#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q56 s SER 2 N 0.00 2.26 -0.25 1.61 0.15 -1.26 -5.00 113.70 111.21 1q56 s SER 2 Ca 0.00 -0.39 0.11 0.00 0.70 0.00 0.00 55.95 56.37 1q56 s SER 2 Cb 0.00 -1.02 0.74 0.00 -1.71 0.00 0.00 66.02 64.02 1q56 s SER 2 CO 0.00 0.04 1.68 1.21 1.20 0.00 0.00 173.24 177.37 1q56 n GLU 3 N 3.95 4.25 -0.27 5.44 2.13 -1.26 -5.05 120.64 129.82 1q56 n GLU 3 Ca -0.20 -2.88 0.04 0.00 0.66 0.00 0.00 57.16 54.77 1q56 n GLU 3 Cb 0.52 -2.19 -0.01 0.00 0.27 0.00 0.00 31.44 30.02 1q56 n GLU 3 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1q56 n LYS 4 N 0.34 -0.55 -3.74 5.31 5.02 -1.26 -4.76 118.16 118.53 1q56 n LYS 4 Ca 0.30 0.36 -0.29 0.00 -2.02 0.00 0.00 58.31 56.66 1q56 n LYS 4 Cb 1.19 -0.67 -0.15 0.00 -0.02 0.00 0.00 35.03 35.38 1q56 n LYS 4 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1q56 s VAL 5 N -0.52 0.78 0.40 -0.18 0.11 -1.26 -5.13 120.40 114.61 1q56 s VAL 5 Ca 0.00 -1.16 -0.09 0.00 -2.93 0.00 0.00 61.98 57.79 1q56 s VAL 5 Cb 0.00 -1.49 -0.06 0.00 -1.53 0.00 0.00 36.38 33.30 1q56 s VAL 5 CO 0.00 -0.54 0.74 0.27 -3.33 0.00 0.00 175.10 172.25 1q56 s ILE 6 N 1.68 4.83 -0.58 7.04 -5.25 -1.26 -5.05 121.20 122.61 1q56 s ILE 6 Ca 0.06 0.51 0.04 0.00 -0.99 0.00 0.00 60.65 60.28 1q56 s ILE 6 Cb -0.17 -3.75 0.16 0.00 2.95 0.00 0.00 42.46 41.65 1q56 s ILE 6 CO -0.21 -0.53 0.40 -0.63 -1.79 0.00 0.00 174.94 172.18 1q56 s ILE 7 N -2.37 2.07 -0.50 8.37 1.01 -1.26 -5.02 121.20 123.50 1q56 s ILE 7 Ca 0.50 -3.55 0.03 0.00 0.00 0.00 0.00 60.65 57.63 1q56 s ILE 7 Cb -0.10 -2.39 0.14 0.00 0.01 0.00 0.00 42.46 40.12 1q56 s ILE 7 CO 0.32 -1.02 0.29 -0.70 0.00 0.00 0.00 174.94 173.84 1q56 s GLU 8 N -0.72 1.59 -0.22 2.79 2.12 -1.26 -5.06 118.70 117.95 1q56 s GLU 8 Ca 0.25 -2.36 -0.01 0.00 0.36 0.00 0.00 54.97 53.21 1q56 s GLU 8 Cb -0.08 -2.66 0.06 0.00 0.26 0.00 0.00 34.13 31.71 1q56 s GLU 8 CO -0.13 -1.18 -0.00 0.15 -0.54 0.00 0.00 175.26 173.56 1q56 s LYS 9 N -0.09 1.09 -0.56 4.30 3.01 -1.26 -5.06 119.74 121.16 1q56 s LYS 9 Ca 0.20 -0.71 0.04 0.00 -1.01 0.00 0.00 55.97 54.49 1q56 s LYS 9 Cb -0.20 -2.33 0.14 0.00 -1.01 0.00 0.00 37.83 34.44 1q56 s LYS 9 CO -0.04 -0.64 0.33 0.00 0.51 0.00 0.00 175.35 175.51 1q56 s ALA 10 N 1.64 3.28 -0.37 5.17 0.00 -1.26 -4.91 121.76 125.31 1q56 s ALA 10 Ca -0.03 -3.35 0.04 0.00 0.00 0.00 0.00 51.96 48.63 1q56 s ALA 10 Cb -0.18 -2.12 0.40 0.00 0.00 0.00 0.00 23.12 21.23 1q56 s ALA 10 CO -0.08 -2.05 1.40 0.00 0.00 0.00 0.00 175.76 175.03 1q56 n ALA 11 N 2.81 3.88 -0.24 0.00 0.00 -1.26 -5.01 120.51 120.69 1q56 n ALA 11 Ca 0.10 -1.41 0.03 0.00 0.00 0.00 0.00 53.44 52.16 1q56 n ALA 11 Cb 0.34 -1.18 -0.01 0.00 0.00 0.00 0.00 19.45 18.59 1q56 n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q56 n GLY 12 N -0.13 -2.38 2.30 0.00 0.00 -1.26 -4.89 105.19 98.82 1q56 n GLY 12 Ca 0.27 -1.41 -0.20 0.00 0.00 0.00 0.00 46.02 44.67 1q56 n GLY 12 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1q56 n ASP 13 N -2.62 -0.32 -3.14 1.61 2.03 -1.26 -4.99 116.55 107.86 1q56 n ASP 13 Ca -0.01 -2.86 -0.24 0.00 0.52 0.00 0.00 54.79 52.20 1q56 n ASP 13 Cb 0.11 -0.16 -0.05 0.00 -0.72 0.00 0.00 41.12 40.30 1q56 n ASP 13 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1q56 n ALA 14 N 1.29 3.49 -0.68 -1.67 0.00 -1.26 -5.00 120.51 116.67 1q56 n ALA 14 Ca 0.19 -4.16 -0.41 0.00 0.00 0.00 0.00 53.44 49.06 1q56 n ALA 14 Cb 0.57 -0.83 -0.12 0.00 0.00 0.00 0.00 19.45 19.07 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 0.35 0.10 -3.58 0.00 0.28 -1.26 -4.87 120.64 111.66 1q56 n GLU 15 Ca 0.28 -1.14 -0.37 0.00 -0.16 0.00 0.00 57.16 55.76 1q56 n GLU 15 Cb 0.49 -2.71 -0.06 0.00 1.43 0.00 0.00 31.44 30.59 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 8.24 3.70 -0.15 -1.84 0.00 -1.26 -4.60 121.76 125.85 1q56 s ALA 16 Ca 0.70 -0.36 -0.00 0.00 0.00 0.00 0.00 51.96 52.29 1q56 s ALA 16 Cb 0.12 -2.31 0.03 0.00 0.00 0.00 0.00 23.12 20.96 1q56 s ALA 16 CO 0.32 0.39 -0.09 0.42 0.00 0.00 0.00 175.76 176.79 1q56 s ILE 17 N -0.58 1.27 0.27 0.00 -1.09 -1.04 -4.18 121.20 115.85 1q56 s ILE 17 Ca 0.20 -0.55 -0.27 0.00 -2.23 0.00 0.00 60.65 57.80 1q56 s ILE 17 Cb -0.15 -1.30 -0.09 0.00 -1.58 0.00 0.00 42.46 39.34 1q56 s ILE 17 CO 0.09 0.31 0.91 0.00 -1.23 0.00 0.00 174.94 175.02 1q56 s ALA 18 N 1.59 3.29 0.45 9.38 0.00 0.88 -2.75 121.76 134.60 1q56 s ALA 18 Ca 0.03 0.52 0.07 0.00 0.00 0.00 0.00 51.96 52.58 1q56 s ALA 18 Cb -0.14 -3.15 -0.00 0.00 0.00 0.00 0.00 23.12 19.83 1q56 s ALA 18 CO -0.09 0.21 0.42 -0.06 0.00 0.00 0.00 175.76 176.24 1q56 s PHE 19 N -1.42 2.43 0.00 0.00 0.40 0.28 -4.23 117.98 115.44 1q56 s PHE 19 Ca 0.45 -0.56 0.00 0.00 -0.60 0.00 0.00 56.93 56.22 1q56 s PHE 19 Cb -0.21 -2.14 0.00 0.00 0.51 0.00 0.00 43.02 41.17 1q56 s PHE 19 CO 0.27 -0.27 0.20 -0.40 0.70 0.00 0.00 175.22 175.72 1q56 n ASP 20 N -1.65 0.40 0.00 1.36 5.68 -1.24 -3.75 116.55 117.36 1q56 n ASP 20 Ca 0.04 -0.75 0.00 0.00 -0.50 0.00 0.00 54.79 53.57 1q56 n ASP 20 Cb 0.62 0.23 0.00 0.00 -1.14 0.00 0.00 41.12 40.83 1q56 n ASP 20 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1q56 n GLY 21 N 0.23 0.76 0.00 6.12 0.00 -0.55 -4.72 105.19 107.04 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 -0.98 2.39 -1.64 1.61 0.63 -1.26 -2.11 116.66 115.28 1q56 n ARG 22 Ca 0.00 0.00 -0.46 0.00 -0.92 0.00 0.00 57.85 56.47 1q56 n ARG 22 Cb 0.00 -0.81 -0.03 0.00 0.45 0.00 0.00 32.46 32.07 1q56 n ARG 22 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1q56 n THR 23 N -1.17 0.75 -3.91 5.15 -2.24 -1.26 -4.75 114.28 106.85 1q56 n THR 23 Ca 0.00 -0.19 -0.29 0.00 -2.27 0.00 0.00 64.05 61.31 1q56 n THR 23 Cb 0.15 -1.29 -0.16 0.00 -2.10 0.00 0.00 70.33 66.93 1q56 n THR 23 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 1q56 s TYR 24 N 0.07 1.86 -0.73 4.78 1.13 -1.26 -4.20 117.35 118.99 1q56 s TYR 24 Ca 0.72 -1.22 -0.25 0.00 -1.41 0.00 0.00 57.07 54.91 1q56 s TYR 24 Cb -0.72 -1.38 0.05 0.00 -1.10 0.00 0.00 41.96 38.81 1q56 s TYR 24 CO 0.48 -0.65 1.17 -1.64 -2.51 0.00 0.00 175.55 172.41 1q56 s MET 25 N 1.58 3.20 -1.00 -3.49 -1.94 -1.18 -4.84 119.30 111.63 1q56 s MET 25 Ca -0.00 -0.56 -0.18 0.00 -1.71 0.00 0.00 55.69 53.24 1q56 s MET 25 Cb -0.16 -4.29 0.12 0.00 2.01 0.00 0.00 34.83 32.51 1q56 s MET 25 CO -0.08 -2.02 1.25 -2.00 -0.01 0.00 0.00 175.02 172.16 1q56 s GLU 26 N 4.99 3.70 -0.70 2.03 2.12 -1.26 -2.56 