#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ctz n GLU -4 N 0.00 0.04 -3.66 1.09 1.02 -1.26 -5.11 120.64 112.77 1ctz n GLU -4 Ca 0.00 -0.45 -0.06 0.00 -0.02 0.00 0.00 57.16 56.63 1ctz n GLU -4 Cb 0.00 0.48 -0.08 0.00 -0.02 0.00 0.00 31.44 31.82 1ctz n GLU -4 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1ctz s PHE -3 N 0.00 -0.95 -0.05 -0.32 5.36 -1.26 -4.99 117.98 115.77 1ctz s PHE -3 Ca 0.00 1.77 0.03 0.00 -0.96 0.00 0.00 56.93 57.77 1ctz s PHE -3 Cb 0.01 0.46 0.01 0.00 -0.34 0.00 0.00 43.02 43.16 1ctz s PHE -3 CO -0.00 -0.53 -0.14 0.15 -1.46 0.00 0.00 175.22 173.24 1ctz s LYS -2 N 2.56 1.67 0.43 10.12 1.02 -1.26 -5.12 119.74 129.17 1ctz s LYS -2 Ca -0.04 -0.47 -0.22 0.00 0.02 0.00 0.00 55.97 55.26 1ctz s LYS -2 Cb -0.11 -1.41 -0.13 0.00 -0.52 0.00 0.00 37.83 35.66 1ctz s LYS -2 CO -0.15 0.11 0.42 0.00 -0.92 0.00 0.00 175.35 174.81 1ctz n ALA -1 N 3.54 -1.87 -3.33 5.17 0.00 -1.26 -4.85 120.51 117.90 1ctz n ALA -1 Ca -0.21 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1ctz n ALA -1 Cb 0.52 -1.70 0.00 0.00 0.00 0.00 0.00 19.45 18.28 1ctz n ALA -1 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ctz n GLY 1 N 1.94 5.60 3.63 0.00 0.00 -1.26 -4.91 105.19 110.18 1ctz n GLY 1 Ca 0.11 -1.93 -0.42 0.00 0.00 0.00 0.00 46.02 43.78 1ctz n GLY 1 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ctz s SER 2 N 0.01 6.76 0.06 1.61 0.15 -1.26 -4.87 113.70 116.16 1ctz s SER 2 Ca 0.00 0.83 -0.25 0.00 0.70 0.00 0.00 55.95 57.24 1ctz s SER 2 Cb 0.00 -2.44 -0.17 0.00 -1.71 0.00 0.00 66.02 61.71 1ctz s SER 2 CO 0.00 -0.63 1.60 0.00 1.20 0.00 0.00 173.24 175.40 1ctz h ALA 3 N 7.98 -0.13 -0.81 5.45 0.00 -1.89 -0.11 119.26 129.75 1ctz h ALA 3 Ca -0.23 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1ctz h ALA 3 Cb 1.09 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1ctz h ALA 3 CO 0.91 -0.51 0.00 1.17 0.00 0.00 0.00 179.25 180.81 1ctz n LYS 4 N -5.09 0.00 -0.34 0.00 4.81 -1.26 0.13 118.16 116.41 1ctz n LYS 4 Ca -0.08 0.81 0.20 0.00 -0.87 0.00 0.00 58.31 58.37 1ctz n LYS 4 Cb 0.13 -1.28 0.43 0.00 0.02 0.00 0.00 35.03 34.32 1ctz n LYS 4 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 1ctz h LYS 5 N 0.00 0.46 -0.03 1.64 1.63 -1.94 0.22 116.57 118.56 1ctz h LYS 5 Ca 0.00 -0.03 0.02 0.00 -0.85 0.00 0.00 60.65 59.79 1ctz h LYS 5 Cb 0.00 -0.10 -0.04 0.00 -0.60 0.00 0.00 32.23 31.49 1ctz h LYS 5 CO 0.00 0.31 -0.35 0.78 -3.45 0.00 0.00 179.45 176.73 1ctz h GLY 6 N 0.48 -1.23 1.19 5.01 0.00 0.19 0.13 103.07 108.83 1ctz h GLY 6 Ca 0.68 0.65 0.00 0.00 0.00 0.00 0.00 47.33 48.66 1ctz h GLY 6 CO -0.51 -0.34 0.00 0.00 0.00 0.00 0.00 176.54 175.70 1ctz n ALA 7 N -2.82 1.37 -0.02 3.60 0.00 0.35 -1.29 120.51 121.69 1ctz n ALA 7 Ca -0.05 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.40 1ctz n ALA 7 Cb 0.26 -0.98 -0.07 0.00 0.00 0.00 0.00 19.45 18.65 1ctz n ALA 7 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1ctz n THR 8 N -1.10 0.27 -0.06 0.00 -2.24 -0.05 -3.87 114.28 107.23 1ctz n THR 8 Ca 0.00 -0.29 -0.13 0.00 -2.27 0.00 0.00 64.05 61.37 1ctz n THR 8 Cb 0.00 -0.18 -0.06 0.00 -2.10 0.00 0.00 70.33 67.99 1ctz n THR 8 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1ctz h LEU 9 N 0.00 0.40 0.00 3.22 4.07 -0.30 -2.10 115.31 120.60 1ctz h LEU 9 Ca -0.11 -0.43 0.00 0.00 0.08 0.00 0.00 57.88 57.42 1ctz h LEU 9 Cb 0.93 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.56 1ctz h LEU 9 CO 0.01 0.75 0.00 0.33 -1.08 0.00 0.00 178.44 178.45 