#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nzd s HIS 39 N 0.00 2.54 -0.16 0.54 2.46 -1.26 -5.11 115.29 114.30 2nzd s HIS 39 Ca 0.00 -0.42 -0.04 0.00 0.47 0.00 0.00 55.06 55.06 2nzd s HIS 39 Cb 0.00 -1.61 0.08 0.00 -0.13 0.00 0.00 32.58 30.92 2nzd s HIS 39 CO 0.00 -0.02 0.25 0.50 -2.47 0.00 0.00 174.74 173.00 2nzd s ARG 40 N -0.45 0.17 0.33 2.88 3.52 -1.26 -5.14 118.95 118.99 2nzd s ARG 40 Ca 0.05 0.50 -0.27 0.00 -0.13 0.00 0.00 55.73 55.88 2nzd s ARG 40 Cb -0.12 -0.56 -0.09 0.00 -1.56 0.00 0.00 34.95 32.62 2nzd s ARG 40 CO 0.01 -0.46 1.08 0.71 -0.81 0.00 0.00 175.30 175.83 2nzd s TYR 41 N 2.38 3.46 0.69 5.12 1.51 -1.26 -5.03 117.35 124.22 2nzd s TYR 41 Ca 0.05 1.68 -0.13 0.00 -1.01 0.00 0.00 57.07 57.66 2nzd s TYR 41 Cb -0.14 -3.22 0.01 0.00 -0.11 0.00 0.00 41.96 38.50 2nzd s TYR 41 CO -0.10 -0.57 1.08 1.03 -1.11 0.00 0.00 175.55 175.88 2nzd s ARG 42 N -1.84 2.79 0.17 -0.62 0.52 -1.26 -4.95 118.95 113.76 2nzd s ARG 42 Ca 0.49 1.17 -0.33 0.00 -0.52 0.00 0.00 55.73 56.55 2nzd s ARG 42 Cb -0.28 -1.96 -0.13 0.00 0.52 0.00 0.00 34.95 33.10 2nzd s ARG 42 CO 0.36 -1.23 1.67 -2.30 0.02 0.00 0.00 175.30 173.82 2nzd n PRO 43 N -2.84 2.45 0.00 3.54 -0.02 -1.26 -2.19 135.00 134.69 2nzd n PRO 43 Ca 0.09 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.45 2nzd n PRO 43 Cb 0.53 -2.70 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 2nzd n PRO 43 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2nzd n GLY 44 N 3.74 3.38 0.22 -1.23 0.00 -1.26 -4.89 105.19 105.15 2nzd n GLY 44 Ca 0.17 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.09 2nzd n GLY 44 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2nzd h THR 45 N 0.00 1.24 0.02 2.61 2.02 -1.81 0.77 112.91 117.76 2nzd h THR 45 Ca 0.00 -0.86 -0.22 0.00 0.77 0.00 0.00 66.41 66.09 2nzd h THR 45 Cb 0.00 0.94 -0.00 0.00 -1.74 0.00 0.00 68.15 67.35 2nzd h THR 45 CO 0.00 0.30 -0.97 0.58 0.37 0.00 0.00 175.52 175.81 2nzd h VAL 46 N 0.60 1.44 0.01 3.16 2.07 -1.91 -2.55 116.25 119.07 2nzd h VAL 46 Ca 0.14 -2.59 0.03 0.00 0.82 0.00 0.00 66.70 65.10 2nzd h VAL 46 Cb 0.36 2.51 -0.05 0.00 -1.52 0.00 0.00 31.29 32.59 2nzd h VAL 46 CO 0.01 0.77 -0.30 0.00 0.02 0.00 0.00 177.57 178.06 2nzd h ALA 47 N 0.78 -0.42 -0.42 1.67 0.00 -1.84 0.18 119.26 119.20 2nzd h ALA 47 Ca -0.08 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.87 2nzd h ALA 47 Cb 1.62 0.52 -0.04 0.00 0.00 0.00 0.00 17.79 19.88 2nzd h ALA 47 CO 0.16 -0.81 0.17 -0.07 0.00 0.00 0.00 179.25 178.70 2nzd h LEU 48 N -0.45 0.21 -1.32 0.00 4.07 -0.89 0.09 115.31 117.02 2nzd h LEU 48 Ca 0.06 0.04 0.13 0.00 0.08 0.00 0.00 57.88 58.19 2nzd h LEU 48 Cb 0.53 0.01 -0.06 0.00 1.08 0.00 0.00 40.66 42.21 2nzd h LEU 48 CO -0.25 0.16 0.55 -0.09 -1.08 0.00 0.00 178.44 177.73 2nzd h ARG 49 N 0.35 0.67 0.02 1.13 2.43 -0.97 -1.88 114.38 116.14 2nzd h ARG 49 Ca 0.19 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.32 2nzd h ARG 49 Cb 0.15 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 2nzd h ARG 49 CO -0.17 0.45 -0.01 0.93 -1.51 0.00 0.00 179.97 179.65 2nzd h GLU 50 N 0.69 -0.03 -0.86 0.20 5.08 0.35 -2.62 114.58 117.40 2nzd h GLU 50 Ca 0.42 0.00 0.13 0.00 -1.00 0.00 0.00 59.36 58.90 2nzd h GLU 50 Cb 0.63 0.01 -0.14 0.00 0.50 0.00 0.00 28.75 29.75 2nzd h GLU 50 CO -0.18 0.65 -0.42 0.82 -1.00 0.00 0.00 179.01 