#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 -0.01 -3.18 1.61 3.41 -1.26 -5.16 113.62 109.04 1q56 n SER 2 Ca 0.00 0.10 -0.15 0.00 -0.26 0.00 0.00 58.87 58.56 1q56 n SER 2 Cb 0.00 0.07 -0.04 0.00 -0.26 0.00 0.00 64.21 63.98 1q56 n SER 2 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1q56 s GLU 3 N -1.22 1.95 0.00 4.33 1.03 -1.26 -5.18 118.70 118.36 1q56 s GLU 3 Ca 0.00 -1.80 0.00 0.00 0.03 0.00 0.00 54.97 53.20 1q56 s GLU 3 Cb 0.00 0.44 0.00 0.00 -0.80 0.00 0.00 34.13 33.77 1q56 s GLU 3 CO 0.00 -0.81 0.00 1.63 -1.33 0.00 0.00 175.26 174.75 1q56 n LYS 4 N -0.59 3.19 -1.73 -4.83 5.02 -1.26 -5.00 118.16 112.96 1q56 n LYS 4 Ca 0.01 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.88 1q56 n LYS 4 Cb 0.61 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.59 1q56 n LYS 4 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1q56 s VAL 5 N 1.68 3.14 -0.24 -0.18 0.11 -1.26 -4.94 120.40 118.72 1q56 s VAL 5 Ca 0.00 0.16 -0.04 0.00 -2.93 0.00 0.00 61.98 59.18 1q56 s VAL 5 Cb 0.00 -3.13 0.09 0.00 -1.53 0.00 0.00 36.38 31.81 1q56 s VAL 5 CO 0.00 -0.05 0.15 -0.51 -3.33 0.00 0.00 175.10 171.36 1q56 s ILE 6 N 5.67 -0.15 0.21 7.04 1.10 -1.26 -5.14 121.20 128.67 1q56 s ILE 6 Ca 0.89 -0.45 0.09 0.00 -0.51 0.00 0.00 60.65 60.67 1q56 s ILE 6 Cb -0.37 -0.81 -0.04 0.00 0.15 0.00 0.00 42.46 41.39 1q56 s ILE 6 CO 0.37 -0.48 -0.07 -0.63 -2.11 0.00 0.00 174.94 172.02 1q56 s ILE 7 N 2.17 3.26 -0.19 2.00 1.09 -1.26 -5.12 121.20 123.15 1q56 s ILE 7 Ca 0.06 -1.74 -0.03 0.00 -1.10 0.00 0.00 60.65 57.85 1q56 s ILE 7 Cb -0.16 -2.65 0.06 0.00 -1.06 0.00 0.00 42.46 38.65 1q56 s ILE 7 CO -0.24 -0.19 0.03 -1.61 -0.10 0.00 0.00 174.94 172.84 1q56 s GLU 8 N -3.07 0.64 -0.03 2.79 0.41 -1.26 -5.12 118.70 113.06 1q56 s GLU 8 Ca 0.27 -0.38 0.05 0.00 -0.41 0.00 0.00 54.97 54.50 1q56 s GLU 8 Cb -0.08 -2.03 -0.01 0.00 -1.78 0.00 0.00 34.13 30.23 1q56 s GLU 8 CO 0.17 -0.62 -0.18 -1.59 -0.49 0.00 0.00 175.26 172.54 1q56 s LYS 9 N 1.87 1.69 -0.11 1.61 -2.85 -1.26 -5.13 119.74 115.56 1q56 s LYS 9 Ca -0.00 -0.66 0.03 0.00 -1.00 0.00 0.00 55.97 54.34 1q56 s LYS 9 Cb -0.17 -1.54 0.01 0.00 -2.06 0.00 0.00 37.83 34.07 1q56 s LYS 9 CO -0.08 0.33 -0.21 0.00 0.10 0.00 0.00 175.35 175.50 1q56 s ALA 10 N -0.21 2.04 -0.30 0.59 0.00 -1.26 -5.01 121.76 117.59 1q56 s ALA 10 Ca 0.02 -0.93 -0.04 0.00 0.00 0.00 0.00 51.96 51.01 1q56 s ALA 10 Cb -0.09 -0.86 -0.00 0.00 0.00 0.00 0.00 23.12 22.16 1q56 s ALA 10 CO 0.01 0.09 2.85 0.00 0.00 0.00 0.00 175.76 178.71 1q56 n ALA 11 N 3.88 6.16 0.00 0.00 0.00 -1.26 -4.85 120.51 124.44 1q56 n ALA 11 Ca -0.20 -2.44 0.00 0.00 0.00 0.00 0.00 53.44 50.81 1q56 n ALA 11 Cb 0.52 -2.04 0.00 0.00 0.00 0.00 0.00 19.45 17.93 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 1.23 0.79 3.39 0.00 0.00 -1.26 -4.99 105.19 104.36 1q56 n GLY 12 Ca 0.43 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1q56 n GLY 12 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1q56 n ASP 13 N 0.00 0.00 0.00 1.61 2.03 -1.26 -4.63 116.55 114.30 1q56 n ASP 13 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1q56 n ASP 13 Cb 0.00 -0.45 0.00 0.00 -0.72 0.00 0.00 41.12 39.95 1q56 n ASP 13 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1q56 n ALA 14 N 0.52 0.00 -3.22 -1.67 0.00 -1.26 -5.18 120.51 109.70 1q56 n ALA 14 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1q56 n ALA 14 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.94 -4.21 0.00 0.28 -1.26 -5.18 120.64 111.21 1q56 n GLU 15 Ca 0.00 0.00 -0.12 0.00 -0.16 0.00 0.00 57.16 56.88 1q56 n GLU 15 Cb 0.00 0.00 -0.10 0.00 1.43 0.00 0.00 31.44 32.77 1q56 n GLU 15 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1q56 s ALA 16 N -2.00 1.22 -0.20 -1.84 0.00 -1.26 -4.78 121.76 112.90 1q56 s ALA 16 Ca 0.00 -1.67 -0.03 0.00 0.00 0.00 0.00 51.96 50.27 1q56 s ALA 16 Cb 0.00 1.11 0.06 0.00 0.00 0.00 0.00 23.12 24.29 1q56 s ALA 16 CO 0.00 -0.51 0.03 0.42 0.00 0.00 0.00 175.76 175.70 1q56 s ILE 17 N -4.01 0.58 0.07 0.00 -1.09 -0.78 -4.09 121.20 111.88 1q56 s ILE 17 Ca 0.34 -0.61 -0.31 0.00 -2.23 0.00 0.00 60.65 57.84 1q56 s ILE 17 Cb 0.07 -1.08 -0.06 0.00 -1.58 0.00 0.00 42.46 39.81 1q56 s ILE 17 CO 0.09 -0.21 1.24 0.00 -1.23 0.00 0.00 174.94 174.82 1q56 s ALA 18 N 1.83 3.43 -0.12 9.38 0.00 0.86 -3.01 121.76 134.14 1q56 s ALA 18 Ca -0.01 0.89 -0.13 0.00 0.00 0.00 0.00 51.96 52.71 1q56 s ALA 18 Cb -0.17 -3.46 -0.05 0.00 0.00 0.00 0.00 23.12 19.44 1q56 s ALA 18 CO -0.08 -0.48 0.31 -0.06 0.00 0.00 0.00 175.76 175.45 1q56 s PHE 19 N 1.11 3.54 -2.52 0.00 0.40 0.57 -4.62 117.98 116.46 1q56 s PHE 19 Ca 0.60 0.70 0.26 0.00 -0.60 0.00 0.00 56.93 57.88 1q56 s PHE 19 Cb -0.31 -2.30 0.64 0.00 0.51 0.00 0.00 43.02 41.57 1q56 s PHE 19 CO 0.29 0.38 1.51 -0.40 0.70 0.00 0.00 175.22 177.70 1q56 n ASP 20 N 3.00 1.97 0.00 1.36 5.68 -1.25 -2.63 116.55 124.68 1q56 n ASP 20 Ca -0.13 -1.58 0.00 0.00 -0.50 0.00 0.00 54.79 52.58 1q56 n ASP 20 Cb 0.52 0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.56 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 1.28 0.36 0.00 6.12 0.00 0.19 -4.81 105.19 108.32 1q56 n GLY 21 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1q56 n GLY 21 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1q56 n ARG 22 N -2.00 1.67 -2.02 1.61 0.63 -1.26 -3.58 116.66 111.70 1q56 n ARG 22 Ca 0.00 -1.13 -0.29 0.00 -0.92 0.00 0.00 57.85 55.51 1q56 n ARG 22 Cb 0.00 -0.95 0.04 0.00 0.45 0.00 0.00 32.46 32.00 1q56 n ARG 22 CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 1q56 s THR 23 N -0.64 3.56 -0.33 5.15 -1.32 -1.26 -5.06 115.64 115.74 1q56 s THR 23 Ca 0.00 0.37 -0.00 0.00 -1.21 0.00 0.00 61.69 60.84 1q56 s THR 23 Cb 0.00 -3.48 0.13 0.00 -1.51 0.00 0.00 72.50 67.64 1q56 s THR 23 CO 0.00 -0.60 0.24 -0.31 -2.21 0.00 0.00 174.62 171.74 1q56 s TYR 24 N -3.26 0.21 -0.57 9.09 2.02 -1.26 -4.40 117.35 119.18 1q56 s TYR 24 Ca 0.57 -1.04 -0.19 0.00 -0.37 0.00 0.00 57.07 56.04 1q56 s TYR 24 Cb -0.11 -0.73 0.09 0.00 -0.40 0.00 0.00 41.96 40.81 1q56 s TYR 24 CO 0.50 -0.87 0.70 -1.64 -1.57 0.00 0.00 175.55 172.66 1q56 s MET 25 N 1.61 3.07 -0.19 -0.62 -1.94 -1.14 -4.34 119.30 115.76 1q56 s MET 25 Ca 0.14 -1.17 -0.00 0.00 -1.71 0.00 0.00 55.69 52.95 1q56 s MET 25 Cb -0.18 -4.22 0.01 0.00 2.01 0.00 0.00 34.83 32.45 1q56 s MET 25 CO -0.15 -1.46 -0.16 -2.00 -0.01 0.00 0.00 175.02 171.24 1q56 s GLU 26 N 2.75 3.11 -0.29 2.03 -6.30 -1.26 0.20 118.70 118.93 1q56 s GLU 26 Ca 0.13 -0.77 -0.02 0.00 -2.50 0.00 0.00 54.97 51.81 1q56 s GLU 26 Cb -0.22 -2.68 0.05 0.00 0.00 0.00 0.00 34.13 31.27 1q56 s GLU 26 CO 0.08 -0.18 -0.02 0.71 0.02 0.00 0.00 175.26 175.87 1q56 s TYR 27 N 1.29 3.23 -0.94 5.30 1.51 0.12 -4.60 117.35 123.26 1q56 s TYR 27 Ca 0.04 -1.84 -0.10 0.00 -1.01 0.00 0.00 57.07 54.16 1q56 s TYR 27 Cb -0.14 -2.09 0.24 0.00 -0.11 0.00 0.00 41.96 39.87 1q56 s TYR 27 CO -0.09 -0.79 0.89 -1.58 -1.11 0.00 0.00 175.55 172.87 1q56 s HIS 28 N 1.26 3.97 0.31 2.71 2.46 -1.26 -1.61 115.29 123.13 1q56 s HIS 28 Ca -0.05 -2.41 0.09 0.00 0.47 0.00 0.00 55.06 53.16 1q56 s HIS 28 Cb -0.19 -3.75 -0.04 0.00 -0.13 0.00 0.00 32.58 28.47 1q56 s HIS 28 CO -0.02 -0.94 0.07 -0.80 -2.47 0.00 0.00 174.74 170.58 1q56 s ASN 29 N 1.53 4.56 -0.49 9.88 0.01 -0.74 -4.95 114.94 124.74 1q56 s ASN 29 Ca 0.24 -0.76 0.00 0.00 -0.71 0.00 0.00 52.86 51.64 1q56 s ASN 29 Cb -0.10 -0.74 0.13 0.00 0.41 0.00 0.00 41.25 40.94 1q56 s ASN 29 CO -0.08 -0.18 0.26 0.00 -1.51 0.00 0.00 177.10 175.58 1q56 s ALA 30 N -2.40 3.27 0.32 0.60 0.00 -1.26 -4.23 121.76 118.05 1q56 s ALA 30 Ca 0.35 -2.95 0.09 0.00 0.00 0.00 0.00 51.96 49.45 1q56 s ALA 30 Cb -0.04 -2.32 0.92 0.00 0.00 0.00 0.00 23.12 21.68 1q56 s ALA 30 CO 0.21 -1.93 1.66 -0.39 0.00 0.00 0.00 175.76 175.32 1q56 h VAL 31 N 5.86 0.33 -0.08 0.00 -1.51 -1.91 -3.40 116.25 115.54 1q56 h VAL 31 Ca -0.06 -0.10 0.28 0.00 -1.23 0.00 0.00 66.70 65.59 1q56 h VAL 31 Cb 0.97 -0.00 -0.20 0.00 -2.13 0.00 0.00 31.29 29.92 1q56 h VAL 31 CO 0.66 0.06 0.23 0.28 -1.23 0.00 0.00 177.57 177.57 1q56 s THR 32 N -5.78 -0.08 -0.96 7.19 -1.32 -1.26 -5.07 115.64 108.36 1q56 s THR 32 Ca -0.11 0.00 -0.25 0.00 -1.21 0.00 0.00 61.69 60.12 1q56 s THR 32 Cb 0.28 -0.76 -0.11 0.00 -1.51 0.00 0.00 72.50 70.41 1q56 s THR 32 CO 0.78 0.00 2.10 -0.75 -2.21 0.00 0.00 174.62 174.54 1q56 s LYS 33 N 2.99 2.07 0.00 7.08 2.47 -1.26 -4.16 119.74 128.93 1q56 s LYS 33 Ca 0.02 -0.28 0.00 0.00 -1.56 0.00 0.00 55.97 54.15 1q56 s LYS 33 Cb -0.06 -5.01 0.00 0.00 -1.46 0.00 0.00 37.83 31.30 1q56 s LYS 33 CO -0.11 -4.13 0.00 0.43 0.16 0.00 0.00 175.35 171.70 1q56 n SER 34 N 16.23 0.00 0.00 1.43 7.64 -1.26 -5.05 113.62 132.62 1q56 n SER 34 Ca 0.43 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.31 1q56 n SER 34 Cb 0.46 0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.77 1q56 n SER 34 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1q56 n GLU 35 N -1.35 0.00 -4.14 1.43 2.13 -1.26 -5.02 120.64 112.42 1q56 n GLU 35 Ca 0.00 0.00 -0.33 0.00 0.66 0.00 0.00 57.16 57.49 1q56 n GLU 35 Cb 0.00 -0.76 -0.03 0.00 0.27 0.00 0.00 31.44 30.92 1q56 n GLU 35 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1q56 n LYS 36 N -2.34 -3.17 -3.41 5.31 5.02 -1.26 -4.72 118.16 113.58 1q56 n LYS 36 Ca 0.00 0.38 -0.26 0.00 -2.02 0.00 0.00 58.31 56.41 1q56 n LYS 36 Cb 0.36 -4.87 -0.10 0.00 -0.02 0.00 0.00 35.03 30.39 1q56 n LYS 36 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1q56 s ALA 37 N -3.54 0.71 -0.92 7.82 0.00 -1.26 -2.51 121.76 122.06 1q56 s ALA 37 Ca 0.48 -1.80 -0.01 0.00 0.00 0.00 0.00 51.96 50.63 1q56 s ALA 37 Cb -0.26 -1.71 0.34 0.00 0.00 0.00 0.00 23.12 21.49 1q56 s ALA 37 CO 0.92 -2.09 1.91 1.28 0.00 0.00 0.00 175.76 177.78 1q56 n LEU 38 N 3.79 7.37 0.00 0.00 4.32 -1.26 -4.90 117.00 126.32 1q56 n LEU 38 Ca 0.16 -5.10 0.00 0.00 -0.02 0.00 0.00 56.01 51.05 1q56 n LEU 38 Cb 0.41 -1.09 0.00 0.00 -1.62 0.00 0.00 43.42 41.12 1q56 n LEU 38 CO 0.11 1.90 0.00 1.67 -1.22 0.00 0.00 177.39 179.86 1q56 n GLN 39 N -0.33 0.00 -4.37 3.23 7.27 -1.26 -4.70 117.38 117.23 1q56 n GLN 39 Ca 0.50 0.00 -0.19 0.00 0.07 0.00 0.00 57.00 57.38 1q56 n GLN 39 Cb 0.25 0.00 -0.10 0.00 2.41 0.00 0.00 30.24 32.80 1q56 n GLN 39 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 1q56 s SER 40 N 0.00 2.38 0.19 1.69 0.15 -1.25 -3.00 113.70 113.86 1q56 s SER 40 Ca 0.00 -1.15 0.07 0.00 0.70 0.00 0.00 55.95 55.56 1q56 s SER 40 Cb 0.00 -0.10 -0.04 0.00 -1.71 0.00 0.00 66.02 64.17 1q56 s SER 40 CO 0.00 -0.36 0.06 0.20 1.20 0.00 0.00 173.24 174.34 1q56 s ASN 41 N -3.36 5.05 -0.06 5.45 0.02 -0.48 -4.89 114.94 116.67 1q56 s ASN 41 Ca 0.27 -0.32 0.04 0.00 -1.02 0.00 0.00 52.86 51.83 1q56 s ASN 41 Cb 0.03 -1.17 -0.00 0.00 0.02 0.00 0.00 41.25 40.13 1q56 s ASN 41 CO 0.09 0.06 -0.20 -1.00 0.02 0.00 0.00 177.10 176.07 1q56 s HIS 42 N -1.82 2.05 -0.10 2.20 3.76 -1.26 -2.41 115.29 117.71 1q56 s HIS 42 Ca 0.29 -0.68 -0.02 0.00 -0.15 0.00 0.00 55.06 54.50 1q56 s HIS 42 Cb -0.09 -1.38 0.04 0.00 1.11 0.00 0.00 32.58 32.25 1q56 s HIS 42 CO 0.21 -0.25 0.03 -0.06 -0.85 0.00 0.00 174.74 173.82 1q56 s PHE 43 N 0.14 0.56 0.05 1.40 0.08 -0.96 -1.65 117.98 117.60 1q56 s PHE 43 Ca -0.09 -0.22 0.07 0.00 0.12 0.00 0.00 56.93 56.81 1q56 s PHE 43 Cb -0.14 -0.77 -0.03 0.00 -0.57 0.00 0.00 43.02 41.52 1q56 s PHE 43 CO 0.04 -0.37 -0.20 -1.21 -0.10 0.00 0.00 175.22 173.39 1q56 s GLU 44 N 2.01 1.28 0.00 0.44 2.02 0.71 -1.53 118.70 123.63 1q56 s GLU 44 Ca 0.04 -0.93 0.00 0.00 0.02 0.00 0.00 54.97 54.09 1q56 s GLU 44 Cb -0.13 -1.39 0.00 0.00 0.10 0.00 0.00 34.13 32.70 1q56 s GLU 44 CO -0.06 0.35 0.00 1.47 0.02 0.00 0.00 175.26 177.04 1q56 n LEU 45 N 1.77 0.00 -4.45 1.80 -0.00 -1.07 0.13 117.00 115.19 1q56 n LEU 45 Ca -0.18 0.00 -0.28 0.00 -0.00 0.00 0.00 56.01 55.56 1q56 n LEU 45 Cb 0.54 0.00 -0.12 0.00 -0.00 0.00 0.00 43.42 43.84 1q56 n LEU 45 CO 0.23 0.00 -0.52 -0.44 -0.00 0.00 0.00 177.39 176.66 1q56 s SER 46 N 0.00 3.59 0.10 1.45 0.01 -0.89 -0.17 113.70 117.80 1q56 s SER 46 Ca 0.00 -0.76 -0.11 0.00 1.31 0.00 0.00 55.95 56.40 1q56 s SER 46 Cb 0.00 -0.36 0.01 0.00 0.21 0.00 0.00 66.02 65.88 1q56 s SER 46 CO 0.00 0.14 0.25 0.27 0.41 0.00 0.00 173.24 174.31 1q56 s ILE 47 N -1.46 0.12 -0.74 1.44 -4.36 -1.02 -1.82 121.20 113.37 1q56 s ILE 47 Ca 0.19 -1.04 0.00 0.00 -0.26 0.00 0.00 60.65 59.55 1q56 s ILE 47 Cb -0.09 -1.32 0.18 0.00 1.25 0.00 0.00 42.46 42.48 1q56 s ILE 47 CO 0.10 -0.55 0.56 -0.75 0.24 0.00 0.00 174.94 174.54 1q56 s LYS 48 N -3.85 2.75 0.59 0.37 2.20 0.65 -2.24 119.74 120.20 1q56 s LYS 48 Ca 0.05 -3.05 -0.18 0.00 -0.36 0.00 0.00 55.97 52.43 1q56 s LYS 48 Cb 0.04 -3.69 -0.03 0.00 -1.51 0.00 0.00 37.83 32.64 1q56 s LYS 48 CO -0.11 -1.23 1.17 