#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 3.61 -0.33 0.03 1.81 -1.26 -4.85 118.95 117.96 1q38 s ARG 2 Ca 0.00 -2.22 -0.08 0.00 -1.72 0.00 0.00 55.73 51.71 1q38 s ARG 2 Cb 0.00 -4.60 0.20 0.00 -0.45 0.00 0.00 34.95 30.10 1q38 s ARG 2 CO 0.00 -1.46 1.07 0.20 -0.68 0.00 0.00 175.30 174.44 1q38 s GLY 3 N 2.67 -1.74 0.00 -3.53 0.00 -1.26 -5.03 107.32 98.43 1q38 s GLY 3 Ca 0.23 0.93 0.20 0.00 0.00 0.00 0.00 44.72 46.08 1q38 s GLY 3 CO -0.09 4.31 1.13 -1.26 0.00 0.00 0.00 173.10 177.19 1q38 n SER 4 N 3.13 0.56 -2.81 1.64 2.88 -1.26 -5.06 113.62 112.70 1q38 n SER 4 Ca 0.09 -2.00 -0.02 0.00 -1.33 0.00 0.00 58.87 55.61 1q38 n SER 4 Cb 0.64 -0.17 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 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 0.39 -7.83 -4.00 -3.46 4.13 -1.26 -5.00 115.26 98.23 1q38 n ASN 5 Ca -0.01 1.15 -0.31 0.00 1.68 0.00 0.00 54.58 57.09 1q38 n ASN 5 Cb 1.05 -4.88 -0.15 0.00 -1.54 0.00 0.00 39.78 34.26 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 -1.72 3.01 -0.02 5.41 0.00 -1.26 -5.08 121.76 122.09 1q38 s ALA 6 Ca 0.05 -2.75 -0.30 0.00 0.00 0.00 0.00 51.96 48.96 1q38 s ALA 6 Cb -0.01 -2.02 -0.08 0.00 0.00 0.00 0.00 23.12 21.01 1q38 s ALA 6 CO 0.71 -1.79 1.99 -2.14 0.00 0.00 0.00 175.76 174.53 1q38 s PRO 7 N 0.56 3.96 -0.40 0.00 0.02 -1.26 -4.95 135.00 132.92 1q38 s PRO 7 Ca 0.13 2.47 -0.23 0.00 0.02 0.00 0.00 61.00 63.38 1q38 s PRO 7 Cb -0.21 -4.19 0.02 0.00 0.02 0.00 0.00 34.50 30.14 1q38 s PRO 7 CO -0.06 -1.16 0.78 -0.65 -0.33 0.00 0.00 177.00 175.58 1q38 s GLN 8 N 4.78 3.61 0.51 5.54 -1.52 -1.26 -5.05 119.66 126.27 1q38 s GLN 8 Ca 0.89 0.14 -0.18 0.00 -1.95 0.00 0.00 55.36 54.26 1q38 s GLN 8 Cb -0.40 -3.86 -0.08 0.00 -0.22 0.00 0.00 33.01 28.45 1q38 s GLN 8 CO 0.40 -0.96 1.00 -1.25 -0.25 0.00 0.00 175.29 174.23 1q38 s PRO 9 N 3.17 3.84 0.38 2.91 0.04 -1.26 -4.94 135.00 139.15 1q38 s PRO 9 Ca 0.31 1.13 0.00 0.00 0.04 0.00 0.00 61.00 62.48 1q38 s PRO 9 Cb -0.13 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.30 1q38 s PRO 9 CO 0.19 -0.37 0.00 -1.13 0.04 0.00 0.00 177.00 175.74 1q38 n SER 10 N -1.34 -2.96 0.00 6.66 3.41 -1.26 -5.10 113.62 113.03 1q38 n SER 10 Ca 0.08 0.72 0.00 0.00 -0.26 0.00 0.00 58.87 59.40 1q38 n SER 10 Cb 0.53 2.84 0.00 0.00 -0.26 0.00 0.00 64.21 67.33 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 -3.33 -0.05 -3.32 7.33 8.25 -1.26 -5.12 115.22 117.73 1q38 n HIS 11 Ca 0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.10 1q38 n HIS 11 Cb 0.00 0.08 -0.06 0.00 1.12 0.00 0.00 29.99 31.13 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 -0.17 4.81 0.14 1.59 1.10 -1.26 -4.98 121.20 122.43 1q38 s ILE 12 Ca 0.00 0.94 -0.22 0.00 -0.51 0.00 0.00 60.65 60.86 1q38 s ILE 12 Cb 0.00 -3.77 -0.01 0.00 0.15 0.00 0.00 42.46 38.83 1q38 s ILE 12 CO 0.00 0.29 1.65 0.28 -2.11 0.00 0.00 174.94 175.05 1q38 h SER 