#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 1.65 -0.73 2.12 1.74 -1.26 -4.79 116.66 115.38 1q38 n ARG 2 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1q38 n ARG 2 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 1q38 n ARG 2 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1q38 n GLY 3 N 3.23 -1.82 0.03 -0.13 0.00 -1.26 -4.99 105.19 100.25 1q38 n GLY 3 Ca 0.00 -0.69 0.08 0.00 0.00 0.00 0.00 46.02 45.41 1q38 n GLY 3 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1q38 n SER 4 N 0.00 0.87 -4.81 1.61 3.41 -1.26 -4.95 113.62 108.49 1q38 n SER 4 Ca 0.00 -0.93 -0.38 0.00 -0.26 0.00 0.00 58.87 57.30 1q38 n SER 4 Cb 0.00 0.96 -0.06 0.00 -0.26 0.00 0.00 64.21 64.85 1q38 n SER 4 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1q38 s ASN 5 N -2.57 6.74 -0.42 4.04 3.84 -1.26 -5.06 114.94 120.26 1q38 s ASN 5 Ca 0.07 0.88 0.02 0.00 0.21 0.00 0.00 52.86 54.04 1q38 s ASN 5 Cb 0.13 -2.24 0.14 0.00 -0.55 0.00 0.00 41.25 38.73 1q38 s ASN 5 CO 0.68 0.26 0.26 0.00 -2.79 0.00 0.00 177.10 175.51 1q38 s ALA 6 N -0.66 1.72 0.08 1.71 0.00 -1.26 -5.00 121.76 118.35 1q38 s ALA 6 Ca 0.23 -2.40 -0.20 0.00 0.00 0.00 0.00 51.96 49.59 1q38 s ALA 6 Cb -0.16 -1.76 -0.10 0.00 0.00 0.00 0.00 23.12 21.10 1q38 s ALA 6 CO 0.12 -2.07 1.59 -1.00 0.00 0.00 0.00 175.76 174.39 1q38 h PRO 7 N 6.57 0.30 -5.38 0.00 0.13 -2.04 -3.49 132.00 128.09 1q38 h PRO 7 Ca 0.07 -0.07 -0.03 0.00 -0.87 0.00 0.00 66.00 65.10 1q38 h PRO 7 Cb 0.93 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.02 1q38 h PRO 7 CO 0.40 0.42 -0.83 1.04 -0.23 0.00 0.00 178.00 178.81 1q38 n GLN 8 N -4.79 -2.74 -1.55 0.86 6.02 -1.26 -4.76 117.38 109.15 1q38 n GLN 8 Ca -0.04 2.31 -0.38 0.00 -0.01 0.00 0.00 57.00 58.88 1q38 n GLN 8 Cb 0.16 -4.95 -0.04 0.00 1.02 0.00 0.00 30.24 26.43 1q38 n GLN 8 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 1q38 n PRO 9 N 0.32 1.12 -1.39 -1.09 -0.02 -1.26 -4.46 135.00 128.22 1q38 n PRO 9 Ca 0.04 0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 1q38 n PRO 9 Cb 0.26 -3.31 0.00 0.00 -0.02 0.00 0.00 33.50 30.43 1q38 n PRO 9 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1q38 n SER 10 N 14.99 -7.57 -4.75 2.55 3.41 -1.26 -4.92 113.62 116.06 1q38 n SER 10 Ca 0.38 1.03 -0.35 0.00 -0.26 0.00 0.00 58.87 59.67 1q38 n SER 10 Cb 0.50 -3.66 0.05 0.00 -0.26 0.00 0.00 64.21 60.85 1q38 n SER 10 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 1q38 s HIS 11 N -2.15 2.35 0.24 7.33 -3.43 -1.26 -5.03 115.29 113.33 1q38 s HIS 11 Ca 0.00 1.55 0.01 0.00 -0.80 0.00 0.00 55.06 55.83 1q38 s HIS 11 Cb 0.00 -3.39 -0.04 0.00 -1.43 0.00 0.00 32.58 27.72 1q38 s HIS 11 CO 0.00 -2.18 0.41 -1.50 -2.00 0.00 0.00 174.74 169.47 1q38 s ILE 12 N -1.92 5.20 0.17 -5.38 2.07 -1.26 -5.00 121.20 115.09 1q38 s ILE 12 Ca 0.74 -0.58 -0.20 0.00 -1.41 0.00 0.00 60.65 59.20 1q38 s ILE 12 Cb -0.27 -3.80 