1ctz n PHE 10 N -4.57 0.00 -0.02 1.13 -0.00 -1.06 0.23 117.46 113.17 1ctz n PHE 10 Ca -0.05 0.00 -0.00 0.00 -0.00 0.00 0.00 57.45 57.39 1ctz n PHE 10 Cb 0.33 -0.45 -0.00 0.00 -0.00 0.00 0.00 39.48 39.36 1ctz n PHE 10 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.76 177.93 1ctz n LYS 11 N -2.38 -0.02 0.00 -4.13 4.81 -1.22 0.21 118.16 115.43 1ctz n LYS 11 Ca 0.00 0.91 0.10 0.00 -0.87 0.00 0.00 58.31 58.45 1ctz n LYS 11 Cb 0.00 -1.36 0.58 0.00 0.02 0.00 0.00 35.03 34.27 1ctz n LYS 11 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1ctz n THR 12 N -2.99 0.01 0.00 3.15 -2.24 -0.79 -3.64 114.28 107.78 1ctz n THR 12 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1ctz n THR 12 Cb 0.01 -0.70 0.00 0.00 -2.10 0.00 0.00 70.33 67.54 1ctz n THR 12 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1ctz n ARG 13 N -1.01 1.95 0.00 -0.78 1.74 0.61 -4.98 116.66 114.20 1ctz n ARG 13 Ca 0.15 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.23 1ctz n ARG 13 Cb 0.07 -0.60 0.00 0.00 -1.02 0.00 0.00 32.46 30.91 1ctz n ARG 13 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ctz h LEU 15 N 0.00 0.00 -1.75 0.00 5.85 -1.56 0.27 115.31 118.12 1ctz h LEU 15 Ca 0.00 0.00 0.26 0.00 0.84 0.00 0.00 57.88 58.98 1ctz h LEU 15 Cb 0.25 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.22 1ctz h LEU 15 CO 0.00 0.22 0.67 -0.61 -0.34 0.00 0.00 178.44 178.38 1ctz h GLN 16 N 0.00 0.17 0.00 1.25 4.15 -1.87 -3.01 115.11 115.80 1ctz h GLN 16 Ca -0.00 -0.01 -0.06 0.00 0.77 0.00 0.00 58.65 59.35 1ctz h GLN 16 Cb 0.40 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.04 1ctz h GLN 16 CO 0.03 0.11 -1.21 0.00 -1.93 0.00 0.00 178.83 175.83 1ctz s HIS 18 N -2.07 1.69 0.04 0.00 3.76 0.08 -0.70 115.29 118.09 1ctz s HIS 18 Ca -0.03 -0.73 0.07 0.00 -0.15 0.00 0.00 55.06 54.22 1ctz s HIS 18 Cb 0.01 -0.91 -0.02 0.00 1.11 0.00 0.00 32.58 32.77 1ctz s HIS 18 CO 0.11 0.20 -0.20 0.95 -0.85 0.00 0.00 174.74 174.94 1ctz s THR 19 N -3.14 1.63 -0.19 1.30 -4.23 -1.26 -4.19 115.64 105.55 1ctz s THR 19 Ca 0.25 -1.19 0.17 0.00 -1.18 0.00 0.00 61.69 59.75 1ctz s THR 19 Cb 0.03 -1.42 -0.24 0.00 1.34 0.00 0.00 72.50 72.21 1ctz s THR 19 CO 0.08 0.19 0.07 1.33 -0.54 0.00 0.00 174.62 175.75 1ctz n VAL 20 N 1.85 1.35 -2.03 2.29 0.24 -1.26 -0.47 118.33 120.31 1ctz n VAL 20 Ca -0.17 -0.83 -0.42 0.00 -2.04 0.00 0.00 64.34 60.87 1ctz n VAL 20 Cb 0.53 -0.48 -0.03 0.00 -1.47 0.00 0.00 33.84 32.39 1ctz n VAL 20 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 1ctz s GLU 21 N -2.48 4.26 -0.58 7.34 -1.05 -1.26 -1.71 118.70 123.22 1ctz s GLU 21 Ca -0.10 2.25 -0.31 0.00 -0.15 0.00 0.00 54.97 56.67 1ctz s GLU 21 Cb 0.06 -3.18 -0.13 0.00 -0.44 0.00 0.00 34.13 30.44 1ctz s GLU 21 CO 0.81 -0.53 2.42 1.17 0.95 0.00 0.00 175.26 180.07 1ctz n LYS 22 N 3.84 0.78 0.00 -4.83 4.81 -1.26 0.09 118.16 121.58 1ctz n LYS 22 Ca 0.12 0.10 0.00 0.00 -0.87 0.00 0.00 58.31 57.67 1ctz n LYS 22 Cb 0.40 -2.57 0.00 0.00 0.02 0.00 0.00 35.03 32.88 1ctz n LYS 22 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ctz n GLY 23 N 6.33 0.73 3.83 3.14 0.00 -1.26 -5.08 105.19 112.88 1ctz n GLY 23 Ca 0.46 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.16 1ctz n GLY 23 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ctz s GLY 24 N -1.44 2.27 0.70 -0.02 0.00 0.11 -5.04 107.32 103.91 1ctz s GLY 24 Ca 0.00 0.30 -0.10 0.00 0.00 0.00 0.00 44.72 44.93 1ctz s GLY 24 CO 0.00 0.58 1.06 2.56 0.00 0.00 0.00 173.10 177.30 1ctz s