#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2uu9 s LEU 2 N 0.00 3.33 -0.16 -0.89 1.43 -1.26 -4.98 118.68 116.15 2uu9 s LEU 2 Ca 0.00 1.61 0.16 0.00 -1.03 0.00 0.00 54.13 54.87 2uu9 s LEU 2 Cb 0.00 -4.50 -0.23 0.00 0.03 0.00 0.00 46.19 41.49 2uu9 s LEU 2 CO 0.00 -1.10 0.10 0.35 0.23 0.00 0.00 176.35 175.93 2uu9 n THR 3 N -2.51 1.12 -3.41 5.49 -2.24 -1.26 -4.75 114.28 106.71 2uu9 n THR 3 Ca 0.07 -0.73 -0.28 0.00 -2.27 0.00 0.00 64.05 60.85 2uu9 n THR 3 Cb 0.54 -0.47 -0.11 0.00 -2.10 0.00 0.00 70.33 68.19 2uu9 n THR 3 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2uu9 s ASP 4 N -5.12 1.82 0.42 3.42 -1.08 -1.26 -4.90 116.67 109.98 2uu9 s ASP 4 Ca -0.09 -2.84 0.21 0.00 -0.52 0.00 0.00 52.55 49.31 2uu9 s ASP 4 Cb 0.06 -0.43 1.16 0.00 -1.46 0.00 0.00 42.92 42.25 2uu9 s ASP 4 CO 0.74 -0.21 1.79 -0.65 0.52 0.00 0.00 175.17 177.37 2uu9 h PRO 5 N 6.00 0.33 0.06 4.34 0.11 -1.99 0.13 132.00 140.98 2uu9 h PRO 5 Ca 0.21 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.30 2uu9 h PRO 5 Cb 0.92 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.96 2uu9 h PRO 5 CO 0.34 0.22 -0.03 0.82 -0.21 0.00 0.00 178.00 179.14 2uu9 h ILE 6 N 0.34 1.18 -0.26 4.15 1.08 -1.99 -1.20 117.51 120.81 2uu9 h ILE 6 Ca 0.57 -0.84 -0.01 0.00 -0.39 0.00 0.00 64.86 64.18 2uu9 h ILE 6 Cb 1.55 1.73 -0.01 0.00 -3.07 0.00 0.00 36.82 37.02 2uu9 h ILE 6 CO -0.24 0.21 0.10 0.00 -0.69 0.00 0.00 178.15 177.53 2uu9 h ALA 7 N 0.45 1.70 -0.26 1.87 0.00 -1.66 0.12 119.26 121.48 2uu9 h ALA 7 Ca -0.01 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2uu9 h ALA 7 Cb 0.40 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2uu9 h ALA 7 CO 0.01 0.24 0.15 0.22 0.00 0.00 0.00 179.25 179.88 2uu9 h ASP 8 N 0.36 0.32 0.64 0.00 3.58 -0.49 0.12 116.42 120.96 2uu9 h ASP 8 Ca 0.09 -0.06 -0.03 0.00 0.42 0.00 0.00 57.03 57.45 2uu9 h ASP 8 Cb 0.08 -0.08 0.01 0.00 1.72 0.00 0.00 39.33 41.05 2uu9 h ASP 8 CO -0.01 0.29 -0.31 -0.03 -2.88 0.00 0.00 179.24 176.30 2uu9 h MET 9 N 0.33 -0.83 -0.95 0.28 4.05 -0.22 0.51 114.93 118.10 2uu9 h MET 9 Ca 0.09 0.06 0.29 0.00 -0.28 0.00 0.00 59.70 59.86 2uu9 h MET 9 Cb 0.03 0.19 -0.17 0.00 -0.80 0.00 0.00 31.60 30.85 2uu9 h MET 9 CO -0.02 -0.51 0.24 -0.07 0.23 0.00 0.00 176.91 176.79 2uu9 h LEU 10 N -1.01 -0.08 -0.03 3.39 3.38 -0.85 0.13 115.31 120.23 2uu9 h LEU 10 Ca -0.09 0.24 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 2uu9 h LEU 10 Cb 0.70 0.34 0.00 0.00 0.09 0.00 0.00 40.66 41.79 2uu9 h LEU 10 CO 0.14 -0.29 -0.05 0.74 0.09 0.00 0.00 178.44 179.07 2uu9 h THR 11 N 0.10 1.43 -0.62 0.22 2.02 -0.51 0.53 112.91 116.08 2uu9 h THR 11 Ca 0.64 -1.35 0.13 0.00 0.77 0.00 0.00 66.41 66.61 2uu9 h THR 11 Cb 1.43 2.26 -0.10 0.00 -1.74 0.00 0.00 68.15 70.00 2uu9 h THR 11 CO -0.78 0.36 -0.01 0.03 0.37 0.00 0.00 175.52 175.50 2uu9 h ARG 12 N -0.43 0.11 -0.25 6.66 3.08 0.25 0.51 114.38 124.31 2uu9 h ARG 12 Ca 0.00 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 2uu9 h ARG 12 Cb 0.62 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.63 2uu9 h ARG 12 CO 0.01 0.07 0.12 0.82 -1.07 0.00 0.00 179.97 179.93 2uu9 h ILE 13 N 0.11 1.14 -0.06 2.04 2.04 -0.93 0.08 117.51 121.94 2uu9 h ILE 13 Ca 0.32 -0.40 0.03 0.00 1.00 0.00 0.00 64.86 65.81 2uu9 h ILE 13 Cb 0.52 0.95 -0.04 0.00 -0.74 0.00 0.00 36.82 37.51 2uu9 h ILE 13 CO -0.53 0.14 -0.16 -0.09 0.00 0.00 0.00 178.15 177.51 2uu9 h ARG 14 N 0.28 -0.22 -0.63 2.37 2.43 0.14 -1.93 114.38 116.81 2uu9 h ARG 14 Ca 0.09 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.24 2uu9 h ARG 14 Cb 0.11 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.69 2uu9 h ARG 14 CO -0.01 -0.15 0.27 -0.91 -1.51 0.00 0.00 179.97 177.67 2uu9 h ASN 15 N -0.23 0.84 -0.38 -3.80 2.35 0.04 -3.00 115.58 111.41 2uu9 h ASN 15 Ca 0.07 -0.15 0.02 0.00 -0.55 0.00 0.00 56.30 55.69 2uu9 h ASN 15 Cb 0.33 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.46 2uu9 h ASN 15 CO -0.20 0.77 0.22 0.00 -1.65 0.00 0.00 177.43 176.57 2uu9 h ALA 16 N 1.11 0.47 0.00 -0.83 0.00 -0.69 -2.74 119.26 116.58 2uu9 h ALA 16 Ca 0.21 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 2uu9 h ALA 16 Cb 0.17 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2uu9 h ALA 16 CO -0.02 -0.12 -0.20 1.79 0.00 0.00 0.00 179.25 180.69 2uu9 h THR 17 N 0.44 1.07 0.00 0.00 1.35 -1.28 -1.75 112.91 112.74 2uu9 h THR 17 Ca 0.15 -0.71 0.00 0.00 -0.55 0.00 0.00 66.41 65.30 2uu9 h THR 17 Cb 0.01 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 67.82 2uu9 h THR 17 CO -0.07 0.20 0.00 0.03 -0.25 0.00 0.00 175.52 175.43 2uu9 h ARG 18 N 0.00 0.00 -0.39 4.72 -0.00 -1.35 -1.78 114.38 115.59 2uu9 h ARG 18 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 2uu9 h ARG 18 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.34 2uu9 h ARG 18 CO 0.03 0.00 0.00 1.33 0.00 0.00 0.00 179.97 181.33 2uu9 n VAL 19 N -2.99 1.36 -3.29 2.04 0.24 -1.04 -4.98 118.33 109.66 2uu9 n VAL 19 Ca 0.01 -1.21 -0.24 0.00 -2.04 0.00 0.00 64.34 60.87 2uu9 n VAL 19 Cb 0.33 0.30 0.02 0.00 -1.47 0.00 0.00 33.84 33.02 2uu9 n VAL 19 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2uu9 n TYR 20 N 0.43 -1.95 -1.00 6.34 4.01 -0.67 -4.96 117.16 119.36 2uu9 n TYR 20 Ca 0.16 0.55 -0.34 0.00 -0.16 0.00 0.00 57.90 58.11 2uu9 n TYR 20 Cb 0.59 -3.71 0.12 0.00 -0.31 0.00 0.00 39.34 36.03 2uu9 n TYR 20 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2uu9 n LYS 21 N -3.98 0.00 -0.05 -0.72 4.76 -0.70 -4.95 118.16 112.52 2uu9 n LYS 21 Ca -0.05 0.06 -0.05 0.00 -2.87 0.00 0.00 58.31 55.40 2uu9 n LYS 21 Cb 0.57 -2.13 -0.05 0.00 -1.84 0.00 0.00 35.03 31.58 2uu9 n LYS 21 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 2uu9 h GLU 22 N -1.09 -0.01 0.00 1.97 4.81 -1.93 -3.44 114.58 114.91 2uu9 h GLU 22 Ca -0.45 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 2uu9 h GLU 22 Cb 1.30 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.68 2uu9 h GLU 22 CO 0.41 0.38 0.00 -1.13 -0.73 0.00 0.00 179.01 177.94 2uu9 n SER 23 N -4.72 1.21 0.00 1.04 3.41 -1.26 -1.82 113.62 111.48 2uu9 n SER 23 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 2uu9 n SER 23 Cb 0.19 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 2uu9 n SER 23 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 2uu9 n THR 24 N 0.00 0.00 -2.68 6.66 5.66 -0.97 -4.83 114.28 118.12 2uu9 n THR 24 Ca 0.00 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.79 2uu9 n THR 24 Cb 0.00 0.00 0.04 0.00 -1.55 0.00 0.00 70.33 68.82 2uu9 n THR 24 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 2uu9 s ASP 25 N 0.00 5.21 -0.28 1.09 1.01 -1.26 -0.33 116.67 122.11 2uu9 s ASP 25 Ca 0.00 -0.12 -0.17 0.00 0.71 0.00 0.00 52.55 52.98 2uu9 s ASP 25 Cb 0.00 -0.72 0.11 0.00 1.01 0.00 0.00 42.92 43.32 2uu9 s ASP 25 CO 0.00 -1.19 0.85 0.54 0.21 0.00 0.00 175.17 175.58 2uu9 s VAL 26 N -2.76 0.00 0.03 -1.27 0.11 -1.19 -4.89 120.40 110.43 2uu9 s VAL 26 Ca 0.58 0.00 -0.38 0.00 -2.93 0.00 0.00 61.98 59.26 2uu9 s VAL 26 Cb -0.10 -1.00 -0.17 0.00 -1.53 0.00 0.00 36.38 33.58 2uu9 s VAL 26 CO 0.38 0.00 1.37 -2.65 -3.33 0.00 0.00 175.10 170.87 2uu9 n PRO 27 N 3.86 1.03 -2.38 1.54 -0.02 -1.26 -1.31 135.00 136.46 2uu9 n PRO 27 Ca -0.19 0.37 -0.38 0.00 -2.02 0.00 0.00 63.50 61.28 2uu9 n PRO 27 Cb 0.58 -2.00 -0.03 0.00 -0.02 0.00 0.00 33.50 32.03 2uu9 n PRO 27 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2uu9 s ALA 28 N 0.83 3.16 -0.28 3.55 0.00 0.02 -4.81 121.76 124.23 2uu9 s ALA 28 Ca 0.87 0.88 -0.23 0.00 0.00 0.00 0.00 51.96 53.49 2uu9 s ALA 28 Cb -1.00 -3.34 0.09 0.00 0.00 0.00 0.00 23.12 18.86 2uu9 s ALA 28 CO 0.50 -0.40 0.81 -1.54 0.00 0.00 0.00 175.76 175.13 2uu9 s SER 29 N -1.23 -0.70 0.11 0.00 1.04 -1.26 -4.95 113.70 106.71 2uu9 s SER 29 Ca 0.56 1.28 -0.33 0.00 0.48 0.00 0.00 55.95 57.94 2uu9 s SER 29 Cb -0.28 1.29 -0.13 0.00 0.10 0.00 0.00 66.02 67.00 2uu9 s SER 29 CO 0.36 -0.22 1.53 0.03 0.98 0.00 0.00 173.24 175.92 2uu9 h ARG 30 N 5.25 -0.60 -0.85 4.02 3.08 -1.99 0.51 114.38 123.80 2uu9 h ARG 30 Ca -0.29 0.04 0.22 0.00 0.07 0.00 0.00 59.98 60.02 2uu9 h ARG 30 Cb 1.18 0.14 -0.14 0.00 0.08 0.00 0.00 29.97 31.23 2uu9 h ARG 30 CO 0.09 -0.40 0.21 0.35 -1.07 0.00 0.00 179.97 179.16 2uu9 h PHE 31 N -0.62 0.31 -0.75 3.04 3.57 -1.99 0.62 116.94 121.13 2uu9 h PHE 31 Ca 0.02 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 2uu9 h PHE 31 Cb 0.68 -0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.38 2uu9 h PHE 31 CO -0.54 -0.19 0.44 -0.22 -2.23 0.00 0.00 178.31 175.57 2uu9 h LYS 32 N 0.21 1.02 -0.47 1.11 3.64 -1.69 -1.93 116.57 118.47 2uu9 h LYS 32 Ca 0.52 -0.10 -0.03 0.00 -1.27 0.00 0.00 60.65 59.77 2uu9 h LYS 32 Cb 1.02 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.61 2uu9 h LYS 32 CO -0.64 0.74 0.17 1.49 -2.27 0.00 0.00 179.45 178.95 2uu9 h GLU 33 N 1.03 0.72 -0.78 1.90 4.81 0.23 -1.76 114.58 120.72 2uu9 h GLU 33 Ca 0.27 -0.14 0.08 0.00 -0.13 0.00 0.00 59.36 59.44 2uu9 h GLU 33 Cb -0.01 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.21 2uu9 h GLU 33 CO -0.05 0.66 0.51 1.49 -0.73 0.00 0.00 179.01 180.89 2uu9 h GLU 34 N 0.62 0.73 -0.27 1.92 4.57 -0.14 -0.07 114.58 121.94 2uu9 h GLU 34 Ca 0.16 -0.04 -0.05 0.00 -1.18 0.00 0.00 59.36 58.24 2uu9 