#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q48 s ALA 2 N 0.00 0.59 -0.07 3.04 0.00 -1.26 -5.16 121.76 118.91 1q48 s ALA 2 Ca 0.00 -1.37 0.03 0.00 0.00 0.00 0.00 51.96 50.62 1q48 s ALA 2 Cb 0.00 1.23 0.00 0.00 0.00 0.00 0.00 23.12 24.35 1q48 s ALA 2 CO 0.00 -0.74 -0.17 0.71 0.00 0.00 0.00 175.76 175.57 1q48 s TYR 3 N -3.85 1.80 -0.03 0.00 2.02 -1.26 -5.13 117.35 110.90 1q48 s TYR 3 Ca 0.31 -0.64 0.06 0.00 -0.37 0.00 0.00 57.07 56.43 1q48 s TYR 3 Cb 0.02 -1.25 -0.01 0.00 -0.40 0.00 0.00 41.96 40.33 1q48 s TYR 3 CO 0.13 -0.27 -0.20 0.45 -1.57 0.00 0.00 175.55 174.10 1q48 s SER 4 N 0.37 2.38 0.00 2.29 0.15 -1.26 -4.99 113.70 112.63 1q48 s SER 4 Ca -0.12 -0.38 0.00 0.00 0.70 0.00 0.00 55.95 56.15 1q48 s SER 4 Cb -0.15 -0.45 0.00 0.00 -1.71 0.00 0.00 66.02 63.72 1q48 s SER 4 CO 0.04 0.22 0.00 -0.62 1.20 0.00 0.00 173.24 174.08 1q48 n GLU 5 N 2.82 0.00 0.16 5.44 -0.58 -1.26 -5.04 120.64 122.17 1q48 n GLU 5 Ca -0.16 0.13 0.00 0.00 -0.42 0.00 0.00 57.16 56.71 1q48 n GLU 5 Cb 0.53 -0.52 0.00 0.00 -0.57 0.00 0.00 31.44 30.88 1q48 n GLU 5 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1q48 n LYS 6 N -1.73 0.00 -2.62 3.49 3.00 -1.26 -5.12 118.16 113.92 1q48 n LYS 6 Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 58.31 58.04 1q48 n LYS 6 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1q48 n LYS 6 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 1q48 s VAL 7 N -2.00 4.67 0.24 3.15 -7.23 -1.26 -4.97 120.40 113.01 1q48 s VAL 7 Ca 0.00 0.13 -0.20 0.00 -1.81 0.00 0.00 61.98 60.10 1q48 s VAL 7 Cb 0.00 -3.78 -0.13 0.00 0.56 0.00 0.00 36.38 33.03 1q48 s VAL 7 CO 0.00 -0.76 0.25 -0.38 -0.31 0.00 0.00 175.10 173.89 1q48 n ILE 8 N -2.30 1.07 -3.79 -0.62 2.08 -1.26 -4.92 119.36 109.62 1q48 n ILE 8 Ca 0.01 -0.40 -0.20 0.00 0.56 0.00 0.00 62.75 62.72 1q48 n ILE 8 Cb 0.56 0.00 -0.02 0.00 -0.75 0.00 0.00 39.64 39.43 1q48 n ILE 8 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 1q48 s ASP 9 N -0.81 6.15 -0.05 4.38 2.15 -1.26 -5.00 116.67 122.22 1q48 s ASP 9 Ca 0.50 -0.04 -0.01 0.00 0.43 0.00 0.00 52.55 53.43 1q48 s ASP 9 Cb -0.63 -1.60 -0.03 0.00 -0.30 0.00 0.00 42.92 40.35 1q48 s ASP 9 CO 0.48 -0.20 -0.00 -1.00 -0.17 0.00 0.00 175.17 174.27 1q48 s HIS 10 N -2.06 3.12 -0.58 -5.34 3.76 -1.26 -4.99 115.29 107.93 1q48 s HIS 10 Ca 0.38 0.15 0.24 0.00 -0.15 0.00 0.00 55.06 55.68 1q48 s HIS 10 Cb -0.09 -1.74 0.34 0.00 1.11 0.00 0.00 32.58 32.20 1q48 s HIS 10 CO 0.30 0.46 1.34 0.10 -0.85 0.00 0.00 174.74 176.08 1q48 h TYR 11 N 4.87 0.00 0.00 1.40 -0.00 -2.03 -3.49 116.97 117.72 1q48 h TYR 11 Ca -0.50 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.23 1q48 h TYR 11 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.92 1q48 h TYR 11 CO 0.62 0.00 0.00 0.39 -0.00 0.00 0.00 178.16 179.17 1q48 n GLU 12 N -2.25 0.00 -2.45 0.10 1.02 -1.26 -4.65 120.64 111.14 1q48 n GLU 12 Ca 0.03 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.81 1q48 n GLU 12 Cb 0.46 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.85 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 -4.00 6.54 0.00 1.62 0.02 -1.26 -4.91 114.94 112.95 1q48 s ASN 13 Ca 0.00 2.11 0.04 0.00 -1.02 0.00 0.00 52.86 53.99 1q48 s ASN 13 Cb 0.00 -2.59 0.24 0.00 0.02 0.00 0.00 41.25 38.92 1q48 s ASN 13 CO 0.00 -0.65 0.90 -0.81 0.02 0.00 0.00 177.10 176.56 1q48 n PRO 14 N -0.28 0.72 0.10 -0.60 -0.04 -1.26 -4.16 135.00 129.48 1q48 n PRO 14 Ca 0.06 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.53 1q48 n PRO 14 Cb 0.49 -1.09 0.05 0.00 -0.04 0.00 0.00 33.50 32.92 1q48 n PRO 14 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1q48 n ARG 15 N -0.59 0.02 -1.77 0.54 1.85 -1.26 -4.06 116.66 111.39 1q48 n ARG 15 Ca 0.03 0.33 -0.19 0.00 -1.00 0.00 0.00 57.85 57.02 1q48 n ARG 15 Cb 0.01 -2.12 -0.07 0.00 -1.05 0.00 0.00 32.46 29.23 1q48 n ARG 15 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 1q48 s ASN 16 N -2.49 4.28 -0.40 2.89 0.01 -1.26 -4.84 114.94 113.13 1q48 s ASN 16 Ca -0.00 -0.57 -0.38 0.00 -0.71 0.00 0.00 52.86 51.20 1q48 s ASN 16 Cb 0.01 -2.57 -0.16 0.00 0.41 0.00 0.00 41.25 38.94 1q48 s ASN 16 CO 0.02 -3.65 1.36 1.33 -1.51 0.00 0.00 177.10 174.64 1q48 n VAL 17 N 8.47 0.00 -3.63 1.60 0.24 -1.26 -4.85 118.33 118.90 1q48 n VAL 17 Ca 0.44 0.00 -0.05 0.00 -2.04 0.00 0.00 64.34 62.69 1q48 n VAL 17 Cb 0.45 -0.40 0.02 