#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nzd n THR 29 N 0.00 2.03 -2.62 -0.18 5.66 -1.26 -4.92 114.28 112.99 2nzd n THR 29 Ca 0.00 -0.50 -0.42 0.00 -3.05 0.00 0.00 64.05 60.08 2nzd n THR 29 Cb 0.00 -0.71 -0.03 0.00 -1.55 0.00 0.00 70.33 68.04 2nzd n THR 29 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2nzd s ARG 30 N -1.73 4.51 -0.46 1.09 1.70 -1.26 -5.02 118.95 117.78 2nzd s ARG 30 Ca 0.64 1.53 0.01 0.00 -0.47 0.00 0.00 55.73 57.44 2nzd s ARG 30 Cb -0.59 -3.44 0.12 0.00 -0.57 0.00 0.00 34.95 30.48 2nzd s ARG 30 CO 0.57 -0.14 0.21 -1.59 -1.08 0.00 0.00 175.30 173.28 2nzd s LYS 31 N 1.13 1.93 0.31 3.89 -2.85 -1.26 -5.09 119.74 117.80 2nzd s LYS 31 Ca 0.54 -2.19 -0.28 0.00 -1.00 0.00 0.00 55.97 53.04 2nzd s LYS 31 Cb -0.23 -3.42 -0.13 0.00 -2.06 0.00 0.00 37.83 31.99 2nzd s LYS 31 CO 0.27 -1.06 1.18 0.39 0.10 0.00 0.00 175.35 176.24 2nzd n GLU 32 N 3.88 1.78 -4.37 1.78 1.02 -1.26 -5.05 120.64 118.42 2nzd n GLU 32 Ca 0.04 0.63 -0.20 0.00 -0.02 0.00 0.00 57.16 57.60 2nzd n GLU 32 Cb 0.38 -2.12 -0.09 0.00 -0.02 0.00 0.00 31.44 29.59 2nzd n GLU 32 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2nzd s SER 33 N -0.36 1.84 -0.09 1.62 1.04 -1.26 -5.05 113.70 111.43 2nzd s SER 33 Ca 0.58 -1.59 0.15 0.00 0.48 0.00 0.00 55.95 55.57 2nzd s SER 33 Cb -0.63 0.40 0.59 0.00 0.10 0.00 0.00 66.02 66.48 2nzd s SER 33 CO 0.60 -0.89 1.47 -1.22 0.98 0.00 0.00 173.24 174.18 2nzd n TYR 34 N -0.66 1.23 -0.07 5.02 4.02 -1.26 -4.73 117.16 120.72 2nzd n TYR 34 Ca -0.00 -0.49 -0.07 0.00 -0.01 0.00 0.00 57.90 57.33 2nzd n TYR 34 Cb 0.65 -0.21 -0.01 0.00 -0.02 0.00 0.00 39.34 39.75 2nzd n TYR 34 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2nzd h ALA 35 N 3.86 0.24 -0.27 -0.72 0.00 -1.96 0.63 119.26 121.04 2nzd h ALA 35 Ca 0.00 0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 2nzd h ALA 35 Cb 1.24 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 2nzd h ALA 35 CO 0.20 -0.41 -0.25 -0.84 0.00 0.00 0.00 179.25 177.95 2nzd h ILE 36 N 0.09 1.27 -0.46 0.00 3.07 -1.99 0.12 117.51 119.61 2nzd h ILE 36 Ca 0.13 -1.28 -0.11 0.00 1.55 0.00 0.00 64.86 65.15 2nzd h ILE 36 Cb 0.17 1.33 -0.01 0.00 -0.27 0.00 0.00 36.82 38.03 2nzd h ILE 36 CO -0.21 0.41 -0.14 1.88 -1.05 0.00 0.00 178.15 179.03 2nzd h TYR 37 N 0.46 1.03 -0.44 0.16 -1.99 -1.77 -0.98 116.97 113.44 2nzd h TYR 37 Ca 0.07 -0.23 -0.06 0.00 2.00 0.00 0.00 58.73 60.50 2nzd h TYR 37 Cb 0.68 -0.25 -0.02 0.00 2.00 0.00 0.00 36.73 39.14 2nzd h TYR 37 CO 0.02 1.01 0.03 0.28 -0.00 0.00 0.00 178.16 179.51 2nzd h VAL 38 N 0.75 1.26 -0.51 -2.88 2.07 -0.26 -2.55 116.25 114.12 2nzd h VAL 38 Ca 0.11 -0.98 -0.09 0.00 0.82 0.00 0.00 66.70 66.56 2nzd h VAL 38 Cb 0.70 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 2nzd h VAL 38 CO 0.05 0.34 -0.03 0.22 0.02 0.00 0.00 177.57 178.17 2nzd h TYR 39 N 0.61 1.01 -0.39 1.57 3.20 -0.71 0.15 116.97 122.42 2nzd h TYR 39 Ca 0.13 -0.19 0.08 0.00 3.14 0.00 0.00 58.73 61.89 2nzd h TYR 39 Cb 0.45 -0.26 -0.07 0.00 1.54 0.00 0.00 36.73 38.39 2nzd h TYR 39 CO 0.03 0.95 -0.07 0.87 -1.64 0.00 0.00 178.16 178.30 2nzd h LYS 40 N 0.78 0.03 -0.34 1.82 1.57 -1.05 -1.70 116.57 117.67 2nzd h LYS 40 Ca 0.14 -0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.81 2nzd h LYS 