#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 1.47 0.00 3.17 1.70 -1.26 -5.10 118.95 118.93 1q38 s ARG 2 Ca 0.00 -1.12 0.00 0.00 -0.47 0.00 0.00 55.73 54.14 1q38 s ARG 2 Cb 0.00 -1.72 0.00 0.00 -0.57 0.00 0.00 34.95 32.66 1q38 s ARG 2 CO 0.00 0.43 0.00 0.41 -1.08 0.00 0.00 175.30 175.06 1q38 n GLY 3 N 1.48 4.54 1.00 3.88 0.00 -1.26 -5.03 105.19 109.80 1q38 n GLY 3 Ca -0.18 -1.14 0.04 0.00 0.00 0.00 0.00 46.02 44.74 1q38 n GLY 3 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1q38 n SER 4 N 0.00 0.97 -2.23 1.61 7.64 -1.26 -5.09 113.62 115.26 1q38 n SER 4 Ca 0.00 -2.39 0.00 0.00 1.01 0.00 0.00 58.87 57.49 1q38 n SER 4 Cb 0.00 -0.32 0.00 0.00 -1.01 0.00 0.00 64.21 62.88 1q38 n SER 4 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1q38 n ASN 5 N -0.04 -0.40 -3.20 6.43 4.13 -1.26 -5.10 115.26 115.83 1q38 n ASN 5 Ca 0.07 -0.77 0.00 0.00 1.68 0.00 0.00 54.58 55.56 1q38 n ASN 5 Cb 0.92 0.00 -0.02 0.00 -1.54 0.00 0.00 39.78 39.14 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 -3.59 -2.02 -2.00 5.41 0.00 -1.26 -5.01 121.76 113.29 1q38 s ALA 6 Ca 0.00 1.04 0.11 0.00 0.00 0.00 0.00 51.96 53.11 1q38 s ALA 6 Cb 0.00 -2.30 0.66 0.00 0.00 0.00 0.00 23.12 21.47 1q38 s ALA 6 CO 0.00 -1.67 1.14 -0.35 0.00 0.00 0.00 175.76 174.88 1q38 n PRO 7 N 5.40 0.60 -3.64 0.00 -0.04 -1.26 -4.62 135.00 131.46 1q38 n PRO 7 Ca 0.02 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.09 1q38 n PRO 7 Cb 0.52 -1.28 -0.11 0.00 -0.04 0.00 0.00 33.50 32.58 1q38 n PRO 7 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1q38 s GLN 8 N -2.00 3.15 0.28 0.54 -0.21 -1.26 -4.81 119.66 115.35 1q38 s GLN 8 Ca 0.16 -0.85 0.15 0.00 0.02 0.00 0.00 55.36 54.84 1q38 s GLN 8 Cb 0.08 -3.62 0.07 0.00 1.00 0.00 0.00 33.01 30.53 1q38 s GLN 8 CO 0.13 -0.52 1.44 -1.35 -2.12 0.00 0.00 175.29 172.87 1q38 h PRO 9 N 8.38 0.00 -1.88 2.91 0.11 -1.82 -3.41 132.00 136.29 1q38 h PRO 9 Ca -0.30 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 65.45 1q38 h PRO 9 Cb 1.13 0.00 -0.30 0.00 0.11 0.00 0.00 31.00 31.94 1q38 h PRO 9 CO 0.63 0.49 -0.69 -1.12 -0.21 0.00 0.00 178.00 177.11 1q38 s SER 10 N -6.45 0.88 0.00 -2.05 0.01 -1.26 -5.05 113.70 99.78 1q38 s SER 10 Ca 0.04 -1.71 0.00 0.00 1.31 0.00 0.00 55.95 55.59 1q38 s SER 10 Cb 0.07 0.62 0.00 0.00 0.21 0.00 0.00 66.02 66.93 1q38 s SER 10 CO 0.74 -0.23 0.00 1.41 0.41 0.00 0.00 173.24 175.58 1q38 n HIS 11 N 4.01 0.00 -2.67 2.43 8.25 -1.26 -4.34 115.22 121.64 1q38 n HIS 11 Ca 0.14 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.26 1q38 n HIS 11 Cb 0.47 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.52 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 4.14 0.13 1.59 2.07 -1.26 -4.84 121.20 123.04 1q38 s ILE 12 Ca 0.00 1.31 -0.19 0.00 -1.41 0.00 0.00 60.65 60.36 1q38 s ILE 12 Cb 0.00 -3.54 -0.02 0.00 0.13 0.00 0.00 42.46 39.03 