13 N 3.70 -0.58 -3.51 4.50 0.02 -1.87 -3.38 113.55 112.44 1q38 h SER 13 Ca -0.49 0.10 0.07 0.00 -0.84 0.00 0.00 61.79 60.64 1q38 h SER 13 Cb 1.20 0.27 -0.25 0.00 0.14 0.00 0.00 62.40 63.75 1q38 h SER 13 CO 0.65 -0.23 0.51 -1.59 -1.14 0.00 0.00 176.83 175.03 1q38 s LYS 14 N -6.12 0.52 -0.14 3.45 -2.85 -1.04 -4.83 119.74 108.73 1q38 s LYS 14 Ca -0.15 0.40 -0.01 0.00 -1.00 0.00 0.00 55.97 55.22 1q38 s LYS 14 Cb 0.11 0.25 -0.02 0.00 -2.06 0.00 0.00 37.83 36.11 1q38 s LYS 14 CO 0.68 -0.11 -0.11 0.71 0.10 0.00 0.00 175.35 176.62 1q38 s TYR 15 N -0.29 2.86 -0.07 1.78 2.02 -1.03 -2.26 117.35 120.36 1q38 s TYR 15 Ca 0.01 -0.62 0.03 0.00 -0.37 0.00 0.00 57.07 56.13 1q38 s TYR 15 Cb -0.03 -1.88 -0.02 0.00 -0.40 0.00 0.00 41.96 39.62 1q38 s TYR 15 CO -0.04 -0.21 -0.14 0.42 -1.57 0.00 0.00 175.55 174.01 1q38 s ILE 16 N 0.44 3.06 -0.25 2.71 -1.09 -0.18 -0.52 121.20 125.38 1q38 s ILE 16 Ca -0.08 -0.71 -0.02 0.00 -2.23 0.00 0.00 60.65 57.61 1q38 s ILE 16 Cb -0.15 -2.22 0.03 0.00 -1.58 0.00 0.00 42.46 38.54 1q38 s ILE 16 CO 0.04 0.58 -0.05 -0.22 -1.23 0.00 0.00 174.94 174.05 1q38 s LEU 17 N -0.48 3.28 -0.14 2.97 2.96 -0.09 -0.98 118.68 126.20 1q38 s LEU 17 Ca 0.06 -0.93 -0.01 0.00 -0.22 0.00 0.00 54.13 53.04 1q38 s LEU 17 Cb -0.12 -1.67 -0.01 0.00 0.50 0.00 0.00 46.19 44.89 1q38 s LEU 17 CO 0.02 -0.14 -0.12 -0.13 -1.32 0.00 0.00 176.35 174.65 1q38 s ARG 18 N 1.31 3.37 0.09 1.98 0.52 -0.65 -1.62 118.95 123.96 1q38 s ARG 18 Ca -0.01 -0.68 -0.19 0.00 -0.52 0.00 0.00 55.73 54.34 1q38 s ARG 18 Cb -0.17 -2.68 0.04 0.00 0.52 0.00 0.00 34.95 32.66 1q38 s ARG 18 CO -0.04 0.15 0.45 1.67 0.02 0.00 0.00 175.30 177.55 1q38 s TRP 19 N 0.53 -0.30 0.16 -0.53 -2.14 -1.07 -0.05 118.94 115.53 1q38 s TRP 19 Ca -0.08 0.16 -0.22 0.00 2.66 0.00 0.00 56.10 58.62 1q38 s TRP 19 Cb -0.16 0.30 0.06 0.00 -3.10 0.00 0.00 33.47 30.57 1q38 s TRP 19 CO 0.04 -0.67 0.57 -0.98 -2.66 0.00 0.00 176.95 173.26 1q38 s ARG 20 N -3.12 1.26 0.09 3.25 1.70 0.77 -0.94 118.95 121.97 1q38 s ARG 20 Ca -0.01 -0.51 -0.32 0.00 -0.47 0.00 0.00 55.73 54.41 1q38 s ARG 20 Cb 0.00 0.57 -0.11 0.00 -0.57 0.00 0.00 34.95 34.84 1q38 s ARG 20 CO -0.07 -0.55 1.80 -2.30 -1.08 0.00 0.00 175.30 173.11 1q38 n PRO 21 N -0.36 2.58 0.07 3.89 -0.02 -1.26 -0.46 135.00 139.44 1q38 n PRO 21 Ca -0.17 0.94 -0.17 0.00 -2.02 0.00 0.00 63.50 62.09 1q38 n PRO 21 Cb 0.65 -2.80 -0.08 0.00 -0.02 0.00 0.00 33.50 31.24 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 8.24 0.47 0.02 -0.52 3.64 -1.68 -3.33 116.57 123.42 1q38 h LYS 22 Ca -0.47 -0.57 -0.31 0.00 -1.27 0.00 0.00 60.65 58.04 1q38 h LYS 22 Cb 1.24 0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 33.19 1q38 h LYS 22 CO 0.94 1.21 -1.78 0.27 -2.27 0.00 0.00 179.45 177.82 1q38 n ASN 23 N -3.74 1.11 -5.00 4.20 0.23 -1.25 -4.94 115.26 105.88 1q38 n ASN 23 Ca -0.09 0.37 -0.18 0.00 -0.53 0.00 0.00 54.58 54.15 