40 Cb 0.57 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 2nzd h LYS 40 CO 0.03 0.02 -0.23 0.28 -0.57 0.00 0.00 179.45 178.98 2nzd h VAL 41 N 0.03 1.27 -0.65 0.50 2.07 -1.05 -1.21 116.25 117.21 2nzd h VAL 41 Ca 0.19 -1.32 0.04 0.00 0.82 0.00 0.00 66.70 66.44 2nzd h VAL 41 Cb 0.29 1.26 -0.04 0.00 -1.52 0.00 0.00 31.29 31.28 2nzd h VAL 41 CO -0.38 0.43 0.43 0.25 0.02 0.00 0.00 177.57 178.32 2nzd h LEU 42 N 0.59 0.63 -0.26 2.57 5.85 -0.46 -2.72 115.31 121.51 2nzd h LEU 42 Ca 0.08 -0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.59 2nzd h LEU 42 Cb 0.71 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.61 2nzd h LEU 42 CO 0.05 0.42 -0.74 0.11 -0.34 0.00 0.00 178.44 177.95 2nzd h LYS 43 N 0.72 0.68 -0.86 1.25 1.79 -0.33 -1.26 116.57 118.58 2nzd h LYS 43 Ca 0.27 -0.54 0.06 0.00 -2.18 0.00 0.00 60.65 58.25 2nzd h LYS 43 Cb 0.14 0.11 -0.06 0.00 -1.58 0.00 0.00 32.23 30.84 2nzd h LYS 43 CO -0.08 1.16 0.54 1.96 -1.08 0.00 0.00 179.45 181.95 2nzd h GLN 44 N 0.47 0.96 0.05 3.15 4.20 -1.25 -2.94 115.11 119.76 2nzd h GLN 44 Ca -0.04 -0.06 -0.34 0.00 0.06 0.00 0.00 58.65 58.27 2nzd h GLN 44 Cb 1.35 -0.22 -0.04 0.00 0.30 0.00 0.00 27.48 28.87 2nzd h GLN 44 CO 0.15 0.63 -1.97 1.33 -0.67 0.00 0.00 178.83 178.30 2nzd n VAL 45 N -4.61 1.65 -3.55 -0.54 0.24 -1.05 -4.66 118.33 105.82 2nzd n VAL 45 Ca 0.12 -0.72 -0.28 0.00 -2.04 0.00 0.00 64.34 61.42 2nzd n VAL 45 Cb 0.16 -1.31 -0.11 0.00 -1.47 0.00 0.00 33.84 31.11 2nzd n VAL 45 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 2nzd s HIS 46 N -2.56 1.57 0.61 6.34 3.76 -0.49 -5.02 115.29 119.50 2nzd s HIS 46 Ca -0.16 -2.37 0.29 0.00 -0.15 0.00 0.00 55.06 52.68 2nzd s HIS 46 Cb 0.07 -1.38 1.51 0.00 1.11 0.00 0.00 32.58 33.89 2nzd s HIS 46 CO 0.78 -0.78 1.91 -1.35 -0.85 0.00 0.00 174.74 174.45 2nzd h PRO 47 N 6.08 0.00 -0.18 8.40 0.11 -1.71 -2.12 132.00 142.58 2nzd h PRO 47 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 2nzd h PRO 47 Cb 0.90 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.01 2nzd h PRO 47 CO 0.42 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.96 2nzd n ASP 48 N -3.52 2.50 -4.81 -2.05 8.00 -1.26 -4.95 116.55 110.45 2nzd n ASP 48 Ca 0.05 -1.74 -0.36 0.00 0.71 0.00 0.00 54.79 53.46 2nzd n ASP 48 Cb 0.58 -0.12 -0.07 0.00 -0.02 0.00 0.00 41.12 41.49 2nzd n ASP 48 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2nzd s THR 49 N -1.03 5.43 0.47 -3.53 2.01 -0.80 -5.11 115.64 113.08 2nzd s THR 49 Ca 0.20 0.19 0.08 0.00 0.31 0.00 0.00 61.69 62.46 2nzd s THR 49 Cb 0.12 -3.41 0.03 0.00 0.01 0.00 0.00 72.50 69.25 2nzd s THR 49 CO 0.17 0.54 0.65 -0.83 -0.69 0.00 0.00 174.62 174.45 2nzd s GLY 50 N -0.39 1.89 -0.05 4.40 0.00 -1.26 -4.90 107.32 107.01 2nzd s GLY 50 Ca 0.12 -1.75 0.04 0.00 0.00 0.00 0.00 44.72 43.12 2nzd s GLY 50 CO 0.01 -1.49 -0.16 -1.50 0.00 0.00 0.00 173.10 169.97 2nzd s ILE 51 N -2.47 1.33 0.69 0.90 2.07 -1.26 -5.14 121.20 117.31 2nzd s ILE 51 Ca 0.57 -0.65 -0.12 0.00 -1.41 0.00 0.00 60.65 59.04 2nzd s ILE 51 Cb -0.09 -1.16 0.01 0.00 0.13 0.00 0.00 42.46 41.35 2nzd s ILE 51 CO 0.35 0.39 1.07 -0.94 -1.91 0.00 0.00 174.94 173.90 2nzd s SER 52 N 0.18 5.29 0.24 4.50 1.04 -1.26 -4.85 113.70 118.84 2nzd s SER 52 Ca -0.06 1.71 0.02 0.00 0.48 0.00 0.00 55.95 