#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 0.43 0.00 0.03 1.85 -1.26 -4.98 116.66 112.73 1q38 n ARG 2 Ca 0.00 -0.89 0.00 0.00 -1.00 0.00 0.00 57.85 55.96 1q38 n ARG 2 Cb 0.00 1.14 0.00 0.00 -1.05 0.00 0.00 32.46 32.55 1q38 n ARG 2 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1q38 n GLY 3 N -0.29 3.25 3.84 2.89 0.00 -1.26 -4.56 105.19 109.07 1q38 n GLY 3 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 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 0.04 -3.71 -3.33 1.61 3.41 -1.26 -4.83 113.62 105.56 1q38 n SER 4 Ca 0.00 -0.73 -0.38 0.00 -0.26 0.00 0.00 58.87 57.50 1q38 n SER 4 Cb 0.00 -3.03 -0.02 0.00 -0.26 0.00 0.00 64.21 60.90 1q38 n SER 4 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1q38 n ASN 5 N -2.53 7.88 -3.37 4.04 2.85 -1.26 -4.71 115.26 118.14 1q38 n ASN 5 Ca 0.04 -3.10 -0.19 0.00 -0.11 0.00 0.00 54.58 51.22 1q38 n ASN 5 Cb 0.51 -1.36 0.05 0.00 1.24 0.00 0.00 39.78 40.23 1q38 n ASN 5 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1q38 n ALA 6 N 1.75 -2.52 -0.07 5.20 0.00 -1.26 -4.98 120.51 118.64 1q38 n ALA 6 Ca 0.62 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 54.02 1q38 n ALA 6 Cb 0.29 -4.80 -0.02 0.00 0.00 0.00 0.00 19.45 14.93 1q38 n ALA 6 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1q38 h PRO 7 N -1.16 0.00 -2.18 0.00 0.13 -1.98 -3.47 132.00 123.33 1q38 h PRO 7 Ca -0.57 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.32 1q38 h PRO 7 Cb 1.30 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 32.10 1q38 h PRO 7 CO 0.44 0.04 -0.56 -1.14 -0.23 0.00 0.00 178.00 176.55 1q38 s GLN 8 N -2.06 0.28 0.66 0.86 0.74 -1.26 -5.15 119.66 113.73 1q38 s GLN 8 Ca -0.11 0.31 -0.17 0.00 0.05 0.00 0.00 55.36 55.43 1q38 s GLN 8 Cb 0.02 -0.81 -0.01 0.00 1.10 0.00 0.00 33.01 33.31 1q38 s GLN 8 CO 0.18 -0.70 1.18 -2.30 -0.55 0.00 0.00 175.29 173.10 1q38 n PRO 9 N 5.34 0.92 -4.59 1.67 -0.02 -1.26 -5.03 135.00 132.03 1q38 n PRO 9 Ca -0.04 0.37 -0.31 0.00 -2.02 0.00 0.00 63.50 61.50 1q38 n PRO 9 Cb 0.49 -2.42 -0.12 0.00 -0.02 0.00 0.00 33.50 31.44 1q38 n PRO 9 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1q38 s SER 10 N -1.45 4.00 1.78 2.55 0.15 -1.26 -4.99 113.70 114.49 1q38 s SER 10 Ca 0.80 -0.37 0.00 0.00 0.70 0.00 0.00 55.95 57.08 1q38 s SER 10 Cb -0.38 -0.72 0.00 0.00 -1.71 0.00 0.00 66.02 63.22 1q38 s SER 10 CO 0.43 0.26 0.00 1.41 1.20 0.00 0.00 173.24 176.54 1q38 n HIS 11 N 1.49 0.00 -3.80 3.44 8.25 -1.26 -4.56 115.22 118.78 1q38 n HIS 11 Ca -0.16 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 56.95 1q38 n HIS 11 Cb 0.52 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.58 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 5.37 0.14 1.59 1.10 -1.26 -4.96 121.20 123.17 1q38 s ILE 12 Ca 0.00 0.17 -0.18 0.00 -0.51 0.00 0.00 60.65 60.14 1q38 s ILE 12 Cb 0.00 -3.52 -0.02 0.00 0.15 0.00 