#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q38 h ARG 2 N 0.00 0.58 0.00 0.03 9.65 -2.09 -3.50 114.38 119.06 1q38 h ARG 2 Ca 0.00 -0.26 0.00 0.00 -1.10 0.00 0.00 59.98 58.62 1q38 h ARG 2 Cb 0.00 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.57 1q38 h ARG 2 CO 0.00 0.84 0.00 0.41 2.80 0.00 0.00 179.97 184.02 1q38 n GLY 3 N -0.00 -2.12 0.00 2.80 0.00 -1.26 -5.08 105.19 99.53 1q38 n GLY 3 Ca -0.04 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.65 1q38 n GLY 3 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1q38 n SER 4 N -1.19 0.00 -3.15 1.61 7.64 -1.26 -5.12 113.62 112.15 1q38 n SER 4 Ca 0.00 0.00 0.05 0.00 1.01 0.00 0.00 58.87 59.93 1q38 n SER 4 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 1q38 n SER 4 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1q38 s ASN 5 N -0.44 -0.98 -0.45 6.43 2.47 -1.26 -5.09 114.94 115.62 1q38 s ASN 5 Ca 0.00 0.54 0.07 0.00 0.42 0.00 0.00 52.86 53.88 1q38 s ASN 5 Cb 0.00 1.79 0.24 0.00 -1.45 0.00 0.00 41.25 41.83 1q38 s ASN 5 CO 0.00 -0.18 0.73 0.00 -3.72 0.00 0.00 177.10 173.93 1q38 n ALA 6 N 5.43 0.14 -2.03 1.71 0.00 -1.26 -5.14 120.51 119.36 1q38 n ALA 6 Ca -0.02 -2.19 -0.38 0.00 0.00 0.00 0.00 53.44 50.84 1q38 n ALA 6 Cb 0.53 -1.13 -0.06 0.00 0.00 0.00 0.00 19.45 18.79 1q38 n ALA 6 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1q38 s PRO 7 N -0.03 4.45 -0.28 0.00 0.04 -1.26 -4.84 135.00 133.07 1q38 s PRO 7 Ca 0.33 1.05 -0.11 0.00 0.04 0.00 0.00 61.00 62.31 1q38 s PRO 7 Cb 0.19 -3.12 0.11 0.00 0.04 0.00 0.00 34.50 31.72 1q38 s PRO 7 CO -0.19 0.51 0.63 1.14 0.04 0.00 0.00 177.00 179.13 1q38 s GLN 8 N -1.44 0.58 0.09 4.56 -2.07 -1.26 -5.07 119.66 115.05 1q38 s GLN 8 Ca 0.38 1.33 -0.32 0.00 -1.82 0.00 0.00 55.36 54.93 1q38 s GLN 8 Cb -0.21 0.59 -0.15 0.00 -1.09 0.00 0.00 33.01 32.15 1q38 s GLN 8 CO 0.24 -0.19 1.61 -1.35 -1.32 0.00 0.00 175.29 174.28 1q38 h PRO 9 N 7.71 -0.77 0.00 9.60 0.11 -1.78 -3.33 132.00 143.54 1q38 h PRO 9 Ca -0.22 0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.94 1q38 h PRO 9 Cb 1.14 0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1q38 h PRO 9 CO 0.13 -0.51 0.00 0.43 -0.21 0.00 0.00 178.00 177.83 1q38 n SER 10 N -5.47 0.00 -0.01 -2.05 7.64 -1.26 -2.97 113.62 109.50 1q38 n SER 10 Ca -0.11 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 59.77 1q38 n SER 10 Cb 0.37 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.57 1q38 n SER 10 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 1q38 h HIS 11 N 0.00 0.00 -3.24 1.43 3.86 -1.97 -3.47 115.15 111.76 1q38 h HIS 11 Ca 0.00 0.00 -0.57 0.00 -1.16 0.00 0.00 60.37 58.64 1q38 h HIS 11 Cb 0.00 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.43 1q38 h HIS 11 CO 0.00 0.00 -0.10 -1.50 0.86 0.00 0.00 177.93 177.19 1q38 s ILE 12 N -1.15 4.86 0.03 2.45 1.10 -1.16 -5.00 121.20 122.34 1q38 s ILE 12 Ca -0.01 0.91 -0.24 0.00 -0.51 