#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 3.42 -2.00 1.61 3.41 -1.26 -4.79 113.62 114.02 1q56 n SER 2 Ca 0.00 -3.26 -0.01 0.00 -0.26 0.00 0.00 58.87 55.34 1q56 n SER 2 Cb 0.00 -0.47 0.03 0.00 -0.26 0.00 0.00 64.21 63.51 1q56 n SER 2 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1q56 n GLU 3 N -0.38 0.38 -0.55 4.33 0.28 -1.26 -5.16 120.64 118.29 1q56 n GLU 3 Ca 0.27 -0.45 0.00 0.00 -0.16 0.00 0.00 57.16 56.82 1q56 n GLU 3 Cb 0.76 0.10 0.00 0.00 1.43 0.00 0.00 31.44 33.73 1q56 n GLU 3 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 1q56 n LYS 4 N -0.46 3.30 -1.68 3.44 2.85 -1.26 -5.04 118.16 119.31 1q56 n LYS 4 Ca -0.09 0.00 -0.51 0.00 -1.05 0.00 0.00 58.31 56.66 1q56 n LYS 4 Cb 0.62 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.95 1q56 n LYS 4 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 177.40 178.68 1q56 n VAL 5 N -0.04 0.50 -2.79 0.58 0.24 -1.26 -4.92 118.33 110.64 1q56 n VAL 5 Ca 0.00 -0.10 -0.34 0.00 -2.04 0.00 0.00 64.34 61.86 1q56 n VAL 5 Cb 0.00 -1.71 -0.07 0.00 -1.47 0.00 0.00 33.84 30.60 1q56 n VAL 5 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1q56 s ILE 6 N 4.13 4.30 -0.18 1.34 -1.09 -1.26 -5.05 121.20 123.39 1q56 s ILE 6 Ca 0.95 1.52 0.01 0.00 -2.23 0.00 0.00 60.65 60.90 1q56 s ILE 6 Cb -0.80 -3.66 0.02 0.00 -1.58 0.00 0.00 42.46 36.44 1q56 s ILE 6 CO 0.55 -0.23 -0.20 0.27 -1.23 0.00 0.00 174.94 174.11 1q56 s ILE 7 N -2.06 2.10 -0.21 2.92 -5.25 -1.26 -5.10 121.20 112.36 1q56 s ILE 7 Ca 0.60 -0.93 0.02 0.00 -0.99 0.00 0.00 60.65 59.35 1q56 s ILE 7 Cb -0.11 -1.88 0.04 0.00 2.95 0.00 0.00 42.46 43.45 1q56 s ILE 7 CO 0.16 0.54 -0.14 -1.83 -1.79 0.00 0.00 174.94 171.87 1q56 s GLU 8 N 1.25 2.47 1.02 0.37 -1.05 -1.26 -5.12 118.70 116.39 1q56 s GLU 8 Ca 0.04 -0.97 -0.12 0.00 -0.15 0.00 0.00 54.97 53.77 1q56 s GLU 8 Cb -0.13 -2.60 0.20 0.00 -0.44 0.00 0.00 34.13 31.16 1q56 s GLU 8 CO -0.12 -0.38 1.07 0.21 0.95 0.00 0.00 175.26 177.00 1q56 s LYS 9 N 1.27 0.21 0.34 -4.83 2.20 -1.26 -4.99 119.74 112.68 1q56 s LYS 9 Ca -0.01 0.91 -0.20 0.00 -0.36 0.00 0.00 55.97 56.31 1q56 s LYS 9 Cb -0.16 -1.68 -0.10 0.00 -1.51 0.00 0.00 37.83 34.38 1q56 s LYS 9 CO -0.09 -2.98 0.85 0.00 -0.36 0.00 0.00 175.35 172.76 1q56 s ALA 10 N -2.70 3.23 -1.28 3.13 0.00 -1.26 -4.97 121.76 117.91 1q56 s ALA 10 Ca 0.66 0.29 -0.07 0.00 0.00 0.00 0.00 51.96 52.84 1q56 s ALA 10 Cb -0.22 -2.99 0.16 0.00 0.00 0.00 0.00 23.12 20.07 1q56 s ALA 10 CO 0.60 0.23 2.03 0.00 0.00 0.00 0.00 175.76 178.62 1q56 n ALA 11 N -0.01 5.87 -2.67 0.00 0.00 -1.26 -4.98 120.51 117.46 1q56 n ALA 11 Ca 0.03 -4.28 -0.42 0.00 0.00 0.00 0.00 53.44 48.78 1q56 n ALA 11 Cb 0.52 -2.85 -0.03 0.00 0.00 0.00 0.00 19.45 17.09 1q56 n ALA 11 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1q56 s GLY 12 N 0.46 2.89 0.00 0.00 0.00 -1.26 -4.86 107.32 104.55 1q56 s GLY 12 Ca 0.44 0.51 0.00 0.00 0.00 0.00 0.00 44.72 45.67 1q56 s GLY 12 CO -0.02 1.62 0.62 2.09 0.00 0.00 0.00 173.10 177.41 1q56 n ASP 13 N 3.79 -0.15 -2.62 1.64 5.75 -1.26 -4.97 116.55 118.72 1q56 n ASP 13 Ca 0.05 -1.24 -0.31 0.00 -0.01 0.00 0.00 54.79 53.29 1q56 n ASP 13 Cb 0.51 0.04 -0.03 0.00 -1.03 0.00 0.00 41.12 40.61 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 0.01 6.48 -1.32 2.12 0.00 -1.26 -4.86 120.51 121.67 1q56 n ALA 14 Ca -0.05 -3.38 -0.42 0.00 0.00 0.00 0.00 53.44 49.59 1q56 n ALA 14 Cb 0.55 -2.10 -0.05 0.00 0.00 0.00 0.00 19.45 17.85 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 0.44 1.78 -3.91 0.00 0.28 -1.26 -4.87 120.64 113.10 1q56 n GLU 15 Ca 0.50 -2.04 -0.35 0.00 -0.16 0.00 0.00 57.16 55.12 1q56 n GLU 15 Cb 0.45 -3.03 -0.14 0.00 1.43 0.00 0.00 31.44 30.15 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 4.94 2.80 -0.13 -1.84 0.00 -1.26 -4.45 121.76 121.81 1q56 s ALA 16 Ca 0.56 -1.20 -0.01 0.00 0.00 0.00 0.00 51.96 51.31 1q56 s ALA 16 Cb 0.14 -1.70 -0.02 0.00 0.00 0.00 0.00 23.12 21.53 1q56 s ALA 16 CO 0.08 -0.48 -0.10 0.42 0.00 0.00 0.00 175.76 175.69 1q56 s ILE 17 N 1.46 3.38 -0.34 0.00 -1.09 -1.17 -3.68 121.20 119.76 1q56 s ILE 17 Ca 0.05 -0.55 -0.20 0.00 -2.23 0.00 0.00 60.65 57.72 1q56 s ILE 17 Cb -0.14 -2.43 -0.00 0.00 -1.58 0.00 0.00 42.46 38.30 1q56 s ILE 17 CO -0.03 0.52 0.61 0.00 -1.23 0.00 0.00 174.94 174.81 1q56 s ALA 18 N 0.19 3.48 0.87 9.38 0.00 0.91 -2.71 121.76 133.88 1q56 s ALA 18 Ca -0.05 -0.81 -0.12 0.00 0.00 0.00 0.00 51.96 50.97 1q56 s ALA 18 Cb -0.15 -3.12 0.11 0.00 0.00 0.00 0.00 23.12 19.96 1q56 s ALA 18 CO 0.04 -1.23 1.12 -0.06 0.00 0.00 0.00 175.76 175.62 1q56 s PHE 19 N 2.63 2.62 -0.12 0.00 0.40 0.35 -4.62 117.98 119.23 1q56 s PHE 19 Ca 0.24 1.00 0.03 0.00 -0.60 0.00 0.00 56.93 57.59 1q56 s PHE 19 Cb -0.15 -3.26 -0.03 0.00 0.51 0.00 0.00 43.02 40.09 1q56 s PHE 19 CO 0.14 -2.15 0.11 -0.40 0.70 0.00 0.00 175.22 173.62 1q56 n ASP 20 N -3.65 0.18 0.00 1.36 5.75 -1.23 -3.83 116.55 115.12 1q56 n ASP 20 Ca 0.07 -0.55 0.00 0.00 -0.01 0.00 0.00 54.79 54.29 1q56 n ASP 20 Cb 0.58 1.00 0.00 0.00 -1.03 0.00 0.00 41.12 41.67 1q56 n ASP 20 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1q56 n GLY 21 N 1.08 0.43 0.60 6.12 0.00 -0.28 -4.76 105.19 108.36 1q56 n GLY 21 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1q56 n GLY 21 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1q56 n ARG 22 N -1.45 0.00 -3.88 1.61 0.00 -1.26 0.15 116.66 111.82 1q56 n ARG 22 Ca 0.00 -0.76 -0.34 0.00 -0.00 0.00 0.00 57.85 56.74 1q56 n ARG 22 Cb 0.00 -0.27 -0.13 0.00 0.00 0.00 0.00 32.46 32.06 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 0.00 2.90 -0.12 5.15 2.01 -1.26 -4.95 115.64 119.36 1q56 s THR 23 Ca 0.03 -1.96 -0.29 0.00 0.31 0.00 0.00 61.69 59.78 1q56 s THR 23 Cb 0.03 -2.94 -0.05 0.00 0.01 0.00 0.00 72.50 69.56 1q56 s THR 23 CO -0.01 -0.50 1.70 -0.72 -0.69 0.00 0.00 174.62 174.39 1q56 s TYR 24 N 1.10 1.93 -0.51 4.92 1.13 -1.26 -4.68 117.35 119.98 1q56 s TYR 24 Ca 0.05 0.31 -0.09 0.00 -1.41 0.00 0.00 57.07 55.93 1q56 s TYR 24 Cb -0.21 -3.96 0.13 0.00 -1.10 0.00 0.00 41.96 36.82 1q56 s TYR 24 CO -0.04 -3.63 0.38 -1.64 -2.51 0.00 0.00 175.55 168.11 1q56 s MET 25 N 4.45 2.56 0.13 -3.49 -1.94 -1.15 -4.91 119.30 114.95 1q56 s MET 25 Ca 0.75 -1.88 0.05 0.00 -1.71 0.00 0.00 55.69 52.91 1q56 s MET 25 Cb -0.31 -3.95 -0.04 0.00 2.01 0.00 0.00 34.83 32.55 1q56 s MET 25 CO 0.30 -1.20 0.05 -1.83 -0.01 