0.00 -1.47 0.00 0.00 33.84 32.44 1q48 n VAL 17 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1q48 n GLY 18 N 3.65 1.12 0.21 7.63 0.00 -1.26 -5.15 105.19 111.39 1q48 n GLY 18 Ca 0.28 -1.16 0.03 0.00 0.00 0.00 0.00 46.02 45.17 1q48 n GLY 18 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1q48 n SER 19 N -1.29 -1.27 -0.13 1.61 3.41 -1.26 -4.78 113.62 109.91 1q48 n SER 19 Ca -0.05 0.10 -0.27 0.00 -0.26 0.00 0.00 58.87 58.39 1q48 n SER 19 Cb 0.42 -0.65 -0.10 0.00 -0.26 0.00 0.00 64.21 63.61 1q48 n SER 19 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1q48 n LEU 20 N -1.79 2.02 -2.85 1.04 4.77 -1.26 -4.95 117.00 113.98 1q48 n LEU 20 Ca -0.00 0.32 -0.14 0.00 -0.03 0.00 0.00 56.01 56.16 1q48 n LEU 20 Cb 0.10 -0.86 -0.01 0.00 -2.33 0.00 0.00 43.42 40.32 1q48 n LEU 20 CO 0.00 0.55 -0.08 -0.67 -1.33 0.00 0.00 177.39 175.87 1q48 n ASP 21 N -4.20 -2.94 -0.30 -1.43 2.03 -1.26 -4.75 116.55 103.69 1q48 n ASP 21 Ca -0.50 0.02 0.14 0.00 0.52 0.00 0.00 54.79 54.98 1q48 n ASP 21 Cb 0.86 -2.52 0.31 0.00 -0.72 0.00 0.00 41.12 39.05 1q48 n ASP 21 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1q48 h LYS 22 N -0.34 0.21 0.00 -0.67 1.63 -1.95 -3.31 116.57 112.15 1q48 h LYS 22 Ca -0.27 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.52 1q48 h LYS 22 Cb 1.19 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.77 1q48 h LYS 22 CO 0.34 0.14 -0.05 1.17 -3.45 0.00 0.00 179.45 177.60 1q48 n LYS 23 N -5.21 0.00 -0.88 1.90 4.81 -1.26 -5.14 118.16 112.39 1q48 n LYS 23 Ca 0.23 -0.17 0.09 0.00 -0.87 0.00 0.00 58.31 57.58 1q48 n LYS 23 Cb 0.73 -0.12 -0.03 0.00 0.02 0.00 0.00 35.03 35.62 1q48 n LYS 23 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1q48 n ASP 24 N 0.00 -3.97 0.00 3.14 9.92 -1.25 -4.47 116.55 119.93 1q48 n ASP 24 Ca 0.00 0.43 0.00 0.00 -0.53 0.00 0.00 54.79 54.69 1q48 n ASP 24 Cb 0.52 -2.81 0.00 0.00 -0.64 0.00 0.00 41.12 38.18 1q48 n ASP 24 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1q48 n SER 25 N -4.22 0.00 -0.17 -2.24 2.88 -1.26 -4.25 113.62 104.36 1q48 n SER 25 Ca -0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 1q48 n SER 25 Cb 0.58 -1.94 0.00 0.00 -0.75 0.00 0.00 64.21 62.10 1q48 n SER 25 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1q48 n ASN 26 N 0.00 0.00 -3.81 -3.46 6.94 -1.26 -4.91 115.26 108.75 1q48 n ASN 26 Ca 0.00 -1.23 -0.30 0.00 -0.02 0.00 0.00 54.58 53.03 1q48 n ASN 26 Cb 0.00 -0.05 -0.15 0.00 -2.36 0.00 0.00 39.78 37.22 1q48 n ASN 26 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1q48 s VAL 27 N 0.00 1.20 -0.09 3.53 1.01 -1.26 -1.78 120.40 123.02 1q48 s VAL 27 Ca 0.00 -1.53 -0.23 0.00 0.00 0.00 0.00 61.98 60.23 1q48 s VAL 27 Cb 0.00 -1.85 -0.03 0.00 0.00 0.00 0.00 36.38 34.49 1q48 s VAL 27 CO 0.00 -0.58 0.68 -0.83 0.00 0.00 0.00 175.10 174.37 1q48 s GLY 28 N 1.46 2.50 0.12 4.51 0.00 -0.78 -4.77 107.32 110.37 1q48 s GLY 28 Ca 0.08 0.06 0.03 0.00 0.00 0.00 0.00 44.72 44.89 1q48 s GLY 28 CO -0.19 1.19 0.16 -1.59 0.00 0.00 0.00 173.10 172.67 1q48 s THR 29 N 0.99 4.79 -0.12 0.90 2.01 -1.26 -1.56 115.64 121.39 1q48 s THR 29 Ca 0.36 -0.82 -0.01 0.00 0.31 0.00 0.00 61.69 61.52 1q48 s THR 29 Cb -0.17 -3.40 0.03 0.00 0.01 0.00 0.00 72.50 68.97 1q48 s THR 29 CO 0.16 -0.01 -0.04 -0.83 -0.69 0.00 0.00 174.62 173.21 1q48 s GLY 30 N -2.85 0.75 -0.38 4.40 0.00 1.08 -3.43 107.32 106.87 1q48 s GLY 30 Ca 0.32 -0.50 0.02 0.00 0.00 0.00 0.00 44.72 44.55 1q48 s GLY 30 CO 0.25 0.98 0.16 -0.29 0.00 0.00 0.00 173.10 174.19 1q48 s MET 31 N 1.78 1.17 0.03 2.90 1.75 -1.26 -0.69 119.30 124.98 1q48 s MET 31 Ca 0.04 -1.70 0.03 0.00 -1.25 0.00 0.00 55.69 52.81 1q48 s MET 31 Cb -0.13 -2.45 -0.02 0.00 2.84 0.00 0.00 34.83 35.07 1q48 s MET 31 CO -0.07 -1.06 -0.10 0.14 -0.65 0.00 0.00 175.02 173.28 1q48 s VAL 32 N 0.85 0.81 0.31 10.11 -7.23 -0.99 -5.05 120.40 119.20 1q48 s VAL 32 Ca 0.14 -0.85 0.05 0.00 -1.81 0.00 0.00 61.98 59.51 1q48 s VAL 32 Cb -0.21 -0.76 -0.03 0.00 0.56 0.00 0.00 36.38 35.94 1q48 s VAL 32 CO -0.10 -0.07 0.28 -0.83 -0.31 0.00 0.00 175.10 174.06 1q48 s GLY 33 N -1.03 2.11 -0.52 2.32 0.00 -1.26 -0.80 107.32 108.14 1q48 s GLY 33 Ca -0.01 -1.96 0.05 0.00 0.00 0.00 0.00 44.72 42.80 1q48 s GLY 33 CO 0.01 -1.41 0.47 0.00 0.00 0.00 0.00 173.10 172.16 1q48 n ALA 34 N -0.56 3.11 0.00 3.20 0.00 0.29 -4.94 120.51 121.60 1q48 n ALA 34 Ca 0.06 -3.78 0.00 