#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q38 s ARG 2 N 0.00 3.75 0.00 0.03 1.70 -1.26 -4.94 118.95 118.23 1q38 s ARG 2 Ca 0.00 -2.54 0.00 0.00 -0.47 0.00 0.00 55.73 52.72 1q38 s ARG 2 Cb 0.00 -4.55 0.00 0.00 -0.57 0.00 0.00 34.95 29.83 1q38 s ARG 2 CO 0.00 -1.36 0.00 0.41 -1.08 0.00 0.00 175.30 173.27 1q38 n GLY 3 N 3.91 1.51 0.00 3.88 0.00 -1.26 -5.07 105.19 108.16 1q38 n GLY 3 Ca 0.18 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.31 1q38 n GLY 3 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1q38 n SER 4 N 0.00 0.00 0.00 1.61 2.88 -1.26 -5.09 113.62 111.76 1q38 n SER 4 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1q38 n SER 4 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1q38 n SER 4 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1q38 n ASN 5 N -1.19 -2.32 -4.62 -3.46 3.02 -1.26 -4.46 115.26 100.97 1q38 n ASN 5 Ca 0.00 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.12 1q38 n ASN 5 Cb 0.00 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.14 1q38 n ASN 5 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1q38 s ALA 6 N -1.80 3.06 0.48 5.41 0.00 -1.26 -4.83 121.76 122.82 1q38 s ALA 6 Ca 0.00 0.95 0.34 0.00 0.00 0.00 0.00 51.96 53.25 1q38 s ALA 6 Cb 0.00 -3.98 1.83 0.00 0.00 0.00 0.00 23.12 20.97 1q38 s ALA 6 CO 0.00 -2.32 2.02 -1.35 0.00 0.00 0.00 175.76 174.12 1q38 h PRO 7 N 13.22 0.00 -4.39 0.00 0.11 -2.01 -3.34 132.00 135.59 1q38 h PRO 7 Ca -0.44 0.00 -0.70 0.00 0.11 0.00 0.00 66.00 64.97 1q38 h PRO 7 Cb 1.23 0.00 -0.34 0.00 0.11 0.00 0.00 31.00 32.01 1q38 h PRO 7 CO 0.96 0.00 -0.51 -1.14 -0.21 0.00 0.00 178.00 177.10 1q38 s GLN 8 N -3.97 2.12 0.74 1.05 0.74 -1.26 -5.10 119.66 113.98 1q38 s GLN 8 Ca -0.04 -1.87 -0.11 0.00 0.05 0.00 0.00 55.36 53.39 1q38 s GLN 8 Cb 0.10 -3.65 0.03 0.00 1.10 0.00 0.00 33.01 30.59 1q38 s GLN 8 CO 0.31 -1.10 1.08 -1.25 -0.55 0.00 0.00 175.29 173.78 1q38 s PRO 9 N 1.08 2.57 -1.18 1.67 0.04 -1.26 -4.97 135.00 132.96 1q38 s PRO 9 Ca 0.09 0.73 -0.15 0.00 0.04 0.00 0.00 61.00 61.71 1q38 s PRO 9 Cb -0.23 -1.97 0.15 0.00 0.04 0.00 0.00 34.50 32.49 1q38 s PRO 9 CO -0.04 -1.30 1.44 -1.54 0.04 0.00 0.00 177.00 175.60 1q38 s SER 10 N -3.94 6.97 0.83 6.66 1.04 -1.26 -5.01 113.70 118.99 1q38 s SER 10 Ca 0.59 -2.75 -0.12 0.00 0.48 0.00 0.00 55.95 54.15 1q38 s SER 10 Cb -0.14 -2.43 0.09 0.00 0.10 0.00 0.00 66.02 63.64 1q38 s SER 10 CO 0.54 -0.87 1.10 -1.38 0.98 0.00 0.00 173.24 173.62 1q38 s HIS 11 N 2.20 2.71 0.32 5.02 -3.43 -1.26 -5.05 115.29 115.80 1q38 s HIS 11 Ca 0.43 1.10 -0.10 0.00 -0.80 0.00 0.00 55.06 55.69 1q38 s HIS 11 Cb -0.02 -3.18 -0.07 0.00 -1.43 0.00 0.00 32.58 27.88 1q38 s HIS 11 CO -0.00 -1.96 0.66 -1.50 -2.00 0.00 0.00 174.74 169.94 1q38 s ILE 12 N -3.16 4.84 0.23 -5.38 1.10 -1.26 -4.90 121.20 112.68 1q38 s ILE 12 Ca 0.62 0.55 -0.07 0.00 -0.51 0.00 0.00 60.65 61.23 1q38 s ILE 12 Cb -0.15 -3.68 0.18 0.00 0.15 0.00 0.00 42.46 38.97 1q38 