#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q48 n ALA 2 N 0.00 0.00 1.02 3.17 0.00 -1.26 -4.99 120.51 118.45 1q48 n ALA 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1q48 n ALA 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1q48 n ALA 2 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1q48 n TYR 3 N 0.00 0.00 -4.57 0.00 9.36 -1.26 -4.72 117.16 115.97 1q48 n TYR 3 Ca 0.00 0.00 -0.27 0.00 3.32 0.00 0.00 57.90 60.95 1q48 n TYR 3 Cb 0.00 -0.02 -0.11 0.00 -0.63 0.00 0.00 39.34 38.58 1q48 n TYR 3 CO 0.00 0.00 0.00 -1.54 0.22 0.00 0.00 176.86 175.54 1q48 s SER 4 N -1.05 3.74 -0.17 2.98 1.04 -1.26 -5.01 113.70 113.97 1q48 s SER 4 Ca 0.00 -1.26 0.06 0.00 0.48 0.00 0.00 55.95 55.22 1q48 s SER 4 Cb 0.00 -0.36 0.42 0.00 0.10 0.00 0.00 66.02 66.18 1q48 s SER 4 CO 0.00 -0.30 1.31 -0.62 0.98 0.00 0.00 173.24 174.60 1q48 n GLU 5 N -0.85 2.62 -4.29 4.02 4.71 -1.26 -4.81 120.64 120.77 1q48 n GLU 5 Ca -0.05 -1.71 -0.33 0.00 -0.01 0.00 0.00 57.16 55.06 1q48 n GLU 5 Cb 0.65 -1.82 -0.16 0.00 -1.01 0.00 0.00 31.44 29.09 1q48 n GLU 5 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 1q48 s LYS 6 N -1.91 3.03 -0.00 3.49 3.01 -1.26 -4.96 119.74 121.13 1q48 s LYS 6 Ca 0.31 -0.82 0.17 0.00 -1.01 0.00 0.00 55.97 54.61 1q48 s LYS 6 Cb 0.24 -2.55 -0.20 0.00 -1.01 0.00 0.00 37.83 34.31 1q48 s LYS 6 CO 0.08 -0.14 0.67 0.28 0.51 0.00 0.00 175.35 176.75 1q48 n VAL 7 N 4.44 0.00 -1.02 3.17 0.31 -1.26 -5.01 118.33 118.96 1q48 n VAL 7 Ca -0.20 -0.15 -0.33 0.00 -0.01 0.00 0.00 64.34 63.65 1q48 n VAL 7 Cb 0.51 0.87 0.00 0.00 -0.91 0.00 0.00 33.84 34.30 1q48 n VAL 7 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1q48 n ILE 8 N -1.51 0.39 0.04 2.52 5.41 -1.26 -4.84 119.36 120.11 1q48 n ILE 8 Ca 0.02 -0.40 -0.08 0.00 1.00 0.00 0.00 62.75 63.29 1q48 n ILE 8 Cb 0.29 0.00 -0.13 0.00 -0.71 0.00 0.00 39.64 39.09 1q48 n ILE 8 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 1q48 h ASP 9 N 0.20 0.03 0.00 4.38 3.32 -2.00 -3.49 116.42 118.86 1q48 h ASP 9 Ca -0.30 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.71 1q48 h ASP 9 Cb 1.15 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.69 1q48 h ASP 9 CO 0.36 1.03 0.00 1.41 -1.72 0.00 0.00 179.24 180.32 1q48 n HIS 10 N -3.26 0.00 -0.08 4.55 8.25 -1.26 -5.01 115.22 118.41 1q48 n HIS 10 Ca -0.06 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.29 1q48 n HIS 10 Cb 0.98 0.00 0.03 0.00 1.12 0.00 0.00 29.99 32.12 1q48 n HIS 10 CO 0.00 0.00 0.00 1.88 0.64 0.00 0.00 176.34 178.86 1q48 h TYR 11 N 0.00 0.95 0.00 4.41 0.05 -2.03 -3.45 116.97 116.90 1q48 h TYR 11 Ca 0.00 -0.28 0.00 0.00 0.05 0.00 0.00 58.73 58.50 1q48 h TYR 11 Cb 0.00 -0.20 0.00 0.00 1.01 0.00 0.00 36.73 37.54 1q48 h TYR 11 CO 0.00 1.06 0.00 0.39 -1.05 0.00 0.00 178.16 178.56 1q48 n GLU 12 N -4.04 0.00 -3.82 4.88 1.02 -1.26 -5.15 120.64 112.27 1q48 n GLU 12 Ca -0.02 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.00 1q48 n GLU 12 Cb 0.54 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.86 1q48 n GLU 12 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1q48 s ASN 13 N 1.00 -0.08 0.00 1.62 0.01 -1.26 -5.02 114.94 111.21 1q48 s ASN 13 Ca 0.00 -0.05 0.05 0.00 -0.71 0.00 0.00 52.86 52.14 1q48 s ASN 13 Cb 0.00 0.26 0.29 0.00 0.41 0.00 0.00 41.25 42.22 1q48 s ASN 13 CO 0.00 -0.40 0.88 -0.81 -1.51 0.00 0.00 177.10 175.25 1q48 n PRO 14 N 1.39 0.64 -1.04 -0.60 -0.04 -1.26 -3.37 135.00 130.73 1q48 n PRO 14 Ca -0.22 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.08 1q48 n PRO 14 Cb 0.56 -1.12 0.20 0.00 -0.04 0.00 0.00 33.50 33.10 1q48 n PRO 14 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1q48 n ARG 15 N -0.62 2.61 -3.03 0.54 0.63 -1.26 -4.94 116.66 110.59 1q48 n ARG 15 Ca 0.04 -2.72 -0.12 0.00 -0.92 0.00 0.00 57.85 54.13 1q48 n ARG 15 Cb 0.02 -2.08 0.01 0.00 0.45 0.00 0.00 32.46 30.86 1q48 n ARG 15 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1q48 n ASN 16 N -0.66 -7.43 -1.28 6.15 5.03 -1.22 -4.71 115.26 111.14 1q48 n ASN 16 Ca 0.48 0.26 0.14 0.00 0.87 0.00 0.00 54.58 56.33 1q48 n ASN 16 Cb 1.46 -4.67 -0.07 0.00 -1.02 0.00 0.00 39.78 35.48 1q48 n ASN 16 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 1q48 n VAL 17 N -0.66 -0.57 0.00 2.41 0.31 -1.26 -5.04 118.33 113.52 1q48 n VAL 17 Ca 0.05 0.68 0.00 0.00 -0.01 0.00 0.00 64.34 65.06 1q48 n VAL 17 Cb 0.51 -1.07 0.00 0.00 -0.91 0.00 0.00 33.84 32.37 1q48 n VAL 17 