h GLU 34 Cb 0.22 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.64 2uu9 h GLU 34 CO -0.01 0.48 -0.02 0.82 -1.18 0.00 0.00 179.01 179.10 2uu9 h ILE 35 N 0.75 1.27 -0.54 2.32 2.04 -0.74 -3.04 117.51 119.57 2uu9 h ILE 35 Ca 0.35 -0.98 0.05 0.00 1.00 0.00 0.00 64.86 65.29 2uu9 h ILE 35 Cb 0.38 1.36 -0.05 0.00 -0.74 0.00 0.00 36.82 37.77 2uu9 h ILE 35 CO -0.13 0.31 0.26 -0.07 0.00 0.00 0.00 178.15 178.52 2uu9 h LEU 36 N 0.26 0.36 -0.96 1.44 3.38 -0.26 -1.63 115.31 117.90 2uu9 h LEU 36 Ca 0.07 0.04 0.29 0.00 0.09 0.00 0.00 57.88 58.37 2uu9 h LEU 36 Cb 0.46 -0.03 -0.17 0.00 0.09 0.00 0.00 40.66 41.01 2uu9 h LEU 36 CO 0.02 0.25 0.17 0.03 0.09 0.00 0.00 178.44 178.99 2uu9 h ARG 37 N 0.50 0.05 0.03 1.13 3.08 -0.96 0.15 114.38 118.37 2uu9 h ARG 37 Ca 0.24 -0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.29 2uu9 h ARG 37 Cb 0.18 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.22 2uu9 h ARG 37 CO -0.18 0.04 -0.02 0.82 -1.07 0.00 0.00 179.97 179.56 2uu9 h ILE 38 N 0.05 1.27 -0.96 2.04 2.04 -1.34 0.64 117.51 121.27 2uu9 h ILE 38 Ca 0.63 -0.99 0.23 0.00 1.00 0.00 0.00 64.86 65.73 2uu9 h ILE 38 Cb 1.38 1.92 -0.12 0.00 -0.74 0.00 0.00 36.82 39.27 2uu9 h ILE 38 CO -0.83 0.25 0.52 -0.07 0.00 0.00 0.00 178.15 178.02 2uu9 h LEU 39 N -0.48 0.56 0.29 1.44 -0.00 -0.53 0.59 115.31 117.18 2uu9 h LEU 39 Ca -0.00 0.14 -0.01 0.00 -0.00 0.00 0.00 57.88 58.00 2uu9 h LEU 39 Cb 0.44 0.06 0.00 0.00 -0.00 0.00 0.00 40.66 41.16 2uu9 h LEU 39 CO 0.01 0.09 -0.14 0.00 -0.00 0.00 0.00 178.44 178.40 2uu9 h ALA 40 N 1.70 -0.90 -1.00 1.53 0.00 -0.74 0.22 119.26 120.08 2uu9 h ALA 40 Ca 0.60 -0.08 0.19 0.00 0.00 0.00 0.00 54.91 55.62 2uu9 h ALA 40 Cb 1.10 0.15 -0.18 0.00 0.00 0.00 0.00 17.79 18.86 2uu9 h ALA 40 CO -0.48 -0.87 -0.27 -2.13 0.00 0.00 0.00 179.25 175.50 2uu9 n ARG 41 N -3.24 -0.11 0.04 0.00 0.63 0.20 0.13 116.66 114.31 2uu9 n ARG 41 Ca -0.05 1.55 0.10 0.00 -0.92 0.00 0.00 57.85 58.53 2uu9 n ARG 41 Cb 0.15 -2.31 0.41 0.00 0.45 0.00 0.00 32.46 31.16 2uu9 n ARG 41 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2uu9 n GLU 42 N -5.60 0.07 -2.40 -0.14 -0.58 0.19 -4.91 120.64 107.27 2uu9 n GLU 42 Ca 0.15 0.26 -0.03 0.00 -0.42 0.00 0.00 57.16 57.12 2uu9 n GLU 42 Cb 0.48 -1.62 0.01 0.00 -0.57 0.00 0.00 31.44 29.74 2uu9 n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2uu9 n GLY 43 N 0.31 0.52 0.00 0.62 0.00 0.34 -4.95 105.19 102.03 2uu9 n GLY 43 Ca 0.04 -0.47 0.08 0.00 0.00 0.00 0.00 46.02 45.66 2uu9 n GLY 43 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2uu9 n PHE 44 N -2.07 0.00 -3.88 1.61 3.72 0.69 -4.97 117.46 112.55 2uu9 n PHE 44 Ca -0.02 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.27 2uu9 n PHE 44 Cb 0.52 -0.24 -0.10 0.00 -0.94 0.00 0.00 39.48 38.71 2uu9 n PHE 44 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 2uu9 s ILE 45 N -2.87 0.07 0.49 4.37 -4.36 -1.18 -4.16 121.20 113.55 2uu9 s ILE 45 Ca -0.02 -0.62 0.19 0.00 -0.26 0.00 0.00 60.65 59.94 2uu9 s ILE 45 Cb 0.10 -0.38 0.35 0.00 1.25 0.00 0.00 42.46 43.79 2uu9 s ILE 45 CO 0.64 -0.34 2.01 0.11 0.24 0.00 0.00 174.94 177.60 2uu9 h LYS 46 N 4.57 0.17 0.00 0.37 1.57 -0.91 -3.40 116.57 118.94 2uu9 h LYS 46 Ca -0.30 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 2uu9 h LYS 46 Cb 1.20 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.47 2uu9 h LYS 46 CO 0.41 0.11 0.00 0.41 -0.57 0.00 0.00 179.45 179.81 2uu9 n GLY 47 N -1.58 0.72 0.83 3.86 0.00 -1.19 -4.99 105.19 102.85 2uu9 n GLY 47 Ca 0.08 -1.88 -0.06 0.00 0.00 0.00 0.00 46.02 44.16 2uu9 n GLY 47 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2uu9 n TYR 48 N 2.04 -0.05 0.00 1.61 0.18 -1.26 -0.66 117.16 119.02 2uu9 n TYR 48 Ca 0.00 -0.68 0.00 0.00 1.88 0.00 0.00 57.90 59.10 2uu9 n TYR 48 Cb 0.00 0.02 0.00 0.00 -0.38 0.00 0.00 39.34 38.98 2uu9 n TYR 48 CO 0.00 0.00 0.00 -0.85 -2.08 0.00 0.00 176.86 173.93 2uu9 n GLU 49 N -0.21 0.00 -0.86 -3.48 0.28 -0.95 -4.96 120.64 110.46 2uu9 n GLU 49 Ca -0.00 0.00 -0.30 0.00 -0.16 0.00 0.00 57.16 56.70 2uu9 n GLU 49 Cb 0.15 0.00 0.17 0.00 1.43 0.00 0.00 31.44 33.19 2uu9 n GLU 49 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 2uu9 s ARG 50 N -1.18 0.82 0.23 3.44 3.00 -1.26 -1.04 118.95 122.95 2uu9 s ARG 50 Ca 0.00 1.18 -0.22 0.00 0.00 0.00 0.00 55.73 56.69 2uu9 s ARG 50 Cb 0.00 -1.73 0.04 0.00 0.00 0.00 0.00 34.95 33.26 2uu9 s ARG 50 CO 0.00 -2.65 0.75 0.14 0.00 0.00 0.00 175.30 173.54 2uu9 s VAL 51 N -2.71 0.00 -0.52 3.52 -7.23 -1.16 -4.72 120.40 107.57 2uu9 s VAL 51 Ca 0.66 -0.74 0.07 0.00 -1.81 0.00 0.00 61.98 60.15 2uu9 s VAL 51 Cb -0.21 -1.80 0.26 0.00 0.56 0.00 0.00 36.38 35.19 2uu9 s VAL 51 CO 0.59 0.00 0.68 0.47 -0.31 0.00 0.00 175.10 176.53 2uu9 n ASP 52 N -0.44 2.29 -4.55 4.85 9.92 -1.26 -1.81 116.55 125.55 2uu9 n ASP 52 Ca -0.07 -3.15 -0.38 0.00 -0.53 0.00 0.00 54.79 50.66 2uu9 n ASP 52 Cb 0.60 -0.65 -0.03 0.00 -0.64 0.00 0.00 41.12 40.41 2uu9 n ASP 52 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2uu9 s VAL 53 N -2.14 3.20 -0.75 2.53 1.01 -0.78 -3.01 120.40 120.47 2uu9 s VAL 53 Ca 0.39 0.13 -0.05 0.00 0.00 0.00 0.00 61.98 62.45 2uu9 s VAL 53 Cb 0.18 -3.52 0.01 0.00 0.00 0.00 0.00 36.38 33.05 2uu9 s VAL 53 CO -0.06 -0.49 0.66 -0.67 0.00 0.00 0.00 175.10 174.53 2uu9 n ASP 54 N 13.99 -4.30 0.00 3.32 2.03 -1.26 -3.18 116.55 127.16 2uu9 n ASP 54 Ca 0.28 -0.31 0.00 0.00 0.52 0.00 0.00 54.79 55.28 2uu9 n ASP 54 Cb 0.53 -3.04 0.00 0.00 -0.72 0.00 0.00 41.12 37.89 2uu9 n ASP 54 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2uu9 n GLY 55 N -1.33 2.76 3.88 0.27 0.00 -1.16 -5.01 105.19 104.59 2uu9 n GLY 55 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 2uu9 n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2uu9 s LYS 56 N -0.23 3.27 -0.28 1.61 3.01 -1.19 -5.04 119.74 120.90 2uu9 s LYS 56 Ca 0.00 -0.50 -0.29 0.00 -1.01 0.00 0.00 55.97 54.17 2uu9 s LYS 56 Cb 0.00 -2.95 0.01 0.00 -1.01 0.00 0.00 37.83 33.88 2uu9 s LYS 56 CO 0.00 0.60 1.11 -1.25 0.51 0.00 0.00 175.35 176.32 2uu9 s PRO 57 N -2.43 4.12 0.01 -1.68 0.04 -1.26 -1.86 135.00 131.94 2uu9 s PRO 57 Ca 0.33 1.22 0.00 0.00 0.04 0.00 0.00 61.00 62.59 2uu9 s PRO 57 Cb -0.13 -3.73 -0.00 0.00 0.04 0.00 0.00 34.50 30.68 2uu9 s PRO 57 CO 0.25 -0.83 0.00 0.66 0.04 0.00 0.00 177.00 177.12 2uu9 n TYR 58 N 6.78 0.02 -3.53 0.56 4.02 -0.75 -0.80 117.16 123.46 2uu9 n TYR 58 Ca 0.12 -0.05 -0.23 0.00 -0.01 0.00 0.00 57.90 57.74 2uu9 n TYR 58 Cb 0.47 -0.01 -0.14 0.00 -0.02 0.00 0.00 39.34 39.64 2uu9 n TYR 58 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 2uu9 s LEU 59 N 0.00 0.15 -0.21 7.72 1.43 -0.43 -2.99 118.68 124.35 2uu9 s LEU 59 Ca 0.00 -0.61 -0.29 0.00 -1.03 0.00 0.00 54.13 52.20 2uu9 s LEU 59 Cb 0.00 0.05 -0.02 0.00 0.03 0.00 0.00 46.19 46.25 2uu9 s LEU 59 CO 0.00 -0.36 1.56 -0.13 0.23 0.00 0.00 176.35 177.65 2uu9 s ARG 60 N 2.23 3.86 -0.34 1.70 1.81 -0.21 -3.19 118.95 124.81 2uu9 s ARG 60 Ca 0.06 1.66 -0.11 0.00 -1.72 0.00 0.00 55.73 55.62 2uu9 s ARG 60 Cb -0.16 -4.00 0.00 0.00 -0.45 0.00 0.00 34.95 30.35 2uu9 s ARG 60 CO -0.18 -1.20 0.20 0.08 -0.68 0.00 0.00 175.30 173.52 2uu9 s VAL 61 N 4.92 4.80 -0.36 3.52 1.01 0.56 -2.24 120.40 132.60 2uu9 s VAL 61 Ca 0.69 -0.52 -0.22 0.00 0.00 0.00 0.00 61.98 61.93 2uu9 s VAL 61 Cb -0.24 -3.54 0.01 0.00 0.00 0.00 0.00 36.38 32.60 2uu9 s VAL 61 CO 0.28 -0.07 0.70 -0.31 0.00 0.00 0.00 175.10 175.70 2uu9 s TYR 62 N 1.63 3.14 0.48 5.22 2.02 0.16 -2.30 117.35 127.69 2uu9 s TYR 62 Ca 0.04 0.44 -0.12 0.00 -0.37 0.00 0.00 57.07 57.07 2uu9 s TYR 62 Cb -0.18 -3.25 -0.06 0.00 -0.40 0.00 0.00 41.96 38.07 2uu9 s TYR 62 CO 0.08 -0.67 0.87 -0.51 -1.57 0.00 0.00 175.55 173.75 2uu9 s LEU 63 N 2.87 3.66 0.17 -1.29 2.01 -0.76 -0.34 118.68 125.00 2uu9 s LEU 63 Ca 0.27 1.28 0.10 0.00 0.01 0.00 0.00 54.13 55.79 2uu9 s LEU 63 Cb -0.14 -4.21 -0.04 0.00 0.01 0.00 0.00 46.19 41.81 2uu9 s LEU 63 CO 0.16 -0.54 -0.16 -0.54 1.01 0.00 0.00 176.35 176.27 2uu9 s LYS 64 N -4.20 1.82 0.14 1.70 1.02 -1.26 -4.48 119.74 114.48 2uu9 s LYS 64 Ca 0.54 -1.33 -0.10 0.00 0.02 0.00 0.00 55.97 55.10 2uu9 s LYS 64 Cb -0.10 -2.05 -0.00 0.00 -0.52 0.00 0.00 37.83 35.16 2uu9 s LYS 64 CO 0.36 0.43 0.27 0.71 -0.92 0.00 0.00 175.35 176.21 2uu9 s TYR 65 N -1.55 0.25 0.00 3.18 1.51 -1.26 -3.98 117.35 115.49 2uu9 s TYR 65 Ca 0.22 -0.63 0.00 0.00 -1.01 0.00 0.00 57.07 55.65 2uu9 s TYR 65 Cb -0.09 -0.01 0.00 0.00 -0.11 0.00 0.00 41.96 41.75 2uu9 s TYR 65 CO 0.12 -0.67 0.00 0.41 -1.11 0.00 0.00 175.55 174.30 2uu9 n GLY 66 N -0.17 -2.14 3.86 0.71 0.00 0.43 -4.89 105.19 102.97 2uu9 n GLY 66 Ca -0.11 -1.44 -0.33 0.00 0.00 0.00 0.00 46.02 44.15 2uu9 n GLY 66 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2uu9 s PRO 67 N -1.16 3.93 0.66 1.61 0.04 -1.26 -4.73 135.00 134.09 2uu9 s PRO 67 Ca 0.00 0.50 -0.17 0.00 0.04 0.00 0.00 61.00 61.37 2uu9 s PRO 67 Cb 0.00 -2.59 -0.05 0.00 0.04 0.00 0.00 34.50 31.90 2uu9 s PRO 67 CO 0.00 0.27 0.61 -2.13 0.04 0.00 0.00 177.00 175.78 2uu9 n ARG 68 N -0.10 0.45 -4.55 4.56 0.63 -1.26 -4.33 116.66 112.06 2uu9 n ARG 68 Ca 0.01 0.19 -0.32 0.00 -0.92 0.00 0.00 57.85 56.81 2uu9 n ARG 68 Cb 0.53 -1.85 -0.05 0.00 0.45 0.00 0.00 32.46 31.53 2uu9 n ARG 68 