#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cpw n ARG 2 N 0.00 2.03 -2.28 0.00 1.74 -1.26 -4.99 116.66 111.90 3cpw n ARG 2 Ca 0.00 0.73 -0.28 0.00 -0.77 0.00 0.00 57.85 57.52 3cpw n ARG 2 Cb 0.00 -2.53 0.02 0.00 -1.02 0.00 0.00 32.46 28.93 3cpw n ARG 2 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3cpw s SER 3 N -0.57 5.92 0.30 0.55 1.04 -1.26 -4.95 113.70 114.73 3cpw s SER 3 Ca 0.63 1.00 -0.01 0.00 0.48 0.00 0.00 55.95 58.04 3cpw s SER 3 Cb -0.46 -2.08 0.45 0.00 0.10 0.00 0.00 66.02 64.03 3cpw s SER 3 CO 0.56 -0.91 1.93 0.00 0.98 0.00 0.00 173.24 175.81 3cpw h ALA 4 N -0.15 1.37 -0.78 5.32 0.00 -2.02 -2.69 119.26 120.30 3cpw h ALA 4 Ca -0.46 -0.10 0.14 0.00 0.00 0.00 0.00 54.91 54.50 3cpw h ALA 4 Cb 1.22 -0.29 -0.09 0.00 0.00 0.00 0.00 17.79 18.63 3cpw h ALA 4 CO 0.62 0.53 0.35 1.88 0.00 0.00 0.00 179.25 182.63 3cpw h TYR 5 N 1.00 0.61 -0.26 0.00 0.99 -2.01 0.22 116.97 117.53 3cpw h TYR 5 Ca 0.26 0.03 0.07 0.00 2.00 0.00 0.00 58.73 61.10 3cpw h TYR 5 Cb -0.01 -0.15 -0.01 0.00 1.00 0.00 0.00 36.73 37.56 3cpw h TYR 5 CO 0.01 0.12 0.26 0.66 -0.00 0.00 0.00 178.16 179.20 3cpw h SER 6 N 0.52 0.00 0.32 3.88 4.64 -1.86 0.59 113.55 121.64 3cpw h SER 6 Ca 0.43 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.54 3cpw h SER 6 Cb 0.62 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.71 3cpw h SER 6 CO -0.38 0.00 -0.84 1.88 -0.87 0.00 0.00 176.83 176.62 3cpw h TYR 7 N 0.00 0.56 -0.23 4.77 -1.99 -1.07 0.14 116.97 119.15 3cpw h TYR 7 Ca 0.12 -0.28 -0.05 0.00 2.00 0.00 0.00 58.73 60.52 3cpw h TYR 7 Cb 0.64 -0.07 -0.01 0.00 2.00 0.00 0.00 36.73 39.29 3cpw h TYR 7 CO 0.00 1.07 -0.06 0.82 -0.00 0.00 0.00 178.16 179.99 3cpw h ILE 8 N 0.24 1.29 0.42 -2.88 2.04 -0.92 -1.63 117.51 116.07 3cpw h ILE 8 Ca -0.05 -1.06 -0.01 0.00 1.00 0.00 0.00 64.86 64.74 3cpw h ILE 8 Cb 1.45 1.51 -0.03 0.00 -0.74 0.00 0.00 36.82 39.01 3cpw h ILE 8 CO 0.14 0.33 -0.49 -0.09 0.00 0.00 0.00 178.15 178.05 3cpw h ARG 9 N 0.18 -0.89 -0.46 2.37 2.43 -1.10 -1.89 114.38 115.02 3cpw h ARG 9 Ca 0.06 0.06 0.12 0.00 -0.81 0.00 0.00 59.98 59.41 3cpw h ARG 9 Cb 0.52 0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 30.25 3cpw h ARG 9 CO 0.02 -0.60 0.32 0.22 -1.51 0.00 0.00 179.97 178.43 3cpw h ASP 10 N -0.93 0.06 -0.56 -3.80 1.82 -0.71 0.11 116.42 112.42 3cpw h ASP 10 Ca -0.05 0.00 -0.11 0.00 -0.39 0.00 0.00 57.03 56.49 3cpw h ASP 10 Cb 0.83 -0.01 -0.02 0.00 0.68 0.00 0.00 39.33 40.81 3cpw h ASP 10 CO -0.10 0.03 -0.06 0.00 -1.61 0.00 0.00 179.24 177.50 3cpw h ALA 11 N 1.77 0.76 0.00 -0.78 0.00 -0.54 -2.98 119.26 117.50 3cpw h ALA 11 Ca 0.22 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3cpw h ALA 11 Cb 0.78 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3cpw h ALA 11 CO -0.02 0.64 0.00 0.91 0.00 0.00 0.00 179.25 180.79 3cpw n TRP 12 N -4.18 0.00 0.12 0.00 7.02 0.38 -2.74 117.44 118.03 3cpw n TRP 12 Ca 0.02 0.00 -0.02 0.00 -1.02 0.00 0.00 57.50 56.47 3cpw n TRP 12 Cb 0.38 -0.04 0.11 0.00 -2.42 0.00 0.00 31.31 29.33 3cpw n TRP 12 CO 0.00 0.00 0.00 0.87 -2.02 0.00 0.00 177.69 176.54 3cpw h LYS 13 N 0.00 0.00 -2.30 -0.99 1.57 -1.35 -3.33 116.57 110.17 3cpw h LYS 13 Ca 0.00 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.19 3cpw h LYS 13 Cb 0.04 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 31.95 3cpw h LYS 13 CO 0.00 0.70 -0.88 0.09 -0.57 0.00 0.00 179.45 178.79 3cpw n ASN 14 N -3.69 1.19 0.00 0.86 3.02 -1.11 -4.94 115.26 110.59 3cpw n ASN 14 Ca -0.01 -2.84 0.00 0.00 -0.03 0.00 0.00 54.58 51.70 3cpw n ASN 14 Cb 0.69 -0.64 0.00 0.00 -0.61 0.00 0.00 39.78 39.22 3cpw n ASN 14 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 3cpw n PRO 15 N 1.75 0.00 -0.17 3.52 -0.04 -1.25 -1.55 135.00 137.26 3cpw n PRO 15 Ca 0.25 0.42 0.12 0.00 -0.04 0.00 0.00 63.50 64.25 3cpw n PRO 15 Cb 0.46 -1.58 0.20 0.00 -0.04 0.00 0.00 33.50 32.55 3cpw n PRO 15 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3cpw n GLY 16 N -1.42 1.66 3.37 0.55 0.00 -1.26 -3.54 105.19 104.55 3cpw n GLY 16 Ca 0.00 -0.73 -0.24 0.00 0.00 0.00 0.00 46.02 45.05 3cpw n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3cpw s ASP 17 N -1.53 3.00 0.84 1.61 1.01 -0.59 -4.72 116.67 116.29 3cpw s ASP 17 Ca 0.37 -0.86 0.00 0.00 0.71 0.00 0.00 52.55 52.78 3cpw s ASP 17 Cb 0.22 -0.20 0.00 0.00 1.01 0.00 0.00 42.92 43.95 3cpw s ASP 17 CO 0.31 0.04 0.00 0.61 0.21 0.00 0.00 175.17 176.34 3cpw n GLY 18 N 0.31 0.52 0.25 0.21 0.00 -1.26 -3.08 105.19 102.14 3cpw n GLY 18 Ca -0.13 -0.91 0.03 0.00 0.00 0.00 0.00 46.02 45.00 3cpw n GLY 18 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3cpw h GLN 19 N 0.00 0.17 -0.83 1.61 4.20 -1.98 -0.37 115.11 117.91 3cpw h GLN 19 Ca 0.00 -0.01 0.17 0.00 0.06 0.00 0.00 58.65 58.87 3cpw h GLN 19 Cb 0.00 -0.04 -0.11 0.00 0.30 0.00 0.00 27.48 27.63 3cpw h GLN 19 CO 0.00 0.11 0.35 1.25 -0.67 0.00 0.00 178.83 179.87 3cpw h LEU 20 N 0.18 0.32 -0.16 1.46 5.85 -1.89 0.12 115.31 121.19 3cpw h LEU 20 Ca 0.36 0.13 0.05 0.00 0.84 0.00 0.00 57.88 59.26 3cpw h LEU 20 Cb 0.59 0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.67 3cpw h LEU 20 CO -0.52 0.08 -0.23 0.00 -0.34 0.00 0.00 178.44 177.42 3cpw h ALA 21 N 1.62 -0.18 -0.83 1.25 0.00 -0.99 0.27 119.26 120.39 3cpw h ALA 21 Ca 0.48 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.41 3cpw h ALA 21 Cb 0.80 0.47 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 3cpw h ALA 21 CO -0.45 -0.69 0.41 1.49 0.00 0.00 0.00 179.25 180.01 3cpw h GLU 22 N -0.28 1.19 -0.29 0.00 4.81 -0.80 -2.00 114.58 117.22 3cpw h GLU 22 Ca 0.11 -0.16 0.03 0.00 -0.13 0.00 0.00 59.36 59.20 3cpw h GLU 22 Cb 0.45 -0.22 -0.03 0.00 0.63 0.00 0.00 28.75 29.58 3cpw h GLU 22 CO -0.32 0.90 0.12 -0.07 -0.73 0.00 0.00 179.01 178.91 3cpw h LEU 23 N 1.18 0.15 -0.61 1.64 3.38 0.05 -2.01 115.31 119.10 3cpw h LEU 23 Ca 0.29 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.24 3cpw h LEU 23 Cb 0.10 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 3cpw h LEU 23 CO -0.04 0.12 0.21 1.56 0.09 0.00 0.00 178.44 180.38 3cpw h GLN 24 N 0.26 0.93 -0.41 1.13 1.08 -0.73 0.96 115.11 118.33 3cpw h GLN 24 Ca 0.12 -0.19 0.06 0.00 -1.45 0.00 0.00 58.65 57.19 3cpw h GLN 24 Cb 0.07 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.34 3cpw h GLN 24 CO -0.11 0.81 0.28 2.35 -0.95 0.00 0.00 178.83 181.22 3cpw h TRP 25 N 0.86 0.31 0.06 2.96 7.01 -1.04 -0.68 115.95 125.44 3cpw h TRP 25 Ca 0.20 0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.20 3cpw h TRP 25 Cb 0.26 -0.10 0.00 0.00 -2.10 0.00 0.00 29.16 