PRO 25 N -3.48 2.57 0.24 2.90 0.04 -1.26 -4.81 135.00 131.20 1ctz s PRO 25 Ca 0.60 0.16 -0.17 0.00 0.04 0.00 0.00 61.00 61.64 1ctz s PRO 25 Cb -0.09 -2.09 -0.08 0.00 0.04 0.00 0.00 34.50 32.28 1ctz s PRO 25 CO 0.20 -1.12 0.69 -1.01 0.04 0.00 0.00 177.00 175.80 1ctz s HIS 26 N -3.31 3.54 0.00 0.56 3.76 -1.26 -4.29 115.29 114.29 1ctz s HIS 26 Ca 0.58 1.25 0.00 0.00 -0.15 0.00 0.00 55.06 56.74 1ctz s HIS 26 Cb -0.11 -2.53 0.00 0.00 1.11 0.00 0.00 32.58 31.05 1ctz s HIS 26 CO 0.48 0.27 0.00 1.63 -0.85 0.00 0.00 174.74 176.28 1ctz n LYS 27 N 0.35 0.00 -0.12 1.40 5.02 -1.26 -4.94 118.16 118.62 1ctz n LYS 27 Ca -0.01 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.19 1ctz n LYS 27 Cb 0.52 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.51 1ctz n LYS 27 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1ctz h VAL 28 N 0.00 1.19 -1.29 -0.18 2.07 -1.84 -3.43 116.25 112.77 1ctz h VAL 28 Ca 0.00 -0.58 -0.51 0.00 0.82 0.00 0.00 66.70 66.43 1ctz h VAL 28 Cb 0.00 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 1ctz h VAL 28 CO 0.00 0.21 -0.34 -0.83 0.02 0.00 0.00 177.57 176.62 1ctz s GLY 29 N -2.89 2.15 0.95 2.17 0.00 0.12 -5.07 107.32 104.75 1ctz s GLY 29 Ca -0.13 -1.80 -0.13 0.00 0.00 0.00 0.00 44.72 42.66 1ctz s GLY 29 CO 0.74 -1.74 1.13 -4.14 0.00 0.00 0.00 173.10 169.10 1ctz s PRO 30 N -4.20 0.84 0.41 2.90 0.02 -1.26 -4.61 135.00 129.11 1ctz s PRO 30 Ca 0.47 0.28 -0.13 0.00 0.02 0.00 0.00 61.00 61.63 1ctz s PRO 30 Cb -0.03 -1.81 -0.07 0.00 0.02 0.00 0.00 34.50 32.61 1ctz s PRO 30 CO 0.27 -2.40 0.82 1.21 -0.33 0.00 0.00 177.00 176.57 1ctz s ASN 31 N -3.95 6.62 0.00 2.53 3.84 -1.26 -4.29 114.94 118.42 1ctz s ASN 31 Ca 0.65 1.28 0.10 0.00 0.21 0.00 0.00 52.86 55.10 1ctz s ASN 31 Cb -0.15 -2.38 0.25 0.00 -0.55 0.00 0.00 41.25 38.42 1ctz s ASN 31 CO 0.54 -0.39 1.15 0.18 -2.79 0.00 0.00 177.10 175.79 1ctz n LEU 32 N -1.12 2.66 -4.60 3.21 4.77 0.38 -4.95 117.00 117.36 1ctz n LEU 32 Ca 0.04 -1.78 -0.57 0.00 -0.03 0.00 0.00 56.01 53.67 1ctz n LEU 32 Cb 0.54 -0.17 -0.07 0.00 -2.33 0.00 0.00 43.42 41.38 1ctz n LEU 32 CO 0.45 0.64 0.89 1.57 -1.33 0.00 0.00 177.39 179.62 1ctz n HIS 33 N 0.50 1.35 -1.24 -1.77 -0.00 -0.69 0.38 115.22 113.76 1ctz n HIS 33 Ca 0.10 0.81 -0.08 0.00 0.46 0.00 0.00 57.72 59.01 1ctz n HIS 33 Cb 0.38 -2.26 -0.03 0.00 -0.12 0.00 0.00 29.99 27.96 1ctz n HIS 33 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1ctz n GLY 34 N 2.64 1.00 0.25 1.57 0.00 0.83 -4.94 105.19 106.55 1ctz n GLY 34 Ca 0.22 -0.58 0.02 0.00 0.00 0.00 0.00 46.02 45.68 1ctz n GLY 34 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ctz h ILE 35 N 0.00 0.72 -3.98 -0.61 6.09 -0.29 -3.38 117.51 116.06 1ctz h ILE 35 Ca -0.17 -0.15 -0.52 0.00 -1.37 0.00 0.00 64.86 62.66 1ctz h ILE 35 Cb 0.57 0.26 0.07 0.00 0.47 0.00 0.00 36.82 38.19 1ctz h ILE 35 CO 0.24 0.08 0.53 -0.36 -3.07 0.00 0.00 178.15 175.57 1ctz s PHE 36 N -6.06 2.84 0.00 2.19 0.08 -1.25 -2.44 117.98 113.33 1ctz s PHE 36 Ca -0.13 1.50 0.00 0.00 0.12 0.00 0.00 56.93 58.42 1ctz s PHE 36 Cb 0.19 -3.49 0.00 0.00 -0.57 0.00 0.00 43.02 39.14 1ctz s PHE 36 CO 0.75 -1.75 0.00 0.41 -0.10 0.00 0.00 175.22 174.53 1ctz n GLY 37 N 0.57 2.47 3.80 4.36 0.00 0.30 -4.93 105.19 111.76 1ctz n GLY 37 Ca 0.06 -0.57 -0.32 0.00 0.00 0.00 0.00 46.02 45.20 1ctz n GLY 37 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ctz s ARG 38 N 0.00 2.95 0.63 1.61 3.52 -1.02 -4.54 118.95 122.10 1ctz s ARG 38 Ca 0.00 1.10 -0.06 0.00 -0.13 