#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 4.25 0.16 1.61 1.04 -1.26 -5.10 113.70 114.41 1q56 s SER 2 Ca 0.00 -1.83 -0.32 0.00 0.48 0.00 0.00 55.95 54.27 1q56 s SER 2 Cb 0.00 -1.11 -0.17 0.00 0.10 0.00 0.00 66.02 64.84 1q56 s SER 2 CO 0.00 -0.40 0.97 -1.84 0.98 0.00 0.00 173.24 172.95 1q56 n GLU 3 N 4.62 0.67 -3.78 4.02 0.28 -1.26 -4.96 120.64 120.23 1q56 n GLU 3 Ca 0.00 0.24 -0.17 0.00 -0.16 0.00 0.00 57.16 57.07 1q56 n GLU 3 Cb 0.42 -1.60 -0.17 0.00 1.43 0.00 0.00 31.44 31.52 1q56 n GLU 3 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 1q56 s LYS 4 N -0.57 0.07 -0.08 3.44 1.02 -1.26 -5.14 119.74 117.21 1q56 s LYS 4 Ca 0.73 0.21 -0.03 0.00 0.02 0.00 0.00 55.97 56.90 1q56 s LYS 4 Cb -0.94 -0.42 -0.04 0.00 -0.52 0.00 0.00 37.83 35.92 1q56 s LYS 4 CO 0.55 -0.21 0.04 0.08 -0.92 0.00 0.00 175.35 174.89 1q56 s VAL 5 N 1.42 4.61 0.38 3.17 1.01 -1.26 -5.08 120.40 124.65 1q56 s VAL 5 Ca -0.05 -0.18 -0.26 0.00 0.00 0.00 0.00 61.98 61.49 1q56 s VAL 5 Cb -0.13 -2.98 -0.09 0.00 0.00 0.00 0.00 36.38 33.18 1q56 s VAL 5 CO -0.03 0.57 1.19 -0.63 0.00 0.00 0.00 175.10 176.20 1q56 s ILE 6 N -0.96 3.10 -0.80 2.22 1.09 -1.26 -4.98 121.20 119.60 1q56 s ILE 6 Ca 0.15 0.97 -0.02 0.00 -1.10 0.00 0.00 60.65 60.64 1q56 s ILE 6 Cb -0.12 -3.56 0.20 0.00 -1.06 0.00 0.00 42.46 37.92 1q56 s ILE 6 CO 0.04 0.13 0.67 -0.63 -0.10 0.00 0.00 174.94 175.05 1q56 s ILE 7 N -1.34 4.17 -0.44 2.92 1.01 -1.26 -5.03 121.20 121.22 1q56 s ILE 7 Ca 0.55 -3.55 -0.19 0.00 0.00 0.00 0.00 60.65 57.46 1q56 s ILE 7 Cb -0.32 -3.63 0.03 0.00 0.01 0.00 0.00 42.46 38.55 1q56 s ILE 7 CO 0.41 -1.02 0.53 -0.70 0.00 0.00 0.00 174.94 174.17 1q56 s GLU 8 N -0.91 3.16 0.13 2.79 2.12 -1.26 -5.03 118.70 119.70 1q56 s GLU 8 Ca 0.24 -0.65 -0.31 0.00 0.36 0.00 0.00 54.97 54.61 1q56 s GLU 8 Cb -0.11 -3.98 -0.09 0.00 0.26 0.00 0.00 34.13 30.21 1q56 s GLU 8 CO -0.10 -0.96 1.52 0.21 -0.54 0.00 0.00 175.26 175.39 1q56 s LYS 9 N 2.43 4.25 -0.18 4.30 2.20 -1.26 -4.98 119.74 126.51 1q56 s LYS 9 Ca 0.16 2.25 -0.17 0.00 -0.36 0.00 0.00 55.97 57.85 1q56 s LYS 9 Cb -0.16 -3.26 -0.04 0.00 -1.51 0.00 0.00 37.83 32.85 1q56 s LYS 9 CO 0.15 -0.57 0.46 0.00 -0.36 0.00 0.00 175.35 175.03 1q56 s ALA 10 N 1.39 3.53 -1.05 3.13 0.00 -1.26 -4.97 121.76 122.54 1q56 s ALA 10 Ca 0.69 -0.39 -0.18 0.00 0.00 0.00 0.00 51.96 52.08 1q56 s ALA 10 Cb -0.40 -2.69 -0.08 0.00 0.00 0.00 0.00 23.12 19.95 1q56 s ALA 10 CO 0.31 -0.25 2.08 0.00 0.00 0.00 0.00 175.76 177.90 1q56 n ALA 11 N 4.32 4.32 -2.59 0.00 0.00 -1.26 -4.89 120.51 120.40 1q56 n ALA 11 Ca -0.07 -3.44 -0.43 0.00 0.00 0.00 0.00 53.44 49.50 1q56 n ALA 11 Cb 0.51 -3.56 -0.03 0.00 0.00 0.00 0.00 19.45 16.37 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 4.18 1.45 -0.41 0.00 0.00 -1.26 -4.93 107.32 106.35 1q56 s GLY 12 Ca 0.53 -0.58 0.08 0.00 0.00 0.00 0.00 44.72 44.76 1q56 s GLY 12 CO 0.03 2.15 0.58 2.09 0.00 0.00 0.00 173.10 177.95 1q56 n ASP 13 N 7.25 0.64 -1.50 1.64 5.75 -1.26 -4.90 116.55 124.16 1q56 n ASP 13 Ca 0.08 -2.82 0.08 0.00 -0.01 0.00 0.00 54.79 52.13 1q56 n ASP 13 Cb 0.48 -0.64 0.34 0.00 -1.03 0.00 0.00 41.12 40.28 1q56 n ASP 13 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1q56 n ALA 14 N 1.17 3.30 -1.52 2.12 0.00 -1.26 -4.94 120.51 119.39 1q56 n ALA 14 Ca 0.22 -1.83 -0.20 0.00 0.00 0.00 0.00 53.44 51.63 1q56 n ALA 14 Cb 0.54 -0.95 -0.18 0.00 0.00 0.00 0.00 19.45 18.85 1q56 n ALA 14 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1q56 n GLU 15 N 0.58 0.17 -4.20 0.00 2.13 -1.26 -4.85 120.64 113.21 1q56 n GLU 15 Ca 0.25 -0.26 -0.23 0.00 0.66 0.00 0.00 57.16 57.59 1q56 n GLU 15 Cb 0.98 -1.83 -0.06 0.00 0.27 0.00 0.00 31.44 30.79 1q56 n GLU 15 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1q56 s ALA 16 N 4.68 3.36 -0.10 4.31 0.00 -1.26 -4.72 121.76 128.03 1q56 s ALA 16 Ca 1.20 -1.61 0.01 0.00 0.00 0.00 0.00 51.96 51.57 1q56 s ALA 16 Cb -0.64 -0.94 0.02 0.00 0.00 0.00 0.00 23.12 21.56 1q56 s ALA 16 CO 0.42 0.22 -0.13 0.42 0.00 0.00 0.00 175.76 176.69 1q56 s ILE 17 N -2.28 1.28 -0.01 0.00 -1.09 -1.12 -3.41 121.20 114.57 1q56 s ILE 17 Ca 0.33 -0.51 -0.16 0.00 -2.23 0.00 0.00 60.65 58.08 1q56 s ILE 17 Cb -0.06 -1.20 -0.06 0.00 -1.58 0.00 0.00 42.46 39.57 1q56 s ILE 17 CO 0.22 0.40 0.44 0.00 -1.23 0.00 0.00 174.94 174.77 1q56 s ALA 18 N 1.04 3.65 0.40 9.38 0.00 -1.18 -2.20 121.76 132.85 1q56 s ALA 18 Ca -0.07 -0.18 0.08 0.00 0.00 0.00 0.00 51.96 51.79 1q56 s ALA 18 Cb -0.15 -2.46 0.00 0.00 0.00 0.00 0.00 23.12 20.52 1q56 s ALA 18 CO -0.01 0.40 0.51 -0.06 0.00 0.00 0.00 175.76 176.60 1q56 s PHE 19 N -0.84 2.85 0.00 0.00 0.40 0.24 -4.77 117.98 115.85 1q56 s PHE 19 Ca 0.25 -0.38 0.00 0.00 -0.60 0.00 0.00 56.93 56.19 1q56 s PHE 19 Cb -0.17 -2.27 0.00 0.00 0.51 0.00 0.00 43.02 41.10 1q56 s PHE 19 CO 0.14 -0.29 0.07 -0.40 0.70 0.00 0.00 175.22 175.44 1q56 n ASP 20 N -1.75 0.14 0.00 1.36 5.68 -1.25 -4.14 116.55 116.59 1q56 n ASP 20 Ca 0.06 -0.46 0.00 0.00 -0.50 0.00 0.00 54.79 53.89 1q56 n ASP 20 Cb 0.59 0.42 0.00 0.00 -1.14 0.00 0.00 41.12 41.00 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 0.42 0.69 0.00 6.12 0.00 0.20 -4.82 105.19 107.80 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 -1.20 3.45 -2.19 1.61 0.63 -1.26 -3.10 116.66 114.60 1q56 n ARG 22 Ca 0.00 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.51 1q56 n ARG 22 Cb 0.00 -0.43 -0.03 0.00 0.45 0.00 0.00 32.46 32.45 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 -0.71 3.35 -0.22 5.15 2.01 -1.26 -4.91 115.64 119.05 1q56 s THR 23 Ca 0.00 0.98 -0.01 0.00 0.31 0.00 0.00 61.69 62.97 1q56 s THR 23 Cb 0.00 -3.63 0.02 0.00 0.01 0.00 0.00 72.50 68.90 1q56 s THR 23 CO 0.00 0.08 -0.11 -0.72 -0.69 0.00 0.00 174.62 173.19 1q56 s TYR 24 N 0.99 2.94 -0.60 4.92 1.13 -1.26 -4.39 117.35 121.09 1q56 s TYR 24 Ca 0.63 -1.44 -0.21 0.00 -1.41 0.00 0.00 57.07 54.65 1q56 s TYR 24 Cb -0.36 -2.02 0.08 0.00 -1.10 0.00 0.00 41.96 38.56 1q56 s TYR 24 CO 0.31 -0.71 0.81 -1.64 -2.51 0.00 0.00 175.55 171.81 1q56 s MET 25 N 1.35 3.10 -0.82 -3.49 -1.94 -1.16 -4.65 119.30 111.68 1q56 s MET 25 Ca 0.03 -0.99 -0.26 0.00 -1.71 0.00 0.00 55.69 52.76 1q56 s MET 25 Cb -0.15 -4.21 0.04 0.00 2.01 0.00 0.00 34.83 32.52 1q56 s MET 25 CO -0.07 -1.59 1.33 -2.00 -0.01 0.00 0.00 175.02 172.68 1q56 s GLU 26 N 3.29 3.31 -0.66 2.03 2.56 -1.26 -2.23 118.70 125.73 1q56 s GLU 26 Ca 0.17 -0.50 -0.18 0.00 0.00 0.00 0.00 54.97 54.46 1q56 s GLU 26 Cb -0.20 -4.53 0.12 0.00 2.00 0.00 0.00 34.13 31.53 1q56 s GLU 26 CO 0.10 -2.17 0.74 0.71 -0.56 0.00 0.00 175.26 174.08 1q56 s TYR 27 N 5.52 3.14 -0.24 5.30 2.02 0.16 -4.76 117.35 128.48 1q56 s TYR 27 Ca 0.38 -1.18 -0.13 0.00 -0.37 0.00 0.00 57.07 55.78 1q56 s TYR 27 Cb -0.06 -4.00 -0.05 0.00 -0.40 0.00 0.00 41.96 37.46 1q56 s TYR 27 CO 0.08 -1.25 0.26 -1.58 -1.57 0.00 0.00 175.55 171.48 1q56 s HIS 28 N 2.24 3.31 0.11 2.71 2.46 -1.26 -1.10 115.29 123.76 1q56 s HIS 28 Ca 0.14 0.35 0.03 0.00 0.47 0.00 0.00 55.06 56.05 1q56 s HIS 28 Cb -0.21 -2.40 -0.04 0.00 -0.13 0.00 0.00 32.58 29.81 1q56 s HIS 28 CO 0.02 -0.03 -0.09 0.54 -2.47 0.00 0.00 174.74 172.71 1q56 s ASN 29 N 1.23 1.46 -0.46 9.88 4.22 -1.25 -5.01 114.94 125.01 1q56 s ASN 29 Ca 0.12 -0.90 -0.10 0.00 -2.14 0.00 0.00 52.86 49.84 1q56 s ASN 29 Cb -0.14 0.02 0.11 0.00 1.28 0.00 0.00 41.25 42.51 1q56 s ASN 29 CO 0.07 -0.32 0.33 0.00 -2.04 0.00 0.00 177.10 175.14 1q56 s ALA 30 N -2.88 3.39 0.00 3.54 0.00 -1.26 -4.70 121.76 119.84 1q56 s ALA 30 Ca 0.09 -2.39 0.00 0.00 0.00 0.00 0.00 51.96 49.66 1q56 s ALA 30 Cb 0.00 -2.82 0.00 0.00 0.00 0.00 0.00 23.12 20.30 1q56 s ALA 30 CO -0.01 -1.82 0.00 0.28 0.00 0.00 0.00 175.76 174.21 1q56 n VAL 31 N 4.95 0.00 -4.37 0.00 0.31 -1.26 -5.02 118.33 112.94 1q56 n VAL 31 Ca -0.09 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.03 1q56 n VAL 31 Cb 0.41 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.24 1q56 n VAL 31 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1q56 s THR 32 N 0.00 1.90 -1.08 2.52 -1.32 -1.26 -5.07 115.64 111.33 1q56 s THR 32 Ca 0.00 -2.17 -0.12 0.00 -1.21 0.00 0.00 61.69 58.19 1q56 s THR 32 Cb 0.00 -2.04 0.23 0.00 -1.51 0.00 0.00 72.50 69.18 1q56 s THR 32 CO 0.00 -0.48 1.15 -1.59 -2.21 0.00 0.00 174.62 171.49 1q56 s LYS 33 N -3.38 4.04 0.00 7.08 -2.85 -1.26 -4.15 119.74 119.22 1q56 s LYS 33 Ca 0.22 -2.84 0.00 0.00 -1.00 0.00 0.00 55.97 52.35 1q56 s LYS 33 Cb -0.03 -4.70 0.00 0.00 -2.06 0.00 0.00 37.83 31.04 1q56 s LYS 33 CO 0.08 -1.43 0.00 0.43 0.10 0.00 0.00 175.35 174.54 1q56 n SER 34 N 3.94 0.00 -1.18 0.03 7.64 -1.26 -4.94 113.62 117.85 1q56 n SER 34 Ca 0.26 0.00 0.08 0.00 1.01 0.00 0.00 58.87 60.21 1q56 n SER 34 Cb 0.42 0.00 0.26 0.00 -1.01 0.00 0.00 64.21 63.88 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 0.00 2.80 -1.42 1.43 2.13 -1.26 -4.98 120.64 119.34 1q56 n GLU 35 Ca 0.00 -2.09 -0.47 0.00 0.66 0.00 0.00 57.16 55.27 1q56 n GLU 35 Cb 0.00 -1.64 -0.02 0.00 0.27 0.00 0.00 31.44 30.05 1q56 n GLU 35 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 1q56 n LYS 36 N 0.89 0.21 -3.27 5.31 2.85 -1.26 -2.10 118.16 120.79 1q56 n LYS 36 Ca 0.19 0.07 -0.15 0.00 -1.05 0.00 0.00 58.31 57.37 1q56 n LYS 36 Cb 0.62 -1.14 0.08 0.00 -0.65 0.00 0.00 35.03 33.94 1q56 n LYS 36 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1q56 n ALA 37 N -0.12 -1.99 -0.73 0.58 0.00 -1.26 -4.95 120.51 112.03 1q56 n ALA 37 Ca 0.16 -0.01 -0.30 0.00 0.00 0.00 0.00 53.44 53.29 1q56 n ALA 37 Cb 0.28 -3.10 0.18 0.00 0.00 0.00 0.00 19.45 16.81 1q56 n ALA 37 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1q56 s LEU 38 N -5.82 2.34 0.00 0.00 2.34 -0.89 -4.83 118.68 111.82 1q56 s LEU 38 Ca 0.11 1.96 0.25 0.00 0.06 0.00 0.00 54.13 56.51 1q56 s LEU 38 Cb -0.01 -4.25 0.46 0.00 -0.56 0.00 0.00 46.19 41.82 1q56 s LEU 38 CO 0.68 -3.27 1.39 1.67 -1.06 0.00 0.00 176.35 175.76 1q56 n GLN 39 N -4.33 1.23 -3.53 1.48 7.27 -1.26 -4.69 117.38 113.55 1q56 n GLN 39 Ca 0.09 -0.88 -0.10 0.00 0.07 0.00 0.00 57.00 56.18 1q56 n GLN 39 Cb 0.53 -1.48 -0.04 0.00 2.41 0.00 0.00 30.24 31.66 1q56 n GLN 39 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 1q56 s SER 40 N -2.38 -0.39 0.07 1.69 1.04 -1.26 -2.77 113.70 109.71 1q56 s SER 40 Ca 0.24 0.22 0.06 0.00 0.48 0.00 0.00 55.95 56.96 1q56 s SER 40 Cb 0.19 0.36 -0.03 0.00 0.10 0.00 0.00 66.02 66.64 1q56 s SER 40 CO 0.49 -0.51 -0.17 0.20 0.98 0.00 0.00 173.24 174.24 1q56 s ASN 41 N -1.82 2.03 -0.15 7.02 0.01 -1.09 -4.96 114.94 115.97 1q56 s ASN 41 Ca 0.01 -0.60 -0.01 0.00 -0.71 0.00 0.00 52.86 51.55 1q56 s ASN 41 Cb -0.01 -0.10 -0.01 0.00 0.41 0.00 0.00 41.25 41.54 1q56 s ASN 41 CO -0.03 0.01 -0.12 -1.00 -1.51 0.00 0.00 177.10 174.45 1q56 s HIS 42 N -1.11 2.83 -0.16 2.20 3.76 -1.26 -2.93 115.29 118.63 1q56 s HIS 42 Ca 0.02 -0.84 0.02 0.00 -0.15 0.00 0.00 55.06 54.11 1q56 s HIS 42 Cb -0.09 -1.91 0.02 0.00 1.11 0.00 0.00 32.58 31.70 1q56 s HIS 42 CO 0.03 -0.36 -0.21 -0.06 -0.85 0.00 0.00 174.74 173.29 1q56 s PHE 43 N 0.71 2.70 -0.04 1.40 0.08 -0.79 -2.24 117.98 119.81 1q56 s PHE 43 Ca -0.06 -1.48 0.04 0.00 0.12 0.00 0.00 56.93 55.54 1q56 s PHE 43 Cb -0.15 -1.85 0.00 0.00 -0.57 0.00 0.00 43.02 40.44 1q56 s PHE 43 CO 0.02 -0.71 -0.14 -1.21 -0.10 0.00 0.00 175.22 173.08 1q56 s GLU 44 N 1.06 1.50 -0.21 0.44 2.02 0.37 -1.41 118.70 122.48 1q56 s GLU 44 Ca -0.01 -0.49 -0.33 0.00 0.02 0.00 0.00 54.97 54.16 1q56 s GLU 44 Cb -0.14 -1.32 0.15 0.00 0.10 0.00 0.00 34.13 32.91 1q56 s GLU 44 CO -0.08 0.18 1.21 -0.48 0.02 0.00 0.00 175.26 176.12 1q56 s LEU 45 N 0.15 -0.14 0.21 1.80 2.34 -0.80 0.32 118.68 122.55 1q56 s LEU 45 Ca -0.05 0.06 0.11 0.00 0.06 0.00 0.00 54.13 54.32 1q56 s LEU 45 Cb -0.11 1.38 -0.05 0.00 -0.56 0.00 0.00 46.19 46.86 1q56 s LEU 45 CO 0.02 -0.20 -0.23 -0.44 -1.06 0.00 0.00 176.35 174.44 1q56 s SER 46 N -1.79 3.51 0.22 1.48 0.01 -0.88 -0.57 113.70 115.67 1q56 s SER 46 Ca 0.08 -0.88 -0.07 0.00 1.31 0.00 0.00 55.95 56.39 1q56 s SER 46 Cb -0.01 -0.29 -0.02 0.00 0.21 0.00 0.00 66.02 65.91 1q56 s SER 46 CO -0.05 0.11 0.31 0.27 0.41 0.00 0.00 173.24 174.29 1q56 s ILE 47 N -1.81 0.01 -0.41 1.44 -4.36 -1.11 -1.66 121.20 113.29 1q56 s ILE 47 Ca 0.22 -1.66 0.02 0.00 -0.26 0.00 0.00 60.65 58.97 1q56 s ILE 47 Cb -0.07 -2.30 0.13 0.00 1.25 0.00 0.00 42.46 41.46 1q56 s ILE 47 CO 0.11 -0.03 0.20 -0.75 0.24 0.00 0.00 174.94 174.71 1q56 s LYS 48 N -4.08 1.22 0.67 0.37 2.20 0.68 -1.84 119.74 118.96 1q56 s LYS 48 Ca 0.29 -1.84 -0.13 0.00 -0.36 0.00 0.00 55.97 53.93 1q56 s LYS 48 Cb 0.03 -2.38 0.00 0.00 -1.51 0.00 0.00 37.83 33.97 1q56 s LYS 48 CO 0.10 -1.11 1.07 0.95 -0.36 0.00 0.00 175.35 176.00 1q56 s THR 49 N 0.61 3.74 0.00 3.43 -4.23 -1.25 -1.36 