27.21 3cpw h TRP 25 CO 0.02 0.17 -0.03 1.96 -2.79 0.00 0.00 178.44 177.77 3cpw h GLN 26 N 0.31 -0.08 -0.48 2.65 4.20 -0.78 -3.38 115.11 117.57 3cpw h GLN 26 Ca 0.18 0.01 0.09 0.00 0.06 0.00 0.00 58.65 58.99 3cpw h GLN 26 Cb 0.32 0.02 -0.10 0.00 0.30 0.00 0.00 27.48 28.02 3cpw h GLN 26 CO -0.04 -0.05 -0.34 0.00 -0.67 0.00 0.00 178.83 177.73 3cpw h ARG 27 N -0.81 -0.21 -0.54 1.46 3.08 -0.63 -1.65 114.38 115.08 3cpw h ARG 27 Ca -0.01 0.01 0.16 0.00 0.07 0.00 0.00 59.98 60.21 3cpw h ARG 27 Cb 0.06 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 3cpw h ARG 27 CO 0.01 -0.14 0.51 1.96 -1.07 0.00 0.00 179.97 181.25 3cpw h GLN 28 N -0.22 0.00 -0.75 0.04 4.20 -1.33 0.87 115.11 117.92 3cpw h GLN 28 Ca 0.19 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.85 3cpw h GLN 28 Cb 0.54 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.29 3cpw h GLN 28 CO -0.60 0.00 0.26 1.96 -0.67 0.00 0.00 178.83 179.78 3cpw h GLN 29 N 0.00 1.16 0.13 1.46 4.20 -1.47 0.13 115.11 120.73 3cpw h GLN 29 Ca 0.25 -0.24 -0.30 0.00 0.06 0.00 0.00 58.65 58.43 3cpw h GLN 29 Cb 1.28 -0.17 0.03 0.00 0.30 0.00 0.00 27.48 28.92 3cpw h GLN 29 CO -0.00 0.97 -1.25 0.93 -0.67 0.00 0.00 178.83 178.80 3cpw h GLU 30 N 1.11 0.61 -0.75 1.46 5.08 0.57 -3.27 114.58 119.40 3cpw h GLU 30 Ca 0.25 -0.84 0.01 0.00 -1.00 0.00 0.00 59.36 57.77 3cpw h GLU 30 Cb 0.28 0.28 -0.04 0.00 0.50 0.00 0.00 28.75 29.77 3cpw h GLU 30 CO -0.01 1.38 0.49 -1.49 -1.00 0.00 0.00 179.01 178.38 3cpw h TRP 31 N 0.24 0.94 -0.19 4.33 6.55 -0.58 -1.30 115.95 125.95 3cpw h TRP 31 Ca -0.19 0.02 0.06 0.00 0.95 0.00 0.00 58.89 59.72 3cpw h TRP 31 Cb 1.93 -0.32 -0.01 0.00 -0.86 0.00 0.00 29.16 29.90 3cpw h TRP 31 CO 0.12 0.60 0.22 0.00 -1.05 0.00 0.00 178.44 178.33 3cpw h ARG 32 N 1.01 0.00 -0.07 0.49 3.08 -0.79 0.33 114.38 118.44 3cpw h ARG 32 Ca 0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.32 3cpw h ARG 32 Cb -0.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.94 3cpw h ARG 32 CO -0.06 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 178.93 3cpw n ASN 33 N -3.79 1.92 -4.93 7.04 3.02 -0.51 -4.92 115.26 113.10 3cpw n ASN 33 Ca 0.02 -1.66 -0.20 0.00 -0.03 0.00 0.00 54.58 52.71 3cpw n ASN 33 Cb 0.34 -0.03 0.06 0.00 -0.61 0.00 0.00 39.78 39.53 3cpw n ASN 33 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3cpw s GLU 34 N -1.94 2.33 0.00 3.52 2.02 0.12 -5.11 118.70 119.64 3cpw s GLU 34 Ca 0.35 -1.22 0.00 0.00 0.02 0.00 0.00 54.97 54.12 3cpw s GLU 34 Cb 0.20 -2.56 0.00 0.00 0.10 0.00 0.00 34.13 31.87 3cpw s GLU 34 CO 0.31 -0.83 0.00 0.41 0.02 0.00 0.00 175.26 175.17 3cpw n GLY 35 N -2.32 -1.56 0.08 -1.39 0.00 -1.26 -4.97 105.19 93.77 3cpw n GLY 35 Ca 0.12 -1.50 -0.05 0.00 0.00 0.00 0.00 46.02 44.58 3cpw n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cpw h ALA 36 N -2.00 0.48 -2.54 4.61 0.00 -1.91 -3.43 119.26 114.47 3cpw h ALA 36 Ca 0.00 -0.92 -0.44 0.00 0.00 0.00 0.00 54.91 53.55 3cpw h ALA 36 Cb 0.00 -0.02 -0.37 0.00 0.00 0.00 0.00 17.79 17.39 3cpw h ALA 36 CO 0.00 1.19 -0.71 0.08 0.00 0.00 0.00 179.25 179.80 3cpw s VAL 37 N -2.74 -0.21 -0.28 0.00 1.01 -1.26 -2.60 120.40 114.32 3cpw s VAL 37 Ca 0.00 -0.59 -0.07 0.00 0.00 0.00 0.00 61.98 61.32 3cpw s VAL 37 Cb 0.09 -0.95 -0.01 0.00 0.00 0.00 0.00 36.38 35.51 3cpw s VAL 37 CO 0.81 -0.58 0.08 -1.61 0.00 0.00 0.00 175.10 173.79 3cpw s GLU 38 N 2.22 3.35 0.43 2.72 0.41 -0.46 -4.92 118.70 122.44 3cpw s GLU 38 Ca 0.09 -0.69 -0.25 0.00 -0.41 0.00 0.00 54.97 53.71 3cpw s GLU 38 Cb -0.15 -3.35 -0.08 0.00 -1.78 0.00 0.00 34.13 28.77 3cpw s GLU 38 CO -0.33 -0.33 1.26 0.50 -0.49 0.00 0.00 175.26 175.87 3cpw s ARG 39 N 1.55 3.83 0.05 1.61 3.52 -1.26 -0.58 118.95 127.67 3cpw s ARG 39 Ca 0.04 2.04 0.05 0.00 -0.13 0.00 0.00 55.73 57.73 3cpw s ARG 39 Cb -0.16 -2.61 -0.02 0.00 -1.56 0.00 0.00 34.95 30.60 3cpw s ARG 39 CO 0.03 -0.57 -0.14 0.96 -0.81 0.00 0.00 175.30 174.77 3cpw s ILE 40 N -1.35 1.11 0.24 4.11 -4.36 -0.04 -4.87 121.20 116.04 3cpw s ILE 40 Ca 0.60 -1.08 -0.03 0.00 -0.26 0.00 0.00 60.65 59.89 3cpw s ILE 40 Cb -0.35 -1.03 0.07 0.00 1.25 0.00 0.00 42.46 42.41 3cpw s ILE 40 CO 0.44 -0.05 1.70 -0.33 0.24 0.00 0.00 174.94 176.94 3cpw h GLU 41 N 4.77 0.75 -4.10 0.37 5.08 -1.96 -3.37 114.58 116.11 3cpw h GLU 41 Ca -0.39 -0.25 -0.25 0.00 -1.00 0.00 0.00 59.36 57.47 3cpw h GLU 41 Cb 1.18 -0.06 -0.25 0.00 0.50 0.00 0.00 28.75 30.12 3cpw h GLU 41 CO 0.43 0.84 -0.73 1.03 -1.00 0.00 0.00 179.01 179.59 3cpw s ARG 42 N -4.77 0.29 0.49 2.33 1.81 -1.26 -4.95 118.95 112.88 3cpw s ARG 42 Ca -0.09 -0.33 -0.24 0.00 -1.72 0.00 0.00 55.73 53.35 3cpw s ARG 42 Cb 0.14 -0.14 -0.07 0.00 -0.45 0.00 0.00 34.95 34.42 3cpw s ARG 42 CO 0.82 0.03 1.41 -2.14 -0.68 0.00 0.00 175.30 174.74 3cpw s PRO 43 N -0.66 3.47 0.33 3.54 0.02 -1.26 -4.92 135.00 135.53 3cpw s PRO 43 Ca -0.05 2.37 0.18 0.00 0.02 0.00 0.00 61.00 63.52 3cpw s PRO 43 Cb -0.05 -2.51 0.31 0.00 0.02 0.00 0.00 34.50 32.27 3cpw s PRO 43 CO -0.00 -0.97 1.56 1.15 -0.33 0.00 0.00 177.00 178.41 3cpw h THR 44 N 1.99 0.75 -2.96 0.99 2.02 -2.00 -3.37 112.91 110.33 3cpw h THR 44 Ca -0.51 -1.86 -0.62 0.00 0.77 0.00 0.00 66.41 64.19 3cpw h THR 44 Cb 1.28 2.22 -0.41 0.00 -1.74 0.00 0.00 68.15 69.50 3cpw h THR 44 CO 0.60 0.40 -0.68 -0.13 0.37 0.00 0.00 175.52 176.07 3cpw s ARG 45 N -3.17 1.94 0.24 6.66 0.52 -1.26 -4.99 118.95 118.89 3cpw s ARG 45 Ca 0.03 -2.84 -0.05 0.00 -0.52 0.00 0.00 55.73 52.36 3cpw s ARG 45 Cb 0.08 -2.86 0.38 0.00 0.52 0.00 0.00 34.95 33.07 3cpw s ARG 45 CO 0.71 -1.27 1.82 1.25 0.02 0.00 0.00 175.30 177.83 3cpw h LEU 46 N 5.75 0.69 -0.52 2.53 6.46 -1.98 -0.85 115.31 127.38 3cpw h LEU 46 Ca 0.12 0.04 0.02 0.00 -0.12 0.00 0.00 57.88 57.95 3cpw h LEU 46 Cb 0.82 -0.09 -0.03 0.00 -0.73 0.00 0.00 40.66 40.63 3cpw h LEU 46 CO 0.61 0.40 0.31 -2.24 -0.62 0.00 0.00 178.44 176.91 3cpw h ASP 47 N 0.81 0.51 -0.20 1.25 2.03 -1.94 -1.22 116.42 117.66 3cpw h ASP 47 Ca 0.39 0.00 -0.04 0.00 -0.73 0.00 0.00 57.03 56.66 3cpw h ASP 47 Cb 0.33 -0.10 -0.01 0.00 -0.83 0.00 0.00 39.33 38.72 3cpw h ASP 47 CO -0.23 0.36 -0.02 0.50 -1.03 0.00 0.00 179.24 178.82 3cpw h LYS 48 N 0.63 0.36 0.37 4.15 1.63 -1.79 -1.06 116.57 120.86 3cpw h LYS 48 Ca 0.21 -0.13 -0.00 0.00 -0.85 0.00 0.00 60.65 59.88 3cpw h LYS 48 Cb 0.02 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 31.60 3cpw h LYS 48 CO -0.09 0.59 -0.33 0.00 -3.45 0.00 0.00 179.45 176.16 3cpw h ALA 49 N 0.76 -0.73 -0.82 5.00 0.00 -0.96 0.84 119.26 123.36 3cpw h ALA 49 Ca 0.05 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.89 