#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 -2.68 -1.06 3.17 0.63 -1.26 -4.85 116.66 110.62 1q38 n ARG 2 Ca 0.00 0.65 0.00 0.00 -0.92 0.00 0.00 57.85 57.58 1q38 n ARG 2 Cb 0.00 -5.04 0.00 0.00 0.45 0.00 0.00 32.46 27.87 1q38 n ARG 2 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1q38 n GLY 3 N -1.48 -0.20 2.75 5.14 0.00 -1.26 -5.12 105.19 105.03 1q38 n GLY 3 Ca -0.14 -1.07 -0.00 0.00 0.00 0.00 0.00 46.02 44.80 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 0.00 -7.99 -1.93 1.61 7.64 -1.26 -4.86 113.62 106.83 1q38 n SER 4 Ca 0.00 1.36 -0.18 0.00 1.01 0.00 0.00 58.87 61.06 1q38 n SER 4 Cb 0.00 -5.18 0.04 0.00 -1.01 0.00 0.00 64.21 58.06 1q38 n SER 4 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1q38 n ASN 5 N 0.70 6.52 -2.14 6.43 3.02 -1.26 -4.92 115.26 123.62 1q38 n ASN 5 Ca 0.00 -3.10 0.00 0.00 -0.03 0.00 0.00 54.58 51.46 1q38 n ASN 5 Cb 0.04 -1.06 0.00 0.00 -0.61 0.00 0.00 39.78 38.15 1q38 n ASN 5 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1q38 n ALA 6 N 0.32 -2.14 -1.68 5.41 0.00 -1.26 -4.81 120.51 116.35 1q38 n ALA 6 Ca 0.32 0.43 -0.51 0.00 0.00 0.00 0.00 53.44 53.68 1q38 n ALA 6 Cb 0.58 -1.29 -0.05 0.00 0.00 0.00 0.00 19.45 18.68 1q38 n ALA 6 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1q38 n PRO 7 N 1.61 1.76 -2.03 0.00 -0.02 -1.26 -4.87 135.00 130.19 1q38 n PRO 7 Ca 0.00 0.64 -0.43 0.00 -2.02 0.00 0.00 63.50 61.70 1q38 n PRO 7 Cb 0.00 -2.41 -0.03 0.00 -0.02 0.00 0.00 33.50 31.04 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 3.06 3.52 1.13 -0.52 -0.21 -1.26 -4.98 119.66 120.39 1q38 s GLN 8 Ca 0.91 1.55 -0.13 0.00 0.02 0.00 0.00 55.36 57.71 1q38 s GLN 8 Cb -0.83 -4.14 0.26 0.00 1.00 0.00 0.00 33.01 29.30 1q38 s GLN 8 CO 0.53 -1.64 1.04 -2.14 -2.12 0.00 0.00 175.29 170.97 1q38 s PRO 9 N 5.29 -0.64 0.00 2.91 0.02 -1.26 -4.89 135.00 136.43 1q38 s PRO 9 Ca 0.77 0.74 0.24 0.00 0.02 0.00 0.00 61.00 62.77 1q38 s PRO 9 Cb -0.24 -1.59 1.45 0.00 0.02 0.00 0.00 34.50 34.14 1q38 s PRO 9 CO 0.33 -3.51 1.88 0.45 -0.33 0.00 0.00 177.00 175.82 1q38 n SER 10 N -4.75 0.00 -3.43 2.53 2.88 -1.26 -4.83 113.62 104.76 1q38 n SER 10 Ca 0.03 -1.06 -0.14 0.00 -1.33 0.00 0.00 58.87 56.38 1q38 n SER 10 Cb 0.55 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.96 1q38 n SER 10 CO 0.00 0.00 0.00 -1.38 -1.23 0.00 0.00 175.04 172.43 1q38 s HIS 11 N -2.00 0.99 0.41 0.66 0.00 -1.26 -5.16 115.29 108.92 1q38 s HIS 11 Ca 0.37 -1.23 -0.22 0.00 -3.00 0.00 0.00 55.06 50.98 1q38 s HIS 11 Cb 0.17 -0.10 -0.10 0.00 -4.00 0.00 0.00 32.58 28.55 1q38 s HIS 11 CO 0.28 -1.07 0.96 -1.50 -1.00 0.00 0.00 174.74 172.41 1q38 s ILE 12 N -3.29 4.28 0.24 -5.38 1.10 -1.26 -4.95 121.20 111.94 1q38 s ILE 12 Ca 0.30 1.55 -0.05 0.00 -0.51 0.00 0.00 60.65 61.94 1q38 s ILE 12 Cb 0.00 -3.70 0.23 0.00 0.15 0.00 0.00 