#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bp3 s PRO 2 N 0.00 3.29 -0.67 3.97 0.02 -1.26 -4.95 135.00 135.40 1bp3 s PRO 2 Ca 0.00 -0.73 -0.26 0.00 0.02 0.00 0.00 61.00 60.04 1bp3 s PRO 2 Cb 0.00 -4.50 -0.12 0.00 0.02 0.00 0.00 34.50 29.90 1bp3 s PRO 2 CO 0.00 -2.04 2.42 -2.37 -0.33 0.00 0.00 177.00 174.68 1bp3 n THR 3 N 6.27 -0.04 -0.24 0.99 5.66 -1.26 -4.82 114.28 120.86 1bp3 n THR 3 Ca 0.09 -0.62 -0.09 0.00 -3.05 0.00 0.00 64.05 60.38 1bp3 n THR 3 Cb 0.48 -2.29 -0.01 0.00 -1.55 0.00 0.00 70.33 66.96 1bp3 n THR 3 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64 1bp3 n ILE 4 N 8.39 0.02 -2.13 1.09 5.41 -1.26 -4.89 119.36 125.98 1bp3 n ILE 4 Ca 0.43 -0.00 -0.32 0.00 1.00 0.00 0.00 62.75 63.86 1bp3 n ILE 4 Cb 0.47 0.00 -0.00 0.00 -0.71 0.00 0.00 39.64 39.40 1bp3 n ILE 4 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1bp3 s PRO 5 N -0.01 3.52 0.49 0.38 0.04 -1.26 -4.94 135.00 133.22 1bp3 s PRO 5 Ca 0.14 1.09 0.24 0.00 0.04 0.00 0.00 61.00 62.51 1bp3 s PRO 5 Cb -0.20 -2.07 1.27 0.00 0.04 0.00 0.00 34.50 33.55 1bp3 s PRO 5 CO 0.09 -0.64 2.01 -0.07 0.04 0.00 0.00 177.00 178.44 1bp3 h LEU 6 N 0.50 0.00 0.00 -3.56 -0.00 -1.98 -2.91 115.31 107.36 1bp3 h LEU 6 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.41 1bp3 h LEU 6 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.87 1bp3 h LEU 6 CO 0.59 0.16 0.00 -0.24 -0.00 0.00 0.00 178.44 178.95 1bp3 n SER 7 N -3.73 0.00 0.11 -0.43 2.88 -1.26 -0.04 113.62 111.15 1bp3 n SER 7 Ca -0.02 0.85 -0.13 0.00 -1.33 0.00 0.00 58.87 58.25 1bp3 n SER 7 Cb 0.28 -0.39 -0.06 0.00 -0.75 0.00 0.00 64.21 63.29 1bp3 n SER 7 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 1bp3 h ARG 8 N 0.00 -0.34 -0.73 -1.46 9.65 -1.93 0.71 114.38 120.27 1bp3 h ARG 8 Ca 0.00 0.02 0.16 0.00 -1.10 0.00 0.00 59.98 59.07 1bp3 h ARG 8 Cb 0.00 0.08 -0.12 0.00 -1.39 0.00 0.00 29.97 28.54 1bp3 h ARG 8 CO 0.00 -0.22 0.11 -0.07 2.80 0.00 0.00 179.97 182.59 1bp3 h LEU 9 N -0.35 -0.12 0.01 3.80 3.38 -1.12 0.44 115.31 121.36 1bp3 h LEU 9 Ca 0.02 0.16 -0.06 0.00 0.09 0.00 0.00 57.88 58.09 1bp3 h LEU 9 Cb 0.36 0.25 0.01 0.00 0.09 0.00 0.00 40.66 41.36 1bp3 h LEU 9 CO -0.08 -0.09 -0.25 -0.26 0.09 0.00 0.00 178.44 177.84 1bp3 h PHE 10 N 0.20 0.24 -0.59 1.13 0.04 -0.23 -3.24 116.94 114.48 1bp3 h PHE 10 Ca 0.41 -0.14 0.10 0.00 2.80 0.00 0.00 57.97 61.15 1bp3 h PHE 10 Cb 0.72 -0.02 -0.11 0.00 2.20 0.00 0.00 35.95 38.73 1bp3 h PHE 10 CO -0.32 0.97 -0.37 -0.44 -0.60 0.00 0.00 178.31 177.55 1bp3 h ASP 11 N -0.56 -1.28 -0.92 2.17 5.19 0.69 0.24 116.42 121.95 1bp3 h ASP 11 Ca -0.03 0.24 0.06 0.00 -0.62 0.00 0.00 57.03 56.67 1bp3 h ASP 11 Cb 1.04 0.62 -0.06 0.00 0.18 0.00 0.00 39.33 41.11 1bp3 h ASP 11 CO 0.05 -0.32 0.58 0.78 -3.12 0.00 0.00 179.24 177.22 1bp3 h ASN 12 N -0.18 0.93 -0.30 6.45 -0.26 -0.33 -2.85 115.58 119.04 1bp3 h ASN 12 Ca 0.22 0.01 -0.15 0.00 -0.56 0.00 0.00 56.30 55.81 1bp3 h ASN 12 Cb 0.56 -0.19 -0.00 0.00 -1.06 0.00 0.00 38.32 37.63 1bp3 h ASN 12 CO -0.69 0.61 -0.40 0.00 -1.06 0.00 0.00 177.43 175.89 1bp3 h ALA 13 N 1.41 0.45 -0.78 -0.83 0.00 -1.05 -3.17 119.26 115.29 1bp3 h ALA 13 Ca 0.39 -0.45 0.16 0.00 0.00 0.00 0.00 54.91 55.01 1bp3 h ALA 13 Cb 0.13 -0.09 -0.10 0.00 0.00 0.00 0.00 17.79 17.73 1bp3 h ALA 13 CO -0.16 0.56 0.30 1.98 0.00 0.00 0.00 179.25 181.93 1bp3 h MET 14 N 0.56 0.41 -0.21 0.00 -1.53 -0.87 0.25 114.93 113.53 1bp3 h MET 14 Ca 0.03 -0.02 -0.01 0.00 -3.44 0.00 0.00 59.70 56.26 1bp3 h MET 14 Cb 0.99 -0.09 -0.01 0.00 -0.55 0.00 0.00 31.60 31.94 1bp3 h MET 14 CO 0.09 0.27 0.08 -0.07 0.14 0.00 0.00 176.91 177.42 1bp3 h LEU 15 N 0.42 0.30 0.15 3.39 3.38 -1.57 -1.09 115.31 120.29 1bp3 h LEU 15 Ca 0.44 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 58.24 1bp3 h LEU 15 Cb 0.72 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 1bp3 h LEU 15 CO -0.44 0.40 -0.22 0.03 0.09 0.00 0.00 178.44 178.30 1bp3 h ARG 16 N 0.18 -0.42 -0.70 1.13 2.47 -0.98 0.76 114.38 116.82 1bp3 h ARG 16 Ca 0.07 0.03 0.15 0.00 -1.26 0.00 0.00 59.98 58.97 1bp3 h ARG 16 Cb 0.20 0.09 -0.12 0.00 -1.65 0.00 0.00 29.97 28.50 1bp3 h ARG 16 CO -0.00 -0.28 0.01 0.00 0.56 0.00 0.00 179.97 180.26 1bp3 h ALA 17 N 0.33 0.73 -0.65 0.04 0.00 -0.44 -1.68 119.26 117.58 1bp3 h ALA 17 Ca 0.02 0.22 0.02 0.00 0.00 0.00 0.00 54.91 55.16 1bp3 h ALA 17 Cb 0.43 0.37 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 1bp3 h ALA 17 CO -0.09 -0.40 0.42 1.25 0.00 0.00 0.00 179.25 180.42 1bp3 h HIS 18 N 0.12 0.78 -0.59 0.00 -0.00 -0.39 0.26 115.15 115.32 1bp3 h HIS 18 Ca 0.38 0.02 -0.09 0.00 -0.00 0.00 0.00 60.37 60.68 1bp3 h HIS 18 Cb 0.65 -0.26 -0.02 0.00 -0.00 0.00 0.00 27.41 27.78 1bp3 h HIS 18 CO -0.39 0.46 0.01 -0.09 -0.00 0.00 0.00 177.93 177.92 1bp3 h ARG 19 N 0.83 1.02 0.23 5.26 9.65 0.04 -1.51 114.38 129.89 1bp3 h ARG 19 Ca 0.26 -0.31 -0.01 0.00 -1.10 0.00 0.00 59.98 58.82 1bp3 h ARG 19 Cb -0.02 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 28.46 1bp3 h ARG 19 CO -0.09 0.99 -0.11 -0.07 2.80 0.00 0.00 179.97 183.49 1bp3 h LEU 20 N 0.93 -0.26 -1.15 3.80 3.38 -1.14 -1.30 115.31 119.58 1bp3 h LEU 20 Ca 0.17 -0.08 0.06 0.00 0.09 0.00 0.00 57.88 58.12 1bp3 h LEU 20 Cb 0.52 0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.29 1bp3 h LEU 20 CO 0.03 -0.09 0.59 -0.74 0.09 0.00 0.00 178.44 178.31 1bp3 h HIS 21 N -0.42 1.05 -0.06 1.13 2.76 -0.24 -2.96 115.15 116.40 1bp3 h HIS 21 Ca -0.03 0.03 -0.24 0.00 -2.20 0.00 0.00 60.37 57.92 1bp3 h HIS 21 Cb 0.32 -0.35 0.01 0.00 1.55 0.00 0.00 27.41 28.95 1bp3 h HIS 21 CO -0.03 0.56 -0.92 0.37 -1.30 0.00 0.00 177.93 176.62 1bp3 h GLN 22 N 1.04 0.69 -0.16 5.26 5.75 -1.23 -3.11 115.11 123.35 1bp3 h GLN 22 Ca 0.38 -0.66 0.05 0.00 -0.15 0.00 0.00 58.65 58.27 1bp3 h GLN 22 Cb 0.15 0.17 -0.06 0.00 1.07 0.00 0.00 27.48 28.82 1bp3 h GLN 22 CO -0.13 1.26 -0.20 1.25 -2.65 0.00 0.00 178.83 178.35 1bp3 h LEU 23 N 0.42 -0.64 -1.43 -2.39 5.85 -1.08 0.23 115.31 116.28 1bp3 h LEU 23 Ca -0.09 0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.68 1bp3 h LEU 23 Cb 1.56 0.30 -0.01 0.00 0.37 0.00 0.00 40.66 42.87 1bp3 h LEU 23 CO 0.18 -0.25 -0.29 0.00 -0.34 0.00 0.00 178.44 177.74 1bp3 h ALA 24 N 0.78 1.46 0.23 1.25 0.00 -1.66 -2.45 119.26 118.88 1bp3 h ALA 24 Ca 0.11 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1bp3 h ALA 24 Cb 0.41 