#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q38 n ARG 2 N 0.00 0.00 0.00 3.17 3.00 -1.26 -5.10 116.66 116.48 1q38 n ARG 2 Ca 0.00 0.05 0.00 0.00 -0.01 0.00 0.00 57.85 57.89 1q38 n ARG 2 Cb 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 32.46 32.07 1q38 n ARG 2 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1q38 n GLY 3 N 2.37 1.84 3.88 -0.13 0.00 -1.26 -5.03 105.19 106.86 1q38 n GLY 3 Ca 0.00 0.27 -0.33 0.00 0.00 0.00 0.00 46.02 45.96 1q38 n GLY 3 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1q38 s SER 4 N 0.00 6.61 0.19 1.61 0.01 -1.26 -5.07 113.70 115.78 1q38 s SER 4 Ca 0.00 0.81 -0.30 0.00 1.31 0.00 0.00 55.95 57.78 1q38 s SER 4 Cb 0.00 -2.18 -0.08 0.00 0.21 0.00 0.00 66.02 63.97 1q38 s SER 4 CO 0.00 0.02 0.93 0.21 0.41 0.00 0.00 173.24 174.81 1q38 s ASN 5 N -2.22 7.57 -0.42 2.44 3.04 -1.26 -5.04 114.94 119.05 1q38 s ASN 5 Ca 0.42 1.86 0.02 0.00 0.04 0.00 0.00 52.86 55.21 1q38 s ASN 5 Cb -0.12 -2.59 0.12 0.00 -1.54 0.00 0.00 41.25 37.12 1q38 s ASN 5 CO 0.21 0.08 0.18 0.00 -3.04 0.00 0.00 177.10 174.54 1q38 s ALA 6 N -0.76 2.51 -0.40 1.71 0.00 -1.26 -5.09 121.76 118.48 1q38 s ALA 6 Ca 0.43 -2.62 -0.29 0.00 0.00 0.00 0.00 51.96 49.48 1q38 s ALA 6 Cb -0.25 -1.93 0.00 0.00 0.00 0.00 0.00 23.12 20.94 1q38 s ALA 6 CO 0.31 -1.91 1.52 -1.25 0.00 0.00 0.00 175.76 174.42 1q38 s PRO 7 N 0.50 3.50 -0.99 0.00 0.04 -1.26 -3.94 135.00 132.84 1q38 s PRO 7 Ca 0.15 1.05 -0.10 0.00 0.04 0.00 0.00 61.00 62.13 1q38 s PRO 7 Cb -0.23 -4.08 -0.02 0.00 0.04 0.00 0.00 34.50 30.22 1q38 s PRO 7 CO -0.06 -1.66 0.79 1.04 0.04 0.00 0.00 177.00 177.15 1q38 n GLN 8 N 8.20 -1.53 0.00 4.56 6.02 -1.26 -5.02 117.38 128.35 1q38 n GLN 8 Ca 0.18 0.82 0.00 0.00 -0.01 0.00 0.00 57.00 57.99 1q38 n GLN 8 Cb 0.48 -4.72 0.00 0.00 1.02 0.00 0.00 30.24 27.01 1q38 n GLN 8 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1q38 n PRO 9 N -3.25 1.78 0.27 -1.09 -0.04 -1.25 -4.93 135.00 126.48 1q38 n PRO 9 Ca -0.09 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.50 1q38 n PRO 9 Cb 0.59 0.00 0.74 0.00 -0.04 0.00 0.00 33.50 34.79 1q38 n PRO 9 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1q38 h SER 10 N 0.00 0.00 -1.15 3.54 4.64 -1.95 -3.43 113.55 115.20 1q38 h SER 10 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1q38 h SER 10 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1q38 h SER 10 CO 0.00 0.11 0.00 1.57 -0.87 0.00 0.00 176.83 177.64 1q38 n HIS 11 N -3.71 0.00 -2.34 4.77 -0.00 -1.26 -5.07 115.22 107.62 1q38 n HIS 11 Ca -0.02 0.00 -0.34 0.00 -0.00 0.00 0.00 57.72 57.36 1q38 n HIS 11 Cb 0.22 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 30.20 1q38 n HIS 11 CO 0.00 0.00 0.00 -1.50 -0.00 0.00 0.00 176.34 174.84 1q38 s ILE 12 N 1.60 3.55 0.23 3.57 1.10 -1.26 -4.93 121.20 125.06 1q38 s ILE 12 Ca 0.00 0.92 -0.06 0.00 -0.51 0.00 0.00 60.65 61.00 1q38 s ILE 12 Cb 0.00 -3.37 0.20 0.00 0.15 0.00 0.00 42.46 39.44 1q38 s ILE 12 CO 0.00 -0.25 1.73 0.28 -2.11 0.00 0.00 174.94 174.59 1q38 h SER 13 N 1.20 0.24 -3.22 4.50 0.02 -1.89 -3.35 113.55 111.05 1q38 h SER 13 Ca -0.49 0.10 0.11 0.00 -0.84 0.00 0.00 61.79 60.67 1q38 h SER 13 Cb 1.24 0.09 -0.27 0.00 0.14 0.00 0.00 62.40 63.59 1q38 h SER 13 CO 0.58 0.11 0.62 -1.59 -1.14 0.00 0.00 176.83 175.41 1q38 s LYS 14 N -6.05 0.39 0.02 3.45 -2.85 -0.99 -4.29 119.74 109.42 1q38 s LYS 14 Ca -0.13 0.30 -0.00 0.00 -1.00 0.00 0.00 55.97 55.14 1q38 s LYS 14 Cb 0.19 0.19 -0.04 0.00 -2.06 0.00 0.00 37.83 36.11 1q38 s LYS 14 CO 0.76 -0.08 0.11 -0.47 0.10 0.00 0.00 175.35 175.76 1q38 s TYR 15 N -0.32 3.33 -0.17 1.78 6.14 -0.55 -0.07 117.35 127.49 1q38 s TYR 15 Ca 0.03 0.21 -0.01 0.00 0.64 0.00 0.00 57.07 57.94 1q38 s TYR 15 Cb -0.03 -1.73 -0.01 0.00 0.42 0.00 0.00 41.96 40.61 1q38 s TYR 15 CO -0.06 0.56 -0.12 0.42 0.64 0.00 0.00 175.55 176.99 1q38 s ILE 16 N -1.28 2.94 -0.27 3.14 -1.09 0.14 -1.01 121.20 123.78 1q38 s ILE 16 Ca 0.26 -0.67 -0.03 0.00 -2.23 0.00 0.00 60.65 57.97 1q38 s ILE 16 Cb -0.12 -2.27 0.02 0.00 -1.58 0.00 0.00 42.46 38.51 1q38 s ILE 16 CO 0.17 0.50 -0.01 -0.22 -1.23 0.00 0.00 174.94 174.15 1q38 s LEU 17 N 0.88 3.48 -0.13 2.97 0.20 -0.36 0.20 118.68 125.92 1q38 s LEU 17 Ca -0.03 -0.86 0.00 0.00 0.69 0.00 0.00 54.13 53.93 1q38 s LEU 17 Cb -0.15 -1.74 -0.01 0.00 -0.43 0.00 0.00 46.19 43.86 1q38 s LEU 17 CO -0.00 -0.16 -0.15 -0.13 -0.29 0.00 0.00 176.35 175.62 1q38 s ARG 18 N 1.37 3.33 0.01 1.98 0.52 -0.37 -1.25 118.95 124.54 1q38 s ARG 18 Ca 0.00 -0.72 -0.03 0.00 -0.52 0.00 0.00 55.73 54.46 1q38 s ARG 18 Cb -0.17 -2.59 -0.01 0.00 0.52 0.00 0.00 34.95 32.70 1q38 s ARG 18 CO -0.02 0.19 0.05 1.67 0.02 0.00 0.00 175.30 177.22 1q38 s TRP 19 N 0.39 0.13 -0.16 -0.53 -2.14 -1.04 -0.93 118.94 114.66 1q38 s TRP 19 Ca -0.12 -0.29 -0.21 0.00 2.66 0.00 0.00 56.10 58.15 1q38 s TRP 19 Cb -0.16 -0.11 0.05 0.00 -3.10 0.00 0.00 33.47 30.15 1q38 s TRP 19 CO 0.06 -0.22 0.55 0.50 -2.66 0.00 0.00 176.95 175.19 1q38 s ARG 20 N -1.27 0.73 -0.26 3.25 3.00 -1.06 -1.63 118.95 121.71 1q38 s ARG 20 Ca -0.14 0.58 -0.30 0.00 -1.00 0.00 0.00 55.73 54.87 1q38 s ARG 20 Cb -0.08 0.35 -0.07 0.00 0.00 0.00 0.00 34.95 35.15 1q38 s ARG 20 CO 0.00 -0.13 2.22 -2.30 0.00 0.00 0.00 175.30 175.09 1q38 n PRO 21 N 2.27 1.72 0.18 5.12 -0.02 -1.26 -1.13 135.00 141.88 1q38 n PRO 21 Ca -0.15 0.46 0.07 0.00 -2.02 0.00 0.00 63.50 61.86 1q38 n PRO 21 Cb 0.56 -3.04 0.20 0.00 -0.02 0.00 0.00 33.50 31.20 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 14.46 0.00 0.00 -0.52 1.63 -1.39 0.28 116.57 131.03 1q38 h LYS 22 Ca -0.37 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.42 1q38 h LYS 22 Cb 1.26 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.89 1q38 h LYS 22 CO 0.98 0.32 -1.55 -1.71 -3.45 0.00 0.00 179.45 174.04 1q38 n ASN 23 N -3.25 0.41 -0.49 4.20 4.05 -0.97 -4.14 115.26 115.07 1q38 n ASN 23 Ca 0.02 0.16 0.06 0.00 0.45 0.00 0.00 54.58 55.26 1q38 n ASN 23 Cb 0.60 1.23 0.07 0.00 1.23 0.00 0.00 39.78 42.90 1q38 n ASN 23 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 177.26 173.01 1q38 n SER 24 N -2.48 2.13 -2.54 1.20 7.64 -1.20 -5.05 113.62 113.32 1q38 n SER 24 Ca -0.03 -1.57 -0.13 0.00 1.01 0.00 0.00 58.87 58.14 1q38 n SER 24 Cb 0.58 -0.05 0.01 0.00 -1.01 0.00 0.00 64.21 63.75 1q38 n SER 24 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1q38 n VAL 25 N 0.61 -1.99 -1.44 0.44 3.14 0.97 -4.97 118.33 115.09 1q38 n VAL 25 Ca 0.08 0.20 0.00 0.00 -2.96 0.00 0.00 64.34 61.66 1q38 n VAL 25 Cb 0.31 -2.23 0.00 0.00 -1.06 0.00 0.00 33.84 30.86 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 0.48 5.27 3.94 7.55 0.00 -1.19 -5.01 105.19 116.23 1q38 n GLY 26 Ca -0.03 -1.47 -0.25 0.00 0.00 0.00 0.00 46.02 44.28 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 2.84 3.49 0.73 1.61 0.52 -1.26 -4.83 118.95 122.05 1q38 s ARG 27 Ca 0.00 -0.41 -0.05 0.00 -0.52 0.00 0.00 55.73 54.75 1q38 s ARG 27 Cb 0.00 -2.77 0.10 0.00 0.52 0.00 0.00 34.95 32.80 1q38 s ARG 27 CO 0.00 0.30 1.02 -1.58 0.02 0.00 0.00 175.30 175.06 1q38 s TRP 28 N -2.08 2.24 0.04 -0.53 0.52 -1.26 -4.50 118.94 113.37 1q38 s TRP 28 Ca 0.38 0.10 -0.08 0.00 0.02 0.00 0.00 56.10 56.53 1q38 s TRP 28 Cb -0.10 -3.20 -0.00 0.00 -1.15 0.00 0.00 33.47 29.01 1q38 s TRP 28 CO 0.32 -1.63 0.16 0.15 0.02 0.00 0.00 176.95 175.97 1q38 s LYS 29 N -5.24 0.66 -0.01 4.98 1.02 -0.65 -4.93 119.74 115.58 1q38 s LYS 29 Ca 0.64 -0.69 0.06 0.00 0.02 0.00 0.00 55.97 56.00 1q38 s LYS 29 Cb -0.08 0.27 -0.02 0.00 -0.52 0.00 0.00 37.83 37.48 1q38 s LYS 29 CO 0.45 -0.18 -0.21 -1.21 -0.92 0.00 0.00 175.35 173.28 1q38 s GLU 30 N -2.64 1.68 -0.15 1.68 2.02 -1.25 -2.49 118.70 117.54 1q38 s GLU 30 Ca -0.05 -0.76 -0.04 0.00 0.02 0.00 0.00 54.97 54.14 1q38 s GLU 30 Cb -0.01 -1.63 0.06 0.00 0.10 0.00 0.00 34.13 32.65 1q38 s GLU 30 CO -0.04 0.45 0.10 0.00 0.02 0.00 0.00 175.26 175.78 1q38 s ALA 31 N -0.51 0.29 -0.14 5.21 0.00 -0.38 -4.93 121.76 121.29 1q38 s ALA 31 Ca 0.08 -0.12 -0.19 0.00 0.00 0.00 0.00 51.96 51.73 1q38 s ALA 31 Cb -0.08 -0.99 -0.04 0.00 0.00 0.00 0.00 23.12 22.01 1q38 s ALA 31 CO -0.01 -1.04 0.52 0.99 0.00 0.00 0.00 175.76 176.23 1q38 s THR 32 N 2.17 5.14 -0.21 0.00 2.01 -1.25 -1.23 115.64 122.27 1q38 s THR 32 Ca 0.03 1.02 -0.04 0.00 0.31 0.00 0.00 61.69 63.01 1q38 s THR 32 Cb -0.15 -3.86 0.07 0.00 0.01 0.00 0.00 72.50 68.57 1q38 s THR 32 CO -0.08 0.26 0.08 -0.63 -0.69 0.00 0.00 174.62 173.56 1q38 s ILE 33 N 1.01 0.19 -0.79 1.82 1.01 -0.18 -4.89 121.20 119.38 1q38 s ILE 33 Ca 0.27 -0.50 -0.25 0.00 0.00 0.00 0.00 60.65 60.17 1q38 s ILE 33 Cb -0.15 -0.88 -0.09 0.00 0.01 0.00 0.00 42.46 41.35 1q38 s ILE 33 CO 0.11 -0.37 2.18 -2.84 0.00 0.00 0.00 174.94 174.02 1q38 s PRO 34 N 2.00 