#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 0.00 0.00 3.17 1.74 -1.26 -5.12 116.66 115.19 1q38 n ARG 2 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1q38 n ARG 2 Cb 0.00 -0.10 0.00 0.00 -1.02 0.00 0.00 32.46 31.34 1q38 n ARG 2 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1q38 n GLY 3 N 3.39 0.32 3.56 -0.13 0.00 -1.26 -5.06 105.19 106.01 1q38 n GLY 3 Ca 0.00 -0.58 -0.39 0.00 0.00 0.00 0.00 46.02 45.06 1q38 n GLY 3 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1q38 s SER 4 N 0.00 5.18 0.00 1.61 0.01 -1.26 -4.81 113.70 114.43 1q38 s SER 4 Ca 0.00 0.61 0.00 0.00 1.31 0.00 0.00 55.95 57.87 1q38 s SER 4 Cb 0.00 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.71 1q38 s SER 4 CO 0.00 -2.40 0.00 -3.20 0.41 0.00 0.00 173.24 168.05 1q38 n ASN 5 N 13.08 0.00 -2.81 2.44 5.15 -1.26 -5.08 115.26 126.78 1q38 n ASN 5 Ca 0.24 0.02 -0.01 0.00 -0.60 0.00 0.00 54.58 54.23 1q38 n ASN 5 Cb 0.52 -0.42 -0.00 0.00 -0.53 0.00 0.00 39.78 39.34 1q38 n ASN 5 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1q38 n ALA 6 N -2.32 -3.16 -1.59 5.20 0.00 -1.26 -4.86 120.51 112.52 1q38 n ALA 6 Ca 0.00 0.57 -0.38 0.00 0.00 0.00 0.00 53.44 53.63 1q38 n ALA 6 Cb 0.00 -1.24 0.04 0.00 0.00 0.00 0.00 19.45 18.25 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 0.97 0.92 -3.22 0.00 -0.02 -1.26 -3.76 135.00 128.63 1q38 n PRO 7 Ca -0.04 0.35 -0.08 0.00 -2.02 0.00 0.00 63.50 61.71 1q38 n PRO 7 Cb 0.16 -2.07 0.02 0.00 -0.02 0.00 0.00 33.50 31.59 1q38 n PRO 7 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1q38 n GLN 8 N -0.65 -1.51 -0.06 -0.52 6.02 -1.26 -5.03 117.38 114.38 1q38 n GLN 8 Ca 0.12 1.23 0.00 0.00 -0.01 0.00 0.00 57.00 58.34 1q38 n GLN 8 Cb 0.46 -5.30 0.00 0.00 1.02 0.00 0.00 30.24 26.42 1q38 n GLN 8 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1q38 n PRO 9 N -2.31 0.52 -0.04 -1.09 -0.04 -1.25 -5.04 135.00 125.76 1q38 n PRO 9 Ca -0.05 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.20 1q38 n PRO 9 Cb 0.55 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.88 1q38 n PRO 9 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1q38 h SER 10 N 0.00 0.23 0.00 3.54 0.02 -1.95 -3.48 113.55 111.91 1q38 h SER 10 Ca 0.00 -0.76 0.00 0.00 -0.84 0.00 0.00 61.79 60.19 1q38 h SER 10 Cb 0.00 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.46 1q38 h SER 10 CO 0.00 1.57 0.00 1.41 -1.14 0.00 0.00 176.83 178.67 1q38 n HIS 11 N -4.07 -0.09 -1.54 3.45 8.25 -1.26 -4.99 115.22 114.96 1q38 n HIS 11 Ca -0.27 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 56.85 1q38 n HIS 11 Cb 0.82 0.00 0.07 0.00 1.12 0.00 0.00 29.99 32.01 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 2.88 0.11 1.59 2.07 -1.26 -4.94 121.20 121.65 1q38 s ILE 12 Ca 0.00 0.40 -0.25 0.00 -1.41 0.00 0.00 60.65 59.39 1q38 s ILE 12 Cb 0.00 -2.90 -0.08 0.00 0.13 0.00 0.00 42.46 39.61 1q38 s ILE 12 CO 0.00 -0.27 