0.00 0.00 175.02 172.33 1q56 s GLU 26 N 1.17 2.67 -0.08 2.03 -1.05 -1.26 -0.18 118.70 121.99 1q56 s GLU 26 Ca 0.07 -0.88 0.01 0.00 -0.15 0.00 0.00 54.97 54.02 1q56 s GLU 26 Cb -0.25 -2.56 0.02 0.00 -0.44 0.00 0.00 34.13 30.90 1q56 s GLU 26 CO -0.01 0.51 -0.08 0.71 0.95 0.00 0.00 175.26 177.34 1q56 s TYR 27 N -1.53 1.30 -0.86 4.83 2.02 0.08 -4.62 117.35 118.57 1q56 s TYR 27 Ca 0.28 -0.55 -0.15 0.00 -0.37 0.00 0.00 57.07 56.28 1q56 s TYR 27 Cb -0.11 -1.06 0.20 0.00 -0.40 0.00 0.00 41.96 40.59 1q56 s TYR 27 CO 0.20 -0.37 0.87 -1.01 -1.57 0.00 0.00 175.55 173.66 1q56 s HIS 28 N 1.27 3.64 0.30 2.71 3.76 -1.26 -2.65 115.29 123.06 1q56 s HIS 28 Ca -0.04 -1.88 -0.11 0.00 -0.15 0.00 0.00 55.06 52.88 1q56 s HIS 28 Cb -0.14 -3.93 -0.07 0.00 1.11 0.00 0.00 32.58 29.55 1q56 s HIS 28 CO -0.03 -1.10 0.65 -0.80 -0.85 0.00 0.00 174.74 172.60 1q56 s ASN 29 N 2.47 6.62 -0.47 1.40 0.01 -0.38 -5.00 114.94 119.58 1q56 s ASN 29 Ca 0.22 1.03 -0.22 0.00 -0.71 0.00 0.00 52.86 53.19 1q56 s ASN 29 Cb -0.09 -2.27 0.03 0.00 0.41 0.00 0.00 41.25 39.33 1q56 s ASN 29 CO -0.09 -0.20 0.73 0.00 -1.51 0.00 0.00 177.10 176.04 1q56 s ALA 30 N -2.02 3.30 0.24 0.60 0.00 -1.26 -4.59 121.76 118.03 1q56 s ALA 30 Ca 0.50 -1.26 0.01 0.00 0.00 0.00 0.00 51.96 51.21 1q56 s ALA 30 Cb -0.11 -3.44 -0.05 0.00 0.00 0.00 0.00 23.12 19.53 1q56 s ALA 30 CO 0.24 -1.98 0.09 0.14 0.00 0.00 0.00 175.76 174.25 1q56 s VAL 31 N 3.12 0.49 -0.04 0.00 -7.23 -1.26 -5.10 120.40 110.37 1q56 s VAL 31 Ca 0.25 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.40 1q56 s VAL 31 Cb -0.14 -2.56 0.03 0.00 0.56 0.00 0.00 36.38 34.27 1q56 s VAL 31 CO 0.19 -0.06 0.08 0.42 -0.31 0.00 0.00 175.10 175.42 1q56 s THR 32 N -3.80 -0.10 -0.56 5.32 -4.23 -1.26 -4.84 115.64 106.17 1q56 s THR 32 Ca 0.36 0.28 -0.30 0.00 -1.18 0.00 0.00 61.69 60.85 1q56 s THR 32 Cb 0.08 -0.16 -0.12 0.00 1.34 0.00 0.00 72.50 73.63 1q56 s THR 32 CO 0.12 0.12 2.40 2.29 -0.54 0.00 0.00 174.62 179.01 1q56 n LYS 33 N 4.64 0.84 0.34 3.99 2.85 -1.26 -4.82 118.16 124.74 1q56 n LYS 33 Ca -0.18 0.12 -0.18 0.00 -1.05 0.00 0.00 58.31 57.02 1q56 n LYS 33 Cb 0.50 -2.63 -0.09 0.00 -0.65 0.00 0.00 35.03 32.16 1q56 n LYS 33 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 177.40 178.12 1q56 h SER 34 N 15.16 -1.13 -2.79 -5.58 0.02 -2.02 -3.43 113.55 113.78 1q56 h SER 34 Ca -0.21 0.08 -0.20 0.00 -0.84 0.00 0.00 61.79 60.62 1q56 h SER 34 Cb 1.30 0.35 -0.32 0.00 0.14 0.00 0.00 62.40 63.87 1q56 h SER 34 CO 1.16 -0.65 -0.51 -1.61 -1.14 0.00 0.00 176.83 174.09 1q56 s GLU 35 N -5.96 0.18 0.31 3.45 2.02 -1.26 -5.10 118.70 112.33 1q56 s GLU 35 Ca -0.18 0.78 0.00 0.00 0.02 0.00 0.00 54.97 55.59 1q56 s GLU 35 Cb 0.04 -0.00 0.00 0.00 0.10 0.00 0.00 34.13 34.27 1q56 s GLU 35 CO 0.61 -0.29 0.00 1.17 0.02 0.00 0.00 175.26 176.77 1q56 n LYS 36 N 5.36 -2.39 0.02 1.61 3.00 -1.26 -4.86 118.16 119.63 1q56 n LYS 36 Ca -0.06 1.82 -0.19 0.00 -0.00 0.00 0.00 58.31 59.88 1q56 n LYS 36 Cb 0.50 -2.15 -0.14 0.00 0.00 0.00 0.00 35.03 33.23 1q56 n LYS 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1q56 h ALA 37 N 0.51 0.45 -2.68 3.14 0.00 -1.95 -3.47 119.26 115.25 1q56 h ALA 37 Ca 0.00 -1.34 -0.57 0.00 0.00 0.00 0.00 54.91 52.99 1q56 h ALA 37 Cb 0.26 0.58 -0.08 0.00 0.00 0.00 0.00 17.79 18.56 1q56 h ALA 37 CO 0.00 1.31 -0.58 -0.48 0.00 0.00 0.00 179.25 179.50 1q56 s LEU 38 N -6.89 3.69 0.00 0.00 -0.00 -1.26 -4.54 118.68 109.68 1q56 s LEU 38 Ca -0.17 -0.21 0.00 0.00 -0.00 0.00 0.00 54.13 53.76 1q56 s LEU 38 Cb 0.07 -2.30 0.00 0.00 -0.00 0.00 0.00 46.19 43.96 1q56 s LEU 38 CO 0.80 0.06 0.00 1.67 -0.00 0.00 0.00 176.35 178.88 1q56 n GLN 39 N -0.38 0.00 -3.62 1.48 7.27 -1.26 -4.98 117.38 115.89 1q56 n GLN 39 Ca -0.08 0.00 -0.04 0.00 0.07 0.00 0.00 57.00 56.95 1q56 n GLN 39 Cb 0.55 0.00 -0.06 0.00 2.41 0.00 0.00 30.24 33.14 1q56 n GLN 39 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 1q56 s SER 40 N -2.25 -0.81 0.30 1.69 0.01 -1.26 0.76 113.70 112.14 1q56 s SER 40 Ca 0.00 1.30 0.07 0.00 1.31 0.00 0.00 55.95 58.63 1q56 s SER 40 Cb 0.00 1.93 -0.02 0.00 0.21 0.00 0.00 66.02 68.14 1q56 s SER 40 CO 0.00 -0.23 0.33 0.20 0.41 0.00 0.00 173.24 173.95 1q56 s ASN 41 N 2.79 5.66 -0.02 2.44 0.01 -0.03 -4.93 114.94 120.86 1q56 s ASN 41 Ca -0.02 -0.28 0.00 0.00 -0.71 0.00 0.00 52.86 51.84 1q56 s ASN 41 Cb -0.12 -1.26 0.02 0.00 0.41 0.00 0.00 41.25 40.30 1q56 s ASN 41 CO -0.17 -0.27 0.01 -1.00 -1.51 0.00 0.00 177.10 174.17 1q56 s HIS 42 N -2.19 0.14 -0.13 2.20 3.76 -1.26 -2.46 115.29 115.35 1q56 s HIS 42 Ca 0.39 0.05 -0.02 0.00 -0.15 0.00 0.00 55.06 55.33 1q56 s HIS 42 Cb -0.08 -0.24 0.04 0.00 1.11 0.00 0.00 32.58 33.42 1q56 s HIS 42 CO 0.28 -0.08 0.02 -0.06 -0.85 0.00 0.00 174.74 174.05 1q56 s PHE 43 N 0.74 0.81 0.04 1.40 0.08 -0.58 -2.32 117.98 118.13 1q56 s PHE 43 Ca -0.07 -0.47 0.08 0.00 0.12 0.00 0.00 56.93 56.59 1q56 s PHE 43 Cb -0.10 -0.90 -0.02 0.00 -0.57 0.00 0.00 43.02 41.43 1q56 s PHE 43 CO -0.02 -0.46 -0.22 -1.21 -0.10 0.00 0.00 175.22 173.22 1q56 s GLU 44 N 1.93 1.50 -0.26 0.44 8.01 0.32 -1.13 118.70 129.50 1q56 s GLU 44 Ca 0.02 -0.95 -0.37 0.00 0.01 0.00 0.00 54.97 53.68 1q56 s GLU 44 Cb -0.14 -1.60 0.15 0.00 -4.31 0.00 0.00 34.13 28.23 1q56 s GLU 44 CO -0.07 0.41 1.34 -0.48 0.01 0.00 0.00 175.26 176.47 1q56 s LEU 45 N -1.10 -0.05 0.17 1.80 2.34 -1.15 0.16 118.68 120.85 1q56 s LEU 45 Ca 0.08 0.00 0.09 0.00 0.06 0.00 0.00 54.13 54.37 1q56 s LEU 45 Cb -0.09 1.13 -0.04 0.00 -0.56 0.00 0.00 46.19 46.63 1q56 s LEU 45 CO 0.01 -0.08 -0.20 -0.44 -1.06 0.00 0.00 176.35 174.59 1q56 s SER 46 N -2.00 2.90 0.05 1.48 0.01 -0.94 -0.47 113.70 114.73 1q56 s SER 46 Ca 0.11 -0.85 -0.11 0.00 1.31 0.00 0.00 55.95 56.41 1q56 s SER 46 Cb -0.01 -0.19 0.01 0.00 0.21 0.00 0.00 66.02 66.04 1q56 s SER 46 CO -0.03 0.02 0.24 0.27 0.41 0.00 0.00 173.24 174.15 1q56 s ILE 47 N -1.84 0.10 -0.83 1.44 -4.36 -0.73 -1.84 121.20 113.15 1q56 s ILE 47 Ca 0.16 -0.86 -0.07 0.00 -0.26 0.00 0.00 60.65 59.62 1q56 s ILE 47 Cb -0.07 -1.01 0.21 0.00 1.25 0.00 0.00 42.46 42.84 1q56 s ILE 47 CO 0.07 -0.47 0.73 -0.75 0.24 0.00 0.00 174.94 174.76 1q56 s LYS 48 N -2.85 3.33 0.55 0.37 2.47 0.76 -2.28 119.74 122.09 1q56 s LYS 48 Ca -0.03 -2.79 -0.17 0.00 -1.56 0.00 0.00 55.97 51.42 1q56 s LYS 48 Cb 0.00 -4.14 -0.06 0.00 -1.46 0.00 0.00 37.83 32.17 1q56 s LYS 48 CO -0.05 -1.24 1.04 0.95 