0.00 0.00 0.00 0.00 53.44 49.72 1q48 n ALA 34 Cb 0.63 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 19.22 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 2.09 0.00 0.03 0.00 -0.02 -1.26 -1.90 135.00 133.95 1q48 n PRO 35 Ca 0.26 0.27 0.07 0.00 -2.02 0.00 0.00 63.50 62.08 1q48 n PRO 35 Cb 0.44 -1.55 0.32 0.00 -0.02 0.00 0.00 33.50 32.70 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 -1.24 1.57 0.00 3.55 0.00 -1.26 -4.28 120.51 118.85 1q48 n ALA 36 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1q48 n ALA 36 Cb 0.05 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.25 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 -0.36 0.22 3.00 0.00 0.00 -0.80 -5.14 105.19 102.12 1q48 n GLY 38 Ca 0.00 -0.37 -0.13 0.00 0.00 0.00 0.00 46.02 45.52 1q48 n GLY 38 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1q48 s ASP 39 N 0.00 0.59 -0.08 1.61 2.15 -1.17 -4.76 116.67 115.00 1q48 s ASP 39 Ca 0.00 -0.34 -0.03 0.00 0.43 0.00 0.00 52.55 52.61 1q48 s ASP 39 Cb 0.00 0.01 0.04 0.00 -0.30 0.00 0.00 42.92 42.67 1q48 s ASP 39 CO 0.00 -0.12 0.06 -0.69 -0.17 0.00 0.00 175.17 174.25 1q48 s VAL 40 N -0.86 -0.02 -0.18 1.11 1.01 -1.26 -0.55 120.40 119.65 1q48 s VAL 40 Ca -0.06 0.20 0.01 0.00 0.00 0.00 0.00 61.98 62.13 1q48 s VAL 40 Cb -0.06 -0.34 0.02 0.00 0.00 0.00 0.00 36.38 35.99 1q48 s VAL 40 CO -0.00 0.06 -0.20 -0.32 0.00 0.00 0.00 175.10 174.64 1q48 s MET 41 N 2.12 2.97 -0.01 2.72 0.00 0.02 -3.94 119.30 123.19 1q48 s MET 41 Ca 0.04 -0.82 0.04 0.00 0.00 0.00 0.00 55.69 54.95 1q48 s MET 41 Cb -0.13 -2.55 -0.03 0.00 0.00 0.00 0.00 34.83 32.11 1q48 s MET 41 CO -0.05 -0.20 -0.12 -1.14 0.00 0.00 0.00 175.02 173.51 1q48 s GLN 42 N 1.27 2.42 -0.02 4.11 0.74 -0.89 -2.35 119.66 124.94 1q48 s GLN 42 Ca 0.04 -0.77 -0.16 0.00 0.05 0.00 0.00 55.36 54.52 1q48 s GLN 42 Cb -0.13 -2.38 0.03 0.00 1.10 0.00 0.00 33.01 31.62 1q48 s GLN 42 CO -0.12 0.60 0.35 -1.17 -0.55 0.00 0.00 175.29 174.39 1q48 s LEU 43 N -1.15 0.69 -0.18 3.68 0.20 0.13 -1.93 118.68 120.13 1q48 s LEU 43 Ca 0.14 0.19 -0.07 0.00 0.69 0.00 0.00 54.13 55.08 1q48 s LEU 43 Cb -0.11 1.39 0.08 0.00 -0.43 0.00 0.00 46.19 47.12 1q48 s LEU 43 CO 0.04 -0.44 0.39 0.00 -0.29 0.00 0.00 176.35 176.04 1q48 s GLN 44 N -1.22 0.31 0.10 1.98 -2.07 -0.66 0.35 119.66 118.44 1q48 s GLN 44 Ca -0.13 0.90 0.04 0.00 -1.82 0.00 0.00 55.36 54.36 1q48 s GLN 44 Cb -0.05 0.16 -0.04 0.00 -1.09 0.00 0.00 33.01 31.99 1q48 s GLN 44 CO 0.05 -0.23 0.07 0.96 -1.32 0.00 0.00 175.29 174.82 1q48 s ILE 45 N 2.18 4.40 0.10 3.63 -4.36 -0.60 -2.13 121.20 124.43 1q48 s ILE 45 Ca -0.04 -0.89 0.07 0.00 -0.26 0.00 0.00 60.65 59.53 1q48 s ILE 45 Cb -0.11 -3.15 -0.04 0.00 1.25 0.00 0.00 42.46 40.42 1q48 s ILE 45 CO -0.12 0.07 -0.09 -0.75 0.24 0.00 0.00 174.94 174.29 1q48 s LYS 46 N -2.53 2.15 0.04 0.37 2.20 -0.99 -1.87 119.74 119.10 1q48 s LYS 46 Ca 0.29 -1.02 0.07 0.00 -0.36 0.00 0.00 55.97 54.95 1q48 s LYS 46 Cb -0.12 -2.32 -0.02 0.00 -1.51 0.00 0.00 37.83 33.86 1q48 s LYS 46 CO 0.21 0.51 -0.19 0.08 -0.36 0.00 0.00 175.35 175.60 1q48 s VAL 47 N -1.22 1.53 0.00 4.02 1.01 -0.73 -3.70 120.40 121.31 1q48 s VAL 47 Ca 0.22 -1.11 0.00 0.00 0.00 0.00 0.00 61.98 61.08 1q48 s VAL 47 Cb -0.11 -1.34 0.00 0.00 0.00 0.00 0.00 36.38 34.93 1q48 s VAL 47 CO 0.14 0.19 0.00 -0.90 0.00 0.00 0.00 175.10 174.53 1q48 n ASP 48 N 1.94 0.00 0.00 3.32 5.75 -0.93 -4.88 116.55 121.75 1q48 n ASP 48 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.61 1q48 n ASP 48 Cb 0.54 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.63 1q48 n ASP 48 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1q48 n ASP 49 N 0.00 2.01 -0.45 -1.12 -0.08 -1.26 -4.73 116.55 110.92 1q48 n ASP 49 Ca 0.00 0.00 0.13 0.00 -1.51 0.00 0.00 54.79 53.41 1q48 n ASP 49 Cb 0.00 0.33 0.42 0.00 2.34 0.00 0.00 41.12 44.22 1q48 n ASP 49 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 1q48 n ASN 50 N -0.77 1.51 0.00 1.67 3.02 -1.26 -4.90 115.26 114.53 1q48 n ASN 50 Ca 0.00 -1.36 0.00 0.00 -0.03 0.00 0.00 54.58 53.19 1q48 n ASN 50 Cb 0.07 0.06 0.00 0.00 -0.61 0.00 0.00 39.78 39.30 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 1.25 1.29 3.76 7.41 0.00 -1.26 -5.09 105.19 112.55 1q48 n GLY 51 Ca 0.16 -0.36 -0.22 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.00 3.81 -0.46 -0.61 -1.09 -1.26 -4.33 121.20 115.25 1q48 s ILE 