58.10 2nzd s SER 52 Cb -0.12 -2.51 0.26 0.00 0.10 0.00 0.00 66.02 63.75 2nzd s SER 52 CO 0.03 -1.50 1.59 0.77 0.98 0.00 0.00 173.24 175.10 2nzd h SER 53 N -0.53 0.41 -0.53 7.02 4.64 -2.01 0.75 113.55 123.31 2nzd h SER 53 Ca -0.44 -0.20 0.03 0.00 -0.47 0.00 0.00 61.79 60.70 2nzd h SER 53 Cb 1.22 -0.12 -0.04 0.00 -0.31 0.00 0.00 62.40 63.15 2nzd h SER 53 CO 0.56 0.84 0.31 0.11 -0.87 0.00 0.00 176.83 177.78 2nzd h LYS 54 N 0.30 0.60 -0.09 4.77 1.57 -1.98 0.54 116.57 122.27 2nzd h LYS 54 Ca 0.01 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 2nzd h LYS 54 Cb 0.99 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.15 2nzd h LYS 54 CO 0.09 0.40 -0.19 0.00 -0.57 0.00 0.00 179.45 179.17 2nzd h ALA 55 N 1.25 1.51 -0.12 3.86 0.00 -1.82 -0.31 119.26 123.63 2nzd h ALA 55 Ca 0.22 -0.23 -0.21 0.00 0.00 0.00 0.00 54.91 54.69 2nzd h ALA 55 Cb 0.04 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.77 2nzd h ALA 55 CO -0.11 0.35 -0.77 1.98 0.00 0.00 0.00 179.25 180.70 2nzd h MET 56 N 0.14 0.65 -0.46 0.00 1.85 -0.03 -1.72 114.93 115.36 2nzd h MET 56 Ca 0.03 -0.54 0.05 0.00 -0.61 0.00 0.00 59.70 58.63 2nzd h MET 56 Cb 0.43 0.11 -0.05 0.00 0.43 0.00 0.00 31.60 32.52 2nzd h MET 56 CO 0.03 1.15 0.20 1.03 -0.40 0.00 0.00 176.91 178.92 2nzd h SER 57 N 0.44 0.25 -0.94 1.39 0.87 0.64 0.03 113.55 116.22 2nzd h SER 57 Ca -0.05 0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 60.55 2nzd h SER 57 Cb 1.38 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.30 2nzd h SER 57 CO 0.15 0.18 0.59 0.40 -0.53 0.00 0.00 176.83 177.61 2nzd h ILE 58 N 0.39 1.25 -0.64 2.23 2.04 -0.97 -1.66 117.51 120.16 2nzd h ILE 58 Ca 0.21 -0.52 -0.05 0.00 1.00 0.00 0.00 64.86 65.50 2nzd h ILE 58 Cb 0.17 -0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 36.13 2nzd h ILE 58 CO -0.19 0.26 0.21 0.24 0.00 0.00 0.00 178.15 178.67 2nzd h MET 59 N 1.29 0.98 -0.80 2.37 2.86 -0.71 -0.63 114.93 120.30 2nzd h MET 59 Ca 0.34 -0.20 -0.03 0.00 -2.06 0.00 0.00 59.70 57.74 2nzd h MET 59 Cb -0.09 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 31.39 2nzd h MET 59 CO -0.07 0.86 0.37 -0.97 1.06 0.00 0.00 176.91 178.16 2nzd h ASN 60 N 0.91 1.06 -0.38 1.22 -1.24 -0.76 0.72 115.58 117.12 2nzd h ASN 60 Ca 0.21 -0.14 -0.02 0.00 0.71 0.00 0.00 56.30 57.06 2nzd h ASN 60 Cb 0.28 -0.27 -0.02 0.00 0.73 0.00 0.00 38.32 39.04 2nzd h ASN 60 CO -0.01 0.91 0.17 0.28 -1.29 0.00 0.00 177.43 177.49 2nzd h SER 61 N 1.14 0.50 -0.25 1.15 0.02 -1.13 -1.32 113.55 113.67 2nzd h SER 61 Ca 0.27 -0.14 0.04 0.00 -0.84 0.00 0.00 61.79 61.12 2nzd h SER 61 Cb 0.14 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.52 2nzd h SER 61 CO -0.03 0.51 0.03 0.15 -1.14 0.00 0.00 176.83 176.35 2nzd h PHE 62 N 0.47 0.05 -0.28 3.45 3.57 -0.57 0.18 116.94 123.80 2nzd h PHE 62 Ca 0.13 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 2nzd h PHE 62 Cb 0.15 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 2nzd h PHE 62 CO -0.01 0.00 0.14 0.28 -2.23 0.00 0.00 178.31 176.50 2nzd h VAL 63 N 0.12 1.14 -0.75 1.41 2.07 -0.61 -1.85 116.25 117.78 2nzd h VAL 63 Ca 0.11 -0.39 0.01 0.00 0.82 0.00 0.00 66.70 67.25 2nzd h VAL 63 Cb 0.13 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 30.74 2nzd h VAL 63 CO -0.16 0.14 0.50 