118.70 127.01 1q56 s GLU 26 Ca 0.31 -1.81 -0.19 0.00 0.36 0.00 0.00 54.97 53.63 1q56 s GLU 26 Cb -0.11 -5.03 0.11 0.00 0.26 0.00 0.00 34.13 29.36 1q56 s GLU 26 CO 0.11 -1.86 0.87 0.71 -0.54 0.00 0.00 175.26 174.56 1q56 s TYR 27 N 2.90 2.99 -0.54 5.30 1.51 0.51 -4.80 117.35 125.22 1q56 s TYR 27 Ca 0.37 -1.03 -0.20 0.00 -1.01 0.00 0.00 57.07 55.20 1q56 s TYR 27 Cb -0.03 -4.14 0.06 0.00 -0.11 0.00 0.00 41.96 37.74 1q56 s TYR 27 CO -0.07 -1.41 0.73 -1.01 -1.11 0.00 0.00 175.55 172.67 1q56 s HIS 28 N 2.87 2.96 0.13 2.71 3.76 -1.26 -1.35 115.29 125.10 1q56 s HIS 28 Ca 0.19 -0.49 -0.09 0.00 -0.15 0.00 0.00 55.06 54.53 1q56 s HIS 28 Cb -0.17 -3.77 -0.00 0.00 1.11 0.00 0.00 32.58 29.74 1q56 s HIS 28 CO 0.03 -1.18 0.25 1.21 -0.85 0.00 0.00 174.74 174.19 1q56 s ASN 29 N 2.92 0.07 -0.02 1.40 3.84 -1.26 -5.04 114.94 116.85 1q56 s ASN 29 Ca 0.18 -0.77 0.04 0.00 0.21 0.00 0.00 52.86 52.52 1q56 s ASN 29 Cb -0.18 0.40 -0.00 0.00 -0.55 0.00 0.00 41.25 40.91 1q56 s ASN 29 CO 0.13 -0.82 -0.13 0.00 -2.79 0.00 0.00 177.10 173.49 1q56 s ALA 30 N -3.92 1.11 0.13 1.71 0.00 -1.24 -3.45 121.76 116.09 1q56 s ALA 30 Ca 0.12 -0.52 -0.18 0.00 0.00 0.00 0.00 51.96 51.38 1q56 s ALA 30 Cb 0.04 -0.34 -0.02 0.00 0.00 0.00 0.00 23.12 22.80 1q56 s ALA 30 CO -0.05 0.23 1.77 -0.39 0.00 0.00 0.00 175.76 177.32 1q56 h VAL 31 N 5.09 0.99 -0.89 0.00 -1.51 -1.93 -3.43 116.25 114.58 1q56 h VAL 31 Ca -0.33 -0.09 0.12 0.00 -1.23 0.00 0.00 66.70 65.17 1q56 h VAL 31 Cb 1.17 0.70 -0.21 0.00 -2.13 0.00 0.00 31.29 30.82 1q56 h VAL 31 CO 0.49 0.05 -0.17 0.42 -1.23 0.00 0.00 177.57 177.13 1q56 s THR 32 N -6.17 -0.84 -0.61 7.19 -4.23 -1.26 -5.09 115.64 104.63 1q56 s THR 32 Ca -0.13 0.00 -0.26 0.00 -1.18 0.00 0.00 61.69 60.12 1q56 s THR 32 Cb 0.10 -1.00 -0.07 0.00 1.34 0.00 0.00 72.50 72.87 1q56 s THR 32 CO 0.70 0.00 2.26 -0.54 -0.54 0.00 0.00 174.62 176.50 1q56 s LYS 33 N 2.88 2.14 0.00 3.99 1.02 -1.26 -3.62 119.74 124.88 1q56 s LYS 33 Ca 0.15 0.93 0.00 0.00 0.02 0.00 0.00 55.97 57.07 1q56 s LYS 33 Cb -0.14 -4.62 0.00 0.00 -0.52 0.00 0.00 37.83 32.55 1q56 s LYS 33 CO -0.19 -3.41 0.00 -1.13 -0.92 0.00 0.00 175.35 169.70 1q56 n SER 34 N 15.67 0.00 -0.02 2.83 3.41 -1.26 -5.04 113.62 129.21 1q56 n SER 34 Ca 0.36 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.94 1q56 n SER 34 Cb 0.51 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.46 1q56 n SER 34 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1q56 n GLU 35 N 0.00 0.13 -2.70 4.33 1.02 -1.24 -5.07 120.64 117.12 1q56 n GLU 35 Ca 0.00 0.05 -0.05 0.00 -0.02 0.00 0.00 57.16 57.14 1q56 n GLU 35 Cb 0.00 -0.70 0.01 0.00 -0.02 0.00 0.00 31.44 30.73 1q56 n GLU 35 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1q56 n LYS 36 N -3.01 -1.78 0.00 3.49 3.00 -1.26 -4.98 118.16 113.63 1q56 n LYS 36 Ca -0.03 1.74 0.00 0.00 -0.00 0.00 0.00 58.31 60.01 1q56 n LYS 36 Cb 0.13 -5.08 0.00 0.00 0.00 0.00 0.00 35.03 30.08 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 -0.70 0.00 -0.70 3.14 0.00 -1.26 -4.81 120.51 116.19 1q56 n ALA 37 Ca 0.07 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.25 1q56 n ALA 37 Cb 0.42 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.99 1q56 n ALA 37 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1q56 n LEU 38 N 0.00 -2.13 -0.00 0.00 -0.00 -1.26 -4.96 117.00 108.65 1q56 n LEU 38 Ca 0.00 -0.18 0.00 0.00 -0.00 0.00 0.00 56.01 55.83 1q56 n LEU 38 Cb 0.00 -0.75 -0.00 0.00 -0.00 0.00 0.00 43.42 42.66 1q56 n LEU 38 CO 0.00 -2.92 -0.50 1.67 -0.00 0.00 0.00 177.39 175.64 1q56 n GLN 39 N -0.67 0.24 -3.56 1.47 0.00 -1.26 -4.75 117.38 108.85 1q56 n GLN 39 Ca 0.02 -0.00 -0.16 0.00 -0.00 0.00 0.00 57.00 56.86 1q56 n GLN 39 Cb 0.52 -1.00 -0.06 0.00 0.00 0.00 0.00 30.24 29.69 1q56 n GLN 39 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1q56 s SER 40 N -2.07 -0.67 0.09 1.69 0.15 -1.26 -3.05 113.70 108.58 1q56 s SER 40 Ca -0.00 0.96 0.04 0.00 0.70 0.00 0.00 55.95 57.64 1q56 s SER 40 Cb 0.00 0.86 -0.04 0.00 -1.71 0.00 0.00 66.02 65.13 1q56 s SER 40 CO 0.00 -0.46 -0.10 0.54 1.20 0.00 0.00 173.24 174.43 1q56 s ASN 41 N -0.60 1.42 0.02 5.45 2.20 -0.94 -5.02 114.94 117.46 1q56 s ASN 41 Ca -0.06 -0.81 0.06 0.00 -0.94 0.00 0.00 52.86 51.10 1q56 s ASN 41 Cb -0.02 0.01 -0.03 0.00 -2.00 0.00 0.00 41.25 39.21 1q56 s ASN 41 CO 0.06 -0.27 -0.15 -1.00 -2.94 0.00 0.00 177.10 172.80 1q56 s HIS 42 N -2.44 2.65 -0.11 1.54 3.76 -1.26 -2.42 115.29 117.01 1q56 s HIS 42 Ca 0.05 -0.19 0.00 0.00 -0.15 0.00 0.00 55.06 54.77 1q56 s HIS 42 Cb -0.03 -1.53 0.02 0.00 1.11 0.00 0.00 32.58 32.16 1q56 s HIS 42 CO -0.00 0.26 -0.09 -0.06 -0.85 0.00 0.00 174.74 174.00 1q56 s PHE 43 N -0.90 1.53 0.06 1.40 0.40 -0.84 -1.90 117.98 117.73 1q56 s PHE 43 Ca 0.15 -0.74 0.06 0.00 -0.60 0.00 0.00 56.93 55.80 1q56 s PHE 43 Cb -0.11 -1.23 -0.03 0.00 0.51 0.00 0.00 43.02 42.17 1q56 s PHE 43 CO 0.05 -0.48 -0.17 -1.21 0.70 0.00 0.00 175.22 174.10 1q56 s GLU 44 N 1.51 1.05 0.00 0.44 2.02 0.63 -1.63 118.70 122.73 1q56 s GLU 44 Ca 0.02 -0.92 0.00 0.00 0.02 0.00 0.00 54.97 54.09 1q56 s GLU 44 Cb -0.13 -1.14 0.00 0.00 0.10 0.00 0.00 34.13 32.96 1q56 s GLU 44 CO -0.06 0.28 0.00 1.47 0.02 0.00 0.00 175.26 176.96 1q56 n LEU 45 N 1.60 0.00 -4.42 1.80 -0.00 -1.05 -0.26 117.00 114.67 1q56 n LEU 45 Ca -0.19 0.00 -0.27 0.00 -0.00 0.00 0.00 56.01 55.55 1q56 n LEU 45 Cb 0.54 0.00 -0.12 0.00 -0.00 0.00 0.00 43.42 43.84 1q56 n LEU 45 CO 0.22 0.00 -0.53 -0.44 -0.00 0.00 0.00 177.39 176.64 1q56 s SER 46 N 0.00 3.40 0.04 1.45 0.01 -0.81 -1.03 113.70 116.76 1q56 s SER 46 Ca 0.00 -0.86 -0.10 0.00 1.31 0.00 0.00 55.95 56.29 1q56 s SER 46 Cb 0.00 -0.25 0.01 0.00 0.21 0.00 0.00 66.02 65.99 1q56 s SER 46 CO 0.00 0.12 0.22 0.27 0.41 0.00 0.00 173.24 174.26 1q56 s ILE 47 N -1.66 0.10 -0.80 1.44 -4.36 -0.89 -1.68 121.20 113.35 1q56 s ILE 47 Ca 0.20 -0.86 -0.01 0.00 -0.26 0.00 0.00 60.65 59.73 1q56 s ILE 47 Cb -0.08 -0.94 0.20 0.00 1.25 0.00 0.00 42.46 42.89 1q56 s ILE 47 CO 0.10 -0.47 0.65 -0.75 0.24 0.00 0.00 174.94 174.71 1q56 s LYS 48 N -2.63 2.98 0.85 0.37 2.20 0.73 -1.92 119.74 122.32 1q56 s LYS 48 Ca -0.05 -3.12 -0.11 0.00 -0.36 0.00 0.00 55.97 52.33 1q56 s LYS 48 Cb -0.01 -3.82 0.10 0.00 -1.51 0.00 0.00 37.83 32.60 1q56 s LYS 48 CO -0.04 -1.25 1.09 0.99 -0.36 0.00 0.00 175.35 175.78 1q56 s THR 49 N -1.08 2.88 0.00 3.43 2.01 -1.26 -1.12 115.64 120.51 1q56 s