#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q56 s SER 2 N 0.00 3.22 -1.04 1.61 0.01 -1.26 -5.03 113.70 111.20 1q56 s SER 2 Ca 0.00 -2.09 -0.15 0.00 1.31 0.00 0.00 55.95 55.02 1q56 s SER 2 Cb 0.00 -0.51 -0.08 0.00 0.21 0.00 0.00 66.02 65.64 1q56 s SER 2 CO 0.00 -0.33 2.15 -1.84 0.41 0.00 0.00 173.24 173.63 1q56 n GLU 3 N 4.19 2.17 -2.23 12.44 0.28 -1.26 -4.18 120.64 132.05 1q56 n GLU 3 Ca 0.08 -1.94 -0.00 0.00 -0.16 0.00 0.00 57.16 55.14 1q56 n GLU 3 Cb 0.38 -2.86 0.04 0.00 1.43 0.00 0.00 31.44 30.42 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 5.73 0.99 -3.87 3.44 2.85 -1.26 -5.06 118.16 120.98 1q56 n LYS 4 Ca 0.52 -2.41 -0.29 0.00 -1.05 0.00 0.00 58.31 55.08 1q56 n LYS 4 Cb 0.31 -0.57 -0.16 0.00 -0.65 0.00 0.00 35.03 33.96 1q56 n LYS 4 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1q56 s VAL 5 N -1.64 1.13 -0.01 0.58 0.11 -1.26 -5.11 120.40 114.20 1q56 s VAL 5 Ca 0.23 -0.84 0.02 0.00 -2.93 0.00 0.00 61.98 58.46 1q56 s VAL 5 Cb 0.33 -1.42 0.00 0.00 -1.53 0.00 0.00 36.38 33.76 1q56 s VAL 5 CO -0.09 -0.04 -0.05 -0.51 -3.33 0.00 0.00 175.10 171.08 1q56 s ILE 6 N 1.60 0.46 0.13 7.04 2.07 -1.26 -5.15 121.20 126.08 1q56 s ILE 6 Ca -0.02 -0.21 0.06 0.00 -1.41 0.00 0.00 60.65 59.07 1q56 s ILE 6 Cb -0.17 -0.41 -0.04 0.00 0.13 0.00 0.00 42.46 41.97 1q56 s ILE 6 CO -0.07 0.15 -0.14 -0.51 -1.91 0.00 0.00 174.94 172.45 1q56 s ILE 7 N 0.12 1.38 -0.25 2.00 1.10 -1.26 -5.12 121.20 119.17 1q56 s ILE 7 Ca -0.01 -1.74 -0.17 0.00 -0.51 0.00 0.00 60.65 58.21 1q56 s ILE 7 Cb -0.05 -1.57 -0.03 0.00 0.15 0.00 0.00 42.46 40.96 1q56 s ILE 7 CO -0.00 -0.41 0.48 -0.70 -2.11 0.00 0.00 174.94 172.20 1q56 s GLU 8 N -2.70 4.09 -0.79 3.50 2.12 -1.26 -4.96 118.70 118.70 1q56 s GLU 8 Ca 0.10 0.28 -0.26 0.00 0.36 0.00 0.00 54.97 55.45 1q56 s GLU 8 Cb -0.05 -3.62 -0.17 0.00 0.26 0.00 0.00 34.13 30.55 1q56 s GLU 8 CO 0.03 -0.27 2.51 1.63 -0.54 0.00 0.00 175.26 178.62 1q56 n LYS 9 N 5.26 0.45 -2.08 4.30 4.76 -1.26 -4.85 118.16 124.74 1q56 n LYS 9 Ca -0.05 -0.09 -0.41 0.00 -2.87 0.00 0.00 58.31 54.89 1q56 n LYS 9 Cb 0.50 -2.41 -0.02 0.00 -1.84 0.00 0.00 35.03 31.26 1q56 n LYS 9 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1q56 s ALA 10 N 9.85 3.51 -0.86 7.82 0.00 -1.26 -4.88 121.76 135.93 1q56 s ALA 10 Ca 1.17 1.29 -0.07 0.00 0.00 0.00 0.00 51.96 54.35 1q56 s ALA 10 Cb -0.69 -3.49 -0.11 0.00 0.00 0.00 0.00 23.12 18.83 1q56 s ALA 10 CO 0.37 -0.68 3.11 0.00 0.00 0.00 0.00 175.76 178.56 1q56 