#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 -6.79 -3.52 1.61 2.88 -1.26 -2.46 113.62 104.08 1q56 n SER 2 Ca 0.00 0.16 -0.19 0.00 -1.33 0.00 0.00 58.87 57.51 1q56 n SER 2 Cb 0.00 -3.65 0.08 0.00 -0.75 0.00 0.00 64.21 59.89 1q56 n SER 2 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1q56 n GLU 3 N -0.38 -6.55 -2.33 -1.46 1.02 -1.26 -4.33 120.64 105.36 1q56 n GLU 3 Ca 0.01 0.80 -0.00 0.00 -0.02 0.00 0.00 57.16 57.95 1q56 n GLU 3 Cb 0.57 -5.75 -0.00 0.00 -0.02 0.00 0.00 31.44 26.24 1q56 n GLU 3 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1q56 n LYS 4 N -4.33 -4.04 -2.10 3.49 4.76 -1.21 -4.78 118.16 109.96 1q56 n LYS 4 Ca -0.23 2.94 -0.42 0.00 -2.87 0.00 0.00 58.31 57.73 1q56 n LYS 4 Cb 0.65 -3.83 -0.03 0.00 -1.84 0.00 0.00 35.03 29.98 1q56 n LYS 4 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1q56 s VAL 5 N -0.47 3.58 0.66 -0.18 -7.23 -1.03 -4.98 120.40 110.75 1q56 s VAL 5 Ca -0.02 0.87 -0.15 0.00 -1.81 0.00 0.00 61.98 60.87 1q56 s VAL 5 Cb 0.00 -3.56 0.00 0.00 0.56 0.00 0.00 36.38 33.38 1q56 s VAL 5 CO 0.06 -0.04 1.10 0.27 -0.31 0.00 0.00 175.10 176.19 1q56 s ILE 6 N 3.15 3.33 -1.01 -0.62 -5.25 -1.26 -4.97 121.20 114.57 1q56 s ILE 6 Ca 0.69 0.60 -0.08 0.00 -0.99 0.00 0.00 60.65 60.86 1q56 s ILE 6 Cb -0.33 -3.12 0.25 0.00 2.95 0.00 0.00 42.46 42.21 1q56 s ILE 6 CO 0.28 -0.40 0.97 -0.63 -1.79 0.00 0.00 174.94 173.36 1q56 s ILE 7 N -2.41 5.51 0.17 8.37 1.01 -1.26 -5.04 121.20 127.55 1q56 s ILE 7 Ca 0.66 -3.39 -0.32 0.00 0.00 0.00 0.00 60.65 57.60 1q56 s ILE 7 Cb -0.20 -4.35 -0.11 0.00 0.01 0.00 0.00 42.46 37.82 1q56 s ILE 7 CO 0.42 -1.13 1.66 -1.83 0.00 0.00 0.00 174.94 174.06 1q56 s GLU 8 N -1.06 4.17 -0.63 2.79 -1.05 -1.26 -4.89 118.70 116.77 1q56 s GLU 8 Ca 0.28 2.48 -0.27 0.00 -0.15 0.00 0.00 54.97 57.31 1q56 s GLU 8 Cb -0.10 -3.19 0.00 0.00 -0.44 0.00 0.00 34.13 30.41 1q56 s GLU 8 CO -0.09 -0.69 1.61 0.21 0.95 0.00 0.00 175.26 177.24 1q56 s LYS 9 N 1.39 2.94 -0.23 -4.83 2.36 -1.26 -4.96 119.74 115.16 1q56 s LYS 9 Ca 0.73 0.37 -0.29 0.00 -2.55 0.00 0.00 55.97 54.24 1q56 s LYS 9 Cb -0.46 -4.27 -0.00 0.00 -1.05 0.00 0.00 37.83 32.05 1q56 s LYS 9 CO 0.32 -2.38 1.20 0.00 1.55 0.00 0.00 175.35 176.04 1q56 s ALA 10 N 7.47 3.58 -0.09 3.13 0.00 -1.26 -4.90 121.76 129.69 1q56 s ALA 10 Ca 0.56 0.25 -0.06 0.00 0.00 0.00 0.00 51.96 52.71 1q56 s ALA 10 Cb -0.11 -3.65 -0.25 0.00 0.00 0.00 0.00 23.12 19.11 1q56 s ALA 10 CO 0.20 -1.32 3.49 0.00 0.00 0.00 0.00 175.76 178.13 1q56 n ALA 11 N 6.82 6.26 -2.81 0.00 0.00 -1.26 -4.57 120.51 124.94 1q56 n ALA 11 Ca 0.13 -1.86 -0.35 0.00 0.00 0.00 0.00 53.44 51.37 1q56 n ALA 11 Cb 0.46 -2.38 -0.01 0.00 0.00 0.00 0.00 19.45 17.52 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 2.58 5.83 0.26 0.00 0.00 -1.26 -4.60 105.19 107.99 1q56 n GLY 12 Ca 0.43 -2.68 0.02 0.00 0.00 0.00 0.00 46.02 43.80 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 -0.04 2.20 -2.95 1.61 5.75 -1.26 -4.71 116.55 117.15 1q56 n ASP 13 Ca 0.39 -1.84 -0.28 0.00 -0.01 0.00 0.00 54.79 53.04 1q56 n ASP 13 Cb 0.32 -0.08 -0.03 0.00 -1.03 0.00 0.00 41.12 40.30 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 0.00 4.84 -0.94 2.12 0.00 -1.26 -4.97 120.51 120.30 1q56 n ALA 14 Ca 0.05 -4.67 -0.43 0.00 0.00 0.00 0.00 53.44 48.39 1q56 n ALA 14 Cb 0.29 -0.83 -0.08 0.00 0.00 0.00 0.00 19.45 18.82 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 -0.26 0.91 -3.05 0.00 0.28 -1.26 -4.90 120.64 112.36 1q56 n GLU 15 Ca 0.33 -1.54 -0.39 0.00 -0.16 0.00 0.00 57.16 55.40 1q56 n GLU 15 Cb 0.40 -2.81 -0.06 0.00 1.43 0.00 0.00 31.44 30.41 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 6.21 3.46 -0.20 -1.84 0.00 -1.26 -4.86 121.76 123.27 1q56 s ALA 16 Ca 0.63 0.27 -0.04 0.00 0.00 0.00 0.00 51.96 52.82 1q56 s ALA 16 Cb 0.14 -2.88 -0.01 0.00 0.00 0.00 0.00 23.12 20.36 1q56 s ALA 16 CO 0.21 0.32 -0.05 0.42 0.00 0.00 0.00 175.76 176.66 1q56 s ILE 17 N -1.23 3.45 -0.19 0.00 -1.09 -1.20 -2.50 121.20 118.45 1q56 s ILE 17 Ca 0.36 -0.48 -0.27 0.00 -2.23 0.00 0.00 60.65 58.03 1q56 s ILE 17 Cb -0.21 -2.55 -0.00 0.00 -1.58 0.00 0.00 42.46 38.12 1q56 s ILE 17 CO 0.24 0.44 0.93 0.00 -1.23 0.00 0.00 174.94 175.32 1q56 s ALA 18 N 1.18 3.58 -0.01 9.38 0.00 0.19 -2.65 121.76 133.42 1q56 s ALA 18 Ca 0.02 0.11 -0.13 0.00 0.00 0.00 0.00 51.96 51.96 1q56 s ALA 18 Cb -0.14 -3.38 -0.05 0.00 0.00 0.00 0.00 23.12 19.54 1q56 s ALA 18 CO -0.01 -0.83 0.37 -0.06 0.00 0.00 0.00 175.76 175.24 1q56 s PHE 19 N 2.60 3.71 -0.88 0.00 0.40 0.54 -4.58 117.98 119.76 1q56 s PHE 19 Ca 0.41 0.92 0.13 0.00 -0.60 0.00 0.00 56.93 57.79 1q56 s PHE 19 Cb -0.16 -2.23 -0.08 0.00 0.51 0.00 0.00 43.02 41.06 1q56 s PHE 19 CO 0.10 0.65 0.64 -0.40 0.70 0.00 0.00 175.22 176.92 1q56 n ASP 20 N 1.80 0.98 0.00 1.36 5.68 -1.23 -2.70 116.55 122.44 1q56 n ASP 20 Ca -0.15 -0.99 0.00 0.00 -0.50 0.00 0.00 54.79 53.16 1q56 n ASP 20 Cb 0.53 0.77 0.00 0.00 -1.14 0.00 0.00 41.12 41.27 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 1.19 1.37 0.00 6.12 0.00 0.38 -4.75 105.19 109.49 1q56 n GLY 21 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.54 0.31 -3.30 1.61 3.00 -1.26 0.29 116.66 116.77 1q56 n ARG 22 Ca 0.00 -0.33 -0.43 0.00 -0.00 0.00 0.00 57.85 57.09 1q56 n ARG 22 Cb 0.00 -0.81 -0.09 0.00 0.00 0.00 0.00 32.46 31.56 1q56 n ARG 22 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 1q56 s THR 23 N -0.14 5.06 0.17 5.15 2.01 -1.26 -4.99 115.64 121.65 1q56 s THR 23 Ca 0.00 -0.31 0.03 0.00 0.31 0.00 0.00 61.69 61.72 1q56 s THR 23 Cb 0.00 -4.06 -0.03 0.00 0.01 0.00 0.00 72.50 68.42 1q56 s THR 23 CO 0.00 -0.44 0.30 -0.72 -0.69 0.00 0.00 174.62 173.07 1q56 s TYR 24 N 2.20 3.47 -0.33 4.92 -0.85 -1.26 -4.66 117.35 120.83 1q56 s TYR 24 Ca 0.13 0.08 0.03 0.00 -0.52 0.00 0.00 57.07 56.79 1q56 s TYR 24 Cb -0.17 -1.64 0.10 0.00 0.38 0.00 0.00 41.96 40.63 1q56 s TYR 24 CO 0.14 0.50 0.05 -1.64 -1.52 0.00 0.00 175.55 173.08 1q56 s MET 25 N -3.40 1.36 -0.56 -3.49 -1.94 -1.07 -4.88 119.30 105.32 1q56 s MET 25 Ca 0.34 -1.72 -0.28 0.00 -1.71 0.00 0.00 55.69 52.32 1q56 s MET 25 Cb -0.11 -2.98 0.02 0.00 2.01 0.00 0.00 34.83 33.78 1q56 s MET 25 CO 0.28 -0.94 1.29 -1.83 -0.01 0.00 0.00 175.02 173.81 1q56 s GLU 26 N 1.04 3.45 -0.57 2.03 4.04 -1.26 -2.48 118.70 124.93 1q56 s GLU 26 Ca 0.10 0.37 -0.15 0.00 0.04 0.00 0.00 54.97 55.34 1q56 s GLU 26 Cb -0.19 -4.05 