#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 0.11 -0.13 1.61 0.15 -1.26 -5.17 113.70 109.01 2cpw s SER 2 Ca 0.00 -0.94 -0.19 0.00 0.70 0.00 0.00 55.95 55.52 2cpw s SER 2 Cb 0.00 0.40 0.05 0.00 -1.71 0.00 0.00 66.02 64.75 2cpw s SER 2 CO 0.00 -0.85 0.48 -0.44 1.20 0.00 0.00 173.24 173.63 2cpw s SER 3 N -2.98 -0.46 0.00 5.45 0.01 -1.26 -5.11 113.70 109.35 2cpw s SER 3 Ca 0.18 0.76 0.00 0.00 1.31 0.00 0.00 55.95 58.20 2cpw s SER 3 Cb 0.04 0.79 0.00 0.00 0.21 0.00 0.00 66.02 67.07 2cpw s SER 3 CO -0.00 -0.29 0.00 0.61 0.41 0.00 0.00 173.24 173.97 2cpw n GLY 4 N 2.23 0.28 2.39 3.44 0.00 -1.26 -5.13 105.19 107.14 2cpw n GLY 4 Ca -0.16 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.85 2cpw n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cpw n SER 5 N -0.71 -8.53 0.20 1.61 7.64 -1.26 -5.03 113.62 107.54 2cpw n SER 5 Ca 0.00 1.82 0.00 0.00 1.01 0.00 0.00 58.87 61.70 2cpw n SER 5 Cb 0.00 -5.22 0.00 0.00 -1.01 0.00 0.00 64.21 57.98 2cpw n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2cpw n SER 6 N 1.85 -3.58 -2.91 6.43 7.64 -1.26 -5.12 113.62 116.66 2cpw n SER 6 Ca -0.05 0.79 -0.02 0.00 1.01 0.00 0.00 58.87 60.61 2cpw n SER 6 Cb 0.07 3.40 -0.01 0.00 -1.01 0.00 0.00 64.21 66.66 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 -1.47 -2.22 3.23 0.23 0.00 -1.26 -5.02 105.19 98.67 2cpw n GLY 7 Ca 0.00 0.57 -0.22 0.00 0.00 0.00 0.00 46.02 46.37 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 -0.74 1.02 -0.35 1.61 3.52 -1.26 -5.11 118.95 117.64 2cpw s ARG 8 Ca -0.08 -1.03 0.03 0.00 -0.13 0.00 0.00 55.73 54.52 2cpw s ARG 8 Cb 0.01 -1.16 0.16 0.00 -1.56 0.00 0.00 34.95 32.39 2cpw s ARG 8 CO 0.36 0.27 0.40 -0.80 -0.81 0.00 0.00 175.30 174.72 2cpw s ASN 9 N -1.71 0.82 -0.02 -2.12 0.01 -1.26 -5.02 114.94 105.64 2cpw s ASN 9 Ca 0.03 -1.19 -0.00 0.00 -0.71 0.00 0.00 52.86 50.99 2cpw s ASN 9 Cb -0.10 0.79 0.00 0.00 0.41 0.00 0.00 41.25 42.35 2cpw s ASN 9 CO 0.03 -0.28 0.00 0.54 -1.51 0.00 0.00 177.10 175.88 2cpw n ARG 10 N 4.59 -0.58 -3.59 -0.60 1.74 -1.26 -5.01 116.66 111.95 2cpw n ARG 10 Ca 0.08 0.95 -0.02 0.00 -0.77 0.00 0.00 57.85 58.08 2cpw n ARG 10 Cb 0.47 -1.26 -0.06 0.00 -1.02 0.00 0.00 32.46 30.59 2cpw n ARG 10 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2cpw s GLN 11 N -0.95 0.46 0.09 5.56 -1.52 -1.26 -5.08 119.66 116.96 2cpw s GLN 11 Ca -0.00 0.91 -0.01 0.00 -1.95 0.00 0.00 55.36 54.31 2cpw s GLN 11 Cb 0.00 0.29 -0.00 0.00 -0.22 0.00 0.00 33.01 33.08 2cpw s GLN 11 CO 0.05 -0.12 -0.01 1.04 -0.25 0.00 0.00 175.29 176.00 2cpw n GLN 12 N 4.38 0.02 0.00 2.91 6.02 -1.26 -5.14 117.38 124.31 2cpw n GLN 12 Ca -0.16 0.01 0.00 0.00 -0.01 0.00 0.00 57.00 56.84 