#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q56 h SER 2 N 0.00 -0.03 -3.55 1.61 0.02 -2.13 -3.45 113.55 106.02 1q56 h SER 2 Ca 0.00 -0.42 -0.43 0.00 -0.84 0.00 0.00 61.79 60.10 1q56 h SER 2 Cb 0.00 0.01 0.18 0.00 0.14 0.00 0.00 62.40 62.73 1q56 h SER 2 CO 0.00 0.41 0.11 -1.61 -1.14 0.00 0.00 176.83 174.60 1q56 s GLU 3 N -4.41 -0.72 -0.45 3.45 8.01 -1.26 -5.00 118.70 118.33 1q56 s GLU 3 Ca -0.15 0.34 -0.01 0.00 0.01 0.00 0.00 54.97 55.15 1q56 s GLU 3 Cb 0.02 -1.62 0.12 0.00 -4.31 0.00 0.00 34.13 28.34 1q56 s GLU 3 CO 0.66 -3.46 0.22 0.21 0.01 0.00 0.00 175.26 172.90 1q56 s LYS 4 N -5.02 2.00 -0.03 1.61 2.20 -1.26 -5.07 119.74 114.17 1q56 s LYS 4 Ca 0.68 -2.04 0.02 0.00 -0.36 0.00 0.00 55.97 54.26 1q56 s LYS 4 Cb -0.17 -3.51 0.01 0.00 -1.51 0.00 0.00 37.83 32.65 1q56 s LYS 4 CO 0.58 -1.07 -0.07 0.54 -0.36 0.00 0.00 175.35 174.98 1q56 s VAL 5 N 0.73 0.65 -0.26 4.02 0.11 -1.26 -5.12 120.40 119.27 1q56 s VAL 5 Ca 0.11 -0.25 0.01 0.00 -2.93 0.00 0.00 61.98 58.92 1q56 s VAL 5 Cb -0.22 -0.61 0.05 0.00 -1.53 0.00 0.00 36.38 34.07 1q56 s VAL 5 CO -0.04 0.23 -0.09 -0.63 -3.33 0.00 0.00 175.10 171.23 1q56 s ILE 6 N 0.47 2.47 -1.06 7.04 1.01 -1.26 -5.04 121.20 124.82 1q56 s ILE 6 Ca -0.07 -1.39 -0.10 0.00 0.00 0.00 0.00 60.65 59.10 1q56 s ILE 6 Cb -0.11 -2.36 0.27 0.00 0.01 0.00 0.00 42.46 40.27 1q56 s ILE 6 CO 0.00 0.06 1.05 0.27 0.00 0.00 0.00 174.94 176.32 1q56 s ILE 7 N 1.20 5.92 -0.08 2.92 -4.36 -1.26 -4.99 121.20 120.55 1q56 s ILE 7 Ca -0.05 -3.27 0.00 0.00 -0.26 0.00 0.00 60.65 57.07 1q56 s ILE 7 Cb -0.19 -4.57 0.02 0.00 1.25 0.00 0.00 42.46 38.98 1q56 s ILE 7 CO -0.05 -1.16 -0.06 -1.61 0.24 0.00 0.00 174.94 172.31 1q56 s GLU 8 N -1.02 1.16 -0.03 0.37 0.41 -1.26 -5.09 118.70 113.23 1q56 s GLU 8 Ca 0.28 -0.15 -0.36 0.00 -0.41 0.00 0.00 54.97 54.33 1q56 s GLU 8 Cb -0.10 -1.22 -0.14 0.00 -1.78 0.00 0.00 34.13 30.88 1q56 s GLU 8 CO -0.08 -0.18 1.64 1.17 -0.49 0.00 0.00 175.26 177.32 1q56 n LYS 9 N 4.59 1.68 -1.27 1.61 3.00 -1.26 -4.87 118.16 121.65 1q56 n LYS 9 Ca -0.16 0.61 -0.35 0.00 -0.00 0.00 0.00 58.31 58.41 1q56 n LYS 9 Cb 0.50 -2.35 0.09 0.00 0.00 0.00 0.00 35.03 33.27 1q56 n LYS 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1q56 n ALA 10 N 4.53 -0.79 -0.91 3.14 0.00 -1.26 -4.85 120.51 120.37 1q56 n ALA 10 Ca 0.21 -0.24 -0.19 0.00 0.00 0.00 0.00 53.44 53.22 1q56 n ALA 10 Cb 0.23 -2.02 0.05 0.00 0.00 0.00 0.00 19.45 17.71 1q56 n ALA 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1q56 n ALA 11 N -2.59 5.24 -2.55 0.00 0.00 -1.26 -4.91 120.51 114.44 1q56 n ALA 11 Ca 0.12 -1.95 -0.23 0.00 0.00 0.00 0.00 53.44 51.37 1q56 n ALA 11 Cb 0.50 -1.43 -0.07 0.00 0.00 0.00 0.00 19.45 18.45 1q56 n ALA 11 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1q56 s GLY 12 N -0.19 1.91 0.39 0.00 0.00 -1.26 -5.03 107.32 103.14 1q56 s GLY 12 Ca 0.37 -1.82 0.00 0.00 0.00 0.00 0.00 44.72 43.26 1q56 s GLY 12 CO 0.00 -1.78 0.00 1.22 0.00 0.00 0.00 173.10 172.54 1q56 n ASP 13 N -1.05 -3.35 -4.28 1.64 9.92 -1.26 -5.03 116.55 113.14 1q56 n ASP 13 Ca -0.04 0.74 -0.32 0.00 -0.53 0.00 0.00 54.79 54.64 1q56 n ASP 13 Cb 0.61 3.20 -0.08 0.00 -0.64 0.00 0.00 41.12 44.21 1q56 n ASP 13 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1q56 n ALA 14 N -3.30 -1.85 -3.47 2.24 0.00 -1.26 -4.91 120.51 107.96 1q56 n ALA 14 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1q56 n ALA 14 Cb 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.14 1q56 n ALA 14 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1q56 n GLU 15 N -4.47 2.98 -4.16 0.00 0.28 -1.26 -5.07 120.64 108.94 1q56 n GLU 15 Ca -0.24 0.00 -0.31 0.00 -0.16 0.00 0.00 57.16 56.45 1q56 n GLU 15 Cb 0.65 0.00 -0.08 0.00 1.43 0.00 0.00 31.44 33.44 1q56 n GLU 15 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1q56 s ALA 16 N -2.00 3.30 -0.08 -1.84 0.00 -1.25 -4.73 121.76 115.16 1q56 s ALA 16 Ca 0.00 -1.08 0.04 0.00 0.00 0.00 0.00 51.96 50.93 1q56 s ALA 16 Cb 0.00 -1.23 -0.00 0.00 0.00 0.00 0.00 23.12 21.88 1q56 s ALA 16 CO 0.00 0.69 -0.22 0.42 0.00 0.00 0.00 175.76 176.65 1q56 s ILE 17 N -1.27 1.89 -0.16 0.00 -1.09 -1.18 -3.69 121.20 115.71 1q56 s ILE 17 Ca 0.25 -0.94 -0.14 0.00 -2.23 0.00 0.00 60.65 57.59 1q56 s ILE 17 Cb -0.12 -1.63 -0.05 0.00 -1.58 0.00 0.00 42.46 39.08 1q56 s ILE 17 CO 0.17 0.53 0.29 0.00 -1.23 0.00 0.00 174.94 174.69 1q56 s ALA 18 N 0.24 3.59 0.61 9.38 0.00 -1.19 -2.43 121.76 131.95 1q56 s ALA 18 Ca -0.14 -0.45 0.03 0.00 0.00 0.00 0.00 51.96 51.40 1q56 s ALA 18 Cb -0.16 -2.39 0.08 0.00 0.00 0.00 0.00 23.12 20.64 1q56 s ALA 18 CO 0.07 0.09 0.84 -0.06 0.00 0.00 0.00 175.76 176.69 1q56 s PHE 19 N 0.47 2.07 0.00 0.00 0.40 0.36 -4.30 117.98 116.98 1q56 s PHE 19 Ca 0.16 -0.30 0.00 0.00 -0.60 0.00 0.00 56.93 56.19 1q56 s PHE 19 Cb -0.13 -2.69 0.00 0.00 0.51 0.00 0.00 43.02 40.71 1q56 s PHE 19 CO 0.04 -1.20 0.10 -0.40 0.70 0.00 0.00 175.22 174.46 1q56 n ASP 20 N -2.45 0.20 0.00 1.36 5.75 -1.25 -4.19 116.55 115.96 1q56 n ASP 20 Ca 0.12 -0.53 0.00 0.00 -0.01 0.00 0.00 54.79 54.37 1q56 n ASP 20 Cb 0.60 0.42 0.00 0.00 -1.03 0.00 0.00 41.12 41.12 1q56 n ASP 20 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1q56 n GLY 21 N 0.42 0.49 0.00 6.12 0.00 0.34 -4.78 105.19 107.79 1q56 n GLY 21 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1q56 n GLY 21 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1q56 n ARG 22 N -2.00 0.91 -3.17 1.61 0.63 -1.26 -3.10 116.66 110.27 1q56 n ARG 22 Ca 0.00 -0.05 -0.39 0.00 -0.92 0.00 0.00 57.85 56.49 1q56 n ARG 22 Cb 0.00 -0.34 -0.06 0.00 0.45 0.00 0.00 32.46 32.51 1q56 n ARG 22 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 1q56 s THR 23 N -0.15 4.61 -0.52 5.15 2.01 -1.26 -4.79 115.64 120.69 1q56 s THR 23 Ca 0.00 1.38 -0.03 0.00 0.31 0.00 0.00 61.69 63.34 1q56 s THR 23 Cb 0.00 -3.98 0.14 0.00 0.01 0.00 0.00 72.50 68.67 1q56 s THR 23 CO 0.00 0.53 0.34 -0.72 -0.69 0.00 0.00 174.62 174.07 1q56 s TYR 24 N -1.15 3.49 -0.68 4.92 -0.85 -1.26 -4.24 117.35 117.58 1q56 s TYR 24 Ca 0.32 -2.53 -0.27 0.00 -0.52 0.00 0.00 57.07 54.07 1q56 s TYR 24 Cb -0.21 -3.24 0.02 0.00 0.38 0.00 0.00 41.96 38.91 1q56 s TYR 24 CO 0.22 -0.91 1.44 -1.64 -1.52 0.00 0.00 175.55 173.13 1q56 s MET 25 N 0.55 3.07 -0.23 -3.49 -1.94 -1.08 -4.80 119.30 111.38 1q56 s MET 25 Ca 0.12 0.06 -0.06 0.00 -1.71 0.00 0.00 55.69 54.10 1q56 s MET 25 Cb -0.22 -4.22 -0.03 0.00 2.01 0.00 0.00 34.83 32.38 1q56 s MET 25 CO -0.04 -2.26 0.04 -1.83 -0.01 0.00 0.00 175.02 170.92 1q56 s GLU 26 N 6.01 3.63 -0.35 2.03 1.03 -1.26 0.57 118.70 130.37 1q56 s GLU 26 Ca 0.45 -0.50 -0.05 0.00 0.03 0.00 0.00 54.97 54.90 1q56 s GLU 26 Cb -0.09 -3.21 0.06 0.00 -0.80 0.00 0.00 34.13 30.08 1q56 s GLU 26 CO 0.18 -0.11 0.11 0.71 -1.33 0.00 0.00 175.26 174.82 1q56 s TYR 27 N 1.35 3.31 -0.39 4.83 2.02 0.10 -4.57 117.35 124.01 1q56 s TYR 27 Ca 0.05 -1.69 -0.21 0.00 -0.37 0.00 0.00 57.07 54.84 1q56 s TYR 27 Cb -0.15 -2.45 0.01 0.00 -0.40 0.00 0.00 41.96 38.98 1q56 s TYR 27 CO 0.02 -0.80 0.69 -1.58 -1.57 0.00 0.00 175.55 172.32 1q56 s HIS 28 N 1.33 3.10 -0.03 2.71 2.46 -1.26 -2.70 115.29 120.90 1q56 s HIS 28 Ca -0.01 0.27 0.04 0.00 0.47 0.00 0.00 55.06 55.84 1q56 s HIS 28 Cb -0.20 -3.33 -0.01 0.00 -0.13 0.00 0.00 32.58 28.91 1q56 s HIS 28 CO 0.01 -0.76 -0.15 1.21 -2.47 0.00 0.00 174.74 172.57 1q56 s ASN 29 N 1.91 1.88 0.07 9.88 3.04 -1.22 -4.97 114.94 125.52 1q56 s ASN 29 Ca 0.26 -0.30 -0.14 0.00 0.04 0.00 0.00 52.86 52.72 1q56 s ASN 29 Cb -0.14 -0.38 -0.06 0.00 -1.54 0.00 0.00 41.25 39.13 1q56 s ASN 29 CO 0.17 0.16 0.48 0.00 -3.04 0.00 0.00 177.10 174.87 1q56 s ALA 30 N -0.12 3.65 0.00 1.71 0.00 -1.26 -4.01 121.76 121.73 1q56 s ALA 30 Ca 0.01 -0.18 0.00 0.00 0.00 0.00 0.00 51.96 51.79 1q56 s ALA 30 Cb -0.09 -2.45 0.00 0.00 0.00 0.00 0.00 23.12 20.58 1q56 s ALA 30 CO 0.01 0.48 0.00 1.33 0.00 0.00 0.00 175.76 177.57 1q56 n VAL 31 N 1.32 0.00 -3.15 0.00 0.24 -1.26 -5.08 118.33 110.41 1q56 n VAL 31 Ca -0.10 0.00 0.06 0.00 -2.04 0.00 0.00 64.34 62.26 1q56 n VAL 31 Cb 0.52 -0.75 -0.02 0.00 -1.47 0.00 0.00 33.84 32.12 1q56 n VAL 31 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1q56 s THR 32 N -1.91 -0.01 -1.31 3.34 -1.32 -1.26 -5.07 115.64 108.10 1q56 s THR 32 Ca 0.00 0.00 -0.18 0.00 -1.21 0.00 0.00 61.69 60.30 1q56 s THR 32 Cb 0.00 -1.00 0.07 0.00 -1.51 0.00 0.00 72.50 70.06 1q56 s THR 32 CO 0.00 0.00 1.77 1.17 -2.21 0.00 0.00 174.62 175.35 1q56 n LYS 33 N 5.44 3.18 0.02 7.08 4.81 -1.26 -4.10 118.16 133.33 1q56 n LYS 33 Ca -0.10 -3.25 0.00 0.00 -0.87 0.00 0.00 58.31 54.10 1q56 n LYS 33 Cb 0.55 -3.48 0.00 0.00 0.02 0.00 0.00 35.03 32.12 1q56 n LYS 33 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1q56 n SER 34 N 8.19 -0.35 -3.25 3.14 7.64 -1.26 -4.99 113.62 122.75 1q56 n SER 34 Ca 0.49 0.17 -0.23 0.00 1.01 0.00 0.00 58.87 60.31 1q56 n SER 34 Cb 0.45 0.53 -0.03 0.00 -1.01 0.00 0.00 64.21 64.15 1q56 n SER 34 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1q56 n GLU 35 N -2.15 1.34 -1.63 1.43 2.13 -1.26 -4.87 120.64 115.63 1q56 n GLU 35 Ca 0.00 -1.28 -0.64 0.00 0.66 0.00 0.00 57.16 55.90 1q56 n GLU 35 Cb 0.00 -2.44 -0.10 0.00 0.27 0.00 0.00 31.44 29.17 1q56 n GLU 35 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1q56 n LYS 36 N 5.22 0.00 -1.02 5.31 3.00 -1.26 -4.39 118.16 125.02 1q56 n LYS 36 Ca 0.35 0.00 0.03 0.00 -0.00 0.00 0.00 58.31 58.70 1q56 n LYS 36 Cb 0.18 -1.44 -0.02 0.00 0.00 0.00 0.00 35.03 33.74 1q56 n LYS 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1q56 n ALA 37 N 4.24 -1.76 -2.43 3.14 0.00 -1.26 -4.95 120.51 117.49 1q56 n ALA 37 Ca 0.32 0.41 -0.31 0.00 0.00 0.00 0.00 53.44 53.86 1q56 n ALA 37 Cb -0.06 -1.12 -0.16 0.00 0.00 0.00 0.00 19.45 18.12 1q56 n ALA 37 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1q56 s LEU 38 N -5.03 2.14 0.51 0.00 1.02 -1.26 -4.99 118.68 111.07 1q56 s LEU 38 Ca 0.00 -0.45 0.41 0.00 0.02 0.00 0.00 54.13 54.11 1q56 s LEU 38 Cb 0.00 -1.37 1.60 0.00 0.02 0.00 0.00 46.19 46.44 1q56 s LEU 38 CO 0.00 0.31 1.61 0.06 0.02 0.00 0.00 176.35 178.35 1q56 h GLN 39 N 5.60 0.03 -3.05 1.70 3.07 -1.94 -3.40 115.11 117.12 1q56 h GLN 39 Ca -0.41 -0.00 -0.12 0.00 0.09 0.00 0.00 58.65 58.21 1q56 h GLN 39 Cb 1.14 -0.01 -0.21 0.00 0.08 0.00 0.00 27.48 28.48 1q56 h GLN 39 CO 0.47 0.02 -0.29 -1.12 0.09 0.00 0.00 178.83 178.00 1q56 s SER 40 N -4.25 -0.20 0.06 0.06 0.01 -1.26 -0.77 113.70 107.35 1q56 s SER 40 Ca -0.06 0.14 0.05 0.00 1.31 0.00 0.00 55.95 57.39 1q56 s SER 40 Cb 0.28 0.35 -0.04 0.00 0.21 0.00 0.00 66.02 66.82 1q56 s SER 40 CO 0.86 -0.40 -0.08 0.20 0.41 0.00 0.00 173.24 174.22 1q56 s ASN 41 N -1.14 4.49 -0.14 2.44 0.02 0.16 -4.93 114.94 115.84 1q56 s ASN 41 Ca -0.12 -0.27 0.02 0.00 -1.02 0.00 0.00 52.86 51.46 1q56 s ASN 41 Cb -0.05 -0.95 0.02 0.00 0.02 0.00 0.00 41.25 40.29 1q56 s ASN 41 CO 0.04 0.23 -0.17 -1.00 0.02 0.00 0.00 177.10 176.21 1q56 s HIS 42 N -1.11 2.31 -0.18 2.20 3.76 -1.26 -2.55 115.29 118.46 1q56 s HIS 42 Ca 0.19 -1.20 0.01 0.00 -0.15 0.00 0.00 55.06 53.92 1q56 s HIS 42 Cb -0.11 -1.63 0.03 0.00 1.11 0.00 0.00 32.58 31.98 1q56 s HIS 42 CO 0.11 -0.60 -0.15 -0.06 -0.85 0.00 0.00 174.74 173.18 1q56 s PHE 43 N 1.10 2.58 -0.01 1.40 0.08 -0.71 -2.05 117.98 120.37 1q56 s PHE 43 Ca -0.03 -1.59 0.05 0.00 0.12 0.00 0.00 56.93 55.49 1q56 s PHE 43 Cb -0.14 -1.77 -0.01 0.00 -0.57 0.00 0.00 43.02 40.52 1q56 s PHE 43 CO -0.05 -0.76 -0.17 -1.21 -0.10 0.00 0.00 175.22 172.92 1q56 s GLU 44 N 1.35 1.41 0.00 0.44 2.02 0.11 -0.79 118.70 123.23 1q56 s GLU 44 Ca 0.02 -0.62 0.00 0.00 0.02 0.00 0.00 54.97 54.40 1q56 s GLU 44 Cb -0.14 -1.36 0.00 0.00 0.10 0.00 0.00 34.13 32.73 1q56 s GLU 44 CO -0.11 0.37 0.00 1.47 0.02 0.00 0.00 175.26 177.01 1q56 n LEU 45 N 2.67 0.00 -4.29 1.80 -0.00 -0.98 -0.31 117.00 115.89 1q56 n LEU 45 Ca -0.15 0.00 -0.24 0.00 -0.00 0.00 0.00 56.01 55.62 1q56 n LEU 45 Cb 0.54 0.00 -0.13 0.00 -0.00 0.00 0.00 43.42 43.83 1q56 n LEU 45 CO 0.24 0.00 -0.52 -0.44 -0.00 0.00 0.00 177.39 176.67 1q56 s SER 46 N 0.00 2.59 0.12 1.45 0.01 -0.97 -0.46 113.70 116.45 1q56 s SER 46 Ca 0.00 -0.68 -0.01 0.00 1.31 0.00 0.00 55.95 56.57 1q56 s SER 46 Cb 0.00 -0.15 -0.04 0.00 0.21 0.00 0.00 66.02 66.04 1q56 s SER 46 CO 0.00 0.07 0.04 0.27 0.41 0.00 0.00 173.24 174.03 1q56 s ILE 47 N -1.13 0.19 -0.64 1.44 -4.36 -0.97 -1.32 121.20 114.41 1q56 s ILE 47 Ca 0.07 -1.90 0.01 0.00 -0.26 0.00 0.00 60.65 58.57 1q56 s ILE 47 Cb -0.10 -1.97 0.16 0.00 1.25 0.00 0.00 42.46 41.80 1q56 s ILE 47 CO 0.04 -0.55 0.43 -0.75 0.24 0.00 0.00 174.94 174.35 1q56 s LYS 48 N -4.01 2.43 0.64 0.37 2.47 0.81 -1.55 119.74 120.90 1q56 s LYS 48 Ca 0.21 -2.83 -0.15 0.00 -1.56 0.00 0.00 55.97 51.65 1q56 s LYS 48 Cb 0.07 -3.55 -0.01 0.00 -1.46 0.00 0.00 37.83 32.88 1q56 s LYS 48 CO 0.00 -1.19 1.08 0.99 0.16 0.00 0.00 175.35 176.40 1q56 s THR 49 N -0.60 3.58 -0.00 3.43 2.01 -1.25 -0.95 115.64 121.86 1q56 s THR 49 Ca 0.20 0.70 0.00 0.00 0.31 0.00 0.00 61.69 62.90 1q56 s THR 49 Cb -0.18 -3.25 0.00 0.00 0.01 0.00 0.00 72.50 69.09 1q56 s THR 49 CO -0.06 -0.49 0.55 -0.62 -0.69 0.00 0.00 174.62 173.32 1q56 n GLU 50 N -2.38 0.27 0.00 4.92 -0.58 -1.10 -2.41 120.64 119.36 1q56 n GLU 50 Ca 0.09 -0.60 0.00 0.00 -0.42 0.00 0.00 57.16 56.23 1q56 n GLU 50 Cb 0.53 -0.55 0.00 0.00 -0.57 0.00 0.00 31.44 30.85 1q56 n GLU 50 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1q56 n ALA 51 N -0.05 1.42 0.00 0.62 0.00 -1.26 -5.04 120.51 116.20 1q56 n ALA 51 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1q56 n ALA 51 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 1q56 n ALA 51 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1q56 n THR 52 N -0.45 0.00 -4.93 0.00 -2.24 -1.26 -4.73 114.28 100.67 1q56 n THR 52 Ca 0.00 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.52 1q56 n THR 52 Cb 0.00 0.00 -0.16 0.00 -2.10 0.00 0.00 70.33 68.07 1q56 n THR 52 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1q56 s GLN 53 N 0.00 1.70 0.00 -0.78 0.74 -1.26 -0.92 119.66 119.14 1q56 s GLN 53 Ca 0.00 -0.68 0.00 0.00 0.05 0.00 0.00 55.36 54.73 1q56 s GLN 53 Cb 0.00 -1.57 0.00 0.00 1.10 0.00 0.00 33.01 32.54 1q56 s GLN 53 CO 0.00 0.36 0.00 0.41 -0.55 0.00 0.00 175.29 175.51 1q56 n GLY 54 N 2.80 4.05 3.70 2.59 0.00 -0.67 -4.79 105.19 112.87 1q56 n GLY 54 Ca -0.16 -0.32 -0.39 0.00 0.00 0.00 0.00 46.02 45.15 1q56 n GLY 54 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1q56 s LEU 55 N 0.00 4.26 -0.10 0.99 0.05 -0.77 0.97 118.68 124.08 1q56 s LEU 55 Ca 0.00 0.99 0.02 0.00 0.05 0.00 0.00 54.13 55.19 1q56 s LEU 55 Cb 0.00 -2.92 -0.25 0.00 -2.05 0.00 0.00 46.19 40.97 1q56 s LEU 55 CO 0.00 -0.12 0.45 -0.38 -0.55 0.00 0.00 176.35 175.75 1q56 n ILE 56 N 3.98 1.70 -3.77 1.48 -0.00 0.37 -2.38 119.36 120.74 1q56 n ILE 56 Ca -0.03 -0.71 -0.13 0.00 -0.00 0.00 0.00 62.75 61.88 1q56 n ILE 56 Cb 0.51 -1.43 -0.10 0.00 -0.00 0.00 0.00 39.64 38.63 1q56 n ILE 56 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.55 176.33 1q56 s LEU 57 N -6.62 0.86 -0.22 1.39 0.20 0.30 0.26 118.68 114.86 1q56 s LEU 57 Ca -0.16 0.29 -0.04 0.00 0.69 0.00 0.00 54.13 54.92 1q56 s LEU 57 Cb 0.07 1.17 0.11 0.00 -0.43 0.00 0.00 46.19 47.11 1q56 s LEU 57 CO 0.79 -0.31 0.32 0.86 -0.29 0.00 0.00 176.35 177.72 1q56 s TRP 58 N -0.74 -0.62 0.30 5.38 -0.11 -0.55 0.26 118.94 122.86 1q56 s TRP 58 Ca -0.08 0.72 0.11 0.00 1.22 0.00 0.00 56.10 58.06 1q56 s TRP 58 Cb -0.04 -0.08 -0.05 0.00 -1.50 0.00 0.00 33.47 31.80 1q56 s TRP 58 CO 0.03 -0.63 -0.14 -1.12 -4.62 0.00 0.00 176.95 170.47 1q56 s SER 59 N 2.47 3.79 -0.30 5.86 0.01 -0.13 -2.78 113.70 122.63 1q56 s SER 59 Ca 0.09 -1.01 -0.16 0.00 1.31 0.00 0.00 55.95 56.17 1q56 s SER 59 Cb -0.15 -0.40 0.18 0.00 0.21 0.00 0.00 66.02 65.86 1q56 s SER 59 CO -0.14 -0.04 1.10 -0.83 0.41 0.00 0.00 173.24 173.75 1q56 s GLY 60 N -3.57 0.20 0.00 3.44 0.00 -1.25 -3.11 107.32 103.03 1q56 s GLY 60 Ca 0.31 3.41 0.00 0.00 0.00 0.00 0.00 44.72 48.44 1q56 s GLY 60 CO 0.16 2.86 0.76 0.28 0.00 0.00 0.00 173.10 177.16 1q56 n LYS 61 N 3.84 0.83 -3.21 2.90 4.76 -1.01 -4.73 118.16 121.54 1q56 n LYS 61 Ca -0.15 0.00 -0.15 0.00 -2.87 0.00 0.00 58.31 55.14 1q56 n LYS 61 Cb 0.56 -1.07 0.08 0.00 -1.84 0.00 0.00 35.03 32.76 1q56 n LYS 61 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1q56 n GLY 62 N 0.29 -0.37 0.00 0.72 0.00 -1.26 -4.99 105.19 99.57 1q56 n GLY 62 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1q56 n GLY 62 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1q56 n LEU 63 N -3.60 0.00 -0.00 0.99 7.99 -1.26 -4.95 117.00 116.16 1q56 n LEU 63 Ca -0.22 0.00 0.06 0.00 -0.01 0.00 0.00 56.01 55.84 1q56 n LEU 63 Cb 0.64 0.00 -0.09 0.00 -0.11 0.00 0.00 43.42 43.86 1q56 n LEU 63 CO 0.53 -1.09 -0.33 -0.62 -1.51 0.00 0.00 177.39 174.37 1q56 n GLU 64 N -1.16 1.64 -0.65 3.23 1.02 -1.26 -4.75 120.64 118.72 1q56 n GLU 64 Ca 0.00 -0.06 -0.03 0.00 -0.02 0.00 0.00 57.16 57.05 1q56 n GLU 64 Cb 0.00 -1.20 -0.03 0.00 -0.02 0.00 0.00 31.44 30.19 1q56 n GLU 64 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 1q56 n ARG 65 N -1.62 0.00 -2.88 3.49 1.85 -1.26 -5.14 116.66 111.10 1q56 n ARG 65 Ca 0.00 -0.42 -0.18 0.00 -1.00 0.00 0.00 57.85 56.26 1q56 n ARG 65 Cb 0.27 0.35 0.04 0.00 -1.05 0.00 0.00 32.46 32.07 1q56 n ARG 65 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 1q56 n SER 66 N 0.00 1.96 0.00 2.89 3.41 -1.26 -5.14 113.62 115.48 1q56 n SER 66 Ca -0.12 -2.35 0.00 0.00 -0.26 0.00 0.00 58.87 56.14 1q56 n SER 66 Cb 0.45 -0.24 0.00 0.00 -0.26 0.00 0.00 64.21 64.16 1q56 n SER 66 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1q56 n ASP 67 N -2.26 0.00 0.00 4.04 9.92 -1.26 -4.90 116.55 122.09 1q56 n ASP 67 Ca 0.08 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.34 1q56 n ASP 67 Cb 0.50 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.98 1q56 n ASP 67 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1q56 n TYR 68 N 0.00 0.00 -3.78 1.24 0.18 -1.20 -4.89 117.16 108.71 1q56 n TYR 68 Ca 0.00 0.00 -0.13 0.00 1.88 0.00 0.00 57.90 59.65 1q56 n TYR 68 Cb 0.00 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 38.86 1q56 n TYR 68 CO 0.00 0.00 0.00 -1.50 -2.08 0.00 0.00 176.86 173.28 1q56 s ILE 69 N -3.00 0.04 0.18 -3.48 1.10 -1.18 -1.29 121.20 113.57 1q56 s ILE 69 Ca 0.00 -0.32 0.00 0.00 -0.51 0.00 0.00 60.65 59.82 1q56 s ILE 69 Cb 0.00 -0.51 -0.00 0.00 0.15 0.00 0.00 42.46 42.10 1q56 s ILE 69 CO 0.00 -0.18 0.23 0.00 -2.11 0.00 0.00 174.94 172.89 1q56 n ALA 70 N 1.96 -0.05 -3.69 1.50 0.00 0.19 -0.95 120.51 119.46 1q56 n ALA 70 Ca -0.18 -0.90 -0.11 0.00 0.00 0.00 0.00 53.44 52.25 1q56 n ALA 70 Cb 0.57 0.73 -0.12 0.00 0.00 0.00 0.00 19.45 20.63 1q56 n ALA 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1q56 s LEU 71 N 0.00 -0.12 0.27 0.00 1.43 0.71 -1.79 118.68 119.18 1q56 s LEU 71 Ca 0.17 0.77 -0.03 0.00 -1.03 0.00 0.00 54.13 54.00 1q56 s LEU 71 Cb -0.00 1.08 -0.02 0.00 0.03 0.00 0.00 46.19 47.28 1q56 s LEU 71 CO 0.12 -0.20 0.33 0.00 0.23 0.00 0.00 176.35 176.83 1q56 s ALA 72 N 1.79 0.78 -0.00 4.21 0.00 -1.16 0.14 121.76 127.51 1q56 s ALA 72 Ca -0.06 -1.48 0.07 0.00 0.00 0.00 0.00 51.96 50.49 1q56 s ALA 72 Cb -0.10 1.26 -0.03 0.00 0.00 0.00 0.00 23.12 24.25 1q56 s ALA 72 CO -0.11 -0.72 -0.21 0.42 0.00 0.00 0.00 175.76 175.14 1q56 s ILE 73 N -3.75 2.50 -0.02 0.00 1.01 0.27 -0.28 121.20 120.93 1q56 s ILE 73 Ca 0.33 -1.07 0.00 0.00 0.00 0.00 0.00 60.65 59.91 1q56 s ILE 73 Cb 0.02 -1.96 0.03 0.00 0.01 0.00 0.00 42.46 40.56 1q56 s ILE 73 CO 0.15 0.50 0.02 0.68 0.00 0.00 0.00 174.94 176.29 1q56 s VAL 74 N -0.74 0.02 -1.99 2.92 -7.23 