0.95 -0.36 0.00 0.00 175.35 175.77 1q56 s THR 49 N -0.96 2.84 0.00 3.43 -4.23 -1.26 -1.34 115.64 114.12 1q56 s THR 49 Ca 0.23 0.50 0.00 0.00 -1.18 0.00 0.00 61.69 61.24 1q56 s THR 49 Cb -0.12 -3.16 0.00 0.00 1.34 0.00 0.00 72.50 70.56 1q56 s THR 49 CO -0.10 -0.14 0.14 -0.62 -0.54 0.00 0.00 174.62 173.37 1q56 n GLU 50 N -1.67 0.00 -3.70 3.99 -0.58 -0.93 -2.36 120.64 115.39 1q56 n GLU 50 Ca 0.13 -0.14 -0.13 0.00 -0.42 0.00 0.00 57.16 56.60 1q56 n GLU 50 Cb 0.50 -0.48 -0.13 0.00 -0.57 0.00 0.00 31.44 30.77 1q56 n GLU 50 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1q56 s ALA 51 N 0.00 -0.62 -0.10 0.62 0.00 -1.26 -4.99 121.76 115.42 1q56 s ALA 51 Ca 0.00 1.03 0.19 0.00 0.00 0.00 0.00 51.96 53.18 1q56 s ALA 51 Cb 0.00 -0.84 1.04 0.00 0.00 0.00 0.00 23.12 23.32 1q56 s ALA 51 CO 0.00 -0.40 1.55 0.25 0.00 0.00 0.00 175.76 177.16 1q56 n THR 52 N 4.72 0.86 -4.60 0.00 -2.24 -1.26 -4.48 114.28 107.28 1q56 n THR 52 Ca -0.17 0.75 -0.24 0.00 -2.27 0.00 0.00 64.05 62.12 1q56 n THR 52 Cb 0.52 -1.75 -0.16 0.00 -2.10 0.00 0.00 70.33 66.84 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 -3.48 1.59 0.00 -0.78 2.00 -1.25 -1.54 119.66 116.21 1q56 s GLN 53 Ca -0.02 -0.43 0.00 0.00 -2.00 0.00 0.00 55.36 52.90 1q56 s GLN 53 Cb 0.05 -1.35 0.00 0.00 0.80 0.00 0.00 33.01 32.51 1q56 s GLN 53 CO 0.17 0.08 0.00 0.41 -0.50 0.00 0.00 175.29 175.46 1q56 n GLY 54 N 3.59 2.84 3.62 2.59 0.00 -0.71 -4.77 105.19 112.35 1q56 n GLY 54 Ca -0.21 -0.02 -0.41 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 4.09 -0.09 0.99 2.96 -0.44 0.20 118.68 126.38 1q56 s LEU 55 Ca 0.00 0.61 0.12 0.00 -0.22 0.00 0.00 54.13 54.64 1q56 s LEU 55 Cb 0.00 -2.86 -0.24 0.00 0.50 0.00 0.00 46.19 43.60 1q56 s LEU 55 CO 0.00 -0.43 0.47 -0.38 -1.32 0.00 0.00 176.35 174.69 1q56 n ILE 56 N 5.29 1.57 -3.82 6.68 5.41 0.77 -2.06 119.36 133.21 1q56 n ILE 56 Ca -0.00 -0.79 -0.12 0.00 1.00 0.00 0.00 62.75 62.84 1q56 n ILE 56 Cb 0.49 -0.97 -0.09 0.00 -0.71 0.00 0.00 39.64 38.36 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 -6.04 1.21 -0.29 1.39 0.20 0.04 0.29 118.68 115.48 1q56 s LEU 57 Ca -0.08 -0.14 -0.13 0.00 0.69 0.00 0.00 54.13 54.47 1q56 s LEU 57 Cb 0.07 1.00 0.11 0.00 -0.43 0.00 0.00 46.19 46.95 1q56 s LEU 57 CO 0.81 -0.46 0.71 0.86 -0.29 0.00 0.00 176.35 177.98 1q56 s TRP 58 N -1.73 -1.15 0.21 5.38 -0.11 0.10 0.19 118.94 121.83 1q56 s TRP 58 Ca -0.11 2.12 0.10 0.00 1.22 0.00 0.00 56.10 59.43 1q56 s TRP 58 Cb -0.05 0.69 -0.05 0.00 -1.50 0.00 0.00 33.47 32.57 1q56 s TRP 58 CO 0.01 -0.57 -0.21 -1.54 -4.62 0.00 0.00 176.95 170.02 1q56 s SER 59 N 2.31 3.21 -0.28 5.86 1.04 -0.64 -1.59 113.70 123.61 1q56 s SER 59 Ca -0.07 -0.92 -0.19 0.00 0.48 0.00 0.00 55.95 55.24 1q56 s SER 59 Cb -0.09 -0.23 0.08 0.00 0.10 0.00 0.00 66.02 65.89 1q56 s SER 59 CO -0.19 0.03 0.74 -0.83 0.98 0.00 0.00 173.24 173.97 1q56 s GLY 60 N -2.96 -0.54 -0.17 7.32 0.00 -1.26 -3.16 107.32 106.56 1q56 s GLY 60 Ca 0.22 2.38 -0.01 0.00 0.00 0.00 0.00 44.72 47.31 1q56 s GLY 60 CO 0.10 2.20 2.03 1.17 0.00 0.00 0.00 173.10 178.61 1q56 n LYS 61 N 3.69 1.44 -1.80 2.90 4.81 -1.26 -4.79 118.16 123.14 1q56 n LYS 61 Ca -0.18 -0.84 0.00 0.00 -0.87 0.00 0.00 58.31 56.42 1q56 n LYS 61 Cb 0.58 -1.34 0.00 0.00 0.02 0.00 0.00 35.03 34.29 1q56 n LYS 61 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1q56 n GLY 62 N 0.91 -4.98 0.00 3.14 0.00 -1.26 -5.01 105.19 97.99 1q56 n GLY 62 Ca 0.16 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 0.25 0.00 -1.04 0.99 4.77 -1.26 -5.01 117.00 115.70 1q56 n LEU 63 Ca 0.00 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.07 1q56 n LEU 63 Cb 0.00 0.00 0.25 0.00 -2.33 0.00 0.00 43.42 41.34 1q56 n LEU 63 CO 0.00 0.00 0.71 -0.62 -1.33 0.00 0.00 177.39 176.15 1q56 n GLU 64 N -0.19 2.93 0.00 3.23 1.02 -1.26 -4.70 120.64 121.67 1q56 n GLU 64 Ca 0.00 -2.43 0.00 0.00 -0.02 0.00 0.00 57.16 54.71 1q56 n GLU 64 Cb 0.00 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 29.93 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 0.96 0.00 -3.99 3.49 1.85 -1.26 -5.16 116.66 112.55 1q56 n ARG 65 Ca 0.19 0.00 -0.09 0.00 -1.00 0.00 0.00 57.85 56.95 1q56 n ARG 65 Cb 0.58 0.00 -0.11 0.00 -1.05 0.00 0.00 32.46 31.89 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 0.26 -0.08 2.89 1.04 -1.26 -4.95 113.70 111.60 1q56 s SER 66 Ca 0.00 -0.58 -0.04 0.00 0.48 0.00 0.00 55.95 55.82 1q56 s SER 66 Cb 0.00 0.14 -0.04 0.00 0.10 0.00 0.00 66.02 66.22 1q56 s SER 66 CO 0.00 -0.39 -0.11 0.47 0.98 0.00 0.00 173.24 174.20 1q56 n ASP 67 N 1.21 0.89 0.00 7.02 9.92 -1.26 -4.97 116.55 129.36 1q56 n ASP 67 Ca -0.21 0.09 0.00 0.00 -0.53 0.00 0.00 54.79 54.13 1q56 n ASP 67 Cb 0.57 -0.24 0.00 0.00 -0.64 0.00 0.00 41.12 40.81 1q56 n ASP 67 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1q56 n TYR 68 N -3.31 0.00 -3.84 1.24 9.36 -1.15 -4.45 117.16 115.02 1q56 n TYR 68 Ca -0.17 0.00 -0.09 0.00 3.32 0.00 0.00 57.90 60.97 1q56 n TYR 68 Cb 0.62 0.00 0.01 0.00 -0.63 0.00 0.00 39.34 39.34 1q56 n TYR 68 CO 0.00 0.00 0.00 0.96 0.22 0.00 0.00 176.86 178.04 1q56 s ILE 69 N 0.00 0.00 0.06 2.97 -0.00 -1.19 0.30 121.20 123.34 1q56 s ILE 69 Ca 0.00 -1.04 -0.27 0.00 -0.00 0.00 0.00 60.65 59.34 1q56 s ILE 69 Cb 0.00 -2.67 0.09 0.00 -0.00 0.00 0.00 42.46 39.88 1q56 s ILE 69 CO 0.00 0.00 1.17 0.00 -0.00 0.00 0.00 174.94 176.11 1q56 s ALA 70 N -2.71 -2.02 -0.32 2.27 0.00 -0.35 -1.62 121.76 117.00 1q56 s ALA 70 Ca 0.15 0.18 0.01 0.00 0.00 0.00 0.00 51.96 52.30 1q56 s ALA 70 Cb -0.05 0.63 0.14 0.00 0.00 0.00 0.00 23.12 23.84 1q56 s ALA 70 CO 0.11 -1.08 0.30 -0.51 0.00 0.00 0.00 175.76 174.58 1q56 s LEU 71 N -3.27 0.01 0.51 0.00 1.43 0.49 -0.53 118.68 117.33 1q56 s LEU 71 Ca 0.19 -1.24 0.04 0.00 -1.03 0.00 0.00 54.13 52.09 1q56 s LEU 71 Cb 0.01 0.36 -0.00 0.00 0.03 0.00 0.00 46.19 46.59 1q56 s LEU 71 CO 0.00 -0.34 0.17 0.00 0.23 0.00 0.00 176.35 176.41 1q56 s ALA 72 N 1.88 4.13 -0.05 4.21 0.00 -1.07 0.27 121.76 131.14 1q56 s ALA 72 Ca 0.13 -0.98 0.06 0.00 0.00 0.00 0.00 51.96 51.17 1q56 s ALA 72 Cb -0.15 -0.29 -0.02 0.00 0.00 0.00 0.00 23.12 22.65 1q56 s ALA 72 CO -0.19 -0.20 -0.21 0.42 0.00 0.00 0.00 175.76 175.58 1q56 s ILE 73 N -2.80 2.43 -0.04 0.00 1.01 0.53 -0.96 121.20 121.36 1q56 s ILE 73 Ca 0.21 -0.95 -0.02 0.00 0.00 0.00 0.00 60.65 59.89 1q56 s ILE 73 Cb 0.01 -1.90 0.03 0.00 