#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qa4 n THR 2 N 0.00 0.00 -3.03 0.00 -1.04 -1.26 -5.01 114.28 103.94 2qa4 n THR 2 Ca 0.00 1.10 0.00 0.00 -2.04 0.00 0.00 64.05 63.11 2qa4 n THR 2 Cb 0.00 -2.04 0.00 0.00 -1.82 0.00 0.00 70.33 66.47 2qa4 n THR 2 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2qa4 n GLY 3 N -0.36 6.55 0.12 3.41 0.00 -1.26 -5.05 105.19 108.60 2qa4 n GLY 3 Ca 0.00 -1.75 0.13 0.00 0.00 0.00 0.00 46.02 44.39 2qa4 n GLY 3 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2qa4 h PRO 4 N 0.00 0.00 -0.02 1.61 0.11 -2.07 -3.25 132.00 128.38 2qa4 h PRO 4 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2qa4 h PRO 4 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2qa4 h PRO 4 CO 0.00 0.00 -0.07 -2.13 -0.21 0.00 0.00 178.00 175.59 2qa4 n ARG 5 N -2.41 1.81 -2.74 1.05 0.63 -1.26 -4.93 116.66 108.81 2qa4 n ARG 5 Ca 0.04 -1.32 -0.41 0.00 -0.92 0.00 0.00 57.85 55.24 2qa4 n ARG 5 Cb 0.46 -1.47 -0.04 0.00 0.45 0.00 0.00 32.46 31.86 2qa4 n ARG 5 CO 0.00 0.00 0.00 -0.47 -2.51 0.00 0.00 177.63 174.65 2qa4 s TYR 6 N -2.10 3.76 -0.27 -0.14 5.04 -1.23 -5.03 117.35 117.38 2qa4 s TYR 6 Ca 0.31 1.75 -0.14 0.00 -2.44 0.00 0.00 57.07 56.55 2qa4 s TYR 6 Cb 0.20 -3.06 -0.04 0.00 0.35 0.00 0.00 41.96 39.41 2qa4 s TYR 6 CO 0.36 0.15 0.31 0.21 -1.34 0.00 0.00 175.55 175.24 2qa4 s LYS 7 N 0.30 3.99 -0.30 4.97 2.47 -1.26 -4.77 119.74 125.14 2qa4 s LYS 7 Ca 0.48 -0.09 -0.20 0.00 -1.56 0.00 0.00 55.97 54.60 2qa4 s LYS 7 Cb -0.22 -3.66 -0.01 0.00 -1.46 0.00 0.00 37.83 32.48 2qa4 s LYS 7 CO 0.29 -0.25 0.61 0.08 0.16 0.00 0.00 175.35 176.24 2qa4 s VAL 8 N 1.96 4.96 0.78 4.02 1.01 -1.26 -4.95 120.40 126.92 2qa4 s VAL 8 Ca 0.12 0.85 -0.15 0.00 0.00 0.00 0.00 61.98 62.80 2qa4 s VAL 8 Cb -0.16 -3.98 -0.01 0.00 0.00 0.00 0.00 36.38 32.24 2qa4 s VAL 8 CO 0.10 -0.11 0.61 -2.65 0.00 0.00 0.00 175.10 173.05 2qa4 n PRO 9 N 5.83 0.19 -1.28 2.72 -0.02 -1.26 -4.92 135.00 136.25 2qa4 n PRO 9 Ca -0.01 0.11 -0.35 0.00 -2.02 0.00 0.00 63.50 61.22 2qa4 n PRO 9 Cb 0.49 -1.93 0.09 0.00 -0.02 0.00 0.00 33.50 32.13 2qa4 n PRO 9 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 2qa4 n MET 10 N -1.27 0.39 0.06 -0.52 2.81 -1.26 -4.70 117.12 112.63 2qa4 n MET 10 Ca 0.10 0.19 -0.04 0.00 -1.81 0.00 0.00 57.70 56.13 2qa4 n MET 10 Cb 0.51 -2.14 -0.02 0.00 -0.71 0.00 0.00 33.22 30.85 2qa4 n MET 10 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 2qa4 h ARG 11 N -0.41 -0.22 -0.03 0.03 2.43 -2.01 -0.99 114.38 113.19 2qa4 h ARG 11 Ca -0.47 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 2qa4 h ARG 11 Cb 1.33 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.93 2qa4 h ARG 11 CO 0.45 -0.14 0.00 0.54 -1.51 0.00 0.00 179.97 179.31 2qa4 n ARG 12 N -3.08 0.32 -0.08 0.20 1.74 -1.26 -0.98 116.66 113.53 2qa4 n ARG 12 Ca -0.03 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.96 2qa4 n ARG 12 Cb 0.11 -1.02 -0.09 0.00 -1.02 0.00 0.00 32.46 30.44 2qa4 n ARG 12 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2qa4 n ARG 13 N -0.41 1.16 0.31 5.56 3.00 -0.70 -1.96 116.66 123.61 2qa4 n ARG 13 Ca 0.00 0.04 -0.16 0.00 -0.00 0.00 0.00 57.85 57.73 2qa4 n ARG 13 Cb 0.01 -1.34 -0.09 0.00 0.00 0.00 0.00 32.46 31.04 2qa4 n ARG 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2qa4 h ARG 14 N 0.00 -0.73 0.00 -0.14 3.08 0.23 -0.53 114.38 116.30 2qa4 h ARG 14 Ca -0.37 0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.73 2qa4 h ARG 14 Cb 1.72 0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.93 2qa4 h ARG 14 CO -0.02 -0.45 0.00 0.39 -1.07 0.00 0.00 179.97 178.82 2qa4 n GLU 15 N -5.39 0.01 -3.59 0.04 1.02 -1.07 -4.87 120.64 106.80 2qa4 n GLU 15 Ca -0.12 0.35 -0.18 0.00 -0.02 0.00 0.00 57.16 57.18 2qa4 n GLU 15 Cb 0.32 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.25 2qa4 n GLU 15 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2qa4 n ALA 16 N -1.36 -2.71 0.00 0.62 0.00 -0.21 -4.93 120.51 111.92 2qa4 n ALA 16 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.24 2qa4 n ALA 16 Cb 0.01 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.34 2qa4 n ALA 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qa4 n ARG 17 N -2.52 3.41 -3.77 0.00 1.74 -0.83 -5.02 116.66 109.68 2qa4 n ARG 17 Ca -0.22 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.63 2qa4 n ARG 17 Cb 0.63 -0.62 -0.17 0.00 -1.02 0.00 0.00 32.46 31.28 2qa4 n ARG 17 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2qa4 s THR 18 N -0.76 0.39 -0.97 0.55 2.01 -1.03 -4.70 115.64 111.14 2qa4 s THR 18 Ca 0.00 0.05 -0.21 0.00 0.31 0.00 0.00 61.69 61.84 2qa4 s THR 18 Cb 0.00 -0.59 0.08 0.00 0.01 0.00 0.00 72.50 72.01 2qa4 s THR 18 CO 0.00 0.21 1.29 -0.62 -0.69 0.00 0.00 174.62 174.81 2qa4 s ASP 19 N 1.96 6.54 0.51 3.53 -1.08 -1.26 -4.71 116.67 122.16 2qa4 s ASP 19 Ca 0.04 -1.67 0.20 0.00 -0.52 0.00 0.00 52.55 50.60 2qa4 s ASP 19 Cb -0.13 -2.49 1.29 0.00 -1.46 0.00 0.00 42.92 40.13 2qa4 s ASP 19 CO -0.06 -1.32 2.04 1.88 0.52 0.00 0.00 175.17 178.23 2qa4 h TYR 20 N 9.38 0.08 -0.56 -5.34 0.99 -1.97 0.25 116.97 119.81 2qa4 h TYR 20 Ca 0.16 0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.79 2qa4 h TYR 20 Cb 1.02 -0.02 -0.02 0.00 1.00 0.00 0.00 36.73 38.70 2qa4 h TYR 20 CO 1.22 0.04 -0.07 0.45 -0.00 0.00 0.00 178.16 179.80 2qa4 h HIS 21 N 0.07 1.12 0.04 4.88 3.86 -2.00 -1.66 115.15 121.46 2qa4 h HIS 21 Ca 0.18 -0.21 -0.24 0.00 -1.16 0.00 0.00 60.37 58.93 2qa4 h HIS 21 Cb 0.61 -0.29 0.00 0.00 1.06 0.00 0.00 27.41 28.79 2qa4 h HIS 21 CO -0.00 1.02 -1.02 0.37 0.86 0.00 0.00 177.93 179.16 2qa4 h GLN 22 N 0.92 0.35 -0.10 2.45 4.15 -1.59 -3.18 115.11 118.11 2qa4 h GLN 22 Ca 0.15 -0.43 -0.05 0.00 0.77 0.00 0.00 58.65 59.09 2qa4 h GLN 22 Cb 0.62 0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.44 2qa4 h GLN 22 CO 0.04 1.13 -0.18 -0.09 -1.93 0.00 0.00 178.83 177.80 2qa4 h ARG 23 N 0.17 0.15 0.00 1.69 2.43 -0.41 -0.50 114.38 117.92 2qa4 h ARG 23 Ca -0.09 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 58.95 2qa4 h ARG 23 Cb 1.68 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 31.20 2qa4 h ARG 23 CO 0.17 0.34 -0.41 1.25 -1.51 0.00 0.00 179.97 179.80 2qa4 h LEU 24 N 0.15 0.00 0.00 3.80 5.85 -1.30 -2.59 115.31 121.22 2qa4 h LEU 24 Ca 0.03 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.56 2qa4 h LEU 24 Cb 0.41 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 