1.67 0.28 -1.91 0.00 0.00 174.94 174.71 1q38 h SER 13 N -0.30 -0.49 -2.91 4.50 0.02 -1.88 -3.41 113.55 109.08 1q38 h SER 13 Ca -0.46 0.06 0.19 0.00 -0.84 0.00 0.00 61.79 60.74 1q38 h SER 13 Cb 1.26 0.19 -0.29 0.00 0.14 0.00 0.00 62.40 63.71 1q38 h SER 13 CO 0.52 -0.24 0.84 -1.59 -1.14 0.00 0.00 176.83 175.21 1q38 s LYS 14 N -6.12 0.16 -0.09 3.45 0.00 -1.07 -4.70 119.74 111.37 1q38 s LYS 14 Ca -0.15 0.10 -0.05 0.00 0.00 0.00 0.00 55.97 55.87 1q38 s LYS 14 Cb 0.08 0.08 -0.04 0.00 0.00 0.00 0.00 37.83 37.95 1q38 s LYS 14 CO 0.66 -0.04 0.11 0.71 0.00 0.00 0.00 175.35 176.79 1q38 s TYR 15 N -0.57 3.49 -0.10 1.78 1.51 -0.94 -1.97 117.35 120.55 1q38 s TYR 15 Ca 0.07 0.42 0.01 0.00 -1.01 0.00 0.00 57.07 56.56 1q38 s TYR 15 Cb -0.03 -1.88 -0.02 0.00 -0.11 0.00 0.00 41.96 39.92 1q38 s TYR 15 CO -0.09 0.66 -0.15 0.42 -1.11 0.00 0.00 175.55 175.28 1q38 s ILE 16 N -1.05 2.94 -0.22 2.71 -1.09 -0.27 -1.40 121.20 122.83 1q38 s ILE 16 Ca 0.17 -0.72 0.02 0.00 -2.23 0.00 0.00 60.65 57.88 1q38 s ILE 16 Cb -0.12 -2.20 0.04 0.00 -1.58 0.00 0.00 42.46 38.60 1q38 s ILE 16 CO 0.06 0.55 -0.13 -0.22 -1.23 0.00 0.00 174.94 173.96 1q38 s LEU 17 N 0.05 2.73 -0.16 2.97 2.96 0.11 -0.13 118.68 127.22 1q38 s LEU 17 Ca -0.06 -1.04 -0.03 0.00 -0.22 0.00 0.00 54.13 52.79 1q38 s LEU 17 Cb -0.15 -1.44 -0.02 0.00 0.50 0.00 0.00 46.19 45.08 1q38 s LEU 17 CO 0.05 -0.12 -0.05 -0.13 -1.32 0.00 0.00 176.35 174.77 1q38 s ARG 18 N 1.24 3.61 -0.03 1.98 0.52 -0.20 -1.76 118.95 124.30 1q38 s ARG 18 Ca -0.03 -0.55 -0.03 0.00 -0.52 0.00 0.00 55.73 54.60 1q38 s ARG 18 Cb -0.17 -2.88 0.01 0.00 0.52 0.00 0.00 34.95 32.43 1q38 s ARG 18 CO -0.08 0.20 0.09 1.67 0.02 0.00 0.00 175.30 177.20 1q38 s TRP 19 N 0.45 -0.09 -0.09 -0.53 -2.14 -1.09 0.23 118.94 115.67 1q38 s TRP 19 Ca -0.05 0.22 -0.17 0.00 2.66 0.00 0.00 56.10 58.77 1q38 s TRP 19 Cb -0.14 0.03 0.04 0.00 -3.10 0.00 0.00 33.47 30.29 1q38 s TRP 19 CO 0.03 -0.05 0.41 0.50 -2.66 0.00 0.00 176.95 175.18 1q38 s ARG 20 N 0.02 0.62 -0.09 3.25 3.00 -0.96 -0.55 118.95 124.24 1q38 s ARG 20 Ca -0.00 0.26 -0.32 0.00 -1.00 0.00 0.00 55.73 54.67 1q38 s ARG 20 Cb -0.01 0.29 -0.10 0.00 0.00 0.00 0.00 34.95 35.14 1q38 s ARG 20 CO 0.00 -0.14 1.99 -2.30 0.00 0.00 0.00 175.30 174.85 1q38 n PRO 21 N 2.04 2.27 0.27 5.12 -0.02 -1.25 -2.64 135.00 140.79 1q38 n PRO 21 Ca -0.17 0.80 0.17 0.00 -2.02 0.00 0.00 63.50 62.27 1q38 n PRO 21 Cb 0.57 -2.83 0.90 0.00 -0.02 0.00 0.00 33.50 32.11 1q38 n PRO 21 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1q38 h LYS 22 N 10.79 0.00 0.00 -0.52 1.79 -1.93 0.14 116.57 126.83 1q38 h LYS 22 Ca -0.46 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.01 1q38 h LYS 22 Cb 1.26 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.91 1q38 h LYS 22 CO 0.95 0.00 -0.63 -2.95 -1.08 0.00 0.00 179.45 175.75 1q38 h ASN 23 N 0.00 0.00 -1.59 0.86 7.08 -1.88 -3.47 115.58 116.59 1q38 h ASN 23 Ca 