#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 3.63 -0.12 2.12 0.52 -1.26 -5.10 118.95 118.74 1q38 s ARG 2 Ca 0.00 -0.03 -0.08 0.00 -0.52 0.00 0.00 55.73 55.10 1q38 s ARG 2 Cb 0.00 -3.02 0.04 0.00 0.52 0.00 0.00 34.95 32.49 1q38 s ARG 2 CO 0.00 0.60 0.29 0.20 0.02 0.00 0.00 175.30 176.41 1q38 s GLY 3 N -1.87 -0.20 -0.13 -3.53 0.00 -1.26 -5.15 107.32 95.18 1q38 s GLY 3 Ca 0.31 1.03 -0.10 0.00 0.00 0.00 0.00 44.72 45.97 1q38 s GLY 3 CO 0.19 1.14 0.19 -0.45 0.00 0.00 0.00 173.10 174.17 1q38 s SER 4 N 0.89 6.41 -0.02 1.64 0.15 -1.26 -5.01 113.70 116.50 1q38 s SER 4 Ca -0.06 0.48 -0.06 0.00 0.70 0.00 0.00 55.95 57.01 1q38 s SER 4 Cb -0.07 -2.11 -0.02 0.00 -1.71 0.00 0.00 66.02 62.11 1q38 s SER 4 CO -0.06 0.30 -0.11 0.59 1.20 0.00 0.00 173.24 175.15 1q38 n ASN 5 N 2.57 1.00 -3.39 5.45 4.13 -1.26 -5.03 115.26 118.74 1q38 n ASN 5 Ca -0.17 0.15 -0.16 0.00 1.68 0.00 0.00 54.58 56.08 1q38 n ASN 5 Cb 0.53 -0.44 -0.09 0.00 -1.54 0.00 0.00 39.78 38.24 1q38 n ASN 5 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1q38 s ALA 6 N -2.46 -0.55 -0.09 5.41 0.00 -1.26 -5.13 121.76 117.67 1q38 s ALA 6 Ca -0.09 -0.18 -0.29 0.00 0.00 0.00 0.00 51.96 51.39 1q38 s ALA 6 Cb 0.01 -1.80 -0.04 0.00 0.00 0.00 0.00 23.12 21.29 1q38 s ALA 6 CO 0.14 -1.67 1.56 -1.25 0.00 0.00 0.00 175.76 174.54 1q38 s PRO 7 N 2.39 4.15 0.06 0.00 0.04 -1.26 -5.01 135.00 135.36 1q38 s PRO 7 Ca 0.09 2.02 0.09 0.00 0.04 0.00 0.00 61.00 63.24 1q38 s PRO 7 Cb -0.14 -3.94 -0.03 0.00 0.04 0.00 0.00 34.50 30.43 1q38 s PRO 7 CO -0.31 -0.86 -0.24 1.14 0.04 0.00 0.00 177.00 176.78 1q38 s GLN 8 N 3.98 1.83 0.00 4.56 -2.07 -1.26 -5.15 119.66 121.55 1q38 s GLN 8 Ca 0.69 -1.11 0.00 0.00 -1.82 0.00 0.00 55.36 53.12 1q38 s GLN 8 Cb -0.30 -2.04 0.00 0.00 -1.09 0.00 0.00 33.01 29.58 1q38 s GLN 8 CO 0.26 0.51 0.00 -0.35 -1.32 0.00 0.00 175.29 174.39 1q38 n PRO 9 N 1.55 0.95 -1.57 9.60 -0.04 -1.26 -5.10 135.00 139.13 1q38 n PRO 9 Ca -0.17 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.21 1q38 n PRO 9 Cb 0.52 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 34.02 1q38 n PRO 9 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1q38 n SER 10 N -0.12 0.66 0.00 3.54 3.41 -1.26 -5.10 113.62 114.76 1q38 n SER 10 Ca 0.00 -1.51 0.00 0.00 -0.26 0.00 0.00 58.87 57.10 1q38 n SER 10 Cb 0.00 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 63.75 1q38 n SER 10 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1q38 n HIS 11 N -1.67 0.00 -3.95 7.33 8.25 -1.26 -4.94 115.22 118.97 1q38 n HIS 11 Ca 0.06 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.20 1q38 n HIS 11 Cb 0.22 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.28 1q38 n HIS 11 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 1q38 s ILE 12 N 0.00 5.21 0.23 1.59 2.07 -1.26 -5.00 121.20 124.04 1q38 s ILE 12 Ca 0.00 -0.35 -0.11 0.00 -1.41 0.00 0.00 60.65 58.78 1q38 s ILE 12 Cb 0.00 -3.48 0.30 0.00 