2.11 3.23 2.79 0.02 -1.26 -1.48 135.00 142.40 1q38 s PRO 34 Ca 0.03 0.29 0.00 0.00 0.02 0.00 0.00 61.00 61.33 1q38 s PRO 34 Cb -0.16 -4.84 0.00 0.00 0.02 0.00 0.00 34.50 29.52 1q38 s PRO 34 CO -0.15 -3.77 0.00 0.41 -0.33 0.00 0.00 177.00 173.16 1q38 n GLY 35 N 6.65 0.11 2.83 0.52 0.00 -1.26 -4.16 105.19 109.89 1q38 n GLY 35 Ca 0.41 -0.93 -0.37 0.00 0.00 0.00 0.00 46.02 45.13 1q38 n GLY 35 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1q38 n HIS 36 N 0.00 2.97 0.12 1.61 -0.00 -1.26 -4.81 115.22 113.84 1q38 n HIS 36 Ca 0.00 -3.26 -0.01 0.00 0.46 0.00 0.00 57.72 54.90 1q38 n HIS 36 Cb 0.00 -1.03 0.24 0.00 -0.12 0.00 0.00 29.99 29.08 1q38 n HIS 36 CO 0.00 0.00 0.00 1.37 0.46 0.00 0.00 176.34 178.17 1q38 h LEU 37 N 5.10 0.17 -7.99 0.27 -0.00 -1.94 -3.47 115.31 107.44 1q38 h LEU 37 Ca 0.20 -0.08 0.21 0.00 -0.00 0.00 0.00 57.88 58.21 1q38 h LEU 37 Cb 0.65 -0.05 -0.04 0.00 -0.00 0.00 0.00 40.66 41.23 1q38 h LEU 37 CO 1.12 0.60 0.68 0.54 -0.00 0.00 0.00 178.44 181.38 1q38 s ASN 38 N -6.89 0.02 -0.52 0.17 4.22 -1.26 -5.06 114.94 105.62 1q38 s ASN 38 Ca -0.04 -0.57 -0.28 0.00 -2.14 0.00 0.00 52.86 49.83 1q38 s ASN 38 Cb 0.13 0.41 0.02 0.00 1.28 0.00 0.00 41.25 43.09 1q38 s ASN 38 CO 0.76 -0.82 1.35 -0.44 -2.04 0.00 0.00 177.10 175.92 1q38 s SER 39 N -3.56 6.27 -0.22 3.54 0.01 -1.26 -4.98 113.70 113.50 1q38 s SER 39 Ca 0.25 0.39 0.01 0.00 1.31 0.00 0.00 55.95 57.91 1q38 s SER 39 Cb -0.02 -2.55 0.05 0.00 0.21 0.00 0.00 66.02 63.71 1q38 s SER 39 CO 0.04 -1.57 -0.10 -0.47 0.41 0.00 0.00 173.24 171.55 1q38 s TYR 40 N 5.59 2.62 -0.08 2.43 6.14 -1.26 -5.11 117.35 127.69 1q38 s TYR 40 Ca 0.52 -1.78 0.02 0.00 0.64 0.00 0.00 57.07 56.47 1q38 s TYR 40 Cb -0.10 -1.71 0.02 0.00 0.42 0.00 0.00 41.96 40.58 1q38 s TYR 40 CO 0.27 -0.78 -0.12 0.99 0.64 0.00 0.00 175.55 176.55 1q38 s THR 41 N 1.33 1.15 -0.17 4.34 2.01 -1.26 -5.12 115.64 117.92 1q38 s THR 41 Ca -0.03 -0.46 -0.26 0.00 0.31 0.00 0.00 61.69 61.25 1q38 s THR 41 Cb -0.17 -1.07 -0.01 0.00 0.01 0.00 0.00 72.50 71.26 1q38 s THR 41 CO -0.08 0.36 0.87 -0.63 -0.69 0.00 0.00 174.62 174.45 1q38 s ILE 42 N 0.87 4.86 0.00 1.82 1.01 -1.26 -5.03 121.20 123.47 1q38 s ILE 42 Ca -0.10 1.71 0.00 0.00 0.00 0.00 0.00 60.65 62.25 1q38 s ILE 42 Cb -0.15 -4.17 0.00 0.00 0.01 0.00 0.00 42.46 38.15 1q38 s ILE 42 CO 0.01 0.01 0.00 0.29 0.00 0.00 0.00 174.94 175.25 1q38 n LYS 43 N 5.29 3.37 -0.25 2.79 5.02 -1.26 -4.93 118.16 128.18 1q38 n LYS 43 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 1q38 n LYS 43 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.50 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 4.21 0.86 0.00 0.72 0.00 -1.26 -5.08 105.19 104.63 1q38 n GLY 44 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 0.00 0.00 -3.95 0.99 4.32 -1.26 -5.16 117.00 111.94 1q38 n LEU 45 Ca 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 56.01 55.90 