#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 3.63 0.00 2.12 3.00 -1.26 -4.98 118.95 121.47 1q38 s ARG 2 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 55.73 55.19 1q38 s ARG 2 Cb 0.00 -3.75 0.00 0.00 0.00 0.00 0.00 34.95 31.20 1q38 s ARG 2 CO 0.00 -0.36 0.00 0.41 0.00 0.00 0.00 175.30 175.35 1q38 n GLY 3 N 5.09 3.74 2.74 -3.53 0.00 -1.26 -5.13 105.19 106.84 1q38 n GLY 3 Ca -0.13 -0.28 -0.29 0.00 0.00 0.00 0.00 46.02 45.32 1q38 n GLY 3 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1q38 s SER 4 N 1.46 3.52 0.51 1.61 0.15 -1.26 -4.98 113.70 114.71 1q38 s SER 4 Ca 0.00 -1.24 0.30 0.00 0.70 0.00 0.00 55.95 55.71 1q38 s SER 4 Cb 0.00 -0.75 1.27 0.00 -1.71 0.00 0.00 66.02 64.82 1q38 s SER 4 CO 0.00 -0.35 1.96 -0.55 1.20 0.00 0.00 173.24 175.49 1q38 h ASN 5 N 8.16 0.00 -5.16 5.45 7.08 -2.00 -3.48 115.58 125.62 1q38 h ASN 5 Ca -0.15 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.07 1q38 h ASN 5 Cb 1.06 0.00 -0.05 0.00 -2.08 0.00 0.00 38.32 37.26 1q38 h ASN 5 CO 0.41 0.09 -1.20 0.00 -2.08 0.00 0.00 177.43 174.65 1q38 n ALA 6 N -2.16 -3.47 -1.70 4.14 0.00 -1.26 -4.86 120.51 111.20 1q38 n ALA 6 Ca 0.00 1.16 -0.44 0.00 0.00 0.00 0.00 53.44 54.16 1q38 n ALA 6 Cb 0.33 -2.30 -0.03 0.00 0.00 0.00 0.00 19.45 17.45 1q38 n ALA 6 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1q38 n PRO 7 N 1.12 2.44 -2.85 0.00 -0.04 -1.26 -4.81 135.00 129.60 1q38 n PRO 7 Ca -0.15 0.88 -0.12 0.00 -0.04 0.00 0.00 63.50 64.07 1q38 n PRO 7 Cb 0.25 -2.66 0.03 0.00 -0.04 0.00 0.00 33.50 31.08 1q38 n PRO 7 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1q38 n GLN 8 N 3.23 0.83 0.00 0.54 10.64 -1.26 -3.80 117.38 127.56 1q38 n GLN 8 Ca 0.15 -2.12 0.00 0.00 -1.83 0.00 0.00 57.00 53.19 1q38 n GLN 8 Cb 0.32 -1.35 0.00 0.00 -0.86 0.00 0.00 30.24 28.35 1q38 n GLN 8 CO 0.00 0.00 0.00 -2.30 -1.83 0.00 0.00 177.06 172.93 1q38 n PRO 9 N 1.27 0.00 0.00 2.61 -0.02 -1.26 -4.75 135.00 132.85 1q38 n PRO 9 Ca 0.11 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 1q38 n PRO 9 Cb 0.63 -1.04 0.00 0.00 -0.02 0.00 0.00 33.50 33.07 1q38 n PRO 9 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1q38 n SER 10 N -1.59 0.45 0.00 2.55 7.64 -1.26 -4.99 113.62 116.43 1q38 n SER 10 Ca 0.00 -1.05 0.00 0.00 1.01 0.00 0.00 58.87 58.83 1q38 n SER 10 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1q38 n SER 10 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1q38 n HIS 11 N -0.02 0.00 -4.08 1.43 8.25 -1.26 -4.95 115.22 114.59 1q38 n HIS 11 Ca 0.00 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.15 1q38 n HIS 11 Cb 0.18 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.22 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 4.58 0.03 1.59 1.10 -1.26 -5.02 121.20 122.22 1q38 s ILE 12 Ca 0.00 -0.63 -0.18 0.00 -0.51 0.00 0.00 60.65 59.32 1q38 s ILE 12 Cb 0.00 -3.16 -0.22 0.00 0.15 0.00 0.00 