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1bp3 h ALA 24 CO -0.30 0.36 -0.11 0.35 0.00 0.00 0.00 179.25 179.55 1bp3 h PHE 25 N 0.00 -0.29 0.06 0.00 3.57 -1.26 -3.02 116.94 116.00 1bp3 h PHE 25 Ca -0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1bp3 h PHE 25 Cb 0.53 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.35 1bp3 h PHE 25 CO 0.00 0.00 -0.21 -0.44 -2.23 0.00 0.00 178.31 175.43 1bp3 h ASP 26 N -1.00 -0.63 -0.61 0.41 5.19 -1.01 0.31 116.42 119.07 1bp3 h ASP 26 Ca -0.03 0.07 0.12 0.00 -0.62 0.00 0.00 57.03 56.57 1bp3 h ASP 26 Cb 0.42 0.23 -0.11 0.00 0.18 0.00 0.00 39.33 40.05 1bp3 h ASP 26 CO 0.05 -0.23 -0.12 0.74 -3.12 0.00 0.00 179.24 176.57 1bp3 h THR 27 N -0.31 0.41 0.25 0.35 2.02 -1.63 1.24 112.91 115.24 1bp3 h THR 27 Ca -0.00 -0.01 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 1bp3 h THR 27 Cb 0.31 0.38 -0.00 0.00 -1.74 0.00 0.00 68.15 67.10 1bp3 h THR 27 CO -0.11 0.00 -0.14 0.22 0.37 0.00 0.00 175.52 175.86 1bp3 h TYR 28 N 0.02 -0.37 -0.43 3.16 5.03 -1.33 1.64 116.97 124.69 1bp3 h TYR 28 Ca 0.30 -0.01 0.07 0.00 2.58 0.00 0.00 58.73 61.68 1bp3 h TYR 28 Cb 0.47 0.13 -0.06 0.00 1.55 0.00 0.00 36.73 38.82 1bp3 h TYR 28 CO -0.47 -0.23 0.06 0.37 -1.32 0.00 0.00 178.16 176.57 1bp3 h GLN 29 N -0.37 0.18 -0.08 1.82 4.15 0.25 0.23 115.11 121.28 1bp3 h GLN 29 Ca -0.03 -0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.42 1bp3 h GLN 29 Cb 0.30 -0.04 -0.06 0.00 0.21 0.00 0.00 27.48 27.89 1bp3 h GLN 29 CO 0.03 0.12 -0.36 1.49 -1.93 0.00 0.00 178.83 178.18 1bp3 h GLU 30 N 0.18 -0.45 0.38 1.69 4.81 0.24 -2.25 114.58 119.18 1bp3 h GLU 30 Ca 0.21 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.46 1bp3 h GLU 30 Cb 0.28 0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.77 1bp3 h GLU 30 CO -0.31 -0.30 -0.18 0.35 -0.73 0.00 0.00 179.01 177.84 1bp3 h PHE 31 N -0.47 -0.48 -0.72 0.92 3.04 0.39 -2.88 116.94 116.75 1bp3 h PHE 31 Ca 0.08 -0.01 0.12 0.00 3.98 0.00 0.00 57.97 62.14 1bp3 h PHE 31 Cb 0.59 0.16 -0.09 0.00 2.56 0.00 0.00 35.95 39.17 1bp3 h PHE 31 CO -0.42 -0.18 0.30 1.49 -2.02 0.00 0.00 178.31 177.48 1bp3 h GLU 32 N -0.73 0.46 -0.79 1.11 4.81 -0.60 0.16 114.58 119.00 1bp3 h GLU 32 Ca -0.05 -0.03 0.16 0.00 -0.13 0.00 0.00 59.36 59.31 1bp3 h GLU 32 Cb 0.51 -0.10 -0.10 0.00 0.63 0.00 0.00 28.75 29.68 1bp3 h GLU 32 CO 0.09 0.31 0.31 1.49 -0.73 0.00 0.00 179.01 180.47 1bp3 h GLU 33 N 0.48 0.42 0.00 1.92 4.57 -1.36 -3.23 114.58 117.38 1bp3 h GLU 33 Ca 0.38 -0.03 -0.24 0.00 -1.18 0.00 0.00 59.36 58.29 1bp3 h GLU 33 Cb 0.52 -0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 28.98 1bp3 h GLU 33 CO -0.35 0.28 -1.41 0.00 -1.18 0.00 0.00 179.01 176.34 1bp3 n ALA 34 N -2.52 0.83 -2.94 2.92 0.00 -0.07 -4.73 120.51 113.99 1bp3 n ALA 34 Ca 0.16 -0.61 -0.33 0.00 0.00 0.00 0.00 53.44 52.65 1bp3 n ALA 34 Cb 0.46 -0.33 -0.13 0.00 0.00 0.00 0.00 19.45 19.45 1bp3 n ALA 34 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1bp3 s TYR 35 N -2.39 2.94 -0.59 0.00 1.51 -0.50 -4.69 117.35 113.63 1bp3 s TYR 35 Ca -0.29 -0.37 -0.01 0.00 -1.01 0.00 0.00 57.07 55.40 1bp3 s TYR 35 Cb 0.07 -1.88 0.00 0.00 -0.11 0.00 0.00 41.96 40.04 1bp3 s TYR 35 CO 0.52 -0.04 0.49 -0.89 -1.11 0.00 0.00 175.55 174.52 1bp3 n ILE 36 N 3.35 -2.70 0.04 2.71 2.08 -1.26 -4.18 119.36 119.39 1bp3 n ILE 36 Ca -0.18 -0.21 0.00 0.00 0.56 0.00 0.00 62.75 62.92 1bp3 n ILE 36 Cb 0.53 -3.58 -0.08 0.00 -0.75 0.00 0.00 39.64 35.76 1bp3 n ILE 36 CO 0.00 0.00 0.00 1.55 0.56 0.00 0.00 176.55 178.66 1bp3 h PRO 37 N -0.96 0.00 0.00 0.38 0.13 -1.83 -3.38 132.00 126.34 1bp3 h PRO 37 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1bp3 h PRO 37 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1bp3 h PRO 37 CO 0.24 0.30 0.00 1.63 -0.23 0.00 0.00 178.00 179.94 1bp3 n LYS 38 N -2.91 0.00 0.26 0.86 4.76 -1.26 -4.62 118.16 115.25 1bp3 n LYS 38 Ca -0.09 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.47 1bp3 n LYS 38 Cb 0.84 0.00 0.67 0.00 -1.84 0.00 0.00 35.03 34.70 1bp3 n LYS 38 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 1bp3 h GLU 39 N 0.00 0.00 0.00 1.97 4.57 -2.05 -1.27 114.58 117.81 1bp3 h GLU 39 Ca 0.00 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.11 1bp3 h GLU 39 Cb 0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 1bp3 h GLU 39 CO 0.00 0.14 -0.35 0.37 -1.18 0.00 0.00 179.01 177.99 1bp3 h GLN 40 N 0.00 0.00 0.00 1.92 4.15 -1.91 -3.43 115.11 115.84 1bp3 h GLN 40 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1bp3 h GLN 40 Cb 0.44 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.13 1bp3 h GLN 40 CO 0.02 0.35 0.00 0.36 -1.93 0.00 0.00 178.83 177.63 1bp3 n LYS 41 N -3.60 0.00 -1.54 1.69 2.85 -0.48 -1.45 118.16 115.63 1bp3 n LYS 41 Ca -0.01 0.00 -0.40 0.00 -1.05 0.00 0.00 58.31 56.86 1bp3 n LYS 41 Cb 0.47 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.83 1bp3 n LYS 41 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1bp3 n TYR 42 N 0.00 2.60 0.15 5.58 4.02 -1.26 -4.39 117.16 123.87 1bp3 n TYR 42 Ca 0.00 -3.02 0.08 0.00 -0.01 0.00 0.00 57.90 54.95 1bp3 n TYR 42 Cb 0.00 -2.35 0.06 0.00 -0.02 0.00 0.00 39.34 37.04 1bp3 n TYR 42 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1bp3 h SER 43 N 5.06 0.00 0.30 7.72 4.64 -1.61 -2.32 113.55 127.34 1bp3 h SER 43 Ca 0.79 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 62.09 1bp3 h SER 43 Cb 0.34 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1bp3 h SER 43 CO 1.73 0.22 -0.11 2.19 -0.87 0.00 0.00 176.83 179.99 1bp3 h PHE 44 N 0.00 0.00 -0.54 4.77 -5.15 -1.85 0.47 116.94 114.65 1bp3 h PHE 44 Ca -0.02 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.75 1bp3 h PHE 44 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.36 1bp3 h PHE 44 CO 0.00 0.11 0.00 -0.11 -2.00 0.00 0.00 178.31 176.31 1bp3 n LEU 45 N -3.74 3.46 0.00 2.10 0.00 -0.93 0.13 117.00 118.03 1bp3 n LEU 45 Ca -0.02 -2.02 0.00 0.00 0.00 0.00 0.00 56.01 53.97 1bp3 n LEU 45 Cb 0.22 -0.36 0.00 0.00 0.00 0.00 0.00 43.42 43.27 1bp3 n LEU 45 CO 0.30 0.86 0.00 1.67 0.00 0.00 0.00 177.39 180.22 1bp3 n GLN 46 N 1.05 0.00 -3.44 1.96 0.00 0.16 -4.60 117.38 112.51 1bp3 n GLN 46 Ca 0.18 0.00 -0.13 0.00 -0.00 0.00 0.00 57.00 57.05 1bp3 n GLN 46 Cb 0.53 0.00 -0.03 0.00 0.00 0.00 0.00 30.24 30.75 1bp3 n GLN 46 