2cpw n GLN 12 Cb 0.55 -0.54 0.00 0.00 1.02 0.00 0.00 30.24 31.28 2cpw n GLN 12 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 2cpw n ARG 13 N -3.53 0.00 -1.91 -1.09 0.63 -1.26 -5.17 116.66 104.33 2cpw n ARG 13 Ca -0.01 0.00 -0.32 0.00 -0.92 0.00 0.00 57.85 56.60 2cpw n ARG 13 Cb 0.03 0.00 0.02 0.00 0.45 0.00 0.00 32.46 32.96 2cpw n ARG 13 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 2cpw s PRO 14 N -1.88 3.24 -1.52 -0.14 0.04 -1.26 -4.93 135.00 128.55 2cpw s PRO 14 Ca 0.00 1.10 -0.12 0.00 0.04 0.00 0.00 61.00 62.02 2cpw s PRO 14 Cb 0.00 -2.03 -0.01 0.00 0.04 0.00 0.00 34.50 32.50 2cpw s PRO 14 CO 0.00 -0.86 2.54 0.41 0.04 0.00 0.00 177.00 179.13 2cpw n GLY 15 N -1.38 4.38 2.90 0.56 0.00 -1.26 -4.84 105.19 105.56 2cpw n GLY 15 Ca 0.08 -1.58 -0.27 0.00 0.00 0.00 0.00 46.02 44.25 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 2.52 1.03 -0.40 2.61 -4.23 -1.26 -5.08 115.64 110.84 2cpw s THR 16 Ca 0.57 -0.33 0.01 0.00 -1.18 0.00 0.00 61.69 60.76 2cpw s THR 16 Cb 0.16 -1.08 0.13 0.00 1.34 0.00 0.00 72.50 73.05 2cpw s THR 16 CO -0.07 0.33 0.21 0.27 -0.54 0.00 0.00 174.62 174.82 2cpw s ILE 17 N 1.70 1.05 -0.45 2.99 -5.25 -1.26 -4.96 121.20 115.02 2cpw s ILE 17 Ca 0.04 -2.21 0.07 0.00 -0.99 0.00 0.00 60.65 57.56 2cpw s ILE 17 Cb -0.13 -1.75 0.29 0.00 2.95 0.00 0.00 42.46 43.82 2cpw s ILE 17 CO -0.08 -0.89 0.93 1.17 -1.79 0.00 0.00 174.94 174.28 2cpw n LYS 18 N 3.83 0.90 -3.62 0.37 3.00 -1.26 -5.13 118.16 116.26 2cpw n LYS 18 Ca 0.08 -2.21 -0.01 0.00 -0.00 0.00 0.00 58.31 56.17 2cpw n LYS 18 Cb 0.36 -1.29 -0.02 0.00 0.00 0.00 0.00 35.03 34.09 2cpw n LYS 18 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.40 175.82 2cpw s HIS 19 N -0.13 -0.03 0.00 5.64 2.46 -1.26 -5.19 115.29 116.78 2cpw s HIS 19 Ca 0.29 0.01 0.00 0.00 0.47 0.00 0.00 55.06 55.84 2cpw s HIS 19 Cb 0.27 0.51 0.00 0.00 -0.13 0.00 0.00 32.58 33.22 2cpw s HIS 19 CO -0.13 -0.07 0.00 0.41 -2.47 0.00 0.00 174.74 172.48 2cpw n GLY 20 N -0.15 3.90 3.83 1.59 0.00 -1.26 -5.01 105.19 108.09 2cpw n GLY 20 Ca 0.01 -1.44 -0.34 0.00 0.00 0.00 0.00 46.02 44.25 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 6.90 0.30 1.61 0.01 -1.26 -4.84 113.70 116.43 2cpw s SER 21 Ca 0.00 1.43 0.06 0.00 1.31 0.00 0.00 55.95 58.75 2cpw s SER 21 Cb 0.00 -2.43 0.81 0.00 0.21 0.00 0.00 66.02 64.62 2cpw s SER 21 CO 0.00 -0.18 1.67 0.00 0.41 0.00 0.00 173.24 175.14 2cpw h ALA 22 N 2.49 1.52 -0.03 1.44 0.00 -1.99 1.49 119.26 124.17 2cpw h ALA 22 Ca -0.48 0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 2cpw h ALA 22 Cb 1.18 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.18 2cpw h ALA 22 CO 0.64 -0.44 -0.13 1.25 0.00 0.00 0.00 