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1q48 n GLY 18 N -4.05 -1.64 1.44 2.92 0.00 -1.26 -4.97 105.19 97.63 1q48 n GLY 18 Ca -0.07 0.59 0.00 0.00 0.00 0.00 0.00 46.02 46.54 1q48 n GLY 18 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1q48 n SER 19 N 0.00 -7.79 -2.42 1.61 2.88 -1.26 -4.96 113.62 101.68 1q48 n SER 19 Ca 0.00 1.45 -0.01 0.00 -1.33 0.00 0.00 58.87 58.98 1q48 n SER 19 Cb 0.00 -4.42 -0.01 0.00 -0.75 0.00 0.00 64.21 59.03 1q48 n SER 19 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1q48 n LEU 20 N -1.80 -6.50 0.00 2.46 7.94 -1.26 -5.00 117.00 112.84 1q48 n LEU 20 Ca 0.00 2.75 0.00 0.00 -1.11 0.00 0.00 56.01 57.65 1q48 n LEU 20 Cb 0.24 -3.26 0.00 0.00 0.53 0.00 0.00 43.42 40.93 1q48 n LEU 20 CO 0.00 -3.21 0.00 -0.67 -1.11 0.00 0.00 177.39 172.40 1q48 n ASP 21 N 1.84 0.00 0.00 1.96 2.03 -1.26 -4.94 116.55 116.17 1q48 n ASP 21 Ca -0.10 -0.07 0.00 0.00 0.52 0.00 0.00 54.79 55.14 1q48 n ASP 21 Cb 0.15 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.55 1q48 n ASP 21 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1q48 n LYS 22 N 0.00 0.00 -3.16 -0.67 4.01 -1.26 -4.71 118.16 112.37 1q48 n LYS 22 Ca 0.00 0.00 -0.22 0.00 -0.51 0.00 0.00 58.31 57.58 1q48 n LYS 22 Cb 0.03 -4.01 -0.04 0.00 -0.51 0.00 0.00 35.03 30.49 1q48 n LYS 22 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1q48 n LYS 23 N -1.63 1.42 -3.88 1.97 5.02 -1.26 -5.00 118.16 114.81 1q48 n LYS 23 Ca 0.00 -3.70 -0.09 0.00 -2.02 0.00 0.00 58.31 52.50 1q48 n LYS 23 Cb 0.00 -1.73 -0.07 0.00 -0.02 0.00 0.00 35.03 33.21 1q48 n LYS 23 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1q48 s ASP 24 N -2.33 0.10 0.11 4.39 1.01 -1.26 -5.03 116.67 113.67 1q48 s ASP 24 Ca 0.40 -0.70 0.27 0.00 0.71 0.00 0.00 52.55 53.23 1q48 s ASP 24 Cb 0.28 0.36 0.84 0.00 1.01 0.00 0.00 42.92 45.41 1q48 s ASP 24 CO -0.09 -0.76 1.72 -1.54 0.21 0.00 0.00 175.17 174.70 1q48 n SER 25 N -0.09 0.53 -0.93 0.27 3.41 -1.26 -3.09 113.62 112.45 1q48 n SER 25 Ca -0.13 0.41 0.07 0.00 -0.26 0.00 0.00 58.87 58.96 1q48 n SER 25 Cb 0.63 -0.46 0.22 0.00 -0.26 0.00 0.00 64.21 64.33 1q48 n SER 25 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1q48 n ASN 26 N -1.94 2.69 -3.73 4.04 3.02 -1.26 -4.77 115.26 113.31 1q48 n ASN 26 Ca 0.06 -2.05 -0.23 0.00 -0.03 0.00 0.00 54.58 52.33 1q48 n ASN 26 Cb 0.40 -0.35 -0.17 0.00 -0.61 0.00 0.00 39.78 39.05 1q48 n ASN 26 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1q48 s VAL 27 N -1.42 0.27 -0.15 2.41 1.01 -1.18 -1.87 120.40 119.47 1q48 s VAL 27 Ca 0.32 0.05 -0.14 0.00 0.00 0.00 0.00 61.98 62.21 1q48 s VAL 27 Cb 0.18 -0.55 -0.05 0.00 0.00 0.00 0.00 36.38 35.96 1q48 s VAL 27 CO 0.21 0.13 0.31 -0.83 0.00 0.00 0.00 175.10 174.91 1q48 s GLY 28 N 2.00 2.23 0.06 4.51 0.00 -1.02 -4.64 107.32 110.46 1q48 s GLY 28 Ca 0.04 -0.43 0.05 0.00 0.00 0.00 0.00 44.72 44.37 1q48 s GLY 28 CO -0.06 0.44 -0.05 -1.59 0.00 0.00 0.00 173.10 171.85 1q48 s THR 29 N 0.44 3.74 -0.22 0.90 2.01 -1.26 -2.34 115.64 118.92 1q48 s THR 29 Ca 0.17 -0.96 -0.06 0.00 0.31 0.00 0.00 61.69 61.15 1q48 s THR 29 Cb -0.13 -2.72 0.11 0.00 0.01 0.00 0.00 72.50 69.77 1q48 s THR 29 CO 0.04 0.22 0.43 -0.83 -0.69 0.00 0.00 174.62 173.80 1q48 s GLY 30 N -1.94 -0.42 -0.25 4.40 0.00 -0.87 -3.27 107.32 104.97 1q48 s GLY 30 Ca 0.21 1.45 0.01 0.00 0.00 0.00 0.00 44.72 46.40 1q48 s GLY 30 CO 0.13 2.54 -0.04 -0.29 0.00 0.00 0.00 173.10 175.44 1q48 s MET 31 N 2.63 1.59 0.14 2.90 1.75 -1.26 -1.01 119.30 126.04 1q48 s MET 31 Ca 0.02 -1.10 0.00 0.00 -1.25 0.00 0.00 55.69 53.36 1q48 s MET 31 Cb -0.13 -2.63 -0.00 0.00 2.84 0.00 0.00 34.83 34.91 1q48 s MET 31 CO -0.14 -0.65 0.01 1.33 -0.65 0.00 0.00 175.02 174.91 1q48 n VAL 32 N 4.63 0.00 -3.71 10.11 0.24 -0.43 -5.00 118.33 124.17 1q48 n VAL 32 Ca -0.10 -0.68 0.00 0.00 -2.04 0.00 0.00 64.34 61.52 1q48 n VAL 32 Cb 0.44 0.15 0.00 0.00 -1.47 0.00 0.00 33.84 32.96 1q48 n VAL 32 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1q48 n GLY 33 N 3.06 0.84 2.44 7.63 0.00 -1.26 -1.17 105.19 116.73 1q48 n GLY 33 Ca -0.05 -0.90 -0.26 0.00 0.00 0.00 0.00 46.02 44.80 1q48 n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q48 n ALA 34 N -2.67 3.10 0.00 4.61 0.00 0.39 -4.94 120.51 120.99 1q48 n ALA 34 Ca -0.02 -3.83 0.00 0.00 0.00 0.00 0.00 53.44 49.59 1q48 n ALA 34 Cb 0.09 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 18.68 1q48 n ALA 34 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1q48 