0.13 0.00 0.00 42.46 39.42 1q38 s ILE 12 CO 0.00 0.24 1.61 0.28 -1.91 0.00 0.00 174.94 175.16 1q38 h SER 13 N 3.53 -0.66 -2.86 4.50 0.02 -1.92 -3.36 113.55 112.79 1q38 h SER 13 Ca -0.47 0.22 0.17 0.00 -0.84 0.00 0.00 61.79 60.87 1q38 h SER 13 Cb 1.17 0.45 -0.29 0.00 0.14 0.00 0.00 62.40 63.88 1q38 h SER 13 CO 0.70 -0.24 0.79 -1.59 -1.14 0.00 0.00 176.83 175.35 1q38 s LYS 14 N -6.23 0.20 -0.10 3.45 -2.85 -0.97 -4.83 119.74 108.41 1q38 s LYS 14 Ca -0.14 0.15 -0.00 0.00 -1.00 0.00 0.00 55.97 54.98 1q38 s LYS 14 Cb 0.22 0.10 -0.03 0.00 -2.06 0.00 0.00 37.83 36.06 1q38 s LYS 14 CO 0.75 -0.04 -0.08 -0.47 0.10 0.00 0.00 175.35 175.61 1q38 s TYR 15 N -0.38 2.91 -0.20 1.78 6.14 -0.86 -0.97 117.35 125.77 1q38 s TYR 15 Ca 0.06 -0.21 -0.02 0.00 0.64 0.00 0.00 57.07 57.54 1q38 s TYR 15 Cb -0.03 -1.79 -0.00 0.00 0.42 0.00 0.00 41.96 40.55 1q38 s TYR 15 CO -0.10 0.12 -0.09 0.42 0.64 0.00 0.00 175.55 176.54 1q38 s ILE 16 N -0.27 3.01 -0.32 3.14 1.01 -0.01 -0.96 121.20 126.81 1q38 s ILE 16 Ca 0.03 -0.62 -0.09 0.00 0.00 0.00 0.00 60.65 59.97 1q38 s ILE 16 Cb -0.13 -2.34 0.00 0.00 0.01 0.00 0.00 42.46 40.01 1q38 s ILE 16 CO 0.03 0.47 0.14 -0.22 0.00 0.00 0.00 174.94 175.35 1q38 s LEU 17 N 1.27 4.13 -0.11 2.97 2.96 -0.66 -1.31 118.68 127.93 1q38 s LEU 17 Ca 0.03 -0.63 0.03 0.00 -0.22 0.00 0.00 54.13 53.34 1q38 s LEU 17 Cb -0.14 -1.98 0.00 0.00 0.50 0.00 0.00 46.19 44.58 1q38 s LEU 17 CO -0.04 -0.22 -0.22 0.00 -1.32 0.00 0.00 176.35 174.55 1q38 s ARG 18 N 1.58 2.89 0.08 1.98 1.70 0.11 -2.20 118.95 125.09 1q38 s ARG 18 Ca 0.04 -0.82 -0.10 0.00 -0.47 0.00 0.00 55.73 54.38 1q38 s ARG 18 Cb -0.17 -2.24 0.01 0.00 -0.57 0.00 0.00 34.95 31.97 1q38 s ARG 18 CO 0.05 0.10 0.23 1.67 -1.08 0.00 0.00 175.30 176.27 1q38 s TRP 19 N 0.54 0.06 0.18 5.89 -2.14 -1.05 -0.04 118.94 122.38 1q38 s TRP 19 Ca -0.15 -0.41 -0.23 0.00 2.66 0.00 0.00 56.10 57.97 1q38 s TRP 19 Cb -0.17 0.00 0.06 0.00 -3.10 0.00 0.00 33.47 30.27 1q38 s TRP 19 CO 0.05 -0.54 0.65 -0.98 -2.66 0.00 0.00 176.95 173.46 1q38 s ARG 20 N -3.52 1.37 -0.21 3.25 1.70 -0.92 -2.05 118.95 118.57 1q38 s ARG 20 Ca 0.02 -0.58 -0.29 0.00 -0.47 0.00 0.00 55.73 54.40 1q38 s ARG 20 Cb 0.03 0.58 -0.07 0.00 -0.57 0.00 0.00 34.95 34.92 1q38 s ARG 20 CO -0.09 -0.61 2.19 -2.30 -1.08 0.00 0.00 175.30 173.41 1q38 n PRO 21 N -0.39 1.93 0.17 3.89 -0.02 -1.26 -1.32 135.00 138.00 1q38 n PRO 21 Ca -0.13 0.55 0.19 0.00 -2.02 0.00 0.00 63.50 62.09 1q38 n PRO 21 Cb 0.63 -3.09 0.80 0.00 -0.02 0.00 0.00 33.50 31.82 1q38 n PRO 21 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1q38 h LYS 22 N 14.11 0.00 0.00 -0.52 3.11 -1.39 -2.72 116.57 129.16 1q38 h LYS 22 Ca -0.40 0.00 -0.42 0.00 -2.81 0.00 0.00 60.65 57.02 1q38 h LYS 22 Cb 1.25 0.00 -0.07 0.00 -1.00 0.00 0.00 32.23 32.41 1q38 h LYS 22 CO 0.97 0.00 -2.49 -1.71 -2.81 0.00 0.00 179.45 173.41 1q38 n ASN 23 N -3.62 1.97 -4.38 4.20 4.05 -1.26 -5.01 115.26 111.22 1q38 