0.00 0.00 55.73 56.63 1ctz s ARG 38 Cb 0.00 -1.99 0.03 0.00 -1.56 0.00 0.00 34.95 31.43 1ctz s ARG 38 CO 0.00 -1.10 0.95 -1.01 -0.81 0.00 0.00 175.30 173.33 1ctz s HIS 39 N -2.78 3.14 0.42 5.12 3.76 -1.25 0.87 115.29 124.58 1ctz s HIS 39 Ca 0.61 0.60 -0.24 0.00 -0.15 0.00 0.00 55.06 55.88 1ctz s HIS 39 Cb -0.16 -2.91 -0.08 0.00 1.11 0.00 0.00 32.58 30.54 1ctz s HIS 39 CO 0.48 -1.04 1.12 -1.54 -0.85 0.00 0.00 174.74 172.92 1ctz s SER 40 N -4.38 6.49 -0.87 1.40 1.04 0.38 -4.18 113.70 113.59 1ctz s SER 40 Ca 0.56 2.22 -0.04 0.00 0.48 0.00 0.00 55.95 59.17 1ctz s SER 40 Cb -0.11 -2.60 -0.01 0.00 0.10 0.00 0.00 66.02 63.40 1ctz s SER 40 CO 0.45 -0.69 0.73 0.61 0.98 0.00 0.00 173.24 175.33 1ctz n GLY 41 N 0.46 -1.21 0.00 7.32 0.00 -1.26 -4.55 105.19 105.96 1ctz n GLY 41 Ca 0.06 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.59 1ctz n GLY 41 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ctz n GLN 42 N -2.53 0.03 -1.72 1.61 1.13 -1.26 -4.77 117.38 109.87 1ctz n GLN 42 Ca -0.08 -0.04 -0.41 0.00 -1.94 0.00 0.00 57.00 54.53 1ctz n GLN 42 Cb 0.57 -0.47 0.01 0.00 0.11 0.00 0.00 30.24 30.46 1ctz n GLN 42 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ctz n ALA 43 N -0.02 1.52 -2.57 -1.58 0.00 -1.26 -4.95 120.51 111.65 1ctz n ALA 43 Ca 0.00 0.27 -0.38 0.00 0.00 0.00 0.00 53.44 53.33 1ctz n ALA 43 Cb 0.19 -2.30 -0.06 0.00 0.00 0.00 0.00 19.45 17.28 1ctz n ALA 43 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1ctz s GLU 44 N -2.22 3.85 0.00 0.00 -1.05 -1.26 -3.28 118.70 114.74 1ctz s GLU 44 Ca 0.60 0.32 0.00 0.00 -0.15 0.00 0.00 54.97 55.74 1ctz s GLU 44 Cb -0.50 -3.22 0.00 0.00 -0.44 0.00 0.00 34.13 29.97 1ctz s GLU 44 CO 0.59 0.69 0.00 0.41 0.95 0.00 0.00 175.26 177.90 1ctz n GLY 45 N 1.88 0.74 3.24 -3.83 0.00 -1.26 -5.05 105.19 100.90 1ctz n GLY 45 Ca -0.15 -0.34 -0.31 0.00 0.00 0.00 0.00 46.02 45.22 1ctz n GLY 45 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ctz s TYR 46 N -2.00 2.45 -0.61 1.61 5.04 -1.20 -5.03 117.35 117.61 1ctz s TYR 46 Ca 0.00 -0.85 -0.13 0.00 -2.44 0.00 0.00 57.07 53.65 1ctz s TYR 46 Cb 0.00 -1.62 0.16 0.00 0.35 0.00 0.00 41.96 40.84 1ctz s TYR 46 CO 0.00 -0.30 0.53 -1.54 -1.34 0.00 0.00 175.55 172.90 1ctz s SER 47 N 0.06 6.15 0.54 4.32 1.04 -1.26 -4.94 113.70 119.62 1ctz s SER 47 Ca -0.10 -2.17 -0.10 0.00 0.48 0.00 0.00 55.95 54.07 1ctz s SER 47 Cb -0.15 -2.13 -0.05 0.00 0.10 0.00 0.00 66.02 63.79 1ctz s SER 47 CO 0.06 -0.70 0.93 -0.31 0.98 0.00 0.00 173.24 174.20 1ctz s TYR 48 N 1.00 3.57 1.09 5.02 2.02 -1.26 -5.08 117.35 123.71 1ctz s TYR 48 Ca 0.09 1.14 -0.17 0.00 -0.37 0.00 0.00 57.07 57.77 1ctz s TYR 48 Cb -0.23 -2.58 0.24 0.00 -0.40 0.00 0.00 41.96 39.00 1ctz s TYR 48 CO -0.02 -0.47 1.15 0.95 -1.57 0.00 0.00 175.55 175.59 1ctz s THR 49 N -2.90 1.78 0.17 -0.71 -4.23 -1.26 -4.94 115.64 103.56 1ctz s THR 49 Ca 0.53 0.00 -0.11 0.00 -1.18 0.00 0.00 61.69 60.93 1ctz s THR 49 Cb -0.11 -2.62 0.07 0.00 1.34 0.00 0.00 72.50 71.18 1ctz s THR 49 CO 0.46 0.00 1.67 0.44 -0.54 0.00 0.00 174.62 176.66 1ctz h ASP 50 N -2.17 0.94 -0.31 3.99 3.45 -1.98 -3.30 116.42 117.04 1ctz h ASP 50 Ca -0.47 -0.25 0.06 0.00 0.43 0.00 0.00 57.03 56.80 1ctz h ASP 50 Cb 1.29 -0.25 -0.08 0.00 -0.56 0.00 0.00 39.33 39.73 1ctz h ASP 50 CO 0.42 0.95 -0.39 0.00 -1.57 0.00 0.00 179.24 178.65 1ctz h ALA 51 N 1.03 -0.41 0.13 3.45 0.00 -1.87 -1.13 119.26 120.46 1ctz h ALA 51 Ca 0.19 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1ctz h ALA 51 Cb 