42.46 39.14 1q38 s ILE 12 CO 0.18 -0.19 1.69 0.28 -2.11 0.00 0.00 174.94 174.79 1q38 h SER 13 N 2.23 0.03 -3.27 4.50 0.02 -1.91 -3.31 113.55 111.83 1q38 h SER 13 Ca -0.48 0.14 0.10 0.00 -0.84 0.00 0.00 61.79 60.71 1q38 h SER 13 Cb 1.19 0.19 -0.27 0.00 0.14 0.00 0.00 62.40 63.65 1q38 h SER 13 CO 0.62 -0.03 0.59 -1.59 -1.14 0.00 0.00 176.83 175.28 1q38 s LYS 14 N -6.05 0.42 0.04 3.45 -2.85 -1.11 -4.71 119.74 108.93 1q38 s LYS 14 Ca -0.13 0.34 0.03 0.00 -1.00 0.00 0.00 55.97 55.21 1q38 s LYS 14 Cb 0.21 0.20 -0.04 0.00 -2.06 0.00 0.00 37.83 36.15 1q38 s LYS 14 CO 0.76 -0.08 0.01 -0.47 0.10 0.00 0.00 175.35 175.66 1q38 s TYR 15 N -0.26 3.06 0.04 1.78 6.14 -0.48 -0.74 117.35 126.89 1q38 s TYR 15 Ca 0.03 0.04 0.07 0.00 0.64 0.00 0.00 57.07 57.85 1q38 s TYR 15 Cb -0.03 -1.62 -0.03 0.00 0.42 0.00 0.00 41.96 40.69 1q38 s TYR 15 CO -0.06 0.48 -0.17 -1.50 0.64 0.00 0.00 175.55 174.94 1q38 s ILE 16 N -1.20 2.86 -0.23 3.14 -1.16 0.90 0.01 121.20 125.52 1q38 s ILE 16 Ca 0.23 -1.15 0.02 0.00 -0.51 0.00 0.00 60.65 59.23 1q38 s ILE 16 Cb -0.12 -2.21 0.05 0.00 0.61 0.00 0.00 42.46 40.80 1q38 s ILE 16 CO 0.14 0.34 -0.10 -0.22 -2.81 0.00 0.00 174.94 172.30 1q38 s LEU 17 N -1.44 2.78 -0.12 8.50 0.20 0.19 -1.23 118.68 127.56 1q38 s LEU 17 Ca 0.15 -1.15 0.02 0.00 0.69 0.00 0.00 54.13 53.84 1q38 s LEU 17 Cb -0.11 -1.34 -0.00 0.00 -0.43 0.00 0.00 46.19 44.31 1q38 s LEU 17 CO 0.05 -0.18 -0.19 -0.13 -0.29 0.00 0.00 176.35 175.61 1q38 s ARG 18 N 1.28 3.16 0.19 1.98 0.52 -0.57 -0.24 118.95 125.28 1q38 s ARG 18 Ca -0.05 -0.80 -0.22 0.00 -0.52 0.00 0.00 55.73 54.14 1q38 s ARG 18 Cb -0.18 -2.46 0.05 0.00 0.52 0.00 0.00 34.95 32.88 1q38 s ARG 18 CO -0.07 0.14 0.62 1.67 0.02 0.00 0.00 175.30 177.68 1q38 s TRP 19 N 0.48 -0.41 -0.17 -0.53 -2.14 -1.09 0.91 118.94 115.99 1q38 s TRP 19 Ca -0.13 0.12 -0.27 0.00 2.66 0.00 0.00 56.10 58.48 1q38 s TRP 19 Cb -0.17 0.58 0.07 0.00 -3.10 0.00 0.00 33.47 30.85 1q38 s TRP 19 CO 0.05 -0.95 0.69 -0.98 -2.66 0.00 0.00 176.95 173.10 1q38 s ARG 20 N -3.81 0.92 -0.25 3.25 3.03 -0.42 0.01 118.95 121.68 1q38 s ARG 20 Ca 0.04 0.67 -0.33 0.00 2.03 0.00 0.00 55.73 58.14 1q38 s ARG 20 Cb -0.02 0.44 -0.10 0.00 -1.03 0.00 0.00 34.95 34.24 1q38 s ARG 20 CO -0.07 -0.19 2.13 -0.35 -1.13 0.00 0.00 175.30 175.68 1q38 n PRO 21 N 1.95 1.60 -0.24 3.89 -0.04 -1.26 -1.45 135.00 139.44 1q38 n PRO 21 Ca -0.16 0.48 0.21 0.00 -0.04 0.00 0.00 63.50 63.99 1q38 n PRO 21 Cb 0.56 -2.74 0.55 0.00 -0.04 0.00 0.00 33.50 31.83 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 12.44 0.33 0.01 0.54 1.63 -0.46 -2.97 116.57 128.10 1q38 h LYS 22 Ca -0.36 -0.02 -0.40 0.00 -0.85 0.00 0.00 60.65 59.01 1q38 h LYS 22 Cb 1.29 -0.07 -0.06 0.00 -0.60 0.00 0.00 32.23 32.78 1q38 h LYS 22 CO 0.98 0.22 -2.37 -1.71 -3.45 0.00 0.00 179.45 173.12 1q38 n ASN 23 N -4.48 