n PRO 35 N 1.81 0.00 0.00 0.00 -0.02 -1.26 -0.97 135.00 134.55 1q48 n PRO 35 Ca 0.25 0.07 0.14 0.00 -2.02 0.00 0.00 63.50 61.95 1q48 n PRO 35 Cb 0.45 -1.56 0.67 0.00 -0.02 0.00 0.00 33.50 33.05 1q48 n PRO 35 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1q48 n ALA 36 N -0.91 2.37 0.13 3.55 0.00 -1.26 -4.59 120.51 119.80 1q48 n ALA 36 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1q48 n ALA 36 Cb 0.06 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.04 1q48 n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1q48 n GLY 38 N 0.01 -0.29 3.17 0.00 0.00 -1.04 -5.12 105.19 101.92 1q48 n GLY 38 Ca 0.00 -0.02 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 1q48 n GLY 38 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1q48 s ASP 39 N 0.00 2.32 -0.05 1.61 1.01 -1.25 -4.83 116.67 115.49 1q48 s ASP 39 Ca 0.00 -0.37 0.06 0.00 0.71 0.00 0.00 52.55 52.95 1q48 s ASP 39 Cb 0.00 -0.53 -0.01 0.00 1.01 0.00 0.00 42.92 43.38 1q48 s ASP 39 CO 0.00 0.19 -0.24 0.54 0.21 0.00 0.00 175.17 175.87 1q48 s VAL 40 N -0.13 1.97 -0.02 -1.27 0.11 -1.26 -0.46 120.40 119.34 1q48 s VAL 40 Ca -0.01 -1.03 0.02 0.00 -2.93 0.00 0.00 61.98 58.04 1q48 s VAL 40 Cb -0.11 -1.67 0.00 0.00 -1.53 0.00 0.00 36.38 33.08 1q48 s VAL 40 CO 0.02 0.55 -0.07 -0.32 -3.33 0.00 0.00 175.10 171.94 1q48 s MET 41 N -0.20 0.75 -0.08 1.54 0.00 -0.31 -4.00 119.30 117.00 1q48 s MET 41 Ca -0.02 -0.25 0.01 0.00 0.00 0.00 0.00 55.69 55.44 1q48 s MET 41 Cb -0.13 -0.72 0.02 0.00 0.00 0.00 0.00 34.83 34.00 1q48 s MET 41 CO 0.03 0.11 -0.10 -1.14 0.00 0.00 0.00 175.02 173.91 1q48 s GLN 42 N 0.12 1.55 -0.04 4.11 0.74 0.18 -1.31 119.66 125.01 1q48 s GLN 42 Ca -0.01 -0.33 0.02 0.00 0.05 0.00 0.00 55.36 55.09 1q48 s GLN 42 Cb -0.07 -1.39 0.01 0.00 1.10 0.00 0.00 33.01 32.66 1q48 s GLN 42 CO 0.00 -0.07 -0.08 -1.17 -0.55 0.00 0.00 175.29 173.42 1q48 s LEU 43 N 1.00 1.61 -0.04 3.68 0.20 -0.18 0.14 118.68 125.10 1q48 s LEU 43 Ca -0.08 -0.18 0.02 0.00 0.69 0.00 0.00 54.13 54.58 1q48 s LEU 43 Cb -0.15 -0.55 0.01 0.00 -0.43 0.00 0.00 46.19 45.07 1q48 s LEU 43 CO -0.00 0.02 -0.10 -1.58 -0.29 0.00 0.00 176.35 174.40 1q48 s GLN 44 N 0.51 1.20 0.10 1.98 0.74 -0.96 -2.05 119.66 121.19 1q48 s GLN 44 Ca -0.08 -0.33 0.09 0.00 0.05 0.00 0.00 55.36 55.08 1q48 s GLN 44 Cb -0.12 -1.08 -0.04 0.00 1.10 0.00 0.00 33.01 32.88 1q48 s GLN 44 CO 0.01 0.08 -0.18 0.96 -0.55 0.00 0.00 175.29 175.61 1q48 s ILE 45 N 0.39 2.85 -0.09 -2.34 -4.36 -0.99 -1.98 121.20 114.68 1q48 s ILE 45 Ca -0.07 -1.45 0.00 0.00 -0.26 0.00 0.00 60.65 58.88 1q48 s ILE 45 Cb -0.11 -2.29 -0.03 0.00 1.25 0.00 0.00 42.46 41.28 1q48 s ILE 45 CO 0.01 0.14 -0.09 -0.75 0.24 0.00 0.00 174.94 174.49 1q48 s LYS 46 N -2.03 2.99 -0.15 0.37 2.20 -0.61 -2.43 119.74 120.08 1q48 s LYS 46 Ca 0.17 -0.60 -0.01 0.00 -0.36 0.00 0.00 55.97 55.18 1q48 s LYS 46 Cb -0.11 -2.62 0.04 0.00 -1.51 0.00 0.00 37.83 33.64 1q48 s LYS 46 CO 0.09 0.50 -0.06 0.08 -0.36 0.00 0.00 175.35 175.60 1q48 s VAL 47 N -0.37 1.08 0.00 4.02 1.01 -0.78 -3.26 120.40 122.10 1q48 s VAL 47 Ca 0.05 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.50 1q48 s VAL 47 Cb -0.12 -1.21 0.00 0.00 0.00 0.00 0.00 36.38 35.05 1q48 s VAL 47 CO 0.02 0.19 0.00 0.47 0.00 0.00 0.00 175.10 175.79 1q48 n ASP 48 N 4.90 0.00 -2.48 3.32 8.00 -0.91 -4.67 116.55 124.71 1q48 n ASP 48 Ca -0.12 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.36 1q48 n ASP 48 Cb 0.48 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.57 1q48 n ASP 48 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1q48 n ASP 49 N -0.93 0.63 -1.10 -2.24 2.03 -1.22 -3.87 116.55 109.83 1q48 n ASP 49 Ca 0.00 -1.64 0.00 0.00 0.52 0.00 0.00 54.79 53.67 1q48 n ASP 49 Cb 0.00 -0.19 0.00 0.00 -0.72 0.00 0.00 41.12 40.21 1q48 n ASP 49 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1q48 n ASN 50 N 3.06 -1.84 0.00 1.67 3.02 -1.26 -3.44 115.26 116.47 1q48 n ASN 50 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.60 1q48 n ASN 50 Cb 0.10 -0.46 0.00 0.00 -0.61 0.00 0.00 39.78 38.81 1q48 n ASN 50 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1q48 n GLY 51 N -1.10 0.32 3.95 7.41 0.00 -1.25 -4.95 105.19 109.56 1q48 n GLY 51 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1q48 n GLY 51 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1q48 s ILE 52 N -1.93 4.04 -0.36 -0.61 -1.09 -1.22 -4.24 121.20 115.79 1q48 s ILE 52 Ca 0.00 -0.47 -0.15 0.00 -2.23 0.00 0.00 60.65 57.80 1q48 s ILE 52 Cb 0.00 -3.50 -0.01 0.00 -1.58 0.00 0.00 42.46 37.38 1q48 s ILE 52 CO 0.00 -0.35 0.37 -0.63 -1.23 0.00 0.00 174.94 173.09 1q48 s ILE 53 N -2.56 5.17 -0.21 2.92 1.01 -0.46 -2.13 121.20 124.93 1q48 s ILE 53 Ca 0.48 -0.05 0.02 0.00 0.00 0.00 0.00 60.65 61.10 1q48 s ILE 53 Cb -0.10 -3.85 -0.20 0.00 0.01 0.00 0.00 42.46 38.32 1q48 s ILE 53 CO 0.38 -0.14 -0.03 -1.84 0.00 0.00 0.00 174.94 173.30 1q48 n GLU 54 N 5.39 0.68 -4.31 2.79 0.28 -1.20 -0.75 120.64 123.52 1q48 n GLU 54 Ca -0.09 0.17 -0.24 0.00 -0.16 0.00 0.00 57.16 56.84 1q48 n GLU 54 Cb 0.49 -1.57 -0.12 0.00 1.43 0.00 0.00 31.44 31.66 1q48 n GLU 54 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1q48 s ASP 55 N -6.55 2.68 -0.29 -1.84 1.01 -1.26 -4.63 116.67 105.79 1q48 s ASP 55 Ca -0.29 -0.74 -0.01 0.00 0.71 0.00 0.00 52.55 52.23 1q48 s ASP 55 Cb 0.08 -0.16 0.13 0.00 1.01 0.00 0.00 42.92 43.99 1q48 s ASP 55 CO 0.67 0.05 0.28 0.00 0.21 0.00 0.00 175.17 176.38 1q48 s ALA 56 N -1.37 -0.37 0.62 5.23 0.00 -1.26 -1.57 121.76 123.04 1q48 s ALA 56 Ca 0.10 -0.41 0.02 0.00 0.00 0.00 0.00 51.96 51.67 1q48 s ALA 56 Cb -0.09 -1.78 0.09 0.00 0.00 0.00 0.00 23.12 21.34 1q48 s ALA 56 CO 0.05 -1.73 0.86 0.15 0.00 0.00 0.00 175.76 175.10 1q48 s LYS 57 N 2.30 2.12 0.25 0.00 1.02 -0.84 -4.92 119.74 119.66 1q48 s LYS 57 Ca 0.10 -1.13 -0.21 0.00 0.02 0.00 0.00 55.97 54.75 1q48 s LYS 57 Cb -0.14 -2.47 0.06 0.00 -0.52 0.00 0.00 37.83 34.77 1q48 s LYS 57 CO -0.32 -1.05 0.93 -0.59 -0.92 0.00 0.00 175.35 173.40 1q48 s PHE 58 N -2.89 0.04 -0.30 3.18 -0.71 -1.26 -2.26 117.98 113.78 1q48 s PHE 58 Ca 0.62 -0.51 -0.07 0.00 -1.04 0.00 0.00 56.93 55.93 1q48 s PHE 58 Cb -0.07 0.73 0.18 0.00 -1.21 0.00 0.00 43.02 42.66 1q48 s PHE 58 CO 0.41 -1.13 0.81 0.15 -1.34 0.00 0.00 175.22 174.13 1q48 s LYS 59 N -2.49 0.39 -0.36 1.99 1.02 0.12 -4.96 119.74 115.45 1q48 s LYS 59 Ca 0.18 0.70 0.01 0.00 0.02 0.00 0.00 55.97 56.88 1q48 s LYS 59 Cb -0.03 0.39 0.11 0.00 -0.52 0.00 0.00 37.83 37.78 1q48 s LYS 59 CO 0.07 -0.42 0.14 0.95 -0.92 0.00 0.00 175.35 175.17 1q48 s THR 60 N 2.90 1.29 -0.35 2.17 -4.23 -1.26 -0.65 115.64 115.51 1q48 s THR 60 Ca 0.10 -1.95 -0.01 0.00 -1.18 0.00 0.00 61.69 58.65 1q48 s THR 60 Cb -0.13 -1.95 0.08 0.00 1.34 0.00 0.00 72.50 71.85 1q48 s THR 60 CO -0.16 -0.74 0.09 -0.31 -0.54 0.00 0.00 174.62 172.96 1q48 s TYR 61 N 1.07 3.48 0.00 3.99 2.02 -1.26 -4.65 117.35 122.01 1q48 s TYR 61 Ca 0.13 -2.30 0.00 0.00 -0.37 0.00 0.00 57.07 54.52 1q48 s TYR 61 Cb -0.20 -2.70 0.00 0.00 -0.40 0.00 0.00 41.96 38.66 1q48 s TYR 61 CO -0.14 -0.90 0.00 0.41 -1.57 0.00 0.00 175.55 173.35 1q48 n GLY 62 N 4.54 1.41 3.28 0.71 0.00 -1.26 -4.64 105.19 109.22 1q48 n GLY 62 Ca -0.06 -0.11 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 1q48 n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q48 n GLY 64 N 4.91 1.31 0.00 0.00 0.00 -1.26 -2.53 105.19 107.63 1q48 n GLY 64 Ca -0.10 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.07 1q48 n GLY 64 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1q48 n SER 65 N 11.56 0.00 0.00 1.61 3.41 -1.26 -4.94 113.62 124.00 1q48 n SER 65 Ca 0.47 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.08 1q48 n SER 65 Cb 0.43 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 1q48 n SER 65 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1q48 n ALA 66 N 0.00 1.23 0.05 7.33 0.00 -1.05 -2.13 120.51 125.94 1q48 n ALA 66 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1q48 n ALA 66 Cb 0.00 -0.82 -0.08 0.00 0.00 0.00 0.00 19.45 18.55 1q48 n ALA 66 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1q48 h ILE 67 N 0.00 0.84 0.00 0.00 5.03 -1.90 -3.06 117.51 118.43 1q48 h ILE 67 Ca 0.00 -1.16 0.00 0.00 -0.12 0.00 0.00 64.86 63.58 1q48 h ILE 67 Cb 0.00 1.42 0.00 0.00 -3.03 0.00 0.00 36.82 35.21 1q48 h ILE 67 CO 0.00 0.22 0.00 0.00 -0.68 0.00 0.00 178.15 177.69 1q48 n ALA 68 N -2.58 0.00 -0.31 1.87 0.00 -0.91 0.14 120.51 118.73 1q48 n ALA 68 Ca -0.07 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.52 1q48 n ALA 68 Cb 0.26 0.37 0.34 0.00 0.00 0.00 0.00 19.45 20.42 1q48 n ALA 68 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1q48 h SER 69 N 0.00 0.19 -0.97 0.00 0.87 -1.78 0.76 113.55 112.62 1q48 h SER 69 Ca 0.00 0.19 0.22 0.00 -1.23 0.00 0.00 61.79 60.97 1q48 h SER 69 Cb 0.00 0.21 -0.08 0.00 -0.44 0.00 0.00 62.40 62.09 1q48 h SER 69 CO 0.00 -0.12 0.62 -1.28 -0.53 0.00 0.00 176.83 175.53 1q48 h SER 70 N 0.28 0.49 0.73 6.23 0.87 0.14 0.39 113.55 122.68 1q48 h SER 70 Ca 0.60 0.06 -0.19 0.00 -1.23 0.00 0.00 61.79 61.04 1q48 h SER 70 Cb 1.24 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 63.16 1q48 h SER 70 CO -0.62 0.17 -0.86 0.77 -0.53 0.00 0.00 176.83 175.76 1q48 h SER 71 N 0.48 0.11 0.17 6.23 4.64 0.15 -2.41 113.55 122.92 1q48 h SER 71 Ca 0.53 -0.10 -0.01 0.00 -0.47 0.00 0.00 61.79 61.74 1q48 h SER 71 Cb 1.22 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1q48 h SER 71 CO -0.25 0.92 -0.08 0.25 -0.87 0.00 0.00 176.83 176.80 1q48 h LEU 72 N 0.05 -0.20 -0.28 5.97 5.85 0.11 -1.69 115.31 125.11 1q48 h LEU 72 Ca -0.03 -0.32 0.02 0.00 0.84 0.00 0.00 57.88 58.39 1q48 h LEU 72 Cb 1.50 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.55 1q48 h LEU 72 CO 0.12 0.35 0.12 -0.29 -0.34 0.00 0.00 178.44 178.41 1q48 h ILE 73 N -0.89 0.96 -0.39 4.05 2.10 -0.92 0.18 117.51 122.60 1q48 h ILE 73 Ca -0.02 -0.09 -0.01 0.00 1.08 0.00 0.00 64.86 65.82 1q48 h ILE 73 Cb 0.51 0.68 -0.02 0.00 -1.09 0.00 0.00 36.82 36.89 1q48 h ILE 73 CO 0.04 0.05 0.19 0.71 -1.08 0.00 0.00 178.15 178.06 1q48 h THR 74 N 0.26 1.13 -0.00 2.19 1.35 -1.52 -0.24 112.91 116.08 1q48 h THR 74 Ca 0.12 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 1q48 h THR 74 Cb 0.06 0.63 0.00 0.00 -1.73 0.00 0.00 68.15 67.12 1q48 h THR 74 CO -0.10 0.15 -0.16 -0.62 -0.25 0.00 0.00 175.52 174.54 1q48 n GLU 75 N -4.42 0.28 0.04 4.72 1.02 -0.64 -2.25 120.64 119.39 1q48 n GLU 75 Ca 0.03 -0.09 -0.18 0.00 -0.02 0.00 0.00 57.16 56.90 1q48 n GLU 75 Cb 0.11 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 29.89 1q48 n GLU 75 CO 0.00 0.00 0.00 -1.49 1.18 0.00 0.00 177.13 176.82 1q48 h TRP 76 N 0.21 0.44 0.00 -0.32 4.06 0.11 -3.36 115.95 117.09 1q48 h TRP 76 Ca 0.00 -0.32 -0.23 0.00 2.06 0.00 0.00 58.89 60.40 1q48 h TRP 76 Cb 0.44 -0.02 -0.04 0.00 -1.00 0.00 0.00 29.16 28.54 1q48 h TRP 76 CO 0.00 1.49 -1.46 -0.39 -3.56 0.00 0.00 178.44 174.53 1q48 h VAL 77 N 0.07 0.84 -0.33 1.49 -1.51 -1.51 -3.41 116.25 111.88 1q48 h VAL 77 Ca -0.32 -2.54 -0.32 0.00 -1.23 0.00 0.00 66.70 62.30 1q48 h VAL 77 Cb 2.04 2.35 -0.06 0.00 -2.13 0.00 0.00 31.29 33.48 1q48 h VAL 77 CO 0.13 0.48 1.41 1.17 -1.23 0.00 0.00 177.57 179.53 1q48 n LYS 78 N -3.04 0.30 0.00 5.19 4.81 -0.95 0.16 118.16 124.62 1q48 n LYS 78 Ca -0.11 -0.21 0.00 0.00 -0.87 0.00 0.00 58.31 57.11 1q48 n LYS 78 Cb 0.95 -2.16 0.00 0.00 0.02 0.00 0.00 35.03 33.84 1q48 n LYS 78 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1q48 n GLY 79 N 6.13 0.97 0.00 3.14 0.00 0.07 -5.00 105.19 110.49 1q48 n GLY 79 Ca 0.58 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.60 1q48 n GLY 79 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1q48 n LYS 80 N 0.00 0.11 -4.37 1.61 5.02 0.43 -4.46 118.16 116.51 1q48 n LYS 80 Ca 0.00 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.10 1q48 n LYS 80 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 34.91 1q48 n LYS 80 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1q48 s SER 81 N -1.29 2.38 0.34 4.39 0.01 -1.26 -1.36 113.70 116.90 1q48 s SER 81 Ca 0.00 -1.14 0.05 0.00 1.31 0.00 0.00 55.95 56.17 1q48 s SER 81 Cb 0.00 -0.10 0.70 0.00 0.21 0.00 0.00 66.02 66.83 1q48 s SER 81 CO 0.00 -0.35 1.90 -0.07 0.41 0.00 0.00 173.24 175.13 1q48 h LEU 82 N 2.44 0.75 -1.75 2.44 3.38 -1.94 0.16 115.31 120.78 1q48 h LEU 82 Ca -0.39 0.02 0.11 0.00 0.09 0.00 0.00 57.88 57.71 1q48 h LEU 82 Cb 1.22 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.81 1q48 h LEU 82 CO 0.65 0.43 0.37 -0.08 0.09 0.00 0.00 178.44 179.91 1q48 h GLU 83 N 0.82 0.27 0.14 1.13 4.22 -1.94 0.14 114.58 119.37 1q48 h GLU 83 Ca 0.40 -0.02 -0.28 0.00 0.08 0.00 0.00 59.36 59.55 1q48 h GLU 83 Cb 0.45 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.65 1q48 h GLU 83 CO -0.17 0.18 -1.35 0.93 -2.18 0.00 0.00 179.01 176.42 1q48 h GLU 84 N 0.28 0.31 -0.08 1.92 5.08 -1.15 -3.31 114.58 117.63 1q48 h GLU 84 Ca 0.26 -0.52 -0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1q48 h GLU 84 Cb 0.63 0.19 -0.00 0.00 0.50 0.00 0.00 28.75 30.07 1q48 h GLU 84 CO -0.06 1.25 0.03 0.00 -1.00 0.00 0.00 179.01 179.23 1q48 h ALA 85 N 0.02 1.90 -0.46 3.43 0.00 -0.49 -1.91 119.26 121.76 1q48 h ALA 85 Ca -0.27 -0.03 -0.37 0.00 0.00 0.00 0.00 54.91 54.24 1q48 h ALA 85 Cb 1.83 -0.04 -0.14 0.00 0.00 0.00 0.00 17.79 19.44 1q48 h ALA 85 CO 0.12 0.08 0.35 