2qa4 h LEU 24 CO 0.03 0.41 -1.13 0.03 -0.34 0.00 0.00 178.44 177.44 2qa4 h ARG 25 N 0.00 0.00 0.29 1.25 3.08 -1.33 -3.26 114.38 114.41 2qa4 h ARG 25 Ca -0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 2qa4 h ARG 25 Cb 0.93 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.98 2qa4 h ARG 25 CO 0.05 0.54 -0.14 -0.07 -1.07 0.00 0.00 179.97 179.28 2qa4 h LEU 26 N 0.00 -0.33 -1.81 3.04 -0.00 -0.94 -3.18 115.31 112.09 2qa4 h LEU 26 Ca -0.11 -0.20 0.00 0.00 -0.00 0.00 0.00 57.88 57.57 2qa4 h LEU 26 Cb 1.65 0.09 0.00 0.00 -0.00 0.00 0.00 40.66 42.40 2qa4 h LEU 26 CO 0.08 0.07 0.06 -0.07 -0.00 0.00 0.00 178.44 178.58 2qa4 h LEU 27 N -0.79 0.00 -2.00 1.67 3.38 -1.60 -2.72 115.31 113.24 2qa4 h LEU 27 Ca -0.04 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 2qa4 h LEU 27 Cb 0.51 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 2qa4 h LEU 27 CO 0.07 0.00 -0.09 0.11 0.09 0.00 0.00 178.44 178.61 2qa4 h LYS 28 N 0.00 0.00 0.00 1.13 1.57 -1.59 -2.16 116.57 115.52 2qa4 h LYS 28 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2qa4 h LYS 28 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 2qa4 h LYS 28 CO 0.00 0.09 0.00 0.66 -0.57 0.00 0.00 179.45 179.63 2qa4 h SER 29 N 0.00 0.00 -0.62 0.86 4.64 -1.68 -3.46 113.55 113.29 2qa4 h SER 29 Ca -0.00 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.05 2qa4 h SER 29 Cb 0.30 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 62.29 2qa4 h SER 29 CO 0.01 0.00 -0.24 0.61 -0.87 0.00 0.00 176.83 176.34 2qa4 n GLY 30 N 0.27 1.36 3.73 -0.77 0.00 -0.81 -4.99 105.19 103.97 2qa4 n GLY 30 Ca 0.02 -0.30 -0.24 0.00 0.00 0.00 0.00 46.02 45.50 2qa4 n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qa4 s LYS 31 N -3.03 2.29 0.76 1.61 1.02 -1.26 -5.11 119.74 116.01 2qa4 s LYS 31 Ca 0.00 -1.67 -0.12 0.00 0.02 0.00 0.00 55.97 54.20 2qa4 s LYS 31 Cb 0.00 -2.09 0.05 0.00 -0.52 0.00 0.00 37.83 35.27 2qa4 s LYS 31 CO 0.00 0.02 1.13 -2.14 -0.92 0.00 0.00 175.35 173.44 2qa4 s PRO 32 N -3.86 2.16 -0.10 -1.68 0.02 -1.26 -4.80 135.00 125.48 2qa4 s PRO 32 Ca 0.39 1.40 -0.03 0.00 0.02 0.00 0.00 61.00 62.77 2qa4 s PRO 32 Cb -0.00 -1.87 -0.04 0.00 0.02 0.00 0.00 34.50 32.61 2qa4 s PRO 32 CO 0.22 -1.75 0.04 1.03 -0.33 0.00 0.00 177.00 176.22 2qa4 s ARG 33 N -4.47 3.13 -0.59 5.54 0.52 0.52 -0.79 118.95 122.82 2qa4 s ARG 33 Ca 0.66 -0.33 -0.11 0.00 -0.52 0.00 0.00 55.73 55.43 2qa4 s ARG 33 Cb -0.21 -2.91 0.15 0.00 0.52 0.00 0.00 34.95 32.50 2qa4 s ARG 33 CO 0.51 0.71 0.49 -1.17 0.02 0.00 0.00 175.30 175.86 2qa4 s LEU 34 N -0.89 5.99 -0.53 2.53 2.96 0.12 -0.33 118.68 128.53 2qa4 s LEU 34 Ca 0.13 -2.21 -0.28 0.00 -0.22 0.00 0.00 54.13 51.56 2qa4 s LEU 34 Cb -0.12 -2.08 0.00 0.00 0.50 0.00 0.00 46.19 44.50 2qa4 s LEU 34 CO 0.03 -0.65 1.58 -0.69 -1.32 0.00 0.00 176.35 175.29 2qa4 s VAL 35 N 0.92 3.64 -0.56 1.68 1.01 -0.16 -0.93 120.40 126.01 2qa4 s VAL 35 Ca 0.10 0.54 -0.17 0.00 0.00 0.00 0.00 61.98 62.44 2qa4 s VAL 35 Cb -0.22 -4.19 0.12 0.00 0.00 0.00 0.00 36.38 32.08 2qa4 s VAL 35 CO -0.02 -0.98 0.59 0.00 0.00 0.00 0.00 175.10 174.68 2qa4 s ALA 36 N 6.85 3.55 0.17 5.51 0.00 -0.50 -1.73 121.76 135.61 2qa4 s ALA 36 Ca 0.60 -2.40 0.10 0.00 0.00 0.00 0.00 51.96 50.26 2qa4 s ALA 36 Cb -0.13 -3.38 -0.04 0.00 0.00 0.00 0.00 23.12 19.57 2qa4 s ALA 36 CO 0.26 -2.16 -0.22 1.03 0.00 0.00 0.00 175.76 174.67 2qa4 s ARG 37 N 2.06 1.41 0.33 0.00 1.81 -0.74 -4.41 118.95 119.42 2qa4 s ARG 37 Ca 0.07 -1.45 0.02 0.00 -1.72 0.00 0.00 55.73 52.65 2qa4 s ARG 37 Cb -0.27 -1.66 -0.01 0.00 -0.45 0.00 0.00 34.95 32.56 2qa4 s ARG 37 CO 0.04 0.36 0.08 1.63 -0.68 0.00 0.00 175.30 176.73 2qa4 n LYS 38 N 0.38 0.79 -3.90 3.54 5.02 -1.26 0.14 118.16 122.87 2qa4 n LYS 38 Ca -0.14 -2.68 -0.09 0.00 -2.02 0.00 0.00 58.31 53.38 2qa4 n LYS 38 Cb 0.56 1.22 -0.05 0.00 -0.02 0.00 0.00 35.03 36.74 2qa4 n LYS 38 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2qa4 s SER 39 N -2.97 -0.15 0.28 4.39 0.15 0.12 -4.81 113.70 110.71 2qa4 s SER 39 Ca 0.11 -0.75 -0.03 0.00 0.70 0.00 0.00 55.95 55.98 2qa4 s SER 39 Cb 0.01 0.59 0.38 0.00 -1.71 0.00 0.00 66.02 65.29 2qa4 s SER 39 CO 0.08 -1.12 1.89 0.78 1.20 0.00 0.00 173.24 176.07 2qa4 h ASN 40 N 2.23 0.92 -0.01 5.45 2.35 -2.00 -3.15 115.58 121.38 2qa4 h ASN 40 Ca -0.26 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.40 2qa4 h ASN 40 Cb 1.25 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 39.39 2qa4 h ASN 40 CO 0.36 0.76 -0.27 0.29 -1.65 0.00 0.00 177.43 176.91 2qa4 n LYS 41 N -4.34 2.05 -3.23 0.81 5.02 -1.26 -4.72 118.16 112.48 2qa4 n LYS 41 Ca 0.07 -0.62 -0.11 0.00 -2.02 0.00 0.00 58.31 55.64 2qa4 n LYS 41 Cb 0.12 -1.14 -0.04 0.00 -0.02 0.00 0.00 35.03 33.95 2qa4 n LYS 41 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2qa4 n HIS 42 N -0.29 -0.44 -3.65 2.13 8.25 -1.19 -2.49 115.22 117.53 2qa4 n HIS 42 Ca 0.05 -1.55 -0.05 0.00 -0.26 0.00 0.00 57.72 55.91 2qa4 n HIS 42 Cb 0.25 0.16 -0.06 0.00 1.12 0.00 0.00 29.99 31.45 2qa4 n HIS 42 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2qa4 s VAL 43 N -2.75 -0.67 0.21 1.59 1.01 -1.25 0.14 120.40 118.68 2qa4 s VAL 43 Ca 0.22 0.05 0.08 0.00 0.00 0.00 0.00 61.98 62.33 2qa4 s VAL 43 Cb 0.01 -0.89 -0.04 0.00 0.00 0.00 0.00 36.38 35.46 2qa4 s VAL 43 CO 0.16 0.02 -0.00 -0.60 0.00 0.00 0.00 175.10 174.67 2qa4 s ARG 44 N 2.50 2.36 -0.24 2.72 3.52 0.12 -1.57 118.95 128.36 2qa4 s ARG 44 Ca -0.06 -1.22 -0.03 0.00 -0.13 0.00 0.00 55.73 54.30 2qa4 s ARG 44 Cb -0.11 -2.29 0.11 0.00 -1.56 0.00 0.00 34.95 31.11 2qa4 s ARG 44 CO -0.17 0.42 0.26 0.00 -0.81 0.00 0.00 175.30 175.01 2qa4 s ALA 45 N -1.92 -0.41 0.37 6.12 0.00 0.40 -1.78 121.76 124.53 2qa4 s ALA 45 Ca 0.29 0.08 0.08 0.00 0.00 0.00 0.00 51.96 52.40 2qa4 s ALA 45 Cb -0.08 -1.54 -0.03 0.00 0.00 0.00 0.00 23.12 21.46 2qa4 s ALA 45 CO 0.19 -1.42 0.27 -0.65 0.00 0.00 0.00 175.76 174.16 2qa4 s GLN 46 N 2.36 2.54 -0.41 0.00 -0.21 -0.71 -1.07 119.66 122.16 2qa4 s GLN 46 Ca 0.09 -1.47 0.02 0.00 0.02 0.00 0.00 55.36 54.01 2qa4 s GLN 46 Cb -0.15 -2.34 0.13 0.00 1.00 0.00 0.00 33.01 31.65 2qa4 s GLN 46 CO -0.21 -0.00 0.21 -0.51 -2.12 0.00 0.00 175.29 172.66 2qa4 s LEU 47 N -3.99 2.58 -0.15 2.90 1.43 -0.57 -0.98 118.68 119.89 2qa4 s LEU 47 Ca 0.42 -2.46 -0.20 0.00 -1.03 0.00 0.00 54.13 50.86 2qa4 s LEU 47 Cb -0.03 -0.99 -0.03 0.00 0.03 0.00 0.00 46.19 45.16 2qa4 s LEU 47 CO 