THR 49 Ca 0.25 0.29 0.19 0.00 0.31 0.00 0.00 61.69 62.72 1q56 s THR 49 Cb -0.10 -2.79 0.31 0.00 0.01 0.00 0.00 72.50 69.93 1q56 s THR 49 CO -0.11 -0.37 1.12 -0.62 -0.69 0.00 0.00 174.62 173.95 1q56 n GLU 50 N -3.75 0.00 0.00 4.92 -0.58 -1.24 -2.71 120.64 117.28 1q56 n GLU 50 Ca 0.08 -1.71 0.00 0.00 -0.42 0.00 0.00 57.16 55.10 1q56 n GLU 50 Cb 0.55 0.13 0.00 0.00 -0.57 0.00 0.00 31.44 31.54 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 0.36 0.00 0.00 0.62 0.00 -1.26 -5.03 120.51 115.20 1q56 n ALA 51 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1q56 n ALA 51 Cb 1.02 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.47 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 0.00 0.00 -5.24 0.00 -2.24 -1.26 -4.73 114.28 100.81 1q56 n THR 52 Ca 0.00 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.47 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 2.28 0.00 -0.78 2.00 -1.26 -1.82 119.66 120.08 1q56 s GLN 53 Ca 0.00 -0.89 0.00 0.00 -2.00 0.00 0.00 55.36 52.47 1q56 s GLN 53 Cb 0.00 -2.12 0.00 0.00 0.80 0.00 0.00 33.01 31.69 1q56 s GLN 53 CO 0.00 0.52 0.00 0.41 -0.50 0.00 0.00 175.29 175.72 1q56 n GLY 54 N 2.56 3.56 3.73 2.59 0.00 -0.71 -4.80 105.19 112.12 1q56 n GLY 54 Ca -0.16 -0.11 -0.40 0.00 0.00 0.00 0.00 46.02 45.35 1q56 n GLY 54 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1q56 s LEU 55 N 0.00 4.37 -0.20 0.99 2.96 -0.98 0.17 118.68 125.99 1q56 s LEU 55 Ca 0.00 1.36 -0.02 0.00 -0.22 0.00 0.00 54.13 55.25 1q56 s LEU 55 Cb 0.00 -3.21 -0.21 0.00 0.50 0.00 0.00 46.19 43.27 1q56 s LEU 55 CO 0.00 -0.09 0.03 -0.38 -1.32 0.00 0.00 176.35 174.59 1q56 n ILE 56 N 3.44 1.62 -3.94 6.68 -0.00 0.83 -2.71 119.36 125.28 1q56 n ILE 56 Ca -0.01 -0.60 -0.10 0.00 -0.00 0.00 0.00 62.75 62.05 1q56 n ILE 56 Cb 0.51 -1.57 -0.11 0.00 -0.00 0.00 0.00 39.64 38.47 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 -6.78 2.04 -0.18 1.39 0.20 0.11 0.27 118.68 115.73 1q56 s LEU 57 Ca -0.30 -0.35 -0.09 0.00 0.69 0.00 0.00 54.13 54.08 1q56 s LEU 57 Cb 0.08 0.22 0.06 0.00 -0.43 0.00 0.00 46.19 46.12 1q56 s LEU 57 CO 0.67 -0.27 0.43 0.86 -0.29 0.00 0.00 176.35 177.75 1q56 s TRP 58 N -1.20 -0.65 0.11 5.38 -0.11 0.55 0.23 118.94 123.26 1q56 s TRP 58 Ca -0.13 1.35 -0.00 0.00 1.22 0.00 0.00 56.10 58.54 1q56 s TRP 58 Cb -0.08 0.29 -0.04 0.00 -1.50 0.00 0.00 33.47 32.14 1q56 s TRP 58 CO -0.00 -0.37 0.01 -1.54 -4.62 0.00 0.00 176.95 170.43 1q56 s SER 59 N 1.53 0.59 0.00 5.86 1.04 0.17 0.61 113.70 123.50 1q56 s SER 59 Ca -0.09 -1.13 0.00 0.00 0.48 0.00 0.00 55.95 55.21 1q56 s SER 59 Cb -0.09 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.26 1q56 s SER 59 CO -0.13 -0.64 0.00 0.61 0.98 0.00 0.00 173.24 174.06 1q56 n GLY 60 N -0.06 -0.75 2.65 7.32 0.00 -1.26 -3.00 105.19 110.09 1q56 n GLY 60 Ca -0.09 0.65 -0.00 0.00 0.00 0.00 0.00 46.02 46.58 1q56 n GLY 60 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1q56 n LYS 61 N 0.00 -3.43 0.00 1.61 3.00 -1.26 -3.76 118.16 114.32 1q56 n LYS 61 Ca 0.00 2.74 0.00 0.00 -0.00 0.00 0.00 58.31 61.05 1q56 n LYS 61 Cb 0.00 -5.17 0.00 0.00 0.00 0.00 0.00 35.03 29.86 1q56 n LYS 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1q56 n GLY 62 N 0.74 0.14 0.00 3.14 0.00 -1.26 -2.40 105.19 105.55 1q56 n GLY 62 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1q56 n GLY 62 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1q56 n LEU 63 N 0.00 0.00 0.00 0.99 -0.00 -1.26 -4.91 117.00 111.82 1q56 n LEU 63 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1q56 n LEU 63 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1q56 n LEU 63 CO 0.00 0.00 0.18 -0.62 -0.00 0.00 0.00 177.39 176.95 1q56 n GLU 64 N 0.00 1.13 -0.64 1.47 4.71 -1.26 -4.78 120.64 121.27 1q56 n GLU 64 Ca 0.00 -0.36 -0.03 0.00 -0.01 0.00 0.00 57.16 56.76 1q56 n GLU 64 Cb 0.00 -0.86 -0.03 0.00 -1.01 0.00 0.00 31.44 29.54 1q56 n GLU 64 CO 0.00 0.00 0.00 2.89 0.09 0.00 0.00 177.13 180.11 1q56 n ARG 65 N -0.27 0.00 -2.99 3.49 1.85 -1.26 -5.15 116.66 112.34 1q56 n ARG 65 Ca 0.00 -0.40 -0.10 0.00 -1.00 0.00 0.00 57.85 56.35 1q56 n ARG 65 Cb 0.00 0.36 -0.03 0.00 -1.05 0.00 0.00 32.46 31.74 1q56 n ARG 65 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1q56 n SER 66 N 0.00 0.63 -2.33 2.89 2.88 -1.26 -4.93 113.62 111.51 1q56 n SER 66 Ca -0.11 -1.91 -0.01 0.00 -1.33 0.00 0.00 58.87 55.51 1q56 n SER 66 Cb 0.44 0.52 0.00 0.00 -0.75 0.00 0.00 64.21 64.42 1q56 n SER 66 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1q56 n ASP 67 N -2.03 -4.42 -4.09 -3.46 2.03 -1.22 -4.81 116.55 98.56 1q56 n ASP 67 Ca -0.01 0.26 -0.34 0.00 0.52 0.00 0.00 54.79 55.23 1q56 n ASP 67 Cb 0.26 -1.06 -0.13 0.00 -0.72 0.00 0.00 41.12 39.46 1q56 n ASP 67 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 1q56 s TYR 68 N -0.68 3.59 -0.13 -0.67 1.51 -0.52 -4.72 117.35 115.72 1q56 s TYR 68 Ca 0.01 -2.56 -0.01 0.00 -1.01 0.00 0.00 57.07 53.50 1q56 s TYR 68 Cb -0.00 -2.86 -0.02 0.00 -0.11 0.00 0.00 41.96 38.97 1q56 s TYR 68 CO 0.02 -0.93 -0.10 0.42 -1.11 0.00 0.00 175.55 173.84 1q56 s ILE 69 N 1.06 3.31 0.31 2.71 1.01 -1.16 -1.00 121.20 127.45 1q56 s ILE 69 Ca 0.06 -0.57 -0.12 0.00 0.00 0.00 0.00 60.65 60.02 1q56 s ILE 69 Cb -0.21 -2.40 0.02 0.00 0.01 0.00 0.00 42.46 39.87 1q56 s ILE 69 CO -0.05 0.52 0.58 0.00 0.00 0.00 0.00 174.94 175.99 1q56 s ALA 70 N 0.26 -0.20 -0.21 9.38 0.00 -1.06 0.46 121.76 130.40 1q56 s ALA 70 Ca -0.07 -0.96 -0.04 0.00 0.00 0.00 0.00 51.96 50.89 1q56 s ALA 70 Cb -0.15 0.97 0.10 0.00 0.00 0.00 0.00 23.12 24.04 1q56 s ALA 70 CO 0.05 -0.89 0.25 -0.51 0.00 0.00 0.00 175.76 174.65 1q56 s LEU 71 N -3.08 -0.20 0.23 0.00 1.43 0.64 -2.32 118.68 115.37 1q56 s LEU 71 Ca 0.22 -0.12 0.04 0.00 -1.03 0.00 0.00 54.13 53.24 1q56 s LEU 71 Cb -0.02 0.51 -0.05 0.00 0.03 0.00 0.00 46.19 46.66 1q56 s LEU 71 CO 0.13 -0.32 -0.03 0.00 0.23 0.00 0.00 176.35 176.35 1q56 s ALA 72 N 2.37 1.87 -0.14 4.21 0.00 -0.80 0.29 121.76 129.56 1q56 s ALA 72 Ca 0.08 -1.75 -0.06 0.00 0.00 0.00 0.00 51.96 50.23 1q56 s ALA 72 Cb -0.16 0.34 -0.04 0.00 0.00 0.00 0.00 23.12 23.27 1q56 s ALA 72 CO -0.13 -0.18 0.09 0.42 0.00 0.00 0.00 175.76 175.96 1q56 s ILE 73 N -3.31 5.03 -0.03 0.00 1.01 0.44 0.01 121.20 124.36 1q56 s ILE 73 Ca 0.27 0.04 -0.01 0.00 0.00 0.00 0.00 60.65 60.95 1q56 s ILE 73 Cb 0.05 -3.21 0.03 0.00 0.01 0.00 0.00 42.46 39.34 1q56 s ILE 73 CO 0.08 