#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 0.00 -1.58 3.15 5.66 -1.26 -4.65 114.28 115.61 2nzd n THR 29 Ca 0.00 0.00 -0.47 0.00 -3.05 0.00 0.00 64.05 60.53 2nzd n THR 29 Cb 0.00 -0.18 -0.03 0.00 -1.55 0.00 0.00 70.33 68.57 2nzd n THR 29 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2nzd n ARG 30 N 1.76 1.23 -3.98 1.09 1.74 -1.26 -4.97 116.66 112.27 2nzd n ARG 30 Ca 0.16 0.44 -0.31 0.00 -0.77 0.00 0.00 57.85 57.36 2nzd n ARG 30 Cb -0.00 -1.87 -0.15 0.00 -1.02 0.00 0.00 32.46 29.42 2nzd n ARG 30 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2nzd s LYS 31 N -0.87 1.44 0.35 5.56 2.36 -1.26 -5.11 119.74 122.21 2nzd s LYS 31 Ca 0.67 -1.71 -0.25 0.00 -2.55 0.00 0.00 55.97 52.13 2nzd s LYS 31 Cb -0.79 -3.00 -0.09 0.00 -1.05 0.00 0.00 37.83 32.90 2nzd s LYS 31 CO 0.55 -0.91 1.01 -1.21 1.55 0.00 0.00 175.35 176.34 2nzd s GLU 32 N 1.03 4.39 0.09 4.03 2.02 -1.26 -5.05 118.70 123.95 2nzd s GLU 32 Ca 0.09 1.47 -0.08 0.00 0.02 0.00 0.00 54.97 56.47 2nzd s GLU 32 Cb -0.19 -2.72 -0.01 0.00 0.10 0.00 0.00 34.13 31.32 2nzd s GLU 32 CO -0.10 0.07 0.17 0.45 0.02 0.00 0.00 175.26 175.88 2nzd s SER 33 N -1.51 0.16 0.00 -0.19 0.15 -1.26 -5.04 113.70 106.01 2nzd s SER 33 Ca 0.53 -0.72 0.18 0.00 0.70 0.00 0.00 55.95 56.64 2nzd s SER 33 Cb -0.22 0.33 0.51 0.00 -1.71 0.00 0.00 66.02 64.93 2nzd s SER 33 CO 0.27 -0.73 1.41 -1.22 1.20 0.00 0.00 173.24 174.18 2nzd n TYR 34 N -0.06 0.52 -0.12 3.44 4.02 -1.26 -4.64 117.16 119.07 2nzd n TYR 34 Ca -0.14 -0.26 -0.05 0.00 -0.01 0.00 0.00 57.90 57.44 2nzd n TYR 34 Cb 0.62 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.96 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 4.03 0.20 -0.24 -0.72 0.00 -1.96 -1.10 119.26 119.46 2nzd h ALA 35 Ca 0.00 0.15 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 2nzd h ALA 35 Cb 0.66 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 2nzd h ALA 35 CO 0.00 -0.50 -0.06 -0.84 0.00 0.00 0.00 179.25 177.86 2nzd h ILE 36 N -0.05 1.18 0.00 0.00 3.07 -1.99 0.88 117.51 120.60 2nzd h ILE 36 Ca 0.19 -0.76 -0.08 0.00 1.55 0.00 0.00 64.86 65.76 2nzd h ILE 36 Cb 0.35 1.07 -0.01 0.00 -0.27 0.00 0.00 36.82 37.95 2nzd h ILE 36 CO -0.44 0.25 -0.42 1.88 -1.05 0.00 0.00 178.15 178.37 2nzd h TYR 37 N 0.36 0.00 -0.15 0.16 -1.99 -1.79 -0.53 116.97 113.03 2nzd h TYR 37 Ca 0.08 0.00 -0.16 0.00 2.00 0.00 0.00 58.73 60.64 2nzd h TYR 37 Cb 0.34 0.00 0.01 0.00 2.00 0.00 0.00 36.73 39.08 2nzd h TYR 37 CO 0.01 0.38 -0.55 0.28 -0.00 0.00 0.00 178.16 178.28 2nzd h VAL 38 N 0.00 1.33 -0.55 -2.88 2.07 -0.39 -2.68 116.25 113.14 2nzd h VAL 38 Ca -0.01 -1.81 -0.03 0.00 0.82 0.00 0.00 66.70 65.68 2nzd h VAL 38 Cb 1.30 2.02 -0.02 0.00 -1.52 0.00 0.00 31.29 33.07 2nzd h VAL 38 CO 0.05 0.56 0.24 0.22 0.02 0.00 0.00 177.57 178.66 2nzd h TYR 39 N 0.30 0.82 -0.57 1.57 3.20 -0.80 -0.59 116.97 120.91 2nzd h TYR 39 Ca -0.03 -0.05 0.08 0.00 3.14 0.00 0.00 58.73 61.87 2nzd h TYR 39 Cb 1.18 -0.25 -0.06 0.00 1.54 0.00 0.00 36.73 39.13 2nzd h TYR 39 CO 0.10 0.66 0.23 0.87 -1.64 0.00 0.00 178.16 178.38 2nzd h LYS 40 N 0.75 0.42 -0.09 1.82 1.57 -1.12 -2.27 116.57 117.65 2nzd h LYS 40 Ca 0.19 -0.03 -0.14 0.00 -1.87 0.00 0.00 60.65 58.80 2nzd h LYS 40 Cb 0.17 