179.25 180.58 2cpw h LEU 23 N 0.32 0.17 -1.86 0.00 5.85 -1.96 -2.96 115.31 114.87 2cpw h LEU 23 Ca 0.60 -0.65 0.12 0.00 0.84 0.00 0.00 57.88 58.79 2cpw h LEU 23 Cb 1.23 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.19 2cpw h LEU 23 CO -0.59 0.79 0.36 -0.78 -0.34 0.00 0.00 178.44 177.88 2cpw h ASP 24 N -0.45 0.14 0.55 1.25 3.58 -1.00 -1.06 116.42 119.42 2cpw h ASP 24 Ca -0.01 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.42 2cpw h ASP 24 Cb 0.78 -0.02 0.01 0.00 1.72 0.00 0.00 39.33 41.82 2cpw h ASP 24 CO 0.03 0.08 -0.26 0.58 -2.88 0.00 0.00 179.24 176.78 2cpw h VAL 25 N 0.15 0.43 -0.80 2.25 2.07 0.20 -0.75 116.25 119.80 2cpw h VAL 25 Ca 0.25 -0.17 0.13 0.00 0.82 0.00 0.00 66.70 67.73 2cpw h VAL 25 Cb 0.77 0.50 -0.09 0.00 -1.52 0.00 0.00 31.29 30.95 2cpw h VAL 25 CO -0.03 0.03 0.40 -0.07 0.02 0.00 0.00 177.57 177.91 2cpw h LEU 26 N -0.84 0.49 -1.07 2.57 3.38 -1.08 0.29 115.31 119.05 2cpw h LEU 26 Ca -0.08 0.08 0.07 0.00 0.09 0.00 0.00 57.88 58.04 2cpw h LEU 26 Cb 0.61 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.30 2cpw h LEU 26 CO 0.12 0.23 0.62 -0.07 0.09 0.00 0.00 178.44 179.44 2cpw h LEU 27 N 0.61 0.98 -0.86 1.67 3.38 -0.95 -0.04 115.31 120.10 2cpw h LEU 27 Ca 0.42 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.34 2cpw h LEU 27 Cb 0.55 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 2cpw h LEU 27 CO -0.33 0.62 0.11 -1.28 0.09 0.00 0.00 178.44 177.64 2cpw h SER 28 N 1.11 0.90 0.27 -0.43 0.87 0.10 -1.77 113.55 114.60 2cpw h SER 28 Ca 0.42 -0.19 -0.01 0.00 -1.23 0.00 0.00 61.79 60.77 2cpw h SER 28 Cb 0.20 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 61.92 2cpw h SER 28 CO -0.16 0.90 -0.05 0.24 -0.53 0.00 0.00 176.83 177.23 2cpw h MET 29 N 0.90 0.00 0.00 2.24 2.86 0.34 -3.45 114.93 117.83 2cpw h MET 29 Ca 0.19 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 2cpw h MET 29 Cb 0.38 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.04 2cpw h MET 29 CO 0.01 0.05 0.00 0.41 1.06 0.00 0.00 176.91 178.44 2cpw n GLY 30 N -0.84 1.66 3.90 8.32 0.00 -0.67 -5.11 105.19 112.45 2cpw n GLY 30 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 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 3.54 0.23 1.61 0.40 -0.60 -5.01 117.98 116.16 2cpw s PHE 31 Ca 0.00 0.37 -0.30 0.00 -0.60 0.00 0.00 56.93 56.41 2cpw s PHE 31 Cb 0.00 -1.84 -0.09 0.00 0.51 0.00 0.00 43.02 41.61 2cpw s PHE 31 CO 0.00 0.65 1.10 -1.25 0.70 0.00 0.00 175.22 176.42 2cpw s PRO 32 N -1.81 4.62 0.22 0.24 0.04 -1.26 -3.82 135.00 133.22 2cpw s PRO 32 Ca 0.25 1.76 -0.17 0.00 0.04 0.00 0.00 61.00 62.88 2cpw s PRO 32 Cb -0.13 -3.24 0.21 0.00 0.04 0.00 0.00 34.50 31.39 2cpw s PRO 