#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 0.34 0.00 0.03 3.00 -1.26 -5.11 118.95 115.96 1q38 s ARG 2 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 55.73 55.81 1q38 s ARG 2 Cb 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 34.95 34.40 1q38 s ARG 2 CO 0.00 -0.16 0.00 0.41 0.00 0.00 0.00 175.30 175.55 1q38 n GLY 3 N 4.29 -0.54 3.32 -3.53 0.00 -1.26 -5.17 105.19 102.29 1q38 n GLY 3 Ca -0.23 0.84 -0.12 0.00 0.00 0.00 0.00 46.02 46.51 1q38 n GLY 3 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1q38 s SER 4 N 0.00 -0.50 0.41 1.61 0.15 -1.26 -5.17 113.70 108.93 1q38 s SER 4 Ca 0.00 0.91 0.08 0.00 0.70 0.00 0.00 55.95 57.64 1q38 s SER 4 Cb 0.00 0.86 -0.03 0.00 -1.71 0.00 0.00 66.02 65.13 1q38 s SER 4 CO 0.00 -0.17 0.29 0.54 1.20 0.00 0.00 173.24 175.09 1q38 s ASN 5 N 0.83 4.78 -0.11 5.45 4.22 -1.26 -5.14 114.94 123.71 1q38 s ASN 5 Ca -0.05 -0.88 -0.05 0.00 -2.14 0.00 0.00 52.86 49.75 1q38 s ASN 5 Cb -0.06 -0.55 0.05 0.00 1.28 0.00 0.00 41.25 41.98 1q38 s ASN 5 CO -0.06 -0.59 0.23 0.00 -2.04 0.00 0.00 177.10 174.64 1q38 s ALA 6 N -2.52 -0.48 0.28 3.54 0.00 -1.26 -5.14 121.76 116.17 1q38 s ALA 6 Ca 0.45 0.89 -0.30 0.00 0.00 0.00 0.00 51.96 53.00 1q38 s ALA 6 Cb -0.00 -0.80 -0.12 0.00 0.00 0.00 0.00 23.12 22.19 1q38 s ALA 6 CO 0.25 -0.42 1.50 -2.30 0.00 0.00 0.00 175.76 174.79 1q38 n PRO 7 N 4.83 2.40 -3.73 0.00 -0.02 -1.26 -5.00 135.00 132.22 1q38 n PRO 7 Ca -0.15 0.85 -0.30 0.00 -2.02 0.00 0.00 63.50 61.89 1q38 n PRO 7 Cb 0.51 -2.57 -0.15 0.00 -0.02 0.00 0.00 33.50 31.27 1q38 n PRO 7 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1q38 s GLN 8 N -0.59 0.70 0.01 -0.52 -0.21 -1.26 -5.01 119.66 112.77 1q38 s GLN 8 Ca 0.65 -0.98 -0.23 0.00 0.02 0.00 0.00 55.36 54.82 1q38 s GLN 8 Cb -0.56 -1.96 -0.17 0.00 1.00 0.00 0.00 33.01 31.31 1q38 s GLN 8 CO 0.50 -0.95 1.31 -1.00 -2.12 0.00 0.00 175.29 173.03 1q38 h PRO 9 N 8.12 0.19 -4.96 2.91 0.13 -2.07 -3.47 132.00 132.85 1q38 h PRO 9 Ca -0.14 -0.10 -0.47 0.00 -0.87 0.00 0.00 66.00 64.42 1q38 h PRO 9 Cb 1.02 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.02 1q38 h PRO 9 CO 0.46 0.62 -0.54 -1.12 -0.23 0.00 0.00 178.00 177.18 1q38 s SER 10 N -5.92 2.02 -0.06 1.44 0.01 -1.26 -5.18 113.70 104.76 1q38 s SER 10 Ca -0.15 -1.59 -0.20 0.00 1.31 0.00 0.00 55.95 55.32 1q38 s SER 10 Cb 0.04 0.39 0.04 0.00 0.21 0.00 0.00 66.02 66.70 1q38 s SER 10 CO 0.72 -0.89 0.45 -1.38 0.41 0.00 0.00 173.24 172.55 1q38 s HIS 11 N -3.44 -0.39 0.62 2.43 -3.43 -1.26 -5.05 115.29 104.77 1q38 s HIS 11 Ca 0.32 0.72 -0.16 0.00 -0.80 0.00 0.00 55.06 55.14 1q38 s HIS 11 Cb 0.04 0.21 -0.02 0.00 -1.43 0.00 0.00 32.58 31.38 1q38 s HIS 11 CO 0.17 -0.43 1.10 -1.50 -2.00 0.00 0.00 174.74 172.08 1q38 s ILE 12 N -0.98 3.36 0.28 -5.38 2.07 -1.26 -4.88 121.20 114.41 1q38 s ILE 12 Ca -0.10 0.67 0.01 0.00 -1.41 0.00 0.00 60.65 59.82 1q38 s ILE 