0.01 0.00 0.00 42.46 40.60 1q56 s ILE 73 CO 0.12 0.58 0.10 -0.69 0.00 0.00 0.00 174.94 175.05 1q56 s VAL 74 N -0.48 -0.04 -1.90 2.92 1.01 0.51 -1.74 120.40 120.69 1q56 s VAL 74 Ca 0.06 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.17 1q56 s VAL 74 Cb -0.11 -0.17 0.00 0.00 0.00 0.00 0.00 36.38 36.10 1q56 s VAL 74 CO 0.01 0.05 0.00 0.47 0.00 0.00 0.00 175.10 175.63 1q56 n ASP 75 N 3.82 -5.42 0.00 3.32 9.92 -0.94 -1.39 116.55 125.87 1q56 n ASP 75 Ca -0.22 0.29 0.00 0.00 -0.53 0.00 0.00 54.79 54.32 1q56 n ASP 75 Cb 0.54 -4.55 0.00 0.00 -0.64 0.00 0.00 41.12 36.46 1q56 n ASP 75 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1q56 n GLY 76 N -0.76 0.53 3.00 0.44 0.00 -1.07 -5.00 105.19 102.33 1q56 n GLY 76 Ca -0.21 -0.74 -0.10 0.00 0.00 0.00 0.00 46.02 44.97 1q56 n GLY 76 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1q56 s PHE 77 N -2.00 0.34 0.50 1.61 0.08 -0.49 -3.16 117.98 114.86 1q56 s PHE 77 Ca 0.00 -0.54 -0.01 0.00 0.12 0.00 0.00 56.93 56.50 1q56 s PHE 77 Cb 0.00 -0.23 0.10 0.00 -0.57 0.00 0.00 43.02 42.32 1q56 s PHE 77 CO 0.00 -0.18 0.68 0.28 -0.10 0.00 0.00 175.22 175.90 1q56 n VAL 78 N 1.54 0.00 -3.65 -0.44 0.31 -1.26 0.19 118.33 115.02 1q56 n VAL 78 Ca -0.24 -1.01 -0.04 0.00 -0.01 0.00 0.00 64.34 63.05 1q56 n VAL 78 Cb 0.55 -1.11 -0.07 0.00 -0.91 0.00 0.00 33.84 32.31 1q56 n VAL 78 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1q56 s GLN 79 N -4.25 0.23 -0.10 5.55 -2.07 -0.14 -1.35 119.66 117.55 1q56 s GLN 79 Ca 0.44 0.32 -0.16 0.00 -1.82 0.00 0.00 55.36 54.14 1q56 s GLN 79 Cb -0.02 0.09 -0.05 0.00 -1.09 0.00 0.00 33.01 31.94 1q56 s GLN 79 CO 0.30 -0.03 0.42 1.41 -1.32 0.00 0.00 175.29 176.06 1q56 s MET 80 N 0.50 4.22 -0.10 9.60 -2.45 -1.17 -2.58 119.30 127.32 1q56 s MET 80 Ca 0.00 0.37 -0.02 0.00 -1.25 0.00 0.00 55.69 54.79 1q56 s MET 80 Cb -0.04 -3.38 -0.03 0.00 1.25 0.00 0.00 34.83 32.63 1q56 s MET 80 CO -0.12 0.31 -0.01 1.41 1.05 0.00 0.00 175.02 177.66 1q56 s MET 81 N 0.15 3.12 -0.28 4.11 1.75 0.32 -1.55 119.30 126.92 1q56 s MET 81 Ca 0.23 -0.45 -0.02 0.00 -1.25 0.00 0.00 55.69 54.21 1q56 s MET 81 Cb -0.15 -2.80 0.09 0.00 2.84 0.00 0.00 34.83 34.81 1q56 s MET 81 CO 0.10 0.59 0.09 0.71 -0.65 0.00 0.00 175.02 175.86 1q56 s TYR 82 N -0.58 1.19 -0.38 4.11 1.51 -0.89 -1.21 117.35 121.09 1q56 s TYR 82 Ca 0.09 -1.32 0.06 0.00 -1.01 0.00 0.00 57.07 54.89 1q56 s TYR 82 Cb -0.12 -1.35 0.50 0.00 -0.11 0.00 0.00 41.96 40.88 1q56 s TYR 82 CO 0.02 -0.81 1.56 -0.25 -1.11 0.00 0.00 175.55 174.96 1q56 n ASP 83 N 5.00 4.20 -0.48 2.29 9.92 0.87 -2.51 116.55 135.84 1q56 n ASP 83 Ca -0.04 -3.77 0.36 0.00 -0.53 0.00 0.00 54.79 50.81 1q56 n ASP 83 Cb 0.43 -0.66 0.56 0.00 -0.64 0.00 0.00 41.12 40.81 1q56 n ASP 83 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1q56 n LEU 84 N -0.99 0.00 -0.01 0.64 -0.00 -1.07 -1.34 117.00 114.23 1q56 n LEU 84 Ca 0.44 0.69 -0.02 0.00 -0.00 0.00 0.00 56.01 57.13 1q56 n LEU 84 Cb 1.01 -0.34 -0.01 0.00 -0.00 0.00 0.00 43.42 44.08 1q56 n LEU 84 CO 0.40 -0.69 -0.57 0.61 -0.00 0.00 0.00 177.39 177.14 1q56 n GLY 85 N -1.63 -0.03 0.00 1.47 0.00 -1.26 -4.75 105.19 98.99 1q56 n GLY 85 Ca 0.30 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 -2.63 0.00 -4.61 1.61 7.64 -0.45 -4.84 113.62 110.34 1q56 n SER 86 Ca -0.04 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.43 1q56 n SER 86 Cb 0.54 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.68 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 0.00 3.96 0.03 1.43 -0.14 -1.26 -4.91 119.74 118.84 1q56 s LYS 87 Ca 0.00 0.40 -0.30 0.00 -1.36 0.00 0.00 55.97 54.71 1q56 s LYS 87 Cb 0.00 -3.71 -0.04 0.00 -1.68 0.00 0.00 37.83 32.40 1q56 s LYS 87 CO 0.00 -0.55 1.05 -1.25 -0.76 0.00 0.00 175.35 173.84 1q56 s PRO 88 N 2.64 4.53 -0.18 -1.68 0.04 -1.26 -3.98 135.00 135.11 1q56 s PRO 88 Ca 0.27 1.54 -0.04 0.00 0.04 0.00 0.00 61.00 62.80 1q56 s PRO 88 Cb -0.15 -3.42 -0.02 0.00 0.04 0.00 0.00 34.50 30.95 1q56 s PRO 88 CO 0.11 -0.10 -0.02 0.54 0.04 0.00 0.00 177.00 177.57 1q56 s VAL 89 N 0.94 3.84 -0.21 -0.36 0.11 -1.04 -4.81 120.40 118.86 1q56 s VAL 89 Ca 0.54 -0.36 -0.05 0.00 -2.93 0.00 0.00 61.98 59.18 1q56 s VAL 89 Cb -0.24 -2.71 -0.02 0.00 -1.53 0.00 0.00 36.38 31.88 1q56 s VAL 89 CO 0.29 0.46 -0.00 0.54 -3.33 0.00 0.00 175.10 173.05 1q56 s VAL 90 N 0.75 3.86 -0.84 2.04 0.11 -1.25 -2.09 120.40 122.98 1q56 s VAL 90 Ca -0.01 -0.34 0.01 0.00 -2.93 0.00 0.00 61.98 58.71 1q56 s VAL 90 Cb -0.14 -2.75 0.25 0.00 -1.53 0.00 0.00 36.38 32.20 1q56 s VAL 90 CO 0.02 0.42 0.91 0.18 -3.33 0.00 0.00 175.10 173.29 1q56 n LEU 91 N 4.42 4.47 -4.20 2.54 7.99 -0.60 -4.87 117.00 126.76 1q56 n LEU 91 Ca -0.17 -5.26 -0.28 0.00 -0.01 0.00 0.00 56.01 50.29 1q56 n LEU 91 Cb 0.52 -0.97 0.27 0.00 -0.11 0.00 0.00 43.42 43.12 1q56 n LEU 91 CO 0.31 1.77 0.30 0.54 -1.51 0.00 0.00 177.39 178.79 1q56 n ARG 92 N 1.59 -4.19 -4.12 3.23 1.74 -1.26 -3.05 116.66 110.61 1q56 n ARG 92 Ca 0.25 -1.24 -0.29 0.00 -0.77 0.00 0.00 57.85 55.80 1q56 n ARG 92 Cb 0.37 -1.86 -0.07 0.00 -1.02 0.00 0.00 32.46 29.88 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 -2.80 5.12 -0.34 0.55 0.15 -0.46 -4.39 113.70 111.54 1q56 s SER 93 Ca 0.62 -0.18 0.09 0.00 0.70 0.00 0.00 55.95 57.18 1q56 s SER 93 Cb -0.12 -1.24 0.67 0.00 -1.71 0.00 0.00 66.02 63.61 1q56 s SER 93 CO 0.53 0.15 1.74 0.35 1.20 0.00 0.00 173.24 177.21 1q56 n THR 94 N 0.35 2.87 -4.36 6.45 -2.24 -1.26 -4.73 114.28 111.37 1q56 n THR 94 Ca -0.10 -1.93 -0.21 0.00 -2.27 0.00 0.00 64.05 59.53 1q56 n THR 94 Cb 0.53 -0.37 -0.13 0.00 -2.10 0.00 0.00 70.33 68.26 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 -3.10 1.29 0.05 2.28 1.01 -1.26 -5.10 120.40 115.56 1q56 s VAL 95 Ca 0.53 -1.17 -0.30 0.00 0.00 0.00 0.00 61.98 61.03 1q56 s VAL 95 Cb 0.44 -1.17 -0.08 0.00 0.00 0.00 0.00 36.38 35.57 1q56 s VAL 95 CO 0.10 -0.01 1.63 -2.16 0.00 0.00 0.00 175.10 174.65 1q56 s PRO 96 N -1.36 4.21 -0.13 2.72 0.04 -1.26 -4.81 135.00 134.41 1q56 s PRO 96 Ca 0.03 2.28 0.02 0.00 0.04 0.00 0.00 61.00 63.36 1q56 s PRO 96 Cb -0.09 -3.64 -0.09 0.00 0.04 0.00 0.00 34.50 30.72 1q56 s PRO 96 CO 0.02 -0.73 -0.10 1.51 0.04 0.00 0.00 177.00 177.74 1q56 n ILE 97 N 4.80 0.74 -0.66 0.56 0.13 -1.19 -4.73 119.36 119.02 1q56 n ILE 97 Ca 0.16 -0.30 -0.25 0.00 -1.10 0.00 0.00 62.75 61.26 1q56 n ILE 97 Cb 0.41 -0.94 -0.03 