0.40 0.80 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 1ctz h ALA 51 CO 0.01 -0.84 -0.08 -0.97 0.00 0.00 0.00 179.25 177.36 1ctz h ASN 52 N -0.36 -0.21 -0.94 0.00 -0.73 -1.86 0.12 115.58 111.61 1ctz h ASN 52 Ca 0.13 0.01 0.16 0.00 1.87 0.00 0.00 56.30 58.46 1ctz h ASN 52 Cb 0.58 0.06 -0.16 0.00 0.27 0.00 0.00 38.32 39.07 1ctz h ASN 52 CO -0.50 -0.12 -0.33 -0.38 -0.37 0.00 0.00 177.43 175.72 1ctz n ILE 53 N -2.68 -0.47 -0.29 2.57 5.41 -1.20 0.91 119.36 123.61 1ctz n ILE 53 Ca -0.02 2.18 -0.06 0.00 1.00 0.00 0.00 62.75 65.85 1ctz n ILE 53 Cb 0.08 -2.92 0.06 0.00 -0.71 0.00 0.00 39.64 36.16 1ctz n ILE 53 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 1ctz h LYS 54 N 0.00 1.19 -0.71 0.38 6.56 -1.14 -2.08 116.57 120.78 1ctz h LYS 54 Ca 0.36 -0.22 0.15 0.00 -1.06 0.00 0.00 60.65 59.88 1ctz h LYS 54 Cb 0.59 -0.19 -0.10 0.00 -0.57 0.00 0.00 32.23 31.96 1ctz h LYS 54 CO -0.94 0.97 0.17 -0.22 -2.06 0.00 0.00 179.45 177.37 1ctz h LYS 55 N 1.15 0.26 -6.17 3.15 1.63 0.33 -3.46 116.57 113.47 1ctz h LYS 55 Ca 0.26 -0.02 -0.28 0.00 -0.85 0.00 0.00 60.65 59.76 1ctz h LYS 55 Cb 0.23 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 31.80 1ctz h LYS 55 CO -0.02 0.18 -0.70 -1.71 -3.45 0.00 0.00 179.45 173.75 1ctz n ASN 56 N -5.15 -6.12 -4.84 4.20 4.05 -0.68 -4.98 115.26 101.74 1ctz n ASN 56 Ca 0.13 -0.48 -0.37 0.00 0.45 0.00 0.00 54.58 54.30 1ctz n ASN 56 Cb 0.43 -3.15 -0.06 0.00 1.23 0.00 0.00 39.78 38.22 1ctz n ASN 56 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1ctz s VAL 57 N -2.82 5.28 -0.31 3.44 1.01 -1.26 -4.78 120.40 120.96 1ctz s VAL 57 Ca 0.06 0.52 -0.23 0.00 0.00 0.00 0.00 61.98 62.33 1ctz s VAL 57 Cb -0.01 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.81 1ctz s VAL 57 CO 0.84 0.57 0.76 -0.22 0.00 0.00 0.00 175.10 177.05 1ctz s LEU 58 N -0.84 4.10 -0.83 3.92 0.20 -1.26 0.14 118.68 124.12 1ctz s LEU 58 Ca 0.19 0.59 -0.25 0.00 0.69 0.00 0.00 54.13 55.34 1ctz s LEU 58 Cb -0.14 -3.03 0.01 0.00 -0.43 0.00 0.00 46.19 42.60 1ctz s LEU 58 CO 0.08 -0.61 1.56 0.26 -0.29 0.00 0.00 176.35 177.35 1ctz s TRP 59 N 2.92 2.15 0.34 5.38 0.23 0.25 -4.88 118.94 125.34 1ctz s TRP 59 Ca 0.31 0.00 0.09 0.00 -2.03 0.00 0.00 56.10 54.47 1ctz s TRP 59 Cb -0.14 -4.44 -0.05 0.00 0.03 0.00 0.00 33.47 28.87 1ctz s TRP 59 CO 0.13 -2.02 0.03 0.16 0.96 0.00 0.00 176.95 176.21 1ctz s ASP 60 N 5.74 4.24 0.27 2.95 1.47 -1.26 0.11 116.67 130.19 1ctz s ASP 60 Ca 0.51 -0.97 -0.02 0.00 1.18 0.00 0.00 52.55 53.25 1ctz s ASP 60 Cb -0.06 -0.55 0.36 0.00 -0.34 0.00 0.00 42.92 42.33 1ctz s ASP 60 CO 0.06 -0.26 1.81 1.05 0.68 0.00 0.00 175.17 178.52 1ctz h GLU 61 N 1.77 0.87 -0.06 2.11 4.11 -1.98 -2.65 114.58 118.74 1ctz h GLU 61 Ca -0.43 -0.18 -0.15 0.00 0.07 0.00 0.00 59.36 58.67 1ctz h GLU 61 Cb 1.25 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 1ctz h GLU 61 CO 0.67 0.78 -0.63 -0.91 0.07 0.00 0.00 179.01 178.98 1ctz h ASN 62 N 0.84 0.27 0.32 3.06 4.21 -1.97 -2.91 115.58 119.40 1ctz h ASN 62 Ca 0.18 -0.16 -0.02 0.00 1.21 0.00 0.00 56.30 57.52 1ctz h ASN 62 Cb 0.30 -0.08 0.00 0.00 -1.12 0.00 0.00 38.32 37.42 1ctz h ASN 62 CO -0.00 0.83 -0.15 0.78 -1.29 0.00 0.00 177.43 177.60 1ctz h ASN 63 N 0.17 -0.36 -0.85 5.81 2.35 -1.87 -3.33 115.58 117.51 1ctz h ASN 63 Ca -0.01 -0.17 0.25 0.00 -0.55 0.00 0.00 56.30 55.81 1ctz h ASN 63 Cb 1.15 0.09 -0.03 0.00 0.05 0.00 0.00 38.32 39.58 1ctz h ASN 63 CO 0.10 0.09 0.63 -0.03 -1.65 0.00 0.00 177.43 176.57 1ctz h MET 64 N -0.94 