#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q56 n SER 2 N 0.00 1.53 0.02 1.61 7.64 -1.26 -5.06 113.62 118.10 1q56 n SER 2 Ca 0.00 0.24 0.00 0.00 1.01 0.00 0.00 58.87 60.12 1q56 n SER 2 Cb 0.00 -0.58 0.00 0.00 -1.01 0.00 0.00 64.21 62.62 1q56 n SER 2 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1q56 n GLU 3 N -4.01 0.00 -0.80 1.43 -0.58 -1.26 -5.04 120.64 110.39 1q56 n GLU 3 Ca -0.09 0.00 -0.04 0.00 -0.42 0.00 0.00 57.16 56.61 1q56 n GLU 3 Cb 0.32 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 31.14 1q56 n GLU 3 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 1q56 n LYS 4 N -2.61 0.00 -3.94 3.49 -0.00 -1.26 -5.06 118.16 108.79 1q56 n LYS 4 Ca 0.00 -0.64 -0.30 0.00 -0.00 0.00 0.00 58.31 57.37 1q56 n LYS 4 Cb 0.00 0.42 -0.14 0.00 -0.00 0.00 0.00 35.03 35.31 1q56 n LYS 4 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1q56 s VAL 5 N 0.00 2.68 -0.60 0.58 1.01 -1.26 -5.00 120.40 117.81 1q56 s VAL 5 Ca 0.00 -3.47 0.04 0.00 0.00 0.00 0.00 61.98 58.55 1q56 s VAL 5 Cb 0.00 -2.84 0.16 0.00 0.00 0.00 0.00 36.38 33.70 1q56 s VAL 5 CO 0.00 -0.84 0.40 0.27 0.00 0.00 0.00 175.10 174.94 1q56 s ILE 6 N -0.48 2.26 -0.55 2.22 -0.00 -1.26 -4.96 121.20 118.44 1q56 s ILE 6 Ca 0.18 -3.67 -0.01 0.00 -0.00 0.00 0.00 60.65 57.16 1q56 s ILE 6 Cb -0.22 -2.51 0.14 0.00 -0.00 0.00 0.00 42.46 39.86 1q56 s ILE 6 CO -0.03 -1.00 0.33 -0.63 -0.00 0.00 0.00 174.94 173.62 1q56 s ILE 7 N -0.82 3.26 -0.36 8.37 1.01 -1.26 -5.06 121.20 126.34 1q56 s ILE 7 Ca 0.24 -2.88 -0.18 0.00 0.00 0.00 0.00 60.65 57.83 1q56 s ILE 7 Cb -0.09 -3.19 0.00 0.00 0.01 0.00 0.00 42.46 39.20 1q56 s ILE 7 CO -0.13 -0.81 0.53 -0.70 0.00 0.00 0.00 174.94 173.83 1q56 s GLU 8 N 0.13 3.57 0.06 2.79 2.12 -1.26 -5.05 118.70 121.05 1q56 s GLU 8 Ca 0.15 -0.20 0.06 0.00 0.36 0.00 0.00 54.97 55.35 1q56 s GLU 8 Cb -0.22 -3.83 -0.03 0.00 0.26 0.00 0.00 34.13 30.31 1q56 s GLU 8 CO -0.03 -0.69 -0.18 -1.59 -0.54 0.00 0.00 175.26 172.23 1q56 s LYS 9 N 2.43 1.10 0.32 4.30 -2.85 -1.26 -5.15 119.74 118.64 1q56 s LYS 9 Ca 0.19 -0.93 0.07 0.00 -1.00 0.00 0.00 55.97 54.30 1q56 s LYS 9 Cb -0.15 -1.20 -0.03 0.00 -2.06 0.00 0.00 37.83 34.39 1q56 s LYS 9 CO 0.14 0.29 0.28 0.00 0.10 0.00 0.00 175.35 176.16 1q56 s ALA 10 N -0.96 3.81 -1.52 0.59 0.00 -1.26 -4.98 121.76 117.44 1q56 s ALA 10 Ca 0.04 -1.61 0.18 0.00 0.00 0.00 0.00 51.96 50.57 1q56 s ALA 10 Cb -0.09 -1.20 0.94 0.00 0.00 0.00 0.00 23.12 22.77 1q56 s ALA 10 CO 0.02 0.05 1.54 0.00 0.00 0.00 0.00 175.76 177.37 1q56 n ALA 11 N -1.35 2.01 0.00 0.00 0.00 -1.26 -4.97 120.51 114.93 1q56 n ALA 11 Ca -0.03 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1q56 n ALA 11 Cb 0.59 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.75 1q56 n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q56 n GLY 12 N 0.23 0.09 2.73 0.00 0.00 -1.26 -4.87 105.19 102.10 1q56 n GLY 12 Ca 0.09 -2.29 -0.27 0.00 0.00 0.00 0.00 46.02 43.56 1q56 n GLY 12 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1q56 n ASP 13 N 0.00 4.06 -3.07 1.61 5.75 -1.26 -4.91 116.55 118.73 1q56 n ASP 13 Ca 0.00 -3.57 -0.31 0.00 -0.01 0.00 0.00 54.79 50.90 1q56 n ASP 13 Cb 0.00 -0.60 -0.02 0.00 -1.03 0.00 0.00 41.12 39.47 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 0.17 5.11 -1.55 2.12 0.00 -1.26 -5.00 120.51 120.10 1q56 n ALA 14 Ca 0.30 -4.64 -0.16 0.00 0.00 0.00 0.00 53.44 48.94 1q56 n ALA 14 Cb 0.41 -1.11 -0.10 0.00 0.00 0.00 0.00 19.45 18.65 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 -0.23 0.47 -3.59 0.00 2.13 -1.26 -4.89 120.64 113.26 1q56 n GLU 15 Ca 0.36 -0.65 -0.27 0.00 0.66 0.00 0.00 57.16 57.26 1q56 n GLU 15 Cb 0.37 -3.15 -0.03 0.00 0.27 0.00 0.00 31.44 28.90 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 11.89 3.77 -0.06 4.31 0.00 -1.26 -4.71 121.76 135.70 1q56 s ALA 16 Ca 1.01 -0.78 -0.01 0.00 0.00 0.00 0.00 51.96 52.18 1q56 s ALA 16 Cb -0.28 -2.07 0.03 0.00 0.00 0.00 0.00 23.12 20.79 1q56 s ALA 16 CO 0.19 0.35 -0.01 0.42 0.00 0.00 0.00 175.76 176.71 1q56 s ILE 17 N -1.96 0.37 -0.05 0.00 -1.09 -1.16 -3.06 121.20 114.24 1q56 s ILE 17 Ca 0.40 0.08 -0.20 0.00 -2.23 0.00 0.00 60.65 58.69 1q56 s ILE 17 Cb -0.11 -0.50 -0.05 0.00 -1.58 0.00 0.00 42.46 40.23 1q56 s ILE 17 CO 0.30 0.24 0.58 0.00 -1.23 0.00 0.00 174.94 174.83 1q56 s ALA 18 N 1.68 3.45 0.46 9.38 0.00 0.20 -2.63 121.76 134.31 1q56 s ALA 18 Ca 0.00 -0.01 0.08 0.00 0.00 0.00 0.00 51.96 52.03 1q56 s ALA 18 Cb -0.13 -2.76 0.02 0.00 0.00 0.00 0.00 23.12 20.26 1q56 s ALA 18 CO -0.04 0.06 0.56 -0.06 0.00 0.00 0.00 175.76 176.29 1q56 s PHE 19 N 0.26 2.36 0.00 0.00 0.40 0.34 -4.25 117.98 117.09 1q56 s PHE 19 Ca 0.31 -0.53 0.00 0.00 -0.60 0.00 0.00 56.93 56.11 1q56 s PHE 19 Cb -0.17 -2.25 0.00 0.00 0.51 0.00 0.00 43.02 41.11 1q56 s PHE 19 CO 0.15 -0.52 0.24 -0.40 0.70 0.00 0.00 175.22 175.39 1q56 n ASP 20 N -1.86 0.33 0.00 1.36 5.68 -1.24 -3.73 116.55 117.10 1q56 n ASP 20 Ca 0.08 -1.05 0.00 0.00 -0.50 0.00 0.00 54.79 53.32 1q56 n ASP 20 Cb 0.61 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.59 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 -0.03 2.96 1.11 6.12 0.00 -0.68 -4.73 105.19 109.94 1q56 n GLY 21 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.67 2.90 -0.45 1.61 0.63 -1.26 -2.72 116.66 116.69 1q56 n ARG 22 Ca 0.00 -2.48 -0.27 0.00 -0.92 0.00 0.00 57.85 54.19 1q56 n ARG 22 Cb 0.00 -1.50 0.22 0.00 0.45 0.00 0.00 32.46 31.63 1q56 n ARG 22 CO 0.00 0.00 0.00 -2.37 -2.51 0.00 0.00 177.63 172.75 1q56 n THR 23 N 1.12 0.00 -2.69 5.15 5.66 -1.26 -4.91 114.28 117.34 1q56 n THR 23 Ca 0.20 -0.17 -0.05 0.00 -3.05 0.00 0.00 64.05 60.98 1q56 n THR 23 Cb 0.59 -0.76 0.05 0.00 -1.55 0.00 0.00 70.33 68.66 1q56 n THR 23 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1q56 n TYR 24 N -4.98 -1.49 -2.77 1.09 9.36 -1.26 -3.99 117.16 113.11 1q56 n TYR 24 Ca 0.06 -0.97 -0.42 0.00 3.32 0.00 0.00 57.90 59.89 1q56 n TYR 24 Cb 0.52 1.23 -0.04 0.00 -0.63 0.00 0.00 39.34 40.42 1q56 n TYR 24 CO 0.00 0.00 0.00 -1.64 0.22 0.00 0.00 176.86 175.44 1q56 s MET 25 N 0.52 3.14 -0.04 2.98 -1.94 -1.17 -4.78 119.30 118.01 1q56 s MET 25 Ca 0.27 -0.69 -0.18 0.00 -1.71 0.00 0.00 55.69 53.38 1q56 s MET 25 Cb 0.17 -4.24 -0.05 0.00 2.01 0.00 0.00 34.83 32.72 1q56 s MET 25 CO -0.12 -1.91 0.49 -1.83 -0.01 0.00 0.00 175.02 171.64 1q56 s GLU 26 N 4.51 4.21 0.11 2.03 4.04 -1.26 -0.88 118.70 131.46 1q56 s GLU 26 Ca 0.26 0.52 0.10 0.00 0.04 0.00 0.00 54.97 55.90 1q56 s GLU 26 Cb -0.14 -3.34 -0.04 0.00 0.02 0.00 0.00 34.13 30.64 1q56 s GLU 26 CO 0.11 0.40 -0.25 0.71 -1.84 0.00 0.00 175.26 174.38 1q56 s TYR 27 N -0.19 2.18 -0.31 4.83 1.51 0.55 -4.42 117.35 121.50 1q56 s TYR 27 Ca 0.27 -0.39 0.02 0.00 -1.01 0.00 0.00 57.07 55.95 1q56 s TYR 27 Cb -0.17 -1.21 0.15 0.00 -0.11 0.00 0.00 41.96 40.63 1q56 s TYR 27 CO 0.13 0.27 0.37 -1.58 -1.11 0.00 0.00 175.55 173.64 1q56 s HIS 28 N -1.04 -0.70 0.28 2.71 2.46 -1.26 -1.91 115.29 115.83 1q56 s HIS 28 Ca 0.12 -0.08 0.03 0.00 0.47 0.00 0.00 55.06 55.61 1q56 s HIS 28 Cb -0.10 -0.30 -0.04 0.00 -0.13 0.00 0.00 32.58 32.01 1q56 s HIS 28 CO 0.05 -0.97 0.20 1.21 -2.47 0.00 0.00 174.74 172.77 1q56 s ASN 29 N 2.25 1.08 0.09 9.88 3.84 -1.16 -5.05 114.94 125.88 1q56 s ASN 29 Ca 0.11 -1.59 -0.04 0.00 0.21 0.00 0.00 52.86 51.55 1q56 s ASN 29 Cb -0.13 0.46 -0.05 0.00 -0.55 0.00 0.00 41.25 40.98 1q56 s ASN 29 CO -0.26 -0.95 0.31 0.00 -2.79 0.00 0.00 177.10 173.41 1q56 s ALA 30 N -3.74 3.86 0.00 1.71 0.00 -1.26 -4.56 121.76 117.76 1q56 s ALA 30 Ca 0.39 -0.63 0.00 0.00 0.00 0.00 0.00 51.96 51.72 1q56 s ALA 30 Cb 0.05 -2.04 0.00 0.00 0.00 0.00 0.00 23.12 21.12 1q56 s ALA 30 CO 0.20 0.70 0.63 1.55 0.00 0.00 0.00 175.76 178.84 1q56 n VAL 31 N 0.39 0.38 -3.83 0.00 3.14 -1.26 -5.03 118.33 112.12 1q56 n VAL 31 Ca -0.05 -0.45 -0.10 0.00 -2.96 0.00 0.00 64.34 60.78 1q56 n VAL 31 Cb 0.52 0.94 -0.00 0.00 -1.06 0.00 0.00 33.84 34.24 1q56 n VAL 31 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 1q56 n THR 32 N -0.19 0.00 -2.79 1.55 -1.04 -1.26 -5.02 114.28 105.53 1q56 n THR 32 Ca 0.00 -1.18 -0.43 0.00 -2.04 0.00 0.00 64.05 60.40 1q56 n THR 32 Cb 0.30 0.89 -0.02 0.00 -1.82 0.00 0.00 70.33 69.68 1q56 n THR 32 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1q56 s LYS 33 N -2.38 3.71 -1.82 -2.82 2.47 -1.26 -4.27 119.74 113.37 1q56 s LYS 33 Ca 0.19 -1.73 0.00 0.00 -1.56 0.00 0.00 55.97 52.87 1q56 s LYS 33 Cb -0.02 -5.13 0.00 0.00 -1.46 0.00 0.00 37.83 31.22 1q56 s LYS 33 CO 0.14 -1.94 0.00 0.45 0.16 0.00 0.00 175.35 174.16 1q56 n SER 34 N 7.25 -5.19 -1.31 1.43 2.88 -1.26 -4.90 113.62 112.52 1q56 n SER 34 Ca 0.31 0.42 -0.03 0.00 -1.33 0.00 0.00 58.87 58.25 1q56 n SER 34 Cb 0.48 -4.41 -0.01 0.00 -0.75 0.00 0.00 64.21 59.52 1q56 n SER 34 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1q56 n GLU 35 N -1.90 0.08 -3.15 -1.46 -0.58 -1.26 -5.16 120.64 107.20 1q56 n GLU 35 Ca -0.17 -0.46 0.06 0.00 -0.42 0.00 0.00 57.16 56.17 1q56 n GLU 35 Cb 0.62 0.40 -0.02 0.00 -0.57 0.00 0.00 31.44 31.87 1q56 n GLU 35 CO 0.00 0.00 0.00 -1.59 -0.48 0.00 0.00 177.13 175.06 1q56 s LYS 36 N -2.16 0.02 -0.32 3.49 0.00 -1.26 -4.10 119.74 115.40 1q56 s LYS 36 Ca 0.05 0.03 -0.04 0.00 0.00 0.00 0.00 55.97 56.01 1q56 s LYS 36 Cb 0.00 0.02 0.26 0.00 0.00 0.00 0.00 37.83 38.11 1q56 s LYS 36 CO 0.04 -0.02 1.22 0.00 0.00 0.00 0.00 175.35 176.58 1q56 n ALA 37 N 5.49 -3.75 -2.26 0.59 0.00 -1.26 -3.95 120.51 115.37 1q56 n ALA 37 Ca -0.09 -0.14 -0.20 0.00 0.00 0.00 0.00 53.44 53.01 1q56 n ALA 37 Cb 0.55 -3.35 -0.02 0.00 0.00 0.00 0.00 19.45 16.63 1q56 n ALA 37 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1q56 s LEU 38 N 0.24 3.56 0.00 0.00 2.01 -1.26 -4.84 118.68 118.39 1q56 s LEU 38 Ca 0.25 -0.56 0.07 0.00 0.01 0.00 0.00 54.13 53.90 1q56 s LEU 38 Cb 0.18 -2.30 0.11 0.00 0.01 0.00 0.00 46.19 44.19 1q56 s LEU 38 CO -0.09 -0.59 0.90 0.00 1.01 0.00 0.00 176.35 177.58 1q56 n GLN 39 N -1.59 1.18 -3.69 1.70 10.64 -1.26 -4.22 117.38 120.14 1q56 n GLN 39 Ca 0.03 -1.29 -0.17 0.00 -1.83 0.00 0.00 57.00 53.75 1q56 n GLN 39 Cb 0.60 -1.14 -0.16 0.00 -0.86 0.00 0.00 30.24 28.68 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 -0.74 0.63 -0.17 2.61 1.04 -1.26 -0.33 113.70 115.47 1q56 s SER 40 Ca 0.10 0.25 0.01 0.00 0.48 0.00 0.00 55.95 56.79 1q56 s SER 40 Cb 0.06 0.15 0.03 0.00 0.10 0.00 0.00 66.02 66.36 1q56 s SER 40 CO 0.09 -0.22 -0.12 0.21 0.98 0.00 0.00 173.24 174.18 1q56 s ASN 41 N 1.98 3.05 0.20 7.02 3.84 -0.82 -4.97 114.94 125.24 1q56 s ASN 41 Ca 0.00 -0.70 -0.23 0.00 0.21 0.00 0.00 52.86 52.15 1q56 s ASN 41 Cb -0.12 -1.20 -0.08 0.00 -0.55 0.00 0.00 41.25 39.30 1q56 s ASN 41 CO -0.05 -0.11 0.76 -1.00 -2.79 0.00 0.00 177.10 173.91 1q56 s HIS 42 N 1.45 3.78 -0.10 0.43 3.76 -1.26 -2.61 115.29 120.74 1q56 s HIS 42 Ca 0.02 1.53 -0.00 0.00 -0.15 0.00 0.00 55.06 56.45 1q56 s HIS 42 Cb -0.15 -2.71 0.02 0.00 1.11 0.00 0.00 32.58 30.86 1q56 s HIS 42 CO -0.09 0.42 -0.06 -0.06 -0.85 0.00 0.00 174.74 174.09 1q56 s PHE 43 N -1.34 1.30 0.01 1.40 0.08 -1.07 -2.48 117.98 115.88 1q56 s PHE 43 Ca 0.40 -0.60 0.05 0.00 0.12 0.00 0.00 56.93 56.90 1q56 s PHE 43 Cb -0.20 -1.12 -0.02 0.00 -0.57 0.00 0.00 43.02 41.11 1q56 s PHE 43 CO 0.23 -0.45 -0.15 -1.21 -0.10 0.00 0.00 175.22 173.54 1q56 s GLU 44 N 1.66 1.13 -0.30 0.44 2.02 0.69 -1.61 118.70 122.74 1q56 s GLU 44 Ca 0.03 -0.67 -0.29 0.00 0.02 0.00 0.00 54.97 54.06 1q56 s GLU 44 Cb -0.13 -1.13 0.20 0.00 0.10 0.00 0.00 34.13 33.17 1q56 s GLU 44 CO -0.07 0.30 1.39 -0.48 0.02 0.00 0.00 175.26 176.42 1q56 s LEU 45 N -0.76 -0.01 0.11 1.80 2.34 -1.11 -0.17 118.68 120.89 1q56 s LEU 45 Ca 0.04 0.01 0.10 0.00 0.06 0.00 0.00 54.13 54.35 1q56 s LEU 45 Cb -0.07 1.02 -0.04 0.00 -0.56 0.00 0.00 46.19 46.55 1q56 s LEU 45 CO 0.00 -0.01 -0.25 -0.44 -1.06 0.00 0.00 176.35 174.59 1q56 s SER 46 N -0.97 3.11 0.47 1.48 0.01 -0.69 -1.74 113.70 115.37 1q56 s SER 46 Ca 0.10 -0.72 0.03 0.00 1.31 0.00 0.00 55.95 56.67 1q56 s SER 46 Cb -0.01 -0.21 -0.01 0.00 0.21 0.00 0.00 66.02 66.00 1q56 s SER 46 CO -0.09 0.16 0.09 0.27 0.41 0.00 0.00 173.24 174.08 1q56 s ILE 47 N -1.05 0.68 -0.42 1.44 -4.36 -0.93 -0.34 121.20 116.23 1q56 s ILE 47 Ca 0.12 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.51 1q56 s ILE 47 Cb -0.10 -2.17 0.20 0.00 1.25 0.00 0.00 42.46 41.64 1q56 s ILE 47 CO 0.05 0.00 0.89 -0.75 0.24 0.00 0.00 174.94 175.37 1q56 s LYS 48 N -3.74 0.62 0.00 0.37 2.20 0.31 -1.12 119.74 118.38 1q56 s LYS 48 Ca 0.13 -0.53 0.00 0.00 -0.36 0.00 0.00 55.97 55.22 1q56 s LYS 48 Cb 0.01 -0.01 0.00 0.00 -1.51 0.00 0.00 37.83 36.32 1q56 s LYS 48 CO 0.09 -0.79 0.00 2.41 -0.36 0.00 0.00 175.35 176.70 1q56 n THR 49 N 3.11 0.00 0.00 3.43 -1.04 -1.26 -3.00 114.28 115.51 1q56 n THR 49 Ca 