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 2nzd h LYS 40 CO -0.02 0.28 -0.58 0.28 -0.57 0.00 0.00 179.45 178.84 2nzd h VAL 41 N 0.43 1.37 -0.73 0.50 2.07 -1.17 -2.71 116.25 116.01 2nzd h VAL 41 Ca 0.28 -1.91 0.02 0.00 0.82 0.00 0.00 66.70 65.91 2nzd h VAL 41 Cb 0.29 1.94 -0.04 0.00 -1.52 0.00 0.00 31.29 31.96 2nzd h VAL 41 CO -0.26 0.57 0.48 0.25 0.02 0.00 0.00 177.57 178.63 2nzd h LEU 42 N 0.21 0.81 -0.58 2.57 5.85 -0.67 -2.85 115.31 120.65 2nzd h LEU 42 Ca -0.00 -0.01 -0.14 0.00 0.84 0.00 0.00 57.88 58.57 2nzd h LEU 42 Cb 1.08 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.91 2nzd h LEU 42 CO 0.09 0.57 -0.33 0.11 -0.34 0.00 0.00 178.44 178.54 2nzd h LYS 43 N 0.95 0.78 -0.02 1.25 1.79 -1.25 1.02 116.57 121.09 2nzd h LYS 43 Ca 0.28 -0.37 0.01 0.00 -2.18 0.00 0.00 60.65 58.39 2nzd h LYS 43 Cb -0.05 -0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 30.59 2nzd h LYS 43 CO -0.08 0.99 0.02 1.96 -1.08 0.00 0.00 179.45 181.26 2nzd h GLN 44 N 0.65 0.00 0.00 3.15 4.20 -1.33 -3.06 115.11 118.72 2nzd h GLN 44 Ca 0.07 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.62 2nzd h GLN 44 Cb 0.87 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.62 2nzd h GLN 44 CO 0.08 0.00 -1.58 0.28 -0.67 0.00 0.00 178.83 176.94 2nzd n VAL 45 N -3.85 0.58 -3.45 -0.54 0.31 -0.73 -4.81 118.33 105.85 2nzd n VAL 45 Ca -0.02 -0.26 -0.29 0.00 -0.01 0.00 0.00 64.34 63.76 2nzd n VAL 45 Cb 0.11 -0.84 -0.12 0.00 -0.91 0.00 0.00 33.84 32.08 2nzd n VAL 45 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 2nzd s HIS 46 N -2.20 0.80 0.12 3.52 3.76 0.35 -5.02 115.29 116.61 2nzd s HIS 46 Ca -0.11 -1.78 0.34 0.00 -0.15 0.00 0.00 55.06 53.36 2nzd s HIS 46 Cb 0.03 -0.91 1.45 0.00 1.11 0.00 0.00 32.58 34.26 2nzd s HIS 46 CO 0.27 -0.83 2.00 -1.35 -0.85 0.00 0.00 174.74 173.98 2nzd h PRO 47 N 6.69 0.00 -0.02 8.40 0.11 -1.68 -2.01 132.00 143.49 2nzd h PRO 47 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 2nzd h PRO 47 Cb 0.96 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.07 2nzd h PRO 47 CO 0.29 0.00 -0.09 -0.25 -0.21 0.00 0.00 178.00 177.74 2nzd n ASP 48 N -3.03 2.64 -4.76 -2.05 8.00 -1.26 -4.92 116.55 111.18 2nzd n ASP 48 Ca 0.00 -1.82 -0.37 0.00 0.71 0.00 0.00 54.79 53.32 2nzd n ASP 48 Cb 0.28 0.10 -0.07 0.00 -0.02 0.00 0.00 41.12 41.40 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 -1.92 5.28 0.59 -3.53 2.01 -0.76 -5.10 115.64 112.22 2nzd s THR 49 Ca 0.24 0.58 0.05 0.00 0.31 0.00 0.00 61.69 62.86 2nzd s THR 49 Cb 0.18 -3.63 0.08 0.00 0.01 0.00 0.00 72.50 69.13 2nzd s THR 49 CO 0.32 0.43 0.81 -0.83 -0.69 0.00 0.00 174.62 174.67 2nzd s GLY 50 N 0.13 1.80 -0.02 4.40 0.00 -1.26 -4.86 107.32 107.50 2nzd s GLY 50 Ca 0.18 -1.79 0.01 0.00 0.00 0.00 0.00 44.72 43.12 2nzd s GLY 50 CO 0.05 -1.37 -0.04 -1.50 0.00 0.00 0.00 173.10 170.24 2nzd s ILE 51 N -2.78 0.37 0.71 0.90 2.07 -1.26 -5.16 121.20 116.06 2nzd s ILE 51 Ca 0.61 -0.13 -0.10 0.00 -1.41 0.00 0.00 60.65 59.62 2nzd s ILE 51 Cb -0.07 -0.36 0.03 0.00 0.13 0.00 0.00 42.46 42.19 2nzd s ILE 51 CO 0.39 0.14 1.07 -0.94 -1.91 0.00 0.00 174.94 173.70 2nzd s SER 52 N 0.33 5.18 0.07 4.50 1.04 -1.26 -4.88 113.70 118.67 2nzd s SER 52 Ca -0.03 0.89 -0.29 0.00 0.48 0.00 0.00 55.95 