3cpw h ALA 49 Cb 0.44 0.46 -0.05 0.00 0.00 0.00 0.00 17.79 18.64 3cpw h ALA 49 CO 0.01 -0.94 0.54 0.00 0.00 0.00 0.00 179.25 178.86 3cpw h ARG 50 N -0.71 0.93 -0.28 0.00 3.08 -1.27 0.11 114.38 116.25 3cpw h ARG 50 Ca -0.03 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 59.94 3cpw h ARG 50 Cb 0.63 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.46 3cpw h ARG 50 CO -0.04 0.62 0.04 1.03 -1.07 0.00 0.00 179.97 180.55 3cpw h SER 51 N 0.96 0.37 0.30 7.04 0.87 -0.52 -2.00 113.55 120.57 3cpw h SER 51 Ca 0.34 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.85 3cpw h SER 51 Cb 0.12 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 61.99 3cpw h SER 51 CO -0.11 0.40 -0.27 0.00 -0.53 0.00 0.00 176.83 176.32 3cpw n GLN 52 N -4.36 0.69 0.00 2.24 6.02 0.23 -4.91 117.38 117.29 3cpw n GLN 52 Ca 0.01 -0.39 0.00 0.00 -0.01 0.00 0.00 57.00 56.61 3cpw n GLN 52 Cb 0.18 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 29.95 3cpw n GLN 52 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3cpw n GLY 53 N 1.36 0.80 3.73 1.08 0.00 -0.57 -4.84 105.19 106.74 3cpw n GLY 53 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 3cpw n GLY 53 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3cpw n TYR 54 N 0.00 1.93 -3.73 1.61 9.36 -0.07 -4.94 117.16 121.32 3cpw n TYR 54 Ca 0.00 0.42 -0.13 0.00 3.32 0.00 0.00 57.90 61.51 3cpw n TYR 54 Cb 0.00 -2.27 -0.10 0.00 -0.63 0.00 0.00 39.34 36.34 3cpw n TYR 54 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 3cpw s LYS 55 N -3.32 0.45 -1.14 2.98 1.02 -1.26 -4.40 119.74 114.07 3cpw s LYS 55 Ca 0.82 0.59 -0.21 0.00 0.02 0.00 0.00 55.97 57.18 3cpw s LYS 55 Cb -0.38 0.18 0.01 0.00 -0.52 0.00 0.00 37.83 37.12 3cpw s LYS 55 CO 0.41 -0.07 1.75 0.00 -0.92 0.00 0.00 175.35 176.52 3cpw s ALA 56 N 0.41 2.52 0.15 5.17 0.00 -1.26 -4.80 121.76 123.96 3cpw s ALA 56 Ca -0.02 -2.34 -0.12 0.00 0.00 0.00 0.00 51.96 49.49 3cpw s ALA 56 Cb -0.04 -4.61 0.01 0.00 0.00 0.00 0.00 23.12 18.48 3cpw s ALA 56 CO -0.02 -4.11 0.33 0.21 0.00 0.00 0.00 175.76 172.18 3cpw s LYS 57 N 5.43 1.14 0.24 0.00 2.20 -1.26 -5.12 119.74 122.36 3cpw s LYS 57 Ca 0.58 -1.01 -0.30 0.00 -0.36 0.00 0.00 55.97 54.88 3cpw s LYS 57 Cb 0.00 0.41 -0.09 0.00 -1.51 0.00 0.00 37.83 36.64 3cpw s LYS 57 CO 0.04 -0.43 1.24 -0.65 -0.36 0.00 0.00 175.35 175.18 3cpw s GLN 58 N -3.91 4.46 0.00 4.03 -0.21 -1.26 -2.74 119.66 120.03 3cpw s GLN 58 Ca 0.12 1.99 0.00 0.00 0.02 0.00 0.00 55.36 57.48 3cpw s GLN 58 Cb 0.02 -3.18 0.00 0.00 1.00 0.00 0.00 33.01 30.85 3cpw s GLN 58 CO -0.04 -0.10 0.00 0.41 -2.12 0.00 0.00 175.29 173.44 3cpw n GLY 59 N 1.77 0.26 3.51 3.09 0.00 -1.26 -4.46 105.19 108.10 3cpw n GLY 59 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 3cpw n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cpw s VAL 60 N -2.08 4.81 0.08 1.61 1.01 -1.11 -0.46 120.40 124.27 3cpw s VAL 60 Ca 0.00 -0.03 0.09 0.00 0.00 0.00 0.00 61.98 62.05 3cpw s VAL 60 Cb 0.00 -3.29 -0.03 0.00 0.00 0.00 0.00 36.38 33.06 3cpw s VAL 60 CO 0.00 0.28 -0.25 -0.63 0.00 0.00 0.00 175.10 174.50 3cpw s ILE 61 N 1.68 2.04 -0.05 2.22 1.09 0.80 -4.86 121.20 124.13 3cpw s ILE 61 Ca 0.07 -1.52 0.04 0.00 -1.10 0.00 0.00 60.65 58.13 3cpw s ILE 61 Cb -0.16 -1.79 0.00 0.00 -1.06 0.00 0.00 42.46 39.46 3cpw s ILE 61 CO 0.07 0.17 -0.15 -0.69 -0.10 0.00 0.00 174.94 174.25 3cpw s VAL 62 N -0.95 1.30 -0.01 2.92 1.01 -1.26 0.11 120.40 123.51 3cpw s VAL 62 Ca 0.11 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.48 3cpw s VAL 62 Cb -0.10 -1.13 0.01 0.00 0.00 0.00 0.00 36.38 35.16 3cpw s VAL 62 CO 0.04 0.38 -0.03 0.00 0.00 0.00 0.00 175.10 175.48 3cpw s ALA 63 N 0.20 0.37 -0.14 5.51 0.00 -0.16 -0.86 121.76 126.68 3cpw s ALA 63 Ca -0.07 -0.10 -0.14 0.00 0.00 0.00 0.00 51.96 51.65 3cpw s ALA 63 Cb -0.12 -0.16 -0.05 0.00 0.00 0.00 0.00 23.12 22.79 3cpw s ALA 63 CO 0.02 0.05 0.32 0.50 0.00 0.00 0.00 175.76 176.65 3cpw s ARG 64 N 0.21 4.20 -0.05 0.00 3.52 0.25 -0.36 118.95 126.73 3cpw s ARG 64 Ca -0.02 0.16 0.04 0.00 -0.13 0.00 0.00 55.73 55.78 3cpw s ARG 64 Cb -0.05 -3.40 -0.00 0.00 -1.56 0.00 0.00 34.95 29.94 3cpw s ARG 64 CO -0.00 0.29 -0.17 0.08 -0.81 0.00 0.00 175.30 174.68 3cpw s VAL 65 N 0.30 1.44 0.07 7.11 1.01 -0.01 -1.36 120.40 128.95 3cpw s VAL 65 Ca 0.18 -0.72 0.04 0.00 0.00 0.00 0.00 61.98 61.49 3cpw s VAL 65 Cb -0.13 -1.24 -0.04 0.00 0.00 0.00 0.00 36.38 34.97 3cpw s VAL 65 CO 0.05 0.42 -0.03 -0.94 0.00 0.00 0.00 175.10 174.60 3cpw s SER 66 N 0.06 4.88 -0.02 3.32 1.04 -1.07 -1.46 113.70 120.45 3cpw s SER 66 Ca -0.04 -0.18 -0.02 0.00 0.48 0.00 0.00 55.95 56.18 3cpw s SER 66 Cb -0.12 -1.14 0.01 0.00 0.10 0.00 0.00 66.02 64.87 3cpw s SER 66 CO 0.02 0.21 0.06 -0.69 0.98 0.00 0.00 173.24 173.82 3cpw s VAL 67 N -1.22 0.00 0.46 5.02 1.01 -0.28 -4.92 120.40 120.47 3cpw s VAL 67 Ca 0.23 -0.02 -0.25 0.00 0.00 0.00 0.00 61.98 61.94 3cpw s VAL 67 Cb -0.11 -0.10 -0.08 0.00 0.00 0.00 0.00 36.38 36.08 3cpw s VAL 67 CO 0.15 -0.01 1.37 -2.11 0.00 0.00 0.00 175.10 174.50 3cpw n ARG 68 N 3.01 2.08 -2.06 2.72 0.00 -1.26 -0.85 116.66 120.29 3cpw n ARG 68 Ca -0.12 0.74 -0.29 0.00 -0.00 0.00 0.00 57.85 58.18 3cpw n ARG 68 Cb 0.59 -2.55 0.04 0.00 -0.00 0.00 0.00 32.46 30.55 3cpw n ARG 68 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 3cpw s LYS 69 N -2.44 2.81 0.00 2.89 1.02 -0.39 -4.75 119.74 118.88 3cpw s LYS 69 Ca 0.63 0.27 0.00 0.00 0.02 0.00 0.00 55.97 56.89 3cpw s LYS 69 Cb -0.46 -2.10 0.00 0.00 -0.52 0.00 0.00 37.83 34.75 3cpw s LYS 69 CO 0.56 -0.97 0.00 0.41 -0.92 0.00 0.00 175.35 174.44 3cpw n GLY 70 N -2.89 -1.72 0.00 -3.33 0.00 -1.26 -4.94 105.19 91.06 3cpw n GLY 70 Ca 0.06 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 43.94 3cpw n GLY 70 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3cpw n SER 71 N 0.00 0.00 -4.77 1.61 3.41 -1.26 -4.99 113.62 107.62 3cpw n SER 71 Ca 0.00 -0.46 -0.39 0.00 -0.26 0.00 0.00 58.87 57.76 3cpw n SER 71 Cb 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 3cpw n SER 71 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3cpw s ALA 72 N -3.87 3.26 -1.14 7.33 0.00 -1.03 -4.90 121.76 121.40 3cpw s ALA 72 Ca 0.00 1.03 -0.10 0.00 0.00 0.00 0.00 51.96 52.89 3cpw s ALA 72 Cb 0.00 -3.40 0.26 0.00 0.00 0.00 0.00 23.12 19.98 3cpw s ALA 72 CO 0.00 -0.52 1.20 0.54 0.00 0.00 0.00 175.76 176.98 3cpw n ARG 73 N 0.36 3.53 -3.97 0.00 3.00 -1.26 -4.95 116.66 113.38 3cpw n ARG 73 Ca 0.03 -4.33 -0.36 0.00 -0.01 0.00 0.00 57.85 53.17 3cpw n ARG 73 Cb 0.45 -2.65 -0.06 0.00 0.00 0.00 0.00 32.46 30.20 