0.78 0.02 0.00 0.00 177.57 178.84 2nzd h ASN 64 N 0.33 0.85 0.03 0.57 2.35 -1.09 -1.38 115.58 117.24 2nzd h ASN 64 Ca 0.10 -0.02 0.02 0.00 -0.55 0.00 0.00 56.30 55.86 2nzd h ASN 64 Cb 0.10 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.23 2nzd h ASN 64 CO -0.01 0.61 -0.20 -0.78 -1.65 0.00 0.00 177.43 175.39 2nzd h ASP 65 N 1.00 -0.58 -0.39 5.81 3.58 -0.32 -1.65 116.42 123.88 2nzd h ASP 65 Ca 0.28 0.08 -0.10 0.00 0.42 0.00 0.00 57.03 57.71 2nzd h ASP 65 Cb -0.09 0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.19 2nzd h ASP 65 CO -0.07 -0.27 -0.16 0.58 -2.88 0.00 0.00 179.24 176.44 2nzd h VAL 66 N -0.34 1.28 -0.01 2.25 2.07 -1.20 -0.46 116.25 119.84 2nzd h VAL 66 Ca 0.05 -1.28 0.02 0.00 0.82 0.00 0.00 66.70 66.31 2nzd h VAL 66 Cb 0.40 1.28 -0.05 0.00 -1.52 0.00 0.00 31.29 31.40 2nzd h VAL 66 CO -0.17 0.43 -0.50 0.15 0.02 0.00 0.00 177.57 177.51 2nzd h PHE 67 N 0.60 -1.46 -0.80 1.57 3.57 -1.18 0.44 116.94 119.68 2nzd h PHE 67 Ca 0.09 0.05 0.12 0.00 3.53 0.00 0.00 57.97 61.76 2nzd h PHE 67 Cb 0.70 0.64 -0.08 0.00 2.79 0.00 0.00 35.95 39.99 2nzd h PHE 67 CO 0.06 -0.53 0.41 0.93 -2.23 0.00 0.00 178.31 176.95 2nzd h GLU 68 N -0.61 0.61 -0.36 1.11 5.08 -1.00 -0.02 114.58 119.39 2nzd h GLU 68 Ca 0.01 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.22 2nzd h GLU 68 Cb 0.66 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 2nzd h GLU 68 CO -0.34 0.41 -0.23 0.00 -1.00 0.00 0.00 179.01 177.85 2nzd h ARG 69 N 0.63 0.72 0.06 2.33 3.08 -0.64 -1.02 114.38 119.55 2nzd h ARG 69 Ca 0.41 -0.29 -0.00 0.00 0.07 0.00 0.00 59.98 60.17 2nzd h ARG 69 Cb 0.51 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.53 2nzd h ARG 69 CO -0.32 0.89 -0.03 0.82 -1.07 0.00 0.00 179.97 180.26 2nzd h ILE 70 N 0.63 1.24 -0.70 2.04 2.04 0.02 -2.09 117.51 120.69 2nzd h ILE 70 Ca 0.09 -1.22 0.13 0.00 1.00 0.00 0.00 64.86 64.86 2nzd h ILE 70 Cb 0.73 2.01 -0.09 0.00 -0.74 0.00 0.00 36.82 38.73 2nzd h ILE 70 CO 0.06 0.29 0.25 0.00 0.00 0.00 0.00 178.15 178.75 2nzd h ALA 71 N 0.20 0.95 0.25 1.87 0.00 -1.07 0.13 119.26 121.59 2nzd h ALA 71 Ca -0.01 0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.02 2nzd h ALA 71 Cb 0.55 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 2nzd h ALA 71 CO 0.01 -0.23 -0.39 0.78 0.00 0.00 0.00 179.25 179.43 2nzd h GLY 72 N 0.40 -0.85 0.08 0.00 0.00 -1.18 0.45 103.07 101.96 2nzd h GLY 72 Ca 0.38 0.46 0.15 0.00 0.00 0.00 0.00 47.33 48.32 2nzd h GLY 72 CO -0.39 -0.29 0.26 0.83 0.00 0.00 0.00 176.54 176.94 2nzd h GLU 73 N -0.71 0.37 -0.61 4.80 4.39 -0.61 -1.01 114.58 121.19 2nzd h GLU 73 Ca -0.00 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 2nzd h GLU 73 Cb 0.68 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.22 2nzd h GLU 73 CO -0.15 0.24 0.35 0.00 -1.16 0.00 0.00 179.01 178.29 2nzd h ALA 74 N 1.57 0.78 0.24 3.43 0.00 -0.18 0.28 119.26 125.38 2nzd h ALA 74 Ca 0.41 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 2nzd h ALA 74 Cb 0.66 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2nzd h ALA 74 CO -0.44 0.28 -0.19 1.03 0.00 0.00 0.00 179.25 179.94 2nzd h SER 75 N 0.83 -0.49 0.13 0.00 0.87 0.11 -0.69 113.55 114.30 2nzd h SER 75 Ca 0.22 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 2nzd h SER 75 