1q38 s ILE 12 CO 0.00 -0.31 1.72 -1.28 -1.91 0.00 0.00 174.94 173.16 1q38 h SER 13 N 1.69 -0.07 -3.99 4.50 0.87 -1.84 -3.37 113.55 111.35 1q38 h SER 13 Ca -0.49 0.05 0.04 0.00 -1.23 0.00 0.00 61.79 60.16 1q38 h SER 13 Cb 1.20 0.08 -0.23 0.00 -0.44 0.00 0.00 62.40 63.01 1q38 h SER 13 CO 0.60 -0.00 0.41 -1.59 -0.53 0.00 0.00 176.83 175.72 1q38 s LYS 14 N -6.19 0.68 -0.07 2.24 0.00 -1.07 -4.45 119.74 110.88 1q38 s LYS 14 Ca -0.13 0.38 -0.04 0.00 0.00 0.00 0.00 55.97 56.18 1q38 s LYS 14 Cb 0.11 0.32 -0.04 0.00 0.00 0.00 0.00 37.83 38.22 1q38 s LYS 14 CO 0.69 -0.17 0.11 0.71 0.00 0.00 0.00 175.35 176.70 1q38 s TYR 15 N -0.58 3.46 -0.01 1.78 2.02 -0.50 -2.19 117.35 121.32 1q38 s TYR 15 Ca -0.02 0.38 0.05 0.00 -0.37 0.00 0.00 57.07 57.12 1q38 s TYR 15 Cb -0.02 -1.86 -0.03 0.00 -0.40 0.00 0.00 41.96 39.65 1q38 s TYR 15 CO 0.01 0.64 -0.16 0.42 -1.57 0.00 0.00 175.55 174.89 1q38 s ILE 16 N -1.08 2.92 -0.18 2.71 -1.09 0.13 -0.18 121.20 124.42 1q38 s ILE 16 Ca 0.18 -0.93 0.00 0.00 -2.23 0.00 0.00 60.65 57.67 1q38 s ILE 16 Cb -0.12 -2.17 0.04 0.00 -1.58 0.00 0.00 42.46 38.63 1q38 s ILE 16 CO 0.08 0.48 -0.08 -0.22 -1.23 0.00 0.00 174.94 173.97 1q38 s LEU 17 N -1.03 1.92 -0.04 2.97 0.20 0.36 -0.71 118.68 122.35 1q38 s LEU 17 Ca 0.13 -0.74 0.07 0.00 0.69 0.00 0.00 54.13 54.27 1q38 s LEU 17 Cb -0.11 -1.08 -0.01 0.00 -0.43 0.00 0.00 46.19 44.56 1q38 s LEU 17 CO 0.03 -0.15 -0.24 -0.13 -0.29 0.00 0.00 176.35 175.56 1q38 s ARG 18 N 1.51 2.21 0.13 1.98 0.52 -0.87 -0.64 118.95 123.79 1q38 s ARG 18 Ca 0.00 -0.88 -0.20 0.00 -0.52 0.00 0.00 55.73 54.14 1q38 s ARG 18 Cb -0.15 -2.01 0.05 0.00 0.52 0.00 0.00 34.95 33.36 1q38 s ARG 18 CO -0.08 0.46 0.50 1.67 0.02 0.00 0.00 175.30 177.87 1q38 s TRP 19 N -0.39 -0.37 0.10 -0.53 -2.14 -1.05 -0.35 118.94 114.21 1q38 s TRP 19 Ca 0.04 0.14 -0.23 0.00 2.66 0.00 0.00 56.10 58.70 1q38 s TRP 19 Cb -0.11 0.40 0.06 0.00 -3.10 0.00 0.00 33.47 30.72 1q38 s TRP 19 CO 0.01 -0.76 0.57 -0.98 -2.66 0.00 0.00 176.95 173.13 1q38 s ARG 20 N -3.65 1.17 -0.22 3.25 1.70 -0.26 -0.77 118.95 120.16 1q38 s ARG 20 Ca 0.01 -0.34 -0.29 0.00 -0.47 0.00 0.00 55.73 54.64 1q38 s ARG 20 Cb 0.00 0.54 -0.06 0.00 -0.57 0.00 0.00 34.95 34.86 1q38 s ARG 20 CO -0.11 -0.47 2.20 -2.30 -1.08 0.00 0.00 175.30 173.54 1q38 n PRO 21 N -0.01 1.91 0.19 3.89 -0.02 -1.26 -1.95 135.00 137.75 1q38 n PRO 21 Ca -0.17 0.54 0.04 0.00 -2.02 0.00 0.00 63.50 61.89 1q38 n PRO 21 Cb 0.63 -3.12 0.39 0.00 -0.02 0.00 0.00 33.50 31.38 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 14.39 0.00 0.00 -0.52 3.11 -1.67 -3.24 116.57 128.64 1q38 h LYS 22 Ca -0.40 0.00 -0.38 0.00 -2.81 0.00 0.00 60.65 57.06 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 0.35 -2.42 0.09 -2.81 0.00 0.00 179.45 175.63 1q38 n ASN 23 N -3.89 1.25 -1.56 4.20 4.13 -1.24 -5.02 115.26 113.13 1q38 n ASN 23 Ca -0.01 -0.08 0.00 