32 CO 0.17 0.15 1.48 -2.13 0.04 0.00 0.00 177.00 176.70 2cpw n ARG 33 N 1.81 -0.24 -0.15 4.56 0.63 -1.26 -0.04 116.66 121.98 2cpw n ARG 33 Ca 0.01 1.47 -0.13 0.00 -0.92 0.00 0.00 57.85 58.28 2cpw n ARG 33 Cb 0.45 -2.18 -0.09 0.00 0.45 0.00 0.00 32.46 31.09 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 1.27 -0.73 -0.69 5.13 0.00 -1.97 1.45 119.26 123.72 2cpw h ALA 34 Ca 0.32 0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.30 2cpw h ALA 34 Cb 0.56 1.11 -0.09 0.00 0.00 0.00 0.00 17.79 19.37 2cpw h ALA 34 CO -0.95 -0.99 -0.52 -0.09 0.00 0.00 0.00 179.25 176.71 2cpw h ARG 35 N -0.34 -0.13 -0.87 0.00 9.65 -0.84 1.45 114.38 123.30 2cpw h ARG 35 Ca 0.07 0.01 0.07 0.00 -1.10 0.00 0.00 59.98 59.03 2cpw h ARG 35 Cb 0.54 0.03 -0.06 0.00 -1.39 0.00 0.00 29.97 29.08 2cpw h ARG 35 CO -0.57 -0.09 0.54 0.00 2.80 0.00 0.00 179.97 182.65 2cpw h ALA 36 N 0.14 1.21 0.47 2.80 0.00 -0.42 -0.38 119.26 123.07 2cpw h ALA 36 Ca 0.11 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2cpw h ALA 36 Cb 0.43 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2cpw h ALA 36 CO -0.72 0.27 -0.27 1.96 0.00 0.00 0.00 179.25 180.50 2cpw h GLN 37 N 0.97 -0.66 -0.73 0.00 1.08 0.69 0.91 115.11 117.37 2cpw h GLN 37 Ca 0.39 0.04 0.14 0.00 -1.45 0.00 0.00 58.65 57.77 2cpw h GLN 37 Cb 0.20 0.15 -0.14 0.00 -0.05 0.00 0.00 27.48 27.64 2cpw h GLN 37 CO -0.18 -0.44 -0.25 -0.22 -0.95 0.00 0.00 178.83 176.79 2cpw h LYS 38 N -0.68 -0.05 0.59 1.46 3.64 0.19 0.38 116.57 122.10 2cpw h LYS 38 Ca -0.06 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.29 2cpw h LYS 38 Cb 0.54 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.37 2cpw h LYS 38 CO 0.08 -0.03 -0.37 0.00 -2.27 0.00 0.00 179.45 176.86 2cpw h ALA 39 N 1.50 -1.18 -0.48 5.00 0.00 -0.90 -0.97 119.26 122.23 2cpw h ALA 39 Ca 0.33 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 55.09 2cpw h ALA 39 Cb 0.56 0.49 -0.06 0.00 0.00 0.00 0.00 17.79 18.78 2cpw h ALA 39 CO -0.77 -1.15 -0.30 -0.07 0.00 0.00 0.00 179.25 176.96 2cpw h LEU 40 N -0.90 -1.09 -0.93 0.00 3.38 0.22 0.17 115.31 116.16 2cpw h LEU 40 Ca -0.08 0.16 0.09 0.00 0.09 0.00 0.00 57.88 58.15 2cpw h LEU 40 Cb 0.72 0.48 -0.12 0.00 0.09 0.00 0.00 40.66 41.83 2cpw h LEU 40 CO 0.08 -0.13 -0.56 0.00 0.09 0.00 0.00 178.44 177.92 2cpw h ALA 41 N -0.27 -0.50 -0.71 1.53 0.00 -0.20 1.42 119.26 120.53 2cpw h ALA 41 Ca 0.08 0.12 0.12 0.00 0.00 0.00 0.00 54.91 55.23 2cpw h ALA 41 Cb 0.22 1.31 -0.13 0.00 0.00 0.00 0.00 17.79 19.19 2cpw h ALA 41 CO -0.46 -0.94 -0.35 0.77 0.00 0.00 0.00 179.25 178.26 2cpw h SER 42 N -0.05 -1.25 -0.78 0.00 0.02 0.63 0.82 113.55 112.94 2cpw h SER 42 Ca 0.17 0.25 -0.44 0.00 -0.84 0.00 