12 Cb -0.03 -3.20 0.27 0.00 0.13 0.00 0.00 42.46 39.63 1q38 s ILE 12 CO 0.05 -0.36 1.78 0.28 -1.91 0.00 0.00 174.94 174.79 1q38 h SER 13 N 0.33 0.68 -3.68 4.50 0.02 -1.91 -2.52 113.55 110.97 1q38 h SER 13 Ca -0.47 0.08 0.13 0.00 -0.84 0.00 0.00 61.79 60.70 1q38 h SER 13 Cb 1.24 -0.04 -0.25 0.00 0.14 0.00 0.00 62.40 63.50 1q38 h SER 13 CO 0.55 0.29 0.68 -1.59 -1.14 0.00 0.00 176.83 175.62 1q38 s LYS 14 N -5.93 0.40 -0.13 3.45 -2.85 -0.91 -4.35 119.74 109.42 1q38 s LYS 14 Ca -0.12 0.13 -0.04 0.00 -1.00 0.00 0.00 55.97 54.94 1q38 s LYS 14 Cb 0.23 0.19 -0.03 0.00 -2.06 0.00 0.00 37.83 36.16 1q38 s LYS 14 CO 0.79 -0.12 0.00 0.71 0.10 0.00 0.00 175.35 176.84 1q38 s TYR 15 N -0.96 3.14 -0.21 1.78 2.02 0.53 -0.47 117.35 123.18 1q38 s TYR 15 Ca 0.02 -0.00 -0.02 0.00 -0.37 0.00 0.00 57.07 56.70 1q38 s TYR 15 Cb -0.01 -1.92 -0.00 0.00 -0.40 0.00 0.00 41.96 39.63 1q38 s TYR 15 CO -0.02 0.22 -0.09 0.42 -1.57 0.00 0.00 175.55 174.51 1q38 s ILE 16 N -0.15 2.99 -0.32 2.71 -1.09 0.12 -0.48 121.20 124.97 1q38 s ILE 16 Ca 0.05 -0.62 -0.10 0.00 -2.23 0.00 0.00 60.65 57.74 1q38 s ILE 16 Cb -0.13 -2.34 -0.00 0.00 -1.58 0.00 0.00 42.46 38.42 1q38 s ILE 16 CO 0.02 0.46 0.16 -0.22 -1.23 0.00 0.00 174.94 174.13 1q38 s LEU 17 N 1.40 4.22 -0.12 2.97 0.20 -0.44 -0.06 118.68 126.86 1q38 s LEU 17 Ca 0.05 -0.60 0.01 0.00 0.69 0.00 0.00 54.13 54.28 1q38 s LEU 17 Cb -0.14 -2.01 -0.01 0.00 -0.43 0.00 0.00 46.19 43.60 1q38 s LEU 17 CO -0.06 -0.23 -0.17 -0.13 -0.29 0.00 0.00 176.35 175.47 1q38 s ARG 18 N 1.61 3.26 0.11 1.98 0.52 -0.81 -1.51 118.95 124.10 1q38 s ARG 18 Ca 0.04 -0.76 -0.18 0.00 -0.52 0.00 0.00 55.73 54.32 1q38 s ARG 18 Cb -0.17 -2.52 0.04 0.00 0.52 0.00 0.00 34.95 32.81 1q38 s ARG 18 CO 0.06 0.18 0.43 1.67 0.02 0.00 0.00 175.30 177.67 1q38 s TRP 19 N 0.39 -0.26 0.20 -0.53 -2.14 -1.02 -0.37 118.94 115.20 1q38 s TRP 19 Ca -0.13 0.03 -0.22 0.00 2.66 0.00 0.00 56.10 58.44 1q38 s TRP 19 Cb -0.17 0.29 0.05 0.00 -3.10 0.00 0.00 33.47 30.54 1q38 s TRP 19 CO 0.06 -0.69 0.63 -0.98 -2.66 0.00 0.00 176.95 173.31 1q38 s ARG 20 N -3.47 1.44 -0.15 3.25 1.70 -0.36 -1.62 118.95 119.75 1q38 s ARG 20 Ca 0.01 -0.66 -0.31 0.00 -0.47 0.00 0.00 55.73 54.29 1q38 s ARG 20 Cb 0.01 0.59 -0.08 0.00 -0.57 0.00 0.00 34.95 34.89 1q38 s ARG 20 CO -0.10 -0.64 2.09 -2.30 -1.08 0.00 0.00 175.30 173.28 1q38 n PRO 21 N -0.40 2.08 -0.21 3.89 -0.02 -1.26 -2.23 135.00 136.85 1q38 n PRO 21 Ca -0.12 0.67 0.27 0.00 -2.02 0.00 0.00 63.50 62.30 1q38 n PRO 21 Cb 0.63 -2.94 0.68 0.00 -0.02 0.00 0.00 33.50 31.85 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 12.42 0.09 -0.27 -0.52 3.64 -1.71 0.25 116.57 130.47 1q38 h LYS 22 Ca -0.43 -0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 58.80 1q38 h LYS 22 Cb 1.26 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.05 1q38 h LYS 22 CO 0.96 0.06 -0.45 -0.97 -2.27 0.00 0.00 179.45 