57.00 2nzd s SER 52 Cb -0.07 -1.64 -0.18 0.00 0.10 0.00 0.00 66.02 64.24 2nzd s SER 52 CO -0.00 -1.45 1.61 0.28 0.98 0.00 0.00 173.24 174.66 2nzd h SER 53 N -0.66 -0.51 -0.95 7.02 0.02 -2.01 -0.50 113.55 115.96 2nzd h SER 53 Ca -0.45 -0.00 0.12 0.00 -0.84 0.00 0.00 61.79 60.62 2nzd h SER 53 Cb 1.28 0.13 -0.08 0.00 0.14 0.00 0.00 62.40 63.87 2nzd h SER 53 CO 0.63 -0.34 0.60 0.11 -1.14 0.00 0.00 176.83 176.70 2nzd h LYS 54 N -0.64 0.85 -0.32 3.45 1.57 -1.98 0.61 116.57 120.10 2nzd h LYS 54 Ca -0.06 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 2nzd h LYS 54 Cb 0.48 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 2nzd h LYS 54 CO 0.10 0.56 0.16 0.00 -0.57 0.00 0.00 179.45 179.70 2nzd h ALA 55 N 1.56 0.41 -0.72 3.86 0.00 -1.79 -1.09 119.26 121.49 2nzd h ALA 55 Ca 0.47 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.23 2nzd h ALA 55 Cb 0.56 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 2nzd h ALA 55 CO -0.23 -0.03 0.25 1.98 0.00 0.00 0.00 179.25 181.22 2nzd h MET 56 N 0.39 1.10 -0.69 0.00 1.85 0.86 -1.50 114.93 116.93 2nzd h MET 56 Ca 0.11 -0.21 0.03 0.00 -0.61 0.00 0.00 59.70 59.02 2nzd h MET 56 Cb 0.11 -0.17 -0.05 0.00 0.43 0.00 0.00 31.60 31.92 2nzd h MET 56 CO -0.01 0.92 0.43 1.03 -0.40 0.00 0.00 176.91 178.87 2nzd h SER 57 N 1.06 0.70 -0.61 1.39 0.87 0.45 0.18 113.55 117.59 2nzd h SER 57 Ca 0.24 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.75 2nzd h SER 57 Cb 0.26 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.04 2nzd h SER 57 CO -0.01 0.48 0.19 0.40 -0.53 0.00 0.00 176.83 177.35 2nzd h ILE 58 N 0.83 1.24 -0.18 2.23 2.04 -0.75 -1.30 117.51 121.62 2nzd h ILE 58 Ca 0.28 -0.85 -0.12 0.00 1.00 0.00 0.00 64.86 65.18 2nzd h ILE 58 Cb 0.04 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 2nzd h ILE 58 CO -0.12 0.33 -0.41 0.24 0.00 0.00 0.00 178.15 178.19 2nzd h MET 59 N 0.94 0.41 -0.26 2.37 2.86 -0.39 0.37 114.93 121.25 2nzd h MET 59 Ca 0.21 -0.21 -0.17 0.00 -2.06 0.00 0.00 59.70 57.47 2nzd h MET 59 Cb 0.29 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.95 2nzd h MET 59 CO -0.01 0.76 -0.53 -0.97 1.06 0.00 0.00 176.91 177.22 2nzd h ASN 60 N 0.34 0.83 -0.32 1.22 -1.24 -0.37 -0.87 115.58 115.18 2nzd h ASN 60 Ca 0.03 -0.44 0.02 0.00 0.71 0.00 0.00 56.30 56.63 2nzd h ASN 60 Cb 0.87 -0.24 -0.03 0.00 0.73 0.00 0.00 38.32 39.65 2nzd h ASN 60 CO 0.07 1.20 0.16 0.28 -1.29 0.00 0.00 177.43 177.85 2nzd h SER 61 N 0.58 0.23 -0.41 1.15 0.02 -1.01 -0.97 113.55 113.14 2nzd h SER 61 Ca 0.02 0.02 0.04 0.00 -0.84 0.00 0.00 61.79 61.02 2nzd h SER 61 Cb 1.11 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 63.58 2nzd h SER 61 CO 0.11 0.17 0.18 0.15 -1.14 0.00 0.00 176.83 176.30 2nzd h PHE 62 N 0.33 0.32 -0.43 3.45 3.57 -0.62 0.66 116.94 124.22 2nzd h PHE 62 Ca 0.13 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.56 2nzd h PHE 62 Cb 0.05 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.69 2nzd h PHE 62 CO -0.10 0.15 -0.11 0.28 -2.23 0.00 0.00 178.31 176.30 2nzd h VAL 63 N 0.36 1.26 -0.08 1.41 2.07 -1.03 -1.04 116.25 119.21 2nzd h VAL 63 Ca 0.18 -1.17 -0.01 0.00 0.82 0.00 0.00 66.70 66.52 2nzd h VAL 63 Cb 0.12 1.