#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 0.00 -0.17 1.61 2.88 -1.26 -1.60 113.62 115.08 1zza n SER 2 Ca 0.00 0.00 0.16 0.00 -1.33 0.00 0.00 58.87 57.70 1zza n SER 2 Cb 0.00 0.00 0.52 0.00 -0.75 0.00 0.00 64.21 63.98 1zza n SER 2 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1zza h MET 3 N 0.00 0.38 -2.31 -1.46 3.00 -2.05 -0.58 114.93 111.91 1zza h MET 3 Ca 0.00 -0.02 -0.41 0.00 0.00 0.00 0.00 59.70 59.27 1zza h MET 3 Cb 0.00 -0.09 -0.06 0.00 0.00 0.00 0.00 31.60 31.45 1zza h MET 3 CO 0.00 0.25 1.07 0.45 0.00 0.00 0.00 176.91 178.68 1zza n SER 4 N -4.47 6.58 -0.01 -0.10 2.88 -0.63 -4.69 113.62 113.18 1zza n SER 4 Ca 0.15 -2.67 -0.00 0.00 -1.33 0.00 0.00 58.87 55.01 1zza n SER 4 Cb 0.56 -1.42 -0.00 0.00 -0.75 0.00 0.00 64.21 62.59 1zza n SER 4 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 1zza n ILE 5 N 2.47 -0.02 -3.39 2.46 -0.00 -0.23 0.23 119.36 120.88 1zza n ILE 5 Ca 0.55 0.48 -0.44 0.00 -0.00 0.00 0.00 62.75 63.33 1zza n ILE 5 Cb 0.63 -0.63 -0.06 0.00 -0.00 0.00 0.00 39.64 39.59 1zza n ILE 5 CO 0.00 0.00 0.00 -0.04 -0.00 0.00 0.00 176.55 176.51 1zza s MET 6 N -3.23 2.92 0.60 6.28 -1.94 -1.26 0.15 119.30 122.81 1zza s MET 6 Ca -0.00 -1.84 0.31 0.00 -1.71 0.00 0.00 55.69 52.45 1zza s MET 6 Cb 0.00 -4.20 1.82 0.00 2.01 0.00 0.00 34.83 34.46 1zza s MET 6 CO 0.02 -1.29 2.19 -0.44 -0.01 0.00 0.00 175.02 175.50 1zza h ASP 7 N 8.59 0.00 -0.30 3.03 3.32 -1.80 0.14 116.42 129.39 1zza h ASP 7 Ca -0.22 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.65 1zza h ASP 7 Cb 1.08 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.54 1zza h ASP 7 CO 0.95 0.00 0.23 1.41 -1.72 0.00 0.00 179.24 180.11 1zza n HIS 8 N -3.71 0.95 -3.89 4.55 8.25 -1.26 -4.85 115.22 115.27 1zza n HIS 8 Ca -0.01 -1.25 -0.09 0.00 -0.26 0.00 0.00 57.72 56.11 1zza n HIS 8 Cb 0.19 -0.62 -0.08 0.00 1.12 0.00 0.00 29.99 30.60 1zza n HIS 8 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1zza s SER 9 N 0.57 0.14 -0.01 0.41 1.04 0.49 -5.02 113.70 111.32 1zza s SER 9 Ca 0.18 -0.58 0.01 0.00 0.48 0.00 0.00 55.95 56.05 1zza s SER 9 Cb 0.15 0.29 0.03 0.00 0.10 0.00 0.00 66.02 66.59 1zza s SER 9 CO 0.02 -0.63 0.74 -0.81 0.98 0.00 0.00 173.24 173.54 1zza n PRO 10 N 0.32 1.13 0.30 4.02 -0.04 -1.26 -4.27 135.00 135.20 1zza n PRO 10 Ca -0.17 -0.12 -0.12 0.00 -0.04 0.00 0.00 63.50 63.05 1zza n PRO 10 Cb 0.61 -1.32 -0.06 0.00 -0.04 0.00 0.00 33.50 32.68 1zza n PRO 10 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1zza h THR 11 N 0.17 0.00 -0.26 0.52 1.35 -1.96 0.73 112.91 113.46 1zza h THR 11 Ca 0.00 -0.08 -0.03 0.00 -0.55 0.00 0.00 66.41 65.75 1zza h THR 11 Cb 0.35 0.00 -0.01 0.00 -1.73 0.00 0.00 68.15 66.75 1zza h THR 11 CO 0.01 0.00 0.04 0.74 -0.25 0.00 0.00 175.52 176.06 1zza h THR 12 N -0.86 1.14 0.18 6.82 2.02 -1.84 0.28 112.91 120.66 1zza h THR 12 Ca -0.08 -0.52 -0.01 0.00 0.77 