0.26 -0.29 0.58 -0.69 0.23 0.00 0.00 176.35 176.44 2qa4 s VAL 48 N 0.57 5.09 0.20 -1.59 1.01 0.55 -1.20 120.40 125.03 2qa4 s VAL 48 Ca 0.16 1.14 0.07 0.00 0.00 0.00 0.00 61.98 63.35 2qa4 s VAL 48 Cb -0.23 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 2qa4 s VAL 48 CO -0.03 0.21 0.09 0.28 0.00 0.00 0.00 175.10 175.65 2qa4 s THR 49 N 1.30 4.08 0.51 3.92 -1.32 -0.81 -0.35 115.64 122.97 2qa4 s THR 49 Ca 0.29 -1.40 -0.21 0.00 -1.21 0.00 0.00 61.69 59.17 2qa4 s THR 49 Cb -0.16 -3.12 -0.07 0.00 -1.51 0.00 0.00 72.50 67.65 2qa4 s THR 49 CO 0.12 -0.21 1.13 -0.22 -2.21 0.00 0.00 174.62 173.23 2qa4 s LEU 50 N -3.33 3.84 0.11 9.08 2.96 -1.26 -2.11 118.68 127.97 2qa4 s LEU 50 Ca 0.30 2.19 -0.13 0.00 -0.22 0.00 0.00 54.13 56.28 2qa4 s LEU 50 Cb -0.09 -4.47 0.02 0.00 0.50 0.00 0.00 46.19 42.15 2qa4 s LEU 50 CO 0.22 -1.09 0.32 -0.83 -1.32 0.00 0.00 176.35 173.65 2qa4 s GLY 51 N -1.66 -0.13 0.12 7.98 0.00 -1.25 -4.67 107.32 107.70 2qa4 s GLY 51 Ca 0.69 -0.26 -0.33 0.00 0.00 0.00 0.00 44.72 44.82 2qa4 s GLY 51 CO 0.29 -0.49 1.54 -2.55 0.00 0.00 0.00 173.10 171.88 2qa4 h PRO 52 N 2.55 -0.53 -0.63 2.90 0.11 -1.99 -3.01 132.00 131.40 2qa4 h PRO 52 Ca -0.34 0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.81 2qa4 h PRO 52 Cb 1.23 0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.46 2qa4 h PRO 52 CO 0.50 -0.36 0.00 0.09 -0.21 0.00 0.00 178.00 178.03 2qa4 n ASN 53 N -5.37 4.12 0.00 -2.05 3.02 -1.26 -5.04 115.26 108.67 2qa4 n ASN 53 Ca -0.06 -2.21 0.00 0.00 -0.03 0.00 0.00 54.58 52.29 2qa4 n ASN 53 Cb 0.37 -0.49 0.00 0.00 -0.61 0.00 0.00 39.78 39.05 2qa4 n ASN 53 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qa4 n GLY 54 N 1.21 3.28 3.68 7.41 0.00 -1.14 -5.09 105.19 114.54 2qa4 n GLY 54 Ca 0.23 -1.73 -0.51 0.00 0.00 0.00 0.00 46.02 44.01 2qa4 n GLY 54 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2qa4 n ASP 55 N 0.00 2.84 -4.41 1.61 8.00 -1.26 -3.83 116.55 119.49 2qa4 n ASP 55 Ca 0.00 1.04 -0.44 0.00 0.71 0.00 0.00 54.79 56.10 2qa4 n ASP 55 Cb 0.00 -1.29 -0.08 0.00 -0.02 0.00 0.00 41.12 39.73 2qa4 n ASP 55 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 2qa4 s ASP 56 N 2.93 6.14 -0.03 -2.24 1.01 -0.89 -4.95 116.67 118.64 2qa4 s ASP 56 Ca 0.91 -1.20 -0.30 0.00 0.71 0.00 0.00 52.55 52.67 2qa4 s ASP 56 Cb -0.84 -2.18 -0.03 0.00 1.01 0.00 0.00 42.92 40.88 2qa4 s ASP 56 CO 0.53 -0.60 1.13 -0.89 0.21 0.00 0.00 175.17 175.55 2qa4 s THR 57 N 1.68 4.39 -0.06 -1.27 2.01 -1.26 -1.92 115.64 119.21 2qa4 s THR 57 Ca 0.05 1.70 -0.04 0.00 0.31 0.00 0.00 61.69 63.71 2qa4 s THR 57 Cb -0.23 -4.09 -0.01 0.00 0.01 0.00 0.00 72.50 68.18 2qa4 s THR 57 CO 0.08 0.05 -0.07 -0.07 -0.69 0.00 0.00 174.62 173.92 2qa4 h LEU 58 N 7.65 0.00 -7.96 4.42 4.07 -1.55 -3.49 115.31 118.46 2qa4 h LEU 58 Ca -0.36 0.00 -0.44 0.00 0.08 0.00 0.00 57.88 57.15 2qa4 h LEU 58 Cb 1.18 0.00 -0.32 0.00 1.08 0.00 0.00 40.66 42.60 2qa4 h LEU 58 CO 0.84 0.31 -0.79 0.00 -1.08 0.00 0.00 178.44 177.72 2qa4 s ALA 59 N -2.88 0.93 0.40 1.53 0.00 -1.26 -5.00 121.76 115.49 2qa4 s ALA 59 Ca -0.06 -0.32 0.03 0.00 0.00 0.00 0.00 51.96 51.61 2qa4 s ALA 59 Cb 0.01 -0.38 -0.01 0.00 0.00 0.00 0.00 23.12 22.74 2qa4 s ALA 59 CO 0.09 0.12 0.11 -1.13 0.00 0.00 0.00 175.76 174.95 2qa4 n SER 60 N 3.47 1.67 -3.58 0.00 3.41 -1.26 -1.52 113.62 115.80 2qa4 n SER 60 Ca -0.20 -3.05 -0.02 0.00 -0.26 0.00 0.00 58.87 55.34 2qa4 n SER 60 Cb 0.53 0.83 -0.06 0.00 -0.26 0.00 0.00 64.21 65.26 2qa4 n SER 60 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qa4 s ALA 61 N -2.99 -2.31 0.10 7.33 0.00 -0.23 -4.51 121.76 119.15 2qa4 s ALA 61 Ca 0.15 2.21 0.06 0.00 0.00 0.00 0.00 51.96 54.38 2qa4 s ALA 61 Cb 0.01 -1.76 -0.04 0.00 0.00 0.00 0.00 23.12 21.33 2qa4 s ALA 61 CO 0.11 -0.56 -0.03 -1.58 0.00 0.00 0.00 175.76 173.70 2qa4 s HIS 62 N 1.81 2.92 -0.29 0.00 2.46 -1.26 -0.45 115.29 120.47 2qa4 s HIS 62 Ca -0.07 -0.07 0.27 0.00 0.47 0.00 0.00 55.06 55.66 2qa4 s HIS 62 Cb -0.05 -1.50 1.10 0.00 -0.13 0.00 0.00 32.58 32.00 2qa4 s HIS 62 CO -0.17 0.47 1.81 0.66 -2.47 0.00 0.00 174.74 175.04 2qa4 h SER 63 N 3.43 0.00 0.11 9.88 4.64 -1.63 -3.19 113.55 126.79 2qa4 h SER 63 Ca -0.48 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 60.67 2qa4 h SER 63 Cb 1.17 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.28 2qa4 h SER 63 CO 0.58 0.00 -0.75 0.77 -0.87 0.00 0.00 176.83 176.56 2qa4 h SER 64 N 0.00 0.46 0.00 4.97 4.64 -1.92 -3.24 113.55 118.47 2qa4 h SER 64 Ca 0.00 -0.92 0.00 0.00 -0.47 0.00 0.00 61.79 60.40 2qa4 h SER 64 Cb 0.44 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 2qa4 h SER 64 CO 0.00 1.35 0.00 -0.90 -0.87 0.00 0.00 176.83 176.41 2qa4 n ASP 65 N -4.16 2.25 -0.05 4.97 5.75 -1.21 -1.99 116.55 122.11 2qa4 n ASP 65 Ca -0.13 -1.82 0.01 0.00 -0.01 0.00 0.00 54.79 52.84 2qa4 n ASP 65 Cb 0.78 -0.45 -0.16 0.00 -1.03 0.00 0.00 41.12 40.26 2qa4 n ASP 65 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 2qa4 n LEU 66 N 0.41 0.00 0.13 -2.12 7.94 -1.22 -4.03 117.00 118.11 2qa4 n LEU 66 Ca 0.00 0.00 0.03 0.00 -1.11 0.00 0.00 56.01 54.93 2qa4 n LEU 66 Cb 0.39 0.24 0.40 0.00 0.53 0.00 0.00 43.42 44.99 2qa4 n LEU 66 CO 0.00 0.24 0.89 0.00 -1.11 0.00 0.00 177.39 177.41 2qa4 h ALA 67 N 1.47 1.52 0.00 1.96 0.00 -1.59 -1.64 119.26 120.98 2qa4 h ALA 67 Ca -0.27 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2qa4 h ALA 67 Cb 1.60 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.31 2qa4 h ALA 67 CO 0.01 0.34 0.08 -1.91 0.00 0.00 0.00 179.25 177.77 2qa4 n GLU 68 N -4.27 0.00 0.00 0.00 2.13 -1.26 -0.34 120.64 116.90 2qa4 n GLU 68 Ca -0.01 0.39 0.02 0.00 0.66 0.00 0.00 57.16 58.21 2qa4 n GLU 68 Cb 0.27 -1.58 0.00 0.00 0.27 0.00 0.00 31.44 30.40 2qa4 n GLU 68 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 2qa4 n TYR 69 N -1.38 0.00 0.00 4.31 4.02 -0.62 -4.99 117.16 118.50 2qa4 n TYR 69 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 2qa4 n TYR 69 Cb 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.40 2qa4 n TYR 69 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2qa4 n GLY 70 N 0.50 0.36 3.67 2.72 0.00 0.54 -5.05 105.19 107.92 2qa4 n GLY 70 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 2qa4 n GLY 70 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2qa4 s TRP 71 N -1.27 2.86 -0.44 1.61 -0.11 -1.21 -4.90 118.94 115.49 2qa4 s TRP 71 Ca 0.00 0.96 0.05 0.00 