0.14 0.00 0.02 0.00 0.00 34.13 30.05 1q56 s GLU 26 CO -0.11 -1.76 0.51 0.71 -1.84 0.00 0.00 175.26 172.77 1q56 s TYR 27 N 5.37 3.35 -0.57 4.83 2.02 0.18 -4.56 117.35 127.97 1q56 s TYR 27 Ca 0.48 -1.49 -0.20 0.00 -0.37 0.00 0.00 57.07 55.49 1q56 s TYR 27 Cb -0.09 -3.75 0.08 0.00 -0.40 0.00 0.00 41.96 37.80 1q56 s TYR 27 CO 0.26 -1.01 0.73 -1.01 -1.57 0.00 0.00 175.55 172.95 1q56 s HIS 28 N 1.35 2.95 -0.03 2.71 3.76 -1.26 -2.56 115.29 122.21 1q56 s HIS 28 Ca 0.06 -0.70 0.07 0.00 -0.15 0.00 0.00 55.06 54.33 1q56 s HIS 28 Cb -0.27 -3.91 -0.02 0.00 1.11 0.00 0.00 32.58 29.50 1q56 s HIS 28 CO 0.01 -1.27 -0.24 1.21 -0.85 0.00 0.00 174.74 173.60 1q56 s ASN 29 N 3.28 2.81 -0.80 1.40 2.47 -1.26 -5.02 114.94 117.82 1q56 s ASN 29 Ca 0.15 -0.44 -0.22 0.00 0.42 0.00 0.00 52.86 52.77 1q56 s ASN 29 Cb -0.21 -0.45 0.08 0.00 -1.45 0.00 0.00 41.25 39.22 1q56 s ASN 29 CO 0.09 0.27 1.13 0.00 -3.72 0.00 0.00 177.10 174.88 1q56 s ALA 30 N -0.43 3.07 0.00 1.71 0.00 -1.26 -4.82 121.76 120.03 1q56 s ALA 30 Ca 0.05 -2.11 0.00 0.00 0.00 0.00 0.00 51.96 49.91 1q56 s ALA 30 Cb -0.10 -4.07 0.00 0.00 0.00 0.00 0.00 23.12 18.94 1q56 s ALA 30 CO 0.00 -3.04 0.52 1.33 0.00 0.00 0.00 175.76 174.57 1q56 n VAL 31 N 6.02 0.00 -3.61 0.00 0.24 -1.26 -4.92 118.33 114.80 1q56 n VAL 31 Ca 0.11 1.02 -0.00 0.00 -2.04 0.00 0.00 64.34 63.42 1q56 n VAL 31 Cb 0.48 -1.52 -0.01 0.00 -1.47 0.00 0.00 33.84 31.32 1q56 n VAL 31 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1q56 s THR 32 N -1.08 0.00 -0.76 3.34 -1.32 -1.26 -5.08 115.64 109.49 1q56 s THR 32 Ca 0.00 -0.08 -0.26 0.00 -1.21 0.00 0.00 61.69 60.15 1q56 s THR 32 Cb 0.00 -1.53 -0.01 0.00 -1.51 0.00 0.00 72.50 69.46 1q56 s THR 32 CO 0.00 0.00 1.69 -0.54 -2.21 0.00 0.00 174.62 173.56 1q56 s LYS 33 N -2.26 2.87 0.00 7.08 -0.14 -1.26 -3.74 119.74 122.29 1q56 s LYS 33 Ca 0.13 -0.01 0.00 0.00 -1.36 0.00 0.00 55.97 54.72 1q56 s LYS 33 Cb 0.03 -4.61 0.00 0.00 -1.68 0.00 0.00 37.83 31.57 1q56 s LYS 33 CO -0.04 -2.67 0.00 0.45 -0.76 0.00 0.00 175.35 172.33 1q56 n SER 34 N 11.71 0.00 -1.65 2.83 2.88 -1.26 -5.12 113.62 123.01 1q56 n SER 34 Ca 0.22 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.76 1q56 n SER 34 Cb 0.50 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 1q56 n SER 34 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1q56 n GLU 35 N 0.00 -4.15 -4.76 -1.46 2.13 -1.25 -5.03 120.64 106.13 1q56 n GLU 35 Ca 0.00 3.06 -0.30 0.00 0.66 0.00 0.00 57.16 60.58 1q56 n GLU 35 Cb 0.00 -3.16 -0.14 0.00 0.27 0.00 0.00 31.44 28.41 1q56 n GLU 35 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1q56 s LYS 36 N -1.33 1.75 -0.28 5.31 1.02 -1.26 -5.02 119.74 119.93 1q56 s LYS 36 Ca 0.00 -1.15 0.00 0.00 0.02 0.00 0.00 55.97 54.84 1q56 s LYS 36 Cb 0.00 -1.99 0.02 0.00 -0.52 0.00 0.00 37.83 35.34 1q56 s LYS 36 CO 0.00 0.50 0.97 0.00 -0.92 0.00 0.00 175.35 175.90 1q56 n ALA 37 N 1.55 -2.72 -3.00 5.17 0.00 -1.26 -4.07 120.51 116.18 1q56 n ALA 37 Ca -0.17 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 52.97 1q56 n ALA 37 Cb 0.52 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.99 1q56 n ALA 37 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1q56 n LEU 38 N -0.46 0.00 0.00 0.00 -0.00 -1.26 -4.89 117.00 110.39 1q56 n LEU 38 Ca -0.28 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.73 1q56 n LEU 38 Cb 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.03 1q56 n LEU 38 CO -0.11 0.00 0.00 1.67 -0.00 0.00 0.00 177.39 178.95 1q56 n GLN 39 N 0.00 0.00 -4.21 1.47 7.27 -1.26 -4.66 117.38 115.99 1q56 n GLN 39 Ca 0.00 0.00 -0.17 0.00 0.07 0.00 0.00 57.00 56.90 1q56 n GLN 39 Cb 0.00 0.00 -0.07 0.00 2.41 0.00 0.00 30.24 32.58 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 -3.95 1.31 0.22 1.69 0.15 -1.25 -2.54 113.70 109.32 1q56 s SER 40 Ca 0.00 -1.64 0.11 0.00 0.70 0.00 0.00 55.95 55.13 1q56 s SER 40 Cb 0.00 0.59 -0.05 0.00 -1.71 0.00 0.00 66.02 64.85 1q56 s SER 40 CO 0.00 -1.14 -0.22 0.20 1.20 0.00 0.00 173.24 173.28 1q56 s ASN 41 N -3.31 3.53 -0.21 5.45 0.02 -0.53 -4.92 114.94 114.98 1q56 s ASN 41 Ca 0.37 -0.90 0.01 0.00 -1.02 0.00 0.00 52.86 51.32 1q56 s ASN 41 Cb 0.02 -0.29 0.03 0.00 0.02 0.00 0.00 41.25 41.02 1q56 s ASN 41 CO 0.24 0.09 -0.16 -1.00 0.02 0.00 0.00 177.10 176.29 1q56 s HIS 42 N -1.93 2.92 -0.22 2.20 3.76 -1.26 -2.92 115.29 117.84 1q56 s HIS 42 Ca 0.24 -1.76 -0.04 0.00 -0.15 0.00 0.00 55.06 53.35 1q56 s HIS 42 Cb -0.07 -1.94 -0.01 0.00 1.11 0.00 0.00 32.58 31.67 1q56 s HIS 42 CO 0.12 -0.81 -0.05 -0.06 -0.85 0.00 0.00 174.74 173.09 1q56 s PHE 43 N 1.26 2.95 -0.01 1.40 0.08 -1.16 -1.95 117.98 120.55 1q56 s PHE 43 Ca 0.01 -0.96 0.04 0.00 0.12 0.00 0.00 56.93 56.15 1q56 s PHE 43 Cb -0.15 -2.09 -0.01 0.00 -0.57 0.00 0.00 43.02 40.20 1q56 s PHE 43 CO -0.10 -0.55 -0.13 -1.21 -0.10 0.00 0.00 175.22 173.13 1q56 s GLU 44 N 1.44 1.04 -0.25 0.44 2.02 0.95 -1.96 118.70 122.38 1q56 s GLU 44 Ca 0.05 -0.46 -0.30 0.00 0.02 0.00 0.00 54.97 54.29 1q56 s GLU 44 Cb -0.14 -1.00 0.18 0.00 0.10 0.00 0.00 34.13 33.26 1q56 s GLU 44 CO -0.04 0.27 1.28 -0.48 0.02 0.00 0.00 175.26 176.32 1q56 s LEU 45 N -0.30 -0.11 0.08 1.80 2.34 -0.90 0.16 118.68 121.75 1q56 s LEU 45 Ca 0.05 0.11 0.10 0.00 0.06 0.00 0.00 54.13 54.45 1q56 s LEU 45 Cb -0.05 1.26 -0.03 0.00 -0.56 0.00 0.00 46.19 46.81 1q56 s LEU 45 CO -0.00 -0.11 -0.26 -0.44 -1.06 0.00 0.00 176.35 174.47 1q56 s SER 46 N -1.12 3.17 0.04 1.48 0.01 -0.83 -0.69 113.70 115.76 1q56 s SER 46 Ca 0.07 -0.65 0.00 0.00 1.31 0.00 0.00 55.95 56.68 1q56 s SER 46 Cb -0.01 -0.26 -0.00 0.00 0.21 0.00 0.00 66.02 65.96 1q56 s SER 46 CO -0.06 0.22 0.01 2.30 0.41 0.00 0.00 173.24 176.13 1q56 n ILE 47 N 1.46 0.00 -3.70 1.44 -6.64 -1.06 -0.80 119.36 110.06 1q56 n ILE 47 Ca -0.17 -0.20 -0.12 0.00 -1.77 0.00 0.00 62.75 60.48 1q56 n ILE 47 Cb 0.52 0.06 -0.10 0.00 -1.44 0.00 0.00 39.64 38.69 1q56 n ILE 47 CO 0.00 0.00 0.00 -0.75 -1.77 0.00 0.00 176.55 174.03 1q56 s LYS 48 N -2.14 0.52 0.39 6.28 2.20 0.86 -1.43 119.74 126.42 1q56 s LYS 48 Ca 0.01 0.73 0.00 0.00 -0.36 0.00 0.00 55.97 56.35 1q56 s LYS 48 Cb 0.00 0.18 0.00 0.00 -1.51 0.00 0.00 37.83 36.51 1q56 s LYS 48 CO 0.01 -0.10 0.00 0.25 -0.36 0.00 0.00 175.35 175.15 1q56 n THR 49 N 3.29 -0.49 -1.40 3.43 -2.24 -1.26 0.29 114.28 115.91 1q56 n THR 49 Ca -0.16 0.56 -0.01 0.00 -2.27 0.00 0.00 64.05 62.17 1q56 n THR 49 Cb 0.56 -0.88 -0.01 0.00 -2.10 0.00 0.00 70.33 67.91 1q56 n THR 49 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1q56 n GLU 50 N -3.81 0.00 0.00 -0.78 2.13 0.04 -3.85 120.64 114.37 1q56 n GLU 50 Ca -0.05 -0.08 0.00 0.00 0.66 0.00 0.00 57.16 57.68 1q56 n GLU 50 Cb 0.49 0.13 0.00 0.00 0.27 0.00 0.00 31.44 32.33 1q56 n GLU 50 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1q56 n ALA 51 N 0.00 0.00 0.00 4.31 0.00 -0.66 -4.32 120.51 119.84 1q56 n ALA 51 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1q56 n ALA 51 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.67 1q56 n ALA 51 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1q56 n THR 52 N 0.00 0.00 -5.04 0.00 -2.24 -1.26 -4.68 114.28 101.06 1q56 n THR 52 Ca 0.00 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.48 1q56 n THR 52 Cb 0.00 -0.00 -0.17 0.00 -2.10 0.00 0.00 70.33 68.06 1q56 n THR 52 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1q56 s GLN 53 N -1.03 2.53 0.00 -0.78 2.00 -1.26 -1.40 119.66 119.73 1q56 s GLN 53 Ca 0.00 -0.75 0.00 0.00 -2.00 0.00 0.00 55.36 52.61 1q56 s GLN 53 Cb 0.00 -1.99 0.00 0.00 0.80 0.00 0.00 33.01 31.82 1q56 s GLN 53 CO 0.00 0.18 0.00 0.41 -0.50 0.00 0.00 175.29 175.38 1q56 n GLY 54 N 3.47 2.77 3.67 2.59 0.00 -0.80 -4.73 105.19 112.16 1q56 n GLY 54 Ca -0.20 -0.06 -0.40 0.00 0.00 0.00 0.00 46.02 45.37 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 4.17 0.00 0.99 0.05 0.63 0.80 118.68 125.32 1q56 s LEU 55 Ca 0.00 0.87 0.16 0.00 0.05 0.00 0.00 54.13 55.21 1q56 s LEU 55 Cb 0.00 -2.90 -0.18 0.00 -2.05 0.00 0.00 46.19 41.05 1q56 s LEU 55 CO 0.00 -0.25 0.70 -0.38 -0.55 0.00 0.00 176.35 175.87 1q56 n ILE 56 N 4.55 1.31 -3.92 1.48 -0.00 0.75 -1.64 119.36 121.89 1q56 n ILE 56 Ca -0.02 -0.73 -0.10 0.00 -0.00 0.00 0.00 62.75 61.90 1q56 n ILE 56 Cb 0.50 -0.79 -0.10 0.00 -0.00 0.00 0.00 39.64 39.25 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 -5.81 1.80 -0.30 1.39 0.20 0.03 0.29 118.68 116.27 1q56 s LEU 57 Ca -0.04 -0.39 0.01 0.00 0.69 0.00 0.00 54.13 54.40 1q56 s LEU 57 Cb 0.08 0.52 0.19 0.00 -0.43 0.00 0.00 46.19 46.56 1q56 s LEU 57 CO 0.82 -0.40 0.60 0.86 -0.29 0.00 0.00 176.35 177.94 1q56 s TRP 58 N -1.83 -1.67 0.20 5.38 -0.11 0.20 0.14 118.94 121.25 1q56 s TRP 58 Ca -0.12 1.51 0.11 0.00 1.22 0.00 0.00 56.10 58.82 1q56 s TRP 58 Cb -0.06 0.49 -0.04 0.00 -1.50 0.00 0.00 33.47 32.35 1q56 s TRP 58 CO -0.01 -0.93 -0.22 -1.12 -4.62 0.00 0.00 176.95 170.05 1q56 s SER 59 N 2.85 3.25 0.00 5.86 0.01 -0.11 -2.32 113.70 123.25 1q56 s SER 59 Ca 0.17 -0.90 0.00 0.00 1.31 0.00 0.00 55.95 56.54 1q56 s SER 59 Cb -0.13 -0.23 0.00 0.00 0.21 0.00 0.00 66.02 65.86 1q56 s SER 59 CO -0.22 0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.10 1q56 n GLY 60 N 0.10 0.00 4.70 3.44 0.00 -1.26 -2.49 105.19 109.68 1q56 n GLY 60 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1q56 n GLY 60 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1q56 n LYS 61 N -0.45 0.00 0.00 1.61 0.00 -1.26 -4.66 118.16 113.40 1q56 n LYS 61 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 1q56 n LYS 61 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 35.03 34.95 1q56 n LYS 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1q56 n GLY 62 N 0.00 1.33 3.06 3.14 0.00 -1.26 -4.76 105.19 106.70 1q56 n GLY 62 Ca 0.00 0.13 -0.01 0.00 0.00 0.00 0.00 46.02 46.14 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 -4.61 -1.96 0.99 4.32 -1.26 -4.70 117.00 109.79 1q56 n LEU 63 Ca 0.00 0.90 -0.12 0.00 -0.02 0.00 0.00 56.01 56.77 1q56 n LEU 63 Cb 0.00 -1.82 -0.11 0.00 -1.62 0.00 0.00 43.42 39.87 1q56 n LEU 63 CO 0.00 -2.43 1.46 -0.62 -1.22 0.00 0.00 177.39 174.58 1q56 n GLU 64 N 1.88 1.83 -1.76 3.23 4.71 -1.26 -3.69 120.64 125.59 1q56 n GLU 64 Ca -0.04 -1.01 -0.02 0.00 -0.01 0.00 0.00 57.16 56.09 1q56 n GLU 64 Cb 0.24 -1.78 0.04 0.00 -1.01 0.00 0.00 31.44 28.93 1q56 n GLU 64 CO 0.00 0.00 0.00 2.89 0.09 0.00 0.00 177.13 180.11 1q56 n ARG 65 N 1.93 0.54 -3.91 3.49 1.85 -1.26 -5.15 116.66 114.15 1q56 n ARG 65 Ca 0.34 -0.62 -0.15 0.00 -1.00 0.00 0.00 57.85 56.42 1q56 n ARG 65 Cb 0.76 0.30 -0.04 0.00 -1.05 0.00 0.00 32.46 32.44 1q56 n ARG 65 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1q56 n SER 66 N -0.61 -1.18 -0.05 2.89 2.88 -1.24 -5.00 113.62 111.31 1q56 n SER 66 Ca -0.11 -2.85 -0.03 0.00 -1.33 0.00 0.00 58.87 54.55 1q56 n SER 66 Cb 0.65 2.26 -0.09 0.00 -0.75 0.00 0.00 64.21 66.28 1q56 n SER 66 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1q56 n ASP 67 N -1.67 2.20 0.00 -3.46 9.92 0.12 -4.99 116.55 118.67 1q56 n ASP 67 Ca 0.02 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.28 1q56 n ASP 67 Cb 0.56 0.95 0.00 0.00 -0.64 0.00 0.00 41.12 41.99 1q56 n ASP 67 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1q56 n TYR 68 N -2.31 0.00 -3.53 1.24 4.01 0.16 -4.40 117.16 112.34 1q56 n TYR 68 Ca -0.15 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.44 1q56 n TYR 68 Cb 0.75 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.73 1q56 n TYR 68 CO 0.00 0.00 0.00 0.96 -0.46 0.00 0.00 176.86 177.36 1q56 s ILE 69 N 0.00 0.01 0.20 -0.72 -4.36 -1.04 -3.49 121.20 111.80 1q56 s ILE 69 Ca 0.00 -0.09 -0.23 0.00 -0.26 0.00 0.00 60.65 60.07 1q56 s ILE 69 Cb 0.00 -0.98 0.07 0.00 1.25 0.00 0.00 42.46 42.80 1q56 s ILE 69 CO 0.00 -0.05 0.96 0.00 0.24 0.00 0.00 174.94 176.09 1q56 s ALA 70 N -2.09 -1.50 -0.16 2.27 0.00 -0.99 -0.93 121.76 118.37 1q56 s ALA 70 Ca -0.07 -0.19 -0.11 0.00 0.00 0.00 0.00 51.96 51.60 1q56 s ALA 70 Cb -0.01 0.70 0.05 0.00 0.00 0.00 0.00 23.12 23.86 1q56 s ALA 70 CO 0.02 -1.05 0.39 -0.51 0.00 0.00 0.00 175.76 174.61 1q56 s LEU 71 N -3.14 0.20 0.35 0.00 1.43 0.38 -2.58 118.68 115.33 1q56 s LEU 71 Ca 0.16 0.82 -0.00 0.00 -1.03 0.00 0.00 54.13 54.08 1q56 s LEU 71 Cb -0.03 1.30 -0.00 0.00 0.03 0.00 0.00 46.19 47.50 1q56 s LEU 71 CO 0.05 -0.17 0.46 0.00 0.23 0.00 0.00 176.35 176.92 1q56 s ALA 72 N 0.88 1.00 -0.01 4.21 0.00 -0.52 0.27 121.76 127.58 1q56 s ALA 72 Ca -0.05 -1.64 0.03 0.00 0.00 0.00 0.00 51.96 50.29 1q56 s ALA 72 Cb -0.06 1.20 -0.01 0.00 0.00 0.00 0.00 23.12 24.26 1q56 s ALA 72 CO -0.07 -0.78 -0.09 0.42 0.00 0.00 0.00 175.76 175.25 1q56 s ILE 73 N -2.99 0.69 -0.02 0.00 1.01 0.24 -0.08 121.20 120.04 1q56 s ILE 73 Ca 0.32 -0.36 -0.00 0.00 0.00 0.00 0.00 60.65 60.61 1q56 s ILE 73 Cb -0.00 -0.58 0.03 