0.00 0.00 60.65 60.81 1q38 s ILE 12 Cb 0.00 -3.77 -0.16 0.00 0.15 0.00 0.00 42.46 38.68 1q38 s ILE 12 CO 0.02 0.38 1.45 0.28 -2.11 0.00 0.00 174.94 174.97 1q38 h SER 13 N 4.02 0.09 -4.21 4.50 0.02 -1.84 -3.37 113.55 112.76 1q38 h SER 13 Ca -0.49 -0.31 -0.02 0.00 -0.84 0.00 0.00 61.79 60.12 1q38 h SER 13 Cb 1.20 -0.02 -0.21 0.00 0.14 0.00 0.00 62.40 63.51 1q38 h SER 13 CO 0.64 0.38 0.22 -1.59 -1.14 0.00 0.00 176.83 175.35 1q38 s LYS 14 N -4.96 0.84 -0.12 3.45 -2.85 -1.00 -4.74 119.74 110.36 1q38 s LYS 14 Ca -0.15 0.66 0.03 0.00 -1.00 0.00 0.00 55.97 55.51 1q38 s LYS 14 Cb 0.04 0.41 0.00 0.00 -2.06 0.00 0.00 37.83 36.22 1q38 s LYS 14 CO 0.69 -0.17 -0.21 0.71 0.10 0.00 0.00 175.35 176.46 1q38 s TYR 15 N -0.23 2.64 -0.10 1.78 2.02 -0.93 -2.33 117.35 120.20 1q38 s TYR 15 Ca -0.03 -1.08 0.01 0.00 -0.37 0.00 0.00 57.07 55.60 1q38 s TYR 15 Cb -0.03 -1.77 -0.02 0.00 -0.40 0.00 0.00 41.96 39.74 1q38 s TYR 15 CO 0.03 -0.45 -0.13 0.42 -1.57 0.00 0.00 175.55 173.85 1q38 s ILE 16 N 0.52 3.10 -0.28 2.71 -1.09 -0.11 0.13 121.20 126.18 1q38 s ILE 16 Ca -0.13 -0.67 -0.04 0.00 -2.23 0.00 0.00 60.65 57.57 1q38 s ILE 16 Cb -0.17 -2.27 0.02 0.00 -1.58 0.00 0.00 42.46 38.46 1q38 s ILE 16 CO 0.05 0.55 0.02 -0.22 -1.23 0.00 0.00 174.94 174.11 1q38 s LEU 17 N -0.12 3.59 -0.15 2.97 0.20 0.46 -0.67 118.68 124.97 1q38 s LEU 17 Ca -0.01 -0.82 -0.02 0.00 0.69 0.00 0.00 54.13 53.97 1q38 s LEU 17 Cb -0.14 -1.78 -0.02 0.00 -0.43 0.00 0.00 46.19 43.83 1q38 s LEU 17 CO 0.03 -0.17 -0.09 -0.13 -0.29 0.00 0.00 176.35 175.70 1q38 s ARG 18 N 1.41 3.47 0.05 1.98 0.52 -0.59 -1.49 118.95 124.30 1q38 s ARG 18 Ca 0.01 -0.63 -0.11 0.00 -0.52 0.00 0.00 55.73 54.48 1q38 s ARG 18 Cb -0.17 -2.78 0.01 0.00 0.52 0.00 0.00 34.95 32.53 1q38 s ARG 18 CO -0.01 0.15 0.23 1.67 0.02 0.00 0.00 175.30 177.37 1q38 s TRP 19 N 0.55 0.01 0.00 -0.53 -2.14 -1.08 0.14 118.94 115.90 1q38 s TRP 19 Ca -0.06 -0.24 -0.28 0.00 2.66 0.00 0.00 56.10 58.18 1q38 s TRP 19 Cb -0.15 0.01 0.07 0.00 -3.10 0.00 0.00 33.47 30.30 1q38 s TRP 19 CO 0.03 -0.48 0.63 -0.98 -2.66 0.00 0.00 176.95 173.49 1q38 s ARG 20 N -2.80 1.08 -0.14 3.25 1.04 0.12 -1.26 118.95 120.24 1q38 s ARG 20 Ca -0.03 0.04 -0.31 0.00 -1.04 0.00 0.00 55.73 54.39 1q38 s ARG 20 Cb 0.00 0.50 -0.08 0.00 -2.04 0.00 0.00 34.95 33.33 1q38 s ARG 20 CO -0.05 -0.37 2.09 -2.30 -0.04 0.00 0.00 175.30 174.63 1q38 n PRO 21 N 0.62 2.15 -0.01 3.89 -0.02 -1.26 -0.84 135.00 139.53 1q38 n PRO 21 Ca -0.19 0.70 -0.09 0.00 -2.02 0.00 0.00 63.50 61.90 1q38 n PRO 21 Cb 0.59 -2.98 0.07 0.00 -0.02 0.00 0.00 33.50 31.16 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 12.45 0.59 0.14 -0.52 3.64 -1.48 -3.24 116.57 128.16 1q38 h LYS 22 Ca -0.43 -0.34 -0.32 0.00 -1.27 0.00 0.00 60.65 58.29 1q38 h LYS 22 Cb 1.26 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 33.10 1q38 h LYS 22 CO 0.96 0.94 -1.58 -0.91 -2.27 0.00 0.00 179.45 176.59 