0.10 0.00 0.13 0.00 0.00 42.46 38.62 1q38 s ILE 12 CO 0.39 -0.30 1.62 -1.28 -1.91 0.00 0.00 174.94 173.45 1q38 h SER 13 N 1.49 -0.84 -3.86 4.50 0.87 -1.90 -3.14 113.55 110.66 1q38 h SER 13 Ca -0.49 0.18 0.04 0.00 -1.23 0.00 0.00 61.79 60.28 1q38 h SER 13 Cb 1.21 0.43 -0.23 0.00 -0.44 0.00 0.00 62.40 63.37 1q38 h SER 13 CO 0.65 -0.27 0.41 -1.59 -0.53 0.00 0.00 176.83 175.50 1q38 s LYS 14 N -6.09 0.65 -0.13 2.24 0.00 -1.09 -4.44 119.74 110.88 1q38 s LYS 14 Ca -0.15 0.45 -0.06 0.00 0.00 0.00 0.00 55.97 56.21 1q38 s LYS 14 Cb 0.15 0.31 -0.04 0.00 0.00 0.00 0.00 37.83 38.25 1q38 s LYS 14 CO 0.70 -0.15 0.09 0.71 0.00 0.00 0.00 175.35 176.70 1q38 s TYR 15 N -0.40 3.41 -0.13 1.78 2.02 -0.84 -1.60 117.35 121.58 1q38 s TYR 15 Ca -0.01 0.34 0.00 0.00 -0.37 0.00 0.00 57.07 57.03 1q38 s TYR 15 Cb -0.03 -1.96 -0.01 0.00 -0.40 0.00 0.00 41.96 39.56 1q38 s TYR 15 CO -0.00 0.51 -0.13 0.42 -1.57 0.00 0.00 175.55 174.77 1q38 s ILE 16 N -0.56 3.01 -0.23 2.71 -1.09 0.39 -1.39 121.20 124.03 1q38 s ILE 16 Ca 0.11 -0.68 0.01 0.00 -2.23 0.00 0.00 60.65 57.86 1q38 s ILE 16 Cb -0.12 -2.26 0.04 0.00 -1.58 0.00 0.00 42.46 38.54 1q38 s ILE 16 CO 0.02 0.53 -0.12 -0.22 -1.23 0.00 0.00 174.94 173.92 1q38 s LEU 17 N 0.36 2.98 -0.09 2.97 0.20 -0.54 -1.43 118.68 123.12 1q38 s LEU 17 Ca -0.11 -0.98 0.03 0.00 0.69 0.00 0.00 54.13 53.76 1q38 s LEU 17 Cb -0.16 -1.58 0.01 0.00 -0.43 0.00 0.00 46.19 44.03 1q38 s LEU 17 CO 0.06 -0.11 -0.19 -0.13 -0.29 0.00 0.00 176.35 175.69 1q38 s ARG 18 N 1.24 2.49 0.13 1.98 0.52 -1.10 -1.35 118.95 122.86 1q38 s ARG 18 Ca -0.01 -0.68 -0.12 0.00 -0.52 0.00 0.00 55.73 54.40 1q38 s ARG 18 Cb -0.17 -1.95 0.01 0.00 0.52 0.00 0.00 34.95 33.36 1q38 s ARG 18 CO -0.07 0.09 0.30 1.67 0.02 0.00 0.00 175.30 177.31 1q38 s TRP 19 N 0.55 0.11 0.02 -0.53 -2.14 -0.99 -0.30 118.94 115.66 1q38 s TRP 19 Ca -0.15 -0.48 -0.26 0.00 2.66 0.00 0.00 56.10 57.86 1q38 s TRP 19 Cb -0.17 0.07 0.06 0.00 -3.10 0.00 0.00 33.47 30.33 1q38 s TRP 19 CO 0.05 -0.67 0.60 -0.98 -2.66 0.00 0.00 176.95 173.29 1q38 s ARG 20 N -3.88 1.08 -0.25 3.25 1.70 -0.31 -0.83 118.95 119.71 1q38 s ARG 20 Ca 0.08 -0.05 -0.29 0.00 -0.47 0.00 0.00 55.73 55.00 1q38 s ARG 20 Cb 0.03 0.50 -0.06 0.00 -0.57 0.00 0.00 34.95 34.85 1q38 s ARG 20 CO -0.07 -0.38 2.23 -0.35 -1.08 0.00 0.00 175.30 175.65 1q38 n PRO 21 N 0.51 1.78 -0.13 3.89 -0.04 -1.24 -1.66 135.00 138.11 1q38 n PRO 21 Ca -0.18 0.47 0.08 0.00 -0.04 0.00 0.00 63.50 63.83 1q38 n PRO 21 Cb 0.60 -3.13 0.41 0.00 -0.04 0.00 0.00 33.50 31.34 1q38 n PRO 21 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1q38 h LYS 22 N 14.88 0.60 0.00 0.54 3.64 -1.18 -0.34 116.57 134.71 1q38 h LYS 22 Ca -0.38 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 58.86 1q38 h LYS 22 Cb 1.25 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.92 1q38 h LYS 22 CO 0.98 0.40 -0.48 -0.97 -2.27 0.00 