n ALA 11 N 0.79 6.92 -2.96 0.00 0.00 -1.26 -4.86 120.51 119.13 1q56 n ALA 11 Ca 0.00 -2.93 -0.44 0.00 0.00 0.00 0.00 53.44 50.07 1q56 n ALA 11 Cb 0.41 -2.77 -0.04 0.00 0.00 0.00 0.00 19.45 17.05 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 1.66 1.57 0.00 0.00 0.00 -1.26 -4.78 107.32 104.52 1q56 s GLY 12 Ca 0.66 -2.00 0.00 0.00 0.00 0.00 0.00 44.72 43.38 1q56 s GLY 12 CO -0.06 1.82 0.00 1.34 0.00 0.00 0.00 173.10 176.19 1q56 n ASP 13 N 7.00 0.00 -3.76 1.64 -0.08 -1.26 -5.04 116.55 115.06 1q56 n ASP 13 Ca -0.06 0.00 -0.23 0.00 -1.51 0.00 0.00 54.79 52.99 1q56 n ASP 13 Cb 0.44 0.00 0.02 0.00 2.34 0.00 0.00 41.12 43.92 1q56 n ASP 13 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1q56 n ALA 14 N -1.31 -2.04 -0.74 -1.67 0.00 -1.26 -4.71 120.51 108.78 1q56 n ALA 14 Ca 0.00 -0.20 -0.38 0.00 0.00 0.00 0.00 53.44 52.87 1q56 n ALA 14 Cb 0.00 -1.95 -0.12 0.00 0.00 0.00 0.00 19.45 17.38 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 -4.29 0.02 -1.35 0.00 0.28 -1.26 -4.89 120.64 109.15 1q56 n GLU 15 Ca -0.29 -1.14 -0.32 0.00 -0.16 0.00 0.00 57.16 55.25 1q56 n GLU 15 Cb 0.68 -2.80 0.09 0.00 1.43 0.00 0.00 31.44 30.84 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 9.21 2.22 -0.20 -1.84 0.00 -1.26 -4.91 121.76 124.99 1q56 s ALA 16 Ca 0.71 0.42 -0.04 0.00 0.00 0.00 0.00 51.96 53.05 1q56 s ALA 16 Cb 0.11 -3.32 0.06 0.00 0.00 0.00 0.00 23.12 19.97 1q56 s ALA 16 CO 0.31 -1.74 0.07 0.42 0.00 0.00 0.00 175.76 174.82 1q56 s ILE 17 N -2.66 0.26 0.21 0.00 -1.09 -1.16 -4.06 121.20 112.70 1q56 s ILE 17 Ca 0.64 -0.45 -0.30 0.00 -2.23 0.00 0.00 60.65 58.31 1q56 s ILE 17 Cb -0.19 -0.88 -0.08 0.00 -1.58 0.00 0.00 42.46 39.73 1q56 s ILE 17 CO 0.51 -0.29 0.98 0.00 -1.23 0.00 0.00 174.94 174.92 1q56 s ALA 18 N 1.97 3.33 0.51 9.38 0.00 -1.21 -2.51 121.76 133.23 1q56 s ALA 18 Ca 0.01 0.67 0.08 0.00 0.00 0.00 0.00 51.96 52.72 1q56 s ALA 18 Cb -0.17 -3.25 0.04 0.00 0.00 0.00 0.00 23.12 19.74 1q56 s ALA 18 CO -0.11 0.07 0.56 -0.06 0.00 0.00 0.00 175.76 176.22 1q56 s PHE 19 N -0.83 1.97 0.00 0.00 0.40 0.50 -4.07 117.98 115.95 1q56 s PHE 19 Ca 0.44 -0.66 0.00 0.00 -0.60 0.00 0.00 56.93 56.11 1q56 s PHE 19 Cb -0.27 -2.15 0.00 0.00 0.51 0.00 0.00 43.02 41.12 1q56 s PHE 19 CO 0.33 -0.63 0.00 -0.40 0.70 0.00 0.00 175.22 175.22 1q56 n ASP 20 N -1.90 1.29 0.00 1.36 5.68 -1.20 -4.01 116.55 117.78 1q56 n ASP 20 Ca 0.07 -0.16 0.00 0.00 -0.50 0.00 0.00 54.79 54.20 1q56 n ASP 20 Cb 0.62 0.58 0.00 0.00 -1.14 0.00 0.00 41.12 41.18 1q56 n ASP 20 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1q56 n GLY 21 N 0.97 1.68 0.17 6.12 0.00 0.65 -4.70 105.19 110.07 1q56 n GLY 21 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.45 0.86 -1.57 1.61 0.63 -1.26 0.67 116.66 117.14 1q56 n ARG 22 Ca 0.00 -1.28 -0.29 0.00 -0.92 0.00 0.00 57.85 55.36 1q56 n ARG 22 Cb 0.00 -0.81 0.18 0.00 0.45 0.00 0.00 32.46 32.28 1q56 n ARG 22 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 1q56 s THR 23 N -0.79 1.90 -0.26 5.15 2.01 -1.26 -5.02 115.64 117.36 1q56 s THR 23 Ca 0.07 0.00 -0.01 0.00 0.31 0.00 0.00 61.69 62.05 1q56 s THR 23 Cb 0.06 -2.78 0.13 0.00 0.01 0.00 0.00 72.50 69.91 1q56 s THR 23 CO 0.01 0.00 0.30 -0.47 -0.69 0.00 0.00 174.62 173.76 1q56 s TYR 24 N -3.43 -0.51 -0.53 4.92 6.14 -1.26 -4.23 117.35 118.45 1q56 s TYR 24 Ca 0.69 0.09 -0.16 0.00 0.64 0.00 0.00 57.07 58.32 1q56 s TYR 24 Cb -0.10 -0.35 0.11 0.00 0.42 0.00 0.00 41.96 42.04 1q56 s TYR 24 CO 0.54 -0.83 0.50 1.41 0.64 0.00 0.00 175.55 177.80 1q56 s MET 25 N 2.39 3.00 -0.08 4.97 1.75 -0.87 -4.27 119.30 126.18 1q56 s MET 25 Ca 0.09 -1.56 -0.13 0.00 -1.25 0.00 0.00 55.69 52.85 1q56 s MET 25 Cb -0.14 -4.25 -0.05 0.00 2.84 0.00 0.00 34.83 33.23 1q56 s MET 25 CO -0.26 -1.27 0.31 -1.21 -0.65 0.00 0.00 175.02 171.94 1q56 s GLU 26 N 1.74 3.91 -0.32 4.11 2.02 -1.25 0.71 118.70 129.61 1q56 s GLU 26 Ca 0.04 0.18 -0.00 0.00 0.02 0.00 0.00 54.97 55.21 1q56 s GLU 26 Cb -0.28 -3.28 0.10 0.00 0.10 0.00 0.00 34.13 30.78 1q56 s GLU 26 CO 0.05 0.56 0.11 0.71 0.02 0.00 0.00 175.26 176.71 1q56 s TYR 27 N -0.55 1.82 -0.29 1.61 2.02 0.21 -4.23 117.35 117.94 1q56 s TYR 27 Ca 0.19 -1.85 -0.11 0.00 -0.37 0.00 0.00 57.07 54.93 1q56 s TYR 27 Cb -0.14 -1.78 -0.04 0.00 -0.40 0.00 0.00 41.96 39.60 1q56 s TYR 27 CO 0.08 -0.87 0.18 -1.58 -1.57 0.00 0.00 175.55 171.78 1q56 s HIS 28 N 1.47 3.20 0.04 2.71 2.46 -1.26 -1.48 115.29 122.43 1q56 s HIS 28 Ca 0.11 -0.10 -0.01 0.00 0.47 0.00 0.00 55.06 55.52 1q56 s HIS 28 Cb -0.18 -2.37 -0.03 0.00 -0.13 0.00 0.00 32.58 29.87 1q56 s HIS 28 CO -0.22 -0.26 -0.02 1.21 -2.47 0.00 0.00 174.74 172.98 1q56 s ASN 29 N 1.71 0.39 0.07 9.88 3.84 0.39 -4.96 114.94 126.26 1q56 s ASN 29 Ca 0.06 -0.81 -0.02 0.00 0.21 0.00 0.00 52.86 52.30 1q56 s ASN 29 Cb -0.16 0.18 -0.04 0.00 -0.55 0.00 0.00 41.25 40.67 1q56 s ASN 29 CO 0.09 -0.51 0.25 0.00 -2.79 0.00 0.00 177.10 174.15 1q56 s ALA 30 N -3.11 3.94 0.00 1.71 0.00 -1.26 -3.82 121.76 119.21 