178.88 2nzd h ILE 51 N -0.74 0.04 -0.50 3.13 2.04 -0.54 0.51 117.51 121.45 2nzd h ILE 51 Ca -0.00 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.94 2nzd h ILE 51 Cb 0.68 0.04 -0.07 0.00 -0.74 0.00 0.00 36.82 36.74 2nzd h ILE 51 CO 0.00 0.00 0.11 0.03 0.00 0.00 0.00 178.15 178.29 2nzd h ARG 52 N -0.07 0.24 0.04 2.37 3.08 -1.40 -1.25 114.38 117.39 2nzd h ARG 52 Ca 0.27 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.31 2nzd h ARG 52 Cb 0.56 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.55 2nzd h ARG 52 CO -0.88 0.16 -0.02 -0.09 -1.07 0.00 0.00 179.97 178.07 2nzd h ARG 53 N 0.24 -0.05 0.00 0.04 2.43 -0.61 -2.56 114.38 113.88 2nzd h ARG 53 Ca 0.25 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.39 2nzd h ARG 53 Cb 0.34 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 2nzd h ARG 53 CO -0.32 0.09 -0.18 1.88 -1.51 0.00 0.00 179.97 179.92 2nzd h TYR 54 N -0.18 0.00 0.00 2.20 -1.99 -0.82 -2.71 116.97 113.47 2nzd h TYR 54 Ca -0.01 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.70 2nzd h TYR 54 Cb 0.16 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 38.89 2nzd h TYR 54 CO -0.03 0.18 -0.14 1.96 -0.00 0.00 0.00 178.16 180.13 2nzd h GLN 55 N 0.00 0.00 -0.05 4.88 4.20 -1.22 -3.19 115.11 119.72 2nzd h GLN 55 Ca -0.00 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.52 2nzd h GLN 55 Cb 0.82 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.59 2nzd h GLN 55 CO 0.02 0.14 -0.77 0.87 -0.67 0.00 0.00 178.83 178.42 2nzd h LYS 56 N 0.00 0.35 -6.21 1.46 1.57 -1.14 -3.47 116.57 109.13 2nzd h LYS 56 Ca -0.00 -0.31 -0.51 0.00 -1.87 0.00 0.00 60.65 57.96 2nzd h LYS 56 Cb 1.06 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.42 2nzd h LYS 56 CO 0.02 0.96 -0.29 -1.54 -0.57 0.00 0.00 179.45 178.03 2nzd s SER 57 N -6.97 4.98 0.00 0.86 1.04 -1.12 -5.06 113.70 107.43 2nzd s SER 57 Ca -0.05 -0.89 0.00 0.00 0.48 0.00 0.00 55.95 55.49 2nzd s SER 57 Cb 0.10 -0.13 0.00 0.00 0.10 0.00 0.00 66.02 66.10 2nzd s SER 57 CO 0.84 -0.92 0.07 0.35 0.98 0.00 0.00 173.24 174.56 2nzd n THR 58 N -1.77 0.00 -1.37 2.02 -2.24 -1.26 -4.92 114.28 104.75 2nzd n THR 58 Ca 0.05 -0.28 -0.36 0.00 -2.27 0.00 0.00 64.05 61.19 2nzd n THR 58 Cb 0.62 1.12 0.09 0.00 -2.10 0.00 0.00 70.33 70.06 2nzd n THR 58 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2nzd n GLU 59 N -0.41 0.53 -2.36 -0.78 -0.00 -1.26 -4.95 120.64 111.40 2nzd n GLU 59 Ca 0.00 0.24 -0.40 0.00 -0.00 0.00 0.00 57.16 57.00 2nzd n GLU 59 Cb 0.03 -2.25 -0.03 0.00 -0.00 0.00 0.00 31.44 29.19 2nzd n GLU 59 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 2nzd s LEU 60 N -3.27 4.41 0.00 -1.84 1.43 -1.26 -4.93 118.68 113.22 2nzd s LEU 60 Ca 0.74 2.35 0.10 0.00 -1.03 0.00 0.00 54.13 56.29 2nzd s LEU 60 Cb -0.35 -3.77 0.06 0.00 0.03 0.00 0.00 46.19 42.17 2nzd s LEU 60 CO 0.50 -0.38 0.77 0.18 0.23 0.00 0.00 176.35 177.65 2nzd n LEU 61 N 0.74 1.68 -4.86 1.79 4.77 -1.26 -4.87 117.00 115.00 2nzd n LEU 61 Ca 0.01 -0.95 -0.37 0.00 -0.03 0.00 0.00 56.01 54.68 2nzd n LEU 61 Cb 0.45 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.48 2nzd n LEU 61 CO 0.53 0.33 -0.18 -0.63 -1.33 0.00 0.00 177.39 176.11 2nzd s ILE 62 N -0.94 5.42 0.23 -0.08 1.01 -1.26 -5.09 121.20 120.49 2nzd s ILE 62 Ca 0.11 0.18 -0.30 0.00 0.00 0.00 0.00 60.65 60.64 2nzd s ILE 62 Cb 0.08 -3.37 -0.09 0.00 0.01 0.00 0.00 42.46 39.09 2nzd s ILE 62 CO 0.15 0.61 1.37 -0.13 0.00 0.00 0.00 174.94 176.94 2nzd s ARG 63 N -0.93 4.33 0.17 2.79 1.81 -1.26 -4.94 118.95 120.92 2nzd s ARG 63 Ca 0.14 2.17 -0.14 0.00 -1.72 0.00 0.00 55.73 56.19 2nzd s ARG 63 Cb -0.12 -3.15 0.06 0.00 -0.45 0.00 0.00 34.95 31.29 2nzd s ARG 63 CO 0.04 -0.33 1.80 0.87 -0.68 0.00 0.00 175.30 177.00 2nzd h LYS 64 N 5.17 0.72 -0.12 3.54 1.57 -1.98 -2.79 116.57 122.68 2nzd h LYS 64 Ca -0.45 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.24 2nzd h LYS 64 Cb 1.22 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 33.37 2nzd h LYS 64 CO 0.77 0.53 -0.01 1.25 -0.57 0.00 0.00 179.45 181.42 2nzd h LEU 65 N 0.71 0.22 -1.15 2.94 5.85 -1.99 0.15 115.31 122.05 2nzd h LEU 65 Ca 0.19 -0.32 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 2nzd h LEU 65 Cb -0.01 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 40.93 2nzd h LEU 65 CO -0.04 0.49 0.41 1.55 -0.34 0.00 0.00 178.44 180.52 2nzd h PRO 66 N -0.05 1.00 -0.62 5.25 0.13 -1.98 -1.06 132.00 134.66 2nzd h PRO 66 Ca 0.03 -0.10 -0.02 0.00 -0.87 0.00 0.00 66.00 65.04 2nzd h PRO 66 Cb 0.38 -0.20 -0.03 0.00 0.13 0.00 0.00 31.00 31.28 2nzd h PRO 66 CO 0.01 0.72 0.30 0.35 -0.23 0.00 0.00 178.00 179.15 2nzd h PHE 67 N 1.01 0.89 -0.38 1.56 3.57 -1.26 -2.97 116.94 119.36 2nzd h PHE 67 Ca 0.26 -0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.68 2nzd h PHE 67 Cb 0.00 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.45 2nzd h PHE 67 CO 0.01 0.67 0.11 0.37 -2.23 0.00 0.00 178.31 177.24 2nzd h GLN 68 N 0.86 0.60 -0.41 1.11 4.15 -0.00 -2.29 115.11 119.12 2nzd h GLN 68 Ca 0.21 -0.13 0.06 0.00 0.77 0.00 0.00 58.65 59.56 2nzd h GLN 68 Cb 0.11 -0.08 -0.05 0.00 0.21 0.00 0.00 27.48 27.67 2nzd h GLN 68 CO -0.03 0.62 0.11 0.00 -1.93 0.00 0.00 178.83 177.60 2nzd h ARG 69 N 0.47 0.24 -0.46 1.69 3.08 -1.17 -1.14 114.38 117.10 2nzd h ARG 69 Ca 0.12 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.16 2nzd h ARG 69 Cb 0.27 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 2nzd h ARG 69 CO -0.00 0.16 0.30 1.25 -1.07 0.00 0.00 179.97 180.61 2nzd h LEU 70 N 0.25 0.53 -0.57 3.04 5.85 -1.39 -0.13 115.31 122.89 2nzd h LEU 70 Ca 0.20 -0.03 0.11 0.00 0.84 0.00 0.00 57.88 59.00 2nzd h LEU 70 Cb 0.22 -0.13 -0.08 0.00 0.37 0.00 0.00 40.66 41.03 2nzd h LEU 70 CO -0.23 0.40 0.10 0.58 -0.34 0.00 0.00 178.44 178.94 2nzd h VAL 71 N 0.62 0.63 -0.67 1.05 2.07 -0.82 -1.15 116.25 117.99 2nzd h VAL 71 Ca 0.17 -0.08 -0.06 0.00 0.82 0.00 0.00 66.70 67.55 2nzd h VAL 71 Cb -0.05 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.08 2nzd h VAL 71 CO -0.03 0.04 0.20 0.03 0.02 0.00 0.00 177.57 177.82 2nzd h ARG 72 N 0.23 1.04 -0.48 1.57 3.08 -0.41 -1.53 114.38 117.88 2nzd h ARG 72 Ca 0.30 -0.23 -0.03 0.00 0.07 0.00 0.00 59.98 60.08 2nzd h ARG 72 Cb 0.44 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 2nzd h ARG 72 CO -0.40 0.91 0.17 1.49 -1.07 0.00 0.00 179.97 181.07 2nzd h GLU 73 N 0.98 0.73 -0.37 0.04 4.81 -0.48 -0.40 114.58 119.89 2nzd h GLU 73 Ca 0.21 -0.14 -0.07 0.00 -0.13 0.00 0.00 59.36 59.23 2nzd h GLU 73 Cb 0.31 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 2nzd h GLU 73 CO -0.00 0.67 -0.03 0.82 -0.73 0.00 0.00 179.01 179.74 2nzd h ILE 74 N 0.64 1.27 -0.71 2.32 2.04 -1.10 -3.04 117.51 118.92 