#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 2.65 0.00 3.17 5.12 -1.26 -4.89 116.66 121.45 1q38 n ARG 2 Ca 0.00 -2.56 0.00 0.00 -1.93 0.00 0.00 57.85 53.36 1q38 n ARG 2 Cb 0.00 -1.56 0.00 0.00 -1.16 0.00 0.00 32.46 29.74 1q38 n ARG 2 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1q38 n GLY 3 N 1.63 1.03 2.83 -0.13 0.00 -1.26 -5.08 105.19 104.20 1q38 n GLY 3 Ca 0.23 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.00 1.15 0.00 1.61 0.01 -1.26 -5.08 113.70 108.13 1q38 s SER 4 Ca 0.00 -0.09 0.00 0.00 1.31 0.00 0.00 55.95 57.17 1q38 s SER 4 Cb 0.00 -0.41 0.00 0.00 0.21 0.00 0.00 66.02 65.82 1q38 s SER 4 CO 0.00 -0.12 0.33 -0.46 0.41 0.00 0.00 173.24 173.39 1q38 n ASN 5 N 4.55 0.00 -4.76 2.44 0.23 -1.26 -4.44 115.26 112.01 1q38 n ASN 5 Ca -0.17 0.40 -0.39 0.00 -0.53 0.00 0.00 54.58 53.89 1q38 n ASN 5 Cb 0.50 -0.15 0.01 0.00 -2.08 0.00 0.00 39.78 38.06 1q38 n ASN 5 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1q38 s ALA 6 N -3.00 3.18 0.17 -2.53 0.00 -1.26 -4.94 121.76 113.38 1q38 s ALA 6 Ca 0.00 1.33 -0.03 0.00 0.00 0.00 0.00 51.96 53.26 1q38 s ALA 6 Cb 0.00 -3.54 0.04 0.00 0.00 0.00 0.00 23.12 19.63 1q38 s ALA 6 CO 0.00 -1.05 1.43 -1.00 0.00 0.00 0.00 175.76 175.15 1q38 h PRO 7 N 2.33 0.49 -0.09 0.00 0.13 -2.06 -3.41 132.00 129.39 1q38 h PRO 7 Ca -0.50 -0.38 -0.21 0.00 -0.87 0.00 0.00 66.00 64.04 1q38 h PRO 7 Cb 1.26 0.07 -0.14 0.00 0.13 0.00 0.00 31.00 32.32 1q38 h PRO 7 CO 0.61 1.01 -0.48 0.94 -0.23 0.00 0.00 178.00 179.84 1q38 n GLN 8 N -3.88 0.75 0.00 0.86 -0.06 -1.26 -5.09 117.38 108.70 1q38 n GLN 8 Ca -0.04 -1.74 0.00 0.00 -2.00 0.00 0.00 57.00 53.21 1q38 n GLN 8 Cb 0.69 -1.45 0.00 0.00 -4.06 0.00 0.00 30.24 25.41 1q38 n GLN 8 CO 0.00 0.00 0.00 -0.35 -0.20 0.00 0.00 177.06 176.51 1q38 n PRO 9 N 1.76 0.00 -1.30 3.69 -0.04 -1.26 -5.04 135.00 132.81 1q38 n PRO 9 Ca 0.10 0.00 0.17 0.00 -0.04 0.00 0.00 63.50 63.72 1q38 n PRO 9 Cb 0.62 -0.42 -0.06 0.00 -0.04 0.00 0.00 33.50 33.61 1q38 n PRO 9 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1q38 n SER 10 N -0.17 -7.80 -0.08 3.54 7.64 -1.26 -4.75 113.62 110.74 1q38 n SER 10 Ca 0.00 0.91 -0.15 0.00 1.01 0.00 0.00 58.87 60.64 1q38 n SER 10 Cb 0.00 -4.19 -0.10 0.00 -1.01 0.00 0.00 64.21 58.91 1q38 n SER 10 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 1q38 h HIS 11 N -1.24 0.00 -2.71 1.43 3.86 -1.96 -3.46 115.15 111.06 1q38 h HIS 11 Ca -0.07 0.00 -0.66 0.00 -1.16 0.00 0.00 60.37 58.47 1q38 h HIS 11 Cb 1.22 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 29.62 1q38 h HIS 11 CO -0.11 1.01 -0.49 -1.50 0.86 0.00 0.00 177.93 177.70 1q38 s ILE 12 N -2.21 5.44 0.15 2.45 1.10 -1.26 -5.01 121.20 121.86 1q38 s ILE 12 Ca -0.21 0.10 -0.17 0.00 -0.51 0.00 0.00 60.65 59.87 1q38 s ILE 12 Cb 0.01 -3.40 0.03 0.00 0.15 0.00 0.00 42.46 39.25 1q38 s ILE 12 CO 0.55 0.55 1.71 0.28 -2.11 0.00 0.00 174.94 