1q38 n ASN 23 Cb 0.90 -0.21 0.01 0.00 -2.08 0.00 0.00 39.78 38.40 1q38 n ASN 23 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 1q38 s SER 24 N -6.27 5.68 -0.12 0.53 0.15 -1.25 -5.11 113.70 107.32 1q38 s SER 24 Ca -0.08 -0.27 0.01 0.00 0.70 0.00 0.00 55.95 56.31 1q38 s SER 24 Cb 0.08 -0.87 -0.01 0.00 -1.71 0.00 0.00 66.02 63.51 1q38 s SER 24 CO 0.81 -0.74 -0.17 0.54 1.20 0.00 0.00 173.24 174.89 1q38 s VAL 25 N -2.38 2.71 0.00 4.45 0.11 -1.26 -4.51 120.40 119.52 1q38 s VAL 25 Ca 0.53 -0.79 0.00 0.00 -2.93 0.00 0.00 61.98 58.79 1q38 s VAL 25 Cb -0.10 -2.10 0.00 0.00 -1.53 0.00 0.00 36.38 32.65 1q38 s VAL 25 CO 0.34 0.54 0.00 0.61 -3.33 0.00 0.00 175.10 173.25 1q38 n GLY 26 N 3.47 1.14 3.23 6.54 0.00 -1.26 -5.05 105.19 113.26 1q38 n GLY 26 Ca -0.18 0.40 -0.13 0.00 0.00 0.00 0.00 46.02 46.11 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 3.02 1.13 0.45 1.61 0.52 -1.26 -5.07 118.95 119.36 1q38 s ARG 27 Ca 0.00 -1.57 -0.06 0.00 -0.52 0.00 0.00 55.73 53.59 1q38 s ARG 27 Cb 0.00 -0.09 0.10 0.00 0.52 0.00 0.00 34.95 35.48 1q38 s ARG 27 CO 0.00 -0.22 0.62 0.91 0.02 0.00 0.00 175.30 176.63 1q38 n TRP 28 N -0.25 -3.71 -3.77 -0.53 7.02 -1.26 -4.52 117.44 110.42 1q38 n TRP 28 Ca -0.04 -0.70 -0.13 0.00 -1.02 0.00 0.00 57.50 55.61 1q38 n TRP 28 Cb 0.64 -0.47 -0.10 0.00 -2.42 0.00 0.00 31.31 28.96 1q38 n TRP 28 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1q38 s LYS 29 N -4.23 0.52 -0.10 -0.99 2.20 -0.11 -4.89 119.74 112.13 1q38 s LYS 29 Ca 0.37 0.10 0.04 0.00 -0.36 0.00 0.00 55.97 56.12 1q38 s LYS 29 Cb -0.01 0.24 -0.00 0.00 -1.51 0.00 0.00 37.83 36.54 1q38 s LYS 29 CO 0.25 -0.11 -0.24 -1.21 -0.36 0.00 0.00 175.35 173.69 1q38 s GLU 30 N -0.61 3.06 -0.17 4.03 2.02 -1.23 -2.59 118.70 123.21 1q38 s GLU 30 Ca -0.07 -0.87 -0.03 0.00 0.02 0.00 0.00 54.97 54.02 1q38 s GLU 30 Cb -0.04 -2.32 0.05 0.00 0.10 0.00 0.00 34.13 31.93 1q38 s GLU 30 CO 0.02 0.17 0.03 0.00 0.02 0.00 0.00 175.26 175.51 1q38 s ALA 31 N 0.36 0.91 0.08 5.21 0.00 -0.64 -4.90 121.76 122.79 1q38 s ALA 31 Ca -0.18 -0.57 -0.20 0.00 0.00 0.00 0.00 51.96 51.01 1q38 s ALA 31 Cb -0.18 -1.09 -0.07 0.00 0.00 0.00 0.00 23.12 21.78 1q38 s ALA 31 CO 0.08 -1.05 0.58 0.99 0.00 0.00 0.00 175.76 176.37 1q38 s THR 32 N 1.90 4.72 -0.15 0.00 2.01 -1.25 -0.91 115.64 121.96 1q38 s THR 32 Ca 0.00 1.23 -0.01 0.00 0.31 0.00 0.00 61.69 63.23 1q38 s THR 32 Cb -0.16 -3.91 0.04 0.00 0.01 0.00 0.00 72.50 68.48 1q38 s THR 32 CO -0.08 0.54 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.72 1q38 s ILE 33 N -1.13 0.94 -1.03 1.82 1.01 0.33 -4.95 121.20 118.18 1q38 s ILE 33 Ca 0.30 -0.45 -0.23 0.00 0.00 0.00 0.00 60.65 60.27 1q38 s ILE 33 Cb -0.20 -1.11 0.00 0.00 0.01 0.00 0.00 42.46 41.17 1q38 s ILE 33 CO 0.19 0.16 1.72 -2.84 0.00 0.00 0.00 174.94 174.17 1q38 s PRO 34 N 1.72 3.15 1.96 2.79 0.02 -1.26 -2.45 135.00 140.93 1q38 s PRO 34 