#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nzd s LEU 22 N 0.00 0.62 -0.29 7.52 0.05 -1.26 -5.08 118.68 120.24 2nzd s LEU 22 Ca 0.00 1.41 -0.23 0.00 0.05 0.00 0.00 54.13 55.36 2nzd s LEU 22 Cb 0.00 -3.27 0.16 0.00 -2.05 0.00 0.00 46.19 41.03 2nzd s LEU 22 CO 0.00 -4.31 1.21 -0.60 -0.55 0.00 0.00 176.35 172.10 2nzd s ARG 23 N -4.52 0.26 0.49 1.48 3.52 -1.26 -5.16 118.95 113.77 2nzd s ARG 23 Ca 0.68 0.35 -0.23 0.00 -0.13 0.00 0.00 55.73 56.40 2nzd s ARG 23 Cb -0.24 0.11 -0.07 0.00 -1.56 0.00 0.00 34.95 33.20 2nzd s ARG 23 CO 0.64 -0.04 1.33 0.34 -0.81 0.00 0.00 175.30 176.76 2nzd s ASP 24 N 0.39 5.72 0.13 -2.12 -1.08 -1.26 -4.95 116.67 113.50 2nzd s ASP 24 Ca 0.02 2.69 -0.16 0.00 -0.52 0.00 0.00 52.55 54.58 2nzd s ASP 24 Cb -0.05 -2.63 -0.02 0.00 -1.46 0.00 0.00 42.92 38.76 2nzd s ASP 24 CO -0.11 -1.26 1.65 0.78 0.52 0.00 0.00 175.17 176.75 2nzd h ASN 25 N 1.94 0.54 -0.06 -0.34 2.35 -2.01 -2.37 115.58 115.63 2nzd h ASN 25 Ca -0.50 -0.19 0.02 0.00 -0.55 0.00 0.00 56.30 55.07 2nzd h ASN 25 Cb 1.27 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 39.50 2nzd h ASN 25 CO 0.59 0.59 0.06 -0.29 -1.65 0.00 0.00 177.43 176.74 2nzd h ILE 26 N 0.46 0.59 0.00 2.81 6.09 -1.96 0.67 117.51 126.17 2nzd h ILE 26 Ca 0.12 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.61 2nzd h ILE 26 Cb 0.24 0.95 0.00 0.00 0.47 0.00 0.00 36.82 38.48 2nzd h ILE 26 CO -0.01 0.00 0.00 0.00 -3.07 0.00 0.00 178.15 175.07 2nzd n GLN 27 N -3.95 0.05 0.27 2.19 1.13 -0.90 -2.06 117.38 114.11 2nzd n GLN 27 Ca -0.01 0.06 0.16 0.00 -1.94 0.00 0.00 57.00 55.26 2nzd n GLN 27 Cb 0.16 -1.56 0.66 0.00 0.11 0.00 0.00 30.24 29.61 2nzd n GLN 27 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 2nzd h GLY 28 N 4.75 0.00 -7.32 1.08 0.00 -0.80 -3.33 103.07 97.45 2nzd h GLY 28 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.80 2nzd h GLY 28 CO 0.00 0.00 1.18 -0.42 0.00 0.00 0.00 176.54 177.30 2nzd s ILE 29 N -3.72 3.69 0.61 2.60 -1.09 -0.87 -4.98 121.20 117.44 2nzd s ILE 29 Ca 0.00 0.09 -0.04 0.00 -2.23 0.00 0.00 60.65 58.47 2nzd s ILE 29 Cb 0.10 -4.76 0.03 0.00 -1.58 0.00 0.00 42.46 36.25 2nzd s ILE 29 CO 0.56 -1.69 0.90 0.42 -1.23 0.00 0.00 174.94 173.90 2nzd s THR 30 N 6.31 2.95 0.10 2.92 -4.23 -1.25 -4.88 115.64 117.55 2nzd s THR 30 Ca 0.44 -0.28 -0.23 0.00 -1.18 0.00 0.00 61.69 60.43 2nzd s THR 30 Cb -0.07 -3.19 -0.11 0.00 1.34 0.00 0.00 72.50 70.47 2nzd s THR 30 CO 0.10 -0.18 1.71 0.50 -0.54 0.00 0.00 174.62 176.21 2nzd h LYS 31 N -0.24 -0.14 0.00 3.99 3.64 -1.94 -0.92 116.57 120.97 2nzd h LYS 31 Ca -0.44 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 58.92 2nzd h LYS 31 Cb 1.29 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 33.14 2nzd h LYS 31 CO 0.59 -0.09 -0.10 -1.35 -2.27 0.00 0.00 179.45 176.22 2nzd h PRO 32 N -0.14 0.00 -0.06 1.90 0.11 -1.98 0.48 132.00 132.30 2nzd h PRO 32 Ca 0.02 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.07 2nzd h PRO 32 Cb 0.