s ILE 12 CO 0.54 -0.29 1.73 -1.28 -2.11 0.00 0.00 174.94 173.53 1q38 h SER 13 N 1.89 0.22 -2.99 4.50 0.87 -1.95 -2.29 113.55 113.79 1q38 h SER 13 Ca -0.47 0.10 0.16 0.00 -1.23 0.00 0.00 61.79 60.34 1q38 h SER 13 Cb 1.18 0.09 -0.28 0.00 -0.44 0.00 0.00 62.40 62.95 1q38 h SER 13 CO 0.66 0.10 0.75 -1.59 -0.53 0.00 0.00 176.83 176.22 1q38 s LYS 14 N -6.06 0.25 0.20 2.24 -2.85 -0.97 -4.53 119.74 108.02 1q38 s LYS 14 Ca -0.13 0.18 0.04 0.00 -1.00 0.00 0.00 55.97 55.07 1q38 s LYS 14 Cb 0.19 0.12 -0.03 0.00 -2.06 0.00 0.00 37.83 36.05 1q38 s LYS 14 CO 0.75 -0.06 0.26 0.71 0.10 0.00 0.00 175.35 177.12 1q38 s TYR 15 N -0.42 3.34 0.07 1.78 2.02 0.27 -0.13 117.35 124.29 1q38 s TYR 15 Ca 0.05 0.01 0.07 0.00 -0.37 0.00 0.00 57.07 56.83 1q38 s TYR 15 Cb -0.03 -1.56 -0.04 0.00 -0.40 0.00 0.00 41.96 39.93 1q38 s TYR 15 CO -0.08 0.50 -0.14 -1.50 -1.57 0.00 0.00 175.55 172.75 1q38 s ILE 16 N -1.88 3.07 -0.22 2.71 -1.16 0.21 -1.03 121.20 122.90 1q38 s ILE 16 Ca 0.33 -1.25 -0.00 0.00 -0.51 0.00 0.00 60.65 59.22 1q38 s ILE 16 Cb -0.10 -2.37 0.06 0.00 0.61 0.00 0.00 42.46 40.66 1q38 s ILE 16 CO 0.27 0.22 -0.03 -0.22 -2.81 0.00 0.00 174.94 172.36 1q38 s LEU 17 N -1.85 2.14 -0.12 8.50 2.96 0.76 -1.84 118.68 129.24 1q38 s LEU 17 Ca 0.18 -1.05 0.02 0.00 -0.22 0.00 0.00 54.13 53.06 1q38 s LEU 17 Cb -0.11 -1.01 0.01 0.00 0.50 0.00 0.00 46.19 45.58 1q38 s LEU 17 CO 0.09 -0.25 -0.19 -0.13 -1.32 0.00 0.00 176.35 174.55 1q38 s ARG 18 N 1.53 2.66 -0.03 1.98 0.52 -0.41 -1.05 118.95 124.15 1q38 s ARG 18 Ca -0.04 -0.72 -0.29 0.00 -0.52 0.00 0.00 55.73 54.16 1q38 s ARG 18 Cb -0.18 -2.17 0.09 0.00 0.52 0.00 0.00 34.95 33.20 1q38 s ARG 18 CO -0.07 -0.02 0.76 1.67 0.02 0.00 0.00 175.30 177.66 1q38 s TRP 19 N 0.85 -0.53 0.19 -0.53 -2.14 -1.07 0.13 118.94 115.85 1q38 s TRP 19 Ca -0.08 0.74 -0.22 0.00 2.66 0.00 0.00 56.10 59.20 1q38 s TRP 19 Cb -0.15 0.47 0.06 0.00 -3.10 0.00 0.00 33.47 30.74 1q38 s TRP 19 CO -0.01 -0.59 0.63 -0.98 -2.66 0.00 0.00 176.95 173.34 1q38 s ARG 20 N -1.93 1.42 0.04 3.25 3.03 0.16 -1.57 118.95 123.35 1q38 s ARG 20 Ca -0.04 -0.61 -0.33 0.00 2.03 0.00 0.00 55.73 56.77 1q38 s ARG 20 Cb -0.00 0.59 -0.12 0.00 -1.03 0.00 0.00 34.95 34.39 1q38 s ARG 20 CO 0.01 -0.63 1.80 -0.35 -1.13 0.00 0.00 175.30 175.00 1q38 n PRO 21 N -0.40 2.39 -0.11 3.89 -0.04 -1.26 0.47 135.00 139.94 1q38 n PRO 21 Ca -0.13 0.87 -0.11 0.00 -0.04 0.00 0.00 63.50 64.08 1q38 n PRO 21 Cb 0.63 -2.72 -0.03 0.00 -0.04 0.00 0.00 33.50 31.34 1q38 n PRO 21 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1q38 h LYS 22 N 8.30 0.62 0.09 0.54 3.64 -1.82 0.34 116.57 128.28 1q38 h LYS 22 Ca -0.47 -0.24 -0.34 0.00 -1.27 0.00 0.00 60.65 58.34 1q38 h LYS 22 Cb 1.25 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 33.01 1q38 h LYS 22 CO 0.93 0.80 -1.87 -0.91 -2.27 0.00 0.00 179.45 176.13 1q38 h ASN 23 N 0.40 0.29 1.36 4.20 4.21 -1.91 -3.36 115.58 120.77 1q38 h ASN 23 Ca 0.08 -0.63 0.00 0.00 1.21 0.00 0.00 56.30 56.96 1q38 h ASN 23 Cb 0.56 -0.09 0.00 0.00 -1.12 0.00 0.00 38.32 37.67 1q38 h ASN 23 CO 0.03 1.56 -0.46 0.28 -1.29 0.00 0.00 177.43 177.55 1q38 h SER 24 N 0.05 0.00 -4.77 5.81 0.02 -1.87 -3.49 113.55 109.30 1q38 h SER 24 Ca -0.37 -0.05 -0.07 0.00 -0.84 0.00 0.00 61.79 60.47 1q38 h SER 24 Cb 2.