#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zza n SER 2 N 0.00 4.82 0.24 1.61 7.64 -1.26 -4.36 113.62 122.30 1zza n SER 2 Ca 0.00 -2.37 0.13 0.00 1.01 0.00 0.00 58.87 57.64 1zza n SER 2 Cb 0.00 -1.24 0.37 0.00 -1.01 0.00 0.00 64.21 62.33 1zza n SER 2 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1zza h MET 3 N 2.78 0.00 0.00 1.43 3.00 -2.04 -3.42 114.93 116.69 1zza h MET 3 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 59.70 59.83 1zza h MET 3 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 31.60 32.88 1zza h MET 3 CO 0.19 0.05 0.00 -1.13 0.00 0.00 0.00 176.91 176.02 1zza n SER 4 N -3.13 0.22 -3.39 -0.10 3.41 -1.26 -5.11 113.62 104.26 1zza n SER 4 Ca 0.02 0.14 -0.10 0.00 -0.26 0.00 0.00 58.87 58.67 1zza n SER 4 Cb 0.46 0.01 0.04 0.00 -0.26 0.00 0.00 64.21 64.46 1zza n SER 4 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1zza n ILE 5 N -2.94 0.00 -3.08 -1.33 -6.64 -1.26 -5.03 119.36 99.07 1zza n ILE 5 Ca 0.00 -0.90 -0.41 0.00 -1.77 0.00 0.00 62.75 59.67 1zza n ILE 5 Cb 0.00 -0.86 -0.00 0.00 -1.44 0.00 0.00 39.64 37.34 1zza n ILE 5 CO 0.00 0.00 0.00 1.15 -1.77 0.00 0.00 176.55 175.93 1zza n MET 6 N -1.69 4.19 0.26 6.28 0.00 -1.26 -4.40 117.12 120.50 1zza n MET 6 Ca 0.08 -4.56 0.17 0.00 0.00 0.00 0.00 57.70 53.39 1zza n MET 6 Cb 0.29 -2.49 0.81 0.00 0.00 0.00 0.00 33.22 31.84 1zza n MET 6 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 175.97 176.35 1zza h ASP 7 N 5.41 0.00 0.51 3.17 2.03 -1.92 -1.52 116.42 124.10 1zza h ASP 7 Ca 0.20 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.50 1zza h ASP 7 Cb 0.64 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.14 1zza h ASP 7 CO 1.25 0.00 0.00 1.41 -1.03 0.00 0.00 179.24 180.87 1zza n HIS 8 N -2.85 0.00 0.39 4.15 8.25 -1.26 -3.94 115.22 119.96 1zza n HIS 8 Ca -0.01 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.28 1zza n HIS 8 Cb 0.19 -0.27 -0.09 0.00 1.12 0.00 0.00 29.99 30.94 1zza n HIS 8 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 1zza h SER 9 N 0.00 -0.83 -3.13 0.41 0.02 -1.68 -3.40 113.55 104.94 1zza h SER 9 Ca 0.00 0.01 -0.57 0.00 -0.84 0.00 0.00 61.79 60.40 1zza h SER 9 Cb 0.25 0.21 -0.05 0.00 0.14 0.00 0.00 62.40 62.96 1zza h SER 9 CO 0.00 -0.55 1.11 -2.16 -1.14 0.00 0.00 176.83 174.09 1zza s PRO 10 N -5.71 3.50 0.17 3.45 0.04 -1.25 -4.90 135.00 130.29 1zza s PRO 10 Ca -0.17 0.98 -0.15 0.00 0.04 0.00 0.00 61.00 61.70 1zza s PRO 10 Cb 0.03 -4.07 0.09 0.00 0.04 0.00 0.00 34.50 30.59 1zza s PRO 10 CO 0.58 -1.66 1.77 1.79 0.04 0.00 0.00 177.00 179.52 1zza h THR 11 N 6.53 0.93 -0.38 1.26 1.35 -1.90 0.64 112.91 121.34 1zza h THR 11 Ca -0.28 -0.13 0.03 0.00 -0.55 0.00 0.00 66.41 65.47 1zza h THR 11 Cb 1.12 0.51 -0.02 0.00 -1.73 0.00 0.00 68.15 68.02 1zza h THR 11 CO 1.09 0.07 0.26 0.71 -0.25 0.00 0.00 175.52 177.39 1zza h THR 12 N 0.39 1.03 0.00 6.82 1.35 -1.96 0.05 112.91 120.59 1zza h THR 12 Ca 0.19 -0.14 -0.00 0.00 -0.55 0.00 0.00 66.41 65.91 1zza h THR 12 Cb 0.13 0.59 0.00 0.00 -1.73 0.00 0.00 68.15 67.13 1zza h THR 12 CO -0.15 0.07 -0.00 1.23 -0.25 0.00 0.00 175.52 176.42 1zza h GLY 13 N 0.41 -0.00 0.00 5.82 0.00 -1.43 -1.01 103.07 106.86 1zza h GLY 13 Ca 0.15 0.00 0.15 0.00 0.00 0.00 0.00 47.33 47.64 1zza h GLY 13 CO -0.04 -0.00 0.19 -2.08 0.00 0.00 0.00 176.54 174.61 1zza h VAL 14 N -0.77 0.56 -0.19 4.60 2.07 0.87 0.37 116.25 123.75 1zza h VAL 14 Ca -0.00 -0.10 -0.15 0.00 0.82 0.00 0.00 66.70 67.27 1zza h VAL 14 Cb 0.76 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 1zza h VAL 14 CO 0.00 0.05 -0.47 -0.37 0.02 0.00 0.00 177.57 176.81 1zza h VAL 15 N 0.30 1.32 -0.03 2.57 -1.51 -1.06 -0.81 116.25 117.03 1zza h VAL 15 Ca 0.40 -1.70 0.01 0.00 -1.23 0.00 0.00 66.70 64.19 1zza h VAL 15 Cb 0.66 1.89 -0.02 0.00 -2.13 0.00 0.00 31.29 31.69 1zza h VAL 15 CO -0.48 0.53 -0.05 0.74 -1.23 0.00 0.00 177.57 177.08 1zza h THR 16 N 0.35 0.85 -0.60 7.19 2.02 0.23 0.35 112.91 123.30 1zza h THR 16 Ca -0.00 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.08 1zza h THR 16 Cb 1.08 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 68.32 1zza h THR 16 CO 0.10 0.00 0.01 -0.37 0.37 0.00 0.00 175.52 175.63 1zza h VAL 17 N -0.08 1.26 -0.45 3.16 -1.51 -0.37 -0.82 116.25 117.44 1zza h VAL 17 Ca 0.03 -1.14 -0.05 0.00 -1.23 0.00 0.00 66.70 64.31 1zza h VAL 17 Cb 0.13 0.79 -0.02 0.00 -2.13 0.00 0.00 31.29 30.06 1zza h VAL 17 CO -0.08 0.41 0.09 0.40 -1.23 0.00 0.00 177.57 177.16 1zza h ILE 18 N 0.97 1.24 -0.86 7.19 1.08 -0.74 0.57 117.51 126.95 1zza h ILE 18 Ca 0.17 -0.87 -0.02 0.00 -0.39 0.00 0.00 64.86 63.75 1zza h ILE 18 Cb 0.55 0.94 -0.04 0.00 -3.07 0.00 0.00 36.82 35.20 1zza h ILE 18 CO 0.03 0.31 0.46 0.58 -0.69 0.00 0.00 178.15 178.83 1zza h VAL 19 N 0.60 1.25 -0.36 1.67 2.07 -0.12 0.44 116.25 121.80 1zza h VAL 19 Ca 0.14 -0.65 -0.14 0.00 0.82 0.00 0.00 66.70 66.87 1zza h VAL 19 Cb 0.36 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 1zza h VAL 19 CO 0.01 0.29 -0.31 0.40 0.02 0.00 0.00 177.57 177.98 1zza h ILE 20 N 1.20 1.28 0.06 4.57 1.08 -0.74 0.48 117.51 125.45 1zza h ILE 20 Ca 0.30 -1.47 -0.00 0.00 -0.39 0.00 0.00 64.86 63.30 1zza h ILE 20 Cb 0.05 1.42 0.00 0.00 -3.07 0.00 0.00 36.82 35.22 1zza h ILE 20 CO -0.05 0.49 -0.03 -0.07 -0.69 0.00 0.00 178.15 177.80 1zza h LEU 21 N 0.64 -0.06 -0.78 1.44 3.38 0.77 0.45 115.31 121.14 1zza h LEU 21 Ca 0.06 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1zza h LEU 21 Cb 0.88 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.62 1zza h LEU 21 CO 0.08 0.05 0.40 0.16 0.09 0.00 0.00 178.44 179.22 1zza h ILE 22 N -0.18 1.24 -0.41 1.22 3.07 -0.11 0.31 117.51 122.66 1zza h ILE 22 Ca -0.01 -0.64 0.00 0.00 1.55 0.00 0.00 64.86 65.77 1zza h ILE 22 Cb 0.15 0.23 -0.02 0.00 -0.27 0.00 0.00 36.82 36.91 1zza h ILE 22 CO 0.01 0.28 0.27 0.00 -1.05 0.00 0.00 178.15 177.66 1zza