#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 1.07 0.00 0.03 5.12 -1.26 -5.10 116.66 116.52 1q38 n ARG 2 Ca 0.00 -1.53 0.00 0.00 -1.93 0.00 0.00 57.85 54.39 1q38 n ARG 2 Cb 0.00 0.05 0.00 0.00 -1.16 0.00 0.00 32.46 31.35 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 -0.74 0.78 3.57 -0.13 0.00 -1.26 -5.07 105.19 102.35 1q38 n GLY 3 Ca -0.09 0.59 -0.33 0.00 0.00 0.00 0.00 46.02 46.20 1q38 n GLY 3 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1q38 s SER 4 N 0.00 5.64 -0.31 1.61 1.04 -1.26 -4.78 113.70 115.64 1q38 s SER 4 Ca 0.00 -1.67 0.04 0.00 0.48 0.00 0.00 55.95 54.80 1q38 s SER 4 Cb 0.00 -2.58 0.18 0.00 0.10 0.00 0.00 66.02 63.72 1q38 s SER 4 CO 0.00 -2.40 0.50 0.20 0.98 0.00 0.00 173.24 172.52 1q38 s ASN 5 N 6.05 -0.54 -0.06 7.02 -0.87 -1.26 -5.04 114.94 120.23 1q38 s ASN 5 Ca 0.63 -0.27 -0.27 0.00 -1.57 0.00 0.00 52.86 51.38 1q38 s ASN 5 Cb -0.00 1.52 -0.22 0.00 -0.02 0.00 0.00 41.25 42.53 1q38 s ASN 5 CO 0.07 -0.31 1.10 0.00 -2.57 0.00 0.00 177.10 175.40 1q38 h ALA 6 N 7.92 0.01 -2.59 0.60 0.00 -2.08 -3.44 119.26 119.67 1q38 h ALA 6 Ca -0.03 -0.34 -0.53 0.00 0.00 0.00 0.00 54.91 54.01 1q38 h ALA 6 Cb 1.15 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.96 1q38 h ALA 6 CO 0.20 -0.14 0.61 -1.25 0.00 0.00 0.00 179.25 178.67 1q38 s PRO 7 N -3.56 4.42 -0.24 0.00 0.04 -1.26 -5.03 135.00 129.37 1q38 s PRO 7 Ca -0.17 1.92 -0.06 0.00 0.04 0.00 0.00 61.00 62.74 1q38 s PRO 7 Cb 0.00 -3.26 -0.02 0.00 0.04 0.00 0.00 34.50 31.26 1q38 s PRO 7 CO 0.69 -0.24 0.02 -0.65 0.04 0.00 0.00 177.00 176.86 1q38 s GLN 8 N 0.42 3.55 0.00 4.56 -0.21 -1.26 -5.04 119.66 121.68 1q38 s GLN 8 Ca 0.58 -0.54 -0.01 0.00 0.02 0.00 0.00 55.36 55.41 1q38 s GLN 8 Cb -0.33 -3.20 -0.00 0.00 1.00 0.00 0.00 33.01 30.48 1q38 s GLN 8 CO 0.34 -0.19 0.81 -1.00 -2.12 0.00 0.00 175.29 173.13 1q38 h PRO 9 N 8.18 -0.02 -0.13 2.91 0.13 -1.95 -3.45 132.00 137.66 1q38 h PRO 9 Ca -0.40 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.58 1q38 h PRO 9 Cb 1.17 0.01 -0.14 0.00 0.13 0.00 0.00 31.00 32.16 1q38 h PRO 9 CO 0.59 -0.02 -0.34 0.43 -0.23 0.00 0.00 178.00 178.43 1q38 n SER 10 N -2.08 -2.43 0.00 1.44 7.64 -1.26 -5.06 113.62 111.86 1q38 n SER 10 Ca -0.00 -2.68 0.00 0.00 1.01 0.00 0.00 58.87 57.20 1q38 n SER 10 Cb 0.01 1.44 0.00 0.00 -1.01 0.00 0.00 64.21 64.65 1q38 n SER 10 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1q38 n HIS 11 N 1.83 0.00 -3.83 1.43 8.25 -1.26 -3.94 115.22 117.70 1q38 n HIS 11 Ca 0.08 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.23 1q38 n HIS 11 Cb 0.64 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.71 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 5.31 0.23 1.59 2.07 -1.26 -5.00 121.20 124.14 1q38 s ILE 12 Ca 0.00 -0.21 -0.08 0.00 -1.41 0.00 0.00 60.65 58.95 1q38 s ILE 12 Cb 0.00 -3.62 0.24 0.00 0.13 0.00 0.00 42.46 39.21 1q38 s