115.64 116.58 1q56 s THR 49 Ca 0.16 0.68 0.00 0.00 -1.18 0.00 0.00 61.69 61.34 1q56 s THR 49 Cb -0.23 -3.27 0.00 0.00 1.34 0.00 0.00 72.50 70.34 1q56 s THR 49 CO -0.05 -0.63 0.41 -0.62 -0.54 0.00 0.00 174.62 173.19 1q56 n GLU 50 N -2.74 0.00 0.00 3.99 -0.58 -0.96 -2.50 120.64 117.85 1q56 n GLU 50 Ca 0.09 -0.35 0.00 0.00 -0.42 0.00 0.00 57.16 56.47 1q56 n GLU 50 Cb 0.53 -0.28 0.00 0.00 -0.57 0.00 0.00 31.44 31.12 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 0.00 0.83 -0.63 0.62 0.00 -1.26 -4.99 120.51 115.08 1q56 n ALA 51 Ca 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 53.44 53.24 1q56 n ALA 51 Cb 0.53 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.97 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 -3.65 0.00 -2.24 -1.26 -4.83 114.28 102.31 1q56 n THR 52 Ca 0.00 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.65 1q56 n THR 52 Cb 0.46 -0.61 -0.07 0.00 -2.10 0.00 0.00 70.33 68.01 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 -1.29 0.76 0.00 -0.78 0.74 -1.26 -0.09 119.66 117.74 1q56 s GLN 53 Ca 0.00 0.99 0.00 0.00 0.05 0.00 0.00 55.36 56.40 1q56 s GLN 53 Cb 0.00 0.33 0.00 0.00 1.10 0.00 0.00 33.01 34.44 1q56 s GLN 53 CO 0.00 -0.11 0.00 0.41 -0.55 0.00 0.00 175.29 175.04 1q56 n GLY 54 N 3.05 4.52 3.69 2.59 0.00 -0.58 -4.70 105.19 113.76 1q56 n GLY 54 Ca -0.15 -0.63 -0.40 0.00 0.00 0.00 0.00 46.02 44.84 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 4.22 -0.10 0.99 0.05 -0.72 0.20 118.68 123.32 1q56 s LEU 55 Ca 0.00 1.05 0.09 0.00 0.05 0.00 0.00 54.13 55.33 1q56 s LEU 55 Cb 0.00 -3.04 -0.24 0.00 -2.05 0.00 0.00 46.19 40.86 1q56 s LEU 55 CO 0.00 -0.24 0.45 -0.38 -0.55 0.00 0.00 176.35 175.63 1q56 n ILE 56 N 4.32 1.60 -3.87 1.48 -0.00 0.86 -2.56 119.36 121.18 1q56 n ILE 56 Ca -0.00 -0.77 -0.11 0.00 -0.00 0.00 0.00 62.75 61.87 1q56 n ILE 56 Cb 0.50 -1.10 -0.10 0.00 -0.00 0.00 0.00 39.64 38.94 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 -6.20 1.60 -0.27 1.39 0.20 0.17 0.28 118.68 115.85 1q56 s LEU 57 Ca -0.11 -0.15 -0.03 0.00 0.69 0.00 0.00 54.13 54.54 1q56 s LEU 57 Cb 0.07 0.59 0.16 0.00 -0.43 0.00 0.00 46.19 46.58 1q56 s LEU 57 CO 0.80 -0.31 0.51 0.86 -0.29 0.00 0.00 176.35 177.93 1q56 s TRP 58 N -1.13 -1.24 -0.14 5.38 -0.11 0.51 0.21 118.94 122.42 1q56 s TRP 58 Ca -0.12 1.45 -0.00 0.00 1.22 0.00 0.00 56.10 58.65 1q56 s TRP 58 Cb -0.07 0.38 -0.01 0.00 -1.50 0.00 0.00 33.47 32.27 1q56 s TRP 58 CO 0.01 -0.77 -0.14 -1.12 -4.62 0.00 0.00 176.95 170.32 1q56 s SER 59 N 2.73 3.90 -0.35 5.86 0.01 0.27 -2.04 113.70 124.08 1q56 s SER 59 Ca 0.14 -0.37 0.03 0.00 1.31 0.00 0.00 55.95 57.05 1q56 s SER 59 Cb -0.15 -1.60 0.10 0.00 0.21 0.00 0.00 66.02 64.59 1q56 s SER 59 CO -0.18 0.14 0.09 -0.83 0.41 0.00 0.00 173.24 172.86 1q56 s GLY 60 N 0.51 1.79 0.17 3.44 0.00 -1.26 -3.10 107.32 108.86 1q56 s GLY 60 Ca -0.09 -2.42 -0.26 0.00 0.00 0.00 0.00 44.72 41.94 1q56 s GLY 60 CO 0.04 1.12 1.56 1.70 0.00 0.00 0.00 173.10 177.51 1q56 h LYS 61 N 7.58 -0.15 0.00 2.90 1.63 -1.79 -3.43 116.57 123.31 1q56 h LYS 61 Ca -0.06 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.75 1q56 h LYS 61 Cb 1.00 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.67 1q56 h LYS 61 CO 0.52 -0.10 0.00 0.41 -3.45 0.00 0.00 179.45 176.83 1q56 n GLY 62 N -1.38 -0.91 1.86 5.01 0.00 -1.26 -4.59 105.19 103.92 1q56 n GLY 62 Ca 0.03 0.52 -0.22 0.00 0.00 0.00 0.00 46.02 46.35 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 0.00 -2.47 -1.72 0.99 7.99 -1.26 -4.67 117.00 115.85 1q56 n LEU 63 Ca 0.00 0.32 -0.06 0.00 -0.01 0.00 0.00 56.01 56.25 1q56 n LEU 63 Cb 0.00 -0.48 -0.04 0.00 -0.11 0.00 0.00 43.42 42.79 1q56 n LEU 63 CO 0.00 -2.97 1.21 1.21 -1.51 0.00 0.00 177.39 175.33 1q56 n GLU 64 N 1.02 1.42 -0.64 3.23 2.13 -1.26 -3.42 120.64 123.11 1q56 n GLU 64 Ca 0.03 -0.56 -0.00 0.00 0.66 0.00 0.00 57.16 57.29 1q56 n GLU 64 Cb 0.29 -1.38 -0.00 0.00 0.27 0.00 0.00 31.44 30.61 1q56 n GLU 64 CO 0.00 0.00 0.00 2.89 -0.41 0.00 0.00 177.13 179.61 1q56 n ARG 65 N 1.58 0.00 -4.39 5.31 1.85 -1.26 -5.16 116.66 114.59 1q56 n ARG 65 Ca 0.17 -0.03 -0.20 0.00 -1.00 0.00 0.00 57.85 56.80 1q56 n ARG 65 Cb 0.62 0.44 -0.10 0.00 -1.05 0.00 0.00 32.46 32.36 1q56 n ARG 65 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 1q56 s SER 66 N -0.02 1.87 -0.27 2.89 1.04 -1.22 -4.83 113.70 113.16 1q56 s SER 66 Ca 0.00 -1.42 -0.20 0.00 0.48 0.00 0.00 55.95 54.81 1q56 s SER 66 Cb 0.00 0.10 0.03 0.00 0.10 0.00 0.00 66.02 66.26 1q56 s SER 66 CO -0.00 -0.71 0.36 -0.67 0.98 0.00 0.00 173.24 173.21 1q56 n ASP 67 N -0.67 -2.97 -4.30 7.02 2.03 -1.26 -4.48 116.55 111.92 1q56 n ASP 67 Ca -0.01 -0.14 -0.44 0.00 0.52 0.00 0.00 54.79 54.72 1q56 n ASP 67 Cb 0.66 -0.88 0.00 0.00 -0.72 0.00 0.00 41.12 40.19 1q56 n ASP 67 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 1q56 n TYR 68 N -0.26 4.49 -3.79 -0.67 4.01 -1.14 -4.20 117.16 115.59 1q56 n TYR 68 Ca -0.06 -3.32 -0.37 0.00 -0.16 0.00 0.00 57.90 53.99 1q56 n TYR 68 Cb 0.38 -1.98 -0.13 0.00 -0.31 0.00 0.00 39.34 37.30 1q56 n TYR 68 CO 0.00 0.00 0.00 -1.50 -0.46 0.00 0.00 176.86 174.90 1q56 s ILE 69 N 0.46 3.61 0.35 -0.72 2.07 -1.18 -1.28 121.20 124.50 1q56 s ILE 69 Ca 0.39 -1.11 0.04 0.00 -1.41 0.00 0.00 60.65 58.56 1q56 s ILE 69 Cb -0.02 -3.01 -0.03 0.00 0.13 0.00 0.00 42.46 39.53 1q56 s ILE 69 CO -0.01 -0.11 0.16 0.00 -1.91 0.00 0.00 174.94 173.08 1q56 s ALA 70 N 1.38 2.37 -0.20 1.50 0.00 -0.77 0.93 121.76 126.98 1q56 s ALA 70 Ca -0.02 -1.60 -0.04 0.00 0.00 0.00 0.00 51.96 50.30 1q56 s ALA 70 Cb -0.19 1.01 0.10 0.00 0.00 0.00 0.00 23.12 24.04 1q56 s ALA 70 CO 0.02 -0.45 0.29 -0.51 0.00 0.00 0.00 175.76 175.11 1q56 s LEU 71 N -3.48 -0.35 0.20 0.00 1.43 0.56 -2.13 118.68 114.92 1q56 s LEU 71 Ca 0.31 0.19 0.03 0.00 -1.03 0.00 0.00 54.13 53.64 1q56 s LEU 71 Cb 0.04 0.75 -0.05 0.00 0.03 0.00 0.00 46.19 46.95 1q56 s LEU 71 CO 0.18 -0.29 -0.02 0.00 0.23 0.00 0.00 176.35 176.44 1q56 s ALA 72 N 2.43 1.67 -0.11 4.21 0.00 0.37 0.29 121.76 130.63 1q56 s ALA 72 Ca 0.07 -1.68 -0.02 0.00 0.00 0.00 0.00 51.96 50.33 1q56 s ALA 72 Cb -0.14 0.41 -0.03 0.00 0.00 0.00 0.00 23.12 23.35 1q56 s ALA 72 CO -0.12 -0.23 -0.03 0.42 0.00 0.00 0.00 175.76 175.80 1q56 s ILE 73 N -3.44 4.00 -0.06 0.00 1.01 0.52 0.36 121.20 123.59 1q56 s ILE 73 Ca 0.25 -0.35 -0.03 0.00 0.00 0.00 