#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 -3.43 1.61 3.41 0.22 -0.57 113.62 114.86 1zza n SER 2 Ca 0.00 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.35 1zza n SER 2 Cb 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 63.86 1zza n SER 2 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1zza n MET 3 N -0.77 1.39 -0.60 4.33 0.00 -1.26 -2.71 117.12 117.49 1zza n MET 3 Ca 0.00 -3.90 0.06 0.00 0.00 0.00 0.00 57.70 53.87 1zza n MET 3 Cb 0.00 -1.82 0.19 0.00 0.00 0.00 0.00 33.22 31.60 1zza n MET 3 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 1zza n SER 4 N 1.60 1.72 0.00 7.83 7.64 -1.26 -4.86 113.62 126.29 1zza n SER 4 Ca 0.25 -3.75 0.00 0.00 1.01 0.00 0.00 58.87 56.38 1zza n SER 4 Cb 0.45 -0.51 0.00 0.00 -1.01 0.00 0.00 64.21 63.14 1zza n SER 4 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 1zza n ILE 5 N -1.06 0.00 -1.18 0.44 -0.00 -1.26 -4.90 119.36 111.40 1zza n ILE 5 Ca 0.18 0.00 -0.29 0.00 -0.00 0.00 0.00 62.75 62.64 1zza n ILE 5 Cb 0.71 0.00 0.08 0.00 -0.00 0.00 0.00 39.64 40.42 1zza n ILE 5 CO 0.00 0.00 0.00 0.23 -0.00 0.00 0.00 176.55 176.78 1zza n MET 6 N 0.00 2.40 0.24 6.28 2.81 -1.26 -4.60 117.12 122.99 1zza n MET 6 Ca 0.00 -2.78 0.07 0.00 -1.81 0.00 0.00 57.70 53.19 1zza n MET 6 Cb 0.00 -2.09 0.61 0.00 -0.71 0.00 0.00 33.22 31.03 1zza n MET 6 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 1zza h ASP 7 N 1.75 0.03 -0.93 7.83 5.19 -1.90 -2.15 116.42 126.25 1zza h ASP 7 Ca 0.52 -0.00 -0.56 0.00 -0.62 0.00 0.00 57.03 56.37 1zza h ASP 7 Cb 1.01 -0.01 -0.29 0.00 0.18 0.00 0.00 39.33 40.22 1zza h ASP 7 CO 1.32 0.05 0.60 1.41 -3.12 0.00 0.00 179.24 179.50 1zza n HIS 8 N -4.50 2.95 -3.61 4.55 8.25 -1.26 -4.98 115.22 116.62 1zza n HIS 8 Ca -0.03 -2.38 -0.36 0.00 -0.26 0.00 0.00 57.72 54.69 1zza n HIS 8 Cb 0.11 -1.10 -0.06 0.00 1.12 0.00 0.00 29.99 30.07 1zza n HIS 8 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1zza s SER 9 N -1.79 6.66 1.02 0.41 0.15 -0.81 -5.08 113.70 114.26 1zza s SER 9 Ca 0.59 0.79 -0.13 0.00 0.70 0.00 0.00 55.95 57.90 1zza s SER 9 Cb 0.48 -2.18 0.20 0.00 -1.71 0.00 0.00 66.02 62.81 1zza s SER 9 CO 0.04 0.28 1.10 -2.16 1.20 0.00 0.00 173.24 173.70 1zza s PRO 10 N -1.42 0.25 0.32 5.44 0.04 -1.26 -4.35 135.00 134.02 1zza s PRO 10 Ca 0.26 0.38 0.07 0.00 0.04 0.00 0.00 61.00 61.76 1zza s PRO 10 Cb -0.15 -1.73 0.77 0.00 0.04 0.00 0.00 34.50 33.43 1zza s PRO 10 CO 0.14 -2.82 1.81 0.00 0.04 0.00 0.00 177.00 176.17 1zza h THR 11 N -1.95 0.77 -0.52 1.26 1.03 -1.98 0.95 112.91 112.47 1zza h THR 11 Ca -0.53 -0.26 -0.07 0.00 -0.01 0.00 0.00 66.41 65.54 1zza h THR 11 Cb 1.33 -0.05 -0.02 0.00 -1.07 0.00 0.00 68.15 68.34 1zza h THR 11 CO 0.56 0.14 0.04 0.71 -0.01 0.00 0.00 175.52 176.95 1zza h THR 12 N 0.75 1.26 0.05 0.00 1.35 -1.98 0.60 112.91 114.94 1zza h THR 12 Ca 0.53 -1.02 -0.00 0.00 -0.55 0.00 0.00 66.41 65.36 1zza h THR 12 Cb 0.83 0.91 