1q38 n LEU 45 Cb 0.00 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 41.72 1q38 n LEU 45 CO 0.00 -0.28 -0.12 -1.59 -1.22 0.00 0.00 177.39 174.17 1q38 s LYS 46 N -0.16 0.93 0.47 3.23 -2.85 -1.26 -4.89 119.74 115.21 1q38 s LYS 46 Ca 0.00 -1.11 -0.23 0.00 -1.00 0.00 0.00 55.97 53.63 1q38 s LYS 46 Cb 0.00 0.33 -0.07 0.00 -2.06 0.00 0.00 37.83 36.03 1q38 s LYS 46 CO 0.00 -0.30 1.19 -1.25 0.10 0.00 0.00 175.35 175.09 1q38 s PRO 47 N -3.92 3.67 0.00 1.78 0.04 -1.26 -3.28 135.00 132.02 1q38 s PRO 47 Ca 0.11 1.84 0.00 0.00 0.04 0.00 0.00 61.00 63.00 1q38 s PRO 47 Cb 0.05 -2.39 0.00 0.00 0.04 0.00 0.00 34.50 32.20 1q38 s PRO 47 CO -0.06 -0.65 0.00 0.41 0.04 0.00 0.00 177.00 176.75 1q38 n GLY 48 N 0.49 0.80 3.29 0.56 0.00 -1.26 -4.95 105.19 104.11 1q38 n GLY 48 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.18 2.02 -0.13 1.61 0.11 -1.21 -5.09 120.40 114.53 1q38 s VAL 49 Ca 0.00 -1.08 0.00 0.00 -2.93 0.00 0.00 61.98 57.98 1q38 s VAL 49 Cb 0.00 -1.69 -0.01 0.00 -1.53 0.00 0.00 36.38 33.15 1q38 s VAL 49 CO 0.00 0.57 -0.14 -0.69 -3.33 0.00 0.00 175.10 171.51 1q38 s VAL 50 N -0.41 2.97 0.48 2.04 1.01 -1.26 -4.21 120.40 121.02 1q38 s VAL 50 Ca 0.04 -0.69 0.06 0.00 0.00 0.00 0.00 61.98 61.39 1q38 s VAL 50 Cb -0.11 -2.24 0.06 0.00 0.00 0.00 0.00 36.38 34.08 1q38 s VAL 50 CO 0.01 0.52 0.51 -1.22 0.00 0.00 0.00 175.10 174.92 1q38 n TYR 51 N 3.57 -1.56 -4.99 5.22 4.02 -0.73 -1.14 117.16 121.56 1q38 n TYR 51 Ca -0.18 -1.87 -0.29 0.00 -0.01 0.00 0.00 57.90 55.54 1q38 n TYR 51 Cb 0.53 -0.42 -0.17 0.00 -0.02 0.00 0.00 39.34 39.26 1q38 n TYR 51 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 1q38 s GLU 52 N -4.06 2.54 -0.10 -0.72 0.41 -0.29 -2.20 118.70 114.29 1q38 s GLU 52 Ca 0.39 -0.71 0.03 0.00 -0.41 0.00 0.00 54.97 54.27 1q38 s GLU 52 Cb -0.03 -1.96 0.00 0.00 -1.78 0.00 0.00 34.13 30.36 1q38 s GLU 52 CO 0.25 0.13 -0.22 0.20 -0.49 0.00 0.00 175.26 175.13 1q38 s GLY 53 N 0.45 1.24 -0.14 -1.39 0.00 -0.74 -2.55 107.32 104.19 1q38 s GLY 53 Ca -0.17 -0.89 -0.02 0.00 0.00 0.00 0.00 44.72 43.64 1q38 s GLY 53 CO 0.07 -0.21 0.02 1.20 0.00 0.00 0.00 173.10 174.18 1q38 s GLN 54 N 0.47 0.68 -0.43 2.90 -0.21 -0.11 -0.25 119.66 122.71 1q38 s GLN 54 Ca -0.16 -0.21 -0.13 0.00 0.02 0.00 0.00 55.36 54.87 1q38 s GLN 54 Cb -0.17 -1.66 0.05 0.00 1.00 0.00 0.00 33.01 32.24 1q38 s GLN 54 CO 0.07 -0.49 0.32 -0.51 -2.12 0.00 0.00 175.29 172.55 1q38 s LEU 55 N 1.89 5.27 -0.26 2.90 1.43 -0.30 -1.23 118.68 128.39 1q38 s LEU 55 Ca 0.02 -1.21 -0.06 0.00 -1.03 0.00 0.00 54.13 51.85 1q38 s LEU 55 Cb -0.15 -2.12 -0.00 0.00 0.03 0.00 0.00 46.19 43.95 1q38 s LEU 55 CO -0.07 -0.54 0.03 -0.63 0.23 0.00 0.00 176.35 175.37 1q38 s ILE 56 N 1.59 3.78 0.22 -0.59 1.09 0.13 -1.77 121.20 125.65 1q38 s ILE 56 Ca 0.04 -0.53 -0.28 0.00 -1.10 0.00 0.00 60.65 58.78 1q38 s ILE 56 Cb -0.22 -2.83 -0.09 0.00 -1.06 0.00 0.00 42.46 38.26 