175.92 1q38 h SER 13 N 4.73 -0.13 -3.64 4.50 0.02 -1.89 -3.37 113.55 113.76 1q38 h SER 13 Ca -0.53 0.08 0.06 0.00 -0.84 0.00 0.00 61.79 60.55 1q38 h SER 13 Cb 1.22 0.13 -0.25 0.00 0.14 0.00 0.00 62.40 63.65 1q38 h SER 13 CO 0.60 -0.03 0.47 -1.59 -1.14 0.00 0.00 176.83 175.14 1q38 s LYS 14 N -6.19 0.57 -0.07 3.45 -2.85 -1.01 -4.85 119.74 108.79 1q38 s LYS 14 Ca -0.13 0.42 0.04 0.00 -1.00 0.00 0.00 55.97 55.29 1q38 s LYS 14 Cb 0.12 0.27 -0.02 0.00 -2.06 0.00 0.00 37.83 36.15 1q38 s LYS 14 CO 0.70 -0.12 -0.18 0.71 0.10 0.00 0.00 175.35 176.56 1q38 s TYR 15 N -0.34 2.62 -0.08 1.78 2.02 -0.92 -1.70 117.35 120.72 1q38 s TYR 15 Ca 0.01 -0.51 0.02 0.00 -0.37 0.00 0.00 57.07 56.22 1q38 s TYR 15 Cb -0.03 -1.67 -0.02 0.00 -0.40 0.00 0.00 41.96 39.84 1q38 s TYR 15 CO -0.02 -0.07 -0.15 0.42 -1.57 0.00 0.00 175.55 174.15 1q38 s ILE 16 N -0.24 2.96 -0.25 2.71 -1.09 0.01 -0.84 121.20 124.46 1q38 s ILE 16 Ca -0.00 -0.73 -0.01 0.00 -2.23 0.00 0.00 60.65 57.67 1q38 s ILE 16 Cb -0.13 -2.19 0.03 0.00 -1.58 0.00 0.00 42.46 38.59 1q38 s ILE 16 CO 0.03 0.56 -0.07 -0.22 -1.23 0.00 0.00 174.94 174.02 1q38 s LEU 17 N -0.24 3.19 -0.13 2.97 0.20 0.51 -1.40 118.68 123.77 1q38 s LEU 17 Ca 0.01 -0.90 -0.00 0.00 0.69 0.00 0.00 54.13 53.93 1q38 s LEU 17 Cb -0.13 -1.65 -0.01 0.00 -0.43 0.00 0.00 46.19 43.96 1q38 s LEU 17 CO 0.03 -0.13 -0.14 -0.13 -0.29 0.00 0.00 176.35 175.69 1q38 s ARG 18 N 1.31 3.35 0.04 1.98 0.52 -0.59 -1.16 118.95 124.41 1q38 s ARG 18 Ca -0.00 -0.70 -0.07 0.00 -0.52 0.00 0.00 55.73 54.44 1q38 s ARG 18 Cb -0.17 -2.63 -0.00 0.00 0.52 0.00 0.00 34.95 32.67 1q38 s ARG 18 CO -0.05 0.18 0.14 1.67 0.02 0.00 0.00 175.30 177.26 1q38 s TRP 19 N 0.43 0.14 0.00 -0.53 -2.14 -1.09 -0.13 118.94 115.63 1q38 s TRP 19 Ca -0.10 -0.41 -0.28 0.00 2.66 0.00 0.00 56.10 57.96 1q38 s TRP 19 Cb -0.16 -0.10 0.07 0.00 -3.10 0.00 0.00 33.47 30.18 1q38 s TRP 19 CO 0.05 -0.39 0.64 -0.98 -2.66 0.00 0.00 176.95 173.61 1q38 s ARG 20 N -2.62 1.09 -0.02 3.25 1.70 0.39 -1.17 118.95 121.58 1q38 s ARG 20 Ca -0.05 0.06 -0.31 0.00 -0.47 0.00 0.00 55.73 54.96 1q38 s ARG 20 Cb -0.01 0.51 -0.09 0.00 -0.57 0.00 0.00 34.95 34.79 1q38 s ARG 20 CO -0.04 -0.38 1.98 -2.30 -1.08 0.00 0.00 175.30 173.48 1q38 n PRO 21 N 0.61 2.61 0.30 3.89 -0.02 -1.25 -0.67 135.00 140.48 1q38 n PRO 21 Ca -0.19 0.94 0.17 0.00 -2.02 0.00 0.00 63.50 62.40 1q38 n PRO 21 Cb 0.59 -2.93 0.96 0.00 -0.02 0.00 0.00 33.50 32.10 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 10.64 0.00 0.01 -0.52 3.64 -1.75 -2.76 116.57 125.84 1q38 h LYS 22 Ca -0.49 0.00 -0.38 0.00 -1.27 0.00 0.00 60.65 58.52 1q38 h LYS 22 Cb 1.25 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 33.01 1q38 h LYS 22 CO 0.95 0.02 -2.37 0.09 -2.27 0.00 0.00 179.45 175.87 1q38 n ASN 23 N -3.58 1.32 -4.42 4.20 3.02 -1.26 -4.87 115.26 109.68 1q38 n ASN 23 Ca -0.03 -0.04 -0.39 0.00 -0.03 0.00 