Cb -0.12 -3.58 -0.06 0.00 0.01 0.00 0.00 42.46 38.71 2qa4 s ILE 132 CO 0.01 0.20 -0.01 -0.76 0.00 0.00 0.00 174.94 174.38 2qa4 s LEU 133 N 1.82 2.90 -0.01 2.97 1.02 0.67 -1.05 118.68 126.99 2qa4 s LEU 133 Ca 0.09 -1.09 -0.02 0.00 0.02 0.00 0.00 54.13 53.12 2qa4 s LEU 133 Cb -0.16 -1.21 0.00 0.00 0.02 0.00 0.00 46.19 44.84 2qa4 s LEU 133 CO 0.11 -0.26 0.05 -0.63 0.02 0.00 0.00 176.35 175.64 2qa4 s ILE 134 N -2.57 0.02 -0.83 -0.59 -1.09 -0.13 -1.85 121.20 114.16 2qa4 s ILE 134 Ca 0.34 -0.16 -0.17 0.00 -2.23 0.00 0.00 60.65 58.44 2qa4 s ILE 134 Cb 0.02 -0.13 0.17 0.00 -1.58 0.00 0.00 42.46 40.93 2qa4 s ILE 134 CO 0.18 -0.09 0.90 -0.62 -1.23 0.00 0.00 174.94 174.09 2qa4 s ASP 135 N -0.25 6.62 0.00 3.58 2.15 0.16 -1.61 116.67 127.33 2qa4 s ASP 135 Ca -0.03 -2.24 0.02 0.00 0.43 0.00 0.00 52.55 50.73 2qa4 s ASP 135 Cb -0.02 -2.30 0.11 0.00 -0.30 0.00 0.00 42.92 40.41 2qa4 s ASP 135 CO 0.00 -0.85 0.39 -0.81 -0.17 0.00 0.00 175.17 173.73 2qa4 n PRO 136 N 5.37 0.18 -0.06 4.34 -0.04 -1.26 -1.09 135.00 142.44 2qa4 n PRO 136 Ca 0.14 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.65 2qa4 n PRO 136 Cb 0.47 -1.16 0.07 0.00 -0.04 0.00 0.00 33.50 32.84 2qa4 n PRO 136 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2qa4 n ASN 137 N -0.66 2.16 -4.62 3.54 3.02 -1.26 -4.75 115.26 112.68 2qa4 n ASN 137 Ca 0.01 -1.64 -0.37 0.00 -0.03 0.00 0.00 54.58 52.55 2qa4 n ASN 137 Cb 0.01 -0.08 -0.10 0.00 -0.61 0.00 0.00 39.78 38.99 2qa4 n ASN 137 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 2qa4 s HIS 138 N -0.84 3.26 0.50 3.10 2.46 -0.25 -4.99 115.29 118.53 2qa4 s HIS 138 Ca 0.14 0.17 0.33 0.00 0.47 0.00 0.00 55.06 56.16 2qa4 s HIS 138 Cb 0.08 -2.33 1.45 0.00 -0.13 0.00 0.00 32.58 31.65 2qa4 s HIS 138 CO 0.11 -0.06 1.77 -1.00 -2.47 0.00 0.00 174.74 173.10 2qa4 h PRO 139 N 7.98 0.10 -0.21 2.88 0.13 -1.93 -0.19 132.00 140.76 2qa4 h PRO 139 Ca -0.36 -0.01 0.04 0.00 -0.87 0.00 0.00 66.00 64.80 2qa4 h PRO 139 Cb 1.18 -0.02 -0.04 0.00 0.13 0.00 0.00 31.00 32.25 2qa4 h PRO 139 CO 0.60 0.07 -0.06 0.00 -0.23 0.00 0.00 178.00 178.37 2qa4 h ALA 140 N 1.45 0.13 0.00 -0.56 0.00 -1.94 -1.15 119.26 117.19 2qa4 h ALA 140 Ca 0.61 0.08 -0.18 0.00 0.00 0.00 0.00 54.91 55.43 2qa4 h ALA 140 Cb 2.20 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 20.14 2qa4 h ALA 140 CO -0.11 -0.49 -0.86 0.82 0.00 0.00 0.00 179.25 178.62 2qa4 h ILE 141 N -0.02 1.53 0.00 0.00 5.03 -1.28 -1.56 117.51 121.22 2qa4 h ILE 141 Ca 0.10 -3.03 -0.03 0.00 -0.12 0.00 0.00 64.86 61.78 2qa4 h ILE 141 Cb 0.17 2.67 -0.00 0.00 -3.03 0.00 0.00 36.82 36.63 2qa4 h ILE 141 CO -0.23 0.84 -0.15 1.56 -0.68 0.00 0.00 178.15 179.49 2qa4 h GLN 142 N 0.00 0.00 0.00 2.37 4.20 -1.04 -2.82 115.11 117.82 2qa4 h GLN 142 