3cpw n ARG 73 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 3cpw s LYS 74 N -0.74 3.35 -0.01 5.56 2.47 -1.26 -5.10 119.74 124.01 3cpw s LYS 74 Ca 0.33 -0.21 -0.20 0.00 -1.56 0.00 0.00 55.97 54.34 3cpw s LYS 74 Cb -0.08 -3.11 -0.05 0.00 -1.46 0.00 0.00 37.83 33.13 3cpw s LYS 74 CO -0.06 0.75 0.58 1.03 0.16 0.00 0.00 175.35 177.81 3cpw s ARG 75 N -1.13 4.29 0.33 4.03 0.52 -1.26 -4.98 118.95 120.75 3cpw s ARG 75 Ca 0.16 0.70 -0.29 0.00 -0.52 0.00 0.00 55.73 55.79 3cpw s ARG 75 Cb -0.12 -3.34 -0.10 0.00 0.52 0.00 0.00 34.95 31.91 3cpw s ARG 75 CO 0.06 0.38 1.31 0.50 0.02 0.00 0.00 175.30 177.57 3cpw s ARG 76 N -0.22 4.35 0.19 3.54 3.52 -1.26 -4.94 118.95 124.13 3cpw s ARG 76 Ca 0.30 2.22 -0.32 0.00 -0.13 0.00 0.00 55.73 57.80 3cpw s ARG 76 Cb -0.18 -3.07 -0.15 0.00 -1.56 0.00 0.00 34.95 29.98 3cpw s ARG 76 CO 0.17 -0.20 1.14 -2.39 -0.81 0.00 0.00 175.30 173.20 3cpw n HIS 77 N 0.91 1.28 0.66 5.12 1.44 -1.26 -4.91 115.22 118.46 3cpw n HIS 77 Ca 0.00 0.68 0.09 0.00 -2.01 0.00 0.00 57.72 56.49 3cpw n HIS 77 Cb 0.42 -2.27 -0.12 0.00 0.12 0.00 0.00 29.99 28.14 3cpw n HIS 77 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3cpw n LYS 78 N 1.63 0.75 -4.60 -1.40 5.02 -1.26 -4.98 118.16 113.32 3cpw n LYS 78 Ca 0.14 -0.04 -0.32 0.00 -2.02 0.00 0.00 58.31 56.07 3cpw n LYS 78 Cb 0.25 -1.40 -0.06 0.00 -0.02 0.00 0.00 35.03 33.80 3cpw n LYS 78 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3cpw s ALA 79 N -2.91 4.18 0.36 7.82 0.00 -1.26 -5.10 121.76 124.85 3cpw s ALA 79 Ca 0.04 -0.54 -0.28 0.00 0.00 0.00 0.00 51.96 51.18 3cpw s ALA 79 Cb 0.14 -0.11 -0.11 0.00 0.00 0.00 0.00 23.12 23.03 3cpw s ALA 79 CO 0.78 -0.10 1.50 0.20 0.00 0.00 0.00 175.76 178.14 3cpw s GLY 80 N -3.95 2.80 -0.04 0.00 0.00 -1.26 -5.03 107.32 99.84 3cpw s GLY 80 Ca 0.11 1.57 -0.10 0.00 0.00 0.00 0.00 44.72 46.30 3cpw s GLY 80 CO 0.06 2.30 0.23 0.50 0.00 0.00 0.00 173.10 176.19 3cpw s ARG 81 N -1.81 0.46 0.34 2.90 3.00 -1.26 -5.13 118.95 117.45 3cpw s ARG 81 Ca 0.54 -0.05 -0.21 0.00 0.00 0.00 0.00 55.73 56.01 3cpw s ARG 81 Cb -0.47 0.20 -0.10 0.00 0.00 0.00 0.00 34.95 34.59 3cpw s ARG 81 CO 0.60 -0.10 0.87 -0.98 0.00 0.00 0.00 175.30 175.69 3cpw s ARG 82 N -0.78 4.28 0.23 3.54 1.70 -1.26 -4.85 118.95 121.81 3cpw s ARG 82 Ca -0.09 1.04 0.13 0.00 -0.47 0.00 0.00 55.73 56.34 3cpw s ARG 82 Cb -0.05 -2.52 0.83 0.00 -0.57 0.00 0.00 34.95 32.65 3cpw s ARG 82 CO 0.02 0.16 0.97 -1.13 -1.08 0.00 0.00 175.30 174.25 3cpw n SER 83 N -0.03 0.22 -0.16 -2.89 3.41 -1.26 0.58 113.62 113.49 3cpw n SER 83 Ca 0.03 1.02 0.04 0.00 -0.26 0.00 0.00 58.87 59.71 3cpw n SER 83 Cb 0.52 -0.50 0.34 0.00 -0.26 0.00 0.00 64.21 64.31 3cpw n SER 83 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 3cpw h LYS 84 N 0.00 0.77 -0.53 4.33 3.11 -2.03 -2.67 116.57 119.55 3cpw h LYS 84 Ca 0.52 -0.05 -0.13 0.00 -2.81 0.00 0.00 60.65 58.19 3cpw h LYS 84 Cb 1.39 -0.17 -0.08 0.00 -1.00 0.00 0.00 32.23 32.36 3cpw h LYS 84 CO -0.48 0.51 0.12 0.54 -2.81 0.00 0.00 179.45 177.34 3cpw n ARG 85 N -4.46 3.33 -0.00 1.90 5.12 0.20 -4.33 116.66 118.42 3cpw n ARG 85 Ca 0.08 -3.05 0.10 0.00 -1.93 0.00 0.00 57.85 53.06 3cpw n ARG 85 Cb 0.14 -2.06 -0.11 0.00 -1.16 0.00 0.00 32.46 29.27 3cpw n ARG 85 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 3cpw n GLN 86 N -0.33 0.09 -1.39 5.56 6.02 -1.00 -4.84 117.38 121.48 3cpw n GLN 86 Ca 0.33 -0.02 -0.36 0.00 -0.01 0.00 0.00 57.00 56.94 3cpw n GLN 86 Cb 1.18 -1.51 0.08 0.00 1.02 0.00 0.00 30.24 31.01 3cpw n GLN 86 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3cpw n GLY 87 N 1.47 -0.69 1.09 1.08 0.00 -1.26 -4.81 105.19 102.08 3cpw n GLY 87 Ca 0.03 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.74 3cpw n GLY 87 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3cpw n VAL 88 N -2.33 0.00 -0.02 1.61 0.31 -1.26 -4.88 118.33 111.76 3cpw n VAL 88 Ca 0.13 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.28 3cpw n VAL 88 Cb 0.49 -0.21 -0.08 0.00 -0.91 0.00 0.00 33.84 33.13 3cpw n VAL 88 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 3cpw h THR 89 N 0.00 1.30 -0.41 2.52 2.02 -1.93 -3.32 112.91 113.09 3cpw h THR 89 Ca 0.00 -1.94 0.00 0.00 0.77 0.00 0.00 66.41 65.24 3cpw h THR 89 Cb 0.00 2.07 0.00 0.00 -1.74 0.00 0.00 68.15 68.48 3cpw h THR 89 CO 0.00 0.61 0.00 0.54 0.37 0.00 0.00 175.52 177.04 3cpw n ARG 90 N -4.02 2.22 -2.73 6.66 1.74 -1.26 -4.88 116.66 114.39 3cpw n ARG 90 Ca -0.08 -1.86 -0.42 0.00 -0.77 0.00 0.00 57.85 54.72 3cpw n ARG 90 Cb 0.71 -1.45 -0.03 0.00 -1.02 0.00 0.00 32.46 30.67 3cpw n ARG 90 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3cpw s ILE 91 N -1.47 4.87 0.17 0.55 1.01 -1.25 -5.01 121.20 120.07 3cpw s ILE 91 Ca 0.36 2.02 0.10 0.00 0.00 0.00 0.00 60.65 63.13 3cpw s ILE 91 Cb 0.20 -4.30 -0.04 0.00 0.01 0.00 0.00 42.46 38.33 3cpw s ILE 91 CO 0.27 0.15 -0.19 0.42 0.00 0.00 0.00 174.94 175.59 3cpw s THR 92 N 1.12 2.64 0.63 2.92 -4.23 -1.26 -2.47 115.64 114.99 3cpw s THR 92 Ca 0.51 -1.84 -0.12 0.00 -1.18 0.00 0.00 61.69 59.05 3cpw s THR 92 Cb -0.20 -2.26 -0.03 0.00 1.34 0.00 0.00 72.50 71.34 3cpw s THR 92 CO 0.26 -0.07 1.04 -0.13 -0.54 0.00 0.00 174.62 175.18 3cpw s ARG 93 N -2.59 3.36 0.01 3.99 1.81 -1.26 -4.86 118.95 119.41 3cpw s ARG 93 Ca 0.21 0.92 0.27 0.00 -1.72 0.00 0.00 55.73 55.41 3cpw s ARG 93 Cb -0.09 -2.05 0.88 0.00 -0.45 0.00 0.00 34.95 33.25 3cpw s ARG 93 CO 0.11 -0.76 1.68 0.54 -0.68 0.00 0.00 175.30 176.19 3cpw n ARG 94 N -2.63 0.02 -3.79 3.54 1.74 -1.26 -4.77 116.66 109.51 3cpw n ARG 94 Ca 0.07 0.01 -0.37 0.00 -0.77 0.00 0.00 57.85 56.80 3cpw n ARG 94 Cb 0.54 -1.52 -0.07 0.00 -1.02 0.00 0.00 32.46 30.39 3cpw n ARG 94 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3cpw s LYS 95 N -3.01 3.72 0.53 5.56 1.02 -1.26 -5.00 119.74 121.29 3cpw s LYS 95 Ca 0.12 -0.09 -0.14 0.00 0.02 0.00 0.00 55.97 55.88 3cpw s LYS 95 Cb 0.18 -3.27 -0.07 0.00 -0.52 0.00 0.00 37.83 34.16 3cpw s LYS 95 CO 0.61 0.62 0.97 0.16 -0.92 0.00 0.00 175.35 176.78 3cpw s ASP 96 N -0.58 6.51 0.36 2.83 -4.77 -1.26 -4.90 116.67 114.86 3cpw s ASP 96 Ca 0.14 1.47 0.13 0.00 -3.30 0.00 0.00 52.55 50.99 3cpw s ASP 96 Cb -0.12 -2.47 0.96 0.00 -1.09 0.00 0.00 42.92 40.19 3cpw s ASP 96 CO 0.03 -0.63 1.78 0.40 0.70 0.00 0.00 175.17 177.45 3cpw h ILE 97 N 0.62 0.61 -0.31 2.11 2.04 -1.97 0.12 117.51 120.73 3cpw h ILE 97 Ca -0.46 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.20 3cpw h ILE 97 Cb 1.19 0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 3cpw h ILE 97 CO 0.62 0.10 0.16 -0.61 0.00 0.00 