0.00 0.01 0.00 0.00 42.46 41.91 1q56 s ILE 73 CO 0.23 0.20 0.04 0.68 0.00 0.00 0.00 174.94 176.08 1q56 s VAL 74 N -0.14 -0.05 0.00 2.92 -7.23 0.56 -1.90 120.40 114.57 1q56 s VAL 74 Ca 0.02 0.18 0.00 0.00 -1.81 0.00 0.00 61.98 60.38 1q56 s VAL 74 Cb -0.04 -0.09 0.00 0.00 0.56 0.00 0.00 36.38 36.81 1q56 s VAL 74 CO -0.00 0.07 0.00 0.47 -0.31 0.00 0.00 175.10 175.33 1q56 n ASP 75 N 4.02 -4.48 0.00 4.85 8.00 -1.14 -2.22 116.55 125.58 1q56 n ASP 75 Ca -0.25 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.25 1q56 n ASP 75 Cb 0.52 -2.09 0.00 0.00 -0.02 0.00 0.00 41.12 39.53 1q56 n ASP 75 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1q56 n GLY 76 N -0.89 0.91 3.28 0.44 0.00 -0.49 -4.99 105.19 103.45 1q56 n GLY 76 Ca 0.00 -0.11 -0.16 0.00 0.00 0.00 0.00 46.02 45.75 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 1.40 0.32 1.61 0.08 -0.94 -3.13 117.98 115.31 1q56 s PHE 77 Ca 0.00 -0.69 0.07 0.00 0.12 0.00 0.00 56.93 56.42 1q56 s PHE 77 Cb 0.00 -0.69 -0.02 0.00 -0.57 0.00 0.00 43.02 41.74 1q56 s PHE 77 CO 0.00 0.16 0.38 0.14 -0.10 0.00 0.00 175.22 175.80 1q56 s VAL 78 N -3.15 4.03 -0.28 -0.44 -7.23 -1.26 -0.32 120.40 111.75 1q56 s VAL 78 Ca 0.18 -1.15 -0.17 0.00 -1.81 0.00 0.00 61.98 59.03 1q56 s VAL 78 Cb 0.01 -3.38 0.08 0.00 0.56 0.00 0.00 36.38 33.66 1q56 s VAL 78 CO 0.02 -0.19 0.71 0.00 -0.31 0.00 0.00 175.10 175.33 1q56 s GLN 79 N -4.07 0.70 -0.33 4.82 0.00 0.88 0.12 119.66 121.78 1q56 s GLN 79 Ca 0.42 1.18 -0.19 0.00 -0.00 0.00 0.00 55.36 56.77 1q56 s GLN 79 Cb -0.08 0.16 -0.01 0.00 0.00 0.00 0.00 33.01 33.08 1q56 s GLN 79 CO 0.29 -0.14 0.54 1.41 0.00 0.00 0.00 175.29 177.39 1q56 s MET 80 N 1.51 3.73 -0.18 9.60 1.75 -1.13 -1.44 119.30 133.14 1q56 s MET 80 Ca -0.09 -0.00 -0.00 0.00 -1.25 0.00 0.00 55.69 54.34 1q56 s MET 80 Cb -0.05 -3.78 0.00 0.00 2.84 0.00 0.00 34.83 33.85 1q56 s MET 80 CO -0.18 -0.60 -0.14 0.00 -0.65 0.00 0.00 175.02 173.44 1q56 s MET 81 N 2.45 3.17 0.00 4.11 0.23 -1.06 -1.38 119.30 126.83 1q56 s MET 81 Ca 0.21 -0.75 -0.01 0.00 -1.03 0.00 0.00 55.69 54.11 1q56 s MET 81 Cb -0.15 -2.70 -0.01 0.00 -1.53 0.00 0.00 34.83 30.44 1q56 s MET 81 CO 0.13 -0.12 0.01 1.52 -2.03 0.00 0.00 175.02 174.53 1q56 s TYR 82 N 1.16 0.10 -0.20 3.16 -0.85 -1.14 -2.34 117.35 117.25 1q56 s TYR 82 Ca 0.01 -0.20 -0.05 0.00 -0.52 0.00 0.00 57.07 56.32 1q56 s TYR 82 Cb -0.14 -0.08 0.07 0.00 0.38 0.00 0.00 41.96 42.19 1q56 s TYR 82 CO -0.06 -0.11 0.13 0.34 -1.52 0.00 0.00 175.55 174.33 1q56 s ASP 83 N -0.72 2.31 -0.48 -0.18 2.15 -1.23 -1.28 116.67 117.25 1q56 s ASP 83 Ca -0.08 -0.64 0.03 0.00 0.43 0.00 0.00 52.55 52.29 1q56 s ASP 83 Cb -0.05 -0.12 0.54 0.00 -0.30 0.00 0.00 42.92 43.00 1q56 s ASP 83 CO -0.00 -0.36 1.80 0.00 -0.17 0.00 0.00 175.17 176.44 1q56 n LEU 84 N 5.28 6.40 0.00 -1.34 -0.00 -1.26 0.39 117.00 126.47 1q56 n LEU 84 Ca -0.06 -4.00 0.00 0.00 -0.00 0.00 0.00 56.01 51.95 1q56 n LEU 84 Cb 0.48 -0.80 0.00 0.00 -0.00 0.00 0.00 43.42 43.10 1q56 n LEU 84 CO 0.09 1.35 0.00 0.61 -0.00 0.00 0.00 177.39 179.43 1q56 n GLY 85 N -1.02 0.12 0.00 1.47 0.00 -1.26 -3.59 105.19 100.90 1q56 n GLY 85 Ca 0.54 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.48 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 -1.22 0.00 -4.08 1.61 7.64 -1.26 -5.06 113.62 111.25 1q56 n SER 86 Ca 0.00 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.56 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 -0.54 -3.01 0.00 0.00 175.04 171.49 1q56 s LYS 87 N 0.00 2.60 0.70 1.43 1.02 -1.26 -5.06 119.74 119.17 1q56 s LYS 87 Ca 0.00 -0.91 -0.11 0.00 0.02 0.00 0.00 55.97 54.97 1q56 s LYS 87 Cb 0.00 -2.56 0.01 0.00 -0.52 0.00 0.00 37.83 34.76 1q56 s LYS 87 CO 0.00 -0.33 1.06 -1.25 -0.92 0.00 0.00 175.35 173.92 1q56 s PRO 88 N 1.29 2.91 -0.23 -1.68 0.04 -1.26 -4.37 135.00 131.70 1q56 s PRO 88 Ca 0.01 0.89 -0.02 0.00 0.04 0.00 0.00 61.00 61.92 1q56 s PRO 88 Cb -0.15 -1.99 0.07 0.00 0.04 0.00 0.00 34.50 32.47 1q56 s PRO 88 CO -0.10 -1.10 0.04 0.54 0.04 0.00 0.00 177.00 176.42 1q56 s VAL 89 N -3.08 0.71 -0.23 -0.36 0.11 -0.40 -4.81 120.40 112.34 1q56 s VAL 89 Ca 0.58 -0.87 -0.14 0.00 -2.93 0.00 0.00 61.98 58.62 1q56 s VAL 89 Cb -0.14 -1.29 -0.04 0.00 -1.53 0.00 0.00 36.38 33.39 1q56 s VAL 89 CO 0.55 -0.34 0.34 0.54 -3.33 0.00 0.00 175.10 172.86 1q56 s VAL 90 N 1.75 5.23 -0.74 2.04 0.11 -1.24 -2.86 120.40 124.69 1q56 s VAL 90 Ca 0.02 0.56 -0.01 0.00 -2.93 0.00 0.00 61.98 59.62 1q56 s VAL 90 Cb -0.17 -3.67 0.18 0.00 -1.53 0.00 0.00 36.38 31.19 1q56 s VAL 90 CO -0.13 0.25 0.57 -0.76 -3.33 0.00 0.00 175.10 171.70 1q56 s LEU 91 N 1.44 5.22 1.43 2.54 1.43 -0.48 -4.86 118.68 125.41 1q56 s LEU 91 Ca 0.16 -3.39 -0.22 0.00 -1.03 0.00 0.00 54.13 49.64 1q56 s LEU 91 Cb -0.15 -1.82 0.37 0.00 0.03 0.00 0.00 46.19 44.62 1q56 s LEU 91 CO 0.08 -0.23 0.88 0.54 0.23 0.00 0.00 176.35 177.85 1q56 n ARG 92 N 2.72 -4.45 -4.01 1.70 1.74 -1.26 -2.85 116.66 110.26 1q56 n ARG 92 Ca 0.15 -1.32 -0.22 0.00 -0.77 0.00 0.00 57.85 55.69 1q56 n ARG 92 Cb 0.37 -1.96 -0.03 0.00 -1.02 0.00 0.00 32.46 29.82 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 -2.93 6.08 -0.24 0.55 0.15 0.32 -4.53 113.70 113.10 1q56 s SER 93 Ca 0.67 -0.01 0.13 0.00 0.70 0.00 0.00 55.95 57.44 1q56 s SER 93 Cb -0.14 -1.73 0.53 0.00 -1.71 0.00 0.00 66.02 62.96 1q56 s SER 93 CO 0.58 -0.04 1.47 0.35 1.20 0.00 0.00 173.24 176.80 1q56 n THR 94 N -1.18 2.45 -3.83 6.45 -2.24 -1.26 -4.80 114.28 109.87 1q56 n THR 94 Ca -0.08 -2.25 -0.11 0.00 -2.27 0.00 0.00 64.05 59.34 1q56 n THR 94 Cb 0.57 -0.30 -0.08 0.00 -2.10 0.00 0.00 70.33 68.42 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 -3.03 0.10 0.25 2.28 1.01 -1.26 -5.07 120.40 114.67 1q56 s VAL 95 Ca 0.44 -0.85 -0.30 0.00 0.00 0.00 0.00 61.98 61.27 1q56 s VAL 95 Cb 0.38 -0.90 -0.10 0.00 0.00 0.00 0.00 36.38 35.75 1q56 s VAL 95 CO 0.05 -0.47 1.49 -2.16 0.00 0.00 0.00 175.10 174.01 1q56 s PRO 96 N -2.53 4.23 -0.06 2.72 0.04 -1.26 -4.74 135.00 133.40 1q56 s PRO 96 Ca -0.05 2.36 0.04 0.00 0.04 0.00 0.00 61.00 63.40 1q56 s PRO 96 Cb -0.01 -3.10 -0.07 0.00 0.04 0.00 0.00 34.50 31.36 1q56 s PRO 96 CO -0.04 -0.48 0.01 1.51 0.04 0.00 0.00 177.00 178.04 1q56 n ILE 97 N 2.48 0.41 -0.99 0.56 0.00 -1.18 -4.65 119.36 115.98 1q56 n ILE 97 Ca 0.08 -0.24 -0.13 0.00 0.00 0.00 0.00 62.75 62.46 1q56 n ILE 97 Cb 0.39 -0.83 -0.11 0.00 0.00 0.00 0.00 39.64 