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 2qa4 h GLN 142 Cb 1.61 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.39 2qa4 h GLN 142 CO 0.11 0.15 -1.69 0.09 -0.67 0.00 0.00 178.83 176.83 2qa4 n ASN 143 N -3.47 0.30 -4.60 1.46 3.02 -0.46 -4.82 115.26 106.69 2qa4 n ASN 143 Ca -0.01 -0.28 -0.43 0.00 -0.03 0.00 0.00 54.58 53.84 2qa4 n ASN 143 Cb 0.32 1.67 -0.02 0.00 -0.61 0.00 0.00 39.78 41.14 2qa4 n ASN 143 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2qa4 s ASP 144 N -4.10 6.49 0.28 6.41 -1.08 -0.59 -4.91 116.67 119.17 2qa4 s ASP 144 Ca -0.03 0.50 0.02 0.00 -0.52 0.00 0.00 52.55 52.52 2qa4 s ASP 144 Cb 0.15 -2.55 0.66 0.00 -1.46 0.00 0.00 42.92 39.71 2qa4 s ASP 144 CO 0.89 -1.37 1.71 0.44 0.52 0.00 0.00 175.17 177.37 2qa4 h ASP 145 N 9.82 0.37 0.45 -0.34 3.32 -1.90 0.25 116.42 128.39 2qa4 h ASP 145 Ca -0.25 0.14 0.00 0.00 0.02 0.00 0.00 57.03 56.94 2qa4 h ASP 145 Cb 1.07 0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.73 2qa4 h ASP 145 CO 1.13 0.06 0.00 0.47 -1.72 0.00 0.00 179.24 179.18 2qa4 n ASP 146 N -5.00 0.00 0.00 6.45 9.92 -1.26 -3.64 116.55 123.02 2qa4 n ASP 146 Ca 0.20 0.32 0.00 0.00 -0.53 0.00 0.00 54.79 54.78 2qa4 n ASP 146 Cb 0.58 -0.41 0.00 0.00 -0.64 0.00 0.00 41.12 40.65 2qa4 n ASP 146 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2qa4 n LEU 147 N -1.41 0.00 -0.21 0.64 4.77 -0.56 -4.93 117.00 115.30 2qa4 n LEU 147 Ca 0.05 -0.07 0.02 0.00 -0.03 0.00 0.00 56.01 55.99 2qa4 n LEU 147 Cb 0.16 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.32 2qa4 n LEU 147 CO 0.14 0.00 0.36 -1.54 -1.33 0.00 0.00 177.39 175.02 2qa4 n SER 148 N -0.34 -0.25 -0.28 -1.43 3.41 0.77 -1.71 113.62 113.80 2qa4 n SER 148 Ca 0.00 0.97 0.31 0.00 -0.26 0.00 0.00 58.87 59.88 2qa4 n SER 148 Cb 0.00 -0.27 0.69 0.00 -0.26 0.00 0.00 64.21 64.37 2qa4 n SER 148 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 2qa4 h TRP 149 N 0.00 0.14 0.00 7.33 5.08 -1.86 -2.02 115.95 124.62 2qa4 h TRP 149 Ca 0.25 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.22 2qa4 h TRP 149 Cb 0.39 -0.04 0.00 0.00 -3.00 0.00 0.00 29.16 26.51 2qa4 h TRP 149 CO -0.45 0.02 0.00 1.51 -1.28 0.00 0.00 178.44 178.24 2qa4 n ILE 150 N -4.30 1.06 0.16 0.12 3.06 -0.69 -1.63 119.36 117.14 2qa4 n ILE 150 Ca 0.23 0.58 0.07 0.00 -2.50 0.00 0.00 62.75 61.14 2qa4 n ILE 150 Cb 1.08 -1.56 0.08 0.00 0.54 0.00 0.00 39.64 39.78 2qa4 n ILE 150 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2qa4 n ALA 152 N -2.18 -0.71 -0.23 0.00 0.00 -0.65 -4.84 120.51 111.90 2qa4 n ALA 152 Ca 0.02 0.46 0.03 0.00 0.00 0.00 0.00 53.44 53.96 2qa4 n ALA 152 Cb 0.64 -2.04 0.15 0.00 0.00 0.00 0.00 19.45 18.20 2qa4 n ALA 152 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2qa4 h ASP 