42.46 39.23 1q38 s ILE 12 CO 0.00 0.21 1.15 0.28 -2.11 0.00 0.00 174.94 174.47 1q38 h SER 13 N 3.62 0.62 -2.93 4.50 0.02 -1.78 -3.40 113.55 114.20 1q38 h SER 13 Ca -0.48 -0.73 0.17 0.00 -0.84 0.00 0.00 61.79 59.92 1q38 h SER 13 Cb 1.17 -0.19 -0.29 0.00 0.14 0.00 0.00 62.40 63.23 1q38 h SER 13 CO 0.64 1.27 0.79 -1.59 -1.14 0.00 0.00 176.83 176.80 1q38 s LYS 14 N -3.34 0.21 0.07 3.45 -2.85 -1.13 -4.80 119.74 111.35 1q38 s LYS 14 Ca -0.12 0.14 0.01 0.00 -1.00 0.00 0.00 55.97 54.99 1q38 s LYS 14 Cb 0.05 0.10 -0.04 0.00 -2.06 0.00 0.00 37.83 35.88 1q38 s LYS 14 CO 0.84 -0.05 0.19 0.71 0.10 0.00 0.00 175.35 177.15 1q38 s TYR 15 N -0.47 3.47 -0.12 1.78 2.02 -1.00 -0.20 117.35 122.83 1q38 s TYR 15 Ca 0.06 0.22 0.01 0.00 -0.37 0.00 0.00 57.07 56.99 1q38 s TYR 15 Cb -0.03 -1.74 0.02 0.00 -0.40 0.00 0.00 41.96 39.81 1q38 s TYR 15 CO -0.09 0.58 -0.15 0.42 -1.57 0.00 0.00 175.55 174.74 1q38 s ILE 16 N -1.50 1.52 -0.29 2.71 -1.09 0.14 -1.66 121.20 121.03 1q38 s ILE 16 Ca 0.34 -0.63 -0.06 0.00 -2.23 0.00 0.00 60.65 58.07 1q38 s ILE 16 Cb -0.13 -1.41 0.02 0.00 -1.58 0.00 0.00 42.46 39.36 1q38 s ILE 16 CO 0.27 0.45 0.05 -0.22 -1.23 0.00 0.00 174.94 174.26 1q38 s LEU 17 N 1.19 3.78 -0.13 2.97 0.20 -0.20 -0.23 118.68 126.25 1q38 s LEU 17 Ca -0.02 -0.82 -0.01 0.00 0.69 0.00 0.00 54.13 53.98 1q38 s LEU 17 Cb -0.14 -1.83 -0.02 0.00 -0.43 0.00 0.00 46.19 43.77 1q38 s LEU 17 CO -0.05 -0.20 -0.12 -0.13 -0.29 0.00 0.00 176.35 175.56 1q38 s ARG 18 N 1.44 3.41 0.01 1.98 0.52 -0.34 -1.06 118.95 124.93 1q38 s ARG 18 Ca 0.01 -0.67 -0.02 0.00 -0.52 0.00 0.00 55.73 54.54 1q38 s ARG 18 Cb -0.17 -2.67 -0.01 0.00 0.52 0.00 0.00 34.95 32.61 1q38 s ARG 18 CO 0.01 0.21 0.02 1.67 0.02 0.00 0.00 175.30 177.22 1q38 s TRP 19 N 0.38 0.18 -0.09 -0.53 -2.14 -1.07 -1.23 118.94 114.45 1q38 s TRP 19 Ca -0.10 -0.38 -0.29 0.00 2.66 0.00 0.00 56.10 57.99 1q38 s TRP 19 Cb -0.16 -0.14 0.07 0.00 -3.10 0.00 0.00 33.47 30.14 1q38 s TRP 19 CO 0.05 -0.20 0.66 0.50 -2.66 0.00 0.00 176.95 175.30 1q38 s ARG 20 N -1.34 0.99 -0.14 3.25 3.00 -1.06 -1.63 118.95 122.01 1q38 s ARG 20 Ca -0.15 0.37 -0.31 0.00 -1.00 0.00 0.00 55.73 54.65 1q38 s ARG 20 Cb -0.09 0.47 -0.08 0.00 0.00 0.00 0.00 34.95 35.25 1q38 s ARG 20 CO -0.00 -0.27 2.09 -2.30 0.00 0.00 0.00 175.30 174.81 1q38 n PRO 21 N 1.30 2.14 0.18 5.12 -0.02 -1.26 0.00 135.00 142.45 1q38 n PRO 21 Ca -0.18 0.70 0.05 0.00 -2.02 0.00 0.00 63.50 62.05 1q38 n PRO 21 Cb 0.57 -2.96 0.24 0.00 -0.02 0.00 0.00 33.50 31.32 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 12.38 0.00 0.11 -0.52 1.57 -1.32 -3.24 116.57 125.54 1q38 h LYS 22 Ca -0.43 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.03 1q38 h LYS 22 Cb 1.26 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.55 1q38 h LYS 22 CO 0.96 0.39 -1.65 -0.97 -0.57 0.00 0.00 179.45 177.61 1q38 h ASN 23 N 0.00 0.35 -4.98 0.86 -0.00 -1.88 -3.48 