1q38 h ASN 23 N 0.47 0.46 -3.38 4.20 2.35 -1.87 -3.47 115.58 114.33 1q38 h ASN 23 Ca 0.03 -0.64 0.00 0.00 -0.55 0.00 0.00 56.30 55.13 1q38 h ASN 23 Cb 1.01 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 39.23 1q38 h ASN 23 CO 0.09 1.53 0.00 -0.24 -1.65 0.00 0.00 177.43 177.17 1q38 n SER 24 N -3.49 0.00 -3.68 5.81 2.88 -1.22 -5.06 113.62 108.85 1q38 n SER 24 Ca -0.18 -0.96 -0.29 0.00 -1.33 0.00 0.00 58.87 56.11 1q38 n SER 24 Cb 1.05 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 64.36 1q38 n SER 24 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1q38 s VAL 25 N 0.51 0.50 0.00 2.46 0.11 -1.26 -4.72 120.40 118.00 1q38 s VAL 25 Ca 0.00 -0.95 0.00 0.00 -2.93 0.00 0.00 61.98 58.10 1q38 s VAL 25 Cb 0.00 -1.27 0.00 0.00 -1.53 0.00 0.00 36.38 33.58 1q38 s VAL 25 CO 0.00 -0.54 0.00 0.61 -3.33 0.00 0.00 175.10 171.84 1q38 n GLY 26 N 5.02 5.50 3.30 6.54 0.00 -1.26 -5.06 105.19 119.23 1q38 n GLY 26 Ca -0.05 -0.90 -0.24 0.00 0.00 0.00 0.00 46.02 44.83 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 4.81 1.18 1.19 1.61 3.00 -1.26 -4.99 118.95 124.49 1q38 s ARG 27 Ca 0.00 -1.22 -0.17 0.00 0.00 0.00 0.00 55.73 54.34 1q38 s ARG 27 Cb 0.00 -1.44 0.28 0.00 0.00 0.00 0.00 34.95 33.78 1q38 s ARG 27 CO 0.00 0.33 1.06 -1.58 0.00 0.00 0.00 175.30 175.11 1q38 s TRP 28 N -1.27 0.82 0.01 -0.53 0.52 -1.26 -4.64 118.94 112.59 1q38 s TRP 28 Ca 0.09 0.72 -0.07 0.00 0.02 0.00 0.00 56.10 56.85 1q38 s TRP 28 Cb -0.09 -3.26 -0.00 0.00 -1.15 0.00 0.00 33.47 28.96 1q38 s TRP 28 CO 0.05 -3.85 0.12 0.15 0.02 0.00 0.00 176.95 173.44 1q38 s LYS 29 N -5.11 0.48 -0.05 4.98 -0.14 -0.39 -4.89 119.74 114.63 1q38 s LYS 29 Ca 0.69 -0.45 0.07 0.00 -1.36 0.00 0.00 55.97 54.91 1q38 s LYS 29 Cb -0.15 0.20 -0.01 0.00 -1.68 0.00 0.00 37.83 36.19 1q38 s LYS 29 CO 0.58 -0.11 -0.25 -1.21 -0.76 0.00 0.00 175.35 173.59 1q38 s GLU 30 N -1.51 2.42 -0.15 1.68 2.02 -1.24 -2.62 118.70 119.31 1q38 s GLU 30 Ca -0.14 -0.91 -0.04 0.00 0.02 0.00 0.00 54.97 53.90 1q38 s GLU 30 Cb -0.07 -2.13 0.06 0.00 0.10 0.00 0.00 34.13 32.08 1q38 s GLU 30 CO 0.01 0.44 0.10 0.00 0.02 0.00 0.00 175.26 175.82 1q38 s ALA 31 N -0.30 0.30 0.11 5.21 0.00 -0.55 -4.89 121.76 121.64 1q38 s ALA 31 Ca 0.01 -0.14 -0.24 0.00 0.00 0.00 0.00 51.96 51.59 1q38 s ALA 31 Cb -0.13 -0.98 -0.07 0.00 0.00 0.00 0.00 23.12 21.94 1q38 s ALA 31 CO 0.02 -1.04 0.72 0.99 0.00 0.00 0.00 175.76 176.45 1q38 s THR 32 N 2.17 4.56 -0.16 0.00 2.01 -1.25 -0.40 115.64 122.57 1q38 s THR 32 Ca 0.03 1.56 -0.01 0.00 0.31 0.00 0.00 61.69 63.58 1q38 s THR 32 Cb -0.15 -4.07 0.04 0.00 0.01 0.00 0.00 72.50 68.33 1q38 s THR 32 CO -0.08 0.49 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.67 1q38 s ILE 33 N -0.82 1.00 -1.00 1.82 -1.09 0.12 -4.94 121.20 116.30 1q38 s ILE 33 Ca 0.35 -0.58 -0.23 0.00 -2.23 0.00 0.00 60.65 57.95 1q38 s ILE 33 Cb -0.21 -1.22 0.04 0.00 -1.58 0.00 0.00 42.46 39.49 1q38 