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.06 176.26 1bp3 s ASN 47 N -3.12 -0.59 0.00 1.69 0.01 -1.26 -5.02 114.94 106.65 1bp3 s ASN 47 Ca 0.00 0.14 0.00 0.00 -0.71 0.00 0.00 52.86 52.29 1bp3 s ASN 47 Cb 0.00 0.59 0.00 0.00 0.41 0.00 0.00 41.25 42.25 1bp3 s ASN 47 CO 0.00 -0.90 0.00 -2.65 -1.51 0.00 0.00 177.10 172.04 1bp3 n PRO 48 N -0.13 0.00 0.00 -0.60 -0.02 -1.26 -2.44 135.00 130.54 1bp3 n PRO 48 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 1bp3 n PRO 48 Cb 0.63 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.11 1bp3 n PRO 48 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1bp3 n GLN 49 N -2.81 0.00 0.27 -0.52 0.00 -1.26 -2.54 117.38 110.52 1bp3 n GLN 49 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 57.00 56.83 1bp3 n GLN 49 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 30.24 30.16 1bp3 n GLN 49 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.06 178.85 1bp3 h THR 50 N 0.00 0.19 -0.74 1.69 1.35 -1.70 -3.35 112.91 110.35 1bp3 h THR 50 Ca 0.00 0.00 0.16 0.00 -0.55 0.00 0.00 66.41 66.02 1bp3 h THR 50 Cb 0.00 0.19 -0.11 0.00 -1.73 0.00 0.00 68.15 66.50 1bp3 h THR 50 CO 0.00 0.00 0.17 -1.28 -0.25 0.00 0.00 175.52 174.16 1bp3 h SER 51 N -0.85 -0.00 -3.87 5.36 0.87 0.14 -3.45 113.55 111.75 1bp3 h SER 51 Ca -0.04 0.15 -0.56 0.00 -1.23 0.00 0.00 61.79 60.11 1bp3 h SER 51 Cb 0.74 0.21 0.15 0.00 -0.44 0.00 0.00 62.40 63.06 1bp3 h SER 51 CO -0.04 -0.05 0.41 0.18 -0.53 0.00 0.00 176.83 176.80 1bp3 n LEU 52 N -5.17 5.02 -4.47 2.23 7.99 -1.14 -4.88 117.00 116.58 1bp3 n LEU 52 Ca 0.14 0.88 -0.33 0.00 -0.01 0.00 0.00 56.01 56.69 1bp3 n LEU 52 Cb 0.47 -1.50 -0.13 0.00 -0.11 0.00 0.00 43.42 42.15 1bp3 n LEU 52 CO 0.12 -1.16 -0.42 0.00 -1.51 0.00 0.00 177.39 174.43 1bp3 h PHE 54 N 5.99 0.00 -0.33 0.00 -0.00 -1.95 -1.72 116.94 118.93 1bp3 h PHE 54 Ca -0.38 0.00 -0.22 0.00 -0.00 0.00 0.00 57.97 57.38 1bp3 h PHE 54 Cb 1.18 0.00 -0.09 0.00 -0.00 0.00 0.00 35.95 37.04 1bp3 h PHE 54 CO 0.52 0.00 0.25 -1.13 -0.00 0.00 0.00 178.31 177.95 1bp3 n SER 55 N -3.46 6.06 0.00 -0.68 3.41 -1.26 -3.32 113.62 114.38 1bp3 n SER 55 Ca -0.01 -2.84 0.00 0.00 -0.26 0.00 0.00 58.87 55.77 1bp3 n SER 55 Cb 0.24 -1.10 0.00 0.00 -0.26 0.00 0.00 64.21 63.09 1bp3 n SER 55 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1bp3 n GLU 56 N 0.82 1.22 -0.10 4.33 0.28 -0.65 -4.77 120.64 121.76 1bp3 n GLU 56 Ca 0.21 -0.09 0.05 0.00 -0.16 0.00 0.00 57.16 57.17 1bp3 n GLU 56 Cb 0.56 -0.43 0.18 0.00 1.43 0.00 0.00 31.44 33.18 1bp3 n GLU 56 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1bp3 n SER 57 N -0.20 1.19 -4.13 -1.84 3.41 -1.21 -4.56 113.62 106.29 1bp3 n SER 57 Ca 0.00 -1.90 -0.33 0.00 -0.26 0.00 0.00 58.87 56.37 1bp3 n SER 57 Cb 0.07 -0.13 -0.15 0.00 -0.26 0.00 0.00 64.21 63.74 1bp3 n SER 57 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1bp3 s ILE 58 N -1.73 2.47 -0.65 -1.33 1.09 -1.26 -4.98 121.20 114.80 1bp3 s ILE 58 Ca 0.19 -1.30 -0.27 0.00 -1.10 0.00 0.00 60.65 58.18 1bp3 s ILE 58 Cb 0.10 -2.31 -0.00 0.00 -1.06 0.00 0.00 42.46 39.18 1bp3 s ILE 58 CO 0.14 0.13 1.64 -2.16 -0.10 0.00 0.00 174.94 174.59 1bp3 s PRO 59 N 1.22 2.86 -0.07 2.79 0.04 -1.26 -4.97 135.00 135.61 1bp3 s PRO 59 Ca -0.03 0.33 -0.03 0.00 0.04 0.00 0.00 61.00 61.30 1bp3 s PRO 59 Cb -0.18 -4.30 -0.04 0.00 0.04 0.00 0.00 34.50 30.03 1bp3 s PRO 59 CO -0.06 -2.48 0.07 0.95 0.04 0.00 0.00 177.00 175.52 1bp3 s THR 60 N 7.76 4.82 0.54 1.26 -4.23 -1.26 -4.96 115.64 119.57 1bp3 s THR 60 Ca 0.56 -0.14 -0.21 0.00 -1.18 0.00 0.00 61.69 60.72 1bp3 s THR 60 Cb -0.11 -3.10 -0.05 0.00 1.34 0.00 0.00 72.50 70.58 1bp3 s THR 60 CO 0.19 0.54 1.22 -2.84 -0.54 0.00 0.00 174.62 173.20 1bp3 s PRO 61 N -1.16 3.26 -0.19 3.99 0.02 -1.26 -5.02 135.00 134.63 1bp3 s PRO 61 Ca 0.16 1.89 0.15 0.00 0.02 0.00 0.00 61.00 63.23 1bp3 s PRO 61 Cb -0.12 -2.14 0.45 0.00 0.02 0.00 0.00 34.50 32.71 1bp3 s PRO 61 CO 0.06 -0.99 1.18 -1.13 -0.33 0.00 0.00 177.00 175.79 1bp3 n SER 62 N -1.13 2.39 -3.59 2.53 3.41 -1.26 -4.91 113.62 111.06 1bp3 n SER 62 Ca 0.11 -3.10 -0.04 0.00 -0.26 0.00 0.00 58.87 55.59 1bp3 n SER 62 Cb 0.48 -0.42 -0.00 0.00 -0.26 0.00 0.00 64.21 64.01 1bp3 n SER 62 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1bp3 s ASN 63 N -3.16 -0.11 0.00 4.04 2.20 -1.26 -5.06 114.94 111.59 1bp3 s ASN 63 Ca 0.39 -0.53 0.00 0.00 -0.94 0.00 0.00 52.86 51.77 1bp3 s ASN 63 Cb 0.38 0.51 0.00 0.00 -2.00 0.00 0.00 41.25 40.14 1bp3 s ASN 63 CO -0.06 -0.98 0.61 -1.14 -2.94 0.00 0.00 177.10 172.59 1bp3 n ARG 64 N -0.54 0.00 0.00 3.55 0.63 -1.26 -1.99 116.66 117.05 1bp3 n ARG 64 Ca -0.05 0.12 0.00 0.00 -0.92 0.00 0.00 57.85 56.99 1bp3 n ARG 64 Cb 0.60 -1.11 0.00 0.00 0.45 0.00 0.00 32.46 32.40 1bp3 n ARG 64 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1bp3 n GLU 65 N -0.85 0.00 0.14 -0.14 1.02 -1.26 0.13 120.64 119.68 1bp3 n GLU 65 Ca 0.00 0.19 0.12 0.00 -0.02 0.00 0.00 57.16 57.45 1bp3 n GLU 65 Cb 0.00 -0.29 0.51 0.00 -0.02 0.00 0.00 31.44 31.64 1bp3 n GLU 65 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1bp3 n GLU 66 N -1.96 0.19 0.01 3.49 0.28 -1.25 -1.38 120.64 120.02 1bp3 n GLU 66 Ca 0.00 0.46 0.11 0.00 -0.16 0.00 0.00 57.16 57.57 1bp3 n GLU 66 Cb 0.00 -1.89 0.13 0.00 1.43 0.00 0.00 31.44 31.11 1bp3 n GLU 66 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 1bp3 n THR 67 N -2.26 0.06 0.74 3.84 -1.04 0.35 -2.67 114.28 113.30 1bp3 n THR 67 Ca 0.02 -0.07 0.08 0.00 -2.04 0.00 0.00 64.05 62.03 1bp3 n THR 67 Cb 0.21 0.34 -0.01 0.00 -1.82 0.00 0.00 70.33 69.04 1bp3 n THR 67 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1bp3 n GLN 68 N -1.65 1.66 -0.01 -2.82 6.02 -0.15 -4.22 117.38 116.21 1bp3 n GLN 68 Ca 0.04 -0.71 -0.17 0.00 -0.01 0.00 0.00 57.00 56.16 1bp3 n GLN 68 Cb 0.36 -1.29 -0.14 0.00 1.02 0.00 0.00 30.24 30.20 1bp3 n GLN 68 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1bp3 n GLN 69 N -0.29 0.71 -2.74 -1.09 6.02 -0.48 -4.89 117.38 114.62 1bp3 n GLN 69 Ca 0.06 0.26 -0.42 0.00 -0.01 0.00 0.00 57.00 56.90 1bp3 n GLN 69 Cb 0.34 -1.72 -0.03 0.00 1.02 0.00 0.00 30.24 29.84 1bp3 n GLN 69 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1bp3 s LYS 70 N -2.57 4.45 0.86 -1.09 -0.14 -1.17 -5.02 119.74 115.07 1bp3 s LYS 70 Ca -0.17 1.33 -0.14 0.00 -1.36 0.00 0.00 55.97 55.63 1bp3 s LYS 70 Cb 0.07 -3.52 0.01 0.00 -1.68 0.00 