115.58 106.46 1q38 h ASN 23 Ca -0.00 -0.55 -0.32 0.00 -0.00 0.00 0.00 56.30 55.42 1q38 h ASN 23 Cb 1.06 -0.11 -0.02 0.00 -0.00 0.00 0.00 38.32 39.25 1q38 h ASN 23 CO 0.05 1.47 -0.13 -0.24 -0.00 0.00 0.00 177.43 178.58 1q38 n SER 24 N -3.41 1.82 -4.24 1.15 2.88 -1.22 -5.13 113.62 105.48 1q38 n SER 24 Ca -0.20 -2.04 -0.32 0.00 -1.33 0.00 0.00 58.87 54.99 1q38 n SER 24 Cb 1.05 -0.07 -0.17 0.00 -0.75 0.00 0.00 64.21 64.27 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 -1.44 2.05 0.00 2.46 0.11 -1.26 -4.69 120.40 117.63 1q38 s VAL 25 Ca 0.21 -1.04 0.00 0.00 -2.93 0.00 0.00 61.98 58.23 1q38 s VAL 25 Cb -0.02 -1.76 0.00 0.00 -1.53 0.00 0.00 36.38 33.07 1q38 s VAL 25 CO 0.14 0.56 0.00 0.61 -3.33 0.00 0.00 175.10 173.08 1q38 n GLY 26 N 3.28 1.06 3.88 6.54 0.00 -1.26 -5.05 105.19 113.63 1q38 n GLY 26 Ca -0.18 -0.76 -0.32 0.00 0.00 0.00 0.00 46.02 44.76 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 -0.65 3.76 1.10 1.61 1.81 -1.26 -4.98 118.95 120.35 1q38 s ARG 27 Ca 0.00 0.20 -0.18 0.00 -1.72 0.00 0.00 55.73 54.03 1q38 s ARG 27 Cb 0.00 -2.69 0.25 0.00 -0.45 0.00 0.00 34.95 32.06 1q38 s ARG 27 CO 0.00 0.35 1.19 -1.58 -0.68 0.00 0.00 175.30 174.58 1q38 s TRP 28 N -1.79 0.98 0.06 -0.53 0.52 -1.26 -4.82 118.94 112.09 1q38 s TRP 28 Ca 0.46 0.44 0.01 0.00 0.02 0.00 0.00 56.10 57.03 1q38 s TRP 28 Cb -0.11 -3.70 -0.03 0.00 -1.15 0.00 0.00 33.47 28.47 1q38 s TRP 28 CO 0.22 -3.36 -0.06 0.15 0.02 0.00 0.00 176.95 173.92 1q38 s LYS 29 N -5.59 0.60 -0.03 4.98 1.02 -0.65 -4.95 119.74 115.13 1q38 s LYS 29 Ca 0.72 -0.98 0.02 0.00 0.02 0.00 0.00 55.97 55.74 1q38 s LYS 29 Cb -0.08 -0.13 0.01 0.00 -0.52 0.00 0.00 37.83 37.12 1q38 s LYS 29 CO 0.55 -0.01 -0.07 -1.83 -0.92 0.00 0.00 175.35 173.07 1q38 s GLU 30 N -2.60 0.85 -0.16 1.68 4.04 -1.25 -2.58 118.70 118.68 1q38 s GLU 30 Ca -0.02 -0.20 -0.04 0.00 0.04 0.00 0.00 54.97 54.75 1q38 s GLU 30 Cb -0.03 -0.82 0.06 0.00 0.02 0.00 0.00 34.13 33.36 1q38 s GLU 30 CO -0.03 0.02 0.06 0.00 -1.84 0.00 0.00 175.26 173.48 1q38 s ALA 31 N 0.49 0.62 -0.00 -0.84 0.00 -0.22 -4.93 121.76 116.88 1q38 s ALA 31 Ca -0.07 -0.39 -0.18 0.00 0.00 0.00 0.00 51.96 51.32 1q38 s ALA 31 Cb -0.11 -1.03 -0.06 0.00 0.00 0.00 0.00 23.12 21.93 1q38 s ALA 31 CO 0.00 -1.07 0.52 0.99 0.00 0.00 0.00 175.76 176.20 1q38 s THR 32 N 2.03 4.94 -0.24 0.00 2.01 -1.25 -1.04 115.64 122.09 1q38 s THR 32 Ca 0.01 1.09 -0.04 0.00 0.31 0.00 0.00 61.69 63.06 1q38 s THR 32 Cb -0.16 -3.85 0.09 0.00 0.01 0.00 0.00 72.50 68.59 1q38 s THR 32 CO -0.08 0.48 0.12 -0.63 -0.69 0.00 0.00 174.62 173.82 1q38 s ILE 33 N -0.53 -0.08 -0.05 1.82 1.01 -0.66 -4.91 121.20 117.80 1q38 s ILE 33 Ca 0.28 -0.53 -0.30 0.00 0.00 0.00 0.00 60.65 60.10 1q38 s ILE 33 Cb -0.18 -0.82 -0.02 0.00 0.01 0.00 0.00 42.46 41.45 1q38 s ILE 33 CO 0.16 -0.56 1.02 -2.84 0.00 0.00 0.00 174.94 172.72 1q38 s PRO 34 N 2.12 4.47 0.00 2.79 0.02 -1.26 -2.38 135.00 140.76 1q38 s PRO 34 Ca 0.06 1.44 0.00 0.00 0.02 0.00 0.00 61.00 62.53 1q38 s PRO 34 Cb -0.16 -3.50 0.00 0.00 0.02 0.00 0.00 34.50 30.86 1q38 s PRO 34 CO -0.26 -0.22 0.00 0.41 -0.33 0.00 0.00 177.00 176.60 1q38 n GLY 35 N 3.05 0.57 2.64 0.52 0.00 -1.25 -4.41 105.19 106.31 1q38 n GLY 35 Ca 0.08 -1.82 -0.41 0.00 0.00 0.00 0.00 46.02 43.87 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 0.75 3.14 1.61 1.61 1.44 -1.26 -4.62 115.22 117.90 1q38 n HIS 36 Ca 0.00 -2.97 0.15 0.00 -2.01 0.00 0.00 57.72 52.88 1q38 n HIS 36 Cb 0.00 -2.42 0.80 0.00 0.12 0.00 0.00 29.99 28.49 1q38 n HIS 36 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1q38 n LEU 37 N 4.95 0.00 0.00 2.39 4.77 -1.26 -5.00 117.00 122.85 1q38 n LEU 37 Ca 0.57 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.70 1q38 n LEU 37 Cb 0.34 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1q38 n LEU 37 CO 0.87 -0.01 0.00 -0.46 -1.33 0.00 0.00 177.39 176.46 1q38 n ASN 38 N -1.14 0.00 -4.61 -1.43 6.94 -1.26 -4.95 115.26 108.80 1q38 n ASN 38 Ca 0.18 0.00 -0.43 0.00 -0.02 0.00 0.00 54.58 54.31 1q38 n ASN 38 Cb 0.17 0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 37.56 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 0.00 6.56 -0.31 0.53 0.01 -1.26 -5.00 113.70 114.23 1q38 s SER 39 Ca 0.00 0.82 -0.14 0.00 1.31 0.00 0.00 55.95 57.94 1q38 s SER 39 Cb 0.00 -2.54 -0.03 0.00 0.21 0.00 0.00 66.02 63.66 1q38 s SER 39 CO 0.00 -1.25 0.32 -0.47 0.41 0.00 0.00 173.24 172.25 1q38 s TYR 40 N 4.73 3.22 0.01 2.43 6.14 -1.26 -5.07 117.35 127.56 1q38 s TYR 40 Ca 0.55 0.10 0.05 0.00 0.64 0.00 0.00 57.07 58.41 1q38 s TYR 40 Cb -0.12 -2.57 -0.02 0.00 0.42 0.00 0.00 41.96 39.68 1q38 s TYR 40 CO 0.29 -0.32 -0.17 -0.08 0.64 0.00 0.00 175.55 175.91 1q38 s THR 41 N 1.95 1.33 -0.32 4.34 -1.32 -1.26 -5.10 115.64 115.26 1q38 s THR 41 Ca 0.11 -0.86 -0.18 0.00 -1.21 0.00 0.00 61.69 59.54 1q38 s THR 41 Cb -0.16 -1.14 -0.01 0.00 -1.51 0.00 0.00 72.50 69.68 1q38 s THR 41 CO 0.11 0.26 0.53 -0.63 -2.21 0.00 0.00 174.62 172.68 1q38 s ILE 42 N -0.56 5.01 -0.34 5.08 1.09 -1.26 -4.95 121.20 125.28 1q38 s ILE 42 Ca 0.06 0.57 0.06 0.00 -1.10 0.00 0.00 60.65 60.24 1q38 s ILE 42 Cb -0.07 -3.93 0.45 0.00 -1.06 0.00 0.00 42.46 37.84 1q38 s ILE 42 CO 0.00 -0.13 1.19 0.29 -0.10 0.00 0.00 174.94 176.20 1q38 n LYS 43 N 5.73 3.55 -0.39 2.79 5.02 -1.26 -4.70 118.16 128.90 1q38 n LYS 43 Ca -0.04 -4.23 0.11 0.00 -2.02 0.00 0.00 58.31 52.14 1q38 n LYS 43 Cb 0.49 -2.27 0.32 0.00 -0.02 0.00 0.00 35.03 33.55 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 -0.66 2.55 3.91 0.72 0.00 -1.26 -4.51 105.19 105.93 1q38 n GLY 44 Ca 0.43 -0.78 -0.28 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.08 2.96 -0.08 0.99 2.01 -1.26 -5.00 118.68 117.21 1q38 s LEU 45 Ca 0.48 0.82 -0.15 0.00 0.01 0.00 0.00 54.13 55.29 1q38 s LEU 45 Cb 0.26 -3.56 -0.05 0.00 