s ILE 33 CO 0.23 0.09 1.51 -2.16 -1.23 0.00 0.00 174.94 173.39 1q38 s PRO 34 N 1.68 3.45 2.36 2.79 0.04 -1.26 -2.19 135.00 141.86 1q38 s PRO 34 Ca 0.01 -0.98 0.00 0.00 0.04 0.00 0.00 61.00 60.06 1q38 s PRO 34 Cb -0.15 -5.28 0.00 0.00 0.04 0.00 0.00 34.50 29.10 1q38 s PRO 34 CO -0.07 -2.36 0.00 0.41 0.04 0.00 0.00 177.00 175.02 1q38 n GLY 35 N 6.84 0.86 2.75 0.56 0.00 -1.25 -3.55 105.19 111.40 1q38 n GLY 35 Ca 0.33 0.46 -0.06 0.00 0.00 0.00 0.00 46.02 46.75 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 -3.46 0.05 1.61 -0.00 -1.26 -4.95 115.22 107.21 1q38 n HIS 36 Ca 0.00 -1.52 -0.01 0.00 0.46 0.00 0.00 57.72 56.65 1q38 n HIS 36 Cb 0.00 1.51 0.28 0.00 -0.12 0.00 0.00 29.99 31.67 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 4.44 0.39 0.00 0.27 -0.00 -1.88 -3.48 115.31 115.04 1q38 h LEU 37 Ca -0.05 -0.10 0.00 0.00 -0.00 0.00 0.00 57.88 57.73 1q38 h LEU 37 Cb 1.07 -0.10 0.00 0.00 -0.00 0.00 0.00 40.66 41.63 1q38 h LEU 37 CO 0.16 0.57 0.00 -0.46 -0.00 0.00 0.00 178.44 178.71 1q38 n ASN 38 N -4.20 0.00 -4.58 0.17 6.94 -1.26 -5.02 115.26 107.31 1q38 n ASN 38 Ca 0.00 0.00 -0.42 0.00 -0.02 0.00 0.00 54.58 54.14 1q38 n ASN 38 Cb 0.32 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.72 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 -3.75 6.19 -0.32 0.53 0.01 -1.26 -4.98 113.70 110.13 1q38 s SER 39 Ca 0.00 0.27 -0.21 0.00 1.31 0.00 0.00 55.95 57.32 1q38 s SER 39 Cb 0.00 -2.55 -0.01 0.00 0.21 0.00 0.00 66.02 63.68 1q38 s SER 39 CO 0.00 -1.66 0.65 -0.47 0.41 0.00 0.00 173.24 172.17 1q38 s TYR 40 N 5.84 3.20 -0.11 2.43 6.14 -1.26 -5.05 117.35 128.54 1q38 s TYR 40 Ca 0.51 0.56 0.02 0.00 0.64 0.00 0.00 57.07 58.79 1q38 s TYR 40 Cb -0.10 -3.05 -0.01 0.00 0.42 0.00 0.00 41.96 39.21 1q38 s TYR 40 CO 0.25 -0.52 -0.17 0.99 0.64 0.00 0.00 175.55 176.74 1q38 s THR 41 N 2.67 2.73 -0.19 4.34 2.01 -1.26 -5.00 115.64 120.94 1q38 s THR 41 Ca 0.26 -0.79 -0.08 0.00 0.31 0.00 0.00 61.69 61.39 1q38 s THR 41 Cb -0.15 -2.11 -0.04 0.00 0.01 0.00 0.00 72.50 70.21 1q38 s THR 41 CO 0.13 0.54 0.09 -0.63 -0.69 0.00 0.00 174.62 174.06 1q38 s ILE 42 N 0.20 5.06 0.00 1.82 1.01 -1.26 -5.08 121.20 122.95 1q38 s ILE 42 Ca -0.10 0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.61 1q38 s ILE 42 Cb -0.16 -3.29 0.00 0.00 0.01 0.00 0.00 42.46 39.02 1q38 s ILE 42 CO 0.06 0.46 0.00 0.29 0.00 0.00 0.00 174.94 175.75 1q38 n LYS 43 N 3.45 0.58 -0.23 2.79 5.02 -1.26 -4.89 118.16 123.63 1q38 n LYS 43 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.13 1q38 n LYS 43 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.53 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 1.24 0.72 0.07 0.72 0.00 -1.26 -5.08 105.19 101.61 1q38 n GLY 44 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 -4.03 0.99 7.99 -1.26 -5.09 117.00 115.60 1q38 n LEU 45 Ca 0.00 -0.02 -0.11 0.00 -0.01 0.00 0.00 56.01 55.87 1q38 n LEU 45 