1.98 -4.70 4.20 2.85 -0.70 -4.93 115.26 109.48 1q38 n ASN 23 Ca 0.20 0.10 -0.42 0.00 -0.11 0.00 0.00 54.58 54.34 1q38 n ASN 23 Cb 0.75 -0.63 -0.03 0.00 1.24 0.00 0.00 39.78 41.11 1q38 n ASN 23 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 1q38 s SER 24 N -6.93 7.28 -0.25 1.20 0.15 -1.12 -4.99 113.70 109.03 1q38 s SER 24 Ca -0.35 1.61 -0.29 0.00 0.70 0.00 0.00 55.95 57.63 1q38 s SER 24 Cb 0.11 -2.56 -0.01 0.00 -1.71 0.00 0.00 66.02 61.84 1q38 s SER 24 CO 0.58 -0.38 1.47 0.54 1.20 0.00 0.00 173.24 176.65 1q38 s VAL 25 N 1.59 3.90 0.00 4.45 0.11 -1.26 -4.22 120.40 124.97 1q38 s VAL 25 Ca 0.50 1.02 0.00 0.00 -2.93 0.00 0.00 61.98 60.57 1q38 s VAL 25 Cb -0.20 -3.91 0.00 0.00 -1.53 0.00 0.00 36.38 30.74 1q38 s VAL 25 CO 0.23 -0.37 0.00 0.61 -3.33 0.00 0.00 175.10 172.23 1q38 n GLY 26 N 4.49 2.34 3.95 6.54 0.00 -1.26 -5.07 105.19 116.18 1q38 n GLY 26 Ca 0.17 -1.08 -0.23 0.00 0.00 0.00 0.00 46.02 44.88 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 -1.80 3.47 1.29 1.61 3.00 -1.26 -4.96 118.95 120.30 1q38 s ARG 27 Ca 0.00 -0.49 -0.19 0.00 0.00 0.00 0.00 55.73 55.05 1q38 s ARG 27 Cb 0.00 -2.74 0.32 0.00 0.00 0.00 0.00 34.95 32.53 1q38 s ARG 27 CO 0.00 0.24 1.01 -1.58 0.00 0.00 0.00 175.30 174.98 1q38 s TRP 28 N -2.20 0.22 0.09 -0.53 0.52 -1.26 -4.63 118.94 111.14 1q38 s TRP 28 Ca 0.38 0.67 0.01 0.00 0.02 0.00 0.00 56.10 57.18 1q38 s TRP 28 Cb -0.09 -3.13 -0.04 0.00 -1.15 0.00 0.00 33.47 29.06 1q38 s TRP 28 CO 0.34 -4.34 -0.06 0.21 0.02 0.00 0.00 176.95 173.12 1q38 s LYS 29 N -5.07 0.78 -0.05 4.98 2.47 0.10 -4.86 119.74 118.09 1q38 s LYS 29 Ca 0.69 -1.31 -0.02 0.00 -1.56 0.00 0.00 55.97 53.78 1q38 s LYS 29 Cb -0.14 -0.11 0.04 0.00 -1.46 0.00 0.00 37.83 36.15 1q38 s LYS 29 CO 0.58 -0.04 0.09 -1.83 0.16 0.00 0.00 175.35 174.32 1q38 s GLU 30 N -3.85 0.02 -0.12 4.03 4.04 -1.17 -2.67 118.70 118.98 1q38 s GLU 30 Ca 0.11 0.31 -0.04 0.00 0.04 0.00 0.00 54.97 55.39 1q38 s GLU 30 Cb 0.06 -0.24 0.05 0.00 0.02 0.00 0.00 34.13 34.02 1q38 s GLU 30 CO -0.06 -0.19 0.10 0.00 -1.84 0.00 0.00 175.26 173.27 1q38 s ALA 31 N 1.29 0.21 -0.34 -0.84 0.00 0.67 -4.89 121.76 117.87 1q38 s ALA 31 Ca -0.07 0.03 -0.18 0.00 0.00 0.00 0.00 51.96 51.74 1q38 s ALA 31 Cb -0.12 -0.91 -0.01 0.00 0.00 0.00 0.00 23.12 22.08 1q38 s ALA 31 CO -0.05 -0.88 0.50 0.99 0.00 0.00 0.00 175.76 176.32 1q38 s THR 32 N 2.19 5.03 -0.27 0.00 2.01 -1.25 0.54 115.64 123.89 1q38 s THR 32 Ca 0.04 0.39 0.02 0.00 0.31 0.00 0.00 61.69 62.44 1q38 s THR 32 Cb -0.14 -3.94 0.07 0.00 0.01 0.00 0.00 72.50 68.50 1q38 s THR 32 CO -0.07 -0.17 -0.05 0.27 -0.69 0.00 0.00 174.62 173.91 1q38 s ILE 33 N 2.36 1.89 -0.78 1.82 -0.00 0.10 -4.89 121.20 121.70 1q38 s ILE 33 Ca 0.18 -1.61 -0.26 0.00 -0.00 0.00 0.00 60.65 58.96 1q38 s ILE 33 Cb -0.15 -2.15 -0.12 0.00 -0.00 0.00 0.00 42.46 40.03 