0.00 54.58 54.09 1q38 n ASN 23 Cb 0.11 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.17 1q38 n ASN 23 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1q38 s SER 24 N -6.23 5.63 -0.17 6.41 0.01 -1.04 -5.07 113.70 113.23 1q38 s SER 24 Ca -0.25 -0.70 -0.15 0.00 1.31 0.00 0.00 55.95 56.16 1q38 s SER 24 Cb 0.08 -2.01 -0.04 0.00 0.21 0.00 0.00 66.02 64.25 1q38 s SER 24 CO 0.70 -0.27 0.33 0.68 0.41 0.00 0.00 173.24 175.09 1q38 s VAL 25 N 1.59 5.27 0.29 3.43 -7.23 -1.26 -3.79 120.40 118.71 1q38 s VAL 25 Ca 0.04 0.61 0.00 0.00 -1.81 0.00 0.00 61.98 60.81 1q38 s VAL 25 Cb -0.18 -3.67 0.00 0.00 0.56 0.00 0.00 36.38 33.09 1q38 s VAL 25 CO 0.06 0.35 0.00 0.61 -0.31 0.00 0.00 175.10 175.81 1q38 n GLY 26 N 3.56 -1.43 3.56 2.32 0.00 -1.26 -5.12 105.19 106.82 1q38 n GLY 26 Ca -0.11 0.31 -0.11 0.00 0.00 0.00 0.00 46.02 46.12 1q38 n GLY 26 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1q38 s ARG 27 N -2.00 0.66 0.00 1.61 3.52 -1.26 -5.18 118.95 116.30 1q38 s ARG 27 Ca 0.00 0.09 0.00 0.00 -0.13 0.00 0.00 55.73 55.69 1q38 s ARG 27 Cb 0.00 0.31 0.00 0.00 -1.56 0.00 0.00 34.95 33.70 1q38 s ARG 27 CO 0.00 -0.22 0.00 0.91 -0.81 0.00 0.00 175.30 175.18 1q38 n TRP 28 N 0.60 -3.43 -3.92 5.12 7.02 -1.26 -4.70 117.44 116.87 1q38 n TRP 28 Ca -0.11 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.27 1q38 n TRP 28 Cb 0.58 0.00 -0.10 0.00 -2.42 0.00 0.00 31.31 29.37 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 -2.42 0.46 -0.04 -0.99 1.02 -0.31 -4.90 119.74 112.56 1q38 s LYS 29 Ca 0.00 -0.55 0.07 0.00 0.02 0.00 0.00 55.97 55.51 1q38 s LYS 29 Cb 0.00 0.18 -0.01 0.00 -0.52 0.00 0.00 37.83 37.48 1q38 s LYS 29 CO 0.00 -0.10 -0.25 -1.21 -0.92 0.00 0.00 175.35 172.86 1q38 s GLU 30 N -1.71 2.39 -0.16 1.68 2.02 -1.25 -2.66 118.70 119.01 1q38 s GLU 30 Ca -0.13 -0.91 -0.04 0.00 0.02 0.00 0.00 54.97 53.91 1q38 s GLU 30 Cb -0.07 -2.12 0.06 0.00 0.10 0.00 0.00 34.13 32.11 1q38 s GLU 30 CO -0.01 0.45 0.12 0.00 0.02 0.00 0.00 175.26 175.84 1q38 s ALA 31 N -0.33 0.23 0.06 5.21 0.00 -0.31 -4.91 121.76 121.72 1q38 s ALA 31 Ca 0.01 -0.10 -0.18 0.00 0.00 0.00 0.00 51.96 51.70 1q38 s ALA 31 Cb -0.12 -1.05 -0.06 0.00 0.00 0.00 0.00 23.12 21.89 1q38 s ALA 31 CO 0.02 -1.09 0.53 0.99 0.00 0.00 0.00 175.76 176.21 1q38 s THR 32 N 2.19 4.82 -0.07 0.00 2.01 -1.25 -0.36 115.64 122.97 1q38 s THR 32 Ca 0.03 1.09 -0.03 0.00 0.31 0.00 0.00 61.69 63.10 1q38 s THR 32 Cb -0.15 -3.84 0.04 0.00 0.01 0.00 0.00 72.50 68.55 1q38 s THR 32 CO -0.09 0.53 0.06 0.27 -0.69 0.00 0.00 174.62 174.70 1q38 s ILE 33 N -1.14 -0.04 -1.07 1.82 -4.36 -0.02 -4.96 121.20 111.42 1q38 s ILE 33 Ca 0.29 0.25 -0.22 0.00 -0.26 0.00 0.00 60.65 60.71 1q38 s ILE 33 Cb -0.18 -0.30 0.01 0.00 1.25 0.00 0.00 42.46 43.24 1q38 s ILE 33 CO 0.18 0.08 1.69 -2.16 0.24 0.00 0.00 174.94 174.97 1q38 s PRO 34 N 2.14 3.30 3.78 0.37 0.04 -1.26 -2.17 