h ALA 23 N 1.21 0.52 -0.21 0.16 0.00 -0.56 0.39 119.26 120.78 1zza h ALA 23 Ca 0.27 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.15 1zza h ALA 23 Cb 0.08 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1zza h ALA 23 CO -0.04 -0.01 0.11 0.82 0.00 0.00 0.00 179.25 180.13 1zza h ILE 24 N 0.55 1.01 -0.76 0.00 2.04 0.46 0.32 117.51 121.13 1zza h ILE 24 Ca 0.15 -0.08 0.01 0.00 1.00 0.00 0.00 64.86 65.94 1zza h ILE 24 Cb -0.04 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 36.76 1zza h ILE 24 CO -0.03 0.04 0.50 0.00 0.00 0.00 0.00 178.15 178.66 1zza h ALA 25 N 1.10 0.96 -0.37 1.87 0.00 -0.44 0.45 119.26 122.82 1zza h ALA 25 Ca 0.08 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1zza h ALA 25 Cb 0.01 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1zza h ALA 25 CO -0.05 0.38 0.16 0.00 0.00 0.00 0.00 179.25 179.74 1zza h ALA 26 N 1.28 0.48 -0.40 0.00 0.00 0.39 0.33 119.26 121.33 1zza h ALA 26 Ca 0.28 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1zza h ALA 26 Cb -0.12 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1zza h ALA 26 CO -0.06 0.06 0.22 1.25 0.00 0.00 0.00 179.25 180.72 1zza h LEU 27 N 0.46 0.50 -0.48 0.00 6.46 0.23 0.36 115.31 122.83 1zza h LEU 27 Ca 0.13 -0.09 0.02 0.00 -0.12 0.00 0.00 57.88 57.81 1zza h LEU 27 Cb 0.16 -0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 39.93 1zza h LEU 27 CO -0.01 0.45 0.29 1.23 -0.62 0.00 0.00 178.44 179.78 1zza h GLY 28 N 0.52 0.68 0.96 3.75 0.00 0.27 0.12 103.07 109.37 1zza h GLY 28 Ca 0.14 -0.22 -0.02 0.00 0.00 0.00 0.00 47.33 47.24 1zza h GLY 28 CO -0.02 0.19 0.21 0.00 0.00 0.00 0.00 176.54 176.91 1zza h ALA 29 N 1.21 0.58 -0.77 3.60 0.00 0.16 0.37 119.26 124.41 1zza h ALA 29 Ca 0.19 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.05 1zza h ALA 29 Cb 0.01 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.57 1zza h ALA 29 CO -0.09 0.15 0.45 -0.07 0.00 0.00 0.00 179.25 179.69 1zza h LEU 30 N 0.58 0.69 -0.04 0.00 3.38 0.43 0.34 115.31 120.69 1zza h LEU 30 Ca 0.15 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 1zza h LEU 30 Cb 0.13 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 1zza h LEU 30 CO -0.02 0.44 -0.02 0.40 0.09 0.00 0.00 178.44 179.33 1zza h ILE 31 N 0.82 1.35 -0.58 1.22 2.04 -0.24 0.28 117.51 122.39 1zza h ILE 31 Ca 0.34 -1.07 0.09 0.00 1.00 0.00 0.00 64.86 65.22 1zza h ILE 31 Cb 0.20 1.99 -0.07 0.00 -0.74 0.00 0.00 36.82 38.20 1zza h ILE 31 CO -0.18 0.29 0.20 -0.07 0.00 0.00 0.00 178.15 178.39 1zza h LEU 32 N -0.34 0.18 -0.35 1.44 3.38 0.30 0.21 115.31 120.13 1zza h LEU 32 Ca 0.01 0.08 -0.17 0.00 0.09 0.00 0.00 57.88 57.89 1zza h LEU 32 Cb 0.48 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 1zza h LEU 32 CO 0.01 0.11 -0.43 1.23 0.09 0.00 0.00 178.44 179.45 1zza h GLY 33 N 0.37 0.99 0.96 0.83 0.00 -0.28 0.43 103.07 106.38 1zza h GLY 33 Ca 0.29 -1.06 -0.02 0.00 0.00 0.00 0.00 47.33 