2nzd h ILE 74 Ca 0.16 -1.04 -0.02 0.00 1.00 0.00 0.00 64.86 64.95 2nzd h ILE 74 Cb 0.23 1.20 -0.03 0.00 -0.74 0.00 0.00 36.82 37.48 2nzd h ILE 74 CO -0.01 0.35 0.35 0.00 0.00 0.00 0.00 178.15 178.84 2nzd h ALA 75 N 0.86 1.30 -0.26 1.87 0.00 -1.01 -2.91 119.26 119.11 2nzd h ALA 75 Ca 0.10 -0.13 0.08 0.00 0.00 0.00 0.00 54.91 54.96 2nzd h ALA 75 Cb 0.51 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2nzd h ALA 75 CO 0.02 0.55 0.28 0.37 0.00 0.00 0.00 179.25 180.47 2nzd h GLN 76 N 0.99 0.00 0.00 0.00 5.75 -0.95 0.24 115.11 121.14 2nzd h GLN 76 Ca 0.25 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.73 2nzd h GLN 76 Cb 0.08 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.62 2nzd h GLN 76 CO -0.03 0.00 -0.10 -0.44 -2.65 0.00 0.00 178.83 175.61 2nzd h ASP 77 N 0.00 0.00 0.02 -0.69 3.45 -1.60 -3.34 116.42 114.26 2nzd h ASP 77 Ca 0.12 0.00 -0.39 0.00 0.43 0.00 0.00 57.03 57.19 2nzd h ASP 77 Cb 0.67 0.00 -0.06 0.00 -0.56 0.00 0.00 39.33 39.38 2nzd h ASP 77 CO -0.00 0.10 -2.36 0.49 -1.57 0.00 0.00 179.24 175.90 2nzd n PHE 78 N -3.21 0.27 -3.73 4.55 0.99 0.77 -4.98 117.46 112.12 2nzd n PHE 78 Ca 0.01 0.07 -0.13 0.00 -0.00 0.00 0.00 57.45 57.39 2nzd n PHE 78 Cb 0.39 -1.03 -0.10 0.00 -1.00 0.00 0.00 39.48 37.74 2nzd n PHE 78 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.76 176.97 2nzd s LYS 79 N -2.52 0.49 0.59 -1.08 2.20 -0.81 -5.16 119.74 113.45 2nzd s LYS 79 Ca -0.33 0.60 -0.06 0.00 -0.36 0.00 0.00 55.97 55.82 2nzd s LYS 79 Cb 0.09 0.23 0.01 0.00 -1.51 0.00 0.00 37.83 36.65 2nzd s LYS 79 CO 0.61 -0.06 0.90 0.95 -0.36 0.00 0.00 175.35 177.39 2nzd s THR 80 N 0.28 3.74 -1.25 3.43 -4.23 -1.26 -4.14 115.64 112.21 2nzd s THR 80 Ca -0.00 0.04 -0.26 0.00 -1.18 0.00 0.00 61.69 60.28 2nzd s THR 80 Cb -0.03 -3.48 0.03 0.00 1.34 0.00 0.00 72.50 70.35 2nzd s THR 80 CO 0.00 -0.50 0.61 -0.67 -0.54 0.00 0.00 174.62 173.51 2nzd n ASP 81 N -2.57 -3.52 -4.88 3.99 2.03 -1.26 -4.97 116.55 105.37 2nzd n ASP 81 Ca 0.04 -1.23 -0.34 0.00 0.52 0.00 0.00 54.79 53.78 2nzd n ASP 81 Cb 0.57 -2.05 -0.05 0.00 -0.72 0.00 0.00 41.12 38.88 2nzd n ASP 81 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2nzd s LEU 82 N -7.26 4.35 0.39 -2.67 1.43 -1.26 -5.11 118.68 108.55 2nzd s LEU 82 Ca 0.41 0.64 0.08 0.00 -1.03 0.00 0.00 54.13 54.22 2nzd s LEU 82 Cb -0.21 -2.90 -0.04 0.00 0.03 0.00 0.00 46.19 43.07 2nzd s LEU 82 CO 0.95 0.19 0.21 -0.13 0.23 0.00 0.00 176.35 177.80 2nzd s ARG 83 N -1.99 2.32 -0.06 1.70 0.52 -1.26 -5.12 118.95 115.07 2nzd s ARG 83 Ca 0.32 -1.70 -0.02 0.00 -0.52 0.00 0.00 55.73 53.81 2nzd s ARG 83 Cb -0.13 -2.11 0.03 0.00 0.52 0.00 0.00 34.95 33.25 2nzd s ARG 83 CO 0.19 -0.07 0.03 -0.06 0.02 0.00 0.00 175.30 175.40 2nzd s PHE 84 N -2.53 0.39 0.25 -0.53 0.40 -1.26 -5.11 117.98 109.59 2nzd s PHE 84 Ca 0.42 0.02 -0.31 0.00 -0.60 0.00 0.00 56.93 56.46 2nzd s PHE 84 Cb 0.01 -0.65 -0.13 0.00 0.51 0.00 0.00 43.02 42.75 2nzd s PHE 84 CO 0.24 -0.26 1.39 1.04 0.70 0.00 0.00 175.22 178.32 2nzd n GLN 85 N 5.18 2.03 -0.26 0.44 6.02 -1.26 -4.88 117.38 124.64 2nzd n GLN 85 Ca -0.06 0.72 0.04 0.00 -0.01 0.00 0.00 57.00 57.69 2nzd n GLN 85 Cb 0.50 -2.36 0.27 0.00 1.02 0.00 0.00 30.24 29.66 2nzd n GLN 85 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2nzd h SER 86 N 4.02 0.84 1.30 1.08 0.87 -2.00 -0.23 113.55 119.42 2nzd h SER 