0.00 0.13 0.81 4.05 -1.55 0.23 114.93 117.66 1ctz h MET 64 Ca -0.04 0.00 -0.21 0.00 -0.28 0.00 0.00 59.70 59.17 1ctz h MET 64 Cb 0.51 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 31.32 1ctz h MET 64 CO 0.07 0.00 -0.97 1.03 0.23 0.00 0.00 176.91 177.28 1ctz h SER 65 N 0.00 0.42 -0.38 1.39 0.87 -1.62 -1.91 113.55 112.32 1ctz h SER 65 Ca 0.40 -0.92 -0.06 0.00 -1.23 0.00 0.00 61.79 59.98 1ctz h SER 65 Cb 1.65 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 63.46 1ctz h SER 65 CO -0.00 1.45 -0.01 -0.33 -0.53 0.00 0.00 176.83 177.40 1ctz h GLU 66 N -0.39 0.67 -0.27 2.24 3.07 -1.47 0.65 114.58 119.09 1ctz h GLU 66 Ca -0.19 -0.22 0.06 0.00 -0.50 0.00 0.00 59.36 58.52 1ctz h GLU 66 Cb 1.65 -0.06 -0.08 0.00 -0.84 0.00 0.00 28.75 29.42 1ctz h GLU 66 CO 0.11 0.78 -0.30 0.35 -1.40 0.00 0.00 179.01 178.55 1ctz h PHE 67 N 0.49 -0.81 -0.23 4.33 -0.00 -0.69 0.48 116.94 120.51 1ctz h PHE 67 Ca 0.11 0.05 0.06 0.00 -0.00 0.00 0.00 57.97 58.18 1ctz h PHE 67 Cb 0.48 0.39 -0.01 0.00 -0.00 0.00 0.00 35.95 36.81 1ctz h PHE 67 CO 0.04 -0.37 0.16 -0.07 -0.00 0.00 0.00 178.31 178.08 1ctz h LEU 68 N -0.29 0.03 0.04 0.59 3.38 -1.05 0.40 115.31 118.41 1ctz h LEU 68 Ca 0.14 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.12 1ctz h LEU 68 Cb 0.51 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1ctz h LEU 68 CO -0.43 0.02 -0.09 0.74 0.09 0.00 0.00 178.44 178.77 1ctz h THR 69 N 0.04 0.77 -1.16 0.22 2.02 0.52 -3.07 112.91 112.25 1ctz h THR 69 Ca 0.11 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.28 1ctz h THR 69 Cb 0.38 0.77 -0.23 0.00 -1.74 0.00 0.00 68.15 67.34 1ctz h THR 69 CO -0.01 0.00 -0.39 0.21 0.37 0.00 0.00 175.52 175.70 1ctz s ASN 70 N -5.04 -1.16 0.00 4.18 3.84 -0.06 -3.95 114.94 112.75 1ctz s ASN 70 Ca -0.14 0.22 0.00 0.00 0.21 0.00 0.00 52.86 53.15 1ctz s ASN 70 Cb 0.07 1.86 0.00 0.00 -0.55 0.00 0.00 41.25 42.64 1ctz s ASN 70 CO 0.66 -0.30 0.42 -2.65 -2.79 0.00 0.00 177.10 172.44 1ctz n PRO 71 N 5.41 0.41 0.00 0.43 -0.02 -0.09 -0.67 135.00 140.48 1ctz n PRO 71 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 1ctz n PRO 71 Cb 0.52 -1.29 0.00 0.00 -0.02 0.00 0.00 33.50 32.71 1ctz n PRO 71 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1ctz n LYS 73 N 0.81 0.00 -0.12 -0.52 3.00 -1.26 0.32 118.16 120.39 1ctz n LYS 73 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 58.31 58.22 1ctz n LYS 73 Cb 0.21 0.00 -0.01 0.00 0.00 0.00 0.00 35.03 35.23 1ctz n LYS 73 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.40 176.48 1ctz h TYR 74 N 0.00 0.53 -2.51 5.64 3.20 -1.21 -3.36 116.97 119.26 1ctz h TYR 74 Ca 0.00 -0.02 -0.60 0.00 3.14 0.00 0.00 58.73 61.25 1ctz h TYR 74 Cb 0.00 -0.17 -0.39 0.00 1.54 0.00 0.00 36.73 37.71 1ctz h TYR 74 CO 0.00 0.44 -0.87 -0.89 -1.64 0.00 0.00 178.16 175.20 1ctz n ILE 75 N -4.72 -0.33 -1.67 1.81 5.41 0.15 -5.09 119.36 114.92 1ctz n ILE 75 Ca -0.00 -3.90 -0.46 0.00 1.00 0.00 0.00 62.75 59.38 1ctz n ILE 75 Cb 0.10 -1.83 -0.04 0.00 -0.71 0.00 0.00 39.64 37.16 1ctz n ILE 75 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1ctz n PRO 76 N 2.43 2.21 0.00 0.38 -0.02 -1.26 -1.11 135.00 137.63 1ctz n PRO 76 Ca 0.27 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.55 1ctz n PRO 76 Cb 0.45 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.33 1ctz n PRO 76 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ctz n GLY 77 N 3.76 1.13 3.82 -1.23 0.00 -1.26 -4.80 105.19 106.61 1ctz n GLY 77 