46.54 1zza h GLY 33 CO -0.31 0.96 0.19 0.00 0.00 0.00 0.00 176.54 177.38 1zza n TRP 35 N -4.65 -1.54 0.00 0.00 -0.00 0.64 -5.04 117.44 106.85 1zza n TRP 35 Ca 0.01 -1.27 0.00 0.00 -0.00 0.00 0.00 57.50 56.23 1zza n TRP 35 Cb 0.13 1.30 0.00 0.00 -0.00 0.00 0.00 31.31 32.74 1zza n TRP 35 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1zza n TYR 37 N 0.00 -2.47 0.10 0.00 9.36 -1.26 -3.92 117.16 118.97 1zza n TYR 37 Ca 0.00 0.41 0.00 0.00 3.32 0.00 0.00 57.90 61.63 1zza n TYR 37 Cb 0.00 1.30 0.00 0.00 -0.63 0.00 0.00 39.34 40.01 1zza n TYR 37 CO 0.00 0.00 0.00 -0.11 0.22 0.00 0.00 176.86 176.97 1zza n LEU 38 N -2.81 0.02 0.00 2.98 7.94 -1.24 -4.98 117.00 118.91 1zza n LEU 38 Ca 0.00 0.33 0.00 0.00 -1.11 0.00 0.00 56.01 55.23 1zza n LEU 38 Cb 0.00 0.22 0.00 0.00 0.53 0.00 0.00 43.42 44.17 1zza n LEU 38 CO 0.00 -0.72 0.00 0.54 -1.11 0.00 0.00 177.39 176.10 1zza n ARG 39 N -3.25 0.00 -0.20 1.96 1.74 -1.26 -5.00 116.66 110.65 1zza n ARG 39 Ca 0.00 0.00 0.08 0.00 -0.77 0.00 0.00 57.85 57.16 1zza n ARG 39 Cb 0.00 0.00 0.11 0.00 -1.02 0.00 0.00 32.46 31.55 1zza n ARG 39 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1zza n LEU 40 N 0.00 1.84 -2.17 0.55 4.77 -1.26 -4.77 117.00 115.95 1zza n LEU 40 Ca 0.00 -2.66 -0.28 0.00 -0.03 0.00 0.00 56.01 53.04 1zza n LEU 40 Cb 0.00 -0.34 0.08 0.00 -2.33 0.00 0.00 43.42 40.84 1zza n LEU 40 CO 0.00 0.64 1.35 0.00 -1.33 0.00 0.00 177.39 178.05 1zza n GLN 41 N -1.09 2.36 -0.00 3.23 0.00 -1.26 -2.71 117.38 117.91 1zza n GLN 41 Ca 0.13 -2.74 -0.02 0.00 0.00 0.00 0.00 57.00 54.37 1zza n GLN 41 Cb 0.66 -2.07 -0.01 0.00 0.00 0.00 0.00 30.24 28.82 1zza n GLN 41 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 1zza n ARG 42 N -0.60 0.12 -0.05 2.61 3.00 -1.26 -4.89 116.66 115.59 1zza n ARG 42 Ca 0.53 0.05 -0.19 0.00 -0.00 0.00 0.00 57.85 58.24 1zza n ARG 42 Cb 0.78 -0.58 -0.13 0.00 0.00 0.00 0.00 32.46 32.53 1zza n ARG 42 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.63 178.07 1zza n ILE 43 N -3.28 1.64 -3.54 5.15 -5.35 -1.26 -4.98 119.36 107.74 1zza n ILE 43 Ca -0.03 -0.64 -0.01 0.00 -0.27 0.00 0.00 62.75 61.80 1zza n ILE 43 Cb 0.12 -1.52 -0.05 0.00 -1.74 0.00 0.00 39.64 36.44 1zza n ILE 43 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 1zza s SER 44 N -6.73 -0.57 0.87 7.28 0.01 -1.26 -5.16 113.70 108.14 1zza s SER 44 Ca -0.26 0.85 -0.11 0.00 1.31 0.00 0.00 55.95 57.74 1zza s SER 44 Cb 0.08 1.45 0.12 0.00 0.21 0.00 0.00 66.02 67.87 1zza s SER 44 CO 0.71 -0.13 1.10 -1.10 0.41 0.00 0.00 173.24 174.23 1zza s GLN 45 N 1.88 1.42 -0.27 12.44 -0.21 -1.10 -4.68 119.66 129.14 1zza s GLN 45 Ca -0.06 1.15 0.05 0.00 0.02 0.00 0.00 55.36 56.52 1zza s GLN 45 Cb -0.05 -1.80 0.19 0.00 1.00 0.00 0.00 33.01 32.34 1zza s GLN 45 CO -0.16 -2.23 1.09 0.43 -2.12 0.00 0.00 175.29 172.30 1zza n SER 46 N -3.92 -1.11 -4.75 5.90 7.64 -1.26 -5.05 113.62 111.07 1zza n SER 46 Ca 0.09 -1.79 -0.23 