0.00 179.45 177.11 1q38 h ASN 23 N 0.62 0.00 -0.20 4.20 -1.24 -1.88 -3.44 115.58 113.64 1q38 h ASN 23 Ca 0.29 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.30 1q38 h ASN 23 Cb 0.32 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.37 1q38 h ASN 23 CO -0.09 0.48 0.00 -0.24 -1.29 0.00 0.00 177.43 176.29 1q38 n SER 24 N -3.86 -0.02 -0.08 1.15 2.88 -0.14 -5.02 113.62 108.53 1q38 n SER 24 Ca -0.01 -0.09 0.03 0.00 -1.33 0.00 0.00 58.87 57.47 1q38 n SER 24 Cb 0.51 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.95 1q38 n SER 24 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 1q38 n VAL 25 N -0.29 0.00 0.00 2.46 3.14 -1.26 -5.00 118.33 117.38 1q38 n VAL 25 Ca 0.00 -0.38 0.00 0.00 -2.96 0.00 0.00 64.34 61.00 1q38 n VAL 25 Cb 0.00 1.04 0.00 0.00 -1.06 0.00 0.00 33.84 33.82 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 0.98 -0.49 2.62 7.55 0.00 -1.26 -5.09 105.19 109.50 1q38 n GLY 26 Ca 0.02 0.37 -0.03 0.00 0.00 0.00 0.00 46.02 46.38 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 -1.45 -2.09 1.61 1.74 -1.26 -3.69 116.66 111.52 1q38 n ARG 27 Ca 0.00 1.52 -0.28 0.00 -0.77 0.00 0.00 57.85 58.32 1q38 n ARG 27 Cb 0.00 -4.76 0.14 0.00 -1.02 0.00 0.00 32.46 26.83 1q38 n ARG 27 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1q38 s TRP 28 N -2.60 1.95 -0.20 -1.55 0.52 -1.26 -4.12 118.94 111.69 1q38 s TRP 28 Ca 0.10 0.28 -0.16 0.00 0.02 0.00 0.00 56.10 56.34 1q38 s TRP 28 Cb -0.03 -3.70 0.05 0.00 -1.15 0.00 0.00 33.47 28.65 1q38 s TRP 28 CO 0.59 -2.18 0.51 0.15 0.02 0.00 0.00 176.95 176.03 1q38 s LYS 29 N -5.62 0.57 -0.05 4.98 1.02 -0.01 -4.92 119.74 115.70 1q38 s LYS 29 Ca 0.69 0.78 0.06 0.00 0.02 0.00 0.00 55.97 57.52 1q38 s LYS 29 Cb -0.06 0.21 -0.01 0.00 -0.52 0.00 0.00 37.83 37.45 1q38 s LYS 29 CO 0.50 -0.10 -0.25 -1.21 -0.92 0.00 0.00 175.35 173.37 1q38 s GLU 30 N 0.65 2.49 -0.12 1.68 2.02 -1.24 -2.34 118.70 121.83 1q38 s GLU 30 Ca -0.03 -0.90 -0.04 0.00 0.02 0.00 0.00 54.97 54.02 1q38 s GLU 30 Cb -0.05 -2.13 0.05 0.00 0.10 0.00 0.00 34.13 32.10 1q38 s GLU 30 CO -0.04 0.40 0.11 0.00 0.02 0.00 0.00 175.26 175.74 1q38 s ALA 31 N -0.20 0.17 -0.08 5.21 0.00 -0.46 -4.94 121.76 121.46 1q38 s ALA 31 Ca -0.02 0.07 -0.11 0.00 0.00 0.00 0.00 51.96 51.89 1q38 s ALA 31 Cb -0.13 -0.90 -0.05 0.00 0.00 0.00 0.00 23.12 22.04 1q38 s ALA 31 CO 0.03 -0.86 0.27 0.99 0.00 0.00 0.00 175.76 176.20 1q38 s THR 32 N 2.20 5.28 -0.18 0.00 2.01 -1.25 -1.47 115.64 122.22 1q38 s THR 32 Ca 0.04 0.52 -0.03 0.00 0.31 0.00 0.00 61.69 62.53 1q38 s THR 32 Cb -0.14 -3.57 0.06 0.00 0.01 0.00 0.00 72.50 68.86 1q38 s THR 32 CO -0.07 0.55 0.04 -0.63 -0.69 0.00 0.00 174.62 173.82 1q38 s ILE 33 N -0.72 0.43 -0.83 1.82 1.09 -0.49 -4.93 121.20 117.57 1q38 s ILE 33 Ca 0.19 -0.45 -0.22 0.00 -1.10 0.00 0.00 60.65 59.06 1q38 s ILE 33 Cb -0.14 -0.93 -0.20 0.00 -1.06 0.00 0.00 42.46 