Cb 0.01 0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.12 2nzd h SER 75 CO -0.04 -0.29 -0.12 0.03 -0.53 0.00 0.00 176.83 175.88 2nzd h ARG 76 N -0.44 -0.26 -0.47 2.24 3.08 -1.11 -2.19 114.38 115.23 2nzd h ARG 76 Ca -0.01 0.02 0.09 0.00 0.07 0.00 0.00 59.98 60.14 2nzd h ARG 76 Cb 0.39 0.06 -0.10 0.00 0.08 0.00 0.00 29.97 30.40 2nzd h ARG 76 CO -0.01 -0.17 -0.31 1.25 -1.07 0.00 0.00 179.97 179.66 2nzd h LEU 77 N -0.27 -1.05 -0.60 3.04 5.85 -0.71 0.22 115.31 121.78 2nzd h LEU 77 Ca 0.00 0.20 0.04 0.00 0.84 0.00 0.00 57.88 58.96 2nzd h LEU 77 Cb 0.25 0.51 -0.04 0.00 0.37 0.00 0.00 40.66 41.75 2nzd h LEU 77 CO -0.03 -0.30 0.35 0.00 -0.34 0.00 0.00 178.44 178.11 2nzd h ALA 78 N 0.91 0.79 -0.76 1.25 0.00 -0.98 -2.01 119.26 118.45 2nzd h ALA 78 Ca 0.20 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 2nzd h ALA 78 Cb 0.53 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 2nzd h ALA 78 CO -0.59 0.05 0.37 0.45 0.00 0.00 0.00 179.25 179.53 2nzd h HIS 79 N 0.67 1.09 0.00 0.00 3.86 -0.48 0.42 115.15 120.72 2nzd h HIS 79 Ca 0.26 -0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.40 2nzd h HIS 79 Cb 0.10 -0.34 -0.00 0.00 1.06 0.00 0.00 27.41 28.22 2nzd h HIS 79 CO -0.07 0.80 -0.07 1.88 0.86 0.00 0.00 177.93 181.33 2nzd h TYR 80 N 1.07 0.00 -0.49 2.45 0.99 0.09 -2.15 116.97 118.93 2nzd h TYR 80 Ca 0.26 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.99 2nzd h TYR 80 Cb 0.11 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.84 2nzd h TYR 80 CO 0.01 0.07 0.00 0.09 -0.00 0.00 0.00 178.16 178.33 2nzd n ASN 81 N -4.04 3.32 -2.87 3.88 3.02 -0.92 -4.98 115.26 112.68 2nzd n ASN 81 Ca -0.03 -1.98 -0.19 0.00 -0.03 0.00 0.00 54.58 52.36 2nzd n ASN 81 Cb 0.16 -0.32 0.06 0.00 -0.61 0.00 0.00 39.78 39.06 2nzd n ASN 81 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2nzd n LYS 82 N 1.03 -5.92 -4.25 3.52 5.02 -0.68 -5.01 118.16 111.87 2nzd n LYS 82 Ca 0.17 0.67 -0.32 0.00 -2.02 0.00 0.00 58.31 56.81 2nzd n LYS 82 Cb 0.51 -5.20 -0.09 0.00 -0.02 0.00 0.00 35.03 30.24 2nzd n LYS 82 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2nzd s ARG 83 N -5.94 2.74 0.00 1.97 1.81 0.05 -5.01 118.95 114.58 2nzd s ARG 83 Ca 0.43 -0.66 0.12 0.00 -1.72 0.00 0.00 55.73 53.90 2nzd s ARG 83 Cb -0.19 -2.65 0.21 0.00 -0.45 0.00 0.00 34.95 31.88 2nzd s ARG 83 CO 0.53 0.61 1.08 -1.13 -0.68 0.00 0.00 175.30 175.70 2nzd n SER 84 N 1.21 2.50 -4.08 0.23 3.41 -1.26 -4.26 113.62 111.36 2nzd n SER 84 Ca -0.14 -1.75 -0.24 0.00 -0.26 0.00 0.00 58.87 56.48 2nzd n SER 84 Cb 0.52 -0.12 -0.16 0.00 -0.26 0.00 0.00 64.21 64.19 2nzd n SER 84 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2nzd s THR 85 N -1.00 1.21 -0.33 6.66 2.01 -1.26 -5.11 115.64 117.83 2nzd s THR 85 Ca 0.19 -0.58 -0.13 0.00 0.31 0.00 0.00 61.69 61.49 2nzd s THR 85 Cb 0.11 -1.06 -0.02 0.00 0.01 0.00 0.00 72.50 71.54 2nzd s THR 85 CO 0.16 0.36 0.24 -0.63 -0.69 0.00 0.00 174.62 174.06 2nzd s ILE 86 N 0.17 5.28 0.45 1.82 1.01 -1.26 -4.93 121.20 123.76 2nzd s ILE 86 Ca -0.05 -0.11 0.06 0.00 0.00 0.00 0.00 60.65 60.55 2nzd s ILE 86 Cb -0.11 -3.68 -0.02 0.00 0.01 0.00 0.00 42.46 38.65 2nzd s ILE 86 CO 0.02 0.04 0.23 0.42 0.00 0.00 0.00 174.94 175.65 2nzd s THR 87 N 1.75 2.07 0.55 2.92 -4.23 -1.26 -4.97 