0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.14 1q56 n THR 49 Cb 0.60 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.11 1q56 n THR 49 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 1q56 n GLU 50 N 0.00 0.00 -1.38 -2.82 0.28 -1.26 0.76 120.64 116.22 1q56 n GLU 50 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1q56 n GLU 50 Cb 0.00 -0.64 0.00 0.00 1.43 0.00 0.00 31.44 32.23 1q56 n GLU 50 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1q56 n ALA 51 N -2.73 -0.27 0.32 -1.84 0.00 -1.26 -3.10 120.51 111.63 1q56 n ALA 51 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.59 1q56 n ALA 51 Cb 0.45 -0.31 0.60 0.00 0.00 0.00 0.00 19.45 20.19 1q56 n ALA 51 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1q56 h THR 52 N 0.00 0.00 -1.90 0.00 1.35 -1.87 -3.39 112.91 107.10 1q56 h THR 52 Ca 0.00 -0.44 0.07 0.00 -0.55 0.00 0.00 66.41 65.49 1q56 h THR 52 Cb 0.27 1.36 -0.21 0.00 -1.73 0.00 0.00 68.15 67.84 1q56 h THR 52 CO 0.00 0.00 -0.16 -1.58 -0.25 0.00 0.00 175.52 173.53 1q56 s GLN 53 N -3.53 0.57 0.00 4.72 2.00 -1.22 -0.77 119.66 121.43 1q56 s GLN 53 Ca 0.03 1.38 0.00 0.00 -2.00 0.00 0.00 55.36 54.76 1q56 s GLN 53 Cb 0.09 0.81 0.00 0.00 0.80 0.00 0.00 33.01 34.71 1q56 s GLN 53 CO 0.50 -0.26 0.00 0.41 -0.50 0.00 0.00 175.29 175.45 1q56 n GLY 54 N 5.44 3.98 3.70 2.59 0.00 -0.20 -4.57 105.19 116.13 1q56 n GLY 54 Ca -0.10 -0.32 -0.40 0.00 0.00 0.00 0.00 46.02 45.20 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 4.28 -0.08 0.99 0.05 -0.29 -0.09 118.68 123.54 1q56 s LEU 55 Ca 0.00 1.21 0.05 0.00 0.05 0.00 0.00 54.13 55.44 1q56 s LEU 55 Cb 0.00 -3.15 -0.24 0.00 -2.05 0.00 0.00 46.19 40.74 1q56 s LEU 55 CO 0.00 -0.20 0.53 -0.38 -0.55 0.00 0.00 176.35 175.74 1q56 n ILE 56 N 4.06 1.68 -3.81 1.48 5.41 0.74 -2.53 119.36 126.38 1q56 n ILE 56 Ca 0.01 -0.74 -0.12 0.00 1.00 0.00 0.00 62.75 62.89 1q56 n ILE 56 Cb 0.51 -1.31 -0.11 0.00 -0.71 0.00 0.00 39.64 38.01 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 -6.46 1.22 -0.27 1.39 0.20 0.16 0.27 118.68 115.19 1q56 s LEU 57 Ca -0.12 0.25 -0.01 0.00 0.69 0.00 0.00 54.13 54.95 1q56 s LEU 57 Cb 0.07 0.79 0.15 0.00 -0.43 0.00 0.00 46.19 46.78 1q56 s LEU 57 CO 0.80 -0.19 0.40 0.86 -0.29 0.00 0.00 176.35 177.94 1q56 s TRP 58 N -0.39 -0.94 -0.20 5.38 -0.11 0.72 0.24 118.94 123.63 1q56 s TRP 58 Ca -0.05 0.66 -0.04 0.00 1.22 0.00 0.00 56.10 57.88 1q56 s TRP 58 Cb -0.03 -0.03 -0.02 0.00 -1.50 0.00 0.00 33.47 31.89 1q56 s TRP 58 CO 0.01 -0.84 -0.03 -1.54 -4.62 0.00 0.00 176.95 169.93 1q56 s SER 59 N 2.56 4.56 -0.00 5.86 1.04 -0.75 -2.36 113.70 124.61 1q56 s SER 59 Ca 0.12 -0.29 0.06 0.00 0.48 0.00 0.00 55.95 56.32 1q56 s SER 59 Cb -0.14 -1.77 -0.02 0.00 0.10 0.00 0.00 66.02 64.19 1q56 s SER 59 CO -0.22 0.04 -0.20 -0.83 0.98 0.00 0.00 173.24 173.01 1q56 s GLY 60 N 1.15 0.99 0.18 7.32 0.00 -1.26 -3.04 107.32 112.65 1q56 s GLY 60 Ca 0.02 -0.89 -0.12 0.00 0.00 0.00 0.00 44.72 43.73 1q56 s GLY 60 CO 0.00 -0.77 1.78 1.70 0.00 0.00 0.00 173.10 175.82 1q56 h LYS 61 N 5.46 0.85 0.00 2.90 1.63 -1.88 -3.43 116.57 122.09 1q56 h LYS 61 Ca -0.39 -0.11 0.00 0.00 -0.85 0.00 0.00 60.65 59.30 1q56 h LYS 61 Cb 1.15 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 32.62 1q56 h LYS 61 CO 0.47 0.66 0.00 0.41 -3.45 0.00 0.00 179.45 177.54 1q56 n GLY 62 N -1.01 0.06 7.00 5.01 0.00 -1.26 -4.56 105.19 110.43 1q56 n GLY 62 Ca 0.04 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.97 0.99 4.77 -1.26 -4.29 117.00 115.24 1q56 n LEU 63 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 1q56 n LEU 63 Cb 0.00 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.15 1q56 n LEU 63 CO 0.00 -0.30 0.14 -0.62 -1.33 0.00 0.00 177.39 175.28 1q56 n GLU 64 N -0.21 2.33 0.00 3.23 1.02 -1.26 -4.80 120.64 120.96 1q56 n GLU 64 Ca 0.00 -3.59 0.00 0.00 -0.02 0.00 0.00 57.16 53.55 1q56 n GLU 64 Cb 0.00 -1.72 0.00 0.00 -0.02 0.00 0.00 31.44 29.70 1q56 n GLU 64 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 1q56 n ARG 65 N -0.61 0.00 -5.05 3.49 1.85 -1.26 -5.15 116.66 109.93 1q56 n ARG 65 Ca 0.25 0.00 -0.30 0.00 -1.00 0.00 0.00 57.85 56.79 1q56 n ARG 65 Cb 0.89 0.00 -0.15 0.00 -1.05 0.00 0.00 32.46 32.15 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 0.00 3.14 0.00 2.89 1.04 -1.26 -5.10 113.70 114.41 1q56 s SER 66 Ca 0.00 -0.54 0.00 0.00 0.48 0.00 0.00 55.95 55.89 1q56 s SER 66 Cb 0.00 -0.31 0.00 0.00 0.10 0.00 0.00 66.02 65.81 1q56 s SER 66 CO 0.00 0.28 0.00 0.47 0.98 0.00 0.00 173.24 174.97 1q56 n ASP 67 N 2.01 0.00 0.00 7.02 8.00 -1.26 -4.83 116.55 127.49 1q56 n ASP 67 Ca -0.17 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.33 1q56 n ASP 67 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.62 1q56 n ASP 67 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1q56 n TYR 68 N 0.00 0.00 -4.01 1.24 9.36 -1.16 -4.43 117.16 118.15 1q56 n TYR 68 Ca 0.00 0.00 -0.10 0.00 3.32 0.00 0.00 57.90 61.12 1q56 n TYR 68 Cb 0.00 0.00 -0.05 0.00 -0.63 0.00 0.00 39.34 38.66 1q56 n TYR 68 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 1q56 s ILE 69 N 0.00 0.00 -0.10 2.97 1.01 -1.17 -2.67 121.20 121.24 1q56 s ILE 69 Ca 0.00 -1.44 -0.33 0.00 0.00 0.00 0.00 60.65 58.88 1q56 s ILE 69 Cb 0.00 -2.28 0.14 0.00 0.01 0.00 0.00 42.46 40.33 1q56 s ILE 69 CO 0.00 0.00 1.33 0.00 0.00 0.00 0.00 174.94 176.27 1q56 s ALA 70 N -3.89 -2.28 -0.26 9.38 0.00 -0.32 -1.80 121.76 122.58 1q56 s ALA 70 Ca 0.24 1.07 -0.02 0.00 0.00 0.00 0.00 51.96 53.25 1q56 s ALA 70 Cb -0.00 0.15 0.12 0.00 0.00 0.00 0.00 23.12 23.39 1q56 s ALA 70 CO 0.10 -0.92 0.26 -0.51 0.00 0.00 0.00 175.76 174.69 1q56 s LEU 71 N -2.73 -0.13 0.34 0.00 1.43 0.67 -2.03 118.68 116.23 1q56 s LEU 71 Ca 0.13 -0.62 0.07 0.00 -1.03 0.00 0.00 54.13 52.68 1q56 s LEU 71 Cb 0.04 0.40 -0.07 0.00 0.03 0.00 0.00 46.19 46.59 1q56 s LEU 71 CO -0.05 -0.37 -0.01 0.00 0.23 0.00 0.00 176.35 176.15 1q56 s ALA 72 N 2.33 2.72 -0.06 4.21 0.00 -1.15 0.26 121.76 130.07 1q56 s ALA 72 Ca 0.09 -2.11 0.04 0.00 0.00 0.00 0.00 51.96 49.98 1q56 s ALA 72 Cb -0.15 0.26 0.00 0.00 0.00 0.00 0.00 23.12 23.23 1q56 s ALA 72 CO -0.27 -0.12 -0.17 0.42 0.00 0.00 0.00 175.76 175.62 1q56 s ILE 73 N -2.91 1.48 -0.01 0.00 1.01 0.87 -0.96 121.20 120.67 1q56 s ILE 73 Ca 0.34 -0.71 -0.01 0.00 0.00 0.00 0.00 60.65 60.26 1q56 s ILE 73 Cb 0.07 -1.29 0.00 0.00 0.01 0.00 0.00 42.46 41.25 