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2uu9 s ARG 69 N -2.59 2.23 0.00 -0.14 0.52 -0.12 -4.92 118.95 113.93 2uu9 s ARG 69 Ca 0.68 -2.33 0.00 0.00 -0.52 0.00 0.00 55.73 53.56 2uu9 s ARG 69 Cb -0.39 -1.67 0.00 0.00 0.52 0.00 0.00 34.95 33.42 2uu9 s ARG 69 CO 0.55 -0.46 0.00 1.04 0.02 0.00 0.00 175.30 176.45 2uu9 n GLN 70 N -1.42 2.70 0.00 3.54 1.13 -1.26 -4.59 117.38 117.47 2uu9 n GLN 70 Ca -0.16 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.90 2uu9 n GLN 70 Cb 0.66 0.00 0.00 0.00 0.11 0.00 0.00 30.24 31.01 2uu9 n GLN 70 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2uu9 n GLY 71 N 0.00 0.00 3.80 1.08 0.00 -1.26 -4.32 105.19 104.49 2uu9 n GLY 71 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2uu9 n GLY 71 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2uu9 s PRO 72 N 0.00 2.33 -0.47 1.61 0.04 -1.26 -4.23 135.00 133.02 2uu9 s PRO 72 Ca 0.00 0.81 -0.37 0.00 0.04 0.00 0.00 61.00 61.48 2uu9 s PRO 72 Cb 0.00 -1.93 0.06 0.00 0.04 0.00 0.00 34.50 32.66 2uu9 s PRO 72 CO 0.00 -1.49 0.66 -3.47 0.04 0.00 0.00 177.00 172.74 2uu9 n ASP 73 N -3.37 -5.48 -0.35 6.66 4.64 -1.26 -4.79 116.55 112.59 2uu9 n ASP 73 Ca 0.07 -0.20 0.01 0.00 -1.38 0.00 0.00 54.79 53.29 2uu9 n ASP 73 Cb 0.55 -1.69 0.05 0.00 -1.04 0.00 0.00 41.12 38.99 2uu9 n ASP 73 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 2uu9 n PRO 74 N -0.34 1.32 -1.76 -0.67 -0.04 -1.26 -4.88 135.00 127.38 2uu9 n PRO 74 Ca -0.10 -0.37 -0.42 0.00 -0.04 0.00 0.00 63.50 62.57 2uu9 n PRO 74 Cb 0.68 -1.26 -0.01 0.00 -0.04 0.00 0.00 33.50 32.88 2uu9 n PRO 74 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2uu9 n ARG 75 N -0.11 2.63 -2.22 0.54 1.74 -1.26 -0.94 116.66 117.03 2uu9 n ARG 75 Ca 0.03 0.93 -0.37 0.00 -0.77 0.00 0.00 57.85 57.67 2uu9 n ARG 75 Cb 0.18 -2.66 -0.01 0.00 -1.02 0.00 0.00 32.46 28.95 2uu9 n ARG 75 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2uu9 s PRO 76 N -1.45 3.70 0.64 5.56 0.04 -1.26 -4.50 135.00 137.73 2uu9 s PRO 76 Ca 0.58 1.80 -0.18 0.00 0.04 0.00 0.00 61.00 63.25 2uu9 s PRO 76 Cb -0.49 -2.39 -0.03 0.00 0.04 0.00 0.00 34.50 31.63 2uu9 s PRO 76 CO 0.58 -0.61 1.03 -1.91 0.04 0.00 0.00 177.00 176.13 2uu9 n GLU 77 N -0.54 0.86 -2.98 4.56 2.13 -1.26 -4.63 120.64 118.77 2uu9 n GLU 77 Ca 0.08 0.34 -0.33 0.00 0.66 0.00 0.00 57.16 57.91 2uu9 n GLU 77 Cb 0.48 -2.25 -0.07 0.00 0.27 0.00 0.00 31.44 29.87 2uu9 n GLU 77 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 2uu9 s GLN 78 N -2.99 4.14 -0.06 5.31 -1.52 -1.26 -0.43 119.66 122.84 2uu9 s GLN 78 Ca 0.78 0.91 -0.02 0.00 -1.95 0.00 0.00 55.36 55.07 2uu9 s GLN 78 Cb -0.39 -2.35 -0.26 0.00 -0.22 0.00 0.00 33.01 29.78 2uu9 s GLN 78 CO 0.46 0.09 0.59 0.28 -0.25 0.00 0.00 175.29 176.45 2uu9 h VAL 79 N 1.99 0.84 -3.49 1.09 2.07 -1.91 -3.39 116.25 113.45 2uu9 h VAL 79 Ca -0.48 -2.55 -0.77 0.00 0.82 0.00 0.00 66.70 63.71 2uu9 h VAL 79 Cb 1.18 2.58 -0.30 0.00 -1.52 0.00 0.00 31.29 33.22 2uu9 h VAL 79 CO 0.63 0.79 0.29 -0.63 0.02 0.00 0.00 177.57 178.66 2uu9 s ILE 80 N -2.58 5.50 -0.90 4.57 1.01 -1.26 -4.87 121.20 122.67 2uu9 s ILE 80 Ca -0.14 -3.57 0.20 0.00 0.00 0.00 0.00 60.65 57.13 2uu9 s ILE 80 Cb 0.07 -4.33 0.17 0.00 0.01 0.00 0.00 42.46 38.38 2uu9 s ILE 80 CO 0.81 -1.16 1.61 1.41 0.00 0.00 0.00 174.94 177.62 2uu9 n HIS 81 N 2.58 0.18 -3.37 3.97 8.25 0.13 -4.71 115.22 122.25 2uu9 n HIS 81 Ca 0.23 0.07 0.02 0.00 -0.26 0.00 0.00 57.72 57.78 2uu9 n HIS 81 Cb 0.38 -0.61 -0.03 0.00 1.12 0.00 0.00 29.99 30.86 2uu9 n HIS 81 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2uu9 s HIS 82 N -3.06 -0.96 -0.30 4.41 5.65 0.18 -4.97 115.29 116.25 2uu9 s HIS 82 Ca 0.08 1.41 -0.02 0.00 0.25 0.00 0.00 55.06 56.79 2uu9 s HIS 82 Cb 0.12 0.48 0.10 0.00 -1.18 0.00 0.00 32.58 32.10 2uu9 s HIS 82 CO 0.36 -0.49 0.10 -1.50 -0.65 0.00 0.00 174.74 172.56 2uu9 s ILE 83 N 2.70 0.62 -0.11 0.89 2.07 -1.26 -0.83 121.20 125.29 2uu9 s ILE 83 Ca 0.01 -1.18 -0.00 0.00 -1.41 0.00 0.00 60.65 58.06 2uu9 s ILE 83 Cb -0.10 -1.45 -0.02 0.00 0.13 0.00 0.00 42.46 41.02 2uu9 s ILE 83 CO -0.17 -0.66 -0.09 -0.60 -1.91 0.00 0.00 174.94 171.51 2uu9 s ARG 84 N 1.75 3.15 -0.02 3.50 3.52 -0.81 -4.86 118.95 125.19 2uu9 s ARG 84 Ca 0.09 -0.60 -0.28 0.00 -0.13 0.00 0.00 55.73 54.81 2uu9 s ARG 84 Cb -0.17 -2.66 -0.03 0.00 -1.56 0.00 0.00 34.95 30.53 2uu9 s ARG 84 CO -0.27 0.42 0.91 0.50 -0.81 0.00 0.00 175.30 176.05 2uu9 s ARG 85 N -0.15 4.53 0.00 5.12 3.00 -1.26 -1.88 118.95 128.30 2uu9 s ARG 85 Ca 0.01 1.28 0.00 0.00 -1.00 0.00 0.00 55.73 56.03 2uu9 s ARG 85 Cb -0.13 -3.46 0.00 0.00 0.00 0.00 0.00 34.95 31.36 2uu9 s ARG 85 CO 0.03 -0.02 