#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 4.66 -0.04 1.61 0.15 -1.26 -4.94 113.70 113.88 1q56 s SER 2 Ca 0.00 -3.06 -0.03 0.00 0.70 0.00 0.00 55.95 53.56 1q56 s SER 2 Cb 0.00 -1.71 -0.01 0.00 -1.71 0.00 0.00 66.02 62.59 1q56 s SER 2 CO 0.00 -0.26 -0.06 1.21 1.20 0.00 0.00 173.24 175.34 1q56 n GLU 3 N 3.09 0.13 -0.57 5.44 2.13 -1.26 -5.06 120.64 124.54 1q56 n GLU 3 Ca 0.07 0.28 0.08 0.00 0.66 0.00 0.00 57.16 58.26 1q56 n GLU 3 Cb 0.34 -0.98 -0.02 0.00 0.27 0.00 0.00 31.44 31.05 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 -2.95 -1.16 -2.70 5.31 5.02 -1.26 -4.21 118.16 116.21 1q56 n LYS 4 Ca -0.02 0.76 -0.42 0.00 -2.02 0.00 0.00 58.31 56.61 1q56 n LYS 4 Cb 0.09 -1.41 -0.03 0.00 -0.02 0.00 0.00 35.03 33.65 1q56 n LYS 4 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1q56 s VAL 5 N -1.37 4.06 -0.03 -0.18 1.01 -1.26 -5.01 120.40 117.63 1q56 s VAL 5 Ca 0.00 0.24 -0.07 0.00 0.00 0.00 0.00 61.98 62.15 1q56 s VAL 5 Cb 0.00 -4.75 -0.05 0.00 0.00 0.00 0.00 36.38 31.58 1q56 s VAL 5 CO 0.00 -1.53 0.24 -0.51 0.00 0.00 0.00 175.10 173.31 1q56 s ILE 6 N 4.80 5.33 0.10 2.22 2.07 -1.26 -5.09 121.20 129.38 1q56 s ILE 6 Ca 0.32 0.23 -0.08 0.00 -1.41 0.00 0.00 60.65 59.71 1q56 s ILE 6 Cb -0.11 -3.54 -0.06 0.00 0.13 0.00 0.00 42.46 38.88 1q56 s ILE 6 CO 0.16 0.46 0.40 0.27 -1.91 0.00 0.00 174.94 174.31 1q56 s ILE 7 N -1.20 5.12 -0.35 2.00 -4.36 -1.26 -5.07 121.20 116.08 1q56 s ILE 7 Ca 0.24 0.31 -0.06 0.00 -0.26 0.00 0.00 60.65 60.88 1q56 s ILE 7 Cb -0.13 -3.63 0.05 0.00 1.25 0.00 0.00 42.46 39.99 1q56 s ILE 7 CO 0.13 0.19 0.12 -1.61 0.24 0.00 0.00 174.94 174.01 1q56 s GLU 8 N -2.19 2.56 0.16 0.37 0.41 -1.26 -5.06 118.70 113.69 1q56 s GLU 8 Ca 0.36 -1.25 -0.34 0.00 -0.41 0.00 0.00 54.97 53.33 1q56 s GLU 8 Cb -0.13 -3.47 -0.16 0.00 -1.78 0.00 0.00 34.13 28.59 1q56 s GLU 8 CO 0.20 -0.72 1.27 0.36 -0.49 0.00 0.00 175.26 175.89 1q56 n LYS 9 N 4.79 1.35 -3.65 1.61 2.85 -1.26 -4.93 118.16 118.92 1q56 n LYS 9 Ca -0.12 0.48 -0.38 0.00 -1.05 0.00 0.00 58.31 57.24 1q56 n LYS 9 Cb 0.44 -2.06 -0.12 0.00 -0.65 0.00 0.00 35.03 32.65 1q56 n LYS 9 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1q56 s ALA 10 N 0.08 3.33 -1.12 0.58 0.00 -1.26 -5.00 121.76 118.37 1q56 s ALA 10 Ca 0.76 -1.28 -0.23 0.00 0.00 0.00 0.00 51.96 51.22 1q56 s ALA 10 Cb -0.84 -2.37 -0.10 0.00 0.00 0.00 0.00 23.12 19.81 1q56 s ALA 10 CO 0.49 -0.76 1.93 0.00 0.00 0.00 0.00 175.76 177.43 1q56 n ALA 11 N 5.00 2.01 -2.77 0.00 0.00 -1.26 -4.91 120.51 118.58 1q56 n ALA 11 Ca -0.14 -3.05 -0.35 0.00 0.00 0.00 0.00 53.44 49.89 1q56 n ALA 11 Cb 0.50 -3.50 -0.08 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 6.28 2.02 0.17 0.00 0.00 -1.26 -4.96 107.32 109.56 1q56 s GLY 12 Ca 0.67 -0.70 0.00 0.00 0.00 0.00 0.00 44.72 44.69 1q56 s GLY 12 CO 0.14 0.03 0.00 1.22 0.00 0.00 0.00 173.10 174.49 1q56 n ASP 13 N 3.28 0.25 0.00 1.64 9.92 -1.26 -5.10 116.55 125.28 1q56 n ASP 13 Ca -0.17 0.29 0.00 0.00 -0.53 0.00 0.00 54.79 54.38 1q56 n ASP 13 Cb 0.52 0.10 0.00 0.00 -0.64 0.00 0.00 41.12 41.11 1q56 n ASP 13 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1q56 n ALA 14 N -3.28 0.00 -1.15 2.24 0.00 -1.26 -5.01 120.51 112.05 1q56 n ALA 14 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.26 1q56 n ALA 14 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.28 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 0.00 0.00 -2.96 0.00 0.28 -1.26 -4.81 120.64 111.89 1q56 n GLU 15 Ca 0.00 0.00 -0.40 0.00 -0.16 0.00 0.00 57.16 56.60 1q56 n GLU 15 Cb 0.00 -0.81 -0.05 0.00 1.43 0.00 0.00 31.44 32.01 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 0.69 3.40 -0.10 -1.84 0.00 -1.26 -4.77 121.76 117.87 1q56 s ALA 16 Ca 1.02 0.35 0.03 0.00 0.00 0.00 0.00 51.96 53.35 1q56 s ALA 16 Cb -0.68 -3.00 -0.01 0.00 0.00 0.00 0.00 23.12 19.43 1q56 s ALA 16 CO 0.43 0.17 -0.19 0.42 0.00 0.00 0.00 175.76 176.58 1q56 s ILE 17 N -0.57 2.49 -0.07 0.00 -1.09 -1.20 -1.96 121.20 118.81 1q56 s ILE 17 Ca 0.38 -0.87 -0.20 0.00 -2.23 0.00 0.00 60.65 57.73 1q56 s ILE 17 Cb -0.22 -1.99 -0.04 0.00 -1.58 0.00 0.00 42.46 38.63 1q56 s ILE 17 CO 0.25 0.55 0.55 0.00 -1.23 0.00 0.00 174.94 175.06 1q56 s ALA 18 N 0.22 3.46 0.54 9.38 0.00 -0.53 -2.86 121.76 131.97 1q56 s ALA 18 Ca -0.12 -0.07 0.09 0.00 0.00 0.00 0.00 51.96 51.86 1q56 s ALA 18 Cb -0.16 -2.72 0.07 0.00 0.00 0.00 0.00 23.12 20.30 1q56 s ALA 18 CO 0.07 0.05 0.70 -0.06 0.00 0.00 0.00 175.76 176.51 1q56 s PHE 19 N 0.35 1.68 0.00 0.00 0.40 0.60 -4.58 117.98 116.44 1q56 s PHE 19 Ca 0.29 -0.68 0.00 0.00 -0.60 0.00 0.00 56.93 55.94 1q56 s PHE 19 Cb -0.17 -2.19 0.00 0.00 0.51 0.00 0.00 43.02 41.17 1q56 s PHE 19 CO 0.14 -0.93 0.00 -0.40 0.70 0.00 0.00 175.22 174.73 1q56 n ASP 20 N -2.10 0.00 0.00 1.36 5.75 -1.17 -4.21 116.55 116.18 1q56 n ASP 20 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.90 1q56 n ASP 20 Cb 0.62 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.71 1q56 n ASP 20 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1q56 n GLY 21 N 0.00 1.19 0.03 6.12 0.00 0.51 -4.76 105.19 108.29 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 -0.84 0.69 -4.02 1.61 0.63 -1.23 0.22 116.66 113.73 1q56 n ARG 22 Ca 0.00 -0.79 -0.35 0.00 -0.92 0.00 0.00 57.85 55.79 1q56 n ARG 22 Cb 0.00 -0.63 -0.14 0.00 0.45 0.00 0.00 32.46 32.14 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 -0.28 3.23 -0.24 5.15 2.01 -1.26 -4.97 115.64 119.28 1q56 s THR 23 Ca 0.01 -0.55 -0.08 0.00 0.31 0.00 0.00 61.69 61.38 1q56 s THR 23 Cb 0.01 -2.45 -0.04 0.00 0.01 0.00 0.00 72.50 70.03 1q56 s THR 23 CO 0.00 0.45 0.10 -0.72 -0.69 0.00 0.00 174.62 173.75 1q56 s TYR 24 N 1.33 3.16 -0.37 4.92 -0.85 -1.26 -4.65 117.35 119.62 1q56 s TYR 24 Ca 0.04 -0.17 0.03 0.00 -0.52 0.00 0.00 57.07 56.45 1q56 s TYR 24 Cb -0.14 -2.24 0.11 0.00 0.38 0.00 0.00 41.96 40.07 1q56 s TYR 24 CO -0.03 -0.19 0.10 -1.64 -1.52 0.00 0.00 175.55 172.26 1q56 s MET 25 N 1.37 1.60 -0.01 -3.49 -1.94 -1.17 -4.90 119.30 110.76 1q56 s MET 25 Ca 0.06 -1.99 -0.01 0.00 -1.71 0.00 0.00 55.69 52.03 1q56 s MET 25 Cb -0.15 -3.26 -0.04 0.00 2.01 0.00 0.00 34.83 33.40 1q56 s MET 25 CO 0.05 -0.98 0.11 -1.83 -0.01 0.00 0.00 175.02 172.36 1q56 s GLU 26 N 0.73 3.18 -0.17 2.03 4.04 -1.26 -2.07 118.70 125.18 1q56 s GLU 26 Ca 0.12 -0.42 0.00 0.00 0.04 0.00 0.00 54.97 54.71 1q56 s GLU 26 Cb -0.20 -2.94 0.04 0.00 0.02 0.00 0.00 34.13 31.05 1q56 s GLU 26 CO -0.07 0.66 -0.10 0.71 -1.84 0.00 0.00 175.26 174.63 1q56 s TYR 27 N -1.21 2.08 -0.57 4.83 2.02 0.75 -4.57 117.35 120.69 1q56 s TYR 27 Ca 0.23 -1.29 -0.18 0.00 -0.37 0.00 0.00 57.07 55.46 1q56 s TYR 27 Cb -0.12 -1.51 0.12 0.00 -0.40 0.00 0.00 41.96 40.05 1q56 s TYR 27 CO 0.14 -0.67 0.62 -1.58 -1.57 0.00 0.00 175.55 172.49 1q56 s HIS 28 N 1.51 3.10 -0.05 2.71 5.65 -1.26 -2.66 115.29 124.29 1q56 s HIS 28 Ca 0.01 -1.10 -0.22 0.00 0.25 0.00 0.00 55.06 54.00 1q56 s HIS 28 Cb -0.15 -3.92 -0.04 0.00 -1.18 0.00 0.00 32.58 27.28 1q56 s HIS 28 CO -0.09 -1.18 0.65 -0.80 -0.65 0.00 0.00 174.74 172.68 1q56 s ASN 29 N 3.62 6.96 -0.84 9.88 -0.87 -1.22 -4.95 114.94 127.52 1q56 s ASN 29 Ca 0.08 1.15 -0.24 0.00 -1.57 0.00 0.00 52.86 52.29 1q56 s ASN 29 Cb -0.27 -2.39 0.06 0.00 -0.02 0.00 0.00 41.25 38.63 1q56 s ASN 29 CO 0.05 -0.05 1.24 0.00 -2.57 0.00 0.00 177.10 175.77 1q56 s ALA 30 N 0.51 2.91 0.38 0.60 0.00 -1.26 -4.51 121.76 120.39 1q56 s ALA 30 Ca 0.35 -1.96 0.14 0.00 0.00 0.00 0.00 51.96 50.49 1q56 s ALA 30 Cb -0.18 -4.23 0.80 0.00 0.00 0.00 0.00 23.12 19.52 1q56 s ALA 30 CO 0.17 -3.24 1.86 0.28 0.00 0.00 0.00 175.76 174.84 1q56 h VAL 31 N 6.23 1.20 -1.85 0.00 2.07 -1.88 -3.47 116.25 118.54 1q56 h VAL 31 Ca -0.07 -1.13 0.38 0.00 0.82 0.00 0.00 66.70 66.70 1q56 h VAL 31 Cb 1.04 1.62 -0.09 0.00 -1.52 0.00 0.00 31.29 32.34 1q56 h VAL 31 CO 1.28 0.32 0.96 0.28 0.02 0.00 0.00 177.57 180.43 1q56 s THR 32 N -4.26 0.00 -0.71 2.57 -1.32 -1.26 -5.04 115.64 105.63 1q56 s THR 32 Ca -0.03 -0.08 -0.26 0.00 -1.21 0.00 0.00 61.69 60.11 1q56 s THR 32 Cb 0.14 -2.74 -0.08 0.00 -1.51 0.00 0.00 72.50 68.31 1q56 s THR 32 CO 0.71 0.00 2.22 -1.59 -2.21 0.00 0.00 174.62 173.76 1q56 s LYS 33 N -2.05 2.09 -1.16 7.08 -2.85 -1.26 -3.87 119.74 117.72 1q56 s LYS 33 Ca 0.27 0.58 -0.20 0.00 -1.00 0.00 0.00 55.97 55.62 1q56 s LYS 33 Cb 0.01 -4.73 0.03 0.00 -2.06 0.00 0.00 37.83 31.08 1q56 s LYS 33 CO -0.03 -3.65 0.37 0.43 0.10 0.00 0.00 175.35 172.57 1q56 n SER 34 N 16.04 -1.92 -3.30 0.03 7.64 -1.26 -4.90 113.62 125.94 1q56 n SER 34 Ca 0.39 -1.13 -0.21 0.00 1.01 0.00 0.00 58.87 58.93 1q56 n SER 34 Cb 0.48 -1.37 -0.08 0.00 -1.01 0.00 0.00 64.21 62.23 1q56 n SER 34 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1q56 s GLU 35 N -7.05 0.79 -0.08 1.43 -6.30 -1.25 -5.12 118.70 101.12 1q56 s GLU 35 Ca 0.27 -1.44 0.04 0.00 -2.50 0.00 0.00 54.97 51.34 1q56 s GLU 35 Cb -0.15 -0.98 -0.00 0.00 0.00 0.00 0.00 34.13 32.99 1q56 s GLU 35 CO 0.86 -1.29 -0.21 0.15 0.02 0.00 0.00 175.26 174.78 1q56 s LYS 36 N 0.77 2.53 0.00 4.30 3.01 -1.26 -4.66 119.74 124.44 1q56 s LYS 36 Ca 0.25 -0.77 0.00 0.00 -1.01 0.00 0.00 55.97 54.44 1q56 s LYS 36 Cb -0.07 -2.01 0.00 0.00 -1.01 0.00 0.00 37.83 34.73 1q56 s LYS 36 CO -0.09 0.21 0.00 0.00 0.51 0.00 0.00 175.35 175.98 1q56 n ALA 37 N 3.38 0.00 -3.06 5.17 0.00 -1.26 -4.76 120.51 119.97 1q56 n ALA 37 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1q56 n ALA 37 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 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 0.00 0.00 0.00 -0.00 -1.26 -5.04 117.00 110.70 1q56 n LEU 38 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1q56 n LEU 38 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1q56 n LEU 38 CO 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 177.39 177.39 1q56 n GLN 39 N 0.00 3.25 -3.88 1.47 10.64 -1.26 -4.28 117.38 123.32 1q56 n GLN 39 Ca 0.00 0.00 -0.30 0.00 -1.83 0.00 0.00 57.00 54.87 1q56 n GLN 39 Cb 0.00 -0.27 -0.15 0.00 -0.86 0.00 0.00 30.24 28.95 1q56 n GLN 39 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.06 173.69 1q56 s SER 40 N -0.01 4.05 0.19 2.61 1.04 -1.26 -2.60 113.70 117.72 1q56 s SER 40 Ca 0.00 -1.51 -0.21 0.00 0.48 0.00 0.00 55.95 54.71 1q56 s SER 40 Cb 0.00 -1.15 -0.08 0.00 0.10 0.00 0.00 66.02 64.89 1q56 s SER 40 CO 0.00 -0.32 0.72 0.54 0.98 0.00 0.00 173.24 175.16 1q56 s ASN 41 N 1.38 7.15 -0.19 7.02 4.22 -1.11 -4.96 114.94 128.45 1q56 s ASN 41 Ca 0.03 1.47 -0.01 0.00 -2.14 0.00 0.00 52.86 52.20 1q56 s ASN 41 Cb -0.18 -2.44 0.05 0.00 1.28 0.00 0.00 41.25 39.97 1q56 s ASN 41 CO -0.12 0.11 -0.01 -1.00 -2.04 0.00 0.00 177.10 174.04 1q56 s HIS 42 N -1.37 1.51 -0.24 1.54 0.09 -1.26 -3.10 115.29 112.46 1q56 s HIS 42 Ca 0.39 -1.11 -0.00 0.00 -0.00 0.00 0.00 55.06 54.34 1q56 s HIS 42 Cb -0.19 -1.22 0.03 0.00 -0.00 0.00 0.00 32.58 31.20 1q56 s HIS 42 CO 0.22 -0.64 -0.10 -0.06 -0.00 0.00 0.00 174.74 174.17 1q56 s PHE 43 N 1.70 3.04 0.04 1.40 0.40 -0.54 -2.65 117.98 121.36 1q56 s PHE 43 Ca -0.02 -1.67 0.07 0.00 -0.60 0.00 0.00 56.93 54.71 1q56 s PHE 43 Cb -0.17 -2.01 -0.02 0.00 0.51 0.00 0.00 43.02 41.32 1q56 s PHE 43 CO -0.07 -0.76 -0.20 -1.21 0.70 0.00 0.00 175.22 173.67 1q56 s GLU 44 N 1.29 1.38 -0.29 0.44 8.01 -0.44 -0.92 118.70 128.17 1q56 s GLU 44 Ca -0.00 -0.91 -0.38 0.00 0.01 0.00 0.00 54.97 53.70 1q56 s GLU 44 Cb -0.16 -1.47 0.16 0.00 -4.31 0.00 0.00 34.13 28.34 1q56 s GLU 44 CO -0.06 0.38 1.38 -0.48 0.01 0.00 0.00 175.26 176.49 1q56 s LEU 45 N -1.10 -0.01 0.04 1.80 2.34 -0.60 -0.82 118.68 120.33 1q56 s LEU 45 Ca 0.07 0.00 0.05 0.00 0.06 0.00 0.00 54.13 54.32 1q56 s LEU 45 Cb -0.09 1.04 -0.02 0.00 -0.56 0.00 0.00 46.19 46.56 1q56 s LEU 45 CO 0.01 -0.02 -0.16 -0.44 -1.06 0.00 0.00 176.35 174.69 1q56 s SER 46 N -1.93 1.86 0.02 1.48 0.01 -1.01 0.12 113.70 114.25 1q56 s SER 46 Ca 0.12 -0.48 0.00 0.00 1.31 0.00 0.00 55.95 56.90 1q56 s SER 46 Cb -0.01 -0.13 -0.00 0.00 0.21 0.00 0.00 66.02 66.09 1q56 s SER 46 CO -0.03 0.06 0.00 2.30 0.41 0.00 0.00 173.24 175.99 1q56 n ILE 47 N 1.86 0.00 -3.79 1.44 -5.35 -0.96 -1.32 119.36 111.23 1q56 n ILE 47 Ca -0.18 -0.12 -0.13 0.00 -0.27 0.00 0.00 62.75 62.06 1q56 n ILE 47 Cb 0.54 0.03 -0.10 0.00 -1.74 0.00 0.00 39.64 38.38 1q56 n ILE 47 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 1q56 s LYS 48 N -2.08 0.51 0.25 6.28 2.20 0.96 -1.68 119.74 126.18 1q56 s LYS 48 Ca 0.00 -0.00 0.00 0.00 -0.36 0.00 0.00 55.97 55.61 1q56 s LYS 48 Cb 0.00 0.23 0.00 0.00 -1.51 0.00 0.00 37.83 36.55 1q56 s LYS 48 CO 0.00 -0.12 0.00 0.25 -0.36 0.00 0.00 175.35 175.13 1q56 n THR 49 N 1.94 0.00 0.00 3.43 -2.24 -1.25 0.15 114.28 116.31 1q56 n THR 49 Ca -0.18 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1q56 n THR 49 Cb 0.57 -0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.69 1q56 n THR 49 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1q56 n GLU 50 N -1.35 0.00 -0.62 -0.78 2.13 0.12 -4.36 120.64 115.79 1q56 n GLU 50 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1q56 n GLU 50 Cb 0.14 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.85 1q56 n GLU 50 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1q56 n ALA 51 N -0.02 0.00 0.00 4.31 0.00 -1.07 -3.56 120.51 120.17 1q56 n ALA 51 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1q56 n ALA 51 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 19.45 19.39 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 -2.00 0.00 -3.70 0.00 -2.24 -1.26 -4.91 114.28 100.17 1q56 n THR 52 Ca 0.00 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.63 1q56 n THR 52 Cb 0.00 0.00 -0.15 0.00 -2.10 0.00 0.00 70.33 68.08 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 0.07 0.00 -0.78 2.00 -1.24 -1.30 119.66 118.41 1q56 s GLN 53 Ca 0.00 0.51 0.00 0.00 -2.00 0.00 0.00 55.36 53.87 1q56 s GLN 53 Cb 0.00 -0.21 0.00 0.00 0.80 0.00 0.00 33.01 33.60 1q56 s GLN 53 CO 0.00 -0.25 0.00 0.41 -0.50 0.00 0.00 175.29 174.95 1q56 n GLY 54 N 4.86 3.30 3.84 2.59 0.00 -0.87 -4.67 105.19 114.23 1q56 n GLY 54 Ca -0.14 -0.15 -0.35 0.00 0.00 0.00 0.00 46.02 45.38 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 4.31 0.00 0.99 2.96 0.56 0.95 118.68 128.46 1q56 s LEU 55 Ca 0.00 1.12 0.04 0.00 -0.22 0.00 0.00 54.13 55.07 1q56 s LEU 55 Cb 0.00 -3.39 -0.00 0.00 0.50 0.00 0.00 46.19 43.29 1q56 s LEU 55 CO 0.00 0.06 0.42 -0.38 -1.32 0.00 0.00 176.35 175.13 1q56 n ILE 56 N 0.64 0.00 -3.56 6.68 5.41 0.90 0.25 119.36 129.68 1q56 n ILE 56 Ca -0.04 -0.46 -0.10 0.00 1.00 0.00 0.00 62.75 63.15 1q56 n ILE 56 Cb 0.52 1.05 -0.04 0.00 -0.71 0.00 0.00 39.64 40.45 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 -1.21 -0.37 -0.30 1.39 0.20 0.50 -0.60 118.68 118.30 1q56 s LEU 57 Ca 0.03 0.32 -0.08 0.00 0.69 0.00 0.00 54.13 55.10 1q56 s LEU 57 Cb 0.03 1.89 0.17 0.00 -0.43 0.00 0.00 46.19 47.85 1q56 s LEU 57 CO 0.10 -0.39 0.77 0.86 -0.29 0.00 0.00 176.35 177.41 1q56 s TRP 58 N -1.51 -1.16 0.01 5.38 -0.11 -1.16 -0.68 118.94 119.70 1q56 s TRP 58 Ca -0.00 1.50 0.08 0.00 1.22 0.00 0.00 56.10 58.90 1q56 s TRP 58 Cb -0.01 0.51 -0.02 0.00 -1.50 0.00 0.00 33.47 32.45 1q56 s TRP 58 CO -0.00 -0.62 -0.25 -1.54 -4.62 0.00 0.00 176.95 169.92 1q56 s SER 59 N 2.82 2.94 0.00 5.86 1.04 0.85 -2.36 113.70 124.85 1q56 s SER 59 Ca 0.07 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 56.00 1q56 s SER 59 Cb -0.12 -0.30 0.00 0.00 0.10 0.00 0.00 66.02 65.70 1q56 s SER 59 CO -0.18 0.28 0.00 0.61 0.98 0.00 0.00 173.24 174.93 1q56 n GLY 60 N 2.21 -0.30 1.87 7.32 0.00 -1.26 -3.07 105.19 111.96 1q56 n GLY 60 Ca -0.16 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.22 -1.14 0.00 1.61 3.00 -1.26 -4.70 118.16 114.44 1q56 n LYS 61 Ca 0.00 1.24 0.00 0.00 -0.00 0.00 0.00 58.31 59.55 1q56 n LYS 61 Cb 0.00 -2.36 0.00 0.00 0.00 0.00 0.00 35.03 32.67 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 0.26 0.97 2.04 3.14 0.00 -1.26 -4.75 105.19 105.58 1q56 n GLY 62 Ca -0.02 -0.48 -0.17 0.00 0.00 0.00 0.00 46.02 45.36 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 0.00 -1.21 0.99 4.77 -1.26 -5.00 117.00 115.29 1q56 n LEU 63 Ca 0.00 -1.71 -0.02 0.00 -0.03 0.00 0.00 56.01 54.25 1q56 n LEU 63 Cb 0.00 0.13 0.13 0.00 -2.33 0.00 0.00 43.42 41.35 1q56 n LEU 63 CO 0.00 -0.30 0.61 -0.62 -1.33 0.00 0.00 177.39 175.75 1q56 n GLU 64 N -0.85 2.15 -0.72 3.23 1.02 -1.26 -3.53 120.64 120.67 1q56 n GLU 64 Ca -0.09 -1.21 -0.03 0.00 -0.02 0.00 0.00 57.16 55.81 1q56 n GLU 64 Cb 0.35 -1.68 -0.03 0.00 -0.02 0.00 0.00 31.44 30.07 1q56 n GLU 64 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1q56 n ARG 65 N 0.10 0.00 0.00 3.49 0.63 -1.26 -5.13 116.66 114.49 1q56 n ARG 65 Ca 0.16 -0.47 0.00 0.00 -0.92 0.00 0.00 57.85 56.62 1q56 n ARG 65 Cb 0.75 0.19 0.00 0.00 0.45 0.00 0.00 32.46 33.85 1q56 n ARG 65 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 1q56 n SER 66 N 0.01 0.00 -4.32 6.15 3.41 -1.23 -5.01 113.62 112.62 1q56 n SER 66 Ca -0.11 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.14 1q56 n SER 66 Cb 0.60 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.61 1q56 n SER 66 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1q56 n ASP 67 N 0.00 -2.78 -3.94 4.04 9.92 -1.26 -4.96 116.55 117.57 1q56 n ASP 67 Ca 0.00 0.47 -0.31 0.00 -0.53 0.00 0.00 54.79 54.42 1q56 n ASP 67 Cb 0.00 -1.06 -0.15 0.00 -0.64 0.00 0.00 41.12 39.27 1q56 n ASP 67 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 1q56 s TYR 68 N -2.03 2.97 -0.33 1.24 2.02 -1.20 -4.70 117.35 115.32 1q56 s TYR 68 Ca 0.57 -2.42 -0.07 0.00 -0.37 0.00 0.00 57.07 54.78 1q56 s TYR 68 Cb -0.31 -2.31 0.03 0.00 -0.40 0.00 0.00 41.96 38.97 1q56 s TYR 68 CO 0.66 -0.90 0.11 -1.50 -1.57 0.00 0.00 175.55 172.36 1q56 s ILE 69 N 1.18 3.92 0.14 2.71 1.10 -1.18 -2.37 121.20 126.70 1q56 s ILE 69 Ca 0.06 -1.00 0.03 0.00 -0.51 0.00 0.00 60.65 59.23 1q56 s ILE 69 Cb -0.19 -3.17 -0.01 0.00 0.15 0.00 0.00 42.46 39.24 1q56 s ILE 69 CO -0.12 -0.13 0.10 0.00 -2.11 0.00 0.00 174.94 172.69 1q56 n ALA 70 N 4.85 0.28 -3.33 1.50 0.00 -1.11 -0.11 120.51 122.59 1q56 n ALA 70 Ca -0.13 -0.80 -0.06 0.00 0.00 0.00 0.00 53.44 52.45 1q56 n ALA 70 Cb 0.45 0.63 -0.07 0.00 0.00 0.00 0.00 19.45 20.47 1q56 n ALA 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1q56 s LEU 71 N 0.00 -0.80 0.42 0.00 1.43 0.14 -2.75 118.68 117.11 1q56 s LEU 71 Ca 0.15 0.44 0.03 0.00 -1.03 0.00 0.00 54.13 53.72 1q56 s LEU 71 Cb 0.01 1.37 -0.03 0.00 0.03 0.00 0.00 46.19 47.57 1q56 s LEU 71 CO 0.10 -0.29 0.08 0.00 0.23 0.00 0.00 176.35 176.48 1q56 s ALA 72 N 2.62 3.09 -0.01 4.21 0.00 -1.13 0.31 121.76 130.85 1q56 s ALA 72 Ca 0.13 -1.25 0.06 0.00 0.00 0.00 0.00 51.96 50.90 1q56 s ALA 72 Cb -0.15 0.55 -0.02 0.00 0.00 0.00 0.00 23.12 23.50 1q56 s ALA 72 CO -0.17 -0.25 -0.20 0.42 0.00 0.00 0.00 175.76 175.56 1q56 s ILE 73 N -3.13 1.60 -0.05 0.00 1.01 0.27 -1.51 121.20 119.39 1q56 s ILE 73 Ca 0.23 -0.88 -0.02 0.00 0.00 0.00 0.00 60.65 59.97 1q56 s ILE 73 Cb 0.04 -1.33 0.03 0.00 0.01 0.00 0.00 42.46 41.21 1q56 s ILE 73 CO 0.12 0.44 0.11 0.54 0.00 0.00 0.00 174.94 176.15 1q56 s VAL 74 N -0.49 -0.04 -1.31 2.92 0.11 0.34 -2.05 120.40 119.88 1q56 s VAL 