#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 3.67 -0.14 2.12 3.52 -1.26 -4.92 118.95 121.94 1q38 s ARG 2 Ca 0.00 -0.36 0.12 0.00 -0.13 0.00 0.00 55.73 55.36 1q38 s ARG 2 Cb 0.00 -3.77 -0.17 0.00 -1.56 0.00 0.00 34.95 29.45 1q38 s ARG 2 CO 0.00 -0.44 0.04 0.41 -0.81 0.00 0.00 175.30 174.50 1q38 n GLY 3 N 4.94 -0.68 3.41 8.12 0.00 -1.26 -4.84 105.19 114.89 1q38 n GLY 3 Ca -0.10 -0.23 -0.44 0.00 0.00 0.00 0.00 46.02 45.25 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 -4.78 6.44 -0.14 1.61 1.04 -1.26 -4.86 113.70 111.74 1q38 s SER 4 Ca -0.08 -1.77 -0.25 0.00 0.48 0.00 0.00 55.95 54.33 1q38 s SER 4 Cb 0.04 -2.35 -0.25 0.00 0.10 0.00 0.00 66.02 63.56 1q38 s SER 4 CO 0.57 -1.08 0.62 0.78 0.98 0.00 0.00 173.24 175.12 1q38 h ASN 5 N 8.93 0.08 -2.18 7.02 4.21 -2.03 -3.43 115.58 128.18 1q38 h ASN 5 Ca -0.06 -0.86 -0.57 0.00 1.21 0.00 0.00 56.30 56.02 1q38 h ASN 5 Cb 1.05 -0.03 -0.39 0.00 -1.12 0.00 0.00 38.32 37.84 1q38 h ASN 5 CO 1.07 1.22 -1.02 0.00 -1.29 0.00 0.00 177.43 177.41 1q38 n ALA 6 N -2.85 2.69 0.14 -0.83 0.00 -1.26 -4.94 120.51 113.46 1q38 n ALA 6 Ca -0.17 -3.38 0.02 0.00 0.00 0.00 0.00 53.44 49.90 1q38 n ALA 6 Cb 0.60 -0.80 0.08 0.00 0.00 0.00 0.00 19.45 19.33 1q38 n ALA 6 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1q38 h PRO 7 N 4.66 0.00 -6.72 0.00 0.11 -1.97 -3.46 132.00 124.62 1q38 h PRO 7 Ca 0.15 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.72 1q38 h PRO 7 Cb 0.88 0.00 0.08 0.00 0.11 0.00 0.00 31.00 32.07 1q38 h PRO 7 CO 0.45 0.55 0.88 1.04 -0.21 0.00 0.00 178.00 180.71 1q38 n GLN 8 N -3.32 2.62 -2.34 1.05 6.02 -1.26 -4.89 117.38 115.25 1q38 n GLN 8 Ca 0.01 0.94 -0.37 0.00 -0.01 0.00 0.00 57.00 57.57 1q38 n GLN 8 Cb 0.71 -2.72 -0.04 0.00 1.02 0.00 0.00 30.24 29.22 1q38 n GLN 8 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1q38 s PRO 9 N -0.02 3.09 -0.09 -1.09 0.04 -1.26 -4.81 135.00 130.85 1q38 s PRO 9 Ca 0.68 -0.46 -0.05 0.00 0.04 0.00 0.00 61.00 61.21 1q38 s PRO 9 Cb -0.52 -4.90 -0.02 0.00 0.04 0.00 0.00 34.50 29.10 1q38 s PRO 9 CO 0.44 -2.59 -0.09 0.66 0.04 0.00 0.00 177.00 175.46 1q38 h SER 10 N 11.01 0.00 -0.63 6.66 4.64 -1.94 -3.50 113.55 129.79 1q38 h SER 10 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1q38 h SER 10 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 1q38 h SER 10 CO 1.31 0.48 0.00 1.57 -0.87 0.00 0.00 176.83 179.32 1q38 n HIS 11 N -3.90 -1.58 -2.84 4.77 -0.00 -1.26 -4.78 115.22 105.62 1q38 n HIS 11 Ca -0.04 0.00 -0.31 0.00 0.46 0.00 0.00 57.72 57.83 1q38 n HIS 11 Cb 0.14 0.23 -0.04 0.00 -0.12 0.00 0.00 29.99 30.19 1q38 n HIS 11 CO 0.00 0.00 0.00 -1.50 0.46 0.00 0.00 176.34 175.30 1q38 s ILE 12 N 0.00 4.68 0.19 3.57 1.10 -1.26 -4.98 121.20 124.50 1q38 s ILE 12 Ca 0.00 0.87 -0.11 0.00 -0.51 0.00 0.00 60.65 60.90 1q38 s ILE 12 Cb 0.00 -3.69 0.11 0.00 0.15 0.00 0.00 42.46 39.03 1q38 s