1q56 s ALA 30 Ca -0.01 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.21 1q56 s ALA 30 Cb 0.02 -1.93 0.00 0.00 0.00 0.00 0.00 23.12 21.21 1q56 s ALA 30 CO -0.07 0.77 0.00 1.33 0.00 0.00 0.00 175.76 177.79 1q56 n VAL 31 N 0.38 0.00 -3.48 0.00 0.24 -1.26 -4.99 118.33 109.21 1q56 n VAL 31 Ca -0.05 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 62.05 1q56 n VAL 31 Cb 0.51 -0.09 -0.13 0.00 -1.47 0.00 0.00 33.84 32.66 1q56 n VAL 31 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1q56 s THR 32 N 0.58 -0.31 -0.87 3.34 2.01 -1.26 -5.07 115.64 114.07 1q56 s THR 32 Ca 0.00 -0.25 -0.25 0.00 0.31 0.00 0.00 61.69 61.50 1q56 s THR 32 Cb 0.00 -0.76 -0.09 0.00 0.01 0.00 0.00 72.50 71.66 1q56 s THR 32 CO 0.00 -0.31 2.13 -0.75 -0.69 0.00 0.00 174.62 175.00 1q56 s LYS 33 N 2.30 2.16 0.00 4.92 2.47 -1.26 -3.29 119.74 127.04 1q56 s LYS 33 Ca 0.07 -0.01 0.00 0.00 -1.56 0.00 0.00 55.97 54.48 1q56 s LYS 33 Cb -0.15 -4.96 0.00 0.00 -1.46 0.00 0.00 37.83 31.26 1q56 s LYS 33 CO -0.18 -3.84 0.00 0.45 0.16 0.00 0.00 175.35 171.94 1q56 n SER 34 N 15.91 0.00 0.00 1.43 2.88 -1.26 -5.00 113.62 127.59 1q56 n SER 34 Ca 0.43 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.97 1q56 n SER 34 Cb 0.45 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.91 1q56 n SER 34 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1q56 n GLU 35 N -0.46 0.00 -4.08 -1.46 0.28 -1.21 -5.05 120.64 108.67 1q56 n GLU 35 Ca 0.00 0.00 -0.34 0.00 -0.16 0.00 0.00 57.16 56.66 1q56 n GLU 35 Cb 0.00 -0.29 -0.03 0.00 1.43 0.00 0.00 31.44 32.55 1q56 n GLU 35 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1q56 n LYS 36 N -1.11 -1.33 0.00 3.44 5.02 -1.21 -4.90 118.16 118.06 1q56 n LYS 36 Ca 0.00 0.21 0.00 0.00 -2.02 0.00 0.00 58.31 56.50 1q56 n LYS 36 Cb 0.00 -3.57 0.00 0.00 -0.02 0.00 0.00 35.03 31.44 1q56 n LYS 36 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1q56 n ALA 37 N -4.63 0.00 -2.85 7.82 0.00 -1.26 -3.39 120.51 116.20 1q56 n ALA 37 Ca -0.23 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.07 1q56 n ALA 37 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.10 1q56 n ALA 37 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1q56 n LEU 38 N 0.00 1.46 0.00 0.00 -0.00 -1.26 -4.94 117.00 112.25 1q56 n LEU 38 Ca 0.00 -4.31 0.00 0.00 -0.00 0.00 0.00 56.01 51.70 1q56 n LEU 38 Cb 0.00 0.47 0.00 0.00 -0.00 0.00 0.00 43.42 43.89 1q56 n LEU 38 CO 0.00 1.88 0.00 0.00 -0.00 0.00 0.00 177.39 179.27 1q56 n