#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 -0.32 -0.08 1.61 0.01 -1.26 -5.19 113.70 108.48 2cpw s SER 2 Ca 0.00 0.40 -0.32 0.00 1.31 0.00 0.00 55.95 57.34 2cpw s SER 2 Cb 0.00 0.33 0.12 0.00 0.21 0.00 0.00 66.02 66.68 2cpw s SER 2 CO 0.00 -0.26 1.22 -0.94 0.41 0.00 0.00 173.24 173.67 2cpw s SER 3 N -0.87 -0.11 -0.11 2.44 1.04 -1.26 -5.17 113.70 109.66 2cpw s SER 3 Ca 0.01 -0.09 -0.08 0.00 0.48 0.00 0.00 55.95 56.28 2cpw s SER 3 Cb -0.01 0.18 0.04 0.00 0.10 0.00 0.00 66.02 66.33 2cpw s SER 3 CO -0.02 -0.32 0.27 -0.83 0.98 0.00 0.00 173.24 173.32 2cpw s GLY 4 N -2.61 -0.18 -0.41 7.32 0.00 -1.26 -5.10 107.32 105.07 2cpw s GLY 4 Ca 0.12 0.91 0.04 0.00 0.00 0.00 0.00 44.72 45.78 2cpw s GLY 4 CO -0.04 0.98 0.41 -0.45 0.00 0.00 0.00 173.10 174.00 2cpw s SER 5 N 0.70 0.94 0.33 1.64 0.15 -1.26 -4.95 113.70 111.26 2cpw s SER 5 Ca -0.05 -2.16 0.00 0.00 0.70 0.00 0.00 55.95 54.44 2cpw s SER 5 Cb -0.06 0.38 0.00 0.00 -1.71 0.00 0.00 66.02 64.63 2cpw s SER 5 CO -0.04 -0.20 0.00 -0.24 1.20 0.00 0.00 173.24 173.96 2cpw n SER 6 N 3.53 -1.94 0.00 5.45 2.88 -1.26 -5.17 113.62 117.11 2cpw n SER 6 Ca 0.19 0.61 0.00 0.00 -1.33 0.00 0.00 58.87 58.34 2cpw n SER 6 Cb 0.47 1.94 0.00 0.00 -0.75 0.00 0.00 64.21 65.87 2cpw n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cpw n GLY 7 N 0.00 1.85 0.10 0.46 0.00 -1.26 -5.07 105.19 101.27 2cpw n GLY 7 Ca 0.00 -0.83 -0.16 0.00 0.00 0.00 0.00 46.02 45.03 2cpw n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cpw n ARG 8 N -0.56 0.53 -1.51 1.61 1.74 -1.26 -5.10 116.66 112.11 2cpw n ARG 8 Ca 0.00 0.37 0.14 0.00 -0.77 0.00 0.00 57.85 57.58 2cpw n ARG 8 Cb 0.00 -1.57 -0.08 0.00 -1.02 0.00 0.00 32.46 29.80 2cpw n ARG 8 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2cpw n ASN 9 N -4.44 -8.16 -4.39 0.55 4.13 -1.26 -4.59 115.26 97.10 2cpw n ASN 9 Ca -0.26 1.60 -0.45 0.00 1.68 0.00 0.00 54.58 57.15 2cpw n ASN 9 Cb 0.59 -5.14 -0.02 0.00 -1.54 0.00 0.00 39.78 33.66 2cpw n ASN 9 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 2cpw s ARG 10 N -4.63 3.61 -0.31 3.52 0.52 -1.26 -4.83 118.95 115.58 2cpw s ARG 10 Ca 0.00 -2.11 -0.12 0.00 -0.52 0.00 0.00 55.73 52.98 2cpw s ARG 10 Cb 0.00 -4.69 0.19 0.00 0.52 0.00 0.00 34.95 30.97 2cpw s ARG 10 CO 0.00 -1.54 1.10 -1.14 0.02 0.00 0.00 175.30 173.73 2cpw s GLN 11 N 1.46 0.10 -0.43 3.54 2.00 -1.26 -5.10 119.66 119.97 2cpw s GLN 11 Ca 0.26 0.01 0.04 0.00 -2.00 0.00 0.00 55.36 53.66 2cpw s GLN 11 Cb -0.07 0.02 0.17 0.00 0.80 0.00 0.00 33.01 33.93 2cpw s GLN 11 CO -0.09 -0.16 0.34 -0.65 -0.50 0.00 0.00 175.29 174.23 2cpw s GLN 12 N 2.35 1.01 -0.29 1.67 -0.21 -1.26 -5.09 119.66 117.84 2cpw s GLN 12 Ca 0.20 -2.16 -0.34 0.00 0.02 0.00 0.00 55.36 