0.41 0.00 0.00 0.00 179.25 180.21 1q48 n GLY 86 N -1.46 4.09 0.00 0.00 0.00 0.42 -3.87 105.19 104.37 1q48 n GLY 86 Ca -0.02 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.66 1q48 n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q48 n ALA 87 N 0.67 0.24 -1.02 4.61 0.00 -0.75 -4.99 120.51 119.27 1q48 n ALA 87 Ca 0.36 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.46 1q48 n ALA 87 Cb 0.59 0.00 0.10 0.00 0.00 0.00 0.00 19.45 20.13 1q48 n ALA 87 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1q48 n ILE 88 N -1.10 0.93 -4.36 0.00 -5.35 -1.03 -5.01 119.36 103.44 1q48 n ILE 88 Ca 0.00 -0.28 -0.18 0.00 -0.27 0.00 0.00 62.75 62.02 1q48 n ILE 88 Cb 0.00 -0.72 -0.10 0.00 -1.74 0.00 0.00 39.64 37.08 1q48 n ILE 88 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1q48 s LYS 89 N -3.31 1.40 0.36 6.28 1.02 -1.26 -5.03 119.74 119.20 1q48 s LYS 89 Ca 0.62 -1.70 0.12 0.00 0.02 0.00 0.00 55.97 55.03 1q48 s LYS 89 Cb -0.27 -0.81 0.67 0.00 -0.52 0.00 0.00 37.83 36.89 1q48 s LYS 89 CO 0.62 -0.04 1.80 -2.95 -0.92 0.00 0.00 175.35 173.86 1q48 h ASN 90 N 2.42 0.01 0.04 2.83 -1.07 -1.95 -2.44 115.58 115.41 1q48 h ASN 90 Ca -0.39 -0.00 -0.01 0.00 0.07 0.00 0.00 56.30 55.97 1q48 h ASN 90 Cb 1.22 -0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 37.47 1q48 h ASN 90 CO 0.65 0.41 -0.03 0.77 0.07 0.00 0.00 177.43 179.31 1q48 h SER 91 N 0.01 0.00 0.55 6.14 4.64 -1.96 -0.31 113.55 122.63 1q48 h SER 91 Ca -0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.29 1q48 h SER 91 Cb 0.72 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.81 1q48 h SER 91 CO 0.05 0.03 -0.31 1.56 -0.87 0.00 0.00 176.83 177.29 1q48 h GLN 92 N 0.00 -0.78 -0.31 4.77 1.08 -1.85 -1.29 115.11 116.72 1q48 h GLN 92 Ca -0.00 0.05 -0.17 0.00 -1.45 0.00 0.00 58.65 57.09 1q48 h GLN 92 Cb 0.05 0.18 -0.00 0.00 -0.05 0.00 0.00 27.48 27.66 1q48 h GLN 92 CO 0.00 -0.52 -0.46 0.82 -0.95 0.00 0.00 178.83 177.72 1q48 h ILE 93 N -0.81 1.28 -0.65 2.54 5.03 -1.61 -2.13 117.51 121.16 1q48 h ILE 93 Ca -0.07 -1.65 0.16 0.00 -0.12 0.00 0.00 64.86 63.18 1q48 h ILE 93 Cb 0.65 1.53 -0.04 0.00 -3.03 0.00 0.00 36.82 35.93 1q48 h ILE 93 CO 0.09 0.54 0.45 0.00 -0.68 0.00 0.00 178.15 178.55 1q48 h ALA 94 N 0.81 2.34 0.14 1.87 0.00 -0.91 0.13 119.26 123.64 1q48 h ALA 94 Ca 0.04 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.66 1q48 h ALA 94 Cb 1.04 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.84 1q48 h ALA 94 CO 0.10 -0.52 -1.36 0.93 0.00 0.00 0.00 179.25 178.40 1q48 h GLU 95 N 0.19 0.30 0.00 0.00 4.39 -1.01 -0.63 114.58 117.82 1q48 h GLU 95 Ca 0.31 -0.51 -0.01 0.00 0.34 0.00 0.00 59.36 59.49 1q48 h GLU 95 Cb 0.97 0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 29.81 1q48 h GLU 95 CO -0.06 1.24 -0.06 1.49 -1.16 0.00 0.00 179.01 180.47 1q48 h GLU 96 N -0.22 0.00 0.02 2.33 4.22 -0.66 -2.93 114.58 117.34 1q48 h GLU 96 Ca -0.28 0.00 -0.38 0.00 0.08 0.00 0.00 59.36 58.78 1q48 h GLU 96 Cb 1.82 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 31.01 1q48 h GLU 96 CO 0.11 0.06 -2.34 1.28 -2.18 0.00 0.00 179.01 175.95 1q48 n LEU 97 N -3.47 2.33 -2.42 1.64 4.77 0.36 -5.05 117.00 115.16 1q48 n LEU 97 Ca -0.02 -0.02 -0.02 0.00 -0.03 0.00 0.00 56.01 55.92 1q48 n LEU 97 Cb 0.19 -0.67 0.00 0.00 -2.33 0.00 0.00 43.42 40.61 1q48 n LEU 97 CO 0.27 0.83 0.15 1.21 -1.33 0.00 0.00 177.39 178.52 1q48 n GLU 98 N -3.21 -1.05 -4.35 3.23 4.07 -0.24 -5.05 120.64 114.03 1q48 n GLU 98 Ca -0.40 1.26 -0.25 0.00 -0.06 0.00 0.00 57.16 57.71 1q48 n GLU 98 Cb 1.03 -4.14 -0.13 0.00 -0.06 0.00 0.00 31.44 28.15 1q48 n GLU 98 CO 0.00 0.00 0.00 -0.48 -0.06 0.00 0.00 177.13 176.59 1q48 s LEU 99 N -2.82 2.28 0.83 4.31 2.34 -1.25 -5.08 118.68 119.30 1q48 s LEU 99 Ca 0.05 -0.67 -0.12 0.00 0.06 0.00 0.00 54.13 53.46 1q48 s LEU 99 Cb -0.01 -0.93 0.10 0.00 -0.56 0.00 0.00 46.19 44.78 1q48 s LEU 99 CO 0.47 0.09 1.17 -2.16 -1.06 0.00 0.00 176.35 174.85 1q48 s PRO 100 N -1.80 1.55 0.00 1.48 0.04 -1.26 -4.85 135.00 130.15 1q48 s PRO 100 Ca 0.07 1.61 0.00 0.00 0.04 0.00 0.00 61.00 62.72 1q48 s PRO 100 Cb -0.10 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.66 1q48 s PRO 100 CO 0.04 -2.25 0.36 -0.35 0.04 0.00 0.00 177.00 174.84 1q48 n PRO 101 N -3.60 0.48 -0.57 0.56 -0.04 -1.26 -2.93 135.00 127.64 1q48 n PRO 101 Ca 0.12 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.66 1q48 n PRO 101 Cb 0.51 -1.12 0.31 0.00 -0.04 0.00 0.00 33.50 