0.00 0.00 -1.73 0.00 0.00 68.15 68.16 1zza h THR 12 CO -0.30 0.36 -0.02 1.23 -0.25 0.00 0.00 175.52 176.54 1zza h GLY 13 N 0.76 -0.07 0.40 5.82 0.00 -1.15 0.14 103.07 108.97 1zza h GLY 13 Ca 0.15 0.03 0.12 0.00 0.00 0.00 0.00 47.33 47.63 1zza h GLY 13 CO 0.02 -0.03 0.52 -2.08 0.00 0.00 0.00 176.54 174.98 1zza h VAL 14 N -0.58 0.85 -0.30 4.60 2.07 0.85 0.26 116.25 124.00 1zza h VAL 14 Ca -0.01 -0.28 -0.13 0.00 0.82 0.00 0.00 66.70 67.10 1zza h VAL 14 Cb 0.51 -0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.25 1zza h VAL 14 CO 0.01 0.15 -0.33 0.58 0.02 0.00 0.00 177.57 178.00 1zza h VAL 15 N 0.81 1.30 0.09 2.57 2.07 -0.81 -0.45 116.25 121.83 1zza h VAL 15 Ca 0.46 -1.50 0.00 0.00 0.82 0.00 0.00 66.70 66.48 1zza h VAL 15 Cb 0.51 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 1zza h VAL 15 CO -0.29 0.49 -0.09 0.74 0.02 0.00 0.00 177.57 178.43 1zza h THR 16 N 0.52 0.79 -0.43 2.57 2.02 0.86 0.30 112.91 119.54 1zza h THR 16 Ca 0.04 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.15 1zza h THR 16 Cb 0.91 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 68.09 1zza h THR 16 CO 0.08 0.00 -0.04 -0.37 0.37 0.00 0.00 175.52 175.56 1zza h VAL 17 N -0.20 1.24 -0.58 3.16 -1.51 -0.56 -0.64 116.25 117.16 1zza h VAL 17 Ca 0.01 -1.02 -0.10 0.00 -1.23 0.00 0.00 66.70 64.35 1zza h VAL 17 Cb 0.20 0.96 -0.02 0.00 -2.13 0.00 0.00 31.29 30.29 1zza h VAL 17 CO -0.03 0.35 -0.04 0.40 -1.23 0.00 0.00 177.57 177.02 1zza h ILE 18 N 0.67 1.27 -0.46 7.19 2.04 -0.57 0.47 117.51 128.12 1zza h ILE 18 Ca 0.13 -1.20 -0.05 0.00 1.00 0.00 0.00 64.86 64.74 1zza h ILE 18 Cb 0.48 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 1zza h ILE 18 CO 0.02 0.43 0.10 0.58 0.00 0.00 0.00 178.15 179.28 1zza h VAL 19 N 0.94 1.24 -0.25 1.67 2.07 -0.07 0.52 116.25 122.36 1zza h VAL 19 Ca 0.16 -0.85 -0.02 0.00 0.82 0.00 0.00 66.70 66.81 1zza h VAL 19 Cb 0.60 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 1zza h VAL 19 CO 0.04 0.30 0.09 0.40 0.02 0.00 0.00 177.57 178.42 1zza h ILE 20 N 0.62 1.19 -0.11 4.57 2.04 -0.81 0.11 117.51 125.12 1zza h ILE 20 Ca 0.14 -0.58 0.01 0.00 1.00 0.00 0.00 64.86 65.43 1zza h ILE 20 Cb 0.34 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 1zza h ILE 20 CO 0.00 0.19 0.05 -0.07 0.00 0.00 0.00 178.15 178.33 1zza h LEU 21 N 0.25 0.08 -0.81 1.44 3.38 0.19 0.33 115.31 120.17 1zza h LEU 21 Ca 0.08 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.13 1zza h LEU 21 Cb 0.21 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 40.89 1zza h LEU 21 CO -0.00 0.06 0.48 0.40 0.09 0.00 0.00 178.44 179.46 1zza h ILE 22 N 0.11 0.97 -0.30 1.22 2.04 0.28 0.40 117.51 122.24 1zza h ILE 22 Ca 0.04 -0.29 -0.04 0.00 1.00 0.00 0.00 64.86 65.57 1zza h ILE 22 Cb 0.01 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.13 1zza h ILE 22 CO -0.03 0.15 0.04 0.00 0.00 0.00 0.00 178.15 178.31 1zza h ALA 23 N 1.41 0.40 -0.39 