40.13 1q38 s ILE 33 CO 0.07 -0.19 2.39 -2.65 -0.10 0.00 0.00 174.94 174.47 1q38 n PRO 34 N 5.09 0.38 -2.23 2.79 -0.02 -1.26 -1.99 135.00 137.76 1q38 n PRO 34 Ca -0.09 -0.27 -0.07 0.00 -2.02 0.00 0.00 63.50 61.06 1q38 n PRO 34 Cb 0.48 -2.42 -0.01 0.00 -0.02 0.00 0.00 33.50 31.53 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 6.20 -0.28 3.31 -1.23 0.00 -1.19 -2.20 105.19 109.80 1q38 n GLY 35 Ca 0.55 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.48 1q38 n GLY 35 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1q38 n HIS 36 N -2.71 -2.66 0.76 1.61 8.25 -1.02 -4.73 115.22 114.71 1q38 n HIS 36 Ca -0.08 1.03 0.09 0.00 -0.26 0.00 0.00 57.72 58.50 1q38 n HIS 36 Cb 0.50 -3.67 0.42 0.00 1.12 0.00 0.00 29.99 28.36 1q38 n HIS 36 CO 0.00 0.00 0.00 1.47 0.64 0.00 0.00 176.34 178.45 1q38 n LEU 37 N -2.09 0.00 0.00 2.41 -0.00 -0.93 -4.85 117.00 111.53 1q38 n LEU 37 Ca -0.11 0.36 -0.03 0.00 -0.00 0.00 0.00 56.01 56.24 1q38 n LEU 37 Cb 0.57 -0.36 0.01 0.00 -0.00 0.00 0.00 43.42 43.64 1q38 n LEU 37 CO 0.57 -0.15 0.31 -0.46 -0.00 0.00 0.00 177.39 177.66 1q38 n ASN 38 N -1.36 -0.95 -4.57 1.45 6.94 -1.26 -5.11 115.26 110.40 1q38 n ASN 38 Ca 0.07 -1.59 -0.42 0.00 -0.02 0.00 0.00 54.58 52.62 1q38 n ASN 38 Cb 0.16 1.57 -0.03 0.00 -2.36 0.00 0.00 39.78 39.12 1q38 n ASN 38 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1q38 s SER 39 N -2.05 6.41 -0.32 0.53 1.04 -1.26 -4.98 113.70 113.07 1q38 s SER 39 Ca 0.09 0.02 -0.02 0.00 0.48 0.00 0.00 55.95 56.53 1q38 s SER 39 Cb -0.02 -2.55 0.06 0.00 0.10 0.00 0.00 66.02 63.62 1q38 s SER 39 CO 0.04 -1.50 0.04 -0.47 0.98 0.00 0.00 173.24 172.33 1q38 s TYR 40 N 4.96 3.36 0.06 5.02 6.14 -1.26 -5.10 117.35 130.53 1q38 s TYR 40 Ca 0.41 -2.06 0.07 0.00 0.64 0.00 0.00 57.07 56.13 1q38 s TYR 40 Cb -0.08 -2.37 -0.04 0.00 0.42 0.00 0.00 41.96 39.89 1q38 s TYR 40 CO 0.24 -0.85 -0.14 -0.08 0.64 0.00 0.00 175.55 175.36 1q38 s THR 41 N 1.21 3.07 -0.20 4.34 -1.32 -1.26 -5.11 115.64 116.37 1q38 s THR 41 Ca -0.02 -1.17 -0.18 0.00 -1.21 0.00 0.00 61.69 59.11 1q38 s THR 41 Cb -0.20 -2.35 -0.03 0.00 -1.51 0.00 0.00 72.50 68.41 1q38 s THR 41 CO -0.02 0.27 0.52 -0.63 -2.21 0.00 0.00 174.62 172.55 1q38 s ILE 42 N -1.03 5.11 0.09 5.08 -1.09 -1.26 -5.06 121.20 123.04 1q38 s ILE 42 Ca 0.17 0.96 -0.00 0.00 -2.23 0.00 0.00 60.65 59.55 1q38 s ILE 42 Cb -0.11 -3.84 -0.04 0.00 -1.58 0.00 0.00 42.46 36.89 1q38 s ILE 42 CO 0.08 0.18 -0.01 -0.54 -1.23 0.00 0.00 174.94 173.42 1q38 s LYS 43 N 1.61 0.79 0.00 2.79 1.02 -1.26 -4.84 119.74 119.85 1q38 s LYS 43 Ca 0.24 -1.33 0.00 0.00 0.02 0.00 0.00 55.97 54.90 1q38 s LYS 43 Cb -0.15 0.08 0.00 0.00 -0.52 0.00 0.00 37.83 37.23 1q38 s LYS 43 CO 0.10 -0.13 0.00 0.41 -0.92 0.00 0.00 175.35 174.81 1q38 n GLY 44 N -0.01 0.92 0.00 -3.33 0.00 -1.26 -5.11 105.19 96.40 1q38 n GLY 44 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.78 