135.00 141.19 1q38 s PRO 34 Ca 0.04 -1.12 0.00 0.00 0.04 0.00 0.00 61.00 59.96 1q38 s PRO 34 Cb -0.13 -5.32 0.00 0.00 0.04 0.00 0.00 34.50 29.09 1q38 s PRO 34 CO -0.05 -2.71 0.00 0.41 0.04 0.00 0.00 177.00 174.69 1q38 n GLY 35 N 6.43 2.06 3.10 0.56 0.00 -1.26 -4.43 105.19 111.65 1q38 n GLY 35 Ca 0.40 -0.07 0.03 0.00 0.00 0.00 0.00 46.02 46.38 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 -1.33 0.04 1.61 2.46 -1.26 -4.99 115.29 111.83 1q38 s HIS 36 Ca 0.00 0.45 0.01 0.00 0.47 0.00 0.00 55.06 55.99 1q38 s HIS 36 Cb 0.00 0.24 -0.26 0.00 -0.13 0.00 0.00 32.58 32.43 1q38 s HIS 36 CO 0.00 -0.84 1.00 -0.07 -2.47 0.00 0.00 174.74 172.36 1q38 h LEU 37 N 7.01 0.26 0.00 8.88 4.07 -1.97 -3.50 115.31 130.07 1q38 h LEU 37 Ca -0.00 -0.33 0.00 0.00 0.08 0.00 0.00 57.88 57.62 1q38 h LEU 37 Cb 1.19 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.85 1q38 h LEU 37 CO 0.05 1.27 0.00 -0.46 -1.08 0.00 0.00 178.44 178.22 1q38 n ASN 38 N -3.40 0.00 -4.52 -0.43 2.04 -1.26 -5.10 115.26 102.58 1q38 n ASN 38 Ca -0.11 -0.12 -0.43 0.00 -0.44 0.00 0.00 54.58 53.49 1q38 n ASN 38 Cb 1.02 0.00 -0.04 0.00 -2.53 0.00 0.00 39.78 38.22 1q38 n ASN 38 CO 0.00 0.00 0.00 -0.94 -0.44 0.00 0.00 177.26 175.88 1q38 s SER 39 N 1.65 6.35 -0.38 0.53 1.04 -1.26 -5.01 113.70 116.62 1q38 s SER 39 Ca 0.00 -0.32 -0.22 0.00 0.48 0.00 0.00 55.95 55.89 1q38 s SER 39 Cb 0.00 -2.43 0.01 0.00 0.10 0.00 0.00 66.02 63.70 1q38 s SER 39 CO 0.00 -1.20 0.72 -0.47 0.98 0.00 0.00 173.24 173.27 1q38 s TYR 40 N 3.88 3.10 -0.09 5.02 5.04 -1.26 -5.05 117.35 128.00 1q38 s TYR 40 Ca 0.31 0.37 -0.01 0.00 -2.44 0.00 0.00 57.07 55.30 1q38 s TYR 40 Cb -0.12 -3.35 -0.03 0.00 0.35 0.00 0.00 41.96 38.81 1q38 s TYR 40 CO 0.20 -0.75 -0.04 0.99 -1.34 0.00 0.00 175.55 174.61 1q38 s THR 41 N 2.97 3.95 -0.28 4.34 2.01 -1.26 -5.10 115.64 122.27 1q38 s THR 41 Ca 0.28 -0.37 -0.08 0.00 0.31 0.00 0.00 61.69 61.83 1q38 s THR 41 Cb -0.13 -2.65 -0.01 0.00 0.01 0.00 0.00 72.50 69.71 1q38 s THR 41 CO 0.17 0.58 0.10 -0.63 -0.69 0.00 0.00 174.62 174.16 1q38 s ILE 42 N -0.61 4.34 -0.13 1.82 1.01 -1.26 -5.08 121.20 121.29 1q38 s ILE 42 Ca 0.09 -0.38 0.01 0.00 0.00 0.00 0.00 60.65 60.37 1q38 s ILE 42 Cb -0.12 -3.14 -0.01 0.00 0.01 0.00 0.00 42.46 39.20 1q38 s ILE 42 CO 0.02 0.18 -0.16 -0.75 0.00 0.00 0.00 174.94 174.23 1q38 s LYS 43 N 1.59 3.29 0.00 2.79 2.20 -1.26 -4.73 119.74 123.62 1q38 s LYS 43 Ca 0.05 -0.74 0.00 0.00 -0.36 0.00 0.00 55.97 54.92 1q38 s LYS 43 Cb -0.16 -2.56 0.00 0.00 -1.51 0.00 0.00 37.83 33.60 1q38 s LYS 43 CO 0.04 0.18 0.00 0.41 -0.36 0.00 0.00 175.35 175.62 1q38 n GLY 44 N 3.60 -0.28 0.00 5.54 0.00 -1.26 -5.12 105.19 107.66 1q38 n GLY 44 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -4.09 0.99 7.99 -1.26 -5.04 117.00 115.59 1q38 n LEU 45 Ca 0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 56.01 55.80 1q38 n LEU 45 Cb 0.00 