0.01 0.00 0.00 46.19 42.85 1q38 s LEU 45 CO 0.32 -1.35 0.38 -1.59 1.01 0.00 0.00 176.35 175.12 1q38 s LYS 46 N -5.23 4.09 -0.31 1.70 0.00 -1.26 -3.36 119.74 115.36 1q38 s LYS 46 Ca 0.57 0.31 -0.42 0.00 0.00 0.00 0.00 55.97 56.43 1q38 s LYS 46 Cb -0.11 -3.33 -0.19 0.00 0.00 0.00 0.00 37.83 34.21 1q38 s LYS 46 CO 0.48 0.44 1.35 -2.30 0.00 0.00 0.00 175.35 175.32 1q38 n PRO 47 N 2.76 0.00 0.00 1.78 -0.02 -1.26 -3.18 135.00 135.08 1q38 n PRO 47 Ca -0.12 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.36 1q38 n PRO 47 Cb 0.52 -1.42 0.00 0.00 -0.02 0.00 0.00 33.50 32.58 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 2.99 1.23 3.25 -1.23 0.00 -1.26 -5.02 105.19 105.15 1q38 n GLY 48 Ca 0.26 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.00 1.90 -0.10 1.61 1.01 -1.19 -5.06 120.40 116.57 1q38 s VAL 49 Ca 0.00 -0.99 0.02 0.00 0.00 0.00 0.00 61.98 61.01 1q38 s VAL 49 Cb 0.00 -1.60 -0.02 0.00 0.00 0.00 0.00 36.38 34.77 1q38 s VAL 49 CO 0.00 0.53 -0.16 0.54 0.00 0.00 0.00 175.10 176.01 1q38 s VAL 50 N -0.24 2.85 0.17 2.92 0.11 -1.26 -2.11 120.40 122.83 1q38 s VAL 50 Ca 0.00 -0.76 0.01 0.00 -2.93 0.00 0.00 61.98 58.30 1q38 s VAL 50 Cb -0.12 -2.15 0.01 0.00 -1.53 0.00 0.00 36.38 32.59 1q38 s VAL 50 CO 0.02 0.55 0.05 -1.22 -3.33 0.00 0.00 175.10 171.17 1q38 n TYR 51 N 3.14 -0.22 -4.74 1.54 4.02 0.43 -1.08 117.16 120.26 1q38 n TYR 51 Ca -0.18 -0.79 -0.27 0.00 -0.01 0.00 0.00 57.90 56.65 1q38 n TYR 51 Cb 0.53 -0.12 -0.17 0.00 -0.02 0.00 0.00 39.34 39.56 1q38 n TYR 51 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 1q38 s GLU 52 N -2.65 2.11 -0.21 -0.72 -6.30 0.10 -2.22 118.70 108.81 1q38 s GLU 52 Ca 0.04 -0.55 -0.01 0.00 -2.50 0.00 0.00 54.97 51.94 1q38 s GLU 52 Cb -0.00 -1.69 0.01 0.00 0.00 0.00 0.00 34.13 32.45 1q38 s GLU 52 CO 0.02 0.06 -0.11 0.20 0.02 0.00 0.00 175.26 175.45 1q38 s GLY 53 N 0.62 1.54 -0.16 -1.50 0.00 -0.77 -2.57 107.32 104.48 1q38 s GLY 53 Ca -0.15 -1.28 -0.02 0.00 0.00 0.00 0.00 44.72 43.28 1q38 s GLY 53 CO 0.05 0.40 -0.00 1.62 0.00 0.00 0.00 173.10 175.17 1q38 s GLN 54 N 1.36 0.93 -0.42 2.90 0.74 -0.37 -0.61 119.66 124.19 1q38 s GLN 54 Ca 0.04 -0.36 -0.12 0.00 0.05 0.00 0.00 55.36 54.97 1q38 s GLN 54 Cb -0.15 -1.85 0.06 0.00 1.10 0.00 0.00 33.01 32.17 1q38 s GLN 54 CO -0.07 -0.50 0.29 -1.17 -0.55 0.00 0.00 175.29 173.29 1q38 s LEU 55 N 1.79 5.19 -0.13 3.68 2.96 -0.05 -1.19 118.68 130.94 1q38 s LEU 55 Ca 0.01 -1.27 -0.07 0.00 -0.22 0.00 0.00 54.13 52.58 1q38 s LEU 55 Cb -0.15 -2.07 -0.04 0.00 0.50 0.00 0.00 46.19 44.42 1q38 s LEU 55 CO -0.07 -0.53 0.13 -0.63 -1.32 0.00 0.00 176.35 173.93 1q38 s ILE 56 N 1.55 5.41 0.18 6.68 1.09 0.68 -1.13 121.20 135.65 1q38 s ILE 56 Ca 0.03 0.17 -0.05 0.00 -1.10 0.00 0.00 60.65 59.71 1q38 s ILE 56 Cb -0.22 -3.37 -0.06 0.00 -1.06 0.00 0.00 42.46 37.76 1q38 s ILE 56 CO 0.05 0.60 0.42 -0.44 -0.10 0.00 0.00 174.94 175.46 