0.00 60.65 60.53 1q56 s ILE 73 Cb 0.05 -2.69 0.04 0.00 0.01 0.00 0.00 42.46 39.87 1q56 s ILE 73 CO 0.06 0.56 0.11 0.54 0.00 0.00 0.00 174.94 176.21 1q56 s VAL 74 N -0.42 -0.18 -0.43 2.92 0.11 0.27 -1.52 120.40 121.15 1q56 s VAL 74 Ca 0.07 0.38 0.00 0.00 -2.93 0.00 0.00 61.98 59.50 1q56 s VAL 74 Cb -0.12 -0.22 0.00 0.00 -1.53 0.00 0.00 36.38 34.51 1q56 s VAL 74 CO 0.02 0.16 0.00 0.47 -3.33 0.00 0.00 175.10 172.42 1q56 n ASP 75 N 5.25 -4.32 0.00 3.54 8.00 0.86 -2.24 116.55 127.64 1q56 n ASP 75 Ca -0.05 0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.55 1q56 n ASP 75 Cb 0.50 -2.18 0.00 0.00 -0.02 0.00 0.00 41.12 39.42 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 -1.38 0.87 3.23 0.44 0.00 -0.28 -4.97 105.19 103.10 1q56 n GLY 76 Ca -0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.02 1.65 0.41 1.61 0.08 -0.95 -2.71 117.98 116.05 1q56 s PHE 77 Ca 0.00 -0.38 0.00 0.00 0.12 0.00 0.00 56.93 56.67 1q56 s PHE 77 Cb 0.00 -0.96 -0.02 0.00 -0.57 0.00 0.00 43.02 41.47 1q56 s PHE 77 CO 0.00 0.10 0.63 0.08 -0.10 0.00 0.00 175.22 175.93 1q56 s VAL 78 N -0.91 4.46 -0.26 -0.44 1.01 -1.26 0.95 120.40 123.94 1q56 s VAL 78 Ca 0.05 -0.45 -0.23 0.00 0.00 0.00 0.00 61.98 61.35 1q56 s VAL 78 Cb -0.09 -3.64 0.07 0.00 0.00 0.00 0.00 36.38 32.72 1q56 s VAL 78 CO 0.02 -0.45 0.69 0.00 0.00 0.00 0.00 175.10 175.36 1q56 s GLN 79 N -4.48 0.80 -0.29 2.72 -2.07 0.16 0.13 119.66 116.63 1q56 s GLN 79 Ca 0.45 0.97 -0.07 0.00 -1.82 0.00 0.00 55.36 54.89 1q56 s GLN 79 Cb -0.10 0.38 0.00 0.00 -1.09 0.00 0.00 33.01 32.20 1q56 s GLN 79 CO 0.38 -0.10 0.08 0.00 -1.32 0.00 0.00 175.29 174.33 1q56 s MET 80 N 0.44 3.22 -0.03 9.60 0.23 -1.19 -0.48 119.30 131.09 1q56 s MET 80 Ca -0.01 -0.78 -0.20 0.00 -1.03 0.00 0.00 55.69 53.68 1q56 s MET 80 Cb -0.05 -3.38 -0.05 0.00 -1.53 0.00 0.00 34.83 29.82 1q56 s MET 80 CO -0.00 -0.39 0.57 0.00 -2.03 0.00 0.00 175.02 173.17 1q56 s MET 81 N 1.53 4.31 -0.08 3.16 0.00 -0.90 -2.67 119.30 124.65 1q56 s MET 81 Ca 0.04 0.68 0.02 0.00 0.00 0.00 0.00 55.69 56.43 1q56 s MET 81 Cb -0.17 -3.36 0.01 0.00 0.00 0.00 0.00 34.83 31.31 1q56 s MET 81 CO 0.03 0.31 -0.14 -0.47 0.00 0.00 0.00 175.02 174.75 1q56 s TYR 82 N 0.02 1.70 -0.41 3.16 6.14 -0.78 -1.84 117.35 125.34 1q56 s TYR 82 Ca 0.30 -0.68 0.08 0.00 0.64 0.00 0.00 57.07 57.42 1q56 s TYR 82 Cb -0.17 -1.23 0.28 0.00 0.42 0.00 0.00 41.96 41.26 1q56 s TYR 82 CO 0.16 -0.34 0.72 -3.47 0.64 0.00 0.00 175.55 173.26 1q56 n ASP 83 N 3.87 -0.60 0.00 4.32 -0.08 -0.41 -0.58 116.55 123.08 1q56 n ASP 83 Ca -0.21 -3.02 0.05 0.00 -1.51 0.00 0.00 54.79 50.10 1q56 n ASP 83 Cb 0.52 0.19 0.28 0.00 2.34 0.00 0.00 41.12 44.45 1q56 n ASP 83 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1q56 n LEU 84 N 1.04 0.00 0.08 -2.67 -0.00 -1.26 -2.89 117.00 111.30 1q56 n LEU 84 Ca 0.18 0.18 0.00 0.00 -0.00 0.00 0.00 56.01 56.37 1q56 n LEU 84 Cb 0.60 -0.18 0.00 0.00 -0.00 0.00 0.00 43.42 43.84 1q56 n LEU 84 CO 0.14 -0.12 -0.02 0.61 -0.00 0.00 0.00 177.39 178.00 1q56 n GLY 85 N -0.37 -0.16 0.00 1.47 0.00 -1.26 -4.30 105.19 100.57 1q56 n GLY 85 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -3.07 0.00 -4.48 1.61 2.88 -1.26 -4.99 113.62 104.32 1q56 n SER 86 Ca 0.00 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.11 1q56 n SER 86 Cb 0.02 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.39 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 -0.10 3.11 0.74 -1.46 -0.14 -1.26 -5.02 119.74 115.61 1q56 s LYS 87 Ca 0.00 -0.84 -0.11 0.00 -1.36 0.00 0.00 55.97 53.66 1q56 s LYS 87 Cb 0.00 -3.95 0.04 0.00 -1.68 0.00 0.00 37.83 32.24 1q56 s LYS 87 CO 0.00 -0.75 1.08 -1.25 -0.76 0.00 0.00 175.35 173.67 1q56 s PRO 88 N 1.89 2.55 -0.10 -1.68 0.04 -1.25 -4.37 135.00 132.07 1q56 s PRO 88 Ca 0.08 1.08 -0.02 0.00 0.04 0.00 0.00 61.00 62.19 1q56 s PRO 88 Cb -0.18 -1.94 0.04 0.00 0.04 0.00 0.00 34.50 32.46 1q56 s PRO 88 CO 0.12 -1.41 0.03 0.54 0.04 0.00 0.00 177.00 176.32 1q56 s VAL 89 N -2.95 0.22 -0.39 -0.36 0.11 0.26 -4.83 120.40 112.46 1q56 s VAL 89 Ca 0.60 0.04 -0.17 0.00 -2.93 0.00 0.00 61.98 59.52 1q56 s VAL 89 Cb -0.16 -0.53 0.01 0.00 -1.53 0.00 0.00 36.38 34.17 1q56 s VAL 89 CO 0.55 0.09 0.44 0.54 -3.33 0.00 0.00 175.10 173.39 1q56 s VAL 90 N 2.02 5.08 -0.96 2.04 0.11 -1.26 -1.86 120.40 125.57 1q56 s VAL 90 Ca 0.04 -0.08 -0.02 0.00 -2.93 0.00 0.00 61.98 58.99 1q56 s VAL 90 Cb -0.13 -3.97 0.29 0.00 -1.53 0.00 0.00 36.38 31.03 1q56 s VAL 90 CO -0.06 -0.30 1.23 0.18 -3.33 0.00 0.00 175.10 172.82 1q56 n LEU 91 N 5.61 5.56 -4.27 2.54 4.77 -1.09 -4.92 117.00 125.20 1q56 n LEU 91 Ca -0.07 -5.26 -0.30 0.00 -0.03 0.00 0.00 56.01 50.35 1q56 n LEU 91 Cb 0.48 -1.13 0.29 0.00 -2.33 0.00 0.00 43.42 40.74 1q56 n LEU 91 CO 0.45 1.75 0.38 -0.13 -1.33 0.00 0.00 177.39 178.50 1q56 s ARG 92 N -2.51 -3.11 0.26 3.23 0.52 -1.26 -3.16 118.95 112.92 1q56 s ARG 92 Ca 0.33 0.22 0.05 0.00 -0.52 0.00 0.00 55.73 55.81 1q56 s ARG 92 Cb 0.05 -1.35 -0.02 0.00 0.52 0.00 0.00 34.95 34.15 1q56 s ARG 92 CO 0.05 -5.01 0.39 0.45 0.02 0.00 0.00 175.30 171.19 1q56 s SER 93 N -2.98 6.22 -0.19 0.23 0.15 0.35 -4.58 113.70 112.90 1q56 s SER 93 Ca 0.68 -0.00 0.14 0.00 0.70 0.00 0.00 55.95 57.47 1q56 s SER 93 Cb -0.15 -1.69 0.39 0.00 -1.71 0.00 0.00 66.02 62.86 1q56 s SER 93 CO 0.59 -0.16 1.23 0.35 1.20 0.00 0.00 173.24 176.45 1q56 n THR 94 N -1.47 2.14 -4.04 6.45 -2.24 -1.26 -4.78 114.28 109.08 1q56 n THR 94 Ca -0.07 -2.76 -0.12 0.00 -2.27 0.00 0.00 64.05 58.83 1q56 n THR 94 Cb 0.57 -0.25 -0.12 0.00 -2.10 0.00 0.00 70.33 68.43 1q56 n THR 94 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1q56 s VAL 95 N -3.09 0.34 0.28 2.28 1.01 -1.26 -5.05 120.40 114.92 1q56 s VAL 95 Ca 0.37 -0.78 -0.29 0.00 0.00 0.00 0.00 61.98 61.27 1q56 s VAL 95 Cb 0.34 -0.41 -0.10 0.00 0.00 0.00 0.00 36.38 36.21 1q56 s VAL 95 CO -0.02 -0.29 1.38 -2.16 0.00 0.00 0.00 175.10 174.01 1q56 s PRO 96 N -1.15 4.30 0.00 2.72 0.04 -1.26 -4.77 135.00 134.88 1q56 s PRO 96 Ca -0.09 2.27 0.00 0.00 0.04 0.00 0.00 61.00 63.22 1q56 s PRO 96 Cb -0.08 -3.09 0.00 0.00 0.04 0.00 0.00 34.50 31.37 1q56 s PRO 96 CO -0.00 -0.33 0.00 1.51 0.04 0.00 0.00 177.00 178.22 1q56 n ILE 97 N 1.67 0.00 -0.80 0.56 3.06 -1.10 -4.85 119.36 117.90 1q56 n ILE 97 Ca 0.04 0.00 -0.16 0.00 -2.50 0.00 0.00 62.75 60.12 1q56 n ILE 97 Cb 0.41 0.08 -0.08 0.00 