Cb 0.00 -0.02 -0.11 0.00 -0.11 0.00 0.00 43.42 43.18 1q38 n LEU 45 CO 0.00 -0.82 -0.38 -0.54 -1.51 0.00 0.00 177.39 174.14 1q38 s LYS 46 N -3.05 0.44 -0.05 3.23 1.02 -1.26 -4.88 119.74 115.19 1q38 s LYS 46 Ca 0.01 -0.73 -0.30 0.00 0.02 0.00 0.00 55.97 54.97 1q38 s LYS 46 Cb -0.00 -0.08 -0.05 0.00 -0.52 0.00 0.00 37.83 37.18 1q38 s LYS 46 CO 0.01 -0.00 1.45 -1.25 -0.92 0.00 0.00 175.35 174.63 1q38 s PRO 47 N -1.71 4.24 0.00 -1.68 0.04 -1.26 -2.80 135.00 131.83 1q38 s PRO 47 Ca -0.11 1.97 0.00 0.00 0.04 0.00 0.00 61.00 62.89 1q38 s PRO 47 Cb -0.09 -3.74 0.00 0.00 0.04 0.00 0.00 34.50 30.71 1q38 s PRO 47 CO -0.01 -0.69 0.00 0.41 0.04 0.00 0.00 177.00 176.75 1q38 n GLY 48 N 3.79 2.21 3.18 0.56 0.00 -1.26 -4.94 105.19 108.73 1q38 n GLY 48 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.36 2.07 -0.01 1.61 0.11 -1.12 -5.05 120.40 115.64 1q38 s VAL 49 Ca 0.00 -0.98 -0.09 0.00 -2.93 0.00 0.00 61.98 57.98 1q38 s VAL 49 Cb 0.00 -1.82 -0.05 0.00 -1.53 0.00 0.00 36.38 32.98 1q38 s VAL 49 CO 0.00 0.55 0.30 -0.69 -3.33 0.00 0.00 175.10 171.93 1q38 s VAL 50 N 0.75 5.25 -0.19 2.04 1.01 -1.26 -4.49 120.40 123.50 1q38 s VAL 50 Ca -0.09 0.37 -0.04 0.00 0.00 0.00 0.00 61.98 62.22 1q38 s VAL 50 Cb -0.16 -3.58 -0.02 0.00 0.00 0.00 0.00 36.38 32.62 1q38 s VAL 50 CO -0.01 0.45 -0.03 -0.31 0.00 0.00 0.00 175.10 175.20 1q38 s TYR 51 N -1.22 2.99 0.36 5.22 1.51 -1.06 -1.22 117.35 123.94 1q38 s TYR 51 Ca 0.25 -0.57 -0.06 0.00 -1.01 0.00 0.00 57.07 55.69 1q38 s TYR 51 Cb -0.14 -2.05 -0.05 0.00 -0.11 0.00 0.00 41.96 39.61 1q38 s TYR 51 CO 0.14 -0.28 0.66 -1.83 -1.11 0.00 0.00 175.55 173.12 1q38 s GLU 52 N 0.96 3.64 -0.09 -0.62 4.04 -0.02 -2.14 118.70 124.48 1q38 s GLU 52 Ca 0.01 0.15 -0.30 0.00 0.04 0.00 0.00 54.97 54.86 1q38 s GLU 52 Cb -0.14 -2.52 0.11 0.00 0.02 0.00 0.00 34.13 31.59 1q38 s GLU 52 CO 0.01 0.05 0.88 0.20 -1.84 0.00 0.00 175.26 174.57 1q38 s GLY 53 N -3.42 -0.39 -0.04 -3.83 0.00 -0.69 -0.71 107.32 98.24 1q38 s GLY 53 Ca 0.46 1.61 0.02 0.00 0.00 0.00 0.00 44.72 46.81 1q38 s GLY 53 CO 0.34 0.85 -0.07 -0.86 0.00 0.00 0.00 173.10 173.36 1q38 s GLN 54 N -1.60 0.92 -0.45 2.90 -2.07 0.12 -0.03 119.66 119.45 1q38 s GLN 54 Ca -0.03 -0.20 -0.15 0.00 -1.82 0.00 0.00 55.36 53.16 1q38 s GLN 54 Cb -0.00 -0.87 0.05 0.00 -1.09 0.00 0.00 33.01 31.09 1q38 s GLN 54 CO 0.01 0.00 0.36 -1.17 -1.32 0.00 0.00 175.29 173.18 1q38 s LEU 55 N 0.60 5.42 0.02 2.60 2.96 -0.49 -1.55 118.68 128.25 1q38 s LEU 55 Ca -0.09 -1.16 -0.17 0.00 -0.22 0.00 0.00 54.13 52.49 1q38 s LEU 55 Cb -0.12 -2.18 -0.06 0.00 0.50 0.00 0.00 46.19 44.33 1q38 s LEU 55 CO 0.01 -0.58 0.49 -0.63 -1.32 0.00 0.00 176.35 174.32 1q38 s ILE 56 N 1.67 4.91 -0.18 6.68 1.09 0.16 -2.31 121.20 133.22 1q38 s ILE 56 Ca 0.05 1.04 -0.00 0.00 -1.10 0.00 0.00 60.65 60.63 1q38 s ILE 56 Cb -0.22 -3.81 0.01 0.00 -1.06 0.00 0.00 42.46 37.37 1q38 s ILE 56 CO 0.08 0.53 -0.15 -0.55 -0.10 0.00 0.00 174.94 174.76 1q38 s SER 57 N -0.87 3.56 -0.16 3.58 0.15 0.49 -0.94 113.70 119.52 1q38 s SER 57 Ca 0.27 -0.54 -0.01 0.00 0.70 0.00 0.00 55.95 56.37 1q38 s SER 57 Cb -0.18 -1.57 -0.01 0.00 -1.71 0.00 0.00 66.02 62.56 1q38 s SER 57 CO 0.16 0.02 -0.13 -0.63 1.20 0.00 0.00 173.24 173.86 1q38 s ILE 58 N 1.21 2.91 0.52 6.45 1.09 -0.98 -1.88 121.20 130.52 1q38 s ILE 58 Ca 0.02 -0.69 0.01 0.00 -1.10 0.00 0.00 60.65 58.90 1q38 s ILE 58 Cb -0.14 -2.25 -0.00 0.00 -1.06 0.00 0.00 42.46 39.01 1q38 s ILE 58 CO -0.07 0.50 0.06 -1.10 -0.10 0.00 0.00 174.94 174.23 1q38 s GLN 59 N 0.80 2.22 0.56 2.79 -0.21 -1.26 -2.38 119.66 122.18 1q38 s GLN 59 Ca -0.05 -2.37 0.33 0.00 0.02 0.00 0.00 55.36 53.29 1q38 s GLN 59 Cb -0.15 -1.60 1.61 0.00 1.00 0.00 0.00 33.01 33.87 1q38 s GLN 59 CO 0.01 -0.42 2.09 -0.56 -2.12 0.00 0.00 175.29 174.29 1q38 h GLN 60 N 1.24 0.00 -0.01 2.91 3.07 -1.96 -1.18 115.11 119.19 1q38 h GLN 60 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.31 1q38 h GLN 60 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.88 1q38 h GLN 60 CO 0.72 0.06 -0.14 0.66 0.09 0.00 0.00 178.83 180.22 1q38 n TYR 61 N -3.32 0.00 -1.35 0.06 4.02 -1.26 -4.92 117.16 110.39 1q38 n TYR 61 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.88 1q38 n TYR 61 Cb 0.24 -0.13 0.00 0.00 -0.02 0.00 0.00 39.34 39.42 1q38 n TYR 61 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1q38 n GLY 62 N 1.28 0.40 3.57 2.72 0.00 -0.44 -5.04 105.19 107.68 1q38 n GLY 62 Ca 0.15 -0.99 -0.29 0.00 0.00 0.00 0.00 46.02 44.88 1q38 n GLY 62 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1q38 s HIS 63 N -2.00 1.21 -0.37 1.61 3.76 -1.26 -4.84 115.29 113.39 1q38 s HIS 63 Ca 0.00 0.83 0.03 0.00 -0.15 0.00 0.00 55.06 55.77 1q38 s HIS 63 Cb 0.00 -3.25 0.16 0.00 1.11 0.00 0.00 32.58 30.60 1q38 s HIS 63 CO 0.00 -3.62 0.38 -0.65 -0.85 0.00 0.00 174.74 170.00 1q38 s GLN 64 N -5.00 0.65 -0.32 1.40 -0.21 -1.20 -4.06 119.66 110.92 1q38 s GLN 64 Ca 0.68 -0.89 -0.12 0.00 0.02 0.00 0.00 55.36 55.05 1q38 s GLN 64 Cb -0.17 -0.73 -0.02 0.00 1.00 0.00 0.00 33.01 33.09 1q38 s GLN 64 CO 0.59 -1.20 0.21 -2.00 -2.12 0.00 0.00 175.29 170.77 1q38 s GLU 65 N 1.39 3.53 -0.01 2.91 2.12 -0.78 -4.82 118.70 123.03 1q38 s GLU 65 Ca 0.17 -0.61 0.04 0.00 0.36 0.00 0.00 54.97 54.93 1q38 s GLU 65 Cb -0.15 -3.73 -0.01 0.00 0.26 0.00 0.00 34.13 30.50 1q38 s GLU 65 CO -0.02 -0.40 -0.12 0.54 -0.54 0.00 0.00 175.26 174.72 1q38 s VAL 66 N 1.70 0.94 -0.04 3.70 0.11 -1.24 0.19 120.40 125.77 1q38 s VAL 66 Ca 0.06 -0.50 -0.00 0.00 -2.93 0.00 0.00 61.98 58.60 1q38 s VAL 66 Cb -0.17 -0.80 0.03 0.00 -1.53 0.00 0.00 36.38 33.91 1q38 s VAL 66 CO 0.10 0.27 0.01 -0.89 -3.33 0.00 0.00 175.10 171.26 1q38 s THR 67 N -0.20 0.17 0.30 5.04 2.01 -0.98 -4.91 115.64 117.07 1q38 s THR 67 Ca 0.03 0.16 -0.20 0.00 0.31 0.00 0.00 61.69 61.99 1q38 s THR 67 Cb -0.05 -0.31 -0.09 0.00 0.01 