1.87 0.00 -0.02 0.37 119.26 122.90 1zza h ALA 23 Ca 0.37 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1zza h ALA 23 Cb 0.25 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1zza h ALA 23 CO -0.20 0.10 0.26 0.82 0.00 0.00 0.00 179.25 180.22 1zza h ILE 24 N 0.31 1.10 -0.17 0.00 2.04 0.49 0.27 117.51 121.57 1zza h ILE 24 Ca 0.09 -0.19 -0.00 0.00 1.00 0.00 0.00 64.86 65.75 1zza h ILE 24 Cb 0.36 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 1zza h ILE 24 CO 0.01 0.10 0.09 0.00 0.00 0.00 0.00 178.15 178.35 1zza h ALA 25 N 1.14 0.22 -0.62 1.87 0.00 -0.02 0.31 119.26 122.16 1zza h ALA 25 Ca 0.14 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.02 1zza h ALA 25 Cb -0.06 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1zza h ALA 25 CO -0.03 -0.25 0.38 0.00 0.00 0.00 0.00 179.25 179.35 1zza h ALA 26 N 0.98 0.80 -0.32 0.00 0.00 0.14 0.46 119.26 121.32 1zza h ALA 26 Ca 0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1zza h ALA 26 Cb 0.07 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1zza h ALA 26 CO -0.01 0.11 0.17 1.25 0.00 0.00 0.00 179.25 180.77 1zza h LEU 27 N 0.74 0.42 -0.76 0.00 6.46 -0.06 0.25 115.31 122.36 1zza h LEU 27 Ca 0.25 -0.11 0.01 0.00 -0.12 0.00 0.00 57.88 57.91 1zza h LEU 27 Cb 0.04 -0.11 -0.04 0.00 -0.73 0.00 0.00 40.66 39.82 1zza h LEU 27 CO -0.11 0.40 0.50 1.23 -0.62 0.00 0.00 178.44 179.85 1zza h GLY 28 N 0.39 1.07 0.96 3.75 0.00 0.44 0.19 103.07 109.87 1zza h GLY 28 Ca 0.11 -0.40 -0.03 0.00 0.00 0.00 0.00 47.33 47.02 1zza h GLY 28 CO -0.02 0.39 0.18 0.00 0.00 0.00 0.00 176.54 177.09 1zza h ALA 29 N 1.28 0.61 -0.88 3.60 0.00 0.38 0.38 119.26 124.63 1zza h ALA 29 Ca 0.28 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1zza h ALA 29 Cb -0.12 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.45 1zza h ALA 29 CO -0.06 0.22 0.54 -0.07 0.00 0.00 0.00 179.25 179.88 1zza h LEU 30 N 0.61 1.05 -0.08 0.00 3.38 0.18 0.27 115.31 120.72 1zza h LEU 30 Ca 0.15 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1zza h LEU 30 Cb 0.21 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 1zza h LEU 30 CO -0.01 0.80 -0.02 0.40 0.09 0.00 0.00 178.44 179.70 1zza h ILE 31 N 1.21 1.31 -0.29 1.22 2.04 -0.12 0.75 117.51 123.63 1zza h ILE 31 Ca 0.32 -0.98 0.04 0.00 1.00 0.00 0.00 64.86 65.24 1zza h ILE 31 Cb -0.06 1.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.79 1zza h ILE 31 CO -0.06 0.27 0.07 -0.07 0.00 0.00 0.00 178.15 178.36 1zza h LEU 32 N -0.20 0.04 -1.08 1.44 4.07 0.10 0.34 115.31 120.01 1zza h LEU 32 Ca 0.02 0.04 -0.06 0.00 0.08 0.00 0.00 57.88 57.96 1zza h LEU 32 Cb 0.44 0.05 -0.02 0.00 1.08 0.00 0.00 40.66 42.21 1zza h LEU 32 CO 0.01 0.06 0.02 1.23 -1.08 0.00 0.00 178.44 178.68 1zza h GLY 33 N 0.18 0.72 2.00 0.83 0.00 -0.41 0.17 103.07 106.56 1zza h GLY 33 Ca 0.13 -0.44 -0.20 0.00 0.00 0.00 0.00 47.33 46.82 1zza h GLY 33 CO -0.16 0.41 -0.93 0.00 0.00 