0.00 -0.14 0.00 -0.11 0.00 0.00 43.42 43.17 1q38 n LEU 45 CO 0.00 -0.30 -0.45 -0.54 -1.51 0.00 0.00 177.39 174.59 1q38 s LYS 46 N -1.77 0.92 -0.66 3.23 1.02 -1.26 -4.83 119.74 116.38 1q38 s LYS 46 Ca 0.00 -0.53 -0.26 0.00 0.02 0.00 0.00 55.97 55.20 1q38 s LYS 46 Cb 0.00 -0.89 -0.11 0.00 -0.52 0.00 0.00 37.83 36.31 1q38 s LYS 46 CO 0.00 0.24 2.42 -2.14 -0.92 0.00 0.00 175.35 174.95 1q38 s PRO 47 N -0.58 1.80 0.00 -1.68 0.02 -1.26 -1.02 135.00 132.27 1q38 s PRO 47 Ca 0.03 0.90 0.00 0.00 0.02 0.00 0.00 61.00 61.95 1q38 s PRO 47 Cb -0.06 -4.70 0.00 0.00 0.02 0.00 0.00 34.50 29.77 1q38 s PRO 47 CO 0.00 -3.97 0.00 0.41 -0.33 0.00 0.00 177.00 173.11 1q38 n GLY 48 N 6.46 1.18 3.70 0.52 0.00 -1.26 -5.08 105.19 110.72 1q38 n GLY 48 Ca 0.43 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.18 5.20 0.10 1.61 1.01 -0.19 -5.06 120.40 121.89 1q38 s VAL 49 Ca 0.00 0.84 -0.08 0.00 0.00 0.00 0.00 61.98 62.74 1q38 s VAL 49 Cb 0.00 -3.77 -0.06 0.00 0.00 0.00 0.00 36.38 32.55 1q38 s VAL 49 CO 0.00 0.30 0.40 -0.69 0.00 0.00 0.00 175.10 175.11 1q38 s VAL 50 N 0.88 5.11 -0.17 2.92 1.01 -1.26 -4.26 120.40 124.63 1q38 s VAL 50 Ca 0.23 0.34 0.00 0.00 0.00 0.00 0.00 61.98 62.55 1q38 s VAL 50 Cb -0.15 -3.64 0.01 0.00 0.00 0.00 0.00 36.38 32.60 1q38 s VAL 50 CO 0.09 0.20 -0.16 -0.31 0.00 0.00 0.00 175.10 174.92 1q38 s TYR 51 N -1.49 2.79 0.32 5.22 1.51 -1.03 -2.10 117.35 122.57 1q38 s TYR 51 Ca 0.36 -1.28 -0.18 0.00 -1.01 0.00 0.00 57.07 54.96 1q38 s TYR 51 Cb -0.13 -1.92 -0.09 0.00 -0.11 0.00 0.00 41.96 39.71 1q38 s TYR 51 CO 0.20 -0.62 0.79 -1.83 -1.11 0.00 0.00 175.55 172.97 1q38 s GLU 52 N 1.07 4.14 -0.07 -0.62 -1.05 0.16 -2.10 118.70 120.24 1q38 s GLU 52 Ca -0.01 0.84 -0.26 0.00 -0.15 0.00 0.00 54.97 55.40 1q38 s GLU 52 Cb -0.14 -2.52 0.06 0.00 -0.44 0.00 0.00 34.13 31.09 1q38 s GLU 52 CO -0.05 0.19 0.59 0.20 0.95 0.00 0.00 175.26 177.13 1q38 s GLY 53 N -2.07 -0.47 0.01 -3.83 0.00 -0.71 -0.47 107.32 99.79 1q38 s GLY 53 Ca 0.53 1.16 0.03 0.00 0.00 0.00 0.00 44.72 46.44 1q38 s GLY 53 CO 0.18 0.85 -0.10 1.62 0.00 0.00 0.00 173.10 175.65 1q38 s GLN 54 N -0.99 0.74 -0.38 2.90 0.74 0.81 -1.32 119.66 122.16 1q38 s GLN 54 Ca -0.10 -0.46 -0.08 0.00 0.05 0.00 0.00 55.36 54.77 1q38 s GLN 54 Cb -0.02 -0.69 0.06 0.00 1.10 0.00 0.00 33.01 33.46 1q38 s GLN 54 CO 0.07 0.18 0.20 -0.51 -0.55 0.00 0.00 175.29 174.68 1q38 s LEU 55 N -0.57 4.81 -0.09 3.68 1.43 -0.43 -1.54 118.68 125.97 1q38 s LEU 55 Ca 0.01 -1.34 -0.11 0.00 -1.03 0.00 0.00 54.13 51.66 1q38 s LEU 55 Cb -0.05 -1.94 -0.05 0.00 0.03 0.00 0.00 46.19 44.18 1q38 s LEU 55 CO 0.00 -0.45 0.26 -0.63 0.23 0.00 0.00 176.35 175.77 1q38 s ILE 56 N 1.42 5.30 -0.13 -0.59 1.09 -0.50 -2.18 121.20 125.61 1q38 s ILE 56 Ca 0.02 0.50 -0.02 0.00 -1.10 0.00 0.00 60.65 60.04 1q38 s ILE 56 Cb -0.21 -3.56 -0.03 0.00 -1.06 0.00 0.00 42.46 37.60 1q38 s ILE 56 CO 0.03 0.55 -0.07 -0.55 -0.10 0.00 0.00 174.94 174.80 1q38 s SER 57 N -0.70 4.59 -0.20 3.58 0.15 0.19 -0.81 113.70 120.51 1q38 s SER 57 Ca 0.18 -0.15 -0.03 0.00 0.70 0.00 0.00 55.95 56.66 1q38 s SER 57 Cb -0.14 -1.60 -0.01 0.00 -1.71 0.00 0.00 66.02 62.56 1q38 s SER 57 CO 0.07 0.21 -0.08 -0.63 1.20 0.00 0.00 173.24 174.01 1q38 s ILE 58 N 0.09 3.14 0.50 6.45 1.01 -0.69 -2.17 121.20 129.53 1q38 s ILE 58 Ca -0.02 -0.58 0.04 0.00 0.00 0.00 0.00 60.65 60.09 1q38 s ILE 58 Cb -0.14 -2.40 -0.00 0.00 0.01 0.00 0.00 42.46 39.93 1q38 s ILE 58 CO 0.03 0.46 0.21 -1.10 0.00 0.00 0.00 174.94 174.54 1q38 s GLN 59 N 1.26 2.22 0.35 2.79 -0.21 -1.26 -2.40 119.66 122.42 1q38 s GLN 59 Ca 0.03 -2.12 0.08 0.00 0.02 0.00 0.00 55.36 53.37 1q38 s GLN 59 Cb -0.14 -1.87 0.65 0.00 1.00 0.00 0.00 33.01 32.65 1q38 s GLN 59 CO -0.03 -0.41 1.83 -0.56 -2.12 0.00 0.00 175.29 174.00 1q38 h GLN 60 N 1.12 0.25 -0.10 2.91 3.07 -1.98 -2.51 115.11 117.86 1q38 h GLN 60 Ca -0.41 -0.08 0.00 0.00 0.09 0.00 0.00 58.65 58.26 1q38 h GLN 60 Cb 1.30 -0.02 0.00 0.00 0.08 0.00 0.00 27.48 28.83 1q38 h GLN 60 CO 0.66 0.47 0.00 0.66 0.09 0.00 0.00 178.83 180.71 1q38 n TYR 61 N -4.18 0.10 -2.27 0.06 4.01 -1.26 -5.03 117.16 108.59 1q38 n TYR 61 Ca -0.01 -0.06 -0.01 0.00 -0.16 0.00 0.00 57.90 57.66 1q38 n TYR 61 Cb 0.34 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.37 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 1.23 -3.28 0.13 2.72 0.00 -0.95 -5.01 105.19 100.03 1q38 n GLY 62 Ca 0.14 0.29 -0.20 0.00 0.00 0.00 0.00 46.02 46.25 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 0.29 0.21 -2.41 1.61 8.25 -1.26 -4.92 115.22 117.00 1q38 n HIS 63 Ca 0.01 0.05 -0.05 0.00 -0.26 0.00 0.00 57.72 57.47 1q38 n HIS 63 Cb 0.05 -1.03 0.01 0.00 1.12 0.00 0.00 29.99 30.14 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 -3.40 -1.63 -3.52 -0.41 6.02 -0.92 -5.01 117.38 108.50 1q38 n GLN 64 Ca -0.44 1.61 -0.37 0.00 -0.01 0.00 0.00 57.00 57.79 1q38 n GLN 64 Cb 0.98 -4.32 -0.08 0.00 1.02 0.00 0.00 30.24 27.85 1q38 n GLN 64 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1q38 s GLU 65 N -2.06 4.17 -0.04 -1.09 2.12 -1.12 -4.77 118.70 115.90 1q38 s GLU 65 Ca 0.16 0.01 0.05 0.00 0.36 0.00 0.00 54.97 55.55 1q38 s GLU 65 Cb -0.05 -3.50 -0.01 0.00 0.26 0.00 0.00 34.13 30.83 1q38 s GLU 65 CO 0.52 0.07 -0.17 0.54 -0.54 0.00 0.00 175.26 175.68 1q38 s VAL 66 N 0.98 1.44 -0.05 3.70 0.11 -1.23 0.54 120.40 125.90 1q38 s VAL 66 Ca 0.14 -0.73 -0.01 0.00 -2.93 0.00 0.00 61.98 58.45 1q38 s VAL 66 Cb -0.14 -1.23 0.03 0.00 -1.53 0.00 0.00 36.38 33.51 1q38 s VAL 66 CO 0.05 0.41 0.03 -0.89 -3.33 0.00 0.00 175.10 171.37 1q38 s THR 67 N -0.05 0.13 0.14 5.04 2.01 -0.93 -4.93 115.64 117.05 1q38 s THR 67 Ca -0.02 0.25 -0.22 0.00 0.31 0.00 0.00 61.69 62.02 1q38 s THR 67 Cb -0.11 -0.32 -0.07 0.00 0.01 0.00 0.00 72.50 72.01 1q38 s THR 67 CO 0.02 0.20 0.68 -0.13 -0.69 0.00 0.00 174.62 174.70 1q38 s ARG 68 N 1.89 4.35 0.04 4.92 0.52 -1.26 -1.32 118.95 128.08 1q38 s ARG 68 Ca 0.02 0.92 -0.22 0.00 -0.52 0.00 0.00 55.73 55.93 1q38 s ARG 68 Cb -0.12 -3.17 0.05 0.00 0.52 0.00 0.00 34.95 32.22 1q38 s ARG 68 CO -0.04 0.56 0.51 -0.59 0.02 0.00 0.00 175.30 175.76 1q38 s PHE 69 N -1.21 -0.41 -0.11 -0.53 -0.12 -0.43 -5.01 117.98 110.15 1q38 s PHE 69 Ca 0.34 0.47 0.03 0.00 -0.05 0.00 0.00 56.93 57.72 1q38 s PHE 69 Cb -0.20 0.32 0.01 0.00 -0.63 0.00 0.00 43.02 42.51 1q38 s PHE 69 CO 0.22 -0.62 -0.20 -0.51 -0.05 0.00 0.00 175.22 174.06 1q38 s ASP 70 N -1.91 2.78 0.02 1.98 1.01 -1.26 -1.74 116.67 117.55 1q38 s ASP 70 Ca -0.06 -0.51 -0.10 0.00 0.71 0.00 0.00 52.55 52.59 1q38 s ASP 70 Cb -0.01 -1.27 0.01 0.00 1.01 0.00 0.00 42.92 42.65 1q38 s ASP 70 CO -0.01 0.09 0.20 0.72 0.21 0.00 0.00 175.17 176.38 1q38 s PHE 71 N 0.66 0.02 0.20 4.23 -0.71 -0.89 -4.43 117.98 117.05 1q38 s PHE 71 Ca -0.12 -0.17 -0.10 0.00 -1.04 0.00 0.00 56.93 55.50 1q38 s PHE 71 Cb -0.16 -0.02 -0.01 0.00 -1.21 0.00 0.00 43.02 41.62 1q38 s PHE 71 CO 0.03 -0.39 0.34 0.95 -1.34 0.00 0.00 175.22 174.81 1q38 s THR 72 N -2.12 0.03 0.26 -4.49 -4.23 -1.26 -2.45 115.64 101.39 1q38 s THR 72 Ca -0.09 -1.43 0.01 0.00 -1.18 0.00 0.00 61.69 59.00 1q38 s THR 72 Cb -0.03 -2.02 0.04 0.00 1.34 0.00 0.00 72.50 71.83 1q38 s THR 72 CO -0.01 -0.16 1.68 0.00 -0.54 0.00 0.00 174.62 175.58 1q38 h THR 73 N 2.44 1.28 -0.12 3.99 1.03 -1.86 -3.40 112.91 116.28 1q38 h THR 73 Ca -0.30 -1.39 -0.24 0.00 -0.01 0.00 0.00 66.41 64.46 1q38 h THR 73 Cb 1.24 1.44 -0.16 0.00 -1.07 0.00 0.00 68.15 69.60 1q38 h THR 73 CO 0.44 0.44 -0.52 1.07 -0.01 0.00 0.00 175.52 176.94 1q38 n THR 74 N -4.08 -0.04 0.08 0.00 5.66 -1.26 -5.01 114.28 109.64 1q38 n THR 74 Ca -0.01 -1.66 0.00 0.00 -3.05 0.00 0.00 64.05 59.33 1q38 n THR 74 Cb 0.45 1.31 0.00 0.00 -1.55 0.00 0.00 70.33 70.54 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 1.35 -1.44 -2.13 1.09 2.88 -1.26 -4.18 113.62 109.93 1q38 n SER 75 Ca 0.09 0.32 0.00 0.00 -1.33 0.00 0.00 58.87 57.95 1q38 n SER 75 Cb 0.64 1.64 0.00 0.00 -0.75 0.00 0.00 64.21 65.74 1q38 n SER 75 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1q38 n THR 76 N -2.78-11.94 -3.38 2.46 -2.24 -1.26 -4.92 114.28 90.21 1q38 n THR 76 Ca 0.00 2.97 -0.40 0.00 -2.27 0.00 0.00 64.05 64.35 1q38 n THR 76 Cb 0.00 -5.13 -0.09 0.00 -2.10 0.00 0.00 70.33 63.01 1q38 n THR 76 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1q38 s SER 77 N -0.48 6.23 -0.49 3.42 0.15 -1.26 -4.96 113.70 116.30 1q38 s SER 77 Ca 0.00 0.08 0.06 0.00 0.70 0.00 0.00 55.95 56.80 1q38 s SER 77 Cb 0.00 -2.21 0.23 0.00 -1.71 0.00 0.00 66.02 62.33 1q38 s SER 77 CO 0.00 -0.26 0.86 1.07 1.20 0.00 0.00 173.24 176.11 1q38 n THR 78 N 5.19 -0.02 0.00 6.45 5.66 -1.26 -4.79 114.28 125.50 1q38 n THR 78 Ca -0.08 -1.50 0.00 0.00 -3.05 0.00 0.00 64.05 