39.09 1q56 n ILE 97 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 1q56 n ASN 98 N -2.30 5.51 -0.47 9.51 0.23 -1.25 -4.38 115.26 122.11 1q56 n ASN 98 Ca -0.10 -2.61 0.08 0.00 -0.53 0.00 0.00 54.58 51.41 1q56 n ASN 98 Cb 0.68 -1.33 0.30 0.00 -2.08 0.00 0.00 39.78 37.36 1q56 n ASN 98 CO 0.00 0.00 0.00 0.41 -0.93 0.00 0.00 177.26 176.74 1q56 n THR 99 N 1.97 0.25 -0.91 5.53 -1.04 -1.26 -4.49 114.28 114.33 1q56 n THR 99 Ca 0.36 -0.31 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 1q56 n THR 99 Cb 0.78 0.21 0.00 0.00 -1.82 0.00 0.00 70.33 69.50 1q56 n THR 99 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1q56 n ASN 100 N 0.18 -3.71 -4.81 8.00 5.15 -1.26 -4.74 115.26 114.06 1q56 n ASN 100 Ca 0.13 0.00 -0.26 0.00 -0.60 0.00 0.00 54.58 53.86 1q56 n ASN 100 Cb 0.26 -2.28 -0.05 0.00 -0.53 0.00 0.00 39.78 37.18 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 -1.51 2.23 -1.02 1.20 3.76 -1.26 -4.13 115.29 114.56 1q56 s HIS 101 Ca 0.00 -0.70 -0.23 0.00 -0.15 0.00 0.00 55.06 53.98 1q56 s HIS 101 Cb 0.00 -1.93 0.01 0.00 1.11 0.00 0.00 32.58 31.77 1q56 s HIS 101 CO 0.00 -0.05 1.67 -1.58 -0.85 0.00 0.00 174.74 173.93 1q56 s TRP 102 N -2.67 2.28 0.86 1.40 0.23 -1.23 -3.68 118.94 116.12 1q56 s TRP 102 Ca 0.36 -0.35 -0.13 0.00 -2.03 0.00 0.00 56.10 53.94 1q56 s TRP 102 Cb 0.01 -4.45 0.12 0.00 0.03 0.00 0.00 33.47 29.18 1q56 s TRP 102 CO 0.20 -1.81 1.22 0.99 0.96 0.00 0.00 176.95 178.51 1q56 s THR 103 N 6.97 2.00 -0.16 2.01 2.01 -0.52 -4.80 115.64 123.15 1q56 s THR 103 Ca 0.56 0.00 0.01 0.00 0.31 0.00 0.00 61.69 62.57 1q56 s THR 103 Cb -0.02 -2.99 0.02 0.00 0.01 0.00 0.00 72.50 69.53 1q56 s THR 103 CO -0.04 0.00 -0.16 -2.28 -0.69 0.00 0.00 174.62 171.46 1q56 s HIS 104 N -3.65 2.35 0.01 4.92 2.46 -1.26 -2.56 115.29 117.57 1q56 s HIS 104 Ca 0.65 -1.36 0.08 0.00 0.47 0.00 0.00 55.06 54.91 1q56 s HIS 104 Cb -0.09 -1.69 -0.03 0.00 -0.13 0.00 0.00 32.58 30.64 1q56 s HIS 104 CO 0.50 -0.71 -0.23 0.42 -2.47 0.00 0.00 174.74 172.25 1q56 s ILE 105 N 1.43 2.40 0.37 0.89 1.09 0.14 0.15 121.20 127.66 1q56 s ILE 105 Ca 0.05 -1.17 -0.08 0.00 -1.10 0.00 0.00 60.65 58.34 1q56 s ILE 105 Cb -0.13 -1.93 0.03 0.00 -1.06 0.00 0.00 42.46 39.37 1q56 s ILE 105 CO -0.11 0.45 0.63 -0.54 -0.10 0.00 0.00 174.94 175.27 1q56 s LYS 106 N -1.04 2.09 0.02 2.79 1.02 0.18 -2.12 119.74 122.67 1q56 s LYS 106 Ca 0.12 -1.62 -0.28 0.00 0.02 0.00 0.00 55.97 54.21 1q56 s LYS 106 Cb -0.10 0.53 0.09 0.00 -0.52 0.00 0.00 37.83 37.83 1q56 s LYS 106 CO 0.02 -0.92 0.81 0.00 -0.92 0.00 0.00 175.35 174.33 1q56 s ALA 107 N -2.65 -1.77 -0.25 5.17 0.00 -0.83 0.21 121.76 121.64 1q56 s ALA 107 Ca 0.23 0.95 -0.03 0.00 0.00 0.00 0.00 51.96 53.11 1q56 s ALA 107 Cb -0.03 0.41 0.08 0.00 0.00 0.00 0.00 23.12 23.59 1q56 s ALA 107 CO 0.16 -0.65 0.09 0.71 0.00 0.00 0.00 175.76 176.07 1q56 s TYR 108 N -2.97 0.87 -0.30 0.00 2.02 -0.77 -2.97 117.35 113.23 1q56 s TYR 108 Ca 0.02 -1.04 -0.19 0.00 -0.37 0.00 0.00 57.07 55.49 1q56 s TYR 108 Cb -0.01 -1.13 -0.01 0.00 -0.40 0.00 0.00 41.96 40.41 1q56 s TYR 108 CO -0.08 -0.74 0.58 0.50 -1.57 0.00 0.00 175.55 174.24 1q56 s ARG 109 N 1.91 3.92 -0.52 -0.62 3.00 -1.15 -1.33 118.95 124.16 1q56 s ARG 109 Ca 0.06 0.26 -0.01 0.00 -1.00 0.00 0.00 55.73 55.04 1q56 s ARG 109 Cb -0.17 -3.71 0.14 0.00 0.00 0.00 0.00 34.95 31.20 1q56 s ARG 109 CO -0.23 -0.52 0.30 0.08 0.00 0.00 0.00 175.30 174.94 1q56 s VAL 110 N 2.50 3.23 0.00 7.11 1.01 0.73 -1.45 120.40 133.53 1q56 s VAL 110 Ca 0.23 -2.72 0.00 0.00 0.00 0.00 0.00 61.98 59.49 1q56 s VAL 110 Cb -0.15 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.05 1q56 s VAL 110 CO 0.11 -0.78 0.00 1.67 0.00 0.00 0.00 175.10 176.10 1q56 n GLN 111 N 3.79 0.00 -0.01 2.72 7.27 -1.05 -1.00 117.38 129.10 1q56 n GLN 111 Ca 0.04 0.00 0.04 0.00 0.07 0.00 0.00 57.00 57.15 1q56 n GLN 111 Cb 0.38 0.00 -0.07 0.00 2.41 0.00 0.00 30.24 32.96 1q56 n GLN 111 CO 0.00 0.00 0.00 2.89 0.07 0.00 0.00 177.06 180.02 1q56 n ARG 112 N 0.00 0.57 -3.11 3.69 0.00 -1.26 -4.92 116.66 111.63 1q56 n ARG 112 Ca 0.00 -0.08 -0.43 0.00 -0.00 0.00 0.00 57.85 57.34 1q56 n ARG 112 Cb 0.00 -1.22 -0.06 0.00 -0.00 0.00 0.00 32.46 31.17 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 -2.60 3.23 0.44 2.89 2.12 -0.17 -1.42 118.70 123.19 1q56 s GLU 113 Ca -0.04 -0.53 0.02 0.00 0.36 0.00 0.00 54.97 54.78 1q56 s GLU 113 Cb 0.06 -4.00 0.00 0.00 0.26 0.00 0.00 34.13 30.44 1q56 s GLU 113 CO 0.39 -1.11 0.65 0.20 -0.54 0.00 0.00 175.26 174.84 1q56 s GLY 114 N 2.27 1.63 0.06 -1.50 0.00 0.47 -0.20 107.32 110.05 1q56 s GLY 114 Ca 0.21 -1.20 -0.09 0.00 0.00 0.00 0.00 44.72 43.64 1q56 s GLY 114 CO 0.17 -1.03 0.18 -0.45 0.00 0.00 0.00 173.10 171.97 1q56 s SER 115 N -4.25 0.08 0.07 1.64 0.15 -0.44 -0.70 113.70 110.26 1q56 s SER 115 Ca 0.49 -0.50 0.09 0.00 0.70 0.00 0.00 55.95 56.73 1q56 s SER 115 Cb -0.10 0.30 -0.03 0.00 -1.71 0.00 0.00 66.02 64.48 1q56 s SER 115 CO 0.36 -0.62 -0.23 -0.22 1.20 0.00 0.00 173.24 173.74 1q56 s LEU 116 N -2.40 2.23 -0.42 3.45 1.98 0.41 -1.86 118.68 122.07 1q56 s LEU 116 Ca -0.01 -0.61 0.02 0.00 -2.89 0.00 0.00 54.13 50.64 1q56 s LEU 116 Cb 0.01 -1.05 0.12 0.00 0.66 0.00 0.00 46.19 45.94 1q56 s LEU 116 CO -0.07 0.16 0.19 -1.58 -1.89 0.00 0.00 176.35 173.16 1q56 s GLN 117 N -1.52 1.38 -1.09 1.98 2.00 0.57 -2.39 119.66 120.59 1q56 s GLN 117 Ca 0.09 -1.98 -0.18 0.00 -2.00 0.00 0.00 55.36 51.30 1q56 s GLN 117 Cb -0.10 -2.62 0.12 0.00 0.80 0.00 0.00 33.01 31.21 1q56 s GLN 117 CO 0.03 -1.09 1.36 0.08 -0.50 0.00 0.00 175.29 175.17 1q56 s VAL 118 N 0.49 4.62 -0.61 1.34 1.01 -1.26 0.47 120.40 126.46 1q56 s VAL 118 Ca 0.15 -1.84 -0.01 0.00 0.00 0.00 0.00 61.98 60.28 1q56 s VAL 118 Cb -0.23 -4.92 -0.01 0.00 0.00 0.00 0.00 36.38 31.21 1q56 s VAL 118 CO -0.05 -1.68 0.52 0.61 0.00 0.00 0.00 175.10 174.49 1q56 n GLY 119 N 5.25 -0.06 1.51 4.51 0.00 0.38 -2.90 105.19 113.89 1q56 n GLY 119 Ca 0.33 -0.04 -0.05 0.00 0.00 0.00 0.00 46.02 46.26 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 -2.24 -1.40 -3.64 1.61 4.13 -1.26 -4.88 115.26 107.57 1q56 n ASN 120 Ca -0.11 0.15 -0.15 0.00 1.68 0.00 0.00 54.58 56.15 1q56 n ASN 120 Cb 0.58 -1.58 0.08 0.00 -1.54 0.00 0.00 39.78 37.33 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 -1.49 0.06 -1.49 3.52 -0.58 -1.14 -4.85 120.64 114.67 1q56 n GLU 121 Ca -0.05 -1.75 -0.42 0.00 -0.42 0.00 0.00 