ILE 12 CO 0.00 0.13 1.65 0.28 -1.91 0.00 0.00 174.94 175.09 1q38 h SER 13 N 3.07 -0.26 -2.85 4.50 0.02 -1.81 -3.39 113.55 112.83 1q38 h SER 13 Ca -0.46 0.17 0.17 0.00 -0.84 0.00 0.00 61.79 60.83 1q38 h SER 13 Cb 1.16 0.29 -0.29 0.00 0.14 0.00 0.00 62.40 63.70 1q38 h SER 13 CO 0.74 -0.13 0.78 -1.59 -1.14 0.00 0.00 176.83 175.49 1q38 s LYS 14 N -6.12 0.21 -0.11 3.45 -2.85 -1.01 -4.85 119.74 108.47 1q38 s LYS 14 Ca -0.13 0.16 -0.04 0.00 -1.00 0.00 0.00 55.97 54.95 1q38 s LYS 14 Cb 0.21 0.10 -0.04 0.00 -2.06 0.00 0.00 37.83 36.04 1q38 s LYS 14 CO 0.75 -0.04 0.06 -0.47 0.10 0.00 0.00 175.35 175.75 1q38 s TYR 15 N -0.36 3.35 -0.13 1.78 6.14 -0.98 -1.04 117.35 126.11 1q38 s TYR 15 Ca 0.06 0.32 0.01 0.00 0.64 0.00 0.00 57.07 58.10 1q38 s TYR 15 Cb -0.03 -1.88 -0.01 0.00 0.42 0.00 0.00 41.96 40.46 1q38 s TYR 15 CO -0.10 0.55 -0.16 0.42 0.64 0.00 0.00 175.55 176.90 1q38 s ILE 16 N -0.82 2.72 -0.34 3.14 -1.09 0.14 -0.67 121.20 124.27 1q38 s ILE 16 Ca 0.13 -0.78 -0.10 0.00 -2.23 0.00 0.00 60.65 57.67 1q38 s ILE 16 Cb -0.12 -2.12 0.01 0.00 -1.58 0.00 0.00 42.46 38.66 1q38 s ILE 16 CO 0.03 0.53 0.17 -0.22 -1.23 0.00 0.00 174.94 174.22 1q38 s LEU 17 N 0.42 4.35 -0.10 2.97 2.96 0.31 -0.73 118.68 128.85 1q38 s LEU 17 Ca -0.12 -0.77 0.03 0.00 -0.22 0.00 0.00 54.13 53.05 1q38 s LEU 17 Cb -0.16 -1.99 0.00 0.00 0.50 0.00 0.00 46.19 44.54 1q38 s LEU 17 CO 0.06 -0.28 -0.21 0.00 -1.32 0.00 0.00 176.35 174.60 1q38 s ARG 18 N 1.57 2.73 -0.02 1.98 1.70 0.29 -1.40 118.95 125.80 1q38 s ARG 18 Ca 0.03 -0.77 -0.19 0.00 -0.47 0.00 0.00 55.73 54.34 1q38 s ARG 18 Cb -0.18 -2.12 0.03 0.00 -0.57 0.00 0.00 34.95 32.11 1q38 s ARG 18 CO 0.06 0.11 0.40 1.67 -1.08 0.00 0.00 175.30 176.46 1q38 s TRP 19 N 0.51 -0.30 0.11 5.89 -2.14 -1.08 0.31 118.94 122.24 1q38 s TRP 19 Ca -0.16 0.47 -0.10 0.00 2.66 0.00 0.00 56.10 58.97 1q38 s TRP 19 Cb -0.17 0.17 0.01 0.00 -3.10 0.00 0.00 33.47 30.38 1q38 s TRP 19 CO 0.06 -0.45 0.25 -0.98 -2.66 0.00 0.00 176.95 173.17 1q38 s ARG 20 N -1.32 0.94 -0.13 3.25 1.70 -0.72 -1.73 118.95 120.94 1q38 s ARG 20 Ca -0.13 -0.94 -0.30 0.00 -0.47 0.00 0.00 55.73 53.89 1q38 s ARG 20 Cb -0.04 0.38 -0.08 0.00 -0.57 0.00 0.00 34.95 34.64 1q38 s ARG 20 CO 0.06 -0.32 2.10 -2.30 -1.08 0.00 0.00 175.30 173.75 1q38 n PRO 21 N -0.12 2.19 0.19 3.89 -0.02 -1.26 -1.04 135.00 138.83 1q38 n PRO 21 Ca -0.14 0.71 0.06 0.00 -2.02 0.00 0.00 63.50 62.11 1q38 n PRO 21 Cb 0.63 -3.01 0.53 0.00 -0.02 0.00 0.00 33.50 31.63 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 12.60 0.11 0.01 -0.52 3.11 -1.81 0.26 116.57 130.32 1q38 h LYS 22 Ca -0.44 -0.01 -0.39 0.00 -2.81 0.00 0.00 60.65 57.00 1q38 h LYS 22 Cb 1.25 -0.02 -0.07 0.00 -1.00 0.00 0.00 32.23 32.39 1q38 h LYS 22 CO 0.96 0.17 -2.44 0.27 -2.81 0.00 0.00 179.45 175.59 1q38 n ASN 23 N -4.42 1.75 -0.10 4.20 0.23 -1.26 -4.34 115.26 111.32 1q38 n ASN 23 Ca -0.02 -0.10 0.15 0.00 -0.53 0.00 0.00 54.58 54.08 1q38 n ASN 23 Cb 0.16 -0.27 0.72 0.00 -2.08 0.00 0.00 39.78 38.31 1q38 n ASN 23 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 1q38 n SER 24 N -3.21 0.36 -3.86 0.53 2.88 -1.21 -4.91 113.62 104.20 1q38 n SER 24 Ca -0.44 -0.69 -0.31 0.00 -1.33 0.00 0.00 58.87 56.10 1q38 n SER 24 Cb 1.01 -0.09 -0.06 0.00 -0.75 0.00 0.00 64.21 64.32 1q38 n SER 24 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1q38 n VAL 25 N -0.92 -0.14 -0.03 2.46 0.24 0.92 -4.89 118.33 115.96 1q38 n VAL 25 Ca 0.17 -0.07 0.00 0.00 -2.04 0.00 0.00 64.34 62.40 1q38 n VAL 25 Cb 0.24 -0.46 0.00 0.00 -1.47 0.00 0.00 33.84 32.15 1q38 n VAL 25 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1q38 n GLY 26 N -1.17 -1.12 3.76 7.63 0.00 -1.25 -4.95 105.19 108.09 1q38 n GLY 26 Ca 0.03 -1.57 -0.29 0.00 0.00 0.00 0.00 46.02 44.19 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 -0.12 1.09 0.49 1.61 1.81 -1.26 -4.66 118.95 117.91 1q38 s ARG 27 Ca 0.00 0.40 0.08 0.00 -1.72 0.00 0.00 55.73 54.49 1q38 s ARG 27 Cb 0.00 -1.82 0.04 0.00 -0.45 0.00 0.00 34.95 32.72 1q38 s ARG 27 CO 0.00 -2.25 0.67 -1.58 -0.68 0.00 0.00 175.30 171.45 1q38 s TRP 28 N -3.18 2.30 -0.00 -0.53 0.52 -1.26 -4.41 118.94 112.38 1q38 s TRP 28 Ca 0.64 -0.49 0.01 0.00 0.02 0.00 0.00 56.10 56.28 1q38 s TRP 28 Cb -0.16 -2.35 -0.00 0.00 -1.15 0.00 0.00 33.47 29.81 1q38 s TRP 28 CO 0.54 -0.72 -0.03 0.15 0.02 0.00 0.00 176.95 176.91 1q38 s LYS 29 N -4.50 0.30 -0.06 4.98 1.02 -0.71 -4.92 119.74 115.85 1q38 s LYS 29 Ca 0.58 -0.12 0.06 0.00 0.02 0.00 0.00 55.97 56.50 1q38 s LYS 29 Cb -0.08 -0.30 -0.01 0.00 -0.52 0.00 0.00 37.83 36.92 1q38 s LYS 29 CO 0.36 0.07 -0.24 -1.21 -0.92 0.00 0.00 175.35 173.40 1q38 s GLU 30 N -0.03 2.56 -0.10 1.68 2.02 -1.23 -2.62 118.70 120.98 1q38 s GLU 30 Ca 0.01 -0.89 -0.03 0.00 0.02 0.00 0.00 54.97 54.08 1q38 s GLU 30 Cb -0.02 -2.14 0.05 0.00 0.10 0.00 0.00 34.13 32.12 1q38 s GLU 30 CO -0.00 0.35 0.11 0.00 0.02 0.00 0.00 175.26 175.74 1q38 s ALA 31 N -0.09 0.11 0.12 5.21 0.00 -0.49 -4.91 121.76 121.70 1q38 s ALA 31 Ca -0.05 0.20 -0.24 0.00 0.00 0.00 0.00 51.96 51.87 1q38 s ALA 31 Cb -0.14 -0.83 -0.07 0.00 0.00 0.00 0.00 23.12 22.07 1q38 s ALA 31 CO 0.04 -0.72 0.73 0.99 0.00 0.00 0.00 175.76 176.80 1q38 s THR 32 N 2.22 4.51 -0.22 0.00 2.01 -1.26 -0.53 115.64 122.37 1q38 s THR 32 Ca 0.04 1.59 -0.03 0.00 0.31 0.00 0.00 61.69 63.60 1q38 s THR 32 Cb -0.13 -4.08 0.07 0.00 0.01 0.00 0.00 72.50 68.37 1q38 s THR 32 CO -0.06 0.50 0.06 -0.63 -0.69 0.00 0.00 174.62 173.81 1q38 s ILE 33 N -0.93 0.44 -0.88 1.82 1.01 0.15 -4.96 121.20 117.85 1q38 s ILE 33 Ca 0.35 -0.68 -0.26 0.00 0.00 0.00 0.00 60.65 60.05 1q38 s ILE 33 Cb -0.22 -1.08 -0.17 0.00 0.01 0.00 0.00 42.46 41.01 1q38 s ILE 33 CO 0.24 -0.36 2.32 -2.84 0.00 0.00 0.00 174.94 174.30 1q38 s PRO 34 N 1.88 1.45 -1.60 2.79 0.02 -1.26 -2.33 135.00 135.96 1q38 s PRO 34 Ca 0.02 0.21 0.00 0.00 0.02 0.00 0.00 61.00 61.26 1q38 s PRO 34 Cb -0.17 -4.84 0.00 0.00 0.02 0.00 0.00 34.50 29.51 1q38 s PRO 34 CO -0.15 -4.80 0.00 0.41 -0.33 0.00 0.00 177.00 172.14 1q38 n GLY 35 N 6.62 0.37 2.65 0.52 0.00 -1.25 -3.93 105.19 110.16 1q38 n GLY 35 Ca 0.45 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.42 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 -3.07 -4.21 0.23 1.61 8.25 -1.19 -4.87 115.22 111.96 1q38 n HIS 36 Ca -0.19 2.40 0.12 0.00 -0.26 0.00 0.00 57.72 59.79 1q38 n HIS 36 Cb 0.61 -3.77 0.45 0.00 1.12 0.00 0.00 29.99 28.40 1q38 n HIS 36 CO 0.00 0.00 0.00 1.37 0.64 0.00 0.00 176.34 178.35 1q38 h LEU 37 N 4.10 0.00 0.00 2.41 -0.00 -1.90 -3.47 115.31 116.44 1q38 h LEU 37 Ca -0.49 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.39 1q38 h LEU 37 Cb 1.12 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.78 1q38 h LEU 37 CO 0.02 0.16 0.00 -3.20 -0.00 0.00 0.00 178.44 175.42 1q38 n ASN 38 N -3.26 0.00 -3.98 0.17 2.85 -1.26 -5.13 115.26 104.65 1q38 n ASN 38 Ca 0.01 0.00 -0.28 0.00 -0.11 0.00 0.00 54.58 54.20 1q38 n ASN 38 Cb 0.43 0.00 -0.17 0.00 1.24 0.00 0.00 39.78 41.29 1q38 n ASN 38 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 1q38 s SER 39 N 2.00 2.34 -0.35 1.20 1.04 -1.26 -5.10 113.70 113.57 1q38 s SER 39 Ca 0.00 -0.38 -0.01 0.00 0.48 0.00 0.00 55.95 56.04 1q38 s SER 39 Cb 0.00 -0.99 0.09 0.00 0.10 0.00 0.00 66.02 65.22 1q38 s SER 39 CO 0.00 -0.06 0.09 -0.47 0.98 0.00 0.00 173.24 173.78 1q38 s TYR 40 N 1.43 3.52 0.01 5.02 6.14 -1.26 -5.09 117.35 127.12 1q38 s TYR 40 Ca 0.01 -2.40 0.06 0.00 0.64 0.00 0.00 57.07 55.38 1q38 s TYR 40 Cb -0.13 -2.77 -0.03 0.00 0.42 0.00 0.00 41.96 39.45 1q38 s TYR 40 CO -0.07 -0.92 -0.18 -0.08 0.64 0.00 0.00 175.55 174.95 1q38 s THR 41 N 1.11 2.81 -0.15 4.34 -1.32 -1.26 -5.11 115.64 116.06 1q38 s THR 41 Ca 0.04 -1.03 -0.23 0.00 -1.21 0.00 0.00 61.69 59.26 1q38 s THR 41 Cb -0.21 -2.14 -0.02 0.00 -1.51 0.00 0.00 72.50 68.62 1q38 s THR 41 CO -0.04 0.44 0.73 -0.63 -2.21 0.00 0.00 174.62 172.91 1q38 s ILE 42 N -0.83 4.97 0.40 5.08 1.01 -1.26 -5.06 121.20 125.51 1q38 s ILE 42 Ca 0.13 1.44 0.08 0.00 0.00 0.00 0.00 60.65 62.30 1q38 s ILE 42 Cb -0.10 -4.05 0.00 0.00 0.01 0.00 0.00 42.46 38.32 1q38 s ILE 42 CO 0.03 0.12 0.52 -1.59 0.00 0.00 0.00 174.94 174.01 1q38 s LYS 43 N 1.69 2.84 4.09 2.79 -2.85 -1.26 -4.98 119.74 122.07 1q38 s LYS 43 Ca 0.35 -1.24 0.00 0.00 -1.00 0.00 0.00 55.97 54.08 1q38 s LYS 43 Cb -0.17 -2.71 0.00 0.00 -2.06 0.00 0.00 37.83 32.89 1q38 s LYS 43 CO 0.13 -0.18 0.00 0.41 0.10 0.00 0.00 175.35 175.81 1q38 n GLY 44 N -1.75 0.47 7.00 0.59 0.00 -1.26 -5.03 105.19 105.21 1q38 n GLY 44 Ca 0.06 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.17 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 -4.84 117.00 112.88 