0.00 -0.05 0.00 0.00 -3.08 0.00 0.00 56.30 53.17 1q38 h ASN 23 Cb 0.13 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.37 1q38 h ASN 23 CO 0.00 0.02 0.00 -0.24 -2.08 0.00 0.00 177.43 175.13 1q38 n SER 24 N -2.63 0.00 -0.06 6.14 2.88 0.49 -5.03 113.62 115.41 1q38 n SER 24 Ca 0.02 -0.63 -0.02 0.00 -1.33 0.00 0.00 58.87 56.91 1q38 n SER 24 Cb 0.51 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.84 1q38 n SER 24 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1q38 n VAL 25 N -1.15 0.73 0.00 2.46 0.24 -1.26 -5.01 118.33 114.34 1q38 n VAL 25 Ca 0.00 -0.61 0.00 0.00 -2.04 0.00 0.00 64.34 61.69 1q38 n VAL 25 Cb 0.00 -0.31 0.00 0.00 -1.47 0.00 0.00 33.84 32.06 1q38 n VAL 25 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1q38 n GLY 26 N 1.77 -0.50 3.27 7.63 0.00 -1.26 -5.07 105.19 111.03 1q38 n GLY 26 Ca -0.19 0.28 -0.13 0.00 0.00 0.00 0.00 46.02 45.98 1q38 n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1q38 n ARG 27 N 0.00 -1.83 -0.40 1.61 3.00 -1.26 -4.61 116.66 113.17 1q38 n ARG 27 Ca 0.00 0.98 -0.23 0.00 -0.01 0.00 0.00 57.85 58.59 1q38 n ARG 27 Cb 0.00 -5.47 0.21 0.00 0.00 0.00 0.00 32.46 27.20 1q38 n ARG 27 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.63 178.54 1q38 n TRP 28 N -2.94 -3.48 -4.17 -1.55 7.02 -1.26 -4.75 117.44 106.31 1q38 n TRP 28 Ca -0.06 -0.66 -0.16 0.00 -1.02 0.00 0.00 57.50 55.59 1q38 n TRP 28 Cb 0.59 -0.91 -0.11 0.00 -2.42 0.00 0.00 31.31 28.45 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 -4.68 0.82 -0.07 -0.99 -0.14 0.29 -4.88 119.74 110.09 1q38 s LYS 29 Ca 0.52 -1.03 0.05 0.00 -1.36 0.00 0.00 55.97 54.15 1q38 s LYS 29 Cb -0.08 -0.67 -0.01 0.00 -1.68 0.00 0.00 37.83 35.39 1q38 s LYS 29 CO 0.42 0.13 -0.24 -1.21 -0.76 0.00 0.00 175.35 173.69 1q38 s GLU 30 N -2.17 2.66 -0.07 1.68 8.01 -1.26 -2.67 118.70 124.89 1q38 s GLU 30 Ca 0.01 -0.89 -0.03 0.00 0.01 0.00 0.00 54.97 54.07 1q38 s GLU 30 Cb -0.07 -2.18 0.04 0.00 -4.31 0.00 0.00 34.13 27.61 1q38 s GLU 30 CO 0.01 0.32 0.08 0.00 0.01 0.00 0.00 175.26 175.68 1q38 s ALA 31 N -0.01 0.20 -0.20 5.21 0.00 -0.72 -4.95 121.76 121.29 1q38 s ALA 31 Ca -0.08 0.16 -0.06 0.00 0.00 0.00 0.00 51.96 51.97 1q38 s ALA 31 Cb -0.15 -0.73 -0.03 0.00 0.00 0.00 0.00 23.12 22.21 1q38 s ALA 31 CO 0.05 -0.63 0.03 0.99 0.00 0.00 0.00 175.76 176.20 1q38 s THR 32 N 2.18 4.30 -0.23 0.00 2.01 -1.25 -0.71 115.64 121.93 1q38 s THR 32 Ca 0.04 -0.20 -0.04 0.00 0.31 0.00 0.00 61.69 61.80 1q38 s THR 32 Cb -0.13 -2.94 0.08 0.00 0.01 0.00 0.00 72.50 69.52 1q38 s THR 32 CO -0.05 0.43 0.11 -0.63 -0.69 0.00 0.00 174.62 173.80 1q38 s ILE 33 N 0.80 -0.09 -0.42 1.82 1.09 -0.49 -4.90 121.20 119.01 1q38 s ILE 33 Ca 0.02 -0.44 -0.28 0.00 -1.10 0.00 0.00 60.65 58.85 1q38 s ILE 33 Cb -0.14 -0.77 -0.01 0.00 -1.06 0.00 0.00 42.46 40.48 1q38 s ILE 33 CO 0.02 -0.49 1.70 -2.16 -0.10 0.00 0.00 174.94 173.91 1q38 s PRO 34 N 2.13 3.24 0.10 2.79 