n ASN 23 Ca 0.04 0.06 -0.29 0.00 0.45 0.00 0.00 54.58 54.83 1q38 n ASN 23 Cb 0.46 -0.58 0.15 0.00 1.23 0.00 0.00 39.78 41.05 1q38 n ASN 23 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 177.26 173.66 1q38 s SER 24 N -6.91 3.57 0.02 1.20 0.15 -1.03 -5.10 113.70 105.60 1q38 s SER 24 Ca -0.36 0.42 0.02 0.00 0.70 0.00 0.00 55.95 56.73 1q38 s SER 24 Cb 0.11 -0.61 -0.02 0.00 -1.71 0.00 0.00 66.02 63.80 1q38 s SER 24 CO 0.56 -2.46 -0.07 0.54 1.20 0.00 0.00 173.24 173.01 1q38 s VAL 25 N -3.78 0.48 0.00 4.45 0.11 -1.26 -4.62 120.40 115.78 1q38 s VAL 25 Ca 0.70 -0.71 0.00 0.00 -2.93 0.00 0.00 61.98 59.04 1q38 s VAL 25 Cb -0.06 -0.49 0.00 0.00 -1.53 0.00 0.00 36.38 34.29 1q38 s VAL 25 CO 0.52 -0.17 0.00 0.61 -3.33 0.00 0.00 175.10 172.73 1q38 n GLY 26 N 2.11 -0.79 3.21 6.54 0.00 -1.26 -5.09 105.19 109.91 1q38 n GLY 26 Ca -0.18 0.46 -0.22 0.00 0.00 0.00 0.00 46.02 46.08 1q38 n GLY 26 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1q38 s ARG 27 N 0.00 1.03 0.47 1.61 1.81 -1.26 -5.16 118.95 117.46 1q38 s ARG 27 Ca 0.00 -0.97 -0.07 0.00 -1.72 0.00 0.00 55.73 52.97 1q38 s ARG 27 Cb 0.00 -1.14 0.11 0.00 -0.45 0.00 0.00 34.95 33.47 1q38 s ARG 27 CO 0.00 0.27 0.64 0.91 -0.68 0.00 0.00 175.30 176.44 1q38 n TRP 28 N 1.46 -3.83 -3.80 -0.53 7.02 -1.26 -4.86 117.44 111.65 1q38 n TRP 28 Ca -0.19 -0.66 -0.19 0.00 -1.02 0.00 0.00 57.50 55.44 1q38 n TRP 28 Cb 0.54 -0.49 -0.17 0.00 -2.42 0.00 0.00 31.31 28.77 1q38 n TRP 28 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 1q38 s LYS 29 N -4.33 0.22 -0.05 -0.99 1.02 -0.87 -4.94 119.74 109.81 1q38 s LYS 29 Ca 0.37 0.19 0.06 0.00 0.02 0.00 0.00 55.97 56.62 1q38 s LYS 29 Cb -0.01 -0.59 -0.01 0.00 -0.52 0.00 0.00 37.83 36.69 1q38 s LYS 29 CO 0.26 -0.24 -0.25 -1.21 -0.92 0.00 0.00 175.35 172.99 1q38 s GLU 30 N 1.62 2.45 -0.01 1.68 2.02 -1.23 -2.51 118.70 122.72 1q38 s GLU 30 Ca -0.01 -0.90 0.01 0.00 0.02 0.00 0.00 54.97 54.08 1q38 s GLU 30 Cb -0.13 -2.14 0.00 0.00 0.10 0.00 0.00 34.13 31.96 1q38 s GLU 30 CO -0.03 0.43 -0.03 0.00 0.02 0.00 0.00 175.26 175.65 1q38 s ALA 31 N -0.29 0.31 -0.11 5.21 0.00 -0.93 -4.91 121.76 121.04 1q38 s ALA 31 Ca 0.00 -0.12 -0.15 0.00 0.00 0.00 0.00 51.96 51.69 1q38 s ALA 31 Cb -0.13 -0.11 -0.05 0.00 0.00 0.00 0.00 23.12 22.84 1q38 s ALA 31 CO 0.02 0.06 0.37 0.99 0.00 0.00 0.00 175.76 177.20 1q38 s THR 32 N 0.05 5.22 -0.21 0.00 2.01 -1.25 -1.65 115.64 119.80 1q38 s THR 32 Ca -0.00 0.73 -0.03 0.00 0.31 0.00 0.00 61.69 62.69 1q38 s THR 32 Cb -0.03 -3.70 0.07 0.00 0.01 0.00 0.00 72.50 68.85 1q38 s THR 32 CO -0.00 0.42 0.06 -0.63 -0.69 0.00 0.00 174.62 173.78 1q38 s ILE 33 N 0.13 0.41 -1.03 1.82 1.09 -0.13 -4.91 121.20 118.58 1q38 s ILE 33 Ca 0.21 -0.62 -0.25 0.00 -1.10 0.00 0.00 60.65 58.89 1q38 s ILE 33 Cb -0.14 -1.03 -0.13 0.00 -1.06 0.00 0.00 42.46 40.09 1q38 s ILE 33 CO 0.08 -0.34 2.08 -2.84 -0.10 0.00 0.00 174.94 173.82 1q38 s PRO 34 N 1.90 1.93 2.14 