0.00 0.00 176.54 175.86 1zza h TRP 35 N 0.00 0.06 -3.90 0.00 5.08 -0.15 -3.47 115.95 113.56 1zza h TRP 35 Ca -0.01 -0.04 -0.49 0.00 1.08 0.00 0.00 58.89 59.43 1zza h TRP 35 Cb 1.69 -0.00 -0.21 0.00 -3.00 0.00 0.00 29.16 27.63 1zza h TRP 35 CO 0.00 1.08 -0.80 0.00 -1.28 0.00 0.00 178.44 177.44 1zza h TYR 37 N 4.11 0.81 0.00 0.00 0.05 -1.82 -3.39 116.97 116.73 1zza h TYR 37 Ca -0.44 -0.59 0.00 0.00 0.05 0.00 0.00 58.73 57.75 1zza h TYR 37 Cb 1.19 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.89 1zza h TYR 37 CO 0.63 1.47 -0.22 -0.07 -1.05 0.00 0.00 178.16 178.92 1zza h LEU 38 N 0.12 0.00 -2.64 3.88 3.38 -1.93 -3.48 115.31 114.64 1zza h LEU 38 Ca -0.22 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.54 1zza h LEU 38 Cb 2.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.86 1zza h LEU 38 CO 0.25 0.55 -0.50 -2.11 0.09 0.00 0.00 178.44 176.72 1zza n ARG 39 N -4.37 -0.70 -2.91 1.13 -4.01 -1.26 -4.78 116.66 99.75 1zza n ARG 39 Ca -0.03 0.36 -0.44 0.00 -1.04 0.00 0.00 57.85 56.70 1zza n ARG 39 Cb 0.11 -0.96 -0.01 0.00 -3.04 0.00 0.00 32.46 28.56 1zza n ARG 39 CO 0.00 0.00 0.00 -0.51 -3.04 0.00 0.00 177.63 174.08 1zza s LEU 40 N -3.04 4.95 0.67 2.89 1.02 -1.26 -4.52 118.68 119.39 1zza s LEU 40 Ca 0.02 -2.44 0.32 0.00 0.02 0.00 0.00 54.13 52.05 1zza s LEU 40 Cb -0.00 -2.41 1.73 0.00 0.02 0.00 0.00 46.19 45.53 1zza s LEU 40 CO 0.39 -0.95 1.98 1.56 0.02 0.00 0.00 176.35 179.35 1zza h GLN 41 N 8.11 0.00 0.00 1.70 7.50 -1.93 -3.44 115.11 127.05 1zza h GLN 41 Ca 0.24 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.39 1zza h GLN 41 Cb 0.95 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.48 1zza h GLN 41 CO 1.19 0.00 0.00 -2.13 -1.50 0.00 0.00 178.83 176.39 1zza n ARG 42 N -2.91 0.00 0.11 1.46 3.00 -1.26 -4.87 116.66 112.19 1zza n ARG 42 Ca -0.02 0.00 0.19 0.00 -0.00 0.00 0.00 57.85 58.02 1zza n ARG 42 Cb 0.34 0.00 0.76 0.00 0.00 0.00 0.00 32.46 33.56 1zza n ARG 42 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.63 178.60 1zza h ILE 43 N 0.00 0.51 -0.05 5.15 -0.00 -1.87 -3.38 117.51 117.87 1zza h ILE 43 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 64.86 64.89 1zza h ILE 43 Cb 0.00 0.74 -0.15 0.00 -0.00 0.00 0.00 36.82 37.42 1zza h ILE 43 CO 0.00 0.00 -0.06 -1.20 -0.00 0.00 0.00 178.15 176.89 1zza n SER 44 N -3.94 -1.14 -3.98 2.19 7.64 -1.26 -5.00 113.62 108.13 1zza n SER 44 Ca 0.06 -0.76 -0.41 0.00 1.01 0.00 0.00 58.87 58.77 1zza n SER 44 Cb 0.50 0.57 0.02 0.00 -1.01 0.00 0.00 64.21 64.29 1zza n SER 44 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1zza n GLN 45 N 2.40 -0.71 -3.28 1.43 6.02 -1.26 -4.94 117.38 117.04 1zza n GLN 45 Ca 0.09 0.19 -0.24 0.00 -0.01 0.00 0.00 57.00 57.04 1zza n GLN 45 Cb 0.67 -3.13 -0.08 0.00 1.02 0.00 0.00 30.24 28.71 1zza n GLN 45 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1zza n SER 46 N -2.39 -0.69 -4.92 1.08 7.64 -1.26 -4.95 113.62 