0.99 4.77 -1.26 -5.08 117.00 112.64 1q38 n LEU 45 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 1q38 n LEU 45 Cb 0.00 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 40.95 1q38 n LEU 45 CO 0.00 -0.25 -0.24 -0.75 -1.33 0.00 0.00 177.39 174.82 1q38 s LYS 46 N -0.53 0.10 0.79 3.23 2.20 -1.26 -4.85 119.74 119.43 1q38 s LYS 46 Ca 0.00 0.28 -0.14 0.00 -0.36 0.00 0.00 55.97 55.75 1q38 s LYS 46 Cb 0.00 -0.09 0.04 0.00 -1.51 0.00 0.00 37.83 36.27 1q38 s LYS 46 CO 0.00 -0.11 0.97 -2.30 -0.36 0.00 0.00 175.35 173.55 1q38 n PRO 47 N 3.76 0.22 0.00 4.03 -0.02 -1.26 -2.51 135.00 139.22 1q38 n PRO 47 Ca -0.21 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.41 1q38 n PRO 47 Cb 0.54 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 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 0.93 3.03 3.30 -1.23 0.00 -1.26 -4.96 105.19 105.00 1q38 n GLY 48 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.30 3.47 0.30 1.61 1.01 -1.04 -5.07 120.40 119.38 1q38 s VAL 49 Ca 0.00 -0.64 -0.25 0.00 0.00 0.00 0.00 61.98 61.09 1q38 s VAL 49 Cb 0.00 -2.68 -0.10 0.00 0.00 0.00 0.00 36.38 33.61 1q38 s VAL 49 CO 0.00 0.28 0.90 -0.69 0.00 0.00 0.00 175.10 175.59 1q38 s VAL 50 N 1.46 4.29 -0.29 2.92 1.01 -1.26 -4.70 120.40 123.83 1q38 s VAL 50 Ca 0.04 1.70 0.02 0.00 0.00 0.00 0.00 61.98 63.73 1q38 s VAL 50 Cb -0.16 -3.97 0.08 0.00 0.00 0.00 0.00 36.38 32.34 1q38 s VAL 50 CO -0.02 0.15 0.02 -0.31 0.00 0.00 0.00 175.10 174.94 1q38 s TYR 51 N -1.61 2.81 0.01 5.22 2.02 -0.86 -0.57 117.35 124.37 1q38 s TYR 51 Ca 0.49 -2.26 -0.30 0.00 -0.37 0.00 0.00 57.07 54.63 1q38 s TYR 51 Cb -0.18 -2.14 -0.03 0.00 -0.40 0.00 0.00 41.96 39.21 1q38 s TYR 51 CO 0.23 -0.87 0.99 -1.83 -1.57 0.00 0.00 175.55 172.50 1q38 s GLU 52 N 1.24 4.56 0.12 -0.62 -1.05 -0.66 -1.58 118.70 120.70 1q38 s GLU 52 Ca 0.04 1.44 0.02 0.00 -0.15 0.00 0.00 54.97 56.32 1q38 s GLU 52 Cb -0.19 -3.45 -0.04 0.00 -0.44 0.00 0.00 34.13 30.01 1q38 s GLU 52 CO -0.11 -0.05 -0.04 0.20 0.95 0.00 0.00 175.26 176.20 1q38 s GLY 53 N 0.97 0.91 -0.01 -3.83 0.00 -0.32 -1.16 107.32 103.88 1q38 s GLY 53 Ca 0.52 -1.42 0.03 0.00 0.00 0.00 0.00 44.72 43.85 1q38 s GLY 53 CO 0.28 -1.48 -0.09 1.20 0.00 0.00 0.00 173.10 173.01 1q38 s GLN 54 N -3.86 0.81 -0.45 2.90 -0.21 0.60 -1.45 119.66 117.99 1q38 s GLN 54 Ca 0.16 -0.33 -0.15 0.00 0.02 0.00 0.00 55.36 55.05 1q38 s GLN 54 Cb 0.05 -0.77 0.05 0.00 1.00 0.00 0.00 33.01 33.34 1q38 s GLN 54 CO -0.02 0.19 0.36 -1.17 -2.12 0.00 0.00 175.29 172.53 1q38 s LEU 55 N -0.14 5.41 -0.27 2.90 1.98 0.96 -2.73 118.68 126.79 1q38 s LEU 55 Ca 0.02 -1.15 -0.05 0.00 -2.89 0.00 0.00 54.13 50.07 1q38 s LEU 55 Cb -0.05 -2.18 0.01 0.00 0.66 0.00 0.00 46.19 44.64 1q38 s LEU 55 CO -0.00 -0.57 0.02 -0.63 -1.89 0.00 0.00 176.35 173.28 1q38 s ILE 56 N 1.67 3.54 -0.30 6.68 1.09 -0.51 -1.33 121.20 132.03 1q38 s ILE 56 Ca 