#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 2.03 0.21 0.03 1.81 -1.26 -5.08 118.95 116.69 1q38 s ARG 2 Ca 0.00 -1.96 0.00 0.00 -1.72 0.00 0.00 55.73 52.05 1q38 s ARG 2 Cb 0.00 -3.56 -0.00 0.00 -0.45 0.00 0.00 34.95 30.94 1q38 s ARG 2 CO 0.00 -1.08 0.01 0.41 -0.68 0.00 0.00 175.30 173.96 1q38 n GLY 3 N 4.34 3.91 0.19 -3.53 0.00 -1.26 -5.11 105.19 103.73 1q38 n GLY 3 Ca 0.00 -2.25 0.00 0.00 0.00 0.00 0.00 46.02 43.78 1q38 n GLY 3 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1q38 n SER 4 N -1.21 0.00 -3.22 1.61 2.88 -1.26 -5.10 113.62 107.32 1q38 n SER 4 Ca -0.08 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.32 1q38 n SER 4 Cb 0.27 0.02 0.01 0.00 -0.75 0.00 0.00 64.21 63.77 1q38 n SER 4 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1q38 n ASN 5 N -1.14 -6.87 -4.70 -3.46 3.02 -1.26 -4.98 115.26 95.87 1q38 n ASN 5 Ca 0.00 -0.10 -0.35 0.00 -0.03 0.00 0.00 54.58 54.10 1q38 n ASN 5 Cb 0.00 -4.00 -0.09 0.00 -0.61 0.00 0.00 39.78 35.08 1q38 n ASN 5 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1q38 s ALA 6 N -2.64 3.58 0.78 5.41 0.00 -1.26 -5.11 121.76 122.52 1q38 s ALA 6 Ca 0.13 -0.71 -0.04 0.00 0.00 0.00 0.00 51.96 51.34 1q38 s ALA 6 Cb -0.03 -2.04 0.14 0.00 0.00 0.00 0.00 23.12 21.19 1q38 s ALA 6 CO 0.81 0.21 0.91 -0.35 0.00 0.00 0.00 175.76 177.34 1q38 n PRO 7 N 3.40 -0.33 -2.75 0.00 -0.04 -1.26 -4.95 135.00 129.06 1q38 n PRO 7 Ca -0.17 -2.08 -0.42 0.00 -0.04 0.00 0.00 63.50 60.80 1q38 n PRO 7 Cb 0.52 -0.73 -0.03 0.00 -0.04 0.00 0.00 33.50 33.22 1q38 n PRO 7 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1q38 s GLN 8 N -4.88 4.49 0.27 0.54 -0.21 -1.26 -4.95 119.66 113.66 1q38 s GLN 8 Ca 0.57 1.32 -0.03 0.00 0.02 0.00 0.00 55.36 57.25 1q38 s GLN 8 Cb -0.03 -3.49 0.36 0.00 1.00 0.00 0.00 33.01 30.86 1q38 s GLN 8 CO 0.39 -0.14 1.87 -1.00 -2.12 0.00 0.00 175.29 174.29 1q38 h PRO 9 N 6.92 1.01 0.00 2.91 0.13 -2.07 -3.45 132.00 137.45 1q38 h PRO 9 Ca -0.37 -0.14 -0.37 0.00 -0.87 0.00 0.00 66.00 64.24 1q38 h PRO 9 Cb 1.19 -0.18 -0.08 0.00 0.13 0.00 0.00 31.00 32.05 1q38 h PRO 9 CO 0.79 0.79 -0.30 0.43 -0.23 0.00 0.00 178.00 179.47 1q38 n SER 10 N -4.33 1.46 -4.36 1.44 7.64 -1.26 -5.16 113.62 109.06 1q38 n SER 10 Ca 0.07 -2.41 -0.31 0.00 1.01 0.00 0.00 58.87 57.23 1q38 n SER 10 Cb 0.14 0.59 -0.15 0.00 -1.01 0.00 0.00 64.21 63.78 1q38 n SER 10 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1q38 s HIS 11 N -2.47 2.39 0.53 1.43 3.76 -1.26 -5.07 115.29 114.60 1q38 s HIS 11 Ca 0.11 -0.38 -0.16 0.00 -0.15 0.00 0.00 55.06 54.48 1q38 s HIS 11 Cb 0.01 -1.47 -0.07 0.00 1.11 0.00 0.00 32.58 32.15 1q38 s HIS 11 CO 0.08 0.08 1.00 -1.50 -0.85 0.00 0.00 174.74 173.54 1q38 s ILE 12 N -0.73 4.52 0.16 0.60 2.07 -1.26 -4.92 121.20 121.64 1q38 s ILE 12 Ca 0.11 1.15 -0.22 0.00 -1.41 0.00 0.00 60.65 60.29 1q38 s ILE 12 Cb -0.10 -3.72 0.06 0.00 