0.00 42.46 39.06 1q38 s ILE 12 CO 0.00 0.45 1.79 -1.28 -2.11 0.00 0.00 174.94 173.79 1q38 h SER 13 N 4.30 0.37 -3.82 4.50 0.87 -1.80 -3.36 113.55 114.61 1q38 h SER 13 Ca -0.51 -0.02 0.03 0.00 -1.23 0.00 0.00 61.79 60.06 1q38 h SER 13 Cb 1.21 -0.09 -0.24 0.00 -0.44 0.00 0.00 62.40 62.84 1q38 h SER 13 CO 0.64 0.28 0.39 -1.59 -0.53 0.00 0.00 176.83 176.01 1q38 s LYS 14 N -6.13 0.66 -0.10 2.24 0.00 -1.08 -4.73 119.74 110.60 1q38 s LYS 14 Ca -0.13 0.50 0.00 0.00 0.00 0.00 0.00 55.97 56.34 1q38 s LYS 14 Cb 0.10 0.32 -0.02 0.00 0.00 0.00 0.00 37.83 38.22 1q38 s LYS 14 CO 0.71 -0.14 -0.09 -0.47 0.00 0.00 0.00 175.35 175.36 1q38 s TYR 15 N -0.29 2.88 -0.10 1.78 6.14 -0.97 -2.58 117.35 124.21 1q38 s TYR 15 Ca -0.01 -0.25 0.01 0.00 0.64 0.00 0.00 57.07 57.46 1q38 s TYR 15 Cb -0.03 -1.78 -0.02 0.00 0.42 0.00 0.00 41.96 40.55 1q38 s TYR 15 CO -0.01 0.09 -0.14 0.42 0.64 0.00 0.00 175.55 176.55 1q38 s ILE 16 N -0.25 3.05 -0.26 3.14 1.09 0.16 -0.29 121.20 127.84 1q38 s ILE 16 Ca 0.03 -0.68 -0.02 0.00 -1.10 0.00 0.00 60.65 58.88 1q38 s ILE 16 Cb -0.13 -2.25 0.03 0.00 -1.06 0.00 0.00 42.46 39.05 1q38 s ILE 16 CO 0.03 0.55 -0.05 -0.22 -0.10 0.00 0.00 174.94 175.14 1q38 s LEU 17 N 0.01 3.30 -0.14 2.97 0.20 0.12 -0.77 118.68 124.38 1q38 s LEU 17 Ca -0.04 -0.95 0.00 0.00 0.69 0.00 0.00 54.13 53.84 1q38 s LEU 17 Cb -0.14 -1.67 -0.01 0.00 -0.43 0.00 0.00 46.19 43.94 1q38 s LEU 17 CO 0.04 -0.15 -0.15 -0.13 -0.29 0.00 0.00 176.35 175.67 1q38 s ARG 18 N 1.31 3.28 0.10 1.98 0.52 -0.41 -0.72 118.95 125.01 1q38 s ARG 18 Ca -0.01 -0.73 -0.06 0.00 -0.52 0.00 0.00 55.73 54.41 1q38 s ARG 18 Cb -0.17 -2.60 -0.01 0.00 0.52 0.00 0.00 34.95 32.68 1q38 s ARG 18 CO -0.04 0.12 0.14 1.67 0.02 0.00 0.00 175.30 177.22 1q38 s TRP 19 N 0.56 0.34 -0.02 -0.53 -2.14 -1.08 0.56 118.94 116.62 1q38 s TRP 19 Ca -0.09 -0.78 -0.25 0.00 2.66 0.00 0.00 56.10 57.63 1q38 s TRP 19 Cb -0.16 -0.17 0.05 0.00 -3.10 0.00 0.00 33.47 30.09 1q38 s TRP 19 CO 0.04 -0.53 0.55 0.50 -2.66 0.00 0.00 176.95 174.84 1q38 s ARG 20 N -3.91 0.95 0.09 3.25 3.00 0.86 -0.32 118.95 122.87 1q38 s ARG 20 Ca 0.09 0.05 -0.33 0.00 -1.00 0.00 0.00 55.73 54.55 1q38 s ARG 20 Cb 0.06 0.44 -0.12 0.00 0.00 0.00 0.00 34.95 35.33 1q38 s ARG 20 CO -0.08 -0.30 1.78 -2.30 0.00 0.00 0.00 175.30 174.40 1q38 n PRO 21 N 0.92 2.49 0.07 5.12 -0.02 -1.26 -0.19 135.00 142.12 1q38 n PRO 21 Ca -0.20 0.91 -0.19 0.00 -2.02 0.00 0.00 63.50 62.00 1q38 n PRO 21 Cb 0.57 -2.76 -0.10 0.00 -0.02 0.00 0.00 33.50 31.20 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 7.95 0.59 0.20 -0.52 3.64 -1.23 -3.34 116.57 123.85 1q38 h LYS 22 Ca -0.46 -0.69 -0.35 0.00 -1.27 0.00 0.00 60.65 57.89 1q38 h LYS 22 Cb 1.24 0.21 0.01 0.00 -0.41 0.00 0.00 32.23 33.28 1q38 h LYS 22 CO 0.93 1.28 -1.68 -0.97 -2.27 0.00 0.00 179.45 176.75 1q38 h ASN 23 N 0.30 0.65 -2.81 4.20 -1.24 -1.80 -3.46 115.58 