0.00 0.00 66.41 66.58 1zza h THR 12 Cb 0.59 0.90 0.00 0.00 -1.74 0.00 0.00 68.15 67.90 1zza h THR 12 CO 0.13 0.18 -0.09 1.23 0.37 0.00 0.00 175.52 177.34 1zza h GLY 13 N 0.63 -0.26 1.35 2.16 0.00 -1.76 0.26 103.07 105.45 1zza h GLY 13 Ca 0.09 0.10 -0.03 0.00 0.00 0.00 0.00 47.33 47.49 1zza h GLY 13 CO -0.00 -0.09 0.25 -2.08 0.00 0.00 0.00 176.54 174.62 1zza h VAL 14 N -0.68 1.20 -0.35 4.60 2.07 0.73 -0.65 116.25 123.18 1zza h VAL 14 Ca -0.03 -0.62 -0.09 0.00 0.82 0.00 0.00 66.70 66.79 1zza h VAL 14 Cb 0.48 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 1zza h VAL 14 CO 0.04 0.25 -0.11 0.58 0.02 0.00 0.00 177.57 178.35 1zza h VAL 15 N 0.84 1.28 0.16 2.57 2.07 -0.36 0.99 116.25 123.80 1zza h VAL 15 Ca 0.20 -1.20 -0.01 0.00 0.82 0.00 0.00 66.70 66.52 1zza h VAL 15 Cb 0.14 1.34 -0.00 0.00 -1.52 0.00 0.00 31.29 31.24 1zza h VAL 15 CO -0.02 0.39 -0.10 0.74 0.02 0.00 0.00 177.57 178.60 1zza h THR 16 N 0.48 0.80 -0.60 2.57 2.02 0.05 0.29 112.91 118.51 1zza h THR 16 Ca 0.08 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.20 1zza h THR 16 Cb 0.63 0.80 -0.03 0.00 -1.74 0.00 0.00 68.15 67.81 1zza h THR 16 CO 0.04 0.00 0.12 -0.37 0.37 0.00 0.00 175.52 175.68 1zza h VAL 17 N -0.25 1.25 -0.55 3.16 -1.51 -1.10 -0.13 116.25 117.11 1zza h VAL 17 Ca -0.02 -0.93 -0.08 0.00 -1.23 0.00 0.00 66.70 64.45 1zza h VAL 17 Cb 0.21 0.66 -0.02 0.00 -2.13 0.00 0.00 31.29 30.00 1zza h VAL 17 CO 0.02 0.35 0.04 0.40 -1.23 0.00 0.00 177.57 177.14 1zza h ILE 18 N 0.90 1.25 -0.10 7.19 2.04 -0.39 0.46 117.51 128.86 1zza h ILE 18 Ca 0.19 -1.02 -0.02 0.00 1.00 0.00 0.00 64.86 65.00 1zza h ILE 18 Cb 0.36 0.79 -0.00 0.00 -0.74 0.00 0.00 36.82 37.23 1zza h ILE 18 CO 0.00 0.37 -0.03 0.58 0.00 0.00 0.00 178.15 179.08 1zza h VAL 19 N 0.85 1.29 -0.24 1.67 2.07 0.09 0.54 116.25 122.52 1zza h VAL 19 Ca 0.17 -0.96 -0.11 0.00 0.82 0.00 0.00 66.70 66.62 1zza h VAL 19 Cb 0.45 1.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 1zza h VAL 19 CO 0.02 0.27 -0.30 0.16 0.02 0.00 0.00 177.57 177.74 1zza h ILE 20 N -0.12 1.28 -0.23 4.57 3.07 -0.85 0.11 117.51 125.34 1zza h ILE 20 Ca 0.03 -1.37 -0.13 0.00 1.55 0.00 0.00 64.86 64.93 1zza h ILE 20 Cb 0.44 1.42 -0.00 0.00 -0.27 0.00 0.00 36.82 38.41 1zza h ILE 20 CO 0.01 0.43 -0.38 0.17 -1.05 0.00 0.00 178.15 177.33 1zza h LEU 21 N 0.43 0.73 -0.60 0.16 8.10 0.04 0.22 115.31 124.39 1zza h LEU 21 Ca 0.06 -0.53 -0.00 0.00 0.11 0.00 0.00 57.88 57.52 1zza h LEU 21 Cb 0.74 -0.21 -0.03 0.00 -0.44 0.00 0.00 40.66 40.72 1zza h LEU 21 CO 0.06 1.12 0.37 0.40 -4.11 0.00 0.00 178.44 176.27 1zza h ILE 22 N 0.37 1.17 -0.28 0.15 2.04 0.31 0.24 117.51 121.51 1zza h ILE 22 Ca 0.02 -0.38 -0.02 0.00 1.00 0.00 0.00 64.86 65.48 1zza h ILE 22 Cb 0.97 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 1zza h ILE 22 CO 0.09 0.18 0.10 0.00 0.00 0.00 0.00 178.15 178.51 1zza h ALA 23 N 1.19 