0.13 0.00 0.00 42.46 38.82 1q38 s ILE 12 CO 0.01 -0.74 1.62 0.28 -1.91 0.00 0.00 174.94 174.19 1q38 h SER 13 N 0.72 -0.87 -4.48 4.50 0.02 -1.92 -2.14 113.55 109.37 1q38 h SER 13 Ca -0.46 0.16 -0.06 0.00 -0.84 0.00 0.00 61.79 60.59 1q38 h SER 13 Cb 1.19 0.42 -0.20 0.00 0.14 0.00 0.00 62.40 63.94 1q38 h SER 13 CO 0.61 -0.29 0.11 -1.59 -1.14 0.00 0.00 176.83 174.54 1q38 s LYS 14 N -6.06 0.90 -0.11 3.45 -2.85 -1.08 -3.92 119.74 110.06 1q38 s LYS 14 Ca -0.15 0.58 -0.04 0.00 -1.00 0.00 0.00 55.97 55.37 1q38 s LYS 14 Cb 0.13 0.43 -0.04 0.00 -2.06 0.00 0.00 37.83 36.30 1q38 s LYS 14 CO 0.68 -0.20 0.05 0.71 0.10 0.00 0.00 175.35 176.69 1q38 s TYR 15 N -0.41 3.28 -0.01 1.78 2.02 0.16 -1.76 117.35 122.42 1q38 s TYR 15 Ca -0.06 0.23 0.05 0.00 -0.37 0.00 0.00 57.07 56.93 1q38 s TYR 15 Cb -0.03 -1.89 -0.03 0.00 -0.40 0.00 0.00 41.96 39.62 1q38 s TYR 15 CO 0.05 0.46 -0.14 0.42 -1.57 0.00 0.00 175.55 174.77 1q38 s ILE 16 N -0.64 3.07 -0.15 2.71 -1.09 0.16 -0.31 121.20 124.95 1q38 s ILE 16 Ca 0.11 -0.90 -0.01 0.00 -2.23 0.00 0.00 60.65 57.62 1q38 s ILE 16 Cb -0.12 -2.26 0.04 0.00 -1.58 0.00 0.00 42.46 38.54 1q38 s ILE 16 CO 0.02 0.46 -0.04 -0.22 -1.23 0.00 0.00 174.94 173.93 1q38 s LEU 17 N -1.12 1.39 -0.11 2.97 0.20 0.71 -1.04 118.68 121.68 1q38 s LEU 17 Ca 0.14 -0.57 0.03 0.00 0.69 0.00 0.00 54.13 54.42 1q38 s LEU 17 Cb -0.11 -0.81 -0.00 0.00 -0.43 0.00 0.00 46.19 44.84 1q38 s LEU 17 CO 0.04 -0.19 -0.22 -0.13 -0.29 0.00 0.00 176.35 175.56 1q38 s ARG 18 N 1.71 3.11 0.10 1.98 0.52 -0.91 -1.50 118.95 123.95 1q38 s ARG 18 Ca 0.02 -0.85 -0.15 0.00 -0.52 0.00 0.00 55.73 54.23 1q38 s ARG 18 Cb -0.15 -2.36 0.03 0.00 0.52 0.00 0.00 34.95 32.99 1q38 s ARG 18 CO -0.07 0.18 0.37 1.67 0.02 0.00 0.00 175.30 177.46 1q38 s TRP 19 N 0.36 -0.17 0.10 -0.53 -2.14 -1.04 -0.76 118.94 114.75 1q38 s TRP 19 Ca -0.17 -0.11 -0.25 0.00 2.66 0.00 0.00 56.10 58.24 1q38 s TRP 19 Cb -0.18 0.21 0.07 0.00 -3.10 0.00 0.00 33.47 30.47 1q38 s TRP 19 CO 0.08 -0.65 0.60 -0.98 -2.66 0.00 0.00 176.95 173.34 1q38 s ARG 20 N -3.52 1.19 -0.15 3.25 1.70 -0.83 -1.19 118.95 119.40 1q38 s ARG 20 Ca 0.01 -0.28 -0.30 0.00 -0.47 0.00 0.00 55.73 54.70 1q38 s ARG 20 Cb 0.02 0.55 -0.07 0.00 -0.57 0.00 0.00 34.95 34.88 1q38 s ARG 20 CO -0.10 -0.48 2.13 -0.35 -1.08 0.00 0.00 175.30 175.43 1q38 n PRO 21 N 0.02 2.14 -0.12 3.89 -0.04 -1.26 -2.39 135.00 137.24 1q38 n PRO 21 Ca -0.18 0.67 -0.10 0.00 -0.04 0.00 0.00 63.50 63.85 1q38 n PRO 21 Cb 0.63 -3.07 0.03 0.00 -0.04 0.00 0.00 33.50 31.05 1q38 n PRO 21 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1q38 h LYS 22 N 13.26 0.88 0.06 0.54 3.64 -1.75 -3.33 116.57 129.87 1q38 h LYS 22 Ca -0.43 -0.40 -0.37 0.00 -1.27 0.00 0.00 60.65 58.18 1q38 h LYS 22 Cb 1.25 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 33.01 1q38 h LYS 22 CO 0.96 1.04 -2.20 0.09 -2.27 0.00 0.00 179.45 