115.64 112.47 2nzd s THR 87 Ca 0.07 -1.65 0.29 0.00 -1.18 0.00 0.00 61.69 59.22 2nzd s THR 87 Cb -0.17 -2.72 0.43 0.00 1.34 0.00 0.00 72.50 71.39 2nzd s THR 87 CO 0.11 0.00 1.91 0.77 -0.54 0.00 0.00 174.62 176.87 2nzd h SER 88 N 1.23 0.00 0.41 3.99 4.64 -1.99 0.62 113.55 122.44 2nzd h SER 88 Ca -0.41 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.77 2nzd h SER 88 Cb 1.27 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.35 2nzd h SER 88 CO 0.66 0.00 -0.58 -0.09 -0.87 0.00 0.00 176.83 175.96 2nzd h ARG 89 N 0.00 0.17 -0.16 4.77 2.43 -2.00 -1.98 114.38 117.62 2nzd h ARG 89 Ca 0.32 -0.11 -0.22 0.00 -0.81 0.00 0.00 59.98 59.15 2nzd h ARG 89 Cb 1.40 0.01 0.01 0.00 -0.42 0.00 0.00 29.97 30.97 2nzd h ARG 89 CO -0.00 0.70 -0.76 0.93 -1.51 0.00 0.00 179.97 179.33 2nzd h GLU 90 N 0.13 0.81 -0.84 0.20 3.07 -1.28 -3.12 114.58 113.54 2nzd h GLU 90 Ca -0.00 -0.65 0.04 0.00 -0.50 0.00 0.00 59.36 58.25 2nzd h GLU 90 Cb 1.06 0.13 -0.05 0.00 -0.84 0.00 0.00 28.75 29.05 2nzd h GLU 90 CO 0.09 1.26 0.55 0.82 -1.40 0.00 0.00 179.01 180.32 2nzd h ILE 91 N 0.55 1.12 -0.38 3.13 1.08 -1.27 -1.91 117.51 119.84 2nzd h ILE 91 Ca -0.05 -0.35 -0.14 0.00 -0.39 0.00 0.00 64.86 63.93 2nzd h ILE 91 Cb 1.39 0.01 -0.01 0.00 -3.07 0.00 0.00 36.82 35.14 2nzd h ILE 91 CO 0.16 0.19 -0.32 -0.61 -0.69 0.00 0.00 178.15 176.87 2nzd h GLN 92 N 1.02 0.85 -0.33 2.37 4.15 -1.39 -0.45 115.11 121.34 2nzd h GLN 92 Ca 0.34 -0.41 -0.11 0.00 0.77 0.00 0.00 58.65 59.24 2nzd h GLN 92 Cb 0.07 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.75 2nzd h GLN 92 CO -0.11 1.05 -0.24 1.15 -1.93 0.00 0.00 178.83 178.75 2nzd h THR 93 N 0.71 1.29 -0.71 2.39 2.02 -1.42 -1.83 112.91 115.36 2nzd h THR 93 Ca 0.07 -1.39 0.09 0.00 0.77 0.00 0.00 66.41 65.95 2nzd h THR 93 Cb 0.88 1.47 -0.07 0.00 -1.74 0.00 0.00 68.15 68.69 2nzd h THR 93 CO 0.08 0.45 0.37 0.00 0.37 0.00 0.00 175.52 176.79 2nzd h ALA 94 N 0.75 0.98 -0.40 6.16 0.00 -1.18 0.44 119.26 126.01 2nzd h ALA 94 Ca 0.06 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 2nzd h ALA 94 Cb 0.80 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 2nzd h ALA 94 CO 0.06 -0.01 0.25 0.28 0.00 0.00 0.00 179.25 179.84 2nzd h VAL 95 N 0.64 1.12 -0.24 0.00 2.07 -0.82 0.16 116.25 119.19 2nzd h VAL 95 Ca 0.34 -0.26 -0.05 0.00 0.82 0.00 0.00 66.70 67.55 2nzd h VAL 95 Cb 0.33 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 2nzd h VAL 95 CO -0.25 0.12 -0.06 0.03 0.02 0.00 0.00 177.57 177.43 2nzd h ARG 96 N 0.53 0.38 -0.12 1.57 3.08 -0.42 -1.33 114.38 118.08 2nzd h ARG 96 Ca 0.15 -0.08 -0.19 0.00 0.07 0.00 0.00 59.98 59.92 2nzd h ARG 96 Cb -0.02 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 29.97 2nzd h ARG 96 CO -0.03 0.46 -0.70 -0.07 -1.07 0.00 0.00 179.97 178.56 2nzd h LEU 97 N 0.36 0.62 0.10 3.04 3.38 0.42 -3.39 115.31 119.84 2nzd h LEU 97 Ca 0.08 -0.39 -0.32 0.00 0.09 0.00 0.00 57.88 57.34 2nzd h LEU 97 Cb 0.35 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 2nzd h LEU 97 CO 0.02 1.14 -1.74 0.25 0.09 0.00 0.00 178.44 178.19 2nzd h LEU 98 N 0.37 0.34 -9.77 1.67 5.85 -0.46 -3.48 115.31 109.83 2nzd h LEU 98 Ca -0.03 -0.84 -0.60 0.00 0.84 0.00 0.00 57.88 57.25 2nzd h LEU 98 Cb 1.28 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 