#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cpw s SER 2 N 0.00 -0.17 -0.25 1.61 0.15 -1.26 -5.14 113.70 108.64 2cpw s SER 2 Ca 0.00 -0.10 -0.02 0.00 0.70 0.00 0.00 55.95 56.52 2cpw s SER 2 Cb 0.00 0.25 0.08 0.00 -1.71 0.00 0.00 66.02 64.65 2cpw s SER 2 CO 0.00 -0.44 0.07 -0.44 1.20 0.00 0.00 173.24 173.63 2cpw s SER 3 N -2.59 3.46 -0.16 5.45 0.01 -1.26 -4.97 113.70 113.64 2cpw s SER 3 Ca 0.10 -1.22 -0.06 0.00 1.31 0.00 0.00 55.95 56.09 2cpw s SER 3 Cb 0.01 -0.67 0.02 0.00 0.21 0.00 0.00 66.02 65.59 2cpw s SER 3 CO -0.04 -0.37 0.11 0.61 0.41 0.00 0.00 173.24 173.96 2cpw n GLY 4 N 5.00 -4.31 2.71 3.44 0.00 -1.26 -5.01 105.19 105.76 2cpw n GLY 4 Ca -0.06 0.81 -0.28 0.00 0.00 0.00 0.00 46.02 46.49 2cpw n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cpw s SER 5 N -0.69 3.52 0.67 1.61 0.01 -1.26 -5.11 113.70 112.45 2cpw s SER 5 Ca -0.13 -3.33 -0.18 0.00 1.31 0.00 0.00 55.95 53.63 2cpw s SER 5 Cb 0.01 -1.14 -0.15 0.00 0.21 0.00 0.00 66.02 64.95 2cpw s SER 5 CO 0.54 -0.15 -0.32 -1.54 0.41 0.00 0.00 173.24 172.17 2cpw n SER 6 N 2.61 -4.35 -3.81 2.44 3.41 -1.26 -4.97 113.62 107.68 2cpw n SER 6 Ca 0.20 0.50 -0.25 0.00 -0.26 0.00 0.00 58.87 59.06 2cpw n SER 6 Cb 0.39 -0.83 -0.17 0.00 -0.26 0.00 0.00 64.21 63.33 2cpw n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2cpw s GLY 7 N -1.02 0.62 0.21 5.00 0.00 -1.26 -4.99 107.32 105.88 2cpw s GLY 7 Ca 0.52 -0.34 0.00 0.00 0.00 0.00 0.00 44.72 44.90 2cpw s GLY 7 CO 0.71 1.05 0.00 0.54 0.00 0.00 0.00 173.10 175.41 2cpw n ARG 8 N 5.06 0.00 -0.08 2.90 1.74 -1.26 -4.99 116.66 120.03 2cpw n ARG 8 Ca -0.09 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.83 2cpw n ARG 8 Cb 0.50 -0.20 -0.05 0.00 -1.02 0.00 0.00 32.46 31.68 2cpw n ARG 8 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2cpw n ASN 9 N -3.45 1.62 -4.76 0.55 2.85 -1.26 -4.98 115.26 105.83 2cpw n ASN 9 Ca 0.00 0.27 -0.40 0.00 -0.11 0.00 0.00 54.58 54.34 2cpw n ASN 9 Cb 0.00 -0.64 -0.04 0.00 1.24 0.00 0.00 39.78 40.34 2cpw n ASN 9 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2cpw s ARG 10 N -2.54 4.63 0.17 1.20 1.70 -1.26 -4.92 118.95 117.93 2cpw s ARG 10 Ca -0.26 1.78 0.00 0.00 -0.47 0.00 0.00 55.73 56.77 2cpw s ARG 10 Cb 0.08 -3.16 0.00 0.00 -0.57 0.00 0.00 34.95 31.30 2cpw s ARG 10 CO 0.36 0.21 0.00 0.94 -1.08 0.00 0.00 175.30 175.72 2cpw n GLN 11 