177.08 1q38 n ASN 23 N -4.09 2.04 -4.91 4.20 4.13 -1.23 -4.97 115.26 110.43 1q38 n ASN 23 Ca -0.01 0.08 -0.27 0.00 1.68 0.00 0.00 54.58 56.07 1q38 n ASN 23 Cb 0.48 -0.67 0.01 0.00 -1.54 0.00 0.00 39.78 38.05 1q38 n ASN 23 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1q38 s SER 24 N -6.84 6.02 0.20 6.41 0.01 -1.25 -5.08 113.70 113.16 1q38 s SER 24 Ca -0.29 0.83 -0.10 0.00 1.31 0.00 0.00 55.95 57.70 1q38 s SER 24 Cb 0.08 -2.03 -0.07 0.00 0.21 0.00 0.00 66.02 64.21 1q38 s SER 24 CO 0.67 -0.75 0.53 0.54 0.41 0.00 0.00 173.24 174.64 1q38 s VAL 25 N -2.82 4.94 -0.14 3.43 0.11 -1.26 -4.46 120.40 120.19 1q38 s VAL 25 Ca 0.50 0.52 0.00 0.00 -2.93 0.00 0.00 61.98 60.07 1q38 s VAL 25 Cb -0.10 -3.64 0.00 0.00 -1.53 0.00 0.00 36.38 31.10 1q38 s VAL 25 CO 0.45 0.03 0.00 0.61 -3.33 0.00 0.00 175.10 172.86 1q38 n GLY 26 N 0.15 -0.79 3.17 6.54 0.00 -1.26 -4.93 105.19 108.06 1q38 n GLY 26 Ca -0.02 -0.18 -0.10 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.96 1.01 0.99 1.61 3.00 -1.26 -5.02 118.95 118.33 1q38 s ARG 27 Ca 0.00 -1.50 -0.15 0.00 0.00 0.00 0.00 55.73 54.08 1q38 s ARG 27 Cb 0.00 0.24 0.19 0.00 0.00 0.00 0.00 34.95 35.38 1q38 s ARG 27 CO 0.00 -0.30 1.19 -1.58 0.00 0.00 0.00 175.30 174.62 1q38 s TRP 28 N -4.07 1.73 -0.06 -0.53 0.52 -1.26 -4.56 118.94 110.70 1q38 s TRP 28 Ca 0.29 0.58 -0.07 0.00 0.02 0.00 0.00 56.10 56.92 1q38 s TRP 28 Cb 0.07 -3.66 0.02 0.00 -1.15 0.00 0.00 33.47 28.75 1q38 s TRP 28 CO 0.05 -2.80 0.19 0.15 0.02 0.00 0.00 176.95 174.55 1q38 s LYS 29 N -5.53 0.26 -0.06 4.98 1.02 -0.33 -4.92 119.74 115.15 1q38 s LYS 29 Ca 0.69 0.19 0.06 0.00 0.02 0.00 0.00 55.97 56.93 1q38 s LYS 29 Cb -0.10 0.12 -0.01 0.00 -0.52 0.00 0.00 37.83 37.33 1q38 s LYS 29 CO 0.54 -0.04 -0.25 -1.21 -0.92 0.00 0.00 175.35 173.47 1q38 s GLU 30 N -0.07 2.59 -0.03 1.68 8.01 -1.25 -2.51 118.70 127.12 1q38 s GLU 30 Ca -0.02 -0.90 -0.01 0.00 0.01 0.00 0.00 54.97 54.05 1q38 s GLU 30 Cb -0.02 -2.17 0.03 0.00 -4.31 0.00 0.00 34.13 27.66 1q38 s GLU 30 CO 0.00 0.37 0.05 0.00 0.01 0.00 0.00 175.26 175.70 1q38 s ALA 31 N -0.13 0.05 -0.09 5.21 0.00 -0.56 -4.94 121.76 121.29 1q38 s ALA 31 Ca -0.05 0.35 0.01 0.00 0.00 0.00 0.00 51.96 52.27 1q38 s ALA 31 Cb -0.14 -0.35 -0.02 0.00 0.00 0.00 0.00 23.12 22.61 1q38 s ALA 31 CO 0.04 -0.18 -0.10 0.99 0.00 0.00 0.00 175.76 176.50 1q38 s THR 32 N 1.28 3.35 -0.22 0.00 2.01 -1.25 -0.21 115.64 120.60 1q38 s THR 32 Ca -0.07 -0.59 -0.04 0.00 0.31 0.00 0.00 61.69 61.31 1q38 s THR 32 Cb -0.13 -2.38 0.07 0.00 0.01 0.00 0.00 72.50 70.08 1q38 s THR 32 CO -0.03 0.56 0.08 -0.63 -0.69 0.00 0.00 174.62 173.91 1q38 s ILE 33 N -0.29 0.24 -0.20 1.82 1.01 0.57 -4.92 121.20 119.44 1q38 s ILE 33 Ca 0.03 -0.57 -0.29 0.00 0.00 0.00 0.00 60.65 59.82 1q38 s ILE 33 Cb -0.13 -0.94 -0.06 0.00 0.01 0.00 0.00 42.46 41.34 1q38 s ILE 33 CO 0.03 -0.40 2.18 -2.65 0.00 0.00 