33.17 1q48 n PRO 101 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1q48 n VAL 102 N -0.12 2.06 -1.93 0.52 0.24 -1.26 -4.34 118.33 113.50 1q48 n VAL 102 Ca 0.00 -1.42 0.00 0.00 -2.04 0.00 0.00 64.34 60.88 1q48 n VAL 102 Cb 0.06 -0.02 0.00 0.00 -1.47 0.00 0.00 33.84 32.41 1q48 n VAL 102 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1q48 n LYS 103 N 0.46 0.00 0.14 7.34 4.81 -1.15 -4.88 118.16 124.88 1q48 n LYS 103 Ca 0.23 -0.38 0.08 0.00 -0.87 0.00 0.00 58.31 57.38 1q48 n LYS 103 Cb 0.90 -0.21 0.44 0.00 0.02 0.00 0.00 35.03 36.18 1q48 n LYS 103 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1q48 n VAL 104 N 0.00 1.06 -0.03 3.15 0.31 -1.26 -1.77 118.33 119.79 1q48 n VAL 104 Ca 0.00 0.70 0.24 0.00 -0.01 0.00 0.00 64.34 65.27 1q48 n VAL 104 Cb 0.57 -1.70 0.71 0.00 -0.91 0.00 0.00 33.84 32.51 1q48 n VAL 104 CO 0.00 0.00 0.00 0.45 -1.32 0.00 0.00 176.83 175.96 1q48 h HIS 105 N 0.00 0.00 0.00 3.52 3.86 -1.93 -1.39 115.15 119.21 1q48 h HIS 105 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1q48 h HIS 105 Cb 0.16 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.63 1q48 h HIS 105 CO 0.00 0.00 0.00 0.00 0.86 0.00 0.00 177.93 178.79 1q48 n SER 107 N -1.12 0.09 0.14 0.00 7.64 -1.14 0.12 113.62 119.36 1q48 n SER 107 Ca 0.00 0.98 -0.13 0.00 1.01 0.00 0.00 58.87 60.74 1q48 n SER 107 Cb 0.00 -0.49 -0.08 0.00 -1.01 0.00 0.00 64.21 62.64 1q48 n SER 107 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1q48 h ILE 108 N 0.00 0.67 0.00 0.44 2.04 -1.33 -2.60 117.51 116.73 1q48 h ILE 108 Ca 0.75 -0.69 0.00 0.00 1.00 0.00 0.00 64.86 65.91 1q48 h ILE 108 Cb 2.71 1.00 0.00 0.00 -0.74 0.00 0.00 36.82 39.79 1q48 h ILE 108 CO -0.20 0.13 0.01 -0.07 0.00 0.00 0.00 178.15 178.02 1q48 h LEU 109 N -0.81 0.00 0.20 1.44 4.07 0.13 0.70 115.31 121.03 1q48 h LEU 109 Ca -0.04 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.91 1q48 h LEU 109 Cb 0.51 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.26 1q48 h LEU 109 CO 0.07 0.00 -0.09 0.00 -1.08 0.00 0.00 178.44 177.33 1q48 h ALA 110 N 1.98 -0.45 -0.31 1.53 0.00 -0.86 -1.89 119.26 119.26 1q48 h ALA 110 Ca 0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1q48 h ALA 110 Cb 0.02 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1q48 h ALA 110 CO 0.00 -0.43 0.08 1.49 0.00 0.00 0.00 179.25 180.40 1q48 h GLU 111 N -0.58 0.49 -0.81 0.00 4.22 -1.29 -2.35 114.58 114.26 1q48 h GLU 111 Ca -0.03 -0.11 0.13 0.00 0.08 0.00 0.00 59.36 59.43 1q48 h GLU 111 Cb 0.20 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.33 1q48 h GLU 111 CO 0.04 0.55 0.53 0.22 -2.18 0.00 0.00 179.01 178.18 1q48 h ASP 112 N 0.35 0.55 0.67 1.04 1.82 -1.00 -1.77 116.42 118.07 1q48 h ASP 112 Ca 0.10 0.03 -0.03 0.00 -0.39 0.00 0.00 57.03 56.73 1q48 h ASP 112 Cb 0.27 -0.08 0.01 0.00 0.68 0.00 0.00 39.33 40.21 1q48 h ASP 112 CO -0.00 0.29 -0.32 0.00 -1.61 0.00 0.00 179.24 177.60 1q48 h ALA 113 N 1.62 -0.90 -1.00 -0.78 0.00 -0.81 -2.31 119.26 115.07 1q48 h ALA 113 Ca 0.40 -0.21 0.24 0.00 0.00 0.00 0.00 54.91 55.34 1q48 h ALA 113 Cb 0.71 0.35 -0.09 0.00 0.00 0.00 0.00 17.79 18.76 1q48 h ALA 113 CO -0.16 -0.93 0.65 0.97 0.00 0.00 0.00 179.25 179.78 1q48 h ILE 114 N -1.06 0.58 -0.63 0.00 6.09 -1.09 0.44 117.51 121.83 1q48 h ILE 114 Ca -0.09 -0.15 -0.04 0.00 -1.37 0.00 0.00 64.86 63.21 1q48 h ILE 114 Cb 0.73 0.11 -0.03 0.00 0.47 0.00 0.00 36.82 38.10 1q48 h ILE 114 CO 0.15 0.08 0.22 0.50 -3.07 0.00 0.00 178.15 176.03 1q48 h LYS 115 N 0.43 0.95 -0.34 2.19 3.64 -0.98 -1.40 116.57 121.06 1q48 h LYS 115 Ca 0.56 -0.17 -0.12 0.00 -1.27 0.00 0.00 60.65 59.65 1q48 h LYS 115 Cb 1.36 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 33.02 1q48 h LYS 115 CO -0.27 0.80 -0.26 0.00 -2.27 0.00 0.00 179.45 177.44 1q48 h ALA 116 N 1.32 0.49 -0.82 5.00 0.00 0.38 -1.01 119.26 124.61 1q48 h ALA 116 Ca 0.21 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1q48 h ALA 116 Cb 0.23 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 1q48 h ALA 116 CO -0.01 0.49 0.39 0.00 0.00 0.00 0.00 179.25 180.11 1q48 h ALA 117 N 0.75 1.14 -0.31 0.00 0.00 -0.99 -0.78 119.26 119.06 1q48 h ALA 117 Ca 0.06 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.65 1q48 h ALA 117 Cb 0.83 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1q48 h ALA 117 CO 0.07 0.65 -0.43 0.82 0.00 0.00 0.00 179.25 180.35 1q48 h ILE 118 N 1.17 1.28 -0.30 0.00 2.04 -1.15 0.26 117.51 120.82 1q48 h ILE 118 Ca 0.28 -1.62 -0.01 0.00 1.00 0.00 0.00 64.86 64.52 1q48 h ILE 118 Cb 0.13 1.