108.12 1zza n SER 46 Ca -0.13 -2.50 -0.28 0.00 1.01 0.00 0.00 58.87 56.97 1zza n SER 46 Cb 0.59 -0.31 -0.03 0.00 -1.01 0.00 0.00 64.21 63.45 1zza n SER 46 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1zza s GLU 47 N -0.09 3.53 -0.23 1.43 1.03 -1.26 -4.75 118.70 118.37 1zza s GLU 47 Ca 0.33 -0.31 -0.16 0.00 0.03 0.00 0.00 54.97 54.87 1zza s GLU 47 Cb 0.07 -2.82 -0.10 0.00 -0.80 0.00 0.00 34.13 30.48 1zza s GLU 47 CO -0.17 0.38 -0.29 -0.25 -1.33 0.00 0.00 175.26 173.61 1zza n ASP 48 N -0.67 1.93 -3.79 0.83 9.92 -1.26 -5.07 116.55 118.44 1zza n ASP 48 Ca -0.04 0.37 -0.10 0.00 -0.53 0.00 0.00 54.79 54.49 1zza n ASP 48 Cb 0.54 -0.81 -0.05 0.00 -0.64 0.00 0.00 41.12 40.15 1zza n ASP 48 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 1zza s GLU 49 N -2.62 1.17 -0.84 -1.24 -6.30 -1.26 -4.97 118.70 102.64 1zza s GLU 49 Ca -0.32 -0.92 -0.17 0.00 -2.50 0.00 0.00 54.97 51.06 1zza s GLU 49 Cb 0.09 0.45 0.17 0.00 0.00 0.00 0.00 34.13 34.83 1zza s GLU 49 CO 0.46 -0.46 0.92 -2.00 0.02 0.00 0.00 175.26 174.20 1zza s GLU 50 N -3.88 3.53 0.00 4.30 2.56 -1.26 -4.72 118.70 119.23 1zza s GLU 50 Ca 0.09 -2.01 0.00 0.00 0.00 0.00 0.00 54.97 53.06 1zza s GLU 50 Cb 0.02 -4.62 0.00 0.00 2.00 0.00 0.00 34.13 31.53 1zza s GLU 50 CO -0.06 -1.54 0.00 -1.13 -0.56 0.00 0.00 175.26 171.98 1zza n SER 51 N 5.41 0.00 0.04 -1.70 3.41 -1.26 -4.79 113.62 114.73 1zza n SER 51 Ca 0.15 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.70 1zza n SER 51 Cb 0.47 0.01 0.11 0.00 -0.26 0.00 0.00 64.21 64.54 1zza n SER 51 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 1zza h ILE 52 N 0.00 1.33 -0.00 -1.33 3.07 -1.91 0.23 117.51 118.90 1zza h ILE 52 Ca 0.00 -1.76 -0.20 0.00 1.55 0.00 0.00 64.86 64.45 1zza h ILE 52 Cb 0.00 1.78 -0.01 0.00 -0.27 0.00 0.00 36.82 38.32 1zza h ILE 52 CO 0.00 0.54 -0.87 -0.37 -1.05 0.00 0.00 178.15 176.39 1zza h VAL 53 N 0.32 1.48 0.00 0.16 -1.51 -1.92 -3.23 116.25 111.54 1zza h VAL 53 Ca 0.01 -2.57 -0.13 0.00 -1.23 0.00 0.00 66.70 62.79 1zza h VAL 53 Cb 1.01 2.44 -0.02 0.00 -2.13 0.00 0.00 31.29 32.59 1zza h VAL 53 CO 0.09 0.75 -1.03 1.23 -1.23 0.00 0.00 177.57 177.38 1zza h GLY 54 N 1.75 0.00 0.00 5.19 0.00 -1.85 -3.50 103.07 104.66 1zza h GLY 54 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1zza h GLY 54 CO 0.14 0.00 0.00 1.34 0.00 0.00 0.00 176.54 178.02 1zza n ASP 55 N -3.00 -4.09 0.00 0.19 2.03 0.82 -4.99 116.55 107.51 1zza n ASP 55 Ca -0.04 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.27 1zza n ASP 55 Cb 0.77 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.17 1zza n ASP 55 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1zza n GLY 56 N 0.00 2.19 0.01 0.27 0.00 -1.26 -4.91 105.19 101.49 1zza n GLY 56 Ca 0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 46.02 45.76 1zza n GLY 56 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1zza n GLU 57 N 0.00 2.34 -1.53 1.61 