0.00 174.94 174.10 1q38 n PRO 34 N 5.14 1.99 0.00 2.79 -0.02 -1.26 -0.67 135.00 142.97 1q38 n PRO 34 Ca -0.07 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 1q38 n PRO 34 Cb 0.46 -3.11 0.00 0.00 -0.02 0.00 0.00 33.50 30.83 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 5.66 0.84 3.14 -1.23 0.00 -0.81 -4.04 105.19 108.76 1q38 n GLY 35 Ca 0.30 0.55 0.02 0.00 0.00 0.00 0.00 46.02 46.89 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 -1.53 -0.12 1.61 2.46 -1.26 -4.78 115.29 111.67 1q38 s HIS 36 Ca 0.00 0.47 0.15 0.00 0.47 0.00 0.00 55.06 56.14 1q38 s HIS 36 Cb 0.00 0.27 -0.02 0.00 -0.13 0.00 0.00 32.58 32.71 1q38 s HIS 36 CO 0.00 -0.99 1.26 1.37 -2.47 0.00 0.00 174.74 173.91 1q38 h LEU 37 N 7.11 0.00 0.00 8.88 -0.00 -1.93 -3.49 115.31 125.87 1q38 h LEU 37 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.89 1q38 h LEU 37 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.85 1q38 h LEU 37 CO 0.08 0.58 0.00 -0.46 -0.00 0.00 0.00 178.44 178.64 1q38 n ASN 38 N -3.15 0.00 -4.58 0.17 6.94 -1.26 -5.10 115.26 108.28 1q38 n ASN 38 Ca -0.01 0.00 -0.42 0.00 -0.02 0.00 0.00 54.58 54.13 1q38 n ASN 38 Cb 0.79 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 38.18 1q38 n ASN 38 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1q38 s SER 39 N -4.00 6.18 -0.31 0.53 1.04 -1.26 -4.98 113.70 110.90 1q38 s SER 39 Ca 0.00 0.34 -0.07 0.00 0.48 0.00 0.00 55.95 56.70 1q38 s SER 39 Cb 0.00 -2.55 0.02 0.00 0.10 0.00 0.00 66.02 63.60 1q38 s SER 39 CO 0.00 -1.65 0.09 -0.47 0.98 0.00 0.00 173.24 172.19 1q38 s TYR 40 N 5.88 3.19 -0.07 5.02 6.14 -1.26 -5.08 117.35 131.16 1q38 s TYR 40 Ca 0.53 -1.16 0.05 0.00 0.64 0.00 0.00 57.07 57.13 1q38 s TYR 40 Cb -0.11 -2.27 -0.00 0.00 0.42 0.00 0.00 41.96 40.00 1q38 s TYR 40 CO 0.26 -0.64 -0.22 -0.08 0.64 0.00 0.00 175.55 175.51 1q38 s THR 41 N 1.46 1.89 -0.16 4.34 -1.32 -1.26 -5.11 115.64 115.48 1q38 s THR 41 Ca 0.01 -0.95 -0.20 0.00 -1.21 0.00 0.00 61.69 59.34 1q38 s THR 41 Cb -0.18 -1.63 -0.03 0.00 -1.51 0.00 0.00 72.50 69.15 1q38 s THR 41 CO 0.03 0.53 0.57 -0.63 -2.21 0.00 0.00 174.62 172.90 1q38 s ILE 42 N 0.15 5.09 0.31 5.08 1.01 -1.26 -5.07 121.20 126.51 1q38 s ILE 42 Ca -0.11 1.10 0.07 0.00 0.00 0.00 0.00 60.65 61.70 1q38 s ILE 42 Cb -0.15 -3.90 -0.06 0.00 0.01 0.00 0.00 42.46 38.36 1q38 s ILE 42 CO 0.06 0.20 -0.04 -0.75 0.00 0.00 0.00 174.94 174.40 1q38 s LYS 43 N 1.38 1.64 0.00 2.79 2.20 -1.26 -4.88 119.74 121.61 1q38 s LYS 43 Ca 0.28 -1.86 0.00 0.00 -0.36 0.00 0.00 55.97 54.03 1q38 s LYS 43 Cb -0.16 -1.25 0.00 0.00 -1.51 0.00 0.00 37.83 34.91 1q38 s LYS 43 CO 0.11 0.02 0.00 0.41 -0.36 0.00 0.00 175.35 175.53 1q38 n GLY 44 N -0.66 1.19 3.76 5.54 0.00 -1.26 -5.13 105.19 108.63 1q38 n GLY 44 Ca -0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 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 3.00 -0.15 