153 N 3.48 0.19 0.00 0.00 3.32 -1.90 -0.69 116.42 120.82 2qa4 h ASP 153 Ca -0.44 0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.72 2qa4 h ASP 153 Cb 1.34 0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.99 2qa4 h ASP 153 CO 0.71 0.08 0.00 -0.90 -1.72 0.00 0.00 179.24 177.41 2qa4 n ASP 154 N -5.04 1.76 0.00 6.45 5.68 -1.26 -0.45 116.55 123.70 2qa4 n ASP 154 Ca 0.12 -1.20 0.00 0.00 -0.50 0.00 0.00 54.79 53.21 2qa4 n ASP 154 Cb 0.37 -0.30 0.00 0.00 -1.14 0.00 0.00 41.12 40.05 2qa4 n ASP 154 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2qa4 n GLN 155 N 0.68 1.34 -2.09 0.11 1.13 -0.27 -5.01 117.38 113.28 2qa4 n GLN 155 Ca 0.00 -0.12 -0.41 0.00 -1.94 0.00 0.00 57.00 54.52 2qa4 n GLN 155 Cb 0.30 -0.50 -0.02 0.00 0.11 0.00 0.00 30.24 30.12 2qa4 n GLN 155 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2qa4 s ALA 156 N -0.23 3.58 -1.43 -1.58 0.00 0.40 -2.76 121.76 119.74 2qa4 s ALA 156 Ca 0.00 1.26 -0.06 0.00 0.00 0.00 0.00 51.96 53.16 2qa4 s ALA 156 Cb 0.00 -3.52 0.04 0.00 0.00 0.00 0.00 23.12 19.64 2qa4 s ALA 156 CO 0.00 -0.67 0.73 -0.25 0.00 0.00 0.00 175.76 175.57 2qa4 n ASP 157 N 2.17 -2.22 -0.07 0.00 8.00 -1.26 -4.90 116.55 118.26 2qa4 n ASP 157 Ca 0.05 -0.87 -0.15 0.00 0.71 0.00 0.00 54.79 54.54 2qa4 n ASP 157 Cb 0.41 -3.66 -0.05 0.00 -0.02 0.00 0.00 41.12 37.80 2qa4 n ASP 157 CO 0.00 0.00 0.00 0.08 -0.39 0.00 0.00 177.20 176.89 2qa4 h ARG 158 N -1.90 0.78 -0.44 -1.24 0.11 -1.91 -3.20 114.38 106.58 2qa4 h ARG 158 Ca -0.60 -0.50 0.10 0.00 0.10 0.00 0.00 59.98 59.08 2qa4 h ARG 158 Cb 1.37 0.06 -0.02 0.00 1.11 0.00 0.00 29.97 32.49 2qa4 h ARG 158 CO 0.63 1.13 0.31 -0.24 0.10 0.00 0.00 179.97 181.90 2qa4 h VAL 159 N 0.52 0.84 0.00 0.08 3.04 -1.87 0.20 116.25 119.06 2qa4 h VAL 159 Ca 0.01 -0.04 -0.00 0.00 -1.01 0.00 0.00 66.70 65.65 2qa4 h VAL 159 Cb 1.11 0.70 -0.00 0.00 -2.01 0.00 0.00 31.29 31.09 2qa4 h VAL 159 CO 0.11 0.02 -0.01 -0.26 -1.01 0.00 0.00 177.57 176.42 2qa4 h PHE 160 N 0.13 0.00 -0.19 3.17 0.05 -1.95 -2.97 116.94 115.18 2qa4 h PHE 160 Ca 0.21 0.00 0.00 0.00 3.82 0.00 0.00 57.97 62.00 2qa4 h PHE 160 Cb 0.66 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.61 2qa4 h PHE 160 CO -0.00 0.01 0.00 0.54 -0.18 0.00 0.00 178.31 178.68 2qa4 n ARG 161 N -3.10 2.24 -0.95 1.51 1.74 0.64 -4.93 116.66 113.81 2qa4 n ARG 161 Ca 0.03 -1.84 0.00 0.00 -0.77 0.00 0.00 57.85 55.27 2qa4 n ARG 161 Cb 0.48 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.45 2qa4 n ARG 161 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qa4 n GLY 162 N 1.36 0.51 0.00 -0.13 0.00 -0.90 -4.94 105.19 101.09 2qa4 n GLY 162 Ca 0.17 -0.15 0.08 0.00 0.00 0.00 0.00 46.02 46.13 2qa4 n GLY 162 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qa4 n