0.04 -1.26 -2.20 135.00 139.83 1q38 s PRO 34 Ca 0.05 1.07 0.00 0.00 0.04 0.00 0.00 61.00 62.17 1q38 s PRO 34 Cb -0.16 -4.19 0.00 0.00 0.04 0.00 0.00 34.50 30.19 1q38 s PRO 34 CO -0.22 -1.98 0.00 0.41 0.04 0.00 0.00 177.00 175.24 1q38 n GLY 35 N 5.39 -4.83 3.47 0.56 0.00 -1.26 -4.67 105.19 103.85 1q38 n GLY 35 Ca 0.20 -0.32 -0.44 0.00 0.00 0.00 0.00 46.02 45.46 1q38 n GLY 35 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1q38 n HIS 36 N 1.26 1.01 0.08 1.61 1.44 -1.26 -4.77 115.22 114.59 1q38 n HIS 36 Ca 0.00 0.36 -0.13 0.00 -2.01 0.00 0.00 57.72 55.94 1q38 n HIS 36 Cb 0.00 -2.45 -0.13 0.00 0.12 0.00 0.00 29.99 27.53 1q38 n HIS 36 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 1q38 h LEU 37 N 13.37 0.25 0.00 2.39 3.38 -1.93 -3.50 115.31 129.28 1q38 h LEU 37 Ca -0.14 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.55 1q38 h LEU 37 Cb 1.32 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1q38 h LEU 37 CO 1.24 1.23 0.00 -0.46 0.09 0.00 0.00 178.44 180.54 1q38 n ASN 38 N -3.43 0.00 -4.58 -0.43 2.04 -1.26 -5.10 115.26 102.51 1q38 n ASN 38 Ca -0.07 0.00 -0.42 0.00 -0.44 0.00 0.00 54.58 53.65 1q38 n ASN 38 Cb 1.00 0.00 -0.03 0.00 -2.53 0.00 0.00 39.78 38.22 1q38 n ASN 38 CO 0.00 0.00 0.00 -0.44 -0.44 0.00 0.00 177.26 176.38 1q38 s SER 39 N 2.00 6.22 -0.36 0.53 0.01 -1.26 -4.98 113.70 115.86 1q38 s SER 39 Ca 0.00 0.24 -0.17 0.00 1.31 0.00 0.00 55.95 57.32 1q38 s SER 39 Cb 0.00 -2.55 -0.00 0.00 0.21 0.00 0.00 66.02 63.68 1q38 s SER 39 CO 0.00 -1.65 0.48 -0.47 0.41 0.00 0.00 173.24 172.01 1q38 s TYR 40 N 5.75 3.18 0.04 2.43 6.14 -1.26 -5.06 117.35 128.57 1q38 s TYR 40 Ca 0.50 0.08 -0.03 0.00 0.64 0.00 0.00 57.07 58.26 1q38 s TYR 40 Cb -0.10 -2.88 -0.04 0.00 0.42 0.00 0.00 41.96 39.35 1q38 s TYR 40 CO 0.25 -0.54 0.24 -0.08 0.64 0.00 0.00 175.55 176.06 1q38 s THR 41 N 2.31 5.35 -0.34 4.34 -1.32 -1.26 -5.08 115.64 119.63 1q38 s THR 41 Ca 0.17 -0.13 -0.13 0.00 -1.21 0.00 0.00 61.69 60.39 1q38 s THR 41 Cb -0.16 -3.59 -0.02 0.00 -1.51 0.00 0.00 72.50 67.23 1q38 s THR 41 CO 0.13 0.23 0.26 -0.63 -2.21 0.00 0.00 174.62 172.40 1q38 s ILE 42 N -1.43 5.27 0.00 5.08 1.01 -1.26 -4.99 121.20 124.87 1q38 s ILE 42 Ca 0.32 -0.17 0.00 0.00 0.00 0.00 0.00 60.65 60.80 1q38 s ILE 42 Cb -0.13 -3.73 0.00 0.00 0.01 0.00 0.00 42.46 38.61 1q38 s ILE 42 CO 0.22 -0.02 0.00 0.29 0.00 0.00 0.00 174.94 175.43 1q38 n LYS 43 N 5.15 0.00 0.00 2.79 4.76 -1.26 -4.31 118.16 125.29 1q38 n LYS 43 Ca -0.12 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.32 1q38 n LYS 43 Cb 0.50 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.69 1q38 n LYS 43 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1q38 n GLY 44 N 0.00 -0.65 2.06 0.72 0.00 -1.26 -5.18 105.19 100.88 1q38 n GLY 44 Ca 0.00 0.87 -0.17 0.00 0.00 0.00 0.00 46.02 46.72 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 -3.81 0.99 7.99 -1.26 -5.11 117.00 