52 Ca 0.00 -1.60 -0.15 0.00 -2.23 0.00 0.00 60.65 56.67 1q48 s ILE 52 Cb 0.00 -3.14 0.07 0.00 -1.58 0.00 0.00 42.46 37.81 1q48 s ILE 52 CO 0.00 -0.31 0.38 -0.63 -1.23 0.00 0.00 174.94 173.15 1q48 s ILE 53 N -2.26 5.16 -0.02 2.92 1.01 -0.41 -2.20 121.20 125.41 1q48 s ILE 53 Ca 0.34 -1.06 -0.03 0.00 0.00 0.00 0.00 60.65 59.90 1q48 s ILE 53 Cb -0.06 -4.08 -0.28 0.00 0.01 0.00 0.00 42.46 38.05 1q48 s ILE 53 CO 0.23 -0.56 0.78 -0.33 0.00 0.00 0.00 174.94 175.07 1q48 h GLU 54 N 8.72 0.25 -4.66 2.79 4.39 -1.88 -0.78 114.58 123.41 1q48 h GLU 54 Ca -0.28 -0.43 -0.23 0.00 0.34 0.00 0.00 59.36 58.76 1q48 h GLU 54 Cb 1.11 0.16 -0.15 0.00 -0.10 0.00 0.00 28.75 29.77 1q48 h GLU 54 CO 0.86 1.11 -0.69 -0.51 -1.16 0.00 0.00 179.01 178.62 1q48 s ASP 55 N -6.97 1.14 -0.24 1.42 1.11 -1.26 -4.65 116.67 107.22 1q48 s ASP 55 Ca -0.11 -1.02 -0.04 0.00 0.18 0.00 0.00 52.55 51.57 1q48 s ASP 55 Cb 0.07 0.10 0.13 0.00 1.07 0.00 0.00 42.92 44.28 1q48 s ASP 55 CO 0.84 -0.47 0.41 0.00 1.18 0.00 0.00 175.17 177.13 1q48 s ALA 56 N -3.63 -1.21 0.03 5.23 0.00 -1.26 -2.34 121.76 118.58 1q48 s ALA 56 Ca 0.13 1.16 0.02 0.00 0.00 0.00 0.00 51.96 53.28 1q48 s ALA 56 Cb 0.05 -1.62 -0.04 0.00 0.00 0.00 0.00 23.12 21.52 1q48 s ALA 56 CO -0.04 -1.12 0.01 0.21 0.00 0.00 0.00 175.76 174.82 1q48 s LYS 57 N 2.59 2.74 0.19 0.00 2.20 -0.91 -5.02 119.74 121.53 1q48 s LYS 57 Ca 0.09 -0.67 0.04 0.00 -0.36 0.00 0.00 55.97 55.07 1q48 s LYS 57 Cb -0.14 -2.65 -0.02 0.00 -1.51 0.00 0.00 37.83 33.51 1q48 s LYS 57 CO -0.15 0.60 0.16 1.97 -0.36 0.00 0.00 175.35 177.57 1q48 n PHE 58 N 1.08 -0.47 -3.15 4.03 -1.74 -1.26 -1.66 117.46 114.29 1q48 n PHE 58 Ca -0.13 -1.56 0.05 0.00 -0.56 0.00 0.00 57.45 55.26 1q48 n PHE 58 Cb 0.52 0.17 -0.01 0.00 1.52 0.00 0.00 39.48 41.68 1q48 n PHE 58 CO 0.00 0.00 0.00 0.21 -0.56 0.00 0.00 176.76 176.41 1q48 s LYS 59 N -2.74 0.26 -0.29 3.97 2.20 -0.81 -4.96 119.74 117.37 1q48 s LYS 59 Ca 0.22 0.42 0.03 0.00 -0.36 0.00 0.00 55.97 56.28 1q48 s LYS 59 Cb 0.01 0.23 0.08 0.00 -1.51 0.00 0.00 37.83 36.64 1q48 s LYS 59 CO 0.16 -0.33 -0.03 -0.08 -0.36 0.00 0.00 175.35 174.70 1q48 s THR 60 N 2.93 2.06 -0.08 3.43 -1.32 -1.26 -2.09 115.64 119.31 1q48 s THR 60 Ca 0.07 -1.83 -0.00 0.00 -1.21 0.00 0.00 61.69 58.72 1q48 s THR 60 Cb -0.10 -2.33 0.02 0.00 -1.51 0.00 0.00 72.50 68.59 1q48 s THR 60 CO -0.15 -0.28 -0.04 -0.47 -2.21 0.00 0.00 174.62 171.47 1q48 s TYR 61 N 1.09 0.97 0.00 9.09 6.14 -1.25 -4.85 117.35 128.54 1q48 s TYR 61 Ca -0.00 -0.37 0.00 0.00 0.64 0.00 0.00 57.07 57.34 1q48 s TYR 61 Cb -0.19 -0.92 0.00 0.00 0.42 0.00 0.00 41.96 41.27 1q48 s TYR 61 CO -0.07 -0.35 0.00 0.41 0.64 0.00 0.00 175.55 176.17 1q48 n GLY 62 N 4.78 2.51 3.47 8.97 0.00 -1.26 -4.55 105.19 119.12 1q48 n GLY 62 Ca -0.13 -0.27 -0.33 0.00 0.00 0.00 0.00 46.02 45.29 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 2.42 5.69 0.48 0.00 0.00 -1.26 -4.41 105.19 108.11 1q48 n GLY 64 Ca -0.17 -2.34 0.00 0.00 0.00 0.00 0.00 46.02 43.51 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 0.83 -0.91 0.00 1.61 3.41 -1.26 -4.90 113.62 112.40 1q48 n SER 65 Ca 0.53 0.57 0.00 0.00 -0.26 0.00 0.00 58.87 59.71 1q48 n SER 65 Cb 0.26 1.22 0.00 0.00 -0.26 0.00 0.00 64.21 65.42 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 -3.05 1.00 0.32 7.33 0.00 -1.26 -1.53 120.51 123.31 1q48 n ALA 66 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 1q48 n ALA 66 Cb 0.00 -0.70 0.19 0.00 0.00 0.00 0.00 19.45 18.94 1q48 n ALA 66 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1q48 n ILE 67 N -0.92 1.27 -0.07 0.00 5.41 -1.26 -2.52 119.36 121.26 1q48 n ILE 67 Ca 0.00 0.32 -0.16 0.00 1.00 0.00 0.00 62.75 63.91 1q48 n ILE 67 Cb 0.02 -1.17 -0.13 0.00 -0.71 0.00 0.00 39.64 37.65 1q48 n ILE 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1q48 h ALA 68 N 2.32 0.06 -0.09 -1.39 0.00 -1.69 -3.27 119.26 115.20 1q48 h ALA 68 Ca 0.00 -0.67 0.04 0.00 0.00 0.00 0.00 54.91 54.28 1q48 h ALA 68 Cb 0.13 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 1q48 h ALA 68 CO 0.00 0.18 -0.20 0.66 0.00 0.00 0.00 179.25 179.89 1q48 h SER 69 N -0.97 -0.61 -0.72 0.00 4.64 -1.74 -2.09 113.55 112.06 1q48 h SER 69 Ca -0.09 0.10 0.10 0.00 -0.47 0.00 0.00 61.79 61.43 1q48 h SER 69 Cb 1.10 0.27 -0.12 0.00 -0.31 0.00 0.00 62.40 63.34 1q48 h SER 69 CO -0.04 -0.25 -0.45 0.77 -0.87 0.00 0.00 