N 1.14 0.00 -4.10 3.89 7.27 -1.26 -4.78 117.38 119.54 2cpw n GLN 11 Ca -0.01 0.00 -0.23 0.00 0.07 0.00 0.00 57.00 56.83 2cpw n GLN 11 Cb 0.45 -0.21 -0.06 0.00 2.41 0.00 0.00 30.24 32.83 2cpw n GLN 11 CO 0.00 0.00 0.00 -1.14 0.07 0.00 0.00 177.06 175.99 2cpw s GLN 12 N -2.00 2.41 0.50 3.69 2.00 -1.26 -5.11 119.66 119.89 2cpw s GLN 12 Ca 0.00 -1.50 -0.21 0.00 -2.00 0.00 0.00 55.36 51.65 2cpw s GLN 12 Cb 0.00 -2.21 -0.07 0.00 0.80 0.00 0.00 33.01 31.53 2cpw s GLN 12 CO 0.00 0.14 1.11 1.03 -0.50 0.00 0.00 175.29 177.08 2cpw s ARG 13 N -3.84 3.61 -1.14 1.67 0.52 -1.26 -4.89 118.95 113.63 2cpw s ARG 13 Ca 0.37 1.59 -0.15 0.00 -0.52 0.00 0.00 55.73 57.02 2cpw s ARG 13 Cb -0.03 -2.16 -0.07 0.00 0.52 0.00 0.00 34.95 33.21 2cpw s ARG 13 CO 0.23 -0.63 2.21 -0.35 0.02 0.00 0.00 175.30 176.77 2cpw n PRO 14 N -0.94 2.35 -4.64 3.54 -0.04 -1.26 -4.85 135.00 129.16 2cpw n PRO 14 Ca 0.10 -2.05 -0.33 0.00 -0.04 0.00 0.00 63.50 61.17 2cpw n PRO 14 Cb 0.50 -2.92 -0.16 0.00 -0.04 0.00 0.00 33.50 30.88 2cpw n PRO 14 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2cpw s GLY 15 N 3.72 1.40 -0.06 0.55 0.00 -1.26 -5.11 107.32 106.56 2cpw s GLY 15 Ca 0.52 -1.07 -0.07 0.00 0.00 0.00 0.00 44.72 44.11 2cpw s GLY 15 CO -0.00 -0.02 0.18 -1.08 0.00 0.00 0.00 173.10 172.18 2cpw s THR 16 N 0.79 0.01 0.21 0.90 -1.32 -1.26 -5.12 115.64 109.84 2cpw s THR 16 Ca -0.07 -0.06 -0.32 0.00 -1.21 0.00 0.00 61.69 60.03 2cpw s THR 16 Cb -0.16 -0.28 -0.13 0.00 -1.51 0.00 0.00 72.50 70.42 2cpw s THR 16 CO -0.01 -0.03 1.58 0.00 -2.21 0.00 0.00 174.62 173.95 2cpw n ILE 17 N 2.84 0.35 -3.01 5.08 0.13 -1.26 -3.34 119.36 120.14 2cpw n ILE 17 Ca -0.13 -0.09 -0.16 0.00 -1.10 0.00 0.00 62.75 61.27 2cpw n ILE 17 Cb 0.58 -1.70 0.02 0.00 -0.84 0.00 0.00 39.64 37.70 2cpw n ILE 17 CO 0.00 0.00 0.00 0.29 2.80 0.00 0.00 176.55 179.64 2cpw n LYS 18 N 3.07 -2.28 0.32 9.51 4.01 -1.26 -4.91 118.16 126.62 2cpw n LYS 18 Ca 0.14 1.96 -0.17 0.00 -0.51 0.00 0.00 58.31 59.73 2cpw n LYS 18 Cb 0.32 -4.77 -0.09 0.00 -0.51 0.00 0.00 35.03 29.98 2cpw n LYS 18 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 2cpw h HIS 19 N 2.03 -1.23 0.00 2.13 3.86 -2.01 -3.49 115.15 116.44 2cpw h HIS 19 Ca -0.14 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.07 2cpw h HIS 19 Cb 1.10 0.46 0.00 0.00 1.06 0.00 0.00 27.41 30.03 2cpw h HIS 19 CO 0.07 -0.63 