1q38 s ILE 33 CO 0.13 -0.20 2.37 -2.84 -0.00 0.00 0.00 174.94 174.40 1q38 s PRO 34 N 1.20 1.72 -1.40 0.37 0.02 -1.26 -1.38 135.00 134.27 1q38 s PRO 34 Ca -0.03 0.50 -0.09 0.00 0.02 0.00 0.00 61.00 61.40 1q38 s PRO 34 Cb -0.19 -4.79 0.01 0.00 0.02 0.00 0.00 34.50 29.55 1q38 s PRO 34 CO -0.07 -4.27 0.35 0.41 -0.33 0.00 0.00 177.00 173.09 1q38 n GLY 35 N 6.75 -0.38 3.54 0.52 0.00 -1.25 -1.87 105.19 112.51 1q38 n GLY 35 Ca 0.45 0.23 -0.26 0.00 0.00 0.00 0.00 46.02 46.44 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 -4.58 -2.11 0.28 1.61 -0.00 -1.24 -4.86 115.22 104.32 1q38 n HIS 36 Ca -0.26 0.60 0.16 0.00 0.46 0.00 0.00 57.72 58.68 1q38 n HIS 36 Cb 0.66 -3.62 0.81 0.00 -0.12 0.00 0.00 29.99 27.71 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 -1.53 0.00 0.00 0.27 -0.00 -1.66 -3.47 115.31 108.93 1q38 h LEU 37 Ca -0.62 0.00 0.04 0.00 -0.00 0.00 0.00 57.88 57.30 1q38 h LEU 37 Cb 1.33 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.98 1q38 h LEU 37 CO 0.46 0.07 0.12 -0.46 -0.00 0.00 0.00 178.44 178.63 1q38 n ASN 38 N -3.34 -0.30 -4.58 0.17 6.94 -1.26 -5.10 115.26 107.79 1q38 n ASN 38 Ca -0.01 -1.14 -0.42 0.00 -0.02 0.00 0.00 54.58 52.99 1q38 n ASN 38 Cb 0.24 0.48 -0.03 0.00 -2.36 0.00 0.00 39.78 38.11 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 -1.47 6.29 -0.18 0.53 0.01 -1.26 -5.00 113.70 112.62 1q38 s SER 39 Ca 0.05 0.18 -0.12 0.00 1.31 0.00 0.00 55.95 57.37 1q38 s SER 39 Cb -0.00 -2.55 -0.05 0.00 0.21 0.00 0.00 66.02 63.63 1q38 s SER 39 CO 0.01 -1.60 0.22 -0.72 0.41 0.00 0.00 173.24 171.55 1q38 s TYR 40 N 5.51 3.44 0.03 2.43 1.13 -1.26 -5.09 117.35 123.54 1q38 s TYR 40 Ca 0.47 0.47 -0.01 0.00 -1.41 0.00 0.00 57.07 56.60 1q38 s TYR 40 Cb -0.09 -2.25 -0.04 0.00 -1.10 0.00 0.00 41.96 38.48 1q38 s TYR 40 CO 0.25 0.27 0.16 -0.08 -2.51 0.00 0.00 175.55 173.64 1q38 s THR 41 N 0.40 5.20 -0.04 -3.49 -1.32 -1.26 -5.10 115.64 110.03 1q38 s THR 41 Ca 0.13 -0.36 -0.14 0.00 -1.21 0.00 0.00 61.69 60.10 1q38 s THR 41 Cb -0.12 -3.47 -0.05 0.00 -1.51 0.00 0.00 72.50 67.35 1q38 s THR 41 CO 0.01 0.23 0.37 -0.63 -2.21 0.00 0.00 174.62 172.39 1q38 s ILE 42 N -1.38 5.12 0.23 5.08 1.01 -1.26 -4.96 121.20 125.04 1q38 s ILE 42 Ca 0.30 0.74 0.10 0.00 0.00 0.00 0.00 60.65 61.80 1q38 s ILE 42 Cb -0.13 -3.67 0.24 0.00 0.01 0.00 0.00 42.46 38.91 1q38 s ILE 42 CO 0.22 0.55 1.02 0.29 0.00 0.00 0.00 174.94 177.03 1q38 n LYS 43 N 2.09 -0.04 0.00 2.79 4.01 -1.26 -4.77 118.16 120.98 1q38 n LYS 43 Ca -0.14 0.91 0.00 0.00 -0.51 0.00 0.00 58.31 58.57 1q38 n LYS 43 Cb 0.53 -1.59 0.00 0.00 -0.51 0.00 0.00 35.03 33.45 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 -1.21 2.91 3.61 0.72 0.00 -1.26 -5.10 105.19 104.87 1q38 n GLY 44 Ca 0.22 -0.96 -0.37 0.00 0.00 0.00 0.00 46.02 44.92 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 