0.00 178.15 178.41 3cpw h GLN 98 N 0.54 0.43 -0.05 2.37 4.15 -1.99 0.47 115.11 121.02 3cpw h GLN 98 Ca 0.57 -0.04 -0.20 0.00 0.77 0.00 0.00 58.65 59.75 3cpw h GLN 98 Cb 1.21 -0.09 -0.00 0.00 0.21 0.00 0.00 27.48 28.81 3cpw h GLN 98 CO -0.32 0.33 -0.80 -0.09 -1.93 0.00 0.00 178.83 176.02 3cpw h ARG 99 N 0.43 0.40 -0.69 1.69 9.65 -1.13 -1.96 114.38 122.77 3cpw h ARG 99 Ca 0.11 -0.37 -0.07 0.00 -1.10 0.00 0.00 59.98 58.56 3cpw h ARG 99 Cb 0.04 0.09 -0.03 0.00 -1.39 0.00 0.00 29.97 28.68 3cpw h ARG 99 CO -0.02 1.02 0.16 0.28 2.80 0.00 0.00 179.97 184.21 3cpw h VAL 100 N 0.26 1.26 -0.57 0.20 2.07 -0.74 -2.40 116.25 116.33 3cpw h VAL 100 Ca -0.05 -0.98 -0.09 0.00 0.82 0.00 0.00 66.70 66.41 3cpw h VAL 100 Cb 1.40 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 3cpw h VAL 100 CO 0.14 0.37 0.02 0.00 0.02 0.00 0.00 177.57 178.12 3cpw h ALA 101 N 1.07 0.95 -0.68 1.67 0.00 -0.84 -1.95 119.26 119.49 3cpw h ALA 101 Ca 0.22 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 3cpw h ALA 101 Cb 0.39 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3cpw h ALA 101 CO 0.00 0.64 0.30 0.93 0.00 0.00 0.00 179.25 181.12 3cpw h GLU 102 N 0.90 1.01 -0.46 0.00 5.08 -1.02 -1.73 114.58 118.36 3cpw h GLU 102 Ca 0.17 -0.17 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 3cpw h GLU 102 Cb 0.50 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 3cpw h GLU 102 CO 0.02 0.82 0.08 0.93 -1.00 0.00 0.00 179.01 179.87 3cpw h GLU 103 N 0.96 0.76 -0.86 2.33 5.08 -1.16 -0.99 114.58 120.71 3cpw h GLU 103 Ca 0.23 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 3cpw h GLU 103 Cb 0.17 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.29 3cpw h GLU 103 CO -0.02 0.77 0.50 0.00 -1.00 0.00 0.00 179.01 179.25 3cpw h ARG 104 N 0.63 1.18 0.77 2.33 3.08 -1.13 -1.00 114.38 120.23 3cpw h ARG 104 Ca 0.14 -0.12 -0.04 0.00 0.07 0.00 0.00 59.98 60.03 3cpw h ARG 104 Cb 0.37 -0.24 0.01 0.00 0.08 0.00 0.00 29.97 30.19 3cpw h ARG 104 CO 0.01 0.84 -0.37 0.00 -1.07 0.00 0.00 179.97 179.38 3cpw h ALA 105 N 1.35 -1.04 -0.74 0.04 0.00 -0.90 -1.88 119.26 116.10 3cpw h ALA 105 Ca 0.31 -0.23 0.13 0.00 0.00 0.00 0.00 54.91 55.12 3cpw h ALA 105 Cb -0.02 0.40 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 3cpw h ALA 105 CO -0.05 -1.08 0.49 1.03 0.00 0.00 0.00 179.25 179.63 3cpw h SER 106 N -1.04 0.43 -0.62 0.00 0.87 -0.94 0.15 113.55 112.40 3cpw h SER 106 Ca -0.11 0.02 -0.09 0.00 -1.23 0.00 0.00 61.79 60.39 3cpw h SER 106 Cb 0.80 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.67 3cpw h SER 106 CO 0.17 0.23 0.05 0.03 -0.53 0.00 0.00 176.83 176.79 3cpw h ARG 107 N 0.46 1.07 -0.22 2.24 2.47 -0.81 -2.48 114.38 117.11 3cpw h ARG 107 Ca 0.36 -0.31 -0.04 0.00 -1.26 0.00 0.00 59.98 58.72 3cpw h ARG 107 Cb 0.74 -0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 28.93 3cpw h ARG 107 CO -0.12 1.02 -0.06 1.15 0.56 0.00 0.00 179.97 182.52 3cpw h THR 108 N 0.99 1.17 -2.33 2.04 2.02 0.09 -3.23 112.91 113.68 3cpw h THR 108 Ca 0.19 -0.71 -0.66 0.00 0.77 0.00 0.00 66.41 66.00 3cpw h THR 108 Cb 0.50 1.07 -0.37 0.00 -1.74 0.00 0.00 68.15 67.61 3cpw h THR 108 CO 0.02 0.23 -0.10 0.49 0.37 0.00 0.00 175.52 176.53 3cpw n PHE 109 N -4.30 3.49 -0.28 3.16 3.01 -0.82 -4.94 117.46 116.79 3cpw n PHE 109 Ca 0.00 -3.56 0.25 0.00 1.01 0.00 0.00 57.45 55.15 3cpw n PHE 109 Cb 0.24 -0.74 0.47 0.00 -0.01 0.00 0.00 39.48 39.43 3cpw n PHE 109 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 3cpw n PRO 110 N 0.20 -0.05 0.21 -1.08 -0.04 -1.13 -0.14 135.00 132.97 3cpw n PRO 110 Ca 0.34 1.19 0.11 0.00 -0.04 0.00 0.00 63.50 65.10 3cpw n PRO 110 Cb 0.36 -2.10 0.20 0.00 -0.04 0.00 0.00 33.50 31.92 3cpw n PRO 110 CO 0.00 0.00 0.00 -2.95 -0.04 0.00 0.00 175.50 172.51 3cpw h ASN 111 N 0.00 0.00 -3.30 3.54 -1.07 -1.92 -3.46 115.58 109.37 3cpw h ASN 111 Ca 0.69 0.00 -0.48 0.00 0.07 0.00 0.00 56.30 56.58 3cpw h ASN 111 Cb 1.79 0.00 0.03 0.00 -2.07 0.00 0.00 38.32 38.07 3cpw h ASN 111 CO -0.68 0.11 0.03 -0.76 0.07 0.00 0.00 177.43 176.20 3cpw s LEU 112 N -6.28 3.65 -0.00 6.14 1.43 0.81 -4.57 118.68 119.85 3cpw s LEU 112 Ca 0.06 0.70 0.08 0.00 -1.03 0.00 0.00 54.13 53.93 3cpw s LEU 112 Cb 0.06 -3.60 -0.02 0.00 0.03 0.00 0.00 46.19 42.66 3cpw s LEU 112 CO 0.67 -0.62 -0.25 -0.13 0.23 0.00 0.00 176.35 176.25 3cpw s ARG 113 N -4.67 1.95 -0.03 1.70 0.52 -0.57 -4.91 118.95 112.94 3cpw s ARG 113 Ca 0.47 -0.95 -0.30 0.00 -0.52 0.00 0.00 55.73 54.43 3cpw s ARG 113 Cb -0.10 -1.95 -0.04 0.00 0.52 0.00 0.00 34.95 33.38 3cpw s ARG 113 CO 0.42 0.53 1.32 0.08 0.02 0.00 0.00 175.30 177.67 3cpw s VAL 114 N -0.65 3.95 -0.19 3.52 1.01 -1.26 -0.68 120.40 126.10 3cpw s VAL 114 Ca 0.10 1.30 0.02 0.00 0.00 0.00 0.00 61.98 63.40 3cpw s VAL 114 Cb -0.10 -3.84 -0.21 0.00 0.00 0.00 0.00 36.38 32.23 3cpw s VAL 114 CO -0.00 -0.01 0.07 -0.11 0.00 0.00 0.00 175.10 175.05 3cpw n LEU 115 N 5.38 2.31 0.00 3.92 -0.00 0.17 -4.80 117.00 123.97 3cpw n LEU 115 Ca 0.12 0.04 0.00 0.00 -0.00 0.00 0.00 56.01 56.17 3cpw n LEU 115 Cb 0.45 -0.70 0.00 0.00 -0.00 0.00 0.00 43.42 43.17 3cpw n LEU 115 CO 0.57 0.81 0.00 -3.20 -0.00 0.00 0.00 177.39 175.57 3cpw n ASN 116 N -3.25 0.00 -3.79 1.96 2.85 -1.19 -4.78 115.26 107.07 3cpw n ASN 116 Ca -0.37 0.00 -0.10 0.00 -0.11 0.00 0.00 54.58 54.00 3cpw n ASN 116 Cb 1.04 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 42.01 3cpw n ASN 116 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 3cpw s SER 117 N 0.00 -0.18 0.09 1.20 1.04 -1.26 -0.94 113.70 113.64 3cpw s SER 117 Ca 0.00 -0.58 -0.16 0.00 0.48 0.00 0.00 55.95 55.69 3cpw s SER 117 Cb 0.00 0.54 0.03 0.00 0.10 0.00 0.00 66.02 66.69 3cpw s SER 117 CO 0.00 -1.01 0.38 -0.72 0.98 0.00 0.00 173.24 172.87 3cpw s TYR 118 N -3.90 -0.19 0.32 5.02 -0.85 -0.81 -4.99 117.35 111.95 3cpw s TYR 118 Ca 0.11 -0.02 -0.27 0.00 -0.52 0.00 0.00 57.07 56.37 3cpw s TYR 118 Cb 0.00 0.21 -0.10 0.00 0.38 0.00 0.00 41.96 42.46 3cpw s TYR 118 CO -0.02 -0.63 0.99 0.45 -1.52 0.00 0.00 175.55 174.81 3cpw s SER 119 N -2.48 7.25 -0.11 -0.18 0.15 -1.26 -1.34 113.70 115.73 3cpw s SER 119 Ca -0.00 1.96 0.17 0.00 0.70 0.00 0.00 55.95 58.77 3cpw s SER 119 Cb 0.01 -2.59 0.40 0.00 -1.71 0.00 0.00 66.02 62.13 3cpw s SER 119 CO -0.08 -0.13 1.19 1.33 1.20 0.00 0.00 173.24 176.74 3cpw n VAL 120 N 0.65 1.17 0.00 4.45 0.24 -0.87 -4.88 118.33 119.10 3cpw n VAL 120 Ca 0.02 -2.12 0.00 0.00 -2.04 0.00 0.00 64.34 60.19 3cpw n VAL 120 Cb 0.49 0.31 0.00 0.00 -1.47 0.00 0.00 33.84 33.17 3cpw n VAL 120 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3cpw