0.00 0.41 0.86 0.00 0.00 177.93 178.64 2cpw n GLY 20 N -1.53 2.41 3.47 2.45 0.00 -1.26 -5.10 105.19 105.63 2cpw n GLY 20 Ca -0.12 -1.80 -0.13 0.00 0.00 0.00 0.00 46.02 43.97 2cpw n GLY 20 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cpw s SER 21 N 0.00 -0.61 0.33 1.61 0.01 -1.26 -4.98 113.70 108.80 2cpw s SER 21 Ca 0.00 1.16 0.08 0.00 1.31 0.00 0.00 55.95 58.49 2cpw s SER 21 Cb 0.00 1.16 0.93 0.00 0.21 0.00 0.00 66.02 68.32 2cpw s SER 21 CO 0.00 -0.20 1.58 0.00 0.41 0.00 0.00 173.24 175.03 2cpw h ALA 22 N 5.41 1.48 -0.07 1.44 0.00 -1.96 1.32 119.26 126.89 2cpw h ALA 22 Ca -0.28 0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2cpw h ALA 22 Cb 1.17 0.49 -0.00 0.00 0.00 0.00 0.00 17.79 19.46 2cpw h ALA 22 CO 0.15 -0.68 -0.05 1.25 0.00 0.00 0.00 179.25 179.93 2cpw h LEU 23 N 0.02 0.17 -1.34 0.00 5.85 -1.97 -2.43 115.31 115.60 2cpw h LEU 23 Ca 0.67 -0.44 0.13 0.00 0.84 0.00 0.00 57.88 59.08 2cpw h LEU 23 Cb 1.53 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 42.45 2cpw h LEU 23 CO -0.86 0.58 0.55 -0.78 -0.34 0.00 0.00 178.44 177.59 2cpw h ASP 24 N -0.24 0.62 0.83 1.25 1.82 0.70 0.20 116.42 121.60 2cpw h ASP 24 Ca 0.01 0.03 -0.04 0.00 -0.39 0.00 0.00 57.03 56.64 2cpw h ASP 24 Cb 0.52 -0.10 0.01 0.00 0.68 0.00 0.00 39.33 40.44 2cpw h ASP 24 CO 0.01 0.33 -0.40 0.58 -1.61 0.00 0.00 179.24 178.16 2cpw h VAL 25 N 0.67 0.15 -0.96 2.25 2.07 0.14 0.14 116.25 120.71 2cpw h VAL 25 Ca 0.41 -0.05 0.20 0.00 0.82 0.00 0.00 66.70 68.08 2cpw h VAL 25 Cb 0.65 0.16 -0.09 0.00 -1.52 0.00 0.00 31.29 30.50 2cpw h VAL 25 CO -0.17 0.00 0.61 -0.07 0.02 0.00 0.00 177.57 177.96 2cpw h LEU 26 N -1.16 0.59 -0.89 2.57 3.38 -0.84 0.60 115.31 119.56 2cpw h LEU 26 Ca -0.11 0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 2cpw h LEU 26 Cb 0.86 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.54 2cpw h LEU 26 CO 0.19 0.22 0.26 -0.07 0.09 0.00 0.00 178.44 179.12 2cpw h LEU 27 N 0.58 0.99 -1.18 1.67 3.38 -0.46 -1.79 115.31 118.49 2cpw h LEU 27 Ca 0.53 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 58.28 2cpw h LEU 27 Cb 1.06 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 2cpw h LEU 27 CO -0.27 0.90 0.00 -1.28 0.09 0.00 0.00 178.44 177.88 2cpw h SER 28 N 1.04 0.54 0.29 -0.43 0.87 0.22 -1.58 113.55 114.50 2cpw h SER 28 Ca 0.24 -0.10 -0.02 0.00 -1.23 0.00 0.00 61.79 60.67 