0.53 -1.66 120.40 112.24 1q56 s VAL 74 Ca 0.12 0.17 0.00 0.00 -1.81 0.00 0.00 61.98 60.46 1q56 s VAL 74 Cb -0.10 -0.14 0.00 0.00 0.56 0.00 0.00 36.38 36.70 1q56 s VAL 74 CO 0.01 0.11 0.00 0.47 -0.31 0.00 0.00 175.10 175.38 1q56 n ASP 75 N 4.15 -5.14 0.00 4.85 9.92 -0.97 -1.18 116.55 128.17 1q56 n ASP 75 Ca -0.27 0.42 0.00 0.00 -0.53 0.00 0.00 54.79 54.40 1q56 n ASP 75 Cb 0.50 -4.54 0.00 0.00 -0.64 0.00 0.00 41.12 36.45 1q56 n ASP 75 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1q56 n GLY 76 N -0.44 0.77 2.96 0.44 0.00 -0.10 -4.98 105.19 103.83 1q56 n GLY 76 Ca -0.20 -0.42 -0.12 0.00 0.00 0.00 0.00 46.02 45.28 1q56 n GLY 76 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1q56 s PHE 77 N -2.00 0.31 0.00 1.61 0.08 -0.33 -1.97 117.98 115.69 1q56 s PHE 77 Ca 0.00 -0.24 0.00 0.00 0.12 0.00 0.00 56.93 56.81 1q56 s PHE 77 Cb 0.00 -0.20 0.00 0.00 -0.57 0.00 0.00 43.02 42.25 1q56 s PHE 77 CO 0.00 -0.06 0.00 1.33 -0.10 0.00 0.00 175.22 176.39 1q56 n VAL 78 N 2.38 0.00 0.00 -0.44 0.24 -1.26 0.20 118.33 119.45 1q56 n VAL 78 Ca -0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.13 1q56 n VAL 78 Cb 0.57 -1.96 0.00 0.00 -1.47 0.00 0.00 33.84 30.98 1q56 n VAL 78 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1q56 n GLN 79 N -0.76 0.00 -1.64 7.34 10.64 0.61 -1.89 117.38 131.68 1q56 n GLN 79 Ca 0.00 0.00 -0.22 0.00 -1.83 0.00 0.00 57.00 54.95 1q56 n GLN 79 Cb 0.00 0.00 -0.06 0.00 -0.86 0.00 0.00 30.24 29.32 1q56 n GLN 79 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.06 176.64 1q56 s MET 80 N 0.00 1.87 -0.42 2.61 -2.45 -1.12 -3.01 119.30 116.78 1q56 s MET 80 Ca 0.00 0.65 -0.22 0.00 -1.25 0.00 0.00 55.69 54.87 1q56 s MET 80 Cb 0.00 -4.74 0.02 0.00 1.25 0.00 0.00 34.83 31.35 1q56 s MET 80 CO 0.00 -3.96 0.71 1.41 1.05 0.00 0.00 175.02 174.23 1q56 s MET 81 N 8.45 3.45 -0.04 4.11 0.00 -0.74 -3.02 119.30 131.50 1q56 s MET 81 Ca 0.90 -0.13 -0.04 0.00 0.00 0.00 0.00 55.69 56.42 1q56 s MET 81 Cb -0.13 -3.91 0.01 0.00 0.00 0.00 0.00 34.83 30.80 1q56 s MET 81 CO 0.12 -0.99 0.11 1.52 0.00 0.00 0.00 175.02 175.78 1q56 s TYR 82 N 3.01 -0.09 -0.41 4.11 -0.85 -1.13 0.56 117.35 122.54 1q56 s TYR 82 Ca 0.27 0.23 0.07 0.00 -0.52 0.00 0.00 57.07 57.11 1q56 s TYR 82 Cb -0.13 0.02 0.24 0.00 0.38 0.00 0.00 41.96 42.47 1q56 s TYR 82 CO 0.19 -0.08 0.51 -0.40 -1.52 0.00 0.00 175.55 174.25 1q56 n ASP 83 N 2.82 0.34 0.00 -0.18 5.68 -0.41 -0.36 116.55 124.44 1q56 n ASP 83 Ca -0.14 -2.70 0.06 0.00 -0.50 0.00 0.00 54.79 51.51 1q56 n ASP 83 Cb 0.59 -0.63 0.28 0.00 -1.14 0.00 0.00 41.12 40.21 1q56 n ASP 83 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1q56 n LEU 84 N 1.57 0.00 0.00 -2.12 -0.00 -1.17 -3.27 117.00 112.01 1q56 n LEU 84 Ca 0.23 0.37 -0.04 0.00 -0.00 0.00 0.00 56.01 56.57 1q56 n LEU 84 Cb 0.51 -0.37 -0.01 0.00 -0.00 0.00 0.00 43.42 43.55 1q56 n LEU 84 CO 0.18 -0.22 -0.32 0.61 -0.00 0.00 0.00 177.39 177.64 1q56 n GLY 85 N -0.29 -0.16 0.00 1.47 0.00 -1.26 -4.08 105.19 100.87 1q56 n GLY 85 Ca 0.05 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1q56 n GLY 85 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1q56 n SER 86 N -3.66 0.00 -4.40 1.61 2.88 -1.24 -4.86 113.62 103.95 1q56 n SER 86 Ca -0.06 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.13 1q56 n SER 86 Cb 0.25 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.58 1q56 n SER 86 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1q56 s LYS 87 N -0.14 3.52 0.26 -1.46 -0.14 -1.26 -4.98 119.74 115.55 1q56 s LYS 87 Ca 0.00 -0.57 -0.29 0.00 -1.36 0.00 0.00 55.97 53.74 1q56 s LYS 87 Cb 0.00 -2.98 -0.09 0.00 -1.68 0.00 0.00 37.83 33.08 1q56 s LYS 87 CO 0.00 -0.00 1.13 -1.25 -0.76 0.00 0.00 175.35 174.46 1q56 s PRO 88 N 0.99 4.60 -0.27 -1.68 0.04 -1.26 -4.30 135.00 133.13 1q56 s PRO 88 Ca 0.01 1.84 -0.11 0.00 0.04 0.00 0.00 61.00 62.78 1q56 s PRO 88 Cb -0.15 -3.19 -0.05 0.00 0.04 0.00 0.00 34.50 31.15 1q56 s PRO 88 CO 0.01 0.14 0.17 0.54 0.04 0.00 0.00 177.00 177.90 1q56 s VAL 89 N -0.97 5.24 -1.07 -0.36 0.11 0.51 -4.77 120.40 119.09 1q56 s VAL 89 Ca 0.46 0.14 -0.10 0.00 -2.93 0.00 0.00 61.98 59.55 1q56 s VAL 89 Cb -0.32 -3.48 0.26 0.00 -1.53 0.00 0.00 36.38 31.30 1q56 s VAL 89 CO 0.41 0.28 1.08 0.54 -3.33 0.00 0.00 175.10 174.08 1q56 s VAL 90 N 1.60 5.85 -1.22 2.04 0.11 -1.26 -2.83 120.40 124.70 1q56 s VAL 90 Ca 0.07 -3.18 -0.17 0.00 -2.93 0.00 0.00 61.98 55.76 1q56 s VAL 90 Cb -0.15 -4.61 -0.02 0.00 -1.53 0.00 0.00 36.38 30.06 1q56 s VAL 90 CO 0.09 -1.20 2.08 0.18 -3.33 0.00 0.00 175.10 172.92 1q56 n LEU 91 N 3.19 5.67 -4.22 2.54 4.77 -1.17 -4.80 117.00 122.99 1q56 n LEU 91 Ca 0.23 -3.69 -0.30 0.00 -0.03 0.00 0.00 56.01 52.22 1q56 n LEU 91 Cb 0.41 -1.50 0.28 0.00 -2.33 0.00 0.00 43.42 40.28 1q56 n LEU 91 CO 0.46 0.44 0.34 0.54 -1.33 0.00 0.00 177.39 177.84 1q56 n ARG 92 N 6.68 -4.55 -4.33 3.23 1.74 -1.26 -2.79 116.66 115.38 1q56 n ARG 92 Ca 0.51 -1.35 -0.30 0.00 -0.77 0.00 0.00 57.85 55.94 1q56 n ARG 92 Cb 0.40 -1.91 -0.11 0.00 -1.02 0.00 0.00 32.46 29.83 1q56 n ARG 92 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1q56 s SER 93 N -2.95 4.09 -0.44 0.55 0.15 -0.79 -4.42 113.70 109.88 1q56 s SER 93 Ca 0.65 -0.46 0.04 0.00 0.70 0.00 0.00 55.95 56.88 1q56 s SER 93 Cb -0.13 -0.68 0.53 0.00 -1.71 0.00 0.00 66.02 64.03 1q56 s SER 93 CO 0.56 0.19 1.71 0.41 1.20 0.00 0.00 173.24 177.31 1q56 n THR 94 N 0.89 3.04 -4.23 6.45 -1.04 -1.26 -4.62 114.28 113.50 1q56 n THR 94 Ca -0.15 -2.81 -0.20 0.00 -2.04 0.00 0.00 64.05 58.85 1q56 n THR 94 Cb 0.52 -0.72 -0.12 0.00 -1.82 0.00 0.00 70.33 68.19 1q56 n THR 94 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1q56 s VAL 95 N -3.92 1.39 -0.06 12.58 0.11 -1.26 -5.06 120.40 124.17 1q56 s VAL 95 Ca 0.55 -1.54 -0.30 0.00 -2.93 0.00 0.00 61.98 57.76 1q56 s VAL 95 Cb 0.46 -1.40 -0.05 0.00 -1.53 0.00 0.00 36.38 33.86 1q56 s VAL 95 CO 0.03 -0.25 1.51 -2.16 -3.33 0.00 0.00 175.10 170.90 1q56 s PRO 96 N -2.16 4.22 -0.08 1.54 0.04 -1.26 -4.61 135.00 132.68 1q56 s PRO 96 Ca 0.05 2.03 0.10 0.00 0.04 0.00 0.00 61.00 63.22 1q56 s PRO 96 Cb -0.08 -3.82 -0.14 0.00 0.04 0.00 0.00 34.50 30.49 1q56 s PRO 96 CO 0.03 -0.75 0.10 1.51 0.04 0.00 0.00 177.00 177.93 1q56 n ILE 97 N 5.23 0.51 -1.49 0.56 0.13 -0.83 -4.68 119.36 118.80 1q56 n ILE 97 Ca 0.15 -0.39 -0.40 0.00 -1.10 0.00 0.00 62.75 61.02 1q56 n ILE 97 Cb 0.43 -0.44 -0.02 0.00 -0.84 0.00 0.00 39.64 38.77 1q56 n ILE 97 CO 0.00 0.00 0.00 -0.46 2.80 0.00 0.00 176.55 178.89 1q56 n ASN 98 N -2.25 8.14 -0.07 9.51 6.94 -1.26 -3.83 115.26 132.45 1q56 n ASN 98 Ca -0.13 -2.71 0.04 0.00 -0.02 0.00 0.00 54.58 51.76 1q56 n ASN 98 Cb 0.68 -1.53 0.06 0.00 -2.36 0.00 0.00 39.78 36.63 1q56 n ASN 98 CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 177.26 176.64 1q56 n THR 99 N 3.37 1.21 -1.27 5.53 -1.04 -1.26 -4.89 114.28 115.94 1q56 n THR 99 Ca 0.73 -1.37 -0.11 0.00 -2.04 0.00 0.00 64.05 61.26 1q56 n THR 99 Cb 0.25 0.24 -0.05 0.00 -1.82 0.00 0.00 70.33 68.95 1q56 n THR 99 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1q56 n ASN 100 N -0.81 -3.81 -4.45 8.00 2.85 -1.01 -4.91 115.26 111.12 1q56 n ASN 100 Ca 0.07 0.28 -0.31 0.00 -0.11 0.00 0.00 54.58 54.51 1q56 n ASN 100 Cb 0.46 -3.28 -0.13 0.00 1.24 0.00 0.00 39.78 38.07 1q56 n ASN 100 CO 0.00 0.00 0.00 -1.00 -2.11 0.00 0.00 177.26 174.15 1q56 s HIS 101 N -1.91 2.56 -0.24 1.20 3.76 -1.26 -4.90 115.29 114.50 1q56 s HIS 101 Ca 0.00 -0.26 -0.28 0.00 -0.15 0.00 0.00 55.06 54.37 1q56 s HIS 101 Cb 0.00 -1.48 -0.05 0.00 1.11 0.00 0.00 32.58 32.16 1q56 s HIS 101 CO 0.00 0.24 2.24 0.91 -0.85 0.00 0.00 174.74 177.27 1q56 n TRP 102 N 1.63 1.91 -2.90 1.40 5.03 -1.26 -4.52 117.44 118.74 1q56 n TRP 102 Ca -0.16 -0.09 -0.18 0.00 3.03 0.00 0.00 57.50 60.09 1q56 n TRP 102 Cb 0.52 -2.71 0.02 0.00 -1.03 0.00 0.00 31.31 28.11 1q56 n TRP 102 CO 0.00 0.00 0.00 0.99 -0.03 0.00 0.00 177.69 178.65 1q56 s THR 103 N 8.51 2.85 -0.03 -0.99 2.01 -0.59 -4.85 115.64 122.56 1q56 s THR 103 Ca 1.01 -0.90 0.06 0.00 0.31 0.00 0.00 61.69 62.18 1q56 s THR 103 Cb -0.35 -2.95 -0.01 0.00 0.01 0.00 0.00 72.50 69.19 1q56 s THR 103 CO 0.35 0.00 -0.22 -2.28 -0.69 0.00 0.00 174.62 171.79 1q56 s HIS 104 N -2.49 2.00 0.04 4.92 2.46 -1.26 -2.29 115.29 118.67 1q56 s HIS 104 Ca 0.56 -0.44 0.03 0.00 0.47 0.00 0.00 55.06 55.68 1q56 s HIS 104 Cb -0.10 -1.30 -0.02 0.00 -0.13 0.00 0.00 32.58 31.03 1q56 s HIS 104 CO 0.35 -0.08 -0.09 0.42 -2.47 0.00 0.00 174.74 172.87 1q56 s ILE 105 N -0.38 0.65 -0.13 0.89 1.01 0.39 0.23 121.20 123.86 1q56 s ILE 105 Ca 0.05 -1.06 -0.07 0.00 0.00 0.00 0.00 60.65 59.58 1q56 s ILE 105 Cb -0.10 -0.68 0.05 0.00 0.01 0.00 0.00 42.46 41.74 1q56 s ILE 105 CO 0.00 -0.31 0.31 -0.75 0.00 0.00 0.00 174.94 174.19 1q56 s LYS 106 N -1.49 0.27 -0.25 2.79 2.36 -0.96 -2.32 119.74 120.13 1q56 s LYS 106 Ca -0.07 0.62 0.02 0.00 -2.55 0.00 0.00 55.97 53.99 1q56 s LYS 106 Cb -0.09 -0.08 0.06 0.00 -1.05 0.00 0.00 37.83 36.67 1q56 s LYS 106 CO 0.01 -0.16 -0.08 0.00 1.55 0.00 0.00 175.35 176.67 1q56 s ALA 107 N 1.29 2.32 -0.28 3.13 0.00 0.03 -2.46 121.76 125.79 1q56 s ALA 107 Ca -0.09 -1.64 -0.00 0.00 0.00 0.00 0.00 51.96 50.23 1q56 s ALA 107 Cb -0.10 -1.54 0.05 0.00 0.00 0.00 0.00 23.12 21.53 1q56 s ALA 107 CO -0.10 -1.23 -0.04 1.52 0.00 0.00 0.00 175.76 175.91 1q56 s TYR 108 N 1.22 3.25 -0.05 0.00 -0.85 -1.04 -1.73 117.35 118.15 1q56 s TYR 108 Ca -0.07 -2.01 0.04 0.00 -0.52 0.00 0.00 57.07 54.52 1q56 s TYR 108 Cb -0.19 -2.04 -0.00 0.00 0.38 0.00 0.00 41.96 40.10 1q56 s TYR 108 CO -0.06 -0.83 -0.18 0.50 -1.52 0.00 0.00 175.55 173.47 1q56 s ARG 109 N 1.21 1.99 -0.86 -3.49 3.52 -1.06 -1.80 118.95 118.46 1q56 s ARG 109 Ca -0.06 -0.64 -0.15 0.00 -0.13 0.00 0.00 55.73 54.75 1q56 s ARG 109 Cb -0.20 -1.68 0.20 0.00 -1.56 0.00 0.00 34.95 31.72 1q56 s ARG 109 CO -0.03 0.22 0.87 0.08 -0.81 0.00 0.00 175.30 175.63 1q56 s VAL 110 N 0.14 5.41 -0.10 7.11 1.01 -0.13 -0.67 120.40 133.17 1q56 s VAL 110 Ca -0.07 -2.29 -0.00 0.00 0.00 0.00 0.00 61.98 59.62 1q56 s VAL 110 Cb -0.13 -4.55 0.00 0.00 0.00 0.00 0.00 36.38 31.70 1q56 s VAL 110 CO 0.03 -1.15 0.00 1.67 0.00 0.00 0.00 175.10 175.65 1q56 n GLN 111 N 4.57 -0.99 0.00 2.72 7.27 0.05 -2.96 117.38 128.03 1q56 n GLN 111 Ca 0.17 0.01 0.00 0.00 0.07 0.00 0.00 57.00 57.24 1q56 n GLN 111 Cb 0.47 -0.23 0.00 0.00 2.41 0.00 0.00 30.24 32.89 1q56 n GLN 111 CO 0.00 0.00 0.00 -2.13 0.07 0.00 0.00 177.06 175.00 1q56 n ARG 112 N -1.16 0.00 -3.90 3.69 0.00 -1.26 -5.00 116.66 109.03 1q56 n ARG 112 Ca -0.02 0.00 -0.35 0.00 -0.00 0.00 0.00 57.85 57.48 1q56 n ARG 112 Cb 0.04 0.00 -0.14 0.00 0.00 0.00 0.00 32.46 32.36 1q56 n ARG 112 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 1q56 s GLU 113 N 0.00 3.40 0.29 -0.14 2.12 -1.16 0.11 118.70 123.33 1q56 s GLU 113 Ca 0.00 -0.61 0.07 0.00 0.36 0.00 0.00 54.97 54.79 1q56 s GLU 113 Cb 0.00 -3.03 -0.03 0.00 0.26 0.00 0.00 34.13 31.33 1q56 s GLU 113 CO 0.00 -0.19 0.30 0.20 -0.54 0.00 0.00 175.26 175.03 1q56 s GLY 114 N 1.48 1.53 0.04 -1.50 0.00 0.49 -0.96 107.32 108.41 1q56 s GLY 114 Ca 0.06 -1.47 -0.03 0.00 0.00 0.00 0.00 44.72 43.28 1q56 s GLY 114 CO -0.03 -1.45 0.02 -0.45 0.00 0.00 0.00 173.10 171.19 1q56 s SER 115 N -3.97 0.30 -0.15 1.64 0.15 -0.75 -0.71 113.70 110.21 1q56 s SER 115 Ca 0.38 -0.69 -0.07 0.00 0.70 0.00 0.00 55.95 56.27 1q56 s SER 115 Cb -0.08 0.19 0.06 0.00 -1.71 0.00 0.00 66.02 64.49 1q56 s SER 115 CO 0.27 -0.50 0.35 -0.22 1.20 0.00 0.00 173.24 174.34 1q56 s LEU 116 N -2.26 -0.14 -0.02 3.45 1.98 -0.81 -2.48 118.68 118.40 1q56 s LEU 116 Ca -0.03 0.77 0.01 0.00 -2.89 0.00 0.00 54.13 52.00 1q56 s LEU 116 Cb 0.00 1.09 0.01 0.00 0.66 0.00 0.00 46.19 47.95 1q56 s LEU 116 CO -0.06 -0.20 -0.05 -1.10 -1.89 0.00 0.00 176.35 173.05 1q56 s GLN 117 N 1.82 0.62 -0.61 1.98 -0.21 -1.03 0.10 119.66 122.33 1q56 s GLN 117 Ca -0.06 -0.15 -0.27 0.00 0.02 0.00 0.00 55.36 54.90 1q56 s GLN 117 Cb -0.10 -0.63 0.01 0.00 1.00 0.00 0.00 33.01 33.29 1q56 s GLN 117 CO -0.11 0.03 1.45 0.54 -2.12 0.00 0.00 175.29 175.08 1q56 s VAL 118 N 0.38 3.70 -0.97 1.09 0.11 -1.26 -2.27 120.40 121.17 1q56 s VAL 118 Ca -0.05 0.53 -0.00 0.00 -2.93 0.00 0.00 61.98 59.53 1q56 s VAL 118 Cb -0.08 -4.48 0.00 0.00 -1.53 0.00 0.00 36.38 30.29 1q56 s VAL 118 CO -0.00 -1.30 0.05 0.61 -3.33 0.00 0.00 175.10 171.13 1q56 n GLY 119 N 5.36 -0.09 2.14 6.54 0.00 0.63 -2.52 105.19 117.25 1q56 n GLY 119 Ca 0.11 -0.38 -0.07 0.00 0.00 0.00 0.00 46.02 45.68 1q56 n GLY 119 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1q56 n ASN 120 N -0.28 -2.76 -0.40 1.61 2.85 -1.09 -5.02 115.26 110.17 1q56 n ASN 120 Ca -0.13 -0.01 0.00 0.00 -0.11 0.00 0.00 54.58 54.34 1q56 n ASN 120 Cb 0.60 -2.08 0.00 0.00 1.24 0.00 0.00 39.78 39.54 1q56 n ASN 120 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1q56 n GLU 121 N -1.72 3.46 -1.22 1.20 1.02 -1.05 -4.87 120.64 117.47 1q56 n GLU 121 Ca -0.09 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.68 1q56 n GLU 121 Cb 0.57 0.00 -0.12 0.00 -0.02 0.00 0.00 31.44 31.87 1q56 n GLU 121 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1q56 n ALA 122 N -3.00 0.23 -2.19 0.62 0.00 -1.26 -4.52 120.51 110.40 1q56 n ALA 122 Ca 0.00 -0.16 -0.43 0.00 0.00 0.00 0.00 53.44 52.85 1q56 n ALA 122 Cb 0.00 -1.88 -0.02 0.00 0.00 0.00 0.00 19.45 17.55 1q56 n ALA 122 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1q56 s PRO 123 N 7.08 3.95 -0.61 0.00 0.04 -1.26 -4.49 135.00 139.72 1q56 s PRO 123 Ca 1.12 1.69 -0.19 0.00 0.04 0.00 0.00 61.00 63.66 1q56 s PRO 123 Cb -1.10 -3.96 0.11 0.00 0.04 0.00 0.00 34.50 29.59 1q56 s PRO 123 CO 0.44 -1.09 0.72 0.42 0.04 0.00 0.00 177.00 177.53 1q56 s ILE 124 N 4.60 4.83 0.50 0.56 1.09 0.29 -4.77 121.20 128.29 1q56 s ILE 124 Ca 0.67 -1.05 0.09 0.00 -1.10 0.00 0.00 60.65 59.26 1q56 s ILE 124 Cb -0.25 -4.50 0.05 0.00 -1.06 0.00 0.00 42.46 36.70 1q56 s ILE 124 CO 0.26 -1.14 0.68 0.42 -0.10 0.00 0.00 174.94 175.06 1q56 s THR 125 N 2.64 2.58 0.00 2.92 -4.23 -1.26 -1.92 115.64 116.36 1q56 s THR 125 Ca 0.12 -1.