53.08 2cpw s GLN 12 Cb 0.02 -1.58 0.18 0.00 1.00 0.00 0.00 33.01 32.63 2cpw s GLN 12 CO -0.18 -1.37 1.38 -0.98 -2.12 0.00 0.00 175.29 172.02 2cpw s ARG 13 N 0.00 0.03 -0.00 2.91 1.70 -1.26 -5.05 118.95 117.28 2cpw s ARG 13 Ca 0.31 -0.00 -0.21 0.00 -0.47 0.00 0.00 55.73 55.36 2cpw s ARG 13 Cb 0.01 0.01 -0.22 0.00 -0.57 0.00 0.00 34.95 34.19 2cpw s ARG 13 CO -0.18 -0.01 1.12 -1.00 -1.08 0.00 0.00 175.30 174.15 2cpw h PRO 14 N 2.01 0.37 -6.64 3.89 0.13 -1.98 -3.48 132.00 126.29 2cpw h PRO 14 Ca -0.04 -0.36 -0.46 0.00 -0.87 0.00 0.00 66.00 64.27 2cpw h PRO 14 Cb 1.15 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2cpw h PRO 14 CO 0.20 1.02 -1.07 0.41 -0.23 0.00 0.00 178.00 178.33 2cpw n GLY 15 N 0.94 -1.07 3.40 1.56 0.00 -1.26 -4.97 105.19 103.79 2cpw n GLY 15 Ca -0.09 0.64 -0.15 0.00 0.00 0.00 0.00 46.02 46.42 2cpw n GLY 15 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2cpw s THR 16 N -2.74 0.02 -0.41 2.61 -1.32 -1.26 -5.09 115.64 107.44 2cpw s THR 16 Ca 0.05 -0.14 0.08 0.00 -1.21 0.00 0.00 61.69 60.46 2cpw s THR 16 Cb -0.00 -0.77 0.25 0.00 -1.51 0.00 0.00 72.50 70.46 2cpw s THR 16 CO 0.85 -0.08 0.53 2.30 -2.21 0.00 0.00 174.62 176.01 2cpw n ILE 17 N 1.80 -0.50 -2.99 5.08 -5.35 -1.26 -4.95 119.36 111.19 2cpw n ILE 17 Ca -0.18 -4.08 -0.15 0.00 -0.27 0.00 0.00 62.75 58.07 2cpw n ILE 17 Cb 0.56 -1.96 0.01 0.00 -1.74 0.00 0.00 39.64 36.51 2cpw n ILE 17 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 2cpw n LYS 18 N 1.40 0.88 -1.40 6.28 3.00 -1.26 -5.10 118.16 121.96 2cpw n LYS 18 Ca 0.22 -2.64 0.00 0.00 -0.00 0.00 0.00 58.31 55.89 2cpw n LYS 18 Cb 0.52 -1.37 0.00 0.00 0.00 0.00 0.00 35.03 34.18 2cpw n LYS 18 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98 2cpw n HIS 19 N 0.87 -3.80 -1.19 5.64 -0.00 -1.26 -5.04 115.22 110.43 2cpw n HIS 19 Ca 0.16 2.01 0.00 0.00 0.46 0.00 0.00 57.72 60.35 2cpw n HIS 19 Cb 0.63 -3.19 0.00 0.00 -0.12 0.00 0.00 29.99 27.31 2cpw n HIS 19 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2cpw n GLY 20 N -0.59 1.56 3.64 1.57 0.00 -1.26 -5.13 105.19 104.98 2cpw n GLY 20 Ca 0.00 -1.89 -0.05 0.00 0.00 0.00 0.00 46.02 44.08 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 -1.00 -0.21 0.46 1.61 0.01 -1.26 -4.93 113.70 108.38 2cpw s SER 21 Ca 0.00 0.40 0.33 0.00 1.31 0.00 0.00 55.95 58.00 2cpw s SER 21 Cb 0.00 0.41 1.48 0.00 0.21 0.00 0.00 66.02 68.11 2cpw s SER 21 CO 0.00 -0.07 1.63 0.00 0.41 0.00 0.00 173.24 175.20 2cpw h ALA 22 N 3.53 2.92 0.05 1.44 0.00 -1.95 0.89 119.26 126.14 2cpw h ALA 22 Ca -0.27 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 2cpw h ALA 22 Cb 1.19 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.17 2cpw h ALA 22 CO 0.15 -1.53 -0.02 