0.00 -0.84 0.00 0.00 39.64 38.23 1q56 n ILE 97 CO 0.00 0.00 0.00 -0.46 2.80 0.00 0.00 176.55 178.89 1q56 n ASN 98 N -2.84 2.88 -0.02 9.51 6.94 -1.25 -4.07 115.26 126.41 1q56 n ASN 98 Ca -0.23 -2.36 0.01 0.00 -0.02 0.00 0.00 54.58 51.98 1q56 n ASN 98 Cb 0.75 -0.91 0.01 0.00 -2.36 0.00 0.00 39.78 37.27 1q56 n ASN 98 CO 0.00 0.00 0.00 1.07 -1.03 0.00 0.00 177.26 177.30 1q56 n THR 99 N 5.11 0.88 -2.82 5.53 5.66 -1.26 -4.93 114.28 122.46 1q56 n THR 99 Ca 0.37 -0.92 -0.21 0.00 -3.05 0.00 0.00 64.05 60.24 1q56 n THR 99 Cb 0.20 0.52 0.01 0.00 -1.55 0.00 0.00 70.33 69.51 1q56 n THR 99 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1q56 n ASN 100 N -0.49 -5.48 -4.66 1.09 5.15 -1.00 -4.97 115.26 104.91 1q56 n ASN 100 Ca 0.02 -0.16 -0.32 0.00 -0.60 0.00 0.00 54.58 53.51 1q56 n ASN 100 Cb 0.34 -4.50 -0.07 0.00 -0.53 0.00 0.00 39.78 35.02 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 -3.04 1.79 -0.54 1.20 3.76 -1.26 -4.93 115.29 112.26 1q56 s HIS 101 Ca 0.19 -1.04 -0.17 0.00 -0.15 0.00 0.00 55.06 53.89 1q56 s HIS 101 Cb -0.09 -1.52 0.11 0.00 1.11 0.00 0.00 32.58 32.19 1q56 s HIS 101 CO 0.24 0.12 0.55 -1.58 -0.85 0.00 0.00 174.74 173.22 1q56 s TRP 102 N -2.94 3.17 0.50 1.40 0.23 -1.26 -3.64 118.94 116.40 1q56 s TRP 102 Ca 0.05 -1.11 0.04 0.00 -2.03 0.00 0.00 56.10 53.06 1q56 s TRP 102 Cb 0.01 -3.77 0.03 0.00 0.03 0.00 0.00 33.47 29.77 1q56 s TRP 102 CO 0.03 -1.07 0.70 0.99 0.96 0.00 0.00 176.95 178.56 1q56 s THR 103 N 1.97 2.76 -0.16 2.01 2.01 -0.95 -4.86 115.64 118.43 1q56 s THR 103 Ca 0.06 -0.82 0.01 0.00 0.31 0.00 0.00 61.69 61.25 1q56 s THR 103 Cb -0.27 -2.94 0.02 0.00 0.01 0.00 0.00 72.50 69.32 1q56 s THR 103 CO 0.05 0.00 -0.18 -2.28 -0.69 0.00 0.00 174.62 171.52 1q56 s HIS 104 N -2.60 2.47 0.03 4.92 2.46 -1.26 -2.43 115.29 118.89 1q56 s HIS 104 Ca 0.57 -1.40 0.03 0.00 0.47 0.00 0.00 55.06 54.72 1q56 s HIS 104 Cb -0.10 -1.75 -0.04 0.00 -0.13 0.00 0.00 32.58 30.57 1q56 s HIS 104 CO 0.36 -0.71 0.01 0.42 -2.47 0.00 0.00 174.74 172.35 1q56 s ILE 105 N 1.30 4.15 -0.02 0.89 1.01 0.77 0.27 121.20 129.56 1q56 s ILE 105 Ca 0.03 -0.72 -0.03 0.00 0.00 0.00 0.00 60.65 59.93 1q56 s ILE 105 Cb -0.13 -2.90 0.00 0.00 0.01 0.00 0.00 42.46 39.44 1q56 s ILE 105 CO -0.10 0.28 0.08 -0.75 0.00 0.00 0.00 174.94 174.45 1q56 s LYS 106 N -1.84 0.16 -0.18 2.79 2.47 -0.04 -2.58 119.74 120.52 1q56 s LYS 106 Ca 0.22 -0.01 -0.04 0.00 -1.56 0.00 0.00 55.97 54.58 1q56 s LYS 106 Cb -0.12 0.07 0.06 0.00 -1.46 0.00 0.00 37.83 36.38 1q56 s LYS 106 CO 0.14 -0.03 0.06 0.00 0.16 0.00 0.00 175.35 175.68 1q56 s ALA 107 N -0.26 0.74 -0.32 3.13 0.00 -0.58 0.15 121.76 124.61 1q56 s ALA 107 Ca -0.03 -0.51 -0.05 0.00 0.00 0.00 0.00 51.96 51.36 1q56 s ALA 107 Cb -0.02 -1.11 0.04 0.00 0.00 0.00 0.00 23.12 22.03 1q56 s ALA 107 CO 0.00 -1.17 0.07 1.52 0.00 0.00 0.00 175.76 176.18 1q56 s TYR 108 N 1.99 3.25 -0.09 0.00 -0.85 -0.88 -2.26 117.35 118.50 1q56 s TYR 108 Ca 0.00 -1.53 -0.07 0.00 -0.52 0.00 0.00 57.07 54.95 1q56 s TYR 108 Cb -0.17 -2.22 -0.04 0.00 0.38 0.00 0.00 41.96 39.91 1q56 s TYR 108 CO -0.08 -0.74 0.16 0.50 -1.52 0.00 0.00 175.55 173.87 1q56 s ARG 109 N 1.36 3.47 -0.35 -3.49 3.00 -1.01 -1.94 118.95 119.98 1q56 s ARG 109 Ca -0.02 -0.13 0.01 0.00 -1.00 0.00 0.00 55.73 54.59 1q56 s ARG 109 Cb -0.19 -3.17 0.11 0.00 0.00 0.00 0.00 34.95 31.69 1q56 s ARG 109 CO 0.02 0.76 0.12 0.08 0.00 0.00 0.00 175.30 176.27 1q56 s VAL 110 N -1.08 1.46 0.00 7.11 1.01 0.32 -1.38 120.40 127.83 1q56 s VAL 110 Ca 0.18 -1.98 0.00 0.00 0.00 0.00 0.00 61.98 60.18 1q56 s VAL 110 Cb -0.12 -2.07 0.00 0.00 0.00 0.00 0.00 36.38 34.18 1q56 s VAL 110 CO 0.07 -0.70 0.00 0.00 0.00 0.00 0.00 175.10 174.47 1q56 n GLN 111 N 4.35 0.00 0.04 2.72 6.02 -1.16 -1.28 117.38 128.07 1q56 n GLN 111 Ca 0.02 0.00 0.09 0.00 -0.01 0.00 0.00 57.00 57.10 1q56 n GLN 111 Cb 0.40 0.00 0.38 0.00 1.02 0.00 0.00 30.24 32.04 1q56 n GLN 111 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 177.06 178.94 1q56 n ARG 112 N 14.00 0.06 -3.82 -1.09 0.00 -1.26 -4.60 116.66 119.95 1q56 n ARG 112 Ca 0.00 0.28 -0.36 0.00 -0.00 0.00 0.00 57.85 57.77 1q56 n ARG 112 Cb 0.00 -1.61 -0.11 0.00 -0.00 0.00 0.00 32.46 30.73 1q56 n ARG 112 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 1q56 s GLU 113 N -3.09 3.80 0.32 2.89 2.12 -0.40 0.23 118.70 124.57 1q56 s GLU 113 Ca 0.07 -0.41 0.09 0.00 0.36 0.00 0.00 54.97 55.08 1q56 s GLU 113 Cb 0.10 -3.34 -0.05 0.00 0.26 0.00 0.00 34.13 31.10 1q56 s GLU 113 CO 0.32 -0.04 0.03 0.20 -0.54 0.00 0.00 175.26 175.24 1q56 s GLY 114 N 1.24 1.94 0.13 -1.50 0.00 0.44 0.12 107.32 109.69 1q56 s GLY 114 Ca 0.05 -1.86 -0.09 0.00 0.00 0.00 0.00 44.72 42.82 1q56 s GLY 114 CO 0.04 -1.83 0.25 -0.45 0.00 0.00 0.00 173.10 171.11 1q56 s SER 115 N -3.73 0.06 0.05 1.64 0.15 -0.82 -1.03 113.70 110.02 1q56 s SER 115 Ca 0.35 -0.75 -0.00 0.00 0.70 0.00 0.00 55.95 56.24 1q56 s SER 115 Cb -0.02 0.40 -0.03 0.00 -1.71 0.00 0.00 66.02 64.65 1q56 s SER 115 CO 0.20 -0.83 -0.03 -0.22 1.20 0.00 0.00 173.24 173.56 1q56 s LEU 116 N -2.92 2.42 -0.24 3.45 1.98 -0.97 -2.07 118.68 120.33 1q56 s LEU 116 Ca 0.12 -0.86 -0.04 0.00 -2.89 0.00 0.00 54.13 50.46 1q56 s LEU 116 Cb 0.04 0.14 0.13 0.00 0.66 0.00 0.00 46.19 47.15 1q56 s LEU 116 CO -0.05 -0.50 0.44 -1.10 -1.89 0.00 0.00 176.35 173.25 1q56 s GLN 117 N -3.20 0.39 -0.61 1.98 -0.21 0.39 -2.09 119.66 116.31 1q56 s GLN 117 Ca 0.01 0.83 -0.27 0.00 0.02 0.00 0.00 55.36 55.95 1q56 s GLN 117 Cb 0.03 0.02 -0.02 0.00 1.00 0.00 0.00 33.01 34.04 1q56 s GLN 117 CO -0.07 -0.48 1.83 0.08 -2.12 0.00 0.00 175.29 174.53 1q56 s VAL 118 N 2.64 3.38 -1.05 1.09 1.01 -1.26 -0.86 120.40 125.34 1q56 s VAL 118 Ca 0.08 0.22 -0.05 0.00 0.00 0.00 0.00 61.98 62.24 1q56 s VAL 118 Cb -0.14 -3.98 0.01 0.00 0.00 0.00 0.00 36.38 32.27 1q56 s VAL 118 CO -0.16 -0.94 0.60 0.61 0.00 0.00 0.00 175.10 175.21 1q56 n GLY 119 N 5.67 -0.15 3.30 4.51 0.00 0.75 -2.58 105.19 116.71 1q56 n GLY 119 Ca 0.20 -0.09 -0.22 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.45 -6.04 -0.24 1.61 4.13 -0.99 -5.00 115.26 107.29 1q56 n ASN 120 Ca -0.05 -0.43 0.00 0.00 1.68 0.00 0.00 54.58 55.78 1q56 n ASN 120 Cb 0.57 -4.72 0.00 0.00 -1.54 0.00 0.00 39.78 34.09 1q56 n ASN 120 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1q56 n GLU 121 N -4.45 3.19 -1.44 3.52 1.02 -1.06 -4.92 120.64 