0.00 37.83 32.71 1bp3 s LYS 70 CO 0.78 -0.22 0.46 0.45 -0.76 0.00 0.00 175.35 176.07 1bp3 n SER 71 N 4.65 -1.70 -0.28 2.83 2.88 -1.26 -4.15 113.62 116.59 1bp3 n SER 71 Ca 0.07 0.43 0.04 0.00 -1.33 0.00 0.00 58.87 58.08 1bp3 n SER 71 Cb 0.50 -1.22 0.13 0.00 -0.75 0.00 0.00 64.21 62.87 1bp3 n SER 71 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 1bp3 h ASN 72 N -1.10 -0.61 -0.20 -3.46 4.21 -1.99 1.07 115.58 113.50 1bp3 h ASN 72 Ca -0.44 0.23 -0.03 0.00 1.21 0.00 0.00 56.30 57.27 1bp3 h ASN 72 Cb 1.31 0.45 -0.01 0.00 -1.12 0.00 0.00 38.32 38.95 1bp3 h ASN 72 CO 0.37 -0.25 0.00 0.25 -1.29 0.00 0.00 177.43 176.52 1bp3 h LEU 73 N 0.03 0.35 -0.35 1.61 5.85 -1.89 -1.59 115.31 119.31 1bp3 h LEU 73 Ca 0.41 -0.30 0.07 0.00 0.84 0.00 0.00 57.88 58.90 1bp3 h LEU 73 Cb 0.68 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.54 1bp3 h LEU 73 CO -0.78 0.57 -0.10 -0.08 -0.34 0.00 0.00 178.44 177.70 1bp3 h GLU 74 N 0.12 -0.02 -0.36 1.25 4.81 0.28 -1.75 114.58 118.91 1bp3 h GLU 74 Ca 0.06 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 1bp3 h GLU 74 Cb 0.38 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 1bp3 h GLU 74 CO 0.01 -0.01 0.19 -0.07 -0.73 0.00 0.00 179.01 178.40 1bp3 h LEU 75 N -0.02 0.45 -0.71 1.64 3.38 0.80 -3.26 115.31 117.59 1bp3 h LEU 75 Ca 0.17 -0.09 0.11 0.00 0.09 0.00 0.00 57.88 58.16 1bp3 h LEU 75 Cb 0.28 -0.11 -0.08 0.00 0.09 0.00 0.00 40.66 40.84 1bp3 h LEU 75 CO -0.37 0.41 0.32 -0.07 0.09 0.00 0.00 178.44 178.82 1bp3 h LEU 76 N 0.45 0.38 -0.13 1.67 3.38 -0.39 -3.12 115.31 117.56 1bp3 h LEU 76 Ca 0.13 0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.21 1bp3 h LEU 76 Cb 0.06 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 1bp3 h LEU 76 CO -0.02 0.21 -0.13 -0.09 0.09 0.00 0.00 178.44 178.50 1bp3 h ARG 77 N 0.54 -0.14 -0.56 1.13 2.43 -1.52 -3.06 114.38 113.19 1bp3 h ARG 77 Ca 0.36 0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.62 1bp3 h ARG 77 Cb 0.44 0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 29.95 1bp3 h ARG 77 CO -0.31 -0.10 0.19 0.82 -1.51 0.00 0.00 179.97 179.07 1bp3 h ILE 78 N -0.15 0.78 -0.52 1.20 2.04 -1.62 0.88 117.51 120.11 1bp3 h ILE 78 Ca 0.09 -0.13 0.10 0.00 1.00 0.00 0.00 64.86 65.92 1bp3 h ILE 78 Cb 0.28 0.38 -0.11 0.00 -0.74 0.00 0.00 36.82 36.64 1bp3 h ILE 78 CO -0.22 0.07 -0.29 0.28 0.00 0.00 0.00 178.15 177.98 1bp3 h SER 79 N 0.37 -1.00 0.69 1.72 0.02 -1.64 0.52 113.55 114.23 1bp3 h SER 79 Ca 0.28 0.20 -0.03 0.00 -0.84 0.00 0.00 61.79 61.40 1bp3 h SER 79 Cb 0.33 0.51 0.01 0.00 0.14 0.00 0.00 62.40 63.38 1bp3 h SER 79 CO -0.29 -0.29 -0.34 0.25 -1.14 0.00 0.00 176.83 175.02 1bp3 h LEU 80 N -0.16 -0.81 -0.36 5.07 5.85 -1.06 -1.31 115.31 122.52 1bp3 h LEU 80 Ca 0.22 0.03 0.05 0.00 0.84 0.00 0.00 57.88 59.03 1bp3 h LEU 80 Cb 0.53 0.21 -0.08 0.00 0.37 0.00 0.00 40.66 41.69 1bp3 h LEU 80 CO -0.62 -0.57 -0.50 -0.07 -0.34 0.00 0.00 178.44 176.34 1bp3 h LEU 81 N -0.94 -1.67 -0.91 2.25 3.38 0.25 0.57 115.31 118.24 1bp3 h LEU 81 Ca -0.09 0.23 0.17 0.00 0.09 0.00 0.00 57.88 58.27 1bp3 h LEU 81 Cb 0.73 0.69 -0.16 0.00 0.09 0.00 0.00 40.66 42.01 1bp3 h LEU 81 CO 0.15 -0.41 -0.29 -0.07 0.09 0.00 0.00 178.44 177.92 1bp3 h LEU 82 N -0.40 -1.07 0.22 1.67 3.38 0.28 0.32 115.31 119.72 1bp3 h LEU 82 Ca 0.09 0.28 0.01 0.00 0.09 0.00 0.00 57.88 58.35 1bp3 h LEU 82 Cb 0.61 0.63 -0.04 0.00 0.09 0.00 0.00 40.66 41.94 1bp3 h LEU 82 CO -0.56 -0.30 -0.52 0.40 0.09 0.00 0.00 178.44 177.54 1bp3 h ILE 83 N -0.02 0.01 -0.12 1.22 1.08 0.13 -1.74 117.51 118.07 1bp3 h ILE 83 Ca 0.39 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.91 1bp3 h ILE 83 Cb 0.64 0.01 -0.06 0.00 -3.07 0.00 0.00 36.82 34.33 1bp3 h ILE 83 CO -0.93 0.00 -0.31 1.56 -0.69 0.00 0.00 178.15 177.77 1bp3 h GLN 84 N -0.83 -0.38 -1.05 2.37 4.20 -0.41 -1.80 115.11 117.22 1bp3 h GLN 84 Ca -0.02 0.03 0.29 0.00 0.06 0.00 0.00 58.65 59.01 1bp3 h GLN 84 Cb 0.79 0.09 -0.06 0.00 0.30 0.00 0.00 27.48 28.60 1bp3 h GLN 84 CO -0.23 -0.25 0.73 1.03 -0.67 0.00 0.00 178.83 179.44 1bp3 h SER 85 N -0.39 0.14 -0.49 1.46 0.87 -0.64 0.41 113.55 114.90 1bp3 h SER 85 Ca 0.09 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 1bp3 h SER 85 Cb 0.54 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.50 1bp3 h SER 85 CO -0.34 0.03 0.00 0.79 -0.53 0.00 0.00 176.83 176.78 1bp3 n TRP 86 N -4.34 0.65 0.07 2.24 7.02 -0.68 -4.39 117.44 118.01 1bp3 n TRP 86 Ca 0.23 -0.33 -0.03 0.00 -1.02 0.00 0.00 57.50 56.36 1bp3 n TRP 86 Cb 1.04 0.00 0.22 0.00 -2.42 0.00 0.00 31.31 30.15 1bp3 n TRP 86 CO 0.00 0.00 0.00 -0.07 -2.02 0.00 0.00 177.69 175.60 1bp3 h LEU 87 N 3.50 0.33 0.00 -0.99 3.38 0.18 -3.31 115.31 118.40 1bp3 h LEU 87 Ca 0.00 -0.13 -0.18 0.00 0.09 0.00 0.00 57.88 57.66 1bp3 h LEU 87 Cb 0.79 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 1bp3 h LEU 87 CO 0.00 0.67 -1.29 -0.62 0.09 0.00 0.00 178.44 177.28 1bp3 n GLU 88 N -4.06 0.53 -0.26 1.13 -0.58 -1.26 -4.61 120.64 111.53 1bp3 n GLU 88 Ca -0.01 0.43 0.02 0.00 -0.42 0.00 0.00 57.16 57.17 1bp3 n GLU 88 Cb 0.45 -1.62 0.10 0.00 -0.57 0.00 0.00 31.44 29.80 1bp3 n GLU 88 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 1bp3 h PRO 89 N -1.00 0.01 0.00 3.49 0.11 -1.81 -1.05 132.00 131.75 1bp3 h PRO 89 Ca -0.27 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1bp3 h PRO 89 Cb 1.10 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1bp3 h PRO 89 CO -0.16 0.01 0.01 1.55 -0.21 0.00 0.00 178.00 179.20 1bp3 n VAL 90 N -5.47 0.30 0.06 3.15 3.14 -1.25 -1.45 118.33 116.82 1bp3 n VAL 90 Ca 0.11 0.09 -0.14 0.00 -2.96 0.00 0.00 64.34 61.43 1bp3 n VAL 90 Cb 0.40 -1.09 -0.14 0.00 -1.06 0.00 0.00 33.84 31.95 1bp3 n VAL 90 CO 0.00 0.00 0.00 1.56 -6.46 0.00 0.00 176.83 171.93 1bp3 h GLN 91 N 0.00 0.19 0.00 1.45 1.08 -1.44 -3.25 115.11 113.13 1bp3 h GLN 91 Ca 0.00 -0.32 -0.08 0.00 -1.45 0.00 0.00 58.65 56.80 1bp3 h GLN 91 Cb 0.02 0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.56 1bp3 h GLN 91 CO 0.00 1.06 -0.82 0.74 -0.95 0.00 0.00 178.83 178.86 1bp3 h PHE 92 N 0.05 0.00 -0.00 2.96 0.04 -1.40 -3.33 116.94 115.26 1bp3 h PHE 92 Ca -0.18 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.59 1bp3 h PHE 92 Cb 1.96 0.00 0.00 0.00 2.20 0.00 0.00 35.95 40.11 1bp3 h PHE 92 CO 0.05 0.31 -0.02 1.28 -0.60 0.00 0.00 178.31 179.33 1bp3 n LEU 93 N -2.97 