42.15 2nzd h LEU 98 CO 0.13 1.74 -0.24 -0.76 -0.34 0.00 0.00 178.44 178.98 2nzd s LEU 99 N -7.32 4.39 0.32 2.25 1.43 -0.52 -5.06 118.68 114.18 2nzd s LEU 99 Ca -0.23 0.84 -0.27 0.00 -1.03 0.00 0.00 54.13 53.44 2nzd s LEU 99 Cb 0.06 -2.83 -0.09 0.00 0.03 0.00 0.00 46.19 43.35 2nzd s LEU 99 CO 0.74 0.23 1.07 -2.16 0.23 0.00 0.00 176.35 176.45 2nzd s PRO 100 N -1.62 4.48 0.00 1.29 0.05 -1.26 -4.48 135.00 133.45 2nzd s PRO 100 Ca 0.30 1.67 0.00 0.00 0.05 0.00 0.00 61.00 63.02 2nzd s PRO 100 Cb -0.15 -2.95 0.00 0.00 0.05 0.00 0.00 34.50 31.45 2nzd s PRO 100 CO 0.16 0.10 0.00 0.41 0.05 0.00 0.00 177.00 177.72 2nzd n GLY 101 N 0.90 0.35 0.18 0.56 0.00 -1.26 -1.70 105.19 104.21 2nzd n GLY 101 Ca 0.01 0.46 0.03 0.00 0.00 0.00 0.00 46.02 46.52 2nzd n GLY 101 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2nzd h GLU 102 N 0.00 0.00 -0.03 1.61 4.57 -2.01 -2.65 114.58 116.08 2nzd h GLU 102 Ca 0.00 0.00 -0.18 0.00 -1.18 0.00 0.00 59.36 58.00 2nzd h GLU 102 Cb 0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 2nzd h GLU 102 CO 0.00 0.43 -0.78 -0.07 -1.18 0.00 0.00 179.01 177.41 2nzd h LEU 103 N 0.00 0.30 0.23 1.64 3.38 -1.68 -2.95 115.31 116.23 2nzd h LEU 103 Ca -0.00 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 2nzd h LEU 103 Cb 0.87 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.54 2nzd h LEU 103 CO 0.06 0.96 -0.11 0.00 0.09 0.00 0.00 178.44 179.44 2nzd h ALA 104 N 1.02 -0.31 -0.69 1.53 0.00 -1.40 0.19 119.26 119.60 2nzd h ALA 104 Ca -0.03 -0.10 0.13 0.00 0.00 0.00 0.00 54.91 54.91 2nzd h ALA 104 Cb 1.37 0.12 -0.13 0.00 0.00 0.00 0.00 17.79 19.15 2nzd h ALA 104 CO 0.12 -0.63 -0.23 -0.22 0.00 0.00 0.00 179.25 178.29 2nzd h LYS 105 N -0.40 -0.05 -0.01 0.00 3.64 -1.56 -0.23 116.57 117.96 2nzd h LYS 105 Ca -0.03 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.17 2nzd h LYS 105 Cb 0.31 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 2nzd h LYS 105 CO 0.05 -0.03 -0.80 0.45 -2.27 0.00 0.00 179.45 176.85 2nzd h HIS 106 N -0.05 0.27 -0.40 1.91 3.86 -1.33 -2.86 115.15 116.55 2nzd h HIS 106 Ca 0.31 -0.14 -0.13 0.00 -1.16 0.00 0.00 60.37 59.25 2nzd h HIS 106 Cb 0.54 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.96 2nzd h HIS 106 CO -0.60 0.91 -0.27 0.00 0.86 0.00 0.00 177.93 178.82 2nzd h ALA 107 N 1.05 0.57 -0.21 2.45 0.00 0.12 -1.63 119.26 121.61 2nzd h ALA 107 Ca -0.03 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 2nzd h ALA 107 Cb 1.40 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 2nzd h ALA 107 CO 0.12 0.59 0.11 0.28 0.00 0.00 0.00 179.25 180.36 2nzd h VAL 108 N 0.71 1.12 0.04 0.00 2.07 -1.10 0.15 116.25 119.23 2nzd h VAL 108 Ca 0.08 -0.33 0.03 0.00 0.82 0.00 0.00 66.70 67.30 2nzd h VAL 108 Cb 0.85 0.95 -0.05 0.00 -1.52 0.00 0.00 31.29 31.53 2nzd h VAL 108 CO 0.07 0.12 -0.38 0.28 0.02 0.00 0.00 177.57 177.68 2nzd h SER 109 N 0.23 -1.14 -0.55 0.57 0.02 -1.40 0.71 113.55 111.99 2nzd h SER 109 Ca 0.07 0.14 0.07 0.00 -0.84 0.00 0.00 61.79 61.23 2nzd h SER 109 Cb 0.09 0.44 -0.03 0.00 0.14 0.00 0.00 62.40 63.04 2nzd h SER 109 CO -0.01 -0.44 0.37 -0.33 -1.14 0.00 0.00 176.83 175.27 2nzd h GLU 110 N -0.56 0.47 0.01 3.45 4.39 -0.99 -0.27 114.58 121.08 2nzd h GLU 110 Ca 0.04 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.72 