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.57 1q38 h SER 24 CO 0.09 0.02 -0.72 0.55 -1.14 0.00 0.00 176.83 175.64 1q38 n VAL 25 N -2.63 -1.67 0.00 2.27 3.14 0.12 -4.96 118.33 114.60 1q38 n VAL 25 Ca 0.03 0.27 0.00 0.00 -2.96 0.00 0.00 64.34 61.68 1q38 n VAL 25 Cb 0.50 -2.13 0.00 0.00 -1.06 0.00 0.00 33.84 31.16 1q38 n VAL 25 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1q38 n GLY 26 N 0.75 0.59 3.42 7.55 0.00 -1.26 -4.98 105.19 111.27 1q38 n GLY 26 Ca -0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 1q38 n GLY 26 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1q38 s ARG 27 N 1.68 1.51 0.51 1.61 3.03 -1.26 -5.01 118.95 121.02 1q38 s ARG 27 Ca 0.00 -1.46 -0.19 0.00 2.03 0.00 0.00 55.73 56.11 1q38 s ARG 27 Cb 0.00 -1.88 -0.08 0.00 -1.03 0.00 0.00 34.95 31.96 1q38 s ARG 27 CO 0.00 0.42 1.04 -1.58 -1.13 0.00 0.00 175.30 174.05 1q38 s TRP 28 N -1.48 3.00 -0.01 5.89 0.52 -1.26 -4.46 118.94 121.14 1q38 s TRP 28 Ca 0.19 1.56 0.07 0.00 0.02 0.00 0.00 56.10 57.94 1q38 s TRP 28 Cb -0.09 -3.06 -0.02 0.00 -1.15 0.00 0.00 33.47 29.16 1q38 s TRP 28 CO 0.09 -0.89 -0.24 0.15 0.02 0.00 0.00 176.95 176.08 1q38 s LYS 29 N -3.40 1.89 -0.10 4.98 -0.14 -0.61 -4.90 119.74 117.45 1q38 s LYS 29 Ca 0.67 -0.86 0.03 0.00 -1.36 0.00 0.00 55.97 54.44 1q38 s LYS 29 Cb -0.16 -1.85 0.01 0.00 -1.68 0.00 0.00 37.83 34.15 1q38 s LYS 29 CO 0.23 0.50 -0.21 -1.21 -0.76 0.00 0.00 175.35 173.91 1q38 s GLU 30 N -0.62 2.70 -0.12 1.68 8.01 -1.21 -2.58 118.70 126.56 1q38 s GLU 30 Ca 0.09 -0.75 -0.04 0.00 0.01 0.00 0.00 54.97 54.28 1q38 s GLU 30 Cb -0.09 -2.10 0.05 0.00 -4.31 0.00 0.00 34.13 27.68 1q38 s GLU 30 CO -0.01 0.10 0.12 0.00 0.01 0.00 0.00 175.26 175.48 1q38 s ALA 31 N 0.53 0.12 -0.30 5.21 0.00 -0.22 -4.92 121.76 122.18 1q38 s ALA 31 Ca -0.15 0.14 -0.14 0.00 0.00 0.00 0.00 51.96 51.81 1q38 s ALA 31 Cb -0.17 -0.90 -0.03 0.00 0.00 0.00 0.00 23.12 22.02 1q38 s ALA 31 CO 0.05 -0.83 0.32 0.99 0.00 0.00 0.00 175.76 176.30 1q38 s THR 32 N 2.22 5.21 -0.19 0.00 2.01 -1.26 -0.17 115.64 123.46 1q38 s THR 32 Ca 0.04 0.26 -0.01 0.00 0.31 0.00 0.00 61.69 62.29 1q38 s THR 32 Cb -0.14 -3.70 0.05 0.00 0.01 0.00 0.00 72.50 68.72 1q38 s THR 32 CO -0.07 0.09 -0.03 0.27 -0.69 0.00 0.00 174.62 174.19 1q38 s ILE 33 N 1.97 1.04 1.12 1.82 -0.00 -0.20 -4.88 121.20 122.06 1q38 s ILE 33 Ca 0.12 -0.77 -0.17 0.00 -0.00 0.00 0.00 60.65 59.83 1q38 s ILE 33 Cb -0.16 -1.34 0.18 0.00 -0.00 0.00 0.00 42.46 41.13 1q38 s ILE 33 CO 0.11 -0.04 0.29 -2.65 -0.00 0.00 0.00 174.94 172.65 1q38 n PRO 34 N 4.87 -2.40 -1.51 0.37 -0.02 -1.26 -0.56 135.00 134.48 1q38 n PRO 34 Ca -0.11 -0.70 -0.30 0.00 -2.02 0.00 0.00 63.50 60.37 1q38 n PRO 34 Cb 0.46 -1.62 -0.17 0.00 -0.02 0.00 0.00 33.50 32.15 1q38 n PRO 34 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1q38 n GLY 35 N 2.20 -0.41 2.32 -1.23 0.00 -0.86 -3.43 105.19 103.77 1q38 n GLY 35 Ca 0.05 0.55 -0.04 0.00 0.00 0.00 0.00 46.02 46.57 1q38 n GLY 35 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1q38 n HIS 36 N 9.44 -0.30 0.16 1.61 1.44 -1.26 -4.79 115.22 121.52 1q38 n HIS 36 Ca 0.63 0.13 0.01 0.00 -2.01 0.00 0.00 57.72 56.47 1q38 n HIS 36 Cb 0.15 -0.34 0.28 0.00 0.12 0.00 0.00 29.99 30.20 1q38 n HIS 36 CO 0.00 0.00 0.00 1.37 -2.81 0.00 0.00 176.34 174.90 1q38 h LEU 37 N 0.68 0.03 0.00 2.39 8.10 -1.90 -3.48 115.31 121.13 1q38 h LEU 37 Ca -0.09 -0.01 0.00 0.00 0.11 0.00 0.00 57.88 57.89 1q38 h LEU 37 Cb 0.19 -0.01 0.00 0.00 -0.44 0.00 0.00 40.66 40.41 1q38 h LEU 37 CO 0.05 0.48 0.00 -0.46 -4.11 0.00 0.00 178.44 174.40 1q38 n ASN 38 N -3.99 0.00 -4.48 0.17 6.94 -1.26 -5.11 115.26 107.52 1q38 n ASN 38 Ca -0.02 -0.34 -0.43 0.00 -0.02 0.00 0.00 54.58 53.77 1q38 n ASN 38 Cb 0.48 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 37.85 1q38 n ASN 38 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 1q38 s SER 39 N 0.98 6.28 -0.26 0.53 0.01 -1.26 -5.02 113.70 114.96 1q38 s SER 39 Ca 0.00 -0.65 -0.00 0.00 1.31 0.00 0.00 55.95 56.61 1q38 s SER 39 Cb 0.00 -2.35 0.04 0.00 0.21 0.00 0.00 66.02 63.92 1q38 s SER 39 CO 0.00 -1.03 -0.07 -0.47 0.41 0.00 0.00 173.24 172.08 1q38 s TYR 40 N 3.19 3.14 0.05 2.43 5.04 -1.26 -5.10 117.35 124.83 1q38 s TYR 40 Ca 0.22 -1.83 0.06 0.00 -2.44 0.00 0.00 57.07 53.07 1q38 s TYR 40 Cb -0.16 -2.02 -0.02 0.00 0.35 0.00 0.00 41.96 40.10 1q38 s TYR 40 CO 0.15 -0.79 -0.16 0.95 -1.34 0.00 0.00 175.55 174.36 1q38 s THR 41 N 1.25 1.27 -0.05 4.34 -4.23 -1.26 -5.12 115.64 111.83 1q38 s THR 41 Ca -0.03 -1.13 -0.28 0.00 -1.18 0.00 0.00 61.69 59.07 1q38 s THR 41 Cb -0.18 -1.15 -0.03 0.00 1.34 0.00 0.00 72.50 72.49 1q38 s THR 41 CO -0.05 0.00 0.91 -0.63 -0.54 0.00 0.00 174.62 174.32 1q38 s ILE 42 N -0.93 4.89 0.00 2.99 1.01 -1.26 -5.04 121.20 122.87 1q38 s ILE 42 Ca 0.03 1.89 0.00 0.00 0.00 0.00 0.00 60.65 62.56 1q38 s ILE 42 Cb -0.09 -4.24 0.00 0.00 0.01 0.00 0.00 42.46 38.14 1q38 s ILE 42 CO 0.02 0.14 0.00 0.29 0.00 0.00 0.00 174.94 175.38 1q38 n LYS 43 N 4.21 2.46 -1.77 2.79 5.02 -1.26 -4.84 118.16 124.77 1q38 n LYS 43 Ca 0.05 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.25 1q38 n LYS 43 Cb 0.50 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.49 1q38 n LYS 43 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1q38 n GLY 44 N 4.12 0.48 3.18 0.72 0.00 -1.26 -5.01 105.19 107.42 1q38 n GLY 44 Ca 0.00 -0.55 -0.26 0.00 0.00 0.00 0.00 46.02 45.21 1q38 n GLY 44 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1q38 n LEU 45 N -1.21 0.00 -3.95 0.99 4.77 -1.26 -4.70 117.00 111.64 1q38 n LEU 45 Ca -0.10 -2.87 -0.14 0.00 -0.03 