0.00 1.68 0.00 0.00 54.58 56.16 1q38 n ASN 23 Cb 0.42 0.15 0.00 0.00 -1.54 0.00 0.00 39.78 38.81 1q38 n ASN 23 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1q38 n SER 24 N -3.05 0.42 -4.30 6.41 7.64 -1.22 -5.09 113.62 114.42 1q38 n SER 24 Ca -0.40 -0.78 -0.21 0.00 1.01 0.00 0.00 58.87 58.49 1q38 n SER 24 Cb 1.05 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 64.14 1q38 n SER 24 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1q38 s VAL 25 N 0.85 1.67 0.00 0.44 0.11 -1.26 -4.51 120.40 117.70 1q38 s VAL 25 Ca 0.00 -1.81 0.00 0.00 -2.93 0.00 0.00 61.98 57.24 1q38 s VAL 25 Cb 0.00 -1.72 0.00 0.00 -1.53 0.00 0.00 36.38 33.13 1q38 s VAL 25 CO 0.00 -0.31 0.00 0.61 -3.33 0.00 0.00 175.10 172.07 1q38 n GLY 26 N 0.46 0.00 1.41 6.54 0.00 -1.26 -4.92 105.19 107.42 1q38 n GLY 26 Ca -0.15 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.06 1q38 n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1q38 n ARG 27 N 0.00 -2.95 -0.74 1.61 1.74 -1.26 -4.93 116.66 110.14 1q38 n ARG 27 Ca 0.00 2.07 -0.06 0.00 -0.77 0.00 0.00 57.85 59.09 1q38 n ARG 27 Cb 0.00 -3.55 0.04 0.00 -1.02 0.00 0.00 32.46 27.93 1q38 n ARG 27 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 1q38 n TRP 28 N -4.22 -3.67 -3.80 -1.55 7.02 -1.26 -4.50 117.44 105.46 1q38 n TRP 28 Ca -0.01 -0.34 -0.11 0.00 -1.02 0.00 0.00 57.50 56.01 1q38 n TRP 28 Cb 0.65 -0.21 -0.08 0.00 -2.42 0.00 0.00 31.31 29.25 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 -3.39 0.75 -0.02 -0.99 1.02 0.05 -4.91 119.74 112.24 1q38 s LYS 29 Ca 0.17 -0.56 0.03 0.00 0.02 0.00 0.00 55.97 55.63 1q38 s LYS 29 Cb -0.01 0.32 -0.00 0.00 -0.52 0.00 0.00 37.83 37.62 1q38 s LYS 29 CO 0.12 -0.23 -0.11 -1.21 -0.92 0.00 0.00 175.35 173.00 1q38 s GLU 30 N -2.54 1.00 -0.16 1.68 2.02 -1.25 -2.55 118.70 116.91 1q38 s GLU 30 Ca -0.05 -0.39 -0.04 0.00 0.02 0.00 0.00 54.97 54.51 1q38 s GLU 30 Cb -0.01 -0.94 0.06 0.00 0.10 0.00 0.00 34.13 33.34 1q38 s GLU 30 CO -0.03 0.20 0.12 0.00 0.02 0.00 0.00 175.26 175.57 1q38 s ALA 31 N -0.09 0.19 -0.17 5.21 0.00 0.18 -4.93 121.76 122.14 1q38 s ALA 31 Ca 0.01 -0.05 -0.11 0.00 0.00 0.00 0.00 51.96 51.81 1q38 s ALA 31 Cb -0.06 -1.04 -0.05 0.00 0.00 0.00 0.00 23.12 21.97 1q38 s ALA 31 CO 0.00 -1.06 0.20 0.99 0.00 0.00 0.00 175.76 175.89 1q38 s THR 32 N 2.20 5.37 -0.24 0.00 2.01 -1.26 -0.49 115.64 123.24 1q38 s THR 32 Ca 0.04 0.34 -0.02 0.00 0.31 0.00 0.00 61.69 62.35 1q38 s THR 32 Cb -0.15 -3.53 0.08 0.00 0.01 0.00 0.00 72.50 68.90 1q38 s THR 32 CO -0.09 0.44 0.07 -0.63 -0.69 0.00 0.00 174.62 173.72 1q38 s ILE 33 N 0.24 0.53 -0.63 1.82 1.09 0.74 -4.94 121.20 120.05 1q38 s ILE 33 Ca 0.12 -0.80 -0.26 0.00 -1.10 0.00 0.00 60.65 58.61 1q38 s ILE 33 Cb -0.12 -1.19 -0.11 0.00 -1.06 0.00 0.00 42.46 39.98 1q38 s ILE 33 CO 0.01 -0.40 2.46 -2.65 -0.10 0.00 0.00 174.94 174.25 1q38 n PRO 34 N 5.03 