0.16 0.00 0.00 175.35 176.20 1q56 s THR 49 N -0.47 3.91 0.00 3.43 -4.23 -1.26 -1.38 115.64 115.63 1q56 s THR 49 Ca 0.22 0.98 0.00 0.00 -1.18 0.00 0.00 61.69 61.71 1q56 s THR 49 Cb -0.12 -3.45 0.00 0.00 1.34 0.00 0.00 72.50 70.27 1q56 s THR 49 CO -0.08 -0.46 0.08 -0.62 -0.54 0.00 0.00 174.62 173.01 1q56 n GLU 50 N -1.67 0.00 -3.80 3.99 -0.58 -1.12 -2.23 120.64 115.23 1q56 n GLU 50 Ca 0.09 -0.08 -0.16 0.00 -0.42 0.00 0.00 57.16 56.58 1q56 n GLU 50 Cb 0.53 -0.41 -0.16 0.00 -0.57 0.00 0.00 31.44 30.82 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 0.16 -0.18 0.62 0.00 -1.26 -5.00 121.76 116.10 1q56 s ALA 51 Ca 0.00 0.26 0.25 0.00 0.00 0.00 0.00 51.96 52.46 1q56 s ALA 51 Cb 0.00 -0.31 1.24 0.00 0.00 0.00 0.00 23.12 24.05 1q56 s ALA 51 CO 0.00 -0.15 1.75 1.79 0.00 0.00 0.00 175.76 179.15 1q56 h THR 52 N 6.30 0.00 -3.85 0.00 1.35 -1.94 -3.42 112.91 111.35 1q56 h THR 52 Ca -0.41 -0.08 -0.48 0.00 -0.55 0.00 0.00 66.41 64.89 1q56 h THR 52 Cb 1.12 0.68 -0.31 0.00 -1.73 0.00 0.00 68.15 67.92 1q56 h THR 52 CO 0.44 0.00 -0.81 -1.58 -0.25 0.00 0.00 175.52 173.32 1q56 s GLN 53 N -3.55 1.27 0.00 4.72 2.00 -1.26 -0.96 119.66 121.89 1q56 s GLN 53 Ca -0.01 -0.42 0.00 0.00 -2.00 0.00 0.00 55.36 52.93 1q56 s GLN 53 Cb 0.08 -1.15 0.00 0.00 0.80 0.00 0.00 33.01 32.74 1q56 s GLN 53 CO 0.28 0.16 0.00 0.41 -0.50 0.00 0.00 175.29 175.64 1q56 n GLY 54 N 3.23 3.79 3.68 2.59 0.00 -0.46 -4.76 105.19 113.26 1q56 n GLY 54 Ca -0.18 -0.18 -0.39 0.00 0.00 0.00 0.00 46.02 45.27 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 4.20 -0.09 0.99 0.05 0.51 0.17 118.68 124.51 1q56 s LEU 55 Ca 0.00 0.79 0.05 0.00 0.05 0.00 0.00 54.13 55.02 1q56 s LEU 55 Cb 0.00 -2.77 -0.24 0.00 -2.05 0.00 0.00 46.19 41.13 1q56 s LEU 55 CO 0.00 -0.14 0.47 -0.38 -0.55 0.00 0.00 176.35 175.75 1q56 n ILE 56 N 4.25 1.66 -3.93 1.48 -0.00 0.76 -2.19 119.36 121.39 1q56 n ILE 56 Ca -0.04 -0.74 -0.10 0.00 -0.00 0.00 0.00 62.75 61.87 1q56 n ILE 56 Cb 0.51 -1.29 -0.10 0.00 -0.00 0.00 0.00 39.64 38.76 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 -6.44 1.88 -0.30 1.39 0.20 0.39 0.28 118.68 116.08 1q56 s LEU 57 Ca -0.13 -0.43 -0.02 0.00 0.69 0.00 0.00 54.13 54.24 1q56 s LEU 57 Cb 0.07 0.45 0.19 0.00 -0.43 0.00 0.00 46.19 46.48 1q56 s LEU 57 CO 0.79 -0.40 0.69 0.86 -0.29 0.00 0.00 176.35 178.00 1q56 s TRP 58 N -1.90 -1.45 -0.07 5.38 -0.11 0.26 0.20 118.94 121.26 1q56 s TRP 58 Ca -0.11 1.31 0.03 0.00 1.22 0.00 0.00 56.10 58.55 1q56 s TRP 58 Cb -0.06 0.42 -0.02 0.00 -1.50 0.00 0.00 33.47 32.31 1q56 s TRP 58 CO -0.02 -0.81 -0.14 -1.12 -4.62 0.00 0.00 176.95 170.24 1q56 s SER 59 N 2.87 3.99 0.50 5.86 0.01 -0.66 -2.18 113.70 124.10 1q56 s SER 59 Ca 0.15 -0.24 0.00 0.00 1.31 0.00 0.00 55.95 57.18 1q56 s SER 59 Cb -0.12 -1.04 -0.00 0.00 0.21 0.00 0.00 66.02 65.07 1q56 s SER 59 CO -0.21 0.30 0.01 0.61 0.41 0.00 0.00 173.24 174.36 1q56 n GLY 60 N 2.64 3.53 2.68 3.44 0.00 -1.26 -3.11 105.19 113.11 1q56 n GLY 60 Ca -0.17 -2.35 -0.28 0.00 0.00 0.00 0.00 46.02 43.21 1q56 n GLY 60 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1q56 n LYS 61 N -1.24 3.39 0.00 1.61 4.81 -1.26 -4.39 118.16 121.07 1q56 n LYS 61 Ca -0.20 -4.61 0.00 0.00 -0.87 0.00 0.00 58.31 52.63 1q56 n LYS 61 Cb 0.64 -2.25 0.00 0.00 0.02 0.00 0.00 35.03 33.44 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 -0.38 0.52 7.00 3.14 0.00 -1.26 -4.90 105.19 109.31 1q56 n GLY 62 Ca 0.37 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.96 1q56 n GLY 62 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1q56 n LEU 63 N 0.00 0.00 -0.16 0.99 4.32 -1.26 -4.43 117.00 116.46 1q56 n LEU 63 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1q56 n LEU 63 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 1q56 n LEU 63 CO 0.00 -0.05 0.25 -0.62 -1.22 0.00 0.00 177.39 175.76 1q56 n GLU 64 N 0.00 0.04 0.00 3.23 1.02 -1.26 -4.95 120.64 118.72 1q56 n GLU 64 Ca 0.00 -0.68 0.00 0.00 -0.02 0.00 0.00 57.16 56.46 1q56 n GLU 64 Cb 0.00 -0.51 0.00 0.00 -0.02 0.00 0.00 31.44 30.91 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 -0.01 0.00 -4.91 3.49 1.85 -1.26 -5.14 116.66 110.68 1q56 n ARG 65 Ca 0.00 0.00 -0.33 0.00 -1.00 0.00 0.00 57.85 56.53 1q56 n ARG 65 Cb 0.56 0.00 -0.13 0.00 -1.05 0.00 0.00 32.46 31.84 1q56 n ARG 65 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 1q56 s SER 66 N 0.00 3.96 1.05 2.89 1.04 -1.26 -5.11 113.70 116.27 1q56 s SER 66 Ca 0.00 -0.22 -0.13 0.00 0.48 0.00 0.00 55.95 56.08 1q56 s SER 66 Cb 0.00 -0.81 0.16 0.00 0.10 0.00 0.00 66.02 65.47 1q56 s SER 66 CO 0.00 0.34 0.68 0.47 0.98 0.00 0.00 173.24 175.72 1q56 n ASP 67 N 2.29 -1.45 0.00 7.02 8.00 -1.26 -4.71 116.55 126.44 1q56 n ASP 67 Ca -0.17 0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.43 1q56 n ASP 67 Cb 0.52 -1.23 0.00 0.00 -0.02 0.00 0.00 41.12 40.39 1q56 n ASP 67 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1q56 n TYR 68 N -4.38 0.00 -4.45 1.24 4.19 -0.79 -4.70 117.16 108.28 1q56 n TYR 68 Ca 0.06 0.00 -0.22 0.00 3.31 0.00 0.00 57.90 61.05 1q56 n TYR 68 Cb 0.55 0.00 -0.10 0.00 0.49 0.00 0.00 39.34 40.29 1q56 n TYR 68 CO 0.00 0.00 0.00 0.42 0.91 0.00 0.00 176.86 178.19 1q56 s ILE 69 N 0.00 0.85 0.01 2.97 -1.09 -1.18 -0.35 121.20 122.41 1q56 s ILE 69 Ca 0.00 -2.00 -0.29 0.00 -2.23 0.00 0.00 60.65 56.13 1q56 s ILE 69 Cb 0.00 -2.61 0.10 0.00 -1.58 0.00 0.00 42.46 38.38 1q56 s ILE 69 CO 0.00 0.00 1.25 0.00 -1.23 0.00 0.00 174.94 174.96 1q56 s ALA 70 N -3.36 -2.24 -0.21 9.38 0.00 -1.12 -1.65 121.76 122.55 1q56 s ALA 70 Ca 0.32 0.31 -0.06 0.00 0.00 0.00 0.00 51.96 52.53 1q56 s ALA 70 Cb 0.06 0.62 0.10 0.00 0.00 0.00 0.00 23.12 23.91 1q56 s ALA 70 CO 0.15 -1.09 0.42 -0.51 0.00 0.00 0.00 175.76 174.73 1q56 s LEU 71 N -3.35 -0.68 0.29 0.00 1.43 0.53 -2.63 118.68 114.28 1q56 s LEU 71 Ca 0.21 0.84 0.02 0.00 -1.03 0.00 0.00 54.13 54.18 1q56 s LEU 71 Cb 0.02 1.35 -0.05 0.00 0.03 0.00 0.00 46.19 47.54 1q56 s LEU 71 CO -0.01 -0.25 0.10 0.00 0.23 0.00 0.00 176.35 176.42 1q56 s ALA 72 N 2.61 1.99 -0.03 4.21 0.00 -1.10 0.27 121.76 129.71 1q56 s ALA 72 Ca 0.02 -1.86 0.07 0.00 0.00 0.00 0.00 51.96 50.19 1q56 s ALA 72 Cb -0.13 0.95 -0.02 0.00 0.00 0.00 0.00 23.12 23.93 1q56 s ALA 72 CO -0.14 -0.42 -0.23 0.42 0.00 0.00 0.00 175.76 175.39 1q56 s ILE 73 N -3.59 1.86 -0.00 0.00 1.01 0.45 -0.46 121.20 120.47 1q56 s ILE 73 