ILE 12 CO 0.00 -0.45 1.78 -1.28 -2.11 0.00 0.00 174.94 172.88 1q38 h SER 13 N 1.49 0.39 -4.06 4.50 0.87 -1.86 -3.00 113.55 111.88 1q38 h SER 13 Ca -0.47 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 1q38 h SER 13 Cb 1.18 -0.03 -0.22 0.00 -0.44 0.00 0.00 62.40 62.89 1q38 h SER 13 CO 0.64 0.26 0.30 -1.59 -0.53 0.00 0.00 176.83 175.90 1q38 s LYS 14 N -6.11 0.77 0.19 2.24 -2.85 -1.10 -4.33 119.74 108.54 1q38 s LYS 14 Ca -0.13 0.58 0.05 0.00 -1.00 0.00 0.00 55.97 55.47 1q38 s LYS 14 Cb 0.15 0.37 -0.04 0.00 -2.06 0.00 0.00 37.83 36.25 1q38 s LYS 14 CO 0.74 -0.16 0.20 0.71 0.10 0.00 0.00 175.35 176.94 1q38 s TYR 15 N -0.28 3.23 0.10 1.78 2.02 -0.51 -0.48 117.35 123.21 1q38 s TYR 15 Ca -0.02 -0.02 0.10 0.00 -0.37 0.00 0.00 57.07 56.76 1q38 s TYR 15 Cb -0.03 -1.52 -0.04 0.00 -0.40 0.00 0.00 41.96 39.98 1q38 s TYR 15 CO 0.01 0.51 -0.26 -1.50 -1.57 0.00 0.00 175.55 172.75 1q38 s ILE 16 N -1.86 2.14 -0.20 2.71 -1.16 0.14 -0.64 121.20 122.33 1q38 s ILE 16 Ca 0.32 -1.62 -0.02 0.00 -0.51 0.00 0.00 60.65 58.82 1q38 s ILE 16 Cb -0.10 -1.89 0.06 0.00 0.61 0.00 0.00 42.46 41.15 1q38 s ILE 16 CO 0.25 0.14 0.02 -0.22 -2.81 0.00 0.00 174.94 172.33 1q38 s LEU 17 N -1.81 1.43 -0.13 8.50 0.20 0.17 -1.65 118.68 125.40 1q38 s LEU 17 Ca 0.12 -0.90 0.02 0.00 0.69 0.00 0.00 54.13 54.07 1q38 s LEU 17 Cb -0.10 -0.70 -0.00 0.00 -0.43 0.00 0.00 46.19 44.96 1q38 s LEU 17 CO 0.05 -0.30 -0.20 -0.13 -0.29 0.00 0.00 176.35 175.48 1q38 s ARG 18 N 1.78 3.13 0.00 1.98 0.52 -0.10 -0.11 118.95 126.15 1q38 s ARG 18 Ca -0.02 -0.82 -0.28 0.00 -0.52 0.00 0.00 55.73 54.09 1q38 s ARG 18 Cb -0.17 -2.45 0.08 0.00 0.52 0.00 0.00 34.95 32.93 1q38 s ARG 18 CO -0.08 0.10 0.70 1.67 0.02 0.00 0.00 175.30 177.72 1q38 s TRP 19 N 0.55 -0.57 0.17 -0.53 -2.14 -1.09 0.18 118.94 115.52 1q38 s TRP 19 Ca -0.12 0.78 -0.14 0.00 2.66 0.00 0.00 56.10 59.29 1q38 s TRP 19 Cb -0.17 0.47 0.01 0.00 -3.10 0.00 0.00 33.47 30.68 1q38 s TRP 19 CO 0.04 -0.65 0.40 -0.98 -2.66 0.00 0.00 176.95 173.10 1q38 s ARG 20 N -2.07 1.23 -0.25 3.25 1.04 -0.51 -0.51 118.95 121.13 1q38 s ARG 20 Ca -0.05 -0.97 -0.31 0.00 -1.04 0.00 0.00 55.73 53.36 1q38 s ARG 20 Cb -0.00 0.45 -0.08 0.00 -2.04 0.00 0.00 34.95 33.28 1q38 s ARG 20 CO 0.01 -0.49 2.20 -2.30 -0.04 0.00 0.00 175.30 174.68 1q38 n PRO 21 N -0.26 1.69 -0.19 3.89 -0.02 -1.25 0.33 135.00 139.19 1q38 n PRO 21 Ca -0.10 0.47 0.07 0.00 -2.02 0.00 0.00 63.50 61.92 1q38 n PRO 21 Cb 0.63 -2.95 0.14 0.00 -0.02 0.00 0.00 33.50 31.30 1q38 n PRO 21 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1q38 n LYS 22 N 8.47 -0.04 -0.10 -0.52 3.00 0.12 -1.00 118.16 128.09 1q38 n LYS 22 Ca 0.33 0.81 -0.22 0.00 -0.00 0.00 0.00 58.31 59.23 1q38 n LYS 22 Cb 0.37 -1.28 -0.12 0.00 0.00 0.00 0.00 35.03 34.00 1q38 n LYS 22 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1q38 n ASN 23 N -4.70 1.99 -4.57 3.14 5.15 -1.25 -4.71 115.26 110.31 1q38 n ASN 23 Ca 0.12 0.15 -0.42 0.00 -0.60 0.00 0.00 54.58 53.83 1q38 n ASN 23 Cb 0.39 -0.71 -0.01 0.00 -0.53 0.00 0.00 39.78 38.92 1q38 n ASN 23 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 1q38 s SER 24 N -6.95 6.67 0.45 1.20 0.01 -0.17 -4.97 113.70 109.94 1q38 s SER 24 Ca -0.32 -2.14 -0.24 0.00 1.31 0.00 0.00 55.95 54.56 1q38 s SER 24 Cb 0.09 -2.58 -0.07 0.00 0.21 0.00 0.00 66.02 63.67 1q38 s SER 24 CO 0.61 -1.35 1.22 0.54 0.41 0.00 0.00 173.24 174.67 1q38 s VAL 25 N 4.74 2.89 0.00 3.43 0.11 -1.24 -3.75 120.40 126.58 1q38 s VAL 25 Ca 0.53 0.70 0.00 0.00 -2.93 0.00 0.00 61.98 60.28 1q38 s VAL 25 Cb 0.03 -3.37 0.00 0.00 -1.53 0.00 0.00 36.38 31.50 1q38 s VAL 25 CO 0.03 0.03 0.00 0.61 -3.33 0.00 0.00 175.10 172.44 1q38 n GLY 26 N 0.56 -2.05 2.85 6.54 0.00 -1.26 -5.04 105.19 106.79 1q38 n GLY 26 Ca 0.07 0.75 -0.22 0.00 0.00 0.00 0.00 46.02 46.62 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 0.00 0.82 1.17 1.61 0.52 -1.26 -5.15 118.95 116.66 1q38 s ARG 27 Ca 0.00 -0.04 -0.14 0.00 -0.52 0.00 0.00 55.73 55.03 1q38 s ARG 27 Cb 0.00 -0.97 0.28 0.00 0.52 0.00 0.00 34.95 34.78 1q38 s ARG 27 CO 0.00 -0.18 1.04 -1.58 0.02 0.00 0.00 175.30 174.59 1q38 s TRP 28 N 1.39 1.25 0.31 -0.53 0.52 -1.26 -4.66 118.94 115.96 1q38 s TRP 28 Ca -0.03 0.98 0.10 0.00 0.02 0.00 0.00 56.10 57.17 1q38 s TRP 28 Cb -0.13 -3.14 -0.06 0.00 -1.15 0.00 0.00 33.47 28.99 1q38 s TRP 28 CO -0.03 -3.81 -0.13 0.15 0.02 0.00 0.00 176.95 173.15 1q38 s LYS 29 N -4.73 1.71 -0.06 4.98 1.02 0.34 -4.82 119.74 118.18 1q38 s LYS 29 Ca 0.68 -1.84 -0.00 0.00 0.02 0.00 0.00 55.97 54.82 1q38 s LYS 29 Cb -0.21 -1.64 0.03 0.00 -0.52 0.00 0.00 37.83 35.49 1q38 s LYS 29 CO 0.62 0.20 -0.02 -1.21 -0.92 0.00 0.00 175.35 174.01 1q38 s GLU 30 N -3.59 0.79 -0.17 1.68 2.02 -1.24 -2.66 118.70 115.53 1q38 s GLU 30 Ca 0.31 -0.01 -0.04 0.00 0.02 0.00 0.00 54.97 55.24 1q38 s GLU 30 Cb -0.00 -0.98 0.07 0.00 0.10 0.00 0.00 34.13 33.32 1q38 s GLU 30 CO 0.15 -0.21 0.16 0.00 0.02 0.00 0.00 175.26 175.38 1q38 s ALA 31 N 1.51 0.01 -0.30 5.21 0.00 0.84 -4.95 121.76 124.08 1q38 s ALA 31 Ca -0.02 0.10 -0.13 0.00 0.00 0.00 0.00 51.96 51.92 1q38 s ALA 31 Cb -0.13 -1.12 -0.03 0.00 0.00 0.00 0.00 23.12 21.83 1q38 s ALA 31 CO -0.03 -1.08 0.25 0.99 0.00 0.00 0.00 175.76 175.89 1q38 s THR 32 N 2.25 5.26 -0.19 0.00 2.01 -1.26 0.44 115.64 124.16 1q38 s THR 32 Ca 0.05 0.11 -0.02 0.00 0.31 0.00 0.00 61.69 62.14 1q38 s THR 32 Cb -0.15 -3.64 0.05 0.00 0.01 0.00 0.00 72.50 68.77 1q38 s THR 32 CO -0.10 0.12 0.01 -0.63 -0.69 0.00 0.00 174.62 173.33 1q38 s ILE 33 N 1.83 0.72 0.98 1.82 1.09 0.19 -4.92 121.20 122.91 1q38 s ILE 33 Ca 0.09 -0.60 -0.15 0.00 -1.10 0.00 0.00 60.65 58.88 1q38 s ILE 33 Cb -0.16 -1.13 -0.05 0.00 -1.06 0.00 0.00 42.46 40.06 1q38 s ILE 33 CO 0.11 -0.11 -0.20 -2.65 -0.10 0.00 0.00 174.94 171.98 1q38 n PRO 