1q56 s ILE 73 CO 0.16 0.43 0.04 0.54 0.00 0.00 0.00 174.94 176.10 1q56 s VAL 74 N 0.29 0.01 -1.28 2.92 0.11 0.16 -1.04 120.40 121.58 1q56 s VAL 74 Ca -0.10 -0.06 0.00 0.00 -2.93 0.00 0.00 61.98 58.89 1q56 s VAL 74 Cb -0.14 -0.08 0.00 0.00 -1.53 0.00 0.00 36.38 34.62 1q56 s VAL 74 CO 0.04 -0.03 0.00 0.47 -3.33 0.00 0.00 175.10 172.25 1q56 n ASP 75 N 2.96 -4.39 0.00 3.54 8.00 0.05 -1.96 116.55 124.75 1q56 n ASP 75 Ca -0.13 0.23 0.00 0.00 0.71 0.00 0.00 54.79 55.60 1q56 n ASP 75 Cb 0.59 -3.15 0.00 0.00 -0.02 0.00 0.00 41.12 38.54 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 -1.32 0.75 3.17 0.44 0.00 -0.92 -5.01 105.19 102.29 1q56 n GLY 76 Ca -0.13 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.69 1.19 0.62 1.61 0.08 -0.83 -2.33 117.98 115.62 1q56 s PHE 77 Ca 0.00 -0.47 0.06 0.00 0.12 0.00 0.00 56.93 56.64 1q56 s PHE 77 Cb 0.00 -0.67 0.10 0.00 -0.57 0.00 0.00 43.02 41.88 1q56 s PHE 77 CO 0.00 0.05 0.85 0.08 -0.10 0.00 0.00 175.22 176.10 1q56 s VAL 78 N -1.33 2.20 -0.30 -0.44 1.01 -1.26 0.38 120.40 120.67 1q56 s VAL 78 Ca -0.02 -0.85 -0.15 0.00 0.00 0.00 0.00 61.98 60.96 1q56 s VAL 78 Cb -0.10 -2.35 0.15 0.00 0.00 0.00 0.00 36.38 34.08 1q56 s VAL 78 CO 0.02 0.00 0.91 0.00 0.00 0.00 0.00 175.10 176.03 1q56 s GLN 79 N -4.82 0.39 -0.33 2.72 -2.07 -0.14 -0.23 119.66 115.18 1q56 s GLN 79 Ca 0.63 0.86 -0.26 0.00 -1.82 0.00 0.00 55.36 54.77 1q56 s GLN 79 Cb -0.06 0.37 0.01 0.00 -1.09 0.00 0.00 33.01 32.25 1q56 s GLN 79 CO 0.40 -0.11 0.92 1.41 -1.32 0.00 0.00 175.29 176.60 1q56 s MET 80 N 2.12 3.95 0.12 9.60 -2.45 -1.17 -2.92 119.30 128.55 1q56 s MET 80 Ca -0.06 0.73 0.11 0.00 -1.25 0.00 0.00 55.69 55.22 1q56 s MET 80 Cb -0.06 -3.76 -0.04 0.00 1.25 0.00 0.00 34.83 32.22 1q56 s MET 80 CO -0.17 -0.84 -0.26 0.00 1.05 0.00 0.00 175.02 174.79 1q56 s MET 81 N 3.35 1.48 -0.25 4.11 0.00 -0.86 -1.76 119.30 125.37 1q56 s MET 81 Ca 0.38 -1.30 -0.17 0.00 0.00 0.00 0.00 55.69 54.60 1q56 s MET 81 Cb -0.13 -1.92 0.07 0.00 0.00 0.00 0.00 34.83 32.85 1q56 s MET 81 CO 0.15 0.46 0.63 1.52 0.00 0.00 0.00 175.02 177.79 1q56 s TYR 82 N -1.03 -0.89 -0.66 3.16 -0.85 -1.13 -1.18 117.35 114.78 1q56 s TYR 82 Ca 0.14 1.89 0.05 0.00 -0.52 0.00 0.00 57.07 58.63 1q56 s TYR 82 Cb -0.10 0.47 0.21 0.00 0.38 0.00 0.00 41.96 42.91 1q56 s TYR 82 CO 0.06 -0.45 0.61 -0.40 -1.52 0.00 0.00 175.55 173.85 1q56 n ASP 83 N 3.86 3.21 0.00 -0.18 5.68 -1.09 -1.87 116.55 126.16 1q56 n ASP 83 Ca -0.19 -3.29 0.14 0.00 -0.50 0.00 0.00 54.79 50.96 1q56 n ASP 83 Cb 0.57 -0.71 0.72 0.00 -1.14 0.00 0.00 41.12 40.57 1q56 n ASP 83 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1q56 n LEU 84 N 1.46 0.00 0.02 -2.12 -0.00 -1.26 -3.01 117.00 112.10 1q56 n LEU 84 Ca 0.25 0.29 0.00 0.00 -0.00 0.00 0.00 56.01 56.55 1q56 n LEU 84 Cb 0.38 -0.29 0.00 0.00 -0.00 0.00 0.00 43.42 43.51 1q56 n LEU 84 CO 0.33 -0.01 0.00 0.61 -0.00 0.00 0.00 177.39 178.31 1q56 n GLY 85 N 1.18 0.02 0.00 1.47 0.00 -1.26 -4.75 105.19 101.85 1q56 n GLY 85 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.92 0.00 -4.19 1.61 7.64 -1.26 -5.01 113.62 109.49 1q56 n SER 86 Ca 0.00 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.61 1q56 n SER 86 Cb 0.00 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.04 1q56 n SER 86 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 1q56 s LYS 87 N -1.00 1.77 -0.14 1.43 -2.85 -1.26 -5.01 119.74 112.67 1q56 s LYS 87 Ca 0.00 -0.70 -0.29 0.00 -1.00 0.00 0.00 55.97 53.97 1q56 s LYS 87 Cb 0.00 -1.62 -0.02 0.00 -2.06 0.00 0.00 37.83 34.13 1q56 s LYS 87 CO 0.00 0.37 1.20 -1.25 0.10 0.00 0.00 175.35 175.77 1q56 s PRO 88 N -0.28 4.28 0.84 1.78 0.04 -1.26 -4.27 135.00 136.13 1q56 s PRO 88 Ca 0.03 1.61 -0.12 0.00 0.04 0.00 0.00 61.00 62.56 1q56 s PRO 88 Cb -0.09 -3.68 0.10 0.00 0.04 0.00 0.00 34.50 30.86 1q56 s PRO 88 CO 0.01 -0.60 1.14 0.54 0.04 0.00 0.00 177.00 178.13 1q56 s VAL 89 N 3.00 2.28 -0.41 -0.36 0.11 -0.78 -4.70 120.40 119.53 1q56 s VAL 89 Ca 0.53 0.09 0.04 0.00 -2.93 0.00 0.00 61.98 59.71 1q56 s VAL 89 Cb -0.21 -2.96 0.17 0.00 -1.53 0.00 0.00 36.38 31.84 1q56 s VAL 89 CO 0.16 -0.12 0.43 0.54 -3.33 0.00 0.00 175.10 172.78 1q56 s VAL 90 N -3.39 -0.24 -1.27 2.04 0.11 -1.26 -2.81 120.40 113.58 1q56 s VAL 90 Ca 0.62 -1.53 -0.18 0.00 -2.93 0.00 0.00 61.98 57.96 1q56 s VAL 90 Cb -0.13 -0.73 0.01 0.00 -1.53 0.00 0.00 36.38 34.00 1q56 s VAL 90 CO 0.52 -0.69 1.96 0.18 -3.33 0.00 0.00 175.10 173.74 1q56 n LEU 91 N 3.54 5.22 -4.21 2.54 7.99 -0.72 -4.81 117.00 126.54 1q56 n LEU 91 Ca 0.18 -3.76 -0.29 0.00 -0.01 0.00 0.00 56.01 52.14 1q56 n LEU 91 Cb 0.48 -1.63 0.27 0.00 -0.11 0.00 0.00 43.42 42.43 1q56 n LEU 91 CO 0.07 0.13 0.32 0.54 -1.51 0.00 0.00 177.39 176.94 1q56 n ARG 92 N 7.42 -4.35 -4.18 3.23 1.74 -1.26 -3.03 116.66 116.23 1q56 n ARG 92 Ca 0.50 -1.29 -0.30 0.00 -0.77 0.00 0.00 57.85 55.98 1q56 n ARG 92 Cb 0.43 -1.88 -0.09 0.00 -1.02 0.00 0.00 32.46 29.90 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 -2.87 4.89 -0.37 0.55 0.15 0.68 -4.44 113.70 112.28 1q56 s SER 93 Ca 0.63 -0.21 0.06 0.00 0.70 0.00 0.00 55.95 57.14 1q56 s SER 93 Cb -0.13 -1.13 0.59 0.00 -1.71 0.00 0.00 66.02 63.64 1q56 s SER 93 CO 0.54 0.19 1.68 0.35 1.20 0.00 0.00 173.24 177.20 1q56 n THR 94 N 0.70 2.87 -4.11 6.45 -2.24 -1.26 -4.68 114.28 112.01 1q56 n THR 94 Ca -0.12 -2.36 -0.15 0.00 -2.27 0.00 0.00 64.05 59.15 1q56 n THR 94 Cb 0.52 -0.39 -0.12 0.00 -2.10 0.00 0.00 70.33 68.24 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 -3.28 0.79 -0.05 2.28 1.01 -1.26 -5.10 120.40 114.79 1q56 s VAL 95 Ca 0.51 -1.20 -0.30 0.00 0.00 0.00 0.00 61.98 60.99 1q56 s VAL 95 Cb 0.44 -0.83 -0.06 0.00 0.00 0.00 0.00 36.38 35.94 1q56 s VAL 95 CO 0.05 -0.33 1.65 -2.16 0.00 0.00 0.00 175.10 174.31 1q56 s PRO 96 N -1.71 4.18 -0.00 2.72 0.04 -1.26 -4.75 135.00 134.23 1q56 s PRO 96 Ca -0.06 2.19 0.16 0.00 0.04 0.00 0.00 61.00 63.33 1q56 s PRO 96 Cb -0.10 -3.96 -0.18 0.00 0.04 0.00 0.00 34.50 30.30 1q56 s PRO 96 CO 0.01 -0.83 0.64 1.51 0.04 0.00 0.00 177.00 178.36 1q56 n ILE 97 N 5.42 0.00 -1.64 0.56 0.13 -0.99 -4.58 119.36 118.27 1q56 n ILE 97 Ca 0.17 -0.16 -0.33 0.00 -1.10 0.00 0.00 62.75 61.34 1q56 n ILE 97 Cb 0.43 0.88 -0.04 0.00 -0.84 0.00 0.00 39.64 40.07 1q56 n ILE 97 CO 0.00 0.00 0.00 -0.46 2.80 0.00 0.00 176.55 178.89 1q56 n ASN 98 N -1.47 7.33 -0.50 9.51 6.94 -1.18 -4.35 