1.22 0.00 0.00 56.10 58.33 2qa4 s TRP 71 Cb 0.00 -3.54 -0.01 0.00 -1.50 0.00 0.00 33.47 28.42 2qa4 s TRP 71 CO 0.00 -1.89 0.42 -1.91 -4.62 0.00 0.00 176.95 168.95 2qa4 n GLU 72 N 6.13 2.76 -2.48 5.86 2.13 -1.26 -4.39 120.64 129.39 2qa4 n GLU 72 Ca 0.13 -0.39 -0.23 0.00 0.66 0.00 0.00 57.16 57.33 2qa4 n GLU 72 Cb 0.45 -0.90 0.07 0.00 0.27 0.00 0.00 31.44 31.33 2qa4 n GLU 72 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2qa4 s ALA 73 N -0.98 3.58 0.82 4.31 0.00 -1.26 -4.96 121.76 123.27 2qa4 s ALA 73 Ca 0.04 -1.33 -0.13 0.00 0.00 0.00 0.00 51.96 50.54 2qa4 s ALA 73 Cb 0.04 -2.23 0.06 0.00 0.00 0.00 0.00 23.12 21.00 2qa4 s ALA 73 CO 0.14 -1.16 1.00 -2.30 0.00 0.00 0.00 175.76 173.43 2qa4 n PRO 74 N -2.69 0.09 -0.16 0.00 -0.02 -1.26 -4.96 135.00 126.00 2qa4 n PRO 74 Ca 0.10 0.10 0.07 0.00 -2.02 0.00 0.00 63.50 61.75 2qa4 n PRO 74 Cb 0.60 -2.27 0.15 0.00 -0.02 0.00 0.00 33.50 31.96 2qa4 n PRO 74 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2qa4 n THR 75 N -3.28 0.71 -1.25 3.45 -2.24 -1.26 -4.53 114.28 105.87 2qa4 n THR 75 Ca 0.12 -0.85 -0.08 0.00 -2.27 0.00 0.00 64.05 60.96 2qa4 n THR 75 Cb 0.51 0.73 0.22 0.00 -2.10 0.00 0.00 70.33 69.69 2qa4 n THR 75 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qa4 n GLY 76 N 0.77 4.44 0.00 3.38 0.00 -1.04 -3.88 105.19 108.87 2qa4 n GLY 76 Ca 0.13 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 45.02 2qa4 n GLY 76 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2qa4 n ASN 77 N -0.86 1.57 -0.04 1.61 0.23 -1.26 -4.89 115.26 111.61 2qa4 n ASN 77 Ca 0.41 -0.46 -0.14 0.00 -0.53 0.00 0.00 54.58 53.85 2qa4 n ASN 77 Cb 1.27 0.00 -0.12 0.00 -2.08 0.00 0.00 39.78 38.85 2qa4 n ASN 77 CO 0.00 0.00 0.00 0.24 -0.93 0.00 0.00 177.26 176.57 2qa4 h MET 78 N 0.00 0.04 -0.52 -3.83 2.86 -1.89 -2.53 114.93 109.05 2qa4 h MET 78 Ca 0.00 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.56 2qa4 h MET 78 Cb 0.00 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 2qa4 h MET 78 CO 0.00 0.83 0.19 -1.35 1.06 0.00 0.00 176.91 177.63 2qa4 h PRO 79 N -0.73 0.80 -0.65 -0.22 0.11 -1.82 0.48 132.00 129.97 2qa4 h PRO 79 Ca -0.01 -0.16 0.03 0.00 0.11 0.00 0.00 66.00 65.98 2qa4 h PRO 79 Cb 0.85 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 31.79 2qa4 h PRO 79 CO 0.01 0.72 0.40 1.03 -0.21 0.00 0.00 178.00 179.95 2qa4 h SER 80 N 0.71 0.64 -0.45 -2.05 0.87 -1.87 -2.12 113.55 109.28 2qa4 h SER 80 Ca 0.17 0.01 -0.11 0.00 -1.23 0.00 0.00 61.79 60.63 2qa4 h SER 80 Cb 0.24 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 2qa4 h SER 80 CO -0.01 0.44 -0.15 0.00 -0.53 0.00 0.00 176.83 176.58 2qa4 h ALA 81 N 1.29 0.63 -0.17 6.23 0.00 -0.98 -1.71 119.26 124.54 2qa4 h ALA 81 Ca 0.27 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2qa4 h ALA 81 Cb 0.05 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2qa4 h ALA 81 CO -0.12 0.56 0.07 -0.92 0.00 0.00 0.00 179.25 178.84 2qa4 h TYR 82 N 0.74 0.26 -0.34 0.00 3.20 -0.72 -2.50 116.97 117.61 2qa4 h TYR 82 Ca 0.11 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.95 2qa4 h TYR 82 Cb 0.71 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.88 2qa4 h TYR 82 CO 0.05 0.32 0.19 -0.07 -1.64 0.00 0.00 178.16 177.02 2qa4 h LEU 83 N 0.13 0.43 -2.30 2.82 3.38 -1.37 -0.11 115.31 118.29 2qa4 h LEU 83 Ca 0.06 -0.08 0.03 0.00 0.09 0.00 0.00 57.88 57.98 2qa4 h LEU 83 Cb 0.17 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 2qa4 h LEU 83 CO -0.00 0.38 0.11 0.74 0.09 0.00 0.00 178.44 179.75 2qa4 h THR 84 N 0.44 0.54 0.24 0.22 2.02 -1.27 0.34 112.91 115.43 2qa4 h THR 84 Ca 0.12 0.00 -0.34 0.00 0.77 0.00 0.00 66.41 66.96 2qa4 h THR 84 Cb 0.05 0.91 0.03 0.00 -1.74 0.00 0.00 68.15 67.40 2qa4 h THR 84 CO -0.02 0.00 -1.53 1.23 0.37 0.00 0.00 175.52 175.57 2qa4 h GLY 85 N 0.00 0.58 1.51 2.16 0.00 -0.89 -2.94 103.07 103.48 2qa4 h GLY 85 Ca 0.05 -1.48 -0.10 0.00 0.00 0.00 0.00 47.33 45.79 2qa4 h GLY 85 CO -0.00 1.30 -0.25 -2.00 0.00 0.00 0.00 176.54 175.59 2qa4 h LEU 86 N 0.14 0.58 -0.28 3.11 5.85 0.86 -2.24 115.31 123.32 2qa4 h LEU 86 Ca -0.27 -0.20 -0.09 0.00 0.84 0.00 0.00 57.88 58.16 2qa4 h LEU 86 Cb 2.15 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 43.02 2qa4 h LEU 86 CO 0.26 0.82 -0.16 0.25 -0.34 0.00 0.00 178.44 179.26 2qa4 h LEU 87 N 0.50 0.64 -1.02 2.25 5.85 -0.52 -2.34 115.31 120.67 2qa4 h LEU 87 Ca 0.07 -0.42 0.00 0.00 0.84 0.00 0.00 57.88 58.37 2qa4 h LEU 87 Cb 0.70 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.55 2qa4 h LEU 87 CO 0.05 0.92 0.00 0.00 -0.34 0.00 0.00 178.44 179.07 2qa4 h ALA 88 N 0.74 1.00 0.00 1.25 0.00 -1.40 -1.79 119.26 119.05 2qa4 h ALA 88 Ca 0.06 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.77 2qa4 h ALA 88 Cb 0.69 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 2qa4 h ALA 88 CO 0.05 0.00 -1.40 0.78 0.00 0.00 0.00 179.25 178.68 2qa4 h GLY 89 N 1.86 0.00 0.35 0.00 0.00 -1.15 -3.23 103.07 100.90 2qa4 h GLY 89 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 2qa4 h GLY 89 CO 0.00 0.00 -0.40 1.41 0.00 0.00 0.00 176.54 177.55 2qa4 h LEU 90 N 0.00 0.24 -2.12 3.11 3.38 -0.82 -2.11 115.31 117.00 2qa4 h LEU 90 Ca -0.17 -0.97 -0.02 0.00 0.09 0.00 0.00 57.88 56.81 2qa4 h LEU 90 Cb 1.68 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 42.35 2qa4 h LEU 90 CO 0.06 1.19 -0.08 0.03 0.09 0.00 0.00 178.44 179.73 2qa4 h ARG 91 N -0.68 0.00 -0.05 1.13 3.08 -1.55 -2.04 114.38 114.27 2qa4 h ARG 91 Ca -0.07 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.81 2qa4 h ARG 91 Cb 1.31 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.37 2qa4 h ARG 91 CO 0.08 0.08 -0.65 0.00 -1.07 0.00 0.00 179.97 178.40 2qa4 h ALA 92 N 1.92 0.15 -0.78 0.04 0.00 -1.57 -2.98 119.26 116.05 2qa4 h ALA 92 Ca -0.00 -0.57 0.15 0.00 0.00 0.00 0.00 54.91 54.49 2qa4 h ALA 92 Cb 0.23 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 2qa4 h ALA 92 CO 0.01 0.44 0.52 1.96 0.00 0.00 0.00 179.25 182.18 2qa4 h GLN 93 N 0.11 0.44 -0.15 0.00 1.08 -0.65 -0.83 115.11 115.11 2qa4 h GLN 93 Ca -0.07 -0.03 -0.10 0.00 -1.45 0.00 0.00 58.65 57.01 2qa4 h GLN 93 Cb 1.32 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 28.64 2qa4 h GLN 93 CO 0.13 0.29 -0.34 0.93 -0.95 0.00 0.00 178.83 178.89 2qa4 h GLU 94 N 0.45 0.31 -0.00 1.46 4.39 -1.36 -3.06 114.58 116.77 2qa4 h GLU 94 Ca 0.39 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.95 