116.49 1q56 n GLU 121 Ca -0.03 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.75 1q56 n GLU 121 Cb 0.57 0.00 -0.16 0.00 -0.02 0.00 0.00 31.44 31.84 1q56 n GLU 121 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1q56 n ALA 122 N -3.00 0.42 -1.77 0.62 0.00 -1.26 -4.56 120.51 110.96 1q56 n ALA 122 Ca 0.00 -0.36 -0.38 0.00 0.00 0.00 0.00 53.44 52.70 1q56 n ALA 122 Cb 0.00 -2.20 -0.05 0.00 0.00 0.00 0.00 19.45 17.19 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 8.33 4.54 -0.36 0.00 0.04 -1.26 -4.64 135.00 141.66 1q56 s PRO 123 Ca 1.30 1.52 -0.09 0.00 0.04 0.00 0.00 61.00 63.76 1q56 s PRO 123 Cb -1.14 -2.91 0.03 0.00 0.04 0.00 0.00 34.50 30.51 1q56 s PRO 123 CO 0.48 0.20 0.17 0.42 0.04 0.00 0.00 177.00 178.31 1q56 s ILE 124 N -1.44 4.33 0.54 0.56 1.09 -0.89 -4.86 121.20 120.53 1q56 s ILE 124 Ca 0.49 -0.92 0.07 0.00 -1.10 0.00 0.00 60.65 59.19 1q56 s ILE 124 Cb -0.24 -3.41 0.05 0.00 -1.06 0.00 0.00 42.46 37.80 1q56 s ILE 124 CO 0.30 -0.20 0.54 0.42 -0.10 0.00 0.00 174.94 175.91 1q56 s THR 125 N 1.51 1.96 0.00 2.92 -4.23 -1.26 -2.29 115.64 114.25 1q56 s THR 125 Ca 0.01 -1.29 0.00 0.00 -1.18 0.00 0.00 61.69 59.23 1q56 s THR 125 Cb -0.19 -2.25 0.00 0.00 1.34 0.00 0.00 72.50 71.40 1q56 s THR 125 CO 0.05 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.74 1q56 n GLY 126 N -1.92 1.73 3.20 3.99 0.00 -0.19 -4.88 105.19 107.11 1q56 n GLY 126 Ca 0.05 -0.78 -0.12 0.00 0.00 0.00 0.00 46.02 45.18 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 0.33 0.85 1.61 0.01 -1.26 0.17 113.70 115.41 1q56 s SER 127 Ca 0.00 -1.33 -0.07 0.00 1.31 0.00 0.00 55.95 55.86 1q56 s SER 127 Cb 0.00 0.33 0.18 0.00 0.21 0.00 0.00 66.02 66.74 1q56 s SER 127 CO 0.00 -0.79 1.14 -1.54 0.41 0.00 0.00 173.24 172.46 1q56 n SER 128 N -0.24 0.83 -1.98 2.44 3.41 0.62 -4.90 113.62 113.81 1q56 n SER 128 Ca -0.01 -1.86 -0.09 0.00 -0.26 0.00 0.00 58.87 56.66 1q56 n SER 128 Cb 0.65 -0.80 -0.12 0.00 -0.26 0.00 0.00 64.21 63.68 1q56 n SER 128 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1q56 n PRO 129 N -3.25 1.60 -0.32 4.33 -0.04 -1.26 -4.89 135.00 131.16 1q56 n PRO 129 Ca 0.17 -0.72 0.04 0.00 -0.04 0.00 0.00 63.50 62.95 1q56 n PRO 129 Cb 0.58 -1.78 -0.01 0.00 -0.04 0.00 0.00 33.50 32.25 1q56 n PRO 129 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1q56 n LEU 130 N 2.39 0.00 -1.56 1.53 4.32 -1.26 -4.98 117.00 117.44 1q56 n LEU 130 Ca 0.31 0.34 -0.00 0.00 -0.02 0.00 0.00 56.01 56.64 1q56 n LEU 130 Cb 0.74 -1.18 0.00 0.00 -1.62 0.00 0.00 43.42 41.36 1q56 n LEU 130 CO 0.11 -0.79 -0.02 0.61 -1.22 0.00 0.00 177.39 176.09 1q56 n GLY 131 N -1.15 -2.60 0.00 -0.72 0.00 -1.26 -4.98 105.19 94.48 1q56 n GLY 131 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.04 0.00 -2.74 4.61 0.00 -1.26 -4.82 120.51 116.26 1q56 n ALA 132 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 1q56 n ALA 132 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00-11.69 -1.23 0.00 -1.04 -1.26 -4.75 114.28 94.31 1q56 n THR 133 Ca 0.00 1.82 0.00 0.00 -2.04 0.00 0.00 64.05 63.83 1q56 n THR 133 Cb 0.00 -6.78 0.00 0.00 -1.82 0.00 0.00 70.33 61.73 1q56 n THR 133 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 1q56 n GLN 134 N 0.75 0.00 -3.07 -2.82 7.27 -1.26 -4.85 117.38 113.40 1q56 n GLN 134 Ca -0.01 0.00 0.05 0.00 0.07 0.00 0.00 57.00 57.11 1q56 n GLN 134 Cb 0.03 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.68 1q56 n GLN 134 CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 1q56 s LEU 135 N 0.00 -0.35 0.00 1.69 1.98 -1.26 -4.92 118.68 115.83 1q56 s LEU 135 Ca 0.00 -0.00 -0.14 0.00 -2.89 0.00 0.00 54.13 51.10 1q56 s LEU 135 Cb 0.00 1.06 0.21 0.00 0.66 0.00 0.00 46.19 48.12 1q56 s LEU 135 CO 0.00 -0.06 0.48 0.47 -1.89 0.00 0.00 176.35 175.35 1q56 n ASP 136 N 4.81 -3.16 -3.93 3.68 9.92 -1.26 -4.92 116.55 121.69 1q56 n ASP 136 Ca 0.09 -0.49 -0.27 0.00 -0.53 0.00 0.00 54.79 53.59 1q56 n ASP 136 Cb 0.59 -0.73 -0.17 0.00 -0.64 0.00 0.00 41.12 40.17 1q56 n ASP 136 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 1q56 s THR 137 N -1.92 1.07 -1.64 -3.53 -1.32 -1.04 -4.98 115.64 102.27 1q56 s THR 137 Ca 0.37 -0.33 0.01 0.00 -1.21 0.00 0.00 61.69 60.54 1q56 s THR 137 Cb -0.07 -1.07 0.03 0.00 -1.51 0.00 0.00 72.50 69.88 1q56 s THR 137 CO 0.31 0.37 0.75 -0.90 -2.21 0.00 0.00 174.62 172.94 1q56 n ASP 138 N 4.81 0.00 0.00 8.08 5.75 -1.26 -4.73 116.55 129.20 1q56 n ASP 138 Ca -0.14 0.15 0.00 0.00 -0.01 0.00 0.00 54.79 54.79 1q56 n ASP 138 Cb 0.50 -0.18 0.00 0.00 -1.03 0.00 0.00 41.12 40.41 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 -1.07 0.16 3.70 6.12 0.00 -1.26 -4.80 105.19 108.05 1q56 n GLY 139 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.35 3.55 0.01 4.61 0.00 -1.26 -1.79 121.76 125.53 1q56 s ALA 140 Ca 0.00 -0.72 -0.02 0.00 0.00 0.00 0.00 51.96 51.23 1q56 s ALA 140 Cb 0.00 -1.97 -0.01 0.00 0.00 0.00 0.00 23.12 21.14 1q56 s ALA 140 CO 0.00 0.27 0.01 -1.17 0.00 0.00 0.00 175.76 174.87 1q56 s LEU 141 N 0.06 2.05 -0.11 0.00 2.96 -0.63 -4.08 118.68 118.93 1q56 s LEU 141 Ca 0.07 -0.37 -0.01 0.00 -0.22 0.00 0.00 54.13 53.61 1q56 s LEU 141 Cb -0.12 0.23 0.03 0.00 0.50 0.00 0.00 46.19 46.83 1q56 s LEU 141 CO 0.00 -0.28 -0.06 0.26 -1.32 0.00 0.00 176.35 174.96 1q56 s TRP 142 N -1.27 1.32 -0.15 5.38 0.52 -0.62 0.12 118.94 124.24 1q56 s TRP 142 Ca -0.14 -0.64 0.00 0.00 0.02 0.00 0.00 56.10 55.34 1q56 s TRP 142 Cb -0.08 -1.14 0.03 0.00 -1.15 0.00 0.00 33.47 31.12 1q56 s TRP 142 CO -0.00 -0.48 -0.12 -1.17 0.02 0.00 0.00 176.95 175.19 1q56 s LEU 143 N 1.76 1.74 0.00 2.99 2.96 0.52 0.02 118.68 128.67 1q56 s LEU 143 Ca 0.05 -0.55 0.00 0.00 -0.22 0.00 0.00 54.13 53.41 1q56 s LEU 143 Cb -0.13 -1.15 0.00 0.00 0.50 0.00 0.00 46.19 45.42 1q56 s LEU 143 CO -0.08 -0.08 0.00 0.61 -1.32 0.00 0.00 176.35 175.48 1q56 n GLY 144 N 4.78 1.22 0.00 7.98 0.00 0.82 -2.89 105.19 117.10 1q56 n GLY 144 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1q56 n GLY 144 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q56 n GLY 145 N 0.00 0.20 3.33 -0.02 0.00 -0.87 -3.17 105.19 104.66 1q56 n GLY 145 Ca 0.00 -1.20 -0.14 0.00 0.00 0.00 0.00 46.02 44.67 1q56 n GLY 145 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1q56 s MET 146 N -2.00 0.74 -0.17 1.61 1.75 -1.26 -4.72 119.30 115.25 1q56 s MET 146 Ca 0.00 0.08 0.10 0.00 -1.25 