74 Ca 0.08 0.14 0.00 0.00 -2.93 0.00 0.00 61.98 59.26 1q56 s VAL 74 Cb -0.08 -0.18 0.00 0.00 -1.53 0.00 0.00 36.38 34.59 1q56 s VAL 74 CO -0.01 0.06 0.00 0.47 -3.33 0.00 0.00 175.10 172.29 1q56 n ASP 75 N 3.87 -4.47 0.00 3.54 8.00 -0.42 -1.38 116.55 125.70 1q56 n ASP 75 Ca -0.23 0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.37 1q56 n ASP 75 Cb 0.53 -3.51 0.00 0.00 -0.02 0.00 0.00 41.12 38.13 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 -1.08 1.94 3.67 0.44 0.00 -0.52 -5.00 105.19 104.64 1q56 n GLY 76 Ca -0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 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 -3.36 2.97 0.00 1.61 0.40 -0.48 -2.97 117.98 116.16 1q56 s PHE 77 Ca 0.00 -0.03 0.00 0.00 -0.60 0.00 0.00 56.93 56.30 1q56 s PHE 77 Cb 0.00 -1.54 0.00 0.00 0.51 0.00 0.00 43.02 41.99 1q56 s PHE 77 CO 0.00 0.47 0.00 0.28 0.70 0.00 0.00 175.22 176.67 1q56 n VAL 78 N 0.66 0.00 0.00 -0.44 0.31 -1.26 0.13 118.33 117.72 1q56 n VAL 78 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 1q56 n VAL 78 Cb 0.52 -1.09 0.00 0.00 -0.91 0.00 0.00 33.84 32.36 1q56 n VAL 78 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1q56 n GLN 79 N -0.97 0.00 -3.25 5.55 10.64 -0.57 -1.87 117.38 126.90 1q56 n GLN 79 Ca 0.00 0.00 -0.39 0.00 -1.83 0.00 0.00 57.00 54.78 1q56 n GLN 79 Cb 0.00 0.00 -0.06 0.00 -0.86 0.00 0.00 30.24 29.32 1q56 n GLN 79 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.06 176.64 1q56 s MET 80 N 0.00 4.23 -0.15 2.61 -2.45 -1.13 -2.82 119.30 119.59 1q56 s MET 80 Ca 0.00 0.44 -0.01 0.00 -1.25 0.00 0.00 55.69 54.86 1q56 s MET 80 Cb 0.00 -3.53 -0.02 0.00 1.25 0.00 0.00 34.83 32.53 1q56 s MET 80 CO 0.00 -0.07 -0.10 0.00 1.05 0.00 0.00 175.02 175.90 1q56 s MET 81 N 1.38 3.46 -0.18 4.11 0.23 -1.11 -0.88 119.30 126.31 1q56 s MET 81 Ca 0.25 -0.64 0.00 0.00 -1.03 0.00 0.00 55.69 54.28 1q56 s MET 81 Cb -0.15 -2.75 0.01 0.00 -1.53 0.00 0.00 34.83 30.41 1q56 s MET 81 CO 0.10 0.18 -0.18 0.71 -2.03 0.00 0.00 175.02 173.80 1q56 s TYR 82 N 0.47 2.79 -0.36 3.16 2.02 -0.98 -2.76 117.35 121.69 1q56 s TYR 82 Ca -0.07 -1.45 0.11 0.00 -0.37 0.00 0.00 57.07 55.28 1q56 s TYR 82 Cb -0.15 -1.93 0.45 0.00 -0.40 0.00 0.00 41.96 39.93 1q56 s TYR 82 CO 0.04 -0.72 1.09 -3.47 -1.57 0.00 0.00 175.55 170.92 1q56 n ASP 83 N 4.51 3.63 -2.59 2.29 -0.08 -1.00 -0.91 116.55 122.40 1q56 n ASP 83 Ca -0.20 -3.29 -0.12 0.00 -1.51 0.00 0.00 54.79 49.67 1q56 n ASP 83 Cb 0.50 -0.45 -0.06 0.00 2.34 0.00 0.00 41.12 43.45 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 -0.45 3.41 0.00 -2.67 -0.00 -1.26 -3.21 117.00 112.82 1q56 n LEU 84 Ca 0.29 -2.21 0.00 0.00 -0.00 0.00 0.00 56.01 54.09 1q56 n LEU 84 Cb 0.78 -0.85 0.00 0.00 -0.00 0.00 0.00 43.42 43.35 1q56 n LEU 84 CO 0.30 0.57 0.00 0.61 -0.00 0.00 0.00 177.39 178.87 1q56 n GLY 85 N 3.14 -0.44 0.00 1.47 0.00 -1.26 -2.13 105.19 105.96 1q56 n GLY 85 Ca 0.29 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.63 1q56 n GLY 85 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1q56 n SER 86 N 0.00 0.00 -4.50 1.61 7.64 -1.26 -5.01 113.62 112.11 1q56 n SER 86 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.46 1q56 n SER 86 Cb 0.00 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.10 1q56 n SER 86 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1q56 s LYS 87 N -0.54 3.25 -0.30 1.43 -0.14 -1.26 -5.02 119.74 117.15 1q56 s LYS 87 Ca 0.00 -0.79 -0.29 0.00 -1.36 0.00 0.00 55.97 53.53 1q56 s LYS 87 Cb 0.00 -3.89 0.00 0.00 -1.68 0.00 0.00 37.83 32.26 1q56 s LYS 87 CO 0.00 -0.61 1.29 -1.25 -0.76 0.00 0.00 175.35 174.01 1q56 s PRO 88 N 1.76 3.92 -0.52 -1.68 0.04 -1.25 -4.25 135.00 133.02 1q56 s PRO 88 Ca 0.07 1.22 -0.20 0.00 0.04 0.00 0.00 61.00 62.13 1q56 s PRO 88 Cb -0.18 -3.87 0.06 0.00 0.04 0.00 0.00 34.50 30.55 1q56 s PRO 88 CO 0.11 -1.12 0.68 0.54 0.04 0.00 0.00 177.00 177.25 1q56 s VAL 89 N 4.34 4.80 -0.24 -0.36 0.11 -0.09 -4.77 120.40 124.19 1q56 s VAL 89 Ca 0.56 -0.41 -0.20 0.00 -2.93 0.00 0.00 61.98 59.00 1q56 s VAL 89 Cb -0.16 -4.35 -0.02 0.00 -1.53 0.00 0.00 36.38 30.32 1q56 s VAL 89 CO 0.23 -0.87 0.60 0.54 -3.33 0.00 0.00 175.10 172.27 1q56 s VAL 90 N 2.83 5.01 -0.82 2.04 0.11 -1.26 -2.32 120.40 126.00 1q56 s VAL 90 Ca 0.17 1.08 0.01 0.00 -2.93 0.00 0.00 61.98 60.31 1q56 s VAL 90 Cb -0.19 -3.91 0.23 0.00 -1.53 0.00 0.00 36.38 30.99 1q56 s VAL 90 CO 0.13 0.06 0.82 0.18 -3.33 0.00 0.00 175.10 172.96 1q56 n LEU 91 N 5.52 4.19 -4.19 2.54 4.77 -0.06 -4.90 117.00 124.87 1q56 n LEU 91 Ca -0.02 -5.24 -0.28 0.00 -0.03 0.00 0.00 56.01 50.44 1q56 n LEU 91 Cb 0.49 -0.95 0.27 0.00 -2.33 0.00 0.00 43.42 40.90 1q56 n LEU 91 CO 0.42 1.75 0.30 0.54 -1.33 0.00 0.00 177.39 179.08 1q56 n ARG 92 N 1.71 -4.28 -3.60 3.23 1.74 -1.26 -2.86 116.66 111.34 1q56 n ARG 92 Ca 0.24 -1.27 -0.20 0.00 -0.77 0.00 0.00 57.85 55.85 1q56 n ARG 92 Cb 0.37 -1.85 -0.02 0.00 -1.02 0.00 0.00 32.46 29.94 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 -2.83 5.36 -0.11 0.55 0.15 -0.78 -4.50 113.70 111.54 1q56 s SER 93 Ca 0.61 -0.51 0.15 0.00 0.70 0.00 0.00 55.95 56.90 1q56 s SER 93 Cb -0.12 -0.86 0.32 0.00 -1.71 0.00 0.00 66.02 63.65 1q56 s SER 93 CO 0.52 -0.49 1.22 0.41 1.20 0.00 0.00 173.24 176.10 1q56 n THR 94 N -1.52 1.79 -4.08 6.45 -1.04 -1.26 -4.80 114.28 109.82 1q56 n THR 94 Ca 0.01 -1.82 -0.13 0.00 -2.04 0.00 0.00 64.05 60.06 1q56 n THR 94 Cb 0.60 -0.05 -0.11 0.00 -1.82 0.00 0.00 70.33 68.94 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 -2.38 0.61 0.30 12.58 1.01 -1.26 -5.12 120.40 126.13 1q56 s VAL 95 Ca 0.29 -1.14 -0.29 0.00 0.00 0.00 0.00 61.98 60.84 1q56 s VAL 95 Cb 0.24 -0.70 -0.10 0.00 0.00 0.00 0.00 36.38 35.82 1q56 s VAL 95 CO 0.06 -0.39 1.27 -2.16 0.00 0.00 0.00 175.10 173.87 1q56 s PRO 96 N -1.70 4.42 0.00 2.72 0.04 -1.26 -4.78 135.00 134.44 1q56 s PRO 96 Ca -0.08 2.11 0.00 0.00 0.04 0.00 0.00 61.00 63.07 1q56 s PRO 96 Cb -0.09 -3.11 0.00 0.00 0.04 0.00 0.00 34.50 31.33 1q56 s PRO 96 CO 0.00 -0.12 0.00 1.51 0.04 0.00 0.00 177.00 178.44 1q56 n ILE 97 N 1.18 0.00 -0.77 0.56 3.06 -1.16 -4.79 119.36 117.44 1q56 n ILE 97 Ca 0.01 0.00 -0.07 0.00 -2.50 0.00 0.00 62.75 60.19 1q56 n ILE 97 Cb 0.42 -0.31 -0.07 0.00 0.54 0.00 0.00 39.64 40.22 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 -1.17 5.41 -0.52 9.51 0.23 -1.24 -3.92 115.26 123.55 1q56 n ASN 98 Ca 0.00 -2.51 