0.36 -0.30 1.87 0.00 -0.64 0.33 119.26 122.06 1zza h ALA 23 Ca 0.22 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1zza h ALA 23 Cb -0.03 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1zza h ALA 23 CO -0.04 -0.02 0.18 0.82 0.00 0.00 0.00 179.25 180.20 1zza h ILE 24 N 0.29 1.05 -0.53 0.00 1.08 -0.10 0.44 117.51 119.75 1zza h ILE 24 Ca 0.09 -0.13 -0.02 0.00 -0.39 0.00 0.00 64.86 64.41 1zza h ILE 24 Cb 0.22 0.64 -0.02 0.00 -3.07 0.00 0.00 36.82 34.58 1zza h ILE 24 CO -0.00 0.07 0.26 0.00 -0.69 0.00 0.00 178.15 177.78 1zza h ALA 25 N 1.13 0.68 -0.64 1.87 0.00 -0.33 0.29 119.26 122.25 1zza h ALA 25 Ca 0.12 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1zza h ALA 25 Cb -0.01 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1zza h ALA 25 CO -0.05 0.24 0.32 0.00 0.00 0.00 0.00 179.25 179.76 1zza h ALA 26 N 1.10 0.82 -0.29 0.00 0.00 0.17 0.29 119.26 121.36 1zza h ALA 26 Ca 0.18 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1zza h ALA 26 Cb 0.11 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1zza h ALA 26 CO -0.02 0.38 0.11 1.25 0.00 0.00 0.00 179.25 180.96 1zza h LEU 27 N 0.88 0.40 -0.53 0.00 6.46 0.35 0.45 115.31 123.32 1zza h LEU 27 Ca 0.22 -0.17 0.02 0.00 -0.12 0.00 0.00 57.88 57.83 1zza h LEU 27 Cb 0.10 -0.10 -0.03 0.00 -0.73 0.00 0.00 40.66 39.89 1zza h LEU 27 CO -0.03 0.47 0.32 1.23 -0.62 0.00 0.00 178.44 179.81 1zza h GLY 28 N 0.31 0.75 0.95 3.75 0.00 -0.01 0.29 103.07 109.12 1zza h GLY 28 Ca 0.10 -0.24 -0.04 0.00 0.00 0.00 0.00 47.33 47.15 1zza h GLY 28 CO -0.01 0.21 0.13 0.00 0.00 0.00 0.00 176.54 176.87 1zza h ALA 29 N 1.23 0.58 -0.86 3.60 0.00 -0.06 0.31 119.26 124.07 1zza h ALA 29 Ca 0.21 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.97 1zza h ALA 29 Cb 0.02 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.59 1zza h ALA 29 CO -0.09 0.24 0.55 -0.07 0.00 0.00 0.00 179.25 179.88 1zza h LEU 30 N 0.58 0.92 0.01 0.00 3.38 0.61 0.41 115.31 121.21 1zza h LEU 30 Ca 0.14 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 1zza h LEU 30 Cb 0.29 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1zza h LEU 30 CO -0.00 0.63 -0.00 0.40 0.09 0.00 0.00 178.44 179.56 1zza h ILE 31 N 1.08 1.34 -0.75 1.22 1.08 0.00 0.28 117.51 121.75 1zza h ILE 31 Ca 0.34 -1.04 0.07 0.00 -0.39 0.00 0.00 64.86 63.83 1zza h ILE 31 Cb 0.00 2.05 -0.06 0.00 -3.07 0.00 0.00 36.82 35.74 1zza h ILE 31 CO -0.11 0.27 0.44 0.25 -0.69 0.00 0.00 178.15 178.30 1zza h LEU 32 N -0.46 0.66 -0.43 1.44 5.85 -0.03 0.11 115.31 122.45 1zza h LEU 32 Ca -0.00 0.03 -0.16 0.00 0.84 0.00 0.00 57.88 58.59 1zza h LEU 32 Cb 0.45 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 1zza h LEU 32 CO 0.00 0.41 -0.41 1.23 -0.34 0.00 0.00 178.44 179.34 1zza h GLY 33 N 0.79 0.95 0.96 3.75 0.00 -0.14 0.48 103.07 109.85 1zza h GLY 33 Ca 0.34 -0.98 -0.00 0.00 0.00 0.00 0.00 47.33 46.69 