0.08 -0.27 1.54 4.32 -1.22 -3.90 117.00 114.59 1bp3 n LEU 93 Ca -0.02 0.17 0.08 0.00 -0.02 0.00 0.00 56.01 56.23 1bp3 n LEU 93 Cb 0.69 -0.20 0.32 0.00 -1.62 0.00 0.00 43.42 42.60 1bp3 n LEU 93 CO 0.40 0.02 1.23 0.03 -1.22 0.00 0.00 177.39 177.84 1bp3 h ARG 94 N 0.10 0.81 0.22 3.23 3.08 -1.68 0.11 114.38 120.25 1bp3 h ARG 94 Ca 0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1bp3 h ARG 94 Cb 0.23 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.07 1bp3 h ARG 94 CO 0.00 0.54 -0.39 0.66 -1.07 0.00 0.00 179.97 179.71 1bp3 h SER 95 N 0.83 -1.13 -0.02 7.04 4.64 -1.87 -0.33 113.55 122.72 1bp3 h SER 95 Ca 0.41 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.84 1bp3 h SER 95 Cb 0.45 0.40 -0.00 0.00 -0.31 0.00 0.00 62.40 62.93 1bp3 h SER 95 CO -0.17 -0.45 -0.02 0.58 -0.87 0.00 0.00 176.83 175.89 1bp3 h VAL 96 N -0.65 0.00 0.00 0.95 2.07 -1.14 -2.79 116.25 114.68 1bp3 h VAL 96 Ca -0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1bp3 h VAL 96 Cb 0.61 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 1bp3 h VAL 96 CO -0.14 0.00 0.05 -0.26 0.02 0.00 0.00 177.57 177.23 1bp3 h PHE 97 N -0.02 0.00 0.00 1.57 0.04 -0.95 -3.28 116.94 114.30 1bp3 h PHE 97 Ca 0.00 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 1bp3 h PHE 97 Cb 0.02 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.17 1bp3 h PHE 97 CO -0.62 0.00 -0.00 0.00 -0.60 0.00 0.00 178.31 177.09 1bp3 h ALA 98 N 1.90 -0.00 -0.31 2.45 0.00 -0.76 -3.13 119.26 119.41 1bp3 h ALA 98 Ca 0.00 -0.44 -0.05 0.00 0.00 0.00 0.00 54.91 54.42 1bp3 h ALA 98 Cb 0.09 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1bp3 h ALA 98 CO 0.00 -0.05 0.06 -1.71 0.00 0.00 0.00 179.25 177.55 1bp3 n ASN 99 N -4.66 3.26 -4.60 0.00 5.15 -1.23 -4.58 115.26 108.60 1bp3 n ASN 99 Ca -0.10 -2.50 -0.43 0.00 -0.60 0.00 0.00 54.58 50.96 1bp3 n ASN 99 Cb 0.43 -0.60 -0.02 0.00 -0.53 0.00 0.00 39.78 39.05 1bp3 n ASN 99 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 1bp3 s SER 100 N -0.31 6.29 0.59 1.20 0.01 -1.25 -4.88 113.70 115.35 1bp3 s SER 100 Ca 0.26 0.84 0.29 0.00 1.31 0.00 0.00 55.95 58.65 1bp3 s SER 100 Cb 0.20 -2.54 1.41 0.00 0.21 0.00 0.00 66.02 65.30 1bp3 s SER 100 CO 0.07 -1.47 1.81 -0.07 0.41 0.00 0.00 173.24 174.00 1bp3 h LEU 101 N 12.35 0.00 -8.64 2.44 4.07 -1.93 -3.37 115.31 120.22 1bp3 h LEU 101 Ca -0.28 0.00 -0.51 0.00 0.08 0.00 0.00 57.88 57.17 1bp3 h LEU 101 Cb 1.11 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.83 1bp3 h LEU 101 CO 1.08 0.00 1.43 -0.69 -1.08 0.00 0.00 178.44 179.19 1bp3 s VAL 102 N -4.62 3.25 0.51 1.22 1.01 -1.26 -4.97 120.40 115.54 1bp3 s VAL 102 Ca -0.04 0.19 -0.21 0.00 0.00 0.00 0.00 61.98 61.91 1bp3 s VAL 102 Cb 0.16 -3.53 -0.06 0.00 0.00 0.00 0.00 36.38 32.94 1bp3 s VAL 102 CO 0.56 -0.47 1.19 -0.47 0.00 0.00 0.00 175.10 175.90 1bp3 s TYR 103 N 9.51 2.68 0.00 5.22 5.04 -1.26 -3.19 117.35 135.35 1bp3 s TYR 103 Ca 0.81 1.51 0.00 0.00 -2.44 0.00 0.00 57.07 56.96 1bp3 s TYR 103 Cb -0.17 -3.43 0.00 0.00 0.35 0.00 0.00 41.96 38.71 1bp3 s TYR 103 CO 0.26 -1.80 0.00 0.41 -1.34 0.00 0.00 175.55 173.08 1bp3 n GLY 104 N 0.42 2.92 0.00 8.97 0.00 -1.26 -4.94 105.19 111.30 1bp3 n GLY 104 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1bp3 n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bp3 n ALA 105 N -0.02 0.00 0.00 4.61 0.00 -1.19 0.25 120.51 124.17 1bp3 n ALA 105 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1bp3 n ALA 105 Cb 0.00 0.29 -0.01 0.00 0.00 0.00 0.00 19.45 19.73 1bp3 n ALA 105 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1bp3 h SER 106 N 0.00 -0.10 -0.83 0.00 0.02 -1.79 -3.15 113.55 107.71 1bp3 h SER 106 Ca 0.00 0.01 0.20 0.00 -0.84 0.00 0.00 61.79 61.16 1bp3 h SER 106 Cb 0.00 0.04 -0.15 0.00 0.14 0.00 0.00 62.40 62.43 1bp3 h SER 106 CO 0.00 -0.03 -0.01 0.44 -1.14 0.00 0.00 176.83 176.09 1bp3 h ASP 107 N -0.04 -0.42 -1.70 3.07 3.32 -1.92 -3.18 116.42 115.55 1bp3 h ASP 107 Ca 0.00 0.22 -0.64 0.00 0.02 0.00 0.00 57.03 56.63 1bp3 h ASP 107 Cb 0.04 0.40 -0.13 0.00 0.22 0.00 0.00 39.33 39.85 1bp3 h ASP 107 CO -0.02 -0.23 1.20 -0.94 -1.72 0.00 0.00 179.24 177.53 1bp3 s SER 108 N -5.16 6.56 -0.73 6.45 1.04 0.14 -4.94 113.70 117.06 1bp3 s SER 108 Ca -0.13 -1.73 -0.26 0.00 0.48 0.00 0.00 55.95 54.31 1bp3 s SER 108 Cb 0.24 -2.49 -0.02 0.00 0.10 0.00 0.00 66.02 63.85 1bp3 s SER 108 CO 0.76 -1.30 1.79 0.21 0.98 0.00 0.00 173.24 175.68 1bp3 s ASN 109 N 4.36 5.42 0.23 7.02 3.84 -1.20 -4.69 114.94 129.92 1bp3 s ASN 109 Ca 0.40 -0.14 0.14 0.00 0.21 0.00 0.00 52.86 53.47 1bp3 s ASN 109 Cb -0.02 -2.54 0.83 0.00 -0.55 0.00 0.00 41.25 38.96 1bp3 s ASN 109 CO -0.10 -2.35 0.95 0.52 -2.79 0.00 0.00 177.10 173.33 1bp3 n VAL 110 N 7.26 -0.24 0.23 -5.21 0.31 -1.26 0.22 118.33 119.65 1bp3 n VAL 110 Ca 0.24 1.20 0.06 0.00 -0.01 0.00 0.00 64.34 65.84 1bp3 n VAL 110 Cb 0.50 -1.95 0.56 0.00 -0.91 0.00 0.00 33.84 32.04 1bp3 n VAL 110 CO 0.00 0.00 0.00 0.22 -1.32 0.00 0.00 176.83 175.73 1bp3 h TYR 111 N 0.00 0.02 0.87 3.52 3.20 -1.88 -2.73 116.97 119.96 1bp3 h TYR 111 Ca 0.52 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.34 1bp3 h TYR 111 Cb 1.42 -0.01 0.01 0.00 1.54 0.00 0.00 36.73 39.69 1bp3 h TYR 111 CO -0.01 0.11 -0.42 -0.44 -1.64 0.00 0.00 178.16 175.77 1bp3 h ASP 112 N 0.02 -0.98 -0.85 -2.11 5.19 -0.61 -1.18 116.42 115.90 1bp3 h ASP 112 Ca 0.00 0.03 0.16 0.00 -0.62 0.00 0.00 57.03 56.61 1bp3 h ASP 112 Cb 0.17 0.25 -0.10 0.00 0.18 0.00 0.00 39.33 39.84 1bp3 h ASP 112 CO 0.01 -0.65 0.42 -0.07 -3.12 0.00 0.00 179.24 175.83 1bp3 h LEU 113 N -1.27 0.47 -0.42 1.55 4.07 -1.58 0.82 115.31 118.95 1bp3 h LEU 113 Ca -0.12 0.10 0.02 0.00 0.08 0.00 0.00 57.88 57.97 1bp3 h LEU 113 Cb 0.89 0.04 -0.03 0.00 1.08 0.00 0.00 40.66 42.64 1bp3 h LEU 113 CO 0.20 0.17 0.24 -0.07 -1.08 0.00 0.00 178.44 177.90 1bp3 h LEU 114 N 0.57 0.38 0.18 1.67 3.38 -1.48 0.09 115.31 120.10 1bp3 h LEU 114 Ca 0.48 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.44 1bp3 h LEU 114 Cb 0.72 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1bp3 h LEU 114 CO -0.39 0.28 -0.09 0.11 0.09 0.00 0.00 178.44 178.44 1bp3 h LYS 115 N 0.49 -0.23 0.40 1.13 1.79 0.71 -0.72 116.57 120.14 1bp3 h LYS 115 Ca 0.17 0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.64 1bp3 h LYS 115 Cb 0.02 0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.71 