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.28 2nzd h PRO 32 CO -0.06 0.10 -0.20 0.00 -0.21 0.00 0.00 178.00 177.63 2nzd h ALA 33 N 1.90 0.11 -0.43 -0.75 0.00 -1.87 -1.79 119.26 116.43 2nzd h ALA 33 Ca -0.00 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 2nzd h ALA 33 Cb 0.27 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2nzd h ALA 33 CO 0.01 0.07 0.18 0.82 0.00 0.00 0.00 179.25 180.33 2nzd h ILE 34 N -0.26 1.16 -0.39 0.00 2.04 -0.69 -2.53 117.51 116.84 2nzd h ILE 34 Ca -0.01 -0.50 -0.03 0.00 1.00 0.00 0.00 64.86 65.32 2nzd h ILE 34 Cb 0.83 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 2nzd h ILE 34 CO 0.04 0.19 0.12 -0.09 0.00 0.00 0.00 178.15 178.42 2nzd h ARG 35 N 0.61 0.61 -0.64 2.37 2.43 0.06 -1.77 114.38 118.04 2nzd h ARG 35 Ca 0.15 -0.13 0.04 0.00 -0.81 0.00 0.00 59.98 59.23 2nzd h ARG 35 Cb 0.12 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 29.53 2nzd h ARG 35 CO -0.02 0.62 0.37 0.00 -1.51 0.00 0.00 179.97 179.43 2nzd h ARG 36 N 0.49 0.69 0.12 0.20 3.08 -1.17 -0.75 114.38 117.04 2nzd h ARG 36 Ca 0.13 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 2nzd h ARG 36 Cb 0.26 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.16 2nzd h ARG 36 CO -0.00 0.46 -0.06 -0.07 -1.07 0.00 0.00 179.97 179.23 2nzd h LEU 37 N 0.71 -0.13 -1.22 3.04 3.38 -1.10 0.27 115.31 120.26 2nzd h LEU 37 Ca 0.27 -0.01 0.11 0.00 0.09 0.00 0.00 57.88 58.34 2nzd h LEU 37 Cb 0.10 0.03 -0.07 0.00 0.09 0.00 0.00 40.66 40.82 2nzd h LEU 37 CO -0.14 -0.08 0.57 0.00 0.09 0.00 0.00 178.44 178.88 2nzd h ALA 38 N 0.71 1.69 -0.30 1.53 0.00 -1.20 -1.82 119.26 119.86 2nzd h ALA 38 Ca -0.02 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2nzd h ALA 38 Cb 0.13 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2nzd h ALA 38 CO 0.03 0.11 0.09 0.00 0.00 0.00 0.00 179.25 179.47 2nzd h ARG 39 N 0.83 0.48 -0.20 0.00 2.47 0.28 -1.38 114.38 116.86 2nzd h ARG 39 Ca 0.42 -0.11 -0.01 0.00 -1.26 0.00 0.00 59.98 59.02 2nzd h ARG 39 Cb 0.50 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.74 2nzd h ARG 39 CO -0.19 0.54 0.06 -0.09 0.56 0.00 0.00 179.97 180.85 2nzd h ARG 40 N 0.33 0.28 -0.02 0.04 2.43 -0.53 0.20 114.38 117.10 2nzd h ARG 40 Ca 0.10 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 2nzd h ARG 40 Cb 0.26 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 2nzd h ARG 40 CO -0.00 0.25 0.00 0.41 -1.51 0.00 0.00 179.97 179.12 2nzd n GLY 41 N -1.30 -0.76 2.21 2.80 0.00 -0.59 -4.91 105.19 102.64 2nzd n GLY 41 Ca -0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 2nzd n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nzd n GLY 42 N 0.31 0.21 3.73 -0.02 0.00 0.69 -5.03 105.19 105.07 2nzd n GLY 42 Ca 0.00 -0.45 -0.35 0.00 0.00 0.00 0.00 46.02 45.22 2nzd n GLY 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2nzd s VAL 43 N -2.73 5.41 -0.18 1.61 1.01 -0.81 -5.01 120.40 119.69 2nzd s VAL 43 Ca 0.10 0.19 -0.18 0.00 0.00 0.00 0.00 61.98 62.09 2nzd s VAL 43 Cb -0.05 -3.47 -0.21 0.00 0.00 0.00 0.00 36.38 32.65 2nzd s VAL 43 CO 0.13 0.43 0.28 0.50 0.00 0.00 0.00 175.10 176.45 2nzd h LYS 44 N 6.71 0.07 -5.56 2.72 3.64 -1.95 -3.41 116.57 118.79 2nzd h LYS 44 Ca -0.41 -0.12 -0.51 0.00 -1.27 0.00 0.00 60.65 58.34 2nzd h LYS 44 Cb 1.15 0.05 -0.27 0.00 -0.41 0.00 0.00 32.23 32.75 2nzd h LYS 44 CO 0.75 1.06 -0.82 0.50 -2.27 0.00 0.00 179.45 178.68 2nzd s ARG 45 N -2.41 1.19 -0.09 1.90 3.52 -1.26 -5.13 118.95 116.67 2nzd s ARG 45 Ca -0.27 -0.71 -0.01 0.00 -0.13 0.00 0.00 55.73 54.61 2nzd s ARG 45 Cb 0.06 -1.20 0.03 0.00 -1.56 0.00 0.00 34.95 32.27 2nzd s ARG 45 CO 0.64 0.31 -0.03 0.42 -0.81 0.00 0.00 175.30 175.84 2nzd s ILE 46 N -0.62 0.62 0.51 4.11 1.01 -1.26 -5.14 121.20 120.44 2nzd s ILE 46 Ca 0.05 -0.04 -0.21 0.00 0.00 0.00 0.00 60.65 60.45 2nzd s ILE 46 Cb -0.07 -0.72 -0.06 0.00 0.01 0.00 0.00 42.46 41.61 2nzd s ILE 46 CO 0.01 0.30 1.16 -0.55 0.00 0.00 0.00 174.94 175.85 2nzd s SER 47 N 1.83 5.87 0.49 3.58 0.15 -1.26 -4.93 113.70 119.44 2nzd s SER 47 Ca 0.04 2.27 0.23 0.00 0.70 0.00 0.00 55.95 59.20 2nzd s SER 47 Cb -0.12 -2.59 1.29 0.00 -1.71 0.00 0.00 66.02 62.88 2nzd s SER 47 CO -0.06 -1.12 2.03 1.23 1.20 0.00 0.00 173.24 176.52 2nzd h GLY 48 N 1.57 0.00 1.78 9.45 0.00 -2.05 -2.27 103.07 111.54 2nzd h GLY 48 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.83 2nzd h GLY 48 CO 0.58 0.00 0.00 1.04 0.00 0.00 0.00 176.54 178.16 2nzd n LEU 49 N -3.82 0.00 0.15 3.11 4.77 -1.26 -3.74 117.00 116.20 2nzd n LEU 49 Ca -0.02 0.39 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 2nzd n LEU 49 Cb 0.25 -0.39 0.29 0.00 -2.33 0.00 0.00 43.42 41.24 2nzd n LEU 49 CO 0.32 -0.05 0.67 0.40 -1.33 0.00 0.00 177.39 177.41 2nzd h ILE 50 N 0.00 1.30 -0.10 -0.08 1.08 -1.79 -3.00 117.51 114.92 2nzd h ILE 50 Ca 0.00 -1.46 -0.01 0.00 -0.39 0.00 0.00 64.86 63.00 2nzd h ILE 50 Cb 0.34 1.73 -0.00 0.00 -3.07 0.00 0.00 36.82 35.82 2nzd h ILE 50 CO 0.00 0.42 0.02 1.88 -0.69 0.00 0.00 178.15 179.79 2nzd h TYR 51 N 0.08 0.16 -0.73 1.37 0.05 -1.78 0.26 116.97 116.37 2nzd h TYR 51 Ca 0.01 -0.02 -0.04 0.00 0.05 0.00 0.00 58.73 58.73 2nzd h TYR 51 Cb 0.76 -0.05 -0.03 0.00 1.01 0.00 0.00 36.73 38.42 2nzd h TYR 51 CO 0.00 0.33 0.31 0.93 -1.05 0.00 0.00 178.16 178.68 2nzd h GLU 52 N -0.05 1.08 -0.91 