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 1ctz n GLY 77 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ctz s THR 78 N -2.00 4.55 -1.97 2.61 -1.32 -0.26 -4.54 115.64 112.70 1ctz s THR 78 Ca 0.00 1.27 0.02 0.00 -1.21 0.00 0.00 61.69 61.78 1ctz s THR 78 Cb 0.00 -3.81 0.07 0.00 -1.51 0.00 0.00 72.50 67.25 1ctz s THR 78 CO 0.00 0.10 1.05 2.29 -2.21 0.00 0.00 174.62 175.85 1ctz n LYS 79 N 0.42 1.19 -2.50 7.08 2.85 -1.26 -4.73 118.16 121.22 1ctz n LYS 79 Ca -0.00 -0.29 -0.40 0.00 -1.05 0.00 0.00 58.31 56.57 1ctz n LYS 79 Cb 0.51 -1.08 -0.03 0.00 -0.65 0.00 0.00 35.03 33.79 1ctz n LYS 79 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 177.40 178.76 1ctz s MET 80 N -1.87 3.37 -0.95 -1.58 1.75 -1.26 -4.85 119.30 113.91 1ctz s MET 80 Ca 0.05 -0.78 -0.17 0.00 -1.25 0.00 0.00 55.69 53.54 1ctz s MET 80 Cb 0.03 -5.02 -0.10 0.00 2.84 0.00 0.00 34.83 32.58 1ctz s MET 80 CO 0.04 -2.31 2.05 0.00 -0.65 0.00 0.00 175.02 174.15 1ctz n ALA 81 N 9.57 4.13 -3.79 4.11 0.00 -1.26 -4.75 120.51 128.52 1ctz n ALA 81 Ca 0.26 -3.17 -0.27 0.00 0.00 0.00 0.00 53.44 50.26 1ctz n ALA 81 Cb 0.50 -3.49 -0.17 0.00 0.00 0.00 0.00 19.45 16.30 1ctz n ALA 81 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1ctz s PHE 82 N 4.28 1.17 0.03 0.00 2.19 -1.26 -5.04 117.98 119.35 1ctz s PHE 82 Ca 0.53 -0.80 -0.15 0.00 0.33 0.00 0.00 56.93 56.83 1ctz s PHE 82 Cb 0.14 -1.07 -0.08 0.00 -1.31 0.00 0.00 43.02 40.70 1ctz s PHE 82 CO 0.05 -0.56 1.24 0.78 1.83 0.00 0.00 175.22 178.56 1ctz h GLY 83 N 8.22 -0.81 0.00 13.12 0.00 -1.96 -3.39 103.07 118.25 1ctz h GLY 83 Ca -0.19 0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1ctz h GLY 83 CO 0.34 -0.28 0.00 0.61 0.00 0.00 0.00 176.54 177.21 1ctz n GLY 84 N -1.26 1.59 3.00 4.60 0.00 -1.26 -4.29 105.19 107.57 1ctz n GLY 84 Ca -0.06 -1.37 -0.32 0.00 0.00 0.00 0.00 46.02 44.27 1ctz n GLY 84 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ctz s LEU 85 N 0.00 4.65 0.44 0.99 1.43 -1.16 -4.97 118.68 120.05 1ctz s LEU 85 Ca 0.00 -3.01 0.12 0.00 -1.03 0.00 0.00 54.13 50.22 1ctz s LEU 85 Cb 0.00 -1.72 0.96 0.00 0.03 0.00 0.00 46.19 45.47 1ctz s LEU 85 CO 0.00 -0.27 2.00 0.07 0.23 0.00 0.00 176.35 178.38 1ctz h LYS 86 N 6.62 0.14 -6.25 1.70 -0.00 -1.86 -3.40 116.57 113.52 1ctz h LYS 86 Ca -0.05 -0.02 -0.55 0.00 -0.00 0.00 0.00 60.65 60.03 1ctz h LYS 86 Cb 0.91 -0.02 -0.04 0.00 -0.00 0.00 0.00 32.23 33.08 1ctz h LYS 86 CO 0.70 0.23 0.33 0.15 -0.00 0.00 0.00 179.45 180.86 1ctz s LYS 87 N -4.85 4.49 0.13 0.07 1.02 -1.26 -4.97 119.74 114.37 1ctz s LYS 87 Ca -0.05 1.24 -0.19 0.00 0.02 0.00 0.00 55.97 56.99 1ctz s LYS 87 Cb 0.16 -3.48 -0.01 0.00 -0.52 0.00 0.00 37.83 33.98 1ctz s LYS 87 CO 0.71 -0.08 1.73 1.49 -0.92 0.00 0.00 175.35 178.28 1ctz h GLU 88 N 6.88 0.13 -0.04 1.68 4.81 -2.01 -1.87 114.58 124.16 1ctz h GLU 88 Ca -0.38 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 58.87 1ctz h GLU 88 Cb 1.20 -0.03 -0.06 0.00 0.63 0.00 0.00 28.75 30.49 1ctz h GLU 88 CO 0.77 0.09 -0.35 1.57 -0.73 0.00 0.00 179.01 180.36 1ctz h LYS 89 N 0.13 -0.46 -0.72 1.92 2.10 -1.98 -1.69 116.57 115.88 1ctz h LYS 89 Ca 0.11 0.03 0.07 0.00 -2.00 0.00 0.00 60.65 58.86 1ctz h LYS 89 Cb 0.11 0.10 -0.06 0.00 -0.90 0.00 0.00 32.23 31.48 1ctz h LYS 89 CO -0.15 -0.30 0.40 -0.44 -2.00 0.00 0.00 179.45 176.96 1ctz h ASP 90 N -0.47 0.59 -0.27 7.07 3.45 -1.91 -1.98 116.42 122.90 1ctz h ASP 90 Ca 0.07 0.04 0.02 0.00 0.43 0.00 0.00 57.03 57.58 1ctz h ASP 90 Cb 0.58 -0.08 -0.02 0.00 -0.56 0.00 