57.16 54.52 1q56 n GLU 121 Cb 0.21 -0.47 -0.14 0.00 -0.57 0.00 0.00 31.44 30.47 1q56 n GLU 121 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1q56 n ALA 122 N -2.99 0.32 -1.95 0.62 0.00 -1.26 -4.60 120.51 110.65 1q56 n ALA 122 Ca -0.11 -0.30 -0.41 0.00 0.00 0.00 0.00 53.44 52.62 1q56 n ALA 122 Cb 0.39 -2.31 -0.03 0.00 0.00 0.00 0.00 19.45 17.50 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 8.82 4.34 -0.34 0.00 0.04 -1.26 -4.70 135.00 141.90 1q56 s PRO 123 Ca 1.33 2.15 -0.15 0.00 0.04 0.00 0.00 61.00 64.38 1q56 s PRO 123 Cb -1.21 -3.16 -0.01 0.00 0.04 0.00 0.00 34.50 30.16 1q56 s PRO 123 CO 0.48 -0.31 0.33 0.42 0.04 0.00 0.00 177.00 177.96 1q56 s ILE 124 N 0.03 5.20 0.46 0.56 1.09 -1.01 -4.82 121.20 122.71 1q56 s ILE 124 Ca 0.57 -0.04 0.04 0.00 -1.10 0.00 0.00 60.65 60.12 1q56 s ILE 124 Cb -0.39 -3.80 -0.04 0.00 -1.06 0.00 0.00 42.46 37.17 1q56 s ILE 124 CO 0.40 -0.08 0.01 0.42 -0.10 0.00 0.00 174.94 175.59 1q56 s THR 125 N 1.94 1.53 -0.21 2.92 -4.23 -1.26 -0.45 115.64 115.88 1q56 s THR 125 Ca 0.10 -2.00 -0.36 0.00 -1.18 0.00 0.00 61.69 58.25 1q56 s THR 125 Cb -0.17 -2.55 0.15 0.00 1.34 0.00 0.00 72.50 71.27 1q56 s THR 125 CO 0.11 0.00 1.37 -0.83 -0.54 0.00 0.00 174.62 174.73 1q56 s GLY 126 N -3.79 -0.31 0.20 3.99 0.00 0.12 -4.93 107.32 102.60 1q56 s GLY 126 Ca 0.20 1.53 -0.02 0.00 0.00 0.00 0.00 44.72 46.43 1q56 s GLY 126 CO 0.10 0.47 0.15 -0.56 0.00 0.00 0.00 173.10 173.26 1q56 s SER 127 N -2.37 0.14 0.36 1.64 0.01 -1.26 0.18 113.70 112.40 1q56 s SER 127 Ca 0.12 -1.35 0.07 0.00 1.31 0.00 0.00 55.95 56.10 1q56 s SER 127 Cb 0.02 0.39 -0.01 0.00 0.21 0.00 0.00 66.02 66.63 1q56 s SER 127 CO -0.04 -0.86 0.48 -0.44 0.41 0.00 0.00 173.24 172.80 1q56 s SER 128 N -3.15 5.81 -0.87 2.44 0.01 -0.51 -4.89 113.70 112.55 1q56 s SER 128 Ca 0.37 -0.29 -0.25 0.00 1.31 0.00 0.00 55.95 57.09 1q56 s SER 128 Cb 0.06 -1.04 -0.07 0.00 0.21 0.00 0.00 66.02 65.18 1q56 s SER 128 CO 0.11 -0.52 2.08 -2.16 0.41 0.00 0.00 173.24 173.17 1q56 s PRO 129 N -4.21 2.27 0.00 12.44 0.04 -1.26 -4.83 135.00 139.46 1q56 s PRO 129 Ca 0.47 -0.07 0.00 0.00 0.04 0.00 0.00 61.00 61.45 1q56 s PRO 129 Cb -0.09 -4.98 0.00 0.00 0.04 0.00 0.00 34.50 29.47 1q56 s PRO 129 CO 0.31 -3.70 0.00 1.28 0.04 0.00 0.00 177.00 174.93 1q56 n LEU 130 N 15.38 0.00 0.00 -3.56 4.77 -1.26 -4.70 117.00 127.63 1q56 n LEU 130 Ca 0.42 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 1q56 n LEU 130 Cb 0.46 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 1q56 n LEU 130 CO 0.58 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 1q56 n GLY 131 N 0.00 0.20 0.00 -0.72 0.00 -1.26 -5.16 105.19 98.25 1q56 n GLY 131 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 0.00 0.00 -2.70 4.61 0.00 -1.26 -4.93 120.51 116.23 1q56 n ALA 132 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 1q56 n ALA 132 Cb 0.00 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.55 1q56 n ALA 132 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1q56 n THR 133 N 0.00 0.00 0.00 0.00 5.66 -1.24 -4.94 114.28 113.76 1q56 n THR 133 Ca 0.00 -1.11 0.00 0.00 -3.05 0.00 0.00 64.05 59.89 1q56 n THR 133 Cb 0.00 1.26 0.00 0.00 -1.55 0.00 0.00 70.33 70.04 1q56 n THR 133 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1q56 n GLN 134 N 0.32 0.00 -2.26 1.09 1.13 -1.26 -4.81 117.38 111.59 1q56 n GLN 134 Ca -0.01 0.00 -0.03 0.00 -1.94 0.00 0.00 57.00 55.02 1q56 n GLN 134 Cb 0.73 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 31.05 1q56 n GLN 134 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 1q56 n LEU 135 N 0.00 -5.11 -4.56 1.08 -0.00 -1.26 -5.00 117.00 102.15 1q56 n LEU 135 Ca 0.00 1.46 -0.30 0.00 -0.00 0.00 0.00 56.01 57.17 1q56 n LEU 135 Cb 0.00 -2.58 0.25 0.00 -0.00 0.00 0.00 43.42 41.09 1q56 n LEU 135 CO 0.00 -2.66 0.61 -1.81 -0.00 0.00 0.00 177.39 173.53 1q56 s ASP 136 N -0.60 0.57 -0.27 1.96 1.11 -1.26 -4.94 116.67 113.24 1q56 s ASP 136 Ca -0.16 0.57 -0.00 0.00 0.18 0.00 0.00 52.55 53.14 1q56 s ASP 136 Cb 0.01 -0.76 0.15 0.00 1.07 0.00 0.00 42.92 43.40 1q56 s ASP 136 CO 0.55 -4.33 0.43 0.42 1.18 0.00 0.00 175.17 173.41 1q56 s THR 137 N -2.97 -0.68 0.00 -1.27 -4.23 -1.26 -4.84 115.64 100.39 1q56 s THR 137 Ca 0.72 -0.14 0.00 0.00 -1.18 0.00 0.00 61.69 61.08 1q56 s THR 137 Cb -0.09 -0.91 0.00 0.00 1.34 0.00 0.00 72.50 72.84 1q56 s THR 137 CO 0.56 -0.16 0.00 -0.90 -0.54 0.00 0.00 174.62 173.58 1q56 n ASP 138 N 5.37 0.00 -0.31 3.99 5.68 -1.26 -4.98 116.55 125.04 1q56 n ASP 138 Ca -0.01 0.00 0.19 0.00 -0.50 0.00 0.00 54.79 54.47 1q56 n ASP 138 Cb 0.50 0.00 0.37 0.00 -1.14 0.00 0.00 41.12 40.85 1q56 n ASP 138 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1q56 n GLY 139 N 0.00 -1.07 3.56 6.12 0.00 -1.26 -4.66 105.19 107.88 1q56 n GLY 139 Ca 0.00 0.85 -0.08 0.00 0.00 0.00 0.00 46.02 46.79 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 -5.74 -1.69 -0.03 4.61 0.00 -1.26 -4.61 121.76 113.05 1q56 s ALA 140 Ca -0.11 0.61 -0.08 0.00 0.00 0.00 0.00 51.96 52.39 1q56 s ALA 140 Cb 0.29 0.60 0.01 0.00 0.00 0.00 0.00 23.12 24.02 1q56 s ALA 140 CO 0.72 -0.81 0.18 -1.17 0.00 0.00 0.00 175.76 174.68 1q56 s LEU 141 N -2.67 1.38 -0.03 0.00 2.96 -1.06 -4.14 118.68 115.12 1q56 s LEU 141 Ca 0.06 0.05 0.01 0.00 -0.22 0.00 0.00 54.13 54.03 1q56 s LEU 141 Cb -0.01 0.72 0.02 0.00 0.50 0.00 0.00 46.19 47.42 1q56 s LEU 141 CO -0.06 -0.26 -0.03 0.26 -1.32 0.00 0.00 176.35 174.94 1q56 s TRP 142 N -0.80 0.55 -0.08 5.38 0.52 -0.98 0.47 118.94 124.01 1q56 s TRP 142 Ca -0.09 -0.11 -0.00 0.00 0.02 0.00 0.00 56.10 55.91 1q56 s TRP 142 Cb -0.05 -0.52 0.03 0.00 -1.15 0.00 0.00 33.47 31.78 1q56 s TRP 142 CO 0.01 -0.14 -0.04 -1.17 0.02 0.00 0.00 176.95 175.64 1q56 s LEU 143 N 0.78 0.95 0.00 2.99 2.96 -1.04 0.58 118.68 125.90 1q56 s LEU 143 Ca -0.09 -0.17 0.00 0.00 -0.22 0.00 0.00 54.13 53.65 1q56 s LEU 143 Cb -0.12 -0.58 0.00 0.00 0.50 0.00 0.00 46.19 45.99 1q56 s LEU 143 CO -0.00 -0.14 0.00 0.61 -1.32 0.00 0.00 176.35 175.50 1q56 n GLY 144 N 4.82 1.79 0.00 7.98 0.00 0.83 -2.58 105.19 118.04 1q56 n GLY 144 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.05 0.26 3.64 -0.02 0.00 -0.65 -2.55 105.19 105.82 1q56 n GLY 145 Ca 0.00 -1.49 -0.06 0.00 0.00 0.00 0.00 46.02 44.47 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 -0.76 0.46 0.66 1.61 -1.94 -1.26 -4.63 119.30 113.44 1q56 s MET 146 