0.78 -1.66 2.79 -0.02 -1.26 -1.41 135.00 139.23 1q38 n PRO 34 Ca -0.07 -0.12 -0.12 0.00 -2.02 0.00 0.00 63.50 61.17 1q38 n PRO 34 Cb 0.45 -3.11 -0.04 0.00 -0.02 0.00 0.00 33.50 30.78 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 6.18 0.68 2.68 -1.23 0.00 -1.26 -3.74 105.19 108.50 1q38 n GLY 35 Ca 0.44 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.41 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 -2.25 -3.86 0.32 1.61 -0.00 -1.06 -4.83 115.22 105.15 1q38 n HIS 36 Ca -0.13 2.19 0.12 0.00 0.46 0.00 0.00 57.72 60.36 1q38 n HIS 36 Cb 0.46 -3.55 0.19 0.00 -0.12 0.00 0.00 29.99 26.97 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 4.13 0.00 0.00 0.27 -0.00 -1.88 -3.49 115.31 114.34 1q38 h LEU 37 Ca -0.44 -0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.42 1q38 h LEU 37 Cb 1.01 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.67 1q38 h LEU 37 CO 0.02 0.01 0.00 -0.46 -0.00 0.00 0.00 178.44 178.01 1q38 n ASN 38 N -2.75 0.00 -4.58 0.17 2.04 -1.26 -5.10 115.26 103.78 1q38 n ASN 38 Ca 0.04 -0.32 -0.42 0.00 -0.44 0.00 0.00 54.58 53.44 1q38 n ASN 38 Cb 0.50 0.00 -0.03 0.00 -2.53 0.00 0.00 39.78 37.73 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 1.04 6.21 -0.37 0.53 1.04 -1.26 -4.97 113.70 115.92 1q38 s SER 39 Ca 0.00 0.26 -0.06 0.00 0.48 0.00 0.00 55.95 56.63 1q38 s SER 39 Cb 0.00 -2.55 0.06 0.00 0.10 0.00 0.00 66.02 63.64 1q38 s SER 39 CO 0.00 -1.65 0.15 -0.47 0.98 0.00 0.00 173.24 172.25 1q38 s TYR 40 N 5.77 3.34 0.03 5.02 6.14 -1.26 -5.08 117.35 131.30 1q38 s TYR 40 Ca 0.50 -1.70 0.07 0.00 0.64 0.00 0.00 57.07 56.58 1q38 s TYR 40 Cb -0.10 -2.61 -0.03 0.00 0.42 0.00 0.00 41.96 39.64 1q38 s TYR 40 CO 0.25 -0.82 -0.21 0.99 0.64 0.00 0.00 175.55 176.41 1q38 s THR 41 N 1.34 2.58 -0.19 4.34 2.01 -1.26 -5.12 115.64 119.33 1q38 s THR 41 Ca 0.01 -1.20 -0.08 0.00 0.31 0.00 0.00 61.69 60.73 1q38 s THR 41 Cb -0.21 -2.04 -0.04 0.00 0.01 0.00 0.00 72.50 70.21 1q38 s THR 41 CO 0.01 0.39 0.08 -0.63 -0.69 0.00 0.00 174.62 173.78 1q38 s ILE 42 N -0.85 4.93 0.01 1.82 1.09 -1.26 -5.10 121.20 121.84 1q38 s ILE 42 Ca 0.13 0.02 0.06 0.00 -1.10 0.00 0.00 60.65 59.76 1q38 s ILE 42 Cb -0.10 -3.23 -0.02 0.00 -1.06 0.00 0.00 42.46 38.05 1q38 s ILE 42 CO 0.03 0.45 -0.18 -0.54 -0.10 0.00 0.00 174.94 174.60 1q38 s LYS 43 N 0.45 1.34 0.00 2.79 3.01 -1.26 -4.88 119.74 121.19 1q38 s LYS 43 Ca 0.04 -0.71 0.00 0.00 -1.01 0.00 0.00 55.97 54.30 1q38 s LYS 43 Cb -0.12 -1.34 0.00 0.00 -1.01 0.00 0.00 37.83 35.36 1q38 s LYS 43 CO 0.00 0.36 0.00 0.41 0.51 0.00 0.00 175.35 176.63 1q38 n GLY 44 N 2.38 0.45 2.41 -3.33 0.00 -1.26 -5.11 105.19 100.73 1q38 n GLY 44 Ca -0.16 -0.42 -0.27 0.00 0.00 0.00 0.00 46.02 45.18 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 0.13 -3.32 0.99 4.77 -1.26 -5.05 117.00 113.27 1q38 n LEU 45 Ca 0.00 -4.55 -0.43 0.00 -0.03 