1zza h GLY 33 CO -0.19 0.88 0.12 0.00 0.00 0.00 0.00 176.54 177.35 1zza n TRP 35 N -4.90 -1.28 0.00 0.00 -0.00 -0.07 -5.07 117.44 106.12 1zza n TRP 35 Ca -0.03 -1.15 0.00 0.00 -0.00 0.00 0.00 57.50 56.32 1zza n TRP 35 Cb 0.06 1.27 0.00 0.00 -0.00 0.00 0.00 31.31 32.64 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 -2.90 -0.78 0.00 9.36 -1.26 -3.47 117.16 118.11 1zza n TYR 37 Ca 0.00 0.66 0.08 0.00 3.32 0.00 0.00 57.90 61.96 1zza n TYR 37 Cb 0.00 1.77 0.27 0.00 -0.63 0.00 0.00 39.34 40.75 1zza n TYR 37 CO 0.00 0.00 0.00 1.47 0.22 0.00 0.00 176.86 178.55 1zza n LEU 38 N -3.01 4.02 -3.45 2.98 -0.00 -1.26 -4.98 117.00 111.30 1zza n LEU 38 Ca 0.00 -2.75 -0.16 0.00 -0.00 0.00 0.00 56.01 53.10 1zza n LEU 38 Cb 0.00 -0.50 -0.04 0.00 -0.00 0.00 0.00 43.42 42.87 1zza n LEU 38 CO 0.00 0.70 -0.22 -2.11 -0.00 0.00 0.00 177.39 175.75 1zza n ARG 39 N 0.01 -0.94 -4.24 1.47 1.85 -1.16 0.07 116.66 113.72 1zza n ARG 39 Ca 0.21 0.02 -0.31 0.00 -1.00 0.00 0.00 57.85 56.76 1zza n ARG 39 Cb 0.84 -1.68 -0.07 0.00 -1.05 0.00 0.00 32.46 30.50 1zza n ARG 39 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1zza n LEU 40 N -2.80 -1.32 -1.84 2.89 4.77 -1.26 -4.76 117.00 112.68 1zza n LEU 40 Ca -0.15 -1.19 -0.02 0.00 -0.03 0.00 0.00 56.01 54.62 1zza n LEU 40 Cb 0.34 -1.79 -0.03 0.00 -2.33 0.00 0.00 43.42 39.61 1zza n LEU 40 CO 0.42 0.41 0.79 0.00 -1.33 0.00 0.00 177.39 177.68 1zza n GLN 41 N -4.47 0.80 0.06 3.23 6.02 0.11 -2.84 117.38 120.29 1zza n GLN 41 Ca -0.25 -0.18 0.00 0.00 -0.01 0.00 0.00 57.00 56.56 1zza n GLN 41 Cb 0.66 -1.37 0.00 0.00 1.02 0.00 0.00 30.24 30.55 1zza n GLN 41 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 1zza n ARG 42 N 1.98 0.00 -0.12 -1.09 3.00 -1.26 -4.98 116.66 114.20 1zza n ARG 42 Ca 0.08 0.00 -0.16 0.00 -0.00 0.00 0.00 57.85 57.77 1zza n ARG 42 Cb 0.39 0.00 -0.12 0.00 0.00 0.00 0.00 32.46 32.73 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 -2.89 1.37 -1.31 5.15 -5.35 -1.25 -5.10 119.36 109.97 1zza n ILE 43 Ca 0.00 -0.56 0.00 0.00 -0.27 0.00 0.00 62.75 61.92 1zza n ILE 43 Cb 0.00 -1.25 0.00 0.00 -1.74 0.00 0.00 39.64 36.65 1zza n ILE 43 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 1zza n SER 44 N -3.15 -3.76 -4.69 7.28 2.88 -1.13 -5.11 113.62 105.95 1zza n SER 44 Ca -0.41 0.43 -0.32 0.00 -1.33 0.00 0.00 58.87 57.24 1zza n SER 44 Cb 0.97 -1.98 -0.08 0.00 -0.75 0.00 0.00 64.21 62.38 1zza n SER 44 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1zza s GLN 45 N -1.69 2.14 -0.08 -1.46 -0.21 -1.26 -5.08 119.66 112.02 1zza s GLN 45 Ca 0.00 -2.34 -0.23 0.00 0.02 0.00 0.00 55.36 52.81 1zza s GLN 45 Cb 0.00 -1.48 -0.19 0.00 1.00 0.00 0.00 33.01 32.35 1zza s GLN 45 CO 0.00 -0.32 0.81 0.66 -2.12 0.00 0.00 175.29 174.32 1zza h SER 46 N 1.45 -0.07 -4.37 5.90 4.64 -2.03 -3.48 113.55 115.59 1zza h SER 46 Ca -0.43 -0.58 -0.37 0.00 -0.47 0.00 0.00 