115.26 131.54 1q56 n ASN 98 Ca 0.02 -3.02 0.05 0.00 -0.02 0.00 0.00 54.58 51.61 1q56 n ASN 98 Cb 0.27 -1.35 0.11 0.00 -2.36 0.00 0.00 39.78 36.45 1q56 n ASN 98 CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 177.26 176.64 1q56 n THR 99 N 1.77 0.83 -1.22 5.53 -1.04 -1.21 -4.77 114.28 114.16 1q56 n THR 99 Ca 0.58 -0.91 -0.11 0.00 -2.04 0.00 0.00 64.05 61.57 1q56 n THR 99 Cb 0.42 0.62 -0.05 0.00 -1.82 0.00 0.00 70.33 69.50 1q56 n THR 99 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1q56 n ASN 100 N 0.36 -4.15 -4.57 8.00 3.02 0.23 -4.81 115.26 113.35 1q56 n ASN 100 Ca 0.09 0.26 -0.30 0.00 -0.03 0.00 0.00 54.58 54.60 1q56 n ASN 100 Cb 0.37 -3.39 -0.10 0.00 -0.61 0.00 0.00 39.78 36.05 1q56 n ASN 100 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1q56 s HIS 101 N -1.81 2.71 -0.81 3.10 3.76 -1.26 -4.28 115.29 116.70 1q56 s HIS 101 Ca 0.00 -0.17 -0.26 0.00 -0.15 0.00 0.00 55.06 54.48 1q56 s HIS 101 Cb 0.00 -1.41 -0.14 0.00 1.11 0.00 0.00 32.58 32.14 1q56 s HIS 101 CO 0.00 0.43 2.38 -1.58 -0.85 0.00 0.00 174.74 175.11 1q56 s TRP 102 N -1.22 1.17 0.30 1.40 0.23 -1.23 -4.03 118.94 115.57 1q56 s TRP 102 Ca 0.21 1.93 -0.13 0.00 -2.03 0.00 0.00 56.10 56.09 1q56 s TRP 102 Cb -0.11 -3.46 -0.08 0.00 0.03 0.00 0.00 33.47 29.85 1q56 s TRP 102 CO 0.13 -1.55 0.68 0.99 0.96 0.00 0.00 176.95 178.16 1q56 s THR 103 N 14.64 4.78 -0.11 2.01 2.01 -0.28 -4.85 115.64 133.84 1q56 s THR 103 Ca 0.91 0.75 -0.02 0.00 0.31 0.00 0.00 61.69 63.63 1q56 s THR 103 Cb -0.12 -3.63 -0.03 0.00 0.01 0.00 0.00 72.50 68.73 1q56 s THR 103 CO 0.08 -0.19 -0.03 -2.28 -0.69 0.00 0.00 174.62 171.51 1q56 s HIS 104 N -1.97 3.04 0.11 4.92 2.46 -1.26 -2.18 115.29 120.41 1q56 s HIS 104 Ca 0.52 -0.07 0.04 0.00 0.47 0.00 0.00 55.06 56.02 1q56 s HIS 104 Cb -0.10 -1.85 -0.04 0.00 -0.13 0.00 0.00 32.58 30.46 1q56 s HIS 104 CO 0.20 0.20 -0.10 0.42 -2.47 0.00 0.00 174.74 172.99 1q56 s ILE 105 N -0.29 1.02 0.21 0.89 1.01 -0.71 0.21 121.20 123.55 1q56 s ILE 105 Ca 0.05 -1.79 -0.14 0.00 0.00 0.00 0.00 60.65 58.77 1q56 s ILE 105 Cb -0.12 -1.54 0.00 0.00 0.01 0.00 0.00 42.46 40.81 1q56 s ILE 105 CO 0.02 -0.63 0.46 -0.75 0.00 0.00 0.00 174.94 174.04 1q56 s LYS 106 N -3.14 1.42 -0.25 2.79 2.36 -0.89 -2.75 119.74 119.28 1q56 s LYS 106 Ca 0.09 -1.12 -0.02 0.00 -2.55 0.00 0.00 55.97 52.38 1q56 s LYS 106 Cb -0.01 0.47 0.14 0.00 -1.05 0.00 0.00 37.83 37.38 1q56 s LYS 106 CO 0.00 -0.58 0.40 0.00 1.55 0.00 0.00 175.35 176.72 1q56 s ALA 107 N -3.96 -1.21 -0.65 3.13 0.00 -0.63 -1.24 121.76 117.20 1q56 s ALA 107 Ca 0.17 0.98 -0.25 0.00 0.00 0.00 0.00 51.96 52.86 1q56 s ALA 107 Cb -0.00 -1.73 0.04 0.00 0.00 0.00 0.00 23.12 21.43 1q56 s ALA 107 CO 0.04 -1.28 1.11 0.71 0.00 0.00 0.00 175.76 176.33 1q56 s TYR 108 N 2.58 2.55 -0.16 0.00 2.02 -0.65 -2.60 117.35 121.08 1q56 s TYR 108 Ca 0.13 -0.10 -0.17 0.00 -0.37 0.00 0.00 57.07 56.56 1q56 s TYR 108 Cb -0.15 -4.40 -0.04 0.00 -0.40 0.00 0.00 41.96 36.97 1q56 s TYR 108 CO -0.17 -1.72 0.44 0.50 -1.57 0.00 0.00 175.55 173.03 1q56 s ARG 109 N 4.76 4.25 0.12 -0.62 3.00 -1.07 -0.50 118.95 128.89 1q56 s ARG 109 Ca 0.32 0.33 0.04 0.00 -1.00 0.00 0.00 55.73 55.42 1q56 s ARG 109 Cb -0.11 -3.49 -0.04 0.00 0.00 0.00 0.00 34.95 31.31 1q56 s ARG 109 CO 0.16 0.04 -0.10 0.08 0.00 0.00 0.00 175.30 175.49 1q56 s VAL 110 N 1.03 1.02 -0.50 7.11 1.01 0.23 -1.94 120.40 128.36 1q56 s VAL 110 Ca 0.23 -1.83 -0.44 0.00 0.00 0.00 0.00 61.98 59.93 1q56 s VAL 110 Cb -0.15 -1.59 -0.19 0.00 0.00 0.00 0.00 36.38 34.45 1q56 s VAL 110 CO 0.09 -0.66 2.08 1.67 0.00 0.00 0.00 175.10 178.28 1q56 n GLN 111 N 0.21 0.01 -3.46 2.72 7.27 0.55 -1.07 117.38 123.60 1q56 n GLN 111 Ca -0.13 0.00 -0.18 0.00 0.07 0.00 0.00 57.00 56.76 1q56 n GLN 111 Cb 0.59 -1.51 0.02 0.00 2.41 0.00 0.00 30.24 31.75 1q56 n GLN 111 CO 0.00 0.00 0.00 -2.13 0.07 0.00 0.00 177.06 175.00 1q56 n ARG 112 N 7.13 -1.42 0.00 3.69 0.63 -1.26 -4.96 116.66 120.47 1q56 n ARG 112 Ca 0.52 0.90 0.00 0.00 -0.92 0.00 0.00 57.85 58.35 1q56 n ARG 112 Cb -0.04 -4.40 0.00 0.00 0.45 0.00 0.00 32.46 28.47 1q56 n ARG 112 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 1q56 n GLU 113 N -2.97 0.00 -4.54 -0.14 2.13 -0.23 -4.31 120.64 110.57 1q56 n GLU 113 Ca -0.11 0.00 -0.26 0.00 0.66 0.00 0.00 57.16 57.45 1q56 n GLU 113 Cb 0.59 0.00 -0.11 0.00 0.27 0.00 0.00 31.44 32.19 1q56 n GLU 113 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 1q56 s GLY 114 N 0.00 2.22 0.17 8.31 0.00 0.14 0.77 107.32 118.93 1q56 s GLY 114 Ca 0.00 -2.12 -0.06 0.00 0.00 0.00 0.00 44.72 42.55 1q56 s GLY 114 CO 0.00 -2.02 0.21 -0.45 0.00 0.00 0.00 173.10 170.84 1q56 s SER 115 N -3.61 0.12 0.02 1.64 0.15 0.35 -1.99 113.70 110.37 1q56 s SER 115 Ca 0.33 -1.07 -0.08 0.00 0.70 0.00 0.00 55.95 55.83 1q56 s SER 115 Cb 0.04 0.40 0.00 0.00 -1.71 0.00 0.00 66.02 64.76 1q56 s SER 115 CO 0.16 -0.87 0.16 -0.22 1.20 0.00 0.00 173.24 173.68 1q56 s LEU 116 N -3.03 1.49 -0.27 3.45 1.98 -0.51 -1.64 118.68 120.15 1q56 s LEU 116 Ca 0.24 -0.27 -0.01 0.00 -2.89 0.00 0.00 54.13 51.19 1q56 s LEU 116 Cb 0.05 0.78 0.15 0.00 0.66 0.00 0.00 46.19 47.84 1q56 s LEU 116 CO 0.04 -0.45 0.45 -1.10 -1.89 0.00 0.00 176.35 173.40 1q56 s GLN 117 N -1.86 0.42 -0.52 1.98 -0.21 -0.37 -1.61 119.66 117.49 1q56 s GLN 117 Ca -0.11 0.58 -0.28 0.00 0.02 0.00 0.00 55.36 55.58 1q56 s GLN 117 Cb -0.05 -0.17 -0.00 0.00 1.00 0.00 0.00 33.01 33.79 1q56 s GLN 117 CO -0.00 -0.72 1.63 0.08 -2.12 0.00 0.00 175.29 174.16 1q56 s VAL 118 N 2.63 3.59 -1.11 1.09 1.01 -1.26 -2.10 120.40 124.26 1q56 s VAL 118 Ca 0.14 0.50 -0.04 0.00 0.00 0.00 0.00 61.98 62.59 1q56 s VAL 118 Cb -0.15 -4.10 0.00 0.00 0.00 0.00 0.00 36.38 32.14 1q56 s VAL 118 CO -0.20 -0.90 0.47 0.61 0.00 0.00 0.00 175.10 175.09 1q56 n GLY 119 N 5.42 -0.18 3.44 4.51 0.00 0.56 -2.67 105.19 116.27 1q56 n GLY 119 Ca 0.17 -0.12 -0.23 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.35 -6.18 -1.57 1.61 5.03 -1.06 -5.00 115.26 106.75 1q56 n ASN 120 Ca -0.07 -0.49 0.00 0.00 0.87 0.00 0.00 54.58 54.89 1q56 n ASN 120 Cb 0.58 -4.82 0.00 0.00 -1.02 0.00 0.00 39.78 34.52 1q56 n ASN 120 CO 0.00 0.00 0.00 -1.84 -1.83 0.00 0.00 177.26 173.59 1q56 n GLU 121 N -4.71 1.55 -1.02 3.52 0.00 -1.09 -4.94 120.64 113.96 1q56 n GLU 121 Ca -0.00 0.00 -0.46 0.00 0.00 0.00 0.00 57.16 56.69 1q56 n GLU 121 Cb 0.56 0.00 -0.09 0.00 0.00 0.00 0.00 31.44 31.92 