GLN 39 N 0.04 -0.76 -3.66 1.47 10.64 -1.26 -4.80 117.38 119.04 1q56 n GLN 39 Ca 0.17 0.14 -0.02 0.00 -1.83 0.00 0.00 57.00 55.46 1q56 n GLN 39 Cb 0.74 -3.86 -0.01 0.00 -0.86 0.00 0.00 30.24 26.25 1q56 n GLN 39 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.06 173.69 1q56 s SER 40 N -1.47 -0.15 -0.10 2.61 1.04 -1.26 -2.51 113.70 111.87 1q56 s SER 40 Ca 0.00 -0.21 -0.03 0.00 0.48 0.00 0.00 55.95 56.19 1q56 s SER 40 Cb 0.00 0.31 0.04 0.00 0.10 0.00 0.00 66.02 66.48 1q56 s SER 40 CO 0.00 -0.57 0.06 0.21 0.98 0.00 0.00 173.24 173.92 1q56 s ASN 41 N -2.83 1.74 0.13 7.02 2.47 -1.06 -4.93 114.94 117.47 1q56 s ASN 41 Ca 0.12 -0.24 -0.16 0.00 0.42 0.00 0.00 52.86 53.00 1q56 s ASN 41 Cb 0.01 -0.26 -0.07 0.00 -1.45 0.00 0.00 41.25 39.48 1q56 s ASN 41 CO -0.02 -0.28 0.56 -1.00 -3.72 0.00 0.00 177.10 172.64 1q56 s HIS 42 N 2.10 3.66 -0.21 0.43 3.76 -1.26 -2.25 115.29 121.51 1q56 s HIS 42 Ca 0.04 1.12 -0.04 0.00 -0.15 0.00 0.00 55.06 56.03 1q56 s HIS 42 Cb -0.14 -2.41 0.07 0.00 1.11 0.00 0.00 32.58 31.22 1q56 s HIS 42 CO -0.06 0.47 0.09 -0.06 -0.85 0.00 0.00 174.74 174.33 1q56 s PHE 43 N -1.38 0.52 0.05 1.40 0.08 -0.37 -2.24 117.98 116.04 1q56 s PHE 43 Ca 0.36 -0.68 0.06 0.00 0.12 0.00 0.00 56.93 56.79 1q56 s PHE 43 Cb -0.16 -0.89 -0.03 0.00 -0.57 0.00 0.00 43.02 41.36 1q56 s PHE 43 CO 0.19 -0.64 -0.15 -1.21 -0.10 0.00 0.00 175.22 173.31 1q56 s GLU 44 N 2.03 2.15 -0.29 0.44 2.02 0.29 -1.75 118.70 123.59 1q56 s GLU 44 Ca 0.04 -0.95 -0.32 0.00 0.02 0.00 0.00 54.97 53.76 1q56 s GLU 44 Cb -0.16 -2.26 0.19 0.00 0.10 0.00 0.00 34.13 32.00 1q56 s GLU 44 CO -0.17 0.54 1.38 -0.48 0.02 0.00 0.00 175.26 176.56 1q56 s LEU 45 N -1.57 -0.02 0.17 1.80 2.34 -1.16 0.33 118.68 120.57 1q56 s LEU 45 Ca 0.16 0.01 0.11 0.00 0.06 0.00 0.00 54.13 54.47 1q56 s LEU 45 Cb -0.11 1.04 -0.04 0.00 -0.56 0.00 0.00 46.19 46.52 1q56 s LEU 45 CO 0.07 -0.02 -0.21 -0.44 -1.06 0.00 0.00 176.35 174.69 1q56 s SER 46 N -1.27 3.61 0.07 1.48 0.01 -0.95 -1.03 113.70 115.62 1q56 s SER 46 Ca 0.10 -0.75 -0.11 0.00 1.31 0.00 0.00 55.95 56.50 1q56 s SER 46 Cb -0.01 -0.37 0.01 0.00 0.21 0.00 0.00 66.02 65.86 1q56 s SER 46 CO -0.07 0.14 0.24 0.27 0.41 0.00 0.00 173.24 174.23 1q56 s ILE 47 N -1.47 0.12 -0.75 1.44 -4.36 -1.06 -1.41 121.20 113.70 1q56 s ILE 47 Ca 0.20 -0.95 -0.01 0.00 -0.26 0.00 0.00 60.65 59.63 1q56 s ILE 47 Cb -0.09 -1.15 0.19 0.00 1.25 0.00 0.00 42.46 42.66 1q56 s ILE 47 CO 0.10 -0.52 0.59 -0.75 0.24 0.00 0.00 174.94 174.60 