34 N 4.98 -0.21 -1.52 2.79 -0.02 -1.26 -1.42 135.00 138.35 1q38 n PRO 34 Ca -0.10 -0.04 -0.43 0.00 -2.02 0.00 0.00 63.50 60.92 1q38 n PRO 34 Cb 0.47 -1.45 -0.06 0.00 -0.02 0.00 0.00 33.50 32.44 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 2.45 0.34 4.18 -1.23 0.00 -1.14 -2.58 105.19 107.21 1q38 n GLY 35 Ca 0.02 0.84 -0.36 0.00 0.00 0.00 0.00 46.02 46.52 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 12.47 -1.55 0.39 1.61 -0.00 -1.26 -4.79 115.22 122.08 1q38 n HIS 36 Ca 0.41 0.69 0.14 0.00 -0.00 0.00 0.00 57.72 58.96 1q38 n HIS 36 Cb 0.35 -2.44 0.50 0.00 -0.00 0.00 0.00 29.99 28.40 1q38 n HIS 36 CO 0.00 0.00 0.00 1.37 -0.00 0.00 0.00 176.34 177.71 1q38 h LEU 37 N -1.14 0.00 -7.36 0.27 -0.00 -1.83 -3.46 115.31 101.79 1q38 h LEU 37 Ca -0.55 0.00 0.27 0.00 -0.00 0.00 0.00 57.88 57.61 1q38 h LEU 37 Cb 1.36 0.00 -0.11 0.00 -0.00 0.00 0.00 40.66 41.91 1q38 h LEU 37 CO 0.76 0.00 0.71 0.54 -0.00 0.00 0.00 178.44 180.46 1q38 s ASN 38 N -4.87 -0.10 -0.55 0.17 4.22 -1.26 -5.08 114.94 107.46 1q38 s ASN 38 Ca 0.05 -0.22 -0.26 0.00 -2.14 0.00 0.00 52.86 50.29 1q38 s ASN 38 Cb 0.09 0.27 0.04 0.00 1.28 0.00 0.00 41.25 42.93 1q38 s ASN 38 CO 0.49 -0.50 1.05 -0.44 -2.04 0.00 0.00 177.10 175.66 1q38 s SER 39 N -2.94 6.40 -0.19 3.54 0.01 -1.26 -5.00 113.70 114.25 1q38 s SER 39 Ca 0.13 -0.12 -0.00 0.00 1.31 0.00 0.00 55.95 57.27 1q38 s SER 39 Cb 0.03 -2.49 0.01 0.00 0.21 0.00 0.00 66.02 63.78 1q38 s SER 39 CO -0.02 -1.32 -0.16 -0.47 0.41 0.00 0.00 173.24 171.68 1q38 s TYR 40 N 4.35 2.83 0.06 2.43 5.04 -1.26 -5.12 117.35 125.69 1q38 s TYR 40 Ca 0.36 -1.45 0.08 0.00 -2.44 0.00 0.00 57.07 53.62 1q38 s TYR 40 Cb -0.10 -1.97 -0.03 0.00 0.35 0.00 0.00 41.96 40.20 1q38 s TYR 40 CO 0.22 -0.74 -0.18 0.99 -1.34 0.00 0.00 175.55 174.50 1q38 s THR 41 N 1.34 2.77 -0.30 4.34 2.01 -1.26 -5.11 115.64 119.43 1q38 s THR 41 Ca 0.05 -1.28 -0.16 0.00 0.31 0.00 0.00 61.69 60.60 1q38 s THR 41 Cb -0.13 -2.19 -0.02 0.00 0.01 0.00 0.00 72.50 70.16 1q38 s THR 41 CO -0.10 0.27 0.43 -0.63 -0.69 0.00 0.00 174.62 173.90 1q38 s ILE 42 N -0.98 5.11 -0.44 1.82 1.09 -1.26 -4.97 121.20 121.57 1q38 s ILE 42 Ca 0.15 0.45 0.09 0.00 -1.10 0.00 0.00 60.65 60.24 1q38 s ILE 42 Cb -0.10 -3.81 0.33 0.00 -1.06 0.00 0.00 42.46 37.81 1q38 s ILE 42 CO 0.06 -0.01 0.76 0.29 -0.10 0.00 0.00 174.94 175.95 1q38 n LYS 43 N 5.49 1.64 -0.00 2.79 5.02 -1.26 -4.83 118.16 127.00 1q38 n LYS 43 Ca -0.07 -3.83 0.00 0.00 -2.02 0.00 0.00 58.31 52.39 1q38 n LYS 43 Cb 0.50 -1.82 -0.00 0.00 -0.02 0.00 0.00 35.03 33.68 1q38 n LYS 43 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1q38 n GLY 44 N 0.31 0.24 3.81 0.72 0.00 -1.26 -5.02 105.19 103.98 1q38 n GLY 44 Ca 0.26 -0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.76 4.44 0.27 0.99 2.01 -1.26 -5.09 118.68 117.28 1q38 s LEU 45 Ca -0.00 0.97 0.07 0.00 0.01 0.00 0.00 54.13 55.18 