Ca 0.36 -1.00 -0.02 0.00 0.00 0.00 0.00 60.65 60.00 1q56 s ILE 73 Cb 0.07 -1.55 -0.00 0.00 0.01 0.00 0.00 42.46 40.99 1q56 s ILE 73 CO 0.15 0.53 0.04 0.54 0.00 0.00 0.00 174.94 176.19 1q56 s VAL 74 N -0.46 0.05 -1.25 2.92 0.11 0.53 -1.36 120.40 120.94 1q56 s VAL 74 Ca 0.06 -0.39 0.00 0.00 -2.93 0.00 0.00 61.98 58.72 1q56 s VAL 74 Cb -0.10 -0.19 0.00 0.00 -1.53 0.00 0.00 36.38 34.56 1q56 s VAL 74 CO -0.00 -0.22 0.00 0.47 -3.33 0.00 0.00 175.10 172.02 1q56 n ASP 75 N 2.35 -4.02 0.00 3.54 8.00 -0.84 0.86 116.55 126.44 1q56 n ASP 75 Ca -0.18 0.21 0.00 0.00 0.71 0.00 0.00 54.79 55.54 1q56 n ASP 75 Cb 0.58 -3.49 0.00 0.00 -0.02 0.00 0.00 41.12 38.18 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 -0.67 0.46 3.24 0.44 0.00 -0.13 -5.00 105.19 103.53 1q56 n GLY 76 Ca -0.15 -0.47 -0.23 0.00 0.00 0.00 0.00 46.02 45.17 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 1.62 0.40 1.61 0.40 0.25 -2.96 117.98 117.30 1q56 s PHE 77 Ca 0.00 -0.41 0.07 0.00 -0.60 0.00 0.00 56.93 55.99 1q56 s PHE 77 Cb 0.00 -0.91 0.00 0.00 0.51 0.00 0.00 43.02 42.62 1q56 s PHE 77 CO 0.00 0.14 0.56 0.08 0.70 0.00 0.00 175.22 176.69 1q56 s VAL 78 N -1.08 3.40 -0.29 -0.44 1.01 -1.26 0.20 120.40 121.94 1q56 s VAL 78 Ca 0.04 -0.95 -0.12 0.00 0.00 0.00 0.00 61.98 60.96 1q56 s VAL 78 Cb -0.10 -3.17 0.11 0.00 0.00 0.00 0.00 36.38 33.23 1q56 s VAL 78 CO 0.03 -0.07 0.67 0.00 0.00 0.00 0.00 175.10 175.73 1q56 s GLN 79 N -4.33 0.62 -0.38 2.72 -2.07 0.39 0.94 119.66 117.55 1q56 s GLN 79 Ca 0.51 1.37 -0.24 0.00 -1.82 0.00 0.00 55.36 55.19 1q56 s GLN 79 Cb -0.10 0.64 0.01 0.00 -1.09 0.00 0.00 33.01 32.47 1q56 s GLN 79 CO 0.33 -0.18 0.82 1.41 -1.32 0.00 0.00 175.29 176.34 1q56 s MET 80 N 2.49 3.71 -0.10 9.60 -2.45 -1.14 -2.71 119.30 128.70 1q56 s MET 80 Ca -0.07 0.30 -0.06 0.00 -1.25 0.00 0.00 55.69 54.61 1q56 s MET 80 Cb -0.10 -3.83 -0.04 0.00 1.25 0.00 0.00 34.83 32.11 1q56 s MET 80 CO -0.19 -0.92 0.13 0.00 1.05 0.00 0.00 175.02 175.09 1q56 s MET 81 N 3.23 3.37 -0.30 4.11 0.00 -1.08 -2.46 119.30 126.17 1q56 s MET 81 Ca 0.33 -0.20 0.03 0.00 0.00 0.00 0.00 55.69 55.85 1q56 s MET 81 Cb -0.13 -3.12 0.08 0.00 0.00 0.00 0.00 34.83 31.66 1q56 s MET 81 CO 0.18 0.75 -0.04 0.71 0.00 0.00 0.00 175.02 176.63 1q56 s TYR 82 N -1.06 3.47 -0.29 3.16 2.02 -1.05 -2.79 117.35 120.80 1q56 s TYR 82 Ca 0.17 -2.62 0.08 0.00 -0.37 0.00 0.00 57.07 54.32 1q56 s TYR 82 Cb -0.12 -2.37 0.46 0.00 -0.40 0.00 0.00 41.96 39.53 1q56 s TYR 82 CO 0.06 -0.91 1.18 -3.47 -1.57 0.00 0.00 175.55 170.85 1q56 n ASP 83 N 4.36 4.78 -0.14 2.29 -0.08 0.53 -2.43 116.55 125.85 1q56 n ASP 83 Ca -0.06 -3.68 0.23 0.00 -1.51 0.00 0.00 54.79 49.78 1q56 n ASP 83 Cb 0.42 -0.35 0.36 0.00 2.34 0.00 0.00 41.12 43.89 1q56 n ASP 83 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1q56 n LEU 84 N -0.70 0.00 0.01 -2.67 -0.00 -0.69 -1.88 117.00 111.07 1q56 n LEU 84 Ca 0.42 0.70 0.00 0.00 -0.00 0.00 0.00 56.01 57.13 1q56 n LEU 84 Cb 0.95 -0.22 0.00 0.00 -0.00 0.00 0.00 43.42 44.15 1q56 n LEU 84 CO 0.38 -0.70 0.00 0.61 -0.00 0.00 0.00 177.39 177.69 1q56 n GLY 85 N -1.65 -0.12 0.30 1.47 0.00 -1.26 -4.20 105.19 99.72 1q56 n GLY 85 Ca 0.20 0.01 -0.01 0.00 0.00 0.00 0.00 46.02 46.22 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 -2.53 -0.09 -3.65 1.61 7.64 -1.24 -4.80 113.62 110.55 1q56 n SER 86 Ca 0.00 -0.40 -0.28 0.00 1.01 0.00 0.00 58.87 59.20 1q56 n SER 86 Cb 0.00 0.03 -0.11 0.00 -1.01 0.00 0.00 64.21 63.11 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 1.65 -0.90 1.43 3.01 -1.26 -5.04 119.74 118.62 1q56 s LYS 87 Ca 0.00 -2.67 -0.25 0.00 -1.01 0.00 0.00 55.97 52.04 1q56 s LYS 87 Cb 0.00 -2.41 -0.06 0.00 -1.01 0.00 0.00 37.83 34.35 1q56 s LYS 87 CO 0.00 -1.32 1.99 -1.25 0.51 0.00 0.00 175.35 175.27 1q56 s PRO 88 N -0.62 2.47 0.59 -1.68 0.04 -1.24 -4.02 135.00 130.55 1q56 s PRO 88 Ca 0.28 -0.25 -0.15 0.00 0.04 0.00 0.00 61.00 60.91 1q56 s PRO 88 Cb -0.02 -5.05 -0.04 0.00 0.04 0.00 0.00 34.50 29.43 1q56 s PRO 88 CO -0.17 -3.50 1.05 0.54 0.04 0.00 0.00 177.00 174.96 1q56 s VAL 89 N 10.54 3.94 -0.13 -0.36 0.11 -1.02 -4.76 120.40 128.72 1q56 s VAL 89 Ca 0.72 0.89 -0.00 0.00 -2.93 0.00 0.00 61.98 60.66 1q56 s VAL 89 Cb -0.07 -3.44 0.03 0.00 -1.53 0.00 0.00 36.38 31.37 1q56 s VAL 89 CO 0.00 -0.57 -0.09 0.54 -3.33 0.00 0.00 175.10 171.65 1q56 s VAL 90 N -2.54 1.20 -0.80 2.04 0.11 -1.26 -2.52 120.40 116.63 1q56 s VAL 90 Ca 0.62 -0.43 0.02 0.00 -2.93 0.00 0.00 61.98 59.26 1q56 s VAL 90 Cb -0.15 -1.20 0.28 0.00 -1.53 0.00 0.00 36.38 33.77 1q56 s VAL 90 CO 0.38 0.36 1.04 0.18 -3.33 0.00 0.00 175.10 173.73 1q56 n LEU 91 N 4.88 4.81 -4.19 2.54 4.32 -1.03 -4.89 117.00 123.45 1q56 n LEU 91 Ca -0.14 -5.38 -0.27 0.00 -0.02 0.00 0.00 56.01 50.20 1q56 n LEU 91 Cb 0.50 -0.88 0.25 0.00 -1.62 0.00 0.00 43.42 41.66 1q56 n LEU 91 CO 0.18 1.95 0.25 0.54 -1.22 0.00 0.00 177.39 179.09 1q56 n ARG 92 N 0.92 -3.80 -2.80 3.23 1.74 -1.26 -2.90 116.66 111.79 1q56 n ARG 92 Ca 0.29 -1.12 -0.20 0.00 -0.77 0.00 0.00 57.85 56.05 1q56 n ARG 92 Cb 0.38 -1.82 0.03 0.00 -1.02 0.00 0.00 32.46 30.03 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 -2.65 5.45 -0.08 0.55 0.15 0.27 -4.46 113.70 112.93 1q56 s SER 93 Ca 0.58 -0.14 0.12 0.00 0.70 0.00 0.00 55.95 57.21 1q56 s SER 93 Cb -0.12 -0.84 0.18 0.00 -1.71 0.00 0.00 66.02 63.52 1q56 s SER 93 CO 0.51 -0.98 1.08 1.07 1.20 0.00 0.00 173.24 176.13 1q56 n THR 94 N -2.15 1.48 -4.10 6.45 5.66 -1.26 -4.85 114.28 115.51 1q56 n THR 94 Ca 0.07 -1.71 -0.07 0.00 -3.05 0.00 0.00 64.05 59.29 1q56 n THR 94 Cb 0.59 0.06 -0.10 0.00 -1.55 0.00 0.00 70.33 69.34 1q56 n THR 94 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1q56 s VAL 95 N -2.08 0.23 0.28 1.08 0.11 -1.26 -4.99 120.40 113.77 1q56 s VAL 95 Ca 0.19 -1.83 -0.29 0.00 -2.93 0.00 0.00 61.98 57.13 1q56 s VAL 95 Cb 0.17 -1.58 -0.10 0.00 -1.53 0.00 0.00 36.38 33.34 1q56 s VAL 95 CO 0.02 -0.94 1.24 -2.16 -3.33 0.00 0.00 175.10 169.93 1q56 s PRO 96 N -3.93 4.46 0.00 1.54 0.04 -1.26 -4.79 135.00 131.05 1q56 s PRO 96 Ca 0.09 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.17 1q56 s PRO 96 Cb 0.08 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.48 1q56 s PRO 96 CO -0.09 -0.08 0.00 1.51 0.04 0.00 0.00 177.00 178.39 1q56 n ILE 97 N 1.42 0.00 -0.84 0.56 0.13 -1.16 -4.77 119.36 114.70 1q56 n ILE 97 Ca 0.01 0.00 -0.22 0.00 -1.10 