#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 0.03 0.00 -1.26 -5.16 116.66 110.28 1q38 n ARG 2 Ca 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 57.85 57.80 1q38 n ARG 2 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 32.46 32.43 1q38 n ARG 2 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1q38 n GLY 3 N 0.00 -1.71 3.31 5.14 0.00 -1.26 -4.77 105.19 105.90 1q38 n GLY 3 Ca 0.00 -1.40 -0.10 0.00 0.00 0.00 0.00 46.02 44.52 1q38 n GLY 3 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1q38 s SER 4 N -4.00 0.09 -1.17 1.61 1.04 -1.26 -4.85 113.70 105.16 1q38 s SER 4 Ca 0.00 -1.02 0.00 0.00 0.48 0.00 0.00 55.95 55.41 1q38 s SER 4 Cb 0.00 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.54 1q38 s SER 4 CO 0.00 -0.88 0.00 0.59 0.98 0.00 0.00 173.24 173.93 1q38 n ASN 5 N -0.22 -5.60 -3.06 7.02 4.13 -1.26 -3.65 115.26 112.61 1q38 n ASN 5 Ca -0.05 0.27 -0.17 0.00 1.68 0.00 0.00 54.58 56.31 1q38 n ASN 5 Cb 0.63 -4.08 0.02 0.00 -1.54 0.00 0.00 39.78 34.82 1q38 n ASN 5 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1q38 n ALA 6 N 1.21 -2.78 -1.45 5.41 0.00 -1.26 -4.94 120.51 116.69 1q38 n ALA 6 Ca -0.11 0.83 -0.34 0.00 0.00 0.00 0.00 53.44 53.82 1q38 n ALA 6 Cb 0.58 -3.02 0.07 0.00 0.00 0.00 0.00 19.45 17.07 1q38 n ALA 6 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1q38 s PRO 7 N -2.44 2.49 -0.31 0.00 0.02 -1.24 -4.94 135.00 128.58 1q38 s PRO 7 Ca 0.27 1.61 -0.29 0.00 0.02 0.00 0.00 61.00 62.61 1q38 s PRO 7 Cb -0.05 -1.89 -0.01 0.00 0.02 0.00 0.00 34.50 32.57 1q38 s PRO 7 CO 0.78 -1.53 1.54 -0.65 -0.33 0.00 0.00 177.00 176.81 1q38 s GLN 8 N -3.93 3.65 -1.04 5.54 1.11 -1.26 -4.92 119.66 118.81 1q38 s GLN 8 Ca 0.71 1.33 -0.24 0.00 0.01 0.00 0.00 55.36 57.17 1q38 s GLN 8 Cb -0.25 -4.04 -0.09 0.00 -1.01 0.00 0.00 33.01 27.62 1q38 s GLN 8 CO 0.42 -1.47 1.99 -2.14 0.01 0.00 0.00 175.29 174.11 1q38 s PRO 9 N 4.88 2.33 0.00 2.91 0.02 -1.26 -3.33 135.00 140.55 1q38 s PRO 9 Ca 0.68 -0.65 0.00 0.00 0.02 0.00 0.00 61.00 61.05 1q38 s PRO 9 Cb -0.20 -5.12 0.00 0.00 0.02 0.00 0.00 34.50 29.21 1q38 s PRO 9 CO 0.30 -3.93 0.00 0.45 -0.33 0.00 0.00 177.00 173.49 1q38 n SER 10 N 15.04 0.00 -0.30 2.53 2.88 -1.26 -5.15 113.62 127.36 1q38 n SER 10 Ca 0.43 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.97 1q38 n SER 10 Cb 0.46 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.92 1q38 n SER 10 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1q38 n HIS 11 N -0.10 -0.32 -2.14 0.66 8.25 -1.21 -5.09 115.22 115.28 1q38 n HIS 11 Ca 0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.10 1q38 n HIS 11 Cb 0.00 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.12 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 1.51 2.88 0.13 1.59 1.10 -1.26 -4.94 121.20 122.21 1q38 s ILE 12 Ca 0.00 0.58 -0.20 0.00 -0.51 0.00 0.00 60.65 60.51 1q38 s ILE 12 Cb 0.00 -3.25 -0.02 0.00 0.15 0.00 0.00 42.46 39.34 1q38 s ILE 12 CO 0.00 -0.09 1.69 -1.28 -2.11 0.00 0.00 174.94 173.15 1q38 h SER 13 N 1.27 -0.29 -3.37 4.50 0.87 -1.83 -3.29 113.55 111.41 1q38 h SER 13 Ca -0.50 0.07 0.11 0.00 -1.23 0.00 0.00 61.79 60.24 1q38 h SER 13 Cb 1.28 0.16 -0.26 0.00 -0.44 0.00 0.00 62.40 63.14 1q38 h SER 13 CO 0.57 -0.11 0.61 -1.59 -0.53 0.00 0.00 176.83 175.78 1q38 s LYS 14 N -6.19 0.42 0.14 2.24 -2.85 -1.14 -4.66 119.74 107.71 1q38 s LYS 14 Ca -0.14 0.29 0.03 0.00 -1.00 0.00 0.00 55.97 55.15 1q38 s LYS 14 Cb 0.11 0.20 -0.04 0.00 -2.06 0.00 0.00 37.83 36.04 1q38 s LYS 14 CO 0.68 -0.09 0.22 0.71 0.10 0.00 0.00 175.35 176.97 1q38 s TYR 15 N -0.43 3.37 0.08 1.78 2.02 -0.51 -0.47 117.35 123.19 1q38 s TYR 15 Ca 0.03 0.09 0.08 0.00 -0.37 0.00 0.00 57.07 56.89 1q38 s TYR 15 Cb -0.03 -1.62 -0.04 0.00 -0.40 0.00 0.00 41.96 39.87 1q38 s TYR 15 CO -0.05 0.52 -0.17 -1.50 -1.57 0.00 0.00 175.55 172.79 1q38 s ILE 16 N -1.71 2.90 -0.20 2.71 -1.16 0.17 -1.87 121.20 122.04 1q38 s ILE 16 Ca 0.33 -1.32 -0.03 0.00 -0.51 0.00 0.00 60.65 59.12 1q38 s ILE 16 Cb -0.11 -2.28 0.06 0.00 0.61 0.00 0.00 42.46 40.74 1q38 s ILE 16 CO 0.27 0.21 0.04 -0.22 -2.81 0.00 0.00 174.94 172.42 1q38 s LEU 17 N -1.83 1.31 -0.10 8.50 2.96 0.16 -1.76 118.68 127.91 1q38 s LEU 17 Ca 0.17 -0.89 0.03 0.00 -0.22 0.00 0.00 54.13 53.21 1q38 s LEU 17 Cb -0.11 -0.64 0.01 0.00 0.50 0.00 0.00 46.19 45.95 1q38 s LEU 17 CO 0.08 -0.31 -0.19 -0.13 -1.32 0.00 0.00 176.35 174.48 1q38 s ARG 18 N 1.82 2.60 0.13 1.98 0.52 -0.56 -0.24 118.95 125.19 1q38 s ARG 18 Ca -0.01 -0.71 -0.24 0.00 -0.52 0.00 0.00 55.73 54.25 1q38 s ARG 18 Cb -0.17 -2.07 0.07 0.00 0.52 0.00 0.00 34.95 33.30 1q38 s ARG 18 CO -0.09 0.05 0.65 1.67 0.02 0.00 0.00 175.30 177.59 1q38 s TRP 19 N 0.67 -0.51 0.23 -0.53 -2.14 -1.09 0.14 118.94 115.70 1q38 s TRP 19 Ca -0.12 0.34 -0.21 0.00 2.66 0.00 0.00 56.10 58.77 1q38 s TRP 19 Cb -0.16 0.55 0.04 0.00 -3.10 0.00 0.00 33.47 30.80 1q38 s TRP 19 CO 0.03 -0.80 0.64 -0.98 -2.66 0.00 0.00 176.95 173.18 1q38 s ARG 20 N -3.58 1.55 -0.19 3.25 3.03 -0.29 -0.32 118.95 122.40 1q38 s ARG 20 Ca 0.01 -0.81 -0.34 0.00 2.03 0.00 0.00 55.73 56.62 1q38 s ARG 20 Cb -0.01 0.58 -0.11 0.00 -1.03 0.00 0.00 34.95 34.38 1q38 s ARG 20 CO -0.12 -0.69 2.01 -2.30 -1.13 0.00 0.00 175.30 173.07 1q38 n PRO 21 N -0.41 1.79 -0.27 3.89 -0.02 -1.26 0.98 135.00 139.70 1q38 n PRO 21 Ca -0.09 0.60 -0.00 0.00 -2.02 0.00 0.00 63.50 61.99 1q38 n PRO 21 Cb 0.62 -2.65 0.04 0.00 -0.02 0.00 0.00 33.50 31.48 1q38 n PRO 21 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1q38 n LYS 22 N 7.31 -0.15 -0.12 -0.52 3.00 0.17 -2.65 118.16 125.19 1q38 n LYS 22 Ca 0.29 1.08 -0.21 0.00 -0.00 0.00 0.00 58.31 59.47 1q38 n LYS 22 Cb 0.29 -1.61 -0.10 0.00 0.00 0.00 0.00 35.03 33.61 1q38 n LYS 22 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1q38 n ASN 23 N -5.05 1.99 -3.36 3.14 4.13 -1.25 -4.81 115.26 110.04 1q38 n ASN 23 Ca 0.08 0.07 -0.22 0.00 1.68 0.00 0.00 54.58 56.18 1q38 n ASN 23 Cb 0.29 -0.54 0.16 0.00 -1.54 0.00 0.00 39.78 38.15 1q38 n ASN 23 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 1q38 n SER 24 N -3.62 -0.56 -4.04 6.41 2.88 -1.08 -5.09 113.62 108.53 1q38 n SER 24 Ca -0.46 -1.23 -0.24 0.00 -1.33 0.00 0.00 58.87 55.61 1q38 n SER 24 Cb 0.91 -0.75 -0.16 0.00 -0.75 0.00 0.00 64.21 63.46 1q38 n SER 24 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1q38 s VAL 25 N -2.92 1.12 -0.14 2.46 -7.23 -1.26 -4.09 120.40 108.33 1q38 s VAL 25 Ca 0.55 -0.50 0.08 0.00 -1.81 0.00 0.00 61.98 60.30 1q38 s VAL 25 Cb -0.03 -1.00 0.22 0.00 0.56 0.00 0.00 36.38 36.13 1q38 s VAL 25 CO 0.39 0.34 1.23 0.61 -0.31 0.00 0.00 175.10 177.37 1q38 n GLY 26 N 3.58 1.21 1.27 2.32 0.00 -1.26 -4.93 105.19 107.38 1q38 n GLY 26 Ca -0.21 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.61 1q38 n GLY 26 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1q38 n ARG 27 N -0.59 -3.64 -0.54 1.61 3.00 -1.26 -4.93 116.66 110.32 1q38 n ARG 27 Ca -0.19 2.71 -0.29 0.00 -0.00 0.00 0.00 57.85 60.08 1q38 n ARG 27 Cb 0.81 -3.05 0.24 0.00 0.00 0.00 0.00 32.46 30.46 1q38 n ARG 27 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 1q38 s TRP 28 N -3.08 1.35 0.13 -0.14 0.52 -1.26 -4.60 118.94 111.87 1q38 s TRP 28 Ca 0.00 1.34 0.04 0.00 0.02 0.00 0.00 56.10 57.50 1q38 s TRP 28 Cb 0.00 -3.15 -0.04 0.00 -1.15 0.00 0.00 33.47 29.13 1q38 s TRP 28 CO 0.00 -3.71 -0.10 0.15 0.02 0.00 0.00 176.95 173.31 1q38 s LYS 29 N -4.47 0.99 -0.03 4.98 -0.14 0.56 -4.86 119.74 116.77 1q38 s LYS 29 Ca 0.68 -1.37 -0.00 0.00 -1.36 0.00 0.00 55.97 53.92 1q38 s LYS 29 Cb -0.25 -0.57 0.03 0.00 -1.68 0.00 0.00 37.83 35.36 1q38 s LYS 29 CO 0.63 0.07 0.01 -1.83 -0.76 0.00 0.00 175.35 173.47 1q38 s GLU 30 N -3.54 0.24 -0.08 1.68 1.03 -1.20 -2.67 118.70 114.17 1q38 s GLU 30 Ca 0.14 0.13 -0.03 0.00 0.03 0.00 0.00 54.97 55.23 1q38 s GLU 30 Cb 0.02 -0.50 0.04 0.00 -0.80 0.00 0.00 34.13 32.89 1q38 s GLU 30 CO -0.00 -0.17 0.15 0.00 -1.33 0.00 0.00 175.26 173.90 1q38 s ALA 31 N 1.23 -0.15 -0.23 -0.84 0.00 0.66 -4.94 121.76 117.49 1q38 s ALA 31 Ca -0.07 0.56 -0.06 0.00 0.00 0.00 0.00 51.96 52.39 1q38 s ALA 31 Cb -0.13 -0.71 -0.02 0.00 0.00 0.00 0.00 23.12 22.25 1q38 s ALA 31 CO -0.02 -0.46 0.04 0.99 0.00 0.00 0.00 175.76 176.31 1q38 s THR 32 N 2.01 4.10 -0.27 0.00 2.01 -1.26 0.37 115.64 122.60 1q38 s THR 32 Ca 0.00 -0.25 0.02 0.00 0.31 0.00 0.00 61.69 61.78 1q38 s THR 32 Cb -0.12 -2.90 0.07 0.00 0.01 0.00 0.00 72.50 69.56 1q38 s THR 32 CO -0.06 0.37 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.57 1q38 s ILE 33 N 1.46 1.90 -0.37 1.82 -1.09 -0.78 -4.89 121.20 119.25 1q38 s ILE 33 Ca 0.05 -1.64 -0.29 0.00 -2.23 0.00 0.00 60.65 56.55 1q38 s ILE 33 Cb -0.15 -2.17 -0.00 0.00 -1.58 0.00 0.00 42.46 38.56 