2cpw h SER 28 Cb 0.24 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 62.06 2cpw h SER 28 CO -0.02 0.61 -0.11 0.24 -0.53 0.00 0.00 176.83 177.02 2cpw h MET 29 N 0.55 0.00 0.00 2.24 2.86 -0.40 -3.45 114.93 116.72 2cpw h MET 29 Ca 0.12 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 2cpw h MET 29 Cb 0.35 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.01 2cpw h MET 29 CO 0.01 0.11 0.00 0.41 1.06 0.00 0.00 176.91 178.50 2cpw n GLY 30 N -0.81 1.97 3.63 8.32 0.00 -0.60 -5.11 105.19 112.59 2cpw n GLY 30 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 2cpw n GLY 30 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2cpw s PHE 31 N -2.00 2.95 0.59 1.61 0.40 -0.87 -5.02 117.98 115.65 2cpw s PHE 31 Ca 0.00 -0.01 -0.15 0.00 -0.60 0.00 0.00 56.93 56.17 2cpw s PHE 31 Cb 0.00 -1.61 -0.04 0.00 0.51 0.00 0.00 43.02 41.88 2cpw s PHE 31 CO 0.00 0.42 1.05 -1.25 0.70 0.00 0.00 175.22 176.13 2cpw s PRO 32 N -1.60 3.35 0.02 0.24 0.04 -1.26 -3.98 135.00 131.81 2cpw s PRO 32 Ca 0.19 1.15 -0.07 0.00 0.04 0.00 0.00 61.00 62.30 2cpw s PRO 32 Cb -0.11 -2.04 -0.03 0.00 0.04 0.00 0.00 34.50 32.36 2cpw s PRO 32 CO 0.10 -0.78 1.12 -0.09 0.04 0.00 0.00 177.00 177.39 2cpw h ARG 33 N 0.37 -0.15 -0.97 4.56 2.43 -1.98 -1.09 114.38 117.56 2cpw h ARG 33 Ca -0.46 0.01 0.17 0.00 -0.81 0.00 0.00 59.98 58.89 2cpw h ARG 33 Cb 1.21 0.03 -0.17 0.00 -0.42 0.00 0.00 29.97 30.63 2cpw h ARG 33 CO 0.58 -0.10 -0.31 0.00 -1.51 0.00 0.00 179.97 178.63 2cpw h ALA 34 N -1.31 0.40 -0.18 2.80 0.00 -1.96 1.48 119.26 120.49 2cpw h ALA 34 Ca 0.00 0.32 0.02 0.00 0.00 0.00 0.00 54.91 55.26 2cpw h ALA 34 Cb 0.16 0.86 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 2cpw h ALA 34 CO -0.07 -0.50 -0.21 0.00 0.00 0.00 0.00 179.25 178.47 2cpw h ARG 35 N -0.01 -0.13 -0.28 0.00 2.47 -1.76 1.45 114.38 116.13 2cpw h ARG 35 Ca 0.40 0.01 0.01 0.00 -1.26 0.00 0.00 59.98 59.15 2cpw h ARG 35 Cb 0.65 0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.98 2cpw h ARG 35 CO -0.98 -0.08 0.15 0.00 0.56 0.00 0.00 179.97 179.61 2cpw h ALA 36 N -0.78 0.34 -0.25 0.04 0.00 0.30 -2.18 119.26 116.72 2cpw h ALA 36 Ca 0.03 0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.99 2cpw h ALA 36 Cb 0.21 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.87 2cpw h ALA 36 CO -0.24 -0.24 -0.49 1.96 0.00 0.00 0.00 179.25 180.25 2cpw h