n GLY 121 N -0.40 -0.88 3.58 7.63 0.00 -1.25 -4.84 105.19 109.03 3cpw n GLY 121 Ca 0.13 -2.16 -0.05 0.00 0.00 0.00 0.00 46.02 43.93 3cpw n GLY 121 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3cpw s GLN 122 N 0.00 0.38 0.00 1.61 -2.07 -1.26 -1.61 119.66 116.70 3cpw s GLN 122 Ca 0.00 -0.14 0.00 0.00 -1.82 0.00 0.00 55.36 53.40 3cpw s GLN 122 Cb 0.00 0.17 0.00 0.00 -1.09 0.00 0.00 33.01 32.09 3cpw s GLN 122 CO 0.00 -0.16 0.00 -0.40 -1.32 0.00 0.00 175.29 173.41 3cpw n ASP 123 N -0.10 0.41 0.21 12.60 5.68 -0.71 -5.00 116.55 129.64 3cpw n ASP 123 Ca -0.01 0.00 0.11 0.00 -0.50 0.00 0.00 54.79 54.39 3cpw n ASP 123 Cb 0.59 0.00 0.21 0.00 -1.14 0.00 0.00 41.12 40.78 3cpw n ASP 123 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 3cpw h GLY 124 N 0.00 0.00 -0.25 6.12 0.00 -2.04 -3.36 103.07 103.54 3cpw h GLY 124 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3cpw h GLY 124 CO 0.00 0.00 -0.03 -0.96 0.00 0.00 0.00 176.54 175.55 3cpw n ARG 125 N -3.13 0.69 -3.83 4.80 1.85 -1.26 -4.91 116.66 110.86 3cpw n ARG 125 Ca 0.03 -0.59 -0.08 0.00 -1.00 0.00 0.00 57.85 56.20 3cpw n ARG 125 Cb 0.54 -1.00 -0.03 0.00 -1.05 0.00 0.00 32.46 30.92 3cpw n ARG 125 CO 0.00 0.00 0.00 1.14 -0.01 0.00 0.00 177.63 178.76 3cpw s GLN 126 N -0.50 1.61 0.02 2.89 -2.07 -1.26 -1.26 119.66 119.09 3cpw s GLN 126 Ca 0.04 -0.98 0.05 0.00 -1.82 0.00 0.00 55.36 52.64 3cpw s GLN 126 Cb 0.03 0.56 -0.02 0.00 -1.09 0.00 0.00 33.01 32.49 3cpw s GLN 126 CO 0.06 -0.71 -0.14 0.15 -1.32 0.00 0.00 175.29 173.34 3cpw s LYS 127 N -3.92 1.00 0.02 9.60 1.02 -0.03 -1.74 119.74 125.68 3cpw s LYS 127 Ca 0.12 -0.63 0.05 0.00 0.02 0.00 0.00 55.97 55.53 3cpw s LYS 127 Cb -0.03 -0.99 -0.03 0.00 -0.52 0.00 0.00 37.83 36.26 3cpw s LYS 127 CO 0.04 0.26 -0.10 -1.58 -0.92 0.00 0.00 175.35 173.04 3cpw s TRP 128 N -0.61 2.78 -0.07 3.18 0.51 -0.64 -1.13 118.94 122.97 3cpw s TRP 128 Ca 0.03 -0.11 -0.05 0.00 -2.12 0.00 0.00 56.10 53.85 3cpw s TRP 128 Cb -0.07 -1.55 0.02 0.00 -0.81 0.00 0.00 33.47 31.06 3cpw s TRP 128 CO 0.00 0.34 0.17 -1.01 -0.51 0.00 0.00 176.95 175.95 3cpw s HIS 129 N -0.99 -0.20 -0.13 -1.98 3.76 -0.53 -2.05 115.29 113.17 3cpw s HIS 129 Ca 0.17 0.50 -0.07 0.00 -0.15 0.00 0.00 55.06 55.51 3cpw s HIS 129 Cb -0.11 0.03 -0.04 0.00 1.11 0.00 0.00 32.58 33.57 3cpw s HIS 129 CO 0.07 -0.12 0.11 -1.21 -0.85 0.00 0.00 174.74 172.74 3cpw s GLU 130 N 0.45 3.52 -0.05 1.40 2.02 -0.45 -0.83 118.70 124.75 3cpw s GLU 130 Ca -0.03 -0.21 0.05 0.00 0.02 0.00 0.00 54.97 54.81 3cpw s GLU 130 Cb -0.04 -3.16 -0.02 0.00 0.10 0.00 0.00 34.13 31.01 3cpw s GLU 130 CO -0.02 0.66 -0.21 0.08 0.02 0.00 0.00 175.26 175.78 3cpw s VAL 131 N -0.69 2.42 -0.24 2.63 1.01 0.52 -1.92 120.40 124.12 3cpw s VAL 131 Ca 0.13 -0.95 -0.11 0.00 0.00 0.00 0.00 61.98 61.05 3cpw s VAL 131 Cb -0.12 -1.90 -0.05 0.00 0.00 0.00 0.00 36.38 34.31 3cpw s VAL 131 CO 0.03 0.58 0.16 -0.63 0.00 0.00 0.00 175.10 175.23 3cpw s ILE 132 N -0.42 5.35 0.11 2.22 1.01 -0.11 -0.99 121.20 128.37 3cpw s ILE 132 Ca 0.04 0.18 0.10 0.00 0.00 0.00 0.00 60.65 60.97 3cpw s ILE 132 Cb -0.12 -3.50 -0.04 0.00 0.01 0.00 0.00 42.46 38.81 3cpw s ILE 132 CO 0.01 0.34 -0.24 -0.76 0.00 0.00 0.00 174.94 174.29 3cpw s LEU 133 N 1.13 2.29 -0.02 2.97 1.02 0.29 -0.66 118.68 125.71 3cpw s LEU 133 Ca 0.07 -0.70 0.07 0.00 0.02 0.00 0.00 54.13 53.60 3cpw s LEU 133 Cb -0.14 -1.10 -0.02 0.00 0.02 0.00 0.00 46.19 44.96 3cpw s LEU 133 CO 0.05 0.14 -0.24 -0.63 0.02 0.00 0.00 176.35 175.69 3cpw s ILE 134 N -1.06 1.91 -0.72 -0.59 -1.09 0.15 -0.14 121.20 119.65 3cpw s ILE 134 Ca 0.11 -1.03 -0.20 0.00 -2.23 0.00 0.00 60.65 57.30 3cpw s ILE 134 Cb -0.10 -1.58 0.10 0.00 -1.58 0.00 0.00 42.46 39.30 3cpw s ILE 134 CO 0.05 0.54 0.93 -0.62 -1.23 0.00 0.00 174.94 174.61 3cpw s ASP 135 N -0.56 6.32 0.03 3.58 -1.08 0.40 -1.52 116.67 123.84 3cpw s ASP 135 Ca 0.09 -1.47 0.07 0.00 -0.52 0.00 0.00 52.55 50.72 3cpw s ASP 135 Cb -0.09 -2.37 0.31 0.00 -1.46 0.00 0.00 42.92 39.30 3cpw s ASP 135 CO -0.01 -1.22 1.22 -0.81 0.52 0.00 0.00 175.17 174.87 3cpw n PRO 136 N 6.88 0.02 -0.00 4.34 -0.04 -1.26 -2.27 135.00 142.66 3cpw n PRO 136 Ca 0.03 0.43 0.10 0.00 -0.04 0.00 0.00 63.50 64.02 3cpw n PRO 136 Cb 0.46 -1.54 -0.10 0.00 -0.04 0.00 0.00 33.50 32.27 3cpw n PRO 136 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3cpw n ASN 137 N -1.58 0.93 -4.66 3.54 3.02 -1.26 -4.76 115.26 110.49 3cpw n ASN 137 Ca 0.01 -0.92 -0.42 0.00 -0.03 0.00 0.00 54.58 53.23 3cpw n ASN 137 Cb 0.07 1.00 -0.04 0.00 -0.61 0.00 0.00 39.78 40.20 3cpw n ASN 137 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 3cpw s HIS 138 N -3.02 3.39 0.52 3.10 2.46 -0.96 -4.94 115.29 115.84 3cpw s HIS 138 Ca 0.07 1.30 0.28 0.00 0.47 0.00 0.00 55.06 57.18 3cpw s HIS 138 Cb 0.16 -3.08 1.40 0.00 -0.13 0.00 0.00 32.58 30.93 3cpw s HIS 138 CO 0.86 -0.31 1.91 -1.00 -2.47 0.00 0.00 174.74 173.73 3cpw h PRO 139 N 7.41 0.06 -0.03 2.88 0.13 -1.91 0.33 132.00 140.87 3cpw h PRO 139 Ca -0.26 -0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.87 3cpw h PRO 139 Cb 1.11 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 3cpw h PRO 139 CO 0.87 0.04 0.04 0.00 -0.23 0.00 0.00 178.00 178.72 3cpw h ALA 140 N 1.60 1.54 0.01 -0.56 0.00 -1.92 -1.10 119.26 118.84 3cpw h ALA 140 Ca 0.39 -0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.93 3cpw h ALA 140 Cb 1.47 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.20 3cpw h ALA 140 CO -0.03 -0.06 -2.34 -0.89 0.00 0.00 0.00 179.25 175.93 3cpw n ILE 141 N -3.78 1.49 0.31 0.00 5.41 0.11 -3.91 119.36 118.99 3cpw n ILE 141 Ca -0.02 -0.70 0.19 0.00 1.00 0.00 0.00 62.75 63.22 3cpw n ILE 141 Cb 0.13 -1.08 0.99 0.00 -0.71 0.00 0.00 39.64 38.97 3cpw n ILE 141 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 3cpw h GLN 142 N 0.01 0.00 -0.28 0.38 4.20 -0.66 -1.39 115.11 117.37 3cpw h GLN 142 Ca -0.53 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.18 3cpw h GLN 142 Cb 2.05 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.83 3cpw h GLN 142 CO -0.02 0.02 0.00 0.09 -0.67 0.00 0.00 178.83 178.25 3cpw n ASN 143 N -3.26 3.23 -4.66 1.46 3.02 -0.47 -4.79 115.26 109.79 3cpw n ASN 143 Ca -0.02 -1.96 -0.41 0.00 -0.03 0.00 0.00 54.58 52.17 3cpw n ASN 143 Cb 0.15 -0.17 -0.05 0.00 -0.61 0.00 0.00 39.78 39.10 3cpw n ASN 143 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3cpw s ASP 144 N -1.54 6.79 0.32 6.41 -1.08 -0.53 -4.94 116.67 122.11 3cpw s ASP 144 Ca 0.34 0.97 0.25 0.00 -0.52 0.00 0.00 52.55 53.59 3cpw s ASP 144 Cb 0.21 -2.39 1.11 0.00 -1.46 0.00 0.00 42.92 40.39 3cpw s ASP 144 CO 0.29 -0.33 1.75 0.44 0.52 0.00 0.00 175.17 177.85 3cpw h ASP 145 N 7.43 0.00 0.00 -0.34 3.32 -1.92 -0.04 116.42 124.87 3cpw h ASP 145 Ca -0.30 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.75 3cpw h ASP 145 Cb 1.