1q38 s ILE 33 CO 0.02 -0.21 1.53 -2.16 -1.23 0.00 0.00 174.94 172.88 1q38 s PRO 34 N 1.19 3.55 7.98 2.79 0.04 -1.26 -1.43 135.00 147.86 1q38 s PRO 34 Ca -0.03 1.15 0.00 0.00 0.04 0.00 0.00 61.00 62.17 1q38 s PRO 34 Cb -0.19 -4.06 0.00 0.00 0.04 0.00 0.00 34.50 30.28 1q38 s PRO 34 CO -0.07 -1.59 0.00 0.41 0.04 0.00 0.00 177.00 175.78 1q38 n GLY 35 N 5.09 4.08 2.29 0.56 0.00 -1.24 -3.75 105.19 112.22 1q38 n GLY 35 Ca 0.18 0.06 -0.20 0.00 0.00 0.00 0.00 46.02 46.06 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 13.75 -0.85 0.07 1.61 1.44 -1.26 -4.94 115.22 125.05 1q38 n HIS 36 Ca 0.00 -3.26 0.00 0.00 -2.01 0.00 0.00 57.72 52.45 1q38 n HIS 36 Cb 0.00 0.00 0.31 0.00 0.12 0.00 0.00 29.99 30.42 1q38 n HIS 36 CO 0.00 0.00 0.00 1.37 -2.81 0.00 0.00 176.34 174.90 1q38 h LEU 37 N 3.85 0.33 0.00 2.39 -0.00 -1.95 -3.47 115.31 116.46 1q38 h LEU 37 Ca 0.03 -0.09 0.07 0.00 -0.00 0.00 0.00 57.88 57.90 1q38 h LEU 37 Cb 0.92 -0.09 -0.01 0.00 -0.00 0.00 0.00 40.66 41.48 1q38 h LEU 37 CO 0.44 0.53 0.20 -0.46 -0.00 0.00 0.00 178.44 179.14 1q38 n ASN 38 N -4.20 -0.33 -4.53 0.17 6.94 -1.26 -5.11 115.26 106.94 1q38 n ASN 38 Ca -0.00 -1.11 -0.43 0.00 -0.02 0.00 0.00 54.58 53.02 1q38 n ASN 38 Cb 0.33 0.52 -0.04 0.00 -2.36 0.00 0.00 39.78 38.23 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 -1.67 6.36 -0.47 0.53 0.01 -1.26 -5.00 113.70 112.20 1q38 s SER 39 Ca 0.07 -0.28 -0.20 0.00 1.31 0.00 0.00 55.95 56.85 1q38 s SER 39 Cb -0.00 -2.46 0.04 0.00 0.21 0.00 0.00 66.02 63.81 1q38 s SER 39 CO 0.00 -1.28 0.62 -0.47 0.41 0.00 0.00 173.24 172.52 1q38 s TYR 40 N 4.14 3.06 -0.08 2.43 5.04 -1.26 -5.05 117.35 125.63 1q38 s TYR 40 Ca 0.32 -0.34 -0.02 0.00 -2.44 0.00 0.00 57.07 54.60 1q38 s TYR 40 Cb -0.12 -3.41 -0.03 0.00 0.35 0.00 0.00 41.96 38.75 1q38 s TYR 40 CO 0.20 -0.95 0.00 0.95 -1.34 0.00 0.00 175.55 174.42 1q38 s THR 41 N 2.67 4.31 -0.19 4.34 -4.23 -1.26 -5.10 115.64 116.18 1q38 s THR 41 Ca 0.18 -0.27 -0.10 0.00 -1.18 0.00 0.00 61.69 60.32 1q38 s THR 41 Cb -0.17 -2.82 -0.05 0.00 1.34 0.00 0.00 72.50 70.80 1q38 s THR 41 CO 0.15 0.59 0.13 -0.63 -0.54 0.00 0.00 174.62 174.31 1q38 s ILE 42 N -0.90 5.39 -0.67 2.99 1.09 -1.26 -5.04 121.20 122.80 1q38 s ILE 42 Ca 0.14 0.18 0.05 0.00 -1.10 0.00 0.00 60.65 59.92 1q38 s ILE 42 Cb -0.11 -3.45 0.20 0.00 -1.06 0.00 0.00 42.46 38.04 1q38 s ILE 42 CO 0.03 0.46 0.60 0.29 -0.10 0.00 0.00 174.94 176.22 1q38 n LYS 43 N 3.38 2.08 -0.05 2.79 4.01 -1.26 -4.69 118.16 124.42 1q38 n LYS 43 Ca -0.16 -4.53 0.00 0.00 -0.51 0.00 0.00 58.31 53.11 1q38 n LYS 43 Cb 0.52 -2.25 0.00 0.00 -0.51 0.00 0.00 35.03 32.79 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 1.50 -0.75 0.00 0.72 0.00 -1.26 -4.93 105.19 100.47 1q38 n GLY 44 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 0.00 0.99 4.32 -1.26 -5.04 117.00 116.01 1q38 n LEU 45 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1q38 