1q56 n GLU 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1q56 n ALA 122 N -3.00 -0.10 -2.30 -1.84 0.00 -1.26 -4.64 120.51 107.38 1q56 n ALA 122 Ca 0.00 0.19 -0.43 0.00 0.00 0.00 0.00 53.44 53.21 1q56 n ALA 122 Cb 0.00 -1.53 -0.02 0.00 0.00 0.00 0.00 19.45 17.89 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 4.00 4.09 -0.44 0.00 0.04 -1.26 -4.70 135.00 136.72 1q56 s PRO 123 Ca 0.87 1.67 -0.25 0.00 0.04 0.00 0.00 61.00 63.34 1q56 s PRO 123 Cb -1.12 -3.87 0.02 0.00 0.04 0.00 0.00 34.50 29.57 1q56 s PRO 123 CO 0.52 -0.91 0.89 0.42 0.04 0.00 0.00 177.00 177.95 1q56 s ILE 124 N 4.06 4.54 0.46 0.56 1.09 -0.64 -4.80 121.20 126.48 1q56 s ILE 124 Ca 0.61 0.74 0.04 0.00 -1.10 0.00 0.00 60.65 60.95 1q56 s ILE 124 Cb -0.23 -4.38 -0.04 0.00 -1.06 0.00 0.00 42.46 36.74 1q56 s ILE 124 CO 0.21 -0.75 0.02 0.42 -0.10 0.00 0.00 174.94 174.74 1q56 s THR 125 N 3.59 1.58 0.00 2.92 -4.23 -1.26 -1.42 115.64 116.81 1q56 s THR 125 Ca 0.35 -1.98 0.00 0.00 -1.18 0.00 0.00 61.69 58.88 1q56 s THR 125 Cb -0.11 -2.56 0.00 0.00 1.34 0.00 0.00 72.50 71.17 1q56 s THR 125 CO 0.24 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.93 1q56 n GLY 126 N -1.14 1.24 3.28 3.99 0.00 -0.84 -4.87 105.19 106.85 1q56 n GLY 126 Ca -0.12 -0.96 -0.09 0.00 0.00 0.00 0.00 46.02 44.85 1q56 n GLY 126 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1q56 s SER 127 N 0.00 0.09 0.80 1.61 0.01 -1.26 0.28 113.70 115.23 1q56 s SER 127 Ca 0.00 -0.86 -0.09 0.00 1.31 0.00 0.00 55.95 56.31 1q56 s SER 127 Cb 0.00 0.40 0.12 0.00 0.21 0.00 0.00 66.02 66.74 1q56 s SER 127 CO 0.00 -0.83 1.13 -0.44 0.41 0.00 0.00 173.24 173.50 1q56 s SER 128 N -2.95 4.19 -0.60 2.44 0.01 -1.26 -4.83 113.70 110.71 1q56 s SER 128 Ca 0.15 0.32 -0.04 0.00 1.31 0.00 0.00 55.95 57.69 1q56 s SER 128 Cb 0.04 -0.73 -0.07 0.00 0.21 0.00 0.00 66.02 65.48 1q56 s SER 128 CO -0.03 -2.02 1.97 -0.81 0.41 0.00 0.00 173.24 172.76 1q56 n PRO 129 N -3.22 1.60 -1.73 12.44 -0.04 -1.26 -4.71 135.00 138.08 1q56 n PRO 129 Ca 0.11 -1.12 0.00 0.00 -0.04 0.00 0.00 63.50 62.45 1q56 n PRO 129 Cb 0.60 -2.23 0.00 0.00 -0.04 0.00 0.00 33.50 31.83 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 3.93 0.00 -3.38 1.53 -0.00 -1.26 -4.75 117.00 113.08 1q56 n LEU 130 Ca 0.34 0.00 -0.26 0.00 -0.00 0.00 0.00 56.01 56.09 1q56 n LEU 130 Cb 0.19 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.53 1q56 n LEU 130 CO 0.56 0.00 -0.18 0.61 -0.00 0.00 0.00 177.39 178.38 1q56 n GLY 131 N -0.49 3.33 1.72 1.47 0.00 -1.26 -4.92 105.19 105.04 1q56 n GLY 131 Ca 0.00 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 44.09 1q56 n GLY 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q56 n ALA 132 N 1.64 0.01 -1.68 4.61 0.00 -1.26 -4.40 120.51 119.43 1q56 n ALA 132 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1q56 n ALA 132 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 1q56 n ALA 132 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1q56 n THR 133 N -2.29 -5.49 -3.30 0.00 -1.04 -1.26 -4.79 114.28 96.12 1q56 n THR 133 Ca 0.00 2.40 -0.18 0.00 -2.04 0.00 0.00 64.05 64.23 1q56 n THR 133 Cb 0.00 -3.27 0.01 0.00 -1.82 0.00 0.00 70.33 65.26 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 0.45 -1.81 -2.97 -2.82 6.02 -1.26 -4.88 117.38 110.11 1q56 n GLN 134 Ca 0.00 1.47 -0.43 0.00 -0.01 0.00 0.00 57.00 58.03 1q56 n GLN 134 Cb 0.00 -3.94 -0.05 0.00 1.02 0.00 0.00 30.24 27.26 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 -3.47 4.32 0.54 1.08 1.98 -1.26 -5.03 118.68 116.84 1q56 s LEU 135 Ca 0.17 -0.28 -0.20 0.00 -2.89 0.00 0.00 54.13 50.92 1q56 s LEU 135 Cb -0.03 -2.85 -0.06 0.00 0.66 0.00 0.00 46.19 43.92 1q56 s LEU 135 CO 0.82 -0.98 1.18 -1.81 -1.89 0.00 0.00 176.35 173.67 1q56 s ASP 136 N 2.37 5.65 0.00 3.68 1.11 -1.26 -4.21 116.67 124.00 1q56 s ASP 136 Ca 0.28 2.32 0.01 0.00 0.18 0.00 0.00 52.55 55.33 1q56 s ASP 136 Cb -0.13 -2.60 -0.00 0.00 1.07 0.00 0.00 42.92 41.26 1q56 s ASP 136 CO 0.20 -1.28 -0.02 0.28 1.18 0.00 0.00 175.17 175.53 1q56 s THR 137 N -1.62 0.18 -0.68 -1.27 -1.32 -1.25 -4.86 115.64 104.81 1q56 s THR 137 Ca 0.72 -0.22 0.02 0.00 -1.21 0.00 0.00 61.69 61.00 1q56 s THR 137 Cb -0.28 -0.18 0.17 0.00 -1.51 0.00 0.00 72.50 70.69 1q56 s THR 137 CO 0.32 -0.03 0.85 -0.90 -2.21 0.00 0.00 174.62 172.66 1q56 n ASP 138 N 2.81 2.24 -1.48 8.08 5.75 -1.26 -4.81 116.55 127.88 1q56 n ASP 138 Ca -0.14 -2.23 -0.06 0.00 -0.01 0.00 0.00 54.79 52.36 1q56 n ASP 138 Cb 0.59 -0.55 -0.02 0.00 -1.03 0.00 0.00 41.12 40.11 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 0.14 0.30 3.86 6.12 0.00 -1.26 -4.81 105.19 109.54 1q56 n GLY 139 Ca 0.07 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.68 3.78 -0.16 4.61 0.00 -1.26 -2.96 121.76 124.09 1q56 s ALA 140 Ca 0.00 -1.50 -0.27 0.00 0.00 0.00 0.00 51.96 50.19 1q56 s ALA 140 Cb 0.00 -1.32 0.07 0.00 0.00 0.00 0.00 23.12 21.87 1q56 s ALA 140 CO 0.00 0.12 0.68 -1.17 0.00 0.00 0.00 175.76 175.40 1q56 s LEU 141 N -3.95 -0.64 0.01 0.00 2.96 -0.80 -4.57 118.68 111.69 1q56 s LEU 141 Ca 0.37 1.07 0.06 0.00 -0.22 0.00 0.00 54.13 55.41 1q56 s LEU 141 Cb -0.07 2.45 -0.02 0.00 0.50 0.00 0.00 46.19 49.05 1q56 s LEU 141 CO 0.27 -0.42 -0.19 0.26 -1.32 0.00 0.00 176.35 174.95 1q56 s TRP 142 N -0.38 1.64 -0.13 5.38 0.52 -1.00 0.21 118.94 125.19 1q56 s TRP 142 Ca -0.05 -0.33 -0.06 0.00 0.02 0.00 0.00 56.10 55.67 1q56 s TRP 142 Cb -0.03 -1.03 0.05 0.00 -1.15 0.00 0.00 33.47 31.32 1q56 s TRP 142 CO 0.05 0.01 0.29 -1.17 0.02 0.00 0.00 176.95 176.16 1q56 s LEU 143 N -0.70 0.16 0.00 2.99 0.20 -0.06 -0.20 118.68 121.07 1q56 s LEU 143 Ca 0.07 0.64 0.00 0.00 0.69 0.00 0.00 54.13 55.53 1q56 s LEU 143 Cb -0.08 0.90 0.00 0.00 -0.43 0.00 0.00 46.19 46.59 1q56 s LEU 143 CO 0.00 -0.18 0.00 0.61 -0.29 0.00 0.00 176.35 176.49 1q56 n GLY 144 N 4.41 0.93 0.00 7.98 0.00 0.76 -3.04 105.19 116.23 1q56 n GLY 144 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.65 0.17 3.64 -0.02 0.00 -1.05 -2.87 105.19 104.41 1q56 n GLY 145 Ca 0.00 -1.04 -0.07 0.00 0.00 0.00 0.00 46.02 44.91 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 0.37 0.27 1.61 -1.94 -1.26 -4.79 119.30 111.56 1q56 s MET 146 Ca 0.00 0.39 0.25 0.00 -1.71 0.00 0.00 55.69 54.62 1q56 s MET 146 Cb 0.00 0.18 0.69 0.00 2.01 0.00 0.00 34.83 37.71 1q56 s MET 146 CO 0.00 -0.05 1.73 1.49 -0.01 0.00 0.00 175.02 178.18 1q56 