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 -0.09 0.00 -2.33 0.00 0.00 43.42 41.00 1q38 n LEU 45 CO 0.00 -1.12 -0.02 -1.59 -1.33 0.00 0.00 177.39 173.32 1q38 s LYS 46 N 0.00 0.55 -0.21 3.23 -2.85 -1.26 -4.80 119.74 114.40 1q38 s LYS 46 Ca 0.00 -0.06 -0.03 0.00 -1.00 0.00 0.00 55.97 54.88 1q38 s LYS 46 Cb 0.00 0.25 0.01 0.00 -2.06 0.00 0.00 37.83 36.03 1q38 s LYS 46 CO 0.00 -0.13 2.61 -0.35 0.10 0.00 0.00 175.35 177.57 1q38 n PRO 47 N 1.75 1.84 -0.00 1.78 -0.04 -1.26 0.10 135.00 139.17 1q38 n PRO 47 Ca -0.19 -1.30 0.04 0.00 -0.04 0.00 0.00 63.50 62.01 1q38 n PRO 47 Cb 0.56 -1.72 -0.07 0.00 -0.04 0.00 0.00 33.50 32.24 1q38 n PRO 47 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1q38 n GLY 48 N 1.25 -0.34 3.27 0.55 0.00 -1.26 -4.72 105.19 103.94 1q38 n GLY 48 Ca 0.32 -0.21 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.53 2.00 0.40 1.61 0.11 -1.25 -5.09 120.40 115.64 1q38 s VAL 49 Ca -0.03 -1.05 -0.23 0.00 -2.93 0.00 0.00 61.98 57.74 1q38 s VAL 49 Cb 0.06 -1.68 -0.10 0.00 -1.53 0.00 0.00 36.38 33.13 1q38 s VAL 49 CO 0.36 0.56 1.00 0.54 -3.33 0.00 0.00 175.10 174.23 1q38 s VAL 50 N -0.29 4.02 0.06 2.04 0.11 -1.26 -4.06 120.40 121.01 1q38 s VAL 50 Ca 0.01 1.47 0.05 0.00 -2.93 0.00 0.00 61.98 60.58 1q38 s VAL 50 Cb -0.12 -3.72 -0.03 0.00 -1.53 0.00 0.00 36.38 30.98 1q38 s VAL 50 CO 0.02 -0.07 -0.14 -0.31 -3.33 0.00 0.00 175.10 171.27 1q38 s TYR 51 N -1.81 1.25 -0.14 1.54 2.02 -0.68 -3.15 117.35 116.37 1q38 s TYR 51 Ca 0.58 -0.41 -0.02 0.00 -0.37 0.00 0.00 57.07 56.85 1q38 s TYR 51 Cb -0.17 -0.72 -0.02 0.00 -0.40 0.00 0.00 41.96 40.65 1q38 s TYR 51 CO 0.22 0.05 -0.09 -1.83 -1.57 0.00 0.00 175.55 172.34 1q38 s GLU 52 N -1.50 3.51 -0.07 -0.62 4.04 -0.21 -0.87 118.70 122.98 1q38 s GLU 52 Ca -0.00 -0.61 0.02 0.00 0.04 0.00 0.00 54.97 54.42 1q38 s GLU 52 Cb -0.09 -2.76 -0.02 0.00 0.02 0.00 0.00 34.13 31.28 1q38 s GLU 52 CO 0.02 0.22 -0.14 0.20 -1.84 0.00 0.00 175.26 173.72 1q38 s GLY 53 N 0.37 1.54 -0.07 -3.83 0.00 0.12 -1.75 107.32 103.70 1q38 s GLY 53 Ca -0.08 -0.95 -0.00 0.00 0.00 0.00 0.00 44.72 43.69 1q38 s GLY 53 CO 0.04 -0.59 -0.03 1.20 0.00 0.00 0.00 173.10 173.72 1q38 s GLN 54 N -0.41 0.88 -0.36 2.90 -1.52 0.15 -0.89 119.66 120.41 1q38 s GLN 54 Ca 0.05 -0.05 -0.08 0.00 -1.95 0.00 0.00 55.36 53.34 1q38 s GLN 54 Cb -0.12 -1.05 0.04 0.00 -0.22 0.00 0.00 33.01 31.67 1q38 s GLN 54 CO 0.02 -0.21 0.15 -0.51 -0.25 0.00 0.00 175.29 174.49 1q38 s LEU 55 N 1.52 4.55 -0.23 2.90 1.43 -0.25 -0.54 118.68 128.05 1q38 s LEU 55 Ca -0.01 -1.19 -0.04 0.00 -1.03 0.00 0.00 54.13 51.86 1q38 s LEU 55 Cb -0.13 -1.92 -0.00 0.00 0.03 0.00 0.00 46.19 44.17 1q38 s LEU 55 CO -0.04 -0.38 -0.04 -0.63 0.23 0.00 0.00 176.35 175.50 1q38 s ILE 56 N 1.43 3.31 -0.14 -0.59 -1.09 0.09 -1.17 121.20 123.04 1q38 s ILE 56 Ca -0.00 -0.61 -0.11 0.00 -2.23 0.00 0.00 60.65 57.70 1q38 s ILE 56 Cb -0.20 -2.55 -0.05 