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.64 1q56 s THR 125 Cb -0.23 -2.59 0.00 0.00 1.34 0.00 0.00 72.50 71.02 1q56 s THR 125 CO 0.05 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.74 1q56 n GLY 126 N -2.04 1.71 3.23 3.99 0.00 0.11 -4.86 105.19 107.32 1q56 n GLY 126 Ca 0.12 -0.52 -0.13 0.00 0.00 0.00 0.00 46.02 45.49 1q56 n GLY 126 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1q56 s SER 127 N 0.00 0.75 0.88 1.61 0.01 -1.26 0.19 113.70 115.88 1q56 s SER 127 Ca 0.00 -1.28 -0.13 0.00 1.31 0.00 0.00 55.95 55.85 1q56 s SER 127 Cb 0.00 0.23 0.15 0.00 0.21 0.00 0.00 66.02 66.61 1q56 s SER 127 CO 0.00 -0.71 1.24 -0.44 0.41 0.00 0.00 173.24 173.74 1q56 s SER 128 N -3.17 3.76 0.00 2.44 0.01 0.12 -4.89 113.70 111.97 1q56 s SER 128 Ca 0.31 0.42 -0.02 0.00 1.31 0.00 0.00 55.95 57.96 1q56 s SER 128 Cb 0.07 -0.67 -0.09 0.00 0.21 0.00 0.00 66.02 65.54 1q56 s SER 128 CO 0.07 -2.33 2.44 -0.81 0.41 0.00 0.00 173.24 173.03 1q56 n PRO 129 N -3.51 1.28 -2.50 12.44 -0.04 -1.26 -4.85 135.00 136.56 1q56 n PRO 129 Ca 0.12 -0.34 -0.00 0.00 -0.04 0.00 0.00 63.50 63.23 1q56 n PRO 129 Cb 0.60 -1.38 -0.00 0.00 -0.04 0.00 0.00 33.50 32.68 1q56 n PRO 129 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1q56 n LEU 130 N 1.90 -2.69 0.00 1.53 4.77 -1.26 -5.01 117.00 116.24 1q56 n LEU 130 Ca 0.15 1.19 0.00 0.00 -0.03 0.00 0.00 56.01 57.32 1q56 n LEU 130 Cb 0.61 -1.74 0.00 0.00 -2.33 0.00 0.00 43.42 39.96 1q56 n LEU 130 CO 0.05 -2.28 0.00 0.61 -1.33 0.00 0.00 177.39 174.44 1q56 n GLY 131 N 2.19 -1.02 3.81 -0.72 0.00 -1.26 -5.16 105.19 103.02 1q56 n GLY 131 Ca -0.03 0.72 -0.01 0.00 0.00 0.00 0.00 46.02 46.70 1q56 n GLY 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q56 s ALA 132 N 0.00 -1.90 -0.28 4.61 0.00 -1.26 -4.21 121.76 118.71 1q56 s ALA 132 Ca 0.00 0.07 -0.36 0.00 0.00 0.00 0.00 51.96 51.68 1q56 s ALA 132 Cb 0.00 0.66 0.17 0.00 0.00 0.00 0.00 23.12 23.95 1q56 s ALA 132 CO 0.00 -1.07 1.37 -0.08 0.00 0.00 0.00 175.76 175.98 1q56 s THR 133 N -2.47 0.00 0.00 0.00 -1.32 -1.26 -5.00 115.64 105.58 1q56 s THR 133 Ca 0.19 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.67 1q56 s THR 133 Cb -0.00 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 1q56 s THR 133 CO 0.01 0.00 0.00 1.67 -2.21 0.00 0.00 174.62 174.09 1q56 n GLN 134 N 0.15 0.00 0.00 7.08 7.27 -1.26 -4.89 117.38 125.73 1q56 n GLN 134 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.11 1q56 n GLN 134 Cb 0.57 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.22 1q56 n GLN 134 CO 0.00 0.00 0.00 1.47 0.07 0.00 0.00 177.06 178.60 1q56 n LEU 135 N 0.00 0.00 -4.47 1.69 -0.00 -1.26 -4.34 117.00 108.61 1q56 n LEU 135 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 56.01 55.71 1q56 n LEU 135 Cb 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 43.42 43.30 1q56 n LEU 135 CO 0.00 0.00 -0.50 -1.81 -0.00 0.00 0.00 177.39 175.08 1q56 s ASP 136 N 0.00 3.81 -0.27 1.45 1.01 -1.26 -4.42 116.67 116.98 1q56 s ASP 136 Ca 0.00 -0.55 -0.00 0.00 0.71 0.00 0.00 52.55 52.71 1q56 s ASP 136 Cb 0.00 -0.52 0.16 0.00 1.01 0.00 0.00 42.92 43.57 1q56 s ASP 136 CO 0.00 0.19 0.45 0.42 0.21 0.00 0.00 175.17 176.45 1q56 s THR 137 N -1.09 -0.73 0.00 -1.27 -4.23 -1.26 -2.39 115.64 104.67 1q56 s THR 137 Ca 0.17 -0.12 0.00 0.00 -1.18 0.00 0.00 61.69 60.56 1q56 s THR 137 Cb -0.10 -0.92 0.00 0.00 1.34 0.00 0.00 72.50 72.81 1q56 s THR 137 CO 0.09 -0.14 0.00 -0.90 -0.54 0.00 0.00 174.62 173.13 1q56 n ASP 138 N 5.38 0.00 0.07 3.99 5.68 -1.26 -4.95 116.55 125.46 1q56 n ASP 138 Ca -0.01 0.00 0.21 0.00 -0.50 0.00 0.00 54.79 54.49 1q56 n ASP 138 Cb 0.50 0.00 0.68 0.00 -1.14 0.00 0.00 41.12 41.17 1q56 n ASP 138 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1q56 h GLY 139 N 0.00 0.00 -5.30 6.12 0.00 -1.93 -3.34 103.07 98.62 1q56 h GLY 139 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.36 1q56 h GLY 139 CO 0.00 0.00 0.23 0.00 0.00 0.00 0.00 176.54 176.77 1q56 s ALA 140 N -4.51 -1.96 0.01 3.60 0.00 -1.26 -3.44 121.76 114.20 1q56 s ALA 140 Ca -0.04 2.14 0.02 0.00 0.00 0.00 0.00 51.96 54.08 1q56 s ALA 140 Cb 0.14 -1.43 -0.01 0.00 0.00 0.00 0.00 23.12 21.82 1q56 s ALA 140 CO 0.49 -0.33 -0.06 -1.17 0.00 0.00 0.00 175.76 174.69 1q56 s LEU 141 N 0.91 2.08 0.09 0.00 2.96 -1.10 -3.85 118.68 119.77 1q56 s LEU 141 Ca -0.04 -0.22 0.09 0.00 -0.22 0.00 0.00 54.13 53.74 1q56 s LEU 141 Cb -0.05 -0.25 -0.04 0.00 0.50 0.00 0.00 46.19 46.35 1q56 s LEU 141 CO -0.10 -0.01 -0.22 0.26 -1.32 0.00 0.00 176.35 174.97 1q56 s TRP 142 N -0.47 2.45 -0.16 5.38 0.52 -1.12 0.02 118.94 125.57 1q56 s TRP 142 Ca -0.01 -0.31 -0.05 0.00 0.02 0.00 0.00 56.10 55.74 1q56 s TRP 142 Cb -0.04 -1.35 0.07 0.00 -1.15 0.00 0.00 33.47 31.00 1q56 s TRP 142 CO -0.00 0.31 0.31 -1.17 0.02 0.00 0.00 176.95 176.42 1q56 s LEU 143 N -1.83 -0.41 0.00 2.99 0.20 0.19 -1.48 118.68 118.34 1q56 s LEU 143 Ca 0.15 0.69 0.00 0.00 0.69 0.00 0.00 54.13 55.67 1q56 s LEU 143 Cb -0.10 0.91 0.00 0.00 -0.43 0.00 0.00 46.19 46.56 1q56 s LEU 143 CO 0.07 -0.24 0.00 0.61 -0.29 0.00 0.00 176.35 176.50 1q56 n GLY 144 N 5.36 1.39 0.00 7.98 0.00 0.74 -2.65 105.19 118.02 1q56 n GLY 144 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1q56 n GLY 144 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q56 n GLY 145 N 0.00 0.46 3.31 -0.02 0.00 -1.00 -3.05 105.19 104.89 1q56 n GLY 145 Ca 0.00 -1.79 -0.10 0.00 0.00 0.00 0.00 46.02 44.13 1q56 n GLY 145 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1q56 s MET 146 N -0.99 0.42 0.24 1.61 -1.94 -1.26 -4.73 119.30 112.65 1q56 