0.00 61.79 60.93 2cpw h SER 42 Cb 0.45 0.63 -0.24 0.00 0.14 0.00 0.00 62.40 63.39 2cpw h SER 42 CO -0.90 -0.30 0.56 0.35 -1.14 0.00 0.00 176.83 175.40 2cpw n THR 43 N -5.44 2.88 0.00 -2.27 -2.24 0.13 -4.97 114.28 102.36 2cpw n THR 43 Ca 0.06 -1.75 0.00 0.00 -2.27 0.00 0.00 64.05 60.09 2cpw n THR 43 Cb 0.37 -0.77 0.00 0.00 -2.10 0.00 0.00 70.33 67.83 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 -0.68 0.93 0.00 3.38 0.00 0.44 -3.97 105.19 105.30 2cpw n GLY 44 Ca 0.48 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.93 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 -1.71 0.52 -0.02 0.00 -1.20 -2.98 105.19 99.80 2cpw n GLY 45 Ca 0.00 0.59 -0.09 0.00 0.00 0.00 0.00 46.02 46.52 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 -4.31 1.61 0.00 -1.25 -5.08 116.66 107.93 2cpw n ARG 46 Ca 0.00 0.13 -0.16 0.00 -0.00 0.00 0.00 57.85 57.81 2cpw n ARG 46 Cb 0.00 -1.03 -0.10 0.00 0.00 0.00 0.00 32.46 31.33 2cpw n ARG 46 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 2cpw s SER 47 N -6.09 1.60 -0.01 6.15 0.01 -1.26 -4.99 113.70 109.10 2cpw s SER 47 Ca -0.18 -1.25 0.08 0.00 1.31 0.00 0.00 55.95 55.92 2cpw s SER 47 Cb 0.04 0.06 -0.23 0.00 0.21 0.00 0.00 66.02 66.10 2cpw s SER 47 CO 0.25 -0.57 0.80 -0.37 0.41 0.00 0.00 173.24 173.76 2cpw h VAL 48 N 2.49 1.05 -0.33 3.43 -1.51 -1.98 -3.33 116.25 116.07 2cpw h VAL 48 Ca -0.38 -2.84 0.07 0.00 -1.23 0.00 0.00 66.70 62.31 2cpw h VAL 48 Cb 1.22 2.56 -0.08 0.00 -2.13 0.00 0.00 31.29 32.86 2cpw h VAL 48 CO 0.64 0.66 -0.39 -0.61 -1.23 0.00 0.00 177.57 176.63 2cpw h GLN 49 N 0.01 -0.33 -0.68 5.19 4.15 -1.97 0.40 115.11 121.88 2cpw h GLN 49 Ca -0.23 0.02 0.08 0.00 0.77 0.00 0.00 58.65 59.29 2cpw h GLN 49 Cb 1.96 0.08 -0.06 0.00 0.21 0.00 0.00 27.48 29.67 2cpw h GLN 49 CO 0.10 -0.22 0.35 0.00 -1.93 0.00 0.00 178.83 177.13 2cpw h THR 50 N -0.35 0.89 -0.06 2.39 1.03 -2.00 -1.62 112.91 113.20 2cpw h THR 50 Ca 0.13 -0.21 0.03 0.00 -0.01 0.00 0.00 66.41 66.35 2cpw h THR 50 Cb 0.58 0.22 -0.03 0.00 -1.07 0.00 0.00 68.15 67.85 2cpw h THR 50 CO -0.51 0.11 -0.10 0.00 -0.01 0.00 0.00 175.52 175.01 2cpw h ALA 51 N 1.39 -0.06 -0.21 0.00 0.00 -1.11 -1.10 119.26 118.17 2cpw h ALA 51 Ca 0.32 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.30 2cpw h ALA 51 Cb 0.29 0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.21 2cpw h ALA 51 CO -0.23 -0.57 -0.54 0.00 0.00 0.00 0.00 179.25 177.90 2cpw h ASP 53 N -0.53 -1.43 0.25 0.00 1.82 -0.92 0.28 116.42 115.88 2cpw h ASP 53 Ca 0.05 0.26 0.01 0.00 -0.39 0.00 0.00 57.03 56.96 2cpw h ASP 53 Cb 0.66 0.69 -0.03 0.00 0.68 0.00 0.00 39.33 41.33 2cpw h ASP 53 CO -0.48 -0.31 -0.34 -0.25 -1.61 0.00 0.00 179.24 