2qa4 h GLU 94 Cb 0.85 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.49 2qa4 h GLU 94 CO -0.13 0.62 -0.03 0.00 -1.16 0.00 0.00 179.01 178.31 2qa4 n ALA 95 N -2.48 2.41 0.00 3.43 0.00 -0.34 -4.90 120.51 118.63 2qa4 n ALA 95 Ca -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2qa4 n ALA 95 Cb 0.44 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.44 2qa4 n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qa4 n GLY 96 N 1.48 0.56 3.75 0.00 0.00 -1.14 -5.08 105.19 104.76 2qa4 n GLY 96 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 2qa4 n GLY 96 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qa4 s VAL 97 N -2.00 3.07 0.00 1.61 1.01 -1.06 -4.92 120.40 118.10 2qa4 s VAL 97 Ca 0.00 0.94 0.00 0.00 0.00 0.00 0.00 61.98 62.92 2qa4 s VAL 97 Cb 0.00 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.78 2qa4 s VAL 97 CO 0.00 0.17 0.05 -0.62 0.00 0.00 0.00 175.10 174.70 2qa4 n GLU 98 N 2.03 3.06 -3.58 2.72 1.02 -1.26 -4.23 120.64 120.39 2qa4 n GLU 98 Ca 0.04 -0.05 -0.13 0.00 -0.02 0.00 0.00 57.16 57.00 2qa4 n GLU 98 Cb 0.42 -0.36 -0.05 0.00 -0.02 0.00 0.00 31.44 31.43 2qa4 n GLU 98 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 2qa4 s GLU 99 N -0.45 1.04 0.05 3.49 -1.05 -1.26 -1.15 118.70 119.36 2qa4 s GLU 99 Ca 0.00 -0.29 -0.28 0.00 -0.15 0.00 0.00 54.97 54.26 2qa4 s GLU 99 Cb 0.00 0.47 0.09 0.00 -0.44 0.00 0.00 34.13 34.25 2qa4 s GLU 99 CO 0.00 -0.38 0.98 0.00 0.95 0.00 0.00 175.26 176.81 2qa4 s ALA 100 N -2.58 -1.81 0.47 -0.84 0.00 -0.89 -4.14 121.76 111.97 2qa4 s ALA 100 Ca -0.05 0.66 0.05 0.00 0.00 0.00 0.00 51.96 52.63 2qa4 s ALA 100 Cb -0.01 0.47 -0.02 0.00 0.00 0.00 0.00 23.12 23.56 2qa4 s ALA 100 CO -0.03 -0.86 0.18 0.08 0.00 0.00 0.00 175.76 175.13 2qa4 s VAL 101 N -3.08 1.84 -0.23 0.00 1.01 0.03 -4.16 120.40 115.81 2qa4 s VAL 101 Ca 0.09 -1.75 -0.08 0.00 0.00 0.00 0.00 61.98 60.25 2qa4 s VAL 101 Cb -0.01 -2.58 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 2qa4 s VAL 101 CO -0.04 0.00 0.08 -0.22 0.00 0.00 0.00 175.10 174.93 2qa4 s LEU 102 N -3.97 3.63 -0.73 3.92 2.96 -1.26 0.14 118.68 123.37 2qa4 s LEU 102 Ca 0.30 -0.09 -0.05 0.00 -0.22 0.00 0.00 54.13 54.07 2qa4 s LEU 102 Cb 0.02 -1.96 0.19 0.00 0.50 0.00 0.00 46.19 44.94 2qa4 s LEU 102 CO 0.17 0.03 0.58 -0.62 -1.32 0.00 0.00 176.35 175.19 2qa4 s ASP 103 N 1.23 5.70 0.00 3.68 -1.08 -0.10 -4.89 116.67 121.22 2qa4 s ASP 103 Ca 0.05 -3.01 0.00 0.00 -0.52 0.00 0.00 52.55 49.07 2qa4 s ASP 103 Cb -0.14 -1.94 0.02 0.00 -1.46 0.00 0.00 42.92 39.40 2qa4 s ASP 103 CO 0.04 -0.37 0.81 2.30 0.52 0.00 0.00 175.17 178.48 2qa4 n ILE 104 N 3.33 0.00 -0.99 4.11 -5.35 -1.26 -1.41 119.36 117.78 2qa4 n ILE 104 Ca 0.12 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.60 2qa4 n ILE 104 Cb 0.39 -0.11 0.00 0.00 -1.74 0.00 0.00 39.64 38.19 2qa4 n ILE 104 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2qa4 n GLY 105 N 0.30 2.85 2.00 3.28 0.00 -1.26 -1.38 105.19 110.98 2qa4 n GLY 105 Ca 0.00 -0.15 -0.21 0.00 0.00 0.00 0.00 46.02 45.66 2qa4 n GLY 105 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qa4 n LEU 106 N 0.00 6.40 -4.82 0.99 4.77 -1.26 -4.91 117.00 118.17 2qa4 n LEU 106 Ca 0.00 -3.41 -0.36 0.00 -0.03 0.00 0.00 56.01 52.22 2qa4 n LEU 106 Cb 0.00 -0.88 -0.07 0.00 -2.33 0.00 0.00 43.42 40.14 2qa4 n LEU 106 CO 0.00 1.12 -0.21 0.20 -1.33 0.00 0.00 177.39 177.17 2qa4 s ASN 107 N -0.74 6.00 0.25 -1.43 0.02 -0.48 -5.09 114.94 113.48 2qa4 s ASN 107 Ca 0.44 0.33 -0.30 0.00 -1.02 0.00 0.00 52.86 52.32 2qa4 s ASN 107 Cb 0.36 -1.85 -0.09 0.00 0.02 0.00 0.00 41.25 39.68 2qa4 s ASN 107 CO 0.04 0.37 1.24 -0.44 0.02 0.00 0.00 177.10 178.32 2qa4 s SER 108 N -1.18 6.98 0.00 -1.22 0.01 -1.26 -4.92 113.70 112.11 2qa4 s SER 108 Ca 0.17 2.42 0.00 0.00 1.31 0.00 0.00 55.95 59.85 2qa4 s SER 108 Cb -0.12 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.49 2qa4 s SER 108 CO 0.06 -0.41 0.20 -2.65 0.41 0.00 0.00 173.24 170.86 2qa4 n PRO 109 N 1.73 0.34 -1.76 12.44 -0.02 -1.26 -4.92 135.00 141.54 2qa4 n PRO 109 Ca 0.02 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.09 2qa4 n PRO 109 Cb 0.43 -1.13 -0.02 0.00 -0.02 0.00 0.00 33.50 32.75 2qa4 n PRO 109 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2qa4 s THR 110 N -1.20 2.07 0.40 3.45 2.01 -1.26 -4.95 115.64 116.17 2qa4 s THR 110 Ca 0.00 0.06 -0.26 0.00 0.31 0.00 0.00 61.69 61.80 2qa4 s THR 110 Cb 0.00 -3.04 -0.11 0.00 0.01 0.00 0.00 72.50 69.37 2qa4 s THR 110 CO 0.00 0.01 1.19 -2.65 -0.69 0.00 0.00 174.62 172.48 2qa4 n PRO 111 N 3.10 1.77 -0.99 4.92 -0.02 -1.26 -2.28 135.00 140.24 2qa4 n PRO 111 Ca 0.12 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 2qa4 n PRO 111 Cb 0.36 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 2qa4 n PRO 111 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qa4 n GLY 112 N 0.93 0.33 3.76 -1.23 0.00 -1.13 -4.94 105.19 102.91 2qa4 n GLY 112 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 2qa4 n GLY 112 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qa4 s SER 113 N -2.03 4.76 0.25 1.61 0.01 -0.96 -4.66 113.70 112.67 2qa4 s SER 113 Ca 0.00 2.02 -0.04 0.00 1.31 0.00 0.00 55.95 59.24 2qa4 s SER 113 Cb 0.00 -2.55 0.43 0.00 0.21 0.00 0.00 66.02 64.11 2qa4 s SER 113 CO 0.00 -1.87 1.79 0.11 0.41 0.00 0.00 173.24 173.69 2qa4 h LYS 114 N -0.34 0.70 -0.85 12.44 1.57 -1.94 0.15 116.57 128.31 2qa4 h LYS 114 Ca -0.46 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 58.32 2qa4 h LYS 114 Cb 1.25 -0.16 -0.05 0.00 0.08 0.00 0.00 32.23 33.35 2qa4 h LYS 114 CO 0.52 0.47 0.54 -0.39 -0.57 0.00 0.00 179.45 180.02 2qa4 h VAL 115 N 0.73 1.10 0.00 0.50 -1.51 -1.93 0.41 116.25 115.54 2qa4 h VAL 115 Ca 0.41 -0.35 -0.08 0.00 -1.23 0.00 0.00 66.70 65.45 2qa4 h VAL 115 Cb 0.44 -0.01 -0.01 0.00 -2.13 0.00 0.00 31.29 29.58 2qa4 h VAL 115 CO -0.28 0.19 -0.37 -0.26 -1.23 0.00 0.00 177.57 175.62 2qa4 h PHE 116 N 1.02 0.00 0.01 5.19 0.05 -1.29 -1.06 116.94 120.86 2qa4 h PHE 116 Ca 0.35 0.00 -0.21 0.00 3.82 0.00 0.00 57.97 61.93 2qa4 h PHE 116 Cb 0.07 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.01 2qa4 h PHE 116 CO -0.03 0.37 -0.91 0.00 -0.18 0.00 0.00 178.31 177.56 2qa4 h ALA 117 N 1.63 0.45 -0.10 2.45 0.00 0.13 -2.14 119.26 121.68 2qa4 h ALA 117 Ca -0.00 -0.73 -0.00 0.00 0.00 0.00 0.00 54.91 54.17 2qa4 h ALA 117 Cb 0.75 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 