0.05 -0.81 -0.19 0.00 -1.10 0.00 0.00 60.65 58.60 1q38 s ILE 56 Cb -0.22 -2.81 -0.01 0.00 -1.06 0.00 0.00 42.46 38.36 1q38 s ILE 56 CO 0.08 0.14 0.55 -0.44 -0.10 0.00 0.00 174.94 175.16 1q38 s SER 57 N 1.43 6.41 -0.32 3.58 0.01 0.21 -0.46 113.70 124.56 1q38 s SER 57 Ca 0.02 0.32 -0.11 0.00 1.31 0.00 0.00 55.95 57.49 1q38 s SER 57 Cb -0.17 -2.29 -0.02 0.00 0.21 0.00 0.00 66.02 63.75 1q38 s SER 57 CO -0.00 -0.40 0.20 -0.63 0.41 0.00 0.00 173.24 172.81 1q38 s ILE 58 N 2.42 5.02 0.41 1.44 1.01 -0.63 -1.80 121.20 129.06 1q38 s ILE 58 Ca 0.22 -0.24 -0.02 0.00 0.00 0.00 0.00 60.65 60.60 1q38 s ILE 58 Cb -0.15 -3.54 0.08 0.00 0.01 0.00 0.00 42.46 38.86 1q38 s ILE 58 CO 0.11 0.06 0.56 0.00 0.00 0.00 0.00 174.94 175.67 1q38 n GLN 59 N 5.05 0.06 0.31 2.79 1.13 0.37 -2.66 117.38 124.43 1q38 n GLN 59 Ca -0.13 -1.35 0.18 0.00 -1.94 0.00 0.00 57.00 53.76 1q38 n GLN 59 Cb 0.50 -0.42 1.03 0.00 0.11 0.00 0.00 30.24 31.46 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 -0.58 -1.09 3.07 -1.98 -0.08 115.11 114.46 1q38 h GLN 60 Ca -0.18 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.56 1q38 h GLN 60 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.19 1q38 h GLN 60 CO 0.18 0.01 0.00 2.48 0.09 0.00 0.00 178.83 181.59 1q38 n TYR 61 N -3.52 1.24 0.00 0.06 0.18 -1.26 -5.07 117.16 108.79 1q38 n TYR 61 Ca -0.03 -0.61 0.00 0.00 1.88 0.00 0.00 57.90 59.14 1q38 n TYR 61 Cb 0.09 -0.20 0.00 0.00 -0.38 0.00 0.00 39.34 38.85 1q38 n TYR 61 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1q38 n GLY 62 N 0.92 -2.41 3.39 -7.48 0.00 -0.04 -5.02 105.19 94.55 1q38 n GLY 62 Ca 0.23 -2.12 -0.33 0.00 0.00 0.00 0.00 46.02 43.80 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 -0.07 -1.47 0.00 1.61 -0.00 -1.26 -0.48 115.22 113.55 1q38 n HIS 63 Ca 0.00 0.21 0.00 0.00 -0.00 0.00 0.00 57.72 57.93 1q38 n HIS 63 Cb 0.00 -1.74 0.00 0.00 -0.00 0.00 0.00 29.99 28.25 1q38 n HIS 63 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1q38 n GLN 64 N -1.78 0.00 -4.81 -1.40 10.64 -0.75 -4.71 117.38 114.58 1q38 n GLN 64 Ca 0.05 0.00 -0.29 0.00 -1.83 0.00 0.00 57.00 54.93 1q38 n GLN 64 Cb 0.55 0.00 -0.17 0.00 -0.86 0.00 0.00 30.24 29.77 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 -0.04 2.47 -0.03 2.61 2.12 -1.16 -4.97 118.70 119.69 1q38 s GLU 65 Ca 0.00 -0.67 0.01 0.00 0.36 0.00 0.00 54.97 54.67 1q38 s GLU 65 Cb 0.00 -1.96 0.01 0.00 0.26 0.00 0.00 34.13 32.44 1q38 s GLU 65 CO 0.00 0.06 -0.05 0.08 -0.54 0.00 0.00 175.26 174.81 1q38 s VAL 66 N 0.63 0.50 -0.05 3.70 1.01 -1.24 -0.62 120.40 124.33 1q38 s VAL 66 Ca -0.14 -0.16 -0.01 0.00 0.00 0.00 0.00 61.98 61.68 1q38 s VAL 66 Cb -0.16 -0.49 0.03 0.00 0.00 0.00 0.00 36.38 35.75 1q38 s VAL 66 CO 0.04 0.19 0.02 -0.89 0.00 0.00 0.00 175.10 174.46 1q38 s THR 67 N 0.55 0.15 -0.13 3.92 2.01 -0.44 -4.92 115.64 116.77 1q38 s THR 67 Ca -0.07 0.20 -0.11 