0.00 -1.26 -4.64 120.64 117.15 1zza n GLU 57 Ca 0.00 0.01 -0.33 0.00 0.00 0.00 0.00 57.16 56.84 1zza n GLU 57 Cb 0.00 -1.06 -0.09 0.00 0.00 0.00 0.00 31.44 30.30 1zza n GLU 57 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 1zza n THR 58 N -2.27 -0.04 -2.10 6.31 -2.24 -1.10 0.20 114.28 113.04 1zza n THR 58 Ca -0.04 -0.52 0.07 0.00 -2.27 0.00 0.00 64.05 61.29 1zza n THR 58 Cb 0.57 -1.83 -0.02 0.00 -2.10 0.00 0.00 70.33 66.95 1zza n THR 58 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1zza n LYS 59 N 8.54 -1.08 -3.31 -0.78 2.85 0.27 -4.60 118.16 120.05 1zza n LYS 59 Ca 0.49 0.71 -0.45 0.00 -1.05 0.00 0.00 58.31 58.01 1zza n LYS 59 Cb 0.36 -1.32 -0.06 0.00 -0.65 0.00 0.00 35.03 33.36 1zza n LYS 59 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 1zza s GLU 60 N -1.11 3.00 0.35 -1.58 8.01 -1.26 -1.72 118.70 124.39 1zza s GLU 60 Ca 0.00 -1.47 -0.27 0.00 0.01 0.00 0.00 54.97 53.24 1zza s GLU 60 Cb 0.00 -4.22 -0.09 0.00 -4.31 0.00 0.00 34.13 25.51 1zza s GLU 60 CO 0.00 -1.22 1.11 -1.25 0.01 0.00 0.00 175.26 173.91 1zza s PRO 61 N 1.80 4.32 -0.08 0.39 0.04 -1.26 -4.98 135.00 135.22 1zza s PRO 61 Ca 0.05 1.75 -0.26 0.00 0.04 0.00 0.00 61.00 62.58 1zza s PRO 61 Cb -0.26 -2.85 -0.25 0.00 0.04 0.00 0.00 34.50 31.17 1zza s PRO 61 CO 0.05 -0.06 0.93 0.35 0.04 0.00 0.00 177.00 178.31 1zza h PHE 62 N 3.08 0.20 -0.44 0.56 3.57 -2.00 -3.21 116.94 118.70 1zza h PHE 62 Ca -0.48 -0.12 -0.03 0.00 3.53 0.00 0.00 57.97 60.87 1zza h PHE 62 Cb 1.22 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.92 1zza h PHE 62 CO 0.57 1.00 0.12 -0.07 -2.23 0.00 0.00 178.31 177.70 1zza h LEU 63 N -0.66 0.59 0.55 0.59 3.38 -1.97 0.15 115.31 117.93 1zza h LEU 63 Ca -0.04 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 1zza h LEU 63 Cb 1.08 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 41.68 1zza h LEU 63 CO 0.05 0.57 -0.26 0.25 0.09 0.00 0.00 178.44 179.13 1zza h LEU 64 N 0.63 -0.62 -0.91 1.67 5.85 -1.98 0.11 115.31 120.06 1zza h LEU 64 Ca 0.15 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.76 1zza h LEU 64 Cb 0.21 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 1zza h LEU 64 CO -0.01 -0.41 -0.40 -0.37 -0.34 0.00 0.00 178.44 176.91 1zza h VAL 65 N -0.78 1.31 0.32 1.05 -1.51 -1.53 0.76 116.25 115.87 1zza h VAL 65 Ca -0.08 -1.51 -0.02 0.00 -1.23 0.00 0.00 66.70 63.87 1zza h VAL 65 Cb 0.58 1.65 0.00 0.00 -2.13 0.00 0.00 31.29 31.40 1zza h VAL 65 CO 0.12 0.46 -0.16 1.56 -1.23 0.00 0.00 177.57 178.32 1zza h GLN 66 N 0.24 -0.42 -0.65 5.19 1.08 -0.50 0.32 115.11 120.38 1zza h GLN 66 Ca 0.02 0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 57.22 1zza h GLN 66 Cb 0.82 0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 28.31 1zza h GLN 66 CO 0.06 -0.22 0.27 -0.92 -0.95 0.00 0.00 178.83 177.08 1zza h TYR 67 N -0.53 0.98 -0.70 2.96 3.20 -0.70 0.40 116.97 122.58 1zza h TYR 67 Ca -0.04 -0.07 0.10 0.00 