0.00 0.00 72.50 72.05 1q38 s THR 67 CO -0.00 0.18 0.80 -0.13 -0.69 0.00 0.00 174.62 174.77 1q38 s ARG 68 N 1.46 4.23 -0.11 4.92 0.52 -1.26 -1.39 118.95 127.33 1q38 s ARG 68 Ca -0.04 0.92 -0.23 0.00 -0.52 0.00 0.00 55.73 55.87 1q38 s ARG 68 Cb -0.13 -2.64 0.05 0.00 0.52 0.00 0.00 34.95 32.76 1q38 s ARG 68 CO -0.03 0.25 0.56 -0.59 0.02 0.00 0.00 175.30 175.51 1q38 s PHE 69 N -1.76 -0.54 -0.23 -0.53 -0.12 0.95 -4.97 117.98 110.77 1q38 s PHE 69 Ca 0.50 1.10 -0.06 0.00 -0.05 0.00 0.00 56.93 58.42 1q38 s PHE 69 Cb -0.14 0.27 -0.02 0.00 -0.63 0.00 0.00 43.02 42.50 1q38 s PHE 69 CO 0.19 -0.45 0.02 -0.51 -0.05 0.00 0.00 175.22 174.42 1q38 s ASP 70 N -0.66 4.79 0.07 1.98 1.01 -1.26 -1.70 116.67 120.89 1q38 s ASP 70 Ca -0.07 -0.26 0.06 0.00 0.71 0.00 0.00 52.55 52.98 1q38 s ASP 70 Cb -0.03 -1.84 -0.03 0.00 1.01 0.00 0.00 42.92 42.04 1q38 s ASP 70 CO 0.05 -0.00 -0.15 0.72 0.21 0.00 0.00 175.17 176.00 1q38 s PHE 71 N 1.40 1.32 0.12 4.23 -0.71 -0.91 -4.39 117.98 119.04 1q38 s PHE 71 Ca 0.05 -0.43 -0.04 0.00 -1.04 0.00 0.00 56.93 55.47 1q38 s PHE 71 Cb -0.15 -0.75 -0.03 0.00 -1.21 0.00 0.00 43.02 40.89 1q38 s PHE 71 CO 0.01 0.08 0.10 0.95 -1.34 0.00 0.00 175.22 175.02 1q38 s THR 72 N -1.17 0.12 -0.14 -4.49 -4.23 -1.26 -2.58 115.64 101.89 1q38 s THR 72 Ca 0.00 -1.70 0.17 0.00 -1.18 0.00 0.00 61.69 58.99 1q38 s THR 72 Cb -0.10 -1.82 -0.25 0.00 1.34 0.00 0.00 72.50 71.68 1q38 s THR 72 CO 0.02 -0.56 0.17 1.07 -0.54 0.00 0.00 174.62 174.78 1q38 n THR 73 N -0.07 0.92 -1.91 3.99 5.66 -1.26 -4.61 114.28 117.00 1q38 n THR 73 Ca -0.09 -0.70 0.00 0.00 -3.05 0.00 0.00 64.05 60.22 1q38 n THR 73 Cb 0.63 -0.36 0.00 0.00 -1.55 0.00 0.00 70.33 69.05 1q38 n THR 73 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 1q38 n THR 74 N -2.55 0.00 0.00 1.09 5.66 -1.26 -5.04 114.28 112.17 1q38 n THR 74 Ca -0.23 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.77 1q38 n THR 74 Cb 0.94 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.72 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 0.00 0.00 -3.15 1.09 2.88 -1.26 -4.63 113.62 108.55 1q38 n SER 75 Ca 0.00 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.59 1q38 n SER 75 Cb 0.47 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.93 1q38 n SER 75 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1q38 s THR 76 N 0.00 -0.38 0.00 2.46 -1.32 -1.26 -4.82 115.64 110.32 1q38 s THR 76 Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 1q38 s THR 76 Cb 0.00 -0.65 0.00 0.00 -1.51 0.00 0.00 72.50 70.34 1q38 s THR 76 CO 0.00 0.00 0.00 -1.20 -2.21 0.00 0.00 174.62 171.21 1q38 n SER 77 N 5.30 0.00 -3.54 8.08 7.64 -1.26 -4.75 113.62 125.09 1q38 n SER 77 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.90 1q38 n SER 77 Cb 0.56 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.72 1q38 n SER 77 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1q38 s THR 78 