1.25 0.00 0.00 0.00 179.25 179.10 2cpw h LEU 23 N 0.07 -0.05 -1.92 0.00 5.85 -1.95 -3.01 115.31 114.30 2cpw h LEU 23 Ca 0.82 -0.59 0.23 0.00 0.84 0.00 0.00 57.88 59.18 2cpw h LEU 23 Cb 2.73 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 43.73 2cpw h LEU 23 CO -0.33 0.68 0.59 -0.78 -0.34 0.00 0.00 178.44 178.26 2cpw h ASP 24 N -0.91 0.07 0.39 1.25 3.58 -0.06 0.67 116.42 121.41 2cpw h ASP 24 Ca -0.01 0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.43 2cpw h ASP 24 Cb 0.64 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.69 2cpw h ASP 24 CO 0.01 0.03 -0.19 0.58 -2.88 0.00 0.00 179.24 176.79 2cpw h VAL 25 N 0.07 0.60 -0.97 2.25 2.07 0.43 -1.77 116.25 118.93 2cpw h VAL 25 Ca 0.40 -0.37 0.14 0.00 0.82 0.00 0.00 66.70 67.69 2cpw h VAL 25 Cb 1.49 0.78 -0.09 0.00 -1.52 0.00 0.00 31.29 31.95 2cpw h VAL 25 CO -0.03 0.07 0.59 -0.07 0.02 0.00 0.00 177.57 178.14 2cpw h LEU 26 N -0.74 0.81 -1.53 2.57 3.38 -0.79 0.49 115.31 119.50 2cpw h LEU 26 Ca -0.05 0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.01 2cpw h LEU 26 Cb 0.51 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 2cpw h LEU 26 CO 0.09 0.38 0.35 -0.07 0.09 0.00 0.00 178.44 179.28 2cpw h LEU 27 N 0.86 0.54 -0.65 1.67 3.38 -0.93 -0.32 115.31 119.85 2cpw h LEU 27 Ca 0.51 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 58.34 2cpw h LEU 27 Cb 0.62 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 2cpw h LEU 27 CO -0.31 0.38 -0.37 -1.28 0.09 0.00 0.00 178.44 176.95 2cpw h SER 28 N 0.63 0.68 0.44 -0.43 0.87 0.84 -2.51 113.55 114.06 2cpw h SER 28 Ca 0.21 -0.29 -0.01 0.00 -1.23 0.00 0.00 61.79 60.47 2cpw h SER 28 Cb 0.05 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 61.82 2cpw h SER 28 CO -0.05 0.98 -0.04 0.24 -0.53 0.00 0.00 176.83 177.43 2cpw h MET 29 N 0.54 0.00 0.00 2.24 2.86 0.06 -3.45 114.93 117.17 2cpw h MET 29 Ca 0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 2cpw h MET 29 Cb 0.88 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.54 2cpw h MET 29 CO 0.08 0.04 0.00 0.41 1.06 0.00 0.00 176.91 178.50 2cpw n GLY 30 N -0.61 1.71 3.80 8.32 0.00 -0.93 -5.11 105.19 112.38 2cpw n GLY 30 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 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 3.32 0.16 1.61 0.40 -0.63 -5.01 117.98 115.82 2cpw s PHE 31 Ca 0.00 0.23 -0.30 0.00 -0.60 0.00 0.00 56.93 56.26 2cpw s PHE 31 Cb 0.00 -1.75 -0.07 0.00 0.51 0.00 0.00 43.02 41.70 2cpw s PHE 31 CO 0.00 0.57 1.13 -1.25 0.70 0.00 0.00 175.22 176.36 2cpw s PRO 32 N -1.74 4.55 0.26 0.24 0.04 -1.26 -3.83 135.00 133.27 2cpw s PRO 32 Ca 0.23 1.74 -0.08 0.00 0.04 0.00 0.00 61.00 62.93 2cpw s PRO 32 Cb -0.12 -3.29 0.43 0.00 0.04 0.00 0.00 34.50 