#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cpw h THR 2 N 0.00 1.26 -1.75 0.00 2.02 -2.00 -3.49 112.91 108.95 3cpw h THR 2 Ca 0.00 -0.96 0.00 0.00 0.77 0.00 0.00 66.41 66.22 3cpw h THR 2 Cb 0.00 1.30 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 3cpw h THR 2 CO 0.00 0.31 0.00 0.61 0.37 0.00 0.00 175.52 176.81 3cpw n GLY 3 N -0.31 1.68 0.33 2.16 0.00 -1.26 -5.02 105.19 102.77 3cpw n GLY 3 Ca -0.03 -0.96 -0.04 0.00 0.00 0.00 0.00 46.02 45.00 3cpw n GLY 3 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3cpw h PRO 4 N 0.00 1.14 0.00 1.61 0.11 -2.07 -2.48 132.00 130.31 3cpw h PRO 4 Ca 0.00 -0.10 0.00 0.00 0.11 0.00 0.00 66.00 66.01 3cpw h PRO 4 Cb 0.00 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 30.87 3cpw h PRO 4 CO 0.00 0.80 0.00 -2.13 -0.21 0.00 0.00 178.00 176.46 3cpw n ARG 5 N -4.44 0.10 -1.77 1.05 0.63 -1.26 -4.87 116.66 106.10 3cpw n ARG 5 Ca 0.09 0.21 -0.40 0.00 -0.92 0.00 0.00 57.85 56.82 3cpw n ARG 5 Cb 0.05 -1.64 0.02 0.00 0.45 0.00 0.00 32.46 31.33 3cpw n ARG 5 CO 0.00 0.00 0.00 -0.47 -2.51 0.00 0.00 177.63 174.65 3cpw s TYR 6 N -3.09 2.43 -0.26 -0.14 5.04 -0.94 -5.00 117.35 115.40 3cpw s TYR 6 Ca 0.09 1.23 -0.04 0.00 -2.44 0.00 0.00 57.07 55.91 3cpw s TYR 6 Cb 0.13 -3.97 0.01 0.00 0.35 0.00 0.00 41.96 38.48 3cpw s TYR 6 CO 0.44 -3.05 -0.01 0.21 -1.34 0.00 0.00 175.55 171.80 3cpw s LYS 7 N -2.43 3.05 -0.19 4.97 2.47 -1.26 -4.78 119.74 121.57 3cpw s LYS 7 Ca 0.60 -0.85 -0.12 0.00 -1.56 0.00 0.00 55.97 54.04 3cpw s LYS 7 Cb -0.45 -3.12 -0.05 0.00 -1.46 0.00 0.00 37.83 32.75 3cpw s LYS 7 CO 0.58 -0.37 0.20 0.08 0.16 0.00 0.00 175.35 176.00 3cpw s VAL 8 N 1.42 5.36 0.96 4.02 1.01 -1.26 -4.99 120.40 126.92 3cpw s VAL 8 Ca 0.02 0.34 -0.11 0.00 0.00 0.00 0.00 61.98 62.23 3cpw s VAL 8 Cb -0.16 -3.54 0.16 0.00 0.00 0.00 0.00 36.38 32.83 3cpw s VAL 8 CO -0.02 0.41 1.03 -2.65 0.00 0.00 0.00 175.10 173.87 3cpw n PRO 9 N 3.64 -0.74 -1.95 2.72 -0.02 -1.26 -4.92 135.00 132.47 3cpw n PRO 9 Ca -0.14 -0.16 -0.40 0.00 -2.02 0.00 0.00 63.50 60.78 3cpw n PRO 9 Cb 0.52 -2.28 -0.00 0.00 -0.02 0.00 0.00 33.50 31.71 3cpw n PRO 9 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 3cpw s MET 10 N -4.48 3.99 0.20 -0.52 -1.94 -1.26 -4.72 119.30 110.58 3cpw s MET 10 Ca 0.66 2.32 -0.22 0.00 -1.71 0.00 0.00 55.69 56.74 3cpw s MET 10 Cb -0.23 -2.83 0.14 0.00 2.01 0.00 0.00 34.83 33.92 3cpw s MET 10 CO 0.60 -0.53 1.55 -0.09 -0.01 0.00 0.00 175.02 176.54 3cpw h ARG 11 N 2.77 -0.05 0.00 2.03 2.43 -2.01 1.18 114.38 120.75 3cpw h ARG 11 Ca -0.50 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 3cpw h ARG 11 Cb 1.25 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.81 3cpw h ARG 11 CO 0.63 -0.03 0.00 0.54 -1.51 0.00 0.00 179.97 179.60 3cpw n ARG 12 N -5.41 0.15 -0.03 0.20 1.74 -1.26 -1.66 116.66 110.38 3cpw n ARG 12 Ca 0.07 0.14 -0.21 0.00 -0.77 0.00 0.00 57.85 57.07 3cpw n ARG 12 Cb 0.36 -1.50 -0.13 0.00 -1.02 0.00 0.00 32.46 30.17 3cpw n ARG 12 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 3cpw n ARG 13 N -1.18 0.72 0.08 5.56 3.00 0.40 -2.24 116.66 123.01 3cpw n ARG 13 Ca 0.04 0.26 -0.13 0.00 -0.00 0.00 0.00 57.85 58.03 3cpw n ARG 13 Cb 0.04 -1.67 -0.07 0.00 0.00 0.00 0.00 32.46 30.76 3cpw n ARG 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3cpw h ARG 14 N -0.04 -0.13 0.00 -0.14 3.08 -0.83 -0.59 114.38 115.73 3cpw h ARG 14 Ca -0.45 0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.60 3cpw h ARG 14 Cb 1.95 0.03 0.00 0.00 0.08 0.00 0.00 29.97 32.03 3cpw h ARG 14 CO 0.02 -0.05 0.00 0.39 -1.07 0.00 0.00 179.97 179.26 3cpw n GLU 15 N -5.13 0.00 -3.88 0.04 1.02 -0.70 -4.82 120.64 107.17 3cpw n GLU 15 Ca -0.08 0.35 -0.25 0.00 -0.02 0.00 0.00 57.16 57.16 3cpw n GLU 15 Cb 0.09 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.01 3cpw n GLU 15 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3cpw n ALA 16 N -1.35 -1.92 -0.00 0.62 0.00 -0.23 -4.87 120.51 112.75 3cpw n ALA 16 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.25 3cpw n ALA 16 Cb 0.00 -1.94 -0.01 0.00 0.00 0.00 0.00 19.45 17.51 3cpw n ALA 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3cpw n ARG 17 N -4.38 1.41 -4.42 0.00 1.74 -1.00 -5.02 116.66 104.98 3cpw n ARG 17 Ca -0.26 -0.01 -0.27 0.00 -0.77 0.00 0.00 57.85 56.54 3cpw n ARG 17 Cb 0.66 -1.04 -0.17 0.00 -1.02 0.00 0.00 32.46 30.89 3cpw n ARG 17 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3cpw s THR 18 N -2.09 1.32 -0.66 0.55 2.01 -0.95 -4.73 115.64 111.08 3cpw s THR 18 Ca -0.01 -0.54 -0.18 0.00 0.31 0.00 0.00 61.69 61.27 3cpw s THR 18 Cb 0.01 -1.22 0.12 0.00 0.01 0.00 0.00 72.50 71.42 3cpw s THR 18 CO 0.07 0.40 0.77 -0.62 -0.69 0.00 0.00 174.62 174.56 3cpw s ASP 19 N 0.99 6.30 0.47 3.53 -1.08 -1.26 -4.61 116.67 121.01 3cpw s ASP 19 Ca -0.07 -1.64 0.15 0.00 -0.52 0.00 0.00 52.55 50.46 3cpw s ASP 19 Cb -0.15 -2.31 1.08 0.00 -1.46 0.00 0.00 42.92 40.09 3cpw s ASP 19 CO -0.01 -1.06 2.04 1.88 0.52 0.00 0.00 175.17 178.54 3cpw h TYR 20 N 9.00 0.00 -0.42 -5.34 -1.99 -1.98 -0.36 116.97 115.88 3cpw h TYR 20 Ca -0.19 0.00 -0.07 0.00 2.00 0.00 0.00 58.73 60.46 3cpw h TYR 20 Cb 1.07 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.79 3cpw h TYR 20 CO 0.90 0.13 -0.03 0.45 -0.00 0.00 0.00 178.16 179.61 3cpw h HIS 21 N 0.00 0.84 -0.18 4.88 3.86 -2.01 -1.79 115.15 120.76 3cpw h HIS 21 Ca -0.00 -0.16 -0.17 0.00 -1.16 0.00 0.00 60.37 58.88 3cpw h HIS 21 Cb 0.22 -0.22 -0.00 0.00 1.06 0.00 0.00 27.41 28.47 3cpw h HIS 21 CO 0.00 0.85 -0.58 0.37 0.86 0.00 0.00 177.93 179.43 3cpw h GLN 22 N 0.60 0.57 -0.16 2.45 4.15 -1.88 -3.12 115.11 117.71 3cpw h GLN 22 Ca 0.12 -0.37 0.04 0.00 0.77 0.00 0.00 58.65 59.21 3cpw h GLN 22 Cb 0.53 0.05 -0.04 0.00 0.21 0.00 0.00 27.48 28.22 3cpw h GLN 22 CO 0.03 0.99 -0.11 -0.09 -1.93 0.00 0.00 178.83 177.71 3cpw h ARG 23 N 0.43 -0.11 0.18 1.69 2.43 -0.84 -0.86 114.38 117.30 3cpw h ARG 23 Ca 0.00 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.19 3cpw h ARG 23 Cb 1.13 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.68 3cpw h ARG 23 CO 0.11 -0.07 -0.32 1.25 -1.51 0.00 0.00 179.97 179.43 3cpw h LEU 24 N -0.11 -0.90 -1.24 3.80 5.85 -1.34 0.12 115.31 121.49 3cpw h LEU 24 Ca 0.10 0.10 0.19 0.00 0.84 0.00 0.00 57.88 59.10 3cpw h LEU 24 Cb 0.26 0.33 -0.09 0.00 0.37 0.00 0.00 40.66 41.53 3cpw h LEU 24 CO -0.23 -0.42 0.61 0.03 -0.34 