#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 -0.08 0.25 1.61 0.01 -1.26 -5.19 113.70 109.04 2cpw s SER 2 Ca 0.00 -0.09 -0.17 0.00 1.31 0.00 0.00 55.95 57.00 2cpw s SER 2 Cb 0.00 0.15 0.01 0.00 0.21 0.00 0.00 66.02 66.39 2cpw s SER 2 CO 0.00 -0.26 0.57 -0.55 0.41 0.00 0.00 173.24 173.41 2cpw s SER 3 N -2.71 -0.19 0.00 2.44 0.15 -1.26 -5.15 113.70 106.98 2cpw s SER 3 Ca 0.13 -0.71 0.00 0.00 0.70 0.00 0.00 55.95 56.07 2cpw s SER 3 Cb 0.03 0.64 0.00 0.00 -1.71 0.00 0.00 66.02 64.98 2cpw s SER 3 CO -0.04 -1.19 0.00 0.61 1.20 0.00 0.00 173.24 173.82 2cpw n GLY 4 N -0.40 3.23 3.60 9.45 0.00 -1.26 -5.19 105.19 114.61 2cpw n GLY 4 Ca -0.04 -0.62 0.01 0.00 0.00 0.00 0.00 46.02 45.37 2cpw n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cpw s SER 5 N 0.00 -0.04 0.30 1.61 0.15 -1.26 -5.15 113.70 109.30 2cpw s SER 5 Ca 0.00 -0.06 0.00 0.00 0.70 0.00 0.00 55.95 56.59 2cpw s SER 5 Cb 0.00 0.09 0.00 0.00 -1.71 0.00 0.00 66.02 64.40 2cpw s SER 5 CO 0.00 -0.16 0.00 -1.20 1.20 0.00 0.00 173.24 173.08 2cpw n SER 6 N -0.39 -7.10 0.00 5.45 7.64 -1.26 -5.10 113.62 112.87 2cpw n SER 6 Ca -0.06 0.94 0.00 0.00 1.01 0.00 0.00 58.87 60.76 2cpw n SER 6 Cb 0.62 -3.26 0.00 0.00 -1.01 0.00 0.00 64.21 60.56 2cpw n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cpw n GLY 7 N -0.07 2.68 3.62 0.23 0.00 -1.26 -5.18 105.19 105.22 2cpw n GLY 7 Ca 0.00 -0.26 -0.08 0.00 0.00 0.00 0.00 46.02 45.68 2cpw n GLY 7 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2cpw s ARG 8 N 1.98 0.43 -0.28 1.61 3.52 -1.26 -5.17 118.95 119.77 2cpw s ARG 8 Ca 0.00 0.37 -0.22 0.00 -0.13 0.00 0.00 55.73 55.75 2cpw s ARG 8 Cb 0.00 0.21 0.12 0.00 -1.56 0.00 0.00 34.95 33.72 2cpw s ARG 8 CO 0.00 -0.08 0.97 -0.80 -0.81 0.00 0.00 175.30 174.58 2cpw s ASN 9 N -0.20 -0.52 -0.32 -2.12 -0.87 -1.26 -5.14 114.94 104.52 2cpw s ASN 9 Ca 0.03 0.95 0.06 0.00 -1.57 0.00 0.00 52.86 52.33 2cpw s ASN 9 Cb -0.04 1.03 0.19 0.00 -0.02 0.00 0.00 41.25 42.42 2cpw s ASN 9 CO -0.06 -0.16 0.59 -0.13 -2.57 0.00 0.00 177.10 174.77 2cpw s ARG 10 N 0.57 0.61 -0.30 -0.60 0.52 -1.26 -5.13 118.95 113.36 2cpw s ARG 10 Ca -0.01 0.34 -0.13 0.00 -0.52 0.00 0.00 55.73 55.41 2cpw s ARG 10 Cb -0.05 0.18 0.15 0.00 0.52 0.00 0.00 34.95 35.76 2cpw s ARG 10 CO -0.08 -1.08 0.87 -1.14 0.02 0.00 0.00 175.30 173.89 2cpw s GLN 11 N 2.59 0.39 -0.13 3.54 -0.44 -1.26 -5.16 119.66 119.18 2cpw s GLN 11 Ca 0.11 0.98 -0.11 0.00 -2.50 0.00 0.00 55.36 53.84 2cpw s GLN 11 Cb -0.09 0.59 0.04 0.00 -1.64 0.00 0.00 33.01 31.91 2cpw s GLN 11 CO -0.22 -0.14 0.34 1.14 0.50 0.00 0.00 175.29 176.92 2cpw s GLN 12 N 2.60 0.38 -0.26 1.67 -2.07 -1.26 -5.16 119.66 115.57 2cpw s GLN 12 Ca -0.04 0.51 -0.29 0.00 -1.82 0.00 0.00 55.36 53.73 2cpw s GLN 12 Cb -0.08 0.15 0.18 0.00 -1.09 0.00 0.00 33.01 32.17 2cpw s GLN 12 CO -0.18 -0.07 1.29 1.03 -1.32 0.00 0.00 175.29 176.05 2cpw s ARG 13 N 0.39 0.17 -0.33 9.60 0.52 -1.26 -5.12 118.95 122.91 2cpw s ARG 13 Ca -0.02 0.06 -0.29 0.00 -0.52 0.00 0.00 55.73 54.96 2cpw s ARG 13 Cb -0.04 0.08 0.00 0.00 0.52 0.00 0.00 34.95 35.52 2cpw s ARG 13 CO -0.02 -0.05 1.37 -1.25 0.02 0.00 0.00 175.30 175.37 2cpw s PRO 14 N -0.90 3.79 0.00 3.54 0.04 -1.26 -4.86 135.00 135.34 2cpw s PRO 14 Ca 0.07 1.18 0.00 0.00 0.04 0.00 0.00 61.00 62.28 2cpw s PRO 14 Cb -0.01 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.58 2cpw s PRO 14 CO -0.07 -1.29 0.00 0.41 0.04 0.00 0.00 177.00 176.09 2cpw n GLY 15 N 4.60 2.19 3.10 0.56 0.00 -1.26 -4.37 105.19 110.01 2cpw n GLY 15 Ca 0.16 0.26 -0.23 0.00 0.00 0.00 0.00 46.02 46.21 2cpw n GLY 15 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2cpw s THR 16 N 0.00 1.14 0.08 2.61 -4.23 -1.26 -5.14 115.64 108.83 2cpw s THR 16 Ca 0.00 -0.59 0.03 0.00 -1.18 0.00 0.00 61.69 59.95 2cpw s THR 16 Cb 0.00 -0.96 -0.03 0.00 1.34 0.00 0.00 72.50 72.84 2cpw s THR 16 CO 0.00 0.33 -0.09 -0.51 -0.54 0.00 0.00 174.62 173.81 2cpw s ILE 17 N -0.17 0.79 1.04 2.99 2.07 -1.26 -5.14 121.20 121.52 2cpw s ILE 17 Ca 0.02 -1.49 -0.12 0.00 -1.41 0.00 0.00 60.65 57.66 2cpw s ILE 17 Cb -0.07 -1.15 0.19 0.00 0.13 0.00 0.00 42.46 41.55 2cpw s ILE 17 CO 0.00 -0.53 0.93 2.29 -1.91 0.00 0.00 174.94 175.73 2cpw n LYS 18 N 0.80 -1.32 -1.99 3.50 0.00 -1.26 -4.97 118.16 112.92 2cpw n LYS 18 Ca -0.18 -0.34 -0.32 0.00 -0.00 0.00 0.00 58.31 57.47 2cpw n LYS 18 Cb 0.57 -2.19 0.01 0.00 -0.00 0.00 0.00 35.03 33.42 2cpw n LYS 18 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 2cpw s HIS 19 N -2.49 3.18 0.00 5.58 3.76 -1.26 -4.73 115.29 119.33 2cpw s HIS 19 Ca 0.66 1.46 0.00 0.00 -0.15 0.00 0.00 55.06 57.03 2cpw s HIS 19 Cb -0.23 -2.90 0.00 0.00 1.11 0.00 0.00 32.58 30.56 2cpw s HIS 19 CO 0.62 -0.94 0.00 0.41 -0.85 0.00 0.00 174.74 173.98 2cpw n GLY 20 N -1.52 -0.30 0.12 -2.22 0.00 -1.26 -5.14 105.19 94.87 2cpw n GLY 20 Ca 0.08 0.24 0.01 0.00 0.00 0.00 0.00 46.02 46.35 2cpw n GLY 20 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cpw n SER 21 N 0.00 -0.64 -0.04 1.61 7.64 -1.26 -4.37 113.62 116.56 2cpw n SER 21 Ca 0.00 0.13 -0.08 0.00 1.01 0.00 0.00 58.87 59.93 2cpw n SER 21 Cb 0.00 0.08 -0.07 0.00 -1.01 0.00 0.00 64.21 63.21 2cpw n SER 21 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2cpw h ALA 22 N -0.05 -0.04 -0.88 -0.43 0.00 -1.96 -3.29 119.26 112.60 2cpw h ALA 22 Ca -0.01 -0.25 0.21 0.00 0.00 0.00 0.00 54.91 54.86 2cpw h ALA 22 Cb 0.09 0.02 -0.16 0.00 0.00 0.00 0.00 17.79 17.74 2cpw h ALA 22 CO 0.00 -0.06 -0.04 1.25 0.00 0.00 0.00 179.25 180.40 2cpw h LEU 23 N -0.98 -0.52 -0.91 0.00 5.85 -1.95 1.43 115.31 118.24 2cpw h LEU 23 Ca -0.00 0.25 0.23 0.00 0.84 0.00 0.00 57.88 59.19 2cpw h LEU 23 Cb 0.51 0.45 -0.13 0.00 0.37 0.00 0.00 40.66 41.87 2cpw h LEU 23 CO 0.01 -0.27 0.41 0.44 -0.34 0.00 0.00 178.44 178.68 2cpw h ASP 24 N 0.05 0.35 0.28 1.25 5.19 -1.76 0.16 116.42 121.93 2cpw h ASP 24 Ca 0.49 0.16 0.00 0.00 -0.62 0.00 0.00 57.03 57.06 2cpw h ASP 24 Cb 0.90 0.13 -0.03 0.00 0.18 0.00 0.00 39.33 40.51 2cpw h ASP 24 CO -0.83 -0.01 -0.35 0.58 -3.12 0.00 0.00 179.24 175.52 2cpw h VAL 25 N 0.40 0.28 -0.93 -1.35 2.07 0.19 0.18 116.25 117.10 2cpw h VAL 25 Ca 0.57 0.00 0.15 0.00 0.82 0.00 0.00 66.70 68.24 2cpw h VAL 25 Cb 1.10 0.28 -0.09 0.00 -1.52 0.00 0.00 31.29 31.05 2cpw h VAL 25 CO -0.53 0.00 0.53 -0.07 0.02 0.00 0.00 177.57 177.52 2cpw h LEU 26 N -0.68 0.70 -0.84 2.57 3.38 -0.50 0.30 115.31 120.24 2cpw h LEU 26 Ca -0.01 0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.06 2cpw h LEU 26 Cb 0.64 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.30 2cpw h LEU 26 CO -0.10 0.30 0.56 -0.07 0.09 0.00 0.00 178.44 179.22 2cpw h LEU 27 N 0.76 0.96 -0.96 1.67 3.38 0.26 -1.37 115.31 120.00 2cpw h LEU 27 Ca 0.50 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.40 2cpw h LEU 27 Cb 0.68 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 2cpw h LEU 27 CO -0.34 0.69 0.19 -1.28 0.09 0.00 0.00 178.44 177.78 2cpw h SER 28 N 1.13 0.88 0.07 -0.43 0.87 0.25 -1.60 113.55 114.72 2cpw h SER 28 Ca 0.31 -0.15 -0.01 0.00 -1.23 0.00 0.00 61.79 60.71 2cpw h SER 28 Cb -0.12 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 61.61 2cpw h SER 28 CO -0.07 0.83 -0.03 0.24 -0.53 0.00 0.00 176.83 177.27 2cpw h MET 29 N 0.91 0.00 0.00 2.24 2.86 0.08 -3.45 114.93 117.58 2cpw h MET 29 Ca 0.20 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.84 2cpw h MET 29 Cb 0.27 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.93 2cpw h MET 29 CO -0.01 0.03 0.00 0.41 1.06 0.00 0.00 176.91 178.40 2cpw n GLY 30 N -1.20 1.89 3.76 8.32 0.00 -0.60 -5.10 105.19 112.26 2cpw n GLY 30 Ca -0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.99 2.55 0.30 1.61 0.40 -0.83 -4.97 117.98 115.05 2cpw s PHE 31 Ca 0.00 1.40 -0.28 0.00 -0.60 0.00 0.00 56.93 57.45 2cpw s PHE 31 Cb 0.00 -3.70 -0.09 0.00 0.51 0.00 0.00 43.02 39.74 2cpw s PHE 31 CO 0.00 -2.43 1.07 -1.25 0.70 0.00 0.00 175.22 173.31 2cpw s PRO 32 N -2.67 4.55 0.13 0.24 0.04 -1.26 -3.98 135.00 132.05 2cpw s PRO 32 Ca 0.65 1.71 -0.25 0.00 0.04 0.00 0.00 61.00 63.16 2cpw s PRO 32 Cb -0.38 -3.05 -0.06 0.00 0.04 