0.00 0.00 56.01 51.00 1q38 n LEU 45 Cb 0.00 0.38 -0.06 0.00 -2.33 0.00 0.00 43.42 41.42 1q38 n LEU 45 CO 0.00 1.89 0.40 1.17 -1.33 0.00 0.00 177.39 179.52 1q38 n LYS 46 N 2.44 0.00 -0.40 3.23 4.81 -1.26 -4.12 118.16 122.86 1q38 n LYS 46 Ca 0.27 0.00 -0.28 0.00 -0.87 0.00 0.00 58.31 57.44 1q38 n LYS 46 Cb 0.47 -1.09 0.24 0.00 0.02 0.00 0.00 35.03 34.68 1q38 n LYS 46 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1q38 n PRO 47 N 1.09 -3.41 0.00 1.64 -0.02 -1.26 -3.86 135.00 129.18 1q38 n PRO 47 Ca 0.15 -1.00 0.00 0.00 -2.02 0.00 0.00 63.50 60.63 1q38 n PRO 47 Cb 0.06 -1.86 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 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 1.82 2.44 3.32 -1.23 0.00 -1.26 -4.97 105.19 105.30 1q38 n GLY 48 Ca 0.07 -0.27 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.05 2.88 0.21 1.61 0.11 -1.25 -5.09 120.40 117.83 1q38 s VAL 49 Ca 0.00 -0.70 -0.24 0.00 -2.93 0.00 0.00 61.98 58.11 1q38 s VAL 49 Cb 0.00 -2.22 -0.08 0.00 -1.53 0.00 0.00 36.38 32.54 1q38 s VAL 49 CO 0.00 0.51 0.80 -0.69 -3.33 0.00 0.00 175.10 172.39 1q38 s VAL 50 N 0.65 4.38 -0.10 2.04 1.01 -1.26 -4.92 120.40 122.20 1q38 s VAL 50 Ca -0.07 1.62 -0.02 0.00 0.00 0.00 0.00 61.98 63.51 1q38 s VAL 50 Cb -0.16 -4.04 -0.03 0.00 0.00 0.00 0.00 36.38 32.15 1q38 s VAL 50 CO 0.02 0.36 -0.04 -0.31 0.00 0.00 0.00 175.10 175.14 1q38 s TYR 51 N -1.34 3.04 -0.14 5.22 2.02 -0.98 -1.73 117.35 123.44 1q38 s TYR 51 Ca 0.41 -0.02 -0.01 0.00 -0.37 0.00 0.00 57.07 57.07 1q38 s TYR 51 Cb -0.21 -1.82 -0.02 0.00 -0.40 0.00 0.00 41.96 39.52 1q38 s TYR 51 CO 0.25 0.26 -0.10 -1.83 -1.57 0.00 0.00 175.55 172.56 1q38 s GLU 52 N -0.46 3.48 0.05 -0.62 -1.05 -0.82 -0.96 118.70 118.32 1q38 s GLU 52 Ca 0.07 -0.62 -0.08 0.00 -0.15 0.00 0.00 54.97 54.19 1q38 s GLU 52 Cb -0.12 -2.73 -0.00 0.00 -0.44 0.00 0.00 34.13 30.83 1q38 s GLU 52 CO 0.02 0.23 0.16 0.20 0.95 0.00 0.00 175.26 176.82 1q38 s GLY 53 N 0.34 0.11 0.03 -3.83 0.00 -0.30 -1.10 107.32 102.56 1q38 s GLY 53 Ca -0.08 -0.49 0.04 0.00 0.00 0.00 0.00 44.72 44.18 1q38 s GLY 53 CO 0.05 -0.65 -0.11 1.20 0.00 0.00 0.00 173.10 173.58 1q38 s GLN 54 N -3.00 0.74 -0.45 2.90 -0.21 0.53 -0.79 119.66 119.39 1q38 s GLN 54 Ca -0.02 -0.67 -0.15 0.00 0.02 0.00 0.00 55.36 54.54 1q38 s GLN 54 Cb 0.01 -0.68 0.05 0.00 1.00 0.00 0.00 33.01 33.39 1q38 s GLN 54 CO -0.06 0.16 0.36 -1.17 -2.12 0.00 0.00 175.29 172.46 1q38 s LEU 55 N -1.10 5.42 -0.24 2.90 2.96 -0.85 -2.05 118.68 125.72 1q38 s LEU 55 Ca -0.01 -1.17 -0.15 0.00 -0.22 0.00 0.00 54.13 52.57 1q38 s LEU 55 Cb -0.07 -2.17 -0.04 0.00 0.50 0.00 0.00 46.19 44.41 1q38 s LEU 55 CO 0.01 -0.57 0.39 -0.63 -1.32 0.00 0.00 176.35 174.22 1q38 s ILE 56 N 1.65 5.18 -0.35 6.68 1.09 0.11 -2.92 121.20 132.64 1q38 s ILE 56 Ca 0.04 0.63 -0.17 0.00 -1.10 0.00 0.00 60.65 60.05 1q38 s ILE 56 Cb -0.22 -3.71 -0.01 