2qa4 h ALA 117 CO 0.05 0.89 0.04 0.82 0.00 0.00 0.00 179.25 181.06 2qa4 h ILE 118 N 0.14 1.13 -0.24 0.00 2.04 0.40 -1.88 117.51 119.11 2qa4 h ILE 118 Ca -0.06 -0.39 0.05 0.00 1.00 0.00 0.00 64.86 65.46 2qa4 h ILE 118 Cb 1.55 1.21 -0.05 0.00 -0.74 0.00 0.00 36.82 38.79 2qa4 h ILE 118 CO 0.14 0.12 -0.08 -0.61 0.00 0.00 0.00 178.15 177.72 2qa4 h GLN 119 N 0.02 -0.03 -0.95 2.37 4.15 -1.20 -0.56 115.11 118.92 2qa4 h GLN 119 Ca 0.03 0.00 0.14 0.00 0.77 0.00 0.00 58.65 59.59 2qa4 h GLN 119 Cb 0.15 0.01 -0.08 0.00 0.21 0.00 0.00 27.48 27.76 2qa4 h GLN 119 CO -0.00 -0.02 0.60 1.49 -1.93 0.00 0.00 178.83 178.97 2qa4 h GLU 120 N -0.03 0.80 0.47 1.69 4.81 -1.17 -2.43 114.58 118.72 2qa4 h GLU 120 Ca 0.12 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.28 2qa4 h GLU 120 Cb 0.22 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.42 2qa4 h GLU 120 CO -0.27 0.53 -0.23 0.78 -0.73 0.00 0.00 179.01 179.10 2qa4 h GLY 121 N 0.82 -0.66 1.11 1.92 0.00 -0.28 -2.77 103.07 103.21 2qa4 h GLY 121 Ca 0.48 0.25 -0.03 0.00 0.00 0.00 0.00 47.33 48.02 2qa4 h GLY 121 CO -0.24 -0.24 0.38 0.00 0.00 0.00 0.00 176.54 176.44 2qa4 h ALA 122 N -0.24 1.16 -0.06 3.60 0.00 -1.17 -2.93 119.26 119.62 2qa4 h ALA 122 Ca -0.06 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.72 2qa4 h ALA 122 Cb 0.53 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 2qa4 h ALA 122 CO 0.11 0.64 -0.24 0.82 0.00 0.00 0.00 179.25 180.57 2qa4 h ILE 123 N 1.14 0.44 -0.11 0.00 2.04 -1.42 -0.46 117.51 119.15 2qa4 h ILE 123 Ca 0.28 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.17 2qa4 h ILE 123 Cb 0.12 0.44 -0.00 0.00 -0.74 0.00 0.00 36.82 36.63 2qa4 h ILE 123 CO -0.03 0.00 0.18 0.44 0.00 0.00 0.00 178.15 178.74 2qa4 h ASP 124 N -0.34 0.00 -0.08 1.72 3.32 -1.32 -1.67 116.42 118.05 2qa4 h ASP 124 Ca 0.08 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 2qa4 h ASP 124 Cb 0.45 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.00 2qa4 h ASP 124 CO -0.25 0.00 -0.00 0.00 -1.72 0.00 0.00 179.24 177.27 2qa4 h ALA 125 N 1.73 0.10 0.00 3.45 0.00 -0.92 -3.47 119.26 120.16 2qa4 h ALA 125 Ca 0.05 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2qa4 h ALA 125 Cb 0.42 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2qa4 h ALA 125 CO -0.00 -0.21 0.00 0.41 0.00 0.00 0.00 179.25 179.44 2qa4 n GLY 126 N -0.25 -0.08 3.89 0.00 0.00 -0.64 -4.91 105.19 103.20 2qa4 n GLY 126 Ca -0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 2qa4 n GLY 126 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qa4 s LEU 127 N 0.00 3.44 -0.39 0.99 1.02 -1.19 -4.95 118.68 117.60 2qa4 s LEU 127 Ca 0.00 1.15 -0.09 0.00 0.02 0.00 0.00 54.13 55.21 2qa4 s LEU 127 Cb 0.00 -4.15 0.05 0.00 0.02 0.00 0.00 46.19 42.11 2qa4 s LEU 127 CO 0.00 -0.72 0.21 -1.81 0.02 0.00 0.00 176.35 174.04 2qa4 s ASP 128 N -4.14 5.59 -0.11 2.29 1.01 -0.30 -4.61 116.67 116.40 2qa4 s ASP 128 Ca 0.51 -1.26 0.00 0.00 0.71 0.00 0.00 52.55 52.52 2qa4 s ASP 128 Cb -0.11 -1.97 0.02 0.00 1.01 0.00 0.00 42.92 41.88 2qa4 s ASP 128 CO 0.49 -0.44 -0.10 -0.63 0.21 0.00 0.00 175.17 174.71 2qa4 s ILE 129 N 1.46 1.15 -0.46 0.77 1.01 -1.26 -2.09 121.20 121.78 2qa4 s ILE 129 Ca 0.02 -0.38 -0.27 0.00 0.00 0.00 0.00 60.65 60.01 2qa4 s ILE 129 Cb -0.21 -1.13 -0.08 0.00 0.01 0.00 0.00 42.46 41.05 2qa4 s ILE 129 CO 0.04 0.39 2.39 -2.65 0.00 0.00 0.00 174.94 175.10 2qa4 n PRO 130 N 4.76 1.16 -1.40 2.79 -0.02 -1.26 -4.89 135.00 136.14 2qa4 n PRO 130 Ca -0.15 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.44 2qa4 n PRO 130 Cb 0.50 -3.27 0.00 0.00 -0.02 0.00 0.00 33.50 30.71 2qa4 n PRO 130 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 2qa4 n HIS 131 N 14.64 0.00 -3.66 6.00 1.44 -1.26 -4.83 115.22 127.55 2qa4 n HIS 131 Ca 0.37 0.00 -0.14 0.00 -2.01 0.00 0.00 57.72 55.95 2qa4 n HIS 131 Cb 0.49 0.00 -0.13 0.00 0.12 0.00 0.00 29.99 30.47 2qa4 n HIS 131 CO 0.00 0.00 0.00 1.21 -2.81 0.00 0.00 176.34 174.74 2qa4 s ASN 132 N -0.40 0.37 0.13 4.39 3.84 -1.26 -5.08 114.94 116.92 2qa4 s ASN 132 Ca 0.00 0.58 -0.19 0.00 0.21 0.00 0.00 52.86 53.46 2qa4 s ASN 132 Cb 0.00 0.69 -0.04 0.00 -0.55 0.00 0.00 41.25 41.35 2qa4 s ASN 132 CO 0.00 -0.24 1.77 0.44 -2.79 0.00 0.00 177.10 176.27 2qa4 h ASP 133 N 8.29 0.18 0.42 -4.21 3.32 -2.01 -3.07 116.42 119.34 2qa4 h ASP 133 Ca -0.14 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.92 2qa4 h ASP 133 Cb 1.11 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.64 2qa4 h ASP 133 CO 0.14 0.14 0.00 -0.90 -1.72 0.00 0.00 179.24 176.89 2qa4 n ASP 134 N -4.98 0.00 -0.30 6.45 5.68 -1.26 -2.45 116.55 119.69 2qa4 n ASP 134 Ca -0.02 -0.24 0.13 0.00 -0.50 0.00 0.00 54.79 54.15 2qa4 n ASP 134 Cb 0.05 -0.24 0.41 0.00 -1.14 0.00 0.00 41.12 40.21 2qa4 n ASP 134 CO 0.00 0.00 0.00 0.55 -1.33 0.00 0.00 177.20 176.42 2qa4 n VAL 135 N -1.24 0.00 -3.67 2.12 3.14 -1.16 -4.88 118.33 112.65 2qa4 n VAL 135 Ca 0.14 -0.15 -0.33 0.00 -2.96 0.00 0.00 64.34 61.04 2qa4 n VAL 135 Cb 0.20 0.41 -0.05 0.00 -1.06 0.00 0.00 33.84 33.34 2qa4 n VAL 135 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 2qa4 s LEU 136 N -2.39 4.32 0.36 6.55 1.43 -1.02 -2.82 118.68 125.12 2qa4 s LEU 136 Ca 0.27 0.64 -0.28 0.00 -1.03 0.00 0.00 54.13 53.73 2qa4 s LEU 136 Cb 0.20 -3.03 -0.11 0.00 0.03 0.00 0.00 46.19 43.28 2qa4 s LEU 136 CO 0.48 0.15 1.46 0.00 0.23 0.00 0.00 176.35 178.66 2qa4 s ALA 137 N -1.47 3.57 0.71 4.21 0.00 -1.26 -4.66 121.76 122.85 2qa4 s ALA 137 Ca 0.35 1.51 -0.16 0.00 0.00 0.00 0.00 51.96 53.66 2qa4 s ALA 137 Cb -0.13 -3.59 0.03 0.00 0.00 0.00 0.00 23.12 19.43 2qa4 s ALA 137 CO 0.20 -0.97 1.21 0.16 0.00 0.00 0.00 175.76 176.36 2qa4 s ASP 138 N -0.18 4.36 0.52 0.00 -4.77 -1.26 -4.81 116.67 110.53 2qa4 s ASP 138 Ca 0.53 2.37 0.37 0.00 -3.30 0.00 0.00 52.55 52.51 2qa4 s ASP 138 Cb -0.45 -2.59 1.53 0.00 -1.09 0.00 0.00 42.92 40.32 2qa4 s ASP 138 CO 0.60 -2.15 1.73 -0.25 0.70 0.00 0.00 175.17 175.80 2qa4 h TRP 139 N -0.10 0.14 0.07 2.11 -0.00 -2.00 -2.59 115.95 113.58 2qa4 h TRP 139 Ca -0.48 0.01 -0.11 0.00 -0.00 0.00 0.00 58.89 58.30 2qa4 h TRP 139 Cb 1.30 -0.04 0.01 0.00 -0.00 0.00 0.00 29.16 30.43 2qa4 h TRP 139 CO 0.47 -0.02 -0.48 1.96 -0.00 0.00 0.00 178.44 180.38 2qa4 h GLN 140 N 0.06 0.20 0.00 2.65 1.08 -2.00 -3.02 115.11 114.07 2qa4 h GLN 140 Ca 0.68 -0.31 0.00 0.00 -1.45 0.00 0.00 58.65 57.57 2qa4 h GLN 140 Cb 2.55 0.11 0.00 0.00 -0.05 0.00 0.00 27.48 30.09 2qa4 h GLN 140 CO -0.09 1.12 0.00 -2.13 -0.95 0.00 0.00 178.83 176.78 2qa4 n ARG 141 N -4.33 0.15 0.11 1.46 0.63 -1.00 -1.58 116.66 112.11 2qa4 n ARG 141 Ca -0.12 0.46 -0.21 0.00 -0.92 0.00 0.00 57.85 57.06 2qa4 n ARG 141 Cb 0.67 -1.83 -0.15 0.00 0.45 0.00 0.00 32.46 31.60 2qa4 n ARG 141 CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 2qa4 h THR 142 N 0.00 1.23 0.00 5.15 2.02 -1.55 -3.30 112.91 116.47 2qa4 h THR 142 Ca 0.00 -2.77 -0.11 0.00 0.77 0.00 0.00 66.41 64.31 2qa4 h THR 142 Cb 0.25 2.91 -0.02 0.00 -1.74 0.00 0.00 68.15 69.56 2qa4 h THR 142 CO 0.00 0.84 -0.51 0.03 0.37 0.00 0.00 175.52 176.25 2qa4 h ARG 143 N 0.11 0.00 0.00 6.66 3.08 -1.28 -3.11 114.38 119.83 2qa4 h ARG 143 Ca -0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.80 2qa4 h ARG 143 Cb 2.