1q38 s SER 57 N -0.83 6.49 -0.10 3.58 0.01 0.45 0.28 113.70 123.57 1q38 s SER 57 Ca 0.14 0.61 0.02 0.00 1.31 0.00 0.00 55.95 58.03 1q38 s SER 57 Cb -0.12 -2.10 -0.01 0.00 0.21 0.00 0.00 66.02 64.00 1q38 s SER 57 CO 0.03 -0.00 -0.18 -0.63 0.41 0.00 0.00 173.24 172.87 1q38 s ILE 58 N -1.75 2.66 0.34 1.44 1.01 0.73 -2.22 121.20 123.41 1q38 s ILE 58 Ca 0.42 -0.82 0.00 0.00 0.00 0.00 0.00 60.65 60.25 1q38 s ILE 58 Cb -0.12 -2.07 0.00 0.00 0.01 0.00 0.00 42.46 40.29 1q38 s ILE 58 CO 0.25 0.55 0.03 0.00 0.00 0.00 0.00 174.94 175.77 1q38 n GLN 59 N 3.31 1.16 0.24 2.79 10.64 -1.26 -2.06 117.38 132.19 1q38 n GLN 59 Ca -0.18 -2.43 0.13 0.00 -1.83 0.00 0.00 57.00 52.69 1q38 n GLN 59 Cb 0.53 0.60 0.40 0.00 -0.86 0.00 0.00 30.24 30.91 1q38 n GLN 59 CO 0.00 0.00 0.00 -0.56 -1.83 0.00 0.00 177.06 174.67 1q38 h GLN 60 N 0.00 0.00 -0.01 2.61 3.07 -1.99 -2.93 115.11 115.86 1q38 h GLN 60 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.47 1q38 h GLN 60 Cb 0.84 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.40 1q38 h GLN 60 CO 0.45 0.05 -0.44 0.66 0.09 0.00 0.00 178.83 179.64 1q38 n TYR 61 N -3.13 0.00 -0.06 0.06 4.02 -1.26 -5.10 117.16 111.69 1q38 n TYR 61 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.91 1q38 n TYR 61 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.76 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 1.24 -3.07 2.14 2.72 0.00 -1.11 -5.03 105.19 102.08 1q38 n GLY 62 Ca 0.06 -1.14 -0.03 0.00 0.00 0.00 0.00 46.02 44.92 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 -0.95 -1.75 -0.02 1.61 -0.00 -1.26 -4.77 115.22 108.08 1q38 n HIS 63 Ca 0.00 0.72 -0.02 0.00 -0.00 0.00 0.00 57.72 58.42 1q38 n HIS 63 Cb 0.00 -2.76 -0.01 0.00 -0.00 0.00 0.00 29.99 27.23 1q38 n HIS 63 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 176.34 177.28 1q38 n GLN 64 N -0.27 0.11 -3.74 1.57 7.27 -0.94 -4.87 117.38 116.50 1q38 n GLN 64 Ca 0.05 0.04 -0.16 0.00 0.07 0.00 0.00 57.00 57.00 1q38 n GLN 64 Cb 0.18 -0.66 -0.16 0.00 2.41 0.00 0.00 30.24 32.01 1q38 n GLN 64 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 1q38 s GLU 65 N -1.41 -0.03 -0.05 3.69 2.56 -1.25 -4.92 118.70 117.28 1q38 s GLU 65 Ca -0.06 0.26 0.05 0.00 0.00 0.00 0.00 54.97 55.22 1q38 s GLU 65 Cb 0.01 -0.30 -0.02 0.00 2.00 0.00 0.00 34.13 35.82 1q38 s GLU 65 CO 0.09 -0.21 -0.18 0.08 -0.56 0.00 0.00 175.26 174.48 1q38 s VAL 66 N 1.36 2.69 -0.02 3.70 1.01 -1.26 0.17 120.40 128.06 1q38 s VAL 66 Ca -0.06 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.08 1q38 s VAL 66 Cb -0.13 -2.03 0.01 0.00 0.00 0.00 0.00 36.38 34.24 1q38 s VAL 66 CO -0.03 0.58 -0.01 -0.89 0.00 0.00 0.00 175.10 174.74 1q38 s THR 67 N -0.51 0.19 0.00 3.92 2.01 -0.29 -5.00 115.64 115.96 1q38 s THR 67 Ca 0.07 0.00 0.04 0.00 0.31 0.00 0.00 61.69 62.11 1q38 s THR 67 Cb -0.11 -0.23 -0.03 0.00 0.01 0.00 0.00 72.50 72.13 1q38 s THR 67 CO 0.01 