0.00 0.00 178.44 178.09 3cpw h ARG 25 N -0.58 0.61 0.35 1.25 3.08 -1.44 -1.10 114.38 116.55 3cpw h ARG 25 Ca 0.02 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 3cpw h ARG 25 Cb 0.58 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.50 3cpw h ARG 25 CO -0.15 0.40 -0.17 -0.07 -1.07 0.00 0.00 179.97 178.92 3cpw h LEU 26 N 0.63 -0.40 -2.60 3.04 -0.00 0.03 -3.00 115.31 113.00 3cpw h LEU 26 Ca 0.52 -0.11 0.01 0.00 -0.00 0.00 0.00 57.88 58.30 3cpw h LEU 26 Cb 0.97 0.10 -0.00 0.00 -0.00 0.00 0.00 40.66 41.74 3cpw h LEU 26 CO -0.27 -0.12 0.10 -0.07 -0.00 0.00 0.00 178.44 178.08 3cpw h LEU 27 N -0.69 0.00 -1.54 1.67 3.38 0.36 -2.61 115.31 115.88 3cpw h LEU 27 Ca -0.05 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.00 3cpw h LEU 27 Cb 0.48 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 3cpw h LEU 27 CO 0.08 0.00 0.42 0.11 0.09 0.00 0.00 178.44 179.13 3cpw h LYS 28 N 0.00 0.52 -0.84 1.13 1.79 -1.10 -2.04 116.57 116.03 3cpw h LYS 28 Ca 0.01 -0.03 0.11 0.00 -2.18 0.00 0.00 60.65 58.56 3cpw h LYS 28 Cb 0.21 -0.12 -0.06 0.00 -1.58 0.00 0.00 32.23 30.68 3cpw h LYS 28 CO -0.00 0.35 0.54 0.66 -1.08 0.00 0.00 179.45 179.92 3cpw h SER 29 N 0.54 0.69 0.00 0.86 4.64 -1.62 -3.45 113.55 115.21 3cpw h SER 29 Ca 0.28 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 3cpw h SER 29 Cb 0.39 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 3cpw h SER 29 CO -0.08 0.40 0.00 0.61 -0.87 0.00 0.00 176.83 176.88 3cpw n GLY 30 N -1.43 0.48 3.69 -0.77 0.00 -0.77 -5.03 105.19 101.36 3cpw n GLY 30 Ca 0.15 -0.43 -0.23 0.00 0.00 0.00 0.00 46.02 45.50 3cpw n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cpw s LYS 31 N -0.82 2.41 0.55 1.61 1.02 -1.26 -5.11 119.74 118.13 3cpw s LYS 31 Ca 0.00 -1.38 -0.19 0.00 0.02 0.00 0.00 55.97 54.41 3cpw s LYS 31 Cb 0.00 -2.23 -0.05 0.00 -0.52 0.00 0.00 37.83 35.03 3cpw s LYS 31 CO 0.00 0.32 1.15 -2.14 -0.92 0.00 0.00 175.35 173.76 3cpw s PRO 32 N -3.73 3.29 0.06 -1.68 0.02 -1.25 -4.77 135.00 126.93 3cpw s PRO 32 Ca 0.33 1.67 -0.03 0.00 0.02 0.00 0.00 61.00 62.98 3cpw s PRO 32 Cb -0.06 -2.01 -0.05 0.00 0.02 0.00 0.00 34.50 32.41 3cpw s PRO 32 CO 0.21 -0.91 0.26 1.03 -0.33 0.00 0.00 177.00 177.27 3cpw s ARG 33 N -3.27 3.53 -0.90 5.54 0.52 0.07 -1.16 118.95 123.28 3cpw s ARG 33 Ca 0.73 -0.23 -0.08 0.00 -0.52 0.00 0.00 55.73 55.63 3cpw s ARG 33 Cb -0.25 -3.01 0.23 0.00 0.52 0.00 0.00 34.95 32.43 3cpw s ARG 33 CO 0.29 0.60 0.82 -1.17 0.02 0.00 0.00 175.30 175.85 3cpw s LEU 34 N -2.24 6.15 -0.59 2.53 2.96 -0.04 -0.91 118.68 126.54 3cpw s LEU 34 Ca 0.33 -3.20 -0.27 0.00 -0.22 0.00 0.00 54.13 50.77 3cpw s LEU 34 Cb -0.13 -2.09 -0.02 0.00 0.50 0.00 0.00 46.19 44.46 3cpw s LEU 34 CO 0.22 -0.37 1.79 -0.69 -1.32 0.00 0.00 176.35 175.98 3cpw s VAL 35 N -0.62 3.42 -0.27 1.68 1.01 0.95 -2.49 120.40 124.08 3cpw s VAL 35 Ca 0.24 0.28 -0.13 0.00 0.00 0.00 0.00 61.98 62.36 3cpw s VAL 35 Cb -0.11 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 3cpw s VAL 35 CO -0.08 -0.94 0.31 0.00 0.00 0.00 0.00 175.10 174.38 3cpw s ALA 36 N 8.46 3.55 0.15 5.51 0.00 -0.67 -1.61 121.76 137.15 3cpw s ALA 36 Ca 0.65 -0.92 0.04 0.00 0.00 0.00 0.00 51.96 51.73 3cpw s ALA 36 Cb -0.13 -2.63 -0.04 0.00 0.00 0.00 0.00 23.12 20.32 3cpw s ALA 36 CO 0.22 -0.63 -0.09 1.03 0.00 0.00 0.00 175.76 176.29 3cpw s ARG 37 N 1.96 1.05 0.24 0.00 1.81 -0.34 -4.54 118.95 119.13 3cpw s ARG 37 Ca 0.12 -1.45 0.03 0.00 -1.72 0.00 0.00 55.73 52.71 3cpw s ARG 37 Cb -0.16 -0.57 -0.05 0.00 -0.45 0.00 0.00 34.95 33.72 3cpw s ARG 37 CO 0.10 0.05 0.01 0.15 -0.68 0.00 0.00 175.30 174.93 3cpw s LYS 38 N -3.77 1.35 0.22 3.54 1.02 -1.26 -1.34 119.74 119.51 3cpw s LYS 38 Ca 0.17 -1.69 -0.05 0.00 0.02 0.00 0.00 55.97 54.42 3cpw s LYS 38 Cb 0.03 -0.60 -0.03 0.00 -0.52 0.00 0.00 37.83 36.72 3cpw s LYS 38 CO 0.00 -0.12 0.26 0.45 -0.92 0.00 0.00 175.35 175.03 3cpw s SER 39 N -3.31 0.13 0.39 2.83 0.15 0.99 -4.96 113.70 109.91 3cpw s SER 39 Ca 0.29 -1.25 0.06 0.00 0.70 0.00 0.00 55.95 55.76 3cpw s SER 39 Cb 0.06 0.46 0.78 0.00 -1.71 0.00 0.00 66.02 65.61 3cpw s SER 39 CO 0.09 -0.96 2.00 0.78 1.20 0.00 0.00 173.24 176.35 3cpw h ASN 40 N 2.48 0.46 0.00 5.45 2.35 -2.00 -3.27 115.58 121.05 3cpw h ASN 40 Ca -0.32 -0.04 -0.08 0.00 -0.55 0.00 0.00 56.30 55.31 3cpw h ASN 40 Cb 1.25 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 39.49 3cpw h ASN 40 CO 0.46 0.41 -1.62 0.29 -1.65 0.00 0.00 177.43 175.32 3cpw n LYS 41 N -4.41 1.12 -4.47 0.81 5.02 -1.26 -4.79 118.16 110.18 3cpw n LYS 41 Ca 0.02 -0.07 -0.23 0.00 -2.02 0.00 0.00 58.31 56.02 3cpw n LYS 41 Cb 0.13 -1.28 -0.11 0.00 -0.02 0.00 0.00 35.03 33.75 3cpw n LYS 41 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3cpw s HIS 42 N -2.59 2.02 -0.04 2.13 3.76 -1.23 -2.32 115.29 117.01 3cpw s HIS 42 Ca -0.05 -0.94 -0.01 0.00 -0.15 0.00 0.00 55.06 53.92 3cpw s HIS 42 Cb 0.06 -1.34 0.03 0.00 1.11 0.00 0.00 32.58 32.44 3cpw s HIS 42 CO 0.47 0.05 0.02 0.08 -0.85 0.00 0.00 174.74 174.50 3cpw s VAL 43 N -3.23 0.14 0.03 -0.90 1.01 -1.25 -0.01 120.40 116.20 3cpw s VAL 43 Ca 0.36 0.19 0.07 0.00 0.00 0.00 0.00 61.98 62.59 3cpw s VAL 43 Cb 0.09 -0.30 -0.03 0.00 0.00 0.00 0.00 36.38 36.14 3cpw s VAL 43 CO 0.16 0.18 -0.20 -0.60 0.00 0.00 0.00 175.10 174.64 3cpw s ARG 44 N 1.55 2.05 -0.12 2.72 3.52 -0.45 -0.99 118.95 127.23 3cpw s ARG 44 Ca -0.02 -0.98 -0.02 0.00 -0.13 0.00 0.00 55.73 54.57 3cpw s ARG 44 Cb -0.13 -2.16 0.04 0.00 -1.56 0.00 0.00 34.95 31.14 3cpw s ARG 44 CO -0.03 0.54 0.01 0.00 -0.81 0.00 0.00 175.30 175.02 3cpw s ALA 45 N -0.88 0.82 0.19 6.12 0.00 0.64 -1.19 121.76 127.45 3cpw s ALA 45 Ca 0.14 -0.34 0.11 0.00 0.00 0.00 0.00 51.96 51.86 3cpw s ALA 45 Cb -0.10 -0.91 -0.04 0.00 0.00 0.00 0.00 23.12 22.06 3cpw s ALA 45 CO 0.04 -0.72 -0.21 -0.65 0.00 0.00 0.00 175.76 174.22 3cpw s GLN 46 N 1.93 1.65 -0.42 0.00 -0.21 -0.64 -0.50 119.66 121.47 3cpw s GLN 46 Ca 0.03 -1.47 -0.01 0.00 0.02 0.00 0.00 55.36 53.93 3cpw s GLN 46 Cb -0.14 -1.92 0.12 0.00 1.00 0.00 0.00 33.01 32.06 3cpw s GLN 46 CO -0.06 0.41 0.20 -0.51 -2.12 0.00 0.00 175.29 173.20 3cpw s LEU 47 N -2.71 5.09 0.04 2.90 1.43 0.75 -0.03 118.68 126.14 3cpw s LEU 47 Ca 0.22 -2.21 -0.10 0.00 -1.03 0.00 0.00 54.13 51.01 3cpw s LEU 47 Cb -0.08 -1.78 -0.05 0.00 0.03 0.00 0.00 46.19 44.31 3cpw s LEU 47 CO 0.11 -0.47 0.36 -0.69 0.23 0.00 0.00 176.35 175.89 3cpw s VAL 48 N 