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.13 2qa4 h ARG 143 CO 0.22 0.51 0.00 0.41 -1.07 0.00 0.00 179.97 180.04 2qa4 n GLY 144 N 0.02 1.67 0.17 0.04 0.00 -0.96 -4.58 105.19 101.55 2qa4 n GLY 144 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 2qa4 n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qa4 h ALA 145 N 0.00 0.52 0.00 4.61 0.00 -1.53 -2.63 119.26 120.24 2qa4 h ALA 145 Ca 0.00 -0.63 -0.01 0.00 0.00 0.00 0.00 54.91 54.26 2qa4 h ALA 145 Cb 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 2qa4 h ALA 145 CO 0.00 0.77 -0.06 1.12 0.00 0.00 0.00 179.25 181.08 2qa4 h HIS 146 N 0.28 0.00 0.12 0.00 2.07 -1.85 -2.32 115.15 113.44 2qa4 h HIS 146 Ca -0.04 0.00 -0.32 0.00 -2.85 0.00 0.00 60.37 57.15 2qa4 h HIS 146 Cb 1.38 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.35 2qa4 h HIS 146 CO 0.05 0.06 -1.67 0.97 -3.07 0.00 0.00 177.93 174.27 2qa4 h ILE 147 N 0.00 0.99 -0.43 6.12 2.10 -1.91 -3.17 117.51 121.21 2qa4 h ILE 147 Ca -0.00 -2.65 -0.08 0.00 1.08 0.00 0.00 64.86 63.21 2qa4 h ILE 147 Cb 0.34 2.68 -0.01 0.00 -1.09 0.00 0.00 36.82 38.73 2qa4 h ILE 147 CO 0.01 0.81 -0.05 0.00 -1.08 0.00 0.00 178.15 177.83 2qa4 h ALA 148 N 0.40 0.58 0.00 0.18 0.00 -1.12 -3.01 119.26 116.30 2qa4 h ALA 148 Ca -0.30 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.27 2qa4 h ALA 148 Cb 2.04 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.66 2qa4 h ALA 148 CO 0.14 0.42 -0.23 0.93 0.00 0.00 0.00 179.25 180.51 2qa4 h GLU 149 N 0.62 0.00 0.00 0.00 5.08 -1.57 -2.41 114.58 116.30 2qa4 h GLU 149 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2qa4 h GLU 149 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 2qa4 h GLU 149 CO 0.03 0.23 0.00 0.98 -1.00 0.00 0.00 179.01 179.25 2qa4 n TYR 150 N -3.40 0.82 0.07 4.33 9.36 -1.15 -2.98 117.16 124.21 2qa4 n TYR 150 Ca 0.00 0.25 0.11 0.00 3.32 0.00 0.00 57.90 61.58 2qa4 n TYR 150 Cb 0.43 -0.90 -0.06 0.00 -0.63 0.00 0.00 39.34 38.18 2qa4 n TYR 150 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 2qa4 n ASP 151 N -2.18 0.57 0.12 2.98 -0.08 -0.93 -3.96 116.55 113.07 2qa4 n ASP 151 Ca 0.05 0.22 0.03 0.00 -1.51 0.00 0.00 54.79 53.59 2qa4 n ASP 151 Cb 0.40 0.95 0.43 0.00 2.34 0.00 0.00 41.12 45.25 2qa4 n ASP 151 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 2qa4 h GLU 152 N 0.00 0.26 -2.63 -0.67 3.07 -1.39 -1.29 114.58 111.94 2qa4 h GLU 152 Ca -0.00 -0.04 -0.57 0.00 -0.50 0.00 0.00 59.36 58.25 2qa4 h GLU 152 Cb 1.01 -0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 28.84 2qa4 h GLU 152 CO 0.00 0.32 2.39 1.04 -1.40 0.00 0.00 179.01 181.36 2qa4 n GLN 153 N -4.35 3.41 0.00 2.33 6.02 -1.25 -4.78 117.38 118.75 2qa4 n GLN 153 Ca -0.00 -2.19 0.00 0.00 -0.01 0.00 0.00 57.00 54.80 2qa4 n GLN 153 Cb 0.20 -2.54 0.00 0.00 1.02 0.00 0.00 30.24 28.92 2qa4 n GLN 153 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 2qa4 n LEU 154 N 2.78 0.00 0.00 1.08 7.94 -0.49 -4.78 117.00 123.53 2qa4 n LEU 154 Ca 0.66 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.56 2qa4 n LEU 154 Cb 0.41 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.36 2qa4 n LEU 154 CO 0.62 0.00 0.00 1.21 -1.11 0.00 0.00 177.39 178.11 2qa4 n GLU 155 N 0.00 0.00 -3.42 1.96 2.13 -1.26 -4.65 120.64 115.39 2qa4 n GLU 155 Ca 0.00 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.73 2qa4 n GLU 155 Cb 0.00 -0.27 -0.08 0.00 0.27 0.00 0.00 31.44 31.36 2qa4 n GLU 155 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 2qa4 s GLU 156 N 0.00 0.34 0.11 5.31 2.02 -1.26 -5.14 118.70 120.08 2qa4 s GLU 156 Ca 0.00 0.65 -0.35 0.00 0.02 0.00 0.00 54.97 55.29 2qa4 s GLU 156 Cb 0.00 -0.29 -0.17 0.00 0.10 0.00 0.00 34.13 33.77 2qa4 s GLU 156 CO 0.00 -0.55 1.11 -2.30 0.02 0.00 0.00 175.26 173.54 2qa4 n PRO 157 N 5.37 0.71 -0.13 0.39 -0.02 -1.26 -4.89 135.00 135.17 2qa4 n PRO 157 Ca -0.05 0.26 -0.08 0.00 -2.02 0.00 0.00 63.50 61.61 2qa4 n PRO 157 Cb 0.50 -1.73 0.01 0.00 -0.02 0.00 0.00 33.50 32.26 2qa4 n PRO 157 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2qa4 h LEU 158 N 3.27 0.46 -9.08 2.45 5.85 -1.90 -3.40 115.31 112.96 2qa4 h LEU 158 Ca -0.45 -0.01 -0.59 0.00 0.84 0.00 0.00 57.88 57.68 2qa4 h LEU 158 Cb 1.38 -0.11 -0.08 0.00 0.37 0.00 0.00 40.66 42.22 2qa4 h LEU 158 CO 0.69 0.33 0.49 -0.31 -0.34 0.00 0.00 178.44 179.30 2qa4 s TYR 159 N -6.16 3.35 0.12 1.25 1.51 -1.26 -4.95 117.35 111.20 2qa4 s TYR 159 Ca -0.13 1.21 -0.14 0.00 -1.01 0.00 0.00 57.07 57.00 2qa4 s TYR 159 Cb 0.11 -3.07 -0.04 0.00 -0.11 0.00 0.00 41.96 38.85 2qa4 s TYR 159 CO 0.73 -0.36 1.51 1.03 -1.11 0.00 0.00 175.55 177.35 2qa4 h SER 160 N 7.55 0.74 -3.25 2.29 0.87 -1.95 -3.43 113.55 116.37 2qa4 h SER 160 Ca -0.24 -0.37 -0.57 0.00 -1.23 0.00 0.00 61.79 59.37 2qa4 h SER 160 Cb 1.10 -0.20 -0.04 0.00 -0.44 0.00 0.00 62.40 62.81 2qa4 h SER 160 CO 0.88 0.94 -0.02 -0.83 -0.53 0.00 0.00 176.83 177.26 2qa4 s GLY 161 N -3.47 2.68 -0.29 5.77 0.00 -1.26 -5.00 107.32 105.75 2qa4 s GLY 161 Ca -0.13 0.05 -0.29 0.00 0.00 0.00 0.00 44.72 44.36 2qa4 s GLY 161 CO 0.81 0.49 1.71 -0.35 0.00 0.00 0.00 173.10 175.76 2qa4 s ASP 162 N -1.09 6.11 0.00 1.64 -1.08 -1.26 -4.48 116.67 116.51 2qa4 s ASP 162 Ca 0.29 1.41 0.00 0.00 -0.52 0.00 0.00 52.55 53.73 2qa4 s ASP 162 Cb -0.20 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 38.73 2qa4 s ASP 162 CO 0.19 -1.51 0.00 0.33 0.52 0.00 0.00 175.17 174.70 2qa4 n PHE 163 N 9.47 0.00 0.00 -5.34 7.35 -1.26 -5.12 117.46 122.56 2qa4 n PHE 163 Ca 0.21 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.90 