111.42 1q38 h ASN 23 Ca -0.13 -0.90 -0.64 0.00 0.71 0.00 0.00 56.30 55.34 1q38 h ASN 23 Cb 1.75 -0.21 -0.06 0.00 0.73 0.00 0.00 38.32 40.52 1q38 h ASN 23 CO 0.20 1.75 -0.42 -0.44 -1.29 0.00 0.00 177.43 177.23 1q38 s SER 24 N -7.34 6.47 -0.03 1.15 0.01 -1.25 -5.08 113.70 107.62 1q38 s SER 24 Ca -0.14 0.54 -0.22 0.00 1.31 0.00 0.00 55.95 57.44 1q38 s SER 24 Cb 0.05 -2.08 -0.05 0.00 0.21 0.00 0.00 66.02 64.15 1q38 s SER 24 CO 0.88 0.31 0.65 0.54 0.41 0.00 0.00 173.24 176.03 1q38 s VAL 25 N -1.20 4.97 0.00 3.43 0.11 -1.26 -4.27 120.40 122.18 1q38 s VAL 25 Ca 0.23 1.36 0.00 0.00 -2.93 0.00 0.00 61.98 60.64 1q38 s VAL 25 Cb -0.13 -4.00 0.00 0.00 -1.53 0.00 0.00 36.38 30.72 1q38 s VAL 25 CO 0.12 0.33 0.00 0.61 -3.33 0.00 0.00 175.10 172.83 1q38 n GLY 26 N 2.79 1.81 3.80 6.54 0.00 -1.26 -5.04 105.19 113.83 1q38 n GLY 26 Ca -0.04 -0.07 -0.28 0.00 0.00 0.00 0.00 46.02 45.63 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 4.28 2.21 0.00 1.61 0.52 -1.26 -5.00 118.95 121.31 1q38 s ARG 27 Ca 0.00 -2.11 0.00 0.00 -0.52 0.00 0.00 55.73 53.10 1q38 s ARG 27 Cb 0.00 -1.85 0.00 0.00 0.52 0.00 0.00 34.95 33.62 1q38 s ARG 27 CO 0.00 -0.38 0.00 0.91 0.02 0.00 0.00 175.30 175.85 1q38 n TRP 28 N -1.42 -2.49 -3.68 -0.53 7.02 -1.26 -4.45 117.44 110.63 1q38 n TRP 28 Ca -0.08 0.00 -0.12 0.00 -1.02 0.00 0.00 57.50 56.28 1q38 n TRP 28 Cb 0.65 0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 29.48 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 -1.37 0.92 -0.09 -0.99 1.02 0.56 -4.86 119.74 114.94 1q38 s LYS 29 Ca 0.00 -0.48 0.04 0.00 0.02 0.00 0.00 55.97 55.55 1q38 s LYS 29 Cb 0.00 0.41 0.00 0.00 -0.52 0.00 0.00 37.83 37.72 1q38 s LYS 29 CO 0.00 -0.32 -0.21 -1.21 -0.92 0.00 0.00 175.35 172.69 1q38 s GLU 30 N -2.78 2.68 -0.16 1.68 2.02 -1.25 -2.64 118.70 118.25 1q38 s GLU 30 Ca -0.03 -0.77 -0.04 0.00 0.02 0.00 0.00 54.97 54.15 1q38 s GLU 30 Cb -0.00 -2.07 0.06 0.00 0.10 0.00 0.00 34.13 32.23 1q38 s GLU 30 CO -0.05 0.16 0.12 0.00 0.02 0.00 0.00 175.26 175.51 1q38 s ALA 31 N 0.38 0.23 0.08 5.21 0.00 0.11 -4.93 121.76 122.84 1q38 s ALA 31 Ca -0.17 -0.11 -0.18 0.00 0.00 0.00 0.00 51.96 51.51 1q38 s ALA 31 Cb -0.17 -1.06 -0.07 0.00 0.00 0.00 0.00 23.12 21.82 1q38 s ALA 31 CO 0.07 -1.11 0.54 0.99 0.00 0.00 0.00 175.76 176.26 1q38 s THR 32 N 2.19 4.80 -0.21 0.00 2.01 -1.25 0.10 115.64 123.29 1q38 s THR 32 Ca 0.03 1.08 -0.04 0.00 0.31 0.00 0.00 61.69 63.07 1q38 s THR 32 Cb -0.15 -3.84 0.07 0.00 0.01 0.00 0.00 72.50 68.59 1q38 s THR 32 CO -0.09 0.49 0.08 -0.63 -0.69 0.00 0.00 174.62 173.78 1q38 s ILE 33 N -1.18 0.12 -0.77 1.82 1.09 0.60 -4.95 121.20 117.92 1q38 s ILE 33 Ca 0.30 -0.43 -0.25 0.00 -1.10 0.00 0.00 60.65 59.16 1q38 s ILE 33 Cb -0.18 -0.82 -0.08 0.00 -1.06 0.00 0.00 42.46 40.32 1q38 s ILE 33 CO 0.18 -0.37 2.15 -2.16 -0.10 0.00 0.00 174.94 174.65 1q38 s PRO 34 N 2.04 2.17 3.67 2.79 