2.79 0.02 -1.26 -2.02 135.00 140.49 1q38 s PRO 34 Ca 0.02 -0.47 0.00 0.00 0.02 0.00 0.00 61.00 60.57 1q38 s PRO 34 Cb -0.17 -5.04 0.00 0.00 0.02 0.00 0.00 34.50 29.31 1q38 s PRO 34 CO -0.13 -4.44 0.00 0.41 -0.33 0.00 0.00 177.00 172.51 1q38 n GLY 35 N 6.30 1.58 3.03 0.52 0.00 -1.26 -4.24 105.19 111.12 1q38 n GLY 35 Ca 0.43 0.20 0.03 0.00 0.00 0.00 0.00 46.02 46.68 1q38 n GLY 35 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1q38 s HIS 36 N 0.00 -1.03 0.32 1.61 2.46 -1.26 -4.99 115.29 112.41 1q38 s HIS 36 Ca 0.00 0.31 0.05 0.00 0.47 0.00 0.00 55.06 55.89 1q38 s HIS 36 Cb 0.00 0.18 0.55 0.00 -0.13 0.00 0.00 32.58 33.18 1q38 s HIS 36 CO 0.00 -0.66 1.79 1.37 -2.47 0.00 0.00 174.74 174.77 1q38 h LEU 37 N 6.63 0.37 0.00 8.88 -0.00 -1.95 -3.48 115.31 125.76 1q38 h LEU 37 Ca -0.02 -0.11 0.00 0.00 -0.00 0.00 0.00 57.88 57.76 1q38 h LEU 37 Cb 1.20 -0.10 0.00 0.00 -0.00 0.00 0.00 40.66 41.76 1q38 h LEU 37 CO 0.01 0.59 0.00 0.59 -0.00 0.00 0.00 178.44 179.63 1q38 n ASN 38 N -4.17 0.00 -3.92 0.17 4.13 -1.26 -5.12 115.26 105.09 1q38 n ASN 38 Ca -0.00 0.00 -0.28 0.00 1.68 0.00 0.00 54.58 55.97 1q38 n ASN 38 Cb 0.36 0.00 -0.17 0.00 -1.54 0.00 0.00 39.78 38.43 1q38 n ASN 38 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1q38 s SER 39 N -4.00 2.65 -0.38 6.41 0.01 -1.26 -5.10 113.70 112.03 1q38 s SER 39 Ca 0.00 -0.54 -0.02 0.00 1.31 0.00 0.00 55.95 56.70 1q38 s SER 39 Cb 0.00 -0.96 0.10 0.00 0.21 0.00 0.00 66.02 65.37 1q38 s SER 39 CO 0.00 -0.14 0.16 -0.47 0.41 0.00 0.00 173.24 173.20 1q38 s TYR 40 N 1.61 3.56 -0.09 2.43 6.14 -1.26 -5.08 117.35 124.66 1q38 s TYR 40 Ca 0.03 -2.38 0.04 0.00 0.64 0.00 0.00 57.07 55.40 1q38 s TYR 40 Cb -0.14 -3.02 -0.00 0.00 0.42 0.00 0.00 41.96 39.22 1q38 s TYR 40 CO -0.08 -0.94 -0.23 0.95 0.64 0.00 0.00 175.55 175.88 1q38 s THR 41 N 1.14 1.97 -0.24 4.34 -4.23 -1.26 -5.10 115.64 112.26 1q38 s THR 41 Ca 0.06 -0.98 -0.28 0.00 -1.18 0.00 0.00 61.69 59.32 1q38 s THR 41 Cb -0.22 -1.71 0.01 0.00 1.34 0.00 0.00 72.50 71.92 1q38 s THR 41 CO -0.04 0.54 0.98 -0.63 -0.54 0.00 0.00 174.62 174.93 1q38 s ILE 42 N 0.31 4.71 0.30 2.99 1.01 -1.26 -5.03 121.20 124.22 1q38 s ILE 42 Ca -0.17 1.85 0.03 0.00 0.00 0.00 0.00 60.65 62.37 1q38 s ILE 42 Cb -0.17 -4.26 0.03 0.00 0.01 0.00 0.00 42.46 38.07 1q38 s ILE 42 CO 0.08 -0.18 0.28 0.29 0.00 0.00 0.00 174.94 175.41 1q38 n LYS 43 N 6.28 0.98 -2.57 2.79 5.02 -1.26 -4.82 118.16 124.58 1q38 n LYS 43 Ca 0.10 -1.80 -0.06 0.00 -2.02 0.00 0.00 58.31 54.52 1q38 n LYS 43 Cb 0.47 0.11 0.03 0.00 -0.02 0.00 0.00 35.03 35.61 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 1.37 0.24 3.22 0.72 0.00 -1.26 -4.97 105.19 104.51 1q38 n GLY 44 Ca 0.02 -0.30 -0.13 0.00 0.00 0.00 0.00 46.02 45.60 1q38 n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1q38 s LEU 45 N -3.38 1.77 -0.16 0.99 1.43 -1.26 -3.24 118.68 114.82 1q38 s LEU 45 Ca 0.05 -1.26 -0.04 0.00 -1.03 0.00 0.00 