0.54 0.00 0.00 39.64 40.59 1q56 n ILE 97 CO 0.00 0.00 0.00 -0.46 -2.50 0.00 0.00 176.55 173.59 1q56 n ASN 98 N -0.95 4.75 -1.11 9.51 0.23 -1.25 -3.82 115.26 122.63 1q56 n ASN 98 Ca 0.00 -2.28 0.04 0.00 -0.53 0.00 0.00 54.58 51.81 1q56 n ASN 98 Cb 0.06 -1.11 0.12 0.00 -2.08 0.00 0.00 39.78 36.78 1q56 n ASN 98 CO 0.00 0.00 0.00 1.07 -0.93 0.00 0.00 177.26 177.40 1q56 n THR 99 N 3.20 1.29 -1.74 5.53 5.66 -1.26 -4.90 114.28 122.05 1q56 n THR 99 Ca 0.41 -2.36 -0.01 0.00 -3.05 0.00 0.00 64.05 59.04 1q56 n THR 99 Cb 0.45 0.28 -0.00 0.00 -1.55 0.00 0.00 70.33 69.51 1q56 n THR 99 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 1q56 n ASN 100 N -0.42 -0.62 -4.92 1.09 6.94 -1.04 -4.88 115.26 111.41 1q56 n ASN 100 Ca 0.14 0.24 -0.21 0.00 -0.02 0.00 0.00 54.58 54.73 1q56 n ASN 100 Cb 0.89 -0.85 -0.03 0.00 -2.36 0.00 0.00 39.78 37.44 1q56 n ASN 100 CO 0.00 0.00 0.00 -1.00 -1.03 0.00 0.00 177.26 175.23 1q56 s HIS 101 N -1.52 3.33 -0.67 -2.53 3.76 -1.26 -4.87 115.29 111.52 1q56 s HIS 101 Ca 0.00 -0.05 -0.27 0.00 -0.15 0.00 0.00 55.06 54.59 1q56 s HIS 101 Cb 0.00 -1.51 0.03 0.00 1.11 0.00 0.00 32.58 32.21 1q56 s HIS 101 CO 0.00 0.47 1.20 -1.58 -0.85 0.00 0.00 174.74 173.98 1q56 s TRP 102 N -2.03 2.45 0.61 1.40 0.52 -1.26 -4.17 118.94 116.46 1q56 s TRP 102 Ca 0.34 0.06 0.02 0.00 0.02 0.00 0.00 56.10 56.53 1q56 s TRP 102 Cb -0.09 -4.53 0.07 0.00 -1.15 0.00 0.00 33.47 27.78 1q56 s TRP 102 CO 0.28 -1.84 0.85 0.99 0.02 0.00 0.00 176.95 177.25 1q56 s THR 103 N 5.23 2.43 -0.13 2.01 2.01 -0.77 -4.87 115.64 121.56 1q56 s THR 103 Ca 0.36 -0.69 0.02 0.00 0.31 0.00 0.00 61.69 61.69 1q56 s THR 103 Cb -0.09 -2.74 0.01 0.00 0.01 0.00 0.00 72.50 69.69 1q56 s THR 103 CO 0.18 0.00 -0.20 -2.28 -0.69 0.00 0.00 174.62 171.63 1q56 s HIS 104 N -2.87 2.42 0.08 4.92 2.46 -1.26 -2.75 115.29 118.29 1q56 s HIS 104 Ca 0.61 -1.18 0.08 0.00 0.47 0.00 0.00 55.06 55.04 1q56 s HIS 104 Cb -0.08 -1.67 -0.03 0.00 -0.13 0.00 0.00 32.58 30.67 1q56 s HIS 104 CO 0.40 -0.55 -0.22 0.42 -2.47 0.00 0.00 174.74 172.33 1q56 s ILE 105 N 0.83 1.76 0.37 0.89 1.09 0.26 0.21 121.20 126.62 1q56 s ILE 105 Ca -0.08 -1.42 -0.07 0.00 -1.10 0.00 0.00 60.65 57.98 1q56 s ILE 105 Cb -0.15 -1.56 0.03 0.00 -1.06 0.00 0.00 42.46 39.71 1q56 s ILE 105 CO -0.01 0.08 0.61 -0.54 -0.10 0.00 0.00 174.94 174.98 1q56 s LYS 106 N -1.59 2.09 -0.17 2.79 1.02 0.31 -1.91 119.74 122.28 1q56 s LYS 106 Ca 0.08 -1.67 -0.28 0.00 0.02 0.00 0.00 55.97 54.12 1q56 s LYS 106 Cb -0.10 0.52 0.10 0.00 -0.52 0.00 0.00 37.83 37.84 1q56 s LYS 106 CO 0.03 -0.92 0.86 0.00 -0.92 0.00 0.00 175.35 174.40 1q56 s ALA 107 N -2.63 -1.87 -0.24 5.17 0.00 -0.50 0.13 121.76 121.81 1q56 s ALA 107 Ca 0.25 1.65 -0.03 0.00 0.00 0.00 0.00 51.96 53.83 1q56 s ALA 107 Cb -0.02 -0.74 0.08 0.00 0.00 0.00 0.00 23.12 22.43 1q56 s ALA 107 CO 0.17 -0.32 0.09 0.71 0.00 0.00 0.00 175.76 176.42 1q56 s TYR 108 N -0.57 0.82 -0.14 0.00 2.02 -0.73 -1.88 117.35 116.88 1q56 s TYR 108 Ca -0.03 -0.97 -0.14 0.00 -0.37 0.00 0.00 57.07 55.56 1q56 s TYR 108 Cb -0.02 -1.09 -0.05 0.00 -0.40 0.00 0.00 41.96 40.41 1q56 s TYR 108 CO 0.02 -0.72 0.32 0.50 -1.57 0.00 0.00 175.55 174.10 1q56 s ARG 109 N 1.92 4.20 -0.25 -0.62 6.06 -1.15 -1.85 118.95 127.27 1q56 s ARG 109 Ca 0.05 0.15 -0.03 0.00 -2.50 0.00 0.00 55.73 53.39 1q56 s ARG 109 Cb -0.17 -3.40 0.08 0.00 0.06 0.00 0.00 34.95 31.53 1q56 s ARG 109 CO -0.21 0.29 0.10 0.08 -2.50 0.00 0.00 175.30 173.06 1q56 s VAL 110 N 0.30 0.21 -0.04 7.11 1.01 0.98 -2.66 120.40 127.30 1q56 s VAL 110 Ca 0.18 -0.70 -0.03 0.00 0.00 0.00 0.00 61.98 61.43 1q56 s VAL 110 Cb -0.13 -1.02 0.00 0.00 0.00 0.00 0.00 36.38 35.23 1q56 s VAL 110 CO 0.05 -0.52 0.05 0.00 0.00 0.00 0.00 175.10 174.68 1q56 n GLN 111 N 5.15 -0.50 0.00 2.72 6.02 -1.11 -2.34 117.38 127.32 1q56 n GLN 111 Ca -0.06 0.89 0.00 0.00 -0.01 0.00 0.00 57.00 57.82 1q56 n GLN 111 Cb 0.45 -1.23 0.00 0.00 1.02 0.00 0.00 30.24 30.48 1q56 n GLN 111 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 177.06 178.94 1q56 n ARG 112 N 1.16 0.00 -2.91 -1.09 1.85 -1.26 -4.85 116.66 109.56 1q56 n ARG 112 Ca -0.01 0.00 -0.41 0.00 -1.00 0.00 0.00 57.85 56.43 1q56 n ARG 112 Cb 0.49 0.00 -0.04 0.00 -1.05 0.00 0.00 32.46 31.86 1q56 n ARG 112 CO 0.00 0.00 0.00 -2.00 -0.01 0.00 0.00 177.63 175.62 1q56 s GLU 113 N 0.00 4.24 0.36 2.89 2.12 -0.99 -0.81 118.70 126.52 1q56 s GLU 113 Ca 0.00 0.95 0.08 0.00 0.36 0.00 0.00 54.97 56.36 1q56 s GLU 113 Cb 0.00 -3.61 -0.05 0.00 0.26 0.00 0.00 34.13 30.74 1q56 s GLU 113 CO 0.00 -0.40 0.13 0.20 -0.54 0.00 0.00 175.26 174.64 1q56 s GLY 114 N 1.24 2.11 0.02 -1.50 0.00 0.47 -0.02 107.32 109.63 1q56 s GLY 114 Ca 0.36 -1.95 -0.08 0.00 0.00 0.00 0.00 44.72 43.05 1q56 s GLY 114 CO 0.10 -1.84 0.14 -0.45 0.00 0.00 0.00 173.10 171.05 1q56 s SER 115 N -3.84 0.05 0.06 1.64 0.15 -0.77 -1.19 113.70 109.80 1q56 s SER 115 Ca 0.38 -0.30 0.05 0.00 0.70 0.00 0.00 55.95 56.79 1q56 s SER 115 Cb 0.00 0.23 -0.04 0.00 -1.71 0.00 0.00 66.02 64.50 1q56 s SER 115 CO 0.22 -0.44 -0.08 -0.22 1.20 0.00 0.00 173.24 173.93 1q56 s LEU 116 N -1.66 3.12 -0.43 3.45 1.98 0.21 -1.77 118.68 123.57 1q56 s LEU 116 Ca -0.11 -0.26 0.02 0.00 -2.89 0.00 0.00 54.13 50.89 1q56 s LEU 116 Cb -0.05 -1.85 0.13 0.00 0.66 0.00 0.00 46.19 45.07 1q56 s LEU 116 CO -0.01 0.23 0.21 -1.58 -1.89 0.00 0.00 176.35 173.32 1q56 s GLN 117 N -1.84 1.37 -1.07 1.98 2.00 0.34 -2.31 119.66 120.13 1q56 s GLN 117 Ca 0.20 -2.02 -0.22 0.00 -2.00 0.00 0.00 55.36 51.32 1q56 s GLN 117 Cb -0.11 -2.54 0.04 0.00 0.80 0.00 0.00 33.01 31.20 1q56 s GLN 117 CO 0.11 -1.12 1.56 0.08 -0.50 0.00 0.00 175.29 175.42 1q56 s VAL 118 N 0.40 3.91 -1.11 1.34 1.01 -1.26 0.12 120.40 124.81 1q56 s VAL 118 Ca 0.16 -0.96 -0.09 0.00 0.00 0.00 0.00 61.98 61.09 1q56 s VAL 118 Cb -0.24 -4.99 -0.04 0.00 0.00 0.00 0.00 36.38 31.11 1q56 s VAL 118 CO -0.03 -1.86 0.88 0.61 0.00 0.00 0.00 175.10 174.70 1q56 n GLY 119 N 6.57 -0.98 1.78 4.51 0.00 0.57 -1.94 105.19 115.69 1q56 n GLY 119 Ca 0.37 0.47 -0.01 0.00 0.00 0.00 0.00 46.02 46.85 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 -3.06 -0.85 -1.45 1.61 2.85 -1.26 -4.88 115.26 108.22 1q56 n ASN 120 Ca -0.11 0.24 0.00 0.00 -0.11 0.00 0.00 54.58 54.60 1q56 n ASN 120 Cb 0.62 -1.03 0.00 0.00 1.24 0.00 0.00 39.78 40.61 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 -1.79 1.52 -1.33 1.20 1.02 -0.82 -4.85 120.64 115.59 1q56 n GLU 121 Ca -0.02 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.81 1q56 n GLU 121 Cb 0.27 0.00 -0.16 0.00 -0.02 0.00 0.00 31.44 31.54 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 0.49 -2.43 0.62 0.00 -1.26 -4.59 120.51 110.34 1q56 n ALA 122 Ca 0.00 -0.40 -0.42 0.00 0.00 0.00 0.00 53.44 52.62 1q56 n ALA 122 Cb 0.00 -2.04 -0.03 0.00 0.00 0.00 0.00 19.45 17.37 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 7.41 4.46 0.22 0.00 0.04 -1.26 -4.67 135.00 141.19 1q56 s PRO 123 Ca 1.19 1.73 -0.19 0.00 0.04 0.00 0.00 61.00 63.77 1q56 s PRO 123 Cb -1.00 -3.35 -0.08 0.00 0.04 0.00 0.00 34.50 30.10 1q56 s PRO 123 CO 0.46 -0.21 0.71 -1.50 0.04 0.00 0.00 177.00 176.50 1q56 s ILE 124 N 0.96 4.59 0.06 0.56 1.10 -0.98 -4.81 121.20 122.67 1q56 s ILE 124 Ca 0.57 1.25 -0.00 0.00 -0.51 0.00 0.00 60.65 61.96 1q56 s ILE 124 Cb -0.28 -3.85 -0.04 0.00 0.15 0.00 0.00 42.46 38.44 1q56 s ILE 124 CO 0.29 0.21 -0.04 0.42 -2.11 0.00 0.00 174.94 173.72 1q56 s THR 125 N -1.51 0.33 0.10 4.00 -4.23 -1.26 0.63 115.64 113.69 1q56 s THR 125 Ca 0.42 -1.68 -0.26 0.00 -1.18 0.00 0.00 61.69 58.99 1q56 s THR 125 Cb -0.17 -1.34 0.08 0.00 1.34 0.00 0.00 72.50 72.41 1q56 s THR 125 CO 0.21 -0.87 0.90 -0.83 -0.54 0.00 0.00 174.62 173.49 1q56 s GLY 126 N -2.68 -0.34 -0.01 3.99 0.00 -0.34 -4.96 107.32 102.99 1q56 s GLY 126 Ca 0.04 0.48 -0.19 0.00 0.00 0.00 0.00 44.72 45.04 1q56 s GLY 126 CO -0.07 0.14 0.42 -0.56 0.00 0.00 0.00 173.10 173.03 1q56 s SER 127 N -2.75 -0.32 0.48 1.64 0.01 -1.26 0.18 113.70 111.67 1q56 s SER 127 Ca 0.09 0.21 0.07 0.00 1.31 0.00 0.00 55.95 57.63 1q56 s SER 127 Cb -0.01 0.39 0.02 0.00 0.21 0.00 0.00 66.02 66.63 1q56 s SER 127 CO -0.03 -0.54 0.47 -0.94 0.41 0.00 0.00 173.24 172.61 1q56 s SER 128 N -1.47 4.98 -0.80 2.44 1.04 0.01 -4.86 113.70 115.04 1q56 s SER 128 Ca -0.11 -0.88 -0.18 0.00 0.48 0.00 0.00 55.95 55.25 1q56 s SER 128 Cb -0.03 -0.14 -0.13 0.00 0.10 0.00 0.00 66.02 65.82 1q56 s SER 128 CO 0.04 -0.91 1.96 -0.81 0.98 0.00 0.00 173.24 174.49 1q56 n PRO 129 N -1.75 1.62 0.00 4.02 -0.04 -1.26 -4.64 135.00 132.94 1q56 n PRO 129 Ca 0.05 -1.75 0.00 0.00 -0.04 0.00 0.00 63.50 61.75 1q56 n PRO 129 Cb 0.62 -2.81 0.00 0.00 -0.04 0.00 0.00 33.50 31.27 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 6.74 0.00 0.00 1.53 -0.00 -1.26 -4.72 117.00 119.29 1q56 n LEU 130 Ca 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.49 1q56 n LEU 130 Cb 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.76 1q56 n LEU 130 CO 0.96 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.96 1q56 n GLY 131 N 0.00 -0.35 3.57 1.47 0.00 -1.26 -4.54 105.19 104.07 1q56 n GLY 131 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.14 1.46 0.00 4.61 0.00 -1.26 -4.83 121.76 118.59 1q56 s ALA 132 Ca 0.00 -1.56 0.00 0.00 0.00 0.00 0.00 51.96 50.40 1q56 s ALA 132 Cb 0.00 -4.60 0.00 0.00 0.00 0.00 0.00 23.12 18.52 1q56 s ALA 132 CO 0.00 -5.23 0.00 2.41 0.00 0.00 0.00 175.76 172.94 1q56 n THR 133 N 8.08 0.00 -0.04 0.00 -1.04 -1.26 -3.29 114.28 116.72 1q56 n THR 133 Ca 0.42 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 62.35 1q56 n THR 133 Cb 0.46 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.94 1q56 n THR 133 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1q56 n GLN 134 N -2.05 0.20 -2.12 -2.82 3.00 -1.26 -4.84 117.38 107.48 1q56 n GLN 134 Ca 0.00 0.07 0.00 0.00 -0.01 0.00 0.00 57.00 57.06 1q56 n GLN 134 Cb 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 30.24 29.28 1q56 n GLN 134 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 1q56 n LEU 135 N -3.13 -6.06 -4.76 1.08 -0.00 -1.21 -4.80 117.00 98.13 1q56 n LEU 135 Ca -0.16 2.76 -0.41 0.00 -0.00 0.00 0.00 56.01 58.20 1q56 n LEU 135 Cb 0.64 -3.03 -0.04 0.00 -0.00 0.00 0.00 43.42 40.99 1q56 n LEU 135 CO 0.04 -2.28 0.83 -1.81 -0.00 0.00 0.00 177.39 174.17 1q56 s ASP 136 N -0.52 7.18 -0.27 1.96 1.01 -1.26 -4.64 116.67 120.12 1q56 s ASP 136 Ca 0.00 2.31 0.00 0.00 0.71 0.00 0.00 52.55 55.57 1q56 s ASP 136 Cb 0.00 -2.63 0.16 0.00 1.01 0.00 0.00 42.92 41.46 1q56 s ASP 136 CO 0.00 -0.23 0.44 0.42 0.21 0.00 0.00 175.17 176.01 1q56 s THR 137 N -0.93 -0.70 0.00 -1.27 -4.23 -1.26 -4.66 115.64 102.58 1q56 s THR 137 Ca 0.47 -0.15 0.00 0.00 -1.18 0.00 0.00 61.69 60.83 1q56 s THR 137 Cb -0.33 -0.93 0.00 0.00 1.34 0.00 0.00 72.50 72.58 1q56 s THR 137 CO 0.41 -0.16 0.00 -0.90 -0.54 0.00 0.00 174.62 173.43 1q56 n ASP 138 N 5.37 0.00 -0.08 3.99 5.75 -1.26 -5.00 116.55 125.32 1q56 n ASP 138 Ca -0.01 0.00 0.05 0.00 -0.01 0.00 0.00 54.79 54.83 1q56 n ASP 138 Cb 0.50 0.00 0.10 0.00 -1.03 0.00 0.00 41.12 40.69 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 0.00 -0.27 3.44 6.12 0.00 -1.26 -4.46 105.19 108.76 1q56 n GLY 139 Ca 0.00 0.22 -0.13 0.00 0.00 0.00 0.00 46.02 46.12 1q56 n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q56 s ALA 140 N -4.74 0.59 -0.09 4.61 0.00 -1.26 -3.76 121.76 117.12 1q56 s ALA 140 Ca -0.03 -1.38 -0.30 0.00 0.00 0.00 0.00 51.96 50.25 1q56 s ALA 140 Cb 0.08 1.20 0.08 0.00 0.00 0.00 0.00 23.12 24.47 1q56 s ALA 140 CO 0.19 -0.76 0.72 -1.17 0.00 0.00 0.00 175.76 174.74 1q56 s LEU 141 N -3.16 -0.64 0.02 0.00 2.96 -0.26 -4.48 118.68 113.12 1q56 s LEU 141 Ca 0.30 0.77 0.03 0.00 -0.22 0.00 0.00 54.13 55.02 1q56 s LEU 141 Cb 0.01 2.47 -0.01 0.00 0.50 0.00 0.00 46.19 49.16 1q56 s LEU 141 CO 0.15 -0.54 -0.10 0.26 -1.32 0.00 0.00 176.35 174.80 1q56 s TRP 142 N -1.00 0.85 -0.12 5.38 0.52 -0.86 0.40 118.94 124.10 1q56 s TRP 142 Ca -0.09 -0.26 -0.04 0.00 0.02 0.00 0.00 56.10 55.73 1q56 s TRP 142 Cb -0.01 -0.52 0.06 0.00 -1.15 0.00 0.00 33.47 31.85 1q56 s TRP 142 CO 0.08 -0.01 0.23 -1.17 0.02 0.00 0.00 176.95 176.10 1q56 s LEU 143 N -0.71 -0.22 0.00 2.99 2.96 -0.95 -0.37 118.68 122.39 1q56 s LEU 143 Ca 0.00 0.43 0.00 0.00 -0.22 0.00 0.00 54.13 54.34 1q56 s LEU 143 Cb -0.06 0.54 0.00 0.00 0.50 0.00 0.00 46.19 47.18 1q56 s LEU 143 CO 0.00 -0.25 0.00 0.61 -1.32 0.00 0.00 176.35 175.39 1q56 n GLY 144 N 5.34 0.81 0.00 7.98 0.00 0.78 -3.01 105.19 117.10 1q56 n GLY 144 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 0.31 3.85 -0.02 0.00 -1.06 -2.97 105.19 105.30 1q56 n GLY 145 Ca 0.00 -0.96 -0.01 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.05 0.98 -0.05 1.61 -1.94 -1.26 -4.70 119.30 112.89 1q56 s MET 146 Ca 0.00 -0.61 0.19 0.00 -1.71 0.00 0.00 55.69 53.56 1q56 s MET 146 Cb 0.00 0.29 -0.23 0.00 2.01 0.00 0.00 34.83 36.90 1q56 s MET 146 CO 0.00 -0.46 0.47 -1.91 -0.01 0.00 0.00 175.02 173.12 1q56 n GLU 147 N -0.68 0.66 -3.21 2.03 4.07 -1.26 -4.61 120.64 117.64 1q56 n GLU 147 Ca -0.03 0.02 -0.23 0.00 -0.06 0.00 0.00 57.16 56.86 1q56 n GLU 147 Cb 0.60 -1.63 -0.07 0.00 -0.06 0.00 0.00 31.44 30.29 1q56 n GLU 147 CO 0.00 0.00 0.00 2.89 -0.06 0.00 0.00 177.13 179.96 1q56 n ARG 148 N -2.65 0.50 0.00 5.31 1.85 -1.26 -4.99 116.66 115.41 1q56 n ARG 148 Ca -0.16 -3.00 0.00 0.00 -1.00 0.00 0.00 57.85 53.69 1q56 n ARG 148 Cb 0.86 -1.43 0.00 0.00 -1.05 0.00 0.00 32.46 30.84 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 2.09 1.10 0.32 2.89 7.94 -1.26 -3.28 117.00 126.80 1q56 n LEU 149 Ca 0.23 -0.55 0.20 0.00 -1.11 0.00 0.00 56.01 54.78 1q56 n LEU 149 Cb 0.52 -0.28 1.06 0.00 0.53 0.00 0.00 43.42 45.24 1q56 n LEU 149 CO 0.12 0.21 1.13 0.77 -1.11 0.00 0.00 177.39 178.51 1q56 h SER 150 N 0.63 0.00 0.00 1.96 4.64 -1.95 -3.36 113.55 115.47 1q56 h SER 150 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1q56 h SER 150 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1q56 h SER 150 CO 0.00 0.01 0.00 0.55 -0.87 0.00 0.00 176.83 176.52 1q56 n VAL 151 N -3.22 0.00 0.00 0.95 3.14 -1.21 -4.53 118.33 113.47 1q56 n VAL 151 Ca -0.02 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.36 1q56 n VAL 151 Cb 0.13 -0.06 0.00 0.00 -1.06 0.00 0.00 33.84 32.84 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 0.00 0.00 1.55 0.00 -1.26 -4.73 120.51 113.07 1q56 n ALA 152 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1q56 n ALA 152 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 0.00 -1.07 0.00 8.25 -1.26 -4.75 115.22 116.39 1q56 n HIS 153 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1q56 n HIS 153 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 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 0.00 0.38 -1.24 -0.41 0.00 -1.26 -5.10 118.16 110.53 1q56 n LYS 154 Ca 0.00 -0.77 -0.30 0.00 -0.00 0.00 0.00 58.31 57.25 1q56 n LYS 154 Cb 0.00 -0.59 0.14 0.00 -0.00 0.00 0.00 35.03 34.58 1q56 n LYS 154 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.40 176.92 1q56 s LEU 155 N -0.20 2.21 0.00 -5.58 -0.00 -1.26 -5.04 118.68 108.81 1q56 s LEU 155 Ca 0.01 1.43 0.00 0.00 -0.00 0.00 0.00 54.13 55.56 1q56 s LEU 155 Cb 0.01 -3.84 0.00 0.00 -0.00 0.00 0.00 46.19 42.36 1q56 s LEU 155 CO 0.00 -2.63 0.00 -0.81 -0.00 0.00 0.00 176.35 172.91 1q56 n PRO 156 N -3.87 -1.17 0.03 1.48 -0.04 -1.26 -4.77 135.00 125.40 1q56 n PRO 156 Ca 0.07 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.54 1q56 n PRO 156 Cb 0.56 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 34.08 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 -1.52 0.02 -0.31 0.54 5.02 -1.26 -3.16 118.16 117.49 1q56 n LYS 157 Ca 0.00 0.37 0.18 0.00 -2.02 0.00 0.00 58.31 56.84 1q56 n LYS 157 Cb 0.00 -1.73 0.34 0.00 -0.02 0.00 0.00 35.03 33.62 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 -1.37 0.59 0.05 7.82 0.00 -1.26 0.25 120.51 126.58 1q56 n ALA 158 Ca -0.00 0.97 -0.05 0.00 0.00 0.00 0.00 53.44 54.36 1q56 n ALA 158 Cb 0.18 -0.77 -0.09 0.00 0.00 0.00 0.00 19.45 18.77 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 -1.87 -1.89 116.97 111.21 1q56 h TYR 159 Ca 0.61 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.34 1q56 h TYR 159 Cb 1.38 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.11 1q56 h TYR 159 CO -0.34 0.84 0.00 0.45 -0.00 0.00 0.00 178.16 179.11 1q56 n SER 160 N -3.17 0.00 -3.73 3.88 2.88 0.69 -4.13 113.62 110.04 1q56 n SER 160 Ca -0.06 0.18 -0.30 0.00 -1.33 0.00 0.00 58.87 57.37 1q56 n SER 160 Cb 0.92 -0.35 -0.15 0.00 -0.75 0.00 0.00 64.21 63.88 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 -2.71 0.95 0.96 2.46 2.01 0.29 -5.05 115.64 114.54 1q56 s THR 161 Ca 0.14 -1.58 -0.15 0.00 0.31 0.00 0.00 61.69 60.41 1q56 s THR 161 Cb 0.12 -1.71 0.08 0.00 0.01 0.00 0.00 72.50 70.99 1q56 s THR 161 CO 0.28 -0.72 -0.09 0.61 -0.69 0.00 0.00 174.62 174.02 1q56 n GLY 162 N 4.63 -2.36 3.81 4.40 0.00 -1.18 -3.94 105.19 110.56 1q56 n GLY 162 Ca 0.00 -0.59 -0.34 0.00 0.00 0.00 0.00 46.02 45.10 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 3.30 -0.45 1.61 5.36 -1.16 -4.59 117.98 119.97 1q56 s PHE 163 Ca 0.35 1.63 0.02 0.00 -0.96 0.00 0.00 56.93 57.97 1q56 s PHE 163 Cb -0.04 -2.90 0.14 0.00 -0.34 0.00 0.00 43.02 39.88 1q56 s PHE 163 CO 0.41 -0.20 0.27 0.42 -1.46 0.00 0.00 175.22 174.65 1q56 s ILE 164 N -2.07 1.31 0.00 3.12 1.01 -1.26 -0.63 121.20 122.68 1q56 s ILE 164 Ca 0.61 -2.63 0.00 0.00 0.00 0.00 0.00 60.65 58.64 1q56 s ILE 164 Cb -0.12 -1.91 0.00 0.00 0.01 0.00 0.00 42.46 40.44 1q56 s ILE 164 CO 0.16 -0.94 0.00 0.61 0.00 0.00 0.00 174.94 174.76 1q56 n GLY 165 N 3.40 1.79 3.01 6.18 0.00 -1.26 -2.27 105.19 116.05 1q56 n GLY 165 Ca 0.12 -0.45 -0.12 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.15 0.82 0.12 0.00 1.01 -0.94 0.25 121.20 121.32 1q56 s ILE 167 Ca -0.09 -1.47 -0.25 0.00 0.00 0.00 0.00 60.65 58.84 1q56 s ILE 167 Cb -0.08 -1.15 0.07 0.00 0.01 0.00 0.00 42.46 41.31 1q56 s ILE 167 CO -0.00 -0.50 0.75 -0.60 0.00 0.00 0.00 174.94 174.59 1q56 s ARG 168 N -2.43 1.19 -0.50 2.79 3.52 -0.67 -2.79 118.95 120.06 1q56 s ARG 168 Ca 0.01 -0.50 -0.24 0.00 -0.13 0.00 0.00 55.73 54.86 1q56 s ARG 168 Cb -0.05 0.51 0.04 0.00 -1.56 0.00 0.00 34.95 33.88 1q56 s ARG 168 CO -0.00 -0.53 0.64 -0.25 -0.81 0.00 0.00 175.30 174.35 1q56 n ASP 169 N -0.36 -6.47 -4.23 -2.12 9.92 -1.26 -2.07 116.55 109.96 1q56 n ASP 169 Ca -0.11 0.01 -0.30 0.00 -0.53 0.00 0.00 54.79 53.86 1q56 n ASP 169 Cb 0.63 -3.25 -0.16 0.00 -0.64 0.00 0.00 41.12 37.70 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 -2.14 1.87 -0.01 2.53 -7.23 -1.26 -3.60 120.40 110.57 1q56 s VAL 170 Ca 0.27 -0.96 -0.09 0.00 -1.81 0.00 0.00 61.98 59.38 1q56 s VAL 170 Cb -0.04 -1.59 0.01 0.00 0.56 0.00 0.00 36.38 35.32 1q56 s VAL 170 CO 0.83 0.52 0.19 -0.63 -0.31 0.00 0.00 175.10 175.71 1q56 s ILE 171 N -0.10 0.07 -0.29 -0.62 1.01 0.15 -2.79 121.20 118.63 1q56 s ILE 171 Ca -0.04 -0.56 -0.00 0.00 0.00 0.00 0.00 60.65 60.05 1q56 s ILE 171 Cb -0.13 -0.47 0.09 0.00 0.01 0.00 0.00 42.46 