1q38 s ILE 56 CO 0.07 0.26 0.88 -0.44 -0.10 0.00 0.00 174.94 175.61 1q38 s SER 57 N 1.51 7.53 -0.09 3.58 0.01 0.15 0.29 113.70 126.68 1q38 s SER 57 Ca 0.04 1.83 0.04 0.00 1.31 0.00 0.00 55.95 59.18 1q38 s SER 57 Cb -0.16 -2.57 -0.01 0.00 0.21 0.00 0.00 66.02 63.50 1q38 s SER 57 CO 0.00 0.16 -0.23 -0.63 0.41 0.00 0.00 173.24 172.96 1q38 s ILE 58 N -1.20 2.21 0.20 1.44 1.01 0.90 0.46 121.20 126.22 1q38 s ILE 58 Ca 0.40 -0.99 0.02 0.00 0.00 0.00 0.00 60.65 60.08 1q38 s ILE 58 Cb -0.24 -1.84 0.02 0.00 0.01 0.00 0.00 42.46 40.41 1q38 s ILE 58 CO 0.29 0.56 0.19 0.00 0.00 0.00 0.00 174.94 175.98 1q38 n GLN 59 N 3.25 1.10 0.30 2.79 1.13 -1.26 -2.34 117.38 122.35 1q38 n GLN 59 Ca -0.18 -1.18 0.16 0.00 -1.94 0.00 0.00 57.00 53.86 1q38 n GLN 59 Cb 0.53 0.07 0.94 0.00 0.11 0.00 0.00 30.24 31.88 1q38 n GLN 59 CO 0.00 0.00 0.00 -0.56 -1.44 0.00 0.00 177.06 175.06 1q38 h GLN 60 N 0.00 0.00 -0.01 -1.09 3.07 -1.99 -0.88 115.11 114.21 1q38 h GLN 60 Ca -0.11 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.63 1q38 h GLN 60 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.01 1q38 h GLN 60 CO 0.18 0.00 -0.46 2.48 0.09 0.00 0.00 178.83 181.12 1q38 n TYR 61 N -3.78 0.00 0.00 0.06 4.11 -1.26 -5.10 117.16 111.20 1q38 n TYR 61 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.87 1q38 n TYR 61 Cb 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.43 1q38 n TYR 61 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1q38 n GLY 62 N 1.28 -2.10 2.48 -7.48 0.00 -0.34 -5.07 105.19 93.97 1q38 n GLY 62 Ca 0.07 -1.42 -0.04 0.00 0.00 0.00 0.00 46.02 44.63 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 -1.26 -3.80 0.00 1.61 8.25 -1.26 -4.61 115.22 114.15 1q38 n HIS 63 Ca 0.00 2.07 0.00 0.00 -0.26 0.00 0.00 57.72 59.53 1q38 n HIS 63 Cb 0.00 -3.65 0.00 0.00 1.12 0.00 0.00 29.99 27.46 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 1.22 0.00 -3.82 -0.41 1.13 0.17 -4.77 117.38 110.91 1q38 n GLN 64 Ca -0.26 0.00 -0.34 0.00 -1.94 0.00 0.00 57.00 54.46 1q38 n GLN 64 Cb 0.41 0.00 -0.05 0.00 0.11 0.00 0.00 30.24 30.70 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 0.00 3.52 -0.14 -1.09 2.12 -1.05 -4.85 118.70 117.22 1q38 s GLU 65 Ca 0.00 -0.18 -0.02 0.00 0.36 0.00 0.00 54.97 55.13 1q38 s GLU 65 Cb 0.00 -3.08 0.05 0.00 0.26 0.00 0.00 34.13 31.36 1q38 s GLU 65 CO 0.00 0.65 0.02 0.08 -0.54 0.00 0.00 175.26 175.47 1q38 s VAL 66 N -1.32 0.46 -0.04 3.70 1.01 -1.26 0.33 120.40 123.28 1q38 s VAL 66 Ca 0.28 -0.25 0.03 0.00 0.00 0.00 0.00 61.98 62.03 1q38 s VAL 66 Cb -0.13 -0.81 0.00 0.00 0.00 0.00 0.00 36.38 35.45 1q38 s VAL 66 CO 0.17 0.00 -0.12 -0.89 0.00 0.00 0.00 175.10 174.27 1q38 s THR 67 N 1.91 1.00 -0.16 3.92 2.01 -0.73 -5.00 115.64 118.59 1q38 s THR 67 Ca 0.02 -0.46 -0.02 0.00 0.31 0.00 0.00 61.69 61.53 1q38 s THR 67 Cb -0.15 -0.89 -0.02 0.00 0.01 0.00 0.00 72.50 71.45 1q38 s THR 67 CO -0.07 