Ca 0.02 -0.94 0.00 0.00 0.02 0.00 0.00 61.00 60.10 1q38 s PRO 34 Cb -0.14 -5.26 0.00 0.00 0.02 0.00 0.00 34.50 29.11 1q38 s PRO 34 CO -0.07 -2.83 0.00 0.41 -0.33 0.00 0.00 177.00 174.18 1q38 n GLY 35 N 6.58 1.37 3.00 0.52 0.00 -1.26 -4.21 105.19 111.18 1q38 n GLY 35 Ca 0.39 0.28 0.02 0.00 0.00 0.00 0.00 46.02 46.71 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 -0.92 0.03 1.61 2.46 -1.26 -4.93 115.29 112.28 1q38 s HIS 36 Ca 0.00 0.26 0.01 0.00 0.47 0.00 0.00 55.06 55.79 1q38 s HIS 36 Cb 0.00 0.16 -0.26 0.00 -0.13 0.00 0.00 32.58 32.36 1q38 s HIS 36 CO 0.00 -0.59 0.95 -0.07 -2.47 0.00 0.00 174.74 172.56 1q38 h LEU 37 N 6.45 0.27 0.00 8.88 4.07 -1.97 -3.50 115.31 129.52 1q38 h LEU 37 Ca -0.02 -0.35 0.00 0.00 0.08 0.00 0.00 57.88 57.59 1q38 h LEU 37 Cb 1.20 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.86 1q38 h LEU 37 CO -0.01 1.29 0.00 -0.46 -1.08 0.00 0.00 178.44 178.18 1q38 n ASN 38 N -3.39 0.00 -4.53 -0.43 2.04 -1.26 -5.10 115.26 102.59 1q38 n ASN 38 Ca -0.12 0.00 -0.43 0.00 -0.44 0.00 0.00 54.58 53.59 1q38 n ASN 38 Cb 1.02 0.00 -0.04 0.00 -2.53 0.00 0.00 39.78 38.23 1q38 n ASN 38 CO 0.00 0.00 0.00 -0.55 -0.44 0.00 0.00 177.26 176.27 1q38 s SER 39 N -4.00 6.37 -0.25 0.53 0.15 -1.26 -5.01 113.70 110.22 1q38 s SER 39 Ca 0.00 -0.27 -0.25 0.00 0.70 0.00 0.00 55.95 56.13 1q38 s SER 39 Cb 0.00 -2.44 -0.00 0.00 -1.71 0.00 0.00 66.02 61.87 1q38 s SER 39 CO 0.00 -1.19 0.85 -0.47 1.20 0.00 0.00 173.24 173.63 1q38 s TYR 40 N 3.90 3.29 -0.13 3.44 6.14 -1.26 -5.04 117.35 127.69 1q38 s TYR 40 Ca 0.31 1.12 0.02 0.00 0.64 0.00 0.00 57.07 59.17 1q38 s TYR 40 Cb -0.12 -3.12 0.01 0.00 0.42 0.00 0.00 41.96 39.16 1q38 s TYR 40 CO 0.20 -0.44 -0.18 0.99 0.64 0.00 0.00 175.55 176.76 1q38 s THR 41 N 2.92 1.76 -0.22 4.34 2.01 -1.26 -5.11 115.64 120.09 1q38 s THR 41 Ca 0.36 -0.79 -0.20 0.00 0.31 0.00 0.00 61.69 61.37 1q38 s THR 41 Cb -0.15 -1.59 -0.03 0.00 0.01 0.00 0.00 72.50 70.75 1q38 s THR 41 CO 0.08 0.49 0.59 -0.63 -0.69 0.00 0.00 174.62 174.47 1q38 s ILE 42 N 0.98 5.04 -0.30 1.82 1.01 -1.26 -5.04 121.20 123.45 1q38 s ILE 42 Ca -0.05 1.09 0.03 0.00 0.00 0.00 0.00 60.65 61.72 1q38 s ILE 42 Cb -0.15 -3.91 0.08 0.00 0.01 0.00 0.00 42.46 38.49 1q38 s ILE 42 CO -0.03 0.11 -0.03 -0.54 0.00 0.00 0.00 174.94 174.45 1q38 s LYS 43 N 2.00 1.87 0.00 2.79 1.02 -1.26 -4.78 119.74 121.37 1q38 s LYS 43 Ca 0.26 -1.61 0.00 0.00 0.02 0.00 0.00 55.97 54.64 1q38 s LYS 43 Cb -0.16 -3.05 0.00 0.00 -0.52 0.00 0.00 37.83 34.11 1q38 s LYS 43 CO 0.10 -0.75 0.00 0.41 -0.92 0.00 0.00 175.35 174.18 1q38 n GLY 44 N 4.34 0.16 0.00 -3.33 0.00 -1.26 -5.15 105.19 99.96 1q38 n GLY 44 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.63 0.99 7.99 -1.26 -5.08 117.00 116.01 1q38 n LEU 45 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 56.01 55.89 1q38 n LEU 45 Cb 0.08 0.00 -0.07 0.00 -0.11 0.00 0.00 43.42 