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.94 2nzd h VAL 63 CO -0.15 0.40 -0.00 0.78 0.02 0.00 0.00 177.57 178.61 2nzd h ASN 64 N 0.70 0.14 -0.22 0.57 2.35 -0.43 -2.24 115.58 116.45 2nzd h ASN 64 Ca 0.12 -0.32 0.06 0.00 -0.55 0.00 0.00 56.30 55.61 2nzd h ASN 64 Cb 0.59 -0.04 -0.07 0.00 0.05 0.00 0.00 38.32 38.86 2nzd h ASN 64 CO 0.04 0.43 -0.23 -0.78 -1.65 0.00 0.00 177.43 175.23 2nzd h ASP 65 N -0.14 -0.74 -0.25 5.81 3.58 0.49 -1.98 116.42 123.18 2nzd h ASP 65 Ca 0.02 0.13 -0.11 0.00 0.42 0.00 0.00 57.03 57.50 2nzd h ASP 65 Cb 0.36 0.35 -0.01 0.00 1.72 0.00 0.00 39.33 41.74 2nzd h ASP 65 CO 0.00 -0.27 -0.22 0.58 -2.88 0.00 0.00 179.24 176.45 2nzd h VAL 66 N -0.25 1.27 -0.21 2.25 2.07 -1.22 -1.94 116.25 118.22 2nzd h VAL 66 Ca 0.13 -1.31 0.05 0.00 0.82 0.00 0.00 66.70 66.38 2nzd h VAL 66 Cb 0.45 1.22 -0.05 0.00 -1.52 0.00 0.00 31.29 31.39 2nzd h VAL 66 CO -0.36 0.44 -0.10 0.15 0.02 0.00 0.00 177.57 177.71 2nzd h PHE 67 N 0.63 -0.24 -0.76 1.57 3.57 -1.11 -0.28 116.94 120.32 2nzd h PHE 67 Ca 0.09 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.56 2nzd h PHE 67 Cb 0.71 0.14 -0.03 0.00 2.79 0.00 0.00 35.95 39.56 2nzd h PHE 67 CO 0.03 -0.15 0.28 0.93 -2.23 0.00 0.00 178.31 177.17 2nzd h GLU 68 N -0.08 1.16 -0.41 1.11 5.08 -0.90 0.51 114.58 121.05 2nzd h GLU 68 Ca 0.11 -0.23 -0.12 0.00 -1.00 0.00 0.00 59.36 58.13 2nzd h GLU 68 Cb 0.24 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2nzd h GLU 68 CO -0.26 0.96 -0.19 0.00 -1.00 0.00 0.00 179.01 178.52 2nzd h ARG 69 N 1.12 0.86 -0.06 2.33 3.08 -1.21 0.67 114.38 121.16 2nzd h ARG 69 Ca 0.25 -0.37 -0.04 0.00 0.07 0.00 0.00 59.98 59.89 2nzd h ARG 69 Cb 0.26 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.28 2nzd h ARG 69 CO -0.02 1.02 -0.11 0.82 -1.07 0.00 0.00 179.97 180.62 2nzd h ILE 70 N 0.68 1.41 -0.66 2.04 2.04 -0.77 -2.07 117.51 120.18 2nzd h ILE 70 Ca 0.09 -1.38 -0.04 0.00 1.00 0.00 0.00 64.86 64.53 2nzd h ILE 70 Cb 0.75 2.18 -0.03 0.00 -0.74 0.00 0.00 36.82 38.98 2nzd h ILE 70 CO 0.06 0.38 0.24 0.00 0.00 0.00 0.00 178.15 178.83 2nzd h ALA 71 N 0.50 1.17 0.24 1.87 0.00 0.00 -1.38 119.26 121.66 2nzd h ALA 71 Ca 0.00 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.73 2nzd h ALA 71 Cb 0.67 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 2nzd h ALA 71 CO 0.02 0.59 -0.34 0.78 0.00 0.00 0.00 179.25 180.30 2nzd h GLY 72 N 1.05 -0.74 0.97 0.00 0.00 0.38 -0.34 103.07 104.39 2nzd h GLY 72 Ca 0.22 0.40 -0.03 0.00 0.00 0.00 0.00 47.33 47.92 2nzd h GLY 72 CO -0.01 -0.27 0.21 -2.09 0.00 0.00 0.00 176.54 174.38 2nzd h GLU 73 N -0.65 0.76 -0.88 4.80 4.57 -1.32 -1.96 114.58 119.91 2nzd h GLU 73 Ca 0.00 -0.13 0.11 0.00 -1.18 0.00 0.00 59.36 58.15 2nzd h GLU 73 Cb 0.63 -0.13 -0.08 0.00 -0.16 0.00 0.00 28.75 29.01 2nzd h GLU 73 CO -0.13 0.67 0.51 0.00 -1.18 0.00 0.00 179.01 178.88 2nzd h ALA 74 N 1.06 1.28 0.12 2.92 0.00 -1.16 -0.28 119.26 123.19 2nzd h ALA 74 Ca 0.17 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.12 2nzd h ALA 74 Cb 0.18 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2nzd h ALA 74 CO -0.02 0.12 -0.16 1.03 0.00 0.00 0.00 179.25 180.23 2nzd h SER 75 N 0.83 -0.43 -0.81 0.00 0.87 -0.34 -2.11 113.55 111.56 2nzd h SER 75 Ca 0.43 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 