LEU 163 N 0.00 0.00 0.00 0.99 4.77 -0.83 -3.22 117.00 118.71 2qa4 n LEU 163 Ca 0.00 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.77 2qa4 n LEU 163 Cb 0.00 0.00 0.19 0.00 -2.33 0.00 0.00 43.42 41.28 2qa4 n LEU 163 CO 0.00 0.00 0.38 0.41 -1.33 0.00 0.00 177.39 176.85 2qa4 n THR 164 N -0.90 0.00 0.04 -5.08 -1.04 -1.26 -4.84 114.28 101.20 2qa4 n THR 164 Ca 0.13 -0.24 -0.22 0.00 -2.04 0.00 0.00 64.05 61.67 2qa4 n THR 164 Cb 0.06 -1.03 -0.14 0.00 -1.82 0.00 0.00 70.33 67.39 2qa4 n THR 164 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 2qa4 h GLY 165 N -2.31 0.37 2.00 3.41 0.00 -1.87 -3.06 103.07 101.61 2qa4 h GLY 165 Ca -0.29 -0.95 -0.00 0.00 0.00 0.00 0.00 47.33 46.08 2qa4 h GLY 165 CO 0.18 0.83 -0.02 0.00 0.00 0.00 0.00 176.54 177.53 2qa4 h ALA 166 N 0.04 1.03 0.24 3.60 0.00 -1.92 -2.41 119.26 119.83 2qa4 h ALA 166 Ca -0.31 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 2qa4 h ALA 166 Cb 1.92 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.71 2qa4 h ALA 166 CO 0.12 0.03 -0.11 0.78 0.00 0.00 0.00 179.25 180.07 2qa4 h GLY 167 N 1.40 -0.33 1.41 0.00 0.00 -1.74 -2.54 103.07 101.27 2qa4 h GLY 167 Ca -0.00 0.12 0.06 0.00 0.00 0.00 0.00 47.33 47.52 2qa4 h GLY 167 CO 0.00 -0.12 0.25 3.21 0.00 0.00 0.00 176.54 179.88 2qa4 h ARG 168 N -1.01 0.22 -0.46 4.80 3.08 -1.41 0.14 114.38 119.74 2qa4 h ARG 168 Ca -0.03 -0.01 -0.12 0.00 0.07 0.00 0.00 59.98 59.88 2qa4 h ARG 168 Cb 0.42 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 2qa4 h ARG 168 CO 0.05 0.15 -0.19 0.00 -1.07 0.00 0.00 179.97 178.91 2qa4 h ARG 169 N 0.23 0.92 -0.05 0.04 3.08 -1.49 -2.06 114.38 115.04 2qa4 h ARG 169 Ca 0.16 -0.37 -0.14 0.00 0.07 0.00 0.00 59.98 59.71 2qa4 h ARG 169 Cb 0.37 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 2qa4 h ARG 169 CO -0.03 1.02 -0.61 -0.97 -1.07 0.00 0.00 179.97 178.32 2qa4 h ASN 170 N 0.80 0.19 0.00 7.04 -1.24 -0.42 -3.01 115.58 118.93 2qa4 h ASN 170 Ca 0.11 -0.11 0.00 0.00 0.71 0.00 0.00 56.30 57.01 2qa4 h ASN 170 Cb 0.74 -0.05 0.00 0.00 0.73 0.00 0.00 38.32 39.74 2qa4 h ASN 170 CO 0.06 0.75 0.00 0.54 -1.29 0.00 0.00 177.43 177.49 2qa4 n ARG 171 N -3.86 0.83 -2.22 6.67 1.74 0.25 -4.87 116.66 115.19 2qa4 n ARG 171 Ca -0.02 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 56.99 2qa4 n ARG 171 Cb 0.61 -1.42 0.00 0.00 -1.02 0.00 0.00 32.46 30.63 2qa4 n ARG 171 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qa4 n GLY 172 N 0.60 0.13 2.33 -0.13 0.00 -1.14 -4.87 105.19 102.12 2qa4 n GLY 172 Ca 0.17 -0.57 -0.32 0.00 0.00 0.00 0.00 46.02 45.30 2qa4 n GLY 172 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qa4 n LEU 173 N -1.12 6.61 -0.05 0.99 4.77 -0.80 -4.70 117.00 122.69 2qa4 n LEU 173 Ca -0.07 -4.58 -0.03 0.00 -0.03 