1bp3 h LYS 115 CO -0.09 -0.09 -0.37 0.22 -1.08 0.00 0.00 179.45 178.04 1bp3 h ASP 116 N -0.31 -1.02 -0.96 0.86 1.82 0.72 -2.66 116.42 114.87 1bp3 h ASP 116 Ca -0.02 0.08 0.25 0.00 -0.39 0.00 0.00 57.03 56.94 1bp3 h ASP 116 Cb 0.24 0.33 -0.13 0.00 0.68 0.00 0.00 39.33 40.46 1bp3 h ASP 116 CO 0.04 -0.50 0.51 0.25 -1.61 0.00 0.00 179.24 177.93 1bp3 h LEU 117 N -0.77 0.52 -0.29 2.28 5.85 -1.00 0.19 115.31 122.10 1bp3 h LEU 117 Ca -0.05 0.15 0.07 0.00 0.84 0.00 0.00 57.88 58.88 1bp3 h LEU 117 Cb 0.66 0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.71 1bp3 h LEU 117 CO -0.03 0.03 -0.16 -0.08 -0.34 0.00 0.00 178.44 177.86 1bp3 h GLU 118 N 0.48 -0.13 0.40 1.25 4.81 -0.78 -2.52 114.58 118.09 1bp3 h GLU 118 Ca 0.62 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.84 1bp3 h GLU 118 Cb 1.22 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.63 1bp3 h GLU 118 CO -0.51 -0.08 -0.19 0.93 -0.73 0.00 0.00 179.01 178.42 1bp3 h GLU 119 N -0.13 -0.52 -0.83 1.92 5.08 -0.39 -2.80 114.58 116.90 1bp3 h GLU 119 Ca 0.15 0.04 0.14 0.00 -1.00 0.00 0.00 59.36 58.69 1bp3 h GLU 119 Cb 0.36 0.12 -0.14 0.00 0.50 0.00 0.00 28.75 29.59 1bp3 h GLU 119 CO -0.37 -0.27 -0.28 0.54 -1.00 0.00 0.00 179.01 177.63 1bp3 n ARG 120 N -5.26 -0.15 -0.12 2.33 5.12 -1.04 -0.09 116.66 117.44 1bp3 n ARG 120 Ca -0.11 1.29 -0.10 0.00 -1.93 0.00 0.00 57.85 57.00 1bp3 n ARG 120 Cb 0.26 -1.92 -0.02 0.00 -1.16 0.00 0.00 32.46 29.63 1bp3 n ARG 120 CO 0.00 0.00 0.00 0.82 -1.93 0.00 0.00 177.63 176.52 1bp3 h ILE 121 N 0.00 1.21 -0.43 0.55 1.08 -1.44 0.18 117.51 118.67 1bp3 h ILE 121 Ca 0.33 -0.71 0.04 0.00 -0.39 0.00 0.00 64.86 64.13 1bp3 h ILE 121 Cb 0.54 1.00 -0.04 0.00 -3.07 0.00 0.00 36.82 35.25 1bp3 h ILE 121 CO -0.84 0.24 0.20 1.56 -0.69 0.00 0.00 178.15 178.63 1bp3 h GLN 122 N 0.43 0.39 0.24 2.37 4.20 -0.22 0.78 115.11 123.30 1bp3 h GLN 122 Ca 0.11 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.80 1bp3 h GLN 122 Cb 0.27 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.93 1bp3 h GLN 122 CO -0.00 0.26 -0.41 1.15 -0.67 0.00 0.00 178.83 179.15 1bp3 h THR 123 N 0.40 0.00 -0.79 -0.54 2.02 -1.41 1.21 112.91 113.80 1bp3 h THR 123 Ca 0.19 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.56 1bp3 h THR 123 Cb 0.12 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 66.40 1bp3 h THR 123 CO -0.15 0.00 0.07 -0.07 0.37 0.00 0.00 175.52 175.74 1bp3 h LEU 124 N -0.70 -0.25 -0.05 2.58 4.07 -0.53 0.12 115.31 120.55 1bp3 h LEU 124 Ca -0.03 0.20 0.01 0.00 0.08 0.00 0.00 57.88 58.14 1bp3 h LEU 124 Cb 0.65 0.32 -0.01 0.00 1.08 0.00 0.00 40.66 42.70 1bp3 h LEU 124 CO -0.14 -0.17 -0.03 -0.03 -1.08 0.00 0.00 178.44 176.99 1bp3 h MET 125 N 0.14 -0.02 0.23 1.13 4.05 0.10 -3.09 114.93 117.47 1bp3 h MET 125 Ca 0.45 0.00 0.01 0.00 -0.28 0.00 0.00 59.70 59.88 1bp3 h MET 125 Cb 0.82 0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.60 1bp3 h MET 125 CO -0.66 -0.02 -0.31 0.78 0.23 0.00 0.00 176.91 176.93 1bp3 h GLY 126 N -0.02 -0.66 1.34 1.39 0.00 0.41 -2.04 103.07 103.49 1bp3 h GLY 126 Ca 0.03 0.36 0.00 0.00 0.00 0.00 0.00 47.33 47.72 1bp3 h GLY 126 CO -0.06 -0.26 0.27 -0.09 0.00 0.00 0.00 176.54 176.40 1bp3 h ARG 127 N -0.60 0.00 -1.38 4.80 9.65 -1.32 0.24 114.38 125.77 1bp3 h ARG 127 Ca 0.00 0.00 -0.69 0.00 -1.10 0.00 0.00 59.98 58.20 1bp3 h ARG 127 Cb 0.58 0.00 -0.31 0.00 -1.39 0.00 0.00 29.97 28.84 1bp3 h ARG 127 CO -0.11 0.00 0.56 1.28 2.80 0.00 0.00 179.97 184.50 1bp3 n LEU 128 N -2.36 6.97 0.00 3.80 4.77 -0.77 -4.84 117.00 124.58 1bp3 n LEU 128 Ca -0.01 -4.64 0.00 0.00 -0.03 0.00 0.00 56.01 51.32 1bp3 n LEU 128 Cb 0.30 -0.87 0.00 0.00 -2.33 0.00 0.00 43.42 40.52 1bp3 n LEU 128 CO 0.09 1.74 0.00 -0.62 -1.33 0.00 0.00 177.39 177.27 1bp3 n GLU 129 N -0.71 0.00 -0.34 3.23 -0.58 0.83 -4.87 120.64 118.20 1bp3 n GLU 129 Ca 0.55 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.29 1bp3 n GLU 129 Cb 0.55 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.42 1bp3 n GLU 129 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1bp3 n ASP 130 N 0.00 -0.45 -0.09 1.62 -0.08 -1.26 -4.58 116.55 111.71 1bp3 n ASP 130 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1bp3 n ASP 130 Cb 0.00 -0.07 0.00 0.00 2.34 0.00 0.00 41.12 43.39 1bp3 n ASP 130 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1bp3 n GLY 131 N -2.15 1.02 2.30 0.27 0.00 -1.26 -5.14 105.19 100.23 1bp3 n GLY 131 Ca 0.00 -0.13 -0.13 0.00 0.00 0.00 0.00 46.02 45.75 1bp3 n GLY 131 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1bp3 n SER 132 N 0.30 0.88 -4.73 1.61 7.64 -1.26 -5.06 113.62 113.00 1bp3 n SER 132 Ca 0.00 -1.72 -0.32 0.00 1.01 0.00 0.00 58.87 57.84 1bp3 n SER 132 Cb 0.10 -0.36 0.10 0.00 -1.01 0.00 0.00 64.21 63.04 1bp3 n SER 132 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 1bp3 s PRO 133 N -3.91 2.00 -0.62 1.43 0.02 -1.26 -4.93 135.00 127.72 1bp3 s PRO 133 Ca 0.39 1.44 -0.01 0.00 0.02 0.00 0.00 61.00 62.84 1bp3 s PRO 133 Cb -0.02 -1.85 0.47 0.00 0.02 0.00 0.00 34.50 33.12 1bp3 s PRO 133 CO 0.25 -1.88 1.97 2.89 -0.33 0.00 0.00 177.00 179.91 1bp3 n ARG 134 N -3.34 2.69 -2.36 5.54 -4.01 -1.26 -4.97 116.66 108.94 1bp3 n ARG 134 Ca 0.11 -3.31 -0.37 0.00 -1.04 0.00 0.00 57.85 53.24 1bp3 n ARG 134 Cb 0.52 -2.27 -0.02 0.00 -3.04 0.00 0.00 32.46 27.65 1bp3 n ARG 134 CO 0.00 0.00 0.00 -0.08 -3.04 0.00 0.00 177.63 174.51 1bp3 s THR 135 N -4.65 3.33 0.00 8.89 -1.32 -1.26 -4.86 115.64 115.77 1bp3 s THR 135 Ca 0.63 0.98 0.00 0.00 -1.21 0.00 0.00 61.69 62.09 1bp3 s THR 135 Cb 0.50 -3.49 0.00 0.00 -1.51 0.00 0.00 72.50 68.00 1bp3 s THR 135 CO 0.00 -0.03 0.00 0.61 -2.21 0.00 0.00 174.62 172.99 1bp3 n GLY 136 N 0.35 -1.30 0.00 6.08 0.00 -1.26 -4.96 105.19 104.10 1bp3 n GLY 136 Ca 0.07 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.53 1bp3 n GLY 136 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1bp3 n GLN 137 N 0.00 0.00 -2.03 1.61 7.27 -1.26 -5.04 117.38 117.92 1bp3 n GLN 137 Ca 0.00 0.00 -0.42 0.00 0.07 0.00 0.00 57.00 56.65 1bp3 n GLN 137 Cb 0.00 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 32.62 1bp3 n GLN 137 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1bp3 s ILE 138 N 0.53 3.27 -0.06 1.69 1.09 -1.26 -4.97 121.20 121.49 1bp3 s ILE 138 Ca 0.00 0.70 -0.04 0.00 -1.10 0.00 0.00 60.65 60.21 1bp3 