61.04 2nzd h SER 75 Cb 0.42 0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 62.50 2nzd h SER 75 CO -0.26 -0.23 0.52 0.03 -0.53 0.00 0.00 176.83 176.35 2nzd h ARG 76 N -0.32 1.08 -0.29 2.24 3.08 -0.86 -2.42 114.38 116.89 2nzd h ARG 76 Ca 0.01 -0.08 0.07 0.00 0.07 0.00 0.00 59.98 60.05 2nzd h ARG 76 Cb 0.33 -0.24 -0.07 0.00 0.08 0.00 0.00 29.97 30.07 2nzd h ARG 76 CO -0.07 0.73 -0.18 -0.07 -1.07 0.00 0.00 179.97 179.32 2nzd h LEU 77 N 1.10 -0.58 -0.22 3.04 3.38 -0.72 0.45 115.31 121.76 2nzd h LEU 77 Ca 0.29 0.13 0.03 0.00 0.09 0.00 0.00 57.88 58.42 2nzd h LEU 77 Cb -0.10 0.30 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 2nzd h LEU 77 CO -0.06 -0.21 0.02 0.00 0.09 0.00 0.00 178.44 178.28 2nzd h ALA 78 N 1.04 0.21 0.11 1.53 0.00 -1.21 -2.61 119.26 118.34 2nzd h ALA 78 Ca 0.15 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.13 2nzd h ALA 78 Cb 0.38 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2nzd h ALA 78 CO -0.38 -0.40 -0.18 0.45 0.00 0.00 0.00 179.25 178.73 2nzd h HIS 79 N 0.10 -0.48 -1.00 0.00 3.86 -0.93 -1.28 115.15 115.42 2nzd h HIS 79 Ca 0.10 0.01 0.26 0.00 -1.16 0.00 0.00 60.37 59.58 2nzd h HIS 79 Cb 0.11 0.20 -0.07 0.00 1.06 0.00 0.00 27.41 28.71 2nzd h HIS 79 CO -0.16 -0.27 0.67 1.88 0.86 0.00 0.00 177.93 180.91 2nzd h TYR 80 N -0.36 0.41 -0.71 2.45 0.05 -0.85 -1.05 116.97 116.91 2nzd h TYR 80 Ca 0.02 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.82 2nzd h TYR 80 Cb 0.37 -0.12 0.00 0.00 1.01 0.00 0.00 36.73 37.99 2nzd h TYR 80 CO -0.18 0.06 0.00 0.09 -1.05 0.00 0.00 178.16 177.08 2nzd n ASN 81 N -4.46 4.27 -3.50 3.88 3.02 -0.71 -4.96 115.26 112.80 2nzd n ASN 81 Ca 0.23 -2.17 -0.25 0.00 -0.03 0.00 0.00 54.58 52.36 2nzd n ASN 81 Cb 0.90 -0.53 0.06 0.00 -0.61 0.00 0.00 39.78 39.60 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 1.48 -1.69 -4.30 3.52 5.02 -0.40 -5.01 118.16 116.78 2nzd n LYS 82 Ca 0.25 0.63 -0.22 0.00 -2.02 0.00 0.00 58.31 56.95 2nzd n LYS 82 Cb 0.73 -4.85 -0.13 0.00 -0.02 0.00 0.00 35.03 30.76 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 -5.31 1.06 0.05 1.97 1.81 -0.57 -5.04 118.95 112.91 2nzd s ARG 83 Ca 0.47 -1.04 0.23 0.00 -1.72 0.00 0.00 55.73 53.67 2nzd s ARG 83 Cb -0.12 -1.21 0.13 0.00 -0.45 0.00 0.00 34.95 33.30 2nzd s ARG 83 CO 0.81 0.28 1.11 0.43 -0.68 0.00 0.00 175.30 177.25 2nzd n SER 84 N 1.31 0.63 -4.17 0.23 7.64 -1.26 -4.44 113.62 113.56 2nzd n SER 84 Ca -0.20 -0.22 -0.28 0.00 1.01 0.00 0.00 58.87 59.19 2nzd n SER 84 Cb 0.54 0.65 -0.16 0.00 -1.01 0.00 0.00 64.21 64.23 2nzd n SER 84 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2nzd s THR 85 N -3.15 1.61 -0.39 0.44 2.01 -1.26 -5.10 115.64 109.80 2nzd s THR 85 Ca 0.05 -0.82 -0.19 0.00 0.31 0.00 0.00 61.69 61.05 2nzd s THR 85 Cb 0.15 -1.38 0.01 0.00 0.01 0.00 0.00 72.50 71.29 2nzd s THR 85 CO 0.78 0.46 0.55 -0.63 -0.69 0.00 0.00 174.62 175.09 2nzd s ILE 86 N -0.00 4.96 0.55 1.82 1.01 -1.26 -4.86 121.20 123.42 2nzd s ILE 86 Ca -0.04 0.19 0.06 0.00 0.00 0.00 0.00 60.65 60.85 2nzd s ILE 86 Cb -0.12 -4.06 0.05 0.00 0.01 0.00 0.00 42.46 38.34 2nzd s ILE 86 CO 0.03 -0.37 0.43 0.42 0.00 0.00 0.00 174.94 175.45 2nzd s THR 87 N 2.51 1.62 0.54 2.92 -4.23 -1.26 -4.98 115.64 