86 Ca -0.45 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.08 2nzd h SER 86 Cb 1.28 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 63.05 2nzd h SER 86 CO 0.74 0.55 -0.13 0.77 -0.53 0.00 0.00 176.83 178.23 2nzd h SER 87 N 0.96 0.00 -0.70 6.23 4.64 -1.99 -2.45 113.55 120.23 2nzd h SER 87 Ca 0.35 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.62 2nzd h SER 87 Cb 0.17 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.23 2nzd h SER 87 CO -0.12 0.13 0.24 0.00 -0.87 0.00 0.00 176.83 176.21 2nzd h ALA 88 N 1.87 1.06 -0.02 5.18 0.00 -1.40 0.93 119.26 126.88 2nzd h ALA 88 Ca -0.00 -0.21 -0.26 0.00 0.00 0.00 0.00 54.91 54.44 2nzd h ALA 88 Cb 0.81 -0.28 0.02 0.00 0.00 0.00 0.00 17.79 18.34 2nzd h ALA 88 CO 0.02 0.64 -1.01 0.28 0.00 0.00 0.00 179.25 179.18 2nzd h VAL 89 N 1.06 1.28 -0.06 0.00 2.07 -1.41 -2.61 116.25 116.59 2nzd h VAL 89 Ca 0.23 -2.22 0.04 0.00 0.82 0.00 0.00 66.70 65.57 2nzd h VAL 89 Cb 0.27 2.33 -0.05 0.00 -1.52 0.00 0.00 31.29 32.32 2nzd h VAL 89 CO -0.01 0.69 -0.28 0.24 0.02 0.00 0.00 177.57 178.23 2nzd h MET 90 N 0.41 -0.38 -0.41 1.57 2.86 -1.23 0.75 114.93 118.50 2nzd h MET 90 Ca -0.12 0.03 0.09 0.00 -2.06 0.00 0.00 59.70 57.63 2nzd h MET 90 Cb 1.66 0.09 -0.09 0.00 0.06 0.00 0.00 31.60 33.31 2nzd h MET 90 CO 0.20 -0.25 -0.23 0.00 1.06 0.00 0.00 176.91 177.69 2nzd h ALA 91 N 0.44 0.05 -0.75 6.32 0.00 -0.85 0.65 119.26 125.12 2nzd h ALA 91 Ca 0.08 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 2nzd h ALA 91 Cb 0.51 0.53 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 2nzd h ALA 91 CO -0.28 -0.59 0.43 -0.07 0.00 0.00 0.00 179.25 178.74 2nzd h LEU 92 N -0.15 0.91 0.07 0.00 3.38 -1.05 -0.66 115.31 117.81 2nzd h LEU 92 Ca 0.20 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 2nzd h LEU 92 Cb 0.46 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2nzd h LEU 92 CO -0.50 0.72 -0.03 -0.61 0.09 0.00 0.00 178.44 178.10 2nzd h GLN 93 N 1.04 -0.09 -0.61 1.13 4.15 0.31 -0.80 115.11 120.24 2nzd h GLN 93 Ca 0.27 0.01 0.10 0.00 0.77 0.00 0.00 58.65 59.79 2nzd h GLN 93 Cb -0.01 0.02 -0.08 0.00 0.21 0.00 0.00 27.48 27.63 2nzd h GLN 93 CO -0.05 0.18 0.21 0.93 -1.93 0.00 0.00 178.83 178.18 2nzd h GLU 94 N -0.36 0.36 -0.50 1.69 4.39 -0.53 -0.53 114.58 119.11 2nzd h GLU 94 Ca -0.01 -0.02 -0.12 0.00 0.34 0.00 0.00 59.36 59.55 2nzd h GLU 94 Cb 0.31 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 2nzd h GLU 94 CO 0.02 0.24 -0.16 0.00 -1.16 0.00 0.00 179.01 177.95 2nzd h ALA 95 N 1.44 0.69 -0.51 3.43 0.00 -1.03 -1.17 119.26 122.11 2nzd h ALA 95 Ca 0.31 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 2nzd h ALA 95 Cb 0.41 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2nzd h ALA 95 CO -0.33 0.64 -0.01 0.77 0.00 0.00 0.00 179.25 180.32 2nzd h SER 96 N 0.84 0.88 -0.18 0.00 0.02 -0.62 -0.27 113.55 114.22 2nzd h SER 96 Ca 0.12 -0.31 -0.13 0.00 -0.84 0.00 0.00 61.79 60.63 2nzd h SER 96 Cb 0.73 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.03 2nzd h SER 96 CO 0.06 0.98 -0.40 -0.33 -1.14 0.00 0.00 176.83 175.99 2nzd h GLU 97 N 0.76 0.59 -0.70 3.45 5.08 -1.03 0.16 114.58 122.90 2nzd h GLU 97 Ca 0.14 -0.39 0.12 0.00 -1.00 0.00 0.00 59.36 58.23 2nzd h GLU 97 Cb 0.53 0.05 -0.09 0.00 0.50 0.00 0.00 28.75 29.75 2nzd h GLU 97 CO 0.03 1.01 0.27 0.00 -1.00 0.00 0.00 179.01 