0.00 -1.58 0.00 0.00 42.46 38.08 1q38 s ILE 56 CO 0.03 0.36 0.22 -0.55 -1.23 0.00 0.00 174.94 173.77 1q38 s SER 57 N 1.45 6.40 -0.15 3.58 0.15 0.21 0.23 113.70 125.57 1q38 s SER 57 Ca 0.05 0.47 -0.01 0.00 0.70 0.00 0.00 55.95 57.16 1q38 s SER 57 Cb -0.15 -2.13 -0.01 0.00 -1.71 0.00 0.00 66.02 62.02 1q38 s SER 57 CO -0.03 0.23 -0.11 -0.63 1.20 0.00 0.00 173.24 173.90 1q38 s ILE 58 N -0.14 3.12 0.45 6.45 1.01 -0.21 -2.10 121.20 129.77 1q38 s ILE 58 Ca 0.14 -0.62 0.02 0.00 0.00 0.00 0.00 60.65 60.19 1q38 s ILE 58 Cb -0.13 -2.34 0.08 0.00 0.01 0.00 0.00 42.46 40.09 1q38 s ILE 58 CO 0.03 0.50 0.62 0.00 0.00 0.00 0.00 174.94 176.09 1q38 n GLN 59 N 3.83 0.35 0.10 2.79 1.13 -0.66 -2.39 117.38 122.54 1q38 n GLN 59 Ca -0.18 -1.91 -0.02 0.00 -1.94 0.00 0.00 57.00 52.95 1q38 n GLN 59 Cb 0.52 -0.34 0.24 0.00 0.11 0.00 0.00 30.24 30.77 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 0.22 -0.64 -1.09 3.07 -1.97 -2.64 115.11 112.07 1q38 h GLN 60 Ca -0.21 -0.10 0.00 0.00 0.09 0.00 0.00 58.65 58.43 1q38 h GLN 60 Cb 0.82 -0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.38 1q38 h GLN 60 CO 0.24 0.59 0.00 0.66 0.09 0.00 0.00 178.83 180.42 1q38 n TYR 61 N -4.03 1.56 0.00 0.06 4.01 -1.26 -5.03 117.16 112.46 1q38 n TYR 61 Ca -0.01 -0.63 0.00 0.00 -0.16 0.00 0.00 57.90 57.09 1q38 n TYR 61 Cb 0.47 -0.28 0.00 0.00 -0.31 0.00 0.00 39.34 39.22 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 1.04 2.97 3.60 2.72 0.00 -0.99 -5.07 105.19 109.45 1q38 n GLY 62 Ca 0.26 -1.98 -0.30 0.00 0.00 0.00 0.00 46.02 44.00 1q38 n GLY 62 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1q38 s HIS 63 N -2.90 1.49 0.00 1.61 -3.43 -1.26 -1.65 115.29 109.16 1q38 s HIS 63 Ca 0.00 1.55 0.00 0.00 -0.80 0.00 0.00 55.06 55.81 1q38 s HIS 63 Cb 0.00 -3.24 0.00 0.00 -1.43 0.00 0.00 32.58 27.91 1q38 s HIS 63 CO 0.00 -3.27 0.00 0.00 -2.00 0.00 0.00 174.74 169.47 1q38 n GLN 64 N -4.54 0.00 -3.72 -0.38 10.64 -0.89 -4.73 117.38 113.76 1q38 n GLN 64 Ca 0.08 0.00 -0.24 0.00 -1.83 0.00 0.00 57.00 55.01 1q38 n GLN 64 Cb 0.53 0.00 -0.17 0.00 -0.86 0.00 0.00 30.24 29.74 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 0.43 -0.01 2.61 2.56 -1.21 -5.01 118.70 118.07 1q38 s GLU 65 Ca 0.00 -0.02 0.02 0.00 0.00 0.00 0.00 54.97 54.97 1q38 s GLU 65 Cb 0.00 -1.33 -0.00 0.00 2.00 0.00 0.00 34.13 34.80 1q38 s GLU 65 CO 0.00 -0.45 -0.05 0.54 -0.56 0.00 0.00 175.26 174.74 1q38 s VAL 66 N 2.00 0.40 -0.01 3.70 0.11 -1.25 0.68 120.40 126.03 1q38 s VAL 66 Ca 0.03 -0.20 0.01 0.00 -2.93 0.00 0.00 61.98 58.89 1q38 s VAL 66 Cb -0.14 -0.35 0.01 0.00 -1.53 0.00 0.00 36.38 34.37 1q38 s VAL 66 CO -0.06 0.12 -0.03 -0.89 -3.33 0.00 0.00 175.10 170.91 1q38 s THR 67 N -0.02 0.28 -0.15 5.04 2.01 -0.32 -4.96 115.64 117.53 1q38 s THR 67 Ca 0.01 -0.08 -0.02 0.00 0.31 0.00 0.00 61.69 61.90 1q38 s THR 67 Cb -0.03 -0.29 -0.02 0.00 0.01 0.00 