0.87 5.15 0.21 -1.59 1.01 -0.08 -1.27 120.40 124.68 3cpw s VAL 48 Ca 0.10 0.45 0.09 0.00 0.00 0.00 0.00 61.98 62.62 3cpw s VAL 48 Cb -0.22 -3.63 -0.05 0.00 0.00 0.00 0.00 36.38 32.49 3cpw s VAL 48 CO -0.05 0.38 -0.17 0.28 0.00 0.00 0.00 175.10 175.55 3cpw s THR 49 N -1.30 1.91 0.50 3.92 -1.32 0.12 -0.75 115.64 118.71 3cpw s THR 49 Ca 0.29 -2.17 -0.15 0.00 -1.21 0.00 0.00 61.69 58.45 3cpw s THR 49 Cb -0.14 -2.04 -0.07 0.00 -1.51 0.00 0.00 72.50 68.74 3cpw s THR 49 CO 0.16 -0.48 0.94 -0.22 -2.21 0.00 0.00 174.62 172.82 3cpw s LEU 50 N -3.17 3.64 0.16 9.08 2.96 -1.26 0.65 118.68 130.73 3cpw s LEU 50 Ca 0.22 1.47 -0.14 0.00 -0.22 0.00 0.00 54.13 55.45 3cpw s LEU 50 Cb -0.03 -4.40 0.02 0.00 0.50 0.00 0.00 46.19 42.28 3cpw s LEU 50 CO 0.08 -0.57 0.39 -0.83 -1.32 0.00 0.00 176.35 174.11 3cpw s GLY 51 N -3.17 0.01 0.40 7.98 0.00 -0.97 -4.65 107.32 106.92 3cpw s GLY 51 Ca 0.57 -0.37 0.12 0.00 0.00 0.00 0.00 44.72 45.04 3cpw s GLY 51 CO 0.33 -0.47 1.94 -2.55 0.00 0.00 0.00 173.10 172.35 3cpw h PRO 52 N 2.39 0.51 -0.03 2.90 0.11 -1.98 -2.96 132.00 132.94 3cpw h PRO 52 Ca -0.32 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.76 3cpw h PRO 52 Cb 1.25 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3cpw h PRO 52 CO 0.45 0.34 0.00 0.09 -0.21 0.00 0.00 178.00 178.66 3cpw n ASN 53 N -4.49 1.86 0.00 -2.05 3.02 -1.26 -5.09 115.26 107.25 3cpw n ASN 53 Ca 0.13 -1.77 0.00 0.00 -0.03 0.00 0.00 54.58 52.91 3cpw n ASN 53 Cb 0.42 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.57 3cpw n ASN 53 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3cpw n GLY 54 N -0.27 1.57 3.70 7.41 0.00 -1.12 -5.12 105.19 111.35 3cpw n GLY 54 Ca 0.01 -1.57 -0.31 0.00 0.00 0.00 0.00 46.02 44.16 3cpw n GLY 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3cpw s ASP 55 N 0.00 3.40 -0.14 1.61 1.01 -1.26 -2.29 116.67 118.99 3cpw s ASP 55 Ca 0.00 1.92 -0.00 0.00 0.71 0.00 0.00 52.55 55.17 3cpw s ASP 55 Cb 0.00 -2.48 0.03 0.00 1.01 0.00 0.00 42.92 41.48 3cpw s ASP 55 CO 0.00 -2.76 -0.06 -1.81 0.21 0.00 0.00 175.17 170.75 3cpw s ASP 56 N -3.01 2.55 -0.12 0.27 1.01 0.21 -4.81 116.67 112.76 3cpw s ASP 56 Ca 0.64 -0.50 -0.24 0.00 0.71 0.00 0.00 52.55 53.16 3cpw s ASP 56 Cb -0.20 -0.89 -0.03 0.00 1.01 0.00 0.00 42.92 42.81 3cpw s ASP 56 CO 0.58 -0.15 0.76 -0.89 0.21 0.00 0.00 175.17 175.67 3cpw s THR 57 N 1.66 4.97 -0.23 -1.27 2.01 -1.26 0.10 115.64 121.62 3cpw s THR 57 Ca 0.03 1.53 0.19 0.00 0.31 0.00 0.00 61.69 63.74 3cpw s THR 57 Cb -0.14 -4.08 -0.27 0.00 0.01 0.00 0.00 72.50 68.01 3cpw s THR 57 CO -0.08 0.14 0.51 0.18 -0.69 0.00 0.00 174.62 174.68 3cpw n LEU 58 N 4.54 0.21 -3.64 4.42 4.32 -0.40 -4.99 117.00 121.47 3cpw n LEU 58 Ca 0.01 -0.12 -0.09 0.00 -0.02 0.00 0.00 56.01 55.79 3cpw n LEU 58 Cb 0.50 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 42.23 3cpw n LEU 58 CO 0.47 0.05 0.71 0.00 -1.22 0.00 0.00 177.39 177.40 3cpw s ALA 59 N -3.19 -1.97 0.28 -1.18 0.00 -1.25 -4.88 121.76 109.58 3cpw s ALA 59 Ca -0.04 1.91 -0.03 0.00 0.00 0.00 0.00 51.96 53.80 3cpw s ALA 59 Cb 0.13 -1.43 -0.01 0.00 0.00 0.00 0.00 23.12 21.80 3cpw s ALA 59 CO 0.79 -0.25 0.36 -1.54 0.00 0.00 0.00 175.76 175.12 3cpw s SER 60 N 0.31 0.58 -0.28 0.00 1.04 -1.26 -0.18 113.70 113.90 3cpw s SER 60 Ca 0.02 -1.36 -0.16 0.00 0.48 0.00 0.00 55.95 54.93 3cpw s SER 60 Cb -0.05 0.56 0.09 0.00 0.10 0.00 0.00 66.02 66.72 3cpw s SER 60 CO -0.06 -1.12 0.72 0.00 0.98 0.00 0.00 173.24 173.77 3cpw s ALA 61 N -3.61 -1.95 0.06 5.32 0.00 0.35 -4.49 121.76 117.44 3cpw s ALA 61 Ca 0.32 2.39 0.07 0.00 0.00 0.00 0.00 51.96 54.74 3cpw s ALA 61 Cb 0.02 -1.49 -0.04 0.00 0.00 0.00 0.00 23.12 21.61 3cpw s ALA 61 CO 0.16 -0.42 -0.14 -1.58 0.00 0.00 0.00 175.76 173.79 3cpw s HIS 62 N 1.70 2.67 0.44 0.00 2.46 -1.26 -0.26 115.29 121.03 3cpw s HIS 62 Ca -0.10 -0.19 0.13 0.00 0.47 0.00 0.00 55.06 55.38 3cpw s HIS 62 Cb -0.05 -1.47 0.98 0.00 -0.13 0.00 0.00 32.58 31.91 3cpw s HIS 62 CO -0.19 0.34 2.01 0.66 -2.47 0.00 0.00 174.74 175.08 3cpw h SER 63 N 4.18 0.09 0.52 9.88 4.64 -1.41 -3.04 113.55 128.42 3cpw h SER 63 Ca -0.48 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 60.81 3cpw h SER 63 Cb 1.16 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 63.21 3cpw h SER 63 CO 0.50 0.21 -0.50 0.77 -0.87 0.00 0.00 176.83 176.95 3cpw h SER 64 N 0.10 -1.35 0.00 4.97 4.64 -1.92 -0.98 113.55 119.01 3cpw h SER 64 Ca 0.02 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 3cpw h SER 64 Cb 0.25 0.44 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 3cpw h SER 64 CO 0.01 -0.66 0.00 -0.90 -0.87 0.00 0.00 176.83 174.41 3cpw n ASP 65 N -5.46 0.45 0.04 4.97 5.75 -1.15 -2.42 116.55 118.74 3cpw n ASP 65 Ca -0.12 -0.63 -0.16 0.00 -0.01 0.00 0.00 54.79 53.87 3cpw n ASP 65 Cb 0.46 -0.16 -0.14 0.00 -1.03 0.00 0.00 41.12 40.25 3cpw n ASP 65 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 3cpw h LEU 66 N 0.91 0.33 -2.02 -2.12 5.85 -1.26 -3.27 115.31 113.72 3cpw h LEU 66 Ca 0.00 -0.52 0.01 0.00 0.84 0.00 0.00 57.88 58.21 3cpw h LEU 66 Cb 0.19 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.11 3cpw h LEU 66 CO 0.00 1.44 0.03 0.00 -0.34 0.00 0.00 178.44 179.57 3cpw h ALA 67 N 0.51 2.01 0.00 1.25 0.00 -1.65 -1.65 119.26 119.73 3cpw h ALA 67 Ca -0.28 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3cpw h ALA 67 Cb 2.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.81 3cpw h ALA 67 CO 0.14 -0.05 0.04 -1.91 0.00 0.00 0.00 179.25 177.47 3cpw n GLU 68 N -4.49 0.00 0.00 0.00 2.13 -1.23 -0.01 120.64 117.03 3cpw n GLU 68 Ca -0.02 0.13 0.00 0.00 0.66 0.00 0.00 57.16 57.93 3cpw n GLU 68 Cb 0.13 -1.54 0.00 0.00 0.27 0.00 0.00 31.44 30.29 3cpw n GLU 68 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 3cpw n TYR 69 N -1.05 0.00 0.00 4.31 4.02 -0.62 -4.99 117.16 118.83 3cpw n TYR 69 Ca 0.00 -0.11 0.00 0.00 -0.01 0.00 0.00 57.90 57.78 3cpw n TYR 69 Cb 0.04 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.35 3cpw n TYR 69 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3cpw n GLY 70 N -0.11 1.24 3.67 2.72 0.00 0.98 -4.98 105.19 108.71 3cpw n GLY 70 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3cpw n GLY 70 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3cpw s TRP 71 N -1.75 3.42 -0.06 1.61 -0.11 -1.18 -4.89 118.94 115.99 3cpw s TRP 71 Ca 0.00 1.39 0.08 0.00 1.22 0.00 0.00 56.10 58.80 