0.00 1.01 0.00 0.00 58.87 57.95 1zza n SER 46 Cb 0.53 0.72 -0.06 0.00 -1.01 0.00 0.00 64.21 64.39 1zza n SER 46 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1zza s GLU 47 N 0.08 2.40 -1.22 1.43 8.01 -1.26 -5.02 118.70 123.12 1zza s GLU 47 Ca 0.08 -1.56 -0.21 0.00 0.01 0.00 0.00 54.97 53.29 1zza s GLU 47 Cb 0.20 -2.19 -0.04 0.00 -4.31 0.00 0.00 34.13 27.79 1zza s GLU 47 CO -0.05 0.06 1.87 -0.51 0.01 0.00 0.00 175.26 176.64 1zza s ASP 48 N -3.89 5.63 -1.08 -0.19 1.01 -1.26 -4.85 116.67 112.05 1zza s ASP 48 Ca 0.39 -1.93 -0.11 0.00 0.71 0.00 0.00 52.55 51.61 1zza s ASP 48 Cb -0.02 -2.59 0.25 0.00 1.01 0.00 0.00 42.92 41.57 1zza s ASP 48 CO 0.23 -2.45 1.11 -1.61 0.21 0.00 0.00 175.17 172.66 1zza s GLU 49 N 5.72 4.07 0.27 8.23 0.41 -1.26 -5.00 118.70 131.14 1zza s GLU 49 Ca 0.64 -2.95 0.01 0.00 -0.41 0.00 0.00 54.97 52.25 1zza s GLU 49 Cb 0.01 -4.63 -0.00 0.00 -1.78 0.00 0.00 34.13 27.73 1zza s GLU 49 CO 0.11 -1.35 0.02 -1.91 -0.49 0.00 0.00 175.26 171.65 1zza n GLU 50 N 3.49 1.17 0.00 1.61 0.00 -1.26 -4.88 120.64 120.77 1zza n GLU 50 Ca 0.24 -2.01 0.00 0.00 0.00 0.00 0.00 57.16 55.40 1zza n GLU 50 Cb 0.41 0.68 0.00 0.00 0.00 0.00 0.00 31.44 32.53 1zza n GLU 50 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1zza n SER 51 N -1.33 0.46 -0.03 4.31 2.88 -1.26 -4.74 113.62 113.90 1zza n SER 51 Ca -0.09 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.30 1zza n SER 51 Cb 0.35 0.01 -0.12 0.00 -0.75 0.00 0.00 64.21 63.70 1zza n SER 51 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 1zza h ILE 52 N 0.00 1.62 0.30 2.46 2.04 -2.01 -3.35 117.51 118.57 1zza h ILE 52 Ca 0.00 -2.05 0.00 0.00 1.00 0.00 0.00 64.86 63.81 1zza h ILE 52 Cb 0.11 2.96 -0.03 0.00 -0.74 0.00 0.00 36.82 39.12 1zza h ILE 52 CO 0.00 0.55 -0.37 0.58 0.00 0.00 0.00 178.15 178.91 1zza h VAL 53 N -0.66 0.23 -0.24 1.67 2.07 -2.01 -3.21 116.25 114.09 1zza h VAL 53 Ca -0.03 0.00 -0.59 0.00 0.82 0.00 0.00 66.70 66.91 1zza h VAL 53 Cb 1.00 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 1zza h VAL 53 CO 0.04 0.00 2.15 0.61 0.02 0.00 0.00 177.57 180.38 1zza n GLY 54 N -1.47 2.55 0.00 2.17 0.00 -1.26 -4.86 105.19 102.33 1zza n GLY 54 Ca -0.09 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.71 1zza n GLY 54 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1zza n ASP 55 N 9.06 1.60 0.00 1.61 -0.08 -1.22 -4.48 116.55 123.04 1zza n ASP 55 Ca 0.49 -0.28 0.00 0.00 -1.51 0.00 0.00 54.79 53.49 1zza n ASP 55 Cb 0.42 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.88 1zza n ASP 55 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1zza n GLY 56 N 5.00 0.82 2.73 0.27 0.00 -1.26 -4.52 105.19 108.22 1zza n GLY 56 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1zza n GLY 56 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1zza n GLU 57 N 0.00 -1.56 -3.68 1.61 4.71 -1.26 -4.70 120.64 115.76 1zza n GLU 57 Ca 0.00 0.80 -0.14 