0.00 0.31 0.00 0.00 61.69 62.02 1q38 s THR 67 Cb -0.10 -0.31 -0.05 0.00 0.01 0.00 0.00 72.50 72.05 1q38 s THR 67 CO -0.00 0.19 0.23 -0.13 -0.69 0.00 0.00 174.62 174.22 1q38 s ARG 68 N 1.66 3.95 0.12 4.92 0.52 -1.26 -0.03 118.95 128.83 1q38 s ARG 68 Ca -0.01 0.01 -0.19 0.00 -0.52 0.00 0.00 55.73 55.02 1q38 s ARG 68 Cb -0.13 -3.32 0.05 0.00 0.52 0.00 0.00 34.95 32.07 1q38 s ARG 68 CO -0.03 0.48 0.48 -0.59 0.02 0.00 0.00 175.30 175.65 1q38 s PHE 69 N -0.22 -0.34 -0.12 -0.53 -0.12 -0.53 -5.02 117.98 111.09 1q38 s PHE 69 Ca 0.15 0.11 -0.02 0.00 -0.05 0.00 0.00 56.93 57.13 1q38 s PHE 69 Cb -0.13 0.36 -0.03 0.00 -0.63 0.00 0.00 43.02 42.59 1q38 s PHE 69 CO 0.04 -0.73 -0.05 -0.51 -0.05 0.00 0.00 175.22 173.92 1q38 s ASP 70 N -2.64 4.75 -0.08 1.98 1.01 -1.26 -1.18 116.67 119.25 1q38 s ASP 70 Ca 0.01 -0.08 -0.17 0.00 0.71 0.00 0.00 52.55 53.02 1q38 s ASP 70 Cb 0.01 -1.57 0.04 0.00 1.01 0.00 0.00 42.92 42.40 1q38 s ASP 70 CO -0.11 0.24 0.40 0.72 0.21 0.00 0.00 175.17 176.64 1q38 s PHE 71 N -0.09 -0.36 -0.03 4.23 -0.71 -0.62 -4.89 117.98 115.52 1q38 s PHE 71 Ca 0.02 0.73 -0.13 0.00 -1.04 0.00 0.00 56.93 56.51 1q38 s PHE 71 Cb -0.13 0.16 0.02 0.00 -1.21 0.00 0.00 43.02 41.86 1q38 s PHE 71 CO 0.03 -0.35 0.28 0.95 -1.34 0.00 0.00 175.22 174.78 1q38 s THR 72 N -0.69 0.05 0.42 -4.49 -4.23 -1.26 -2.02 115.64 103.42 1q38 s THR 72 Ca -0.08 -0.42 -0.25 0.00 -1.18 0.00 0.00 61.69 59.76 1q38 s THR 72 Cb -0.04 -0.55 -0.08 0.00 1.34 0.00 0.00 72.50 73.17 1q38 s THR 72 CO 0.04 -0.23 1.17 0.28 -0.54 0.00 0.00 174.62 175.33 1q38 s THR 73 N -1.06 3.13 0.00 3.99 -1.32 -1.26 -4.33 115.64 114.78 1q38 s THR 73 Ca -0.11 0.92 0.00 0.00 -1.21 0.00 0.00 61.69 61.29 1q38 s THR 73 Cb -0.05 -3.50 0.00 0.00 -1.51 0.00 0.00 72.50 67.44 1q38 s THR 73 CO 0.03 0.06 0.00 0.41 -2.21 0.00 0.00 174.62 172.91 1q38 n THR 74 N -0.07 0.00 -0.92 5.08 -1.04 -1.26 -4.10 114.28 111.97 1q38 n THR 74 Ca 0.05 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.93 1q38 n THR 74 Cb 0.47 0.00 0.10 0.00 -1.82 0.00 0.00 70.33 69.08 1q38 n THR 74 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1q38 n SER 75 N 2.31 -1.04 -3.28 8.00 2.88 -1.26 -5.09 113.62 116.13 1q38 n SER 75 Ca 0.00 -0.90 -0.11 0.00 -1.33 0.00 0.00 58.87 56.53 1q38 n SER 75 Cb 0.00 -0.43 -0.01 0.00 -0.75 0.00 0.00 64.21 63.02 1q38 n SER 75 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1q38 s THR 76 N -1.95 0.00 -0.16 2.46 2.01 -1.26 -4.36 115.64 112.38 1q38 s THR 76 Ca 0.31 -1.26 0.17 0.00 0.31 0.00 0.00 61.69 61.21 1q38 s THR 76 Cb -0.02 -2.61 -0.24 0.00 0.01 0.00 0.00 72.50 69.63 1q38 s THR 76 CO 0.23 0.00 0.13 -1.20 -0.69 0.00 0.00 174.62 173.09 1q38 n SER 77 N -1.17 0.46 -3.72 3.53 7.64 -1.26 -4.92 113.62 114.18 1q38 n SER 77 Ca -0.04 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.72 1q38 n SER 77 Cb 0.61 1.12 -0.11 0.00 -1.01 0.00 0.00 