Ca 0.00 0.67 0.18 0.00 -1.71 0.00 0.00 55.69 54.83 1q56 s MET 146 Cb 0.00 0.15 0.95 0.00 2.01 0.00 0.00 34.83 37.95 1q56 s MET 146 CO 0.00 -0.08 1.53 1.49 -0.01 0.00 0.00 175.02 177.95 1q56 h GLU 147 N 5.32 0.00 -1.19 2.03 4.81 -1.97 -3.14 114.58 120.44 1q56 h GLU 147 Ca -0.28 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 58.79 1q56 h GLU 147 Cb 1.19 0.00 -0.20 0.00 0.63 0.00 0.00 28.75 30.36 1q56 h GLU 147 CO 0.15 0.00 -0.52 -0.98 -0.73 0.00 0.00 179.01 176.93 1q56 s ARG 148 N -4.10 0.90 0.00 1.92 3.03 -1.26 -5.01 118.95 114.42 1q56 s ARG 148 Ca -0.02 -0.72 0.00 0.00 2.03 0.00 0.00 55.73 57.02 1q56 s ARG 148 Cb 0.06 -0.13 0.00 0.00 -1.03 0.00 0.00 34.95 33.85 1q56 s ARG 148 CO 0.19 -1.25 1.71 1.28 -1.13 0.00 0.00 175.30 176.10 1q56 n LEU 149 N 3.79 4.62 0.11 -1.89 4.77 -1.19 -4.02 117.00 123.19 1q56 n LEU 149 Ca 0.15 -2.11 0.19 0.00 -0.03 0.00 0.00 56.01 54.21 1q56 n LEU 149 Cb 0.55 -0.95 0.76 0.00 -2.33 0.00 0.00 43.42 41.44 1q56 n LEU 149 CO 0.01 0.86 1.17 0.77 -1.33 0.00 0.00 177.39 178.88 1q56 h SER 150 N 0.99 0.00 0.00 -1.43 4.64 -1.95 -3.35 113.55 112.45 1q56 h SER 150 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1q56 h SER 150 Cb 0.94 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 1q56 h SER 150 CO 0.00 0.00 0.00 0.55 -0.87 0.00 0.00 176.83 176.51 1q56 n VAL 151 N -3.84 0.00 0.00 0.95 3.14 -1.26 -4.25 118.33 113.07 1q56 n VAL 151 Ca 0.06 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.44 1q56 n VAL 151 Cb 0.54 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.32 1q56 n VAL 151 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1q56 n ALA 152 N -3.00 0.00 0.00 1.55 0.00 -1.26 -4.79 120.51 113.02 1q56 n ALA 152 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1q56 n ALA 152 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1q56 n ALA 152 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1q56 n HIS 153 N 0.00 0.00 0.00 0.00 8.25 -1.26 -3.29 115.22 118.92 1q56 n HIS 153 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1q56 n HIS 153 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1q56 n HIS 153 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1q56 n LYS 154 N 0.00 0.00 -4.11 -0.41 2.85 -1.26 -4.69 118.16 110.54 1q56 n LYS 154 Ca 0.00 0.10 -0.14 0.00 -1.05 0.00 0.00 58.31 57.22 1q56 n LYS 154 Cb 0.00 -1.56 -0.06 0.00 -0.65 0.00 0.00 35.03 32.77 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 -1.93 0.99 0.00 -5.58 2.34 -1.21 -5.17 118.68 108.12 1q56 s LEU 155 Ca 0.00 -1.40 0.00 0.00 0.06 0.00 0.00 54.13 52.79 1q56 s LEU 155 Cb 0.00 1.24 0.00 0.00 -0.56 0.00 0.00 46.19 46.87 1q56 s LEU 155 CO 0.00 -1.17 0.00 -0.81 -1.06 0.00 0.00 176.35 173.31 1q56 n PRO 156 N -0.49 0.85 0.27 1.48 -0.04 -1.26 -4.82 135.00 130.98 1q56 n PRO 156 Ca 0.01 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.55 1q56 n PRO 156 Cb 0.62 0.00 0.27 0.00 -0.04 0.00 0.00 33.50 34.36 1q56 n PRO 156 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1q56 h LYS 157 N 0.00 0.00 -0.84 0.54 1.57 -1.99 -2.72 116.57 113.14 1q56 h LYS 157 Ca 0.00 0.00 0.29 0.00 -1.87 0.00 0.00 60.65 59.07 1q56 h LYS 157 Cb 0.00 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 32.16 1q56 h LYS 157 CO 0.00 0.00 0.23 0.00 -0.57 0.00 0.00 179.45 179.11 1q56 n ALA 158 N -1.70 0.64 0.02 3.86 0.00 -1.26 0.26 120.51 122.34 1q56 n ALA 158 Ca 0.02 0.88 -0.03 0.00 0.00 0.00 0.00 53.44 54.30 1q56 n ALA 158 Cb 0.88 -0.75 -0.10 0.00 0.00 0.00 0.00 19.45 19.48 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 -1.81 0.18 116.97 113.35 1q56 h TYR 159 Ca 0.61 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.34 1q56 h TYR 159 Cb 1.46 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.19 1q56 h TYR 159 CO -0.22 0.75 0.00 0.45 -0.00 0.00 0.00 178.16 179.14 1q56 n SER 160 N -2.98 0.00 -3.75 3.88 2.88 0.74 -4.14 113.62 110.25 1q56 n SER 160 Ca -0.11 0.26 -0.30 0.00 -1.33 0.00 0.00 58.87 57.39 1q56 n SER 160 Cb 0.92 -0.39 -0.15 0.00 -0.75 0.00 0.00 64.21 63.84 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 -2.79 1.04 0.52 2.46 2.01 0.54 -5.01 115.64 114.41 1q56 s THR 161 Ca 0.13 -1.63 -0.06 0.00 0.31 0.00 0.00 61.69 60.43 1q56 s THR 161 Cb 0.12 -1.78 0.10 0.00 0.01 0.00 0.00 72.50 70.95 1q56 s THR 161 CO 0.30 -0.71 0.23 0.61 -0.69 0.00 0.00 174.62 174.37 1q56 n GLY 162 N 4.62 -1.90 3.76 4.40 0.00 0.83 -3.27 105.19 113.63 1q56 n GLY 162 Ca 0.00 -0.62 -0.34 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.31 2.48 -0.53 1.61 5.36 -1.06 -4.19 117.98 120.34 1q56 s PHE 163 Ca 0.18 1.55 0.04 0.00 -0.96 0.00 0.00 56.93 57.74 1q56 s PHE 163 Cb -0.03 -3.31 0.17 0.00 -0.34 0.00 0.00 43.02 39.51 1q56 s PHE 163 CO 0.15 -1.93 0.40 0.42 -1.46 0.00 0.00 175.22 172.80 1q56 s ILE 164 N -2.00 1.41 0.00 3.12 1.09 -1.26 -0.47 121.20 123.08 1q56 s ILE 164 Ca 0.72 -3.31 0.00 0.00 -1.10 0.00 0.00 60.65 56.95 1q56 s ILE 164 Cb -0.25 -1.94 0.00 0.00 -1.06 0.00 0.00 42.46 39.21 1q56 s ILE 164 CO 0.37 -1.13 0.00 0.61 -0.10 0.00 0.00 174.94 174.69 1q56 n GLY 165 N 2.51 1.70 3.23 6.18 0.00 -1.10 -0.78 105.19 116.93 1q56 n GLY 165 Ca 0.25 -0.70 -0.25 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.72 1.96 -0.11 0.00 1.01 -1.09 0.30 121.20 122.55 1q56 s ILE 167 Ca 0.07 -2.06 -0.30 0.00 0.00 0.00 0.00 60.65 58.36 1q56 s ILE 167 Cb -0.08 -1.98 0.11 0.00 0.01 0.00 0.00 42.46 40.52 1q56 s ILE 167 CO 0.01 -0.36 0.94 -0.60 0.00 0.00 0.00 174.94 174.93 1q56 s ARG 168 N -3.06 0.70 -0.93 2.79 3.52 0.02 -3.21 118.95 118.79 1q56 s ARG 168 Ca 0.20 0.05 -0.06 0.00 -0.13 0.00 0.00 55.73 55.78 1q56 s ARG 168 Cb -0.05 0.33 -0.02 0.00 -1.56 0.00 0.00 34.95 33.64 1q56 s ARG 168 CO 0.08 -0.24 0.78 -0.25 -0.81 0.00 0.00 175.30 174.86 1q56 n ASP 169 N 0.50 -6.67 -4.34 -2.12 8.00 -1.26 -1.97 116.55 108.69 1q56 n ASP 169 Ca -0.11 -0.55 -0.32 0.00 0.71 0.00 0.00 54.79 54.52 1q56 n ASP 169 Cb 0.59 -4.55 -0.15 0.00 -0.02 0.00 0.00 41.12 36.98 1q56 n ASP 169 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1q56 s VAL 170 N -3.21 2.63 0.05 2.53 -7.23 -1.26 -3.45 120.40 110.45 1q56 s VAL 170 Ca 0.24 -0.84 -0.12 0.00 -1.81 0.00 0.00 61.98 59.45 1q56 s VAL 170 Cb -0.05 -2.04 0.01 0.00 0.56 0.00 0.00 36.38 34.86 1q56 s VAL 170 CO 0.78 0.55 0.26 -0.63 -0.31 0.00 0.00 175.10 175.76 1q56 s ILE 171 N 0.03 0.10 -0.39 -0.62 1.01 0.42 -2.13 121.20 