1q38 s LEU 45 Cb 0.00 -2.65 -0.03 0.00 0.01 0.00 0.00 46.19 43.52 1q38 s LEU 45 CO 0.03 0.25 0.28 -1.59 1.01 0.00 0.00 176.35 176.32 1q38 s LYS 46 N -0.71 3.02 -0.69 1.70 -2.85 -1.26 -4.67 119.74 114.28 1q38 s LYS 46 Ca 0.25 -1.03 -0.25 0.00 -1.00 0.00 0.00 55.97 53.93 1q38 s LYS 46 Cb -0.17 -2.65 -0.13 0.00 -2.06 0.00 0.00 37.83 32.82 1q38 s LYS 46 CO 0.13 0.31 2.43 -2.30 0.10 0.00 0.00 175.35 176.03 1q38 n PRO 47 N -1.32 0.68 0.00 1.78 -0.02 -1.26 -1.34 135.00 133.53 1q38 n PRO 47 Ca -0.06 -0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.15 1q38 n PRO 47 Cb 0.58 -3.09 0.00 0.00 -0.02 0.00 0.00 33.50 30.97 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 6.28 0.51 3.29 -1.23 0.00 -1.26 -4.81 105.19 107.96 1q38 n GLY 48 Ca 0.46 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.16 2.00 -0.25 1.61 1.01 -0.45 -5.05 120.40 119.11 1q38 s VAL 49 Ca 0.00 -1.07 -0.03 0.00 0.00 0.00 0.00 61.98 60.88 1q38 s VAL 49 Cb 0.00 -1.67 0.01 0.00 0.00 0.00 0.00 36.38 34.72 1q38 s VAL 49 CO 0.00 0.56 -0.03 0.54 0.00 0.00 0.00 175.10 176.18 1q38 s VAL 50 N -0.46 3.28 -0.21 2.92 0.11 -1.26 -4.58 120.40 120.19 1q38 s VAL 50 Ca 0.06 -0.76 -0.07 0.00 -2.93 0.00 0.00 61.98 58.28 1q38 s VAL 50 Cb -0.11 -2.60 -0.03 0.00 -1.53 0.00 0.00 36.38 32.10 1q38 s VAL 50 CO 0.00 0.26 0.06 -0.31 -3.33 0.00 0.00 175.10 171.78 1q38 s TYR 51 N 1.42 3.14 -0.07 1.54 1.51 -0.60 0.16 117.35 124.44 1q38 s TYR 51 Ca 0.03 -0.20 -0.30 0.00 -1.01 0.00 0.00 57.07 55.59 1q38 s TYR 51 Cb -0.16 -2.15 -0.02 0.00 -0.11 0.00 0.00 41.96 39.52 1q38 s TYR 51 CO -0.03 -0.12 1.02 -2.00 -1.11 0.00 0.00 175.55 173.31 1q38 s GLU 52 N 1.01 4.45 0.21 -0.62 2.12 0.15 -0.79 118.70 125.23 1q38 s GLU 52 Ca 0.04 1.43 0.09 0.00 0.36 0.00 0.00 54.97 56.88 1q38 s GLU 52 Cb -0.14 -3.52 -0.04 0.00 0.26 0.00 0.00 34.13 30.69 1q38 s GLU 52 CO 0.03 -0.26 -0.04 0.20 -0.54 0.00 0.00 175.26 174.65 1q38 s GLY 53 N 1.10 1.70 -0.15 -1.50 0.00 0.93 -1.42 107.32 107.98 1q38 s GLY 53 Ca 0.50 -1.52 -0.02 0.00 0.00 0.00 0.00 44.72 43.69 1q38 s GLY 53 CO 0.21 -1.55 -0.01 1.62 0.00 0.00 0.00 173.10 173.37 1q38 s GLN 54 N -3.18 0.94 -0.46 2.90 0.74 0.49 -1.42 119.66 119.67 1q38 s GLN 54 Ca 0.28 -0.32 -0.15 0.00 0.05 0.00 0.00 55.36 55.22 1q38 s GLN 54 Cb -0.08 -1.78 0.06 0.00 1.10 0.00 0.00 33.01 32.31 1q38 s GLN 54 CO 0.18 -0.47 0.36 -0.51 -0.55 0.00 0.00 175.29 174.30 1q38 s LEU 55 N 1.80 5.48 -0.19 3.68 1.02 -0.15 -0.92 118.68 129.41 1q38 s LEU 55 Ca 0.01 -1.25 -0.01 0.00 0.02 0.00 0.00 54.13 52.90 1q38 s LEU 55 Cb -0.15 -2.16 0.01 0.00 0.02 0.00 0.00 46.19 43.90 1q38 s LEU 55 CO -0.07 -0.60 -0.15 -0.63 0.02 0.00 0.00 176.35 174.93 1q38 s ILE 56 N 1.63 2.57 0.11 -0.59 1.01 -0.66 -1.54 121.20 123.73 1q38 s ILE 56 Ca 0.04 -0.78 -0.28 0.00 0.00 0.00 0.00 60.65 59.64 1q38 s ILE 56 Cb -0.23 -2.11 -0.06 0.00 0.01 0.00 0.00 42.46 40.07 1q38 s ILE 56 