4.88 4.39 -1.82 -1.98 114.58 120.17 2nzd h GLU 52 Ca 0.03 -0.18 0.01 0.00 0.34 0.00 0.00 59.36 59.56 2nzd h GLU 52 Cb 0.24 -0.18 -0.05 0.00 -0.10 0.00 0.00 28.75 28.67 2nzd h GLU 52 CO 0.00 0.87 0.60 1.49 -1.16 0.00 0.00 179.01 180.81 2nzd h GLU 53 N 1.04 1.18 -0.54 2.33 4.57 -1.33 -1.97 114.58 119.86 2nzd h GLU 53 Ca 0.25 -0.07 -0.07 0.00 -1.18 0.00 0.00 59.36 58.28 2nzd h GLU 53 Cb 0.18 -0.27 -0.02 0.00 -0.16 0.00 0.00 28.75 28.48 2nzd h GLU 53 CO -0.02 0.78 0.05 1.15 -1.18 0.00 0.00 179.01 179.79 2nzd h THR 54 N 1.22 1.26 -0.81 0.32 2.02 -0.21 -2.07 112.91 114.64 2nzd h THR 54 Ca 0.34 -1.02 -0.04 0.00 0.77 0.00 0.00 66.41 66.46 2nzd h THR 54 Cb -0.12 0.86 -0.04 0.00 -1.74 0.00 0.00 68.15 67.11 2nzd h THR 54 CO -0.08 0.37 0.36 0.03 0.37 0.00 0.00 175.52 176.57 2nzd h ARG 55 N 0.80 1.19 -0.72 6.66 3.08 -1.04 0.56 114.38 124.92 2nzd h ARG 55 Ca 0.16 -0.19 0.04 0.00 0.07 0.00 0.00 59.98 60.05 2nzd h ARG 55 Cb 0.46 -0.20 -0.05 0.00 0.08 0.00 0.00 29.97 30.25 2nzd h ARG 55 CO 0.02 0.93 0.44 0.78 -1.07 0.00 0.00 179.97 181.08 2nzd h GLY 56 N 1.16 1.04 1.13 0.04 0.00 -1.19 0.07 103.07 105.33 2nzd h GLY 56 Ca 0.28 -0.33 -0.16 0.00 0.00 0.00 0.00 47.33 47.12 2nzd h GLY 56 CO -0.03 0.27 -0.36 -2.08 0.00 0.00 0.00 176.54 174.34 2nzd h VAL 57 N 0.86 1.27 -0.50 4.60 2.07 -0.66 -1.86 116.25 122.03 2nzd h VAL 57 Ca 0.29 -1.53 -0.03 0.00 0.82 0.00 0.00 66.70 66.25 2nzd h VAL 57 Cb 0.05 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 2nzd h VAL 57 CO -0.12 0.52 0.18 0.25 0.02 0.00 0.00 177.57 178.42 2nzd h LEU 58 N 0.79 0.70 -0.77 2.57 5.85 -0.74 0.29 115.31 124.00 2nzd h LEU 58 Ca 0.07 -0.18 0.06 0.00 0.84 0.00 0.00 57.88 58.66 2nzd h LEU 58 Cb 0.95 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.74 2nzd h LEU 58 CO 0.09 0.69 0.46 0.50 -0.34 0.00 0.00 178.44 179.84 2nzd h LYS 59 N 0.67 0.82 -0.20 1.25 3.64 -0.74 0.73 116.57 122.73 2nzd h LYS 59 Ca 0.16 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.39 2nzd h LYS 59 Cb 0.22 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 31.86 2nzd h LYS 59 CO -0.01 0.54 -0.28 0.28 -2.27 0.00 0.00 179.45 177.71 2nzd h VAL 60 N 0.85 1.33 0.02 2.00 2.07 -1.05 -0.63 116.25 120.83 2nzd h VAL 60 Ca 0.34 -1.48 0.02 0.00 0.82 0.00 0.00 66.70 66.40 2nzd h VAL 60 Cb 0.16 1.80 -0.05 0.00 -1.52 0.00 0.00 31.29 31.68 2nzd h VAL 60 CO -0.17 0.45 -0.53 0.15 0.02 0.00 0.00 177.57 177.50 2nzd h PHE 61 N 0.22 -1.55 -0.96 1.57 3.57 -0.58 -2.45 116.94 116.77 2nzd h PHE 61 Ca 0.02 0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.59 2nzd h PHE 61 Cb 0.85 0.67 -0.05 0.00 2.79 0.00 0.00 35.95 40.22 2nzd h PHE 61 CO 0.08 -0.58 0.63 -0.07 -2.23 0.00 0.00 178.31 176.15 2nzd h LEU 62 N -0.68 1.09 -0.14 0.59 3.38 -0.82 -2.40 