0.00 0.00 55.69 54.62 1q56 s MET 146 Cb 0.00 0.34 0.58 0.00 2.84 0.00 0.00 34.83 38.59 1q56 s MET 146 CO 0.00 -0.20 1.38 -1.91 -0.65 0.00 0.00 175.02 173.64 1q56 n GLU 147 N 1.48 3.73 0.00 4.11 2.13 -1.26 -4.34 120.64 126.49 1q56 n GLU 147 Ca -0.19 -2.21 0.00 0.00 0.66 0.00 0.00 57.16 55.42 1q56 n GLU 147 Cb 0.56 -2.04 0.00 0.00 0.27 0.00 0.00 31.44 30.24 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 0.44 0.00 -0.20 5.31 1.85 -1.26 -5.03 116.66 117.77 1q56 n ARG 148 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.04 1q56 n ARG 148 Cb 0.91 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.32 1q56 n ARG 148 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51 1q56 n LEU 149 N 0.00 2.97 0.10 2.89 7.94 -1.26 -3.75 117.00 125.89 1q56 n LEU 149 Ca 0.00 -1.38 0.11 0.00 -1.11 0.00 0.00 56.01 53.63 1q56 n LEU 149 Cb 0.00 -0.59 0.45 0.00 0.53 0.00 0.00 43.42 43.81 1q56 n LEU 149 CO 0.00 0.54 0.84 -1.54 -1.11 0.00 0.00 177.39 176.13 1q56 n SER 150 N 1.27 0.55 0.00 1.96 3.41 -1.26 -4.33 113.62 115.21 1q56 n SER 150 Ca 0.00 0.62 0.00 0.00 -0.26 0.00 0.00 58.87 59.23 1q56 n SER 150 Cb 0.34 -0.74 0.00 0.00 -0.26 0.00 0.00 64.21 63.55 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 -2.08 0.00 -3.93 -3.33 3.14 -1.25 -4.79 118.33 106.09 1q56 n VAL 151 Ca 0.03 0.00 -0.31 0.00 -2.96 0.00 0.00 64.34 61.10 1q56 n VAL 151 Cb 0.25 -0.09 -0.00 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 -1.22 0.00 1.55 0.00 -1.26 -4.69 120.51 111.89 1q56 n ALA 152 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1q56 n ALA 152 Cb 0.00 -3.79 0.00 0.00 0.00 0.00 0.00 19.45 15.66 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 -4.42 0.00 -0.83 0.00 1.44 -1.26 -2.99 115.22 107.15 1q56 n HIS 153 Ca 0.05 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.76 1q56 n HIS 153 Cb 0.51 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.62 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 0.22 -0.30 -1.40 0.00 -1.26 -5.10 118.16 110.31 1q56 n LYS 154 Ca 0.00 -0.42 -0.31 0.00 -0.00 0.00 0.00 58.31 57.58 1q56 n LYS 154 Cb 0.00 -0.58 0.29 0.00 -0.00 0.00 0.00 35.03 34.74 1q56 n LYS 154 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.40 176.92 1q56 s LEU 155 N -0.10 -1.32 0.00 -5.58 0.05 -1.16 -5.04 118.68 105.54 1q56 s LEU 155 Ca 0.00 0.87 0.00 0.00 0.05 0.00 0.00 54.13 55.05 1q56 s LEU 155 Cb 0.00 -2.26 0.00 0.00 -2.05 0.00 0.00 46.19 41.88 1q56 s LEU 155 CO 0.00 -5.52 0.00 -0.81 -0.55 0.00 0.00 176.35 169.47 1q56 n PRO 156 N -5.74 1.40 0.10 1.48 -0.04 -1.26 -4.85 135.00 126.09 1q56 n PRO 156 Ca 0.13 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.63 1q56 n PRO 156 Cb 0.60 0.00 0.21 0.00 -0.04 0.00 0.00 33.50 34.27 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 0.05 -0.30 0.54 4.01 -1.26 -3.07 118.16 118.13 1q56 n LYS 157 Ca 0.00 0.46 0.15 0.00 -0.51 0.00 0.00 58.31 58.41 1q56 n LYS 157 Cb 0.00 -1.97 0.30 0.00 -0.51 0.00 0.00 35.03 32.85 1q56 n LYS 157 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1q56 n ALA 158 N -1.44 0.52 0.04 7.82 0.00 -1.26 0.25 120.51 126.43 1q56 n ALA 158 Ca -0.01 0.94 -0.06 0.00 0.00 0.00 0.00 53.44 54.32 1q56 n ALA 158 Cb 0.31 -0.72 -0.11 0.00 0.00 0.00 0.00 19.45 18.93 1q56 n ALA 158 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 1q56 h TYR 159 N 0.00 0.00 0.00 0.00 -1.99 -1.87 -1.14 116.97 111.98 1q56 h TYR 159 Ca 0.57 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.30 1q56 h TYR 159 Cb 1.23 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.96 1q56 h TYR 159 CO -0.39 0.90 0.00 0.45 -0.00 0.00 0.00 178.16 179.12 1q56 n SER 160 N -3.18 0.00 -3.81 3.88 2.88 0.69 -4.12 113.62 109.97 1q56 n SER 160 Ca -0.07 0.35 -0.30 0.00 -1.33 0.00 0.00 58.87 57.52 1q56 n SER 160 Cb 0.94 -0.43 -0.15 0.00 -0.75 0.00 0.00 64.21 63.83 1q56 n SER 160 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1q56 s THR 161 N -2.85 1.32 0.82 2.46 2.01 0.32 -5.05 115.64 114.68 1q56 s THR 161 Ca 0.10 -1.82 -0.10 0.00 0.31 0.00 0.00 61.69 60.17 1q56 s THR 161 Cb 0.10 -1.98 0.16 0.00 0.01 0.00 0.00 72.50 70.79 1q56 s THR 161 CO 0.26 -0.69 0.36 0.61 -0.69 0.00 0.00 174.62 174.48 1q56 n GLY 162 N 4.49 -1.99 3.80 4.40 0.00 -1.24 -3.68 105.19 110.98 1q56 n GLY 162 Ca 0.01 -0.65 -0.36 0.00 0.00 0.00 0.00 46.02 45.02 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 -1.78 3.65 -0.47 1.61 5.36 -1.19 -4.52 117.98 120.64 1q56 s PHE 163 Ca 0.28 1.57 0.03 0.00 -0.96 0.00 0.00 56.93 57.85 1q56 s PHE 163 Cb -0.05 -2.76 0.14 0.00 -0.34 0.00 0.00 43.02 40.01 1q56 s PHE 163 CO 0.24 0.26 0.27 0.42 -1.46 0.00 0.00 175.22 174.95 1q56 s ILE 164 N -1.59 1.70 0.00 3.12 1.01 -1.26 -0.64 121.20 123.54 1q56 s ILE 164 Ca 0.47 -2.84 0.00 0.00 0.00 0.00 0.00 60.65 58.28 1q56 s ILE 164 Cb -0.17 -2.18 0.00 0.00 0.01 0.00 0.00 42.46 40.12 1q56 s ILE 164 CO 0.22 -0.90 0.00 0.61 0.00 0.00 0.00 174.94 174.87 1q56 n GLY 165 N 3.30 1.71 3.17 6.18 0.00 -1.08 -2.19 105.19 116.29 1q56 n GLY 165 Ca 0.10 -0.57 -0.22 0.00 0.00 0.00 0.00 46.02 45.33 1q56 n GLY 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q56 s ILE 167 N -0.83 1.11 0.08 0.00 1.01 -1.16 0.24 121.20 121.64 1q56 s ILE 167 Ca 0.03 -1.12 -0.25 0.00 0.00 0.00 0.00 60.65 59.31 1q56 s ILE 167 Cb -0.08 -1.03 0.07 0.00 0.01 0.00 0.00 42.46 41.42 1q56 s ILE 167 CO 0.01 -0.08 0.61 -0.60 0.00 0.00 0.00 174.94 174.88 1q56 s ARG 168 N -1.37 1.18 -0.41 2.79 3.52 -0.75 -3.07 118.95 120.83 1q56 s ARG 168 Ca 0.00 -0.21 -0.24 0.00 -0.13 0.00 0.00 55.73 55.16 1q56 s ARG 168 Cb -0.09 0.55 0.03 0.00 -1.56 0.00 0.00 34.95 33.88 1q56 s ARG 168 CO 0.02 -0.46 0.57 -0.25 -0.81 0.00 0.00 175.30 174.36 1q56 n ASP 169 N 0.13 -6.94 -4.17 -2.12 8.00 -1.26 -2.10 116.55 108.09 1q56 n ASP 169 Ca -0.18 0.31 -0.30 0.00 0.71 0.00 0.00 54.79 55.33 1q56 n ASP 169 Cb 0.62 -3.76 -0.17 0.00 -0.02 0.00 0.00 41.12 37.79 1q56 n ASP 169 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1q56 s VAL 170 N -2.03 1.80 -0.06 2.53 -7.23 -1.26 -3.22 120.40 110.93 1q56 s VAL 170 Ca 0.28 -0.88 -0.07 0.00 -1.81 0.00 0.00 61.98 59.51 1q56 s VAL 170 Cb -0.05 -1.57 0.02 0.00 0.56 0.00 0.00 36.38 35.34 1q56 s VAL 170 CO 0.78 0.50 0.18 0.27 -0.31 0.00 0.00 175.10 176.52 1q56 s ILE 171 N 0.37 0.01 -0.14 -0.62 -4.36 0.36 -3.19 121.20 113.63 1q56 s ILE 171 Ca -0.16 -0.10 -0.00 