0.00 0.00 34.50 31.05 2cpw s PRO 32 CO 0.46 0.16 1.38 -2.13 0.04 0.00 0.00 177.00 176.91 2cpw n ARG 33 N 0.93 -0.35 -0.27 4.56 0.63 -1.26 -0.54 116.66 120.35 2cpw n ARG 33 Ca 0.00 1.35 -0.08 0.00 -0.92 0.00 0.00 57.85 58.20 2cpw n ARG 33 Cb 0.46 -1.99 -0.07 0.00 0.45 0.00 0.00 32.46 31.31 2cpw n ARG 33 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2cpw h ALA 34 N 0.26 -0.45 -0.76 5.13 0.00 -1.97 1.51 119.26 122.98 2cpw h ALA 34 Ca 0.13 0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.18 2cpw h ALA 34 Cb 0.33 1.23 -0.09 0.00 0.00 0.00 0.00 17.79 19.26 2cpw h ALA 34 CO -0.75 -0.73 -0.45 -2.13 0.00 0.00 0.00 179.25 175.18 2cpw n ARG 35 N -4.65 -0.33 -0.12 0.00 3.00 0.30 0.17 116.66 115.02 2cpw n ARG 35 Ca 0.01 1.34 -0.06 0.00 -0.00 0.00 0.00 57.85 59.13 2cpw n ARG 35 Cb 0.20 -1.97 0.02 0.00 0.00 0.00 0.00 32.46 30.71 2cpw n ARG 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2cpw h ALA 36 N 0.19 0.48 0.20 5.13 0.00 -0.11 0.12 119.26 125.27 2cpw h ALA 36 Ca 0.12 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.06 2cpw h ALA 36 Cb 0.31 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 2cpw h ALA 36 CO -0.71 -0.18 -0.51 1.96 0.00 0.00 0.00 179.25 179.80 2cpw h GLN 37 N 0.38 -0.77 0.01 0.00 1.08 0.68 1.31 115.11 117.82 2cpw h GLN 37 Ca 0.17 0.05 0.03 0.00 -1.45 0.00 0.00 58.65 57.45 2cpw h GLN 37 Cb 0.09 0.17 -0.05 0.00 -0.05 0.00 0.00 27.48 27.64 2cpw h GLN 37 CO -0.13 -0.51 -0.37 -0.22 -0.95 0.00 0.00 178.83 176.66 2cpw h LYS 38 N -0.79 -0.51 0.07 1.46 1.63 0.20 0.19 116.57 118.82 2cpw h LYS 38 Ca -0.02 0.03 0.01 0.00 -0.85 0.00 0.00 60.65 59.82 2cpw h LYS 38 Cb 0.77 0.12 -0.03 0.00 -0.60 0.00 0.00 32.23 32.48 2cpw h LYS 38 CO -0.23 -0.34 -0.34 0.00 -3.45 0.00 0.00 179.45 175.09 2cpw h ALA 39 N 0.11 -0.83 -0.86 5.00 0.00 -0.38 0.31 119.26 122.61 2cpw h ALA 39 Ca 0.05 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 54.97 2cpw h ALA 39 Cb 0.61 0.74 -0.11 0.00 0.00 0.00 0.00 17.79 19.03 2cpw h ALA 39 CO -0.28 -0.92 -0.53 -0.07 0.00 0.00 0.00 179.25 177.44 2cpw h LEU 40 N -0.47 -1.95 -0.67 0.00 3.38 0.20 0.20 115.31 116.00 2cpw h LEU 40 Ca -0.00 0.29 0.07 0.00 0.09 0.00 0.00 57.88 58.33 2cpw h LEU 40 Cb 0.48 0.86 -0.10 0.00 0.09 0.00 0.00 40.66 41.99 2cpw h LEU 40 CO -0.19 -0.23 -0.57 0.00 0.09 0.00 0.00 178.44 177.55 2cpw h ALA 41 N 0.31 -0.68 -0.70 1.53 0.00 -0.15 0.66 119.26 120.24 2cpw h ALA 41 Ca 0.14 0.05 0.12 0.00 0.00 0.00 0.00 54.91 55.22 2cpw h ALA 41 Cb 0.39 1.24 -0.13 0.00 0.00 0.00 0.00 17.79 19.29 2cpw h ALA 41 CO -0.83 -1.01 -0.33 0.77 0.00 0.00 0.00 179.25 177.85 2cpw h SER 42 N -0.22 -1.18 -0.54 0.00 0.02 0.14 1.00 113.55 112.78 2cpw h SER 42 Ca 