0.00 -0.01 0.00 0.00 57.16 57.81 1zza n GLU 57 Cb 0.00 -5.13 -0.08 0.00 -1.01 0.00 0.00 31.44 25.22 1zza n GLU 57 CO 0.00 0.00 0.00 -0.08 0.09 0.00 0.00 177.13 177.14 1zza s THR 58 N -1.89 0.01 -0.06 2.62 -1.32 -1.26 -4.96 115.64 108.79 1zza s THR 58 Ca 0.00 -0.12 -0.01 0.00 -1.21 0.00 0.00 61.69 60.35 1zza s THR 58 Cb 0.00 -0.75 0.03 0.00 -1.51 0.00 0.00 72.50 70.27 1zza s THR 58 CO 0.00 -0.07 0.02 -0.75 -2.21 0.00 0.00 174.62 171.62 1zza s LYS 59 N -0.44 0.32 0.47 7.08 2.20 -1.26 -4.23 119.74 123.88 1zza s LYS 59 Ca -0.06 0.20 -0.24 0.00 -0.36 0.00 0.00 55.97 55.52 1zza s LYS 59 Cb -0.03 -0.75 -0.07 0.00 -1.51 0.00 0.00 37.83 35.46 1zza s LYS 59 CO 0.04 -0.30 1.31 -1.21 -0.36 0.00 0.00 175.35 174.83 1zza s GLU 60 N 1.95 3.62 -0.64 4.03 8.01 -1.26 -4.83 118.70 129.58 1zza s GLU 60 Ca 0.03 2.13 -0.05 0.00 0.01 0.00 0.00 54.97 57.10 1zza s GLU 60 Cb -0.12 -2.51 -0.06 0.00 -4.31 0.00 0.00 34.13 27.13 1zza s GLU 60 CO -0.04 -0.77 1.98 -0.35 0.01 0.00 0.00 175.26 176.10 1zza n PRO 61 N -0.41 1.66 -1.16 0.39 -0.04 -1.26 -4.92 135.00 129.25 1zza n PRO 61 Ca 0.07 -1.17 -0.35 0.00 -0.04 0.00 0.00 63.50 62.01 1zza n PRO 61 Cb 0.45 -2.27 0.10 0.00 -0.04 0.00 0.00 33.50 31.74 1zza n PRO 61 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1zza n PHE 62 N 3.99 0.09 -0.17 0.54 3.72 -1.26 -4.58 117.46 119.79 1zza n PHE 62 Ca 0.35 0.36 0.01 0.00 -0.05 0.00 0.00 57.45 58.13 1zza n PHE 62 Cb 0.18 -1.99 0.28 0.00 -0.94 0.00 0.00 39.48 37.01 1zza n PHE 62 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1zza h LEU 63 N -0.69 0.78 0.72 4.37 3.38 -1.95 0.43 115.31 122.36 1zza h LEU 63 Ca -0.46 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.46 1zza h LEU 63 Cb 1.32 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1zza h LEU 63 CO 0.43 0.56 -0.40 0.25 0.09 0.00 0.00 178.44 179.37 1zza h LEU 64 N 0.92 -0.99 -1.00 1.67 7.12 -1.89 0.39 115.31 121.53 1zza h LEU 64 Ca 0.25 0.05 -0.10 0.00 0.13 0.00 0.00 57.88 58.21 1zza h LEU 64 Cb -0.10 0.28 -0.01 0.00 -0.53 0.00 0.00 40.66 40.29 1zza h LEU 64 CO -0.05 -0.65 -0.43 -0.37 -0.13 0.00 0.00 178.44 176.81 1zza h VAL 65 N -1.05 1.32 0.45 1.05 -1.51 -1.87 0.14 116.25 114.79 1zza h VAL 65 Ca -0.09 -1.53 -0.02 0.00 -1.23 0.00 0.00 66.70 63.82 1zza h VAL 65 Cb 0.83 1.74 0.00 0.00 -2.13 0.00 0.00 31.29 31.73 1zza h VAL 65 CO 0.12 0.45 -0.22 -0.61 -1.23 0.00 0.00 177.57 176.09 1zza h GLN 66 N 0.13 -0.59 -0.63 5.19 5.75 0.15 0.33 115.11 125.44 1zza h GLN 66 Ca 0.01 0.04 -0.03 0.00 -0.15 0.00 0.00 58.65 58.52 1zza h GLN 66 Cb 0.81 0.13 -0.03 0.00 1.07 0.00 0.00 27.48 29.47 1zza h GLN 66 CO 0.06 -0.32 0.28 -0.92 -2.65 0.00 0.00 178.83 175.29 1zza h TYR 67 N -0.76 0.93 -0.70 3.99 5.03 -0.17 0.48 116.97 125.77 1zza h TYR 67 Ca -0.06 -0.06 0.09 0.00 2.58 0.00 0.00 58.73 61.28 1zza h TYR 67 Cb 0.54 -0.28 -0.04 0.00 1.55 0.00 0.00 36.73 38.49 1zza h TYR 67 CO -0.01 0.72 0.46 0.77 -1.32 0.00 