179.32 2nzd h ALA 98 N 0.58 0.95 -0.30 3.43 0.00 -1.19 0.08 119.26 122.80 2nzd h ALA 98 Ca 0.00 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 2nzd h ALA 98 Cb 1.01 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 2nzd h ALA 98 CO 0.09 -0.19 -0.04 -0.92 0.00 0.00 0.00 179.25 178.19 2nzd h TYR 99 N 0.44 0.62 -0.25 0.00 3.20 -0.72 -2.37 116.97 117.90 2nzd h TYR 99 Ca 0.37 -0.12 -0.17 0.00 3.14 0.00 0.00 58.73 61.95 2nzd h TYR 99 Cb 0.51 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 38.62 2nzd h TYR 99 CO -0.17 0.73 -0.52 -0.07 -1.64 0.00 0.00 178.16 176.50 2nzd h LEU 100 N 0.33 0.78 -1.10 2.82 3.38 -0.54 -1.78 115.31 119.21 2nzd h LEU 100 Ca 0.08 -0.40 -0.03 0.00 0.09 0.00 0.00 57.88 57.62 2nzd h LEU 100 Cb 0.51 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 2nzd h LEU 100 CO 0.02 1.15 0.31 0.58 0.09 0.00 0.00 178.44 180.60 2nzd h VAL 101 N 0.55 1.22 -0.04 1.22 2.07 -0.98 -0.48 116.25 119.81 2nzd h VAL 101 Ca 0.02 -0.62 -0.17 0.00 0.82 0.00 0.00 66.70 66.75 2nzd h VAL 101 Cb 1.08 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 2nzd h VAL 101 CO 0.11 0.26 -0.74 0.00 0.02 0.00 0.00 177.57 177.21 2nzd h ALA 102 N 1.40 0.66 -0.07 1.67 0.00 -1.13 -2.72 119.26 119.07 2nzd h ALA 102 Ca 0.23 -0.63 -0.17 0.00 0.00 0.00 0.00 54.91 54.34 2nzd h ALA 102 Cb 0.11 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2nzd h ALA 102 CO -0.03 0.81 -0.70 1.25 0.00 0.00 0.00 179.25 180.58 2nzd h LEU 103 N 0.17 0.39 -2.09 0.00 5.85 -0.96 -2.09 115.31 116.57 2nzd h LEU 103 Ca -0.03 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.43 2nzd h LEU 103 Cb 1.31 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 42.23 2nzd h LEU 103 CO 0.12 0.97 -0.06 -0.26 -0.34 0.00 0.00 178.44 178.86 2nzd h PHE 104 N 0.22 0.00 -0.03 1.25 0.05 -0.98 0.27 116.94 117.72 2nzd h PHE 104 Ca -0.02 0.00 -0.02 0.00 3.82 0.00 0.00 57.97 61.75 2nzd h PHE 104 Cb 1.26 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 39.21 2nzd h PHE 104 CO 0.03 0.06 -0.05 0.93 -0.18 0.00 0.00 178.31 179.11 2nzd h GLU 105 N 0.00 0.09 -0.49 1.51 5.08 -1.08 -1.45 114.58 118.23 2nzd h GLU 105 Ca -0.00 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.23 2nzd h GLU 105 Cb 0.13 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 2nzd h GLU 105 CO 0.01 0.61 -0.01 -0.44 -1.00 0.00 0.00 179.01 178.17 2nzd h ASP 106 N -0.43 0.81 0.11 1.42 3.32 -1.11 -1.52 116.42 119.02 2nzd h ASP 106 Ca 0.00 -0.21 0.01 0.00 0.02 0.00 0.00 57.03 56.85 2nzd h ASP 106 Cb 0.60 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 2nzd h ASP 106 CO 0.01 0.88 -0.13 0.74 -1.72 0.00 0.00 179.24 179.02 2nzd h THR 107 N 0.77 0.71 -0.88 0.35 2.02 -0.49 -1.57 112.91 113.82 2nzd h THR 107 Ca 0.15 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.41 2nzd h THR 107 Cb 0.49 0.71 -0.06 0.00 -1.74 0.00 0.00 68.15 67.54 2nzd h THR 107 CO 0.02 0.00 0.57 -1.13 0.37 0.00 0.00 175.52 175.35 2nzd h ASN 108 N -0.27 0.82 -0.71 4.18 -1.24 -0.96 -0.22 115.58 117.18 2nzd h ASN 108 Ca 0.01 0.02 -0.05 0.00 0.71 0.00 0.00 56.30 56.99 2nzd h ASN 108 Cb 0.27 -0.16 -0.03 0.00 0.73 0.00 0.00 38.32 39.13 2nzd h ASN 108 CO -0.05 0.50 0.26 -0.07 -1.29 0.00 0.00 177.43 176.79 2nzd h LEU 109 N 0.92 1.00 -0.71 0.34 3.38 -0.71 -1.91 115.31 117.63 2nzd h LEU 109 Ca 0.40 -0.16 -0.13 0.00 0.09 0.00 0.00 