0.11 0.25 -0.31 0.00 -0.84 0.00 0.00 61.79 61.00 2cpw h SER 42 Cb 0.51 0.61 -0.16 0.00 0.14 0.00 0.00 62.40 63.49 2cpw h SER 42 CO -0.74 -0.30 0.39 0.35 -1.14 0.00 0.00 176.83 175.39 2cpw n THR 43 N -5.45 2.40 0.00 -2.27 -2.24 0.51 -4.92 114.28 102.31 2cpw n THR 43 Ca 0.06 -1.27 0.00 0.00 -2.27 0.00 0.00 64.05 60.57 2cpw n THR 43 Cb 0.37 -0.90 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 -0.21 0.77 0.00 3.38 0.00 0.35 -3.85 105.19 105.62 2cpw n GLY 44 Ca 0.33 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.38 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 0.00 0.53 -0.02 0.00 -0.88 -3.79 105.19 101.03 2cpw n GLY 45 Ca 0.00 -0.35 -0.11 0.00 0.00 0.00 0.00 46.02 45.57 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 0.31 -4.35 1.61 0.63 -1.25 -5.04 116.66 108.57 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 -1.03 -0.12 0.00 0.45 0.00 0.00 32.46 31.76 2cpw n ARG 46 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2cpw s SER 47 N -6.16 2.93 0.08 6.15 0.15 -1.26 -4.96 113.70 110.63 2cpw s SER 47 Ca -0.19 -0.76 0.08 0.00 0.70 0.00 0.00 55.95 55.78 2cpw s SER 47 Cb 0.05 -0.18 -0.22 0.00 -1.71 0.00 0.00 66.02 63.96 2cpw s SER 47 CO 0.25 0.09 1.13 -0.37 1.20 0.00 0.00 173.24 175.54 2cpw h VAL 48 N 3.74 1.51 0.11 4.45 -1.51 -1.97 -3.22 116.25 119.37 2cpw h VAL 48 Ca -0.47 -3.25 -0.00 0.00 -1.23 0.00 0.00 66.70 61.75 2cpw h VAL 48 Cb 1.19 2.75 -0.00 0.00 -2.13 0.00 0.00 31.29 33.09 2cpw h VAL 48 CO 0.43 0.86 -0.07 -0.61 -1.23 0.00 0.00 177.57 176.95 2cpw h GLN 49 N 0.00 -0.17 0.03 5.19 5.75 -1.99 -0.16 115.11 123.76 2cpw h GLN 49 Ca -0.08 0.01 0.02 0.00 -0.15 0.00 0.00 58.65 58.46 2cpw h GLN 49 Cb 1.83 0.04 -0.03 0.00 1.07 0.00 0.00 27.48 30.39 2cpw h GLN 49 CO 0.12 -0.11 -0.17 1.15 -2.65 0.00 0.00 178.83 177.17 2cpw h THR 50 N -0.18 0.60 -0.64 2.39 2.02 -2.00 -1.88 112.91 113.21 2cpw h THR 50 Ca -0.01 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.29 2cpw h THR 50 Cb 0.15 0.60 -0.09 0.00 -1.74 0.00 0.00 68.15 67.06 2cpw h THR 50 CO 0.01 0.00 0.15 0.00 0.37 0.00 0.00 175.52 176.05 2cpw h ALA 51 N 0.61 0.79 -0.34 6.16 0.00 -1.52 -0.88 119.26 124.08 2cpw h ALA 51 Ca 0.05 0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.15 2cpw h ALA 51 Cb 0.35 0.18 -0.08 0.00 0.00 0.00 0.00 17.79 18.23 2cpw h ALA 51 CO -0.14 -0.30 -0.50 0.00 0.00 0.00 0.00 179.25 178.31 2cpw h ASP 53 N -0.41 -0.43 0.26 0.00 1.82 -0.65 0.60 116.42 117.61 2cpw h ASP 53 Ca 0.09 0.24 -0.01 0.00 -0.39 0.00 0.00 57.03 56.96 2cpw h ASP 53 Cb 0.61 0.43 0.00 0.00 0.68 0.00 0.00 39.33 41.05 2cpw h ASP 53 CO -0.55 -0.27 -0.13 -0.25 -1.61 0.00 0.00 179.24 176.44 2cpw h TRP 54 N 0.06 -0.32 -0.18 0.28 7.01 0.05 0.23 115.95 123.07 2cpw h TRP 54 Ca 0.51 -0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.52 2cpw h TRP 54 Cb 0.97 0.11 -0.02 0.00 -2.10 0.00 0.00 29.16 28.12 2cpw h TRP 54 CO -0.47 -0.10 -0.13 -0.07 -2.79 0.00 0.00 178.44 174.87 2cpw h LEU 55 N -0.49 -0.46 -0.30 0.65 3.38 0.58 -0.77 115.31 117.89 2cpw h LEU 55 Ca -0.04 0.07 0.06 0.00 0.09 0.00 0.00 57.88 58.07 2cpw h LEU 55 Cb 0.37 0.20 -0.06 0.00 0.09 0.00 0.00 40.66 41.26 2cpw h LEU 55 CO 0.06 -0.06 -0.10 -0.26 0.09 0.00 0.00 178.44 178.16 2cpw h PHE 56 N -0.03 -0.23 -3.21 1.13 0.04 -0.85 -3.48 116.94 110.31 2cpw h PHE 56 Ca 0.03 0.03 0.35 0.00 2.80 0.00 0.00 57.97 61.18 2cpw h PHE 56 Cb 0.10 0.15 -0.13 0.00 2.20 0.00 0.00 35.95 38.27 2cpw h PHE 56 CO -0.86 -0.16 -0.79 -1.13 -0.60 0.00 0.00 178.31 174.77 2cpw n SER 57 N -5.28 -8.13 -1.42 2.17 3.41 0.79 -4.99 113.62 100.16 2cpw n SER 57 Ca 0.00 0.90 0.17 0.00 -0.26 0.00 0.00 58.87 59.69 2cpw n SER 57 Cb 0.20 -4.45 -0.08 0.00 -0.26 0.00 0.00 64.21 59.61 2cpw n SER 57 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2cpw n HIS 58 N -4.13 -3.70 -3.24 7.33 8.25 -1.26 -4.95 115.22 113.51 2cpw n HIS 58 Ca -0.03 2.01 -0.03 0.00 -0.26 0.00 0.00 57.72 59.41 2cpw n HIS 58 Cb 0.67 -3.37 -0.03 0.00 1.12 0.00 0.00 29.99 28.38 2cpw n HIS 58 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2cpw s SER 59 N -7.15 -0.62 0.00 0.41 0.01 -1.26 -5.11 113.70 99.98 2cpw s SER 59 Ca 0.00 -0.37 0.00 0.00 1.31 0.00 0.00 55.95 56.89 2cpw s SER 59 Cb 0.00 1.55 0.00 0.00 0.21 0.00 0.00 66.02 67.78 2cpw s SER 59 CO 0.00 -0.29 0.00 0.61 0.41 0.00 0.00 173.24 173.97 2cpw n GLY 60 N 5.10 -0.60 2.99 3.44 0.00 -1.26 -5.02 105.19 109.83 2cpw n GLY 60 Ca 0.05 -1.19 -0.42 0.00 0.00 0.00 0.00 46.02 44.46 2cpw n GLY 60 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cpw n PRO 61 N -0.66 2.16 -3.33 1.61 -0.04 -1.26 -4.50 135.00 128.99 2cpw n PRO 61 Ca 0.00 -2.27 -0.29 0.00 -0.04 0.00 0.00 63.50 60.90 2cpw n PRO 61 Cb 0.00 -3.14 0.03 0.00 -0.04 0.00 0.00 33.50 30.34 2cpw n PRO 61 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2cpw n SER 62 N 7.27 -6.21 -4.97 3.54 2.88 -1.26 -4.97 113.62 109.89 2cpw n SER 62 Ca 0.50 -0.01 -0.20 0.00 -1.33 0.00 0.00 58.87 57.83 2cpw n SER 62 Cb 0.40 -2.80 -0.02 0.00 -0.75 0.00 0.00 64.21 61.05 2cpw n SER 62 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2cpw s SER 63 N -1.92 6.19 0.00 -3.46 0.01 -1.26 -5.21 113.70 108.04 2cpw s SER 63 Ca 0.32 -0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.55 2cpw s SER 63 Cb -0.05 -1.65 0.00 0.00 0.21 0.00 0.00 66.02 64.54 2cpw s SER 63 CO 0.85 -0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.92