0.00 178.16 178.78 1zza h SER 68 N 0.88 0.56 0.09 -2.11 0.02 -0.56 0.32 113.55 112.75 1zza h SER 68 Ca 0.21 0.01 -0.35 0.00 -0.84 0.00 0.00 61.79 60.82 1zza h SER 68 Cb 0.15 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.56 1zza h SER 68 CO -0.02 0.35 -1.97 0.00 -1.14 0.00 0.00 176.83 174.04 1zza n ALA 69 N -2.47 0.95 -0.13 3.77 0.00 0.09 -4.18 120.51 118.54 1zza n ALA 69 Ca 0.11 -0.65 -0.10 0.00 0.00 0.00 0.00 53.44 52.80 1zza n ALA 69 Cb 0.31 -0.57 -0.01 0.00 0.00 0.00 0.00 19.45 19.17 1zza n ALA 69 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1zza h LYS 70 N -0.11 0.64 -0.28 0.00 1.79 0.11 0.57 116.57 119.29 1zza h LYS 70 Ca -0.44 -0.17 0.03 0.00 -2.18 0.00 0.00 60.65 57.89 1zza h LYS 70 Cb 1.91 -0.07 -0.05 0.00 -1.58 0.00 0.00 32.23 32.43 1zza h LYS 70 CO 0.01 0.70 -0.36 0.78 -1.08 0.00 0.00 179.45 179.50 1zza h GLY 71 N 0.49 -1.36 1.18 3.86 0.00 -0.55 1.40 103.07 108.08 1zza h GLY 71 Ca 0.12 0.77 -0.10 0.00 0.00 0.00 0.00 47.33 48.12 1zza h GLY 71 CO 0.01 -0.35 -0.07 -0.56 0.00 0.00 0.00 176.54 175.57 1zza h PRO 72 N -0.24 0.97 -0.59 4.80 0.13 -1.72 0.17 132.00 135.52 1zza h PRO 72 Ca 0.05 -0.33 -0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1zza h PRO 72 Cb 0.37 -0.08 -0.03 0.00 0.13 0.00 0.00 31.00 31.40 1zza h PRO 72 CO -0.39 1.00 0.37 0.00 -0.23 0.00 0.00 178.00 178.75 1zza h VAL 74 N 0.80 1.41 -0.19 0.00 2.07 0.20 -1.14 116.25 119.40 1zza h VAL 74 Ca 0.21 -1.25 0.02 0.00 0.82 0.00 0.00 66.70 66.50 1zza h VAL 74 Cb -0.04 2.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 1zza h VAL 74 CO -0.04 0.33 0.13 -0.08 0.02 0.00 0.00 177.57 177.93 1zza h GLU 75 N -0.45 0.15 -0.00 1.57 4.81 -0.47 0.53 114.58 120.72 1zza h GLU 75 Ca 0.00 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1zza h GLU 75 Cb 0.55 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.90 1zza h GLU 75 CO 0.01 0.10 -0.10 -0.09 -0.73 0.00 0.00 179.01 178.20 1zza h ARG 76 N 0.16 0.07 0.00 1.92 9.65 -0.09 -1.46 114.38 124.63 1zza h ARG 76 Ca 0.08 -0.07 -0.07 0.00 -1.10 0.00 0.00 59.98 58.82 1zza h ARG 76 Cb 0.12 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.71 1zza h ARG 76 CO -0.01 0.82 -0.32 1.57 2.80 0.00 0.00 179.97 184.82 1zza h LYS 77 N -0.65 0.00 0.09 0.20 5.09 -0.76 0.12 116.57 120.67 1zza h LYS 77 Ca -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 60.65 60.72 1zza h LYS 77 Cb 0.85 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.18 1zza h LYS 77 CO 0.02 0.32 -0.05 0.00 -2.09 0.00 0.00 179.45 177.66 1zza h ALA 78 N 1.68 -0.13 0.00 0.07 0.00 0.03 -0.43 119.26 120.48 1zza h ALA 78 Ca -0.00 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 1zza h ALA 78 Cb 0.71 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1zza h ALA 78 CO 0.04 -0.27 -0.20 1.57 0.00 0.00 0.00 179.25 180.39 1zza h LYS 79 N -0.72 0.00 0.13 0.00 2.10 -1.17 0.22 116.57 117.13 1zza h LYS 79 Ca -0.01 0.00 -0.30 0.00 -2.00 0.00 0.00 60.65 58.33 1zza h LYS 79 Cb 0.56 0.00 0.03 0.00 -0.90 0.00 0.00 32.23 31.92 1zza h LYS 79 CO 0.02 0.20 -1.27 1.25 -2.00 0.00 0.00 179.45 177.65 1zza h LEU 80 N 0.00 0.88 0.00 7.07 5.85 -0.73 -3.36 115.31 125.03 1zza h LEU 80 Ca -0.00 -0.82 -0.00 0.00 0.84 0.00 0.00 57.88 57.89 1zza h LEU 80 Cb 0.58 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.33 1zza h LEU 80 CO 0.03 1.63 -0.00 -0.03 -0.34 0.00 0.00 178.44 179.72 1zza h MET 81 N 0.27 -0.00 -6.89 1.25 4.05 -0.85 -3.45 114.93 109.31 1zza h MET 81 Ca -0.20 0.00 -0.47 0.00 -0.28 0.00 0.00 59.70 58.76 1zza h MET 81 Cb 1.94 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 32.73 1zza h MET 81 CO 0.24 0.88 0.35 -0.08 0.23 0.00 0.00 176.91 178.53 1zza s THR 82 N -2.52 4.21 -1.65 -0.77 -1.32 0.75 -4.92 115.64 109.42 1zza s THR 82 Ca -0.18 1.81 0.20 0.00 -1.21 0.00 0.00 61.69 62.31 1zza s THR 82 Cb -0.02 -3.99 0.44 0.00 -1.51 0.00 0.00 72.50 67.42 1zza s THR 82 CO 0.67 0.12 1.63 -0.81 -2.21 0.00 0.00 174.62 174.02 1zza n PRO 83 N 0.51 0.42 -1.51 7.08 -0.04 -1.26 -4.61 135.00 135.60 1zza n PRO 83 Ca 0.02 0.06 -0.17 0.00 -0.04 0.00 0.00 63.50 63.37 1zza n PRO 83 Cb 0.50 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.39 1zza n PRO 83 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1zza n ASN 84 N -1.18 -5.27 -3.31 3.54 4.05 -1.26 -4.91 115.26 106.91 1zza n ASN 84 Ca 0.12 0.43 -0.09 0.00 0.45 0.00 0.00 54.58 55.49 1zza n ASN 84 Cb 0.13 -4.31 -0.06 0.00 1.23 0.00 0.00 39.78 36.76 1zza n ASN 84 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 177.26 173.38 1zza s GLY 85 N -2.75 -0.54 0.01 8.20 0.00 -1.26 -5.01 107.32 105.97 1zza s GLY 85 Ca 0.00 0.30 0.04 0.00 0.00 0.00 0.00 44.72 45.07 1zza s GLY 85 CO 0.00 2.99 1.14 -1.55 0.00 0.00 0.00 173.10 175.68 1zza n PRO 86 N 5.35 0.01 0.28 2.90 -0.04 -1.25 -2.46 135.00 139.79 1zza n PRO 86 Ca -0.00 0.44 0.13 0.00 -0.04 0.00 0.00 63.50 64.03 1zza n PRO 86 Cb 0.49 -1.52 0.82 0.00 -0.04 0.00 0.00 33.50 33.25 1zza n PRO 86 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1zza h GLU 87 N 0.00 0.00 0.00 0.54 3.07 -1.99 -3.14 114.58 113.06 1zza h GLU 87 Ca 0.00 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.82 1zza h GLU 87 Cb 0.06 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.97 1zza h GLU 87 CO 0.00 0.03 -1.36 1.55 -1.40 0.00 0.00 179.01 177.83 1zza n VAL 88 N -3.97 0.17 -3.76 3.13 3.14 -1.03 -5.04 118.33 110.97 1zza n VAL 88 Ca -0.03 -0.20 -0.13 0.00 -2.96 0.00 0.00 64.34 61.02 1zza n VAL 88 Cb 0.11 -0.12 -0.10 0.00 -1.06 0.00 0.00 33.84 32.67 1zza n VAL 88 CO 0.00 0.00 0.00 -2.28 -6.46 0.00 0.00 176.83 168.09 1zza s HIS 89 N -2.34 -0.34 -2.62 1.45 5.65 -1.19 -5.14 115.29 110.76 1zza s HIS 89 Ca -0.03 0.81 0.27 0.00 0.25 0.00 0.00 55.06 56.37 1zza s HIS 89 Cb 0.03 0.12 0.84 0.00 -1.18 0.00 0.00 32.58 32.40 1zza s HIS 89 CO 0.27 -0.21 1.63 0.41 -0.65 0.00 0.00 174.74 176.19