0.31 -0.07 -0.13 -0.69 0.00 0.00 174.62 173.96 1q38 s ARG 68 N 0.26 3.50 0.10 4.92 3.00 -1.26 -1.15 118.95 128.32 1q38 s ARG 68 Ca -0.05 -0.61 0.01 0.00 0.00 0.00 0.00 55.73 55.08 1q38 s ARG 68 Cb -0.11 -2.83 -0.04 0.00 0.00 0.00 0.00 34.95 31.97 1q38 s ARG 68 CO 0.01 0.13 -0.05 -0.59 0.00 0.00 0.00 175.30 174.80 1q38 s PHE 69 N 0.61 0.90 0.18 -0.53 -0.71 0.66 -5.02 117.98 114.07 1q38 s PHE 69 Ca -0.05 -0.94 -0.06 0.00 -1.04 0.00 0.00 56.93 54.84 1q38 s PHE 69 Cb -0.15 -0.52 -0.06 0.00 -1.21 0.00 0.00 43.02 41.08 1q38 s PHE 69 CO 0.03 -0.18 0.44 -0.51 -1.34 0.00 0.00 175.22 173.66 1q38 s ASP 70 N -3.05 6.52 -0.02 1.98 1.01 -1.26 -1.79 116.67 120.06 1q38 s ASP 70 Ca 0.13 0.68 0.07 0.00 0.71 0.00 0.00 52.55 54.14 1q38 s ASP 70 Cb 0.06 -2.13 -0.02 0.00 1.01 0.00 0.00 42.92 41.84 1q38 s ASP 70 CO -0.04 -0.01 -0.24 0.12 0.21 0.00 0.00 175.17 175.21 1q38 s PHE 71 N -1.76 2.40 0.23 4.23 2.19 -0.93 -4.79 117.98 119.55 1q38 s PHE 71 Ca 0.43 -0.39 -0.14 0.00 0.33 0.00 0.00 56.93 57.16 1q38 s PHE 71 Cb -0.12 -1.51 0.00 0.00 -1.31 0.00 0.00 43.02 40.08 1q38 s PHE 71 CO 0.24 0.02 0.48 0.95 1.83 0.00 0.00 175.22 178.75 1q38 s THR 72 N -0.65 0.01 0.00 0.12 -4.23 -1.26 -1.78 115.64 107.85 1q38 s THR 72 Ca 0.10 -1.25 0.00 0.00 -1.18 0.00 0.00 61.69 59.36 1q38 s THR 72 Cb -0.10 -2.03 0.00 0.00 1.34 0.00 0.00 72.50 71.71 1q38 s THR 72 CO -0.00 -0.06 0.00 0.41 -0.54 0.00 0.00 174.62 174.43 1q38 n THR 73 N -0.36 0.00 1.05 3.99 -1.04 -1.26 -4.89 114.28 111.76 1q38 n THR 73 Ca -0.04 0.00 0.03 0.00 -2.04 0.00 0.00 64.05 62.00 1q38 n THR 73 Cb 0.62 0.00 0.10 0.00 -1.82 0.00 0.00 70.33 69.23 1q38 n THR 73 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1q38 n THR 74 N 0.00 0.44 -4.07 12.58 -2.24 -1.26 -4.84 114.28 114.89 1q38 n THR 74 Ca 0.00 -0.31 -0.31 0.00 -2.27 0.00 0.00 64.05 61.16 1q38 n THR 74 Cb 0.00 -0.07 -0.07 0.00 -2.10 0.00 0.00 70.33 68.10 1q38 n THR 74 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1q38 s SER 75 N -0.72 5.57 -0.54 3.42 1.04 -1.26 -4.85 113.70 116.36 1q38 s SER 75 Ca 0.14 0.04 -0.19 0.00 0.48 0.00 0.00 55.95 56.42 1q38 s SER 75 Cb 0.09 -1.53 0.08 0.00 0.10 0.00 0.00 66.02 64.76 1q38 s SER 75 CO 0.07 0.20 0.64 -0.89 0.98 0.00 0.00 173.24 174.25 1q38 s THR 76 N -1.33 4.88 0.00 2.02 2.01 -1.26 -4.84 115.64 117.11 1q38 s THR 76 Ca 0.28 -0.77 0.00 0.00 0.31 0.00 0.00 61.69 61.50 1q38 s THR 76 Cb -0.12 -4.37 0.00 0.00 0.01 0.00 0.00 72.50 68.02 1q38 s THR 76 CO 0.20 -0.93 0.00 -1.20 -0.69 0.00 0.00 174.62 171.99 1q38 n SER 77 N 6.16 0.00 -3.73 3.53 7.64 -1.26 -5.07 113.62 120.89 1q38 n SER 77 Ca -0.08 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.51 1q38 n SER 77 Cb 0.44 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.66 1q38 n SER 77 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1q38 n THR 78 N 0.00 -4.80 -2.52 0.44 -2.24 -1.26 -4.87 114.28 99.03 1q38 