s MET 146 Ca 0.00 0.87 -0.11 0.00 -1.71 0.00 0.00 55.69 54.74 1q56 s MET 146 Cb 0.00 0.04 0.34 0.00 2.01 0.00 0.00 34.83 37.22 1q56 s MET 146 CO 0.00 -0.17 1.59 1.49 -0.01 0.00 0.00 175.02 177.92 1q56 h GLU 147 N 7.24 -0.01 -2.74 2.03 4.22 -1.90 -2.86 114.58 120.55 1q56 h GLU 147 Ca -0.34 0.00 -0.61 0.00 0.08 0.00 0.00 59.36 58.50 1q56 h GLU 147 Cb 1.18 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 30.03 1q56 h GLU 147 CO 0.26 -0.00 -0.74 2.89 -2.18 0.00 0.00 179.01 179.24 1q56 n ARG 148 N -5.53 1.24 -0.07 1.92 0.00 -1.26 -4.97 116.66 107.99 1q56 n ARG 148 Ca 0.12 -3.99 -0.00 0.00 -0.00 0.00 0.00 57.85 53.98 1q56 n ARG 148 Cb 0.41 -2.03 -0.00 0.00 -0.00 0.00 0.00 32.46 30.84 1q56 n ARG 148 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 1q56 n LEU 149 N 2.20 0.56 -0.24 2.89 7.94 -1.08 -4.14 117.00 125.13 1q56 n LEU 149 Ca 0.24 -0.40 0.25 0.00 -1.11 0.00 0.00 56.01 54.99 1q56 n LEU 149 Cb 0.41 -0.13 0.62 0.00 0.53 0.00 0.00 43.42 44.85 1q56 n LEU 149 CO 0.20 0.00 1.25 0.77 -1.11 0.00 0.00 177.39 178.50 1q56 h SER 150 N 4.24 0.21 0.00 1.96 4.64 -1.93 -3.34 113.55 119.34 1q56 h SER 150 Ca 0.01 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1q56 h SER 150 Cb 0.12 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1q56 h SER 150 CO 0.13 0.07 0.00 0.55 -0.87 0.00 0.00 176.83 176.71 1q56 n VAL 151 N -4.40 0.00 -0.87 0.95 3.14 -1.26 -4.16 118.33 111.73 1q56 n VAL 151 Ca 0.20 0.00 -0.05 0.00 -2.96 0.00 0.00 64.34 61.54 1q56 n VAL 151 Cb 0.88 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 33.64 1q56 n VAL 151 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1q56 n ALA 152 N -3.00 -0.07 -0.11 1.55 0.00 -1.25 -4.71 120.51 112.91 1q56 n ALA 152 Ca 0.00 0.08 -0.23 0.00 0.00 0.00 0.00 53.44 53.28 1q56 n ALA 152 Cb 0.00 -0.97 -0.12 0.00 0.00 0.00 0.00 19.45 18.36 1q56 n ALA 152 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1q56 n HIS 153 N -1.35 0.37 0.07 0.00 8.25 -1.26 -4.22 115.22 117.09 1q56 n HIS 153 Ca -0.05 0.12 0.01 0.00 -0.26 0.00 0.00 57.72 57.54 1q56 n HIS 153 Cb 0.31 -1.04 0.04 0.00 1.12 0.00 0.00 29.99 30.42 1q56 n HIS 153 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1q56 n LYS 154 N -3.84 0.02 -3.32 -0.41 2.85 -1.26 -4.68 118.16 107.51 1q56 n LYS 154 Ca -0.45 0.32 -0.16 0.00 -1.05 0.00 0.00 58.31 56.97 1q56 n LYS 154 Cb 0.91 -1.50 -0.03 0.00 -0.65 0.00 0.00 35.03 33.76 1q56 n LYS 154 CO 0.00 0.00 0.00 1.47 -0.05 0.00 0.00 177.40 178.82 1q56 n LEU 155 N -1.33 0.00 -4.63 -5.58 -0.00 -1.26 -5.12 117.00 99.08 1q56 n LEU 155 Ca 0.01 -1.60 -0.29 0.00 -0.00 0.00 0.00 56.01 54.13 1q56 n LEU 155 Cb 0.01 0.24 0.22 0.00 -0.00 0.00 0.00 43.42 43.89 1q56 n LEU 155 CO 0.01 -0.23 0.64 -2.16 -0.00 0.00 0.00 177.39 175.65 1q56 s PRO 156 N -2.90 -0.60 0.10 1.47 0.04 -1.26 -4.86 135.00 126.98 1q56 s PRO 156 Ca 0.02 0.12 0.05 0.00 0.04 0.00 0.00 61.00 61.23 1q56 s PRO 156 Cb 0.00 -1.65 0.30 0.00 0.04 0.00 0.00 34.50 33.19 1q56 s PRO 156 CO 0.01 -3.34 1.10 1.63 0.04 0.00 0.00 177.00 176.45 1q56 n LYS 157 N -4.53 0.04 -0.28 4.56 4.01 -1.26 -3.17 118.16 117.53 1q56 n LYS 157 Ca 0.10 0.48 0.25 0.00 -0.51 0.00 0.00 58.31 58.63 1q56 n LYS 157 Cb 0.59 -1.71 0.47 0.00 -0.51 0.00 0.00 35.03 33.87 1q56 n LYS 157 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1q56 n ALA 158 N -1.50 0.82 0.06 7.82 0.00 -1.26 0.27 120.51 126.72 1q56 n ALA 158 Ca -0.00 0.89 -0.12 0.00 0.00 0.00 0.00 53.44 54.20 1q56 n ALA 158 Cb 0.10 -0.85 -0.13 0.00 0.00 0.00 0.00 19.45 18.56 1q56 n ALA 158 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 1q56 h TYR 159 N 0.00 0.25 0.00 0.00 -1.99 -1.83 -2.02 116.97 111.38 1q56 h TYR 159 Ca 0.70 -0.18 0.00 0.00 2.00 0.00 0.00 58.73 61.25 1q56 h TYR 159 Cb 1.81 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 40.53 1q56 h TYR 159 CO -0.08 1.19 0.00 1.03 -0.00 0.00 0.00 178.16 180.30 1q56 h SER 160 N 0.04 0.00 -3.56 3.88 0.87 0.37 -3.21 113.55 111.93 1q56 h SER 160 Ca -0.16 0.00 -0.66 0.00 -1.23 0.00 0.00 61.79 59.74 1q56 h SER 160 Cb 1.93 0.00 -0.39 0.00 -0.44 0.00 0.00 62.40 63.50 1q56 h SER 160 CO 0.15 0.00 -0.40 -0.89 -0.53 0.00 0.00 176.83 175.16 1q56 s THR 161 N -3.62 3.43 1.00 2.23 2.01 0.17 -5.09 115.64 115.77 1q56 s THR 161 Ca -0.02 -3.79 -0.21 0.00 0.31 0.00 0.00 61.69 57.98 1q56 s THR 161 Cb 0.07 -3.22 -0.15 0.00 0.01 0.00 0.00 72.50 69.21 1q56 s THR 161 CO 0.23 -0.98 -1.00 0.61 -0.69 0.00 0.00 174.62 172.80 1q56 n GLY 162 N 2.50 -3.87 3.77 4.40 0.00 -1.18 -3.81 105.19 107.00 1q56 n GLY 162 Ca 0.16 -0.55 -0.39 0.00 0.00 0.00 0.00 46.02 45.24 1q56 n GLY 162 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1q56 s PHE 163 N -2.03 3.62 -0.53 1.61 5.36 -1.17 -4.55 117.98 120.30 1q56 s PHE 163 Ca 0.40 1.76 0.04 0.00 -0.96 0.00 0.00 56.93 58.16 1q56 s PHE 163 Cb -0.07 -3.10 0.14 0.00 -0.34 0.00 0.00 43.02 39.65 1q56 s PHE 163 CO 0.76 -0.18 0.31 0.42 -1.46 0.00 0.00 175.22 175.07 1q56 s ILE 164 N -1.38 2.19 0.00 3.12 1.01 -1.26 -0.50 121.20 124.38 1q56 s ILE 164 Ca 0.48 -3.29 0.00 0.00 0.00 0.00 0.00 60.65 57.84 1q56 s ILE 164 Cb -0.25 -2.50 0.00 0.00 0.01 0.00 0.00 42.46 39.71 1q56 s ILE 164 CO 0.32 -0.90 0.00 0.61 0.00 0.00 0.00 174.94 174.97 1q56 n GLY 165 N 2.95 1.80 3.12 6.18 0.00 -1.26 -2.71 105.19 115.28 1q56 n GLY 165 Ca 0.11 -0.43 -0.12 0.00 0.00 0.00 0.00 46.02 45.57 1q56 n GLY 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q56 s ILE 167 N -2.53 0.84 0.13 0.00 1.01 -1.02 0.28 121.20 119.91 1q56 s ILE 167 Ca 0.01 -1.45 -0.23 0.00 0.00 0.00 0.00 60.65 58.98 1q56 s ILE 167 Cb -0.02 -1.13 0.07 0.00 0.01 0.00 0.00 42.46 41.38 1q56 s ILE 167 CO -0.02 -0.48 0.58 -0.60 0.00 0.00 0.00 174.94 174.42 1q56 s ARG 168 N -2.37 1.22 -0.30 2.79 3.52 -0.44 -3.12 118.95 120.26 1q56 s ARG 168 Ca 0.00 -0.40 -0.15 0.00 -0.13 0.00 0.00 55.73 55.05 1q56 s ARG 168 Cb -0.05 0.56 0.02 0.00 -1.56 0.00 0.00 34.95 33.92 1q56 s ARG 168 CO 0.00 -0.51 0.34 -0.25 -0.81 0.00 0.00 175.30 174.07 1q56 n ASP 169 N -0.17 -6.89 -4.08 -2.12 9.92 -1.26 -2.28 116.55 109.66 1q56 n ASP 169 Ca -0.17 0.49 -0.26 0.00 -0.53 0.00 0.00 54.79 54.32 1q56 n ASP 169 Cb 0.64 -3.28 -0.16 0.00 -0.64 0.00 0.00 41.12 37.67 1q56 n ASP 169 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 1q56 s VAL 170 N -1.64 1.35 0.04 2.53 -7.23 -1.26 -3.59 120.40 110.59 1q56 s VAL 170 Ca 0.17 -0.62 0.02 0.00 -1.81 0.00 0.00 61.98 59.74 1q56 s VAL 170 Cb -0.03 -1.19 -0.02 0.00 0.56 0.00 0.00 36.38 35.70 1q56 s VAL 170 CO 0.60 0.40 -0.07 -0.63 -0.31 0.00 0.00 