0.99 1.43 -1.26 -5.04 118.68 117.66 1q38 s LEU 45 Ca 0.00 1.82 -0.06 0.00 -1.03 0.00 0.00 54.13 54.86 1q38 s LEU 45 Cb 0.00 -4.50 -0.04 0.00 0.03 0.00 0.00 46.19 41.68 1q38 s LEU 45 CO 0.00 -2.08 0.04 -0.75 0.23 0.00 0.00 176.35 173.80 1q38 s LYS 46 N -4.90 3.64 0.18 1.70 2.20 -1.26 -4.60 119.74 116.70 1q38 s LYS 46 Ca 0.61 -0.36 -0.33 0.00 -0.36 0.00 0.00 55.97 55.53 1q38 s LYS 46 Cb -0.17 -3.07 -0.15 0.00 -1.51 0.00 0.00 37.83 32.93 1q38 s LYS 46 CO 0.56 0.43 1.36 -2.30 -0.36 0.00 0.00 175.35 175.04 1q38 n PRO 47 N 3.03 1.66 0.00 4.03 -0.02 -1.26 -1.65 135.00 140.79 1q38 n PRO 47 Ca -0.18 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 1q38 n PRO 47 Cb 0.53 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 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 2.41 3.31 3.61 -1.23 0.00 -1.26 -5.04 105.19 106.98 1q38 n GLY 48 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.93 5.19 0.15 1.61 1.01 -0.66 -5.07 120.40 119.70 1q38 s VAL 49 Ca 0.00 0.53 -0.23 0.00 0.00 0.00 0.00 61.98 62.28 1q38 s VAL 49 Cb 0.00 -3.68 -0.08 0.00 0.00 0.00 0.00 36.38 32.62 1q38 s VAL 49 CO 0.00 0.17 0.71 -0.69 0.00 0.00 0.00 175.10 175.29 1q38 s VAL 50 N 2.00 4.50 0.26 2.92 1.01 -1.26 -4.68 120.40 125.16 1q38 s VAL 50 Ca 0.14 1.51 0.09 0.00 0.00 0.00 0.00 61.98 63.72 1q38 s VAL 50 Cb -0.16 -4.03 -0.05 0.00 0.00 0.00 0.00 36.38 32.14 1q38 s VAL 50 CO 0.10 0.49 -0.14 -0.31 0.00 0.00 0.00 175.10 175.23 1q38 s TYR 51 N -1.19 2.06 -0.05 5.22 1.51 -0.89 -2.19 117.35 121.83 1q38 s TYR 51 Ca 0.35 -0.49 0.02 0.00 -1.01 0.00 0.00 57.07 55.94 1q38 s TYR 51 Cb -0.21 -1.00 0.01 0.00 -0.11 0.00 0.00 41.96 40.64 1q38 s TYR 51 CO 0.23 0.51 -0.11 -1.83 -1.11 0.00 0.00 175.55 173.24 1q38 s GLU 52 N -3.60 1.43 0.04 -0.62 -1.05 -1.01 -2.46 118.70 111.43 1q38 s GLU 52 Ca 0.28 -0.38 -0.08 0.00 -0.15 0.00 0.00 54.97 54.64 1q38 s GLU 52 Cb -0.01 -1.24 -0.00 0.00 -0.44 0.00 0.00 34.13 32.44 1q38 s GLU 52 CO 0.12 0.07 0.16 0.20 0.95 0.00 0.00 175.26 176.76 1q38 s GLY 53 N 0.48 0.09 -0.04 -3.83 0.00 -0.78 -1.97 107.32 101.27 1q38 s GLY 53 Ca -0.10 -0.41 0.02 0.00 0.00 0.00 0.00 44.72 44.23 1q38 s GLY 53 CO 0.02 -0.58 -0.07 1.20 0.00 0.00 0.00 173.10 173.68 1q38 s GLN 54 N -2.73 1.01 -0.46 2.90 -0.21 0.06 -1.41 119.66 118.81 1q38 s GLN 54 Ca -0.04 -0.21 -0.16 0.00 0.02 0.00 0.00 55.36 54.97 1q38 s GLN 54 Cb -0.00 -0.94 0.06 0.00 1.00 0.00 0.00 33.01 33.13 1q38 s GLN 54 CO -0.05 -0.01 0.38 -1.17 -2.12 0.00 0.00 175.29 172.33 1q38 s LEU 55 N 0.65 5.46 0.00 2.90 2.96 -0.89 -2.15 118.68 127.62 1q38 s LEU 55 Ca -0.10 -1.19 -0.16 0.00 -0.22 0.00 0.00 54.13 52.45 1q38 s LEU 55 Cb -0.13 -2.19 -0.06 0.00 0.50 0.00 0.00 46.19 44.31 1q38 s LEU 55 CO 0.01 -0.61 0.46 -0.63 -1.32 0.00 0.00 176.35 174.26 1q38 s ILE 56 N 1.70 4.98 -0.28 6.68 1.09 -0.20 -2.12 121.20 133.04 1q38 s ILE 56 Ca 0.05 0.95 -0.05 0.00 -1.10 0.00 0.00 60.65 60.50 1q38 s ILE 56 Cb -0.23 -3.77 0.01 0.00 -1.06 0.00 0.00 42.46 37.41 1q38 s ILE 56 CO 0.08 0.53 0.04 -0.44 -0.10 0.00 0.00 174.94 175.05 1q38 s SER 57 N -0.82 4.88 -0.36 3.58 0.01 0.66 0.38 113.70 122.02 1q38 s SER 57 Ca 0.25 -0.75 -0.17 0.00 1.31 0.00 0.00 55.95 56.59 1q38 s SER 57 Cb -0.17 -1.82 -0.00 0.00 0.21 0.00 0.00 66.02 64.24 1q38 s SER 57 CO 0.14 -0.17 0.44 -0.63 0.41 0.00 0.00 173.24 173.44 1q38 s ILE 58 N 1.45 5.08 0.41 1.44 1.01 -0.72 -0.60 121.20 129.27 1q38 s ILE 58 Ca 0.02 0.10 0.04 0.00 0.00 0.00 0.00 60.65 60.81 1q38 s ILE 58 Cb -0.17 -3.93 0.07 0.00 0.01 0.00 0.00 42.46 38.45 1q38 s ILE 58 CO 0.00 -0.21 0.57 0.00 0.00 0.00 0.00 174.94 175.30 1q38 n GLN 59 N 5.59 0.51 0.31 2.79 1.13 -0.54 -2.65 117.38 124.52 1q38 n GLN 59 Ca -0.07 -1.92 0.19 0.00 -1.94 0.00 0.00 57.00 53.26 1q38 n GLN 59 Cb 0.49 -0.26 1.01 0.00 0.11 0.00 0.00 30.24 31.58 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 0.00 -0.61 -1.09 3.07 -2.00 0.61 115.11 115.09 1q38 h GLN 60 Ca -0.19 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.55 1q38 h GLN 60 Cb 0.80 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.36 1q38 h GLN 60 CO 0.24 0.02 0.00 0.66 0.09 0.00 0.00 178.83 179.84 1q38 n TYR 61 N -3.34 1.06 0.00 0.06 4.01 -1.26 -5.07 117.16 112.62 1q38 n TYR 61 Ca -0.02 -0.56 0.00 0.00 -0.16 0.00 0.00 57.90 57.16 1q38 n TYR 61 Cb 0.13 -0.10 0.00 0.00 -0.31 0.00 0.00 39.34 39.06 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 1.16 1.06 3.59 2.72 0.00 0.21 -5.00 105.19 108.94 1q38 n GLY 62 Ca 0.22 -2.05 -0.39 0.00 0.00 0.00 0.00 46.02 43.81 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 1.24 0.70 -0.98 1.61 1.44 -1.26 -1.47 115.22 116.50 1q38 n HIS 63 Ca 0.00 0.47 0.00 0.00 -2.01 0.00 0.00 57.72 56.18 1q38 n HIS 63 Cb 0.00 -2.14 0.00 0.00 0.12 0.00 0.00 29.99 27.97 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 -0.52 0.00 -3.80 -1.40 10.64 0.23 -4.81 117.38 117.72 1q38 n GLN 64 Ca 0.12 0.00 -0.27 0.00 -1.83 0.00 0.00 57.00 55.02 1q38 n GLN 64 Cb 0.45 0.00 -0.17 0.00 -0.86 0.00 0.00 30.24 29.66 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 0.92 0.00 2.61 2.12 -1.15 -4.96 118.70 118.24 1q38 s GLU 65 Ca 0.00 -0.40 0.01 0.00 0.36 0.00 0.00 54.97 54.94 1q38 s GLU 65 Cb 0.00 -1.94 -0.01 0.00 0.26 0.00 0.00 34.13 32.45 1q38 s GLU 65 CO 0.00 -0.53 -0.04 0.54 -0.54 0.00 0.00 175.26 174.69 1q38 s VAL 66 N 1.78 0.32 -0.09 3.70 0.11 -1.25 0.24 120.40 125.22 1q38 s VAL 66 Ca 0.00 -0.25 -0.00 0.00 -2.93 0.00 0.00 61.98 58.79 1q38 s VAL 66 Cb -0.16 -0.29 0.02 0.00 -1.53 0.00 0.00 36.38 34.42 1q38 s VAL 66 CO -0.07 0.04 -0.05 -0.89 -3.33 0.00 0.00 175.10 170.80 1q38 s THR 67 N -0.22 0.74 0.19 5.04 2.01 -0.90 -4.95 115.64 117.55 1q38 s THR 67 Ca 0.00 -0.14 -0.24 0.00 0.31 0.00 0.00 61.69 61.63 1q38 s THR 67 Cb -0.02 -0.80 -0.08 0.00 