GLN 37 N 0.31 -0.45 -0.27 0.00 1.08 0.30 1.34 115.11 117.41 2cpw h GLN 37 Ca 0.11 0.03 0.04 0.00 -1.45 0.00 0.00 58.65 57.39 2cpw h GLN 37 Cb 0.02 0.10 -0.07 0.00 -0.05 0.00 0.00 27.48 27.48 2cpw h GLN 37 CO -0.07 -0.30 -0.53 -0.22 -0.95 0.00 0.00 178.83 176.77 2cpw h LYS 38 N -0.47 -0.46 0.31 1.46 1.63 0.22 0.58 116.57 119.84 2cpw h LYS 38 Ca 0.08 0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 59.90 2cpw h LYS 38 Cb 0.63 0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 32.34 2cpw h LYS 38 CO -0.49 -0.31 -0.45 0.00 -3.45 0.00 0.00 179.45 174.75 2cpw h ALA 39 N -0.08 -1.04 -0.71 5.00 0.00 -0.70 -1.24 119.26 120.49 2cpw h ALA 39 Ca 0.06 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 54.90 2cpw h ALA 39 Cb 0.64 0.74 -0.09 0.00 0.00 0.00 0.00 17.79 19.08 2cpw h ALA 39 CO -0.51 -1.10 -0.44 -0.07 0.00 0.00 0.00 179.25 177.12 2cpw h LEU 40 N -0.80 -1.62 -0.57 0.00 3.38 0.24 0.20 115.31 116.15 2cpw h LEU 40 Ca -0.04 0.24 0.05 0.00 0.09 0.00 0.00 57.88 58.23 2cpw h LEU 40 Cb 0.73 0.71 -0.07 0.00 0.09 0.00 0.00 40.66 42.11 2cpw h LEU 40 CO -0.13 -0.19 -0.36 0.00 0.09 0.00 0.00 178.44 177.85 2cpw h ALA 41 N 0.08 -0.38 -0.72 1.53 0.00 0.44 1.35 119.26 121.55 2cpw h ALA 41 Ca 0.11 0.06 0.11 0.00 0.00 0.00 0.00 54.91 55.20 2cpw h ALA 41 Cb 0.33 1.20 -0.13 0.00 0.00 0.00 0.00 17.79 19.19 2cpw h ALA 41 CO -0.68 -0.63 -0.39 0.77 0.00 0.00 0.00 179.25 178.32 2cpw h SER 42 N -0.04 -1.37 -0.54 0.00 0.02 0.24 1.06 113.55 112.92 2cpw h SER 42 Ca 0.09 0.26 -0.31 0.00 -0.84 0.00 0.00 61.79 61.00 2cpw h SER 42 Cb 0.27 0.67 -0.16 0.00 0.14 0.00 0.00 62.40 63.32 2cpw h SER 42 CO -0.55 -0.31 0.39 0.35 -1.14 0.00 0.00 176.83 175.57 2cpw n THR 43 N -5.43 2.40 0.00 -2.27 -2.24 0.60 -4.93 114.28 102.40 2cpw n THR 43 Ca 0.05 -1.26 0.00 0.00 -2.27 0.00 0.00 64.05 60.57 2cpw n THR 43 Cb 0.36 -0.89 0.00 0.00 -2.10 0.00 0.00 70.33 67.70 2cpw n THR 43 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2cpw n GLY 44 N -0.22 0.60 0.00 3.38 0.00 0.43 -3.76 105.19 105.62 2cpw n GLY 44 Ca 0.33 0.67 0.00 0.00 0.00 0.00 0.00 46.02 47.02 2cpw n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cpw n GLY 45 N 0.00 -0.68 0.50 -0.02 0.00 -1.13 -3.49 105.19 100.37 2cpw n GLY 45 Ca 0.00 0.03 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 2cpw n GLY 45 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2cpw