4.01 0.07 0.99 2.01 -1.26 -5.07 118.68 119.43 1q38 s LEU 45 Ca 0.00 0.04 -0.26 0.00 0.01 0.00 0.00 54.13 53.92 1q38 s LEU 45 Cb 0.00 -2.09 -0.06 0.00 0.01 0.00 0.00 46.19 44.05 1q38 s LEU 45 CO 0.00 0.02 0.80 -1.59 1.01 0.00 0.00 176.35 176.59 1q38 s LYS 46 N 1.35 4.54 0.32 1.70 0.00 -1.26 -3.03 119.74 123.36 1q38 s LYS 46 Ca 0.07 1.15 -0.23 0.00 0.00 0.00 0.00 55.97 56.96 1q38 s LYS 46 Cb -0.15 -3.36 -0.15 0.00 0.00 0.00 0.00 37.83 34.17 1q38 s LYS 46 CO 0.07 0.30 0.23 -2.30 0.00 0.00 0.00 175.35 173.65 1q38 n PRO 47 N 2.68 0.00 -0.10 1.78 -0.01 -1.26 -3.17 135.00 134.92 1q38 n PRO 47 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.47 1q38 n PRO 47 Cb 0.50 -0.96 0.00 0.00 -0.01 0.00 0.00 33.50 33.03 1q38 n PRO 47 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1q38 n GLY 48 N 2.13 0.67 3.26 -1.23 0.00 -1.26 -5.06 105.19 103.70 1q38 n GLY 48 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.33 1.91 -0.25 1.61 1.01 -1.19 -5.02 120.40 116.13 1q38 s VAL 49 Ca 0.00 -1.01 -0.13 0.00 0.00 0.00 0.00 61.98 60.83 1q38 s VAL 49 Cb 0.00 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 1q38 s VAL 49 CO 0.00 0.54 0.29 0.54 0.00 0.00 0.00 175.10 176.46 1q38 s VAL 50 N -0.39 5.25 -0.12 2.92 0.11 -1.26 0.17 120.40 127.09 1q38 s VAL 50 Ca 0.04 0.42 -0.01 0.00 -2.93 0.00 0.00 61.98 59.50 1q38 s VAL 50 Cb -0.11 -3.62 -0.03 0.00 -1.53 0.00 0.00 36.38 31.10 1q38 s VAL 50 CO 0.01 0.24 -0.07 -0.31 -3.33 0.00 0.00 175.10 171.64 1q38 s TYR 51 N 1.58 2.94 -0.18 1.54 1.51 0.39 0.26 117.35 125.38 1q38 s TYR 51 Ca 0.12 -0.27 -0.13 0.00 -1.01 0.00 0.00 57.07 55.79 1q38 s TYR 51 Cb -0.15 -1.84 -0.05 0.00 -0.11 0.00 0.00 41.96 39.81 1q38 s TYR 51 CO 0.08 0.05 0.24 -2.00 -1.11 0.00 0.00 175.55 172.82 1q38 s GLU 52 N -0.05 4.21 0.12 -0.62 2.12 -0.53 -0.42 118.70 123.53 1q38 s GLU 52 Ca 0.00 -0.02 0.09 0.00 0.36 0.00 0.00 54.97 55.40 1q38 s GLU 52 Cb -0.13 -3.45 -0.04 0.00 0.26 0.00 0.00 34.13 30.77 1q38 s GLU 52 CO 0.03 0.21 -0.22 0.20 -0.54 0.00 0.00 175.26 174.95 1q38 s GLY 53 N 0.55 1.33 0.02 -1.50 0.00 0.76 -1.30 107.32 107.18 1q38 s GLY 53 Ca 0.13 -1.33 0.03 0.00 0.00 0.00 0.00 44.72 43.56 1q38 s GLY 53 CO 0.03 -1.34 -0.11 1.62 0.00 0.00 0.00 173.10 173.30 1q38 s GLN 54 N -2.08 0.75 -0.27 2.90 0.74 0.26 -1.28 119.66 120.68 1q38 s GLN 54 Ca 0.09 -0.58 0.02 0.00 0.05 0.00 0.00 55.36 54.94 1q38 s GLN 54 Cb -0.09 -0.70 0.07 0.00 1.10 0.00 0.00 33.01 33.39 1q38 s GLN 54 CO 0.05 0.17 -0.05 -0.51 -0.55 0.00 0.00 175.29 174.41 1q38 s LEU 55 N -0.87 3.24 -0.23 3.68 1.02 0.05 -1.51 118.68 124.05 1q38 s LEU 55 Ca -0.00 -1.45 -0.03 0.00 0.02 0.00 0.00 54.13 52.67 1q38 s LEU 55 Cb -0.06 -1.37 0.01 0.00 0.02 0.00 0.00 46.19 44.79 1q38 s LEU 55 CO 0.00 -0.26 -0.06 -0.63 0.02 0.00 0.00 176.35 175.43 1q38 s ILE 56 N 1.22 3.05 0.17 -0.59 