CO 0.07 0.50 0.87 -0.44 0.00 0.00 0.00 174.94 175.94 1q38 s SER 57 N 1.23 7.40 -0.10 3.58 0.01 0.10 0.23 113.70 126.16 1q38 s SER 57 Ca 0.03 1.67 0.03 0.00 1.31 0.00 0.00 55.95 58.99 1q38 s SER 57 Cb -0.14 -2.54 -0.01 0.00 0.21 0.00 0.00 66.02 63.54 1q38 s SER 57 CO -0.07 0.03 -0.19 -0.63 0.41 0.00 0.00 173.24 172.79 1q38 s ILE 58 N -0.32 2.56 0.40 1.44 1.01 0.37 0.71 121.20 127.36 1q38 s ILE 58 Ca 0.42 -0.86 0.02 0.00 0.00 0.00 0.00 60.65 60.23 1q38 s ILE 58 Cb -0.23 -2.01 0.07 0.00 0.01 0.00 0.00 42.46 40.31 1q38 s ILE 58 CO 0.27 0.55 0.54 1.67 0.00 0.00 0.00 174.94 177.98 1q38 n GLN 59 N 3.25 0.40 0.28 2.79 0.00 -1.25 -2.71 117.38 120.14 1q38 n GLN 59 Ca -0.18 -1.68 0.12 0.00 -0.00 0.00 0.00 57.00 55.25 1q38 n GLN 59 Cb 0.53 -0.30 0.77 0.00 0.00 0.00 0.00 30.24 31.24 1q38 n GLN 59 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.06 176.50 1q38 h GLN 60 N 0.00 0.00 -0.01 3.69 -0.00 -1.99 -0.64 115.11 116.16 1q38 h GLN 60 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.47 1q38 h GLN 60 Cb 0.72 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.20 1q38 h GLN 60 CO 0.21 0.02 -0.46 2.48 -0.00 0.00 0.00 178.83 181.08 1q38 n TYR 61 N -4.15 0.00 0.00 0.06 4.11 -1.26 -5.09 117.16 110.84 1q38 n TYR 61 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.87 1q38 n TYR 61 Cb 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.44 1q38 n TYR 61 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1q38 n GLY 62 N 1.29 1.67 1.37 -7.48 0.00 -0.25 -5.12 105.19 96.67 1q38 n GLY 62 Ca 0.07 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.37 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 1.62 -3.49 0.03 1.61 -0.00 -1.26 -4.30 115.22 109.42 1q38 n HIS 63 Ca 0.00 1.84 0.00 0.00 -0.00 0.00 0.00 57.72 59.56 1q38 n HIS 63 Cb 0.00 -3.09 0.00 0.00 -0.00 0.00 0.00 29.99 26.90 1q38 n HIS 63 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 1q38 n GLN 64 N 0.32 0.00 -3.85 1.57 1.13 0.22 -3.77 117.38 113.00 1q38 n GLN 64 Ca 0.00 0.00 -0.12 0.00 -1.94 0.00 0.00 57.00 54.94 1q38 n GLN 64 Cb 0.00 0.00 -0.11 0.00 0.11 0.00 0.00 30.24 30.24 1q38 n GLN 64 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 1q38 s GLU 65 N -2.00 0.32 -0.07 -1.09 2.12 -0.80 -4.87 118.70 112.32 1q38 s GLU 65 Ca 0.00 -0.12 -0.00 0.00 0.36 0.00 0.00 54.97 55.20 1q38 s GLU 65 Cb 0.00 0.14 0.03 0.00 0.26 0.00 0.00 34.13 34.55 1q38 s GLU 65 CO 0.00 -0.07 -0.02 0.08 -0.54 0.00 0.00 175.26 174.71 1q38 s VAL 66 N -0.69 0.49 -0.06 3.70 1.01 -1.26 0.02 120.40 123.61 1q38 s VAL 66 Ca -0.08 0.00 -0.01 0.00 0.00 0.00 0.00 61.98 61.89 1q38 s VAL 66 Cb -0.05 -0.59 0.03 0.00 0.00 0.00 0.00 36.38 35.78 1q38 s VAL 66 CO 0.01 0.26 0.02 -0.89 0.00 0.00 0.00 175.10 174.50 1q38 s THR 67 N 1.59 0.18 -0.23 3.92 2.01 -0.59 -5.00 115.64 117.52 1q38 s THR 67 Ca -0.00 0.24 -0.03 0.00 0.31 0.00 0.00 61.69 62.20 1q38 