176.83 175.99 1q48 h SER 70 N -0.27 -1.57 -0.69 4.97 4.64 -1.69 1.56 113.55 120.49 1q48 h SER 70 Ca 0.09 0.27 0.19 0.00 -0.47 0.00 0.00 61.79 61.87 1q48 h SER 70 Cb 0.40 0.73 -0.03 0.00 -0.31 0.00 0.00 62.40 63.19 1q48 h SER 70 CO -0.25 -0.31 0.49 -1.28 -0.87 0.00 0.00 176.83 174.61 1q48 h SER 71 N -0.15 0.04 0.12 4.97 0.87 -1.44 0.18 113.55 118.14 1q48 h SER 71 Ca 0.21 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.77 1q48 h SER 71 Cb 0.55 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.51 1q48 h SER 71 CO -0.78 0.02 -0.06 0.25 -0.53 0.00 0.00 176.83 175.73 1q48 h LEU 72 N 0.04 -0.14 -0.99 2.23 5.85 0.28 -2.19 115.31 120.39 1q48 h LEU 72 Ca 0.33 0.00 0.24 0.00 0.84 0.00 0.00 57.88 59.29 1q48 h LEU 72 Cb 1.27 0.04 -0.12 0.00 0.37 0.00 0.00 40.66 42.21 1q48 h LEU 72 CO -0.02 -0.03 0.57 -0.29 -0.34 0.00 0.00 178.44 178.33 1q48 h ILE 73 N -0.30 0.55 -0.33 4.05 2.10 -0.91 0.17 117.51 122.84 1q48 h ILE 73 Ca -0.02 -0.20 0.02 0.00 1.08 0.00 0.00 64.86 65.75 1q48 h ILE 73 Cb 0.13 -0.08 -0.03 0.00 -1.09 0.00 0.00 36.82 35.75 1q48 h ILE 73 CO 0.03 0.11 0.17 0.71 -1.08 0.00 0.00 178.15 178.09 1q48 h THR 74 N 0.58 1.00 0.00 2.19 1.35 -1.01 0.10 112.91 117.12 1q48 h THR 74 Ca 0.63 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 66.36 1q48 h THR 74 Cb 1.17 0.61 0.00 0.00 -1.73 0.00 0.00 68.15 68.20 1q48 h THR 74 CO -0.47 0.07 0.00 1.21 -0.25 0.00 0.00 175.52 176.07 1q48 n GLU 75 N -4.93 0.01 -0.01 4.72 2.13 0.47 -2.46 120.64 120.57 1q48 n GLU 75 Ca -0.00 0.24 -0.10 0.00 0.66 0.00 0.00 57.16 57.95 1q48 n GLU 75 Cb 0.07 -1.51 -0.14 0.00 0.27 0.00 0.00 31.44 30.13 1q48 n GLU 75 CO 0.00 0.00 0.00 2.35 -0.41 0.00 0.00 177.13 179.07 1q48 h TRP 76 N 0.00 0.07 -2.51 4.31 2.91 0.54 -3.38 115.95 117.89 1q48 h TRP 76 Ca 0.00 -0.05 -0.78 0.00 1.13 0.00 0.00 58.89 59.19 1q48 h TRP 76 Cb 0.27 -0.00 -0.29 0.00 -0.51 0.00 0.00 29.16 28.63 1q48 h TRP 76 CO 0.00 1.11 0.74 1.33 -1.03 0.00 0.00 178.44 180.59 1q48 n VAL 77 N -3.11 5.42 -3.69 2.65 0.24 -0.37 -4.76 118.33 114.70 1q48 n VAL 77 Ca -0.18 -5.91 -0.30 0.00 -2.04 0.00 0.00 64.34 55.92 1q48 n VAL 77 Cb 1.05 -1.78 -0.15 0.00 -1.47 0.00 0.00 33.84 31.49 1q48 n VAL 77 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1q48 s LYS 78 N -3.58 0.59 0.00 7.34 2.20 -1.26 -4.67 119.74 120.36 1q48 s LYS 78 Ca 0.37 -0.92 0.00 0.00 -0.36 0.00 0.00 55.97 55.06 1q48 s LYS 78 Cb 0.14 -1.80 0.00 0.00 -1.51 0.00 0.00 37.83 34.66 1q48 s LYS 78 CO -0.03 -0.98 0.00 0.41 -0.36 0.00 0.00 175.35 174.39 1q48 n GLY 79 N 4.95 1.22 0.48 5.54 0.00 -0.30 -5.04 105.19 112.04 1q48 n GLY 79 Ca -0.03 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.00 -0.08 -4.24 1.61 4.76 -1.26 -4.49 118.16 112.45 1q48 n LYS 80 Ca 0.00 -0.27 -0.26 0.00 -2.87 0.00 0.00 58.31 54.91 1q48 n LYS 80 Cb 0.00 -0.16 -0.06 0.00 -1.84 0.00 0.00 35.03 32.97 1q48 n LYS 80 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1q48 n SER 81 N -3.09 2.62 0.01 4.39 7.64 -1.26 -1.28 113.62 122.64 1q48 n SER 81 Ca 0.02 -2.91 0.06 0.00 1.01 0.00 0.00 58.87 57.05 1q48 n SER 81 Cb 0.07 0.48 0.24 0.00 -1.01 0.00 0.00 64.21 64.00 1q48 n SER 81 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1q48 n LEU 82 N 0.00 0.04 0.04 -3.43 4.77 -1.26 -2.09 117.00 115.07 1q48 n LEU 82 Ca -0.14 0.51 -0.07 0.00 -0.03 0.00 0.00 56.01 56.28 1q48 n LEU 82 Cb 0.55 -0.51 0.10 0.00 -2.33 0.00 0.00 43.42 41.23 1q48 n LEU 82 CO 0.29 -0.34 0.51 -0.08 -1.33 0.00 0.00 177.39 176.44 1q48 h GLU 83 N 0.00 0.40 0.08 3.23 4.22 -1.94 0.14 114.58 120.72 1q48 h GLU 83 Ca 0.00 -0.25 -0.35 0.00 0.08 0.00 0.00 59.36 58.84 1q48 h GLU 83 Cb 0.19 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 1q48 h GLU 83 CO 0.00 0.84 -1.96 -1.91 -2.18 0.00 0.00 179.01 173.80 1q48 n GLU 84 N -3.94 0.72 0.14 1.92 0.00 -0.89 -4.07 120.64 114.53 1q48 n GLU 84 Ca -0.03 0.26 -0.00 0.00 0.00 0.00 0.00 57.16 57.39 1q48 n GLU 84 Cb 0.59 -1.72 0.19 0.00 0.00 0.00 0.00 31.44 30.50 1q48 n GLU 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1q48 h ALA 85 N 0.34 0.98 -0.88 4.31 0.00 -1.51 -2.82 119.26 119.68 1q48 h ALA 85 Ca -0.40 -0.53 -0.69 0.00 0.00 0.00 0.00 54.91 53.29 1q48 h ALA 85 Cb 2.03 -0.09 -0.25 0.00 0.00 0.00 0.00 17.79 19.48 1q48 h ALA 85 CO 0.08 0.73 0.88 0.41 0.00 0.00 0.00 179.25 181.35 1q48 n GLY 86 N 0.24 5.27 0.50 0.00 0.00 0.48 -4.28 105.19 107.41 