115.80 1q38 n LEU 45 Ca 0.00 -0.72 -0.09 0.00 -0.01 0.00 0.00 56.01 55.19 1q38 n LEU 45 Cb 0.00 -0.57 -0.06 0.00 -0.11 0.00 0.00 43.42 42.67 1q38 n LEU 45 CO 0.00 -1.44 -0.00 -1.59 -1.51 0.00 0.00 177.39 172.85 1q38 s LYS 46 N -4.49 0.97 0.62 3.23 -2.85 -1.26 -4.84 119.74 111.11 1q38 s LYS 46 Ca 0.41 -0.92 -0.18 0.00 -1.00 0.00 0.00 55.97 54.28 1q38 s LYS 46 Cb -0.03 0.39 -0.04 0.00 -2.06 0.00 0.00 37.83 36.09 1q38 s LYS 46 CO 0.31 -0.34 1.02 -2.30 0.10 0.00 0.00 175.35 174.14 1q38 n PRO 47 N -0.14 0.91 -0.72 1.78 -0.02 -1.26 -2.42 135.00 133.14 1q38 n PRO 47 Ca -0.14 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 1q38 n PRO 47 Cb 0.63 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 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 1.23 1.19 3.08 -1.23 0.00 -1.26 -4.98 105.19 103.23 1q38 n GLY 48 Ca 0.14 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 0.14 0.00 0.00 0.00 173.32 173.46 1q38 s VAL 49 N -3.31 2.13 0.18 1.61 1.01 -1.02 -5.08 120.40 115.92 1q38 s VAL 49 Ca 0.00 -1.45 -0.10 0.00 0.00 0.00 0.00 61.98 60.43 1q38 s VAL 49 Cb 0.00 -2.16 -0.07 0.00 0.00 0.00 0.00 36.38 34.15 1q38 s VAL 49 CO 0.00 0.12 0.51 -0.69 0.00 0.00 0.00 175.10 175.05 1q38 s VAL 50 N 1.16 4.96 -0.20 2.92 1.01 -1.26 -4.64 120.40 124.33 1q38 s VAL 50 Ca -0.05 0.52 -0.05 0.00 0.00 0.00 0.00 61.98 62.40 1q38 s VAL 50 Cb -0.18 -3.65 0.07 0.00 0.00 0.00 0.00 36.38 32.62 1q38 s VAL 50 CO -0.07 0.07 0.10 -0.31 0.00 0.00 0.00 175.10 174.88 1q38 s TYR 51 N -1.66 0.27 -0.10 5.22 2.02 -1.04 -3.40 117.35 118.67 1q38 s TYR 51 Ca 0.42 -0.49 -0.22 0.00 -0.37 0.00 0.00 57.07 56.42 1q38 s TYR 51 Cb -0.13 -0.77 -0.04 0.00 -0.40 0.00 0.00 41.96 40.63 1q38 s TYR 51 CO 0.21 -0.60 0.65 -2.00 -1.57 0.00 0.00 175.55 172.24 1q38 s GLU 52 N 2.11 4.38 0.08 -0.62 2.56 -1.08 -1.20 118.70 124.94 1q38 s GLU 52 Ca 0.04 0.76 0.09 0.00 0.00 0.00 0.00 54.97 55.85 1q38 s GLU 52 Cb -0.16 -3.47 -0.04 0.00 2.00 0.00 0.00 34.13 32.47 1q38 s GLU 52 CO -0.16 0.03 -0.20 0.20 -0.56 0.00 0.00 175.26 174.56 1q38 s GLY 53 N 0.83 1.60 -0.13 -1.50 0.00 0.75 -2.26 107.32 106.60 1q38 s GLY 53 Ca 0.34 -1.30 -0.02 0.00 0.00 0.00 0.00 44.72 43.74 1q38 s GLY 53 CO 0.15 -1.24 -0.00 1.20 0.00 0.00 0.00 173.10 173.21 1q38 s GLN 54 N -1.77 0.85 -0.45 2.90 -0.21 0.14 -0.69 119.66 120.43 1q38 s GLN 54 Ca 0.15 -0.22 -0.16 0.00 0.02 0.00 0.00 55.36 55.16 1q38 s GLN 54 Cb -0.10 -1.60 0.05 0.00 1.00 0.00 0.00 33.01 32.35 1q38 s GLN 54 CO 0.07 -0.44 0.39 -1.17 -2.12 0.00 0.00 175.29 172.02 1q38 s LEU 55 N 1.85 5.32 -0.27 2.90 2.96 0.41 -1.04 118.68 130.81 1q38 s LEU 55 Ca 0.02 -1.08 -0.04 0.00 -0.22 0.00 0.00 54.13 52.81 1q38 s LEU 55 Cb -0.14 -2.22 0.02 0.00 0.50 0.00 0.00 46.19 44.34 1q38 s LEU 55 CO -0.07 -0.59 -0.00 -0.63 -1.32 0.00 0.00 176.35 173.74 1q38 s ILE 56 N 1.79 3.35 0.05 6.68 1.09 0.82 -1.27 121.20 133.71 1q38 s ILE 56 Ca 0.06 -0.86 -0.28 0.00 -1.10 