n ARG 46 N 0.00 0.32 -4.38 1.61 0.63 -1.25 -5.04 116.66 108.56 2cpw n ARG 46 Ca 0.00 0.13 -0.26 0.00 -0.92 0.00 0.00 57.85 56.80 2cpw n ARG 46 Cb 0.00 -1.05 -0.12 0.00 0.45 0.00 0.00 32.46 31.73 2cpw n ARG 46 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 2cpw s SER 47 N -6.18 3.14 0.11 6.15 0.01 -1.26 -5.01 113.70 110.66 2cpw s SER 47 Ca -0.19 -0.80 0.12 0.00 1.31 0.00 0.00 55.95 56.39 2cpw s SER 47 Cb 0.05 -0.21 -0.14 0.00 0.21 0.00 0.00 66.02 65.93 2cpw s SER 47 CO 0.26 0.11 1.09 -0.37 0.41 0.00 0.00 173.24 174.74 2cpw h VAL 48 N 3.58 1.12 0.72 3.43 -1.51 -1.97 -3.28 116.25 118.34 2cpw h VAL 48 Ca -0.47 -2.75 -0.04 0.00 -1.23 0.00 0.00 66.70 62.21 2cpw h VAL 48 Cb 1.19 2.51 0.01 0.00 -2.13 0.00 0.00 31.29 32.87 2cpw h VAL 48 CO 0.44 0.64 -0.34 1.56 -1.23 0.00 0.00 177.57 178.63 2cpw h GLN 49 N 0.00 -0.93 -0.57 5.19 1.08 -1.99 -1.45 115.11 116.44 2cpw h GLN 49 Ca -0.10 0.06 0.12 0.00 -1.45 0.00 0.00 58.65 57.28 2cpw h GLN 49 Cb 1.71 0.21 -0.10 0.00 -0.05 0.00 0.00 27.48 29.25 2cpw h GLN 49 CO 0.09 -0.60 -0.05 1.15 -0.95 0.00 0.00 178.83 178.46 2cpw h THR 50 N -1.03 0.49 -0.20 -0.54 2.02 -1.99 -0.41 112.91 111.25 2cpw h THR 50 Ca -0.10 -0.02 0.06 0.00 0.77 0.00 0.00 66.41 67.11 2cpw h THR 50 Cb 0.75 0.42 -0.07 0.00 -1.74 0.00 0.00 68.15 67.51 2cpw h THR 50 CO 0.16 0.01 -0.24 0.00 0.37 0.00 0.00 175.52 175.82 2cpw h ALA 51 N 1.54 -0.16 -0.65 6.16 0.00 -1.58 -0.87 119.26 123.69 2cpw h ALA 51 Ca 0.29 0.06 0.11 0.00 0.00 0.00 0.00 54.91 55.37 2cpw h ALA 51 Cb 0.46 0.49 -0.12 0.00 0.00 0.00 0.00 17.79 18.62 2cpw h ALA 51 CO -0.53 -0.68 -0.36 0.00 0.00 0.00 0.00 179.25 177.68 2cpw h ASP 53 N -0.15 -0.17 -0.06 0.00 1.82 -0.41 0.28 116.42 117.74 2cpw h ASP 53 Ca 0.24 0.17 -0.00 0.00 -0.39 0.00 0.00 57.03 57.05 2cpw h ASP 53 Cb 0.56 0.27 -0.00 0.00 0.68 0.00 0.00 39.33 40.84 2cpw h ASP 53 CO -0.73 -0.11 0.02 -0.25 -1.61 0.00 0.00 179.24 176.55 2cpw h TRP 54 N 0.17 0.09 -0.11 0.28 7.01 0.14 0.26 115.95 123.79 2cpw h TRP 54 Ca 0.41 -0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.41 2cpw h TRP 54 Cb 0.72 -0.03 -0.02 0.00 -2.10 0.00 0.00 29.16 27.73 2cpw h TRP 54 CO -0.34 0.26 -0.11 -0.07 -2.79 0.00 0.00 178.44 175.39 2cpw h LEU 55 N -0.11 -0.39 -0.03 0.65 3.38 0.45 -2.16 115.31 117.11 2cpw h LEU 55 Ca 0.02 0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.07 