43.32 1q38 n LEU 45 CO 0.00 0.00 0.65 -0.75 -1.51 0.00 0.00 177.39 175.78 1q38 s LYS 46 N 3.45 0.60 -0.72 3.23 2.20 -1.26 -4.88 119.74 122.37 1q38 s LYS 46 Ca 0.00 0.68 -0.25 0.00 -0.36 0.00 0.00 55.97 56.05 1q38 s LYS 46 Cb 0.00 0.29 -0.14 0.00 -1.51 0.00 0.00 37.83 36.47 1q38 s LYS 46 CO 0.00 -0.08 2.42 -2.30 -0.36 0.00 0.00 175.35 175.04 1q38 n PRO 47 N 2.27 0.63 0.00 4.03 -0.02 -1.26 -0.62 135.00 140.02 1q38 n PRO 47 Ca -0.13 -0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.03 1q38 n PRO 47 Cb 0.56 -3.06 0.00 0.00 -0.02 0.00 0.00 33.50 30.98 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 6.31 1.24 3.66 -1.23 0.00 -1.26 -4.95 105.19 108.97 1q38 n GLY 48 Ca 0.47 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.31 5.13 -0.25 1.61 1.01 0.21 -5.00 120.40 122.80 1q38 s VAL 49 Ca 0.00 0.88 -0.10 0.00 0.00 0.00 0.00 61.98 62.75 1q38 s VAL 49 Cb 0.00 -3.81 -0.05 0.00 0.00 0.00 0.00 36.38 32.52 1q38 s VAL 49 CO 0.00 0.19 0.15 -0.69 0.00 0.00 0.00 175.10 174.75 1q38 s VAL 50 N 1.62 5.19 -0.27 2.92 1.01 -1.26 -4.49 120.40 125.12 1q38 s VAL 50 Ca 0.22 0.12 -0.08 0.00 0.00 0.00 0.00 61.98 62.25 1q38 s VAL 50 Cb -0.15 -3.43 -0.02 0.00 0.00 0.00 0.00 36.38 32.78 1q38 s VAL 50 CO 0.09 0.32 0.09 -0.31 0.00 0.00 0.00 175.10 175.29 1q38 s TYR 51 N 1.31 3.12 0.38 5.22 1.51 -1.08 -1.86 117.35 125.94 1q38 s TYR 51 Ca 0.07 -0.55 -0.20 0.00 -1.01 0.00 0.00 57.07 55.38 1q38 s TYR 51 Cb -0.14 -2.27 -0.10 0.00 -0.11 0.00 0.00 41.96 39.34 1q38 s TYR 51 CO 0.06 -0.42 0.87 -1.83 -1.11 0.00 0.00 175.55 173.13 1q38 s GLU 52 N 1.60 4.20 0.03 -0.62 -1.05 0.39 -2.64 118.70 120.60 1q38 s GLU 52 Ca 0.05 0.99 -0.28 0.00 -0.15 0.00 0.00 54.97 55.59 1q38 s GLU 52 Cb -0.16 -2.35 0.10 0.00 -0.44 0.00 0.00 34.13 31.27 1q38 s GLU 52 CO 0.04 0.08 0.86 0.20 0.95 0.00 0.00 175.26 177.39 1q38 s GLY 53 N -2.12 -0.46 0.07 -3.83 0.00 -0.37 -0.16 107.32 100.45 1q38 s GLY 53 Ca 0.57 0.88 0.04 0.00 0.00 0.00 0.00 44.72 46.21 1q38 s GLY 53 CO 0.16 0.29 -0.11 -0.86 0.00 0.00 0.00 173.10 172.57 1q38 s GLN 54 N -3.20 0.76 -0.35 2.90 -2.07 0.92 0.05 119.66 118.67 1q38 s GLN 54 Ca 0.05 -0.98 -0.05 0.00 -1.82 0.00 0.00 55.36 52.56 1q38 s GLN 54 Cb -0.01 -0.59 0.06 0.00 -1.09 0.00 0.00 33.01 31.38 1q38 s GLN 54 CO -0.08 0.11 0.11 -1.17 -1.32 0.00 0.00 175.29 172.94 1q38 s LEU 55 N -1.95 4.46 -0.01 2.60 2.96 -0.26 -1.63 118.68 124.85 1q38 s LEU 55 Ca -0.01 -1.37 -0.16 0.00 -0.22 0.00 0.00 54.13 52.37 1q38 s LEU 55 Cb -0.07 -1.83 -0.06 0.00 0.50 0.00 0.00 46.19 44.73 1q38 s LEU 55 CO 0.01 -0.37 0.44 -0.63 -1.32 0.00 0.00 176.35 174.48 1q38 s ILE 56 N 1.32 5.01 -0.15 6.68 1.09 -0.16 -2.51 121.20 132.49 1q38 s ILE 56 Ca -0.00 0.91 0.02 0.00 -1.10 0.00 0.00 60.65 60.47 1q38 s ILE 56 Cb -0.21 -3.75 0.01 0.00 -1.06 0.00 0.00 42.46 37.45 1q38 s ILE 56 CO 0.01 0.53 -0.21 -0.94 -0.10 0.00 0.00 174.94 174.23 1q38 s SER 57 