0.04 -1.26 -2.30 135.00 142.15 1q38 s PRO 34 Ca 0.03 0.32 0.00 0.00 0.04 0.00 0.00 61.00 61.39 1q38 s PRO 34 Cb -0.16 -4.81 0.00 0.00 0.04 0.00 0.00 34.50 29.57 1q38 s PRO 34 CO -0.15 -3.65 0.00 0.41 0.04 0.00 0.00 177.00 173.65 1q38 n GLY 35 N 6.57 1.09 2.72 0.56 0.00 -1.26 -3.77 105.19 111.10 1q38 n GLY 35 Ca 0.39 0.33 -0.07 0.00 0.00 0.00 0.00 46.02 46.67 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 0.00 -2.42 0.08 1.61 -0.00 -1.26 -4.96 115.22 108.27 1q38 n HIS 36 Ca 0.00 -1.37 -0.06 0.00 0.46 0.00 0.00 57.72 56.75 1q38 n HIS 36 Cb 0.00 1.40 0.10 0.00 -0.12 0.00 0.00 29.99 31.38 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 3.78 0.30 0.00 0.27 -0.00 -1.94 -3.48 115.31 114.24 1q38 h LEU 37 Ca -0.16 -0.17 0.07 0.00 -0.00 0.00 0.00 57.88 57.61 1q38 h LEU 37 Cb 1.09 -0.09 -0.01 0.00 -0.00 0.00 0.00 40.66 41.66 1q38 h LEU 37 CO 0.14 0.85 0.43 -0.46 -0.00 0.00 0.00 178.44 179.39 1q38 n ASN 38 N -3.86 -1.99 -4.59 0.17 2.04 -1.26 -5.12 115.26 100.65 1q38 n ASN 38 Ca -0.03 -2.23 -0.43 0.00 -0.44 0.00 0.00 54.58 51.46 1q38 n ASN 38 Cb 0.63 3.27 -0.02 0.00 -2.53 0.00 0.00 39.78 41.14 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 -3.23 6.54 -0.45 0.53 0.15 -1.26 -4.99 113.70 111.00 1q38 s SER 39 Ca 0.19 0.34 -0.23 0.00 0.70 0.00 0.00 55.95 56.95 1q38 s SER 39 Cb -0.04 -2.55 0.02 0.00 -1.71 0.00 0.00 66.02 61.75 1q38 s SER 39 CO 0.09 -1.36 0.80 -0.47 1.20 0.00 0.00 173.24 173.49 1q38 s TYR 40 N 4.72 2.99 0.03 3.44 6.14 -1.26 -5.04 117.35 128.38 1q38 s TYR 40 Ca 0.47 0.21 0.07 0.00 0.64 0.00 0.00 57.07 58.45 1q38 s TYR 40 Cb -0.07 -3.67 -0.03 0.00 0.42 0.00 0.00 41.96 38.60 1q38 s TYR 40 CO 0.29 -0.98 -0.17 0.99 0.64 0.00 0.00 175.55 176.33 1q38 s THR 41 N 3.32 2.88 -0.21 4.34 2.01 -1.26 -5.12 115.64 121.60 1q38 s THR 41 Ca 0.31 -1.13 -0.07 0.00 0.31 0.00 0.00 61.69 61.11 1q38 s THR 41 Cb -0.12 -2.21 -0.03 0.00 0.01 0.00 0.00 72.50 70.14 1q38 s THR 41 CO 0.23 0.35 0.05 -0.63 -0.69 0.00 0.00 174.62 173.93 1q38 s ILE 42 N -0.93 4.41 0.18 1.82 -1.09 -1.26 -5.10 121.20 119.23 1q38 s ILE 42 Ca 0.15 -0.15 0.11 0.00 -2.23 0.00 0.00 60.65 58.52 1q38 s ILE 42 Cb -0.11 -3.01 -0.04 0.00 -1.58 0.00 0.00 42.46 37.72 1q38 s ILE 42 CO 0.05 0.41 -0.23 -0.75 -1.23 0.00 0.00 174.94 173.19 1q38 s LYS 43 N 0.94 1.56 0.00 2.79 2.47 -1.26 -4.83 119.74 121.41 1q38 s LYS 43 Ca 0.03 -1.46 0.00 0.00 -1.56 0.00 0.00 55.97 52.98 1q38 s LYS 43 Cb -0.14 -1.89 0.00 0.00 -1.46 0.00 0.00 37.83 34.34 1q38 s LYS 43 CO 0.03 0.41 0.00 0.41 0.16 0.00 0.00 175.35 176.36 1q38 n GLY 44 N 0.37 0.89 0.00 5.54 0.00 -1.26 -5.15 105.19 105.58 1q38 n GLY 44 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.47 0.99 4.77 -1.26 -5.10 117.00 112.92 1q38 n LEU 45 Ca 0.00 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.84 1q38 n LEU 45 Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 1q38 n