0.06 0.00 -0.53 0.00 0.00 54.58 51.61 1q56 n ASN 98 Cb 0.20 -1.25 0.19 0.00 -2.08 0.00 0.00 39.78 36.83 1q56 n ASN 98 CO 0.00 0.00 0.00 0.41 -0.93 0.00 0.00 177.26 176.74 1q56 n THR 99 N 1.83 2.15 -3.59 5.53 -1.04 -1.26 -4.59 114.28 113.31 1q56 n THR 99 Ca 0.22 -2.60 -0.23 0.00 -2.04 0.00 0.00 64.05 59.39 1q56 n THR 99 Cb 0.68 -0.26 0.08 0.00 -1.82 0.00 0.00 70.33 69.02 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 -1.16 -5.86 -4.07 8.00 5.15 -1.26 -4.82 115.26 111.25 1q56 n ASN 100 Ca 0.20 -0.56 -0.22 0.00 -0.60 0.00 0.00 54.58 53.41 1q56 n ASN 100 Cb 0.75 -5.01 -0.15 0.00 -0.53 0.00 0.00 39.78 34.84 1q56 n ASN 100 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 1q56 s HIS 101 N -3.33 1.19 -0.78 1.20 3.76 -1.26 -4.68 115.29 111.39 1q56 s HIS 101 Ca 0.52 -0.27 -0.26 0.00 -0.15 0.00 0.00 55.06 54.90 1q56 s HIS 101 Cb -0.23 -0.80 -0.12 0.00 1.11 0.00 0.00 32.58 32.54 1q56 s HIS 101 CO 0.73 -0.07 2.32 -1.58 -0.85 0.00 0.00 174.74 175.29 1q56 s TRP 102 N -0.07 1.25 0.85 1.40 0.23 -1.23 -4.27 118.94 117.10 1q56 s TRP 102 Ca 0.01 1.72 -0.13 0.00 -2.03 0.00 0.00 56.10 55.67 1q56 s TRP 102 Cb -0.07 -3.56 0.12 0.00 0.03 0.00 0.00 33.47 29.98 1q56 s TRP 102 CO 0.00 -1.69 1.21 0.99 0.96 0.00 0.00 176.95 178.42 1q56 s THR 103 N 13.74 2.02 -0.25 2.01 2.01 -0.68 -4.78 115.64 129.72 1q56 s THR 103 Ca 0.89 -0.03 -0.01 0.00 0.31 0.00 0.00 61.69 62.85 1q56 s THR 103 Cb -0.12 -2.99 0.07 0.00 0.01 0.00 0.00 72.50 69.47 1q56 s THR 103 CO 0.08 0.00 0.02 -2.28 -0.69 0.00 0.00 174.62 171.76 1q56 s HIS 104 N -3.64 1.84 -0.11 4.92 2.46 -1.26 -2.27 115.29 117.22 1q56 s HIS 104 Ca 0.66 -1.53 -0.11 0.00 0.47 0.00 0.00 55.06 54.55 1q56 s HIS 104 Cb -0.09 -1.52 -0.05 0.00 -0.13 0.00 0.00 32.58 30.80 1q56 s HIS 104 CO 0.50 -0.76 0.23 0.42 -2.47 0.00 0.00 174.74 172.66 1q56 s ILE 105 N 1.58 5.34 0.06 0.89 1.09 0.33 0.25 121.20 130.75 1q56 s ILE 105 Ca 0.01 0.42 0.01 0.00 -1.10 0.00 0.00 60.65 60.00 1q56 s ILE 105 Cb -0.18 -3.53 -0.03 0.00 -1.06 0.00 0.00 42.46 37.66 1q56 s ILE 105 CO -0.12 0.54 -0.06 -0.75 -0.10 0.00 0.00 174.94 174.45 1q56 s LYS 106 N -0.54 0.64 -0.21 2.79 2.47 0.60 -1.55 119.74 123.94 1q56 s LYS 106 Ca 0.16 -1.06 -0.09 0.00 -1.56 0.00 0.00 55.97 53.43 1q56 s LYS 106 Cb -0.13 -0.11 0.09 0.00 -1.46 0.00 0.00 37.83 36.22 1q56 s LYS 106 CO 0.05 -0.02 0.47 0.00 0.16 0.00 0.00 175.35 176.01 1q56 s ALA 107 N -2.77 -1.30 -0.21 3.13 0.00 -0.10 -0.68 121.76 119.83 1q56 s ALA 107 Ca 0.01 1.69 0.00 0.00 0.00 0.00 0.00 51.96 53.66 1q56 s ALA 107 Cb -0.00 -1.29 0.05 0.00 0.00 0.00 0.00 23.12 21.87 1q56 s ALA 107 CO -0.04 -0.63 -0.06 1.52 0.00 0.00 0.00 175.76 176.55 1q56 s TYR 108 N 2.28 2.23 0.20 0.00 -0.85 -1.02 -1.46 117.35 118.72 1q56 s TYR 108 Ca -0.05 -1.56 0.11 0.00 -0.52 0.00 0.00 57.07 55.05 1q56 s TYR 108 Cb -0.11 -1.53 -0.04 0.00 0.38 0.00 0.00 41.96 40.66 1q56 s TYR 108 CO -0.14 -0.73 -0.23 0.50 -1.52 0.00 0.00 175.55 173.43 1q56 s ARG 109 N 1.45 1.51 -0.37 -3.49 3.00 -1.18 -1.79 118.95 118.08 1q56 s ARG 109 Ca -0.03 -1.53 0.01 0.00 -1.00 0.00 0.00 55.73 53.18 1q56 s ARG 109 Cb -0.17 -1.78 0.11 0.00 0.00 0.00 0.00 34.95 33.11 1q56 s ARG 109 CO -0.07 0.38 0.15 0.08 0.00 0.00 0.00 175.30 175.84 1q56 s VAL 110 N -1.78 1.38 0.00 7.11 1.01 0.32 -2.75 120.40 125.69 1q56 s VAL 110 Ca 0.21 -2.08 0.00 0.00 0.00 0.00 0.00 61.98 60.11 1q56 s VAL 110 Cb -0.07 -2.00 0.00 0.00 0.00 0.00 0.00 36.38 34.30 1q56 s VAL 110 CO 0.10 -0.75 0.00 0.00 0.00 0.00 0.00 175.10 174.44 1q56 n GLN 111 N 4.17 -1.53 0.00 2.72 6.02 -1.07 -2.91 117.38 124.78 1q56 n GLN 111 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 1q56 n GLN 111 Cb 0.39 -3.11 0.00 0.00 1.02 0.00 0.00 30.24 28.54 1q56 n GLN 111 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 1q56 n ARG 112 N -1.24 0.00 -3.46 -1.09 0.63 -1.26 -4.82 116.66 105.42 1q56 n ARG 112 Ca 0.00 0.00 -0.39 0.00 -0.92 0.00 0.00 57.85 56.54 1q56 n ARG 112 Cb 0.17 0.00 -0.10 0.00 0.45 0.00 0.00 32.46 32.98 1q56 n ARG 112 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 1q56 s GLU 113 N 0.00 3.79 0.20 -0.14 -6.30 -1.15 -0.78 118.70 114.33 1q56 s GLU 113 Ca 0.00 -0.28 0.06 0.00 -2.50 0.00 0.00 54.97 52.25 1q56 s GLU 113 Cb 0.00 -3.72 -0.04 0.00 0.00 0.00 0.00 34.13 30.37 1q56 s GLU 113 CO 0.00 -0.36 0.19 0.20 0.02 0.00 0.00 175.26 175.32 1q56 s GLY 114 N 1.71 1.55 0.09 -1.50 0.00 0.27 -0.52 107.32 108.92 1q56 s GLY 114 Ca 0.11 -1.28 0.02 0.00 0.00 0.00 0.00 44.72 43.57 1q56 s GLY 114 CO 0.11 -1.31 -0.07 -0.45 0.00 0.00 0.00 173.10 171.38 1q56 s SER 115 N -3.48 1.10 0.05 1.64 0.15 -0.74 -0.71 113.70 111.71 1q56 s SER 115 Ca 0.32 -0.90 0.01 0.00 0.70 0.00 0.00 55.95 56.09 1q56 s SER 115 Cb -0.09 0.08 -0.03 0.00 -1.71 0.00 0.00 66.02 64.27 1q56 s SER 115 CO 0.25 -0.40 -0.06 -0.22 1.20 0.00 0.00 173.24 174.01 1q56 s LEU 116 N -2.70 2.33 -0.27 3.45 1.98 -0.14 -2.44 118.68 120.90 1q56 s LEU 116 Ca 0.07 -0.68 -0.14 0.00 -2.89 0.00 0.00 54.13 50.49 1q56 s LEU 116 Cb 0.02 -0.05 0.09 0.00 0.66 0.00 0.00 46.19 46.90 1q56 s LEU 116 CO -0.03 -0.32 0.64 -1.58 -1.89 0.00 0.00 176.35 173.16 1q56 s GLN 117 N -2.26 0.63 -0.62 1.98 0.74 0.14 -0.51 119.66 119.76 1q56 s GLN 117 Ca -0.05 1.20 -0.20 0.00 0.05 0.00 0.00 55.36 56.36 1q56 s GLN 117 Cb -0.05 0.24 0.09 0.00 1.10 0.00 0.00 33.01 34.39 1q56 s GLN 117 CO -0.02 -0.16 0.81 0.14 -0.55 0.00 0.00 175.29 175.50 1q56 s VAL 118 N 1.83 4.62 -0.75 1.34 -7.23 -1.24 -0.29 120.40 118.68 1q56 s VAL 118 Ca -0.09 -0.72 -0.04 0.00 -1.81 0.00 0.00 61.98 59.32 1q56 s VAL 118 Cb -0.07 -4.56 0.00 0.00 0.56 0.00 0.00 36.38 32.31 1q56 s VAL 118 CO -0.19 -1.25 0.65 0.61 -0.31 0.00 0.00 175.10 174.61 1q56 n GLY 119 N 5.30 0.07 2.63 2.32 0.00 0.70 -2.86 105.19 113.35 1q56 n GLY 119 Ca -0.07 -0.15 -0.20 0.00 0.00 0.00 0.00 46.02 45.60 1q56 n GLY 119 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1q56 n ASN 120 N -1.36 -5.56 -5.00 1.61 3.02 -1.26 -4.98 115.26 101.74 1q56 n ASN 120 Ca -0.04 -0.08 -0.18 0.00 -0.03 0.00 0.00 54.58 54.25 1q56 n ASN 120 Cb 0.55 -4.60 0.00 0.00 -0.61 0.00 0.00 39.78 35.12 1q56 n ASN 120 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1q56 s GLU 121 N -5.28 3.01 0.00 3.52 2.12 -1.13 -4.89 118.70 116.05 1q56 s GLU 121 Ca 0.10 -1.10 0.00 0.00 0.36 0.00 0.00 54.97 54.33 1q56 s GLU 121 Cb -0.05 -2.79 0.00 0.00 0.26 0.00 0.00 34.13 31.55 1q56 s