0.00 0.00 56.01 52.87 1q38 n LEU 45 Cb 0.46 0.63 -0.14 0.00 -2.33 0.00 0.00 43.42 42.04 1q38 n LEU 45 CO 0.13 -0.42 -0.39 -0.75 -1.33 0.00 0.00 177.39 174.63 1q38 s LYS 46 N -3.54 0.30 -0.45 3.23 2.36 0.16 -4.74 119.74 117.06 1q38 s LYS 46 Ca 0.09 -0.24 -0.27 0.00 -2.55 0.00 0.00 55.97 53.01 1q38 s LYS 46 Cb 0.00 -0.23 -0.03 0.00 -1.05 0.00 0.00 37.83 36.52 1q38 s LYS 46 CO 0.07 0.06 2.00 -1.25 1.55 0.00 0.00 175.35 177.78 1q38 s PRO 47 N -0.37 2.80 0.00 4.03 0.04 -1.26 -0.14 135.00 140.09 1q38 s PRO 47 Ca -0.02 1.22 0.00 0.00 0.04 0.00 0.00 61.00 62.24 1q38 s PRO 47 Cb -0.03 -4.37 0.00 0.00 0.04 0.00 0.00 34.50 30.14 1q38 s PRO 47 CO -0.00 -2.50 0.00 0.41 0.04 0.00 0.00 177.00 174.95 1q38 n GLY 48 N 5.68 0.00 3.41 0.56 0.00 -1.26 -4.99 105.19 108.59 1q38 n GLY 48 Ca 0.26 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.96 1q38 n GLY 48 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1q38 s VAL 49 N 0.00 2.65 0.39 1.61 1.01 -1.25 -4.97 120.40 119.84 1q38 s VAL 49 Ca 0.00 -0.88 -0.24 0.00 0.00 0.00 0.00 61.98 60.86 1q38 s VAL 49 Cb 0.00 -2.00 -0.09 0.00 0.00 0.00 0.00 36.38 34.29 1q38 s VAL 49 CO 0.00 0.59 1.02 -0.69 0.00 0.00 0.00 175.10 176.01 1q38 s VAL 50 N -0.64 3.88 -0.28 2.92 1.01 -1.26 -0.54 120.40 125.49 1q38 s VAL 50 Ca 0.10 1.42 -0.02 0.00 0.00 0.00 0.00 61.98 63.48 1q38 s VAL 50 Cb -0.11 -3.72 0.12 0.00 0.00 0.00 0.00 36.38 32.67 1q38 s VAL 50 CO 0.00 -0.01 0.22 -0.31 0.00 0.00 0.00 175.10 175.00 1q38 s TYR 51 N -1.72 -0.12 -0.05 5.22 2.02 0.43 -2.59 117.35 120.54 1q38 s TYR 51 Ca 0.57 -0.43 -0.30 0.00 -0.37 0.00 0.00 57.07 56.55 1q38 s TYR 51 Cb -0.20 -0.63 -0.03 0.00 -0.40 0.00 0.00 41.96 40.70 1q38 s TYR 51 CO 0.25 -0.85 1.10 -1.83 -1.57 0.00 0.00 175.55 172.65 1q38 s GLU 52 N 2.25 4.42 0.12 -0.62 -1.05 0.18 -0.66 118.70 123.33 1q38 s GLU 52 Ca 0.09 1.55 0.08 0.00 -0.15 0.00 0.00 54.97 56.53 1q38 s GLU 52 Cb -0.15 -3.51 -0.04 0.00 -0.44 0.00 0.00 34.13 30.00 1q38 s GLU 52 CO -0.32 -0.31 -0.18 0.20 0.95 0.00 0.00 175.26 175.60 1q38 s GLY 53 N 1.21 1.21 0.00 -3.83 0.00 0.28 -0.66 107.32 105.54 1q38 s GLY 53 Ca 0.53 -1.29 0.02 0.00 0.00 0.00 0.00 44.72 43.99 1q38 s GLY 53 CO 0.23 -1.31 -0.07 1.20 0.00 0.00 0.00 173.10 173.14 1q38 s GLN 54 N -2.23 0.56 -0.29 2.90 -0.21 0.35 -1.45 119.66 119.30 1q38 s GLN 54 Ca 0.08 -0.33 0.03 0.00 0.02 0.00 0.00 55.36 55.16 1q38 s GLN 54 Cb -0.08 -0.51 0.08 0.00 1.00 0.00 0.00 33.01 33.49 1q38 s GLN 54 CO 0.04 0.14 -0.04 -0.51 -2.12 0.00 0.00 175.29 172.80 1q38 s LEU 55 N -0.39 3.71 -0.21 2.90 1.43 -0.39 -1.29 118.68 124.43 1q38 s LEU 55 Ca 0.01 -1.63 -0.01 0.00 -1.03 0.00 0.00 54.13 51.46 1q38 s LEU 55 Cb -0.04 -1.49 0.01 0.00 0.03 0.00 0.00 46.19 44.71 1q38 s LEU 55 CO -0.00 -0.27 -0.11 -0.63 0.23 0.00 0.00 176.35 175.57 1q38 s ILE 56 N 1.10 2.72 0.06 -0.59 1.09 -0.76 -0.56 121.20 124.26 1q38 s ILE 56 Ca -0.01 -0.84 -0.28 0.00 -1.10 0.00 0.00 60.65 58.42 1q38 s ILE 56 Cb -0.19 -2.26 -0.05 0.00 -1.06 0.00 0.00 42.46 38.89 1q38 s ILE 56 CO -0.07 0.39 0.88 -0.55 -0.10 0.00 0.00 174.94 175.49 1q38 s SER 57 N 1.36 7.35 -0.08 3.58 0.15 0.34 0.67 113.70 127.07 1q38 s SER 57 Ca 0.03 1.62 0.05 0.00 0.70 0.00 0.00 55.95 58.35 1q38 s SER 57 Cb -0.15 -2.53 -0.01 0.00 -1.71 0.00 0.00 66.02 61.62 1q38 s SER 57 CO -0.07 -0.07 -0.23 -0.63 1.20 0.00 0.00 173.24 173.44 1q38 s ILE 58 N 0.18 2.18 0.29 6.45 1.01 0.82 0.32 121.20 132.45 1q38 s ILE 58 Ca 0.44 -1.01 0.01 0.00 0.00 0.00 0.00 60.65 60.09 1q38 s ILE 58 Cb -0.22 -1.81 0.01 0.00 0.01 0.00 0.00 42.46 40.45 1q38 s ILE 58 CO 0.26 0.56 0.07 0.00 0.00 0.00 0.00 174.94 175.83 1q38 n GLN 59 N 3.15 1.23 0.11 2.79 1.13 -1.26 -2.30 117.38 122.24 1q38 n GLN 59 Ca -0.18 -2.05 0.09 0.00 -1.94 0.00 0.00 57.00 52.92 1q38 n GLN 59 Cb 0.52 0.46 0.45 0.00 0.11 0.00 0.00 30.24 31.78 1q38 n GLN 59 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1q38 n GLN 60 N -0.86 0.12 0.00 -1.09 1.13 -1.26 -0.80 117.38 114.63 1q38 n GLN 60 Ca -0.09 0.52 0.09 0.00 -1.94 0.00 0.00 57.00 55.58 1q38 n GLN 60 Cb 0.36 -1.83 -0.01 0.00 0.11 0.00 0.00 30.24 28.88 1q38 n GLN 60 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1q38 n TYR 61 N -2.07 0.00 -0.47 1.08 4.02 -1.26 -5.09 117.16 113.36 1q38 n TYR 61 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1q38 n TYR 61 Cb 0.10 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.42 1q38 n TYR 61 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1q38 n GLY 62 N 1.28 -3.36 2.40 2.72 0.00 0.02 -5.03 105.19 103.22 1q38 n GLY 62 Ca 0.08 -1.08 -0.02 0.00 0.00 0.00 0.00 46.02 45.00 1q38 n GLY 62 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1q38 n HIS 63 N -1.30 -4.71 0.03 1.61 8.25 -1.26 -4.68 115.22 113.16 1q38 n HIS 63 Ca 0.00 2.79 0.00 0.00 -0.26 0.00 0.00 57.72 60.25 1q38 n HIS 63 Cb 0.05 -3.85 0.00 0.00 1.12 0.00 0.00 29.99 27.31 1q38 n HIS 63 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1q38 n GLN 64 N 1.78 0.00 -4.36 -0.41 1.13 0.15 -4.72 117.38 110.95 1q38 n GLN 64 Ca -0.11 0.00 -0.21 0.00 -1.94 0.00 0.00 57.00 54.74 1q38 n GLN 64 Cb 0.17 -0.07 -0.13 0.00 0.11 0.00 0.00 30.24 30.32 1q38 n GLN 64 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 1q38 s GLU 65 N -1.28 1.00 -0.05 -1.09 -6.30 -0.69 -4.88 118.70 105.41 1q38 s GLU 65 Ca 0.00 -0.85 0.00 0.00 -2.50 0.00 0.00 54.97 51.62 1q38 s GLU 65 Cb 0.00 -1.04 0.03 0.00 0.00 0.00 0.00 34.13 33.11 1q38 s GLU 65 CO 0.00 0.25 -0.02 0.54 0.02 0.00 0.00 175.26 176.06 1q38 s VAL 66 N -0.94 0.37 -0.04 3.70 0.11 -1.26 0.13 120.40 122.48 1q38 s VAL 66 Ca 0.02 0.02 0.02 0.00 -2.93 0.00 0.00 61.98 59.11 1q38 s VAL 66 Cb -0.09 -0.47 0.01 0.00 -1.53 0.00 0.00 36.38 34.31 1q38 s VAL 66 CO 0.02 0.21 -0.07 -0.89 -3.33 0.00 0.00 175.10 171.04 1q38 s THR 67 N 1.30 0.67 -0.25 5.04 2.01 0.27 -4.98 115.64 119.71 1q38 s THR 67 Ca -0.05 -0.25 -0.05 0.00 0.31 0.00 0.00 61.69 61.65 1q38 s THR 67 