0.00 -1.06 0.00 0.00 42.46 37.46 1q38 s ILE 56 CO 0.08 0.19 0.46 -0.94 -0.10 0.00 0.00 174.94 174.63 1q38 s SER 57 N 1.40 6.27 -0.35 3.58 1.04 0.39 0.18 113.70 126.22 1q38 s SER 57 Ca 0.17 -0.11 -0.09 0.00 0.48 0.00 0.00 55.95 56.40 1q38 s SER 57 Cb -0.15 -2.25 0.03 0.00 0.10 0.00 0.00 66.02 63.75 1q38 s SER 57 CO 0.09 -0.44 0.15 -0.63 0.98 0.00 0.00 173.24 173.39 1q38 s ILE 58 N 2.27 4.22 0.49 -1.02 1.01 -0.93 0.06 121.20 127.30 1q38 s ILE 58 Ca 0.16 -0.90 -0.02 0.00 0.00 0.00 0.00 60.65 59.90 1q38 s ILE 58 Cb -0.16 -3.33 0.10 0.00 0.01 0.00 0.00 42.46 39.08 1q38 s ILE 58 CO 0.13 -0.15 0.67 0.00 0.00 0.00 0.00 174.94 175.59 1q38 n GLN 59 N 4.92 -0.02 0.20 2.79 6.02 -0.25 -2.58 117.38 128.44 1q38 n GLN 59 Ca -0.13 -1.65 0.14 0.00 -0.01 0.00 0.00 57.00 55.35 1q38 n GLN 59 Cb 0.46 -0.50 0.70 0.00 1.02 0.00 0.00 30.24 31.92 1q38 n GLN 59 CO 0.00 0.00 0.00 -0.56 -1.01 0.00 0.00 177.06 175.49 1q38 h GLN 60 N 0.00 0.00 -0.06 -1.09 3.07 -1.97 0.72 115.11 115.78 1q38 h GLN 60 Ca -0.22 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.52 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 0.22 0.00 0.00 0.66 0.09 0.00 0.00 178.83 179.80 1q38 n TYR 61 N -2.44 0.05 0.00 0.06 4.01 -1.26 -5.08 117.16 112.50 1q38 n TYR 61 Ca -0.01 -0.03 0.00 0.00 -0.16 0.00 0.00 57.90 57.70 1q38 n TYR 61 Cb 0.08 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.11 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 1.15 1.24 3.55 2.72 0.00 0.25 -5.05 105.19 109.05 1q38 n GLY 62 Ca 0.12 -2.20 -0.34 0.00 0.00 0.00 0.00 46.02 43.60 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 -0.42 -0.05 -1.11 1.61 1.44 -1.26 -1.09 115.22 114.34 1q38 n HIS 63 Ca 0.00 0.35 0.00 0.00 -2.01 0.00 0.00 57.72 56.06 1q38 n HIS 63 Cb 0.00 -1.97 0.00 0.00 0.12 0.00 0.00 29.99 28.14 1q38 n HIS 63 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1q38 n GLN 64 N -2.12 0.00 -3.55 -1.40 10.64 0.11 -4.80 117.38 116.26 1q38 n GLN 64 Ca 0.11 0.00 -0.17 0.00 -1.83 0.00 0.00 57.00 55.11 1q38 n GLN 64 Cb 0.51 0.00 -0.13 0.00 -0.86 0.00 0.00 30.24 29.76 1q38 n GLN 64 CO 0.00 0.00 0.00 -2.00 -1.83 0.00 0.00 177.06 173.23 1q38 s GLU 65 N 0.00 0.16 -0.00 2.61 2.12 -1.18 -4.94 118.70 117.48 1q38 s GLU 65 Ca 0.00 0.39 0.01 0.00 0.36 0.00 0.00 54.97 55.73 1q38 s GLU 65 Cb 0.00 -0.78 -0.00 0.00 0.26 0.00 0.00 34.13 33.61 1q38 s GLU 65 CO 0.00 -0.52 -0.04 0.54 -0.54 0.00 0.00 175.26 174.70 1q38 s VAL 66 N 2.35 0.33 -0.05 3.70 0.11 -1.23 0.15 120.40 125.76 1q38 s VAL 66 Ca 0.05 -0.17 -0.01 0.00 -2.93 0.00 0.00 61.98 58.93 1q38 s VAL 66 Cb -0.14 -0.29 0.03 0.00 -1.53 0.00 0.00 36.38 34.45 1q38 s VAL 66 CO -0.10 0.10 0.01 -0.89 -3.33 0.00 0.00 175.10 170.88 1q38 s THR 67 N -0.05 0.23 0.17 5.04 2.01 -1.15 -4.92 115.64 116.96 1q38 s THR 67 Ca 0.01 0.14 -0.23 0.00 0.31 0.00 0.00 61.69 61.92 1q38 s THR 67 Cb -0.02 -0.36 -0.08 0.00 0.01 0.00 0.00 72.50 72.05 1q38 s THR 67 CO -0.00 0.20 0.74 -0.13 -0.69 0.00 0.00 174.62 174.74 1q38 s ARG 68 N 1.54 4.46 0.08 4.92 0.52 -1.26 -2.01 118.95 127.19 1q38 s ARG 68 Ca -0.02 1.05 -0.21 0.00 -0.52 0.00 0.00 55.73 56.03 1q38 s ARG 68 Cb -0.13 -3.17 0.05 0.00 0.52 0.00 0.00 34.95 32.22 1q38 s ARG 68 CO -0.03 0.54 0.49 -0.59 0.02 0.00 0.00 175.30 175.73 1q38 s PHE 69 N -1.23 -0.37 -0.11 -0.53 -0.12 0.03 -4.99 117.98 110.66 1q38 s PHE 69 Ca 0.37 0.29 0.01 0.00 -0.05 0.00 0.00 56.93 57.55 1q38 s PHE 69 Cb -0.21 0.34 -0.01 0.00 -0.63 0.00 0.00 43.02 42.50 1q38 s PHE 69 CO 0.24 -0.68 -0.15 -0.51 -0.05 0.00 0.00 175.22 174.08 1q38 s ASP 70 N -2.27 3.88 0.15 1.98 1.11 -1.26 -1.15 116.67 119.11 1q38 s ASP 70 Ca -0.03 -0.34 -0.14 0.00 0.18 0.00 0.00 52.55 52.22 1q38 s ASP 70 Cb -0.00 -1.45 0.02 0.00 1.07 0.00 0.00 42.92 42.56 1q38 s ASP 70 CO -0.06 0.19 0.38 0.72 1.18 0.00 0.00 175.17 177.59 1q38 s PHE 71 N 0.17 0.00 0.04 4.23 -0.71 -0.13 -4.70 117.98 116.89 1q38 s PHE 71 Ca -0.08 -0.35 -0.10 0.00 -1.04 0.00 0.00 56.93 55.35 1q38 s PHE 71 Cb -0.15 0.19 0.01 0.00 -1.21 0.00 0.00 43.02 41.85 1q38 s PHE 71 CO 0.05 -0.75 0.21 0.95 -1.34 0.00 0.00 175.22 174.35 1q38 s THR 72 N -3.87 0.10 0.01 -4.49 -4.23 -1.26 -2.32 115.64 99.58 1q38 s THR 72 Ca 0.08 -0.86 0.19 0.00 -1.18 0.00 0.00 61.69 59.93 1q38 s THR 72 Cb 0.02 -0.91 0.15 0.00 1.34 0.00 0.00 72.50 73.09 1q38 s THR 72 CO -0.07 -0.47 1.65 0.00 -0.54 0.00 0.00 174.62 175.19 1q38 h THR 73 N 3.42 0.74 0.00 3.99 1.03 -1.90 -3.39 112.91 116.79 1q38 h THR 73 Ca -0.32 -1.64 -0.22 0.00 -0.01 0.00 0.00 66.41 64.22 1q38 h THR 73 Cb 1.19 2.07 -0.14 0.00 -1.07 0.00 0.00 68.15 70.20 1q38 h THR 73 CO 0.48 0.36 -0.41 0.35 -0.01 0.00 0.00 175.52 176.28 1q38 n THR 74 N -3.35 0.00 0.00 0.00 -2.24 -1.26 -5.02 114.28 102.40 1q38 n THR 74 Ca 0.01 -1.42 0.00 0.00 -2.27 0.00 0.00 64.05 60.36 1q38 n THR 74 Cb 0.57 1.46 0.00 0.00 -2.10 0.00 0.00 70.33 70.26 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 0.83 1.26 -2.81 3.42 2.88 -1.26 -4.44 113.62 113.50 1q38 n SER 75 Ca 0.06 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.58 1q38 n SER 75 Cb 0.68 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 64.16 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 0.00 0.00 -0.99 2.46 5.66 -1.26 -4.92 114.28 115.23 1q38 n THR 76 Ca 0.00 -0.02 0.08 0.00 -3.05 0.00 0.00 64.05 61.07 1q38 n THR 76 Cb 0.00 -0.50 -0.05 0.00 -1.55 0.00 0.00 70.33 68.23 1q38 n THR 76 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1q38 n SER 77 N -3.17 -5.37 -3.75 1.09 3.41 -1.26 -4.12 113.62 100.45 1q38 n SER 77 Ca 0.01 1.07 -0.13 0.00 -0.26 0.00 0.00 58.87 59.56 1q38 n SER 77 Cb 0.04 -3.26 -0.11 0.00 -0.26 0.00 0.00 64.21 60.63 1q38 n SER 77 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1q38 s THR 78 N -4.21 -0.00 -1.50 