176.78 1q38 h ASN 23 N 0.09 0.74 -4.51 4.20 -0.00 -1.88 -3.45 115.58 110.77 1q38 h ASN 23 Ca 0.46 -0.36 -0.31 0.00 -0.00 0.00 0.00 56.30 56.10 1q38 h ASN 23 Cb 1.67 -0.21 0.07 0.00 -0.00 0.00 0.00 38.32 39.85 1q38 h ASN 23 CO -0.05 1.08 0.11 -0.24 -0.00 0.00 0.00 177.43 178.33 1q38 n SER 24 N -4.02 0.76 -0.09 1.15 2.88 0.88 -5.04 113.62 110.14 1q38 n SER 24 Ca -0.02 -1.68 0.02 0.00 -1.33 0.00 0.00 58.87 55.85 1q38 n SER 24 Cb 0.56 -0.47 0.02 0.00 -0.75 0.00 0.00 64.21 63.56 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 -2.51 0.64 -2.93 2.46 0.24 -1.26 -4.81 118.33 110.16 1q38 n VAL 25 Ca 0.11 -0.70 0.00 0.00 -2.04 0.00 0.00 64.34 61.71 1q38 n VAL 25 Cb 0.39 0.56 0.00 0.00 -1.47 0.00 0.00 33.84 33.32 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 -0.40 4.96 3.13 7.63 0.00 -1.26 -5.01 105.19 114.23 1q38 n GLY 26 Ca 0.02 -1.37 -0.03 0.00 0.00 0.00 0.00 46.02 44.65 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 -1.42 -2.29 1.61 1.74 -1.26 -4.41 116.66 110.64 1q38 n ARG 27 Ca 0.00 1.46 -0.28 0.00 -0.77 0.00 0.00 57.85 58.26 1q38 n ARG 27 Cb 0.00 -5.37 0.02 0.00 -1.02 0.00 0.00 32.46 26.09 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 -2.96 3.42 -0.03 -1.55 0.52 -1.26 -4.42 118.94 112.65 1q38 s TRP 28 Ca 0.02 0.87 -0.01 0.00 0.02 0.00 0.00 56.10 57.00 1q38 s TRP 28 Cb -0.00 -2.67 0.02 0.00 -1.15 0.00 0.00 33.47 29.67 1q38 s TRP 28 CO 0.77 -0.71 0.06 0.15 0.02 0.00 0.00 176.95 177.24 1q38 s LYS 29 N -5.01 0.02 -0.08 4.98 1.02 -0.64 -4.94 119.74 115.09 1q38 s LYS 29 Ca 0.53 0.18 0.05 0.00 0.02 0.00 0.00 55.97 56.75 1q38 s LYS 29 Cb -0.11 -0.13 -0.00 0.00 -0.52 0.00 0.00 37.83 37.07 1q38 s LYS 29 CO 0.48 -0.11 -0.24 -1.83 -0.92 0.00 0.00 175.35 172.73 1q38 s GLU 30 N 0.69 2.72 -0.19 1.68 -1.05 -1.24 -2.42 118.70 118.90 1q38 s GLU 30 Ca -0.06 -0.87 -0.01 0.00 -0.15 0.00 0.00 54.97 53.88 1q38 s GLU 30 Cb -0.08 -2.18 0.05 0.00 -0.44 0.00 0.00 34.13 31.49 1q38 s GLU 30 CO -0.02 0.27 -0.00 0.00 0.95 0.00 0.00 175.26 176.45 1q38 s ALA 31 N 0.10 1.27 -0.09 -0.84 0.00 -0.57 -4.91 121.76 116.73 1q38 s ALA 31 Ca -0.11 -0.81 -0.18 0.00 0.00 0.00 0.00 51.96 50.86 1q38 s ALA 31 Cb -0.16 -1.18 -0.05 0.00 0.00 0.00 0.00 23.12 21.74 1q38 s ALA 31 CO 0.06 -1.03 0.48 0.99 0.00 0.00 0.00 175.76 176.25 1q38 s THR 32 N 1.73 5.13 -0.24 0.00 2.01 -1.25 -1.32 115.64 121.70 1q38 s THR 32 Ca -0.01 0.96 -0.03 0.00 0.31 0.00 0.00 61.69 62.92 1q38 s THR 32 Cb -0.17 -3.81 0.08 0.00 0.01 0.00 0.00 72.50 68.61 1q38 s THR 32 CO -0.07 0.38 0.09 -0.63 -0.69 0.00 0.00 174.62 173.69 1q38 s ILE 33 N 0.27 0.28 -0.34 1.82 1.01 0.36 -4.90 121.20 119.70 1q38 s ILE 33 Ca 0.26 -0.71 -0.27 0.00 0.00 0.00 0.00 60.65 59.93 1q38 s ILE 33 Cb -0.16 -1.05 -0.06 0.00 0.01 0.00 0.00 42.46 41.21 1q38 s ILE 33 CO 0.11 -0.48 2.30 -2.84 0.00 0.00 0.00 174.94 174.03 1q38 s PRO 34 N 1.95 2.67 2.83 2.79 0.02 -1.26 -0.35 135.00 143.65 1q38 s PRO 34 Ca 0.05 1.75 0.00 0.00 0.02 0.00 0.00 61.00 62.82 1q38 s PRO 34 Cb -0.17 -4.47 0.00 0.00 0.02 0.00 0.00 34.50 29.89 1q38 s PRO 34 CO -0.21 -2.63 0.00 0.41 -0.33 0.00 0.00 177.00 174.24 1q38 n GLY 35 N 5.87 0.65 3.15 0.52 0.00 -0.95 -4.32 105.19 110.11 1q38 n GLY 35 Ca 0.33 0.52 0.05 0.00 0.00 0.00 0.00 46.02 46.92 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 -0.72 0.04 1.61 2.46 -1.26 -4.82 115.29 112.60 1q38 s HIS 36 Ca 0.00 0.77 -0.01 0.00 0.47 0.00 0.00 55.06 56.29 1q38 s HIS 36 Cb 0.00 0.26 -0.26 0.00 -0.13 0.00 0.00 32.58 32.44 1q38 s HIS 36 CO 0.00 -0.40 1.00 -0.07 -2.47 0.00 0.00 174.74 172.80 1q38 h LEU 37 N 8.00 0.31 0.00 8.88 4.07 -1.93 -3.50 115.31 131.14 1q38 h LEU 37 Ca -0.15 -0.38 0.00 0.00 0.08 0.00 0.00 57.88 57.42 1q38 h LEU 37 Cb 1.17 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 42.81 1q38 h LEU 37 CO -0.03 1.31 0.00 -0.46 -1.08 0.00 0.00 178.44 178.18 1q38 n ASN 38 N -3.43 0.00 -4.01 -0.43 6.94 -1.26 -5.10 115.26 107.97 1q38 n ASN 38 Ca -0.11 0.00 -0.31 0.00 -0.02 0.00 0.00 54.58 54.13 1q38 n ASN 38 Cb 1.02 0.00 -0.15 0.00 -2.36 0.00 0.00 39.78 38.29 1q38 n ASN 38 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 1q38 s SER 39 N 2.00 4.49 -0.42 0.53 0.01 -1.26 -5.08 113.70 113.97 1q38 s SER 39 Ca 0.00 -1.71 -0.15 0.00 1.31 0.00 0.00 55.95 55.40 1q38 s SER 39 Cb 0.00 -1.50 0.03 0.00 0.21 0.00 0.00 66.02 64.76 1q38 s SER 39 CO 0.00 -0.29 0.31 -0.47 0.41 0.00 0.00 173.24 173.20 1q38 s TYR 40 N 1.08 3.24 -0.08 2.43 6.14 -1.26 -5.06 117.35 123.85 1q38 s TYR 40 Ca 0.01 -0.69 0.05 0.00 0.64 0.00 0.00 57.07 57.07 1q38 s TYR 40 Cb -0.19 -2.70 -0.00 0.00 0.42 0.00 0.00 41.96 39.49 1q38 s TYR 40 CO -0.08 -0.64 -0.23 0.99 0.64 0.00 0.00 175.55 176.23 1q38 s THR 41 N 1.66 1.96 -0.21 4.34 2.01 -1.26 -5.12 115.64 119.03 1q38 s THR 41 Ca 0.05 -0.99 -0.12 0.00 0.31 0.00 0.00 61.69 60.94 1q38 s THR 41 Cb -0.20 -1.69 -0.05 0.00 0.01 0.00 0.00 72.50 70.57 1q38 s THR 41 CO 0.09 0.54 0.20 -0.63 -0.69 0.00 0.00 174.62 174.14 1q38 s ILE 42 N 0.17 5.35 0.00 1.82 1.01 -1.26 -5.07 121.20 123.21 1q38 s ILE 42 Ca -0.13 0.32 0.00 0.00 0.00 0.00 0.00 60.65 60.84 1q38 s ILE 42 Cb -0.16 -3.54 0.00 0.00 0.01 0.00 0.00 42.46 38.77 1q38 s ILE 42 CO 0.06 0.37 0.00 0.29 0.00 0.00 0.00 174.94 175.67 1q38 n LYS 43 N 3.91 1.65 -1.50 2.79 4.01 -1.26 -4.92 118.16 122.84 1q38 n LYS 43 Ca -0.14 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.66 1q38 n LYS 43 Cb 0.52 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.04 1q38 n LYS 43 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1q38 n GLY 44 N 2.96 0.76 3.98 0.72 0.00 -1.26 -5.07 105.19 107.27 1q38 n GLY 44 Ca 0.00 -0.68 -0.21 0.00 0.00 0.00 0.00 46.02 45.13 1q38 n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1q38 s LEU 45 N 0.00 3.23 -0.04 0.99 1.43 -1.26 -5.12 118.68 117.91 1q38 s LEU 45 Ca 0.00 -0.17 0.06 0.00 -1.03 0.00 0.00 54.13 52.99 1q38 s LEU 45 Cb 0.00 -2.60 -0.01 0.00 0.03 0.00 0.00 46.19 43.61 1q38 s LEU 45 CO 0.00 -1.27 -0.22 -1.59 0.23 0.00 0.00 176.35 173.51 1q38 s LYS 46 N -4.80 2.06 1.01 1.70 -2.85 -1.26 -4.80 119.74 110.79 1q38 s LYS 46 Ca 0.59 -0.77 -0.12 0.00 -1.00 0.00 0.00 55.97 54.67 1q38 s LYS 46 Cb -0.09 -1.82 0.20 0.00 -2.06 0.00 0.00 37.83 34.05 1q38 s LYS 46 CO 0.39 0.37 1.08 -2.14 0.10 0.00 0.00 175.35 175.15 1q38 s PRO 47 N -0.21 0.31 0.00 1.78 0.02 -1.26 -3.55 135.00 132.08 1q38 s PRO 47 Ca 0.00 1.02 0.00 0.00 0.02 0.00 0.00 61.00 62.04 1q38 s PRO 47 Cb -0.11 -1.68 0.00 0.00 0.02 0.00 0.00 34.50 32.72 1q38 s PRO 47 CO 0.02 -2.95 0.00 0.41 -0.33 0.00 0.00 177.00 174.15 1q38 n GLY 48 N -0.00 2.31 3.11 0.52 0.00 -1.26 -4.93 105.19 104.94 1q38 n GLY 48 Ca 0.07 -0.07 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.65 2.17 0.34 1.61 0.11 -1.23 -5.11 120.40 117.64 1q38 s VAL 49 Ca 0.00 -1.19 -0.26 0.00 -2.93 0.00 0.00 61.98 57.60 1q38 s VAL 49 Cb 0.00 -2.06 -0.10 0.00 -1.53 0.00 0.00 36.38 32.69 1q38 s VAL 49 CO 0.00 0.31 1.00 -0.69 -3.33 0.00 0.00 175.10 172.39 1q38 s VAL 50 N 1.23 3.96 -0.22 2.04 1.01 -1.26 -4.71 120.40 122.45 1q38 s VAL 50 Ca -0.00 1.63 -0.09 0.00 0.00 0.00 0.00 61.98 63.52 1q38 s VAL 50 Cb -0.16 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 1q38 s VAL 50 CO -0.09 0.13 0.11 -0.31 0.00 0.00 0.00 175.10 174.93 1q38 s TYR 51 N -1.57 3.26 -0.17 5.22 2.02 -0.94 -1.98 117.35 123.19 1q38 s TYR 51 Ca 0.52 0.08 -0.07 0.00 -0.37 0.00 0.00 57.07 57.23 1q38 s TYR 51 Cb -0.21 -2.18 -0.04 0.00 -0.40 0.00 0.00 41.96 39.12 1q38 s TYR 51 CO 0.27 0.05 0.05 -2.00 -1.57 0.00 0.00 175.55 172.35 1q38 s GLU 52 N 0.82 3.88 0.10 -0.62 2.12 -0.95 -1.12 118.70 122.94 1q38 s GLU 52 Ca 0.05 -0.37 -0.18 0.00 0.36 0.00 0.00 54.97 54.84 1q38 s GLU 52 Cb -0.13 -3.15 0.04 0.00 0.26 0.00 0.00 34.13 31.15 1q38 s GLU 52 CO 0.02 0.30 0.44 0.20 -0.54 0.00 0.00 175.26 175.69 1q38 s GLY 53 N 0.28 -0.33 0.03 -1.50 0.00 -0.94 -1.22 107.32 103.63 1q38 s GLY 53 Ca 0.03 0.18 0.04 0.00 0.00 0.00 0.00 44.72 44.97 1q38 s GLY 53 CO 0.01 -0.09 -0.11 1.20 0.00 0.00 0.00 173.10 174.11 1q38 s GLN 54 N -3.30 0.76 -0.44 2.90 -0.21 0.50 -1.79 119.66 118.08 1q38 s GLN 54 Ca -0.00 -0.63 -0.15 0.00 0.02 0.00 0.00 55.36 54.60 1q38 s GLN 54 Cb 0.01 -0.71 0.05 0.00 1.00 0.00 0.00 33.01 33.36 1q38 s GLN 54 CO -0.08 0.17 0.35 -1.17 -2.12 0.00 0.00 175.29 172.44 1q38 s LEU 55 N -0.97 5.37 -0.31 2.90 2.96 0.45 -1.93 118.68 127.15 1q38 s LEU 55 Ca -0.01 -1.15 -0.08 0.00 -0.22 0.00 0.00 54.13 52.67 1q38 s LEU 55 Cb -0.07 -2.16 0.00 0.00 0.50 0.00 0.00 46.19 44.46 1q38 s LEU 55 CO 0.01 -0.56 0.11 -0.63 -1.32 0.00 0.00 176.35 173.96 1q38 s ILE 56 N 1.64 4.23 -0.17 6.68 1.09 0.92 -1.91 121.20 133.69 1q38 s ILE 56 Ca 0.04 -0.61 -0.21 0.00 -1.10 0.00 0.00 60.65 58.77 1q38 s ILE 56 Cb -0.22 -3.19 -0.03 0.00 -1.06 0.00 0.00 42.46 37.97 1q38 s ILE 56 CO 0.08 0.05 0.65 -0.55 -0.10 0.00 0.00 174.94 175.07 1q38 s SER 57 N 1.54 6.76 -0.24 3.58 0.15 0.27 0.11 113.70 125.87 1q38 s SER 57 Ca 0.03 0.92 -0.09 0.00 0.70 0.00 0.00 55.95 57.51 1q38 s SER 57 Cb -0.17 -2.36 -0.04 0.00 -1.71 0.00 0.00 66.02 61.73 1q38 s SER 57 CO 0.04 -0.24 0.12 -0.63 1.20 0.00 0.00 173.24 173.74 1q38 s ILE 58 N 1.65 4.95 0.30 6.45 1.01 0.38 -1.28 121.20 134.65 1q38 s ILE 58 Ca 0.31 0.04 0.05 0.00 0.00 0.00 0.00 60.65 61.05 1q38 s ILE 58 Cb -0.16 -3.31 0.05 0.00 0.01 0.00 0.00 42.46 39.05 1q38 s ILE 58 CO 0.12 0.34 0.41 1.67 0.00 0.00 0.00 174.94 177.48 1q38 n GLN 59 N 4.51 0.80 0.28 2.79 7.27 0.07 -2.13 117.38 130.96 1q38 n GLN 59 Ca -0.15 -1.63 0.11 0.00 0.07 0.00 0.00 57.00 55.39 1q38 n GLN 59 Cb 0.52 -0.12 0.76 0.00 2.41 0.00 0.00 30.24 33.81 1q38 n GLN 59 CO 0.00 0.00 0.00 1.96 0.07 0.00 0.00 177.06 179.09 1q38 h GLN 60 N 0.00 0.00 -0.45 3.69 4.20 -1.98 -0.59 115.11 119.98 1q38 h GLN 60 Ca -0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.57 1q38 h GLN 60 Cb 0.65 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.43 1q38 h GLN 60 CO 0.20 0.01 0.00 0.66 -0.67 0.00 0.00 178.83 179.03 1q38 n TYR 61 N -4.21 0.58 0.00 2.96 4.01 -1.26 -5.07 117.16 114.17 1q38 n TYR 61 Ca -0.03 -0.34 0.00 0.00 -0.16 0.00 0.00 57.90 57.37 1q38 n TYR 61 Cb 0.09 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.12 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 1.29 1.43 3.56 2.72 0.00 -0.23 -5.06 105.19 108.90 1q38 n GLY 62 Ca 0.18 -2.20 -0.33 0.00 0.00 0.00 0.00 46.02 43.67 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 -0.50 -0.02 -0.25 1.61 1.44 -1.26 -0.75 115.22 115.49 1q38 n HIS 63 Ca 0.00 0.34 0.00 0.00 -2.01 0.00 0.00 57.72 56.05 1q38 n HIS 63 Cb 0.00 -1.96 0.00 0.00 0.12 0.00 0.00 29.99 28.15 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 -2.48 0.00 -4.60 -1.40 10.64 -0.41 -4.76 117.38 114.37 1q38 n GLN 64 Ca 0.11 0.00 -0.33 0.00 -1.83 0.00 0.00 57.00 54.94 1q38 n GLN 64 Cb 0.52 0.00 -0.14 0.00 -0.86 0.00 0.00 30.24 29.75 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 3.36 -0.04 2.61 2.12 -1.19 -4.98 118.70 120.58 1q38 s GLU 65 Ca 0.00 -0.69 0.01 0.00 0.36 0.00 0.00 54.97 54.66 1q38 s GLU 65 Cb 0.00 -2.68 0.02 0.00 0.26 0.00 0.00 34.13 31.73 1q38 s GLU 65 CO 0.00 0.12 -0.05 0.08 -0.54 0.00 0.00 175.26 174.87 1q38 s VAL 66 N 0.59 0.57 -0.06 3.70 1.01 -1.25 -0.56 120.40 124.40 1q38 s VAL 66 Ca -0.07 -0.16 -0.01 0.00 0.00 0.00 0.00 61.98 61.73 1q38 s VAL 66 Cb -0.15 -0.58 0.03 0.00 0.00 0.00 0.00 36.38 35.68 1q38 s VAL 66 CO 0.03 0.22 0.02 -0.89 0.00 0.00 0.00 175.10 174.49 1q38 s THR 67 N 0.79 0.20 -0.14 3.92 2.01 -0.80 -4.95 115.64 116.66 1q38 s THR 67 Ca -0.11 0.22 -0.12 0.00 0.31 0.00 0.00 61.69 61.98 1q38 s