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.69 3cpw h ASP 145 CO 0.80 0.00 -1.84 0.47 -1.72 0.00 0.00 179.24 176.95 3cpw n ASP 146 N -2.36 0.38 0.00 6.45 8.00 -1.26 -4.69 116.55 123.06 3cpw n ASP 146 Ca 0.01 -0.09 0.00 0.00 0.71 0.00 0.00 54.79 55.42 3cpw n ASP 146 Cb 0.19 1.85 0.00 0.00 -0.02 0.00 0.00 41.12 43.14 3cpw n ASP 146 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3cpw n LEU 147 N -2.14 0.00 0.04 0.64 4.77 -1.11 -4.77 117.00 114.43 3cpw n LEU 147 Ca -0.03 -0.12 0.22 0.00 -0.03 0.00 0.00 56.01 56.04 3cpw n LEU 147 Cb 0.51 0.00 0.71 0.00 -2.33 0.00 0.00 43.42 42.31 3cpw n LEU 147 CO 0.43 0.00 1.19 0.77 -1.33 0.00 0.00 177.39 178.45 3cpw h SER 148 N 0.00 0.00 -0.51 -1.43 4.64 -1.06 -1.19 113.55 114.00 3cpw h SER 148 Ca 0.00 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.40 3cpw h SER 148 Cb 0.00 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 3cpw h SER 148 CO 0.00 0.00 0.34 4.11 -0.87 0.00 0.00 176.83 180.41 3cpw h TRP 149 N 0.00 0.36 0.00 4.77 5.08 -1.86 -0.29 115.95 124.01 3cpw h TRP 149 Ca 0.24 0.01 0.00 0.00 1.08 0.00 0.00 58.89 60.22 3cpw h TRP 149 Cb 1.36 -0.12 0.00 0.00 -3.00 0.00 0.00 29.16 27.40 3cpw h TRP 149 CO 0.00 0.18 0.00 1.51 -1.28 0.00 0.00 178.44 178.85 3cpw n ILE 150 N -4.47 0.00 0.51 0.12 3.06 -0.45 -2.56 119.36 115.56 3cpw n ILE 150 Ca 0.08 0.00 0.12 0.00 -2.50 0.00 0.00 62.75 60.44 3cpw n ILE 150 Cb 0.32 -0.49 0.09 0.00 0.54 0.00 0.00 39.64 40.10 3cpw n ILE 150 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3cpw n ALA 152 N -1.88 1.85 -0.22 0.00 0.00 -1.06 -4.90 120.51 114.30 3cpw n ALA 152 Ca 0.02 0.25 0.02 0.00 0.00 0.00 0.00 53.44 53.73 3cpw n ALA 152 Cb 0.45 -2.36 0.13 0.00 0.00 0.00 0.00 19.45 17.68 3cpw n ALA 152 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3cpw h ASP 153 N 2.25 0.23 0.08 0.00 3.32 -1.92 0.92 116.42 121.29 3cpw h ASP 153 Ca -0.50 0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.64 3cpw h ASP 153 Cb 1.28 0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.90 3cpw h ASP 153 CO 0.61 0.12 0.00 -0.90 -1.72 0.00 0.00 179.24 177.34 3cpw n ASP 154 N -5.01 0.00 -0.85 6.45 5.68 -1.26 -0.81 116.55 120.75 3cpw n ASP 154 Ca 0.11 -0.02 0.12 0.00 -0.50 0.00 0.00 54.79 54.50 3cpw n ASP 154 Cb 0.32 -0.15 0.24 0.00 -1.14 0.00 0.00 41.12 40.39 3cpw n ASP 154 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3cpw n GLN 155 N -1.15 2.16 -1.82 0.11 1.13 0.32 -4.85 117.38 113.28 3cpw n GLN 155 Ca 0.05 -1.70 -0.41 0.00 -1.94 0.00 0.00 57.00 52.99 3cpw n GLN 155 Cb 0.05 -1.47 -0.02 0.00 0.11 0.00 0.00 30.24 28.91 3cpw n GLN 155 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3cpw s ALA 156 N -1.90 3.71 -1.19 -1.58 0.00 0.01 -2.12 121.76 118.69 3cpw s ALA 156 Ca 0.32 1.54 -0.09 0.00 0.00 0.00 0.00 51.96 53.73 3cpw s ALA 156 Cb 0.21 -3.63 0.08 0.00 0.00 0.00 0.00 23.12 19.77 3cpw s ALA 156 CO 0.31 -0.95 0.42 -0.25 0.00 0.00 0.00 175.76 175.28 3cpw n ASP 157 N 2.04 -3.27 -0.19 0.00 8.00 -1.26 -4.82 116.55 117.06 3cpw n ASP 157 Ca 0.07 -0.34 0.16 0.00 0.71 0.00 0.00 54.79 55.39 3cpw n ASP 157 Cb 0.38 -2.74 0.49 0.00 -0.02 0.00 0.00 41.12 39.24 3cpw n ASP 157 CO 0.00 0.00 0.00 0.08 -0.39 0.00 0.00 177.20 176.89 3cpw h ARG 158 N -0.80 0.43 -0.75 -1.24 0.11 -1.75 -1.90 114.38 108.47 3cpw h ARG 158 Ca -0.39 -0.03 -0.04 0.00 0.10 0.00 0.00 59.98 59.63 3cpw h ARG 158 Cb 1.26 -0.10 -0.03 0.00 1.11 0.00 0.00 29.97 32.21 3cpw h ARG 158 CO 0.50 0.28 0.33 -0.24 0.10 0.00 0.00 179.97 180.94 3cpw h VAL 159 N 0.44 1.24 0.00 0.08 3.04 -1.87 -2.06 116.25 117.13 3cpw h VAL 159 Ca 0.40 -0.74 0.00 0.00 -1.01 0.00 0.00 66.70 65.35 3cpw h VAL 159 Cb 0.90 0.32 0.00 0.00 -2.01 0.00 0.00 31.29 30.50 3cpw h VAL 159 CO -0.14 0.30 0.00 0.49 -1.01 0.00 0.00 177.57 177.22 3cpw n PHE 160 N -4.30 0.23 -0.33 3.17 3.01 -0.72 -2.29 117.46 116.24 3cpw n PHE 160 Ca 0.07 0.09 0.06 0.00 1.01 0.00 0.00 57.45 58.68 3cpw n PHE 160 Cb 0.16 -0.65 0.17 0.00 -0.01 0.00 0.00 39.48 39.16 3cpw n PHE 160 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3cpw n ARG 161 N -1.71 2.90 -1.09 -1.08 1.74 -0.94 -4.97 116.66 111.50 3cpw n ARG 161 Ca 0.03 -2.20 -0.03 0.00 -0.77 0.00 0.00 57.85 54.88 3cpw n ARG 161 Cb 0.18 -1.38 -0.01 0.00 -1.02 0.00 0.00 32.46 30.23 3cpw n ARG 161 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3cpw n GLY 162 N 0.34 0.62 0.00 -0.13 0.00 -0.97 -4.93 105.19 100.12 3cpw n GLY 162 Ca 0.13 -0.52 0.13 0.00 0.00 0.00 0.00 46.02 45.76 3cpw n GLY 162 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3cpw n LEU 163 N -0.36 0.00 -4.76 0.99 4.77 -0.82 -3.01 117.00 113.82 3cpw n LEU 163 Ca -0.03 0.29 -0.29 0.00 -0.03 0.00 0.00 56.01 55.94 3cpw n LEU 163 Cb 0.15 -0.29 0.12 0.00 -2.33 0.00 0.00 43.42 41.07 3cpw n LEU 163 CO 0.05 -0.04 0.69 -0.89 -1.33 0.00 0.00 177.39 175.87 3cpw s THR 164 N -2.57 2.60 0.10 -5.08 2.01 -1.26 -4.76 115.64 106.67 3cpw s THR 164 Ca 0.25 0.19 -0.21 0.00 0.31 0.00 0.00 61.69 62.23 3cpw s THR 164 Cb 0.18 -2.84 -0.10 0.00 0.01 0.00 0.00 72.50 69.74 3cpw s THR 164 CO 0.40 -0.25 1.70 1.23 -0.69 0.00 0.00 174.62 177.01 3cpw h GLY 165 N -1.40 0.19 1.86 4.40 0.00 -1.89 0.37 103.07 106.60 3cpw h GLY 165 Ca -0.49 -0.09 -0.08 0.00 0.00 0.00 0.00 47.33 46.67 3cpw h GLY 165 CO 0.58 0.08 -0.32 0.00 0.00 0.00 0.00 176.54 176.89 3cpw h ALA 166 N 0.98 1.31 0.30 3.60 0.00 -1.94 -2.09 119.26 121.42 3cpw h ALA 166 Ca 0.05 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 3cpw h ALA 166 Cb 0.06 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3cpw h ALA 166 CO -0.01 0.48 -0.14 0.78 0.00 0.00 0.00 179.25 180.36 3cpw h GLY 167 N 1.05 -0.42 1.50 0.00 0.00 -1.52 -1.08 103.07 102.61 3cpw h GLY 167 Ca 0.02 0.16 -0.05 0.00 0.00 0.00 0.00 47.33 47.46 3cpw h GLY 167 CO 0.05 -0.15 0.06 3.21 0.00 0.00 0.00 176.54 179.71 3cpw h ARG 168 N -0.49 0.63 -0.21 4.80 3.08 -0.10 -2.19 114.38 119.90 3cpw h ARG 168 Ca -0.04 -0.12 -0.09 0.00 0.07 0.00 0.00 59.98 59.80 3cpw h ARG 168 Cb 0.37 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.32 3cpw h ARG 168 CO 0.07 0.60 -0.20 0.00 -1.07 0.00 0.00 179.97 179.36 3cpw h ARG 169 N 0.61 0.51 0.00 0.04 3.08 -1.29 -2.30 114.38 115.02 3cpw h ARG 169 Ca 0.13 -0.27 0.00 0.00 0.07 0.00 0.00 59.98 59.92 3cpw h ARG 169 Cb 0.29 