0.00 0.00 62.75 61.44 1q56 n ILE 97 Cb 0.43 -0.92 -0.04 0.00 -0.84 0.00 0.00 39.64 38.27 1q56 n ILE 97 CO 0.00 0.00 0.00 -0.46 2.80 0.00 0.00 176.55 178.89 1q56 n ASN 98 N -1.89 5.40 -0.61 9.51 0.23 -1.26 -4.19 115.26 122.46 1q56 n ASN 98 Ca 0.00 -2.33 0.09 0.00 -0.53 0.00 0.00 54.58 51.81 1q56 n ASN 98 Cb 0.46 -1.16 0.22 0.00 -2.08 0.00 0.00 39.78 37.22 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 3.68 2.13 -1.49 5.53 -1.04 -1.26 -4.86 114.28 116.96 1q56 n THR 99 Ca 0.48 -1.99 -0.07 0.00 -2.04 0.00 0.00 64.05 60.42 1q56 n THR 99 Cb 0.28 -0.23 -0.02 0.00 -1.82 0.00 0.00 70.33 68.53 1q56 n THR 99 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1q56 n ASN 100 N -0.81 -2.04 -4.48 8.00 6.94 -0.95 -4.89 115.26 117.04 1q56 n ASN 100 Ca 0.19 0.21 -0.31 0.00 -0.02 0.00 0.00 54.58 54.65 1q56 n ASN 100 Cb 0.80 -2.05 -0.12 0.00 -2.36 0.00 0.00 39.78 36.05 1q56 n ASN 100 CO 0.00 0.00 0.00 -1.00 -1.03 0.00 0.00 177.26 175.23 1q56 s HIS 101 N -1.77 2.61 -0.64 -2.53 3.76 -1.26 -4.87 115.29 110.59 1q56 s HIS 101 Ca 0.00 -0.22 -0.26 0.00 -0.15 0.00 0.00 55.06 54.43 1q56 s HIS 101 Cb 0.00 -1.49 -0.11 0.00 1.11 0.00 0.00 32.58 32.09 1q56 s HIS 101 CO 0.00 0.27 2.42 0.91 -0.85 0.00 0.00 174.74 177.49 1q56 n TRP 102 N 1.56 1.28 -3.04 1.40 5.03 -1.26 -4.48 117.44 117.93 1q56 n TRP 102 Ca -0.16 0.06 -0.22 0.00 3.03 0.00 0.00 57.50 60.20 1q56 n TRP 102 Cb 0.52 -2.60 0.01 0.00 -1.03 0.00 0.00 31.31 28.21 1q56 n TRP 102 CO 0.00 0.00 0.00 0.99 -0.03 0.00 0.00 177.69 178.65 1q56 s THR 103 N 13.31 3.97 0.08 -0.99 2.01 -0.97 -4.84 115.64 128.22 1q56 s THR 103 Ca 0.97 -0.56 0.08 0.00 0.31 0.00 0.00 61.69 62.49 1q56 s THR 103 Cb -0.18 -3.46 -0.04 0.00 0.01 0.00 0.00 72.50 68.84 1q56 s THR 103 CO 0.18 -0.30 -0.18 -2.28 -0.69 0.00 0.00 174.62 171.35 1q56 s HIS 104 N -2.51 2.54 0.06 4.92 2.46 -1.26 -1.77 115.29 119.73 1q56 s HIS 104 Ca 0.48 -0.26 0.03 0.00 0.47 0.00 0.00 55.06 55.77 1q56 s HIS 104 Cb -0.10 -1.40 -0.03 0.00 -0.13 0.00 0.00 32.58 30.92 1q56 s HIS 104 CO 0.37 0.32 -0.09 0.42 -2.47 0.00 0.00 174.74 173.29 1q56 s ILE 105 N -1.03 0.69 0.02 0.89 1.01 0.37 0.23 121.20 123.38 1q56 s ILE 105 Ca 0.16 -1.35 0.01 0.00 0.00 0.00 0.00 60.65 59.47 1q56 s ILE 105 Cb -0.11 -0.98 -0.01 0.00 0.01 0.00 0.00 42.46 41.37 1q56 s ILE 105 CO 0.08 -0.49 -0.04 -0.75 0.00 0.00 0.00 174.94 173.74 1q56 s LYS 106 N -2.21 0.30 -0.34 2.79 2.47 0.81 -2.91 119.74 120.64 1q56 s LYS 106 Ca -0.03 -0.44 0.01 0.00 -1.56 0.00 0.00 55.97 53.95 1q56 s LYS 106 Cb -0.06 -0.08 0.14 0.00 -1.46 0.00 0.00 37.83 36.38 1q56 s LYS 106 CO -0.00 0.01 0.28 0.00 0.16 0.00 0.00 175.35 175.79 1q56 s ALA 107 N -0.91 0.21 -0.34 3.13 0.00 -0.29 -0.69 121.76 122.87 1q56 s ALA 107 Ca -0.08 -1.26 -0.04 0.00 0.00 0.00 0.00 51.96 50.58 1q56 s ALA 107 Cb -0.07 -1.77 0.06 0.00 0.00 0.00 0.00 23.12 21.34 1q56 s ALA 107 CO -0.00 -2.03 0.09 1.52 0.00 0.00 0.00 175.76 175.34 1q56 s TYR 108 N 1.47 3.33 -0.15 0.00 1.13 -0.86 -1.53 117.35 120.74 1q56 s TYR 108 Ca 0.16 -1.82 -0.03 0.00 -1.41 0.00 0.00 57.07 53.97 1q56 s TYR 108 Cb -0.18 -2.46 -0.03 0.00 -1.10 0.00 0.00 41.96 38.20 1q56 s TYR 108 CO -0.09 -0.82 -0.05 0.50 -2.51 0.00 0.00 175.55 172.59 1q56 s ARG 109 N 1.29 3.58 -0.47 -3.49 3.52 -1.03 -1.94 118.95 120.41 1q56 s ARG 109 Ca -0.01 -0.54 -0.11 0.00 -0.13 0.00 0.00 55.73 54.94 1q56 s ARG 109 Cb -0.21 -2.86 0.10 0.00 -1.56 0.00 0.00 34.95 30.43 1q56 s ARG 109 CO -0.00 0.27 0.36 0.08 -0.81 0.00 0.00 175.30 175.20 1q56 s VAL 110 N 0.27 4.55 0.00 7.11 1.01 0.31 -0.85 120.40 132.80 1q56 s VAL 110 Ca -0.04 -1.52 0.00 0.00 0.00 0.00 0.00 61.98 60.42 1q56 s VAL 110 Cb -0.14 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.36 1q56 s VAL 110 CO 0.03 -0.69 0.00 0.00 0.00 0.00 0.00 175.10 174.44 1q56 n GLN 111 N 5.02 -1.10 0.00 2.72 10.64 0.23 -2.41 117.38 132.48 1q56 n GLN 111 Ca -0.10 1.05 0.00 0.00 -1.83 0.00 0.00 57.00 56.12 1q56 n GLN 111 Cb 0.42 -0.74 0.00 0.00 -0.86 0.00 0.00 30.24 29.06 1q56 n GLN 111 CO 0.00 0.00 0.00 2.89 -1.83 0.00 0.00 177.06 178.12 1q56 n ARG 112 N 2.39 0.00 -2.68 2.61 1.85 -1.26 -4.85 116.66 114.73 1q56 n ARG 112 Ca 0.00 0.00 -0.43 0.00 -1.00 0.00 0.00 57.85 56.42 1q56 n ARG 112 Cb 0.00 -0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.38 1q56 n ARG 112 CO 0.00 0.00 0.00 -2.00 -0.01 0.00 0.00 177.63 175.62 1q56 s GLU 113 N 0.00 3.78 0.24 2.89 2.12 -1.01 -1.69 118.70 125.03 1q56 s GLU 113 Ca 0.00 0.61 0.06 0.00 0.36 0.00 0.00 54.97 56.00 1q56 s GLU 113 Cb 0.00 -3.86 -0.03 0.00 0.26 0.00 0.00 34.13 30.50 1q56 s GLU 113 CO 0.00 -1.19 0.26 0.20 -0.54 0.00 0.00 175.26 173.99 1q56 s GLY 114 N 2.17 1.35 0.04 -1.50 0.00 0.14 0.11 107.32 109.64 1q56 s GLY 114 Ca 0.44 -1.33 0.01 0.00 0.00 0.00 0.00 44.72 43.85 1q56 s GLY 114 CO 0.25 -1.36 -0.06 -0.45 0.00 0.00 0.00 173.10 171.49 1q56 s SER 115 N -3.85 0.70 0.04 1.64 0.15 -0.82 -1.78 113.70 109.78 1q56 s SER 115 Ca 0.33 -0.62 0.01 0.00 0.70 0.00 0.00 55.95 56.36 1q56 s SER 115 Cb -0.08 0.07 -0.03 0.00 -1.71 0.00 0.00 66.02 64.27 1q56 s SER 115 CO 0.27 -0.29 -0.05 -0.22 1.20 0.00 0.00 173.24 174.15 1q56 s LEU 116 N -1.82 2.34 -0.29 3.45 1.98 -0.81 -2.04 118.68 121.49 1q56 s LEU 116 Ca -0.08 -0.69 -0.02 0.00 -2.89 0.00 0.00 54.13 50.44 1q56 s LEU 116 Cb -0.07 0.03 0.17 0.00 0.66 0.00 0.00 46.19 46.98 1q56 s LEU 116 CO -0.01 -0.36 0.56 -1.10 -1.89 0.00 0.00 176.35 173.55 1q56 s GLN 117 N -2.37 0.53 -0.69 1.98 -0.21 0.14 -1.74 119.66 117.29 1q56 s GLN 117 Ca -0.05 0.98 -0.26 0.00 0.02 0.00 0.00 55.36 56.04 1q56 s GLN 117 Cb -0.04 0.41 -0.02 0.00 1.00 0.00 0.00 33.01 34.36 1q56 s GLN 117 CO -0.03 -0.57 1.80 0.08 -2.12 0.00 0.00 175.29 174.44 1q56 s VAL 118 N 2.80 3.43 -1.01 1.09 1.01 -1.26 -0.13 120.40 126.33 1q56 s VAL 118 Ca 0.16 0.10 -0.05 0.00 0.00 0.00 0.00 61.98 62.19 1q56 s VAL 118 Cb -0.15 -4.10 0.01 0.00 0.00 0.00 0.00 36.38 32.14 1q56 s VAL 118 CO -0.20 -1.06 0.87 0.61 0.00 0.00 0.00 175.10 175.33 1q56 n GLY 119 N 5.90 -0.20 3.04 4.51 0.00 0.64 -2.51 105.19 116.57 1q56 n GLY 119 Ca 0.22 0.02 -0.21 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.20 -5.83 -0.98 1.61 4.13 -1.13 -5.00 115.26 105.86 1q56 n ASN 120 Ca -0.06 -0.33 0.00 0.00 1.68 0.00 0.00 54.58 55.87 1q56 n ASN 120 Cb 0.57 -4.60 0.00 0.00 -1.54 0.00 0.00 39.78 34.22 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 -3.99 2.10 -1.66 3.52 -0.58 -1.04 -4.93 120.64 114.05 1q56 n GLU 121 Ca -0.07 0.00 -0.63 0.00 -0.42 0.00 0.00 57.16 56.04 1q56 n GLU 121 Cb 0.60 0.00 -0.09 0.00 -0.57 0.00 0.00 31.44 31.37 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 -3.00 -0.64 -2.29 0.62 0.00 -1.26 -4.63 120.51 109.30 1q56 n ALA 122 Ca 0.00 0.39 -0.43 0.00 0.00 0.00 0.00 53.44 53.40 1q56 n ALA 122 Cb 0.00 -2.07 -0.02 0.00 0.00 0.00 0.00 19.45 17.35 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 3.75 3.88 -0.59 0.00 0.04 -1.26 -4.59 135.00 136.24 1q56 s PRO 123 Ca 1.05 1.44 -0.21 0.00 0.04 0.00 0.00 61.00 63.32 1q56 s PRO 123 Cb -1.33 -3.94 0.07 0.00 0.04 0.00 0.00 34.50 29.35 1q56 s PRO 123 CO 0.73 -1.17 0.81 0.42 0.04 0.00 0.00 177.00 177.82 1q56 s ILE 124 N 4.66 4.61 0.54 0.56 1.09 -0.71 -4.81 121.20 127.13 1q56 s ILE 124 Ca 0.62 -0.49 0.02 0.00 -1.10 0.00 0.00 60.65 59.70 1q56 s ILE 124 Cb -0.20 -4.52 0.01 0.00 -1.06 0.00 0.00 42.46 36.69 1q56 s ILE 124 CO 0.25 -1.16 0.13 0.42 -0.10 0.00 0.00 174.94 174.48 1q56 s THR 125 N 3.31 1.16 -2.64 2.92 -4.23 -1.26 -1.92 115.64 112.97 1q56 s THR 125 Ca 0.18 -1.85 0.00 0.00 -1.18 0.00 0.00 61.69 58.85 1q56 s THR 125 Cb -0.19 -2.01 0.00 0.00 1.34 0.00 0.00 72.50 71.64 1q56 s THR 125 CO 0.11 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.80 1q56 n GLY 126 N -1.47 -1.56 3.51 3.99 0.00 -0.74 -4.89 105.19 104.04 1q56 n GLY 126 Ca -0.16 -1.08 -0.11 0.00 0.00 0.00 0.00 46.02 44.68 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 -2.72 -0.50 0.28 1.61 0.01 -1.26 0.26 113.70 111.39 1q56 s SER 127 Ca 0.00 -0.12 0.09 0.00 1.31 0.00 0.00 55.95 57.23 1q56 s SER 127 Cb 0.00 0.61 -0.04 0.00 0.21 0.00 0.00 66.02 66.80 1q56 s SER 127 CO 0.00 -1.02 0.07 -0.44 0.41 0.00 0.00 173.24 172.26 1q56 s SER 128 N -2.77 4.77 -1.08 2.44 0.01 -0.68 -4.87 113.70 111.52 1q56 s SER 128 Ca 0.03 -0.60 -0.23 0.00 1.31 0.00 0.00 55.95 56.46 1q56 s SER 128 Cb -0.02 -0.92 -0.13 0.00 0.21 0.00 0.00 66.02 65.16 1q56 s SER 128 CO -0.09 -0.08 1.95 -0.81 0.41 0.00 0.00 173.24 174.61 1q56 n PRO 129 N -1.02 1.33 0.00 12.44 -0.04 -1.26 -4.73 135.00 141.72 1q56 n PRO 129 Ca -0.06 -2.23 0.00 0.00 -0.04 0.00 0.00 63.50 61.17 1q56 n PRO 129 Cb 0.59 -3.61 0.00 0.00 -0.04 0.00 0.00 33.50 30.44 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 14.08 0.00 0.00 1.53 4.77 -1.26 -4.93 117.00 131.20 1q56 n LEU 130 Ca 0.45 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 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 0.73 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.40 1q56 n GLY 131 N 0.00 0.05 0.00 -0.72 0.00 -1.26 -5.07 105.19 98.18 1q56 n GLY 131 Ca 0.00 0.64 0.00 0.00 0.00 0.00 0.00 46.02 46.66 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 -0.16 4.61 0.00 -1.26 -4.56 120.51 119.14 1q56 n ALA 132 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 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 -2.37 0.00 0.00 0.00 177.50 175.13 1q56 n THR 133 N 0.00 0.00 -2.00 0.00 5.66 -1.26 -4.52 114.28 112.16 1q56 n THR 133 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1q56 n THR 133 Cb 0.00 -0.02 0.00 0.00 -1.55 0.00 0.00 70.33 68.76 1q56 n THR 133 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 175.07 173.69 1q56 n GLN 134 N -0.52 -2.34 -0.81 1.09 0.00 -1.26 -4.70 117.38 108.85 1q56 n GLN 134 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 57.00 56.85 1q56 n GLN 134 Cb 0.03 -4.33 0.06 0.00 0.00 0.00 0.00 30.24 25.99 1q56 n GLN 134 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.06 178.53 1q56 n LEU 135 N -2.00 5.96 -4.23 1.69 -0.00 -1.26 -4.96 117.00 112.19 1q56 n LEU 135 Ca 0.00 -3.07 -0.31 0.00 -0.00 0.00 0.00 56.01 52.63 1q56 n LEU 135 Cb 0.33 -0.92 0.17 0.00 -0.00 0.00 0.00 43.42 43.00 1q56 n LEU 135 CO 0.00 1.08 -0.57 0.47 -0.00 0.00 0.00 177.39 178.37 1q56 n ASP 136 N 0.10 -2.50 -4.43 1.45 9.92 -1.26 -4.79 116.55 115.04 1q56 n ASP 136 Ca 0.31 -0.17 -0.33 0.00 -0.53 0.00 0.00 54.79 54.07 1q56 n ASP 136 Cb 0.75 -0.91 -0.13 0.00 -0.64 0.00 0.00 41.12 40.19 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 -2.20 3.22 -0.11 -3.53 -1.32 -1.26 -4.86 115.64 105.57 1q56 s THR 137 Ca 0.53 -0.62 0.01 0.00 -1.21 0.00 0.00 61.69 60.40 1q56 s THR 137 Cb -0.10 -2.33 0.16 0.00 -1.51 0.00 0.00 72.50 68.72 1q56 s THR 137 CO 0.63 0.54 1.23 -0.90 -2.21 0.00 0.00 174.62 173.91 1q56 n ASP 138 N 3.10 3.23 -1.69 8.08 5.75 -1.26 -4.78 116.55 128.97 1q56 n ASP 138 Ca -0.18 -2.38 -0.05 0.00 -0.01 0.00 0.00 54.79 52.17 1q56 n ASP 138 Cb 0.53 -0.59 -0.01 0.00 -1.03 0.00 0.00 41.12 40.01 1q56 n ASP 138 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1q56 n GLY 139 N 0.13 0.08 3.49 6.12 0.00 -1.26 -4.81 105.19 108.94 1q56 n GLY 139 Ca 0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 1q56 n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q56 s ALA 140 N -1.77 2.69 -0.03 4.61 0.00 -1.26 -1.25 121.76 124.76 1q56 s ALA 140 Ca 0.00 -1.44 -0.22 0.00 0.00 0.00 0.00 51.96 50.30 1q56 s ALA 140 Cb 0.00 -0.60 0.04 0.00 0.00 0.00 0.00 23.12 22.57 1q56 s ALA 140 CO 0.00 0.53 0.47 -1.17 0.00 0.00 0.00 175.76 175.60 1q56 s LEU 141 N -2.38 0.18 -0.15 0.00 2.96 -1.08 -4.53 118.68 113.67 1q56 s LEU 141 Ca 0.20 0.36 0.00 0.00 -0.22 0.00 0.00 54.13 54.47 1q56 s LEU 141 Cb -0.10 1.84 0.03 0.00 0.50 0.00 0.00 46.19 48.46 1q56 s LEU 141 CO 0.11 -0.52 -0.10 0.26 -1.32 0.00 0.00 176.35 174.77 1q56 s TRP 142 N -1.28 1.97 -0.14 5.38 0.52 -0.92 -0.74 118.94 123.72 1q56 s TRP 142 Ca -0.12 -1.15 0.00 0.00 0.02 0.00 0.00 56.10 54.85 1q56 s TRP 142 Cb -0.03 -1.47 0.02 0.00 -1.15 0.00 0.00 33.47 30.85 1q56 s TRP 142 CO 0.07 -0.64 -0.13 -1.17 0.02 0.00 0.00 176.95 175.10 1q56 s LEU 143 N 1.55 1.57 0.00 2.99 0.20 0.75 0.90 118.68 126.65 1q56 s LEU 143 Ca 0.03 -0.45 0.00 0.00 0.69 0.00 0.00 54.13 54.41 1q56 s LEU 143 Cb -0.14 -1.11 0.00 0.00 -0.43 0.00 0.00 46.19 44.52 1q56 s LEU 143 CO -0.09 -0.07 0.00 0.61 -0.29 0.00 0.00 176.35 176.51 1q56 n GLY 144 N 4.81 0.84 0.00 7.98 0.00 0.81 -2.92 105.19 116.70 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 0.46 3.55 -0.02 0.00 -0.93 -2.55 105.19 105.70 1q56 n GLY 145 Ca 0.00 -1.21 -0.07 0.00 0.00 0.00 0.00 46.02 44.74 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 -0.72 0.58 0.07 1.61 -1.94 -1.26 -4.69 119.30 112.96 1q56 s MET 146 Ca 0.00 -0.18 0.23 0.00 -1.71 0.00 0.00 55.69 54.03 1q56 s MET 146 Cb 0.00 0.27 0.14 0.00 2.01 0.00 0.00 34.83 37.25 1q56 s MET 146 CO 0.00 -0.25 1.11 -1.91 -0.01 0.00 0.00 175.02 173.97 1q56 n GLU 147 N -0.08 0.30 -2.75 2.03 2.13 -1.26 -4.28 120.64 116.73 1q56 n GLU 147 Ca -0.05 0.03 -0.10 0.00 0.66 0.00 0.00 57.16 57.69 1q56 n GLU 147 Cb 0.60 -1.63 0.04 0.00 0.27 0.00 0.00 31.44 30.72 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 -2.03 1.12 -0.27 5.31 -4.01 -1.26 -4.99 116.66 110.53 1q56 n ARG 148 Ca 0.02 -3.02 -0.03 0.00 -1.04 0.00 0.00 57.85 53.78 1q56 n ARG 148 Cb 0.44 -1.13 -0.04 0.00 -3.04 0.00 0.00 32.46 28.69 1q56 n ARG 148 CO 0.00 0.00 0.00 -0.11 -3.04 0.00 0.00 177.63 174.48 1q56 n LEU 149 N -0.07 1.44 0.25 2.89 7.94 -1.26 -3.95 117.00 124.23 1q56 n LEU 149 Ca 0.10 -1.20 0.15 0.00 -1.11 0.00 0.00 56.01 53.95 1q56 n LEU 149 Cb 0.80 -0.38 0.49 0.00 0.53 0.00 0.00 43.42 44.86 1q56 n LEU 149 CO 0.20 0.12 0.92 0.77 -1.11 0.00 0.00 177.39 178.29 1q56 h SER 150 N 5.03 0.00 0.00 1.96 4.64 -1.97 -3.38 113.55 119.83 1q56 h SER 150 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1q56 h SER 150 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1q56 h SER 150 CO 0.40 0.00 0.00 0.55 -0.87 0.00 0.00 176.83 176.91 1q56 n VAL 151 N -3.04 0.00 -1.44 0.95 3.14 -1.25 -4.69 118.33 112.00 1q56 n VAL 151 Ca 0.02 0.00 -0.14 0.00 -2.96 0.00 0.00 64.34 61.25 1q56 n VAL 151 Cb 0.38 -0.59 -0.06 0.00 -1.06 0.00 0.00 33.84 32.51 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 -0.23 0.00 1.55 0.00 -1.26 -4.59 120.51 112.98 1q56 n ALA 152 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1q56 n ALA 152 Cb 0.00 -1.51 0.00 0.00 0.00 0.00 0.00 19.45 17.94 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 -1.98 0.00 0.00 0.00 8.25 -1.26 -2.42 115.22 117.80 1q56 n HIS 153 Ca -0.15 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.31 1q56 n HIS 153 Cb 0.48 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.59 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 1.12 -1.79 -0.41 2.85 -1.26 -5.06 118.16 113.61 1q56 n LYS 154 Ca 0.00 0.00 -0.41 0.00 -1.05 0.00 0.00 58.31 56.85 1q56 n LYS 154 Cb 0.00 -0.63 -0.01 0.00 -0.65 0.00 0.00 35.03 33.74 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 -1.78 4.32 0.00 -5.58 0.05 -1.02 -4.98 118.68 109.70 1q56 s LEU 155 Ca 0.00 3.03 0.00 0.00 0.05 0.00 0.00 54.13 57.21 1q56 s LEU 155 Cb 0.00 -3.66 0.00 0.00 -2.05 0.00 0.00 46.19 40.48 1q56 s LEU 155 CO 0.00 -0.90 0.00 -0.81 -0.55 0.00 0.00 176.35 174.09 1q56 n PRO 156 N 1.00 0.00 -0.13 1.48 -0.04 -1.26 -4.53 135.00 131.51 1q56 n PRO 156 Ca 0.03 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.45 1q56 n PRO 156 Cb 0.39 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 33.89 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 0.24 -0.97 0.54 1.57 -1.93 -0.37 116.57 115.65 1q56 h LYS 157 Ca 0.00 -0.01 0.30 0.00 -1.87 0.00 0.00 60.65 59.07 1q56 h LYS 157 Cb 0.00 -0.06 -0.17 0.00 0.08 0.00 0.00 32.23 32.08 1q56 h LYS 157 CO 0.00 0.16 0.22 0.00 -0.57 0.00 0.00 179.45 179.26 1q56 h ALA 158 N 1.32 1.47 0.00 3.86 0.00 -1.86 2.66 119.26 126.71 1q56 h ALA 158 Ca 0.21 0.29 -0.14 0.00 0.00 0.00 0.00 54.91 55.27 1q56 h ALA 158 Cb 0.24 0.45 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1q56 h ALA 158 CO -0.25 -0.65 -0.93 1.88 0.00 0.00 0.00 179.25 179.30 1q56 h TYR 159 N 0.06 0.00 0.00 0.00 0.05 -1.72 0.15 116.97 115.51 1q56 h TYR 159 Ca 0.66 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.44 1q56 h TYR 159 Cb 1.48 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.22 1q56 h TYR 159 CO -0.31 0.57 0.00 0.45 -1.05 0.00 0.00 178.16 177.82 1q56 n SER 160 N -3.09 0.00 -3.54 3.88 2.88 0.75 -4.12 113.62 110.39 1q56 n SER 160 Ca -0.03 -0.45 -0.28 0.00 -1.33 0.00 0.00 58.87 56.78 1q56 n SER 160 Cb 0.79 -0.16 -0.11 0.00 -0.75 0.00 0.00 64.21 63.98 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 -2.33 0.91 1.01 2.46 2.01 0.59 -4.96 115.64 115.33 1q56 s THR 161 Ca 0.34 -2.79 -0.23 0.00 0.31 0.00 0.00 61.69 59.31 1q56 s THR 161 Cb 0.19 -1.63 -0.16 0.00 0.01 0.00 0.00 72.50 70.92 1q56 s THR 161 CO 0.38 -1.12 -1.16 0.61 -0.69 0.00 0.00 174.62 172.65 1q56 n GLY 162 N 2.95 -3.47 3.77 4.40 0.00 0.39 -3.74 105.19 109.48 1q56 n GLY 162 Ca 0.23 -0.40 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 1q56 n GLY 162 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1q56 s PHE 163 N -2.03 2.77 -0.59 1.61 5.36 -1.06 -4.11 117.98 119.94 1q56 s PHE 163 Ca 0.39 1.42 0.04 0.00 -0.96 0.00 0.00 56.93 57.83 1q56 s PHE 163 Cb -0.01 -3.64 0.15 0.00 -0.34 0.00 0.00 43.02 39.18 1q56 s PHE 163 CO 0.71 -2.09 0.37 0.42 -1.46 0.00 0.00 175.22 173.18 1q56 s ILE 164 N -1.31 2.49 0.00 3.12 1.01 -1.26 -1.13 121.20 124.12 1q56 s ILE 164 Ca 0.59 -3.64 0.00 0.00 0.00 0.00 0.00 60.65 57.60 1q56 s ILE 164 Cb -0.37 -2.68 0.00 0.00 0.01 0.00 0.00 42.46 39.42 1q56 s ILE 164 CO 0.47 -0.92 0.00 0.61 0.00 0.00 0.00 174.94 175.09 1q56 n GLY 165 N 2.63 1.81 3.16 6.18 0.00 -1.25 -2.80 105.19 114.92 1q56 n GLY 165 Ca 0.13 -0.55 -0.23 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.57 1.48 0.28 0.00 1.01 -1.10 0.27 121.20 122.57 1q56 s ILE 167 Ca 0.05 -1.26 -0.21 0.00 0.00 0.00 0.00 60.65 59.23 1q56 s ILE 167 Cb -0.07 -1.33 0.02 0.00 0.01 0.00 0.00 42.46 41.09 1q56 s ILE 167 CO 0.00 0.03 0.74 -0.60 0.00 0.00 0.00 174.94 175.11 1q56 s ARG 168 N -1.45 1.80 -0.91 2.79 3.52 -0.76 -3.26 118.95 120.69 1q56 s ARG 168 Ca 0.05 -1.02 -0.07 0.00 -0.13 0.00 0.00 55.73 54.56 1q56 s ARG 168 Cb -0.09 0.60 0.01 0.00 -1.56 0.00 0.00 34.95 33.91 1q56 s ARG 168 CO 0.02 -0.83 0.63 -0.25 -0.81 0.00 0.00 175.30 174.06 1q56 n ASP 169 N -0.55 -4.88 -4.09 -2.12 8.00 -1.26 -2.22 116.55 109.44 1q56 n ASP 169 Ca -0.04 -0.99 -0.29 0.00 0.71 0.00 0.00 54.79 54.18 1q56 n ASP 169 Cb 0.59 -1.90 -0.17 0.00 -0.02 0.00 0.00 41.12 39.62 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 -3.11 1.59 0.06 2.53 -7.23 -1.26 -3.49 120.40 109.50 1q56 s VAL 170 Ca 0.11 -0.71 0.03 0.00 -1.81 0.00 0.00 61.98 59.60 1q56 s VAL 170 Cb -0.06 -1.44 -0.03 0.00 0.56 0.00 0.00 36.38 35.42 1q56 s VAL 170 CO 0.90 0.46 -0.09 -0.63 -0.31 0.00 0.00 175.10 175.43 1q56 s ILE 171 N 0.85 0.70 -0.21 -0.62 1.09 0.42 -3.02 121.20 120.41 1q56 s ILE 171 Ca -0.09 -1.25 -0.03 0.00 -1.10 0.00 0.00 