3cpw s TRP 71 Cb 0.00 -3.12 0.12 0.00 -1.50 0.00 0.00 33.47 28.97 3cpw s TRP 71 CO 0.00 -0.30 1.02 -1.91 -4.62 0.00 0.00 176.95 171.14 3cpw n GLU 72 N 5.44 1.72 -4.08 5.86 2.13 -1.26 -4.26 120.64 126.19 3cpw n GLU 72 Ca 0.07 -1.82 -0.26 0.00 0.66 0.00 0.00 57.16 55.81 3cpw n GLU 72 Cb 0.48 -1.12 -0.05 0.00 0.27 0.00 0.00 31.44 31.02 3cpw n GLU 72 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3cpw s ALA 73 N -1.62 3.98 0.98 4.31 0.00 -1.26 -4.41 121.76 123.75 3cpw s ALA 73 Ca 0.14 -1.58 -0.12 0.00 0.00 0.00 0.00 51.96 50.40 3cpw s ALA 73 Cb 0.12 -0.50 0.14 0.00 0.00 0.00 0.00 23.12 22.87 3cpw s ALA 73 CO 0.01 -0.25 0.86 -2.30 0.00 0.00 0.00 175.76 174.08 3cpw n PRO 74 N -1.44 -0.79 -0.18 0.00 -0.02 -1.26 -4.96 135.00 126.34 3cpw n PRO 74 Ca -0.03 -0.18 0.09 0.00 -2.02 0.00 0.00 63.50 61.36 3cpw n PRO 74 Cb 0.65 -2.16 0.15 0.00 -0.02 0.00 0.00 33.50 32.11 3cpw n PRO 74 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3cpw n THR 75 N -4.21 1.94 -1.90 3.45 -2.24 -1.26 -4.69 114.28 105.37 3cpw n THR 75 Ca 0.09 -2.45 -0.10 0.00 -2.27 0.00 0.00 64.05 59.31 3cpw n THR 75 Cb 0.53 -0.23 0.10 0.00 -2.10 0.00 0.00 70.33 68.63 3cpw n THR 75 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3cpw n GLY 76 N -1.37 5.58 3.50 3.38 0.00 -0.98 -3.88 105.19 111.42 3cpw n GLY 76 Ca 0.16 -2.02 -0.24 0.00 0.00 0.00 0.00 46.02 43.92 3cpw n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cpw s ASN 77 N -3.42 2.66 0.14 1.61 2.20 -1.26 -4.99 114.94 111.88 3cpw s ASN 77 Ca 0.44 -1.59 -0.26 0.00 -0.94 0.00 0.00 52.86 50.51 3cpw s ASN 77 Cb 0.39 0.35 -0.03 0.00 -2.00 0.00 0.00 41.25 39.96 3cpw s ASN 77 CO -0.01 -0.84 1.60 0.24 -2.94 0.00 0.00 177.10 175.15 3cpw h MET 78 N 1.88 -0.40 -0.99 3.55 2.86 -1.88 -0.60 114.93 119.35 3cpw h MET 78 Ca -0.37 0.03 0.09 0.00 -2.06 0.00 0.00 59.70 57.39 3cpw h MET 78 Cb 1.27 0.09 -0.07 0.00 0.06 0.00 0.00 31.60 32.94 3cpw h MET 78 CO 0.61 -0.27 0.63 -1.35 1.06 0.00 0.00 176.91 177.59 3cpw h PRO 79 N -0.42 1.03 0.65 -0.22 0.11 -1.63 -0.58 132.00 130.95 3cpw h PRO 79 Ca 0.09 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.11 3cpw h PRO 79 Cb 0.56 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.43 3cpw h PRO 79 CO -0.36 0.68 -0.42 1.03 -0.21 0.00 0.00 178.00 178.73 3cpw h SER 80 N 1.06 -1.06 -0.37 -2.05 0.87 -1.69 -2.23 113.55 108.08 3cpw h SER 80 Ca 0.46 0.06 0.07 0.00 -1.23 0.00 0.00 61.79 61.15 3cpw h SER 80 Cb 0.33 0.32 -0.06 0.00 -0.44 0.00 0.00 62.40 62.55 3cpw h SER 80 CO -0.21 -0.64 -0.04 0.00 -0.53 0.00 0.00 176.83 175.41 3cpw h ALA 81 N -0.78 0.30 0.04 6.23 0.00 -0.49 -0.29 119.26 124.25 3cpw h ALA 81 Ca -0.08 0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.97 3cpw h ALA 81 Cb 0.83 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 3cpw h ALA 81 CO 0.07 -0.43 -0.14 -0.92 0.00 0.00 0.00 179.25 177.84 3cpw h TYR 82 N 0.05 -0.36 -0.80 0.00 3.20 -1.09 -1.72 116.97 116.25 3cpw h TYR 82 Ca 0.18 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.08 3cpw h TYR 82 Cb 0.26 0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.65 3cpw h TYR 82 CO -0.29 -0.21 0.52 -0.07 -1.64 0.00 0.00 178.16 176.47 3cpw h LEU 83 N -0.25 0.89 -1.45 2.82 3.38 -1.07 -1.34 115.31 118.29 3cpw h LEU 83 Ca 0.04 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3cpw h LEU 83 Cb 0.30 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 3cpw h LEU 83 CO -0.11 0.63 0.36 0.74 0.09 0.00 0.00 178.44 180.15 3cpw h THR 84 N 1.05 1.14 -0.13 0.22 2.02 -0.79 0.26 112.91 116.68 3cpw h THR 84 Ca 0.30 -0.27 -0.02 0.00 0.77 0.00 0.00 66.41 67.19 3cpw h THR 84 Cb -0.07 0.33 -0.00 0.00 -1.74 0.00 0.00 68.15 66.67 3cpw h THR 84 CO -0.08 0.14 -0.01 1.23 0.37 0.00 0.00 175.52 177.17 3cpw h GLY 85 N 0.76 0.26 1.32 2.16 0.00 -0.37 -0.74 103.07 106.46 3cpw h GLY 85 Ca 0.20 -0.20 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 3cpw h GLY 85 CO -0.04 0.18 0.25 -2.00 0.00 0.00 0.00 176.54 174.93 3cpw h LEU 86 N -0.03 0.80 0.15 3.11 5.85 -0.55 0.75 115.31 125.38 3cpw h LEU 86 Ca 0.04 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 3cpw h LEU 86 Cb 0.39 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.22 3cpw h LEU 86 CO 0.01 0.71 -0.07 0.25 -0.34 0.00 0.00 178.44 179.00 3cpw h LEU 87 N 0.87 -0.17 -0.40 2.25 5.85 -0.39 -0.43 115.31 122.88 3cpw h LEU 87 Ca 0.21 -0.25 0.03 0.00 0.84 0.00 0.00 57.88 58.70 3cpw h LEU 87 Cb 0.15 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 3cpw h LEU 87 CO -0.02 0.17 0.21 0.00 -0.34 0.00 0.00 178.44 178.46 3cpw h ALA 88 N 0.26 0.50 0.23 1.25 0.00 -0.83 -1.27 119.26 119.40 3cpw h ALA 88 Ca -0.02 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.91 3cpw h ALA 88 Cb 0.41 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 3cpw h ALA 88 CO 0.03 -0.15 -0.52 0.78 0.00 0.00 0.00 179.25 179.40 3cpw h GLY 89 N 0.42 -1.17 -0.08 0.00 0.00 0.61 0.66 103.07 103.52 3cpw h GLY 89 Ca 0.17 0.62 0.08 0.00 0.00 0.00 0.00 47.33 48.20 3cpw h GLY 89 CO -0.11 -0.30 -0.29 1.41 0.00 0.00 0.00 176.54 177.25 3cpw h LEU 90 N -0.83 -0.96 -1.48 3.11 3.38 -0.79 0.31 115.31 118.07 3cpw h LEU 90 Ca -0.02 0.18 0.14 0.00 0.09 0.00 0.00 57.88 58.26 3cpw h LEU 90 Cb 0.79 0.46 -0.05 0.00 0.09 0.00 0.00 40.66 41.94 3cpw h LEU 90 CO -0.22 -0.30 0.51 0.03 0.09 0.00 0.00 178.44 178.55 3cpw h ARG 91 N -0.24 0.51 -0.54 1.13 3.08 -1.00 -0.88 114.38 116.44 3cpw h ARG 91 Ca 0.17 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 60.14 3cpw h ARG 91 Cb 0.51 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 3cpw h ARG 91 CO -0.50 0.34 0.15 0.00 -1.07 0.00 0.00 179.97 178.89 3cpw h ALA 92 N 1.63 0.72 -0.83 0.04 0.00 0.20 -2.21 119.26 118.81 3cpw h ALA 92 Ca 0.38 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 3cpw h ALA 92 Cb 0.73 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 3cpw h ALA 92 CO -0.14 0.39 0.38 1.96 0.00 0.00 0.00 179.25 181.84 3cpw h GLN 93 N 0.76 1.20 -0.61 0.00 1.08 0.19 -1.40 115.11 116.33 3cpw h GLN 93 Ca 0.17 -0.19 0.07 0.00 -1.45 0.00 0.00 58.65 57.25 3cpw h GLN 93 Cb 0.31 -0.21 -0.06 0.00 -0.05 0.00 0.00 27.48 27.47 3cpw h GLN 93 CO -0.00 0.94 0.30 0.93 -0.95 0.00 0.00 178.83 180.05 3cpw h GLU 94 N 1.18 0.54 0.00 1.46 4.39 -0.99 0.70 114.58 121.87 3cpw h GLU 94 Ca 0.28 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.95 3cpw h GLU 94 Cb 0.15 