175.10 175.10 1q56 s ILE 171 N 0.42 0.44 -0.38 -0.62 1.01 0.58 -3.23 121.20 119.42 1q56 s ILE 171 Ca -0.12 -1.00 0.01 0.00 0.00 0.00 0.00 60.65 59.54 1q56 s ILE 171 Cb -0.15 -0.52 0.12 0.00 0.01 0.00 0.00 42.46 41.93 1q56 s ILE 171 CO 0.04 -0.39 0.17 -0.69 0.00 0.00 0.00 174.94 174.08 1q56 s VAL 172 N -1.34 1.08 -0.61 2.92 1.01 -1.12 -0.72 120.40 121.62 1q56 s VAL 172 Ca -0.11 -2.00 -0.03 0.00 0.00 0.00 0.00 61.98 59.84 1q56 s VAL 172 Cb -0.10 -1.78 0.00 0.00 0.00 0.00 0.00 36.38 34.51 1q56 s VAL 172 CO 0.00 -0.81 0.43 0.47 0.00 0.00 0.00 175.10 175.19 1q56 n ASP 173 N 4.14 -3.77 -0.36 3.32 8.00 -0.87 -2.48 116.55 124.53 1q56 n ASP 173 Ca 0.05 -0.20 -0.05 0.00 0.71 0.00 0.00 54.79 55.30 1q56 n ASP 173 Cb 0.38 -2.44 -0.02 0.00 -0.02 0.00 0.00 41.12 39.02 1q56 n ASP 173 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1q56 n ARG 174 N -2.35 -0.43 -3.00 -1.24 3.00 -1.26 -4.99 116.66 106.40 1q56 n ARG 174 Ca -0.01 0.60 -0.43 0.00 -0.00 0.00 0.00 57.85 58.00 1q56 n ARG 174 Cb 0.53 -4.28 -0.06 0.00 0.00 0.00 0.00 32.46 28.66 1q56 n ARG 174 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 1q56 s GLN 175 N -2.12 3.45 -0.52 -0.14 -1.52 -1.04 -5.00 119.66 112.78 1q56 s GLN 175 Ca 0.00 -0.08 -0.28 0.00 -1.95 0.00 0.00 55.36 53.05 1q56 s GLN 175 Cb 0.00 -3.91 0.01 0.00 -0.22 0.00 0.00 33.01 28.89 1q56 s GLN 175 CO 0.00 -1.03 1.44 -2.00 -0.25 0.00 0.00 175.29 173.45 1q56 s GLU 176 N 3.14 3.35 -1.02 2.91 2.12 -1.26 -2.78 118.70 125.15 1q56 s GLU 176 Ca 0.28 0.62 -0.17 0.00 0.36 0.00 0.00 54.97 56.06 1q56 s GLU 176 Cb -0.13 -4.11 0.14 0.00 0.26 0.00 0.00 34.13 30.29 1q56 s GLU 176 CO 0.21 -1.87 1.23 -0.51 -0.54 0.00 0.00 175.26 173.78 1q56 s LEU 177 N 6.04 5.02 -0.50 2.70 1.02 -1.20 -4.96 118.68 126.79 1q56 s LEU 177 Ca 0.56 -2.32 -0.30 0.00 0.02 0.00 0.00 54.13 52.09 1q56 s LEU 177 Cb -0.12 -2.40 -0.11 0.00 0.02 0.00 0.00 46.19 43.58 1q56 s LEU 177 CO 0.27 -0.98 2.37 1.41 0.02 0.00 0.00 176.35 179.45 1q56 n HIS 178 N 6.33 1.39 -0.07 0.29 8.25 -1.26 -4.79 115.22 125.35 1q56 n HIS 178 Ca 0.28 0.19 -0.12 0.00 -0.26 0.00 0.00 57.72 57.81 1q56 n HIS 178 Cb 0.47 -2.57 -0.08 0.00 1.12 0.00 0.00 29.99 28.93 1q56 n HIS 178 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1q56 h LEU 179 N 15.35 -1.47 -2.09 2.41 4.07 -1.97 0.29 115.31 131.91 1q56 h LEU 179 Ca -0.24 0.19 0.03 0.00 0.08 0.00 0.00 57.88 57.94 1q56 h LEU 179 Cb 1.29 0.59 -0.00 0.00 1.08 0.00 0.00 40.66 43.62 1q56 h LEU 179 CO 1.13 -0.35 0.32 0.58 -1.08 0.00 0.00 178.44 179.04 1q56 h VAL 180 N -0.38 0.13 0.23 1.22 2.07 -1.94 2.29 116.25 119.88 1q56 h VAL 180 Ca 0.05 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.55 1q56 h VAL 180 Cb 0.51 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1q56 h VAL 180 CO -0.44 0.00 -0.11 -0.33 0.02 0.00 0.00 177.57 176.71 1q56 h GLU 181 N 0.00 -0.30 0.00 1.57 5.08 -0.77 -3.08 114.58 117.08 1q56 h GLU 181 Ca 0.05 0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.37 1q56 h GLU 181 Cb 0.70 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 1q56 h GLU 181 CO -0.00 -0.03 -1.79 -0.25 -1.00 0.00 0.00 179.01 175.94 1q56 n ASP 182 N -5.12 1.40 -0.12 1.42 9.92 -0.80 -4.33 116.55 118.92 1q56 n ASP 182 Ca -0.09 0.00 0.03 0.00 -0.53 0.00 0.00 54.79 54.20 1q56 n ASP 182 Cb 0.22 1.51 0.34 0.00 -0.64 0.00 0.00 41.12 42.55 1q56 n ASP 182 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1q56 h ALA 183 N 1.26 1.62 -0.07 2.24 0.00 0.37 0.10 119.26 124.79 1q56 h ALA 183 Ca -0.10 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.80 1q56 h ALA 183 Cb 1.01 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 1q56 h ALA 183 CO 0.01 0.33 0.50 -0.07 0.00 0.00 0.00 179.25 180.02 1q56 h LEU 184 N 0.77 0.00 -1.88 0.00 -0.00 -1.65 0.27 115.31 112.82 1q56 h LEU 184 Ca 0.24 0.00 0.06 0.00 -0.00 0.00 0.00 57.88 58.17 1q56 h LEU 184 Cb -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.65 1q56 h LEU 184 CO -0.06 0.00 0.43 -1.13 -0.00 0.00 0.00 178.44 177.68 1q56 h ASN 185 N 0.00 0.00 -3.68 -0.43 -0.00 -1.06 -3.39 115.58 107.02 1q56 h ASN 185 Ca 0.03 0.00 -0.50 0.00 -0.00 0.00 0.00 56.30 55.83 1q56 h ASN 185 Cb 1.04 0.00 -0.03 0.00 -0.00 0.00 0.00 38.32 39.33 1q56 h ASN 185 CO -0.00 0.00 0.08 0.21 -0.00 0.00 0.00 177.43 177.72 1q56 s ASN 186 N -4.69 6.81 -0.01 1.15 2.47 0.94 -5.00 114.94 116.61 1q56 s ASN 186 Ca -0.04 1.27 -0.23 0.00 0.42 0.00 0.00 52.86 54.29 1q56 s ASN 186 Cb 0.11 -2.37 -0.19 0.00 -1.45 0.00 0.00 41.25 37.35 1q56 s ASN 186 CO 0.38 -0.15 1.19 1.55 -3.72 0.00 0.00 177.10 176.35 1q56 h PRO 187 N 2.48 0.21 -4.96 0.43 0.13 -1.88 -3.42 132.00 124.98 1q56 h PRO 187 Ca -0.48 -0.15 -0.66 0.00 -0.87 0.00 0.00 66.00 63.84 1q56 h PRO 187 Cb 1.18 0.02 -0.27 0.00 0.13 0.00 0.00 31.00 32.06 1q56 h PRO 187 CO 0.66 0.77 -0.70 0.99 -0.23 0.00 0.00 178.00 179.49 1q56 s THR 188 N -3.79 3.54 -0.12 1.56 2.01 -1.26 -5.09 115.64 112.49 1q56 s THR 188 Ca -0.15 -0.51 0.02 0.00 0.31 0.00 0.00 61.69 61.36 1q56 s THR 188 Cb 0.03 -2.66 -0.00 0.00 0.01 0.00 0.00 72.50 69.87 1q56 s THR 188 CO 0.73 0.35 -0.19 -0.63 -0.69 0.00 0.00 174.62 174.19 1q56 s ILE 189 N 1.49 2.41 0.45 1.82 1.01 -1.26 -5.12 121.20 122.00 1q56 s ILE 189 Ca 0.05 -0.88 0.08 0.00 0.00 0.00 0.00 60.65 59.90 1q56 s ILE 189 Cb -0.15 -1.97 0.01 0.00 0.01 0.00 0.00 42.46 40.36 1q56 s ILE 189 CO -0.02 0.54 0.52 -0.76 0.00 0.00 0.00 174.94 175.23 1q56 s LEU 190 N 0.52 3.40 0.00 2.97 1.43 -1.26 -5.02 118.68 120.72 1q56 s LEU 190 Ca -0.12 -0.67 0.00 0.00 -1.03 0.00 0.00 54.13 52.31 1q56 s LEU 190 Cb -0.17 -2.17 0.00 0.00 0.03 0.00 0.00 46.19 43.88 1q56 s LEU 190 CO 0.05 -0.84 0.55 1.41 0.23 0.00 0.00 176.35 177.74 1q56 n HIS 191 N -1.79 0.00 -1.06 0.29 8.25 -1.25 -3.15 115.22 116.50 1q56 n HIS 191 Ca 0.07 -0.08 0.06 0.00 -0.26 0.00 0.00 57.72 57.51 1q56 n HIS 191 Cb 0.61 -0.01 -0.03 0.00 1.12 0.00 0.00 29.99 31.68 1q56 n HIS 191 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1q56 s SER 193 N -5.45 3.91 -0.23 0.00 0.01 -1.26 -4.89 113.70 105.79 1q56 s SER 193 Ca 0.00 -0.81 -0.04 0.00 1.31 0.00 0.00 55.95 56.41 1q56 s SER 193 Cb 0.00 -0.50 0.08 0.00 0.21 0.00 0.00 66.02 65.81 1q56 s SER 193 CO 0.00 0.07 0.11 0.00 0.41 0.00 0.00 173.24 173.82 1q56 s ALA 194 N -2.09 0.52 0.00 1.44 0.00 -1.26 -5.15 121.76 115.22 1q56 s ALA 194 Ca 0.27 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.54 1q56 s ALA 194 Cb -0.07 -1.21 0.00 0.00 0.00 0.00 0.00 23.12 21.84 1q56 s ALA 194 CO 0.15 -1.40 0.00 0.36 0.00 0.00 0.00 175.76 174.86