112.76 2nzd s THR 87 Ca 0.19 -1.47 0.21 0.00 -1.18 0.00 0.00 61.69 59.44 2nzd s THR 87 Cb -0.15 -2.09 0.32 0.00 1.34 0.00 0.00 72.50 71.91 2nzd s THR 87 CO 0.15 0.00 2.13 0.77 -0.54 0.00 0.00 174.62 177.13 2nzd h SER 88 N 0.69 0.00 -0.78 3.99 4.64 -1.99 -1.34 113.55 118.76 2nzd h SER 88 Ca -0.36 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.94 2nzd h SER 88 Cb 1.30 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.36 2nzd h SER 88 CO 0.56 0.00 0.43 -0.09 -0.87 0.00 0.00 176.83 176.86 2nzd h ARG 89 N 0.00 1.08 -0.50 4.77 2.43 -1.99 -0.19 114.38 119.98 2nzd h ARG 89 Ca 0.06 -0.13 -0.06 0.00 -0.81 0.00 0.00 59.98 59.05 2nzd h ARG 89 Cb 0.25 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 2nzd h ARG 89 CO -0.00 0.80 0.09 0.93 -1.51 0.00 0.00 179.97 180.28 2nzd h GLU 90 N 1.08 0.82 -0.74 0.20 3.07 -1.64 -1.38 114.58 115.99 2nzd h GLU 90 Ca 0.27 -0.22 -0.01 0.00 -0.50 0.00 0.00 59.36 58.91 2nzd h GLU 90 Cb 0.03 -0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 27.81 2nzd h GLU 90 CO -0.04 0.81 0.41 0.82 -1.40 0.00 0.00 179.01 179.61 2nzd h ILE 91 N 0.70 1.22 0.79 3.13 1.08 -1.19 -0.40 117.51 122.84 2nzd h ILE 91 Ca 0.15 -0.55 -0.04 0.00 -0.39 0.00 0.00 64.86 64.04 2nzd h ILE 91 Cb 0.38 0.24 0.01 0.00 -3.07 0.00 0.00 36.82 34.38 2nzd h ILE 91 CO 0.01 0.24 -0.38 -0.61 -0.69 0.00 0.00 178.15 176.72 2nzd h GLN 92 N 1.02 -1.02 -0.97 2.37 4.15 -0.82 0.79 115.11 120.63 2nzd h GLN 92 Ca 0.26 0.07 0.13 0.00 0.77 0.00 0.00 58.65 59.88 2nzd h GLN 92 Cb 0.03 0.23 -0.09 0.00 0.21 0.00 0.00 27.48 27.86 2nzd h GLN 92 CO -0.04 -0.67 0.60 1.15 -1.93 0.00 0.00 178.83 177.93 2nzd h THR 93 N -1.10 0.88 -0.36 2.39 2.02 -1.22 -0.59 112.91 114.93 2nzd h THR 93 Ca -0.11 -0.31 0.03 0.00 0.77 0.00 0.00 66.41 66.79 2nzd h THR 93 Cb 0.82 -0.12 -0.03 0.00 -1.74 0.00 0.00 68.15 67.07 2nzd h THR 93 CO 0.18 0.17 0.17 0.00 0.37 0.00 0.00 175.52 176.40 2nzd h ALA 94 N 1.55 0.44 -0.82 6.16 0.00 -0.62 -0.29 119.26 125.67 2nzd h ALA 94 Ca 0.50 0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.51 2nzd h ALA 94 Cb 0.54 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.22 2nzd h ALA 94 CO -0.29 -0.21 0.48 0.28 0.00 0.00 0.00 179.25 179.52 2nzd h VAL 95 N 0.35 0.93 -0.08 0.00 2.07 0.63 -0.63 116.25 119.52 2nzd h VAL 95 Ca 0.16 -0.28 -0.10 0.00 0.82 0.00 0.00 66.70 67.29 2nzd h VAL 95 Cb 0.08 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 29.88 2nzd h VAL 95 CO -0.12 0.15 -0.43 0.03 0.02 0.00 0.00 177.57 177.22 2nzd h ARG 96 N 0.82 0.17 -0.12 1.57 3.08 -0.05 -0.01 114.38 119.83 2nzd h ARG 96 Ca 0.39 -0.08 -0.21 0.00 0.07 0.00 0.00 59.98 60.15 2nzd h ARG 96 Cb 0.32 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.38 2nzd h ARG 96 CO -0.23 0.58 -0.76 -0.07 -1.07 0.00 0.00 179.97 178.42 2nzd h LEU 97 N 0.15 0.76 0.03 3.04 3.38 -0.45 -3.40 115.31 118.82 2nzd h LEU 97 Ca 0.01 -0.50 -0.19 0.00 0.09 0.00 0.00 57.88 57.30 2nzd h LEU 97 Cb 0.82 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 2nzd h LEU 97 CO 0.06 1.27 -1.01 -0.07 0.09 0.00 0.00 178.44 178.78 2nzd h LEU 98 N 0.44 0.09 -9.84 1.67 3.38 -0.83 -3.47 115.31 106.74 2nzd h LEU 98 Ca -0.04 -0.71 -0.48 0.00 0.09 0.00 0.00 57.88 56.74 2nzd h LEU 98 Cb 1.36 