1q48 n GLY 86 Ca -0.01 -2.28 0.00 0.00 0.00 0.00 0.00 46.02 43.73 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 -0.26 0.00 -1.22 4.61 0.00 -1.19 -4.90 120.51 117.55 1q48 n ALA 87 Ca 0.53 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.59 1q48 n ALA 87 Cb 0.37 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.84 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 -1.72 0.20 -4.47 0.00 -5.35 -1.07 -4.98 119.36 101.97 1q48 n ILE 88 Ca 0.00 -0.50 -0.23 0.00 -0.27 0.00 0.00 62.75 61.76 1q48 n ILE 88 Cb 0.00 -0.07 -0.09 0.00 -1.74 0.00 0.00 39.64 37.74 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 -1.31 1.75 0.00 6.28 1.02 -1.26 -4.98 119.74 121.24 1q48 s LYS 89 Ca 0.55 -2.01 0.27 0.00 0.02 0.00 0.00 55.97 54.80 1q48 s LYS 89 Cb -0.43 -0.70 0.87 0.00 -0.52 0.00 0.00 37.83 37.05 1q48 s LYS 89 CO 0.68 -0.32 1.65 0.27 -0.92 0.00 0.00 175.35 176.71 1q48 n ASN 90 N -0.92 0.48 -0.03 2.83 6.94 -1.26 -3.89 115.26 119.41 1q48 n ASN 90 Ca -0.04 -0.29 -0.15 0.00 -0.02 0.00 0.00 54.58 54.09 1q48 n ASN 90 Cb 0.66 0.00 -0.10 0.00 -2.36 0.00 0.00 39.78 37.98 1q48 n ASN 90 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1q48 h SER 91 N 0.34 0.25 0.89 0.53 0.02 -1.95 -1.25 113.55 112.37 1q48 h SER 91 Ca 0.00 -0.68 -0.04 0.00 -0.84 0.00 0.00 61.79 60.23 1q48 h SER 91 Cb 0.47 -0.07 0.01 0.00 0.14 0.00 0.00 62.40 62.94 1q48 h SER 91 CO 0.00 0.89 -0.43 -0.61 -1.14 0.00 0.00 176.83 175.54 1q48 h GLN 92 N -0.37 -1.15 -0.95 3.45 5.75 -2.00 -1.09 115.11 118.75 1q48 h GLN 92 Ca -0.02 0.08 0.16 0.00 -0.15 0.00 0.00 58.65 58.72 1q48 h GLN 92 Cb 0.89 0.26 -0.08 0.00 1.07 0.00 0.00 27.48 29.62 1q48 h GLN 92 CO 0.04 -0.76 0.60 0.82 -2.65 0.00 0.00 178.83 176.88 1q48 h ILE 93 N -1.31 0.81 -0.32 2.39 2.04 -1.69 0.31 117.51 119.73 1q48 h ILE 93 Ca -0.12 -0.26 -0.03 0.00 1.00 0.00 0.00 64.86 65.45 1q48 h ILE 93 Cb 0.91 -0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 1q48 h ILE 93 CO 0.20 0.14 0.06 0.00 0.00 0.00 0.00 178.15 178.55 1q48 h ALA 94 N 1.60 1.51 0.00 1.87 0.00 -0.94 -1.73 119.26 121.56 1q48 h ALA 94 Ca 0.49 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 55.20 1q48 h ALA 94 Cb 0.76 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1q48 h ALA 94 CO -0.26 0.37 -0.65 0.93 0.00 0.00 0.00 179.25 179.63 1q48 h GLU 95 N 0.47 0.00 0.00 0.00 4.39 0.78 0.19 114.58 120.40 1q48 h GLU 95 Ca 0.11 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.73 1q48 h GLU 95 Cb 0.21 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 1q48 h GLU 95 CO -0.00 0.18 -0.36 1.49 -1.16 0.00 0.00 179.01 179.15 1q48 h GLU 96 N 0.00 0.00 0.00 2.33 4.57 0.13 -3.26 114.58 118.35 1q48 h GLU 96 Ca -0.03 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 1q48 h GLU 96 Cb 1.20 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.79 1q48 h GLU 96 CO 0.02 0.36 -1.37 1.28 -1.18 0.00 0.00 179.01 178.13 1q48 n LEU 97 N -3.36 0.03 -3.79 1.64 4.77 -0.78 -5.03 117.00 110.48 1q48 n LEU 97 Ca 0.01 -0.04 -0.33 0.00 -0.03 0.00 0.00 56.01 55.62 1q48 n LEU 97 Cb 0.57 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.68 1q48 n LEU 97 CO 0.37 0.01 -0.11 -0.62 -1.33 0.00 0.00 177.39 175.71 1q48 n GLU 98 N -1.79 -0.95 -3.76 3.23 1.02 0.66 -4.94 120.64 114.10 1q48 n GLU 98 Ca -0.01 0.46 -0.28 0.00 -0.02 0.00 0.00 57.16 57.30 1q48 n GLU 98 Cb 0.24 -3.31 -0.03 0.00 -0.02 0.00 0.00 31.44 28.32 1q48 n GLU 98 CO 0.00 0.00 0.00 -0.48 1.18 0.00 0.00 177.13 177.83 1q48 s LEU 99 N -6.32 4.27 0.63 -4.62 2.34 -1.25 -5.05 118.68 108.67 1q48 s LEU 99 Ca 0.35 0.38 -0.17 0.00 0.06 0.00 0.00 54.13 54.74 1q48 s LEU 99 Cb -0.16 -3.12 -0.12 0.00 -0.56 0.00 0.00 46.19 42.23 1q48 s LEU 99 CO 0.90 0.02 0.04 -2.65 -1.06 0.00 0.00 176.35 173.60 1q48 n PRO 100 N -0.39 0.16 0.03 1.48 -0.02 -1.26 -4.83 135.00 130.16 1q48 n PRO 100 Ca -0.05 0.07 0.11 0.00 -2.02 0.00 0.00 63.50 61.61 1q48 n PRO 100 Cb 0.53 -1.30 0.45 0.00 -0.02 0.00 0.00 33.50 33.16 1q48 n PRO 100 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1q48 n PRO 101 N 0.89 0.05 -0.26 0.52 -0.04 -1.26 -2.83 135.00 132.06 1q48 n PRO 101 Ca 0.08 0.18 0.07 0.00 -0.04 0.00 0.00 63.50 63.78 1q48 n PRO 101 Cb 0.49 -1.58 0.20 0.00 -0.04 0.00 0.00 33.50 32.58 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 -1.67 0.72 -0.99 0.52 0.24 -1.26 -3.85 118.33 112.04 1q48 n VAL 102 Ca 