0.00 -0.89 0.00 0.00 0.00 175.30 174.42 2uu9 n ILE 86 N 3.85 0.00 -1.99 4.11 5.41 -1.13 -4.92 119.36 124.70 2uu9 n ILE 86 Ca 0.04 0.00 -0.42 0.00 1.00 0.00 0.00 62.75 63.37 2uu9 n ILE 86 Cb 0.51 -0.90 -0.03 0.00 -0.71 0.00 0.00 39.64 38.51 2uu9 n ILE 86 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 2uu9 s SER 87 N -0.90 6.48 0.22 4.38 0.15 -0.83 -4.81 113.70 118.39 2uu9 s SER 87 Ca 0.00 2.06 0.10 0.00 0.70 0.00 0.00 55.95 58.81 2uu9 s SER 87 Cb 0.00 -2.53 -0.05 0.00 -1.71 0.00 0.00 66.02 61.73 2uu9 s SER 87 CO 0.00 -1.11 -0.19 -0.54 1.20 0.00 0.00 173.24 172.60 2uu9 s LYS 88 N 4.43 1.48 0.16 5.44 1.02 -0.71 -4.81 119.74 126.74 2uu9 s LYS 88 Ca 0.76 -1.60 -0.34 0.00 0.02 0.00 0.00 55.97 54.81 2uu9 s LYS 88 Cb -0.31 -1.54 -0.14 0.00 -0.52 0.00 0.00 37.83 35.31 2uu9 s LYS 88 CO 0.31 0.30 1.56 -2.30 -0.92 0.00 0.00 175.35 174.30 2uu9 n PRO 89 N -0.18 2.09 -2.30 -1.68 -0.02 -1.26 -1.52 135.00 130.13 2uu9 n PRO 89 Ca -0.09 0.75 -0.07 0.00 -2.02 0.00 0.00 63.50 62.08 2uu9 n PRO 89 Cb 0.59 -2.52 0.03 0.00 -0.02 0.00 0.00 33.50 31.58 2uu9 n PRO 89 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2uu9 n GLY 90 N 3.36 -0.05 0.00 -1.23 0.00 -1.26 -4.84 105.19 101.17 2uu9 n GLY 90 Ca 0.17 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.31 2uu9 n GLY 90 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2uu9 n ARG 91 N -2.29 0.00 -2.29 1.61 0.00 -0.57 -5.13 116.66 107.99 2uu9 n ARG 91 Ca -0.03 0.00 -0.39 0.00 -0.00 0.00 0.00 57.85 57.43 2uu9 n ARG 91 Cb 0.55 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 32.99 2uu9 n ARG 91 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 2uu9 s ARG 92 N 0.00 4.24 -0.23 -0.14 1.81 -0.96 -1.74 118.95 121.93 2uu9 s ARG 92 Ca 0.00 1.92 0.00 0.00 -1.72 0.00 0.00 55.73 55.93 2uu9 s ARG 92 Cb 0.00 -2.87 0.03 0.00 -0.45 0.00 0.00 34.95 31.66 2uu9 s ARG 92 CO 0.00 -0.18 -0.12 0.08 -0.68 0.00 0.00 175.30 174.40 2uu9 s VAL 93 N -1.30 2.43 -0.03 3.52 1.01 -1.26 -4.88 120.40 119.90 2uu9 s VAL 93 Ca 0.53 -1.13 0.05 0.00 0.00 0.00 0.00 61.98 61.42 2uu9 s VAL 93 Cb -0.33 -2.21 -0.03 0.00 0.00 0.00 0.00 36.38 33.81 2uu9 s VAL 93 CO 0.42 0.27 -0.16 -0.31 0.00 0.00 0.00 175.10 175.32 2uu9 s TYR 94 N 1.26 2.65 0.03 5.22 4.12 -1.26 -1.14 117.35 128.23 2uu9 s TYR 94 Ca -0.00 -0.20 0.04 0.00 0.02 0.00 0.00 57.07 56.93 2uu9 s TYR 94 Cb -0.16 -1.59 -0.02 0.00 -1.52 0.00 0.00 41.96 38.67 2uu9 s TYR 94 CO -0.08 0.18 -0.11 0.14 0.02 0.00 0.00 175.55 175.71 2uu9 s VAL 95 N -0.77 0.85 0.86 0.71 -7.23 -0.19 -4.93 120.40 109.70 2uu9 s VAL 95 Ca 0.12 -0.87 -0.12 0.00 -1.81 0.00 0.00 61.98 59.30 2uu9 s VAL 95 Cb -0.11 -0.79 0.11 0.00 0.56 0.00 0.00 36.38 36.15 2uu9 s VAL 95 CO 0.02 -0.06 1.13 -0.83 -0.31 0.00 0.00 175.10 175.04 2uu9 s GLY 96 N -1.05 1.59 0.38 2.32 0.00 -1.26 -1.78 107.32 107.52 2uu9 s GLY 96 Ca -0.01 -0.47 0.10 0.00 0.00 0.00 0.00 44.72 44.34 2uu9 s GLY 96 CO 0.01 0.04 1.89 -0.24 0.00 0.00 0.00 173.10 174.80 2uu9 h VAL 97 N -1.30 1.20 0.00 1.40 3.04 -1.91 -0.64 116.25 118.03 2uu9 h VAL 97 Ca -0.49 -0.90 0.00 0.00 -1.01 0.00 0.00 66.70 64.30 2uu9 h VAL 97 Cb 1.31 1.35 0.00 0.00 -2.01 0.00 0.00 31.29 31.94 2uu9 h VAL 97 CO 0.62 0.27 0.00 0.29 -1.01 0.00 0.00 177.57 177.74 2uu9 n LYS 98 N -4.23 0.40 -0.24 4.17 5.02 -1.26 -2.89 118.16 119.13 2uu9 n LYS 98 Ca -0.01 0.06 0.07 0.00 -2.02 0.00 0.00 58.31 56.41 2uu9 n LYS 98 Cb 0.31 -1.50 0.17 0.00 -0.02 0.00 0.00 35.03 33.99 2uu9 n LYS 98 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2uu9 n GLU 99 N -1.22 2.55 -2.56 1.97 1.02 -0.26 -4.98 120.64 117.16 2uu9 n GLU 99 Ca 0.12 -2.43 -0.42 0.00 -0.02 0.00 0.00 57.16 54.41 2uu9 n GLU 99 Cb 0.15 -1.52 -0.03 0.00 -0.02 0.00 0.00 31.44 30.02 2uu9 n GLU 99 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2uu9 s ILE 100 N -2.19 4.46 0.73 -3.67 1.01 -1.14 -4.74 121.20 115.67 2uu9 s ILE 100 Ca 0.30 1.77 -0.13 0.00 0.00 0.00 0.00 60.65 62.58 2uu9 s ILE 100 Cb 0.23 -4.13 0.04 0.00 0.01 0.00 0.00 42.46 38.61 2uu9 s ILE 100 CO 0.08 0.09 1.13 -2.16 0.00 0.00 0.00 174.94 174.07 2uu9 s PRO 101 N 1.44 2.34 -0.54 2.79 0.04 -1.26 -5.02 135.00 134.79 2uu9 s PRO 101 Ca 0.54 1.42 -0.03 0.00 0.04 0.00 0.00 61.00 62.97 2uu9 s PRO 101 Cb -0.24 -1.89 0.14 0.00 0.04 0.00 0.00 34.50 32.55 2uu9 s PRO 101 CO 0.26 -1.61 0.35 1.03 0.04 0.00 0.00 177.00 177.07 2uu9 s ARG 102 N -4.33 2.37 -0.48 4.56 0.52 -1.26 -4.89 118.95 115.44 2uu9 s ARG 102 Ca 0.67 -2.23 -0.27 0.00 -0.52 0.00 0.00 55.73 53.37 2uu9 s ARG 102 Cb -0.21 -3.70 -0.03 0.00 0.52 0.00 0.00 34.95 31.53 2uu9 s ARG 102 CO 0.48 -1.14 1.90 0.08 0.02 0.00 