0.00 -0.26 0.00 0.00 60.65 60.13 1q56 s ILE 171 Cb -0.17 -0.29 0.03 0.00 1.25 0.00 0.00 42.46 43.28 1q56 s ILE 171 CO 0.07 -0.05 -0.10 0.54 0.24 0.00 0.00 174.94 175.63 1q56 s VAL 172 N -0.11 1.31 -1.59 8.37 0.11 -1.15 0.25 120.40 127.59 1q56 s VAL 172 Ca -0.02 -0.50 -0.00 0.00 -2.93 0.00 0.00 61.98 58.52 1q56 s VAL 172 Cb -0.02 -1.29 0.00 0.00 -1.53 0.00 0.00 36.38 33.54 1q56 s VAL 172 CO 0.00 0.38 0.06 0.47 -3.33 0.00 0.00 175.10 172.68 1q56 n ASP 173 N 4.85 -5.46 -1.22 3.54 9.92 -0.66 -1.43 116.55 126.09 1q56 n ASP 173 Ca -0.14 -0.04 -0.09 0.00 -0.53 0.00 0.00 54.79 53.98 1q56 n ASP 173 Cb 0.50 -4.49 0.00 0.00 -0.64 0.00 0.00 41.12 36.49 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 -2.90 -1.32 -3.72 -1.24 3.00 -1.26 -5.01 116.66 104.22 1q56 n ARG 174 Ca -0.21 0.43 -0.37 0.00 -0.00 0.00 0.00 57.85 57.70 1q56 n ARG 174 Cb 0.66 -4.36 -0.12 0.00 0.00 0.00 0.00 32.46 28.64 1q56 n ARG 174 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 1q56 s GLN 175 N -4.69 3.73 -0.44 -0.14 -1.52 -0.52 -5.05 119.66 111.03 1q56 s GLN 175 Ca 0.05 -0.44 -0.29 0.00 -1.95 0.00 0.00 55.36 52.73 1q56 s GLN 175 Cb -0.02 -3.40 0.02 0.00 -0.22 0.00 0.00 33.01 29.39 1q56 s GLN 175 CO 0.07 -0.18 1.21 -2.00 -0.25 0.00 0.00 175.29 174.13 1q56 s GLU 176 N 1.63 3.73 -0.83 2.91 2.56 -1.26 -2.93 118.70 124.51 1q56 s GLU 176 Ca 0.06 0.74 -0.26 0.00 0.00 0.00 0.00 54.97 55.52 1q56 s GLU 176 Cb -0.15 -3.92 0.03 0.00 2.00 0.00 0.00 34.13 32.09 1q56 s GLU 176 CO 0.05 -1.37 1.41 -0.51 -0.56 0.00 0.00 175.26 174.28 1q56 s LEU 177 N 4.61 3.28 -0.96 2.70 1.43 -1.19 -4.89 118.68 123.66 1q56 s LEU 177 Ca 0.51 -0.74 -0.27 0.00 -1.03 0.00 0.00 54.13 52.60 1q56 s LEU 177 Cb -0.10 -2.56 -0.22 0.00 0.03 0.00 0.00 46.19 43.34 1q56 s LEU 177 CO 0.30 -1.81 2.53 1.41 0.23 0.00 0.00 176.35 179.01 1q56 n HIS 178 N 9.66 0.48 0.01 0.29 8.25 -1.26 -4.76 115.22 127.89 1q56 n HIS 178 Ca 0.16 0.32 -0.15 0.00 -0.26 0.00 0.00 57.72 57.79 1q56 n HIS 178 Cb 0.50 -2.08 -0.09 0.00 1.12 0.00 0.00 29.99 29.44 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 11.42 -1.66 -0.48 2.41 3.38 -1.98 -2.91 115.31 125.48 1q56 h LEU 179 Ca -0.04 0.20 -0.14 0.00 0.09 0.00 0.00 57.88 57.99 1q56 h LEU 179 Cb 1.24 0.65 -0.02 0.00 0.09 0.00 0.00 40.66 42.61 1q56 h LEU 179 CO 1.36 -0.49 -0.66 0.58 0.09 0.00 0.00 178.44 179.32 1q56 h VAL 180 N -0.60 1.33 -0.02 1.22 2.07 -1.96 -1.50 116.25 116.79 1q56 h VAL 180 Ca 0.03 -2.38 0.01 0.00 0.82 0.00 0.00 66.70 65.18 1q56 h VAL 180 Cb 0.69 2.34 -0.01 0.00 -1.52 0.00 0.00 31.29 32.78 1q56 h VAL 180 CO -0.41 0.65 -0.04 -0.33 0.02 0.00 0.00 177.57 177.45 1q56 h GLU 181 N 0.00 -0.06 0.00 1.57 5.08 -1.89 -3.02 114.58 116.26 1q56 h GLU 181 Ca -0.01 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.17 1q56 h GLU 181 Cb 1.29 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.51 1q56 h GLU 181 CO 0.09 -0.04 -1.79 -0.25 -1.00 0.00 0.00 179.01 176.02 1q56 n ASP 182 N -5.15 2.05 0.27 1.42 8.00 -1.19 -4.38 116.55 117.57 1q56 n ASP 182 Ca -0.06 0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.57 1q56 n ASP 182 Cb 0.09 0.91 0.79 0.00 -0.02 0.00 0.00 41.12 42.89 1q56 n ASP 182 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1q56 h ALA 183 N 0.68 1.38 0.00 2.24 0.00 -1.40 0.33 119.26 122.48 1q56 h ALA 183 Ca -0.28 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1q56 h ALA 183 Cb 1.57 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.35 1q56 h ALA 183 CO 0.02 0.10 0.00 1.28 0.00 0.00 0.00 179.25 180.64 1q56 n LEU 184 N -3.73 0.00 0.06 0.00 7.99 -1.14 -3.11 117.00 117.06 1q56 n LEU 184 Ca -0.02 0.11 0.18 0.00 -0.01 0.00 0.00 56.01 56.27 1q56 n LEU 184 Cb 0.18 -0.11 0.69 0.00 -0.11 0.00 0.00 43.42 44.07 1q56 n LEU 184 CO 0.29 -0.05 1.16 -1.13 -1.51 0.00 0.00 177.39 176.15 1q56 h ASN 185 N 0.00 0.00 -3.58 -1.43 -0.00 -1.18 -3.40 115.58 105.99 1q56 h ASN 185 Ca 0.00 0.00 -0.51 0.00 -0.00 0.00 0.00 56.30 55.79 1q56 h ASN 185 Cb 0.06 0.00 -0.02 0.00 -0.00 0.00 0.00 38.32 38.36 1q56 h ASN 185 CO 0.00 0.00 0.01 0.21 -0.00 0.00 0.00 177.43 177.65 1q56 s ASN 186 N -6.31 6.65 0.58 1.15 3.84 -1.18 -5.04 114.94 114.63 1q56 s ASN 186 Ca -0.05 1.08 -0.19 0.00 0.21 0.00 0.00 52.86 53.91 1q56 s ASN 186 Cb 0.19 -2.29 -0.04 0.00 -0.55 0.00 0.00 41.25 38.56 1q56 s ASN 186 CO 0.70 -0.20 1.22 -2.16 -2.79 0.00 0.00 177.10 173.88 1q56 s PRO 187 N -3.14 3.01 0.28 0.43 0.04 -1.26 -4.73 135.00 129.62 1q56 s PRO 187 Ca 0.50 1.88 0.00 0.00 0.04 0.00 0.00 61.00 63.42 1q56 s PRO 187 Cb -0.11 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.45 1q56 s PRO 187 CO 0.22 -1.19 0.00 -2.37 0.04 0.00 0.00 177.00 173.70 1q56 n THR 188 N -1.49 -1.56 -3.55 1.26 5.66 -1.26 -4.98 114.28 108.35 1q56 n THR 188 Ca 0.13 0.77 -0.18 0.00 -3.05 0.00 0.00 64.05 61.72 1q56 n THR 188 Cb 0.49 -1.24 -0.14 0.00 -1.55 0.00 0.00 70.33 67.90 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 -4.51 -0.31 0.65 1.09 -1.09 -1.26 -5.02 121.20 110.75 1q56 s ILE 189 Ca 0.00 0.02 0.02 0.00 -2.23 0.00 0.00 60.65 58.46 1q56 s ILE 189 Cb 0.00 -0.57 0.10 0.00 -1.58 0.00 0.00 42.46 40.41 1q56 s ILE 189 CO 0.00 -0.11 0.90 -0.76 -1.23 0.00 0.00 174.94 173.74 1q56 s LEU 190 N 2.32 3.08 0.04 2.97 1.43 -1.26 -5.05 118.68 122.20 1q56 s LEU 190 Ca 0.05 -0.43 -0.03 0.00 -1.03 0.00 0.00 54.13 52.69 1q56 s LEU 190 Cb -0.15 -2.06 -0.01 0.00 0.03 0.00 0.00 46.19 44.01 1q56 s LEU 190 CO -0.10 -1.60 -0.06 1.41 0.23 0.00 0.00 176.35 176.23 1q56 n HIS 191 N -2.59 0.00 0.00 0.29 8.25 -1.26 -3.48 115.22 116.43 1q56 n HIS 191 Ca 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.60 1q56 n HIS 191 Cb 0.61 -0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.62 1q56 n HIS 191 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1q56 s SER 193 N 0.00 1.59 0.00 0.00 0.01 -1.26 -4.97 113.70 109.07 1q56 s SER 193 Ca 0.00 -0.55 0.00 0.00 1.31 0.00 0.00 55.95 56.71 1q56 s SER 193 Cb 0.00 -0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.17 1q56 s SER 193 CO 0.00 -0.05 0.00 0.00 0.41 0.00 0.00 173.24 173.60 1q56 n ALA 194 N 1.53 0.00 -0.52 1.44 0.00 -1.26 -5.15 120.51 116.56 1q56 n ALA 194 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1q56 n ALA 194 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 1q56 n ALA 194 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86