54.13 51.84 1q38 s LEU 45 Cb -0.02 0.14 0.08 0.00 0.03 0.00 0.00 46.19 46.41 1q38 s LEU 45 CO 0.24 -0.69 0.26 -1.59 0.23 0.00 0.00 176.35 174.81 1q38 s LYS 46 N -4.02 0.18 -0.62 1.70 0.00 0.13 -4.73 119.74 112.38 1q38 s LYS 46 Ca 0.29 0.59 -0.35 0.00 0.00 0.00 0.00 55.97 56.50 1q38 s LYS 46 Cb 0.07 -0.37 -0.17 0.00 0.00 0.00 0.00 37.83 37.36 1q38 s LYS 46 CO 0.06 -0.41 2.37 -2.30 0.00 0.00 0.00 175.35 175.07 1q38 n PRO 47 N 5.34 0.40 0.00 1.78 -0.02 -1.25 -3.81 135.00 137.45 1q38 n PRO 47 Ca -0.06 0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 1q38 n PRO 47 Cb 0.50 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 1q38 n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1q38 n GLY 48 N 6.76 0.17 3.53 -1.23 0.00 -1.25 -4.92 105.19 108.25 1q38 n GLY 48 Ca 0.53 -0.01 -0.34 0.00 0.00 0.00 0.00 46.02 46.20 1q38 n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1q38 s VAL 49 N 0.00 3.67 0.27 1.61 0.11 -1.22 -4.99 120.40 119.85 1q38 s VAL 49 Ca 0.00 -0.47 -0.29 0.00 -2.93 0.00 0.00 61.98 58.29 1q38 s VAL 49 Cb 0.00 -2.54 -0.09 0.00 -1.53 0.00 0.00 36.38 32.22 1q38 s VAL 49 CO 0.00 0.56 1.04 0.54 -3.33 0.00 0.00 175.10 173.91 1q38 s VAL 50 N -0.32 3.71 0.02 2.04 0.11 -1.26 -2.08 120.40 122.63 1q38 s VAL 50 Ca 0.04 1.71 0.06 0.00 -2.93 0.00 0.00 61.98 60.87 1q38 s VAL 50 Cb -0.13 -4.08 -0.02 0.00 -1.53 0.00 0.00 36.38 30.63 1q38 s VAL 50 CO 0.02 0.39 -0.18 -0.31 -3.33 0.00 0.00 175.10 171.69 1q38 s TYR 51 N -1.19 1.64 -0.12 1.54 1.51 0.13 -1.11 117.35 119.74 1q38 s TYR 51 Ca 0.44 -0.34 0.01 0.00 -1.01 0.00 0.00 57.07 56.17 1q38 s TYR 51 Cb -0.29 -1.01 -0.01 0.00 -0.11 0.00 0.00 41.96 40.54 1q38 s TYR 51 CO 0.37 0.03 -0.17 -1.83 -1.11 0.00 0.00 175.55 172.84 1q38 s GLU 52 N -0.82 3.25 -0.04 -0.62 -1.05 -0.43 -0.54 118.70 118.44 1q38 s GLU 52 Ca 0.06 -0.76 0.02 0.00 -0.15 0.00 0.00 54.97 54.15 1q38 s GLU 52 Cb -0.08 -2.53 -0.03 0.00 -0.44 0.00 0.00 34.13 31.05 1q38 s GLU 52 CO 0.01 0.17 -0.09 0.20 0.95 0.00 0.00 175.26 176.50 1q38 s GLY 53 N 0.43 1.67 -0.15 -3.83 0.00 0.12 -2.16 107.32 103.40 1q38 s GLY 53 Ca -0.12 -0.95 -0.02 0.00 0.00 0.00 0.00 44.72 43.63 1q38 s GLY 53 CO 0.06 -0.75 0.00 1.20 0.00 0.00 0.00 173.10 173.61 1q38 s GLN 54 N -0.97 0.82 -0.39 2.90 -1.52 0.94 -1.56 119.66 119.88 1q38 s GLN 54 Ca 0.13 -0.27 -0.09 0.00 -1.95 0.00 0.00 55.36 53.18 1q38 s GLN 54 Cb -0.11 -1.73 0.05 0.00 -0.22 0.00 0.00 33.01 31.01 1q38 s GLN 54 CO 0.03 -0.48 0.21 -0.51 -0.25 0.00 0.00 175.29 174.29 1q38 s LEU 55 N 1.84 4.85 -0.19 2.90 1.43 -0.51 -0.71 118.68 128.29 1q38 s LEU 55 Ca 0.01 -1.27 -0.02 0.00 -1.03 0.00 0.00 54.13 51.82 1q38 s LEU 55 Cb -0.15 -1.97 -0.01 0.00 0.03 0.00 0.00 46.19 44.09 1q38 s LEU 55 CO -0.07 -0.45 -0.08 -0.63 0.23 0.00 0.00 176.35 175.35 1q38 s ILE 56 N 1.46 3.12 -0.06 -0.59 1.09 -0.43 -1.91 121.20 123.88 1q38 s ILE 56 Ca 0.02 -0.59 -0.20 0.00 -1.10 0.00 0.00 60.65 58.77 1q38 s ILE 56 