0.00 72.50 72.17 1q38 s THR 67 CO -0.00 0.11 -0.08 -0.13 -0.69 0.00 0.00 174.62 173.84 1q38 s ARG 68 N 0.33 3.54 -0.23 4.92 0.52 -1.26 -1.09 118.95 125.67 1q38 s ARG 68 Ca -0.03 -0.59 -0.12 0.00 -0.52 0.00 0.00 55.73 54.46 1q38 s ARG 68 Cb -0.06 -2.80 0.08 0.00 0.52 0.00 0.00 34.95 32.68 1q38 s ARG 68 CO -0.01 0.21 0.55 -0.59 0.02 0.00 0.00 175.30 175.49 1q38 s PHE 69 N 0.41 -0.90 -0.11 -0.53 -0.71 -0.07 -5.03 117.98 111.04 1q38 s PHE 69 Ca -0.07 1.78 -0.15 0.00 -1.04 0.00 0.00 56.93 57.45 1q38 s PHE 69 Cb -0.15 0.48 -0.05 0.00 -1.21 0.00 0.00 43.02 42.10 1q38 s PHE 69 CO 0.04 -0.47 0.36 0.16 -1.34 0.00 0.00 175.22 173.96 1q38 s ASP 70 N 1.78 6.58 0.04 1.98 1.47 -1.26 0.12 116.67 127.37 1q38 s ASP 70 Ca -0.09 0.68 0.02 0.00 1.18 0.00 0.00 52.55 54.34 1q38 s ASP 70 Cb -0.08 -2.22 -0.02 0.00 -0.34 0.00 0.00 42.92 40.26 1q38 s ASP 70 CO -0.16 0.14 -0.07 0.72 0.68 0.00 0.00 175.17 176.48 1q38 s PHE 71 N 0.09 0.62 0.39 2.11 -0.71 -0.05 -4.93 117.98 115.51 1q38 s PHE 71 Ca 0.20 -0.54 0.08 0.00 -1.04 0.00 0.00 56.93 55.63 1q38 s PHE 71 Cb -0.14 -0.38 -0.03 0.00 -1.21 0.00 0.00 43.02 41.26 1q38 s PHE 71 CO 0.08 -0.11 0.28 0.95 -1.34 0.00 0.00 175.22 175.07 1q38 s THR 72 N -1.57 2.77 0.00 -4.49 -4.23 -1.26 -1.69 115.64 105.17 1q38 s THR 72 Ca -0.09 -1.49 0.00 0.00 -1.18 0.00 0.00 61.69 58.92 1q38 s THR 72 Cb -0.09 -3.02 0.00 0.00 1.34 0.00 0.00 72.50 70.73 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 -1.38 -0.64 0.00 3.99 -1.04 -1.26 -4.97 114.28 108.98 1q38 n THR 73 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 1q38 n THR 73 Cb 0.62 -2.09 0.00 0.00 -1.82 0.00 0.00 70.33 67.04 1q38 n THR 73 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 1q38 n THR 74 N -0.79 0.00 -4.66 12.58 5.66 0.28 -4.57 114.28 122.79 1q38 n THR 74 Ca 0.00 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.70 1q38 n THR 74 Cb 0.32 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.02 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 0.00 3.57 -0.03 1.09 0.15 -1.22 -4.23 113.70 113.03 1q38 s SER 75 Ca 0.00 -1.70 -0.03 0.00 0.70 0.00 0.00 55.95 54.92 1q38 s SER 75 Cb 0.00 0.59 -0.02 0.00 -1.71 0.00 0.00 66.02 64.89 1q38 s SER 75 CO 0.00 -0.93 0.25 0.00 1.20 0.00 0.00 173.24 173.76 1q38 h THR 76 N 1.51 0.00 -2.85 6.45 1.03 -1.97 -3.46 112.91 113.62 1q38 h THR 76 Ca -0.40 -0.34 -0.15 0.00 -0.01 0.00 0.00 66.41 65.52 1q38 h THR 76 Cb 1.30 0.00 -0.27 0.00 -1.07 0.00 0.00 68.15 68.11 1q38 h THR 76 CO 0.65 0.00 -0.36 -0.94 -0.01 0.00 0.00 175.52 174.86 1q38 s SER 77 N -3.82 -0.39 -0.39 0.00 1.04 -1.26 -5.09 113.70 103.79 1q38 s SER 77 Ca -0.02 0.71 0.08 0.00 0.48 0.00 0.00 55.95 57.21 1q38 s SER 77 Cb 0.00 0.64 0.25 0.00 0.10 0.00 0.00 66.02 67.01 1q38 s SER 77 CO 0.05 -0.16 0.52 0.35 0.98 0.00 0.00 173.24 174.98 1q38 n THR 78 N 3.80 -0.67 0.00 2.02 -2.24 -1.26 -5.04 114.28 110.89 