LEU 45 CO 0.00 -0.24 0.46 -1.59 -1.33 0.00 0.00 177.39 174.69 1q38 s LYS 46 N -0.21 1.12 -0.40 3.23 -2.85 -1.26 -4.86 119.74 114.50 1q38 s LYS 46 Ca 0.00 -0.18 -0.27 0.00 -1.00 0.00 0.00 55.97 54.52 1q38 s LYS 46 Cb 0.00 0.52 -0.05 0.00 -2.06 0.00 0.00 37.83 36.25 1q38 s LYS 46 CO 0.00 -0.44 2.14 -1.25 0.10 0.00 0.00 175.35 175.90 1q38 s PRO 47 N -2.69 2.72 0.00 1.78 0.04 -1.26 -1.94 135.00 133.64 1q38 s PRO 47 Ca -0.03 1.45 0.00 0.00 0.04 0.00 0.00 61.00 62.46 1q38 s PRO 47 Cb -0.01 -4.42 0.00 0.00 0.04 0.00 0.00 34.50 30.12 1q38 s PRO 47 CO -0.04 -2.58 0.00 0.41 0.04 0.00 0.00 177.00 174.82 1q38 n GLY 48 N 5.77 1.13 3.26 0.56 0.00 -1.26 -4.95 105.19 109.70 1q38 n GLY 48 Ca 0.29 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.71 2.68 -0.12 1.61 1.01 -0.82 -5.07 120.40 118.98 1q38 s VAL 49 Ca 0.00 -0.76 -0.02 0.00 0.00 0.00 0.00 61.98 61.20 1q38 s VAL 49 Cb 0.00 -2.13 -0.03 0.00 0.00 0.00 0.00 36.38 34.22 1q38 s VAL 49 CO 0.00 0.51 -0.06 -0.69 0.00 0.00 0.00 175.10 174.86 1q38 s VAL 50 N 0.86 3.71 -0.18 2.92 1.01 -1.26 -4.59 120.40 122.87 1q38 s VAL 50 Ca -0.04 -0.44 -0.04 0.00 0.00 0.00 0.00 61.98 61.45 1q38 s VAL 50 Cb -0.15 -2.58 -0.02 0.00 0.00 0.00 0.00 36.38 33.63 1q38 s VAL 50 CO -0.01 0.53 -0.02 -0.31 0.00 0.00 0.00 175.10 175.29 1q38 s TYR 51 N -0.04 3.01 -0.05 5.22 1.51 -1.11 -0.77 117.35 125.12 1q38 s TYR 51 Ca 0.00 -0.45 -0.22 0.00 -1.01 0.00 0.00 57.07 55.40 1q38 s TYR 51 Cb -0.13 -2.03 -0.04 0.00 -0.11 0.00 0.00 41.96 39.65 1q38 s TYR 51 CO 0.03 -0.19 0.64 -1.83 -1.11 0.00 0.00 175.55 173.09 1q38 s GLU 52 N 0.76 4.40 0.08 -0.62 4.04 0.73 -2.36 118.70 125.73 1q38 s GLU 52 Ca -0.01 0.78 -0.01 0.00 0.04 0.00 0.00 54.97 55.77 1q38 s GLU 52 Cb -0.14 -3.42 -0.04 0.00 0.02 0.00 0.00 34.13 30.55 1q38 s GLU 52 CO 0.02 0.16 -0.00 0.20 -1.84 0.00 0.00 175.26 173.80 1q38 s GLY 53 N 0.49 0.67 0.07 -3.83 0.00 0.32 -0.09 107.32 104.95 1q38 s GLY 53 Ca 0.34 -1.31 0.03 0.00 0.00 0.00 0.00 44.72 43.78 1q38 s GLY 53 CO 0.17 -1.35 -0.09 1.62 0.00 0.00 0.00 173.10 173.45 1q38 s GLN 54 N -3.96 0.69 -0.27 2.90 0.74 0.19 0.01 119.66 119.97 1q38 s GLN 54 Ca 0.13 -0.97 0.02 0.00 0.05 0.00 0.00 55.36 54.59 1q38 s GLN 54 Cb 0.08 -0.40 0.07 0.00 1.10 0.00 0.00 33.01 33.85 1q38 s GLN 54 CO -0.06 0.06 -0.03 -0.51 -0.55 0.00 0.00 175.29 174.21 1q38 s LEU 55 N -2.03 3.14 -0.04 3.68 1.43 -0.67 -1.28 118.68 122.92 1q38 s LEU 55 Ca -0.02 -1.47 -0.14 0.00 -1.03 0.00 0.00 54.13 51.48 1q38 s LEU 55 Cb -0.06 -1.30 -0.05 0.00 0.03 0.00 0.00 46.19 44.80 1q38 s LEU 55 CO -0.00 -0.28 0.36 -0.63 0.23 0.00 0.00 176.35 176.03 1q38 s ILE 56 N 1.27 5.13 -0.19 -0.59 1.01 0.05 -2.38 121.20 125.51 1q38 s ILE 56 Ca -0.01 0.73 0.01 0.00 0.00 0.00 0.00 60.65 61.37 1q38 s ILE 56 Cb -0.19 -3.66 0.02 0.00 0.01 0.00 0.00 42.46 38.64 1q38 s ILE 56 CO -0.08 0.55 -0.19 -0.55 0.00 0.00 0.00 174.94 174.67 1q38 