n LEU 45 Cb 0.51 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.31 1q38 n LEU 45 CO 0.00 0.00 0.00 2.29 -1.22 0.00 0.00 177.39 178.46 1q38 n LYS 46 N 0.00 0.00 0.00 3.23 2.85 -1.22 -3.69 118.16 119.32 1q38 n LYS 46 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1q38 n LYS 46 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1q38 n LYS 46 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 1q38 n PRO 47 N -0.97 0.00 -0.06 -1.58 -0.04 -1.26 -1.09 135.00 129.99 1q38 n PRO 47 Ca 0.00 0.25 -0.22 0.00 -0.04 0.00 0.00 63.50 63.49 1q38 n PRO 47 Cb 0.00 -1.60 -0.12 0.00 -0.04 0.00 0.00 33.50 31.74 1q38 n PRO 47 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1q38 h GLY 48 N 0.00 0.11 -5.15 0.55 0.00 -1.93 -3.47 103.07 93.18 1q38 h GLY 48 Ca 0.00 -0.29 -0.68 0.00 0.00 0.00 0.00 47.33 46.36 1q38 h GLY 48 CO 0.00 0.25 -0.76 -1.34 0.00 0.00 0.00 176.54 174.69 1q38 s VAL 49 N -2.43 3.12 -0.29 4.60 -7.23 -0.25 -5.10 120.40 112.82 1q38 s VAL 49 Ca -0.26 -0.68 -0.10 0.00 -1.81 0.00 0.00 61.98 59.13 1q38 s VAL 49 Cb 0.06 -2.25 -0.02 0.00 0.56 0.00 0.00 36.38 34.72 1q38 s VAL 49 CO 0.66 0.57 0.16 0.54 -0.31 0.00 0.00 175.10 176.72 1q38 s VAL 50 N -0.40 4.81 -0.22 1.32 0.11 -1.26 -3.42 120.40 121.33 1q38 s VAL 50 Ca 0.05 -0.19 -0.09 0.00 -2.93 0.00 0.00 61.98 58.81 1q38 s VAL 50 Cb -0.12 -3.38 -0.04 0.00 -1.53 0.00 0.00 36.38 31.31 1q38 s VAL 50 CO 0.02 0.16 0.12 -0.31 -3.33 0.00 0.00 175.10 171.75 1q38 s TYR 51 N 1.67 3.26 -0.06 1.54 1.51 -0.18 0.41 117.35 125.50 1q38 s TYR 51 Ca 0.06 0.09 -0.30 0.00 -1.01 0.00 0.00 57.07 55.91 1q38 s TYR 51 Cb -0.16 -2.20 -0.02 0.00 -0.11 0.00 0.00 41.96 39.46 1q38 s TYR 51 CO 0.07 0.03 1.05 -2.00 -1.11 0.00 0.00 175.55 173.60 1q38 s GLU 52 N 0.92 4.44 0.26 -0.62 2.12 0.27 -0.65 118.70 125.45 1q38 s GLU 52 Ca 0.06 1.48 0.10 0.00 0.36 0.00 0.00 54.97 56.97 1q38 s GLU 52 Cb -0.13 -3.51 -0.05 0.00 0.26 0.00 0.00 34.13 30.70 1q38 s GLU 52 CO 0.03 -0.28 -0.07 0.20 -0.54 0.00 0.00 175.26 174.60 1q38 s GLY 53 N 1.15 1.73 -0.15 -1.50 0.00 0.58 -1.14 107.32 107.99 1q38 s GLY 53 Ca 0.51 -1.71 -0.02 0.00 0.00 0.00 0.00 44.72 43.51 1q38 s GLY 53 CO 0.22 -1.78 0.00 1.62 0.00 0.00 0.00 173.10 173.16 1q38 s GLN 54 N -3.56 0.84 -0.45 2.90 0.74 0.37 -0.70 119.66 119.80 1q38 s GLN 54 Ca 0.30 -0.28 -0.14 0.00 0.05 0.00 0.00 55.36 55.29 1q38 s GLN 54 Cb -0.06 -1.73 0.06 0.00 1.10 0.00 0.00 33.01 32.38 1q38 s GLN 54 CO 0.18 -0.48 0.35 -0.51 -0.55 0.00 0.00 175.29 174.27 1q38 s LEU 55 N 1.84 5.41 -0.20 3.68 2.01 0.27 -1.50 118.68 130.19 1q38 s LEU 55 Ca 0.01 -1.27 -0.01 0.00 0.01 0.00 0.00 54.13 52.87 1q38 s LEU 55 Cb -0.15 -2.14 0.01 0.00 0.01 0.00 0.00 46.19 43.92 1q38 s LEU 55 CO -0.07 -0.58 -0.13 -0.63 1.01 0.00 0.00 176.35 175.95 1q38 s ILE 56 N 1.61 2.63 0.17 -0.59 1.01 -0.72 -1.44 121.20 123.87 1q38 s ILE 56 Ca 0.04 -0.75 -0.28 0.00 0.00 