0.01 0.00 0.00 72.50 71.61 1q38 s THR 67 CO -0.00 0.31 0.77 -0.13 -0.69 0.00 0.00 174.62 174.88 1q38 s ARG 68 N 1.61 4.48 0.11 4.92 3.00 -1.26 -2.08 118.95 129.72 1q38 s ARG 68 Ca 0.01 1.09 -0.20 0.00 0.00 0.00 0.00 55.73 56.63 1q38 s ARG 68 Cb -0.13 -3.13 0.05 0.00 0.00 0.00 0.00 34.95 31.74 1q38 s ARG 68 CO -0.05 0.51 0.49 -0.59 0.00 0.00 0.00 175.30 175.65 1q38 s PHE 69 N -1.28 -0.36 -0.13 -0.53 -0.12 -0.50 -5.02 117.98 110.05 1q38 s PHE 69 Ca 0.39 0.19 0.01 0.00 -0.05 0.00 0.00 56.93 57.46 1q38 s PHE 69 Cb -0.21 0.36 -0.01 0.00 -0.63 0.00 0.00 43.02 42.53 1q38 s PHE 69 CO 0.25 -0.72 -0.15 -0.51 -0.05 0.00 0.00 175.22 174.04 1q38 s ASP 70 N -2.52 3.84 0.17 1.98 1.11 -1.26 -1.86 116.67 118.12 1q38 s ASP 70 Ca -0.00 -0.38 -0.14 0.00 0.18 0.00 0.00 52.55 52.21 1q38 s ASP 70 Cb 0.00 -1.58 0.01 0.00 1.07 0.00 0.00 42.92 42.43 1q38 s ASP 70 CO -0.09 0.16 0.40 0.72 1.18 0.00 0.00 175.17 177.54 1q38 s PHE 71 N 0.40 0.06 0.16 4.23 -0.71 -1.03 -4.69 117.98 116.40 1q38 s PHE 71 Ca -0.12 -0.41 -0.02 0.00 -1.04 0.00 0.00 56.93 55.34 1q38 s PHE 71 Cb -0.16 0.19 -0.04 0.00 -1.21 0.00 0.00 43.02 41.80 1q38 s PHE 71 CO 0.06 -0.79 0.12 0.95 -1.34 0.00 0.00 175.22 174.22 1q38 s THR 72 N -3.89 0.06 0.14 -4.49 -4.23 -1.26 -2.09 115.64 99.88 1q38 s THR 72 Ca 0.10 -1.87 -0.32 0.00 -1.18 0.00 0.00 61.69 58.43 1q38 s THR 72 Cb 0.01 -2.18 -0.09 0.00 1.34 0.00 0.00 72.50 71.58 1q38 s THR 72 CO -0.04 -0.27 1.54 0.00 -0.54 0.00 0.00 174.62 175.31 1q38 h THR 73 N 2.73 0.00 -0.15 3.99 1.03 -1.83 -3.42 112.91 115.26 1q38 h THR 73 Ca -0.35 0.00 0.08 0.00 -0.01 0.00 0.00 66.41 66.14 1q38 h THR 73 Cb 1.22 0.00 -0.16 0.00 -1.07 0.00 0.00 68.15 68.14 1q38 h THR 73 CO 0.55 0.00 -0.09 0.28 -0.01 0.00 0.00 175.52 176.25 1q38 s THR 74 N -5.55 -0.15 0.01 0.00 -1.32 -1.26 -5.00 115.64 102.37 1q38 s THR 74 Ca -0.13 -0.07 0.00 0.00 -1.21 0.00 0.00 61.69 60.28 1q38 s THR 74 Cb 0.10 0.00 0.00 0.00 -1.51 0.00 0.00 72.50 71.09 1q38 s THR 74 CO 0.61 0.00 0.00 -0.24 -2.21 0.00 0.00 174.62 172.78 1q38 n SER 75 N 3.11 -0.10 -0.98 8.08 2.88 -1.26 -4.87 113.62 120.48 1q38 n SER 75 Ca 0.08 0.02 0.00 0.00 -1.33 0.00 0.00 58.87 57.64 1q38 n SER 75 Cb 0.65 0.56 0.00 0.00 -0.75 0.00 0.00 64.21 64.66 1q38 n SER 75 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1q38 n THR 76 N -2.50 0.00 -1.08 2.46 5.66 -1.26 -5.06 114.28 112.50 1q38 n THR 76 Ca 0.00 0.00 0.05 0.00 -3.05 0.00 0.00 64.05 61.05 1q38 n THR 76 Cb 0.00 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 68.75 1q38 n THR 76 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1q38 n SER 77 N -0.98 -5.83 -3.61 1.09 2.88 -1.26 -4.53 113.62 101.38 1q38 n SER 77 Ca 0.00 1.22 -0.11 0.00 -1.33 0.00 0.00 58.87 58.65 1q38 n SER 77 Cb 0.00 -3.40 -0.06 0.00 -0.75 0.00 0.00 64.21 60.00 1q38 n SER 77 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1q38 s