31.56 2cpw s PRO 32 CO 0.14 -0.00 1.47 -2.13 0.04 0.00 0.00 177.00 176.52 2cpw n ARG 33 N 2.65 -0.09 0.01 4.56 0.63 -1.26 0.20 116.66 123.37 2cpw n ARG 33 Ca 0.04 1.47 -0.14 0.00 -0.92 0.00 0.00 57.85 58.30 2cpw n ARG 33 Cb 0.46 -2.20 -0.09 0.00 0.45 0.00 0.00 32.46 31.08 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 1.88 -0.89 -0.50 5.13 0.00 -1.97 1.44 119.26 124.35 2cpw h ALA 34 Ca 0.45 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.36 2cpw h ALA 34 Cb 0.69 0.96 -0.09 0.00 0.00 0.00 0.00 17.79 19.35 2cpw h ALA 34 CO -0.97 -1.06 -0.53 0.00 0.00 0.00 0.00 179.25 176.69 2cpw h ARG 35 N -0.57 -0.31 -0.99 0.00 -0.00 -0.63 1.06 114.38 112.93 2cpw h ARG 35 Ca 0.02 0.02 0.09 0.00 -0.50 0.00 0.00 59.98 59.61 2cpw h ARG 35 Cb 0.65 0.07 -0.07 0.00 0.00 0.00 0.00 29.97 30.62 2cpw h ARG 35 CO -0.38 -0.21 0.63 0.00 0.00 0.00 0.00 179.97 180.01 2cpw h ALA 36 N 0.16 1.48 0.79 0.04 0.00 -0.59 0.32 119.26 121.45 2cpw h ALA 36 Ca 0.10 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 2cpw h ALA 36 Cb 0.57 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.11 2cpw h ALA 36 CO -0.65 0.33 -0.38 1.96 0.00 0.00 0.00 179.25 180.52 2cpw h GLN 37 N 1.08 -1.02 -0.64 0.00 1.08 0.62 1.16 115.11 117.38 2cpw h GLN 37 Ca 0.45 0.07 0.13 0.00 -1.45 0.00 0.00 58.65 57.86 2cpw h GLN 37 Cb 0.32 0.23 -0.12 0.00 -0.05 0.00 0.00 27.48 27.86 2cpw h GLN 37 CO -0.21 -0.68 -0.11 0.87 -0.95 0.00 0.00 178.83 177.75 2cpw h LYS 38 N -1.09 0.03 0.83 1.46 1.79 0.13 0.33 116.57 120.06 2cpw h LYS 38 Ca -0.11 -0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.32 2cpw h LYS 38 Cb 0.82 -0.01 0.01 0.00 -1.58 0.00 0.00 32.23 31.47 2cpw h LYS 38 CO 0.18 0.02 -0.40 0.00 -1.08 0.00 0.00 179.45 178.17 2cpw h ALA 39 N 1.63 -1.25 -0.28 3.86 0.00 -0.80 -1.11 119.26 121.31 2cpw h ALA 39 Ca 0.32 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 55.01 2cpw h ALA 39 Cb 0.51 0.43 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 2cpw h ALA 39 CO -0.63 -1.17 -0.18 -0.07 0.00 0.00 0.00 179.25 177.20 2cpw h LEU 40 N -1.16 -0.66 -0.68 0.00 3.38 0.23 0.29 115.31 116.70 2cpw h LEU 40 Ca -0.11 0.10 0.06 0.00 0.09 0.00 0.00 57.88 58.02 2cpw h LEU 40 Cb 0.86 0.29 -0.09 0.00 0.09 0.00 0.00 40.66 41.81 2cpw h LEU 40 CO 0.19 -0.08 -0.45 0.00 0.09 0.00 0.00 178.44 178.19 2cpw h ALA 41 N -0.60 -0.47 -0.84 1.53 0.00 -0.31 1.33 119.26 119.91 2cpw h ALA 41 Ca 0.05 0.07 0.09 0.00 0.00 0.00 0.00 54.91 55.12 2cpw h ALA 41 Cb 0.14 1.24 -0.12 0.00 0.00 0.00 0.00 17.79 19.06 2cpw h ALA 41 CO -0.27 -0.77 -0.55 1.03 0.00 0.00 0.00 179.25 178.69 2cpw h SER 42 N -0.06 -1.96 -0.54 0.00 0.87 0.25 1.13 113.55 113.24 2cpw h SER 42 Ca 0.11 0.30 -0.31 0.00 -1.23 0.00 0.00 61.79 