THR 67 Cb -0.14 -0.38 -0.05 0.00 0.01 0.00 0.00 72.50 71.95 1q38 s THR 67 CO 0.00 0.22 0.26 -0.13 -0.69 0.00 0.00 174.62 174.29 1q38 s ARG 68 N 1.92 4.09 0.08 4.92 0.52 -1.26 -0.41 118.95 128.81 1q38 s ARG 68 Ca 0.03 0.06 -0.20 0.00 -0.52 0.00 0.00 55.73 55.10 1q38 s ARG 68 Cb -0.12 -3.37 0.05 0.00 0.52 0.00 0.00 34.95 32.03 1q38 s ARG 68 CO -0.04 0.38 0.48 -0.59 0.02 0.00 0.00 175.30 175.55 1q38 s PHE 69 N 0.06 -0.36 -0.07 -0.53 -0.12 -0.74 -4.91 117.98 111.31 1q38 s PHE 69 Ca 0.16 0.27 0.02 0.00 -0.05 0.00 0.00 56.93 57.34 1q38 s PHE 69 Cb -0.13 0.33 -0.02 0.00 -0.63 0.00 0.00 43.02 42.56 1q38 s PHE 69 CO 0.04 -0.67 -0.13 -0.51 -0.05 0.00 0.00 175.22 173.90 1q38 s ASP 70 N -2.27 4.11 -0.11 1.98 1.01 -1.26 -2.22 116.67 117.90 1q38 s ASP 70 Ca -0.03 -0.20 -0.13 0.00 0.71 0.00 0.00 52.55 52.90 1q38 s ASP 70 Cb -0.00 -1.05 0.03 0.00 1.01 0.00 0.00 42.92 42.91 1q38 s ASP 70 CO -0.06 0.31 0.35 0.72 0.21 0.00 0.00 175.17 176.71 1q38 s PHE 71 N -0.50 -0.36 0.20 4.23 -0.71 -0.28 -4.72 117.98 115.83 1q38 s PHE 71 Ca 0.07 0.85 -0.11 0.00 -1.04 0.00 0.00 56.93 56.70 1q38 s PHE 71 Cb -0.12 0.13 -0.00 0.00 -1.21 0.00 0.00 43.02 41.82 1q38 s PHE 71 CO 0.02 -0.23 0.37 0.99 -1.34 0.00 0.00 175.22 175.03 1q38 s THR 72 N -0.07 0.04 -0.14 -4.49 2.01 -1.26 -2.20 115.64 109.52 1q38 s THR 72 Ca -0.02 -1.33 -0.19 0.00 0.31 0.00 0.00 61.69 60.46 1q38 s THR 72 Cb -0.03 -1.94 -0.04 0.00 0.01 0.00 0.00 72.50 70.50 1q38 s THR 72 CO 0.01 -0.17 0.51 0.28 -0.69 0.00 0.00 174.62 174.57 1q38 s THR 73 N -3.98 5.15 -0.55 -0.82 -1.32 -1.26 -3.84 115.64 109.02 1q38 s THR 73 Ca 0.19 1.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.66 1q38 s THR 73 Cb 0.02 -3.85 0.00 0.00 -1.51 0.00 0.00 72.50 67.16 1q38 s THR 73 CO 0.03 0.27 0.00 1.07 -2.21 0.00 0.00 174.62 173.77 1q38 n THR 74 N 3.99 -0.13 0.02 5.08 5.66 -1.26 -4.53 114.28 123.11 1q38 n THR 74 Ca -0.06 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.94 1q38 n THR 74 Cb 0.51 -0.67 0.00 0.00 -1.55 0.00 0.00 70.33 68.62 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 -0.59 0.02 -1.46 1.09 2.88 -1.26 -5.05 113.62 109.26 1q38 n SER 75 Ca -0.06 0.05 0.20 0.00 -1.33 0.00 0.00 58.87 57.73 1q38 n SER 75 Cb 0.36 0.03 -0.05 0.00 -0.75 0.00 0.00 64.21 63.79 1q38 n SER 75 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1q38 n THR 76 N -2.63 0.00 -3.68 2.46 -1.04 -1.25 -4.96 114.28 103.19 1q38 n THR 76 Ca 0.00 0.09 -0.09 0.00 -2.04 0.00 0.00 64.05 62.01 1q38 n THR 76 Cb 0.00 -0.58 -0.10 0.00 -1.82 0.00 0.00 70.33 67.83 1q38 n THR 76 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1q38 s SER 77 N -7.22 -0.54 -0.19 8.00 0.15 -1.26 -4.87 113.70 107.77 1q38 s SER 77 Ca 0.00 1.04 -0.05 0.00 0.70 0.00 0.00 55.95 57.64 1q38 s SER 77 Cb 0.00 1.08 0.01 0.00 -1.71 0.00 0.00 66.02 65.40 1q38 s SER 77 CO 0.00 -0.21 0.12 0.35 1.20 0.00 0.00 173.24 174.70 