0.00 0.00 60.65 58.47 1q38 s ILE 56 Cb -0.21 -2.71 -0.05 0.00 -1.06 0.00 0.00 42.46 38.43 1q38 s ILE 56 CO 0.09 0.16 0.88 -0.44 -0.10 0.00 0.00 174.94 175.52 1q38 s SER 57 N 1.40 7.34 -0.07 3.58 0.01 0.20 -1.11 113.70 125.05 1q38 s SER 57 Ca 0.01 1.60 0.05 0.00 1.31 0.00 0.00 55.95 58.93 1q38 s SER 57 Cb -0.17 -2.53 -0.00 0.00 0.21 0.00 0.00 66.02 63.53 1q38 s SER 57 CO -0.01 -0.08 -0.22 -0.63 0.41 0.00 0.00 173.24 172.70 1q38 s ILE 58 N 0.23 1.88 0.29 1.44 1.09 -0.83 0.57 121.20 125.87 1q38 s ILE 58 Ca 0.44 -0.95 0.02 0.00 -1.10 0.00 0.00 60.65 59.07 1q38 s ILE 58 Cb -0.21 -1.61 0.02 0.00 -1.06 0.00 0.00 42.46 39.60 1q38 s ILE 58 CO 0.26 0.52 0.20 1.67 -0.10 0.00 0.00 174.94 177.49 1q38 n GLN 59 N 3.24 1.09 0.26 2.79 7.27 -1.26 -2.60 117.38 128.16 1q38 n GLN 59 Ca -0.18 -1.83 0.17 0.00 0.07 0.00 0.00 57.00 55.23 1q38 n GLN 59 Cb 0.52 0.23 0.91 0.00 2.41 0.00 0.00 30.24 34.31 1q38 n GLN 59 CO 0.00 0.00 0.00 -0.56 0.07 0.00 0.00 177.06 176.57 1q38 h GLN 60 N 0.00 0.00 -0.01 3.69 3.07 -1.97 0.97 115.11 120.86 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 0.67 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.23 1q38 h GLN 60 CO 0.30 0.00 -0.48 0.98 0.09 0.00 0.00 178.83 179.71 1q38 n TYR 61 N -2.72 0.00 -0.20 0.06 9.36 -1.26 -5.09 117.16 117.31 1q38 n TYR 61 Ca -0.02 0.00 0.01 0.00 3.32 0.00 0.00 57.90 61.21 1q38 n TYR 61 Cb 0.08 0.00 -0.00 0.00 -0.63 0.00 0.00 39.34 38.78 1q38 n TYR 61 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1q38 n GLY 62 N 1.30 -2.88 2.67 2.98 0.00 0.33 -5.04 105.19 104.55 1q38 n GLY 62 Ca 0.07 -1.29 -0.04 0.00 0.00 0.00 0.00 46.02 44.76 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 -1.85 -4.09 0.06 1.61 -0.00 -1.26 -4.60 115.22 105.08 1q38 n HIS 63 Ca -0.00 2.27 0.00 0.00 -0.00 0.00 0.00 57.72 59.98 1q38 n HIS 63 Cb 0.07 -3.74 0.00 0.00 -0.00 0.00 0.00 29.99 26.32 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 1.56 0.00 -4.13 1.57 3.00 0.19 -4.76 117.38 114.82 1q38 n GLN 64 Ca -0.31 0.00 -0.15 0.00 -0.01 0.00 0.00 57.00 56.53 1q38 n GLN 64 Cb 0.49 -0.40 -0.13 0.00 0.00 0.00 0.00 30.24 30.20 1q38 n GLN 64 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.06 175.06 1q38 s GLU 65 N -1.93 0.51 -0.14 -1.09 2.12 -0.60 -4.89 118.70 112.69 1q38 s GLU 65 Ca 0.00 -0.51 -0.02 0.00 0.36 0.00 0.00 54.97 54.80 1q38 s GLU 65 Cb 0.00 -0.39 0.05 0.00 0.26 0.00 0.00 34.13 34.04 1q38 s GLU 65 CO 0.00 0.09 0.01 0.08 -0.54 0.00 0.00 175.26 174.90 1q38 s VAL 66 N -0.79 0.53 -0.06 3.70 1.01 -1.26 0.59 120.40 124.12 1q38 s VAL 66 Ca -0.04 -0.30 0.01 0.00 0.00 0.00 0.00 61.98 61.65 1q38 s VAL 66 Cb -0.06 -0.87 0.02 0.00 0.00 0.00 0.00 36.38 35.47 1q38 s VAL 66 CO 0.00 0.01 -0.05 -0.89 0.00 0.00 0.00 175.10 174.17 1q38 s THR 67 N 1.88 0.63 -0.16 3.92 2.01 -0.40 -5.01 115.64 118.51 1q38 s THR 67 Ca 0.02 -0.14 -0.06 0.00 0.31 0.00 0.00 61.69 61.81 1q38 s THR 67 