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 3cpw h GLU 94 CO -0.03 0.36 0.00 0.00 -1.16 0.00 0.00 179.01 178.18 3cpw n ALA 95 N -2.37 2.06 -0.15 3.43 0.00 -0.87 -4.84 120.51 117.76 3cpw n ALA 95 Ca 0.07 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3cpw n ALA 95 Cb 0.19 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.36 3cpw n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cpw n GLY 96 N 0.12 0.77 3.71 0.00 0.00 0.24 -5.04 105.19 104.99 3cpw n GLY 96 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 3cpw n GLY 96 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cpw s VAL 97 N -2.45 3.21 -0.05 1.61 1.01 -0.57 -4.93 120.40 118.24 3cpw s VAL 97 Ca 0.00 0.86 0.08 0.00 0.00 0.00 0.00 61.98 62.91 3cpw s VAL 97 Cb 0.00 -3.55 -0.11 0.00 0.00 0.00 0.00 36.38 32.72 3cpw s VAL 97 CO 0.00 0.06 0.10 -0.62 0.00 0.00 0.00 175.10 174.64 3cpw n GLU 98 N 4.05 1.60 -3.89 2.72 1.02 -1.26 -3.96 120.64 120.93 3cpw n GLU 98 Ca 0.12 -0.04 -0.09 0.00 -0.02 0.00 0.00 57.16 57.14 3cpw n GLU 98 Cb 0.42 -1.20 -0.08 0.00 -0.02 0.00 0.00 31.44 30.56 3cpw n GLU 98 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 3cpw s GLU 99 N -2.37 0.81 0.27 3.49 -1.05 -1.26 -1.44 118.70 117.15 3cpw s GLU 99 Ca -0.03 -0.99 -0.21 0.00 -0.15 0.00 0.00 54.97 53.58 3cpw s GLU 99 Cb 0.04 0.32 0.03 0.00 -0.44 0.00 0.00 34.13 34.08 3cpw s GLU 99 CO 0.33 -0.25 0.75 0.00 0.95 0.00 0.00 175.26 177.05 3cpw s ALA 100 N -3.86 -1.26 -0.02 -0.84 0.00 -0.80 -3.97 121.76 111.01 3cpw s ALA 100 Ca 0.05 -0.27 0.07 0.00 0.00 0.00 0.00 51.96 51.81 3cpw s ALA 100 Cb 0.05 0.82 -0.02 0.00 0.00 0.00 0.00 23.12 23.97 3cpw s ALA 100 CO -0.11 -1.04 -0.24 0.08 0.00 0.00 0.00 175.76 174.45 3cpw s VAL 101 N -3.78 1.91 -0.18 0.00 1.01 -0.31 -3.83 120.40 115.22 3cpw s VAL 101 Ca 0.11 -1.03 -0.29 0.00 0.00 0.00 0.00 61.98 60.77 3cpw s VAL 101 Cb -0.05 -1.59 -0.02 0.00 0.00 0.00 0.00 36.38 34.72 3cpw s VAL 101 CO 0.07 0.54 1.36 -0.22 0.00 0.00 0.00 175.10 176.85 3cpw s LEU 102 N -0.52 4.12 -0.32 3.92 2.96 -1.26 -0.86 118.68 126.72 3cpw s LEU 102 Ca 0.08 1.68 -0.07 0.00 -0.22 0.00 0.00 54.13 55.60 3cpw s LEU 102 Cb -0.10 -3.54 0.03 0.00 0.50 0.00 0.00 46.19 43.08 3cpw s LEU 102 CO -0.00 -0.89 0.10 -0.62 -1.32 0.00 0.00 176.35 173.61 3cpw s ASP 103 N 2.56 5.26 -0.17 3.68 -1.08 -1.04 -4.90 116.67 120.98 3cpw s ASP 103 Ca 0.59 -0.97 0.16 0.00 -0.52 0.00 0.00 52.55 51.81 3cpw s ASP 103 Cb -0.23 -1.88 0.61 0.00 -1.46 0.00 0.00 42.92 39.96 3cpw s ASP 103 CO 0.20 -0.28 1.52 2.30 0.52 0.00 0.00 175.17 179.43 3cpw n ILE 104 N 4.84 2.21 -0.87 4.11 -5.35 -1.26 -1.67 119.36 121.36 3cpw n ILE 104 Ca -0.13 -1.57 0.00 0.00 -0.27 0.00 0.00 62.75 60.77 3cpw n ILE 104 Cb 0.46 -0.13 0.00 0.00 -1.74 0.00 0.00 39.64 38.23 3cpw n ILE 104 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3cpw n GLY 105 N 0.11 2.40 0.95 3.28 0.00 -1.26 -1.30 105.19 109.37 3cpw n GLY 105 Ca 0.23 -0.17 0.03 0.00 0.00 0.00 0.00 46.02 46.11 3cpw n GLY 105 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3cpw n LEU 106 N 0.00 2.61 -4.92 0.99 4.77 -1.26 -4.90 117.00 114.29 3cpw n LEU 106 Ca 0.00 -1.32 -0.27 0.00 -0.03 0.00 0.00 56.01 54.39 3cpw n LEU 106 Cb 0.00 -0.51 0.06 0.00 -2.33 0.00 0.00 43.42 40.64 3cpw n LEU 106 CO 0.00 0.39 0.64 0.20 -1.33 0.00 0.00 177.39 177.29 3cpw s ASN 107 N -0.41 5.00 -0.13 -1.43 -0.87 -0.42 -5.07 114.94 111.61 3cpw s ASN 107 Ca 0.21 0.62 -0.07 0.00 -1.57 0.00 0.00 52.86 52.05 3cpw s ASN 107 Cb 0.15 -1.34 -0.04 0.00 -0.02 0.00 0.00 41.25 40.00 3cpw s ASN 107 CO 0.07 -1.50 0.14 -0.44 -2.57 0.00 0.00 177.10 172.80 3cpw s SER 108 N -4.46 6.34 0.00 -1.22 0.01 -1.26 -4.98 113.70 108.12 3cpw s SER 108 Ca 0.59 0.42 0.00 0.00 1.31 0.00 0.00 55.95 58.27 3cpw s SER 108 Cb -0.11 -2.07 0.00 0.00 0.21 0.00 0.00 66.02 64.06 3cpw s SER 108 CO 0.46 0.37 0.59 -2.65 0.41 0.00 0.00 173.24 172.42 3cpw n PRO 109 N 2.25 0.39 -2.07 12.44 -0.02 -1.26 -4.89 135.00 141.84 3cpw n PRO 109 Ca -0.19 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 60.87 3cpw n PRO 109 Cb 0.54 -1.30 -0.02 0.00 -0.02 0.00 0.00 33.50 32.70 3cpw n PRO 109 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3cpw s THR 110 N 0.90 2.80 0.41 3.45 2.01 -1.26 -4.95 115.64 119.01 3cpw s THR 110 Ca 0.00 0.68 -0.27 0.00 0.31 0.00 0.00 61.69 62.41 3cpw s THR 110 Cb 0.00 -3.43 -0.10 0.00 0.01 0.00 0.00 72.50 68.98 3cpw s THR 110 CO 0.00 0.11 1.47 -2.65 -0.69 0.00 0.00 174.62 172.86 3cpw n PRO 111 N 2.38 2.50 -0.85 4.92 -0.02 -1.26 -2.19 135.00 140.48 3cpw n PRO 111 Ca 0.06 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.43 3cpw n PRO 111 Cb 0.41 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.22 3cpw n PRO 111 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3cpw n GLY 112 N 0.49 0.44 3.39 -1.23 0.00 -0.14 -4.92 105.19 103.23 3cpw n GLY 112 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 3cpw n GLY 112 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3cpw s SER 113 N -2.35 -0.15 0.15 1.61 0.01 -0.93 -4.53 113.70 107.52 3cpw s SER 113 Ca 0.00 1.12 0.03 0.00 1.31 0.00 0.00 55.95 58.41 3cpw s SER 113 Cb 0.00 -1.67 -0.05 0.00 0.21 0.00 0.00 66.02 64.51 3cpw s SER 113 CO 0.00 -4.84 1.35 0.11 0.41 0.00 0.00 173.24 170.27 3cpw h LYS 114 N -3.06 0.15 0.00 12.44 1.57 -1.94 -2.61 116.57 123.12 3cpw h LYS 114 Ca -0.52 -0.18 -0.00 0.00 -1.87 0.00 0.00 60.65 58.07 3cpw h LYS 114 Cb 1.34 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.70 3cpw h LYS 114 CO 0.39 0.96 -0.02 -0.39 -0.57 0.00 0.00 179.45 179.82 3cpw h VAL 115 N 0.08 0.07 0.00 0.50 -1.51 -1.94 0.36 116.25 113.81 3cpw h VAL 115 Ca -0.04 -0.38 -0.10 0.00 -1.23 0.00 0.00 66.70 64.94 3cpw h VAL 115 Cb 1.57 1.35 -0.02 0.00 -2.13 0.00 0.00 31.29 32.07 3cpw h VAL 115 CO 0.14 0.02 -1.18 -0.26 -1.23 0.00 0.00 177.57 175.06 3cpw h PHE 116 N 0.00 0.00 -0.06 5.19 0.05 -1.88 -2.86 116.94 117.38 3cpw h PHE 116 Ca -0.00 0.00 -0.11 0.00 3.82 0.00 0.00 57.97 61.68 3cpw h PHE 116 Cb 0.35 0.00 0.01 0.00 2.00 0.00 0.00 35.95 38.31 3cpw h PHE 116 CO 0.00 0.35 -0.40 0.00 -0.18 0.00 0.00 178.31 178.08 3cpw h ALA 117 N 1.65 0.13 -0.83 2.45 0.00 -0.72 -1.59 119.26 120.35 3cpw h ALA 117 Ca -0.09 -0.48 0.12 0.00 0.00 0.00 0.00 54.91 54.46 3cpw h ALA 117 Cb 1.35 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.08 3cpw h ALA 117 CO 0.03 0.25 0.54 0.82 0.00 0.00 0.00 179.25 180.89 3cpw h