GLU 121 CO 0.13 -0.06 0.00 0.00 -0.54 0.00 0.00 175.26 174.79 1q56 n ALA 122 N -1.71 0.00 -2.12 6.30 0.00 -1.26 -4.34 120.51 117.38 1q56 n ALA 122 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.05 1q56 n ALA 122 Cb 0.58 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.00 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 0.00 4.34 -0.53 0.00 0.04 -1.26 -4.75 135.00 132.85 1q56 s PRO 123 Ca 0.00 2.07 -0.20 0.00 0.04 0.00 0.00 61.00 62.91 1q56 s PRO 123 Cb 0.00 -3.23 0.06 0.00 0.04 0.00 0.00 34.50 31.37 1q56 s PRO 123 CO 0.00 -0.38 0.71 0.42 0.04 0.00 0.00 177.00 177.79 1q56 s ILE 124 N 0.79 4.75 0.29 0.56 1.09 0.33 -4.80 121.20 124.21 1q56 s ILE 124 Ca 0.62 -0.37 0.11 0.00 -1.10 0.00 0.00 60.65 59.91 1q56 s ILE 124 Cb -0.37 -4.38 -0.05 0.00 -1.06 0.00 0.00 42.46 36.60 1q56 s ILE 124 CO 0.33 -0.92 -0.14 0.42 -0.10 0.00 0.00 174.94 174.53 1q56 s THR 125 N 2.96 2.62 0.26 2.92 -4.23 -1.26 -0.96 115.64 117.95 1q56 s THR 125 Ca 0.18 -2.27 -0.21 0.00 -1.18 0.00 0.00 61.69 58.21 1q56 s THR 125 Cb -0.18 -2.47 0.05 0.00 1.34 0.00 0.00 72.50 71.23 1q56 s THR 125 CO 0.13 -0.36 0.84 -0.83 -0.54 0.00 0.00 174.62 173.86 1q56 s GLY 126 N -3.56 0.01 0.14 3.99 0.00 0.11 -4.98 107.32 103.02 1q56 s GLY 126 Ca 0.31 -0.31 -0.17 0.00 0.00 0.00 0.00 44.72 44.55 1q56 s GLY 126 CO 0.16 0.17 0.44 -0.56 0.00 0.00 0.00 173.10 173.31 1q56 s SER 127 N -3.02 -0.28 0.27 1.64 0.01 -1.26 0.97 113.70 112.02 1q56 s SER 127 Ca 0.14 -0.30 0.07 0.00 1.31 0.00 0.00 55.95 57.17 1q56 s SER 127 Cb -0.04 0.50 -0.03 0.00 0.21 0.00 0.00 66.02 66.66 1q56 s SER 127 CO 0.07 -0.89 0.22 -0.44 0.41 0.00 0.00 173.24 172.60 1q56 s SER 128 N -2.81 5.51 0.59 2.44 0.01 0.04 -4.91 113.70 114.58 1q56 s SER 128 Ca 0.04 -0.28 0.37 0.00 1.31 0.00 0.00 55.95 57.38 1q56 s SER 128 Cb 0.01 -1.34 1.83 0.00 0.21 0.00 0.00 66.02 66.73 1q56 s SER 128 CO -0.11 -0.09 2.17 1.55 0.41 0.00 0.00 173.24 177.17 1q56 h PRO 129 N 1.44 0.00 0.00 12.44 0.13 -1.95 -3.44 132.00 140.62 1q56 h PRO 129 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1q56 h PRO 129 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1q56 h PRO 129 CO 0.60 0.03 0.00 1.47 -0.23 0.00 0.00 178.00 179.87 1q56 n LEU 130 N -3.24 0.00 0.00 1.56 -0.00 -1.26 -5.09 117.00 108.97 1q56 n LEU 130 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.99 1q56 n LEU 130 Cb 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.61 1q56 n LEU 130 CO 0.25 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.25 1q56 n GLY 131 N 0.00 3.27 3.20 1.47 0.00 -1.26 -4.65 105.19 107.24 1q56 n GLY 131 Ca 0.00 -0.46 -0.04 0.00 0.00 0.00 0.00 46.02 45.52 1q56 n GLY 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q56 s ALA 132 N 0.00 -1.63 0.04 4.61 0.00 -0.90 -4.51 121.76 119.37 1q56 s ALA 132 Ca 0.00 1.59 -0.26 0.00 0.00 0.00 0.00 51.96 53.30 1q56 s ALA 132 Cb 0.00 -1.76 -0.14 0.00 0.00 0.00 0.00 23.12 21.22 1q56 s ALA 132 CO 0.00 -1.10 1.39 1.79 0.00 0.00 0.00 175.76 177.84 1q56 h THR 133 N 6.09 0.00 -3.33 0.00 1.35 -1.92 -3.32 112.91 111.78 1q56 h THR 133 Ca -0.19 0.00 -0.80 0.00 -0.55 0.00 0.00 66.41 64.87 1q56 h THR 133 Cb 1.14 0.00 -0.28 0.00 -1.73 0.00 0.00 68.15 67.27 1q56 h THR 133 CO 0.20 0.00 0.54 0.00 -0.25 0.00 0.00 175.52 176.01 1q56 n GLN 134 N -4.49 3.81 -2.19 4.72 6.02 -1.26 -4.79 117.38 119.21 1q56 n GLN 134 Ca -0.11 -4.49 -0.43 0.00 -0.01 0.00 0.00 57.00 51.95 1q56 n GLN 134 Cb 0.36 -2.53 -0.02 0.00 1.02 0.00 0.00 30.24 29.07 1q56 n GLN 134 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1q56 s LEU 135 N -1.79 3.70 -0.06 1.08 2.96 -1.25 -4.81 118.68 118.52 1q56 s LEU 135 Ca 0.31 1.27 -0.30 0.00 -0.22 0.00 0.00 54.13 55.19 1q56 s LEU 135 Cb -0.05 -3.53 -0.02 0.00 0.50 0.00 0.00 46.19 43.08 1q56 s LEU 135 CO -0.02 -1.40 1.03 -1.81 -1.32 0.00 0.00 176.35 172.83 1q56 s ASP 136 N 4.45 7.26 -0.25 3.68 1.01 -1.26 -4.36 116.67 127.20 1q56 s ASP 136 Ca 0.69 1.63 -0.02 0.00 0.71 0.00 0.00 52.55 55.56 1q56 s ASP 136 Cb -0.20 -2.56 0.13 0.00 1.01 0.00 0.00 42.92 41.30 1q56 s ASP 136 CO 0.31 -0.40 0.33 0.42 0.21 0.00 0.00 175.17 176.03 1q56 s THR 137 N 1.66 -0.49 0.00 -1.27 -4.23 -1.26 -4.67 115.64 105.37 1q56 s THR 137 Ca 0.51 -0.23 0.00 0.00 -1.18 0.00 0.00 61.69 60.79 1q56 s THR 137 Cb -0.20 -0.86 0.00 0.00 1.34 0.00 0.00 72.50 72.78 1q56 s THR 137 CO 0.22 -0.26 0.00 -0.90 -0.54 0.00 0.00 174.62 173.14 1q56 n ASP 138 N 5.34 0.00 -0.45 3.99 5.68 -1.26 -4.97 116.55 124.88 1q56 n ASP 138 Ca -0.03 0.00 0.38 0.00 -0.50 0.00 0.00 54.79 54.64 1q56 n ASP 138 Cb 0.49 0.00 0.70 0.00 -1.14 0.00 0.00 41.12 41.17 1q56 n ASP 138 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1q56 h GLY 139 N 0.00 0.60 -3.72 6.12 0.00 -1.91 -3.40 103.07 100.76 1q56 h GLY 139 Ca 0.00 -0.07 -0.03 0.00 0.00 0.00 0.00 47.33 47.23 1q56 h GLY 139 CO 0.00 -0.15 0.24 0.00 0.00 0.00 0.00 176.54 176.63 1q56 s ALA 140 N -5.12 -1.74 0.01 3.60 0.00 -1.26 -3.43 121.76 113.82 1q56 s ALA 140 Ca -0.06 1.09 -0.23 0.00 0.00 0.00 0.00 51.96 52.76 1q56 s ALA 140 Cb 0.26 0.22 0.05 0.00 0.00 0.00 0.00 23.12 23.65 1q56 s ALA 140 CO 0.83 -0.49 0.51 -1.17 0.00 0.00 0.00 175.76 175.44 1q56 s LEU 141 N -1.69 -0.01 0.30 0.00 2.96 -1.09 -4.52 118.68 114.64 1q56 s LEU 141 Ca -0.06 0.27 0.11 0.00 -0.22 0.00 0.00 54.13 54.23 1q56 s LEU 141 Cb -0.00 2.04 -0.05 0.00 0.50 0.00 0.00 46.19 48.67 1q56 s LEU 141 CO 0.02 -0.64 -0.11 0.26 -1.32 0.00 0.00 176.35 174.55 1q56 s TRP 142 N -1.96 2.42 -0.25 5.38 0.52 -1.00 -0.18 118.94 123.88 1q56 s TRP 142 Ca -0.08 -0.37 -0.03 0.00 0.02 0.00 0.00 56.10 55.64 1q56 s TRP 142 Cb -0.01 -1.19 0.14 0.00 -1.15 0.00 0.00 33.47 31.26 1q56 s TRP 142 CO 0.02 0.64 0.42 -1.17 0.02 0.00 0.00 176.95 176.88 1q56 s LEU 143 N -3.59 -0.76 0.00 2.99 1.98 -0.88 -3.00 118.68 115.43 1q56 s LEU 143 Ca 0.32 0.44 0.00 0.00 -2.89 0.00 0.00 54.13 51.99 1q56 s LEU 143 Cb -0.03 1.32 0.00 0.00 0.66 0.00 0.00 46.19 48.14 1q56 s LEU 143 CO 0.17 -0.28 0.00 0.61 -1.89 0.00 0.00 176.35 174.95 1q56 n GLY 144 N 5.38 1.28 0.00 7.98 0.00 0.23 -3.03 105.19 117.03 1q56 n GLY 144 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.40 3.56 -0.02 0.00 -1.14 0.77 105.19 107.95 1q56 n GLY 145 Ca 0.00 -0.52 -0.10 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.00 0.66 0.00 1.61 -1.94 -1.26 -4.50 119.30 111.87 1q56 s MET 146 Ca 0.00 0.05 0.23 0.00 -1.71 0.00 0.00 