n THR 78 Ca 0.00 -0.45 -0.43 0.00 -2.27 0.00 0.00 64.05 60.90 1q38 n THR 78 Cb 0.00 -3.70 -0.02 0.00 -2.10 0.00 0.00 70.33 64.51 1q38 n THR 78 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1q38 s PRO 79 N -5.57 4.03 -0.00 -0.78 0.04 -1.26 -4.72 135.00 126.74 1q38 s PRO 79 Ca 0.25 1.23 0.00 0.00 0.04 0.00 0.00 61.00 62.52 1q38 s PRO 79 Cb -0.11 -3.80 0.01 0.00 0.04 0.00 0.00 34.50 30.64 1q38 s PRO 79 CO 0.89 -0.96 0.17 0.41 0.04 0.00 0.00 177.00 177.54 1q38 n GLY 80 N 4.00 -0.46 3.36 0.56 0.00 -1.26 -4.88 105.19 106.51 1q38 n GLY 80 Ca 0.13 -0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.03 1q38 n GLY 80 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1q38 n SER 81 N -0.02 -6.58 -1.31 1.61 7.64 -1.26 -4.93 113.62 108.76 1q38 n SER 81 Ca -0.02 -0.50 -0.09 0.00 1.01 0.00 0.00 58.87 59.27 1q38 n SER 81 Cb 0.33 -4.11 0.15 0.00 -1.01 0.00 0.00 64.21 59.58 1q38 n SER 81 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1q38 n ARG 82 N -2.51 2.22 -2.92 1.43 3.00 -1.26 -4.82 116.66 111.80 1q38 n ARG 82 Ca -0.10 -3.44 -0.01 0.00 -0.00 0.00 0.00 57.85 54.30 1q38 n ARG 82 Cb 0.57 -1.91 0.00 0.00 0.00 0.00 0.00 32.46 31.13 1q38 n ARG 82 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1q38 s SER 83 N -2.87 -1.07 0.00 6.15 0.01 -1.26 -5.00 113.70 109.66 1q38 s SER 83 Ca 0.46 -0.83 0.00 0.00 1.31 0.00 0.00 55.95 56.89 1q38 s SER 83 Cb 0.41 1.38 0.00 0.00 0.21 0.00 0.00 66.02 68.02 1q38 s SER 83 CO -0.01 -0.09 0.61 0.00 0.41 0.00 0.00 173.24 174.16 1q38 n HIS 84 N 3.61 0.00 -4.38 2.43 1.44 -1.26 -5.14 115.22 111.93 1q38 n HIS 84 Ca 0.12 -0.26 -0.28 0.00 -2.01 0.00 0.00 57.72 55.29 1q38 n HIS 84 Cb 0.59 0.37 -0.13 0.00 0.12 0.00 0.00 29.99 30.95 1q38 n HIS 84 CO 0.00 0.00 0.00 -3.38 -2.81 0.00 0.00 176.34 170.15 1q38 s HIS 85 N 0.00 2.21 0.39 -1.40 -3.43 -1.26 -5.14 115.29 106.66 1q38 s HIS 85 Ca 0.00 -0.39 -0.11 0.00 -0.80 0.00 0.00 55.06 53.76 1q38 s HIS 85 Cb 0.00 -1.18 -0.07 0.00 -1.43 0.00 0.00 32.58 29.90 1q38 s HIS 85 CO 0.00 0.34 0.77 -3.38 -2.00 0.00 0.00 174.74 170.47 1q38 s HIS 86 N -1.20 3.45 0.47 0.38 -3.43 -1.26 -4.92 115.29 108.78 1q38 s HIS 86 Ca 0.14 1.08 0.00 0.00 -0.80 0.00 0.00 55.06 55.48 1q38 s HIS 86 Cb -0.10 -2.46 0.00 0.00 -1.43 0.00 0.00 32.58 28.59 1q38 s HIS 86 CO 0.06 -0.07 0.00 1.58 -2.00 0.00 0.00 174.74 174.31 1q38 n HIS 87 N -1.12 -3.22 -4.36 0.38 -0.00 -1.26 -5.03 115.22 100.62 1q38 n HIS 87 Ca 0.03 1.76 -0.19 0.00 -0.00 0.00 0.00 57.72 59.31 1q38 n HIS 87 Cb 0.54 -2.86 -0.10 0.00 -0.00 0.00 0.00 29.99 27.57 1q38 n HIS 87 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 1q38 s HIS 88 N -4.68 1.75 0.00 1.57 0.09 -1.26 -5.16 115.29 107.60 1q38 s HIS 88 Ca 0.00 -0.57 0.00 0.00 -0.00 0.00 0.00 55.06 54.49 1q38 s HIS 88 Cb 0.00 -0.83 0.00 0.00 -0.00 0.00 0.00 32.58 31.75 1q38 s HIS 88 CO 0.00 0.37 0.00 0.72 -0.00 0.00 0.00 174.74 175.83