N -0.80 3.18 -0.24 3.58 1.04 0.26 -1.01 113.70 119.72 1q38 s SER 57 Ca 0.25 -0.60 -0.03 0.00 0.48 0.00 0.00 55.95 56.04 1q38 s SER 57 Cb -0.17 -1.47 0.01 0.00 0.10 0.00 0.00 66.02 64.49 1q38 s SER 57 CO 0.14 0.06 -0.05 -0.63 0.98 0.00 0.00 173.24 173.73 1q38 s ILE 58 N 0.96 3.17 0.71 -1.02 1.01 -0.96 -1.40 121.20 123.66 1q38 s ILE 58 Ca -0.03 -0.73 -0.05 0.00 0.00 0.00 0.00 60.65 59.83 1q38 s ILE 58 Cb -0.15 -2.51 0.08 0.00 0.01 0.00 0.00 42.46 39.89 1q38 s ILE 58 CO -0.05 0.32 1.00 -1.10 0.00 0.00 0.00 174.94 175.11 1q38 s GLN 59 N 1.41 2.05 0.49 2.79 -1.52 0.28 -2.50 119.66 122.66 1q38 s GLN 59 Ca 0.03 -0.46 0.27 0.00 -1.95 0.00 0.00 55.36 53.26 1q38 s GLN 59 Cb -0.15 -2.21 1.20 0.00 -0.22 0.00 0.00 33.01 31.63 1q38 s GLN 59 CO -0.04 -1.29 1.94 -0.56 -0.25 0.00 0.00 175.29 175.10 1q38 h GLN 60 N -0.58 0.00 -0.28 2.91 3.07 -1.95 -2.44 115.11 115.85 1q38 h GLN 60 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.31 1q38 h GLN 60 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.86 1q38 h GLN 60 CO 0.55 0.15 0.00 0.66 0.09 0.00 0.00 178.83 180.28 1q38 n TYR 61 N -3.40 0.35 0.00 0.06 4.02 -1.26 -5.08 117.16 111.86 1q38 n TYR 61 Ca -0.00 -0.21 0.00 0.00 -0.01 0.00 0.00 57.90 57.68 1q38 n TYR 61 Cb 0.34 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.66 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 1.25 0.27 1.13 2.72 0.00 -0.92 -5.13 105.19 104.51 1q38 n GLY 62 Ca 0.16 -1.62 0.14 0.00 0.00 0.00 0.00 46.02 44.70 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 0.00 -2.95 -3.18 1.61 8.25 -1.26 -0.55 115.22 117.14 1q38 n HIS 63 Ca 0.00 1.56 0.02 0.00 -0.26 0.00 0.00 57.72 59.03 1q38 n HIS 63 Cb 0.00 -2.68 -0.02 0.00 1.12 0.00 0.00 29.99 28.41 1q38 n HIS 63 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1q38 s GLN 64 N -3.12 0.53 -0.33 -0.41 -0.21 -1.23 -4.20 119.66 110.69 1q38 s GLN 64 Ca 0.00 0.89 -0.12 0.00 0.02 0.00 0.00 55.36 56.15 1q38 s GLN 64 Cb 0.00 0.36 -0.02 0.00 1.00 0.00 0.00 33.01 34.35 1q38 s GLN 64 CO 0.00 -0.66 0.23 -2.00 -2.12 0.00 0.00 175.29 170.74 1q38 s GLU 65 N 2.80 3.58 -0.03 2.91 -6.30 -0.50 -4.81 118.70 116.36 1q38 s GLU 65 Ca 0.19 -0.58 0.06 0.00 -2.50 0.00 0.00 54.97 52.13 1q38 s GLU 65 Cb -0.15 -3.77 -0.01 0.00 0.00 0.00 0.00 34.13 30.20 1q38 s GLU 65 CO -0.21 -0.39 -0.21 0.08 0.02 0.00 0.00 175.26 174.55 1q38 s VAL 66 N 1.73 1.69 -0.04 3.70 1.01 -1.23 0.91 120.40 128.16 1q38 s VAL 66 Ca 0.06 -0.89 -0.00 0.00 0.00 0.00 0.00 61.98 61.14 1q38 s VAL 66 Cb -0.17 -1.42 0.03 0.00 0.00 0.00 0.00 36.38 34.82 1q38 s VAL 66 CO 0.11 0.48 0.01 -0.89 0.00 0.00 0.00 175.10 174.81 1q38 s THR 67 N -0.31 0.16 0.25 3.92 2.01 -1.04 -4.90 115.64 115.72 1q38 s THR 67 Ca 0.03 0.17 -0.21 0.00 0.31 0.00 0.00 61.69 61.99 1q38 s THR 67 Cb -0.10 -0.30 -0.09 0.00 0.01 0.00 0.00 72.50 72.02 1q38 s THR 67 CO 0.01 0.18 0.78 -0.13 -0.69 0.00 0.00 174.62 