Cb -0.13 -0.64 0.00 0.00 0.01 0.00 0.00 72.50 71.73 1q38 s THR 67 CO -0.02 0.24 0.01 -0.13 -0.69 0.00 0.00 174.62 174.03 1q38 s ARG 68 N 0.58 3.23 -0.08 4.92 1.81 -1.26 -1.26 118.95 126.88 1q38 s ARG 68 Ca -0.09 -0.74 -0.04 0.00 -1.72 0.00 0.00 55.73 53.14 1q38 s ARG 68 Cb -0.12 -3.17 0.04 0.00 -0.45 0.00 0.00 34.95 31.25 1q38 s ARG 68 CO 0.01 -0.31 0.18 -0.59 -0.68 0.00 0.00 175.30 173.91 1q38 s PHE 69 N 1.48 -0.23 -0.26 -0.53 -0.71 -0.53 -5.05 117.98 112.16 1q38 s PHE 69 Ca 0.04 0.62 -0.10 0.00 -1.04 0.00 0.00 56.93 56.45 1q38 s PHE 69 Cb -0.16 -0.09 -0.05 0.00 -1.21 0.00 0.00 43.02 41.52 1q38 s PHE 69 CO -0.01 -0.22 0.16 0.16 -1.34 0.00 0.00 175.22 173.97 1q38 s ASP 70 N 1.55 5.94 0.29 1.98 -4.77 -1.26 -0.55 116.67 119.85 1q38 s ASP 70 Ca -0.06 0.01 0.09 0.00 -3.30 0.00 0.00 52.55 49.30 1q38 s ASP 70 Cb -0.11 -2.09 -0.06 0.00 -1.09 0.00 0.00 42.92 39.57 1q38 s ASP 70 CO -0.07 0.00 -0.12 0.72 0.70 0.00 0.00 175.17 176.40 1q38 s PHE 71 N 1.45 2.13 -0.05 2.11 -0.12 0.16 -4.94 117.98 118.72 1q38 s PHE 71 Ca 0.07 -0.53 0.03 0.00 -0.05 0.00 0.00 56.93 56.45 1q38 s PHE 71 Cb -0.15 -1.11 0.00 0.00 -0.63 0.00 0.00 43.02 41.13 1q38 s PHE 71 CO 0.08 0.49 -0.14 0.95 -0.05 0.00 0.00 175.22 176.55 1q38 s THR 72 N -2.76 1.18 0.00 -4.49 -4.23 -1.26 0.16 115.64 104.24 1q38 s THR 72 Ca 0.29 -0.55 0.00 0.00 -1.18 0.00 0.00 61.69 60.25 1q38 s THR 72 Cb 0.00 -1.04 0.00 0.00 1.34 0.00 0.00 72.50 72.80 1q38 s THR 72 CO 0.13 0.35 0.00 0.35 -0.54 0.00 0.00 174.62 174.92 1q38 n THR 73 N 3.42 0.00 -2.38 3.99 -2.24 0.30 -4.70 114.28 112.67 1q38 n THR 73 Ca -0.20 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 1q38 n THR 73 Cb 0.53 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 1q38 n THR 73 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1q38 n THR 74 N 0.00 0.00 -0.91 4.28 -2.24 0.80 -4.36 114.28 111.85 1q38 n THR 74 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1q38 n THR 74 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1q38 n THR 74 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1q38 n SER 75 N -0.36 -1.22 -0.10 3.42 2.88 -1.26 -0.67 113.62 116.31 1q38 n SER 75 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1q38 n SER 75 Cb 0.00 -0.61 0.00 0.00 -0.75 0.00 0.00 64.21 62.85 1q38 n SER 75 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1q38 n THR 76 N 0.13 0.00 0.00 2.46 5.66 -1.26 -4.46 114.28 116.81 1q38 n THR 76 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1q38 n THR 76 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1q38 n THR 76 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1q38 n SER 77 N 0.00 0.00 -3.94 1.09 7.64 -1.26 -5.00 113.62 112.14 1q38 n SER 77 Ca 0.00 0.00 -0.25 0.00 1.01 0.00 0.00 58.87 59.63 1q38 n SER 77 Cb 0.20 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.32 1q38 n SER 77 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1q38 n THR 78 N 0.00 -0.76 -1.30 0.44 