s SER 57 N -0.83 3.28 -0.17 3.58 0.15 0.38 -0.67 113.70 119.42 1q38 s SER 57 Ca 0.22 -0.71 -0.01 0.00 0.70 0.00 0.00 55.95 56.15 1q38 s SER 57 Cb -0.16 -1.49 -0.01 0.00 -1.71 0.00 0.00 66.02 62.65 1q38 s SER 57 CO 0.11 -0.02 -0.11 -0.63 1.20 0.00 0.00 173.24 173.79 1q38 s ILE 58 N 1.28 3.03 0.47 6.45 1.01 -1.06 -1.63 121.20 130.74 1q38 s ILE 58 Ca 0.04 -0.64 0.07 0.00 0.00 0.00 0.00 60.65 60.12 1q38 s ILE 58 Cb -0.14 -2.31 0.01 0.00 0.01 0.00 0.00 42.46 40.03 1q38 s ILE 58 CO -0.12 0.49 0.42 0.00 0.00 0.00 0.00 174.94 175.73 1q38 s GLN 59 N 0.87 2.42 0.51 2.79 -2.07 -0.65 -2.62 119.66 120.90 1q38 s GLN 59 Ca -0.03 -1.70 0.34 0.00 -1.82 0.00 0.00 55.36 52.15 1q38 s GLN 59 Cb -0.15 -2.31 1.61 0.00 -1.09 0.00 0.00 33.01 31.07 1q38 s GLN 59 CO 0.00 -0.38 2.02 -0.56 -1.32 0.00 0.00 175.29 175.05 1q38 h GLN 60 N 0.88 0.00 -0.64 9.60 3.07 -1.95 -1.33 115.11 124.73 1q38 h GLN 60 Ca -0.39 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.35 1q38 h GLN 60 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.84 1q38 h GLN 60 CO 0.56 0.00 0.00 0.66 0.09 0.00 0.00 178.83 180.14 1q38 n TYR 61 N -2.84 0.86 0.00 0.06 4.01 -1.26 -5.05 117.16 112.93 1q38 n TYR 61 Ca -0.00 -0.48 0.00 0.00 -0.16 0.00 0.00 57.90 57.25 1q38 n TYR 61 Cb 0.19 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.21 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 1.43 1.02 4.12 2.72 0.00 -0.50 -5.07 105.19 108.91 1q38 n GLY 62 Ca 0.22 -0.96 0.08 0.00 0.00 0.00 0.00 46.02 45.36 1q38 n GLY 62 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1q38 n HIS 63 N 0.57 -2.53 -3.13 1.61 -0.00 -1.26 -1.64 115.22 108.84 1q38 n HIS 63 Ca 0.00 0.70 0.05 0.00 0.46 0.00 0.00 57.72 58.93 1q38 n HIS 63 Cb 0.00 -1.18 0.00 0.00 -0.12 0.00 0.00 29.99 28.70 1q38 n HIS 63 CO 0.00 0.00 0.00 -0.65 0.46 0.00 0.00 176.34 176.15 1q38 s GLN 64 N -0.96 0.18 -0.33 1.57 -0.21 -1.23 -4.64 119.66 114.05 1q38 s GLN 64 Ca 0.00 0.16 -0.15 0.00 0.02 0.00 0.00 55.36 55.39 1q38 s GLN 64 Cb 0.00 0.08 -0.02 0.00 1.00 0.00 0.00 33.01 34.07 1q38 s GLN 64 CO 0.00 -0.34 0.37 -2.00 -2.12 0.00 0.00 175.29 171.20 1q38 s GLU 65 N 2.88 3.67 -0.05 2.91 2.12 -0.65 -4.81 118.70 124.76 1q38 s GLU 65 Ca 0.26 -0.31 0.02 0.00 0.36 0.00 0.00 54.97 55.29 1q38 s GLU 65 Cb -0.02 -3.77 0.01 0.00 0.26 0.00 0.00 34.13 30.61 1q38 s GLU 65 CO -0.23 -0.47 -0.09 0.54 -0.54 0.00 0.00 175.26 174.47 1q38 s VAL 66 N 2.04 0.88 -0.04 3.70 0.11 -1.23 0.14 120.40 126.00 1q38 s VAL 66 Ca 0.13 -0.35 -0.01 0.00 -2.93 0.00 0.00 61.98 58.82 1q38 s VAL 66 Cb -0.16 -0.82 0.03 0.00 -1.53 0.00 0.00 36.38 33.89 1q38 s VAL 66 CO 0.11 0.29 0.01 -0.89 -3.33 0.00 0.00 175.10 171.30 1q38 s THR 67 N 0.63 0.16 0.31 5.04 2.01 -1.00 -4.93 115.64 117.86 1q38 s THR 67 Ca -0.11 0.17 -0.20 0.00 0.31 0.00 0.00 61.69 61.86 1q38 s THR 67 Cb -0.14 -0.31 -0.09 0.00 0.01 0.00 0.00 72.50 71.97 1q38 