1.01 -0.37 -1.97 121.20 123.72 1q38 s ILE 56 Ca -0.03 -0.78 -0.28 0.00 0.00 0.00 0.00 60.65 59.57 1q38 s ILE 56 Cb -0.19 -2.46 -0.08 0.00 0.01 0.00 0.00 42.46 39.75 1q38 s ILE 56 CO -0.07 0.32 0.86 -0.44 0.00 0.00 0.00 174.94 175.61 1q38 s SER 57 N 1.39 7.47 -0.09 3.58 0.01 0.13 -0.07 113.70 126.12 1q38 s SER 57 Ca 0.03 1.74 0.04 0.00 1.31 0.00 0.00 55.95 59.07 1q38 s SER 57 Cb -0.15 -2.55 -0.01 0.00 0.21 0.00 0.00 66.02 63.52 1q38 s SER 57 CO -0.05 0.13 -0.21 -0.63 0.41 0.00 0.00 173.24 172.89 1q38 s ILE 58 N -0.85 2.37 0.45 1.44 1.01 0.08 -0.74 121.20 124.97 1q38 s ILE 58 Ca 0.39 -0.93 0.02 0.00 0.00 0.00 0.00 60.65 60.14 1q38 s ILE 58 Cb -0.24 -1.92 0.09 0.00 0.01 0.00 0.00 42.46 40.40 1q38 s ILE 58 CO 0.28 0.56 0.62 1.67 0.00 0.00 0.00 174.94 178.07 1q38 n GLN 59 N 3.27 0.32 0.25 2.79 0.00 -1.25 -2.75 117.38 120.00 1q38 n GLN 59 Ca -0.18 -1.88 0.07 0.00 -0.00 0.00 0.00 57.00 55.01 1q38 n GLN 59 Cb 0.53 -0.36 0.59 0.00 0.00 0.00 0.00 30.24 31.00 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 -0.02 3.69 -0.00 -1.97 -1.37 115.11 115.44 1q38 h GLN 60 Ca -0.21 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.44 1q38 h GLN 60 Cb 0.81 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.29 1q38 h GLN 60 CO 0.24 0.07 -0.13 2.48 -0.00 0.00 0.00 178.83 181.49 1q38 n TYR 61 N -4.44 0.00 0.00 0.06 4.11 -1.26 -5.08 117.16 110.54 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 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.49 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 1.19 1.04 1.47 -7.48 0.00 -0.52 -5.11 105.19 95.78 1q38 n GLY 62 Ca 0.11 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.40 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 1.10 -3.59 0.16 1.61 -0.00 -1.26 -4.30 115.22 108.93 1q38 n HIS 63 Ca 0.00 1.97 0.00 0.00 -0.00 0.00 0.00 57.72 59.69 1q38 n HIS 63 Cb 0.00 -3.16 0.00 0.00 -0.00 0.00 0.00 29.99 26.83 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 0.65 0.00 -3.82 1.57 1.13 0.08 -3.79 117.38 113.19 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 0.34 -0.13 -1.09 2.12 -0.82 -4.88 118.70 112.24 1q38 s GLU 65 Ca 0.00 0.02 -0.02 0.00 0.36 0.00 0.00 54.97 55.33 1q38 s GLU 65 Cb 0.00 0.15 0.04 0.00 0.26 0.00 0.00 34.13 34.58 1q38 s GLU 65 CO 0.00 -0.06 0.01 0.08 -0.54 0.00 0.00 175.26 174.75 1q38 s VAL 66 N -0.47 0.46 -0.06 3.70 1.01 -1.26 0.18 120.40 123.96 1q38 s VAL 66 Ca -0.06 -0.18 -0.01 0.00 0.00 0.00 0.00 61.98 61.73 1q38 s VAL 66 Cb -0.04 -0.76 0.03 0.00 0.00 0.00 0.00 36.38 35.61 1q38 s VAL 66 CO 0.01 0.07 0.00 -0.89 0.00 0.00 0.00 175.10 174.29 1q38 s THR 67 N 1.91 0.31 -0.08 3.92 2.01 -0.83 -5.01 115.64 117.88 1q38 s THR 67 Ca 0.03 0.14 -0.00 0.00 0.31 0.00 0.00 61.69 62.16 1q38 s THR 67 Cb -0.14 -0.47 -0.03 0.00 0.01 0.00 0.00 72.50 71.87 1q38 