61.79 59.94 1zza h SER 46 Cb 1.30 0.02 -0.06 0.00 -0.31 0.00 0.00 62.40 63.35 1zza h SER 46 CO 0.74 0.63 -0.25 1.21 -0.87 0.00 0.00 176.83 178.30 1zza n GLU 47 N -4.78 1.21 -1.41 4.77 0.00 -1.26 -5.08 120.64 114.09 1zza n GLU 47 Ca -0.08 -2.11 0.18 0.00 0.00 0.00 0.00 57.16 55.15 1zza n GLU 47 Cb 0.31 0.47 -0.06 0.00 0.00 0.00 0.00 31.44 32.17 1zza n GLU 47 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1zza n ASP 48 N -1.39 -8.42 0.19 4.31 2.03 -1.26 -5.01 116.55 107.00 1zza n ASP 48 Ca -0.09 0.84 0.00 0.00 0.52 0.00 0.00 54.79 56.06 1zza n ASP 48 Cb 0.37 -4.44 0.00 0.00 -0.72 0.00 0.00 41.12 36.33 1zza n ASP 48 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1zza n GLU 49 N -4.23 0.00 -3.81 -0.67 0.00 -1.26 -4.87 120.64 105.80 1zza n GLU 49 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 57.16 56.77 1zza n GLU 49 Cb 0.65 0.00 -0.13 0.00 0.00 0.00 0.00 31.44 31.96 1zza n GLU 49 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 1zza s GLU 50 N -1.98 2.84 0.00 5.31 2.56 -1.26 -4.39 118.70 121.78 1zza s GLU 50 Ca 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 54.97 53.96 1zza s GLU 50 Cb 0.00 -3.30 0.00 0.00 2.00 0.00 0.00 34.13 32.83 1zza s GLU 50 CO 0.00 -0.52 0.00 -1.13 -0.56 0.00 0.00 175.26 173.05 1zza n SER 51 N 4.79 0.00 -0.00 -1.70 3.41 -1.25 -4.79 113.62 114.08 1zza n SER 51 Ca -0.14 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.35 1zza n SER 51 Cb 0.46 0.41 -0.06 0.00 -0.26 0.00 0.00 64.21 64.77 1zza n SER 51 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1zza h ILE 52 N 0.00 0.16 0.06 -1.33 2.04 -1.96 -1.42 117.51 115.05 1zza h ILE 52 Ca 0.00 0.00 -0.28 0.00 1.00 0.00 0.00 64.86 65.58 1zza h ILE 52 Cb 0.00 0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 36.21 1zza h ILE 52 CO 0.00 0.00 -1.50 1.62 0.00 0.00 0.00 178.15 178.27 1zza h VAL 53 N -0.48 1.14 -2.43 1.67 3.04 -1.94 -3.38 116.25 113.87 1zza h VAL 53 Ca 0.08 -2.87 -0.71 0.00 -1.01 0.00 0.00 66.70 62.19 1zza h VAL 53 Cb 0.62 2.66 -0.34 0.00 -2.01 0.00 0.00 31.29 32.21 1zza h VAL 53 CO -0.39 0.75 0.21 0.61 -1.01 0.00 0.00 177.57 177.73 1zza n GLY 54 N 1.59 5.44 0.00 3.17 0.00 -1.14 -5.02 105.19 109.22 1zza n GLY 54 Ca -0.14 -2.70 0.00 0.00 0.00 0.00 0.00 46.02 43.18 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 0.51 0.00 0.00 1.61 -0.08 -0.55 -3.75 116.55 114.29 1zza n ASP 55 Ca 0.33 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.61 1zza n ASP 55 Cb 0.34 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.80 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 4.53 2.46 0.27 0.00 -1.26 -4.89 105.19 111.30 1zza n GLY 56 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.21 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 1.38 -4.02 1.61 1.02 -1.26 -5.01 120.64 114.36 1zza n GLU 57 Ca 0.00 -3.17 -0.33 0.00 -0.02 0.00 0.00 57.16 53.65 1zza