ILE 118 N -0.11 0.88 -0.36 0.00 2.04 -0.42 -0.14 117.51 119.41 3cpw h ILE 118 Ca -0.03 -0.23 -0.16 0.00 1.00 0.00 0.00 64.86 65.43 3cpw h ILE 118 Cb 1.07 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 3cpw h ILE 118 CO 0.08 0.12 -0.42 -0.61 0.00 0.00 0.00 178.15 177.33 3cpw h GLN 119 N 0.68 0.90 -0.15 2.37 4.15 -1.29 -2.23 115.11 119.54 3cpw h GLN 119 Ca 0.40 -0.49 -0.08 0.00 0.77 0.00 0.00 58.65 59.25 3cpw h GLN 119 Cb 0.60 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.31 3cpw h GLN 119 CO -0.16 1.14 -0.25 1.49 -1.93 0.00 0.00 178.83 179.11 3cpw h GLU 120 N 0.73 0.28 0.67 1.69 4.81 -0.10 -1.41 114.58 121.24 3cpw h GLU 120 Ca 0.05 -0.09 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 3cpw h GLU 120 Cb 1.01 -0.02 0.01 0.00 0.63 0.00 0.00 28.75 30.37 3cpw h GLU 120 CO 0.10 0.52 -0.32 0.78 -0.73 0.00 0.00 179.01 179.36 3cpw h GLY 121 N 0.98 -0.94 -0.12 1.92 0.00 -0.89 -1.61 103.07 102.41 3cpw h GLY 121 Ca 0.04 0.35 0.18 0.00 0.00 0.00 0.00 47.33 47.90 3cpw h GLY 121 CO 0.04 -0.34 0.25 0.00 0.00 0.00 0.00 176.54 176.49 3cpw h ALA 122 N -1.43 1.11 -0.46 3.60 0.00 -1.32 0.67 119.26 121.44 3cpw h ALA 122 Ca -0.09 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3cpw h ALA 122 Cb 0.69 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 3cpw h ALA 122 CO 0.15 -0.34 0.30 0.82 0.00 0.00 0.00 179.25 180.18 3cpw h ILE 123 N 0.31 1.13 -0.15 0.00 2.04 -1.20 -2.18 117.51 117.46 3cpw h ILE 123 Ca 0.46 -0.24 -0.07 0.00 1.00 0.00 0.00 64.86 66.00 3cpw h ILE 123 Cb 0.82 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 3cpw h ILE 123 CO -0.52 0.12 -0.24 0.44 0.00 0.00 0.00 178.15 177.95 3cpw h ASP 124 N 0.62 0.27 -0.01 1.72 3.32 -0.07 -0.05 116.42 122.20 3cpw h ASP 124 Ca 0.17 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.14 3cpw h ASP 124 Cb -0.05 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.42 3cpw h ASP 124 CO -0.03 0.52 0.14 0.00 -1.72 0.00 0.00 179.24 178.14 3cpw h ALA 125 N 1.51 1.19 0.00 3.45 0.00 -0.33 -3.44 119.26 121.64 3cpw h ALA 125 Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3cpw h ALA 125 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3cpw h ALA 125 CO 0.04 -0.15 0.00 0.41 0.00 0.00 0.00 179.25 179.55 3cpw n GLY 126 N -1.16 1.91 3.70 0.00 0.00 -0.04 -4.61 105.19 104.99 3cpw n GLY 126 Ca -0.02 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.56 3cpw n GLY 126 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3cpw n LEU 127 N 0.00 3.67 -4.52 0.99 7.94 -0.96 -4.93 117.00 119.19 3cpw n LEU 127 Ca 0.00 1.10 -0.43 0.00 -1.11 0.00 0.00 56.01 55.57 3cpw n LEU 127 Cb 0.00 -1.51 -0.04 0.00 0.53 0.00 0.00 43.42 42.40 3cpw n LEU 127 CO 0.00 -0.07 0.79 -0.62 -1.11 0.00 0.00 177.39 176.38 3cpw s ASP 128 N 0.81 6.33 -0.07 1.96 -1.08 -0.52 -4.17 116.67 119.93 3cpw s ASP 128 Ca 0.73 -0.37 0.01 0.00 -0.52 0.00 0.00 52.55 52.40 3cpw s ASP 128 Cb -0.58 -2.45 0.02 0.00 -1.46 0.00 0.00 42.92 38.45 3cpw s ASP 128 CO 0.40 -1.28 -0.10 -0.63 0.52 0.00 0.00 175.17 174.08 3cpw s ILE 129 N 4.09 0.99 -0.10 4.11 1.01 -1.26 -1.91 121.20 128.13 3cpw s ILE 129 Ca 0.31 -0.36 -0.32 0.00 0.00 0.00 0.00 60.65 60.28 3cpw s ILE 129 Cb -0.12 -0.95 -0.10 0.00 0.01 0.00 0.00 42.46 41.30 3cpw s ILE 129 CO 0.19 0.33 2.00 -2.65 0.00 0.00 0.00 174.94 174.81 3cpw n PRO 130 N 4.14 2.24 -4.14 2.79 -0.02 -1.25 -4.92 135.00 133.85 3cpw n PRO 130 Ca -0.20 0.78 -0.16 0.00 -2.02 0.00 0.00 63.50 61.89 3cpw n PRO 130 Cb 0.51 -2.84 -0.05 0.00 -0.02 0.00 0.00 33.50 31.11 3cpw n PRO 130 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 3cpw s HIS 131 N 5.21 1.28 -0.19 6.00 -3.43 -1.26 -4.70 115.29 118.20 3cpw s HIS 131 Ca 0.95 -1.42 -0.03 0.00 -0.80 0.00 0.00 55.06 53.75 3cpw s HIS 131 Cb -0.57 -0.24 0.06 0.00 -1.43 0.00 0.00 32.58 30.40 3cpw s HIS 131 CO 0.46 -1.10 0.05 1.21 -2.00 0.00 0.00 174.74 173.35 3cpw s ASN 132 N -3.29 2.78 0.46 7.38 3.84 -1.26 -5.05 114.94 119.79 3cpw s ASN 132 Ca 0.33 -0.78 0.20 0.00 0.21 0.00 0.00 52.86 52.83 3cpw s ASN 132 Cb -0.00 -0.51 1.18 0.00 -0.55 0.00 0.00 41.25 41.37 3cpw s ASN 132 CO 0.23 -0.32 1.91 0.44 -2.79 0.00 0.00 177.10 176.57 3cpw h ASP 133 N 8.29 0.27 -0.49 -4.21 3.32 -2.01 -2.80 116.42 118.79 3cpw h ASP 133 Ca -0.16 0.02 -0.19 0.00 0.02 0.00 0.00 57.03 56.73 3cpw h ASP 133 Cb 1.13 -0.03 -0.11 0.00 0.22 0.00 0.00 39.33 40.53 3cpw h ASP 133 CO 0.33 0.13 0.23 -0.90 -1.72 0.00 0.00 179.24 177.31 3cpw n ASP 134 N -4.44 3.58 0.00 6.45 5.68 -1.26 -3.19 116.55 123.37 3cpw n ASP 134 Ca 0.16 -2.79 0.00 0.00 -0.50 0.00 0.00 54.79 51.66 3cpw n ASP 134 Cb 0.65 -0.66 0.00 0.00 -1.14 0.00 0.00 41.12 39.97 3cpw n ASP 134 CO 0.00 0.00 0.00 0.55 -1.33 0.00 0.00 177.20 176.42 3cpw n VAL 135 N -0.14 0.00 -3.54 2.12 3.14 -1.06 -4.97 118.33 113.88 3cpw n VAL 135 Ca 0.28 -0.47 -0.27 0.00 -2.96 0.00 0.00 64.34 60.92 3cpw n VAL 135 Cb 1.04 1.05 -0.03 0.00 -1.06 0.00 0.00 33.84 34.85 3cpw n VAL 135 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 3cpw s LEU 136 N -0.32 4.14 1.47 6.55 1.43 -1.19 -0.97 118.68 129.79 3cpw s LEU 136 Ca 0.00 0.48 -0.24 0.00 -1.03 0.00 0.00 54.13 53.34 3cpw s LEU 136 Cb 0.00 -3.28 0.38 0.00 0.03 0.00 0.00 46.19 43.32 3cpw s LEU 136 CO 0.00 -0.14 0.89 0.00 0.23 0.00 0.00 176.35 177.33 3cpw s ALA 137 N -2.04 -0.96 -0.74 4.21 0.00 -1.26 -4.45 121.76 116.52 3cpw s ALA 137 Ca 0.40 -0.82 -0.01 0.00 0.00 0.00 0.00 51.96 51.54 3cpw s ALA 137 Cb -0.10 -2.94 0.38 0.00 0.00 0.00 0.00 23.12 20.45 3cpw s ALA 137 CO 0.31 -4.79 1.85 -0.40 0.00 0.00 0.00 175.76 172.72 3cpw n ASP 138 N -5.81 6.99 0.00 0.00 5.75 -1.26 -4.97 116.55 117.25 3cpw n ASP 138 Ca 0.13 -3.81 0.00 0.00 -0.01 0.00 0.00 54.79 51.10 3cpw n ASP 138 Cb 0.60 -0.93 0.00 0.00 -1.03 0.00 0.00 41.12 39.76 3cpw n ASP 138 CO 0.00 0.00 0.00 1.87 -0.11 0.00 0.00 177.20 178.96 3cpw n TRP 139 N -0.58 0.00 -0.20 2.11 -0.00 -1.26 -4.27 117.44 113.25 3cpw n TRP 139 Ca 0.52 0.00 0.01 0.00 -0.00 0.00 0.00 57.50 58.03 3cpw n TRP 139 Cb 0.37 0.00 0.10 0.00 -0.00 0.00 0.00 31.31 31.78 3cpw n TRP 139 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 177.69 179.65 3cpw h GLN 140 N 0.00 0.15 -0.73 5.87 1.08 -1.99 0.32 115.11 119.80 3cpw h GLN 140 Ca 0.00 -0.01 -0.03 0.00 -1.45 0.00 0.00 58.65 57.16 3cpw h GLN 140 Cb 0.00 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.36 3cpw h GLN 140 CO 0.00 0.10 0.34 -0.09 -0.95 