0.56 0.05 0.54 0.00 0.00 0.00 174.94 176.16 1q56 s VAL 74 N -0.48 -0.05 0.00 2.92 0.11 0.54 -1.73 120.40 121.71 1q56 s VAL 74 Ca 0.11 0.18 0.00 0.00 -2.93 0.00 0.00 61.98 59.34 1q56 s VAL 74 Cb -0.12 -0.10 0.00 0.00 -1.53 0.00 0.00 36.38 34.63 1q56 s VAL 74 CO 0.02 0.07 0.00 0.47 -3.33 0.00 0.00 175.10 172.33 1q56 n ASP 75 N 4.03 -4.77 0.00 3.54 8.00 -1.24 -1.38 116.55 124.73 1q56 n ASP 75 Ca -0.25 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.25 1q56 n ASP 75 Cb 0.52 -2.82 0.00 0.00 -0.02 0.00 0.00 41.12 38.80 1q56 n ASP 75 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1q56 n GLY 76 N -0.03 1.16 3.10 0.44 0.00 -0.76 -4.98 105.19 104.12 1q56 n GLY 76 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 0.77 0.51 1.61 0.08 -0.48 -2.87 117.98 115.60 1q56 s PHE 77 Ca 0.00 -0.61 -0.00 0.00 0.12 0.00 0.00 56.93 56.44 1q56 s PHE 77 Cb 0.00 -0.45 0.01 0.00 -0.57 0.00 0.00 43.02 42.01 1q56 s PHE 77 CO 0.00 -0.09 0.74 0.08 -0.10 0.00 0.00 175.22 175.85 1q56 s VAL 78 N -1.98 3.38 -0.29 -0.44 1.01 -1.26 0.20 120.40 121.02 1q56 s VAL 78 Ca -0.03 -0.52 -0.15 0.00 0.00 0.00 0.00 61.98 61.28 1q56 s VAL 78 Cb -0.06 -3.27 0.12 0.00 0.00 0.00 0.00 36.38 33.17 1q56 s VAL 78 CO -0.01 -0.20 0.81 0.00 0.00 0.00 0.00 175.10 175.70 1q56 s GLN 79 N -4.70 0.53 -0.60 2.72 -2.07 0.10 0.49 119.66 116.12 1q56 s GLN 79 Ca 0.53 1.04 -0.24 0.00 -1.82 0.00 0.00 55.36 54.87 1q56 s GLN 79 Cb -0.10 0.32 0.05 0.00 -1.09 0.00 0.00 33.01 32.19 1q56 s GLN 79 CO 0.39 -0.13 0.97 1.41 -1.32 0.00 0.00 175.29 176.61 1q56 s MET 80 N 1.94 3.24 -0.26 9.60 -2.45 -1.17 -1.90 119.30 128.30 1q56 s MET 80 Ca -0.08 -0.47 -0.08 0.00 -1.25 0.00 0.00 55.69 53.81 1q56 s MET 80 Cb -0.06 -4.13 -0.03 0.00 1.25 0.00 0.00 34.83 31.86 1q56 s MET 80 CO -0.18 -1.66 0.10 0.00 1.05 0.00 0.00 175.02 174.34 1q56 s MET 81 N 4.12 3.66 -0.00 4.11 0.00 -0.98 -2.00 119.30 128.21 1q56 s MET 81 Ca 0.28 -0.48 -0.02 0.00 0.00 0.00 0.00 55.69 55.47 1q56 s MET 81 Cb -0.14 -3.42 -0.00 0.00 0.00 0.00 0.00 34.83 31.27 1q56 s MET 81 CO 0.16 -0.22 0.03 1.52 0.00 0.00 0.00 175.02 176.51 1q56 s TYR 82 N 1.64 0.04 -0.20 3.16 -0.85 -1.12 -2.57 117.35 117.45 1q56 s TYR 82 Ca 0.06 -0.08 -0.03 0.00 -0.52 0.00 0.00 57.07 56.50 1q56 s TYR 82 Cb -0.16 -0.05 0.07 0.00 0.38 0.00 0.00 41.96 42.21 1q56 s TYR 82 CO 0.05 -0.09 0.06 0.34 -1.52 0.00 0.00 175.55 174.39 1q56 s ASP 83 N -0.51 2.89 -0.33 -0.18 -1.08 -0.17 -0.91 116.67 116.38 1q56 s ASP 83 Ca -0.06 -0.86 0.07 0.00 -0.52 0.00 0.00 52.55 51.19 1q56 s ASP 83 Cb -0.04 -0.50 0.54 0.00 -1.46 0.00 0.00 42.92 41.46 1q56 s ASP 83 CO -0.00 -0.34 1.56 0.00 0.52 0.00 0.00 175.17 176.91 1q56 n LEU 84 N 5.11 4.72 0.02 -1.34 -0.00 -1.26 -1.44 117.00 122.80 1q56 n LEU 84 Ca -0.08 -3.80 0.00 0.00 -0.00 0.00 0.00 56.01 52.14 1q56 n LEU 84 Cb 0.47 -0.68 0.00 0.00 -0.00 0.00 0.00 43.42 43.21 1q56 n LEU 84 CO 0.11 1.26 0.00 0.61 -0.00 0.00 0.00 177.39 179.37 1q56 n GLY 85 N -1.12 -0.70 0.00 1.47 0.00 -1.26 -4.35 105.19 99.23 1q56 n GLY 85 Ca 0.39 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.51 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 -2.48 0.00 -4.12 1.61 2.88 -1.26 -5.08 113.62 105.17 1q56 n SER 86 Ca 0.00 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.21 1q56 n SER 86 Cb 0.00 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.30 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 0.00 2.85 0.37 -1.46 -0.14 -1.26 -5.07 119.74 115.03 1q56 s LYS 87 Ca 0.00 -0.93 -0.26 0.00 -1.36 0.00 0.00 55.97 53.42 1q56 s LYS 87 Cb 0.00 -2.67 -0.09 0.00 -1.68 0.00 0.00 37.83 33.39 1q56 s LYS 87 CO 0.00 -0.29 1.09 -1.25 -0.76 0.00 0.00 175.35 174.14 1q56 s PRO 88 N 1.26 4.28 -0.35 -1.68 0.04 -1.26 -4.42 135.00 132.87 1q56 s PRO 88 Ca 0.02 1.66 -0.01 0.00 0.04 0.00 0.00 61.00 62.70 1q56 s PRO 88 Cb -0.15 -2.75 0.08 0.00 0.04 0.00 0.00 34.50 31.72 1q56 s PRO 88 CO -0.11 -0.08 0.09 0.54 0.04 0.00 0.00 177.00 177.49 1q56 s VAL 89 N -1.47 3.02 -1.13 -0.36 0.11 -0.08 -4.81 120.40 115.67 1q56 s VAL 89 Ca 0.54 -1.80 -0.14 0.00 -2.93 0.00 0.00 61.98 57.65 1q56 s VAL 89 Cb -0.27 -2.94 0.18 0.00 -1.53 0.00 0.00 36.38 31.82 1q56 s VAL 89 CO 0.33 -0.42 1.32 0.54 -3.33 0.00 0.00 175.10 173.55 1q56 s VAL 90 N 1.16 5.10 -1.16 2.04 0.11 -1.26 -2.81 120.40 123.59 1q56 s VAL 90 Ca 0.03 -2.53 -0.19 0.00 -2.93 0.00 0.00 61.98 56.36 1q56 s VAL 90 Cb -0.21 -4.84 -0.04 0.00 -1.53 0.00 0.00 36.38 29.76 1q56 s VAL 90 CO -0.03 -1.53 1.96 0.18 -3.33 0.00 0.00 175.10 172.35 1q56 n LEU 91 N 5.43 4.79 -4.23 2.54 4.77 -0.85 -4.79 117.00 124.67 1q56 n LEU 91 Ca 0.32 -3.52 -0.30 0.00 -0.03 0.00 0.00 56.01 52.49 1q56 n LEU 91 Cb 0.44 -1.54 0.28 0.00 -2.33 0.00 0.00 43.42 40.27 1q56 n LEU 91 CO 0.57 -0.18 0.34 0.54 -1.33 0.00 0.00 177.39 177.33 1q56 n ARG 92 N 7.37 -4.53 -4.46 3.23 1.74 -1.26 -3.04 116.66 115.71 1q56 n ARG 92 Ca 0.49 -1.34 -0.33 0.00 -0.77 0.00 0.00 57.85 55.90 1q56 n ARG 92 Cb 0.43 -1.91 -0.10 0.00 -1.02 0.00 0.00 32.46 29.85 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 -2.94 4.76 -0.47 0.55 0.15 0.18 -4.42 113.70 111.51 1q56 s SER 93 Ca 0.65 -0.07 0.03 0.00 0.70 0.00 0.00 55.95 57.26 1q56 s SER 93 Cb -0.13 -1.17 0.64 0.00 -1.71 0.00 0.00 66.02 63.65 1q56 s SER 93 CO 0.56 0.31 1.93 0.41 1.20 0.00 0.00 173.24 177.64 1q56 n THR 94 N 1.71 3.24 -4.09 6.45 -1.04 -1.26 -4.65 114.28 114.63 1q56 n THR 94 Ca -0.16 -2.02 -0.14 0.00 -2.04 0.00 0.00 64.05 59.69 1q56 n THR 94 Cb 0.53 -0.55 -0.13 0.00 -1.82 0.00 0.00 70.33 68.36 1q56 n THR 94 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1q56 s VAL 95 N -3.45 0.46 0.24 12.58 1.01 -1.26 -5.08 120.40 124.90 1q56 s VAL 95 Ca 0.57 -0.71 -0.30 0.00 0.00 0.00 0.00 61.98 61.54 1q56 s VAL 95 Cb 0.48 -0.48 -0.10 0.00 0.00 0.00 0.00 36.38 36.28 1q56 s VAL 95 CO 0.10 -0.19 1.45 -2.16 0.00 0.00 0.00 175.10 174.30 1q56 s PRO 96 N -0.97 4.26 -0.01 2.72 0.04 -1.26 -4.71 135.00 135.06 1q56 s PRO 96 Ca -0.05 2.31 0.02 0.00 0.04 0.00 0.00 61.00 63.32 1q56 s PRO 96 Cb -0.07 -3.11 -0.04 0.00 0.04 0.00 0.00 34.50 31.32 1q56 s PRO 96 CO 0.00 -0.44 0.04 1.51 0.04 0.00 0.00 177.00 178.14 1q56 n ILE 97 N 2.51 0.08 -0.97 0.56 0.13 -1.14 -4.73 119.36 115.79 1q56 n ILE 97 Ca 0.07 -0.08 -0.23 0.00 -1.10 0.00 0.00 62.75 61.42 1q56 n ILE 97 Cb 0.40 -0.18 -0.07 0.00 -0.84 0.00 0.00 39.64 38.95 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 -1.82 6.02 -0.76 9.51 6.94 -1.26 -4.07 115.26 129.82 1q56 n ASN 98 Ca -0.02 -2.40 0.07 0.00 -0.02 0.00 0.00 54.58 52.21 1q56 n ASN 98 Cb 0.30 -1.28 0.20 0.00 -2.36 0.00 0.00 39.78 36.64 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 3.33 1.60 -1.26 5.53 -1.04 -1.26 -4.81 114.28 116.37 1q56 n THR 99 Ca 0.53 -1.41 -0.11 0.00 -2.04 0.00 0.00 64.05 61.02 1q56 n THR 99 Cb 0.42 0.15 -0.05 0.00 -1.82 0.00 0.00 70.33 69.03 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 0.04 -3.26 -4.58 8.00 2.85 -1.10 -4.91 115.26 112.30 1q56 n ASN 100 Ca 0.16 0.27 -0.24 0.00 -0.11 0.00 0.00 54.58 54.65 1q56 n ASN 100 Cb 0.64 -2.96 -0.09 0.00 1.24 0.00 0.00 39.78 38.62 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 -1.86 2.48 -0.66 1.20 3.76 -1.26 -4.89 115.29 114.06 1q56 s HIS 101 Ca 0.00 -0.39 -0.27 0.00 -0.15 0.00 0.00 55.06 54.25 1q56 s HIS 101 Cb 0.00 -1.30 0.01 0.00 1.11 0.00 0.00 32.58 32.40 1q56 s HIS 101 CO 0.00 0.58 1.44 -1.58 -0.85 0.00 0.00 174.74 174.33 1q56 s TRP 102 N -2.50 2.16 0.43 1.40 0.23 -1.26 -4.06 118.94 115.34 1q56 s TRP 102 Ca 0.33 0.29 0.02 0.00 -2.03 0.00 0.00 56.10 54.71 1q56 s TRP 102 Cb -0.02 -4.44 -0.00 0.00 0.03 0.00 0.00 33.47 29.04 1q56 s TRP 102 CO 0.18 -2.09 0.63 0.99 0.96 0.00 0.00 176.95 177.62 1q56 s THR 103 N 6.53 3.86 -0.06 2.01 2.01 -0.81 -4.84 115.64 124.34 1q56 s THR 103 Ca 0.47 -0.64 0.05 0.00 0.31 0.00 0.00 61.69 61.88 1q56 s THR 103 Cb -0.10 -3.40 -0.02 0.00 0.01 0.00 0.00 72.50 68.99 1q56 s THR 103 CO 0.19 -0.25 -0.22 -2.28 -0.69 0.00 0.00 174.62 171.38 1q56 s HIS 104 N -2.48 2.51 0.08 4.92 2.46 -1.26 -2.11 115.29 119.41 1q56 s HIS 104 Ca 0.49 -0.53 0.02 0.00 0.47 0.00 0.00 55.06 55.51 1q56 s HIS 104 Cb -0.10 -1.61 -0.03 0.00 -0.13 0.00 0.00 32.58 30.71 1q56 s HIS 104 CO 0.36 -0.09 -0.08 0.42 -2.47 0.00 0.00 174.74 172.89 1q56 s ILE 105 N -0.34 0.69 0.31 0.89 1.01 -0.20 0.22 121.20 123.78 1q56 s ILE 105 Ca 0.02 -1.60 -0.10 0.00 0.00 0.00 0.00 60.65 58.97 1q56 s ILE 105 Cb -0.12 -1.27 0.01 0.00 0.01 0.00 0.00 42.46 41.08 1q56 s ILE 105 CO 0.02 -0.65 0.55 -0.54 0.00 0.00 0.00 174.94 174.32 1q56 s LYS 106 N -2.90 1.81 -0.29 2.79 1.02 0.30 -2.52 119.74 119.95 1q56 s LYS 106 Ca 0.04 -1.44 -0.13 0.00 0.02 0.00 0.00 55.97 54.45 1q56 s LYS 106 Cb -0.01 0.50 0.12 0.00 -0.52 0.00 0.00 37.83 37.91 1q56 s LYS 106 CO -0.02 -0.78 0.71 0.00 -0.92 0.00 0.00 175.35 174.33 1q56 s ALA 107 N -3.36 -2.05 -0.41 5.17 0.00 -0.64 -1.46 121.76 119.00 1q56 s ALA 107 Ca 0.23 2.35 -0.10 0.00 0.00 0.00 0.00 51.96 54.44 1q56 s ALA 107 Cb -0.02 -1.68 0.06 0.00 0.00 0.00 0.00 23.12 21.49 1q56 s ALA 107 CO 0.13 -0.71 0.26 0.71 0.00 0.00 0.00 175.76 176.15 1q56 s TYR 108 N 2.35 3.29 -0.28 0.00 2.02 -0.84 -1.98 117.35 121.92 1q56 s TYR 108 Ca -0.07 -1.28 -0.08 0.00 -0.37 0.00 0.00 57.07 55.27 1q56 s TYR 108 Cb -0.09 -2.80 -0.02 0.00 -0.40 0.00 0.00 41.96 38.66 1q56 s TYR 108 CO -0.19 -0.78 0.10 0.50 -1.57 0.00 0.00 175.55 173.61 1q56 s ARG 109 N 1.49 3.45 -0.07 -0.62 3.00 -1.02 -0.46 118.95 124.73 1q56 s ARG 109 Ca 0.03 -0.62 0.05 0.00 -1.00 0.00 0.00 55.73 54.18 1q56 s ARG 109 Cb -0.22 -3.41 -0.01 0.00 0.00 0.00 0.00 34.95 31.31 1q56 s ARG 109 CO 0.04 -0.31 -0.22 0.08 0.00 0.00 0.00 175.30 174.89 1q56 s VAL 110 N 1.59 2.29 0.00 7.11 1.01 0.12 -2.22 120.40 130.30 1q56 s VAL 110 Ca 0.05 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.06 1q56 s VAL 110 Cb -0.16 -1.86 0.00 0.00 0.00 0.00 0.00 36.38 34.36 1q56 s VAL 110 CO 0.04 0.57 0.00 0.00 0.00 0.00 0.00 175.10 175.71 1q56 n GLN 111 N 3.02 0.00 -0.00 2.72 0.00 -1.17 0.37 117.38 122.31 1q56 n GLN 111 Ca -0.18 0.00 0.03 0.00 0.00 0.00 0.00 57.00 56.85 1q56 n GLN 111 Cb 0.52 0.00 -0.03 0.00 0.00 0.00 0.00 30.24 30.73 1q56 n GLN 111 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.06 179.95 1q56 n ARG 112 N 0.00 2.84 -3.52 2.61 0.00 -1.26 -4.85 116.66 112.48 1q56 n ARG 112 Ca 0.00 -0.02 -0.39 0.00 -0.00 0.00 0.00 57.85 57.44 1q56 n ARG 112 Cb 0.00 -0.93 -0.10 0.00 -0.00 0.00 0.00 32.46 31.43 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 -1.91 3.81 0.44 2.89 2.12 0.16 0.58 118.70 126.80 1q56 s GLU 113 Ca 0.00 -0.35 0.08 0.00 0.36 0.00 0.00 54.97 55.06 1q56 s GLU 113 Cb 0.04 -3.71 0.00 0.00 0.26 0.00 0.00 34.13 30.72 1q56 s GLU 113 CO 0.22 -0.30 0.46 0.20 -0.54 0.00 0.00 175.26 175.30 1q56 s GLY 114 N 1.73 2.08 0.10 -1.50 0.00 0.28 -0.70 107.32 109.31 1q56 s GLY 114 Ca 0.09 -1.81 -0.09 0.00 0.00 0.00 0.00 44.72 42.91 1q56 s GLY 114 CO 0.11 -1.67 0.22 -0.45 0.00 0.00 0.00 173.10 171.30 1q56 s SER 115 N -4.24 0.09 -0.10 1.64 0.15 0.39 -2.11 113.70 109.52 1q56 s SER 115 Ca 0.50 -0.67 -0.12 0.00 0.70 0.00 0.00 55.95 56.36 1q56 s SER 115 Cb -0.05 0.36 0.03 0.00 -1.71 0.00 0.00 66.02 64.65 1q56 s SER 115 CO 0.29 -0.76 0.31 -0.22 1.20 0.00 0.00 173.24 174.06 1q56 s LEU 116 N -2.88 0.81 -0.07 3.45 1.98 -0.26 -1.99 118.68 119.73 1q56 s LEU 116 Ca 0.07 0.52 -0.03 0.00 -2.89 0.00 0.00 54.13 51.80 1q56 s LEU 116 Cb 0.04 1.11 0.04 0.00 0.66 0.00 0.00 46.19 48.04 1q56 s LEU 116 CO -0.09 -0.18 0.15 -1.58 -1.89 0.00 0.00 176.35 172.77 1q56 s GLN 117 N -0.13 0.10 -0.71 1.98 0.74 -0.53 -0.03 119.66 121.08 1q56 s GLN 117 Ca -0.03 0.38 -0.21 0.00 0.05 0.00 0.00 55.36 55.55 1q56 s GLN 117 Cb -0.03 -0.16 0.09 0.00 1.10 0.00 0.00 33.01 34.01 1q56 s GLN 117 CO 0.01 -0.16 0.95 0.08 -0.55 0.00 0.00 175.29 175.63 1q56 s VAL 118 N 1.13 4.51 -0.58 1.34 1.01 -1.26 -0.54 120.40 126.01 1q56 s VAL 118 Ca -0.09 -0.75 -0.04 0.00 0.00 0.00 0.00 61.98 61.10 1q56 s VAL 118 Cb -0.11 -4.67 0.00 0.00 0.00 0.00 0.00 36.38 31.60 1q56 s VAL 118 CO -0.06 -1.41 0.50 0.61 0.00 0.00 0.00 175.10 174.74 1q56 n GLY 119 N 5.35 0.31 2.71 4.51 0.00 0.59 -2.86 105.19 115.80 1q56 n GLY 119 Ca 0.01 -0.28 -0.18 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.50 -4.81 0.00 1.61 5.15 -1.25 -4.95 115.26 110.50 1q56 n ASN 120 Ca -0.00 -0.05 0.00 0.00 -0.60 0.00 0.00 54.58 53.92 1q56 n ASN 120 Cb 0.53 -4.00 0.00 0.00 -0.53 0.00 0.00 39.78 35.78 1q56 n ASN 120 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1q56 n GLU 121 N -3.26 3.39 -1.30 1.20 1.02 -1.13 -4.91 120.64 115.64 1q56 n GLU 121 Ca -0.14 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.64 1q56 n GLU 121 Cb 0.62 0.00 -0.13 0.00 -0.02 0.00 0.00 31.44 31.91 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 0.26 -2.09 0.62 