119.61 1q56 s ILE 171 Ca -0.07 -0.78 0.01 0.00 0.00 0.00 0.00 60.65 59.81 1q56 s ILE 171 Cb -0.15 -0.95 0.13 0.00 0.01 0.00 0.00 42.46 41.50 1q56 s ILE 171 CO 0.05 -0.43 0.21 -0.69 0.00 0.00 0.00 174.94 174.07 1q56 s VAL 172 N -2.65 0.98 -1.32 2.92 1.01 -1.21 -0.03 120.40 120.10 1q56 s VAL 172 Ca -0.04 -2.13 -0.04 0.00 0.00 0.00 0.00 61.98 59.76 1q56 s VAL 172 Cb -0.01 -1.70 0.02 0.00 0.00 0.00 0.00 36.38 34.69 1q56 s VAL 172 CO -0.04 -0.88 0.95 0.47 0.00 0.00 0.00 175.10 175.59 1q56 n ASP 173 N 3.90 -3.14 -1.07 3.32 9.92 -0.82 -1.52 116.55 127.13 1q56 n ASP 173 Ca 0.08 -0.69 -0.08 0.00 -0.53 0.00 0.00 54.79 53.56 1q56 n ASP 173 Cb 0.36 -4.58 0.00 0.00 -0.64 0.00 0.00 41.12 36.26 1q56 n ASP 173 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 1q56 n ARG 174 N -4.45 -1.09 -3.74 -1.24 3.00 -1.26 -5.04 116.66 102.84 1q56 n ARG 174 Ca -0.18 0.38 -0.24 0.00 -0.00 0.00 0.00 57.85 57.81 1q56 n ARG 174 Cb 0.63 -4.25 -0.01 0.00 0.00 0.00 0.00 32.46 28.82 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 -4.60 2.32 1.42 -0.14 -0.21 -0.57 -4.96 119.66 112.91 1q56 s GLN 175 Ca 0.04 -1.86 0.00 0.00 0.02 0.00 0.00 55.36 53.56 1q56 s GLN 175 Cb -0.02 -2.21 0.00 0.00 1.00 0.00 0.00 33.01 31.78 1q56 s GLN 175 CO 0.05 -0.51 0.00 -0.85 -2.12 0.00 0.00 175.29 171.86 1q56 n GLU 176 N -1.73 0.00 0.00 2.91 0.28 -1.26 -3.31 120.64 117.53 1q56 n GLU 176 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.01 1q56 n GLU 176 Cb 0.63 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.50 1q56 n GLU 176 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 1q56 n LEU 177 N 0.00 0.00 -3.66 -1.84 7.94 -0.90 -4.77 117.00 113.76 1q56 n LEU 177 Ca 0.00 0.00 -0.43 0.00 -1.11 0.00 0.00 56.01 54.47 1q56 n LEU 177 Cb 0.00 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 43.88 1q56 n LEU 177 CO 0.00 0.00 1.99 1.41 -1.11 0.00 0.00 177.39 179.68 1q56 n HIS 178 N 0.00 1.65 -0.19 1.96 8.25 -1.26 -4.72 115.22 120.91 1q56 n HIS 178 Ca 0.00 -1.60 -0.11 0.00 -0.26 0.00 0.00 57.72 55.75 1q56 n HIS 178 Cb 0.00 -1.63 -0.08 0.00 1.12 0.00 0.00 29.99 29.40 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 14.64 -1.66 0.00 2.41 4.07 -1.92 0.93 115.31 133.77 1q56 h LEU 179 Ca 0.39 0.23 0.00 0.00 0.08 0.00 0.00 57.88 58.58 1q56 h LEU 179 Cb 0.69 0.70 0.00 0.00 1.08 0.00 0.00 40.66 43.13 1q56 h LEU 179 CO 1.93 -0.30 0.00 0.52 -1.08 0.00 0.00 178.44 179.51 1q56 n VAL 180 N -4.95 1.14 0.09 1.22 0.31 -1.26 -1.05 118.33 113.83 1q56 n VAL 180 Ca -0.02 0.28 -0.04 0.00 -0.01 0.00 0.00 64.34 64.55 1q56 n VAL 180 Cb 0.27 -1.08 -0.02 0.00 -0.91 0.00 0.00 33.84 32.10 1q56 n VAL 180 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1q56 h GLU 181 N 0.00 -0.28 0.00 5.55 5.08 -1.18 -2.92 114.58 120.82 1q56 h GLU 181 Ca 0.00 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1q56 h GLU 181 Cb 0.20 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1q56 h GLU 181 CO 0.00 -0.19 -0.19 -0.25 -1.00 0.00 0.00 179.01 177.38 1q56 n ASP 182 N -4.39 0.49 0.11 1.42 9.92 -1.18 -3.29 116.55 119.63 1q56 n ASP 182 Ca -0.04 0.35 -0.04 0.00 -0.53 0.00 0.00 54.79 54.54 1q56 n ASP 182 Cb 0.12 -0.37 0.13 0.00 -0.64 0.00 0.00 41.12 40.35 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 2.74 0.87 0.00 2.24 0.00 -1.19 -2.53 119.26 121.38 1q56 h ALA 183 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1q56 h ALA 183 Cb 0.63 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1q56 h ALA 183 CO 0.00 0.78 0.00 1.28 0.00 0.00 0.00 179.25 181.31 1q56 n LEU 184 N -3.81 0.48 -0.10 0.00 4.77 -1.10 -2.13 117.00 115.12 1q56 n LEU 184 Ca -0.02 0.73 0.26 0.00 -0.03 0.00 0.00 56.01 56.95 1q56 n LEU 184 Cb 0.64 -0.79 0.61 0.00 -2.33 0.00 0.00 43.42 41.55 1q56 n LEU 184 CO 0.44 -0.89 1.24 -1.13 -1.33 0.00 0.00 177.39 175.71 1q56 h ASN 185 N 0.00 0.00 -2.13 -1.43 -0.00 -1.65 -3.38 115.58 106.99 1q56 h ASN 185 Ca 0.00 0.00 -0.46 0.00 -0.00 0.00 0.00 56.30 55.84 1q56 h ASN 185 Cb 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 38.32 38.39 1q56 h ASN 185 CO 0.00 0.00 0.03 0.21 -0.00 0.00 0.00 177.43 177.67 1q56 s ASN 186 N -4.36 4.75 0.00 1.15 3.04 -0.90 -5.09 114.94 113.52 1q56 s ASN 186 Ca -0.04 -0.30 0.00 0.00 0.04 0.00 0.00 52.86 52.57 1q56 s ASN 186 Cb 0.16 -0.28 0.00 0.00 -1.54 0.00 0.00 41.25 39.59 1q56 s ASN 186 CO 0.53 -1.56 0.00 -0.81 -3.04 0.00 0.00 177.10 172.23 1q56 n PRO 187 N -2.60 0.00 -2.10 0.43 -0.04 -1.26 -4.92 135.00 124.51 1q56 n PRO 187 Ca 0.13 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.20 1q56 n PRO 187 Cb 0.60 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 34.06 1q56 n PRO 187 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1q56 s THR 188 N 0.02 2.75 -0.16 0.52 -1.32 -1.26 -5.02 115.64 111.17 1q56 s THR 188 Ca 0.00 0.62 0.00 0.00 -1.21 0.00 0.00 61.69 61.10 1q56 s THR 188 Cb 0.00 -3.34 0.03 0.00 -1.51 0.00 0.00 72.50 67.68 1q56 s THR 188 CO 0.00 0.04 -0.09 -0.63 -2.21 0.00 0.00 174.62 171.73 1q56 s ILE 189 N -1.37 1.33 -0.07 5.08 1.01 -1.26 -5.10 121.20 120.82 1q56 s ILE 189 Ca 0.61 -0.64 -0.14 0.00 0.00 0.00 0.00 60.65 60.47 1q56 s ILE 189 Cb -0.35 -1.38 -0.05 0.00 0.01 0.00 0.00 42.46 40.69 1q56 s ILE 189 CO 0.43 0.27 0.37 -0.76 0.00 0.00 0.00 174.94 175.25 1q56 s LEU 190 N 1.56 4.38 0.10 2.97 2.01 -1.26 -5.01 118.68 123.43 1q56 s LEU 190 Ca 0.02 0.78 0.08 0.00 0.01 0.00 0.00 54.13 55.03 1q56 s LEU 190 Cb -0.14 -2.50 -0.04 0.00 0.01 0.00 0.00 46.19 43.52 1q56 s LEU 190 CO -0.09 0.23 -0.14 -1.00 1.01 0.00 0.00 176.35 176.36 1q56 s HIS 191 N -0.44 2.63 0.00 0.29 3.76 -1.26 0.53 115.29 120.81 1q56 s HIS 191 Ca 0.22 -0.21 0.00 0.00 -0.15 0.00 0.00 55.06 54.91 1q56 s HIS 191 Cb -0.15 -1.40 0.00 0.00 1.11 0.00 0.00 32.58 32.13 1q56 s HIS 191 CO 0.10 0.39 0.00 0.00 -0.85 0.00 0.00 174.74 174.37 1q56 s SER 193 N -1.47 2.20 0.00 0.00 1.04 -1.26 -4.94 113.70 109.28 1q56 s SER 193 Ca 0.00 -0.35 0.00 0.00 0.48 0.00 0.00 55.95 56.08 1q56 s SER 193 Cb 0.00 -0.37 0.00 0.00 0.10 0.00 0.00 66.02 65.75 1q56 s SER 193 CO 0.00 0.21 0.00 0.00 0.98 0.00 0.00 173.24 174.43 1q56 n ALA 194 N 2.79 0.00 -0.88 5.32 0.00 -1.26 -5.15 120.51 121.33 1q56 n ALA 194 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1q56 n ALA 194 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 1q56 n ALA 194 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86