s THR 67 CO 0.02 0.18 0.81 -0.13 -0.69 0.00 0.00 174.62 174.81 1q38 s ARG 68 N 1.52 4.24 0.06 4.92 0.52 -1.26 -1.66 118.95 127.29 1q38 s ARG 68 Ca -0.03 0.94 -0.21 0.00 -0.52 0.00 0.00 55.73 55.92 1q38 s ARG 68 Cb -0.13 -2.60 0.05 0.00 0.52 0.00 0.00 34.95 32.79 1q38 s ARG 68 CO -0.03 0.22 0.50 -0.59 0.02 0.00 0.00 175.30 175.43 1q38 s PHE 69 N -1.80 -0.39 -0.09 -0.53 -0.12 0.10 -4.98 117.98 110.18 1q38 s PHE 69 Ca 0.51 0.37 0.03 0.00 -0.05 0.00 0.00 56.93 57.80 1q38 s PHE 69 Cb -0.14 0.33 -0.01 0.00 -0.63 0.00 0.00 43.02 42.57 1q38 s PHE 69 CO 0.19 -0.65 -0.19 -0.51 -0.05 0.00 0.00 175.22 174.01 1q38 s ASP 70 N -2.11 3.60 -0.00 1.98 1.01 -1.26 -0.52 116.67 119.37 1q38 s ASP 70 Ca -0.04 -0.39 -0.12 0.00 0.71 0.00 0.00 52.55 52.71 1q38 s ASP 70 Cb -0.00 -1.21 0.01 0.00 1.01 0.00 0.00 42.92 42.73 1q38 s ASP 70 CO -0.04 0.22 0.25 0.72 0.21 0.00 0.00 175.17 176.53 1q38 s PHE 71 N -0.01 -0.09 0.18 4.23 -0.12 -1.00 -4.48 117.98 116.70 1q38 s PHE 71 Ca -0.06 0.08 -0.08 0.00 -0.05 0.00 0.00 56.93 56.81 1q38 s PHE 71 Cb -0.15 0.04 -0.01 0.00 -0.63 0.00 0.00 43.02 42.27 1q38 s PHE 71 CO 0.05 -0.37 0.29 0.95 -0.05 0.00 0.00 175.22 176.09 1q38 s THR 72 N -1.53 0.05 0.20 -4.49 -4.23 -1.26 -2.74 115.64 101.62 1q38 s THR 72 Ca -0.13 -1.48 -0.08 0.00 -1.18 0.00 0.00 61.69 58.83 1q38 s THR 72 Cb -0.05 -1.99 0.08 0.00 1.34 0.00 0.00 72.50 71.88 1q38 s THR 72 CO 0.02 -0.21 1.67 0.00 -0.54 0.00 0.00 174.62 175.56 1q38 h THR 73 N 2.51 1.26 0.00 3.99 1.03 -1.86 -3.39 112.91 116.45 1q38 h THR 73 Ca -0.31 -1.11 0.00 0.00 -0.01 0.00 0.00 66.41 64.98 1q38 h THR 73 Cb 1.23 0.76 0.00 0.00 -1.07 0.00 0.00 68.15 69.07 1q38 h THR 73 CO 0.47 0.40 -0.14 1.07 -0.01 0.00 0.00 175.52 177.31 1q38 n THR 74 N -4.19 0.00 0.24 0.00 5.66 -1.26 -4.84 114.28 109.90 1q38 n THR 74 Ca 0.03 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.03 1q38 n THR 74 Cb 0.33 -0.13 0.00 0.00 -1.55 0.00 0.00 70.33 68.97 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 -1.74 3.87 -4.71 1.09 2.88 -1.26 -4.91 113.62 108.84 1q38 n SER 75 Ca 0.00 -2.08 -0.33 0.00 -1.33 0.00 0.00 58.87 55.13 1q38 n SER 75 Cb 0.07 -0.75 0.13 0.00 -0.75 0.00 0.00 64.21 62.90 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 0.10 2.29 -0.34 2.46 2.01 -1.26 -4.71 115.64 116.19 1q38 s THR 76 Ca 0.00 0.12 0.16 0.00 0.31 0.00 0.00 61.69 62.27 1q38 s THR 76 Cb 0.00 -2.44 0.42 0.00 0.01 0.00 0.00 72.50 70.49 1q38 s THR 76 CO 0.00 -0.10 0.88 -1.20 -0.69 0.00 0.00 174.62 173.51 1q38 n SER 77 N -3.46 1.31 -3.07 3.53 7.64 -1.26 -4.96 113.62 113.35 1q38 n SER 77 Ca 0.12 -2.84 -0.04 0.00 1.01 0.00 0.00 58.87 57.12 1q38 n SER 77 Cb 0.51 -0.56 -0.01 0.00 -1.01 0.00 0.00 64.21 63.14 1q38 n SER 77 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1q38 s THR 78 N -2.94 -0.86 0.00 0.44 2.01 -1.26 -4.90 115.64 108.13 1q38 s THR 78 Ca 0.32 -0.62 0.00 0.00 