2nzd h GLU 110 Cb 0.63 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.17 2nzd h GLU 110 CO -0.27 0.31 -0.01 0.78 -1.16 0.00 0.00 179.01 178.66 2nzd h GLY 111 N 0.48 -0.02 0.69 -3.84 0.00 -0.29 -2.74 103.07 97.36 2nzd h GLY 111 Ca 0.24 0.01 0.02 0.00 0.00 0.00 0.00 47.33 47.60 2nzd h GLY 111 CO -0.07 -0.01 -0.11 -0.84 0.00 0.00 0.00 176.54 175.52 2nzd h THR 112 N -0.54 0.72 -0.93 4.70 2.02 -0.40 -2.32 112.91 116.16 2nzd h THR 112 Ca -0.00 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.32 2nzd h THR 112 Cb 0.52 0.72 -0.09 0.00 -1.74 0.00 0.00 68.15 67.56 2nzd h THR 112 CO 0.00 0.00 0.54 0.50 0.37 0.00 0.00 175.52 176.93 2nzd h LYS 113 N -0.17 0.75 -0.18 6.66 3.64 -1.13 0.03 116.57 126.18 2nzd h LYS 113 Ca 0.05 -0.05 -0.20 0.00 -1.27 0.00 0.00 60.65 59.19 2nzd h LYS 113 Cb 0.24 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 2nzd h LYS 113 CO -0.13 0.50 -0.69 0.00 -2.27 0.00 0.00 179.45 176.86 2nzd h ALA 114 N 1.57 0.46 -0.09 5.00 0.00 -1.22 -0.67 119.26 124.30 2nzd h ALA 114 Ca 0.50 -0.57 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 2nzd h ALA 114 Cb 0.65 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 2nzd h ALA 114 CO -0.33 0.70 -0.13 0.28 0.00 0.00 0.00 179.25 179.76 2nzd h VAL 115 N 0.51 1.39 -0.15 0.00 2.07 -0.76 -0.25 116.25 119.06 2nzd h VAL 115 Ca -0.02 -1.38 0.05 0.00 0.82 0.00 0.00 66.70 66.17 2nzd h VAL 115 Cb 1.29 2.09 -0.06 0.00 -1.52 0.00 0.00 31.29 33.08 2nzd h VAL 115 CO 0.14 0.39 -0.33 0.74 0.02 0.00 0.00 177.57 178.52 2nzd h THR 116 N -0.20 0.27 -0.17 2.57 2.02 -1.09 0.38 112.91 116.69 2nzd h THR 116 Ca 0.01 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.21 2nzd h THR 116 Cb 0.69 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 2nzd h THR 116 CO 0.03 0.00 0.11 0.50 0.37 0.00 0.00 175.52 176.54 2nzd h LYS 117 N -0.40 0.11 -0.02 6.66 3.64 -1.02 -2.05 116.57 123.49 2nzd h LYS 117 Ca 0.10 -0.01 -0.20 0.00 -1.27 0.00 0.00 60.65 59.27 2nzd h LYS 117 Cb 0.56 -0.03 0.01 0.00 -0.41 0.00 0.00 32.23 32.36 2nzd h LYS 117 CO -0.37 0.07 -0.76 -0.92 -2.27 0.00 0.00 179.45 175.21 2nzd h TYR 118 N 0.12 0.81 -0.97 1.91 3.20 -0.33 -3.13 116.97 118.59 2nzd h TYR 118 Ca 0.07 -0.43 0.07 0.00 3.14 0.00 0.00 58.73 61.59 2nzd h TYR 118 Cb 0.14 -0.10 -0.07 0.00 1.54 0.00 0.00 36.73 38.25 2nzd h TYR 118 CO -0.00 1.25 0.62 1.15 -1.64 0.00 0.00 178.16 179.53 2nzd h THR 119 N 0.15 1.05 -0.00 1.81 2.02 0.42 -2.18 112.91 116.18 2nzd h THR 119 Ca -0.09 -0.38 0.00 0.00 0.77 0.00 0.00 66.41 66.71 2nzd h THR 119 Cb 1.44 -0.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 2nzd h THR 119 CO 0.15 0.20 -0.16 -1.54 0.37 0.00 0.00 175.52 174.55 2nzd n SER 120 N -4.55 0.40 -2.20 4.18 3.41 -0.94 -4.30 113.62 109.62 2nzd n SER 120 Ca 0.15 -0.34 -0.31 0.00 -0.26 0.00 0.00 58.87 58.12 2nzd n SER 120 Cb 0.20 -0.09 0.07 0.00 -0.26 0.00 0.00 64.21 64.13 2nzd n SER 120 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2nzd n ALA 121 N -1.13 5.87 -1.95 7.33 0.00 -0.82 -5.11 120.51 124.70 2nzd n ALA 121 Ca 0.12 -3.55 0.00 0.00 0.00 0.00 0.00 53.44 50.00 2nzd n ALA 121 Cb 0.30 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.46 2nzd n ALA 121 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67