3.14 0.00 0.00 58.73 61.85 1zza h TYR 67 Cb 0.40 -0.29 -0.05 0.00 1.54 0.00 0.00 36.73 38.33 1zza h TYR 67 CO -0.03 0.76 0.46 0.77 -1.64 0.00 0.00 178.16 178.48 1zza h SER 68 N 0.91 0.51 0.10 -2.11 0.02 -0.58 0.18 113.55 112.59 1zza h SER 68 Ca 0.22 0.01 -0.36 0.00 -0.84 0.00 0.00 61.79 60.82 1zza h SER 68 Cb 0.19 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 1zza h SER 68 CO -0.02 0.30 -1.99 0.00 -1.14 0.00 0.00 176.83 173.98 1zza n ALA 69 N -2.48 0.93 -0.13 3.77 0.00 0.08 -4.20 120.51 118.48 1zza n ALA 69 Ca 0.11 -0.63 -0.10 0.00 0.00 0.00 0.00 53.44 52.82 1zza n ALA 69 Cb 0.35 -0.61 -0.01 0.00 0.00 0.00 0.00 19.45 19.18 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 -0.03 0.60 -0.22 0.00 1.79 0.00 -0.33 116.57 118.39 1zza h LYS 70 Ca -0.44 -0.15 0.03 0.00 -2.18 0.00 0.00 60.65 57.92 1zza h LYS 70 Cb 1.96 -0.08 -0.05 0.00 -1.58 0.00 0.00 32.23 32.48 1zza h LYS 70 CO 0.04 0.64 -0.36 0.78 -1.08 0.00 0.00 179.45 179.47 1zza h GLY 71 N 0.46 -1.32 1.25 3.86 0.00 -0.83 0.83 103.07 107.32 1zza h GLY 71 Ca 0.12 0.74 -0.09 0.00 0.00 0.00 0.00 47.33 48.10 1zza h GLY 71 CO 0.00 -0.34 -0.02 -0.56 0.00 0.00 0.00 176.54 175.62 1zza h PRO 72 N -0.29 0.90 -0.64 4.80 0.13 -1.72 0.38 132.00 135.56 1zza h PRO 72 Ca 0.04 -0.27 -0.00 0.00 -0.87 0.00 0.00 66.00 64.90 1zza h PRO 72 Cb 0.40 -0.09 -0.03 0.00 0.13 0.00 0.00 31.00 31.41 1zza h PRO 72 CO -0.36 0.91 0.40 0.00 -0.23 0.00 0.00 178.00 178.71 1zza h VAL 74 N 0.87 1.36 -0.63 0.00 2.07 0.88 -0.88 116.25 119.92 1zza h VAL 74 Ca 0.23 -1.95 0.07 0.00 0.82 0.00 0.00 66.70 65.87 1zza h VAL 74 Cb -0.04 2.29 -0.06 0.00 -1.52 0.00 0.00 31.29 31.96 1zza h VAL 74 CO -0.04 0.59 0.32 -0.08 0.02 0.00 0.00 177.57 178.37 1zza h GLU 75 N 0.14 0.57 -0.49 1.57 4.22 0.04 0.13 114.58 120.77 1zza h GLU 75 Ca -0.06 -0.03 -0.09 0.00 0.08 0.00 0.00 59.36 59.26 1zza h GLU 75 Cb 1.27 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.38 1zza h GLU 75 CO 0.12 0.38 -0.05 0.00 -2.18 0.00 0.00 179.01 177.28 1zza h ARG 76 N 0.59 0.89 -0.01 1.92 -0.00 -0.34 -0.34 114.38 117.10 1zza h ARG 76 Ca 0.29 -0.31 0.00 0.00 -0.50 0.00 0.00 59.98 59.47 1zza h ARG 76 Cb 0.24 -0.07 -0.00 0.00 0.00 0.00 0.00 29.97 30.14 1zza h ARG 76 CO -0.21 0.95 -0.01 0.87 0.00 0.00 0.00 179.97 181.57 1zza h LYS 77 N 0.75 -0.02 -0.43 0.04 1.79 -0.03 0.35 116.57 119.02 1zza h LYS 77 Ca 0.13 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.56 1zza h LYS 77 Cb 0.59 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.22 1zza h LYS 77 CO 0.04 -0.01 0.12 0.00 -1.08 0.00 0.00 179.45 178.51 1zza h ALA 78 N 0.99 0.57 -0.22 3.86 0.00 -0.72 -0.49 119.26 123.26 1zza h ALA 78 Ca 0.01 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 1zza h ALA 78 Cb 0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1zza h ALA 78 CO -0.02 0.24 -0.21 0.87 0.00 0.00 0.00 179.25 180.13 1zza h LYS 79 N 0.56 0.39 0.01 0.00 1.79 -0.85 