0.00 -1.26 -4.52 120.51 110.51 1q56 n ALA 122 Ca 0.00 -0.25 -0.41 0.00 0.00 0.00 0.00 53.44 52.78 1q56 n ALA 122 Cb 0.00 -1.97 -0.04 0.00 0.00 0.00 0.00 19.45 17.44 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 7.79 4.59 -0.27 0.00 0.04 -1.26 -4.50 135.00 141.39 1q56 s PRO 123 Ca 1.18 1.70 -0.09 0.00 0.04 0.00 0.00 61.00 63.83 1q56 s PRO 123 Cb -1.09 -3.29 -0.03 0.00 0.04 0.00 0.00 34.50 30.13 1q56 s PRO 123 CO 0.43 0.07 0.13 0.42 0.04 0.00 0.00 177.00 178.08 1q56 s ILE 124 N -0.16 4.74 0.44 0.56 1.09 0.96 -4.86 121.20 123.97 1q56 s ILE 124 Ca 0.50 -0.06 0.06 0.00 -1.10 0.00 0.00 60.65 60.04 1q56 s ILE 124 Cb -0.29 -3.26 -0.05 0.00 -1.06 0.00 0.00 42.46 37.80 1q56 s ILE 124 CO 0.34 0.27 0.06 0.42 -0.10 0.00 0.00 174.94 175.94 1q56 s THR 125 N 1.67 1.86 -0.29 2.92 -4.23 -1.26 -1.10 115.64 115.20 1q56 s THR 125 Ca 0.06 -1.92 -0.33 0.00 -1.18 0.00 0.00 61.69 58.33 1q56 s THR 125 Cb -0.16 -2.78 0.18 0.00 1.34 0.00 0.00 72.50 71.09 1q56 s THR 125 CO 0.07 0.00 1.39 -0.83 -0.54 0.00 0.00 174.62 174.71 1q56 s GLY 126 N -3.81 -0.01 0.10 3.99 0.00 -0.90 -4.82 107.32 101.88 1q56 s GLY 126 Ca 0.30 2.51 0.00 0.00 0.00 0.00 0.00 44.72 47.53 1q56 s GLY 126 CO 0.16 0.93 -0.01 -0.56 0.00 0.00 0.00 173.10 173.61 1q56 s SER 127 N -1.40 0.70 0.50 1.64 0.01 -1.26 0.98 113.70 114.87 1q56 s SER 127 Ca 0.11 -1.08 -0.03 0.00 1.31 0.00 0.00 55.95 56.26 1q56 s SER 127 Cb -0.01 0.19 -0.01 0.00 0.21 0.00 0.00 66.02 66.40 1q56 s SER 127 CO -0.06 -0.59 0.76 -0.44 0.41 0.00 0.00 173.24 173.32 1q56 s SER 128 N -3.02 5.85 -0.70 2.44 0.01 0.20 -4.90 113.70 113.57 1q56 s SER 128 Ca 0.15 0.55 -0.09 0.00 1.31 0.00 0.00 55.95 57.86 1q56 s SER 128 Cb 0.07 -1.74 -0.08 0.00 0.21 0.00 0.00 66.02 64.49 1q56 s SER 128 CO -0.04 -0.78 1.87 -0.81 0.41 0.00 0.00 173.24 173.89 1q56 n PRO 129 N -2.27 1.55 -2.15 12.44 -0.04 -1.26 -4.62 135.00 138.66 1q56 n PRO 129 Ca 0.02 -1.36 0.00 0.00 -0.04 0.00 0.00 63.50 62.12 1q56 n PRO 129 Cb 0.57 -2.47 0.00 0.00 -0.04 0.00 0.00 33.50 31.56 1q56 n PRO 129 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 1q56 n LEU 130 N 5.16 0.00 -1.07 1.53 -0.00 -1.26 -4.64 117.00 116.72 1q56 n LEU 130 Ca 0.38 0.00 0.12 0.00 -0.00 0.00 0.00 56.01 56.51 1q56 n LEU 130 Cb 0.17 0.00 0.16 0.00 -0.00 0.00 0.00 43.42 43.76 1q56 n LEU 130 CO 0.76 0.00 0.67 0.61 -0.00 0.00 0.00 177.39 179.43 1q56 n GLY 131 N -0.82 1.39 2.95 1.47 0.00 -1.26 -4.71 105.19 104.21 1q56 n GLY 131 Ca 0.00 -0.72 -0.01 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.73 -2.50 -1.80 4.61 0.00 -1.26 -4.91 121.76 114.16 1q56 s ALA 132 Ca 0.34 0.02 0.09 0.00 0.00 0.00 0.00 51.96 52.40 1q56 s ALA 132 Cb 0.22 -2.76 0.27 0.00 0.00 0.00 0.00 23.12 20.85 1q56 s ALA 132 CO 0.31 -2.26 1.18 2.41 0.00 0.00 0.00 175.76 177.40 1q56 n THR 133 N 3.61 0.50 -3.42 0.00 -1.04 -1.26 -4.58 114.28 108.10 1q56 n THR 133 Ca 0.14 -0.42 -0.23 0.00 -2.04 0.00 0.00 64.05 61.50 1q56 n THR 133 Cb 0.57 0.11 -0.10 0.00 -1.82 0.00 0.00 70.33 69.09 1q56 n THR 133 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 1q56 s GLN 134 N -1.62 0.53 0.25 -2.82 -0.21 -1.26 -4.88 119.66 109.65 1q56 s GLN 134 Ca 0.20 -0.93 0.05 0.00 0.02 0.00 0.00 55.36 54.70 1q56 s GLN 134 Cb 0.11 -0.97 -0.03 0.00 1.00 0.00 0.00 33.01 33.12 1q56 s GLN 134 CO 0.12 -1.17 0.34 -0.48 -2.12 0.00 0.00 175.29 171.99 1q56 s LEU 135 N 1.45 4.25 -0.20 2.90 2.34 -1.26 -5.10 118.68 123.06 1q56 s LEU 135 Ca 0.16 0.02 -0.01 0.00 0.06 0.00 0.00 54.13 54.36 1q56 s LEU 135 Cb -0.18 -2.79 0.05 0.00 -0.56 0.00 0.00 46.19 42.71 1q56 s LEU 135 CO -0.08 -0.08 -0.01 -1.81 -1.06 0.00 0.00 176.35 173.31 1q56 s ASP 136 N -3.97 3.13 0.04 1.48 1.01 -1.26 -4.56 116.67 112.54 1q56 s ASP 136 Ca 0.34 -0.87 0.02 0.00 0.71 0.00 0.00 52.55 52.75 1q56 s ASP 136 Cb -0.09 -0.84 -0.02 0.00 1.01 0.00 0.00 42.92 42.98 1q56 s ASP 136 CO 0.29 -0.25 -0.07 0.28 0.21 0.00 0.00 175.17 175.62 1q56 s THR 137 N 1.67 0.51 -0.22 -1.27 -1.32 -1.26 -4.02 115.64 109.73 1q56 s THR 137 Ca -0.02 -1.01 0.02 0.00 -1.21 0.00 0.00 61.69 59.47 1q56 s THR 137 Cb -0.17 -0.57 0.26 0.00 -1.51 0.00 0.00 72.50 70.51 1q56 s THR 137 CO -0.07 -0.35 1.32 -0.90 -2.21 0.00 0.00 174.62 172.41 1q56 n ASP 138 N 1.58 3.25 -0.57 8.08 5.75 -1.01 -4.71 116.55 128.93 1q56 n ASP 138 Ca -0.22 -2.60 -0.07 0.00 -0.01 0.00 0.00 54.79 51.89 1q56 n ASP 138 Cb 0.55 -0.63 -0.03 0.00 -1.03 0.00 0.00 41.12 39.98 1q56 n ASP 138 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1q56 n GLY 139 N -0.10 0.68 3.39 6.12 0.00 -1.26 -3.73 105.19 110.29 1q56 n GLY 139 Ca 0.22 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.95 1q56 n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q56 n ALA 140 N 1.04 -3.47 -3.57 4.61 0.00 -1.22 -4.69 120.51 113.21 1q56 n ALA 140 Ca -0.07 -1.29 -0.16 0.00 0.00 0.00 0.00 53.44 51.93 1q56 n ALA 140 Cb 0.53 -1.84 -0.06 0.00 0.00 0.00 0.00 19.45 18.08 1q56 n ALA 140 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1q56 s LEU 141 N -5.68 -0.67 -0.08 0.00 2.96 -0.46 -4.43 118.68 110.32 1q56 s LEU 141 Ca 0.65 0.97 -0.01 0.00 -0.22 0.00 0.00 54.13 55.52 1q56 s LEU 141 Cb -0.22 2.45 0.03 0.00 0.50 0.00 0.00 46.19 48.95 1q56 s LEU 141 CO 0.66 -0.44 -0.00 0.26 -1.32 0.00 0.00 176.35 175.50 1q56 s TRP 142 N -0.55 0.75 -0.09 5.38 0.52 0.20 -0.36 118.94 124.79 1q56 s TRP 142 Ca -0.06 -0.26 0.00 0.00 0.02 0.00 0.00 56.10 55.80 1q56 s TRP 142 Cb -0.02 -0.85 0.02 0.00 -1.15 0.00 0.00 33.47 31.47 1q56 s TRP 142 CO 0.06 -0.36 -0.07 -1.17 0.02 0.00 0.00 176.95 175.42 1q56 s LEU 143 N 1.95 1.21 0.00 2.99 0.20 -1.06 0.21 118.68 124.18 1q56 s LEU 143 Ca 0.05 -0.24 0.00 0.00 0.69 0.00 0.00 54.13 54.62 1q56 s LEU 143 Cb -0.13 -0.72 0.00 0.00 -0.43 0.00 0.00 46.19 44.91 1q56 s LEU 143 CO -0.06 -0.09 0.00 0.61 -0.29 0.00 0.00 176.35 176.52 1q56 n GLY 144 N 4.61 0.91 0.00 7.98 0.00 0.76 -3.10 105.19 116.35 1q56 n GLY 144 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 0.41 3.64 -0.02 0.00 -1.10 -3.13 105.19 105.00 1q56 n GLY 145 Ca 0.00 -1.21 -0.02 0.00 0.00 0.00 0.00 46.02 44.79 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 -1.86 0.33 0.15 1.61 -1.94 -1.26 -4.75 119.30 111.59 1q56 s MET 146 Ca 0.00 0.56 -0.13 0.00 -1.71 0.00 0.00 55.69 54.41 1q56 s MET 146 Cb 0.00 0.08 0.03 0.00 2.01 0.00 0.00 34.83 36.95 1q56 s MET 146 CO 0.00 -0.07 1.65 1.49 -0.01 0.00 0.00 175.02 178.08 1q56 