h GLU 147 N 3.69 0.00 -0.83 2.03 4.81 -1.92 -3.28 114.58 119.08 1q56 h GLU 147 Ca -0.26 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 58.62 1q56 h GLU 147 Cb 1.18 0.00 -0.40 0.00 0.63 0.00 0.00 28.75 30.16 1q56 h GLU 147 CO 0.15 0.00 -1.11 2.89 -0.73 0.00 0.00 179.01 180.21 1q56 n ARG 148 N -2.47 1.70 -0.32 1.92 -4.01 -1.26 -4.98 116.66 107.24 1q56 n ARG 148 Ca 0.05 -3.51 -0.08 0.00 -1.04 0.00 0.00 57.85 53.27 1q56 n ARG 148 Cb 0.46 -1.52 -0.02 0.00 -3.04 0.00 0.00 32.46 28.33 1q56 n ARG 148 CO 0.00 0.00 0.00 -0.11 -3.04 0.00 0.00 177.63 174.48 1q56 n LEU 149 N -0.33 2.04 -0.25 2.89 7.94 -1.24 -4.13 117.00 123.92 1q56 n LEU 149 Ca 0.13 -1.68 0.13 0.00 -1.11 0.00 0.00 56.01 53.48 1q56 n LEU 149 Cb 0.81 -0.65 0.63 0.00 0.53 0.00 0.00 43.42 44.73 1q56 n LEU 149 CO 0.21 -0.22 0.92 -1.54 -1.11 0.00 0.00 177.39 175.65 1q56 n SER 150 N 4.07 0.77 0.00 1.96 3.41 -1.26 -4.55 113.62 118.02 1q56 n SER 150 Ca 0.18 -1.37 0.00 0.00 -0.26 0.00 0.00 58.87 57.42 1q56 n SER 150 Cb 0.12 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 1q56 n SER 150 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1q56 n VAL 151 N -0.35 0.00 -3.84 -3.33 3.14 -1.26 -4.90 118.33 107.79 1q56 n VAL 151 Ca 0.19 0.00 -0.26 0.00 -2.96 0.00 0.00 64.34 61.31 1q56 n VAL 151 Cb 0.22 0.00 0.02 0.00 -1.06 0.00 0.00 33.84 33.02 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 -1.68 0.00 1.55 0.00 -1.26 -4.81 120.51 111.31 1q56 n ALA 152 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1q56 n ALA 152 Cb 0.00 -2.99 0.00 0.00 0.00 0.00 0.00 19.45 16.46 1q56 n ALA 152 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1q56 n HIS 153 N -4.46 0.00 -0.11 0.00 -0.00 -1.26 -2.96 115.22 106.42 1q56 n HIS 153 Ca -0.15 0.00 -0.22 0.00 0.46 0.00 0.00 57.72 57.81 1q56 n HIS 153 Cb 0.61 0.00 -0.12 0.00 -0.12 0.00 0.00 29.99 30.36 1q56 n HIS 153 CO 0.00 0.00 0.00 0.36 0.46 0.00 0.00 176.34 177.16 1q56 n LYS 154 N -0.74 0.64 -2.67 1.57 2.85 -1.26 -4.86 118.16 113.70 1q56 n LYS 154 Ca 0.00 0.23 -0.43 0.00 -1.05 0.00 0.00 58.31 57.06 1q56 n LYS 154 Cb 0.00 -1.55 -0.02 0.00 -0.65 0.00 0.00 35.03 32.80 1q56 n LYS 154 CO 0.00 0.00 0.00 -0.48 -0.05 0.00 0.00 177.40 176.87 1q56 s LEU 155 N -6.98 3.84 -0.02 -5.58 2.34 -1.16 -4.92 118.68 106.20 1q56 s LEU 155 Ca -0.34 0.70 -0.01 0.00 0.06 0.00 0.00 54.13 54.54 1q56 s LEU 155 Cb 0.10 -3.47 -0.00 0.00 -0.56 0.00 0.00 46.19 42.26 1q56 s LEU 155 CO 0.59 -1.02 -0.02 1.55 -1.06 0.00 0.00 176.35 176.39 1q56 h PRO 156 N 8.63 0.00 -0.21 1.48 0.13 -1.89 -3.36 132.00 136.77 1q56 h PRO 156 Ca -0.22 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.96 1q56 h PRO 156 Cb 1.06 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.15 1q56 h PRO 156 CO 1.06 0.00 -0.09 -0.22 -0.23 0.00 0.00 178.00 178.51 1q56 h LYS 157 N -0.15 -0.07 -0.95 0.86 3.64 -1.94 0.89 116.57 118.85 1q56 h LYS 157 Ca 0.00 0.00 0.29 0.00 -1.27 0.00 0.00 60.65 59.68 1q56 h LYS 157 Cb 0.06 0.01 -0.16 0.00 -0.41 0.00 0.00 32.23 31.74 1q56 h LYS 157 CO 0.00 -0.04 0.35 0.00 -2.27 0.00 0.00 179.45 177.49 1q56 h ALA 158 N 1.11 1.60 0.04 5.00 0.00 -1.87 2.73 119.26 127.87 1q56 h ALA 158 Ca 0.11 0.24 -0.22 0.00 0.00 0.00 0.00 54.91 55.04 1q56 h ALA 158 Cb 0.23 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1q56 h ALA 158 CO -0.25 -0.59 -1.01 1.88 0.00 0.00 0.00 179.25 179.28 1q56 h TYR 159 N 0.18 0.22 0.00 0.00 -1.99 -1.32 -0.72 116.97 113.35 1q56 h TYR 159 Ca 0.66 -0.15 0.00 0.00 2.00 0.00 0.00 58.73 61.24 1q56 h TYR 159 Cb 1.47 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 40.18 1q56 h TYR 159 CO -0.18 1.05 0.00 0.45 -0.00 0.00 0.00 178.16 179.48 1q56 n SER 160 N -3.52 0.33 -3.69 3.88 2.88 0.82 -3.82 113.62 110.51 1q56 n SER 160 Ca -0.03 0.59 -0.28 0.00 -1.33 0.00 0.00 58.87 57.81 1q56 n SER 160 Cb 0.91 -0.66 -0.12 0.00 -0.75 0.00 0.00 64.21 63.59 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 -3.17 1.74 0.91 2.46 2.01 0.37 -5.00 115.64 114.97 1q56 s THR 161 Ca 0.05 -3.41 -0.17 0.00 0.31 0.00 0.00 61.69 58.47 1q56 s THR 161 Cb 0.09 -2.17 -0.13 0.00 0.01 0.00 0.00 72.50 70.30 1q56 s THR 161 CO 0.30 -1.07 -0.57 0.61 -0.69 0.00 0.00 174.62 173.21 1q56 n GLY 162 N 2.55 -4.16 3.75 4.40 0.00 -1.10 -3.46 105.19 107.17 1q56 n GLY 162 Ca 0.21 -0.69 -0.41 0.00 0.00 0.00 0.00 46.02 45.13 1q56 n GLY 162 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1q56 s PHE 163 N -2.03 3.37 -0.70 1.61 5.36 -1.14 -4.16 117.98 120.29 1q56 s PHE 163 Ca 0.45 1.46 0.05 0.00 -0.96 0.00 0.00 56.93 57.92 1q56 s PHE 163 Cb -0.23 -3.47 0.21 0.00 -0.34 0.00 0.00 43.02 39.19 1q56 s PHE 163 CO 0.79 -1.27 0.67 -0.89 -1.46 0.00 0.00 175.22 173.05 1q56 n ILE 164 N 1.89 2.20 -2.07 3.12 5.41 -1.26 -1.69 119.36 126.96 1q56 n ILE 164 Ca 0.02 -5.09 0.00 0.00 1.00 0.00 0.00 62.75 58.68 1q56 n ILE 164 Cb 0.44 -2.16 0.00 0.00 -0.71 0.00 0.00 39.64 37.21 1q56 n ILE 164 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1q56 n GLY 165 N 1.44 3.09 3.41 7.39 0.00 -1.24 -4.50 105.19 114.78 1q56 n GLY 165 Ca 0.25 -0.79 -0.30 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.98 0.75 0.00 0.00 1.01 -1.08 0.11 121.20 121.02 1q56 s ILE 167 Ca 0.14 -1.73 -0.28 0.00 0.00 0.00 0.00 60.65 58.78 1q56 s ILE 167 Cb -0.10 -1.43 0.10 0.00 0.01 0.00 0.00 42.46 41.03 1q56 s ILE 167 CO 0.05 -0.71 0.83 -0.60 0.00 0.00 0.00 174.94 174.52 1q56 s ARG 168 N -3.20 0.89 -0.49 2.79 3.52 0.54 -3.01 118.95 119.99 1q56 s ARG 168 Ca 0.07 -0.23 -0.23 0.00 -0.13 0.00 0.00 55.73 55.21 1q56 s ARG 168 Cb 0.01 0.41 0.03 0.00 -1.56 0.00 0.00 34.95 33.84 1q56 s ARG 168 CO -0.02 -0.37 0.63 -0.25 -0.81 0.00 0.00 175.30 174.48 1q56 n ASP 169 N -0.04 -6.82 -4.11 -2.12 9.92 -1.26 -1.70 116.55 110.42 1q56 n ASP 169 Ca -0.11 0.13 -0.28 0.00 -0.53 0.00 0.00 54.79 54.00 1q56 n ASP 169 Cb 0.61 -3.73 -0.17 0.00 -0.64 0.00 0.00 41.12 37.20 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 -2.23 1.55 -0.03 2.53 -7.23 -1.26 -3.46 120.40 110.27 1q56 s VAL 170 Ca 0.27 -0.72 -0.12 0.00 -1.81 0.00 0.00 61.98 59.60 1q56 s VAL 170 Cb -0.05 -1.37 0.02 0.00 0.56 0.00 0.00 36.38 35.54 1q56 s VAL 170 CO 0.82 0.45 0.26 -0.63 -0.31 0.00 0.00 175.10 175.69 1q56 s ILE 171 N 0.56 0.05 -0.06 -0.62 1.01 0.76 -3.21 121.20 119.70 1q56 s ILE 171 Ca -0.16 -0.45 -0.01 0.00 0.00 0.00 0.00 60.65 60.04 1q56 s ILE 171 Cb -0.17 -0.54 