0.00 0.00 178.83 178.22 3cpw h ARG 141 N 0.15 1.06 -0.79 1.46 2.43 -1.96 -1.57 114.38 115.16 3cpw h ARG 141 Ca 0.31 -0.15 -0.00 0.00 -0.81 0.00 0.00 59.98 59.33 3cpw h ARG 141 Cb 0.50 -0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 29.82 3cpw h ARG 141 CO -0.48 0.83 0.49 1.15 -1.51 0.00 0.00 179.97 180.44 3cpw h THR 142 N 1.05 1.22 -0.51 0.20 2.02 -0.96 -1.67 112.91 114.25 3cpw h THR 142 Ca 0.25 -0.46 0.02 0.00 0.77 0.00 0.00 66.41 66.99 3cpw h THR 142 Cb 0.13 0.09 -0.03 0.00 -1.74 0.00 0.00 68.15 66.61 3cpw h THR 142 CO -0.03 0.22 0.34 0.03 0.37 0.00 0.00 175.52 176.45 3cpw h ARG 143 N 1.09 0.61 0.00 6.66 3.08 0.37 -2.13 114.38 124.06 3cpw h ARG 143 Ca 0.29 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.30 3cpw h ARG 143 Cb -0.06 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 29.85 3cpw h ARG 143 CO -0.06 0.41 0.00 0.41 -1.07 0.00 0.00 179.97 179.66 3cpw n GLY 144 N -1.47 1.59 0.27 0.04 0.00 -0.63 -4.50 105.19 100.49 3cpw n GLY 144 Ca 0.05 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.01 3cpw n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cpw h ALA 145 N 0.00 0.83 -0.53 4.61 0.00 -1.48 -1.95 119.26 120.75 3cpw h ALA 145 Ca 0.00 -0.07 0.15 0.00 0.00 0.00 0.00 54.91 54.99 3cpw h ALA 145 Cb 0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3cpw h ALA 145 CO 0.00 0.30 0.40 1.12 0.00 0.00 0.00 179.25 181.08 3cpw h HIS 146 N 0.89 0.00 0.03 0.00 2.07 -1.81 -0.48 115.15 115.85 3cpw h HIS 146 Ca 0.24 0.00 -0.27 0.00 -2.85 0.00 0.00 60.37 57.49 3cpw h HIS 146 Cb -0.04 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 29.91 3cpw h HIS 146 CO -0.02 0.00 -1.44 0.97 -3.07 0.00 0.00 177.93 174.37 3cpw h ILE 147 N 0.00 1.20 -0.10 6.12 2.10 -1.73 -2.98 117.51 122.11 3cpw h ILE 147 Ca 0.25 -2.95 -0.01 0.00 1.08 0.00 0.00 64.86 63.23 3cpw h ILE 147 Cb 1.06 2.64 -0.00 0.00 -1.09 0.00 0.00 36.82 39.42 3cpw h ILE 147 CO -0.00 0.73 0.02 0.00 -1.08 0.00 0.00 178.15 177.82 3cpw h ALA 148 N 0.87 0.14 -0.18 0.18 0.00 -0.52 -1.98 119.26 117.76 3cpw h ALA 148 Ca -0.19 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.52 3cpw h ALA 148 Cb 1.93 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.67 3cpw h ALA 148 CO 0.11 -0.21 -0.11 0.93 0.00 0.00 0.00 179.25 179.97 3cpw h GLU 149 N -0.06 0.28 -0.18 0.00 5.08 -1.44 -1.22 114.58 117.04 3cpw h GLU 149 Ca 0.03 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 3cpw h GLU 149 Cb 0.28 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 3cpw h GLU 149 CO 0.00 0.41 -0.14 -0.92 -1.00 0.00 0.00 179.01 177.36 3cpw h TYR 150 N 0.27 0.32 0.00 4.33 3.20 -1.33 -0.79 116.97 122.97 3cpw h TYR 150 Ca 0.06 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.89 3cpw h TYR 150 Cb 0.37 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.55 3cpw h TYR 150 CO 0.01 0.44 0.00 0.22 -1.64 0.00 0.00 178.16 177.18 3cpw h ASP 151 N 0.28 0.00 -0.34 -2.11 1.82 -0.48 -2.90 116.42 112.69 3cpw h ASP 151 Ca 0.06 0.00 -0.08 0.00 -0.39 0.00 0.00 57.03 56.61 3cpw h ASP 151 Cb 0.42 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.41 3cpw h ASP 151 CO 0.02 0.00 -0.06 -0.08 -1.61 0.00 0.00 179.24 177.51 3cpw h GLU 152 N 0.00 0.75 -1.68 0.28 4.57 -0.39 -0.49 114.58 117.63 3cpw h GLU 152 Ca 0.00 -0.22 0.00 0.00 -1.18 0.00 0.00 59.36 57.96 3cpw h GLU 152 Cb 0.78 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.30 3cpw h GLU 152 CO 0.00 0.80 0.00 1.04 -1.18 0.00 0.00 179.01 179.67 3cpw n GLN 153 N -4.19 0.86 0.00 1.92 6.02 -1.09 -4.76 117.38 116.14 3cpw n GLN 153 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 3cpw n GLN 153 Cb 0.33 -1.07 0.00 0.00 1.02 0.00 0.00 30.24 30.52 3cpw n GLN 153 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 3cpw n LEU 154 N 1.19 0.00 0.00 1.08 7.94 -0.19 -4.81 117.00 122.21 3cpw n LEU 154 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 3cpw n LEU 154 Cb 0.43 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.38 3cpw n LEU 154 CO 0.00 0.00 0.00 1.21 -1.11 0.00 0.00 177.39 177.49 3cpw n GLU 155 N 0.00 0.00 -3.62 1.96 2.13 -1.26 -4.89 120.64 114.96 3cpw n GLU 155 Ca 0.00 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.81 3cpw n GLU 155 Cb 0.00 -0.24 -0.04 0.00 0.27 0.00 0.00 31.44 31.42 3cpw n GLU 155 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 3cpw s GLU 156 N -0.39 0.55 -0.15 5.31 2.02 -1.26 -5.14 118.70 119.64 3cpw s GLU 156 Ca 0.00 1.33 -0.42 0.00 0.02 0.00 0.00 54.97 55.90 3cpw s GLU 156 Cb 0.00 0.73 -0.19 0.00 0.10 0.00 0.00 34.13 34.77 3cpw s GLU 156 CO 0.00 -0.18 1.31 -2.30 0.02 0.00 0.00 175.26 174.11 3cpw n PRO 157 N 5.24 0.24 0.26 0.39 -0.02 -1.26 -4.82 135.00 135.03 3cpw n PRO 157 Ca -0.13 0.09 0.13 0.00 -2.02 0.00 0.00 63.50 61.57 3cpw n PRO 157 Cb 0.51 -1.62 0.72 0.00 -0.02 0.00 0.00 33.50 33.09 3cpw n PRO 157 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3cpw h LEU 158 N 4.10 0.00 -8.54 2.45 5.85 -1.92 -3.40 115.31 113.86 3cpw h LEU 158 Ca -0.48 0.00 -0.65 0.00 0.84 0.00 0.00 57.88 57.59 3cpw h LEU 158 Cb 1.39 0.00 -0.25 0.00 0.37 0.00 0.00 40.66 42.17 3cpw h LEU 158 CO 0.78 0.12 -0.69 -0.31 -0.34 0.00 0.00 178.44 178.00 3cpw s TYR 159 N -4.08 3.00 -0.77 1.25 1.51 -1.26 -5.04 117.35 111.96 3cpw s TYR 159 Ca -0.02 -0.68 -0.26 0.00 -1.01 0.00 0.00 57.07 55.10 3cpw s TYR 159 Cb 0.12 -2.11 -0.01 0.00 -0.11 0.00 0.00 41.96 39.85 3cpw s TYR 159 CO 0.58 -0.41 1.74 0.45 -1.11 0.00 0.00 175.55 176.81 3cpw s SER 160 N 1.32 5.52 0.00 2.29 0.15 -1.26 -4.50 113.70 117.21 3cpw s SER 160 Ca 0.04 -0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.39 3cpw s SER 160 Cb -0.15 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.62 3cpw s SER 160 CO -0.00 -2.30 0.00 0.61 1.20 0.00 0.00 173.24 172.75 3cpw n GLY 161 N 6.13 1.87 2.58 9.45 0.00 -1.26 -4.91 105.19 119.05 3cpw n GLY 161 Ca 0.25 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.46 3cpw n GLY 161 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3cpw n ASP 162 N 4.35 0.00 -4.39 1.61 9.92 -1.26 -4.55 116.55 122.23 3cpw n ASP 162 Ca 0.00 0.00 -0.28 0.00 -0.53 0.00 0.00 54.79 53.98 3cpw n ASP 162 Cb 0.00 0.00 -0.13 0.00 -0.64 0.00 0.00 41.12 40.35 3cpw n ASP 162 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 3cpw s PHE 163 N 0.00 2.27 0.15 1.24 -0.00 -1.26 -5.08 117.98 115.29 3cpw s PHE 163 Ca 0.00 -0.38 0.00 0.00 -0.00 0.00 0.00 