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 42.06 2nzd h LEU 98 CO 0.15 1.41 0.31 -0.76 0.09 0.00 0.00 178.44 179.64 2nzd s LEU 99 N -7.86 4.42 0.66 1.67 1.43 -0.05 -5.05 118.68 113.90 2nzd s LEU 99 Ca -0.24 1.81 -0.16 0.00 -1.03 0.00 0.00 54.13 54.51 2nzd s LEU 99 Cb 0.03 -3.84 0.00 0.00 0.03 0.00 0.00 46.19 42.41 2nzd s LEU 99 CO 0.66 0.01 1.14 -2.84 0.23 0.00 0.00 176.35 175.54 2nzd s PRO 100 N -1.81 2.72 0.00 1.29 0.02 -1.26 -4.48 135.00 131.48 2nzd s PRO 100 Ca 0.47 1.53 0.00 0.00 0.02 0.00 0.00 61.00 63.01 2nzd s PRO 100 Cb -0.20 -1.93 0.00 0.00 0.02 0.00 0.00 34.50 32.39 2nzd s PRO 100 CO 0.25 -1.34 0.00 0.41 -0.33 0.00 0.00 177.00 176.00 2nzd n GLY 101 N -0.16 0.00 0.21 0.52 0.00 -1.26 -0.77 105.19 103.72 2nzd n GLY 101 Ca 0.11 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.33 1.61 4.57 -2.01 -2.23 114.58 116.20 2nzd h GLU 102 Ca 0.00 0.00 -0.14 0.00 -1.18 0.00 0.00 59.36 58.04 2nzd h GLU 102 Cb 0.00 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.59 2nzd h GLU 102 CO 0.00 0.30 -0.36 1.25 -1.18 0.00 0.00 179.01 179.02 2nzd h LEU 103 N 0.00 0.88 0.45 1.64 5.85 -1.55 -3.05 115.31 119.53 2nzd h LEU 103 Ca -0.00 -0.48 -0.01 0.00 0.84 0.00 0.00 57.88 58.23 2nzd h LEU 103 Cb 0.56 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 2nzd h LEU 103 CO 0.04 1.18 -0.40 0.00 -0.34 0.00 0.00 178.44 178.92 2nzd h ALA 104 N 0.72 -0.90 -0.33 1.25 0.00 -0.36 -2.22 119.26 117.43 2nzd h ALA 104 Ca 0.05 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 54.87 2nzd h ALA 104 Cb 0.95 0.56 -0.08 0.00 0.00 0.00 0.00 17.79 19.22 2nzd h ALA 104 CO 0.09 -1.04 -0.34 -0.22 0.00 0.00 0.00 179.25 177.74 2nzd h LYS 105 N -0.85 -0.29 -0.72 0.00 3.64 -1.50 0.15 116.57 117.00 2nzd h LYS 105 Ca -0.04 0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.32 2nzd h LYS 105 Cb 0.75 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.60 2nzd h LYS 105 CO -0.04 -0.19 0.31 0.45 -2.27 0.00 0.00 179.45 177.70 2nzd h HIS 106 N -0.30 1.07 -0.26 1.91 3.86 -1.56 -2.33 115.15 117.54 2nzd h HIS 106 Ca 0.15 -0.07 -0.01 0.00 -1.16 0.00 0.00 60.37 59.28 2nzd h HIS 106 Cb 0.55 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 28.68 2nzd h HIS 106 CO -0.51 0.82 0.14 0.00 0.86 0.00 0.00 177.93 179.23 2nzd h ALA 107 N 1.15 0.34 -0.69 2.45 0.00 -0.66 0.62 119.26 122.47 2nzd h ALA 107 Ca 0.24 -0.07 0.09 0.00 0.00 0.00 0.00 54.91 55.17 2nzd h ALA 107 Cb 0.18 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.80 2nzd h ALA 107 CO -0.02 -0.13 0.33 0.28 0.00 0.00 0.00 179.25 179.71 2nzd h VAL 108 N 0.31 0.85 -0.11 0.00 2.07 -0.59 -1.30 116.25 117.47 2nzd h VAL 108 Ca 0.09 -0.20 -0.16 0.00 0.82 0.00 0.00 66.70 67.26 2nzd h VAL 108 Cb 0.07 0.22 0.01 0.00 -1.52 0.00 0.00 31.29 30.07 2nzd h VAL 108 CO -0.01 0.10 -0.54 0.77 0.02 0.00 0.00 177.57 177.91 2nzd h SER 109 N 0.57 0.67 -0.99 0.57 4.64 -1.17 0.28 113.55 118.12 2nzd h SER 109 Ca 0.34 -0.64 0.11 0.00 -0.47 0.00 0.00 61.79 61.13 2nzd h SER 109 Cb 0.35 -0.20 -0.08 0.00 -0.31 0.00 0.00 62.40 62.16 2nzd h SER 109 CO -0.27 1.20 0.62 -0.33 -0.87 0.00 0.00 176.83 177.19 2nzd h GLU 110 N 0.18 0.98 0.03 4.77 4.39 -0.61 0.61 114.58 124.93 2nzd h GLU 110 Ca -0.04 -0.06 -0.23 0.00 0.34 0.00 