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 1q48 h ILE 118 CO -0.03 0.53 0.16 0.00 0.00 0.00 0.00 178.15 178.80 1q48 h ALA 119 N 0.70 0.38 0.00 1.87 0.00 -0.82 -1.21 119.26 120.18 1q48 h ALA 119 Ca 0.03 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1q48 h ALA 119 Cb 1.03 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1q48 h ALA 119 CO 0.10 -0.08 0.00 -0.44 0.00 0.00 0.00 179.25 178.83 1q48 h ASP 120 N 0.36 0.00 0.85 0.00 3.32 -1.13 -1.21 116.42 118.61 1q48 h ASP 120 Ca 0.10 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.93 1q48 h ASP 120 Cb 0.08 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 1q48 h ASP 120 CO -0.02 0.00 -1.04 0.22 -1.72 0.00 0.00 179.24 176.68 1q48 h TYR 121 N 0.00 0.16 0.00 4.55 3.20 -0.03 -3.08 116.97 121.77 1q48 h TYR 121 Ca 0.00 -0.11 -0.09 0.00 3.14 0.00 0.00 58.73 61.67 1q48 h TYR 121 Cb 0.63 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.87 1q48 h TYR 121 CO 0.00 1.06 -1.58 1.17 -1.64 0.00 0.00 178.16 177.18 1q48 n LYS 122 N -3.44 0.64 0.20 1.82 4.81 -0.54 -3.97 118.16 117.68 1q48 n LYS 122 Ca -0.03 0.03 0.14 0.00 -0.87 0.00 0.00 58.31 57.58 1q48 n LYS 122 Cb 0.94 -1.69 0.38 0.00 0.02 0.00 0.00 35.03 34.67 1q48 n LYS 122 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1q48 h ALA 123 N 1.74 1.00 0.00 3.14 0.00 -1.30 -3.13 119.26 120.71 1q48 h ALA 123 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1q48 h ALA 123 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1q48 h ALA 123 CO 0.02 0.00 0.00 1.17 0.00 0.00 0.00 179.25 180.44 1q48 n LYS 124 N -2.85 0.59 -2.57 0.00 3.00 -1.16 -2.90 118.16 112.26 1q48 n LYS 124 Ca 0.03 0.00 -0.02 0.00 -0.00 0.00 0.00 58.31 58.32 1q48 n LYS 124 Cb 0.42 -1.27 0.12 0.00 0.00 0.00 0.00 35.03 34.30 1q48 n LYS 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1q48 n GLN 125 N 0.14 1.23 0.00 1.64 10.64 -1.18 -4.75 117.38 125.10 1q48 n GLN 125 Ca 0.00 -1.14 0.00 0.00 -1.83 0.00 0.00 57.00 54.03 1q48 n GLN 125 Cb 0.13 0.36 0.00 0.00 -0.86 0.00 0.00 30.24 29.88 1q48 n GLN 125 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1q48 n GLY 126 N -1.36 0.37 0.14 2.61 0.00 -1.14 -4.87 105.19 100.93 1q48 n GLY 126 Ca -0.16 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.99 1q48 n GLY 126 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1q48 h LEU 127 N 0.00 0.00 0.00 0.99 4.07 -1.96 -3.48 115.31 114.93 1q48 h LEU 127 Ca 0.00 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.94 1q48 h LEU 127 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 1q48 h LEU 127 CO 0.00 0.01 0.00 -0.62 -1.08 0.00 0.00 178.44 176.75 1q48 n GLU 128 N -2.58 0.00 -3.60 1.13 1.02 -1.26 -4.77 120.64 110.59 1q48 n GLU 128 Ca 0.04 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 57.01 1q48 n GLU 128 Cb 0.48 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.85 1q48 n GLU 128 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92 1q48 n HIS 129 N 14.00 0.27 0.00 -0.32 1.44 -1.26 -5.07 115.22 124.28 1q48 n HIS 129 Ca 0.00 -1.67 0.00 0.00 -2.01 0.00 0.00 57.72 54.04 1q48 n HIS 129 Cb 0.00 -0.06 0.00 0.00 0.12 0.00 0.00 29.99 30.05 1q48 n HIS 129 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 1q48 n HIS 130 N -0.65 0.00 -4.22 -1.40 8.25 -1.26 -5.11 115.22 110.83 1q48 n HIS 130 Ca -0.06 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.23 1q48 n HIS 130 Cb 0.40 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.37 1q48 n HIS 130 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1q48 s HIS 131 N -0.71 0.61 -0.41 4.41 2.46 -1.26 -5.07 115.29 115.32 1q48 s HIS 131 Ca 0.00 -0.15 0.04 0.00 0.47 0.00 0.00 55.06 55.42 1q48 s HIS 131 Cb 0.00 -0.39 0.29 0.00 -0.13 0.00 0.00 32.58 32.35 1q48 s HIS 131 CO 0.00 -0.01 1.15 -2.39 -2.47 0.00 0.00 174.74 171.02 1q48 n HIS 132 N 2.78 -1.94 -1.40 3.88 -0.00 -1.26 -5.13 115.22 112.16 1q48 n HIS 132 Ca -0.14 -1.40 -0.51 0.00 -0.00 0.00 0.00 57.72 55.66 1q48 n HIS 132 Cb 0.57 1.40 -0.05 0.00 -0.00 0.00 0.00 29.99 31.91 1q48 n HIS 132 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 1q48 n HIS 133 N 0.98 0.07 1.50 -1.40 1.44 -1.26 -5.30 115.22 111.24 1q48 n HIS 133 Ca 0.03 0.98 0.14 0.00 -2.01 0.00 0.00 57.72 56.86 1q48 n HIS 133 Cb 0.70 -1.95 0.53 0.00 0.12 0.00 0.00 29.99 29.38 1q48 n HIS 133 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11