0.03 0.00 0.01 0.00 0.00 42.46 41.79 1q56 s ILE 171 CO 0.05 -0.25 -0.01 0.54 0.00 0.00 0.00 174.94 175.28 1q56 s VAL 172 N -1.09 0.37 -0.96 2.92 0.11 -1.19 -0.22 120.40 120.34 1q56 s VAL 172 Ca -0.12 0.07 -0.02 0.00 -2.93 0.00 0.00 61.98 58.99 1q56 s VAL 172 Cb -0.05 -0.49 0.01 0.00 -1.53 0.00 0.00 36.38 34.32 1q56 s VAL 172 CO 0.03 0.23 0.08 0.47 -3.33 0.00 0.00 175.10 172.59 1q56 n ASP 173 N 4.76 -3.53 -1.37 3.54 8.00 -1.03 0.12 116.55 127.04 1q56 n ASP 173 Ca -0.14 0.14 -0.13 0.00 0.71 0.00 0.00 54.79 55.37 1q56 n ASP 173 Cb 0.50 -3.00 -0.01 0.00 -0.02 0.00 0.00 41.12 38.59 1q56 n ASP 173 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1q56 n ARG 174 N -2.92 -0.98 -1.50 -1.24 3.00 -1.26 -5.02 116.66 106.74 1q56 n ARG 174 Ca -0.11 0.65 -0.00 0.00 -0.01 0.00 0.00 57.85 58.38 1q56 n ARG 174 Cb 0.59 -4.82 0.00 0.00 0.00 0.00 0.00 32.46 28.22 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 -2.26 1.48 0.00 5.56 1.13 0.33 -4.92 117.38 118.70 1q56 n GLN 175 Ca -0.15 -0.02 0.00 0.00 -1.94 0.00 0.00 57.00 54.89 1q56 n GLN 175 Cb 0.59 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.94 1q56 n GLN 175 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 1q56 n GLU 176 N -0.52 0.00 0.00 -1.09 4.07 -1.26 -3.15 120.64 118.68 1q56 n GLU 176 Ca -0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1q56 n GLU 176 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 1q56 n GLU 176 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1q56 n LEU 177 N 0.00 0.00 -4.55 4.31 4.32 -1.20 -4.66 117.00 115.22 1q56 n LEU 177 Ca 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 56.01 55.84 1q56 n LEU 177 Cb 0.00 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 41.70 1q56 n LEU 177 CO 0.00 0.00 1.36 1.41 -1.22 0.00 0.00 177.39 178.94 1q56 n HIS 178 N 0.00 0.97 0.38 -1.77 8.25 -1.26 -4.75 115.22 117.05 1q56 n HIS 178 Ca 0.00 -0.02 -0.17 0.00 -0.26 0.00 0.00 57.72 57.28 1q56 n HIS 178 Cb 0.00 -2.27 -0.08 0.00 1.12 0.00 0.00 29.99 28.76 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 20.73 -0.84 -1.79 2.41 4.07 -1.97 -2.85 115.31 135.06 1q56 h LEU 179 Ca 0.01 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.97 1q56 h LEU 179 Cb 1.02 0.22 0.00 0.00 1.08 0.00 0.00 40.66 42.98 1q56 h LEU 179 CO 1.11 -0.50 0.00 0.58 -1.08 0.00 0.00 178.44 178.55 1q56 h VAL 180 N -1.17 0.00 -0.11 1.22 2.07 -1.94 1.69 116.25 118.02 1q56 h VAL 180 Ca -0.10 -0.05 -0.10 0.00 0.82 0.00 0.00 66.70 67.28 1q56 h VAL 180 Cb 0.78 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 1q56 h VAL 180 CO 0.17 0.00 -0.31 -0.33 0.02 0.00 0.00 177.57 177.11 1q56 h GLU 181 N 0.00 0.40 0.00 1.57 5.08 -1.88 -2.31 114.58 117.44 1q56 h GLU 181 Ca 0.00 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 1q56 h GLU 181 Cb 0.06 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1q56 h GLU 181 CO 0.00 0.91 -1.46 -0.25 -1.00 0.00 0.00 179.01 177.20 1q56 n ASP 182 N -4.41 0.66 0.10 1.42 9.92 -0.86 -4.32 116.55 119.06 1q56 n ASP 182 Ca -0.07 -0.43 -0.19 0.00 -0.53 0.00 0.00 54.79 53.57 1q56 n ASP 182 Cb 0.49 1.50 -0.11 0.00 -0.64 0.00 0.00 41.12 42.35 1q56 n ASP 182 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1q56 h ALA 183 N 2.23 0.09 0.00 2.24 0.00 0.24 -3.09 119.26 120.97 1q56 h ALA 183 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 54.11 1q56 h ALA 183 Cb 0.71 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1q56 h ALA 183 CO 0.00 0.80 0.17 -0.07 0.00 0.00 0.00 179.25 180.15 1q56 h LEU 184 N 0.20 0.00 -1.54 0.00 3.38 -1.57 -2.04 115.31 113.74 1q56 h LEU 184 Ca -0.16 0.00 0.35 0.00 0.09 0.00 0.00 57.88 58.16 1q56 h LEU 184 Cb 1.88 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.58 1q56 h LEU 184 CO 0.22 0.00 1.11 -1.13 0.09 0.00 0.00 178.44 178.73 1q56 h ASN 185 N 0.00 0.00 -4.20 -0.43 -0.73 -1.77 -3.36 115.58 105.09 1q56 h ASN 185 Ca 0.00 0.00 -0.34 0.00 1.87 0.00 0.00 56.30 57.83 1q56 h ASN 185 Cb 0.35 0.00 -0.26 0.00 0.27 0.00 0.00 38.32 38.67 1q56 h ASN 185 CO 0.00 0.00 -0.76 0.21 -0.37 0.00 0.00 177.43 176.51 1q56 s ASN 186 N -4.03 0.88 0.00 1.15 2.47 -0.77 -5.10 114.94 109.54 1q56 s ASN 186 Ca -0.04 -0.26 0.00 0.00 0.42 0.00 0.00 52.86 52.98 1q56 s ASN 186 Cb 0.18 -0.06 0.00 0.00 -1.45 0.00 0.00 41.25 39.93 1q56 s ASN 186 CO 0.62 0.00 0.00 -0.81 -3.72 0.00 0.00 177.10 173.20 1q56 n PRO 187 N 2.44 1.23 -1.73 0.43 -0.04 -1.26 -4.45 135.00 131.62 1q56 n PRO 187 Ca -0.16 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.13 1q56 n PRO 187 Cb 0.57 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.97 1q56 n PRO 187 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1q56 n THR 188 N -0.38 -0.23 -3.18 0.52 5.66 -1.26 -4.95 114.28 110.46 1q56 n THR 188 Ca 0.00 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.58 1q56 n THR 188 Cb 0.00 -1.92 -0.07 0.00 -1.55 0.00 0.00 70.33 66.78 1q56 n THR 188 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 1q56 s ILE 189 N -2.68 4.93 0.09 1.09 1.01 -1.26 -5.01 121.20 119.36 1q56 s ILE 189 Ca 0.00 0.23 0.05 0.00 0.00 0.00 0.00 60.65 60.93 1q56 s ILE 189 Cb 0.00 -4.08 -0.04 0.00 0.01 0.00 0.00 42.46 38.35 1q56 s ILE 189 CO 0.00 -0.39 -0.02 -0.76 0.00 0.00 0.00 174.94 173.77 1q56 s LEU 190 N 2.58 3.39 -0.52 2.97 2.01 -1.26 -5.03 118.68 122.81 1q56 s LEU 190 Ca 0.20 -0.20 -0.16 0.00 0.01 0.00 0.00 54.13 53.98 1q56 s LEU 190 Cb -0.15 -2.12 0.11 0.00 0.01 0.00 0.00 46.19 44.04 1q56 s LEU 190 CO 0.16 0.18 0.48 -1.00 1.01 0.00 0.00 176.35 177.18 1q56 s HIS 191 N -1.28 3.23 -0.47 0.29 3.76 -1.26 -0.63 115.29 118.94 1q56 s HIS 191 Ca 0.24 -1.15 -0.43 0.00 -0.15 0.00 0.00 55.06 53.57 1q56 s HIS 191 Cb -0.12 -3.62 -0.18 0.00 1.11 0.00 0.00 32.58 29.77 1q56 s HIS 191 CO 0.17 -0.97 2.02 0.00 -0.85 0.00 0.00 174.74 175.11 1q56 s SER 193 N 5.46 5.08 0.00 0.00 0.01 -1.26 -4.69 113.70 118.30 1q56 s SER 193 Ca 1.15 2.47 0.00 0.00 1.31 0.00 0.00 55.95 60.88 1q56 s SER 193 Cb -1.40 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 62.22 1q56 s SER 193 CO 0.67 -1.68 0.00 0.00 0.41 0.00 0.00 173.24 172.64 1q56 n ALA 194 N -1.59 0.00 -1.05 1.44 0.00 -1.26 -5.13 120.51 112.92 1q56 n ALA 194 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1q56 n ALA 194 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 1q56 n ALA 194 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86