s ILE 138 Cb 0.00 -3.45 -0.01 0.00 -1.06 0.00 0.00 42.46 37.94 1bp3 s ILE 138 CO 0.00 -0.00 -0.08 -0.26 -0.10 0.00 0.00 174.94 174.50 1bp3 h PHE 139 N 8.13 0.00 -3.87 3.97 0.04 -1.97 -3.47 116.94 119.77 1bp3 h PHE 139 Ca -0.41 0.00 -0.49 0.00 2.80 0.00 0.00 57.97 59.88 1bp3 h PHE 139 Cb 1.19 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.35 1bp3 h PHE 139 CO 0.77 0.00 0.21 0.15 -0.60 0.00 0.00 178.31 178.83 1bp3 s LYS 140 N -1.54 3.86 -0.84 1.51 -0.14 -1.26 -4.93 119.74 116.39 1bp3 s LYS 140 Ca -0.06 0.66 -0.22 0.00 -1.36 0.00 0.00 55.97 54.99 1bp3 s LYS 140 Cb 0.01 -2.30 -0.19 0.00 -1.68 0.00 0.00 37.83 33.67 1bp3 s LYS 140 CO 0.09 -0.10 2.16 1.04 -0.76 0.00 0.00 175.35 177.78 1bp3 n GLN 141 N -1.32 0.29 -1.37 1.68 6.02 -1.26 -4.83 117.38 116.59 1bp3 n GLN 141 Ca 0.04 -0.92 -0.39 0.00 -0.01 0.00 0.00 57.00 55.71 1bp3 n GLN 141 Cb 0.54 -3.16 -0.06 0.00 1.02 0.00 0.00 30.24 28.57 1bp3 n GLN 141 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1bp3 n THR 142 N 8.06 1.74 -3.05 5.09 -1.04 -1.26 -4.87 114.28 118.96 1bp3 n THR 142 Ca 0.44 -1.61 -0.43 0.00 -2.04 0.00 0.00 64.05 60.41 1bp3 n THR 142 Cb 0.41 -2.26 -0.06 0.00 -1.82 0.00 0.00 70.33 66.60 1bp3 n THR 142 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 1bp3 s TYR 143 N 6.84 2.99 0.42 -1.42 6.14 -1.26 -4.77 117.35 126.28 1bp3 s TYR 143 Ca 0.61 -0.16 0.02 0.00 0.64 0.00 0.00 57.07 58.19 1bp3 s TYR 143 Cb 0.10 -3.60 0.02 0.00 0.42 0.00 0.00 41.96 38.91 1bp3 s TYR 143 CO 0.14 -1.04 0.21 -1.13 0.64 0.00 0.00 175.55 174.37 1bp3 n SER 144 N 6.55 2.64 -3.48 4.32 3.41 -1.26 -5.12 113.62 120.68 1bp3 n SER 144 Ca -0.02 -2.58 -0.16 0.00 -0.26 0.00 0.00 58.87 55.86 1bp3 n SER 144 Cb 0.47 0.08 -0.04 0.00 -0.26 0.00 0.00 64.21 64.46 1bp3 n SER 144 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1bp3 s LYS 145 N -3.65 1.14 0.00 4.33 2.20 -1.26 -4.92 119.74 117.58 1bp3 s LYS 145 Ca 0.16 -0.03 0.00 0.00 -0.36 0.00 0.00 55.97 55.74 1bp3 s LYS 145 Cb -0.01 0.53 0.00 0.00 -1.51 0.00 0.00 37.83 36.84 1bp3 s LYS 145 CO 0.10 -0.42 0.00 1.97 -0.36 0.00 0.00 175.35 176.64 1bp3 n PHE 146 N 0.41 0.00 -4.07 4.03 -1.74 -1.26 -4.90 117.46 109.92 1bp3 n PHE 146 Ca -0.18 0.00 -0.12 0.00 -0.56 0.00 0.00 57.45 56.59 1bp3 n PHE 146 Cb 0.60 -0.20 -0.04 0.00 1.52 0.00 0.00 39.48 41.37 1bp3 n PHE 146 CO 0.00 0.00 0.00 -3.47 -0.56 0.00 0.00 176.76 172.73 1bp3 n ASP 147 N -1.71 -0.69 -2.86 5.98 -0.08 -1.26 -5.10 116.55 110.83 1bp3 n ASP 147 Ca 0.00 -2.42 -0.03 0.00 -1.51 0.00 0.00 54.79 50.83 1bp3 n ASP 147 Cb 0.00 1.43 -0.02 0.00 2.34 0.00 0.00 41.12 44.87 1bp3 n ASP 147 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 1bp3 n THR 148 N -0.42 -7.19 -3.38 5.18 -1.04 -1.26 -5.07 114.28 101.10 1bp3 n THR 148 Ca 0.03 1.41 -0.26 0.00 -2.04 0.00 0.00 64.05 63.19 1bp3 n THR 148 Cb 0.41 -4.68 -0.09 0.00 -1.82 0.00 0.00 70.33 64.15 1bp3 n THR 148 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1bp3 n ASP 153 N 1.92 0.39 -4.45 8.00 5.75 -1.26 -5.19 116.55 121.72 1bp3 n ASP 153 Ca -0.18 -2.64 -0.44 0.00 -0.01 0.00 0.00 54.79 51.52 1bp3 n ASP 153 Cb 0.33 -0.61 -0.07 0.00 -1.03 0.00 0.00 41.12 39.73 1bp3 n ASP 153 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1bp3 s ASP 154 N -0.69 6.20 -0.02 -1.12 -1.08 -1.26 -4.93 116.67 113.76 1bp3 s ASP 154 Ca 0.33 -0.92 -0.10 0.00 -0.52 0.00 0.00 52.55 51.34 1bp3 s ASP 154 Cb 0.08 -2.24 -0.06 0.00 -1.46 0.00 0.00 42.92 39.24 1bp3 s ASP 154 CO -0.15 -0.72 0.56 0.00 0.52 0.00 0.00 175.17 175.37 1bp3 h ALA 155 N 8.84 -0.50 -0.73 3.66 0.00 -2.07 -3.34 119.26 125.12 1bp3 h ALA 155 Ca -0.27 -0.08 0.11 0.00 0.00 0.00 0.00 54.91 54.67 1bp3 h ALA 155 Cb 1.10 0.14 -0.08 0.00 0.00 0.00 0.00 17.79 18.96 1bp3 h ALA 155 CO 0.88 -0.47 0.33 1.25 0.00 0.00 0.00 179.25 181.24 1bp3 h LEU 156 N -0.78 0.39 -1.32 0.00 5.85 -2.02 -2.75 115.31 114.68 1bp3 h LEU 156 Ca -0.04 0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.71 1bp3 h LEU 156 Cb 0.29 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 1bp3 h LEU 156 CO 0.06 0.20 -0.10 0.25 -0.34 0.00 0.00 178.44 178.51 1bp3 h LEU 157 N 0.54 0.32 -0.20 2.25 5.85 -1.99 -3.24 115.31 118.83 1bp3 h LEU 157 Ca 0.38 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 59.03 1bp3 h LEU 157 Cb 0.48 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 1bp3 h LEU 157 CO -0.32 0.45 0.12 0.50 -0.34 0.00 0.00 178.44 178.85 1bp3 h LYS 158 N 0.32 0.28 0.42 1.25 1.63 -1.61 -0.99 116.57 117.87 1bp3 h LYS 158 Ca 0.07 -0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 59.82 1bp3 h LYS 158 Cb 0.38 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 31.95 1bp3 h LYS 158 CO 0.02 0.24 -0.20 -0.91 -3.45 0.00 0.00 179.45 175.14 1bp3 h ASN 159 N 0.24 -0.48 -0.73 4.20 -0.26 -1.61 -1.96 115.58 114.98 1bp3 h ASN 159 Ca 0.07 -0.05 0.16 0.00 -0.56 0.00 0.00 56.30 55.92 1bp3 h ASN 159 Cb 0.03 0.12 -0.11 0.00 -1.06 0.00 0.00 38.32 37.31 1bp3 h ASN 159 CO -0.01 -0.25 0.20 0.22 -1.06 0.00 0.00 177.43 176.52 1bp3 h TYR 160 N -0.69 0.32 -0.60 1.19 3.20 -1.58 0.39 116.97 119.21 1bp3 h TYR 160 Ca -0.06 0.04 0.05 0.00 3.14 0.00 0.00 58.73 61.90 1bp3 h TYR 160 Cb 0.50 -0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.69 1bp3 h TYR 160 CO -0.02 -0.06 0.33 0.78 -1.64 0.00 0.00 178.16 177.55 1bp3 h GLY 161 N 0.30 0.86 0.85 1.82 0.00 -0.96 -1.96 103.07 103.99 1bp3 h GLY 161 Ca 0.41 -0.23 -0.00 0.00 0.00 0.00 0.00 47.33 47.51 1bp3 h GLY 161 CO -0.49 0.15 -0.05 1.41 0.00 0.00 0.00 176.54 177.56 1bp3 h LEU 162 N 0.62 -0.12 -0.51 3.11 3.38 0.46 -3.00 115.31 119.25 1bp3 h LEU 162 Ca 0.26 -0.13 0.10 0.00 0.09 0.00 0.00 57.88 58.21 1bp3 h LEU 162 Cb 0.15 0.03 -0.10 0.00 0.09 0.00 0.00 40.66 40.83 1bp3 h LEU 162 CO -0.16 0.06 -0.14 -0.07 0.09 0.00 0.00 178.44 178.22 1bp3 h LEU 163 N -0.29 -0.50 -0.65 1.67 3.38 -0.47 0.23 115.31 118.69 1bp3 h LEU 163 Ca -0.01 0.16 0.13 0.00 0.09 0.00 0.00 57.88 58.25 1bp3 h LEU 163 Cb 0.24 0.33 -0.10 0.00 0.09 0.00 0.00 40.66 41.21 1bp3 h LEU 163 CO 0.02 -0.18 0.10 0.22 0.09 0.00 0.00 178.44 178.70 1bp3 h TYR 164 N -0.01 0.14 -0.54 1.13 3.20 -1.31 -1.89 116.97 117.70 1bp3 h TYR 164 Ca 0.25 0.04 -0.09 0.00 3.14 0.00 0.00 58.73 62.06 1bp3 h TYR 164 Cb 0.38 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.67 1bp3 h TYR 164 CO -0.44 -0.09 -0.04 0.00 -1.64 0.00 0.00 