56.93 56.55 3cpw s PHE 163 Cb 0.00 -1.19 0.00 0.00 -0.00 0.00 0.00 43.02 41.83 3cpw s PHE 163 CO 0.00 0.38 0.00 -0.40 -0.00 0.00 0.00 175.22 175.20 3cpw n ASP 164 N 0.72 -2.90 -0.04 1.98 5.68 -1.26 -4.73 116.55 116.00 3cpw n ASP 164 Ca -0.16 0.30 -0.07 0.00 -0.50 0.00 0.00 54.79 54.35 3cpw n ASP 164 Cb 0.54 -2.34 -0.03 0.00 -1.14 0.00 0.00 41.12 38.15 3cpw n ASP 164 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3cpw n ALA 165 N -2.03 2.30 0.28 2.12 0.00 -1.26 -4.63 120.51 117.30 3cpw n ALA 165 Ca -0.01 -0.31 0.05 0.00 0.00 0.00 0.00 53.44 53.17 3cpw n ALA 165 Cb 0.56 0.38 0.20 0.00 0.00 0.00 0.00 19.45 20.59 3cpw n ALA 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3cpw n ALA 166 N -3.16 2.93 -0.97 0.00 0.00 -1.26 -4.49 120.51 113.57 3cpw n ALA 166 Ca -0.15 -0.89 0.09 0.00 0.00 0.00 0.00 53.44 52.50 3cpw n ALA 166 Cb 0.62 -1.03 -0.03 0.00 0.00 0.00 0.00 19.45 19.00 3cpw n ALA 166 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3cpw n ASP 167 N 0.46 -4.38 -3.60 0.00 8.00 -1.26 -4.78 116.55 110.99 3cpw n ASP 167 Ca 0.14 0.51 -0.20 0.00 0.71 0.00 0.00 54.79 55.95 3cpw n ASP 167 Cb 0.59 -3.09 -0.15 0.00 -0.02 0.00 0.00 41.12 38.45 3cpw n ASP 167 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3cpw s LEU 168 N -5.07 0.04 0.15 0.64 1.43 -1.26 -4.94 118.68 109.67 3cpw s LEU 168 Ca 0.00 -0.11 0.26 0.00 -1.03 0.00 0.00 54.13 53.25 3cpw s LEU 168 Cb 0.00 0.14 0.68 0.00 0.03 0.00 0.00 46.19 47.04 3cpw s LEU 168 CO 0.00 -0.30 1.62 -2.65 0.23 0.00 0.00 176.35 175.25 3cpw n PRO 169 N 5.31 0.24 0.09 1.29 -0.02 -1.26 -3.08 135.00 137.56 3cpw n PRO 169 Ca -0.05 0.14 -0.08 0.00 -2.02 0.00 0.00 63.50 61.49 3cpw n PRO 169 Cb 0.50 -1.73 0.02 0.00 -0.02 0.00 0.00 33.50 32.27 3cpw n PRO 169 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3cpw h GLU 170 N 0.00 0.20 0.00 -0.52 3.07 -1.92 -2.52 114.58 112.89 3cpw h GLU 170 Ca 0.00 -0.20 -0.03 0.00 -0.50 0.00 0.00 59.36 58.63 3cpw h GLU 170 Cb 0.71 0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 28.67 3cpw h GLU 170 CO 0.00 0.91 -0.14 1.25 -1.40 0.00 0.00 179.01 179.63 3cpw h HIS 171 N 0.12 0.00 0.13 4.33 2.76 -1.93 -1.54 115.15 119.02 3cpw h HIS 171 Ca -0.04 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.13 3cpw h HIS 171 Cb 1.43 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.39 3cpw h HIS 171 CO 0.03 0.14 -0.06 0.35 -1.30 0.00 0.00 177.93 177.08 3cpw h PHE 172 N 0.00 -0.16 -0.58 5.26 3.57 -1.56 -2.62 116.94 120.84 3cpw h PHE 172 Ca -0.00 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.54 3cpw h PHE 172 Cb 0.28 0.05 -0.05 0.00 2.79 0.00 0.00 35.95 39.03 3cpw h PHE 172 CO 0.00 0.13 0.32 -0.44 -2.23 0.00 0.00 178.31 176.09 3cpw h ASP 173 N -0.46 0.48 -1.00 0.41 3.32 -1.20 -0.54 116.42 117.43 3cpw h ASP 173 Ca -0.02 0.02 0.08 0.00 0.02 0.00 0.00 57.03 57.14 3cpw h ASP 173 Cb 0.37 -0.07 -0.07 0.00 0.22 0.00 0.00 39.33 39.77 3cpw h ASP 173 CO 0.03 0.32 0.64 -0.33 -1.72 0.00 0.00 179.24 178.19 3cpw h GLU 174 N 0.61 1.09 -0.07 3.56 5.08 -1.28 0.30 114.58 123.87 3cpw h GLU 174 Ca 0.25 -0.07 -0.14 0.00 -1.00 0.00 0.00 59.36 58.40 3cpw h GLU 174 Cb 0.13 -0.24 0.01 0.00 0.50 0.00 0.00 28.75 29.14 3cpw h GLU 174 CO -0.16 0.72 -0.52 1.25 -1.00 0.00 0.00 179.01 179.30 3cpw h LEU 175 N 1.12 0.58 -0.56 1.33 5.85 -0.98 -1.47 115.31 121.18 3cpw h LEU 175 Ca 0.45 -0.68 -0.02 0.00 0.84 0.00 0.00 57.88 58.48 3cpw h LEU 175 Cb 0.27 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 3cpw h LEU 175 CO -0.20 1.17 0.28 -0.09 -0.34 0.00 0.00 178.44 179.26 3cpw h ARG 176 N 0.03 0.79 -0.83 1.25 2.43 -0.79 -0.83 114.38 116.43 3cpw h ARG 176 Ca -0.05 -0.11 0.08 0.00 -0.81 0.00 0.00 59.98 59.09 3cpw h ARG 176 Cb 1.19 -0.15 -0.07 0.00 -0.42 0.00 0.00 29.97 30.53 3cpw h ARG 176 CO 0.11 0.63 0.49 1.49 -1.51 0.00 0.00 179.97 181.18 3cpw h GLU 177 N 0.75 0.83 -0.39 0.20 4.57 -0.42 -2.54 114.58 117.58 3cpw h GLU 177 Ca 0.19 -0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 58.28 3cpw h GLU 177 Cb 0.09 -0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 28.48 3cpw h GLU 177 CO -0.03 0.55 0.07 1.15 -1.18 0.00 0.00 179.01 179.57 3cpw h THR 178 N 0.85 1.24 0.00 0.32 2.02 -0.55 -3.14 112.91 113.65 3cpw h THR 178 Ca 0.38 -0.85 0.00 0.00 0.77 0.00 0.00 66.41 66.71 3cpw h THR 178 Cb 0.27 1.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.73 3cpw h THR 178 CO -0.21 0.29 0.00 -0.07 0.37 0.00 0.00 175.52 175.90 3cpw h LEU 179 N 0.49 0.00 -3.15 2.58 3.38 -0.77 -3.25 115.31 114.59 3cpw h LEU 179 Ca 0.12 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.82 3cpw h LEU 179 Cb 0.36 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.97 3cpw h LEU 179 CO 0.01 0.00 0.34 0.18 0.09 0.00 0.00 178.44 179.06 3cpw n LEU 180 N -3.02 5.50 0.00 1.67 4.77 -1.06 -4.82 117.00 120.04 3cpw n LEU 180 Ca -0.00 -2.82 0.00 0.00 -0.03 0.00 0.00 56.01 53.15 3cpw n LEU 180 Cb 0.22 -0.85 0.00 0.00 -2.33 0.00 0.00 43.42 40.46 3cpw n LEU 180 CO 0.24 0.97 0.00 -0.90 -1.33 0.00 0.00 177.39 176.37 3cpw n ASP 181 N 0.09 0.00 0.00 -1.43 5.75 -1.23 -5.09 116.55 114.63 3cpw n ASP 181 Ca 0.27 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.05 3cpw n ASP 181 Cb 0.81 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.90 3cpw n ASP 181 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3cpw n GLY 182 N 0.00 2.79 1.06 6.12 0.00 -1.26 -5.00 105.19 108.90 3cpw n GLY 182 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.77 3cpw n GLY 182 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3cpw n ASP 183 N 7.72 -0.78 -4.59 1.61 5.75 -1.26 -4.67 116.55 120.33 3cpw n ASP 183 Ca 0.00 0.15 -0.30 0.00 -0.01 0.00 0.00 54.79 54.64 3cpw n ASP 183 Cb 0.00 -1.83 0.20 0.00 -1.03 0.00 0.00 41.12 38.46 3cpw n ASP 183 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 3cpw s ILE 184 N -3.74 2.12 -1.10 2.12 -1.09 -1.26 -3.68 121.20 114.57 3cpw s ILE 184 Ca 0.00 0.04 0.00 0.00 -2.23 0.00 0.00 60.65 58.46 3cpw s ILE 184 Cb 0.00 -2.12 0.00 0.00 -1.58 0.00 0.00 42.46 38.76 3cpw s ILE 184 CO 0.00 -0.05 0.00 -0.62 -1.23 0.00 0.00 174.94 173.04 3cpw n GLU 185 N -4.53 -1.95 0.00 2.79 1.02 -1.26 -5.17 120.64 111.53 3cpw n GLU 185 Ca 0.07 0.62 0.00 0.00 -0.02 0.00 0.00 57.16 57.83 3cpw n GLU 185 Cb 0.53 -5.10 0.00 0.00 -0.02 0.00 0.00 31.44 26.85 3cpw n GLU 185 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59