0.11 -0.08 -0.13 -0.69 0.00 0.00 174.62 173.83 1q38 s ARG 68 N 0.56 2.50 0.15 4.92 0.52 -1.26 -0.87 118.95 125.48 1q38 s ARG 68 Ca -0.05 -0.74 -0.18 0.00 -0.52 0.00 0.00 55.73 54.23 1q38 s ARG 68 Cb -0.08 -2.46 0.04 0.00 0.52 0.00 0.00 34.95 32.96 1q38 s ARG 68 CO -0.01 0.60 0.48 -0.59 0.02 0.00 0.00 175.30 175.80 1q38 s PHE 69 N -0.96 -0.27 0.17 -0.53 -0.12 0.22 -4.99 117.98 111.50 1q38 s PHE 69 Ca 0.16 -0.03 -0.10 0.00 -0.05 0.00 0.00 56.93 56.91 1q38 s PHE 69 Cb -0.11 0.37 -0.07 0.00 -0.63 0.00 0.00 43.02 42.58 1q38 s PHE 69 CO 0.07 -0.79 0.50 0.16 -0.05 0.00 0.00 175.22 175.11 1q38 s ASP 70 N -2.81 6.65 0.02 1.98 -4.77 -1.26 -1.84 116.67 114.64 1q38 s ASP 70 Ca 0.04 0.89 0.09 0.00 -3.30 0.00 0.00 52.55 50.26 1q38 s ASP 70 Cb 0.00 -2.21 -0.02 0.00 -1.09 0.00 0.00 42.92 39.60 1q38 s ASP 70 CO -0.10 0.03 -0.26 0.12 0.70 0.00 0.00 175.17 175.65 1q38 s PHE 71 N -1.64 2.31 0.21 2.11 2.19 -0.94 -4.72 117.98 117.50 1q38 s PHE 71 Ca 0.42 -0.42 -0.11 0.00 0.33 0.00 0.00 56.93 57.14 1q38 s PHE 71 Cb -0.13 -1.43 -0.01 0.00 -1.31 0.00 0.00 43.02 40.15 1q38 s PHE 71 CO 0.21 0.05 0.40 0.95 1.83 0.00 0.00 175.22 178.65 1q38 s THR 72 N -0.71 0.02 0.00 0.12 -4.23 -1.26 -0.43 115.64 109.15 1q38 s THR 72 Ca 0.11 -1.39 0.00 0.00 -1.18 0.00 0.00 61.69 59.23 1q38 s THR 72 Cb -0.10 -2.06 0.00 0.00 1.34 0.00 0.00 72.50 71.68 1q38 s THR 72 CO 0.01 -0.10 0.00 0.35 -0.54 0.00 0.00 174.62 174.34 1q38 n THR 73 N -0.32 0.00 0.27 3.99 -2.24 -0.90 -4.83 114.28 110.25 1q38 n THR 73 Ca -0.04 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.79 1q38 n THR 73 Cb 0.63 0.00 0.20 0.00 -2.10 0.00 0.00 70.33 69.06 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 0.00 1.42 -0.67 4.28 -2.24 -1.21 -4.76 114.28 111.10 1q38 n THR 74 Ca 0.00 0.38 -0.30 0.00 -2.27 0.00 0.00 64.05 61.86 1q38 n THR 74 Cb 0.00 -1.25 0.20 0.00 -2.10 0.00 0.00 70.33 67.17 1q38 n THR 74 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1q38 s SER 75 N -3.11 2.22 -0.62 3.42 0.15 -1.26 -4.95 113.70 109.54 1q38 s SER 75 Ca 0.03 1.91 -0.19 0.00 0.70 0.00 0.00 55.95 58.41 1q38 s SER 75 Cb 0.05 -2.46 0.11 0.00 -1.71 0.00 0.00 66.02 62.02 1q38 s SER 75 CO 0.16 -3.50 0.73 -0.89 1.20 0.00 0.00 173.24 170.94 1q38 s THR 76 N -2.59 4.87 -0.10 6.45 2.01 -1.26 -4.68 115.64 120.33 1q38 s THR 76 Ca 0.67 -1.13 0.04 0.00 0.31 0.00 0.00 61.69 61.58 1q38 s THR 76 Cb -0.23 -4.50 0.12 0.00 0.01 0.00 0.00 72.50 67.90 1q38 s THR 76 CO 0.60 -1.14 0.89 -1.20 -0.69 0.00 0.00 174.62 173.08 1q38 n SER 77 N 6.18 -0.78 -3.96 3.53 7.64 -1.26 -5.07 113.62 119.89 1q38 n SER 77 Ca -0.06 -1.51 -0.31 0.00 1.01 0.00 0.00 58.87 58.00 1q38 n SER 77 Cb 0.43 0.31 -0.12 0.00 -1.01 0.00 0.00 64.21 63.81 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 0.04 2.94 0.00 0.44 -4.23 -1.26 -4.81 115.64 108.76 1q38 s THR 78 Ca 0.03 -3.61 0.00 0.00 -1.18 0.00 0.00 61.69 56.93 1q38 