2cpw h LEU 55 Cb 0.21 0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.09 2cpw h LEU 55 CO -0.00 -0.07 -0.19 -0.26 0.09 0.00 0.00 178.44 178.00 2cpw h PHE 56 N -0.06 -0.51 -6.36 1.13 0.04 -0.82 -3.47 116.94 106.89 2cpw h PHE 56 Ca 0.02 0.02 -0.22 0.00 2.80 0.00 0.00 57.97 60.58 2cpw h PHE 56 Cb 0.11 0.23 0.01 0.00 2.20 0.00 0.00 35.95 38.50 2cpw h PHE 56 CO -0.70 -0.27 -1.10 0.45 -0.60 0.00 0.00 178.31 176.08 2cpw n SER 57 N -5.33 -5.77 -0.05 2.17 2.88 0.91 -4.94 113.62 103.49 2cpw n SER 57 Ca -0.04 0.07 -0.03 0.00 -1.33 0.00 0.00 58.87 57.53 2cpw n SER 57 Cb 0.24 -1.54 -0.01 0.00 -0.75 0.00 0.00 64.21 62.15 2cpw n SER 57 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 2cpw n HIS 58 N 0.44 0.55 -4.05 0.66 -0.00 -1.26 -5.02 115.22 106.54 2cpw n HIS 58 Ca -0.05 0.24 -0.13 0.00 0.46 0.00 0.00 57.72 58.24 2cpw n HIS 58 Cb 0.59 -0.57 -0.11 0.00 -0.12 0.00 0.00 29.99 29.78 2cpw n HIS 58 CO 0.00 0.00 0.00 -1.54 0.46 0.00 0.00 176.34 175.26 2cpw s SER 59 N -4.98 0.78 0.00 0.26 1.04 -1.26 -5.14 113.70 104.40 2cpw s SER 59 Ca -0.10 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 55.79 2cpw s SER 59 Cb 0.01 0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.18 2cpw s SER 59 CO 0.15 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.78 2cpw n GLY 60 N 1.51 4.30 0.13 7.32 0.00 -1.26 -5.00 105.19 112.20 2cpw n GLY 60 Ca -0.23 -1.39 -0.04 0.00 0.00 0.00 0.00 46.02 44.36 2cpw n GLY 60 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cpw h PRO 61 N 0.00 -0.26 -2.09 1.61 0.13 -2.02 -3.49 132.00 125.88 2cpw h PRO 61 Ca 0.00 0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 65.14 2cpw h PRO 61 Cb 0.00 0.06 -0.18 0.00 0.13 0.00 0.00 31.00 31.00 2cpw h PRO 61 CO 0.00 -0.17 0.30 -1.54 -0.23 0.00 0.00 178.00 176.36 2cpw s SER 62 N -4.63 -0.56 -0.46 1.44 1.04 -1.26 -5.03 113.70 104.25 2cpw s SER 62 Ca -0.04 0.47 -0.24 0.00 0.48 0.00 0.00 55.95 56.62 2cpw s SER 62 Cb 0.00 0.48 0.03 0.00 0.10 0.00 0.00 66.02 66.64 2cpw s SER 62 CO 0.12 -0.61 0.63 -0.24 0.98 0.00 0.00 173.24 174.12 2cpw n SER 63 N 0.56 -6.89 0.00 7.02 2.88 -1.26 -5.24 113.62 110.68 2cpw n SER 63 Ca -0.16 0.20 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 2cpw n SER 63 Cb 0.59 -3.81 0.00 0.00 -0.75 0.00 0.00 64.21 60.24 2cpw n SER 63 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42