n GLU 57 Cb 0.00 -1.25 -0.03 0.00 -0.02 0.00 0.00 31.44 30.14 1zza n GLU 57 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 1zza n THR 58 N -0.35 -1.48 -1.73 2.62 5.66 -1.26 -4.69 114.28 113.05 1zza n THR 58 Ca 0.08 -0.45 -0.18 0.00 -3.05 0.00 0.00 64.05 60.45 1zza n THR 58 Cb 0.89 -1.32 -0.07 0.00 -1.55 0.00 0.00 70.33 68.28 1zza n THR 58 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 1zza s LYS 59 N -6.86 1.86 -0.47 1.09 2.20 -1.26 -4.89 119.74 111.41 1zza s LYS 59 Ca 0.20 0.10 -0.16 0.00 -0.36 0.00 0.00 55.97 55.76 1zza s LYS 59 Cb -0.11 -4.90 0.07 0.00 -1.51 0.00 0.00 37.83 31.37 1zza s LYS 59 CO 0.82 -4.24 0.41 -2.00 -0.36 0.00 0.00 175.35 169.98 1zza s GLU 60 N 8.22 2.99 0.21 4.03 -6.30 -1.26 -4.82 118.70 121.77 1zza s GLU 60 Ca 0.84 -1.30 0.01 0.00 -2.50 0.00 0.00 54.97 52.02 1zza s GLU 60 Cb -0.10 -4.12 0.19 0.00 0.00 0.00 0.00 34.13 30.10 1zza s GLU 60 CO 0.07 -1.03 1.53 -1.00 0.02 0.00 0.00 175.26 174.85 1zza h PRO 61 N 8.77 0.39 -0.80 4.30 0.13 -1.97 -3.16 132.00 139.66 1zza h PRO 61 Ca -0.28 -0.26 -0.02 0.00 -0.87 0.00 0.00 66.00 64.57 1zza h PRO 61 Cb 1.11 0.03 -0.04 0.00 0.13 0.00 0.00 31.00 32.24 1zza h PRO 61 CO 0.88 0.86 0.42 0.35 -0.23 0.00 0.00 178.00 180.28 1zza h PHE 62 N 0.30 1.10 -0.95 1.56 3.57 -1.98 -2.30 116.94 118.23 1zza h PHE 62 Ca -0.00 -0.03 0.18 0.00 3.53 0.00 0.00 57.97 61.65 1zza h PHE 62 Cb 1.10 -0.35 -0.08 0.00 2.79 0.00 0.00 35.95 39.40 1zza h PHE 62 CO 0.03 0.77 0.61 -0.07 -2.23 0.00 0.00 178.31 177.42 1zza h LEU 63 N 1.12 0.63 0.33 0.59 3.38 -1.97 0.68 115.31 120.07 1zza h LEU 63 Ca 0.28 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.30 1zza h LEU 63 Cb 0.05 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1zza h LEU 63 CO -0.04 0.26 -0.16 0.25 0.09 0.00 0.00 178.44 178.84 1zza h LEU 64 N 0.63 -0.38 -1.12 1.67 6.46 -1.54 0.83 115.31 121.87 1zza h LEU 64 Ca 0.51 -0.03 -0.09 0.00 -0.12 0.00 0.00 57.88 58.15 1zza h LEU 64 Cb 0.95 0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 40.97 1zza h LEU 64 CO -0.27 -0.22 -0.35 0.58 -0.62 0.00 0.00 178.44 177.57 1zza h VAL 65 N -0.51 1.28 0.10 1.05 2.07 -1.25 0.42 116.25 119.41 1zza h VAL 65 Ca -0.05 -1.33 0.00 0.00 0.82 0.00 0.00 66.70 66.15 1zza h VAL 65 Cb 0.39 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 1zza h VAL 65 CO 0.08 0.39 -0.09 1.56 0.02 0.00 0.00 177.57 179.53 1zza h GLN 66 N 0.14 -0.19 -0.27 1.57 4.20 0.71 0.71 115.11 121.98 1zza h GLN 66 Ca 0.02 0.01 -0.10 0.00 0.06 0.00 0.00 58.65 58.64 1zza h GLN 66 Cb 0.69 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.51 1zza h GLN 66 CO 0.05 -0.13 -0.21 -0.92 -0.67 0.00 0.00 178.83 176.96 1zza h TYR 67 N -0.20 0.72 -0.81 2.96 3.20 -0.58 0.33 116.97 122.59 1zza h TYR 67 Ca 0.00 -0.20 0.02 0.00 3.14 0.00 0.00 58.73 61.69 1zza h TYR 67 Cb 0.19 -0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.26 