Cb -0.21 -2.38 -0.04 0.00 -1.06 0.00 0.00 42.46 38.76 1q38 s ILE 56 CO 0.04 0.46 0.57 -0.94 -0.10 0.00 0.00 174.94 174.97 1q38 s SER 57 N 1.20 6.86 -0.19 3.58 1.04 0.21 -0.83 113.70 125.56 1q38 s SER 57 Ca 0.02 1.03 -0.02 0.00 0.48 0.00 0.00 55.95 57.45 1q38 s SER 57 Cb -0.14 -2.34 -0.01 0.00 0.10 0.00 0.00 66.02 63.63 1q38 s SER 57 CO -0.03 0.02 -0.08 -0.63 0.98 0.00 0.00 173.24 173.50 1q38 s ILE 58 N 0.34 3.18 0.31 -1.02 -1.09 -0.14 -0.19 121.20 122.59 1q38 s ILE 58 Ca 0.30 -0.57 0.00 0.00 -2.23 0.00 0.00 60.65 58.15 1q38 s ILE 58 Cb -0.17 -2.41 0.00 0.00 -1.58 0.00 0.00 42.46 38.30 1q38 s ILE 58 CO 0.15 0.46 0.01 1.67 -1.23 0.00 0.00 174.94 176.00 1q38 n GLN 59 N 4.43 1.25 0.32 2.79 7.27 -0.34 -2.30 117.38 130.80 1q38 n GLN 59 Ca -0.18 -2.22 0.19 0.00 0.07 0.00 0.00 57.00 54.86 1q38 n GLN 59 Cb 0.51 0.58 1.06 0.00 2.41 0.00 0.00 30.24 34.81 1q38 n GLN 59 CO 0.00 0.00 0.00 -0.56 0.07 0.00 0.00 177.06 176.57 1q38 h GLN 60 N 0.00 0.00 -0.55 3.69 3.07 -1.99 -0.06 115.11 119.27 1q38 h GLN 60 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.49 1q38 h GLN 60 Cb 0.77 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.33 1q38 h GLN 60 CO 0.42 0.01 0.00 0.66 0.09 0.00 0.00 178.83 180.01 1q38 n TYR 61 N -3.38 1.39 -0.97 0.06 4.01 -1.26 -5.07 117.16 111.94 1q38 n TYR 61 Ca -0.03 -0.66 0.00 0.00 -0.16 0.00 0.00 57.90 57.05 1q38 n TYR 61 Cb 0.10 -0.27 0.00 0.00 -0.31 0.00 0.00 39.34 38.85 1q38 n TYR 61 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1q38 n GLY 62 N 0.74 -1.78 3.61 2.72 0.00 -0.04 -4.97 105.19 105.47 1q38 n GLY 62 Ca 0.24 -1.90 -0.36 0.00 0.00 0.00 0.00 46.02 44.00 1q38 n GLY 62 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1q38 n HIS 63 N 0.00 0.66 0.01 1.61 -0.00 -1.26 -1.19 115.22 115.05 1q38 n HIS 63 Ca 0.00 0.40 0.00 0.00 -0.00 0.00 0.00 57.72 58.12 1q38 n HIS 63 Cb 0.00 -2.09 0.00 0.00 -0.00 0.00 0.00 29.99 27.90 1q38 n HIS 63 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 1q38 n GLN 64 N -1.65 0.00 -3.53 -1.40 1.13 0.74 -4.83 117.38 107.84 1q38 n GLN 64 Ca 0.13 0.00 -0.39 0.00 -1.94 0.00 0.00 57.00 54.80 1q38 n GLN 64 Cb 0.49 0.00 -0.10 0.00 0.11 0.00 0.00 30.24 30.74 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 -2.00 3.85 -0.08 -1.09 2.12 -1.24 -4.90 118.70 115.36 1q38 s GLU 65 Ca 0.00 -0.32 -0.01 0.00 0.36 0.00 0.00 54.97 55.00 1q38 s GLU 65 Cb 0.00 -3.70 0.03 0.00 0.26 0.00 0.00 34.13 30.72 1q38 s GLU 65 CO 0.00 -0.27 -0.02 0.54 -0.54 0.00 0.00 175.26 174.98 1q38 s VAL 66 N 1.82 0.53 -0.02 3.70 0.11 -1.23 0.64 120.40 125.96 1q38 s VAL 66 Ca 0.09 0.02 0.01 0.00 -2.93 0.00 0.00 61.98 59.16 1q38 s VAL 66 Cb -0.16 -0.66 0.01 0.00 -1.53 0.00 0.00 36.38 34.04 1q38 s VAL 66 CO 0.11 0.28 -0.02 -0.89 -3.33 0.00 0.00 175.10 171.24 1q38 s THR 67 N 1.91 0.26 -0.05 5.04 2.01 -0.80 -4.98 115.64 119.04 1q38 s THR 67 Ca 0.05 -0.06 0.00 0.00 0.31 0.00 0.00 61.69 61.99 1q38 s THR 