0.31 0.00 0.00 61.69 61.70 1q38 s THR 78 Cb 0.42 -0.14 0.00 0.00 0.01 0.00 0.00 72.50 72.79 1q38 s THR 78 CO -0.01 -0.13 0.95 -2.65 -0.69 0.00 0.00 174.62 172.09 1q38 n PRO 79 N 3.76 0.00 0.00 4.92 -0.02 -1.26 -4.92 135.00 137.48 1q38 n PRO 79 Ca 0.15 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.48 1q38 n PRO 79 Cb 0.55 -1.45 0.00 0.00 -0.02 0.00 0.00 33.50 32.58 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 -0.99 0.92 3.57 -1.23 0.00 -1.26 -5.07 105.19 101.13 1q38 n GLY 80 Ca 0.00 -0.07 -0.22 0.00 0.00 0.00 0.00 46.02 45.73 1q38 n GLY 80 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1q38 s SER 81 N 0.00 4.55 0.00 1.61 1.04 -1.26 -3.24 113.70 116.40 1q38 s SER 81 Ca 0.00 -0.79 0.00 0.00 0.48 0.00 0.00 55.95 55.64 1q38 s SER 81 Cb 0.00 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.55 1q38 s SER 81 CO 0.00 -3.41 0.00 -1.14 0.98 0.00 0.00 173.24 169.67 1q38 n ARG 82 N 8.61 0.00 0.00 4.02 0.63 -1.26 -4.95 116.66 123.70 1q38 n ARG 82 Ca 0.43 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.36 1q38 n ARG 82 Cb 0.46 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.37 1q38 n ARG 82 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 1q38 n SER 83 N -1.36 0.38 0.00 6.15 3.41 -1.20 -4.91 113.62 116.08 1q38 n SER 83 Ca 0.00 -0.69 0.00 0.00 -0.26 0.00 0.00 58.87 57.92 1q38 n SER 83 Cb 0.00 0.44 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 1q38 n SER 83 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1q38 n HIS 84 N -0.44 0.00 -4.44 7.33 -0.00 -1.21 -5.05 115.22 111.41 1q38 n HIS 84 Ca 0.00 0.00 -0.21 0.00 0.46 0.00 0.00 57.72 57.97 1q38 n HIS 84 Cb 0.02 0.00 -0.10 0.00 -0.12 0.00 0.00 29.99 29.79 1q38 n HIS 84 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 1q38 s HIS 85 N -0.00 1.94 -1.10 1.57 0.00 -1.26 -5.06 115.29 111.38 1q38 s HIS 85 Ca 0.00 -0.83 -0.02 0.00 -3.00 0.00 0.00 55.06 51.21 1q38 s HIS 85 Cb 0.00 -1.20 0.28 0.00 -4.00 0.00 0.00 32.58 27.66 1q38 s HIS 85 CO 0.00 0.14 1.90 0.72 -1.00 0.00 0.00 174.74 176.50 1q38 n HIS 86 N -0.63 2.68 -2.52 0.38 -0.00 -1.26 -4.56 115.22 109.31 1q38 n HIS 86 Ca -0.04 -2.61 -0.17 0.00 -0.00 0.00 0.00 57.72 54.90 1q38 n HIS 86 Cb 0.65 -1.34 0.02 0.00 -0.00 0.00 0.00 29.99 29.32 1q38 n HIS 86 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1q38 n HIS 87 N 0.51 2.23 -2.72 4.41 8.25 -1.26 -4.88 115.22 121.77 1q38 n HIS 87 Ca 0.48 -2.73 -0.07 0.00 -0.26 0.00 0.00 57.72 55.14 1q38 n HIS 87 Cb 0.27 -0.24 0.06 0.00 1.12 0.00 0.00 29.99 31.20 1q38 n HIS 87 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1q38 n HIS 88 N -0.39 -2.39 -0.44 4.41 -0.00 -1.26 -5.14 115.22 110.02 1q38 n HIS 88 Ca 0.25 -1.46 0.00 0.00 -0.00 0.00 0.00 57.72 56.51 1q38 n HIS 88 Cb 0.78 1.43 0.00 0.00 -0.00 0.00 0.00 29.99 32.20 1q38 n HIS 88 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92