Cb -0.15 -0.66 -0.04 0.00 0.01 0.00 0.00 72.50 71.66 1q38 s THR 67 CO -0.07 0.26 0.06 -0.13 -0.69 0.00 0.00 174.62 174.05 1q38 s ARG 68 N 1.13 3.79 -0.22 4.92 0.52 -1.26 -0.45 118.95 127.38 1q38 s ARG 68 Ca -0.07 -0.34 -0.13 0.00 -0.52 0.00 0.00 55.73 54.66 1q38 s ARG 68 Cb -0.14 -3.14 0.07 0.00 0.52 0.00 0.00 34.95 32.25 1q38 s ARG 68 CO -0.01 0.37 0.55 -0.59 0.02 0.00 0.00 175.30 175.64 1q38 s PHE 69 N 0.08 -0.81 0.14 -0.53 -0.71 0.14 -4.69 117.98 111.60 1q38 s PHE 69 Ca 0.05 1.68 -0.05 0.00 -1.04 0.00 0.00 56.93 57.57 1q38 s PHE 69 Cb -0.12 0.43 -0.06 0.00 -1.21 0.00 0.00 43.02 42.06 1q38 s PHE 69 CO 0.01 -0.42 0.38 -0.51 -1.34 0.00 0.00 175.22 173.33 1q38 s ASP 70 N 1.42 6.50 -0.04 1.98 1.11 -1.26 -0.18 116.67 126.19 1q38 s ASP 70 Ca -0.09 0.60 -0.16 0.00 0.18 0.00 0.00 52.55 53.08 1q38 s ASP 70 Cb -0.07 -2.09 0.03 0.00 1.07 0.00 0.00 42.92 41.86 1q38 s ASP 70 CO -0.15 0.05 0.36 0.72 1.18 0.00 0.00 175.17 177.34 1q38 s PHE 71 N -1.65 -0.27 -0.05 4.23 -0.71 -0.34 -4.85 117.98 114.33 1q38 s PHE 71 Ca 0.41 0.49 -0.13 0.00 -1.04 0.00 0.00 56.93 56.66 1q38 s PHE 71 Cb -0.12 0.14 0.02 0.00 -1.21 0.00 0.00 43.02 41.85 1q38 s PHE 71 CO 0.24 -0.38 0.30 0.95 -1.34 0.00 0.00 175.22 175.00 1q38 s THR 72 N -1.04 0.04 0.07 -4.49 -4.23 -1.26 -2.49 115.64 102.23 1q38 s THR 72 Ca -0.11 -0.31 -0.15 0.00 -1.18 0.00 0.00 61.69 59.95 1q38 s THR 72 Cb -0.04 -0.54 -0.22 0.00 1.34 0.00 0.00 72.50 73.03 1q38 s THR 72 CO 0.04 -0.17 1.19 0.00 -0.54 0.00 0.00 174.62 175.14 1q38 h THR 73 N 4.18 1.30 0.00 3.99 1.03 -1.86 -3.41 112.91 118.14 1q38 h THR 73 Ca -0.28 -2.18 0.00 0.00 -0.01 0.00 0.00 66.41 63.94 1q38 h THR 73 Cb 1.18 2.36 0.00 0.00 -1.07 0.00 0.00 68.15 70.62 1q38 h THR 73 CO 0.36 0.67 -0.41 0.35 -0.01 0.00 0.00 175.52 176.49 1q38 n THR 74 N -3.92 0.00 -0.91 0.00 -2.24 -1.26 -5.03 114.28 100.91 1q38 n THR 74 Ca -0.10 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.62 1q38 n THR 74 Cb 0.83 -0.09 0.04 0.00 -2.10 0.00 0.00 70.33 69.01 1q38 n THR 74 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1q38 n SER 75 N -0.85 -0.55 -3.74 3.42 7.64 -1.26 -4.97 113.62 113.31 1q38 n SER 75 Ca 0.00 -0.88 -0.13 0.00 1.01 0.00 0.00 58.87 58.87 1q38 n SER 75 Cb 0.10 -0.19 -0.14 0.00 -1.01 0.00 0.00 64.21 62.97 1q38 n SER 75 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1q38 s THR 76 N -1.47 -0.04 0.00 0.44 -1.32 -1.26 -4.71 115.64 107.28 1q38 s THR 76 Ca 0.14 0.16 0.02 0.00 -1.21 0.00 0.00 61.69 60.80 1q38 s THR 76 Cb -0.01 -0.31 0.04 0.00 -1.51 0.00 0.00 72.50 70.71 1q38 s THR 76 CO 0.10 0.06 0.85 -0.24 -2.21 0.00 0.00 174.62 173.19 1q38 n SER 77 N 4.16 -0.46 -4.00 8.08 2.88 -1.26 -5.05 113.62 117.97 1q38 n SER 77 Ca -0.25 -1.68 -0.32 0.00 -1.33 0.00 0.00 58.87 55.29 1q38 n SER 77 Cb 0.53 0.13 -0.11 0.00 -0.75 0.00 0.00 64.21 64.00 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 0.00 3.23 -2.00 2.46 -4.23 -1.26 -4.83 115.64 109.01 1q38 s THR 78 Ca 0.03 -3.55 0.11 0.00 -1.18 0.00 0.00 61.69 57.10 1q38 s THR 78 Cb 0.03 -3.13 0.31 0.00 1.34 0.00 0.00 72.50 71.06 1q38 s THR 78 CO -0.01 -0.91 1.28 -0.81 -0.54 0.00 0.00 174.62 173.62 1q38 n PRO 79 N 2.81 0.81 -3.21 3.99 -0.04 -1.26 -4.90 135.00 133.21 1q38 n PRO 79 Ca 0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 1q38 n PRO 79 Cb 0.35 -1.21 0.00 0.00 -0.04 0.00 0.00 33.50 32.60 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 0.45 -1.33 0.31 0.55 0.00 -1.26 -5.00 105.19 98.90 1q38 n GLY 80 Ca 0.08 -0.95 -0.07 0.00 0.00 0.00 0.00 46.02 45.09 1q38 n GLY 80 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1q38 h SER 81 N 0.00 1.01 -5.29 1.61 0.02 -1.99 -3.46 113.55 105.45 1q38 h SER 81 Ca 0.00 -0.24 -0.12 0.00 -0.84 0.00 0.00 61.79 60.59 1q38 h SER 81 Cb 0.00 -0.27 -0.13 0.00 0.14 0.00 0.00 62.40 62.14 1q38 h SER 81 CO 0.00 1.01 -0.37 -0.13 -1.14 0.00 0.00 176.83 176.20 1q38 s ARG 82 N -5.16 1.11 -0.01 3.45 0.52 -1.26 -4.88 118.95 112.72 1q38 s ARG 82 Ca -0.11 -1.21 0.02 0.00 -0.52 0.00 0.00 55.73 53.90 1q38 s ARG 82 Cb 0.14 0.36 0.00 0.00 0.52 0.00 0.00 34.95 35.97 1q38 s ARG 82 CO 0.84 -0.39 -0.06 -1.12 0.02 0.00 0.00 175.30 174.59 1q38 s SER 83 N -2.98 0.78 -0.11 0.23 0.01 -1.26 -4.98 113.70 105.39 1q38 s SER 83 Ca 0.18 -0.12 -0.04 0.00 1.31 0.00 0.00 55.95 57.29 1q38 s SER 83 Cb 0.04 -0.15 0.05 0.00 0.21 0.00 0.00 66.02 66.17 1q38 s SER 83 CO 0.00 0.05 0.11 -1.38 0.41 0.00 0.00 173.24 172.44 1q38 s HIS 84 N 0.05 0.02 -0.05 2.43 -3.43 -1.26 -4.99 115.29 108.06 1q38 s HIS 84 Ca -0.00 0.13 -0.04 0.00 -0.80 0.00 0.00 55.06 54.35 1q38 s HIS 84 Cb -0.05 -0.49 -0.03 0.00 -1.43 0.00 0.00 32.58 30.58 1q38 s HIS 84 CO -0.00 -0.37 -0.09 0.72 -2.00 0.00 0.00 174.74 173.00 1q38 n HIS 85 N 5.30 0.00 -0.14 0.38 8.25 -1.26 -4.97 115.22 122.78 1q38 n HIS 85 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 1q38 n HIS 85 Cb 0.50 -0.22 0.00 0.00 1.12 0.00 0.00 29.99 31.39 1q38 n HIS 85 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1q38 n HIS 86 N -3.40 0.00 0.00 4.41 8.25 -1.26 -5.08 115.22 118.14 1q38 n HIS 86 Ca -0.11 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.35 1q38 n HIS 86 Cb 0.50 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.61 1q38 n HIS 86 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1q38 n HIS 87 N 0.00 0.00 -1.21 4.41 -0.00 -1.26 -4.92 115.22 112.24 1q38 n HIS 87 Ca 0.00 0.00 0.15 0.00 0.46 0.00 0.00 57.72 58.33 1q38 n HIS 87 Cb 0.00 0.00 -0.06 0.00 -0.12 0.00 0.00 29.99 29.81 1q38 n HIS 87 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 1q38 n HIS 88 N 0.00 -3.16 1.02 1.57 -0.00 -1.26 -5.23 115.22 108.16 1q38 n HIS 88 Ca 0.00 1.67 0.12 0.00 0.46 0.00 0.00 57.72 59.97 1q38 n HIS 88 Cb 0.00 -2.87 0.12 0.00 -0.12 0.00 0.00 29.99 27.12 1q38 n HIS 88 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52