s THR 67 Cb -0.13 -0.37 0.00 0.00 0.01 0.00 0.00 72.50 72.01 1q38 s THR 67 CO -0.04 0.22 -0.05 -0.13 -0.69 0.00 0.00 174.62 173.94 1q38 s ARG 68 N 2.00 3.20 -0.23 4.92 0.52 -1.26 -0.97 118.95 127.13 1q38 s ARG 68 Ca 0.04 -0.74 -0.19 0.00 -0.52 0.00 0.00 55.73 54.32 1q38 s ARG 68 Cb -0.12 -3.01 0.06 0.00 0.52 0.00 0.00 34.95 32.40 1q38 s ARG 68 CO -0.04 -0.27 0.60 -0.59 0.02 0.00 0.00 175.30 175.02 1q38 s PHE 69 N 1.43 -0.72 -0.05 -0.53 -0.71 -0.51 -5.02 117.98 111.88 1q38 s PHE 69 Ca 0.04 1.66 -0.17 0.00 -1.04 0.00 0.00 56.93 57.42 1q38 s PHE 69 Cb -0.15 0.29 -0.05 0.00 -1.21 0.00 0.00 43.02 41.90 1q38 s PHE 69 CO -0.04 -0.35 0.45 0.16 -1.34 0.00 0.00 175.22 174.10 1q38 s ASP 70 N 0.63 6.77 0.10 1.98 -4.77 -1.26 -0.05 116.67 120.06 1q38 s ASP 70 Ca -0.02 0.92 -0.02 0.00 -3.30 0.00 0.00 52.55 50.12 1q38 s ASP 70 Cb -0.05 -2.28 -0.04 0.00 -1.09 0.00 0.00 42.92 39.47 1q38 s ASP 70 CO -0.04 0.17 0.04 0.72 0.70 0.00 0.00 175.17 176.77 1q38 s PHE 71 N -0.29 0.66 -0.15 2.11 -0.12 0.03 -4.90 117.98 115.33 1q38 s PHE 71 Ca 0.25 -1.11 -0.09 0.00 -0.05 0.00 0.00 56.93 55.94 1q38 s PHE 71 Cb -0.16 -0.40 0.05 0.00 -0.63 0.00 0.00 43.02 41.88 1q38 s PHE 71 CO 0.12 -0.48 0.36 -0.08 -0.05 0.00 0.00 175.22 175.09 1q38 s THR 72 N -3.98 -0.03 -1.74 -4.49 -1.32 -1.26 -1.56 115.64 101.26 1q38 s THR 72 Ca 0.16 0.09 0.05 0.00 -1.21 0.00 0.00 61.69 60.78 1q38 s THR 72 Cb 0.07 -0.53 0.16 0.00 -1.51 0.00 0.00 72.50 70.69 1q38 s THR 72 CO -0.04 0.04 1.05 1.07 -2.21 0.00 0.00 174.62 174.53 1q38 n THR 73 N 4.05 0.31 -4.64 5.08 5.66 -1.26 -4.80 114.28 118.68 1q38 n THR 73 Ca -0.22 -0.24 -0.33 0.00 -3.05 0.00 0.00 64.05 60.21 1q38 n THR 73 Cb 0.55 -0.01 -0.06 0.00 -1.55 0.00 0.00 70.33 69.26 1q38 n THR 73 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1q38 n THR 74 N 0.02 0.00 -2.94 1.09 -2.24 -1.26 -4.93 114.28 104.02 1q38 n THR 74 Ca 0.06 -2.43 0.00 0.00 -2.27 0.00 0.00 64.05 59.40 1q38 n THR 74 Cb 0.21 0.41 0.00 0.00 -2.10 0.00 0.00 70.33 68.85 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 -1.40 -2.62 -3.27 3.42 2.88 -1.26 -4.79 113.62 106.57 1q38 n SER 75 Ca -0.19 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.29 1q38 n SER 75 Cb 0.66 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.08 1q38 n SER 75 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1q38 s THR 76 N 0.00 -0.70 0.00 2.46 -4.23 -1.26 -5.04 115.64 106.87 1q38 s THR 76 Ca 0.00 -0.35 0.00 0.00 -1.18 0.00 0.00 61.69 60.16 1q38 s THR 76 Cb 0.00 -0.70 0.00 0.00 1.34 0.00 0.00 72.50 73.14 1q38 s THR 76 CO 0.00 -0.25 0.00 -1.20 -0.54 0.00 0.00 174.62 172.63 1q38 n SER 77 N 4.90 0.00 -3.57 3.99 7.64 -1.26 -5.20 113.62 120.12 1q38 n SER 77 Ca 0.06 -0.49 -0.06 0.00 1.01 0.00 0.00 58.87 59.39 1q38 n SER 77 Cb 0.51 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.69 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 -2.69 0.00 -2.39 0.44 -4.23 -1.26 -5.03 115.64 100.48 1q38 s THR 78 Ca 0.00 -0.13 0.25 0.00 -1.18 0.00 0.00 61.69 60.63 1q38 s THR 78 Cb 0.00 -1.25 0.52 0.00 1.34 0.00 0.00 72.50 73.12 1q38 s THR 78 CO 0.00 0.00 1.68 -0.81 -0.54 0.00 0.00 174.62 174.95 1q38 n PRO 79 N -0.27 1.66 0.03 3.99 -0.04 -1.26 -4.50 135.00 134.62 1q38 n PRO 79 Ca -0.06 -0.98 -0.01 0.00 -0.04 0.00 0.00 63.50 62.41 1q38 n PRO 79 Cb 0.61 -1.44 -0.00 0.00 -0.04 0.00 0.00 33.50 32.62 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 1.15 -0.06 5.13 0.55 0.00 -1.26 -5.02 105.19 105.67 1q38 n GLY 80 Ca 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -3.45 0.00 -4.71 1.61 2.88 -1.26 -4.64 113.62 104.05 1q38 n SER 81 Ca -0.01 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.30 1q38 n SER 81 Cb 0.04 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.43 1q38 n SER 81 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1q38 s ARG 82 N 0.00 2.51 0.00 -1.46 1.70 -1.26 -5.07 118.95 115.37 1q38 s ARG 82 Ca 0.00 -1.31 0.00 0.00 -0.47 0.00 0.00 55.73 53.95 1q38 s ARG 82 Cb 0.00 -2.30 0.00 0.00 -0.57 0.00 0.00 34.95 32.08 1q38 s ARG 82 CO 0.00 0.35 0.00 0.45 -1.08 0.00 0.00 175.30 175.02 1q38 n SER 83 N -1.01 0.00 0.00 -2.89 2.88 -1.26 -5.11 113.62 106.23 1q38 n SER 83 Ca -0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.47 1q38 n SER 83 Cb 0.59 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.05 1q38 n SER 83 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1q38 n HIS 84 N -2.20 0.00 0.00 0.66 8.25 -1.26 -5.06 115.22 115.61 1q38 n HIS 84 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1q38 n HIS 84 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 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 -0.24 0.00 -3.59 4.41 8.25 -1.26 -5.13 115.22 117.66 1q38 n HIS 85 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1q38 n HIS 85 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1q38 n HIS 85 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1q38 n HIS 86 N -0.46 0.00 -3.40 4.41 1.44 -1.26 -5.12 115.22 110.83 1q38 n HIS 86 Ca 0.00 0.00 -0.44 0.00 -2.01 0.00 0.00 57.72 55.27 1q38 n HIS 86 Cb 0.03 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.06 1q38 n HIS 86 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 1q38 s HIS 87 N -1.36 3.25 0.00 -1.40 2.46 -1.26 -4.67 115.29 112.30 1q38 s HIS 87 Ca 0.00 -0.89 0.00 0.00 0.47 0.00 0.00 55.06 54.64 1q38 s HIS 87 Cb 0.00 -3.09 0.00 0.00 -0.13 0.00 0.00 32.58 29.36 1q38 s HIS 87 CO 0.00 -0.77 0.00 1.58 -2.47 0.00 0.00 174.74 173.08 1q38 n HIS 88 N 5.19 -0.67 -0.38 3.88 -0.00 -1.26 -5.20 115.22 116.78 1q38 n HIS 88 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.60 1q38 n HIS 88 Cb 0.44 0.16 0.00 0.00 -0.00 0.00 0.00 29.99 30.59 1q38 n HIS 88 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06