174.77 1q38 s ARG 68 N 1.47 4.33 0.09 4.92 0.52 -1.26 -1.10 118.95 127.93 1q38 s ARG 68 Ca -0.03 0.99 -0.21 0.00 -0.52 0.00 0.00 55.73 55.95 1q38 s ARG 68 Cb -0.13 -2.85 0.05 0.00 0.52 0.00 0.00 34.95 32.54 1q38 s ARG 68 CO -0.03 0.36 0.50 -0.59 0.02 0.00 0.00 175.30 175.57 1q38 s PHE 69 N -1.55 -0.39 -0.16 -0.53 -0.12 0.11 -4.97 117.98 110.37 1q38 s PHE 69 Ca 0.45 0.29 0.01 0.00 -0.05 0.00 0.00 56.93 57.62 1q38 s PHE 69 Cb -0.17 0.36 0.03 0.00 -0.63 0.00 0.00 43.02 42.60 1q38 s PHE 69 CO 0.22 -0.70 -0.15 0.16 -0.05 0.00 0.00 175.22 174.70 1q38 s ASP 70 N -2.33 2.90 0.03 1.98 1.47 -1.26 -1.24 116.67 118.21 1q38 s ASP 70 Ca -0.02 -0.59 -0.04 0.00 1.18 0.00 0.00 52.55 53.08 1q38 s ASP 70 Cb -0.00 -1.25 -0.01 0.00 -0.34 0.00 0.00 42.92 41.32 1q38 s ASP 70 CO -0.06 -0.06 0.06 0.72 0.68 0.00 0.00 175.17 176.50 1q38 s PHE 71 N 1.43 0.22 0.20 2.11 -0.71 -1.08 -4.68 117.98 115.46 1q38 s PHE 71 Ca 0.04 -0.49 -0.08 0.00 -1.04 0.00 0.00 56.93 55.35 1q38 s PHE 71 Cb -0.13 -0.16 -0.01 0.00 -1.21 0.00 0.00 43.02 41.50 1q38 s PHE 71 CO -0.11 -0.30 0.31 0.95 -1.34 0.00 0.00 175.22 174.72 1q38 s THR 72 N -2.19 0.03 0.12 -4.49 -4.23 -1.20 -2.62 115.64 101.07 1q38 s THR 72 Ca -0.09 -1.54 -0.24 0.00 -1.18 0.00 0.00 61.69 58.64 1q38 s THR 72 Cb -0.04 -2.10 -0.05 0.00 1.34 0.00 0.00 72.50 71.65 1q38 s THR 72 CO -0.03 -0.15 1.35 0.35 -0.54 0.00 0.00 174.62 175.60 1q38 n THR 73 N -0.27 -0.53 0.00 3.99 -2.24 -1.26 -4.16 114.28 109.80 1q38 n THR 73 Ca -0.04 2.11 0.00 0.00 -2.27 0.00 0.00 64.05 63.85 1q38 n THR 73 Cb 0.63 -2.63 0.00 0.00 -2.10 0.00 0.00 70.33 66.23 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 -4.81 0.00 -1.99 4.28 5.66 -1.26 -5.04 114.28 111.12 1q38 n THR 74 Ca 0.02 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.73 1q38 n THR 74 Cb 0.20 -0.01 0.14 0.00 -1.55 0.00 0.00 70.33 69.11 1q38 n THR 74 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1q38 s SER 75 N -0.97 3.82 -0.29 1.09 0.15 -1.26 -5.03 113.70 111.22 1q38 s SER 75 Ca 0.00 0.41 -0.21 0.00 0.70 0.00 0.00 55.95 56.85 1q38 s SER 75 Cb 0.00 -0.68 0.13 0.00 -1.71 0.00 0.00 66.02 63.76 1q38 s SER 75 CO 0.00 -2.29 1.03 0.42 1.20 0.00 0.00 173.24 173.60 1q38 s THR 76 N -3.67 0.00 0.00 6.45 -4.23 -1.26 -3.24 115.64 109.69 1q38 s THR 76 Ca 0.68 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 61.19 1q38 s THR 76 Cb -0.07 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.77 1q38 s THR 76 CO 0.50 0.00 0.30 -0.24 -0.54 0.00 0.00 174.62 174.65 1q38 n SER 77 N 2.79 0.00 -2.98 3.99 2.88 -1.26 -5.01 113.62 114.03 1q38 n SER 77 Ca -0.15 0.33 -0.11 0.00 -1.33 0.00 0.00 58.87 57.61 1q38 n SER 77 Cb 0.57 -0.06 0.01 0.00 -0.75 0.00 0.00 64.21 63.98 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 -0.67 -9.06 0.17 2.46 -1.04 -1.26 -4.85 114.28 100.02 1q38 n THR 78 Ca 0.00 0.94 0.12 0.00 -2.04 0.00 0.00 64.05 