0.00 0.00 60.65 59.66 1q38 s ILE 56 Cb -0.23 -2.15 -0.08 0.00 0.01 0.00 0.00 42.46 40.01 1q38 s ILE 56 CO 0.06 0.49 0.89 -0.44 0.00 0.00 0.00 174.94 175.94 1q38 s SER 57 N 1.37 7.50 -0.11 3.58 0.01 0.14 0.46 113.70 126.66 1q38 s SER 57 Ca 0.05 1.79 0.03 0.00 1.31 0.00 0.00 55.95 59.12 1q38 s SER 57 Cb -0.14 -2.56 -0.01 0.00 0.21 0.00 0.00 66.02 63.53 1q38 s SER 57 CO -0.09 0.11 -0.20 -0.63 0.41 0.00 0.00 173.24 172.84 1q38 s ILE 58 N -0.78 2.44 0.62 1.44 1.09 0.38 -0.64 121.20 125.76 1q38 s ILE 58 Ca 0.41 -0.89 -0.09 0.00 -1.10 0.00 0.00 60.65 58.99 1q38 s ILE 58 Cb -0.24 -1.97 0.14 0.00 -1.06 0.00 0.00 42.46 39.33 1q38 s ILE 58 CO 0.29 0.55 0.84 1.67 -0.10 0.00 0.00 174.94 178.19 1q38 n GLN 59 N 3.45 -0.63 0.21 2.79 0.00 -1.11 -2.86 117.38 119.23 1q38 n GLN 59 Ca -0.19 -1.49 0.07 0.00 -0.00 0.00 0.00 57.00 55.39 1q38 n GLN 59 Cb 0.53 -0.81 0.57 0.00 0.00 0.00 0.00 30.24 30.53 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 0.08 -0.01 3.69 3.07 -1.98 -1.47 115.11 118.48 1q38 h GLN 60 Ca -0.27 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.46 1q38 h GLN 60 Cb 0.80 -0.02 0.00 0.00 0.08 0.00 0.00 27.48 28.35 1q38 h GLN 60 CO 0.21 0.10 -0.39 2.48 0.09 0.00 0.00 178.83 181.33 1q38 n TYR 61 N -4.47 0.00 0.00 0.06 0.18 -1.26 -5.09 117.16 106.58 1q38 n TYR 61 Ca -0.02 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.76 1q38 n TYR 61 Cb 0.13 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.09 1q38 n TYR 61 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1q38 n GLY 62 N 1.26 2.54 1.28 -7.48 0.00 -0.56 -5.13 105.19 97.10 1q38 n GLY 62 Ca 0.08 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.23 1q38 n GLY 62 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1q38 n HIS 63 N 1.13 -3.45 0.13 1.61 8.25 -1.26 -4.03 115.22 117.59 1q38 n HIS 63 Ca 0.00 1.82 0.00 0.00 -0.26 0.00 0.00 57.72 59.28 1q38 n HIS 63 Cb 0.00 -3.01 0.00 0.00 1.12 0.00 0.00 29.99 28.10 1q38 n HIS 63 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1q38 n GLN 64 N -0.45 0.00 -3.83 -0.41 1.13 0.19 -2.73 117.38 111.28 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 0.36 -0.07 -1.09 2.56 -0.80 -4.89 118.70 112.78 1q38 s GLU 65 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.97 54.94 1q38 s GLU 65 Cb 0.00 0.16 0.03 0.00 2.00 0.00 0.00 34.13 36.32 1q38 s GLU 65 CO 0.00 -0.07 -0.01 0.08 -0.56 0.00 0.00 175.26 174.69 1q38 s VAL 66 N -0.58 0.46 -0.05 3.70 1.01 -1.26 0.28 120.40 123.96 1q38 s VAL 66 Ca -0.07 0.04 -0.01 0.00 0.00 0.00 0.00 61.98 61.94 1q38 s VAL 66 Cb -0.04 -0.58 0.03 0.00 0.00 0.00 0.00 36.38 35.78 1q38 s VAL 66 CO 0.01 0.26 0.03 0.42 0.00 0.00 0.00 175.10 175.83 1q38 s THR 67 N 1.76 0.09 -0.22 3.92 -4.23 -0.52 -5.01 115.64 111.43 1q38 s THR 67 Ca 0.02 0.28 -0.05 0.00 -1.18 0.00 0.00 61.69 60.76 1q38 s THR 67 Cb -0.13 -0.29 -0.02 0.00 1.34 0.00 0.00 72.50 73.41 1q38 