176.25 2cpw h TRP 54 N -0.14 -0.92 0.00 0.28 7.01 0.19 1.10 115.95 123.48 2cpw h TRP 54 Ca 0.23 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.25 2cpw h TRP 54 Cb 0.56 0.37 0.00 0.00 -2.10 0.00 0.00 29.16 27.99 2cpw h TRP 54 CO -0.75 -0.47 0.00 1.28 -2.79 0.00 0.00 178.44 175.71 2cpw n LEU 55 N -5.44 0.00 -0.06 0.65 4.77 0.40 -1.28 117.00 116.04 2cpw n LEU 55 Ca -0.08 0.97 -0.07 0.00 -0.03 0.00 0.00 56.01 56.79 2cpw n LEU 55 Cb 0.35 -0.47 -0.01 0.00 -2.33 0.00 0.00 43.42 40.96 2cpw n LEU 55 CO 0.26 -0.47 0.78 -0.26 -1.33 0.00 0.00 177.39 176.37 2cpw h PHE 56 N 0.00 -0.28 -2.45 -1.77 0.04 -0.45 -3.43 116.94 108.61 2cpw h PHE 56 Ca 0.00 0.03 -0.52 0.00 2.80 0.00 0.00 57.97 60.28 2cpw h PHE 56 Cb 0.00 0.16 0.23 0.00 2.20 0.00 0.00 35.95 38.55 2cpw h PHE 56 CO -0.84 -0.18 -1.37 0.43 -0.60 0.00 0.00 178.31 175.74 2cpw n SER 57 N -5.29 -3.59 -2.96 2.17 7.64 0.38 -5.00 113.62 106.97 2cpw n SER 57 Ca -0.01 0.16 0.00 0.00 1.01 0.00 0.00 58.87 60.04 2cpw n SER 57 Cb 0.20 -0.92 0.00 0.00 -1.01 0.00 0.00 64.21 62.48 2cpw n SER 57 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 2cpw s HIS 58 N -2.19 -1.16 -0.12 1.43 -3.43 -1.26 -4.89 115.29 103.67 2cpw s HIS 58 Ca 0.48 0.05 -0.05 0.00 -0.80 0.00 0.00 55.06 54.74 2cpw s HIS 58 Cb -0.14 0.22 0.02 0.00 -1.43 0.00 0.00 32.58 31.24 2cpw s HIS 58 CO 0.72 -0.81 0.10 0.43 -2.00 0.00 0.00 174.74 173.18 2cpw n SER 59 N 3.82 -4.68 -2.64 7.38 7.64 -1.26 -5.05 113.62 118.83 2cpw n SER 59 Ca 0.10 1.11 -0.07 0.00 1.01 0.00 0.00 58.87 61.03 2cpw n SER 59 Cb 0.60 -3.55 0.02 0.00 -1.01 0.00 0.00 64.21 60.27 2cpw n SER 59 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cpw n GLY 60 N 1.81 1.03 3.14 0.23 0.00 -1.26 -5.06 105.19 105.09 2cpw n GLY 60 Ca -0.17 -1.21 -0.40 0.00 0.00 0.00 0.00 46.02 44.23 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 -0.50 2.22 0.09 1.61 -0.04 -1.26 -4.66 135.00 132.47 2cpw n PRO 61 Ca -0.07 -2.42 -0.07 0.00 -0.04 0.00 0.00 63.50 60.90 2cpw n PRO 61 Cb 0.52 -3.27 -0.04 0.00 -0.04 0.00 0.00 33.50 30.68 2cpw n PRO 61 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2cpw h SER 62 N 7.55 -0.28 -5.71 3.54 0.87 -2.03 -3.49 113.55 114.00 2cpw h SER 62 Ca 0.44 -0.09 -0.06 0.00 -1.23 0.00 0.00 61.79 60.85 2cpw h SER 62 Cb 0.74 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.77 2cpw h SER 62 CO 1.74 0.21 -0.93 -0.24 -0.53 0.00 0.00 176.83 177.08 2cpw n SER 63 N -4.99 -7.26 0.00 6.23 2.88 -1.26 -5.28 113.62 103.94 2cpw n SER 63 Ca -0.05 0.73 0.00 0.00 -1.33 0.00 0.00 58.87 58.22 2cpw n SER 63 Cb 0.18 -3.81 0.00 0.00 -0.75 0.00 0.00 64.21 59.82 2cpw n SER 63 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42