1q38 n THR 78 N 4.63 -6.61 -1.97 6.45 -2.24 -1.26 -4.71 114.28 108.57 1q38 n THR 78 Ca -0.18 0.98 -0.25 0.00 -2.27 0.00 0.00 64.05 62.33 1q38 n THR 78 Cb 0.54 -4.84 -0.07 0.00 -2.10 0.00 0.00 70.33 63.86 1q38 n THR 78 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1q38 s PRO 79 N -1.52 2.27 0.00 -0.78 0.04 -1.26 -4.61 135.00 129.14 1q38 s PRO 79 Ca 0.06 -0.75 0.18 0.00 0.04 0.00 0.00 61.00 60.53 1q38 s PRO 79 Cb -0.01 -5.14 -0.17 0.00 0.04 0.00 0.00 34.50 29.23 1q38 s PRO 79 CO 0.44 -4.08 0.78 0.41 0.04 0.00 0.00 177.00 174.59 1q38 n GLY 80 N 6.17 -0.58 3.42 0.56 0.00 -1.26 -5.01 105.19 108.48 1q38 n GLY 80 Ca 0.43 -0.51 -0.19 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.23 -4.94 -2.91 1.61 2.88 -1.26 -4.07 113.62 103.70 1q38 n SER 81 Ca 0.04 -0.76 -0.06 0.00 -1.33 0.00 0.00 58.87 56.75 1q38 n SER 81 Cb 0.29 -4.72 0.01 0.00 -0.75 0.00 0.00 64.21 59.04 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 -3.69 -2.55 -3.82 -1.46 1.74 -1.26 -5.05 116.66 100.57 1q38 n ARG 82 Ca -0.14 2.17 -0.12 0.00 -0.77 0.00 0.00 57.85 58.98 1q38 n ARG 82 Cb 0.63 -4.51 -0.13 0.00 -1.02 0.00 0.00 32.46 27.44 1q38 n ARG 82 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1q38 s SER 83 N -1.82 -0.14 -0.03 0.55 0.15 -1.26 -5.04 113.70 106.12 1q38 s SER 83 Ca 0.11 0.27 0.03 0.00 0.70 0.00 0.00 55.95 57.07 1q38 s SER 83 Cb -0.03 0.28 -0.05 0.00 -1.71 0.00 0.00 66.02 64.52 1q38 s SER 83 CO 0.68 -0.05 0.03 1.41 1.20 0.00 0.00 173.24 176.51 1q38 n HIS 84 N 2.99 0.00 -2.03 3.44 8.25 -1.26 -4.75 115.22 121.86 1q38 n HIS 84 Ca -0.12 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 56.94 1q38 n HIS 84 Cb 0.59 -0.15 -0.00 0.00 1.12 0.00 0.00 29.99 31.55 1q38 n HIS 84 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1q38 n HIS 85 N -1.98 2.60 -3.49 4.41 8.25 -1.26 -4.87 115.22 118.88 1q38 n HIS 85 Ca -0.04 -2.80 -0.43 0.00 -0.26 0.00 0.00 57.72 54.20 1q38 n HIS 85 Cb 0.46 -1.79 -0.05 0.00 1.12 0.00 0.00 29.99 29.73 1q38 n HIS 85 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1q38 s HIS 86 N -1.39 3.58 0.72 4.41 5.04 -1.26 -5.06 115.29 121.32 1q38 s HIS 86 Ca 0.53 -2.21 -0.04 0.00 -1.54 0.00 0.00 55.06 51.80 1q38 s HIS 86 Cb 0.19 -3.57 0.11 0.00 0.04 0.00 0.00 32.58 29.35 1q38 s HIS 86 CO -0.10 -0.94 1.01 -3.38 -2.34 0.00 0.00 174.74 168.99 1q38 s HIS 87 N 0.25 2.09 0.30 3.88 -3.43 -1.26 -5.11 115.29 112.00 1q38 s HIS 87 Ca 0.16 0.00 0.09 0.00 -0.80 0.00 0.00 55.06 54.51 1q38 s HIS 87 Cb -0.16 -3.15 -0.04 0.00 -1.43 0.00 0.00 32.58 27.80 1q38 s HIS 87 CO -0.06 -1.63 0.09 -1.58 -2.00 0.00 0.00 174.74 169.56 1q38 s HIS 88 N -3.20 2.75 -1.62 0.38 2.46 -1.26 -5.27 115.29 109.53 1q38 s HIS 88 Ca 0.64 -0.28 0.13 0.00 0.47 0.00 0.00 55.06 56.02 1q38 s HIS 88 Cb -0.07 -1.43 0.10 0.00 -0.13 0.00 0.00 32.58 31.06 1q38 s HIS 88 CO 0.45 0.48 0.91 0.72 -2.47 0.00 0.00 174.74 174.82