0.48 116.57 118.95 1zza h LYS 79 Ca 0.14 -0.13 -0.22 0.00 -2.18 0.00 0.00 60.65 58.26 1zza h LYS 79 Cb 0.29 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 30.90 1zza h LYS 79 CO -0.00 0.59 -0.94 1.25 -1.08 0.00 0.00 179.45 179.27 1zza h LEU 80 N 0.36 0.39 0.24 2.94 5.85 -0.01 -3.32 115.31 121.75 1zza h LEU 80 Ca 0.06 -0.32 -0.34 0.00 0.84 0.00 0.00 57.88 58.12 1zza h LEU 80 Cb 0.57 -0.12 0.03 0.00 0.37 0.00 0.00 40.66 41.52 1zza h LEU 80 CO 0.04 1.13 -1.52 -0.03 -0.34 0.00 0.00 178.44 177.72 1zza h MET 81 N 0.16 0.50 -7.07 1.25 4.05 -0.93 -3.47 114.93 109.42 1zza h MET 81 Ca -0.07 -0.86 -0.46 0.00 -0.28 0.00 0.00 59.70 58.04 1zza h MET 81 Cb 1.58 0.32 0.07 0.00 -0.80 0.00 0.00 31.60 32.77 1zza h MET 81 CO 0.15 1.41 0.09 0.95 0.23 0.00 0.00 176.91 179.74 1zza s THR 82 N -2.60 2.32 -2.00 -0.77 -4.23 0.15 -4.96 115.64 103.55 1zza s THR 82 Ca -0.10 -0.55 0.03 0.00 -1.18 0.00 0.00 61.69 59.89 1zza s THR 82 Cb 0.04 -2.77 0.08 0.00 1.34 0.00 0.00 72.50 71.20 1zza s THR 82 CO 0.93 0.00 0.99 -0.81 -0.54 0.00 0.00 174.62 175.19 1zza n PRO 83 N -2.72 0.87 -0.84 3.99 -0.04 -1.26 -4.31 135.00 130.69 1zza n PRO 83 Ca 0.12 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.46 1zza n PRO 83 Cb 0.60 -1.05 -0.13 0.00 -0.04 0.00 0.00 33.50 32.88 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 -0.55 4.59 -2.89 3.54 5.15 -1.26 -4.73 115.26 119.10 1zza n ASN 84 Ca 0.02 -2.32 0.00 0.00 -0.60 0.00 0.00 54.58 51.68 1zza n ASN 84 Cb 0.01 -1.18 0.00 0.00 -0.53 0.00 0.00 39.78 38.08 1zza n ASN 84 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1zza n GLY 85 N 2.70 0.87 0.19 8.20 0.00 -1.26 -4.27 105.19 111.62 1zza n GLY 85 Ca 0.38 -1.51 0.14 0.00 0.00 0.00 0.00 46.02 45.03 1zza n GLY 85 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1zza h PRO 86 N 0.00 0.00 -0.17 1.61 0.13 -1.88 0.46 132.00 132.15 1zza h PRO 86 Ca 0.00 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.08 1zza h PRO 86 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 1zza h PRO 86 CO 0.00 0.00 -0.10 0.93 -0.23 0.00 0.00 178.00 178.60 1zza h GLU 87 N 0.00 0.26 0.00 0.86 3.07 -1.90 -3.13 114.58 113.74 1zza h GLU 87 Ca 0.00 -0.06 -0.32 0.00 -0.50 0.00 0.00 59.36 58.49 1zza h GLU 87 Cb 0.38 -0.04 -0.06 0.00 -0.84 0.00 0.00 28.75 28.19 1zza h GLU 87 CO 0.00 0.37 -2.20 0.28 -1.40 0.00 0.00 179.01 176.06 1zza n VAL 88 N -4.29 1.20 0.10 3.13 0.31 -0.99 -5.01 118.33 112.78 1zza n VAL 88 Ca -0.00 -0.68 0.00 0.00 -0.01 0.00 0.00 64.34 63.64 1zza n VAL 88 Cb 0.25 -0.69 0.00 0.00 -0.91 0.00 0.00 33.84 32.49 1zza n VAL 88 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08 1zza n HIS 89 N -2.74 -3.22 -0.15 3.52 -0.00 -0.20 -5.05 115.22 107.37 1zza n HIS 89 Ca -0.30 0.70 0.00 0.00 -0.00 0.00 0.00 57.72 58.11 1zza n HIS 89 Cb 1.03 1.98 0.00 0.00 -0.00 0.00 0.00 29.99 33.00 1zza n HIS 89 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75