s THR 67 CO -0.07 0.24 -0.04 -0.13 -0.69 0.00 0.00 174.62 173.93 1q38 s ARG 68 N 1.83 2.86 -0.23 4.92 0.52 -1.26 -0.77 118.95 126.82 1q38 s ARG 68 Ca 0.02 -0.50 -0.18 0.00 -0.52 0.00 0.00 55.73 54.56 1q38 s ARG 68 Cb -0.12 -2.67 0.06 0.00 0.52 0.00 0.00 34.95 32.74 1q38 s ARG 68 CO -0.04 0.66 0.58 -0.59 0.02 0.00 0.00 175.30 175.93 1q38 s PHE 69 N -0.79 -0.74 -0.08 -0.53 -0.12 -0.40 -5.01 117.98 110.31 1q38 s PHE 69 Ca 0.12 1.66 -0.12 0.00 -0.05 0.00 0.00 56.93 58.54 1q38 s PHE 69 Cb -0.11 0.33 -0.05 0.00 -0.63 0.00 0.00 43.02 42.55 1q38 s PHE 69 CO 0.02 -0.37 0.30 0.16 -0.05 0.00 0.00 175.22 175.28 1q38 s ASP 70 N 0.81 6.59 0.14 1.98 -4.77 -1.26 -0.17 116.67 119.99 1q38 s ASP 70 Ca -0.04 0.71 -0.02 0.00 -3.30 0.00 0.00 52.55 49.89 1q38 s ASP 70 Cb -0.05 -2.18 -0.03 0.00 -1.09 0.00 0.00 42.92 39.56 1q38 s ASP 70 CO -0.06 0.29 0.10 0.72 0.70 0.00 0.00 175.17 176.92 1q38 s PHE 71 N -0.67 0.79 0.37 2.11 -0.12 0.44 -4.93 117.98 115.97 1q38 s PHE 71 Ca 0.19 -1.15 0.06 0.00 -0.05 0.00 0.00 56.93 55.98 1q38 s PHE 71 Cb -0.14 -0.40 -0.00 0.00 -0.63 0.00 0.00 43.02 41.84 1q38 s PHE 71 CO 0.08 -0.56 0.52 0.95 -0.05 0.00 0.00 175.22 176.16 1q38 s THR 72 N -4.04 3.78 1.10 -4.49 -4.23 -1.26 0.15 115.64 106.64 1q38 s THR 72 Ca 0.24 -0.94 -0.17 0.00 -1.18 0.00 0.00 61.69 59.64 1q38 s THR 72 Cb 0.07 -3.31 0.17 0.00 1.34 0.00 0.00 72.50 70.76 1q38 s THR 72 CO 0.02 -0.13 0.25 0.35 -0.54 0.00 0.00 174.62 174.56 1q38 n THR 73 N -1.75 0.00 -0.11 3.99 -2.24 0.13 -4.60 114.28 109.70 1q38 n THR 73 Ca 0.02 -0.13 -0.17 0.00 -2.27 0.00 0.00 64.05 61.51 1q38 n THR 73 Cb 0.58 -0.58 -0.06 0.00 -2.10 0.00 0.00 70.33 68.18 1q38 n THR 73 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1q38 n THR 74 N -4.56 1.51 -1.67 4.28 -2.24 -1.17 -4.97 114.28 105.46 1q38 n THR 74 Ca 0.05 -0.05 -0.15 0.00 -2.27 0.00 0.00 64.05 61.63 1q38 n THR 74 Cb 0.48 -2.17 -0.05 0.00 -2.10 0.00 0.00 70.33 66.48 1q38 n THR 74 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1q38 n SER 75 N -4.40 -4.02 -2.79 3.42 3.41 -1.20 -4.81 113.62 103.23 1q38 n SER 75 Ca -0.29 0.31 -0.10 0.00 -0.26 0.00 0.00 58.87 58.54 1q38 n SER 75 Cb 0.64 -3.62 0.04 0.00 -0.26 0.00 0.00 64.21 61.01 1q38 n SER 75 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1q38 n THR 76 N -2.35 -0.06 -0.38 6.66 5.66 -1.26 -4.96 114.28 117.57 1q38 n THR 76 Ca -0.15 -1.78 -0.28 0.00 -3.05 0.00 0.00 64.05 58.79 1q38 n THR 76 Cb 0.52 1.16 0.26 0.00 -1.55 0.00 0.00 70.33 70.72 1q38 n THR 76 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1q38 n SER 77 N 1.40 -3.56 -0.00 1.09 7.64 -1.26 -4.99 113.62 113.94 1q38 n SER 77 Ca 0.10 -0.87 -0.04 0.00 1.01 0.00 0.00 58.87 59.06 1q38 n SER 77 Cb 0.63 -0.91 -0.12 0.00 -1.01 0.00 0.00 64.21 62.81 1q38 n SER 77 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1q38 