67 Cb -0.12 -0.28 -0.03 0.00 0.01 0.00 0.00 72.50 72.07 1q38 s THR 67 CO -0.06 0.12 -0.02 -0.13 -0.69 0.00 0.00 174.62 173.84 1q38 s ARG 68 N 0.40 2.84 -0.17 4.92 0.52 -1.26 -1.42 118.95 124.78 1q38 s ARG 68 Ca -0.04 -0.53 -0.08 0.00 -0.52 0.00 0.00 55.73 54.56 1q38 s ARG 68 Cb -0.07 -2.69 0.07 0.00 0.52 0.00 0.00 34.95 32.78 1q38 s ARG 68 CO -0.01 0.66 0.40 -0.59 0.02 0.00 0.00 175.30 175.78 1q38 s PHE 69 N -0.95 -0.65 -0.24 -0.53 -0.71 -0.60 -4.98 117.98 109.32 1q38 s PHE 69 Ca 0.15 1.33 -0.12 0.00 -1.04 0.00 0.00 56.93 57.26 1q38 s PHE 69 Cb -0.11 0.25 -0.05 0.00 -1.21 0.00 0.00 43.02 41.90 1q38 s PHE 69 CO 0.05 -0.39 0.22 -0.51 -1.34 0.00 0.00 175.22 173.25 1q38 s ASP 70 N 1.89 6.18 0.07 1.98 1.11 -1.26 0.12 116.67 126.77 1q38 s ASP 70 Ca -0.06 0.19 0.02 0.00 0.18 0.00 0.00 52.55 52.88 1q38 s ASP 70 Cb -0.10 -2.14 -0.04 0.00 1.07 0.00 0.00 42.92 41.72 1q38 s ASP 70 CO -0.12 0.02 -0.06 0.72 1.18 0.00 0.00 175.17 176.90 1q38 s PHE 71 N 1.20 0.76 -0.12 4.23 -0.71 0.30 -4.98 117.98 118.65 1q38 s PHE 71 Ca 0.10 -0.78 -0.02 0.00 -1.04 0.00 0.00 56.93 55.19 1q38 s PHE 71 Cb -0.14 -0.45 -0.03 0.00 -1.21 0.00 0.00 43.02 41.19 1q38 s PHE 71 CO 0.06 -0.15 -0.04 0.95 -1.34 0.00 0.00 175.22 174.70 1q38 s THR 72 N -2.83 3.93 0.00 -4.49 -4.23 -1.26 0.17 115.64 106.93 1q38 s THR 72 Ca 0.03 -0.37 0.00 0.00 -1.18 0.00 0.00 61.69 60.17 1q38 s THR 72 Cb -0.00 -2.68 0.00 0.00 1.34 0.00 0.00 72.50 71.16 1q38 s THR 72 CO -0.03 0.54 0.00 0.35 -0.54 0.00 0.00 174.62 174.94 1q38 n THR 73 N 2.96 0.00 -1.33 3.99 -2.24 -0.88 -4.60 114.28 112.18 1q38 n THR 73 Ca -0.18 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 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 1.07 -0.57 0.00 0.00 175.07 175.57 1q38 n THR 74 N 0.00 -2.47 -3.69 4.28 5.66 -1.26 -2.86 114.28 113.94 1q38 n THR 74 Ca 0.00 1.14 0.00 0.00 -3.05 0.00 0.00 64.05 62.14 1q38 n THR 74 Cb 0.00 -1.58 0.00 0.00 -1.55 0.00 0.00 70.33 67.20 1q38 n THR 74 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1q38 n SER 75 N -1.04 0.00 -4.42 1.09 2.88 -1.20 -0.70 113.62 110.24 1q38 n SER 75 Ca 0.00 -0.87 -0.30 0.00 -1.33 0.00 0.00 58.87 56.36 1q38 n SER 75 Cb 0.01 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.34 1q38 n SER 75 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1q38 s THR 76 N -2.19 2.56 0.37 2.46 -4.23 -1.26 -4.74 115.64 108.61 1q38 s THR 76 Ca 0.00 -1.31 0.00 0.00 -1.18 0.00 0.00 61.69 59.20 1q38 s THR 76 Cb 0.00 -2.06 0.00 0.00 1.34 0.00 0.00 72.50 71.78 1q38 s THR 76 CO 0.00 0.31 0.00 -0.24 -0.54 0.00 0.00 174.62 174.15 1q38 n SER 77 N 1.53 -7.75 -3.19 3.99 2.88 -1.26 -4.85 113.62 104.96 1q38 n SER 77 Ca -0.16 0.73 -0.21 0.00 -1.33 0.00 0.00 58.87 57.89 1q38 n SER 77 Cb 0.52 -4.07 -0.06 0.00 -0.75 0.00 0.00 64.21 59.85 1q38 n SER 77 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1q38 n THR 78 N -4.02 -0.81 0.00 2.46 -1.04 -1.26 -4.37 114.28 105.23 