57.88 58.08 2nzd h LEU 109 Cb 0.33 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2nzd h LEU 109 CO -0.16 0.91 -0.36 0.00 0.09 0.00 0.00 178.44 178.92 2nzd h ALA 111 N 1.12 0.44 0.00 0.00 0.00 -0.97 -2.63 119.26 117.21 2nzd h ALA 111 Ca 0.05 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 2nzd h ALA 111 Cb 0.85 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2nzd h ALA 111 CO 0.07 -0.20 -0.23 0.82 0.00 0.00 0.00 179.25 179.71 2nzd h ILE 112 N 0.35 0.48 -0.05 0.00 2.04 -0.90 -1.91 117.51 117.53 2nzd h ILE 112 Ca 0.16 -1.31 -0.07 0.00 1.00 0.00 0.00 64.86 64.64 2nzd h ILE 112 Cb 0.08 1.94 -0.01 0.00 -0.74 0.00 0.00 36.82 38.09 2nzd h ILE 112 CO -0.12 0.23 -0.30 -0.74 0.00 0.00 0.00 178.15 177.22 2nzd h HIS 113 N 0.00 0.09 -0.47 1.37 2.76 -0.71 -2.23 115.15 115.97 2nzd h HIS 113 Ca -0.00 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 2nzd h HIS 113 Cb 0.92 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.86 2nzd h HIS 113 CO 0.00 0.38 0.00 0.00 -1.30 0.00 0.00 177.93 177.01 2nzd n ALA 114 N -2.48 3.02 -2.04 5.26 0.00 -0.79 -4.91 120.51 118.57 2nzd n ALA 114 Ca -0.02 -1.18 -0.16 0.00 0.00 0.00 0.00 53.44 52.08 2nzd n ALA 114 Cb 0.36 -1.03 -0.03 0.00 0.00 0.00 0.00 19.45 18.75 2nzd n ALA 114 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2nzd n LYS 115 N 0.72 -1.26 -3.63 0.00 5.02 -0.84 -5.00 118.16 113.17 2nzd n LYS 115 Ca 0.19 0.89 -0.22 0.00 -2.02 0.00 0.00 58.31 57.16 2nzd n LYS 115 Cb 0.72 -5.24 -0.03 0.00 -0.02 0.00 0.00 35.03 30.45 2nzd n LYS 115 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2nzd s ARG 116 N -4.35 2.47 0.00 1.97 0.52 -0.79 -5.01 118.95 113.76 2nzd s ARG 116 Ca 0.00 -1.61 0.00 0.00 -0.52 0.00 0.00 55.73 53.60 2nzd s ARG 116 Cb 0.00 -2.32 0.00 0.00 0.52 0.00 0.00 34.95 33.15 2nzd s ARG 116 CO 0.00 -0.23 0.26 1.33 0.02 0.00 0.00 175.30 176.68 2nzd n VAL 117 N -1.55 0.00 -3.78 3.52 0.24 -1.26 -3.67 118.33 111.83 2nzd n VAL 117 Ca 0.03 -0.35 -0.36 0.00 -2.04 0.00 0.00 64.34 61.62 2nzd n VAL 117 Cb 0.62 1.22 -0.11 0.00 -1.47 0.00 0.00 33.84 34.11 2nzd n VAL 117 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2nzd s THR 118 N -0.18 4.85 0.38 3.34 2.01 -1.26 -5.04 115.64 119.73 2nzd s THR 118 Ca 0.00 0.00 -0.24 0.00 0.31 0.00 0.00 61.69 61.76 2nzd s THR 118 Cb 0.00 -3.25 -0.10 0.00 0.01 0.00 0.00 72.50 69.16 2nzd s THR 118 CO 0.00 0.36 0.99 0.27 -0.69 0.00 0.00 174.62 175.55 2nzd s ILE 119 N 1.18 4.01 0.07 1.82 -4.36 -1.26 -4.89 121.20 117.78 2nzd s ILE 119 Ca 0.06 1.53 -0.05 0.00 -0.26 0.00 0.00 60.65 61.93 2nzd s ILE 119 Cb -0.14 -3.79 -0.02 0.00 1.25 0.00 0.00 42.46 39.76 2nzd s ILE 119 CO 0.04 -0.00 0.08 -0.04 0.24 0.00 0.00 174.94 175.26 2nzd s MET 120 N -2.45 0.72 0.46 0.37 -1.94 -1.26 -5.06 119.30 110.14 2nzd s MET 120 Ca 0.56 -1.08 0.15 0.00 -1.71 0.00 0.00 55.69 53.61 2nzd s MET 120 Cb -0.19 0.28 1.10 0.00 2.01 0.00 0.00 34.83 38.03 2nzd s MET 120 CO 0.24 -0.19 2.01 -1.35 -0.01 0.00 0.00 175.02 175.71 2nzd h PRO 121 N 2.96 0.31 0.00 2.03 0.11 -2.00 0.13 132.00 135.54 2nzd h PRO 121 Ca -0.34 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.74 2nzd h PRO 121 Cb 1.17 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 2nzd h PRO 121 CO 0.61 0.20 -0.05 1.57 -0.21 0.00 0.00 178.00 180.12 2nzd h LYS 122 N 0.32 0.00 0.00 1.05 2.10 -1.98 0.73 