0.00 39.33 39.25 1ctz h ASP 90 CO -0.31 0.36 0.13 0.03 -1.57 0.00 0.00 179.24 177.88 1ctz h ARG 91 N 0.72 0.26 0.29 3.56 3.08 -1.00 -1.55 114.38 119.73 1ctz h ARG 91 Ca 0.33 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.36 1ctz h ARG 91 Cb 0.25 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 1ctz h ARG 91 CO -0.21 0.17 -0.17 -0.91 -1.07 0.00 0.00 179.97 177.78 1ctz h ASN 92 N 0.27 -0.43 -0.90 7.04 2.35 -1.01 0.73 115.58 123.63 1ctz h ASN 92 Ca 0.11 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 1ctz h ASN 92 Cb 0.04 0.13 -0.04 0.00 0.05 0.00 0.00 38.32 38.49 1ctz h ASN 92 CO -0.08 -0.28 0.56 0.44 -1.65 0.00 0.00 177.43 176.42 1ctz h ASP 93 N -0.44 1.06 0.24 5.81 3.32 -1.28 0.18 116.42 125.31 1ctz h ASP 93 Ca -0.03 -0.05 0.01 0.00 0.02 0.00 0.00 57.03 56.98 1ctz h ASP 93 Cb 0.36 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.62 1ctz h ASP 93 CO 0.03 0.80 -0.32 0.25 -1.72 0.00 0.00 179.24 178.28 1ctz h LEU 94 N 1.23 -0.90 -1.69 1.55 5.85 -0.62 0.99 115.31 121.72 1ctz h LEU 94 Ca 0.33 0.09 0.04 0.00 0.84 0.00 0.00 57.88 59.18 1ctz h LEU 94 Cb -0.09 0.32 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 1ctz h LEU 94 CO -0.06 -0.44 0.27 0.40 -0.34 0.00 0.00 178.44 178.27 1ctz h ILE 95 N -0.62 1.01 -0.50 4.05 2.04 -0.57 0.45 117.51 123.36 1ctz h ILE 95 Ca 0.00 -0.13 -0.07 0.00 1.00 0.00 0.00 64.86 65.66 1ctz h ILE 95 Cb 0.60 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 1ctz h ILE 95 CO -0.12 0.07 0.03 0.74 0.00 0.00 0.00 178.15 178.87 1ctz h THR 96 N 0.39 1.26 -0.51 -0.27 2.02 0.73 0.65 112.91 117.18 1ctz h THR 96 Ca 0.17 -1.03 -0.09 0.00 0.77 0.00 0.00 66.41 66.23 1ctz h THR 96 Cb 0.19 0.95 -0.02 0.00 -1.74 0.00 0.00 68.15 67.52 1ctz h THR 96 CO -0.04 0.36 -0.04 0.22 0.37 0.00 0.00 175.52 176.39 1ctz h TYR 97 N 0.72 1.02 0.06 3.16 3.20 0.17 -2.61 116.97 122.69 1ctz h TYR 97 Ca 0.14 -0.19 -0.00 0.00 3.14 0.00 0.00 58.73 61.82 1ctz h TYR 97 Cb 0.47 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.48 1ctz h TYR 97 CO 0.04 0.96 -0.03 -0.07 -1.64 0.00 0.00 178.16 177.41 1ctz h LEU 98 N 0.79 -0.07 -0.96 2.82 3.38 0.24 0.17 115.31 121.69 1ctz h LEU 98 Ca 0.14 -0.25 0.32 0.00 0.09 0.00 0.00 57.88 58.18 1ctz h LEU 98 Cb 0.58 0.02 -0.18 0.00 0.09 0.00 0.00 40.66 41.17 1ctz h LEU 98 CO 0.03 0.22 0.21 1.17 0.09 0.00 0.00 178.44 180.16 1ctz n LYS 99 N -4.99 -0.07 0.06 1.13 4.81 0.22 -2.56 118.16 116.77 1ctz n LYS 99 Ca -0.08 1.40 -0.04 0.00 -0.87 0.00 0.00 58.31 58.72 1ctz n LYS 99 Cb 0.17 -2.33 -0.02 0.00 0.02 0.00 0.00 35.03 32.88 1ctz n LYS 99 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 1ctz h LYS 100 N 0.00 -0.23 0.00 1.64 1.79 -1.05 -3.36 116.57 115.36 1ctz h LYS 100 Ca 0.67 0.02 -0.03 0.00 -2.18 0.00 0.00 60.65 59.13 1ctz h LYS 100 Cb 1.56 0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 32.26 1ctz h LYS 100 CO -0.84 -0.15 -0.13 0.00 -1.08 0.00 0.00 179.45 177.25 1ctz h ALA 101 N -1.30 1.05 -0.66 3.86 0.00 -0.46 -2.96 119.26 118.79 1ctz h ALA 101 Ca -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1ctz h ALA 101 Cb 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1ctz h ALA 101 CO 0.04 0.16 0.00 0.25 0.00 0.00 0.00 179.25 179.70 1ctz n THR 102 N -3.31 0.90 1.66 0.00 -2.24 -1.06 -4.46 114.28 105.78 1ctz n THR 102 Ca -0.00 -0.89 0.15 0.00 -2.27 0.00 0.00 64.05 61.04 1ctz n THR 102 Cb 0.35 0.43 0.66 0.00 -2.10 0.00 0.00 70.33 69.67 1ctz n THR 102 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71