60.67 2cpw h SER 42 Cb 0.34 0.87 -0.16 0.00 -0.44 0.00 0.00 62.40 63.01 2cpw h SER 42 CO -0.67 -0.28 0.39 0.35 -0.53 0.00 0.00 176.83 176.08 2cpw n THR 43 N -5.32 2.39 0.00 2.23 -2.24 0.84 -4.93 114.28 107.25 2cpw n THR 43 Ca 0.02 -1.26 0.00 0.00 -2.27 0.00 0.00 64.05 60.54 2cpw n THR 43 Cb 0.30 -0.89 0.00 0.00 -2.10 0.00 0.00 70.33 67.64 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 1.31 0.00 3.38 0.00 0.43 -3.99 105.19 106.10 2cpw n GLY 44 Ca 0.33 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.77 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 -0.28 0.51 -0.02 0.00 -1.04 -3.10 105.19 101.26 2cpw n GLY 45 Ca 0.00 -0.07 -0.15 0.00 0.00 0.00 0.00 46.02 45.80 2cpw n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cpw n ARG 46 N 0.00 0.33 -5.11 1.61 5.12 -1.26 -5.01 116.66 112.34 2cpw n ARG 46 Ca 0.00 0.14 -0.31 0.00 -1.93 0.00 0.00 57.85 55.76 2cpw n ARG 46 Cb 0.00 -1.06 -0.15 0.00 -1.16 0.00 0.00 32.46 30.09 2cpw n ARG 46 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2cpw s SER 47 N -6.35 3.14 0.27 0.55 0.15 -1.26 -4.99 113.70 105.21 2cpw s SER 47 Ca -0.21 -0.52 0.14 0.00 0.70 0.00 0.00 55.95 56.06 2cpw s SER 47 Cb 0.08 -0.33 0.10 0.00 -1.71 0.00 0.00 66.02 64.15 2cpw s SER 47 CO 0.27 0.29 1.45 -0.37 1.20 0.00 0.00 173.24 176.09 2cpw h VAL 48 N 4.36 0.96 0.37 4.45 -1.51 -1.96 -3.21 116.25 119.71 2cpw h VAL 48 Ca -0.45 -2.29 -0.02 0.00 -1.23 0.00 0.00 66.70 62.72 2cpw h VAL 48 Cb 1.13 2.43 0.00 0.00 -2.13 0.00 0.00 31.29 32.72 2cpw h VAL 48 CO 0.46 0.54 -0.18 -0.61 -1.23 0.00 0.00 177.57 176.54 2cpw h GLN 49 N 0.00 -0.48 -0.50 5.19 -0.00 -1.97 -1.11 115.11 116.25 2cpw h GLN 49 Ca -0.01 0.03 0.09 0.00 -0.00 0.00 0.00 58.65 58.77 2cpw h GLN 49 Cb 1.38 0.11 -0.08 0.00 0.00 0.00 0.00 27.48 28.90 2cpw h GLN 49 CO 0.07 -0.23 0.05 1.15 0.00 0.00 0.00 178.83 179.87 2cpw h THR 50 N -0.65 0.67 -0.15 2.39 2.02 -2.00 -1.28 112.91 113.91 2cpw h THR 50 Ca -0.05 -0.06 0.04 0.00 0.77 0.00 0.00 66.41 67.11 2cpw h THR 50 Cb 0.47 0.48 -0.05 0.00 -1.74 0.00 0.00 68.15 67.31 2cpw h THR 50 CO 0.08 0.03 -0.14 0.00 0.37 0.00 0.00 175.52 175.86 2cpw h ALA 51 N 1.41 -0.05 -0.73 6.16 0.00 -1.53 -1.61 119.26 122.92 2cpw h ALA 51 Ca 0.25 0.06 0.12 0.00 0.00 0.00 0.00 54.91 55.33 2cpw h ALA 51 Cb 0.36 0.30 -0.13 0.00 0.00 0.00 0.00 17.79 18.32 2cpw h ALA 51 CO -0.37 -0.59 -0.38 0.00 0.00 0.00 0.00 179.25 177.91 2cpw h ASP 53 N -0.12 0.23 -0.14 0.00 1.82 -0.66 0.45 116.42 118.01 2cpw h ASP 53 Ca 0.26 0.16 -0.03 0.00 -0.39 0.00 0.00 57.03 57.02 2cpw h ASP 53 Cb 0.56 0.17 -0.00 0.00 0.68 0.00 0.00 39.33 40.74 2cpw h ASP 53 CO -0.79 -0.03 -0.05 -0.25 -1.61 0.00 0.00 179.24 176.51 2cpw h TRP 54 N 0.35 0.32 -0.81 0.28 7.01 