1q38 n THR 78 Ca -0.20 -4.02 0.00 0.00 -2.27 0.00 0.00 64.05 57.56 1q38 n THR 78 Cb 0.55 -1.96 0.00 0.00 -2.10 0.00 0.00 70.33 66.83 1q38 n THR 78 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1q38 n PRO 79 N 1.43 0.00 -0.15 -0.78 -0.02 -1.26 -5.05 135.00 129.17 1q38 n PRO 79 Ca 0.21 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 1q38 n PRO 79 Cb 0.53 -0.97 0.00 0.00 -0.02 0.00 0.00 33.50 33.03 1q38 n PRO 79 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1q38 n GLY 80 N -0.61 0.54 0.59 -1.23 0.00 -1.26 -5.01 105.19 98.21 1q38 n GLY 80 Ca 0.00 -1.50 -0.01 0.00 0.00 0.00 0.00 46.02 44.51 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 0.00 0.44 -3.33 1.61 7.64 -1.26 -5.05 113.62 113.67 1q38 n SER 81 Ca 0.00 0.07 -0.08 0.00 1.01 0.00 0.00 58.87 59.87 1q38 n SER 81 Cb 0.00 -0.30 -0.07 0.00 -1.01 0.00 0.00 64.21 62.82 1q38 n SER 81 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1q38 s ARG 82 N -1.42 0.37 -0.03 1.43 0.52 -1.26 -5.07 118.95 113.50 1q38 s ARG 82 Ca -0.04 0.56 -0.02 0.00 -0.52 0.00 0.00 55.73 55.71 1q38 s ARG 82 Cb 0.01 -0.37 -0.01 0.00 0.52 0.00 0.00 34.95 35.10 1q38 s ARG 82 CO 0.06 -0.66 -0.03 0.77 0.02 0.00 0.00 175.30 175.45 1q38 h SER 83 N 8.16 0.00 -3.38 0.23 0.02 -1.97 -3.47 113.55 113.15 1q38 h SER 83 Ca -0.19 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 60.18 1q38 h SER 83 Cb 1.15 0.00 -0.37 0.00 0.14 0.00 0.00 62.40 63.32 1q38 h SER 83 CO 0.27 0.16 -0.80 -1.00 -1.14 0.00 0.00 176.83 174.32 1q38 s HIS 84 N -1.25 2.03 0.00 3.45 3.76 -1.26 -5.06 115.29 116.96 1q38 s HIS 84 Ca -0.03 -1.33 0.00 0.00 -0.15 0.00 0.00 55.06 53.56 1q38 s HIS 84 Cb 0.00 -1.46 0.00 0.00 1.11 0.00 0.00 32.58 32.23 1q38 s HIS 84 CO 0.04 -0.68 0.00 0.72 -0.85 0.00 0.00 174.74 173.97 1q38 n HIS 85 N 4.79 0.00 1.72 1.40 -0.00 -1.26 -5.00 115.22 116.86 1q38 n HIS 85 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.59 1q38 n HIS 85 Cb 0.47 0.00 0.01 0.00 -0.00 0.00 0.00 29.99 30.47 1q38 n HIS 85 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1q38 n HIS 86 N 0.00 0.05 -3.07 4.41 8.25 -1.26 -4.91 115.22 118.68 1q38 n HIS 86 Ca 0.00 -0.02 -0.12 0.00 -0.26 0.00 0.00 57.72 57.32 1q38 n HIS 86 Cb 0.00 -0.02 0.01 0.00 1.12 0.00 0.00 29.99 31.10 1q38 n HIS 86 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1q38 n HIS 87 N -0.33 -3.15 -3.15 4.41 -0.00 -1.26 -4.17 115.22 107.58 1q38 n HIS 87 Ca 0.01 1.26 -0.06 0.00 0.46 0.00 0.00 57.72 59.38 1q38 n HIS 87 Cb 0.07 -3.67 0.00 0.00 -0.12 0.00 0.00 29.99 26.28 1q38 n HIS 87 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 1q38 n HIS 88 N -0.83 -2.93 1.37 1.57 -0.00 -1.26 -5.28 115.22 107.86 1q38 n HIS 88 Ca 0.03 1.14 0.11 0.00 0.46 0.00 0.00 57.72 59.46 1q38 n HIS 88 Cb 0.52 -3.83 0.65 0.00 -0.12 0.00 0.00 29.99 27.21 1q38 n HIS 88 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38