0.05 -0.63 0.00 0.00 -2.04 0.00 0.00 64.34 61.72 1q48 n VAL 102 Cb 0.27 0.23 0.00 0.00 -1.47 0.00 0.00 33.84 32.86 1q48 n VAL 102 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1q48 n LYS 103 N 0.77 0.01 0.24 7.34 5.02 -1.13 -4.82 118.16 125.60 1q48 n LYS 103 Ca 0.15 -0.33 0.06 0.00 -2.02 0.00 0.00 58.31 56.17 1q48 n LYS 103 Cb 0.43 -0.50 0.32 0.00 -0.02 0.00 0.00 35.03 35.25 1q48 n LYS 103 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1q48 h VAL 104 N 2.29 0.00 0.00 -0.18 2.07 -1.66 0.38 116.25 119.16 1q48 h VAL 104 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1q48 h VAL 104 Cb 0.82 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1q48 h VAL 104 CO 0.00 0.00 0.32 0.00 0.02 0.00 0.00 177.57 177.91 1q48 n HIS 105 N -2.29 0.41 0.00 1.57 1.44 -1.26 -2.17 115.22 112.92 1q48 n HIS 105 Ca -0.01 0.21 0.00 0.00 -2.01 0.00 0.00 57.72 55.92 1q48 n HIS 105 Cb 0.58 -0.63 0.00 0.00 0.12 0.00 0.00 29.99 30.06 1q48 n HIS 105 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1q48 h SER 107 N 0.00 0.19 0.06 0.00 4.64 -1.71 -0.21 113.55 116.52 1q48 h SER 107 Ca 0.00 0.15 0.01 0.00 -0.47 0.00 0.00 61.79 61.48 1q48 h SER 107 Cb 0.00 0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.23 1q48 h SER 107 CO 0.00 -0.01 -0.11 0.40 -0.87 0.00 0.00 176.83 176.24 1q48 h ILE 108 N 0.35 0.73 -0.59 0.95 2.04 -1.57 -0.37 117.51 119.06 1q48 h ILE 108 Ca 0.49 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.52 1q48 h ILE 108 Cb 0.89 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.68 1q48 h ILE 108 CO -0.52 0.00 0.50 -0.07 0.00 0.00 0.00 178.15 178.07 1q48 h LEU 109 N -0.22 0.00 -0.00 1.44 4.07 -0.42 0.17 115.31 120.34 1q48 h LEU 109 Ca 0.02 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.98 1q48 h LEU 109 Cb 0.24 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.98 1q48 h LEU 109 CO -0.07 0.00 -0.01 0.00 -1.08 0.00 0.00 178.44 177.28 1q48 h ALA 110 N 1.55 0.01 -0.37 1.53 0.00 -0.46 -0.61 119.26 120.91 1q48 h ALA 110 Ca 0.28 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1q48 h ALA 110 Cb 1.29 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 1q48 h ALA 110 CO -0.00 -0.15 0.09 1.49 0.00 0.00 0.00 179.25 180.68 1q48 h GLU 111 N -0.65 0.59 -0.41 0.00 4.81 -0.39 -2.55 114.58 115.98 1q48 h GLU 111 Ca -0.00 -0.14 -0.05 0.00 -0.13 0.00 0.00 59.36 59.04 1q48 h GLU 111 Cb 0.68 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.96 1q48 h GLU 111 CO 0.00 0.62 0.06 -0.44 -0.73 0.00 0.00 179.01 178.53 1q48 h ASP 112 N 0.45 0.58 0.14 1.04 5.19 -0.82 -2.52 116.42 120.47 1q48 h ASP 112 Ca 0.12 -0.10 0.00 0.00 -0.62 0.00 0.00 57.03 56.43 1q48 h ASP 112 Cb 0.30 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 39.64 1q48 h ASP 112 CO 0.00 0.61 -0.13 0.00 -3.12 0.00 0.00 179.24 176.60 1q48 h ALA 113 N 1.47 -0.27 -0.88 3.45 0.00 -0.70 -1.23 119.26 121.10 1q48 h ALA 113 Ca 0.13 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.04 1q48 h ALA 113 Cb 0.29 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 1q48 h ALA 113 CO 0.00 -0.67 0.57 0.97 0.00 0.00 0.00 179.25 180.12 1q48 h ILE 114 N -0.30 1.13 0.00 0.00 6.09 -1.27 0.21 117.51 123.38 1q48 h ILE 114 Ca 0.00 -0.38 -0.01 0.00 -1.37 0.00 0.00 64.86 63.11 1q48 h ILE 114 Cb 0.28 -0.06 -0.00 0.00 0.47 0.00 0.00 36.82 37.51 1q48 h ILE 114 CO -0.03 0.20 -0.05 0.50 -3.07 0.00 0.00 178.15 175.69 1q48 h LYS 115 N 1.10 0.00 0.02 2.19 3.64 -1.00 -2.38 116.57 120.14 1q48 h LYS 115 Ca 0.35 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.66 1q48 h LYS 115 Cb 0.02 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 31.85 1q48 h LYS 115 CO -0.12 0.05 -0.30 0.00 -2.27 0.00 0.00 179.45 176.81 1q48 h ALA 116 N 1.95 0.01 -0.80 5.00 0.00 0.19 -2.37 119.26 123.22 1q48 h ALA 116 Ca -0.00 -0.51 0.20 0.00 0.00 0.00 0.00 54.91 54.60 1q48 h ALA 116 Cb 0.11 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 1q48 h ALA 116 CO 0.01 0.12 0.55 0.00 0.00 0.00 0.00 179.25 179.93 1q48 h ALA 117 N 0.18 2.44 0.11 0.00 0.00 -0.81 0.49 119.26 121.67 1q48 h ALA 117 Ca -0.04 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.60 1q48 h ALA 117 Cb 1.12 0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.94 1q48 h ALA 117 CO 0.06 -0.68 -1.10 0.82 0.00 0.00 0.00 179.25 178.35 1q48 h ILE 118 N 0.21 1.34 -0.54 0.00 2.04 -1.44 -1.67 117.51 117.45 1q48 