1zza h TYR 67 CO -0.10 0.90 0.54 1.03 -1.64 0.00 0.00 178.16 178.88 1zza h SER 68 N 0.34 0.90 0.12 -2.11 0.87 0.14 0.42 113.55 114.23 1zza h SER 68 Ca 0.05 -0.02 -0.27 0.00 -1.23 0.00 0.00 61.79 60.33 1zza h SER 68 Cb 0.75 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 62.49 1zza h SER 68 CO 0.05 0.63 -1.35 0.00 -0.53 0.00 0.00 176.83 175.64 1zza h ALA 69 N 1.51 0.14 -0.26 6.23 0.00 0.54 -3.36 119.26 124.06 1zza h ALA 69 Ca 0.31 -1.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.16 1zza h ALA 69 Cb -0.04 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1zza h ALA 69 CO -0.08 0.77 0.09 0.87 0.00 0.00 0.00 179.25 180.90 1zza h LYS 70 N -0.31 0.39 -0.44 0.00 1.57 -0.20 0.14 116.57 117.72 1zza h LYS 70 Ca -0.29 -0.08 0.04 0.00 -1.87 0.00 0.00 60.65 58.45 1zza h LYS 70 Cb 1.75 -0.06 -0.06 0.00 0.08 0.00 0.00 32.23 33.95 1zza h LYS 70 CO 0.07 0.46 -0.30 0.78 -0.57 0.00 0.00 179.45 179.89 1zza h GLY 71 N 0.25 -1.70 1.04 3.86 0.00 -0.32 1.94 103.07 108.14 1zza h GLY 71 Ca 0.08 0.94 -0.12 0.00 0.00 0.00 0.00 47.33 48.23 1zza h GLY 71 CO -0.00 -0.47 -0.21 -0.56 0.00 0.00 0.00 176.54 175.30 1zza h PRO 72 N -0.05 0.87 -0.97 4.80 0.13 -1.70 0.15 132.00 135.24 1zza h PRO 72 Ca 0.07 -0.38 0.04 0.00 -0.87 0.00 0.00 66.00 64.86 1zza h PRO 72 Cb 0.23 -0.02 -0.06 0.00 0.13 0.00 0.00 31.00 31.28 1zza h PRO 72 CO -0.44 1.03 0.63 0.00 -0.23 0.00 0.00 178.00 178.99 1zza h VAL 74 N 1.20 1.54 -0.72 0.00 2.07 0.32 -1.31 116.25 119.36 1zza h VAL 74 Ca 0.39 -1.81 0.09 0.00 0.82 0.00 0.00 66.70 66.20 1zza h VAL 74 Cb 0.05 2.70 -0.07 0.00 -1.52 0.00 0.00 31.29 32.45 1zza h VAL 74 CO -0.13 0.49 0.36 -0.08 0.02 0.00 0.00 177.57 178.23 1zza h GLU 75 N -0.55 0.59 -0.10 1.57 4.22 -0.33 0.42 114.58 120.40 1zza h GLU 75 Ca -0.02 -0.04 -0.01 0.00 0.08 0.00 0.00 59.36 59.38 1zza h GLU 75 Cb 0.88 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.99 1zza h GLU 75 CO 0.03 0.39 0.02 0.00 -2.18 0.00 0.00 179.01 177.27 1zza h ARG 76 N 0.61 0.16 -0.23 1.92 -0.00 -0.04 0.37 114.38 117.18 1zza h ARG 76 Ca 0.35 -0.04 -0.03 0.00 -0.50 0.00 0.00 59.98 59.77 1zza h ARG 76 Cb 0.37 -0.02 -0.01 0.00 0.00 0.00 0.00 29.97 30.31 1zza h ARG 76 CO -0.27 0.34 0.02 1.57 0.00 0.00 0.00 179.97 181.63 1zza h LYS 77 N -0.05 0.33 -0.16 0.04 5.09 -0.48 0.46 116.57 121.80 1zza h LYS 77 Ca 0.03 -0.05 -0.14 0.00 0.09 0.00 0.00 60.65 60.58 1zza h LYS 77 Cb 0.25 -0.06 0.00 0.00 0.10 0.00 0.00 32.23 32.53 1zza h LYS 77 CO 0.00 0.34 -0.44 0.00 -2.09 0.00 0.00 179.45 177.27 1zza h ALA 78 N 1.70 0.27 -0.19 0.07 0.00 0.22 -0.26 119.26 121.06 1zza h ALA 78 Ca 0.08 -0.47 -0.11 0.00 0.00 0.00 0.00 54.91 54.41 1zza h ALA 78 Cb 0.19 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1zza h ALA 78 CO 0.00 0.40 -0.35 0.87 0.00 0.00 0.00 179.25 180.17 1zza h LYS 79 N 0.22 0.40 -0.02 0.00 1.79 0.34 0.27 116.57 119.58 1zza h LYS 