2qa4 n PHE 163 Cb 0.46 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.29 2qa4 n PHE 163 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 2qa4 n ASP 164 N -1.39 0.00 -0.07 -2.13 5.68 -1.26 -5.04 116.55 112.34 2qa4 n ASP 164 Ca 0.00 0.00 -0.06 0.00 -0.50 0.00 0.00 54.79 54.23 2qa4 n ASP 164 Cb 0.12 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.07 2qa4 n ASP 164 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2qa4 h ALA 165 N 0.00 0.03 0.00 2.12 0.00 -1.94 -3.40 119.26 116.06 2qa4 h ALA 165 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2qa4 h ALA 165 Cb 0.00 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2qa4 h ALA 165 CO 0.00 0.44 0.00 0.00 0.00 0.00 0.00 179.25 179.69 2qa4 n ALA 166 N -3.46 2.56 -1.10 0.00 0.00 -1.26 -4.39 120.51 112.85 2qa4 n ALA 166 Ca -0.09 -0.17 0.12 0.00 0.00 0.00 0.00 53.44 53.30 2qa4 n ALA 166 Cb 0.27 -1.48 -0.07 0.00 0.00 0.00 0.00 19.45 18.17 2qa4 n ALA 166 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2qa4 n ASP 167 N -1.08 -5.98 -3.58 0.00 8.00 -1.26 -4.77 116.55 107.88 2qa4 n ASP 167 Ca 0.20 1.15 -0.29 0.00 0.71 0.00 0.00 54.79 56.56 2qa4 n ASP 167 Cb 0.14 -3.76 -0.15 0.00 -0.02 0.00 0.00 41.12 37.33 2qa4 n ASP 167 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2qa4 s LEU 168 N -6.30 0.82 0.00 0.64 1.43 -1.26 -4.95 118.68 109.06 2qa4 s LEU 168 Ca 0.00 -1.30 0.11 0.00 -1.03 0.00 0.00 54.13 51.91 2qa4 s LEU 168 Cb 0.00 -0.43 0.68 0.00 0.03 0.00 0.00 46.19 46.46 2qa4 s LEU 168 CO 0.00 -0.43 1.15 -2.65 0.23 0.00 0.00 176.35 174.65 2qa4 n PRO 169 N 5.18 0.59 0.09 1.29 -0.02 -1.26 -1.89 135.00 138.98 2qa4 n PRO 169 Ca -0.05 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.41 2qa4 n PRO 169 Cb 0.42 -1.30 -0.05 0.00 -0.02 0.00 0.00 33.50 32.55 2qa4 n PRO 169 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2qa4 h GLU 170 N 0.00 0.00 0.00 -0.52 3.07 -1.92 -3.05 114.58 112.16 2qa4 h GLU 170 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2qa4 h GLU 170 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 2qa4 h GLU 170 CO 0.00 0.67 0.00 1.25 -1.40 0.00 0.00 179.01 179.53 2qa4 h HIS 171 N 0.00 0.00 0.07 4.33 2.76 -1.76 0.88 115.15 121.43 2qa4 h HIS 171 Ca -0.04 0.00 -0.23 0.00 -2.20 0.00 0.00 60.37 57.90 2qa4 h HIS 171 Cb 1.59 0.00 0.02 0.00 1.55 0.00 0.00 27.41 30.57 2qa4 h HIS 171 CO 0.00 0.00 -0.94 0.35 -1.30 0.00 0.00 177.93 176.04 2qa4 h PHE 172 N 0.00 0.82 -0.04 5.26 3.57 -1.71 -2.54 116.94 122.31 2qa4 h PHE 172 Ca 0.00 -0.49 -0.01 0.00 3.53 0.00 0.00 57.97 61.00 2qa4 h PHE 172 Cb 0.23 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 38.90 2qa4 h PHE 172 CO 0.00 1.34 -0.00 -0.44 -2.23 0.00 0.00 178.31 176.98 2qa4 h ASP 173 N 0.07 0.07 -0.63 0.41 3.32 -1.28 -0.72 116.42 117.66 2qa4 h ASP 173 Ca -0.14 -0.33 0.10 0.00 0.02 0.00 0.00 57.03 56.68 2qa4 h ASP 173 Cb 1.65 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 41.14 2qa4 h ASP 173 CO 0.18 0.38 0.42 -0.33 -1.72 0.00 0.00 179.24 178.17 2qa4 h GLU 174 N -0.25 0.44 0.10 3.56 5.08 -0.97 0.08 114.58 122.63 2qa4 h GLU 174 Ca 0.01 -0.03 -0.23 0.00 -1.00 0.00 0.00 59.36 58.11 2qa4 h GLU 174 Cb 0.35 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2qa4 h GLU 174 CO 0.00 0.29 -1.15 1.25 -1.00 0.00 0.00 179.01 178.41 2qa4 h LEU 175 N 0.46 0.34 -1.58 1.33 5.85 -1.32 -3.09 115.31 117.29 2qa4 h LEU 175 Ca 0.29 -0.86 0.01 0.00 0.84 0.00 0.00 57.88 58.16 2qa4 h LEU 175 Cb 0.53 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 2qa4 h LEU 175 CO -0.09 1.51 0.28 -0.09 -0.34 0.00 0.00 178.44 179.72 2qa4 h ARG 176 N -0.43 0.56 -0.39 1.25 2.43 -0.93 0.29 114.38 117.16 2qa4 h ARG 176 Ca -0.25 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 58.90 2qa4 h ARG 176 Cb 1.63 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 31.04 2qa4 h ARG 176 CO 0.05 0.37 0.24 1.49 -1.51 0.00 0.00 179.97 180.61 2qa4 h GLU 177 N 0.57 0.47 -0.18 0.20 4.57 -1.08 -2.19 114.58 116.95 2qa4 h GLU 177 Ca 0.16 -0.03 -0.16 0.00 -1.18 0.00 0.00 59.36 58.15 2qa4 h GLU 177 Cb -0.05 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.42 2qa4 h GLU 177 CO -0.03 0.31 -0.57 1.15 -1.18 0.00 0.00 179.01 178.69 2qa4 h THR 178 N 0.48 1.32 -0.22 0.32 2.02 -1.07 -3.17 112.91 112.60 2qa4 h THR 178 Ca 0.15 -1.83 -0.08 0.00 0.77 0.00 0.00 66.41 65.42 2qa4 h THR 178 Cb -0.01 1.80 -0.01 0.00 -1.74 0.00 0.00 68.15 68.19 2qa4 h THR 178 CO -0.06 0.57 -0.21 -0.07 0.37 0.00 0.00 175.52 176.12 2qa4 h LEU 179 N 0.42 0.39 0.00 2.58 3.38 -0.85 -2.77 115.31 118.46 2qa4 h LEU 179 Ca 0.00 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2qa4 h LEU 179 Cb 1.12 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.77 2qa4 h LEU 179 CO 0.11 0.61 0.00 0.18 0.09 0.00 0.00 178.44 179.43 2qa4 n LEU 180 N -4.17 0.00 -4.78 1.67 4.32 -0.84 -4.83 117.00 108.37 2qa4 n LEU 180 Ca -0.00 0.46 -0.36 0.00 -0.02 0.00 0.00 56.01 56.09 2qa4 n LEU 180 Cb 0.36 -0.46 -0.05 0.00 -1.62 0.00 0.00 43.42 41.65 2qa4 n LEU 180 CO 0.40 -0.02 0.71 -0.62 -1.22 0.00 0.00 177.39 176.64 2qa4 s ASP 181 N -2.93 6.93 -0.01 -1.43 -1.08 -1.05 -4.96 116.67 112.15 2qa4 s ASP 181 Ca 0.16 1.96 0.01 0.00 -0.52 0.00 0.00 52.55 54.16 2qa4 s ASP 181 Cb 0.18 -2.58 0.04 0.00 -1.46 0.00 0.00 42.92 39.10 2qa4 s ASP 181 CO 0.49 -0.36 0.69 0.61 0.52 0.00 0.00 175.17 177.12 2qa4 n GLY 182 N 0.34 0.88 0.00 2.66 0.00 -1.26 -3.72 105.19 104.09 2qa4 n GLY 182 Ca 0.04 -0.04 0.04 0.00 0.00 0.00 0.00 46.02 46.05 2qa4 n GLY 182 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2qa4 n ASP 183 N -0.09 0.35 -4.61 1.61 8.00 -1.26 -5.05 116.55 115.51 2qa4 n ASP 183 Ca 0.01 -0.68 -0.41 0.00 0.71 0.00 0.00 54.79 54.43 2qa4 n ASP 183 Cb 0.22 1.00 0.02 0.00 -0.02 0.00 0.00 41.12 42.34 2qa4 n ASP 183 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qa4 n ILE 184 N -1.18 2.61 -3.09 0.53 3.06 -1.24 -4.94 119.36 115.12 2qa4 n ILE 184 Ca 0.01 -0.50 -0.45 0.00 -2.50 0.00 0.00 62.75 59.32 2qa4 n ILE 184 Cb 0.12 -1.15 -0.04 0.00 0.54 0.00 0.00 39.64 39.10 2qa4 n ILE 184 CO 0.00 0.00 0.00 -1.61 -2.50 0.00 0.00 176.55 172.44 2qa4 s GLU 185 N -2.13 3.05 0.00 9.51 2.02 -1.26 -5.15 118.70 124.74 2qa4 s GLU 185 Ca 0.65 -1.27 0.29 0.00 0.02 0.00 0.00 54.97 54.66 2qa4 s GLU 185 Cb -0.53 -4.26 1.22 0.00 0.10 0.00 0.00 34.13 30.66 2qa4 s GLU 185 CO 0.55 -1.57 1.84 1.28 0.02 0.00 0.00 175.26 177.38