115.31 116.33 2nzd h LEU 62 Ca 0.01 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.97 2nzd h LEU 62 Cb 0.73 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 2nzd h LEU 62 CO -0.35 0.78 0.03 -0.33 0.09 0.00 0.00 178.44 178.66 2nzd h GLU 63 N 1.28 0.09 -0.92 1.13 5.08 -0.90 0.86 114.58 121.20 2nzd h GLU 63 Ca 0.36 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 2nzd h GLU 63 Cb -0.12 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.07 2nzd h GLU 63 CO -0.08 0.06 0.59 -0.91 -1.00 0.00 0.00 179.01 177.66 2nzd h ASN 64 N 0.09 1.08 0.01 1.42 2.35 -1.12 0.90 115.58 120.30 2nzd h ASN 64 Ca 0.06 -0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 55.77 2nzd h ASN 64 Cb 0.05 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.15 2nzd h ASN 64 CO -0.08 0.80 -0.01 0.58 -1.65 0.00 0.00 177.43 177.08 2nzd h VAL 65 N 1.26 1.48 -0.49 2.81 2.07 -1.12 -3.12 116.25 119.14 2nzd h VAL 65 Ca 0.33 -1.53 -0.06 0.00 0.82 0.00 0.00 66.70 66.26 2nzd h VAL 65 Cb -0.11 2.51 -0.02 0.00 -1.52 0.00 0.00 31.29 32.15 2nzd h VAL 65 CO -0.07 0.39 0.06 0.40 0.02 0.00 0.00 177.57 178.38 2nzd h ILE 66 N -0.68 1.23 -0.44 4.57 2.04 -0.82 -0.99 117.51 122.43 2nzd h ILE 66 Ca -0.00 -0.88 0.08 0.00 1.00 0.00 0.00 64.86 65.06 2nzd h ILE 66 Cb 0.65 0.79 -0.06 0.00 -0.74 0.00 0.00 36.82 37.46 2nzd h ILE 66 CO 0.00 0.32 0.06 -0.09 0.00 0.00 0.00 178.15 178.44 2nzd h ARG 67 N 0.73 0.17 -0.32 2.37 2.43 -0.87 -0.39 114.38 118.51 2nzd h ARG 67 Ca 0.15 -0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.19 2nzd h ARG 67 Cb 0.36 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 2nzd h ARG 67 CO 0.01 0.12 -0.27 -0.44 -1.51 0.00 0.00 179.97 177.87 2nzd h ASP 68 N 0.18 0.79 0.61 -3.80 5.19 -1.37 -1.88 116.42 116.15 2nzd h ASP 68 Ca 0.22 -0.45 -0.03 0.00 -0.62 0.00 0.00 57.03 56.15 2nzd h ASP 68 Cb 0.29 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 39.58 2nzd h ASP 68 CO -0.31 1.08 -0.32 0.00 -3.12 0.00 0.00 179.24 176.57 2nzd h ALA 69 N 0.74 -0.87 -0.65 3.45 0.00 -0.73 -0.80 119.26 120.39 2nzd h ALA 69 Ca 0.06 -0.18 0.12 0.00 0.00 0.00 0.00 54.91 54.91 2nzd h ALA 69 Cb 0.84 0.37 -0.12 0.00 0.00 0.00 0.00 17.79 18.88 2nzd h ALA 69 CO 0.07 -0.99 -0.25 0.28 0.00 0.00 0.00 179.25 178.36 2nzd h VAL 70 N -0.86 0.24 -0.67 0.00 2.07 -1.15 0.31 116.25 116.19 2nzd h VAL 70 Ca -0.08 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.58 2nzd h VAL 70 Cb 0.68 0.24 -0.11 0.00 -1.52 0.00 0.00 31.29 30.58 2nzd h VAL 70 CO 0.11 0.00 0.06 0.74 0.02 0.00 0.00 177.57 178.51 2nzd h THR 71 N -0.07 0.49 -0.48 2.57 2.02 -0.91 0.16 112.91 116.69 2nzd h THR 71 Ca 0.29 -0.06 0.02 0.00 0.77 0.00 0.00 66.41 67.43 2nzd h THR 71 Cb 0.53 0.30 -0.03 0.00 -1.74 0.00 0.00 68.15 67.21 2nzd