0.00 0.00 56.01 51.30 2qa4 n LEU 173 Cb 0.56 -0.76 -0.01 0.00 -2.33 0.00 0.00 43.42 40.88 2qa4 n LEU 173 CO 0.11 1.77 -0.21 0.28 -1.33 0.00 0.00 177.39 178.01 2qa4 h SER 174 N 2.24 0.00 -3.50 -1.43 0.02 -1.88 -3.46 113.55 105.54 2qa4 h SER 174 Ca 0.51 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 60.93 2qa4 h SER 174 Cb 0.93 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.46 2qa4 h SER 174 CO 1.26 0.53 0.41 -0.83 -1.14 0.00 0.00 176.83 177.06 2qa4 s GLY 175 N -3.69 2.89 0.00 -3.77 0.00 -1.26 -4.91 107.32 96.58 2qa4 s GLY 175 Ca -0.09 0.65 0.27 0.00 0.00 0.00 0.00 44.72 45.54 2qa4 s GLY 175 CO 0.13 1.61 1.93 0.28 0.00 0.00 0.00 173.10 177.05 2qa4 n LYS 176 N 3.04 1.21 0.00 2.90 5.02 -1.26 -4.60 118.16 124.47 2qa4 n LYS 176 Ca 0.04 -0.31 0.00 0.00 -2.02 0.00 0.00 58.31 56.02 2qa4 n LYS 176 Cb 0.49 -1.43 0.00 0.00 -0.02 0.00 0.00 35.03 34.06 2qa4 n LYS 176 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qa4 n GLY 177 N 1.00 3.65 3.47 0.72 0.00 -1.26 -4.95 105.19 107.81 2qa4 n GLY 177 Ca 0.20 -1.72 -0.47 0.00 0.00 0.00 0.00 46.02 44.02 2qa4 n GLY 177 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2qa4 n LYS 178 N 0.00 0.48 0.00 1.61 4.81 -1.26 -2.09 118.16 121.71 2qa4 n LYS 178 Ca 0.00 0.17 0.00 0.00 -0.87 0.00 0.00 58.31 57.61 2qa4 n LYS 178 Cb 0.00 -1.33 0.00 0.00 0.02 0.00 0.00 35.03 33.72 2qa4 n LYS 178 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2qa4 n GLY 179 N 1.74 2.97 0.40 3.14 0.00 -1.26 -4.85 105.19 107.33 2qa4 n GLY 179 Ca 0.15 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.23 2qa4 n GLY 179 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2qa4 n SER 180 N 0.15 1.17 0.06 1.61 3.41 -0.89 -4.11 113.62 115.03 2qa4 n SER 180 Ca 0.00 -1.87 -0.11 0.00 -0.26 0.00 0.00 58.87 56.63 2qa4 n SER 180 Cb 0.00 -0.12 -0.05 0.00 -0.26 0.00 0.00 64.21 63.78 2qa4 n SER 180 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2qa4 h GLU 181 N 1.36 -0.25 0.00 4.33 3.07 -1.89 -2.56 114.58 118.64 2qa4 h GLU 181 Ca 0.00 0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 2qa4 h GLU 181 Cb 0.31 0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.27 2qa4 h GLU 181 CO 0.00 -0.17 0.00 1.63 -1.40 0.00 0.00 179.01 179.07 2qa4 n LYS 182 N -5.28 0.98 -0.00 2.33 4.76 -1.26 -4.01 118.16 115.67 2qa4 n LYS 182 Ca -0.05 0.00 -0.00 0.00 -2.87 0.00 0.00 58.31 55.38 2qa4 n LYS 182 Cb 0.20 -1.24 -0.00 0.00 -1.84 0.00 0.00 35.03 32.14 2qa4 n LYS 182 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 2qa4 n THR 183 N -0.74 0.04 -3.62 -0.18 -2.24 -1.00 -4.57 114.28 101.96 2qa4 n THR 183 Ca 0.11 -0.02 -0.37 0.00 -2.27 0.00 0.00 64.05 61.50 2qa4 n THR 183 Cb 0.05 -0.75 -0.06 0.00 -2.10 0.00 0.00 70.33 67.47 2qa4 n THR 183 