63.08 1q38 n THR 78 Cb 0.00 -6.06 0.66 0.00 -1.82 0.00 0.00 70.33 63.11 1q38 n THR 78 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1q38 h PRO 79 N 2.45 0.00 0.00 -2.82 0.13 -1.98 -3.44 132.00 126.34 1q38 h PRO 79 Ca -0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 1q38 h PRO 79 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 1q38 h PRO 79 CO 0.16 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.34 1q38 n GLY 80 N -1.57 0.17 1.61 1.56 0.00 -1.26 -5.11 105.19 100.58 1q38 n GLY 80 Ca 0.01 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1q38 n GLY 80 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1q38 n SER 81 N 0.00 -0.38 -3.97 1.61 2.88 -1.26 -5.05 113.62 107.44 1q38 n SER 81 Ca 0.00 0.09 -0.31 0.00 -1.33 0.00 0.00 58.87 57.32 1q38 n SER 81 Cb 0.00 0.72 -0.11 0.00 -0.75 0.00 0.00 64.21 64.07 1q38 n SER 81 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1q38 s ARG 82 N -1.11 2.52 0.00 -1.46 1.70 -1.26 -4.92 118.95 114.43 1q38 s ARG 82 Ca 0.00 -3.08 0.00 0.00 -0.47 0.00 0.00 55.73 52.18 1q38 s ARG 82 Cb 0.00 -3.54 0.00 0.00 -0.57 0.00 0.00 34.95 30.84 1q38 s ARG 82 CO 0.00 -1.23 0.00 0.45 -1.08 0.00 0.00 175.30 173.44 1q38 n SER 83 N 2.47 0.00 -3.88 -2.89 2.88 -1.26 -5.00 113.62 105.94 1q38 n SER 83 Ca 0.15 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.39 1q38 n SER 83 Cb 0.35 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.66 1q38 n SER 83 CO 0.00 0.00 0.00 -1.38 -1.23 0.00 0.00 175.04 172.43 1q38 s HIS 84 N 0.00 2.79 0.00 0.66 -3.43 -1.26 -4.89 115.29 109.16 1q38 s HIS 84 Ca 0.00 -2.50 0.00 0.00 -0.80 0.00 0.00 55.06 51.76 1q38 s HIS 84 Cb 0.00 -2.37 0.00 0.00 -1.43 0.00 0.00 32.58 28.78 1q38 s HIS 84 CO 0.00 -0.89 0.00 1.58 -2.00 0.00 0.00 174.74 173.43 1q38 n HIS 85 N 4.30 -0.70 -3.63 0.38 -0.00 -1.26 -5.16 115.22 109.15 1q38 n HIS 85 Ca 0.02 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.63 1q38 n HIS 85 Cb 0.40 0.14 -0.07 0.00 -0.00 0.00 0.00 29.99 30.47 1q38 n HIS 85 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 1q38 s HIS 86 N -0.45 -0.60 -1.23 1.57 5.65 -1.26 -5.08 115.29 113.89 1q38 s HIS 86 Ca 0.00 1.44 -0.19 0.00 0.25 0.00 0.00 55.06 56.55 1q38 s HIS 86 Cb 0.00 0.33 0.07 0.00 -1.18 0.00 0.00 32.58 31.80 1q38 s HIS 86 CO 0.00 -0.31 1.67 -1.58 -0.65 0.00 0.00 174.74 173.87 1q38 s HIS 87 N 0.17 2.72 0.13 3.88 2.46 -1.26 -4.88 115.29 118.51 1q38 s HIS 87 Ca 0.01 -1.44 0.01 0.00 0.47 0.00 0.00 55.06 54.12 1q38 s HIS 87 Cb -0.05 -4.74 -0.00 0.00 -0.13 0.00 0.00 32.58 27.66 1q38 s HIS 87 CO -0.02 -1.84 0.14 0.72 -2.47 0.00 0.00 174.74 171.27 1q38 n HIS 88 N 8.51 -0.52 1.04 3.88 8.25 -1.26 -5.29 115.22 129.83 1q38 n HIS 88 Ca 0.45 -0.99 0.08 0.00 -0.26 0.00 0.00 57.72 57.01 1q38 n HIS 88 Cb 0.47 0.15 0.49 0.00 1.12 0.00 0.00 29.99 32.23 1q38 n HIS 88 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59