h THR 71 CO -0.70 0.03 0.29 1.88 0.37 0.00 0.00 175.52 177.39 2nzd h TYR 72 N 0.17 0.55 0.46 3.16 0.99 0.77 -2.25 116.97 120.82 2nzd h TYR 72 Ca 0.36 0.02 -0.01 0.00 2.00 0.00 0.00 58.73 61.10 2nzd h TYR 72 Cb 0.60 -0.18 -0.03 0.00 1.00 0.00 0.00 36.73 38.13 2nzd h TYR 72 CO -0.33 0.33 -0.51 1.15 -0.00 0.00 0.00 178.16 178.80 2nzd h THR 73 N 0.59 0.02 -0.81 -2.88 2.02 0.12 -2.58 112.91 109.38 2nzd h THR 73 Ca 0.19 0.00 0.18 0.00 0.77 0.00 0.00 66.41 67.54 2nzd h THR 73 Cb -0.01 0.02 -0.11 0.00 -1.74 0.00 0.00 68.15 66.30 2nzd h THR 73 CO -0.07 0.00 0.30 -0.33 0.37 0.00 0.00 175.52 175.79 2nzd h GLU 74 N -0.98 0.37 -0.78 6.66 5.08 -1.05 -0.45 114.58 123.44 2nzd h GLU 74 Ca -0.05 -0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.34 2nzd h GLU 74 Cb 0.86 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.98 2nzd h GLU 74 CO -0.09 0.24 0.51 1.25 -1.00 0.00 0.00 179.01 179.93 2nzd h HIS 75 N 0.38 0.87 -0.00 4.33 2.76 -1.03 -0.93 115.15 121.54 2nzd h HIS 75 Ca 0.47 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.67 2nzd h HIS 75 Cb 0.82 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 29.49 2nzd h HIS 75 CO -0.18 0.48 -0.08 0.00 -1.30 0.00 0.00 177.93 176.84 2nzd n ALA 76 N -2.43 2.58 -3.09 5.26 0.00 -0.22 -4.92 120.51 117.68 2nzd n ALA 76 Ca 0.11 -0.16 -0.13 0.00 0.00 0.00 0.00 53.44 53.26 2nzd n ALA 76 Cb 0.19 -1.41 0.05 0.00 0.00 0.00 0.00 19.45 18.28 2nzd n ALA 76 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2nzd n LYS 77 N -1.41 -4.56 -4.24 0.00 5.02 -0.35 -5.05 118.16 107.56 2nzd n LYS 77 Ca 0.09 0.49 -0.24 0.00 -2.02 0.00 0.00 58.31 56.63 2nzd n LYS 77 Cb 0.32 -4.49 -0.08 0.00 -0.02 0.00 0.00 35.03 30.76 2nzd n LYS 77 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2nzd s ARG 78 N -5.59 2.19 0.00 1.97 0.52 -1.16 -5.04 118.95 111.84 2nzd s ARG 78 Ca 0.28 -1.71 0.10 0.00 -0.52 0.00 0.00 55.73 53.88 2nzd s ARG 78 Cb -0.12 -2.01 0.12 0.00 0.52 0.00 0.00 34.95 33.46 2nzd s ARG 78 CO 0.43 0.09 0.90 1.63 0.02 0.00 0.00 175.30 178.37 2nzd n LYS 79 N -1.05 0.87 -4.20 3.54 5.02 -1.26 -4.50 118.16 116.57 2nzd n LYS 79 Ca -0.03 -1.27 -0.34 0.00 -2.02 0.00 0.00 58.31 54.65 2nzd n LYS 79 Cb 0.62 -1.20 -0.15 0.00 -0.02 0.00 0.00 35.03 34.29 2nzd n LYS 79 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2nzd s THR 80 N -0.87 2.97 -0.04 -0.18 2.01 -1.26 -5.09 115.64 113.18 2nzd s THR 80 Ca 0.14 -0.64 -0.30 0.00 0.31 0.00 0.00 61.69 61.19 2nzd s THR 80 Cb 0.09 -2.31 -0.05 0.00 0.01 0.00 0.00 72.50 70.24 2nzd s THR 80 CO 0.13 0.48 1.60 -0.69 -0.69 0.00 0.00 174.62 175.44 2nzd s VAL 81 N 1.13 3.59 0.17 3.82 1.01 -1.26 -4.94 120.40 123.92 2nzd s VAL 81 Ca 0.01 0.79 -0.04 0.00 0.00 0.00 0.00 61.98 62.73 2nzd s VAL 81 Cb -0.14 -3.51 -0.05 0.00 0.00 0.00 0.00 36.38 32.68 2nzd s VAL 81 CO -0.03 -0.06 0.40 0.42 0.00 0.00 0.00 175.10 175.83 2nzd s THR 82 N 3.68 5.16 0.32 3.92 -4.23 -1.26 -4.97 115.64 118.26 2nzd s THR 82 Ca 0.71 -0.03 0.07 0.00 -1.18 0.00 0.00 61.69 61.27 2nzd s THR 82 Cb -0.33 -3.65 0.40 0.00 1.34 0.00 0.00 72.50 70.26 2nzd s THR 82 CO 0.28 -0.03 1.55 0.00 -0.54 0.00 0.00 174.62 175.88 2nzd n ALA 83 N -0.13 0.65 -0.16 3.99 0.00 -1.26 0.29 120.51 123.89 2nzd n ALA 83 Ca -0.03 1.04 -0.07 0.00 0.00 0.00 0.00 53.44 54.38 2nzd n ALA 83 Cb 0.52 -0.84 0.02 0.00 0.00 0.00 0.00 19.45 19.15 2nzd n ALA 83 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 2nzd h MET 84 N 0.00 0.64 -0.65 0.00 2.07 -1.94 0.89 114.93 115.94 2nzd h MET 84 Ca 0.67 -0.04 0.12 0.00 -2.07 0.00 0.00 59.70 58.37 2nzd h MET 84 Cb 1.52 -0.14 -0.08 0.00 -1.87 0.00 0.00 31.60 31.03 2nzd h MET 84 CO -0.88 0.44 0.22 -0.44 1.07 0.00 0.00 176.91 177.32 2nzd h ASP 85 N 0.65 0.17 -0.16 1.22 3.32 -0.52 0.26 116.42 121.36 2nzd h ASP 85 Ca 0.18 0.10 -0.06 0.00 0.02 0.00 0.00 57.03 57.27 2nzd h ASP 85 Cb -0.06 0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.59 2nzd h ASP 85 CO -0.04 0.08 -0.13 0.58 -1.72 0.00 0.00 179.24 178.01 2nzd h VAL 86 N 0.37 1.33 -0.68 -1.35 2.07 -0.95 -1.18 116.25 115.86 2nzd h VAL 86 Ca 0.34 -1.26 0.11 0.00 0.82 0.00 0.00 66.70 66.72 2nzd h VAL 86 Cb 0.49 1.80 -0.08 0.00 -1.52 0.00 0.00 31.29 31.97 2nzd h VAL 86 CO -0.37 0.37 0.28 0.58 0.02 0.00 0.00 177.57 178.45 2nzd h VAL 87 N 0.03 0.74 -0.14 2.57 2.07 -0.02 0.26 116.25 121.77 2nzd h VAL 87 Ca 0.03 -0.16 -0.13 0.00 0.82 0.00 0.00 66.70 67.27 2nzd h VAL 87 Cb 0.65 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 2nzd h VAL 87 CO 0.03 0.08 -0.47 1.88 0.02 0.00 0.00 177.57 179.12 2nzd h TYR 88 N 0.46 0.41 0.06 1.57 0.99 -0.40 -1.83 116.97 118.23 2nzd h TYR 88 Ca 0.35 -0.13 -0.00 0.00 2.00 0.00 0.00 58.73 60.95 2nzd h TYR 88 Cb 0.47 -0.09 0.00 0.00 1.00 0.00 0.00 36.73 38.11 2nzd h TYR 88 CO -0.16 0.75 -0.03 0.00 -0.00 0.00 0.00 178.16 178.72 2nzd h ALA 89 N 1.23 -0.08 -0.71 3.88 0.00 -0.02 -2.63 119.26 120.94 2nzd h ALA 89 Ca 0.02 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 54.93 2nzd h ALA 89 Cb 0.93 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.68 2nzd h ALA 89 CO 0.08 -0.47 0.37 -0.07 0.00 0.00 0.00 179.25 179.16 2nzd h LEU 90 N -0.21 0.51 -0.61 0.00 3.38 -0.93 -1.78 115.31 115.66 2nzd h LEU 90 Ca -0.01 0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.06 2nzd h LEU 90 Cb 0.19 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.85 2nzd h LEU 90 CO 0.01 0.30 0.34 0.50 0.09 0.00 0.00 178.44 179.69 2nzd h LYS 91 N 0.65 0.64 0.00 1.13 3.64 -1.17 0.83 116.57 122.28 2nzd h LYS 91 Ca 0.34 