5.66 -1.26 -4.82 114.28 112.25 1q38 n THR 78 Ca 0.00 -0.38 -0.25 0.00 -3.05 0.00 0.00 64.05 60.37 1q38 n THR 78 Cb 0.00 -0.78 0.15 0.00 -1.55 0.00 0.00 70.33 68.15 1q38 n THR 78 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 1q38 n PRO 79 N -3.83 2.37 -4.67 1.09 -0.04 -1.26 -4.97 135.00 123.69 1q38 n PRO 79 Ca -0.25 -3.13 -0.30 0.00 -0.04 0.00 0.00 63.50 59.78 1q38 n PRO 79 Cb 0.55 -2.18 -0.08 0.00 -0.04 0.00 0.00 33.50 31.75 1q38 n PRO 79 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1q38 s GLY 80 N -1.60 2.88 0.03 0.55 0.00 -1.26 -5.08 107.32 102.83 1q38 s GLY 80 Ca 0.58 -0.69 0.00 0.00 0.00 0.00 0.00 44.72 44.61 1q38 s GLY 80 CO 0.07 -2.05 0.00 -1.26 0.00 0.00 0.00 173.10 169.85 1q38 n SER 81 N -1.30 -0.25 -4.75 1.64 2.88 -1.26 -5.13 113.62 105.44 1q38 n SER 81 Ca -0.14 0.06 -0.36 0.00 -1.33 0.00 0.00 58.87 57.10 1q38 n SER 81 Cb 0.66 0.67 -0.08 0.00 -0.75 0.00 0.00 64.21 64.71 1q38 n SER 81 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1q38 s ARG 82 N -1.06 3.70 -0.23 -1.46 0.52 -1.26 -4.77 118.95 114.39 1q38 s ARG 82 Ca 0.00 -0.24 -0.01 0.00 -0.52 0.00 0.00 55.73 54.95 1q38 s ARG 82 Cb 0.00 -3.20 0.01 0.00 0.52 0.00 0.00 34.95 32.28 1q38 s ARG 82 CO 0.00 0.52 0.03 0.45 0.02 0.00 0.00 175.30 176.32 1q38 n SER 83 N 2.78 -6.92 -4.68 0.23 2.88 -1.26 -4.93 113.62 101.72 1q38 n SER 83 Ca -0.18 1.23 -0.32 0.00 -1.33 0.00 0.00 58.87 58.27 1q38 n SER 83 Cb 0.53 -4.54 0.16 0.00 -0.75 0.00 0.00 64.21 59.61 1q38 n SER 83 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1q38 s HIS 84 N -1.37 1.66 0.46 0.66 3.76 -1.26 -5.03 115.29 114.17 1q38 s HIS 84 Ca -0.03 1.77 0.06 0.00 -0.15 0.00 0.00 55.06 56.70 1q38 s HIS 84 Cb 0.00 -3.39 0.02 0.00 1.11 0.00 0.00 32.58 30.33 1q38 s HIS 84 CO 0.62 -2.83 0.64 -3.38 -0.85 0.00 0.00 174.74 168.94 1q38 s HIS 85 N -2.52 2.80 -0.71 1.40 -3.43 -1.26 -4.74 115.29 106.83 1q38 s HIS 85 Ca 0.68 -0.29 -0.03 0.00 -0.80 0.00 0.00 55.06 54.63 1q38 s HIS 85 Cb -0.24 -2.50 0.00 0.00 -1.43 0.00 0.00 32.58 28.41 1q38 s HIS 85 CO 0.56 -0.58 0.68 1.58 -2.00 0.00 0.00 174.74 174.98 1q38 n HIS 86 N -2.01 -2.94 0.29 0.38 -0.00 -1.26 -4.87 115.22 104.81 1q38 n HIS 86 Ca 0.08 1.14 -0.03 0.00 0.46 0.00 0.00 57.72 59.37 1q38 n HIS 86 Cb 0.59 -3.92 0.10 0.00 -0.12 0.00 0.00 29.99 26.64 1q38 n HIS 86 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 1q38 n HIS 87 N -1.66 0.88 0.00 1.57 -0.00 -1.26 -3.32 115.22 111.43 1q38 n HIS 87 Ca -0.02 -0.60 0.00 0.00 0.46 0.00 0.00 57.72 57.56 1q38 n HIS 87 Cb 0.52 -0.36 0.00 0.00 -0.12 0.00 0.00 29.99 30.03 1q38 n HIS 87 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1q38 n HIS 88 N 0.08 0.00 -1.91 1.57 8.25 -1.26 -5.27 115.22 116.68 1q38 n HIS 88 Ca 0.15 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.61 1q38 n HIS 88 Cb 0.74 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.85 1q38 n HIS 88 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70