s THR 67 CO -0.05 0.20 0.00 -0.13 -0.54 0.00 0.00 174.62 174.10 1q38 s ARG 68 N 1.91 3.54 -0.17 3.99 3.00 -1.26 -0.56 118.95 129.39 1q38 s ARG 68 Ca 0.02 -0.55 -0.10 0.00 0.00 0.00 0.00 55.73 55.10 1q38 s ARG 68 Cb -0.12 -3.11 0.06 0.00 0.00 0.00 0.00 34.95 31.77 1q38 s ARG 68 CO -0.04 -0.11 0.43 -0.06 0.00 0.00 0.00 175.30 175.52 1q38 s PHE 69 N 1.33 -0.60 -0.01 -0.53 0.08 0.12 -4.98 117.98 113.38 1q38 s PHE 69 Ca 0.04 1.30 -0.15 0.00 0.12 0.00 0.00 56.93 58.24 1q38 s PHE 69 Cb -0.15 0.27 -0.06 0.00 -0.57 0.00 0.00 43.02 42.52 1q38 s PHE 69 CO 0.00 -0.33 0.42 0.16 -0.10 0.00 0.00 175.22 175.37 1q38 s ASP 70 N 1.23 6.81 0.09 1.36 1.47 -1.26 -0.30 116.67 126.06 1q38 s ASP 70 Ca -0.08 0.96 -0.02 0.00 1.18 0.00 0.00 52.55 54.58 1q38 s ASP 70 Cb -0.07 -2.26 -0.03 0.00 -0.34 0.00 0.00 42.92 40.21 1q38 s ASP 70 CO -0.11 0.28 0.04 0.72 0.68 0.00 0.00 175.17 176.78 1q38 s PHE 71 N -0.87 0.57 -0.11 2.11 -0.71 0.18 -4.90 117.98 114.25 1q38 s PHE 71 Ca 0.24 -1.04 -0.07 0.00 -1.04 0.00 0.00 56.93 55.02 1q38 s PHE 71 Cb -0.17 -0.36 0.04 0.00 -1.21 0.00 0.00 43.02 41.33 1q38 s PHE 71 CO 0.13 -0.46 0.26 -0.08 -1.34 0.00 0.00 175.22 173.73 1q38 s THR 72 N -3.95 -0.02 0.00 -4.49 -1.32 -1.26 -1.01 115.64 103.58 1q38 s THR 72 Ca 0.12 0.08 0.00 0.00 -1.21 0.00 0.00 61.69 60.68 1q38 s THR 72 Cb 0.07 -0.39 0.00 0.00 -1.51 0.00 0.00 72.50 70.67 1q38 s THR 72 CO -0.06 0.03 0.00 1.07 -2.21 0.00 0.00 174.62 173.45 1q38 n THR 73 N 3.66 0.00 -2.97 5.08 5.66 -1.24 -4.44 114.28 120.03 1q38 n THR 73 Ca -0.20 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.80 1q38 n THR 73 Cb 0.55 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.33 1q38 n THR 73 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1q38 n THR 74 N 0.00 0.00 -1.79 1.09 -2.24 -1.24 -4.67 114.28 105.43 1q38 n THR 74 Ca 0.00 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.77 1q38 n THR 74 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1q38 n THR 74 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1q38 n SER 75 N -0.94 -3.20 0.00 3.42 2.88 -1.25 -4.37 113.62 110.16 1q38 n SER 75 Ca 0.00 0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 1q38 n SER 75 Cb 0.00 -1.89 0.00 0.00 -0.75 0.00 0.00 64.21 61.57 1q38 n SER 75 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1q38 n THR 76 N -0.67 0.00 -2.93 2.46 -1.04 -1.26 -5.08 114.28 105.76 1q38 n THR 76 Ca 0.02 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.89 1q38 n THR 76 Cb 0.22 -0.20 0.03 0.00 -1.82 0.00 0.00 70.33 68.56 1q38 n THR 76 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1q38 n SER 77 N 0.00 -1.17 -3.57 8.00 7.64 -1.26 -5.13 113.62 118.14 1q38 n SER 77 Ca 0.00 -3.32 -0.11 0.00 1.01 0.00 0.00 58.87 56.45 1q38 n SER 77 Cb 0.00 0.85 -0.05 0.00 -1.01 0.00 0.00 64.21 64.00 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 -0.67 0.00 0.13 0.44 -4.23 -1.26 -5.15 115.64 104.91 1q38 s THR 78 Ca 0.30 0.00 -0.11 0.00 -1.18 0.00 0.00 61.69 60.70 1q38 s THR 78 Cb 0.29 -1.00 -0.07 0.00 1.34 0.00 0.00 72.50 73.05 1q38 s THR 78 CO -0.09 0.00 0.14 -2.65 -0.54 0.00 0.00 174.62 171.48 1q38 n PRO 79 N 0.69 0.00 -3.31 3.99 -0.02 -1.26 -4.99 135.00 130.10 1q38 n PRO 79 Ca -0.11 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.28 1q38 n PRO 79 Cb 0.58 -0.45 -0.06 0.00 -0.02 0.00 0.00 33.50 33.55 1q38 n PRO 79 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1q38 s GLY 80 N -0.45 -0.53 0.20 -1.23 0.00 -1.26 -5.15 107.32 98.91 1q38 s GLY 80 Ca 0.28 0.43 -0.10 0.00 0.00 0.00 0.00 44.72 45.32 1q38 s GLY 80 CO 0.26 2.95 0.53 -1.14 0.00 0.00 0.00 173.10 175.70 1q38 n SER 81 N 5.36 -1.30 -4.27 1.64 3.41 -1.26 -5.19 113.62 112.01 1q38 n SER 81 Ca -0.01 -1.84 -0.29 0.00 -0.26 0.00 0.00 58.87 56.47 1q38 n SER 81 Cb 0.49 2.15 -0.07 0.00 -0.26 0.00 0.00 64.21 66.53 1q38 n SER 81 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1q38 n ARG 82 N -0.36 0.70 -3.66 4.33 1.74 -1.26 -5.17 116.66 112.98 1q38 n ARG 82 Ca -0.04 -3.53 -0.10 0.00 -0.77 0.00 0.00 57.85 53.42 1q38 n ARG 82 Cb 0.36 1.37 -0.08 0.00 -1.02 0.00 0.00 32.46 33.09 1q38 n ARG 82 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1q38 s SER 83 N -3.62 -0.76 0.00 0.55 0.15 -1.26 -5.03 113.70 103.73 1q38 s SER 83 Ca 0.09 1.29 0.00 0.00 0.70 0.00 0.00 55.95 58.04 1q38 s SER 83 Cb 0.00 1.20 0.00 0.00 -1.71 0.00 0.00 66.02 65.52 1q38 s SER 83 CO 0.07 -0.22 0.62 0.00 1.20 0.00 0.00 173.24 174.91 1q38 n HIS 84 N 3.91 0.00 -1.18 3.44 1.44 -1.26 -5.15 115.22 116.42 1q38 n HIS 84 Ca -0.19 -0.27 0.13 0.00 -2.01 0.00 0.00 57.72 55.38 1q38 n HIS 84 Cb 0.57 0.38 -0.07 0.00 0.12 0.00 0.00 29.99 30.99 1q38 n HIS 84 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 1q38 n HIS 85 N 0.00 -3.18 -2.86 -1.40 8.25 -1.26 -4.57 115.22 110.20 1q38 n HIS 85 Ca -0.15 1.75 -0.44 0.00 -0.26 0.00 0.00 57.72 58.63 1q38 n HIS 85 Cb 0.52 -2.88 0.00 0.00 1.12 0.00 0.00 29.99 28.75 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 -3.76 4.11 -3.70 4.41 -0.00 -1.26 -4.90 115.22 110.12 1q38 n HIS 86 Ca -0.07 -3.20 -0.30 0.00 0.46 0.00 0.00 57.72 54.61 1q38 n HIS 86 Cb 0.54 -1.91 -0.15 0.00 -0.12 0.00 0.00 29.99 28.35 1q38 n HIS 86 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 1q38 s HIS 87 N 0.11 1.42 -2.13 1.57 3.76 -1.26 -4.97 115.29 113.79 1q38 s HIS 87 Ca 0.38 -1.53 0.25 0.00 -0.15 0.00 0.00 55.06 54.01 1q38 s HIS 87 Cb 0.00 -1.53 1.31 0.00 1.11 0.00 0.00 32.58 33.47 1q38 s HIS 87 CO 0.00 -0.85 1.86 0.72 -0.85 0.00 0.00 174.74 175.62 1q38 n HIS 88 N 4.93 0.03 1.68 1.40 8.25 -1.26 -5.19 115.22 125.07 1q38 n HIS 88 Ca -0.03 -0.02 0.13 0.00 -0.26 0.00 0.00 57.72 57.55 1q38 n HIS 88 Cb 0.42 0.00 0.80 0.00 1.12 0.00 0.00 29.99 32.33 1q38 n HIS 88 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56