6.66 -4.23 -1.26 -4.92 115.64 106.17 1q38 s THR 78 Ca 0.00 0.01 -0.12 0.00 -1.18 0.00 0.00 61.69 60.40 1q38 s THR 78 Cb 0.00 -0.50 0.00 0.00 1.34 0.00 0.00 72.50 73.35 1q38 s THR 78 CO 0.00 0.01 2.48 -0.81 -0.54 0.00 0.00 174.62 175.75 1q38 n PRO 79 N 3.06 3.26 -0.05 3.99 -0.04 -1.26 -4.29 135.00 139.67 1q38 n PRO 79 Ca -0.14 -2.54 0.01 0.00 -0.04 0.00 0.00 63.50 60.78 1q38 n PRO 79 Cb 0.57 -3.07 0.02 0.00 -0.04 0.00 0.00 33.50 30.98 1q38 n PRO 79 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1q38 n GLY 80 N 3.75 0.87 1.00 0.55 0.00 -1.26 -5.08 105.19 105.01 1q38 n GLY 80 Ca 0.61 -0.13 -0.04 0.00 0.00 0.00 0.00 46.02 46.46 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 -0.39 -0.39 -3.06 1.61 2.88 -1.26 -5.03 113.62 107.98 1q38 n SER 81 Ca 0.02 -1.57 -0.14 0.00 -1.33 0.00 0.00 58.87 55.85 1q38 n SER 81 Cb 0.42 0.74 0.01 0.00 -0.75 0.00 0.00 64.21 64.64 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 -0.17 -2.11 -4.46 -1.46 3.00 -1.26 -5.04 116.66 105.16 1q38 n ARG 82 Ca 0.00 1.84 -0.29 0.00 -0.01 0.00 0.00 57.85 59.39 1q38 n ARG 82 Cb 0.18 -4.79 -0.08 0.00 0.00 0.00 0.00 32.46 27.76 1q38 n ARG 82 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1q38 s SER 83 N -2.45 4.19 0.25 0.55 1.04 -1.26 -5.04 113.70 110.98 1q38 s SER 83 Ca 0.23 -1.38 0.02 0.00 0.48 0.00 0.00 55.95 55.30 1q38 s SER 83 Cb -0.05 -0.00 0.31 0.00 0.10 0.00 0.00 66.02 66.38 1q38 s SER 83 CO 0.80 -0.69 1.63 0.45 0.98 0.00 0.00 173.24 176.40 1q38 h HIS 84 N 1.41 0.49 -1.84 5.02 3.86 -2.07 -3.44 115.15 118.59 1q38 h HIS 84 Ca -0.43 -0.14 0.06 0.00 -1.16 0.00 0.00 60.37 58.70 1q38 h HIS 84 Cb 1.28 -0.10 -0.22 0.00 1.06 0.00 0.00 27.41 29.42 1q38 h HIS 84 CO 1.01 0.77 0.07 -1.58 0.86 0.00 0.00 177.93 179.07 1q38 s HIS 85 N -4.16 -1.00 0.00 2.45 2.46 -1.26 -5.16 115.29 108.62 1q38 s HIS 85 Ca -0.06 1.92 0.00 0.00 0.47 0.00 0.00 55.06 57.39 1q38 s HIS 85 Cb 0.13 0.60 0.00 0.00 -0.13 0.00 0.00 32.58 33.18 1q38 s HIS 85 CO 0.80 -0.50 0.00 1.58 -2.47 0.00 0.00 174.74 174.15 1q38 n HIS 86 N 4.49 -0.13 1.06 3.88 -0.00 -1.26 -4.99 115.22 118.26 1q38 n HIS 86 Ca -0.17 0.00 0.11 0.00 0.46 0.00 0.00 57.72 58.12 1q38 n HIS 86 Cb 0.56 0.00 0.10 0.00 -0.12 0.00 0.00 29.99 30.53 1q38 n HIS 86 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41 1q38 n HIS 87 N -0.07 0.00 -0.77 1.57 1.44 -1.26 -4.43 115.22 111.71 1q38 n HIS 87 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1q38 n HIS 87 Cb 0.00 -0.07 0.00 0.00 0.12 0.00 0.00 29.99 30.04 1q38 n HIS 87 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 1q38 n HIS 88 N -0.83 0.00 -0.53 -1.40 -0.00 -1.26 -5.36 115.22 105.84 1q38 n HIS 88 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.80 1q38 n HIS 88 Cb 0.38 0.01 0.00 0.00 -0.00 0.00 0.00 29.99 30.38 1q38 n HIS 88 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92