s THR 78 Cb 0.13 -2.97 0.00 0.00 1.34 0.00 0.00 72.50 71.01 1q38 s THR 78 CO -0.04 -0.89 0.00 -0.81 -0.54 0.00 0.00 174.62 172.34 1q38 n PRO 79 N 2.75 1.21 -0.02 3.99 -0.04 -1.26 -5.04 135.00 136.60 1q38 n PRO 79 Ca 0.11 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.56 1q38 n PRO 79 Cb 0.34 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.80 1q38 n PRO 79 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1q38 h GLY 80 N 0.00 0.00 0.00 0.55 0.00 -1.90 -3.51 103.07 98.21 1q38 h GLY 80 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1q38 h GLY 80 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 176.54 177.98 1q38 n SER 81 N -2.83 0.00 0.00 0.19 7.64 -1.26 -4.99 113.62 112.36 1q38 n SER 81 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.87 1q38 n SER 81 Cb 0.04 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 1q38 n SER 81 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1q38 n ARG 82 N 0.00 1.59 0.00 1.43 1.74 -1.26 -4.91 116.66 115.25 1q38 n ARG 82 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1q38 n ARG 82 Cb 0.00 -0.13 0.00 0.00 -1.02 0.00 0.00 32.46 31.31 1q38 n ARG 82 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1q38 n SER 83 N 0.00 0.00 -3.37 0.55 7.64 -1.26 -4.95 113.62 112.23 1q38 n SER 83 Ca 0.00 -0.89 -0.36 0.00 1.01 0.00 0.00 58.87 58.62 1q38 n SER 83 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1q38 n SER 83 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1q38 n HIS 84 N 0.00 3.19 0.00 1.43 8.25 -1.26 -4.95 115.22 121.89 1q38 n HIS 84 Ca 0.00 -3.00 0.00 0.00 -0.26 0.00 0.00 57.72 54.46 1q38 n HIS 84 Cb 0.22 -0.96 0.00 0.00 1.12 0.00 0.00 29.99 30.37 1q38 n HIS 84 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1q38 n HIS 85 N -0.15 0.00 -4.21 4.41 1.44 -1.26 -4.31 115.22 111.14 1q38 n HIS 85 Ca 0.42 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 56.13 1q38 n HIS 85 Cb 0.31 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.42 1q38 n HIS 85 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 1q38 n HIS 86 N 0.00 -1.41 -3.12 -1.40 -0.00 -1.26 -4.88 115.22 103.15 1q38 n HIS 86 Ca 0.00 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.08 1q38 n HIS 86 Cb 0.00 0.22 0.01 0.00 -0.12 0.00 0.00 29.99 30.09 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 -0.96 -3.03 -0.16 1.57 -0.00 -1.26 -4.95 115.22 106.42 1q38 n HIS 87 Ca 0.00 1.20 0.00 0.00 -0.00 0.00 0.00 57.72 58.92 1q38 n HIS 87 Cb 0.00 -3.71 0.00 0.00 -0.00 0.00 0.00 29.99 26.28 1q38 n HIS 87 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1q38 n HIS 88 N -1.17 0.00 -1.37 1.57 -0.00 -1.26 -5.14 115.22 107.84 1q38 n HIS 88 Ca -0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1q38 n HIS 88 Cb 0.53 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.40 1q38 n HIS 88 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41