55.69 54.26 1q56 s MET 146 Cb 0.00 0.31 0.07 0.00 2.01 0.00 0.00 34.83 37.22 1q56 s MET 146 CO 0.00 -0.23 1.11 -1.91 -0.01 0.00 0.00 175.02 173.98 1q56 n GLU 147 N 0.52 0.22 -2.81 2.03 2.13 -1.26 -4.32 120.64 117.14 1q56 n GLU 147 Ca -0.10 -0.17 -0.11 0.00 0.66 0.00 0.00 57.16 57.44 1q56 n GLU 147 Cb 0.59 -1.50 0.02 0.00 0.27 0.00 0.00 31.44 30.82 1q56 n GLU 147 CO 0.00 0.00 0.00 2.89 -0.41 0.00 0.00 177.13 179.61 1q56 n ARG 148 N -1.25 1.09 -0.17 5.31 -4.01 -1.26 -5.00 116.66 111.38 1q56 n ARG 148 Ca 0.06 -3.17 -0.04 0.00 -1.04 0.00 0.00 57.85 53.65 1q56 n ARG 148 Cb 0.35 -1.30 -0.01 0.00 -3.04 0.00 0.00 32.46 28.46 1q56 n ARG 148 CO 0.00 0.00 0.00 1.28 -3.04 0.00 0.00 177.63 175.87 1q56 n LEU 149 N 0.01 1.10 0.31 2.89 4.77 -1.26 -4.32 117.00 120.50 1q56 n LEU 149 Ca 0.13 -1.31 0.19 0.00 -0.03 0.00 0.00 56.01 54.99 1q56 n LEU 149 Cb 0.77 -0.52 1.06 0.00 -2.33 0.00 0.00 43.42 42.40 1q56 n LEU 149 CO 0.23 -0.61 1.16 0.77 -1.33 0.00 0.00 177.39 177.60 1q56 h SER 150 N 7.01 0.00 0.00 -1.43 4.64 -1.97 -3.37 113.55 118.43 1q56 h SER 150 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1q56 h SER 150 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1q56 h SER 150 CO 0.93 0.00 0.00 0.55 -0.87 0.00 0.00 176.83 177.44 1q56 n VAL 151 N -3.43 0.00 -3.60 0.95 3.14 -1.26 -4.79 118.33 109.33 1q56 n VAL 151 Ca -0.03 0.00 -0.20 0.00 -2.96 0.00 0.00 64.34 61.15 1q56 n VAL 151 Cb 0.11 0.00 0.05 0.00 -1.06 0.00 0.00 33.84 32.94 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 -2.05 -1.00 1.55 0.00 -1.26 -4.96 120.51 109.78 1q56 n ALA 152 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1q56 n ALA 152 Cb 0.00 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.15 1q56 n ALA 152 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1q56 n HIS 153 N -4.18 0.00 0.91 0.00 1.44 -1.26 -4.23 115.22 107.90 1q56 n HIS 153 Ca -0.28 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.43 1q56 n HIS 153 Cb 0.67 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.78 1q56 n HIS 153 CO 0.00 0.00 0.00 0.36 -2.81 0.00 0.00 176.34 173.89 1q56 n LYS 154 N 0.00 0.78 -3.64 -1.40 2.85 -1.26 -4.83 118.16 110.66 1q56 n LYS 154 Ca 0.00 0.00 -0.37 0.00 -1.05 0.00 0.00 58.31 56.89 1q56 n LYS 154 Cb 0.00 -1.32 -0.06 0.00 -0.65 0.00 0.00 35.03 33.00 1q56 n LYS 154 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 1q56 s LEU 155 N -0.18 4.43 0.00 -5.58 0.20 -1.26 -5.09 118.68 111.20 1q56 s LEU 155 Ca 0.00 0.76 0.00 0.00 0.69 0.00 0.00 54.13 55.58 1q56 s LEU 155 Cb 0.00 -2.50 0.00 0.00 -0.43 0.00 0.00 46.19 43.26 1q56 s LEU 155 CO 0.00 0.32 0.00 -0.81 -0.29 0.00 0.00 176.35 175.57 1q56 n PRO 156 N 1.68 2.11 0.01 0.98 -0.04 -1.26 -4.68 135.00 133.81 1q56 n PRO 156 Ca -0.15 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.33 1q56 n PRO 156 Cb 0.53 0.00 0.06 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 0.00 0.01 -0.47 0.54 5.02 -1.26 -3.15 118.16 118.86 1q56 n LYS 157 Ca 0.00 0.50 0.39 0.00 -2.02 0.00 0.00 58.31 57.18 1q56 n LYS 157 Cb 0.00 -1.54 0.67 0.00 -0.02 0.00 0.00 35.03 34.14 1q56 n LYS 157 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1q56 h ALA 158 N 2.02 2.86 0.03 7.82 0.00 -1.83 2.08 119.26 132.24 1q56 h ALA 158 Ca 0.00 0.10 -0.28 0.00 0.00 0.00 0.00 54.91 54.73 1q56 h ALA 158 Cb 0.01 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1q56 h ALA 158 CO 0.00 -1.49 -1.54 1.88 0.00 0.00 0.00 179.25 178.10 1q56 h TYR 159 N 0.06 0.13 0.00 0.00 0.05 -1.83 1.66 116.97 117.04 1q56 h TYR 159 Ca 0.84 -0.10 0.00 0.00 0.05 0.00 0.00 58.73 59.52 1q56 h TYR 159 Cb 2.72 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 40.45 1q56 h TYR 159 CO -0.00 1.14 0.00 0.43 -1.05 0.00 0.00 178.16 178.68 1q56 n SER 160 N -3.23 0.00 -3.90 3.88 7.64 0.63 -4.08 113.62 114.56 1q56 n SER 160 Ca -0.14 0.03 -0.30 0.00 1.01 0.00 0.00 58.87 59.47 1q56 n SER 160 Cb 1.03 -0.29 -0.14 0.00 -1.01 0.00 0.00 64.21 63.79 1q56 n SER 160 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1q56 s THR 161 N -2.59 2.31 -0.36 0.44 2.01 0.31 -4.91 115.64 112.86 1q56 s THR 161 Ca 0.18 -3.12 -0.29 0.00 0.31 0.00 0.00 61.69 58.76 1q56 s THR 161 Cb 0.13 -2.61 -0.08 0.00 0.01 0.00 0.00 72.50 69.95 1q56 s THR 161 CO 0.29 -0.82 2.29 0.61 -0.69 0.00 0.00 174.62 176.31 1q56 n GLY 162 N 3.24 0.61 0.00 4.40 0.00 0.61 -2.22 105.19 111.82 1q56 n GLY 162 Ca 0.06 0.80 0.00 0.00 0.00 0.00 0.00 46.02 46.87 1q56 n GLY 162 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1q56 n PHE 163 N 12.42 0.00 -3.66 1.61 7.35 0.23 -0.36 117.46 135.05 1q56 n PHE 163 Ca 0.36 0.00 -0.29 0.00 -0.76 0.00 0.00 57.45 56.76 1q56 n PHE 163 Cb 0.41 0.00 -0.12 0.00 0.35 0.00 0.00 39.48 40.12 1q56 n PHE 163 CO 0.00 0.00 0.00 0.42 -0.76 0.00 0.00 176.76 176.42 1q56 s ILE 164 N 0.00 1.31 0.00 -2.13 1.01 -1.23 -1.58 121.20 118.57 1q56 s ILE 164 Ca 0.00 -2.74 0.00 0.00 0.00 0.00 0.00 60.65 57.91 1q56 s ILE 164 Cb 0.00 -1.90 0.00 0.00 0.01 0.00 0.00 42.46 40.57 1q56 s ILE 164 CO 0.00 -0.98 0.00 0.61 0.00 0.00 0.00 174.94 174.57 1q56 n GLY 165 N 3.24 1.65 3.13 6.18 0.00 -1.25 0.15 105.19 118.29 1q56 n GLY 165 Ca 0.14 -0.69 -0.22 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.56 1.51 0.15 0.00 1.01 -1.14 0.32 121.20 122.50 1q56 s ILE 167 Ca 0.04 -2.00 -0.25 0.00 0.00 0.00 0.00 60.65 58.44 1q56 s ILE 167 Cb -0.07 -1.83 0.06 0.00 0.01 0.00 0.00 42.46 40.63 1q56 s ILE 167 CO 0.00 -0.54 0.90 0.00 0.00 0.00 0.00 174.94 175.30 1q56 s ARG 168 N -3.28 1.25 -0.71 2.79 1.70 -0.44 -3.21 118.95 117.05 1q56 s ARG 168 Ca 0.17 -0.66 -0.10 0.00 -0.47 0.00 0.00 55.73 54.66 1q56 s ARG 168 Cb -0.02 0.44 0.02 0.00 -0.57 0.00 0.00 34.95 34.82 1q56 s ARG 168 CO 0.04 -0.57 0.63 -0.25 -1.08 0.00 0.00 175.30 174.08 1q56 n ASP 169 N -0.44 -5.52 -3.98 -2.89 9.92 -1.26 -2.42 116.55 109.97 1q56 n ASP 169 Ca -0.06 -0.59 -0.27 0.00 -0.53 0.00 0.00 54.79 53.33 1q56 n ASP 169 Cb 0.61 -2.30 -0.17 0.00 -0.64 0.00 0.00 41.12 38.62 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 -2.61 1.23 0.05 2.53 -7.23 -1.26 -3.70 120.40 109.42 1q56 s VAL 170 Ca 0.11 -0.46 0.02 0.00 -1.81 0.00 0.00 61.98 59.84 1q56 s VAL 170 Cb -0.01 -1.18 -0.03 0.00 0.56 0.00 0.00 36.38 35.72 1q56 s VAL 170 CO 0.87 0.39 -0.08 -0.63 -0.31 0.00 0.00 175.10 175.35 1q56 s ILE 171 N 1.30 0.57 -0.27 -0.62 1.09 -0.00 -3.07 121.20 120.20 1q56 s ILE 