0.00 59.36 59.37 2nzd h GLU 110 Cb 1.19 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 29.59 2nzd h GLU 110 CO 0.11 0.65 -1.13 0.78 -1.16 0.00 0.00 179.01 178.26 2nzd h GLY 111 N 1.01 0.08 1.03 -3.84 0.00 -1.12 -2.60 103.07 97.63 2nzd h GLY 111 Ca 0.48 -0.20 -0.09 0.00 0.00 0.00 0.00 47.33 47.52 2nzd h GLY 111 CO -0.25 0.18 -0.03 -0.84 0.00 0.00 0.00 176.54 175.59 2nzd h THR 112 N 0.02 1.27 -0.69 4.70 2.02 -0.44 -2.78 112.91 117.01 2nzd h THR 112 Ca -0.07 -1.14 0.05 0.00 0.77 0.00 0.00 66.41 66.02 2nzd h THR 112 Cb 1.84 0.99 -0.05 0.00 -1.74 0.00 0.00 68.15 69.19 2nzd h THR 112 CO 0.14 0.40 0.41 0.50 0.37 0.00 0.00 175.52 177.34 2nzd h LYS 113 N 0.78 0.75 -0.05 6.66 3.64 -0.87 -2.21 116.57 125.26 2nzd h LYS 113 Ca 0.14 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.38 2nzd h LYS 113 Cb 0.57 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 2nzd h LYS 113 CO 0.03 0.49 -0.40 0.00 -2.27 0.00 0.00 179.45 177.30 2nzd h ALA 114 N 1.33 1.23 -0.12 5.00 0.00 -1.42 -0.85 119.26 124.42 2nzd h ALA 114 Ca 0.29 -0.39 -0.23 0.00 0.00 0.00 0.00 54.91 54.58 2nzd h ALA 114 Cb 0.11 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.83 2nzd h ALA 114 CO -0.15 0.55 -0.83 0.28 0.00 0.00 0.00 179.25 179.10 2nzd h VAL 115 N 0.10 1.28 0.71 0.00 2.07 -1.20 -1.96 116.25 117.25 2nzd h VAL 115 Ca 0.01 -2.03 -0.03 0.00 0.82 0.00 0.00 66.70 65.46 2nzd h VAL 115 Cb 0.76 2.06 0.00 0.00 -1.52 0.00 0.00 31.29 32.59 2nzd h VAL 115 CO 0.06 0.64 -0.40 0.74 0.02 0.00 0.00 177.57 178.63 2nzd h THR 116 N 0.50 0.00 -1.09 2.57 2.02 -1.32 -1.48 112.91 114.11 2nzd h THR 116 Ca -0.07 0.00 0.31 0.00 0.77 0.00 0.00 66.41 67.42 2nzd h THR 116 Cb 1.46 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 67.81 2nzd h THR 116 CO 0.17 0.00 0.77 0.50 0.37 0.00 0.00 175.52 177.33 2nzd h LYS 117 N -1.02 0.09 0.02 6.66 3.64 -1.18 0.22 116.57 125.00 2nzd h LYS 117 Ca -0.10 -0.01 -0.24 0.00 -1.27 0.00 0.00 60.65 59.04 2nzd h LYS 117 Cb 0.80 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.57 2nzd h LYS 117 CO 0.12 0.06 -1.17 -0.92 -2.27 0.00 0.00 179.45 175.27 2nzd h TYR 118 N 0.09 0.07 0.09 1.91 3.20 -1.24 -3.36 116.97 117.74 2nzd h TYR 118 Ca 0.54 -0.05 -0.00 0.00 3.14 0.00 0.00 58.73 62.36 2nzd h TYR 118 Cb 1.98 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 40.25 2nzd h TYR 118 CO -0.00 1.05 -0.05 1.15 -1.64 0.00 0.00 178.16 178.67 2nzd h THR 119 N 0.01 1.08 -0.35 1.81 2.02 0.43 -3.36 112.91 114.55 2nzd h THR 119 Ca -0.08 -1.35 -0.70 0.00 0.77 0.00 0.00 66.41 65.05 2nzd h THR 119 Cb 1.84 1.85 -0.03 0.00 -1.74 0.00 0.00 68.15 70.08 2nzd h THR 119 CO 0.13 0.30 3.33 -1.20 0.37 0.00 0.00 175.52 178.44 2nzd n SER 120 N -4.85 7.77 -3.36 4.18 7.64 0.07 -4.71 113.62 120.36 2nzd n SER 120 Ca -0.08 -2.77 0.02 0.00 1.01 0.00 0.00 58.87 57.05 2nzd n SER 120 Cb 0.29 -1.52 -0.03 0.00 -1.01 0.00 0.00 64.21 61.94 2nzd n SER 120 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2nzd s ALA 121 N 1.42 -2.57 -1.23 -0.43 0.00 -1.26 -4.88 121.76 112.81 2nzd s ALA 121 Ca 0.62 1.97 0.00 0.00 0.00 0.00 0.00 51.96 54.55 2nzd s ALA 121 Cb 0.17 -2.09 0.00 0.00 0.00 0.00 0.00 23.12 21.20 2nzd s ALA 121 CO -0.07 -1.12 0.31 0.36 0.00 0.00 0.00 175.76 175.23