116.57 118.79 2nzd h LYS 122 Ca 0.23 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.75 2nzd h LYS 122 Cb 0.51 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.85 2nzd h LYS 122 CO -0.05 0.05 -0.53 -0.44 -2.00 0.00 0.00 179.45 176.47 2nzd h ASP 123 N 0.00 0.47 -0.84 7.07 3.32 -1.32 -1.38 116.42 123.73 2nzd h ASP 123 Ca -0.00 -0.77 -0.01 0.00 0.02 0.00 0.00 57.03 56.27 2nzd h ASP 123 Cb 0.33 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.70 2nzd h ASP 123 CO 0.01 1.17 0.47 0.40 -1.72 0.00 0.00 179.24 179.57 2nzd h ILE 124 N -0.19 1.24 -0.02 0.35 2.04 -1.30 -1.30 117.51 118.33 2nzd h ILE 124 Ca -0.07 -0.59 0.00 0.00 1.00 0.00 0.00 64.86 65.20 2nzd h ILE 124 Cb 1.26 0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 37.44 2nzd h ILE 124 CO 0.11 0.27 0.01 1.56 0.00 0.00 0.00 178.15 180.10 2nzd h GLN 125 N 1.17 0.03 -0.48 2.37 4.20 -0.84 -1.46 115.11 120.10 2nzd h GLN 125 Ca 0.30 -0.00 0.01 0.00 0.06 0.00 0.00 58.65 59.02 2nzd h GLN 125 Cb 0.01 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.76 2nzd h GLN 125 CO -0.05 0.03 0.30 1.25 -0.67 0.00 0.00 178.83 179.69 2nzd h LEU 126 N 0.02 0.51 -0.52 1.46 5.85 -1.09 -0.54 115.31 121.01 2nzd h LEU 126 Ca 0.01 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 2nzd h LEU 126 Cb 0.01 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 2nzd h LEU 126 CO -0.00 0.37 0.26 0.00 -0.34 0.00 0.00 178.44 178.73 2nzd h ALA 127 N 1.19 0.67 -0.43 1.25 0.00 -0.87 -1.71 119.26 119.35 2nzd h ALA 127 Ca 0.18 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 2nzd h ALA 127 Cb -0.03 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 2nzd h ALA 127 CO -0.06 0.22 -0.18 0.00 0.00 0.00 0.00 179.25 179.24 2nzd h ARG 128 N 0.70 0.88 -0.87 0.00 3.08 -1.04 -0.37 114.38 116.76 2nzd h ARG 128 Ca 0.18 -0.37 0.02 0.00 0.07 0.00 0.00 59.98 59.88 2nzd h ARG 128 Cb 0.10 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.07 2nzd h ARG 128 CO -0.02 1.02 0.57 -0.09 -1.07 0.00 0.00 179.97 180.37 2nzd h ARG 129 N 0.71 1.10 -0.01 0.04 9.65 -0.88 -1.42 114.38 123.57 2nzd h ARG 129 Ca 0.10 -0.07 -0.19 0.00 -1.10 0.00 0.00 59.98 58.73 2nzd h ARG 129 Cb 0.74 -0.25 -0.01 0.00 -1.39 0.00 0.00 29.97 29.06 2nzd h ARG 129 CO 0.06 0.73 -0.82 0.82 2.80 0.00 0.00 179.97 183.55 2nzd h ILE 130 N 1.13 1.47 0.00 1.20 2.04 -1.14 -2.49 117.51 119.71 2nzd h ILE 130 Ca 0.33 -2.48 0.00 0.00 1.00 0.00 0.00 64.86 63.71 2nzd h ILE 130 Cb -0.07 2.36 0.00 0.00 -0.74 0.00 0.00 36.82 38.38 2nzd h ILE 130 CO -0.09 0.72 0.00 0.54 0.00 0.00 0.00 178.15 179.32 2nzd n ARG 131 N -3.71 0.06 -0.88 2.37 1.74 -0.16 -4.87 116.66 111.21 2nzd n ARG 131 Ca -0.03 0.22 0.00 0.00 -0.77 0.00 0.00 57.85 57.26 2nzd n ARG 131 Cb 0.77 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.71 2nzd n ARG 131 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2nzd n GLY 132 N 0.05 0.54 0.12 -0.13 0.00 -0.85 -4.92 105.19 99.99 2nzd n GLY 132 Ca 0.05 -0.19 -0.00 0.00 0.00 0.00 0.00 46.02 45.87 2nzd n GLY 132 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2nzd h GLU 133 N 1.10 0.00 -0.03 1.61 5.08 -1.50 -3.49 114.58 117.34 2nzd h GLU 133 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2nzd h GLU 133 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2nzd h GLU 133 CO 0.00 0.63 0.00 0.54 -1.00 0.00 0.00 179.01 179.18