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.68 2nzd h LYS 91 Cb 0.31 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 2nzd h LYS 91 CO -0.24 0.42 0.00 2.89 -2.27 0.00 0.00 179.45 180.25 2nzd n ARG 92 N -4.80 0.23 -0.07 1.90 1.85 -0.86 -2.31 116.66 112.61 2nzd n ARG 92 Ca 0.07 0.20 0.05 0.00 -1.00 0.00 0.00 57.85 57.16 2nzd n ARG 92 Cb 0.14 -1.77 0.19 0.00 -1.05 0.00 0.00 32.46 29.97 2nzd n ARG 92 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 2nzd n GLN 93 N -2.16 1.35 -2.16 2.89 1.13 -0.73 -4.88 117.38 112.81 2nzd n GLN 93 Ca 0.06 -0.54 -0.17 0.00 -1.94 0.00 0.00 57.00 54.41 2nzd n GLN 93 Cb 0.41 -1.19 -0.02 0.00 0.11 0.00 0.00 30.24 29.55 2nzd n GLN 93 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2nzd n GLY 94 N 0.81 0.05 2.56 1.08 0.00 -0.98 -4.95 105.19 103.76 2nzd n GLY 94 Ca 0.08 -0.19 -0.20 0.00 0.00 0.00 0.00 46.02 45.71 2nzd n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2nzd n ARG 95 N -2.59 2.49 -1.53 1.61 5.12 0.24 -5.03 116.66 116.96 2nzd n ARG 95 Ca -0.19 -4.02 -0.58 0.00 -1.93 0.00 0.00 57.85 51.12 2nzd n ARG 95 Cb 0.63 -1.85 -0.08 0.00 -1.16 0.00 0.00 32.46 30.00 2nzd n ARG 95 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 2nzd n THR 96 N -0.29 0.00 -5.02 0.55 -1.04 -1.20 -4.43 114.28 102.85 2nzd n THR 96 Ca 0.27 -0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.96 2nzd n THR 96 Cb 0.71 -0.18 -0.15 0.00 -1.82 0.00 0.00 70.33 68.89 2nzd n THR 96 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 2nzd s LEU 97 N 0.31 2.41 -0.13 -4.42 2.96 -1.26 -4.98 118.68 113.57 2nzd s LEU 97 Ca 0.91 -0.41 -0.05 0.00 -0.22 0.00 0.00 54.13 54.36 2nzd s LEU 97 Cb -1.23 -1.50 -0.04 0.00 0.50 0.00 0.00 46.19 43.93 2nzd s LEU 97 CO 0.57 0.21 0.04 -0.31 -1.32 0.00 0.00 176.35 175.54 2nzd s TYR 98 N 0.08 3.25 0.00 5.38 1.51 -1.26 -4.68 117.35 121.64 2nzd s TYR 98 Ca -0.08 0.17 0.00 0.00 -1.01 0.00 0.00 57.07 56.15 2nzd s TYR 98 Cb -0.15 -1.92 0.00 0.00 -0.11 0.00 0.00 41.96 39.78 2nzd s TYR 98 CO 0.05 0.38 0.00 0.41 -1.11 0.00 0.00 175.55 175.28 2nzd n GLY 99 N 2.66 0.96 0.19 0.71 0.00 -1.26 -5.02 105.19 103.43 2nzd n GLY 99 Ca -0.18 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.89 2nzd n GLY 99 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2nzd n PHE 100 N 0.00 0.00 0.00 1.61 3.01 -1.26 -5.11 117.46 115.70 2nzd n PHE 100 Ca 0.00 -0.60 0.00 0.00 1.01 0.00 0.00 57.45 57.86 2nzd n PHE 100 Cb 0.00 -0.10 0.00 0.00 -0.01 0.00 0.00 39.48 39.37 2nzd n PHE 100 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2nzd n GLY 101 N -0.83 1.80 3.90 1.37 0.00 -1.26 -4.57 105.19 105.60 2nzd n GLY 101 Ca 0.09 -2.19 0.00 0.00 0.00 0.00 0.00 46.02 43.92 2nzd n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93