64.21 64.81 1q38 n SER 77 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1q38 s THR 78 N -2.60 -0.01 -0.67 0.44 -4.23 -1.26 -5.12 115.64 102.18 1q38 s THR 78 Ca -0.09 0.05 -0.27 0.00 -1.18 0.00 0.00 61.69 60.20 1q38 s THR 78 Cb 0.07 -0.55 0.03 0.00 1.34 0.00 0.00 72.50 73.38 1q38 s THR 78 CO 0.77 0.02 1.23 -2.16 -0.54 0.00 0.00 174.62 173.93 1q38 s PRO 79 N 0.73 3.31 0.00 3.99 0.04 -1.26 -4.92 135.00 136.88 1q38 s PRO 79 Ca -0.04 -0.08 0.00 0.00 0.04 0.00 0.00 61.00 60.92 1q38 s PRO 79 Cb -0.05 -4.12 0.00 0.00 0.04 0.00 0.00 34.50 30.37 1q38 s PRO 79 CO -0.05 -1.95 0.00 0.41 0.04 0.00 0.00 177.00 175.45 1q38 n GLY 80 N 5.25 4.48 0.92 0.56 0.00 -1.26 -5.04 105.19 110.11 1q38 n GLY 80 Ca 0.05 -0.98 0.08 0.00 0.00 0.00 0.00 46.02 45.17 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 3.39 -1.57 1.61 2.88 -1.26 -4.44 113.62 114.23 1q38 n SER 81 Ca 0.00 -2.08 -0.02 0.00 -1.33 0.00 0.00 58.87 55.44 1q38 n SER 81 Cb 0.00 -0.35 0.22 0.00 -0.75 0.00 0.00 64.21 63.34 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 0.84 3.03 -1.87 -1.46 1.74 -1.26 -4.88 116.66 112.80 1q38 n ARG 82 Ca 0.17 -2.09 -0.06 0.00 -0.77 0.00 0.00 57.85 55.10 1q38 n ARG 82 Cb 0.54 -1.94 0.01 0.00 -1.02 0.00 0.00 32.46 30.04 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 0.07 1.08 -3.59 0.55 7.64 -1.26 -5.00 113.62 113.10 1q38 n SER 83 Ca 0.26 -1.47 -0.41 0.00 1.01 0.00 0.00 58.87 58.26 1q38 n SER 83 Cb 1.03 -0.06 -0.01 0.00 -1.01 0.00 0.00 64.21 64.16 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 -1.07 2.87 -0.98 1.43 8.25 -1.26 -4.97 115.22 119.48 1q38 n HIS 84 Ca 0.02 -2.93 -0.29 0.00 -0.26 0.00 0.00 57.72 54.26 1q38 n HIS 84 Cb 0.17 -2.22 0.18 0.00 1.12 0.00 0.00 29.99 29.23 1q38 n HIS 84 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1q38 s HIS 85 N 1.22 1.96 -0.44 4.41 3.76 -1.26 -4.46 115.29 120.48 1q38 s HIS 85 Ca 0.53 1.25 -0.20 0.00 -0.15 0.00 0.00 55.06 56.48 1q38 s HIS 85 Cb 0.15 -3.18 0.03 0.00 1.11 0.00 0.00 32.58 30.68 1q38 s HIS 85 CO -0.06 -2.90 0.62 1.58 -0.85 0.00 0.00 174.74 173.12 1q38 n HIS 86 N -4.24 -3.33 -2.72 1.40 -0.00 -1.26 -4.91 115.22 100.16 1q38 n HIS 86 Ca 0.06 1.35 -0.40 0.00 0.46 0.00 0.00 57.72 59.20 1q38 n HIS 86 Cb 0.55 -3.64 0.01 0.00 -0.12 0.00 0.00 29.99 26.79 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 -0.31 2.86 -4.36 1.57 1.44 -1.26 -4.99 115.22 110.16 1q38 n HIS 87 Ca 0.08 -2.74 -0.27 0.00 -2.01 0.00 0.00 57.72 52.78 1q38 n HIS 87 Cb 0.51 -1.12 -0.11 0.00 0.12 0.00 0.00 29.99 29.39 1q38 n HIS 87 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 1q38 s HIS 88 N -4.05 2.46 -2.35 -1.40 3.76 -1.26 -5.29 115.29 107.15 1q38 s HIS 88 Ca 0.39 -0.29 0.29 0.00 -0.15 0.00 0.00 55.06 55.30 1q38 s HIS 88 Cb 0.18 -1.22 1.30 0.00 1.11 0.00 0.00 32.58 33.96 1q38 s HIS 88 CO -0.10 0.50 1.89 0.72 -0.85 0.00 0.00 174.74 176.89