0.00 175.30 176.64 2uu9 s VAL 103 N 0.45 3.36 -1.09 3.52 1.01 -1.26 -3.71 120.40 122.68 2uu9 s VAL 103 Ca 0.13 0.30 -0.06 0.00 0.00 0.00 0.00 61.98 62.35 2uu9 s VAL 103 Cb -0.21 -3.71 -0.05 0.00 0.00 0.00 0.00 36.38 32.41 2uu9 s VAL 103 CO -0.04 -0.60 0.92 0.54 0.00 0.00 0.00 175.10 175.93 2uu9 n ARG 104 N 8.85 -2.99 -1.86 2.72 5.12 -1.26 -1.64 116.66 125.60 2uu9 n ARG 104 Ca 0.23 0.84 -0.02 0.00 -1.93 0.00 0.00 57.85 56.97 2uu9 n ARG 104 Cb 0.50 -5.73 -0.00 0.00 -1.16 0.00 0.00 32.46 26.07 2uu9 n ARG 104 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2uu9 n ARG 105 N -3.46 -2.07 0.00 5.56 5.12 -1.24 0.99 116.66 121.56 2uu9 n ARG 105 Ca -0.11 0.10 0.00 0.00 -1.93 0.00 0.00 57.85 55.91 2uu9 n ARG 105 Cb 0.63 -4.40 0.00 0.00 -1.16 0.00 0.00 32.46 27.52 2uu9 n ARG 105 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2uu9 n GLY 106 N -0.32 2.87 0.00 -0.13 0.00 -0.89 -4.93 105.19 101.79 2uu9 n GLY 106 Ca -0.02 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.01 2uu9 n GLY 106 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2uu9 n LEU 107 N 0.00 0.00 0.00 0.99 4.77 0.28 -4.69 117.00 118.34 2uu9 n LEU 107 Ca 0.00 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 2uu9 n LEU 107 Cb 0.00 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 2uu9 n LEU 107 CO 0.00 -0.21 0.00 0.61 -1.33 0.00 0.00 177.39 176.46 2uu9 n GLY 108 N -1.02 3.46 0.45 -0.72 0.00 -0.65 -4.93 105.19 101.77 2uu9 n GLY 108 Ca 0.01 -1.46 -0.03 0.00 0.00 0.00 0.00 46.02 44.54 2uu9 n GLY 108 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2uu9 n ILE 109 N 0.00 0.00 -3.72 -0.61 -5.35 0.04 -4.59 119.36 105.13 2uu9 n ILE 109 Ca 0.00 -0.32 -0.13 0.00 -0.27 0.00 0.00 62.75 62.03 2uu9 n ILE 109 Cb 0.00 0.12 -0.10 0.00 -1.74 0.00 0.00 39.64 37.93 2uu9 n ILE 109 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2uu9 s ALA 110 N -2.15 -1.11 -0.27 -1.28 0.00 -1.26 -2.61 121.76 113.07 2uu9 s ALA 110 Ca 0.03 1.32 0.03 0.00 0.00 0.00 0.00 51.96 53.35 2uu9 s ALA 110 Cb 0.00 -0.78 0.07 0.00 0.00 0.00 0.00 23.12 22.41 2uu9 s ALA 110 CO 0.02 -0.22 -0.08 0.42 0.00 0.00 0.00 175.76 175.90 2uu9 s ILE 111 N 0.46 2.17 0.19 0.00 1.01 -0.34 -0.23 121.20 124.45 2uu9 s ILE 111 Ca -0.02 -1.74 0.07 0.00 0.00 0.00 0.00 60.65 58.96 2uu9 s ILE 111 Cb -0.04 -2.33 -0.04 0.00 0.01 0.00 0.00 42.46 40.06 2uu9 s ILE 111 CO -0.02 -0.12 0.07 -1.48 0.00 0.00 0.00 174.94 173.38 2uu9 s LEU 112 N 1.08 3.52 -0.32 2.97 2.34 -0.88 -1.07 118.68 126.33 2uu9 s LEU 112 Ca -0.06 -0.31 -0.10 0.00 0.06 0.00 0.00 54.13 53.72 2uu9 s LEU 112 Cb -0.20 -2.14 -0.01 0.00 -0.56 0.00 0.00 46.19 43.29 2uu9 s LEU 112 CO -0.06 0.06 0.17 -0.55 -1.06 0.00 0.00 176.35 174.91 2uu9 s SER 113 N -3.15 5.64 0.35 1.48 0.15 0.62 -1.09 113.70 117.70 2uu9 s SER 113 Ca 0.29 -0.53 0.08 0.00 0.70 0.00 0.00 55.95 56.50 2uu9 s SER 113 Cb -0.09 -2.02 -0.03 0.00 -1.71 0.00 0.00 66.02 62.16 2uu9 s SER 113 CO 0.21 -0.21 0.24 0.42 1.20 0.00 0.00 173.24 175.10 2uu9 s THR 114 N 1.63 3.13 -1.07 6.45 -4.23 0.17 -1.66 115.64 120.06 2uu9 s THR 114 Ca 0.05 -1.52 0.04 0.00 -1.18 0.00 0.00 61.69 59.08 2uu9 s THR 114 Cb -0.17 -3.06 0.04 0.00 1.34 0.00 0.00 72.50 70.64 2uu9 s THR 114 CO 0.07 -0.14 1.09 -1.54 -0.54 0.00 0.00 174.62 173.56 2uu9 n SER 115 N -1.30 0.00 -1.18 3.99 3.41 -1.26 0.80 113.62 118.08 2uu9 n SER 115 Ca -0.02 0.46 0.08 0.00 -0.26 0.00 0.00 58.87 59.13 2uu9 n SER 115 Cb 0.61 -0.47 0.28 0.00 -0.26 0.00 0.00 64.21 64.38 2uu9 n SER 115 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2uu9 n LYS 116 N -1.47 3.31 0.00 4.33 5.02 -1.26 -5.07 118.16 123.02 2uu9 n LYS 116 Ca 0.01 -2.65 0.00 0.00 -2.02 0.00 0.00 58.31 53.65 2uu9 n LYS 116 Cb 0.04 -1.71 0.00 0.00 -0.02 0.00 0.00 35.03 33.35 2uu9 n LYS 116 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2uu9 n GLY 117 N 0.64 1.07 3.69 0.72 0.00 0.24 -4.98 105.19 106.57 2uu9 n GLY 117 Ca 0.21 -2.11 -0.42 0.00 0.00 0.00 0.00 46.02 43.70 2uu9 n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2uu9 s VAL 118 N -1.49 4.69 0.04 1.61 1.01 -1.26 -0.66 120.40 124.35 2uu9 s VAL 118 Ca 0.00 1.96 -0.13 0.00 0.00 0.00 0.00 61.98 63.82 2uu9 s VAL 118 Cb 0.00 -4.26 0.02 0.00 0.00 0.00 0.00 36.38 32.13 2uu9 s VAL 118 CO 0.00 0.01 0.28 -1.48 0.00 0.00 0.00 175.10 173.91 2uu9 s LEU 119 N 2.00 0.99 0.77 3.92 2.34 -0.25 -4.95 118.68 123.50 2uu9 s LEU 119 Ca 0.50 -0.23 -0.12 0.00 0.06 0.00 0.00 54.13 54.34 2uu9 s LEU 119 Cb -0.20 1.26 0.06 0.00 -0.56 0.00 0.00 46.19 46.76 2uu9 s LEU 119 CO 0.19 -0.60 1.12 0.42 -1.06 0.00 0.00 176.35 176.42 2uu9 s THR 120 N -2.54 2.96 0.28 5.48 -4.23 -1.26 -2.06 115.64 114.27 2uu9 s THR 120 Ca -0.05 0.35 0.02 0.00 -1.18 0.00 0.00 61.69 60.83 2uu9 s THR 120 Cb -0.01 -2.76 0.27 0.00 1.34 0.00 0.00 72.50 71.34 2uu9 s THR 120 CO -0.03 -0.37 1.74 -2.24 -0.54 0.00 0.00 174.62 173.18 2uu9 h ASP 121 N -0.97 0.47 -0.12 3.99 2.03 -0.96 0.85 116.42 121.72 2uu9 h ASP 121 Ca -0.44 0.12 -0.00 0.00 -0.73 0.00 0.00 57.03 55.97 2uu9 h ASP 121 Cb 1.25 0.05 -0.01 0.00 -0.83 0.00 0.00 39.33 39.80 2uu9 h ASP 121 CO 0.50 0.13 0.06 0.08 -1.03 0.00 0.00 179.24 178.98 2uu9 h ARG 122 N 0.54 0.18 0.54 4.15 -0.00 -1.91 -1.51 114.38 116.37 2uu9 h ARG 122 Ca 0.51 -0.03 -0.02 0.00 -0.00 0.00 0.00 59.98 60.45 2uu9 h ARG 122 Cb 0.85 -0.03 -0.01 0.00 -0.00 0.00 0.00 29.97 30.78 2uu9 h ARG 122 CO -0.43 0.24 -0.33 0.93 -0.00 0.00 0.00 179.97 180.38 2uu9 h GLU 123 N 0.07 -0.80 -0.77 0.08 5.08 -1.39 0.96 114.58 117.80 2uu9 h GLU 123 Ca 0.04 0.05 0.15 0.00 -1.00 0.00 0.00 59.36 58.61 2uu9 h GLU 123 Cb 0.12 0.18 -0.10 0.00 0.50 0.00 0.00 28.75 29.45 2uu9 h GLU 123 CO -0.01 -0.53 0.30 0.00 -1.00 0.00 0.00 179.01 177.77 2uu9 h ALA 124 N -0.43 1.10 -0.15 3.43 0.00 -0.92 0.42 119.26 122.72 2uu9 h ALA 124 Ca -0.06 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2uu9 h ALA 124 Cb 0.67 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 2uu9 h ALA 124 CO 0.06 -0.24 0.09 0.00 0.00 0.00 0.00 179.25 179.16 2uu9 h ARG 125 N 0.42 0.20 0.60 0.00 3.08 -0.87 -0.65 114.38 117.17 2uu9 h ARG 125 Ca 0.43 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.44 2uu9 h ARG 125 Cb 0.69 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.69 2uu9 h ARG 125 CO -0.43 0.19 -0.42 -0.22 -1.07 0.00 0.00 179.97 178.02 2uu9 h LYS 126 N 0.16 -0.94 0.00 0.04 3.64 0.17 -0.30 116.57 119.33 2uu9 h LYS 126 Ca 0.05 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 2uu9 h LYS 126 Cb 0.04 0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 2uu9 h LYS 126 CO -0.01 -0.63 0.00 1.28 -2.27 0.00 0.00 179.45 177.82 2uu9 n LEU 127 N -5.54 0.00 -3.81 5.20 4.77 0.12 -4.84 117.00 112.90 2uu9 n LEU 127 Ca -0.13 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.57 2uu9 n LEU 127 Cb 0.43 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.56 2uu9 n LEU 127 CO 0.33 0.00 0.16 0.61 -1.33 0.00 0.00 177.39 177.15 2uu9 n GLY 128 N -0.43 -0.51 3.09 -0.72 0.00 -0.13 -5.01 105.19 101.48 2uu9 n GLY 128 Ca 0.03 0.22 -0.07 0.00 0.00 0.00 0.00 46.02 46.19 2uu9 n GLY 128 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2uu9 s VAL 129 N -3.31 0.20 0.14 1.61 -7.23 -0.39 -4.95 120.40 106.48 2uu9 s VAL 129 Ca 0.64 -1.65 0.00 0.00 -1.81 0.00 0.00 61.98 59.16 2uu9 s VAL 129 Cb -0.31 -1.36 0.00 0.00 0.56 0.00 0.00 36.38 35.28 2uu9 s VAL 129 CO 0.80 -0.91 0.03 0.61 -0.31 0.00 0.00 175.10 175.32 2uu9 n GLY 130 N 0.28 3.70 0.00 2.32 0.00 -1.26 -4.38 105.19 105.84 2uu9 n GLY 130 Ca -0.15 -2.24 0.00 0.00 0.00 0.00 0.00 46.02 43.63 2uu9 n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2uu9 n GLY 131 N 3.34 -0.61 3.65 -0.02 0.00 -0.74 -4.48 105.19 106.33 2uu9 n GLY 131 Ca -0.04 -0.63 -0.43 0.00 0.00 0.00 0.00 46.02 44.92 2uu9 n GLY 131 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2uu9 s GLU 132 N -0.91 4.16 -0.83 1.61 2.12 -0.66 -1.02 118.70 123.17 2uu9 s GLU 132 Ca 0.00 1.23 -0.25 0.00 0.36 0.00 0.00 54.97 56.31 2uu9 s GLU 132 Cb 0.00 -3.69 0.01 0.00 0.26 0.00 0.00 34.13 30.71 2uu9 s GLU 132 CO 0.00 -0.77 1.60 -1.17 -0.54 0.00 0.00 175.26 174.38 2uu9 s LEU 133 N 3.44 3.29 0.18 2.70 0.20 -0.29 -0.28 118.68 127.92 2uu9 s LEU 133 Ca 0.45 -0.62 -0.10 0.00 0.69 0.00 0.00 54.13 54.56 2uu9 s LEU 133 Cb -0.14 -2.56 0.06 0.00 -0.43 0.00 0.00 46.19 43.13 2uu9 s LEU 133 CO 0.11 -2.06 1.64 0.40 -0.29 0.00 0.00 176.35 176.15 2uu9 h ILE 134 N 6.71 1.27 0.00 6.68 2.04 -1.40 -2.22 117.51 130.59 2uu9 h ILE 134 Ca -0.05 -1.13 0.00 0.00 1.00 0.00 0.00 64.86 64.68 2uu9 h ILE 134 Cb 1.05 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 37.93 2uu9 h ILE 134 CO 1.29 0.41 0.00 0.00 0.00 0.00 0.00 178.15 179.85 2uu9 s GLU 136 N -2.00 1.04 0.01 0.00 -1.05 -0.79 -1.20 118.70 114.71 2uu9 s GLU 136 Ca 0.00 -0.96 0.00 0.00 -0.15 0.00 0.00 54.97 53.86 2uu9 s GLU 136 Cb 0.00 -1.15 -0.01 0.00 -0.44 0.00 0.00 34.13 32.54 2uu9 s GLU 136 CO 0.00 0.27 -0.01 0.08 0.95 0.00 0.00 175.26 176.55 2uu9 s VAL 137 N -1.04 0.08 0.00 1.83 1.01 -1.07 -1.93 120.40 119.27 2uu9 s VAL 137 Ca 0.03 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 61.68 2uu9 s VAL 137 Cb -0.09 -0.13 0.00 0.00 0.00 0.00 0.00 36.38 36.16 2uu9 s VAL 137 CO 0.02 -0.16 0.00 -2.67 0.00 0.00 0.00 175.10 172.29