h GLU 147 N 5.75 0.83 -2.40 2.03 4.81 -1.95 -3.16 114.58 120.50 1q56 h GLU 147 Ca -0.28 -0.22 -0.67 0.00 -0.13 0.00 0.00 59.36 58.06 1q56 h GLU 147 Cb 1.19 -0.10 -0.37 0.00 0.63 0.00 0.00 28.75 30.09 1q56 h GLU 147 CO 0.20 0.82 -0.11 2.89 -0.73 0.00 0.00 179.01 182.08 1q56 n ARG 148 N -4.42 3.38 -0.12 1.92 1.85 -1.26 -4.93 116.66 113.08 1q56 n ARG 148 Ca 0.01 -4.67 0.00 0.00 -1.00 0.00 0.00 57.85 52.19 1q56 n ARG 148 Cb 0.25 -2.34 0.00 0.00 -1.05 0.00 0.00 32.46 29.32 1q56 n ARG 148 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51 1q56 n LEU 149 N 0.76 1.53 -0.21 2.89 7.94 -1.20 -3.61 117.00 125.09 1q56 n LEU 149 Ca 0.30 -0.70 0.11 0.00 -1.11 0.00 0.00 56.01 54.61 1q56 n LEU 149 Cb 0.37 -0.31 0.54 0.00 0.53 0.00 0.00 43.42 44.55 1q56 n LEU 149 CO 0.50 0.28 0.86 -1.54 -1.11 0.00 0.00 177.39 176.38 1q56 n SER 150 N 1.62 0.64 0.09 1.96 3.41 -1.26 -3.17 113.62 116.91 1q56 n SER 150 Ca 0.00 -1.46 0.04 0.00 -0.26 0.00 0.00 58.87 57.19 1q56 n SER 150 Cb 0.16 -0.03 -0.02 0.00 -0.26 0.00 0.00 64.21 64.06 1q56 n SER 150 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 1q56 h VAL 151 N 0.87 0.45 -1.09 -3.33 3.04 -2.01 -3.33 116.25 110.85 1q56 h VAL 151 Ca 0.00 -1.76 0.32 0.00 -1.01 0.00 0.00 66.70 64.25 1q56 h VAL 151 Cb 0.19 2.02 -0.04 0.00 -2.01 0.00 0.00 31.29 31.45 1q56 h VAL 151 CO 0.00 0.25 1.15 0.00 -1.01 0.00 0.00 177.57 177.96 1q56 h ALA 152 N 1.61 3.00 0.00 3.17 0.00 -1.88 -3.44 119.26 121.72 1q56 h ALA 152 Ca -0.07 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1q56 h ALA 152 Cb 1.36 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1q56 h ALA 152 CO 0.04 -1.71 0.00 1.58 0.00 0.00 0.00 179.25 179.16 1q56 n HIS 153 N -3.41 0.00 -0.48 0.00 -0.00 -1.25 -3.74 115.22 106.34 1q56 n HIS 153 Ca 0.24 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.42 1q56 n HIS 153 Cb 1.48 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 31.35 1q56 n HIS 153 CO 0.00 0.00 0.00 0.36 0.46 0.00 0.00 176.34 177.16 1q56 n LYS 154 N 0.00 0.00 -0.67 1.57 0.00 -1.26 -5.11 118.16 112.69 1q56 n LYS 154 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 58.31 57.99 1q56 n LYS 154 Cb 0.00 -0.11 0.17 0.00 -0.00 0.00 0.00 35.03 35.09 1q56 n LYS 154 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.40 178.87 1q56 n LEU 155 N 0.00 -1.52 0.00 -5.58 -0.00 -1.24 -4.99 117.00 103.67 1q56 n LEU 155 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 56.01 56.00 1q56 n LEU 155 Cb 0.07 -1.08 0.00 0.00 -0.00 0.00 0.00 43.42 42.41 1q56 n LEU 155 CO 0.00 -3.21 0.00 -0.81 -0.00 0.00 0.00 177.39 173.37 1q56 n PRO 156 N -2.52 -0.19 0.00 1.47 -0.04 -1.26 -4.79 135.00 127.68 1q56 n PRO 156 Ca 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 1q56 n PRO 156 Cb 0.59 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.05 1q56 n PRO 156 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1q56 n LYS 157 N -0.88 0.00 -0.31 0.54 5.02 -1.26 -3.14 118.16 118.13 1q56 n LYS 157 Ca 0.00 0.40 0.19 0.00 -2.02 0.00 0.00 58.31 56.88 1q56 n LYS 157 Cb 0.00 -1.59 0.36 0.00 -0.02 0.00 0.00 35.03 33.77 1q56 n LYS 157 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1q56 n ALA 158 N -1.40 0.62 0.04 7.82 0.00 -1.26 0.24 120.51 126.56 1q56 n ALA 158 Ca 0.00 0.96 -0.02 0.00 0.00 0.00 0.00 53.44 54.38 1q56 n ALA 158 Cb 0.09 -0.79 -0.09 0.00 0.00 0.00 0.00 19.45 18.67 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 0.00 0.00 0.00 -1.99 -1.88 -2.57 116.97 110.54 1q56 h TYR 159 Ca 0.63 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.36 1q56 h TYR 159 Cb 1.44 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.17 1q56 h TYR 159 CO -0.31 0.71 0.00 0.45 -0.00 0.00 0.00 178.16 179.01 1q56 n SER 160 N -3.01 0.00 -3.86 3.88 2.88 0.66 -3.90 113.62 110.26 1q56 n SER 160 Ca -0.09 0.10 -0.29 0.00 -1.33 0.00 0.00 58.87 57.27 1q56 n SER 160 Cb 0.89 -0.33 -0.13 0.00 -0.75 0.00 0.00 64.21 63.89 1q56 n SER 160 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1q56 s THR 161 N -2.66 2.51 0.99 2.46 2.01 0.60 -5.03 115.64 116.52 1q56 s THR 161 Ca 0.17 -3.75 -0.21 0.00 0.31 0.00 0.00 61.69 58.21 1q56 s THR 161 Cb 0.13 -2.68 -0.05 0.00 0.01 0.00 0.00 72.50 69.91 1q56 s THR 161 CO 0.31 -0.95 -0.76 0.61 -0.69 0.00 0.00 174.62 173.14 1q56 n GLY 162 N 2.49 -2.62 3.84 4.40 0.00 -0.90 -3.86 105.19 108.55 1q56 n GLY 162 Ca 0.15 -0.38 -0.36 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.08 3.64 -0.47 1.61 5.36 -1.18 -4.48 117.98 120.38 1q56 s PHE 163 Ca 0.39 1.13 0.03 0.00 -0.96 0.00 0.00 56.93 57.52 1q56 s PHE 163 Cb 0.01 -2.42 0.13 0.00 -0.34 0.00 0.00 43.02 40.40 1q56 s PHE 163 CO 0.57 0.44 0.22 0.42 -1.46 0.00 0.00 175.22 175.41 1q56 s ILE 164 N -1.43 2.15 0.00 3.12 1.01 -1.26 -1.48 121.20 123.32 1q56 s ILE 164 Ca 0.37 -2.92 0.00 0.00 0.00 0.00 0.00 60.65 58.10 1q56 s ILE 164 Cb -0.16 -2.51 0.00 0.00 0.01 0.00 0.00 42.46 39.80 1q56 s ILE 164 CO 0.19 -0.80 0.00 0.61 0.00 0.00 0.00 174.94 174.94 1q56 n GLY 165 N 3.43 2.09 3.26 6.18 0.00 -1.25 -3.67 105.19 115.22 1q56 n GLY 165 Ca 0.06 -0.49 -0.26 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.78 0.68 0.06 0.00 1.01 -1.11 0.26 121.20 121.32 1q56 s ILE 167 Ca 0.08 -0.79 -0.26 0.00 0.00 0.00 0.00 60.65 59.67 1q56 s ILE 167 Cb -0.09 -0.66 0.08 0.00 0.01 0.00 0.00 42.46 41.80 1q56 s ILE 167 CO 0.02 -0.11 0.70 -0.60 0.00 0.00 0.00 174.94 174.95 1q56 s ARG 168 N -0.99 1.10 -0.96 2.79 3.52 -0.68 -3.07 118.95 120.66 1q56 s ARG 168 Ca -0.03 -0.24 -0.06 0.00 -0.13 0.00 0.00 55.73 55.27 1q56 s ARG 168 Cb -0.07 0.51 -0.04 0.00 -1.56 0.00 0.00 34.95 33.79 1q56 s ARG 168 CO 0.00 -0.45 0.82 -0.25 -0.81 0.00 0.00 175.30 174.62 1q56 n ASP 169 N -0.01 -6.70 -4.12 -2.12 8.00 -1.26 -1.93 116.55 108.40 1q56 n ASP 169 Ca -0.15 -0.58 -0.33 0.00 0.71 0.00 0.00 54.79 54.44 1q56 n ASP 169 Cb 0.62 -4.77 -0.16 0.00 -0.02 0.00 0.00 41.12 36.79 1q56 n ASP 169 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1q56 s VAL 170 N -3.27 2.15 0.08 2.53 -7.23 -1.26 -3.46 120.40 109.95 1q56 s VAL 170 Ca 0.30 -1.07 0.02 0.00 -1.81 0.00 0.00 61.98 59.42 1q56 s VAL 170 Cb -0.06 -1.99 -0.03 0.00 0.56 0.00 0.00 36.38 34.86 1q56 s VAL 170 CO 0.77 0.41 -0.07 -0.63 -0.31 0.00 0.00 175.10 175.27 1q56 s ILE 171 N 1.26 0.66 -0.16 -0.62 1.01 0.64 -2.78 121.20 121.21 1q56 s ILE 171 Ca 0.02 -1.60 -0.02 0.00 0.00 0.00 0.00 60.65 59.05 1q56 s