N 0.01 -0.81 -0.76 0.44 -1.32 -1.26 -4.96 115.64 106.97 1q38 s THR 78 Ca 0.00 0.00 -0.06 0.00 -1.21 0.00 0.00 61.69 60.42 1q38 s THR 78 Cb 0.00 -1.00 -0.06 0.00 -1.51 0.00 0.00 72.50 69.93 1q38 s THR 78 CO 0.00 0.00 3.01 -0.81 -2.21 0.00 0.00 174.62 174.61 1q38 n PRO 79 N 5.28 3.03 -1.01 7.08 -0.04 -1.26 -4.49 135.00 143.59 1q38 n PRO 79 Ca -0.11 -2.12 0.00 0.00 -0.04 0.00 0.00 63.50 61.23 1q38 n PRO 79 Cb 0.50 -2.35 0.00 0.00 -0.04 0.00 0.00 33.50 31.61 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 2.17 -0.31 3.80 0.55 0.00 -1.26 -5.12 105.19 105.02 1q38 n GLY 80 Ca 0.57 -0.99 -0.38 0.00 0.00 0.00 0.00 46.02 45.21 1q38 n GLY 80 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1q38 s SER 81 N -4.00 7.17 1.05 1.61 0.01 -1.26 -5.08 113.70 113.21 1q38 s SER 81 Ca 0.00 1.41 -0.13 0.00 1.31 0.00 0.00 55.95 58.55 1q38 s SER 81 Cb 0.00 -2.41 0.17 0.00 0.21 0.00 0.00 66.02 63.99 1q38 s SER 81 CO 0.00 0.22 0.89 0.54 0.41 0.00 0.00 173.24 175.30 1q38 n ARG 82 N 1.53 -1.37 0.00 12.44 1.74 -1.26 -5.00 116.66 124.74 1q38 n ARG 82 Ca -0.08 -1.39 0.08 0.00 -0.77 0.00 0.00 57.85 55.70 1q38 n ARG 82 Cb 0.50 -1.02 -0.07 0.00 -1.02 0.00 0.00 32.46 30.85 1q38 n ARG 82 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1q38 n SER 83 N -3.81 1.06 -4.70 0.55 3.41 -1.26 -4.96 113.62 103.91 1q38 n SER 83 Ca 0.11 -1.03 -0.42 0.00 -0.26 0.00 0.00 58.87 57.27 1q38 n SER 83 Cb 0.41 0.86 -0.03 0.00 -0.26 0.00 0.00 64.21 65.19 1q38 n SER 83 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1q38 s HIS 84 N -2.48 2.78 0.00 7.33 4.02 -1.26 -4.83 115.29 120.86 1q38 s HIS 84 Ca 0.09 0.64 0.00 0.00 1.02 0.00 0.00 55.06 56.80 1q38 s HIS 84 Cb 0.13 -3.81 0.00 0.00 -1.02 0.00 0.00 32.58 27.89 1q38 s HIS 84 CO 0.64 -3.06 0.00 0.72 1.02 0.00 0.00 174.74 174.05 1q38 n HIS 85 N 5.06 -0.07 0.00 1.40 8.25 -1.26 -5.05 115.22 123.56 1q38 n HIS 85 Ca 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.60 1q38 n HIS 85 Cb 0.42 0.08 0.00 0.00 1.12 0.00 0.00 29.99 31.60 1q38 n HIS 85 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1q38 n HIS 86 N -1.23 0.00 -1.24 4.41 -0.00 -1.26 -4.66 115.22 111.23 1q38 n HIS 86 Ca 0.00 0.00 -0.08 0.00 0.46 0.00 0.00 57.72 58.10 1q38 n HIS 86 Cb 0.00 0.00 -0.04 0.00 -0.12 0.00 0.00 29.99 29.83 1q38 n HIS 86 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 1q38 n HIS 87 N 0.00 0.00 -4.32 1.57 -0.00 -1.26 -4.96 115.22 106.25 1q38 n HIS 87 Ca 0.00 0.00 -0.14 0.00 0.46 0.00 0.00 57.72 58.04 1q38 n HIS 87 Cb 0.00 -2.03 -0.03 0.00 -0.12 0.00 0.00 29.99 27.81 1q38 n HIS 87 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1q38 n HIS 88 N -2.50 0.40 1.04 1.57 8.25 -1.26 -5.32 115.22 117.40 1q38 n HIS 88 Ca -0.08 -1.19 0.12 0.00 -0.26 0.00 0.00 57.72 56.30 1q38 n HIS 88 Cb 0.41 -0.11 0.14 0.00 1.12 0.00 0.00 29.99 31.54 1q38 n HIS 88 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56