0.20 1.29 115.95 124.58 2cpw h TRP 54 Ca 0.54 -0.07 0.20 0.00 2.11 0.00 0.00 58.89 61.67 2cpw h TRP 54 Cb 1.03 -0.08 -0.13 0.00 -2.10 0.00 0.00 29.16 27.89 2cpw h TRP 54 CO -0.17 0.58 0.18 -0.07 -2.79 0.00 0.00 178.44 176.17 2cpw h LEU 55 N -0.04 -0.05 0.00 0.65 3.38 0.53 -2.41 115.31 117.37 2cpw h LEU 55 Ca 0.03 0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 2cpw h LEU 55 Cb 0.49 0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 2cpw h LEU 55 CO 0.02 -0.11 -0.06 -0.26 0.09 0.00 0.00 178.44 178.12 2cpw h PHE 56 N 0.22 0.00 -6.06 1.13 0.04 -0.46 -3.50 116.94 108.31 2cpw h PHE 56 Ca 0.48 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 61.23 2cpw h PHE 56 Cb 0.90 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.05 2cpw h PHE 56 CO -0.29 0.61 -1.00 -1.13 -0.60 0.00 0.00 178.31 175.90 2cpw n SER 57 N -4.67 -6.89 0.14 2.17 3.41 0.44 -4.91 113.62 103.30 2cpw n SER 57 Ca -0.07 0.63 -0.11 0.00 -0.26 0.00 0.00 58.87 59.06 2cpw n SER 57 Cb 0.30 -2.58 -0.07 0.00 -0.26 0.00 0.00 64.21 61.60 2cpw n SER 57 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 175.04 176.00 2cpw h HIS 58 N 3.34 -0.38 -3.18 7.33 2.07 -1.91 -3.44 115.15 118.99 2cpw h HIS 58 Ca -0.03 -0.01 -0.55 0.00 -2.85 0.00 0.00 60.37 56.93 2cpw h HIS 58 Cb 0.78 0.13 -0.36 0.00 2.57 0.00 0.00 27.41 30.52 2cpw h HIS 58 CO 0.00 -0.04 -0.81 0.45 -3.07 0.00 0.00 177.93 174.46 2cpw s SER 59 N -5.15 2.32 0.78 3.10 0.15 -1.26 -5.13 113.70 108.50 2cpw s SER 59 Ca -0.12 -0.36 -0.13 0.00 0.70 0.00 0.00 55.95 56.04 2cpw s SER 59 Cb 0.01 -0.95 0.07 0.00 -1.71 0.00 0.00 66.02 63.43 2cpw s SER 59 CO 0.42 -0.08 1.15 -0.83 1.20 0.00 0.00 173.24 175.09 2cpw s GLY 60 N 1.53 1.97 -1.20 9.45 0.00 -1.26 -4.85 107.32 112.95 2cpw s GLY 60 Ca 0.03 0.60 -0.09 0.00 0.00 0.00 0.00 44.72 45.25 2cpw s GLY 60 CO -0.08 0.98 2.42 -1.55 0.00 0.00 0.00 173.10 174.87 2cpw n PRO 61 N -3.28 2.69 -1.54 2.90 -0.04 -1.26 -4.88 135.00 129.59 2cpw n PRO 61 Ca 0.11 -1.83 -0.36 0.00 -0.04 0.00 0.00 63.50 61.38 2cpw n PRO 61 Cb 0.52 -2.67 -0.04 0.00 -0.04 0.00 0.00 33.50 31.26 2cpw n PRO 61 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2cpw n SER 62 N 4.34 2.08 -1.69 3.54 3.41 -1.26 -4.13 113.62 119.90 2cpw n SER 62 Ca 0.58 -0.48 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 2cpw n SER 62 Cb 0.20 -1.52 0.00 0.00 -0.26 0.00 0.00 64.21 62.63 2cpw n SER 62 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2cpw n SER 63 N 15.50 -7.10 0.00 4.04 2.88 -1.26 -5.29 113.62 122.39 2cpw n SER 63 Ca 0.40 1.05 0.00 0.00 -1.33 0.00 0.00 58.87 58.99 2cpw n SER 63 Cb 0.49 -3.95 0.00 0.00 -0.75 0.00 0.00 64.21 60.00 2cpw n SER 63 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42