59.41 1q38 n THR 78 Cb 0.50 1.34 0.00 0.00 -1.55 0.00 0.00 70.33 70.62 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 1.81 0.00 -3.99 1.09 -0.04 -1.26 -5.05 135.00 127.56 1q38 n PRO 79 Ca 0.11 0.36 -0.09 0.00 -0.04 0.00 0.00 63.50 63.83 1q38 n PRO 79 Cb 0.62 -0.93 -0.05 0.00 -0.04 0.00 0.00 33.50 33.10 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 -1.59 0.54 0.00 0.55 0.00 -1.26 -5.14 107.32 100.43 1q38 s GLY 80 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 44.72 43.84 1q38 s GLY 80 CO 0.00 -0.64 0.00 -1.26 0.00 0.00 0.00 173.10 171.20 1q38 n SER 81 N -0.37 -4.92 -2.78 1.64 2.88 -1.26 -4.85 113.62 103.96 1q38 n SER 81 Ca -0.02 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.32 1q38 n SER 81 Cb 0.62 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.09 1q38 n SER 81 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1q38 n ARG 82 N -1.62 -3.18 0.00 -1.46 1.74 -1.26 -4.80 116.66 106.09 1q38 n ARG 82 Ca 0.00 0.79 0.00 0.00 -0.77 0.00 0.00 57.85 57.87 1q38 n ARG 82 Cb 0.00 -5.52 0.00 0.00 -1.02 0.00 0.00 32.46 25.92 1q38 n ARG 82 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1q38 n SER 83 N -2.18 3.50 0.00 0.55 7.64 -1.26 -4.84 113.62 117.02 1q38 n SER 83 Ca -0.14 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.74 1q38 n SER 83 Cb 0.62 0.27 0.00 0.00 -1.01 0.00 0.00 64.21 64.09 1q38 n SER 83 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1q38 n HIS 84 N -1.79 0.00 -1.73 1.43 8.25 -1.26 -4.99 115.22 115.13 1q38 n HIS 84 Ca 0.00 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.22 1q38 n HIS 84 Cb 0.37 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.43 1q38 n HIS 84 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1q38 s HIS 85 N -0.64 1.33 0.00 4.41 5.04 -1.26 -4.73 115.29 119.44 1q38 s HIS 85 Ca 0.00 1.46 0.00 0.00 -1.54 0.00 0.00 55.06 54.98 1q38 s HIS 85 Cb 0.00 -3.68 0.00 0.00 0.04 0.00 0.00 32.58 28.94 1q38 s HIS 85 CO 0.00 -1.90 0.00 1.58 -2.34 0.00 0.00 174.74 172.08 1q38 n HIS 86 N 16.38 0.00 0.00 3.88 -0.00 -1.26 -4.94 115.22 129.28 1q38 n HIS 86 Ca 0.40 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.58 1q38 n HIS 86 Cb 0.48 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.35 1q38 n HIS 86 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1q38 n HIS 87 N 0.00 0.00 -3.52 1.57 8.25 -1.26 -4.54 115.22 115.71 1q38 n HIS 87 Ca 0.00 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.08 1q38 n HIS 87 Cb 0.00 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.02 1q38 n HIS 87 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1q38 s HIS 88 N 0.00 3.32 0.00 4.41 0.09 -1.26 -5.33 115.29 116.52 1q38 s HIS 88 Ca 0.00 0.37 0.00 0.00 -0.00 0.00 0.00 55.06 55.43 1q38 s HIS 88 Cb 0.00 -2.41 0.00 0.00 -0.00 0.00 0.00 32.58 30.17 1q38 s HIS 88 CO 0.00 -0.02 0.00 0.72 -0.00 0.00 0.00 174.74 175.44