n THR 78 N -5.39 1.38 -0.43 0.44 5.66 -1.26 -4.97 114.28 109.71 1q38 n THR 78 Ca 0.13 -0.75 0.00 0.00 -3.05 0.00 0.00 64.05 60.38 1q38 n THR 78 Cb 0.55 -0.84 0.00 0.00 -1.55 0.00 0.00 70.33 68.48 1q38 n THR 78 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 1q38 n PRO 79 N -2.94 0.63 0.00 1.09 -0.04 -1.26 -4.87 135.00 127.61 1q38 n PRO 79 Ca -0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 1q38 n PRO 79 Cb 0.96 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.42 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 5.00 1.14 3.28 0.55 0.00 -1.26 -5.11 105.19 108.79 1q38 n GLY 80 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.30 1.62 -0.32 1.61 1.04 -1.26 -5.14 113.70 109.95 1q38 s SER 81 Ca 0.00 -1.75 -0.10 0.00 0.48 0.00 0.00 55.95 54.58 1q38 s SER 81 Cb 0.00 0.55 -0.00 0.00 0.10 0.00 0.00 66.02 66.67 1q38 s SER 81 CO 0.00 -1.06 0.17 -0.13 0.98 0.00 0.00 173.24 173.20 1q38 s ARG 82 N -3.47 3.29 -0.07 4.02 3.00 -1.26 -4.91 118.95 119.54 1q38 s ARG 82 Ca 0.41 -0.76 0.13 0.00 0.00 0.00 0.00 55.73 55.51 1q38 s ARG 82 Cb 0.03 -3.61 0.26 0.00 0.00 0.00 0.00 34.95 31.63 1q38 s ARG 82 CO 0.27 -0.45 1.12 0.45 0.00 0.00 0.00 175.30 176.69 1q38 n SER 83 N 4.99 1.17 -1.15 0.23 2.88 -1.26 -5.12 113.62 115.37 1q38 n SER 83 Ca -0.13 -2.66 0.06 0.00 -1.33 0.00 0.00 58.87 54.81 1q38 n SER 83 Cb 0.49 -0.35 -0.03 0.00 -0.75 0.00 0.00 64.21 63.57 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 -0.46 -3.13 -3.68 0.66 -0.00 -1.26 -5.09 115.22 102.26 1q38 n HIS 84 Ca 0.09 1.71 -0.05 0.00 -0.00 0.00 0.00 57.72 59.47 1q38 n HIS 84 Cb 0.79 -2.79 -0.02 0.00 -0.00 0.00 0.00 29.99 27.98 1q38 n HIS 84 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 1q38 s HIS 85 N -4.62 -0.20 0.80 4.41 5.04 -1.26 -5.16 115.29 114.30 1q38 s HIS 85 Ca 0.00 -0.07 -0.12 0.00 -1.54 0.00 0.00 55.06 53.33 1q38 s HIS 85 Cb 0.00 0.61 0.08 0.00 0.04 0.00 0.00 32.58 33.32 1q38 s HIS 85 CO 0.00 -0.77 1.16 -3.38 -2.34 0.00 0.00 174.74 169.41 1q38 s HIS 86 N -3.28 2.01 -0.07 3.88 -3.43 -1.26 -5.05 115.29 108.08 1q38 s HIS 86 Ca 0.10 1.67 -0.28 0.00 -0.80 0.00 0.00 55.06 55.75 1q38 s HIS 86 Cb -0.01 -3.33 0.06 0.00 -1.43 0.00 0.00 32.58 27.87 1q38 s HIS 86 CO -0.01 -2.49 0.62 -1.58 -2.00 0.00 0.00 174.74 169.28 1q38 s HIS 87 N -2.42 -0.60 0.07 0.38 5.04 -1.26 -5.16 115.29 111.34 1q38 s HIS 87 Ca 0.69 1.08 -0.20 0.00 -1.54 0.00 0.00 55.06 55.09 1q38 s HIS 87 Cb -0.24 0.35 -0.07 0.00 0.04 0.00 0.00 32.58 32.66 1q38 s HIS 87 CO 0.52 -0.55 0.59 -1.58 -2.34 0.00 0.00 174.74 171.38 1q38 s HIS 88 N -1.03 3.80 0.00 3.88 2.46 -1.26 -5.36 115.29 117.77 1q38 s HIS 88 Ca -0.10 1.28 0.00 0.00 0.47 0.00 0.00 55.06 56.71 1q38 s HIS 88 Cb -0.01 -2.53 0.00 0.00 -0.13 0.00 0.00 32.58 29.91 1q38 s HIS 88 CO 0.08 0.55 0.00 1.58 -2.47 0.00 0.00 174.74 174.48