60.65 58.18 1q56 s ILE 171 Cb -0.15 -0.86 0.07 0.00 -1.06 0.00 0.00 42.46 40.45 1q56 s ILE 171 CO 0.00 -0.41 0.04 0.54 -0.10 0.00 0.00 174.94 175.02 1q56 s VAL 172 N -1.65 0.56 -0.80 2.92 0.11 -1.18 0.12 120.40 120.48 1q56 s VAL 172 Ca -0.05 -0.67 -0.01 0.00 -2.93 0.00 0.00 61.98 58.32 1q56 s VAL 172 Cb -0.08 -1.11 -0.01 0.00 -1.53 0.00 0.00 36.38 33.64 1q56 s VAL 172 CO 0.00 -0.28 0.75 0.47 -3.33 0.00 0.00 175.10 172.71 1q56 n ASP 173 N 5.03 -7.57 -1.89 3.54 9.92 -0.98 -1.92 116.55 122.67 1q56 n ASP 173 Ca -0.08 -0.20 0.00 0.00 -0.53 0.00 0.00 54.79 53.97 1q56 n ASP 173 Cb 0.46 -5.30 0.00 0.00 -0.64 0.00 0.00 41.12 35.65 1q56 n ASP 173 CO 0.00 0.00 0.00 -2.11 0.13 0.00 0.00 177.20 175.22 1q56 n ARG 174 N -2.07 -2.34 -3.08 -1.24 -4.01 -1.26 -4.83 116.66 97.82 1q56 n ARG 174 Ca -0.01 0.00 -0.42 0.00 -1.04 0.00 0.00 57.85 56.38 1q56 n ARG 174 Cb 0.53 -3.41 -0.06 0.00 -3.04 0.00 0.00 32.46 26.47 1q56 n ARG 174 CO 0.00 0.00 0.00 -0.65 -3.04 0.00 0.00 177.63 173.94 1q56 s GLN 175 N -3.58 3.79 -0.51 2.89 -0.21 -0.81 -5.01 119.66 116.22 1q56 s GLN 175 Ca 0.00 0.22 -0.28 0.00 0.02 0.00 0.00 55.36 55.31 1q56 s GLN 175 Cb 0.00 -3.77 0.02 0.00 1.00 0.00 0.00 33.01 30.26 1q56 s GLN 175 CO 0.00 -0.68 1.28 -2.00 -2.12 0.00 0.00 175.29 171.77 1q56 s GLU 176 N 2.73 3.53 -1.06 2.91 2.12 -1.26 -3.07 118.70 124.59 1q56 s GLU 176 Ca 0.26 0.52 -0.16 0.00 0.36 0.00 0.00 54.97 55.95 1q56 s GLU 176 Cb -0.14 -4.01 0.15 0.00 0.26 0.00 0.00 34.13 30.39 1q56 s GLU 176 CO 0.14 -1.64 1.26 -0.51 -0.54 0.00 0.00 175.26 173.97 1q56 s LEU 177 N 5.18 5.11 -0.17 2.70 1.43 -1.17 -4.98 118.68 126.79 1q56 s LEU 177 Ca 0.50 -2.53 -0.31 0.00 -1.03 0.00 0.00 54.13 50.76 1q56 s LEU 177 Cb -0.09 -2.39 -0.09 0.00 0.03 0.00 0.00 46.19 43.65 1q56 s LEU 177 CO 0.29 -0.89 2.09 1.41 0.23 0.00 0.00 176.35 179.47 1q56 n HIS 178 N 6.00 2.09 -0.27 0.29 8.25 -1.26 -4.74 115.22 125.57 1q56 n HIS 178 Ca 0.30 -0.07 0.01 0.00 -0.26 0.00 0.00 57.72 57.70 1q56 n HIS 178 Cb 0.46 -2.69 0.22 0.00 1.12 0.00 0.00 29.99 29.10 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 12.26 0.94 0.18 2.41 -0.00 -1.94 -3.10 115.31 126.07 1q56 h LEU 179 Ca -0.42 -0.02 -0.35 0.00 -0.00 0.00 0.00 57.88 57.09 1q56 h LEU 179 Cb 1.26 -0.22 0.01 0.00 -0.00 0.00 0.00 40.66 41.71 1q56 h LEU 179 CO 0.96 0.66 -1.73 0.58 -0.00 0.00 0.00 178.44 178.91 1q56 h VAL 180 N 1.09 0.96 -0.16 1.22 2.07 -1.90 -2.32 116.25 117.22 1q56 h VAL 180 Ca 0.33 -2.54 0.02 0.00 0.82 0.00 0.00 66.70 65.33 1q56 h VAL 180 Cb -0.04 2.77 -0.02 0.00 -1.52 0.00 0.00 31.29 32.48 1q56 h VAL 180 CO -0.09 0.85 0.01 -0.33 0.02 0.00 0.00 177.57 178.03 1q56 h GLU 181 N 0.11 0.06 0.00 1.57 5.08 -1.95 -2.80 114.58 116.65 1q56 h GLU 181 Ca -0.34 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 1q56 h GLU 181 Cb 2.10 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 31.34 1q56 h GLU 181 CO 0.18 0.04 -0.72 -0.44 -1.00 0.00 0.00 179.01 177.07 1q56 h ASP 182 N 0.06 0.00 -0.47 1.42 3.32 -1.72 -3.31 116.42 115.73 1q56 h ASP 182 Ca 0.07 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 1q56 h ASP 182 Cb 0.08 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 1q56 h ASP 182 CO -0.12 0.02 0.29 0.00 -1.72 0.00 0.00 179.24 177.71 1q56 h ALA 183 N 2.10 1.60 -0.25 3.45 0.00 -1.15 0.17 119.26 125.17 1q56 h ALA 183 Ca 0.00 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 54.92 1q56 h ALA 183 Cb 0.95 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1q56 h ALA 183 CO 0.00 0.35 0.51 -0.07 0.00 0.00 0.00 179.25 180.04 1q56 h LEU 184 N 0.66 0.00 -1.76 0.00 3.38 -1.60 0.28 115.31 116.26 1q56 h LEU 184 Ca 0.17 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.21 1q56 h LEU 184 Cb -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1q56 h LEU 184 CO -0.03 0.00 0.49 -1.13 0.09 0.00 0.00 178.44 177.85 1q56 h ASN 185 N 0.00 0.00 -2.51 -0.43 -0.00 -1.19 -3.39 115.58 108.06 1q56 h ASN 185 Ca 0.12 0.00 -0.52 0.00 -0.00 0.00 0.00 56.30 55.90 1q56 h ASN 185 Cb 1.15 0.00 -0.02 0.00 -0.00 0.00 0.00 38.32 39.45 1q56 h ASN 185 CO -0.00 0.00 -0.44 0.21 -0.00 0.00 0.00 177.43 177.20 1q56 s ASN 186 N -4.56 6.34 0.02 1.15 3.84 0.97 -5.04 114.94 117.66 1q56 s ASN 186 Ca -0.03 0.18 -0.27 0.00 0.21 0.00 0.00 52.86 52.95 1q56 s ASN 186 Cb 0.11 -1.91 -0.16 0.00 -0.55 0.00 0.00 41.25 38.73 1q56 s ASN 186 CO 0.36 0.01 1.28 1.55 -2.79 0.00 0.00 177.10 177.51 1q56 h PRO 187 N 1.88 -0.63 -5.97 0.43 0.13 -1.85 -3.44 132.00 122.54 1q56 h PRO 187 Ca -0.49 0.04 -0.65 0.00 -0.87 0.00 0.00 66.00 64.03 1q56 h PRO 187 Cb 1.20 0.14 -0.08 0.00 0.13 0.00 0.00 31.00 32.40 1q56 h PRO 187 CO 0.67 -0.33 -0.55 -0.08 -0.23 0.00 0.00 178.00 177.47 1q56 s THR 188 N -4.95 4.93 -0.03 1.56 -1.32 -1.26 -5.05 115.64 109.51 1q56 s THR 188 Ca -0.15 -0.39 -0.01 0.00 -1.21 0.00 0.00 61.69 59.93 1q56 s THR 188 Cb 0.02 -3.29 0.03 0.00 -1.51 0.00 0.00 72.50 67.75 1q56 s THR 188 CO 0.52 0.30 0.05 -0.63 -2.21 0.00 0.00 174.62 172.65 1q56 s ILE 189 N -1.27 -0.09 0.25 5.08 1.09 -1.26 -5.01 121.20 119.99 1q56 s ILE 189 Ca 0.26 0.34 0.08 0.00 -1.10 0.00 0.00 60.65 60.23 1q56 s ILE 189 Cb -0.12 -0.12 -0.04 0.00 -1.06 0.00 0.00 42.46 41.12 1q56 s ILE 189 CO 0.17 0.14 0.09 -0.76 -0.10 0.00 0.00 174.94 174.48 1q56 s LEU 190 N 1.70 3.49 0.00 2.97 1.43 -1.26 -5.06 118.68 121.95 1q56 s LEU 190 Ca -0.01 -0.44 0.00 0.00 -1.03 0.00 0.00 54.13 52.65 1q56 s LEU 190 Cb -0.12 -2.03 0.00 0.00 0.03 0.00 0.00 46.19 44.07 1q56 s LEU 190 CO -0.03 -0.01 0.00 1.41 0.23 0.00 0.00 176.35 177.95 1q56 n HIS 191 N -0.93 0.00 -3.54 0.29 8.25 -1.26 -2.40 115.22 115.64 1q56 n HIS 191 Ca -0.07 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.31 1q56 n HIS 191 Cb 0.58 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.67 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 -2.20 2.39 -0.31 0.00 0.01 -1.26 -5.02 113.70 107.31 1q56 s SER 193 Ca 0.05 -0.88 -0.03 0.00 1.31 0.00 0.00 55.95 56.41 1q56 s SER 193 Cb -0.01 -0.12 0.19 0.00 0.21 0.00 0.00 66.02 66.29 1q56 s SER 193 CO -0.06 -0.11 0.84 0.00 0.41 0.00 0.00 173.24 174.32 1q56 s ALA 194 N -2.29 -3.33 0.00 1.44 0.00 -1.26 -5.16 121.76 111.16 1q56 s ALA 194 Ca 0.15 1.14 0.00 0.00 0.00 0.00 0.00 51.96 53.24 1q56 s ALA 194 Cb -0.04 -2.74 0.00 0.00 0.00 0.00 0.00 23.12 20.34 1q56 s ALA 194 CO 0.05 -2.05 0.00 0.36 0.00 0.00 0.00 175.76 174.12