h ILE 118 Ca 0.40 -2.42 0.04 0.00 1.00 0.00 0.00 64.86 63.88 1q48 h ILE 118 Cb 1.25 2.77 -0.04 0.00 -0.74 0.00 0.00 36.82 40.05 1q48 h ILE 118 CO -0.08 0.72 0.28 0.00 0.00 0.00 0.00 178.15 179.07 1q48 h ALA 119 N 0.25 0.69 0.13 1.87 0.00 -0.40 0.11 119.26 121.91 1q48 h ALA 119 Ca -0.17 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1q48 h ALA 119 Cb 1.80 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.50 1q48 h ALA 119 CO 0.21 -0.06 -0.06 -0.44 0.00 0.00 0.00 179.25 178.90 1q48 h ASP 120 N 0.54 -0.15 -0.90 0.00 5.19 -1.28 -1.17 116.42 118.65 1q48 h ASP 120 Ca 0.23 -0.37 0.20 0.00 -0.62 0.00 0.00 57.03 56.48 1q48 h ASP 120 Cb 0.13 0.04 -0.12 0.00 0.18 0.00 0.00 39.33 39.56 1q48 h ASP 120 CO -0.15 0.33 0.44 0.22 -3.12 0.00 0.00 179.24 176.96 1q48 h TYR 121 N -0.68 0.76 0.00 4.55 3.20 -1.08 0.90 116.97 124.61 1q48 h TYR 121 Ca -0.02 0.04 -0.11 0.00 3.14 0.00 0.00 58.73 61.78 1q48 h TYR 121 Cb 0.51 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.57 1q48 h TYR 121 CO 0.08 0.05 -0.51 -0.22 -1.64 0.00 0.00 178.16 175.91 1q48 h LYS 122 N 0.50 0.00 -0.24 1.82 1.63 -0.73 -2.57 116.57 116.99 1q48 h LYS 122 Ca 0.55 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.35 1q48 h LYS 122 Cb 0.97 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.60 1q48 h LYS 122 CO -0.47 0.51 0.00 0.00 -3.45 0.00 0.00 179.45 176.04 1q48 n ALA 123 N -2.38 2.49 -0.03 5.00 0.00 0.23 -4.26 120.51 121.56 1q48 n ALA 123 Ca -0.01 -0.67 -0.03 0.00 0.00 0.00 0.00 53.44 52.73 1q48 n ALA 123 Cb 0.56 -1.01 -0.02 0.00 0.00 0.00 0.00 19.45 18.97 1q48 n ALA 123 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1q48 h LYS 124 N 2.95 -0.05 -2.14 0.00 1.63 0.87 -3.17 116.57 116.66 1q48 h LYS 124 Ca 0.00 0.00 -0.78 0.00 -0.85 0.00 0.00 60.65 59.03 1q48 h LYS 124 Cb 0.65 0.01 -0.26 0.00 -0.60 0.00 0.00 32.23 32.03 1q48 h LYS 124 CO 0.00 0.11 1.08 0.00 -3.45 0.00 0.00 179.45 177.19 1q48 n GLN 125 N -4.79 4.04 0.01 1.90 10.64 -1.25 -4.40 117.38 123.52 1q48 n GLN 125 Ca -0.02 -3.99 0.00 0.00 -1.83 0.00 0.00 57.00 51.16 1q48 n GLN 125 Cb 0.09 -2.37 0.00 0.00 -0.86 0.00 0.00 30.24 27.10 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 -0.17 -0.73 0.28 2.61 0.00 -1.26 -4.94 105.19 100.97 1q48 n GLY 126 Ca 0.51 0.09 0.03 0.00 0.00 0.00 0.00 46.02 46.65 1q48 n GLY 126 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1q48 n LEU 127 N -2.49 -0.34 0.00 0.99 4.32 -1.20 -4.76 117.00 113.52 1q48 n LEU 127 Ca 0.00 1.32 0.00 0.00 -0.02 0.00 0.00 56.01 57.31 1q48 n LEU 127 Cb 0.00 -0.37 0.00 0.00 -1.62 0.00 0.00 43.42 41.43 1q48 n LEU 127 CO 0.00 -1.24 0.00 -1.84 -1.22 0.00 0.00 177.39 173.09 1q48 n GLU 128 N -5.21 0.00 0.00 3.23 0.28 -1.26 -5.14 120.64 112.54 1q48 n GLU 128 Ca 0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.11 1q48 n GLU 128 Cb 0.36 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.23 1q48 n GLU 128 CO 0.00 0.00 0.00 1.58 -0.16 0.00 0.00 177.13 178.55 1q48 n HIS 129 N 0.00 0.00 0.15 -1.84 -0.00 -1.26 -4.95 115.22 107.32 1q48 n HIS 129 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1q48 n HIS 129 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 1q48 n HIS 129 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1q48 n HIS 130 N -0.61 -3.55 -3.07 1.57 -0.00 -1.26 -5.10 115.22 103.19 1q48 n HIS 130 Ca 0.00 0.95 -0.39 0.00 0.46 0.00 0.00 57.72 58.74 1q48 n HIS 130 Cb 0.00 2.44 -0.05 0.00 -0.12 0.00 0.00 29.99 32.25 1q48 n HIS 130 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 1q48 s HIS 131 N -1.67 3.69 0.25 1.57 -3.43 -1.26 -4.90 115.29 109.54 1q48 s HIS 131 Ca 0.00 1.34 0.00 0.00 -0.80 0.00 0.00 55.06 55.60 1q48 s HIS 131 Cb 0.00 -2.74 0.00 0.00 -1.43 0.00 0.00 32.58 28.41 1q48 s HIS 131 CO 0.00 0.28 0.00 1.58 -2.00 0.00 0.00 174.74 174.60 1q48 n HIS 132 N 2.91 -2.21 -4.33 0.38 -0.00 -1.26 -5.10 115.22 105.60 1q48 n HIS 132 Ca -0.04 0.41 -0.31 0.00 -0.00 0.00 0.00 57.72 57.77 1q48 n HIS 132 Cb 0.51 0.66 -0.10 0.00 -0.00 0.00 0.00 29.99 31.06 1q48 n HIS 132 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 1q48 s HIS 133 N -2.00 2.92 0.00 1.57 3.76 -1.26 -5.24 115.29 115.04 1q48 s HIS 133 Ca 0.00 -0.03 0.00 0.00 -0.15 0.00 0.00 55.06 54.88 1q48 s HIS 133 Cb 0.00 -1.58 0.00 0.00 1.11 0.00 0.00 32.58 32.11 1q48 s HIS 133 CO 0.00 0.42 0.00 1.58 -0.85 0.00 0.00 174.74 175.89