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.34 3cpw h ARG 169 CO 0.00 0.85 0.00 -0.97 -1.07 0.00 0.00 179.97 178.78 3cpw h ASN 170 N 0.19 0.00 -0.27 7.04 -1.24 -0.93 -0.95 115.58 119.42 3cpw h ASN 170 Ca 0.03 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.04 3cpw h ASN 170 Cb 0.75 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.80 3cpw h ASN 170 CO 0.05 0.00 0.00 0.54 -1.29 0.00 0.00 177.43 176.73 3cpw n ARG 171 N -2.86 1.86 -2.02 6.67 1.74 -0.85 -4.93 116.66 116.28 3cpw n ARG 171 Ca -0.01 -1.32 -0.10 0.00 -0.77 0.00 0.00 57.85 55.66 3cpw n ARG 171 Cb 0.17 -1.37 -0.01 0.00 -1.02 0.00 0.00 32.46 30.23 3cpw n ARG 171 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3cpw n GLY 172 N 1.16 0.18 0.51 -0.13 0.00 -0.36 -4.78 105.19 101.77 3cpw n GLY 172 Ca 0.15 -0.50 0.13 0.00 0.00 0.00 0.00 46.02 45.80 3cpw n GLY 172 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3cpw n LEU 173 N -1.34 1.73 0.12 0.99 4.77 -0.89 -4.47 117.00 117.91 3cpw n LEU 173 Ca -0.11 -0.57 -0.14 0.00 -0.03 0.00 0.00 56.01 55.16 3cpw n LEU 173 Cb 0.54 -0.03 -0.07 0.00 -2.33 0.00 0.00 43.42 41.52 3cpw n LEU 173 CO 0.14 0.30 0.59 0.28 -1.33 0.00 0.00 177.39 177.36 3cpw h SER 174 N 2.53 -1.22 -3.97 -1.43 0.02 -1.83 -3.42 113.55 104.22 3cpw h SER 174 Ca 0.00 0.14 -0.51 0.00 -0.84 0.00 0.00 61.79 60.58 3cpw h SER 174 Cb 0.63 0.46 0.06 0.00 0.14 0.00 0.00 62.40 63.69 3cpw h SER 174 CO 0.00 -0.49 0.51 -0.83 -1.14 0.00 0.00 176.83 174.88 3cpw s GLY 175 N -2.37 2.83 -0.01 -3.77 0.00 -1.26 -4.95 107.32 97.80 3cpw s GLY 175 Ca -0.16 0.99 0.18 0.00 0.00 0.00 0.00 44.72 45.73 3cpw s GLY 175 CO 0.63 1.48 0.67 0.28 0.00 0.00 0.00 173.10 176.17 3cpw n LYS 176 N -0.18 0.83 0.00 2.90 5.02 -1.26 -4.79 118.16 120.68 3cpw n LYS 176 Ca 0.06 -0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 3cpw n LYS 176 Cb 0.47 -1.39 0.00 0.00 -0.02 0.00 0.00 35.03 34.09 3cpw n LYS 176 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3cpw n GLY 177 N 1.43 3.57 3.02 0.72 0.00 -1.26 -4.97 105.19 107.70 3cpw n GLY 177 Ca 0.01 -0.67 -0.44 0.00 0.00 0.00 0.00 46.02 44.93 3cpw n GLY 177 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3cpw n LYS 178 N 0.00 0.00 0.00 1.61 4.81 -1.26 -1.72 118.16 121.60 3cpw n LYS 178 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3cpw n LYS 178 Cb 0.00 -0.93 0.00 0.00 0.02 0.00 0.00 35.03 34.12 3cpw n LYS 178 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3cpw n GLY 179 N 1.72 2.28 1.45 3.14 0.00 -1.26 -4.87 105.19 107.65 3cpw n GLY 179 Ca 0.16 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.08 3cpw n GLY 179 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3cpw n SER 180 N 0.00 2.99 -0.08 1.61 3.41 -0.70 -4.65 113.62 116.21 3cpw n SER 180 Ca 0.00 -3.77 -0.07 0.00 -0.26 0.00 0.00 58.87 54.78 3cpw n SER 180 Cb 0.00 -0.68 0.11 0.00 -0.26 0.00 0.00 64.21 63.39 3cpw n SER 180 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3cpw h GLU 181 N 1.09 0.74 -0.30 4.33 3.07 -1.90 -3.13 114.58 118.49 3cpw h GLU 181 Ca 0.32 -0.28 0.00 0.00 -0.50 0.00 0.00 59.36 58.90 3cpw h GLU 181 Cb 1.84 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 29.71 3cpw h GLU 181 CO 0.59 0.88 0.00 1.63 -1.40 0.00 0.00 179.01 180.70 3cpw n LYS 182 N -4.13 2.14 -0.12 2.33 5.02 -1.26 -4.54 118.16 117.60 3cpw n LYS 182 Ca 0.00 -1.94 -0.17 0.00 -2.02 0.00 0.00 58.31 54.19 3cpw n LYS 182 Cb 0.41 -1.36 -0.11 0.00 -0.02 0.00 0.00 35.03 33.95 3cpw n LYS 182 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3cpw n THR 183 N 0.95 1.40 -3.71 -0.18 -2.24 -1.22 -4.11 114.28 105.16 3cpw n THR 183 Ca 0.14 -0.55 -0.37 0.00 -2.27 0.00 0.00 64.05 61.00 3cpw n THR 183 Cb 0.46 -1.33 -0.06 0.00 -2.10 0.00 0.00 70.33 67.31 3cpw n THR 183 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3cpw s ARG 184 N -2.49 3.64 0.00 -0.78 3.52 -1.18 -1.41 118.95 120.25 3cpw s ARG 184 Ca -0.32 0.07 0.29 0.00 -0.13 0.00 0.00 55.73 55.65 3cpw s ARG 184 Cb 0.08 -3.16 1.33 0.00 -1.56 0.00 0.00 34.95 31.64 3cpw s ARG 184 CO 0.58 0.71 1.90 -0.35 -0.81 0.00 0.00 175.30 177.33 3cpw n PRO 185 N 1.66 1.28 -3.58 5.12 -0.04 -1.26 -4.90 135.00 133.27 3cpw n PRO 185 Ca -0.15 -0.54 -0.09 0.00 -0.04 0.00 0.00 63.50 62.67 3cpw n PRO 185 Cb 0.53 -1.49 -0.05 0.00 -0.04 0.00 0.00 33.50 32.46 3cpw n PRO 185 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3cpw s SER 186 N -2.09 -0.33 0.10 3.54 1.04 -0.50 -5.03 113.70 110.43 3cpw s SER 186 Ca 0.39 0.36 -0.17 0.00 0.48 0.00 0.00 55.95 57.01 3cpw s SER 186 Cb 0.21 0.27 -0.06 0.00 0.10 0.00 0.00 66.02 66.55 3cpw s SER 186 CO 0.37 -0.31 1.56 -0.07 0.98 0.00 0.00 173.24 175.78 3cpw h LEU 187 N 2.50 0.50 0.08 2.42 3.38 -1.77 -3.08 115.31 119.33 3cpw h LEU 187 Ca -0.17 -0.28 0.01 0.00 0.09 0.00 0.00 57.88 57.53 3cpw h LEU 187 Cb 1.17 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 3cpw h LEU 187 CO 0.30 0.66 -0.12 -0.09 0.09 0.00 0.00 178.44 179.28 3cpw h ARG 188 N 0.33 -0.23 -0.06 1.13 2.43 -1.92 0.30 114.38 116.36 3cpw h ARG 188 Ca 0.09 0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.30 3cpw h ARG 188 Cb 0.38 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.98 3cpw h ARG 188 CO 0.01 -0.16 0.14 0.66 -1.51 0.00 0.00 179.97 179.11 3cpw h SER 189 N -0.24 0.00 -0.70 -3.80 4.64 -1.95 0.49 113.55 112.00 3cpw h SER 189 Ca 0.02 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.07 3cpw h SER 189 Cb 0.25 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 62.19 3cpw h SER 189 CO -0.06 0.00 0.34 0.59 -0.87 0.00 0.00 176.83 176.82 3cpw n ASN 190 N -3.40 4.18 -0.96 4.97 3.02 -0.68 -4.88 115.26 117.51 3cpw n ASN 190 Ca -0.01 -3.13 -0.12 0.00 -0.03 0.00 0.00 54.58 51.29 3cpw n ASN 190 Cb 0.22 -0.74 -0.05 0.00 -0.61 0.00 0.00 39.78 38.60 3cpw n ASN 190 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3cpw n GLY 191 N -0.33 1.34 3.48 7.41 0.00 0.16 -3.62 105.19 113.64 3cpw n GLY 191 Ca 0.40 -0.43 -0.22 0.00 0.00 0.00 0.00 46.02 45.77 3cpw n GLY 191 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cpw n GLY 192 N -1.41 -0.90 0.00 -0.02 0.00 0.01 -4.93 105.19 97.94 3cpw n GLY 192 Ca -0.12 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.32 3cpw n GLY 192 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3cpw n LYS 193 N -3.78 -0.28 0.00 1.61 5.02 -1.24 -5.05 118.16 114.44 3cpw n LYS 193 Ca -0.13 -0.63 0.13 0.00 -2.02 0.00 0.00 58.31 55.65 3cpw n LYS 193 Cb 0.62 -0.96 0.74 0.00 -0.02 0.00 0.00 35.03 35.41 3cpw n LYS 193 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29