1q38 n THR 78 Ca -0.01 -3.08 0.00 0.00 -2.04 0.00 0.00 64.05 58.92 1q38 n THR 78 Cb 0.60 -1.10 0.00 0.00 -1.82 0.00 0.00 70.33 68.01 1q38 n THR 78 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1q38 n PRO 79 N 2.37 0.00 -3.31 -2.82 -0.02 -1.26 -4.95 135.00 125.00 1q38 n PRO 79 Ca 0.24 0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 1q38 n PRO 79 Cb 0.52 -1.14 0.00 0.00 -0.02 0.00 0.00 33.50 32.86 1q38 n PRO 79 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1q38 n GLY 80 N -0.67 -1.36 0.00 -1.23 0.00 -1.26 -5.15 105.19 95.52 1q38 n GLY 80 Ca 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.05 1q38 n GLY 80 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1q38 n SER 81 N 0.94 0.26 -4.72 1.61 3.41 -1.26 -5.10 113.62 108.76 1q38 n SER 81 Ca 0.00 -0.55 -0.33 0.00 -0.26 0.00 0.00 58.87 57.72 1q38 n SER 81 Cb 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.87 1q38 n SER 81 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1q38 s ARG 82 N -0.66 2.93 -1.44 4.33 0.52 -1.26 -4.54 118.95 118.83 1q38 s ARG 82 Ca 0.00 -0.51 -0.09 0.00 -0.52 0.00 0.00 55.73 54.61 1q38 s ARG 82 Cb 0.00 -2.77 0.05 0.00 0.52 0.00 0.00 34.95 32.75 1q38 s ARG 82 CO 0.00 0.65 0.92 0.43 0.02 0.00 0.00 175.30 177.33 1q38 n SER 83 N 1.52 -3.85 -0.02 0.23 7.64 -1.26 -4.85 113.62 113.04 1q38 n SER 83 Ca -0.15 -0.76 0.00 0.00 1.01 0.00 0.00 58.87 58.96 1q38 n SER 83 Cb 0.53 -4.08 0.00 0.00 -1.01 0.00 0.00 64.21 59.65 1q38 n SER 83 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1q38 n HIS 84 N -4.59 0.00 -2.25 1.43 -0.00 -1.26 -5.09 115.22 103.46 1q38 n HIS 84 Ca -0.07 -0.05 0.00 0.00 -0.00 0.00 0.00 57.72 57.60 1q38 n HIS 84 Cb 0.58 -0.01 0.00 0.00 -0.00 0.00 0.00 29.99 30.56 1q38 n HIS 84 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 1q38 n HIS 85 N -0.05 0.00 -2.27 1.57 1.44 -1.26 -5.00 115.22 109.64 1q38 n HIS 85 Ca 0.00 0.00 -0.40 0.00 -2.01 0.00 0.00 57.72 55.31 1q38 n HIS 85 Cb 0.48 0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.60 1q38 n HIS 85 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14 1q38 n HIS 86 N 0.00 2.65 -3.97 -1.40 1.44 -1.26 -5.01 115.22 107.67 1q38 n HIS 86 Ca 0.00 -2.58 0.00 0.00 -2.01 0.00 0.00 57.72 53.13 1q38 n HIS 86 Cb 0.00 -1.43 0.00 0.00 0.12 0.00 0.00 29.99 28.68 1q38 n HIS 86 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 1q38 n HIS 87 N 0.56 -1.46 -3.92 -1.40 -0.00 -1.26 -4.95 115.22 102.79 1q38 n HIS 87 Ca 0.53 0.00 -0.09 0.00 0.46 0.00 0.00 57.72 58.63 1q38 n HIS 87 Cb 0.27 0.21 -0.08 0.00 -0.12 0.00 0.00 29.99 30.28 1q38 n HIS 87 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 1q38 s HIS 88 N 0.00 0.27 -2.10 1.57 5.04 -1.26 -5.12 115.29 113.69 1q38 s HIS 88 Ca 0.00 -0.72 0.31 0.00 -1.54 0.00 0.00 55.06 53.12 1q38 s HIS 88 Cb 0.00 -0.14 1.74 0.00 0.04 0.00 0.00 32.58 34.22 1q38 s HIS 88 CO 0.00 -0.53 2.13 0.72 -2.34 0.00 0.00 174.74 174.72