THR 78 N -4.59 0.00 -1.06 2.46 -4.23 -1.26 -5.02 115.64 101.93 1q38 s THR 78 Ca 0.00 0.00 -0.22 0.00 -1.18 0.00 0.00 61.69 60.29 1q38 s THR 78 Cb 0.00 -1.00 0.01 0.00 1.34 0.00 0.00 72.50 72.85 1q38 s THR 78 CO 0.00 0.00 1.68 -2.16 -0.54 0.00 0.00 174.62 173.60 1q38 s PRO 79 N -0.35 3.29 0.00 3.99 0.04 -1.26 -4.89 135.00 135.82 1q38 s PRO 79 Ca 0.00 -1.09 0.00 0.00 0.04 0.00 0.00 61.00 59.95 1q38 s PRO 79 Cb -0.03 -5.31 0.00 0.00 0.04 0.00 0.00 34.50 29.20 1q38 s PRO 79 CO -0.02 -2.71 0.00 0.41 0.04 0.00 0.00 177.00 174.72 1q38 n GLY 80 N 6.47 0.50 2.84 0.56 0.00 -1.26 -5.09 105.19 109.21 1q38 n GLY 80 Ca 0.39 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.13 1q38 n GLY 80 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1q38 s SER 81 N -1.00 3.01 0.00 1.61 0.15 -1.26 -5.02 113.70 111.18 1q38 s SER 81 Ca 0.00 -0.79 0.00 0.00 0.70 0.00 0.00 55.95 55.86 1q38 s SER 81 Cb 0.00 -0.84 0.00 0.00 -1.71 0.00 0.00 66.02 63.47 1q38 s SER 81 CO 0.00 -0.24 0.00 -1.14 1.20 0.00 0.00 173.24 173.06 1q38 n ARG 82 N 4.90 0.00 0.00 5.44 0.63 -1.26 -4.86 116.66 121.51 1q38 n ARG 82 Ca -0.11 0.04 0.02 0.00 -0.92 0.00 0.00 57.85 56.88 1q38 n ARG 82 Cb 0.47 -0.35 -0.01 0.00 0.45 0.00 0.00 32.46 33.01 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 -1.98 0.42 -1.20 6.15 3.41 -1.26 -5.12 113.62 114.03 1q38 n SER 83 Ca 0.00 -0.71 0.09 0.00 -0.26 0.00 0.00 58.87 57.99 1q38 n SER 83 Cb 0.00 0.80 -0.05 0.00 -0.26 0.00 0.00 64.21 64.70 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 -0.82 -3.26 -3.31 7.33 -0.00 -1.26 -5.00 115.22 108.90 1q38 n HIS 84 Ca 0.01 1.79 -0.08 0.00 0.46 0.00 0.00 57.72 59.90 1q38 n HIS 84 Cb 0.07 -2.91 -0.06 0.00 -0.12 0.00 0.00 29.99 26.96 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 -4.49 -0.98 0.04 1.57 -3.43 -1.26 -5.15 115.29 101.59 1q38 s HIS 85 Ca 0.00 0.54 -0.10 0.00 -0.80 0.00 0.00 55.06 54.70 1q38 s HIS 85 Cb 0.00 -0.07 0.01 0.00 -1.43 0.00 0.00 32.58 31.09 1q38 s HIS 85 CO 0.00 -0.90 0.22 -3.38 -2.00 0.00 0.00 174.74 168.68 1q38 s HIS 86 N 2.56 0.02 0.03 0.38 -3.43 -1.26 -4.35 115.29 109.23 1q38 s HIS 86 Ca 0.11 -0.21 -0.13 0.00 -0.80 0.00 0.00 55.06 54.03 1q38 s HIS 86 Cb -0.13 -0.00 0.02 0.00 -1.43 0.00 0.00 32.58 31.03 1q38 s HIS 86 CO -0.25 -0.44 0.28 -1.01 -2.00 0.00 0.00 174.74 171.32 1q38 s HIS 87 N -2.49 -0.09 -0.24 0.38 3.76 -1.26 -5.09 115.29 110.25 1q38 s HIS 87 Ca -0.06 0.00 0.00 0.00 -0.15 0.00 0.00 55.06 54.86 1q38 s HIS 87 Cb -0.01 0.07 0.07 0.00 1.11 0.00 0.00 32.58 33.82 1q38 s HIS 87 CO -0.03 -0.46 -0.02 -1.58 -0.85 0.00 0.00 174.74 171.80 1q38 s HIS 88 N -2.21 2.28 0.00 1.40 2.46 -1.26 -5.00 115.29 112.96 1q38 s HIS 88 Ca -0.07 -1.75 0.00 0.00 0.47 0.00 0.00 55.06 53.71 1q38 s HIS 88 Cb -0.02 -1.63 0.00 0.00 -0.13 0.00 0.00 32.58 30.80 1q38 s HIS 88 CO -0.01 -0.78 0.00 1.58 -2.47 0.00 0.00 174.74 173.06