41.96 1q56 s ILE 171 CO 0.03 -0.31 0.07 -0.69 0.00 0.00 0.00 174.94 174.04 1q56 s VAL 172 N -1.22 1.05 -1.51 2.92 1.01 -1.19 -0.48 120.40 120.99 1q56 s VAL 172 Ca -0.13 -1.37 -0.11 0.00 0.00 0.00 0.00 61.98 60.37 1q56 s VAL 172 Cb -0.06 -1.71 0.08 0.00 0.00 0.00 0.00 36.38 34.68 1q56 s VAL 172 CO 0.02 -0.54 0.86 0.47 0.00 0.00 0.00 175.10 175.91 1q56 n ASP 173 N 4.79 -3.62 -0.47 3.32 8.00 -0.95 -0.04 116.55 127.58 1q56 n ASP 173 Ca -0.03 -0.84 -0.05 0.00 0.71 0.00 0.00 54.79 54.58 1q56 n ASP 173 Cb 0.43 -3.67 -0.01 0.00 -0.02 0.00 0.00 41.12 37.85 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 -4.55 -0.36 -2.10 -1.24 3.00 -1.26 -5.04 116.66 105.11 1q56 n ARG 174 Ca -0.04 0.39 -0.10 0.00 -0.00 0.00 0.00 57.85 58.10 1q56 n ARG 174 Cb 0.56 -4.13 0.03 0.00 0.00 0.00 0.00 32.46 28.92 1q56 n ARG 174 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1q56 n GLN 175 N -1.96 0.87 0.00 -0.14 6.02 0.94 -4.83 117.38 118.29 1q56 n GLN 175 Ca -0.05 -1.54 0.00 0.00 -0.01 0.00 0.00 57.00 55.40 1q56 n GLN 175 Cb 0.40 -0.05 0.00 0.00 1.02 0.00 0.00 30.24 31.61 1q56 n GLN 175 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1q56 n GLU 176 N -1.50 0.00 0.00 -1.09 -0.58 -1.26 -3.15 120.64 113.05 1q56 n GLU 176 Ca 0.06 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.80 1q56 n GLU 176 Cb 0.29 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.16 1q56 n GLU 176 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1q56 n LEU 177 N 0.00 0.00 -4.56 -4.62 4.32 -1.12 -4.66 117.00 106.36 1q56 n LEU 177 Ca 0.00 0.00 -0.40 0.00 -0.02 0.00 0.00 56.01 55.59 1q56 n LEU 177 Cb 0.00 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 41.77 1q56 n LEU 177 CO 0.00 0.00 1.36 -1.00 -1.22 0.00 0.00 177.39 176.53 1q56 s HIS 178 N 0.00 2.06 0.08 -1.77 3.76 -1.26 -4.73 115.29 113.43 1q56 s HIS 178 Ca 0.00 0.45 -0.34 0.00 -0.15 0.00 0.00 55.06 55.02 1q56 s HIS 178 Cb 0.00 -4.34 -0.17 0.00 1.11 0.00 0.00 32.58 29.18 1q56 s HIS 178 CO 0.00 -2.16 1.59 -0.07 -0.85 0.00 0.00 174.74 173.25 1q56 h LEU 179 N 14.19 -1.11 -1.81 0.89 3.38 -1.93 -2.25 115.31 126.67 1q56 h LEU 179 Ca -0.27 0.07 0.26 0.00 0.09 0.00 0.00 57.88 58.03 1q56 h LEU 179 Cb 1.11 0.34 -0.05 0.00 0.09 0.00 0.00 40.66 42.15 1q56 h LEU 179 CO 1.21 -0.63 0.67 0.58 0.09 0.00 0.00 178.44 180.35 1q56 h VAL 180 N -0.99 0.55 0.36 1.22 2.07 -1.94 1.66 116.25 119.17 1q56 h VAL 180 Ca -0.07 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 1q56 h VAL 180 Cb 0.82 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 1q56 h VAL 180 CO 0.03 0.03 -0.17 -0.33 0.02 0.00 0.00 177.57 177.15 1q56 h GLU 181 N 0.14 -0.46 0.00 1.57 5.08 -1.80 -1.72 114.58 117.39 1q56 h GLU 181 Ca 0.48 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.87 1q56 h GLU 181 Cb 1.65 0.10 0.00 0.00 0.50 0.00 0.00 28.75 31.00 1q56 h GLU 181 CO -0.08 -0.25 -0.76 0.22 -1.00 0.00 0.00 179.01 177.14 1q56 h ASP 182 N -0.56 0.00 0.96 1.42 1.82 -1.25 -3.30 116.42 115.51 1q56 h ASP 182 Ca -0.05 -0.22 -0.07 0.00 -0.39 0.00 0.00 57.03 56.30 1q56 h ASP 182 Cb 0.42 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.42 1q56 h ASP 182 CO 0.08 0.11 -0.33 0.00 -1.61 0.00 0.00 179.24 177.50 1q56 h ALA 183 N 2.45 0.97 0.00 -0.78 0.00 0.25 -2.52 119.26 119.64 1q56 h ALA 183 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1q56 h ALA 183 Cb 0.77 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1q56 h ALA 183 CO 0.00 0.41 0.00 -0.07 0.00 0.00 0.00 179.25 179.59 1q56 h LEU 184 N 0.00 0.00 -2.57 0.00 4.07 -1.39 -1.02 115.31 114.41 1q56 h LEU 184 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1q56 h LEU 184 Cb 0.89 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.63 1q56 h LEU 184 CO 0.04 0.00 0.01 -1.13 -1.08 0.00 0.00 178.44 176.28 1q56 h ASN 185 N 0.00 0.00 -3.06 -0.43 -1.24 -1.67 -3.41 115.58 105.77 1q56 h ASN 185 Ca 0.00 0.00 -0.58 0.00 0.71 0.00 0.00 56.30 56.43 1q56 h ASN 185 Cb 0.10 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.12 1q56 h ASN 185 CO 0.00 0.00 -0.34 0.21 -1.29 0.00 0.00 177.43 176.01 1q56 s ASN 186 N -5.92 6.45 0.44 1.15 3.84 -0.39 -4.86 114.94 115.64 1q56 s ASN 186 Ca -0.05 0.50 -0.25 0.00 0.21 0.00 0.00 52.86 53.27 1q56 s ASN 186 Cb 0.15 -2.05 -0.08 0.00 -0.55 0.00 0.00 41.25 38.71 1q56 s ASN 186 CO 0.52 0.05 1.31 -2.16 -2.79 0.00 0.00 177.10 174.02 1q56 s PRO 187 N -2.79 3.80 0.23 0.43 0.04 -1.26 -4.78 135.00 130.66 1q56 s PRO 187 Ca 0.40 2.16 0.00 0.00 0.04 0.00 0.00 61.00 63.59 1q56 s PRO 187 Cb -0.12 -2.64 0.00 0.00 0.04 0.00 0.00 34.50 31.78 1q56 s PRO 187 CO 0.26 -0.63 0.00 2.41 0.04 0.00 0.00 177.00 179.08 1q56 n THR 188 N -0.14 0.00 -3.69 1.26 -1.04 -1.26 -4.89 114.28 104.52 1q56 n THR 188 Ca 0.05 0.18 -0.18 0.00 -2.04 0.00 0.00 64.05 62.06 1q56 n THR 188 Cb 0.44 -0.43 -0.17 0.00 -1.82 0.00 0.00 70.33 68.35 1q56 n THR 188 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1q56 s ILE 189 N -2.75 -0.14 0.25 12.58 -1.09 -1.26 -4.93 121.20 123.86 1q56 s ILE 189 Ca 0.00 0.37 0.09 0.00 -2.23 0.00 0.00 60.65 58.88 1q56 s ILE 189 Cb 0.00 -0.18 -0.04 0.00 -1.58 0.00 0.00 42.46 40.66 1q56 s ILE 189 CO 0.00 0.15 0.04 -0.76 -1.23 0.00 0.00 174.94 173.14 1q56 s LEU 190 N 1.99 3.34 0.12 2.97 1.43 -1.26 -5.08 118.68 122.18 1q56 s LEU 190 Ca 0.02 -0.53 0.07 0.00 -1.03 0.00 0.00 54.13 52.66 1q56 s LEU 190 Cb -0.12 -1.88 -0.04 0.00 0.03 0.00 0.00 46.19 44.18 1q56 s LEU 190 CO -0.04 0.01 -0.16 -1.00 0.23 0.00 0.00 176.35 175.38 1q56 s HIS 191 N -2.20 1.56 0.91 0.29 3.76 -1.26 -3.11 115.29 115.24 1q56 s HIS 191 Ca 0.31 -0.49 -0.12 0.00 -0.15 0.00 0.00 55.06 54.61 1q56 s HIS 191 Cb -0.07 -0.82 0.13 0.00 1.11 0.00 0.00 32.58 32.93 1q56 s HIS 191 CO 0.21 0.19 1.09 0.00 -0.85 0.00 0.00 174.74 175.39 1q56 s SER 193 N -3.49 1.90 -0.30 0.00 1.04 -1.26 -4.94 113.70 106.65 1q56 s SER 193 Ca 0.64 -1.27 0.05 0.00 0.48 0.00 0.00 55.95 55.85 1q56 s SER 193 Cb -0.18 0.00 0.21 0.00 0.10 0.00 0.00 66.02 66.15 1q56 s SER 193 CO 0.57 -0.55 1.15 0.00 0.98 0.00 0.00 173.24 175.38 1q56 n ALA 194 N -0.49 -0.37 -0.52 5.32 0.00 -1.26 -5.17 120.51 118.02 1q56 n ALA 194 Ca -0.04 -0.72 0.00 0.00 0.00 0.00 0.00 53.44 52.68 1q56 n ALA 194 Cb 0.65 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 19.19 1q56 n ALA 194 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86