178.16 175.95 1bp3 h PHE 166 N 0.86 0.45 -0.38 0.00 3.57 -0.19 -1.14 116.94 120.11 1bp3 h PHE 166 Ca 0.15 -0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.71 1bp3 h PHE 166 Cb 0.56 -0.14 -0.06 0.00 2.79 0.00 0.00 35.95 39.09 1bp3 h PHE 166 CO 0.03 0.39 -0.02 -0.09 -2.23 0.00 0.00 178.31 176.39 1bp3 h ARG 167 N 0.38 0.07 -0.38 1.11 2.43 -1.51 1.89 114.38 118.37 1bp3 h ARG 167 Ca 0.11 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.25 1bp3 h ARG 167 Cb 0.10 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 1bp3 h ARG 167 CO -0.02 0.05 0.15 -0.22 -1.51 0.00 0.00 179.97 178.42 1bp3 h LYS 168 N 0.08 0.58 0.00 0.20 3.64 -1.33 -2.31 116.57 117.42 1bp3 h LYS 168 Ca 0.19 -0.11 -0.16 0.00 -1.27 0.00 0.00 60.65 59.30 1bp3 h LYS 168 Cb 0.27 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 1bp3 h LYS 168 CO -0.34 0.56 -0.74 -0.44 -2.27 0.00 0.00 179.45 176.22 1bp3 h ASP 169 N 0.47 0.00 -0.41 4.20 3.32 -0.49 -2.45 116.42 121.06 1bp3 h ASP 169 Ca 0.13 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.11 1bp3 h ASP 169 Cb 0.20 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 1bp3 h ASP 169 CO -0.01 0.74 -0.02 0.24 -1.72 0.00 0.00 179.24 178.47 1bp3 h MET 170 N 0.00 0.75 0.73 3.56 2.86 0.31 -3.15 114.93 119.98 1bp3 h MET 170 Ca -0.01 -0.25 -0.03 0.00 -2.06 0.00 0.00 59.70 57.35 1bp3 h MET 170 Cb 1.44 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 33.04 1bp3 h MET 170 CO 0.10 0.84 -0.47 0.22 1.06 0.00 0.00 176.91 178.65 1bp3 h ASP 171 N 0.57 -1.20 -0.86 1.22 1.82 -1.36 -2.08 116.42 114.54 1bp3 h ASP 171 Ca 0.11 0.07 0.22 0.00 -0.39 0.00 0.00 57.03 57.04 1bp3 h ASP 171 Cb 0.51 0.35 -0.15 0.00 0.68 0.00 0.00 39.33 40.73 1bp3 h ASP 171 CO 0.03 -0.71 0.10 0.11 -1.61 0.00 0.00 179.24 177.15 1bp3 h LYS 172 N -1.13 0.12 0.71 0.28 1.57 -1.50 -0.72 116.57 115.90 1bp3 h LYS 172 Ca -0.10 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.64 1bp3 h LYS 172 Cb 0.91 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.19 1bp3 h LYS 172 CO 0.08 0.08 -0.41 0.28 -0.57 0.00 0.00 179.45 178.91 1bp3 h VAL 173 N 0.12 0.16 0.33 0.50 2.07 -1.47 -1.77 116.25 116.20 1bp3 h VAL 173 Ca 0.51 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 68.03 1bp3 h VAL 173 Cb 0.99 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 1bp3 h VAL 173 CO -0.72 0.00 -0.37 -0.08 0.02 0.00 0.00 177.57 176.42 1bp3 h GLU 174 N -1.05 -0.71 -0.63 1.57 4.81 -0.44 -2.67 114.58 115.45 1bp3 h GLU 174 Ca -0.09 0.05 0.13 0.00 -0.13 0.00 0.00 59.36 59.31 1bp3 h GLU 174 Cb 0.84 0.16 -0.12 0.00 0.63 0.00 0.00 28.75 30.26 1bp3 h GLU 174 CO 0.11 -0.47 -0.16 1.15 -0.73 0.00 0.00 179.01 178.91 1bp3 h THR 175 N -0.74 0.36 0.30 0.32 2.02 -1.39 -1.86 112.91 111.92 1bp3 h THR 175 Ca -0.02 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.15 1bp3 h THR 175 Cb 0.67 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.45 1bp3 h THR 175 CO -0.08 0.00 -0.14 -0.26 0.37 0.00 0.00 175.52 175.40 1bp3 h PHE 176 N -0.00 -0.37 -0.81 3.16 0.04 -1.10 -2.94 116.94 114.92 1bp3 h PHE 176 Ca 0.30 -0.01 0.13 0.00 2.80 0.00 0.00 57.97 61.20 1bp3 h PHE 176 Cb 0.46 0.12 -0.09 0.00 2.20 0.00 0.00 35.95 38.65 1bp3 h PHE 176 CO -0.52 -0.15 0.41 -0.07 -0.60 0.00 0.00 178.31 177.38 1bp3 h LEU 177 N -0.51 0.49 -0.42 1.54 3.38 -1.12 0.61 115.31 119.28 1bp3 h LEU 177 Ca -0.04 0.09 0.06 0.00 0.09 0.00 0.00 57.88 58.08 1bp3 h LEU 177 Cb 0.38 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.09 1bp3 h LEU 177 CO 0.07 0.22 0.10 -0.09 0.09 0.00 0.00 178.44 178.83 1bp3 h ARG 178 N 0.61 0.24 -0.34 1.13 9.65 -1.27 0.31 114.38 124.70 1bp3 h ARG 178 Ca 0.44 -0.01 0.07 0.00 -1.10 0.00 0.00 59.98 59.37 1bp3 h ARG 178 Cb 0.59 -0.05 -0.07 0.00 -1.39 0.00 0.00 29.97 29.05 1bp3 h ARG 178 CO -0.35 0.16 -0.12 0.82 2.80 0.00 0.00 179.97 183.28 1bp3 h ILE 179 N 0.24 0.60 -0.23 1.20 2.04 -0.70 -1.89 117.51 118.76 1bp3 h ILE 179 Ca 0.20 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 66.00 1bp3 h ILE 179 Cb 0.23 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 1bp3 h ILE 179 CO -0.24 0.00 -0.14 0.58 0.00 0.00 0.00 178.15 178.35 1bp3 h VAL 180 N -0.05 1.22 -0.54 1.67 2.07 -1.17 -2.61 116.25 116.84 1bp3 h VAL 180 Ca 0.17 -0.96 -0.01 0.00 0.82 0.00 0.00 66.70 66.72 1bp3 h VAL 180 Cb 0.30 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 1bp3 h VAL 180 CO -0.37 0.31 0.30 -0.61 0.02 0.00 0.00 177.57 177.21 1bp3 h GLN 181 N 0.36 0.75 -0.22 1.57 4.15 0.39 -2.87 115.11 119.25 1bp3 h GLN 181 Ca 0.07 -0.08 -0.03 0.00 0.77 0.00 0.00 58.65 59.37 1bp3 h GLN 181 Cb 0.46 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 28.00 1bp3 h GLN 181 CO 0.03 0.57 0.01 0.00 -1.93 0.00 0.00 178.83 177.51 1bp3 h ARG 183 N 0.15 0.00 0.00 0.00 3.08 -1.56 -3.39 114.38 112.66 1bp3 h ARG 183 Ca 0.06 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.98 1bp3 h ARG 183 Cb 0.37 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 1bp3 h ARG 183 CO 0.01 0.25 -1.48 0.43 -1.07 0.00 0.00 179.97 178.12 1bp3 n SER 184 N -3.34 2.67 -4.17 7.04 7.64 -1.08 -4.83 113.62 117.54 1bp3 n SER 184 Ca 0.01 -0.01 -0.44 0.00 1.01 0.00 0.00 58.87 59.44 1bp3 n SER 184 Cb 0.48 -0.16 0.00 0.00 -1.01 0.00 0.00 64.21 63.52 1bp3 n SER 184 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1bp3 n VAL 185 N -2.91 4.94 -1.56 0.44 0.31 -0.81 -5.00 118.33 113.75 1bp3 n VAL 185 Ca -0.15 -5.63 -0.13 0.00 -0.01 0.00 0.00 64.34 58.42 1bp3 n VAL 185 Cb 0.65 -2.33 -0.08 0.00 -0.91 0.00 0.00 33.84 31.16 1bp3 n VAL 185 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1bp3 n GLU 186 N 2.09 0.50 0.00 5.55 4.71 -1.26 -4.30 120.64 127.94 1bp3 n GLU 186 Ca 0.25 -0.90 0.00 0.00 -0.01 0.00 0.00 57.16 56.51 1bp3 n GLU 186 Cb 0.36 -3.64 0.00 0.00 -1.01 0.00 0.00 31.44 27.15 1bp3 n GLU 186 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1bp3 n GLY 187 N 6.72 -1.49 3.17 0.62 0.00 -1.26 -5.06 105.19 107.90 1bp3 n GLY 187 Ca 0.47 0.59 -0.29 0.00 0.00 0.00 0.00 46.02 46.79 1bp3 n GLY 187 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1bp3 n SER 188 N 0.00 1.50 0.00 1.61 7.64 -1.26 -3.42 113.62 119.68 1bp3 n SER 188 Ca 0.00 -2.37 0.00 0.00 1.01 0.00 0.00 58.87 57.51 1bp3 n SER 188 Cb 0.00 -0.69 0.00 0.00 -1.01 0.00 0.00 64.21 62.51 1bp3 n SER 188 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03