79 Ca -0.01 -0.18 -0.18 0.00 -2.18 0.00 0.00 60.65 58.10 1zza h LYS 79 Cb 1.05 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.68 1zza h LYS 79 CO 0.09 0.70 -0.78 1.25 -1.08 0.00 0.00 179.45 179.63 1zza h LEU 80 N 0.34 0.25 0.12 2.94 5.85 -0.03 -3.31 115.31 121.47 1zza h LEU 80 Ca 0.04 -0.18 -0.25 0.00 0.84 0.00 0.00 57.88 58.33 1zza h LEU 80 Cb 0.78 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.74 1zza h LEU 80 CO 0.06 0.93 -1.24 -0.03 -0.34 0.00 0.00 178.44 177.83 1zza h MET 81 N 0.12 0.25 -7.25 1.25 4.05 -0.84 -3.47 114.93 109.04 1zza h MET 81 Ca -0.03 -0.42 -0.45 0.00 -0.28 0.00 0.00 59.70 58.51 1zza h MET 81 Cb 1.37 0.16 0.08 0.00 -0.80 0.00 0.00 31.60 32.41 1zza h MET 81 CO 0.12 1.20 0.20 0.95 0.23 0.00 0.00 176.91 179.61 1zza s THR 82 N -2.46 2.31 -2.00 -0.77 -4.23 0.94 -4.95 115.64 104.48 1zza s THR 82 Ca -0.18 -0.32 0.20 0.00 -1.18 0.00 0.00 61.69 60.21 1zza s THR 82 Cb 0.03 -2.99 0.56 0.00 1.34 0.00 0.00 72.50 71.45 1zza s THR 82 CO 0.78 0.00 1.63 -0.81 -0.54 0.00 0.00 174.62 175.68 1zza n PRO 83 N -2.87 0.79 -0.30 3.99 -0.04 -1.26 -4.07 135.00 131.23 1zza n PRO 83 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 1zza n PRO 83 Cb 0.60 -1.39 0.00 0.00 -0.04 0.00 0.00 33.50 32.67 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 -0.89 3.41 0.20 3.54 4.05 -1.26 -4.28 115.26 120.03 1zza n ASN 84 Ca 0.15 -1.88 -0.09 0.00 0.45 0.00 0.00 54.58 53.21 1zza n ASN 84 Cb 0.07 -0.71 -0.04 0.00 1.23 0.00 0.00 39.78 40.32 1zza n ASN 84 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 177.26 175.44 1zza h GLY 85 N 3.34 -0.59 1.64 8.20 0.00 -1.71 -3.21 103.07 110.74 1zza h GLY 85 Ca 0.00 0.22 -0.15 0.00 0.00 0.00 0.00 47.33 47.40 1zza h GLY 85 CO 0.00 -0.22 -0.56 -0.56 0.00 0.00 0.00 176.54 175.21 1zza h PRO 86 N -1.06 0.38 -0.99 4.80 0.13 -1.93 0.87 132.00 134.20 1zza h PRO 86 Ca -0.06 -0.24 0.18 0.00 -0.87 0.00 0.00 66.00 65.02 1zza h PRO 86 Cb 0.43 0.03 -0.10 0.00 0.13 0.00 0.00 31.00 31.49 1zza h PRO 86 CO 0.10 0.83 0.59 0.93 -0.23 0.00 0.00 178.00 180.22 1zza h GLU 87 N 0.29 0.73 0.00 0.86 3.07 -1.84 -2.07 114.58 115.62 1zza h GLU 87 Ca 0.00 -0.04 -0.02 0.00 -0.50 0.00 0.00 59.36 58.80 1zza h GLU 87 Cb 1.07 -0.17 -0.00 0.00 -0.84 0.00 0.00 28.75 28.81 1zza h GLU 87 CO 0.09 0.48 -1.86 1.55 -1.40 0.00 0.00 179.01 177.88 1zza n VAL 88 N -4.78 0.06 -3.33 3.13 3.14 -1.17 -5.03 118.33 110.36 1zza n VAL 88 Ca 0.22 -0.44 -0.16 0.00 -2.96 0.00 0.00 64.34 61.01 1zza n VAL 88 Cb 0.55 0.05 0.08 0.00 -1.06 0.00 0.00 33.84 33.45 1zza n VAL 88 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 1zza n HIS 89 N -2.17 -2.30 0.00 1.45 8.25 0.30 -5.10 115.22 115.66 1zza n HIS 89 Ca -0.05 0.89 0.00 0.00 -0.26 0.00 0.00 57.72 58.31 1zza n HIS 89 Cb 0.51 -4.60 0.00 0.00 1.12 0.00 0.00 29.99 27.02 1zza n HIS 89 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39