ILE 171 Cb -0.15 -1.26 0.05 0.00 0.01 0.00 0.00 42.46 41.11 1q56 s ILE 171 CO -0.11 -0.66 0.03 0.54 0.00 0.00 0.00 174.94 174.73 1q56 s VAL 172 N -2.69 0.49 -1.47 2.92 0.11 -1.17 -0.27 120.40 118.32 1q56 s VAL 172 Ca 0.03 -0.40 -0.07 0.00 -2.93 0.00 0.00 61.98 58.61 1q56 s VAL 172 Cb -0.01 -0.92 0.02 0.00 -1.53 0.00 0.00 36.38 33.94 1q56 s VAL 172 CO -0.02 -0.09 0.87 0.47 -3.33 0.00 0.00 175.10 172.99 1q56 n ASP 173 N 5.07 -6.07 -2.29 3.54 8.00 -0.80 -1.22 116.55 122.78 1q56 n ASP 173 Ca -0.09 -0.43 -0.18 0.00 0.71 0.00 0.00 54.79 54.80 1q56 n ASP 173 Cb 0.48 -4.85 0.01 0.00 -0.02 0.00 0.00 41.12 36.74 1q56 n ASP 173 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1q56 n ARG 174 N -4.48 -2.78 -4.59 -1.24 3.00 -1.26 -5.00 116.66 100.31 1q56 n ARG 174 Ca -0.05 0.81 -0.31 0.00 -0.01 0.00 0.00 57.85 58.30 1q56 n ARG 174 Cb 0.59 -5.34 -0.08 0.00 0.00 0.00 0.00 32.46 27.64 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 -5.20 2.16 7.93 5.56 -1.52 -0.36 -5.00 119.66 123.24 1q56 s GLN 175 Ca 0.13 -2.26 0.00 0.00 -1.95 0.00 0.00 55.36 51.27 1q56 s GLN 175 Cb -0.06 -1.65 0.00 0.00 -0.22 0.00 0.00 33.01 31.09 1q56 s GLN 175 CO 0.16 -0.31 0.00 0.39 -0.25 0.00 0.00 175.29 175.28 1q56 n GLU 176 N -1.26 0.00 -0.76 2.91 -0.58 -1.26 -3.06 120.64 116.63 1q56 n GLU 176 Ca -0.13 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.61 1q56 n GLU 176 Cb 0.67 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.54 1q56 n GLU 176 CO 0.00 0.00 0.00 1.47 -0.48 0.00 0.00 177.13 178.12 1q56 n LEU 177 N 0.00 0.88 -3.08 -4.62 -0.00 -1.12 -4.80 117.00 104.26 1q56 n LEU 177 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 56.01 55.67 1q56 n LEU 177 Cb 0.00 -2.01 0.00 0.00 -0.00 0.00 0.00 43.42 41.41 1q56 n LEU 177 CO 0.00 -0.76 0.81 1.41 -0.00 0.00 0.00 177.39 178.85 1q56 n HIS 178 N -1.73 3.35 -0.15 1.47 -0.00 -1.26 -4.90 115.22 112.00 1q56 n HIS 178 Ca 0.00 -3.09 -0.04 0.00 -0.00 0.00 0.00 57.72 54.59 1q56 n HIS 178 Cb 0.32 -0.77 -0.04 0.00 -0.00 0.00 0.00 29.99 29.51 1q56 n HIS 178 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1q56 n LEU 179 N -0.28 -0.37 0.23 2.41 4.77 -1.26 0.73 117.00 123.23 1q56 n LEU 179 Ca 0.41 0.69 0.13 0.00 -0.03 0.00 0.00 56.01 57.21 1q56 n LEU 179 Cb 0.37 -0.11 0.30 0.00 -2.33 0.00 0.00 43.42 41.65 1q56 n LEU 179 CO 0.43 -0.54 0.84 0.58 -1.33 0.00 0.00 177.39 177.37 1q56 h VAL 180 N 0.00 0.05 -0.11 4.08 2.07 -1.96 -1.68 116.25 118.69 1q56 h VAL 180 Ca 0.06 -0.92 -0.01 0.00 0.82 0.00 0.00 66.70 66.65 1q56 h VAL 180 Cb 0.14 1.89 -0.00 0.00 -1.52 0.00 0.00 31.29 31.80 1q56 h VAL 180 CO -0.33 0.02 0.04 -0.33 0.02 0.00 0.00 177.57 176.99 1q56 h GLU 181 N 0.00 0.17 0.00 1.57 4.39 -0.09 -2.95 114.58 117.67 1q56 h GLU 181 Ca -0.00 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1q56 h GLU 181 Cb 0.88 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.51 1q56 h GLU 181 CO 0.00 0.29 -1.18 -0.25 -1.16 0.00 0.00 179.01 176.71 1q56 n ASP 182 N -4.90 0.78 0.06 1.42 8.00 -1.17 -4.18 116.55 116.55 1q56 n ASP 182 Ca -0.05 -0.75 -0.05 0.00 0.71 0.00 0.00 54.79 54.65 1q56 n ASP 182 Cb 0.12 1.16 0.15 0.00 -0.02 0.00 0.00 41.12 42.53 1q56 n ASP 182 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1q56 h ALA 183 N 2.79 0.94 -0.42 2.24 0.00 -1.31 -2.40 119.26 121.10 1q56 h ALA 183 Ca 0.00 -0.46 0.12 0.00 0.00 0.00 0.00 54.91 54.57 1q56 h ALA 183 Cb 0.61 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1q56 h ALA 183 CO 0.00 0.65 0.66 -0.07 0.00 0.00 0.00 179.25 180.49 1q56 h LEU 184 N 0.28 0.00 -1.90 0.00 4.07 -1.68 1.32 115.31 117.40 1q56 h LEU 184 Ca 0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.98 1q56 h LEU 184 Cb 0.94 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.68 1q56 h LEU 184 CO 0.08 0.00 0.02 -1.13 -1.08 0.00 0.00 178.44 176.33 1q56 h ASN 185 N 0.00 0.00 -3.00 -0.43 -0.73 -1.70 -3.41 115.58 106.31 1q56 h ASN 185 Ca 0.20 0.00 -0.45 0.00 1.87 0.00 0.00 56.30 57.92 1q56 h ASN 185 Cb 1.51 0.00 0.07 0.00 0.27 0.00 0.00 38.32 40.18 1q56 h ASN 185 CO -0.00 0.00 0.13 0.21 -0.37 0.00 0.00 177.43 177.40 1q56 s ASN 186 N -4.35 4.74 -0.18 1.15 2.47 0.45 -5.04 114.94 114.19 1q56 s ASN 186 Ca -0.03 0.10 -0.21 0.00 0.42 0.00 0.00 52.86 53.14 1q56 s ASN 186 Cb 0.08 -0.72 -0.22 0.00 -1.45 0.00 0.00 41.25 38.94 1q56 s ASN 186 CO 0.26 -1.59 0.36 1.55 -3.72 0.00 0.00 177.10 173.97 1q56 h PRO 187 N -0.44 0.05 -6.70 0.43 0.13 -1.84 -3.47 132.00 120.16 1q56 h PRO 187 Ca -0.42 -0.09 -0.69 0.00 -0.87 0.00 0.00 66.00 63.93 1q56 h PRO 187 Cb 1.29 0.03 -0.24 0.00 0.13 0.00 0.00 31.00 32.22 1q56 h PRO 187 CO 0.52 1.04 -0.85 0.99 -0.23 0.00 0.00 178.00 179.47 1q56 s THR 188 N -2.37 2.45 -0.05 1.56 2.01 -1.26 -5.13 115.64 112.85 1q56 s THR 188 Ca -0.25 -1.38 0.02 0.00 0.31 0.00 0.00 61.69 60.38 1q56 s THR 188 Cb 0.04 -2.02 0.02 0.00 0.01 0.00 0.00 72.50 70.55 1q56 s THR 188 CO 0.65 0.30 -0.07 -0.63 -0.69 0.00 0.00 174.62 174.17 1q56 s ILE 189 N -0.91 0.75 0.40 1.82 1.09 -1.26 -5.05 121.20 118.04 1q56 s ILE 189 Ca 0.14 -0.26 0.08 0.00 -1.10 0.00 0.00 60.65 59.50 1q56 s ILE 189 Cb -0.10 -0.73 -0.06 0.00 -1.06 0.00 0.00 42.46 40.51 1q56 s ILE 189 CO 0.04 0.27 0.11 -0.76 -0.10 0.00 0.00 174.94 174.51 1q56 s LEU 190 N 0.77 3.04 0.00 2.97 1.43 -1.26 -5.03 118.68 120.60 1q56 s LEU 190 Ca -0.12 -1.13 0.00 0.00 -1.03 0.00 0.00 54.13 51.85 1q56 s LEU 190 Cb -0.15 -1.30 0.00 0.00 0.03 0.00 0.00 46.19 44.77 1q56 s LEU 190 CO 0.02 -0.47 0.00 1.41 0.23 0.00 0.00 176.35 177.53 1q56 n HIS 191 N -1.13 0.00 -3.97 0.29 8.25 -1.26 -2.41 115.22 114.99 1q56 n HIS 191 Ca -0.02 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.47 1q56 n HIS 191 Cb 0.65 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.77 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 -3.78 2.27 -0.35 0.00 0.01 -1.26 -4.84 113.70 105.75 1q56 s SER 193 Ca 0.29 -1.39 -0.02 0.00 1.31 0.00 0.00 55.95 56.14 1q56 s SER 193 Cb 0.00 -0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.20 1q56 s SER 193 CO -0.01 -0.63 0.21 0.00 0.41 0.00 0.00 173.24 173.21 1q56 n ALA 194 N -0.67 -0.27 -0.06 1.44 0.00 -1.26 -5.18 120.51 114.51 1q56 n ALA 194 Ca -0.02 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1q56 n ALA 194 Cb 0.66 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.61 1q56 n ALA 194 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86