171 Ca -0.02 -1.26 -0.02 0.00 -1.10 0.00 0.00 60.65 58.25 1q56 s ILE 171 Cb -0.14 -0.84 0.09 0.00 -1.06 0.00 0.00 42.46 40.51 1q56 s ILE 171 CO -0.05 -0.49 0.08 0.68 -0.10 0.00 0.00 174.94 175.06 1q56 s VAL 172 N -1.87 0.64 -1.50 2.92 -7.23 -1.00 -1.33 120.40 111.04 1q56 s VAL 172 Ca -0.05 -1.04 -0.06 0.00 -1.81 0.00 0.00 61.98 59.02 1q56 s VAL 172 Cb -0.07 -1.37 0.02 0.00 0.56 0.00 0.00 36.38 35.52 1q56 s VAL 172 CO -0.01 -0.53 0.61 0.47 -0.31 0.00 0.00 175.10 175.34 1q56 n ASP 173 N 4.97 -5.62 0.00 4.85 9.92 -1.09 0.01 116.55 129.59 1q56 n ASP 173 Ca -0.05 -0.32 0.00 0.00 -0.53 0.00 0.00 54.79 53.89 1q56 n ASP 173 Cb 0.44 -4.55 0.00 0.00 -0.64 0.00 0.00 41.12 36.36 1q56 n ASP 173 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 1q56 n ARG 174 N -4.02 -0.32 -2.54 -1.24 3.00 -1.26 -5.01 116.66 105.27 1q56 n ARG 174 Ca -0.09 0.08 -0.24 0.00 -0.00 0.00 0.00 57.85 57.61 1q56 n ARG 174 Cb 0.60 -3.32 0.10 0.00 0.00 0.00 0.00 32.46 29.84 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 -0.41 1.76 4.84 -0.14 -1.52 0.10 -4.84 119.66 119.46 1q56 s GLN 175 Ca 0.00 -1.00 0.00 0.00 -1.95 0.00 0.00 55.36 52.41 1q56 s GLN 175 Cb 0.00 -2.32 0.00 0.00 -0.22 0.00 0.00 33.01 30.47 1q56 s GLN 175 CO 0.00 -1.39 0.00 -1.91 -0.25 0.00 0.00 175.29 171.74 1q56 n GLU 176 N -2.82 0.00 -3.06 2.91 2.13 -1.26 -2.38 120.64 116.16 1q56 n GLU 176 Ca 0.14 0.00 -0.21 0.00 0.66 0.00 0.00 57.16 57.75 1q56 n GLU 176 Cb 0.60 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 32.27 1q56 n GLU 176 CO 0.00 0.00 0.00 1.47 -0.41 0.00 0.00 177.13 178.19 1q56 n LEU 177 N 0.00 -0.42 -2.65 4.31 -0.00 -1.17 -4.62 117.00 112.44 1q56 n LEU 177 Ca 0.00 -0.62 -0.04 0.00 -0.00 0.00 0.00 56.01 55.34 1q56 n LEU 177 Cb 0.00 -0.80 0.12 0.00 -0.00 0.00 0.00 43.42 42.74 1q56 n LEU 177 CO 0.00 0.07 0.57 1.41 -0.00 0.00 0.00 177.39 179.44 1q56 n HIS 178 N -2.32 -2.16 -0.03 1.47 8.25 -1.26 -4.93 115.22 114.24 1q56 n HIS 178 Ca 0.04 -1.74 0.23 0.00 -0.26 0.00 0.00 57.72 55.99 1q56 n HIS 178 Cb 0.24 1.55 0.72 0.00 1.12 0.00 0.00 29.99 33.62 1q56 n HIS 178 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1q56 h LEU 179 N 1.41 0.00 -0.57 2.41 4.07 -1.98 0.23 115.31 120.88 1q56 h LEU 179 Ca -0.37 0.00 -0.15 0.00 0.08 0.00 0.00 57.88 57.44 1q56 h LEU 179 Cb 1.29 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.02 1q56 h LEU 179 CO -0.13 0.00 -0.56 0.58 -1.08 0.00 0.00 178.44 177.25 1q56 h VAL 180 N 0.00 1.34 0.55 1.22 2.07 -1.96 1.16 116.25 120.63 1q56 h VAL 180 Ca 0.29 -1.83 -0.03 0.00 0.82 0.00 0.00 66.70 65.96 1q56 h VAL 180 Cb 1.34 1.82 0.01 0.00 -1.52 0.00 0.00 31.29 32.94 1q56 h VAL 180 CO -0.00 0.56 -0.27 -0.33 0.02 0.00 0.00 177.57 177.55 1q56 h GLU 181 N 0.36 -0.71 0.00 1.57 5.08 -0.92 -2.91 114.58 117.04 1q56 h GLU 181 Ca 0.00 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1q56 h GLU 181 Cb 1.09 0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1q56 h GLU 181 CO 0.10 -0.43 -0.19 -0.44 -1.00 0.00 0.00 179.01 177.05 1q56 h ASP 182 N -0.85 0.00 -0.93 1.42 5.19 -1.60 -3.22 116.42 116.42 1q56 h ASP 182 Ca -0.08 -0.00 0.23 0.00 -0.62 0.00 0.00 57.03 56.56 1q56 h ASP 182 Cb 0.61 0.00 -0.12 0.00 0.18 0.00 0.00 39.33 40.00 1q56 h ASP 182 CO 0.12 0.00 0.46 0.00 -3.12 0.00 0.00 179.24 176.71 1q56 h ALA 183 N 2.03 1.56 -1.15 3.45 0.00 0.16 0.98 119.26 126.29 1q56 h ALA 183 Ca 0.00 0.15 0.33 0.00 0.00 0.00 0.00 54.91 55.39 1q56 h ALA 183 Cb 0.98 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.83 1q56 h ALA 183 CO 0.00 -0.32 1.16 -0.07 0.00 0.00 0.00 179.25 180.02 1q56 h LEU 184 N 0.46 0.00 -0.41 0.00 3.38 -1.55 2.26 115.31 119.45 1q56 h LEU 184 Ca 0.59 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.56 1q56 h LEU 184 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1q56 h LEU 184 CO -0.51 0.00 0.00 -3.20 0.09 0.00 0.00 178.44 174.82 1q56 n ASN 185 N -3.45 0.20 -4.35 -0.43 2.85 0.34 -4.59 115.26 105.83 1q56 n ASN 185 Ca 0.26 0.58 -0.23 0.00 -0.11 0.00 0.00 54.58 55.07 1q56 n ASN 185 Cb 1.52 -0.61 -0.12 0.00 1.24 0.00 0.00 39.78 41.81 1q56 n ASN 185 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 1q56 s ASN 186 N -3.37 2.84 0.25 1.20 2.47 0.76 -5.10 114.94 113.99 1q56 s ASN 186 Ca 0.01 -0.84 0.00 0.00 0.42 0.00 0.00 52.86 52.45 1q56 s ASN 186 Cb 0.04 -0.18 0.00 0.00 -1.45 0.00 0.00 41.25 39.66 1q56 s ASN 186 CO 0.13 0.02 0.00 -0.81 -3.72 0.00 0.00 177.10 172.72 1q56 n PRO 187 N 0.40 0.29 -1.47 0.43 -0.04 -1.26 -4.78 135.00 128.57 1q56 n PRO 187 Ca -0.14 0.00 -0.54 0.00 -0.04 0.00 0.00 63.50 62.79 1q56 n PRO 187 Cb 0.56 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.97 1q56 n PRO 187 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1q56 n THR 188 N -1.43 0.91 -4.04 0.52 -1.04 -1.26 -4.94 114.28 103.00 1q56 n THR 188 Ca 0.00 -0.23 -0.33 0.00 -2.04 0.00 0.00 64.05 61.45 1q56 n THR 188 Cb 0.00 -0.07 -0.06 0.00 -1.82 0.00 0.00 70.33 68.37 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 -0.43 4.97 0.12 12.58 1.01 -1.26 -5.10 121.20 133.08 1q56 s ILE 189 Ca 0.78 -0.28 0.02 0.00 0.00 0.00 0.00 60.65 61.17 1q56 s ILE 189 Cb -1.09 -3.27 -0.04 0.00 0.01 0.00 0.00 42.46 38.07 1q56 s ILE 189 CO 0.56 0.38 0.25 -0.76 0.00 0.00 0.00 174.94 175.37 1q56 s LEU 190 N -1.69 4.31 0.14 2.97 1.43 -1.26 -5.03 118.68 119.54 1q56 s LEU 190 Ca 0.23 0.18 0.08 0.00 -1.03 0.00 0.00 54.13 53.59 1q56 s LEU 190 Cb -0.12 -2.89 -0.04 0.00 0.03 0.00 0.00 46.19 43.16 1q56 s LEU 190 CO 0.14 0.09 -0.07 -1.00 0.23 0.00 0.00 176.35 175.74 1q56 s HIS 191 N -1.67 2.74 -0.25 0.29 3.76 -1.26 -1.45 115.29 117.45 1q56 s HIS 191 Ca 0.34 -0.16 -0.08 0.00 -0.15 0.00 0.00 55.06 55.01 1q56 s HIS 191 Cb -0.12 -1.38 -0.03 0.00 1.11 0.00 0.00 32.58 32.16 1q56 s HIS 191 CO 0.28 0.47 0.08 0.00 -0.85 0.00 0.00 174.74 174.72 1q56 s SER 193 N 1.62 3.45 0.00 0.00 0.01 -1.26 -4.68 113.70 112.84 1q56 s SER 193 Ca 0.06 -1.21 0.00 0.00 1.31 0.00 0.00 55.95 56.11 1q56 s SER 193 Cb -0.15 -0.30 0.00 0.00 0.21 0.00 0.00 66.02 65.78 1q56 s SER 193 CO 0.04 -0.27 0.00 0.00 0.41 0.00 0.00 173.24 173.42 1q56 n ALA 194 N -0.75 0.00 -1.80 1.44 0.00 -1.26 -5.20 120.51 112.95 1q56 n ALA 194 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1q56 n ALA 194 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.09 1q56 n ALA 194 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86