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2qa4 s ARG 184 N -2.02 3.87 0.00 -0.78 3.52 -1.00 -1.72 118.95 120.83 2qa4 s ARG 184 Ca -0.00 0.16 0.28 0.00 -0.13 0.00 0.00 55.73 56.04 2qa4 s ARG 184 Cb 0.00 -3.27 1.04 0.00 -1.56 0.00 0.00 34.95 31.16 2qa4 s ARG 184 CO 0.03 0.59 1.77 -0.35 -0.81 0.00 0.00 175.30 176.52 2qa4 n PRO 185 N 2.38 0.16 -3.49 5.12 -0.04 -1.26 -4.95 135.00 132.92 2qa4 n PRO 185 Ca -0.15 -0.05 -0.13 0.00 -0.04 0.00 0.00 63.50 63.13 2qa4 n PRO 185 Cb 0.53 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.45 2qa4 n PRO 185 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2qa4 s SER 186 N -2.87 -0.51 0.16 3.54 1.04 -0.70 -5.06 113.70 109.30 2qa4 s SER 186 Ca 0.17 0.26 -0.12 0.00 0.48 0.00 0.00 55.95 56.75 2qa4 s SER 186 Cb 0.19 0.48 0.03 0.00 0.10 0.00 0.00 66.02 66.82 2qa4 s SER 186 CO 0.56 -0.68 1.63 -0.07 0.98 0.00 0.00 173.24 175.66 2qa4 h LEU 187 N 2.37 0.88 -1.18 2.42 3.38 -1.85 -3.08 115.31 118.25 2qa4 h LEU 187 Ca -0.27 -0.29 -0.07 0.00 0.09 0.00 0.00 57.88 57.34 2qa4 h LEU 187 Cb 1.22 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 2qa4 h LEU 187 CO 0.35 0.95 -0.22 -0.09 0.09 0.00 0.00 178.44 179.53 2qa4 h ARG 188 N 0.79 0.30 -0.02 1.13 2.43 -1.94 0.13 114.38 117.20 2qa4 h ARG 188 Ca 0.16 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 2qa4 h ARG 188 Cb 0.47 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 2qa4 h ARG 188 CO 0.02 0.51 0.00 -1.13 -1.51 0.00 0.00 179.97 177.86 2qa4 n SER 189 N -4.18 0.41 -0.14 -3.80 3.41 -1.17 -2.77 113.62 105.38 2qa4 n SER 189 Ca -0.01 -1.30 0.03 0.00 -0.26 0.00 0.00 58.87 57.34 2qa4 n SER 189 Cb 0.35 -0.01 0.06 0.00 -0.26 0.00 0.00 64.21 64.34 2qa4 n SER 189 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2qa4 n ASN 190 N -0.61 2.27 -1.18 4.04 3.02 -0.81 -4.98 115.26 117.01 2qa4 n ASN 190 Ca 0.19 -2.25 -0.14 0.00 -0.03 0.00 0.00 54.58 52.36 2qa4 n ASN 190 Cb 0.16 -0.13 -0.05 0.00 -0.61 0.00 0.00 39.78 39.15 2qa4 n ASN 190 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qa4 n GLY 191 N -0.54 1.02 3.48 7.41 0.00 -1.05 -3.58 105.19 111.93 2qa4 n GLY 191 Ca 0.05 -0.36 -0.19 0.00 0.00 0.00 0.00 46.02 45.52 2qa4 n GLY 191 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qa4 n GLY 192 N -1.22 -0.43 2.71 -0.02 0.00 0.39 -4.97 105.19 101.65 2qa4 n GLY 192 Ca -0.14 0.16 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 2qa4 n GLY 192 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qa4 n LYS 193 N -4.44 3.04 0.00 1.61 5.02 -1.23 -5.08 118.16 117.07 2qa4 n LYS 193 Ca -0.18 -3.92 0.00 0.00 -2.02 0.00 0.00 58.31 52.19 2qa4 n LYS 193 Cb 0.63 -2.26 0.00 0.00 -0.02 0.00 0.00 35.03 33.38 2qa4 n LYS 193 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88