1q56 s LYS 48 N -3.34 2.84 0.50 0.37 2.20 0.68 -2.36 119.74 120.64 1q56 s LYS 48 Ca 0.01 -3.00 -0.22 0.00 -0.36 0.00 0.00 55.97 52.40 1q56 s LYS 48 Cb 0.02 -3.77 -0.06 0.00 -1.51 0.00 0.00 37.83 32.51 1q56 s LYS 48 CO -0.08 -1.23 1.21 0.95 -0.36 0.00 0.00 175.35 175.83 1q56 s THR 49 N -0.87 2.84 0.00 3.43 -4.23 -1.25 -1.59 115.64 113.96 1q56 s THR 49 Ca 0.23 0.60 0.00 0.00 -1.18 0.00 0.00 61.69 61.34 1q56 s THR 49 Cb -0.12 -3.29 0.00 0.00 1.34 0.00 0.00 72.50 70.42 1q56 s THR 49 CO -0.09 -0.03 0.61 -0.62 -0.54 0.00 0.00 174.62 173.94 1q56 n GLU 50 N -0.83 0.91 0.00 3.99 -0.58 -0.72 -1.90 120.64 121.51 1q56 n GLU 50 Ca 0.09 -0.79 0.00 0.00 -0.42 0.00 0.00 57.16 56.05 1q56 n GLU 50 Cb 0.48 -0.77 0.00 0.00 -0.57 0.00 0.00 31.44 30.58 1q56 n GLU 50 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1q56 n ALA 51 N -0.18 1.40 0.00 0.62 0.00 -1.26 -5.02 120.51 116.07 1q56 n ALA 51 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1q56 n ALA 51 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.74 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 -0.40 0.00 -4.95 0.00 -2.24 -1.26 -4.74 114.28 100.68 1q56 n THR 52 Ca 0.00 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.51 1q56 n THR 52 Cb 0.00 0.00 -0.16 0.00 -2.10 0.00 0.00 70.33 68.07 1q56 n THR 52 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1q56 s GLN 53 N 0.00 1.66 0.00 -0.78 0.74 -1.26 -1.64 119.66 118.38 1q56 s GLN 53 Ca 0.00 -0.70 0.00 0.00 0.05 0.00 0.00 55.36 54.71 1q56 s GLN 53 Cb 0.00 -1.57 0.00 0.00 1.10 0.00 0.00 33.01 32.54 1q56 s GLN 53 CO 0.00 0.39 0.00 0.41 -0.55 0.00 0.00 175.29 175.54 1q56 n GLY 54 N 2.70 3.74 3.65 2.59 0.00 -0.72 -4.80 105.19 112.35 1q56 n GLY 54 Ca -0.16 -0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.28 1q56 n GLY 54 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1q56 s LEU 55 N 0.00 4.12 -0.13 0.99 2.96 -0.07 0.19 118.68 126.73 1q56 s LEU 55 Ca 0.00 1.05 0.17 0.00 -0.22 0.00 0.00 54.13 55.13 1q56 s LEU 55 Cb 0.00 -3.16 -0.24 0.00 0.50 0.00 0.00 46.19 43.28 1q56 s LEU 55 CO 0.00 -0.45 0.30 -0.38 -1.32 0.00 0.00 176.35 174.50 1q56 n ILE 56 N 5.03 1.37 -3.81 6.68 5.41 0.74 -2.17 119.36 132.61 1q56 n ILE 56 Ca 0.04 -0.81 -0.11 0.00 1.00 0.00 0.00 62.75 62.86 1q56 n ILE 56 Cb 0.48 -0.62 -0.08 0.00 -0.71 0.00 0.00 39.64 38.71 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 -5.63 1.17 -0.30 1.39 0.20 0.40 0.27 118.68 116.19 1q56 s LEU 57 Ca -0.08 -0.20 -0.02 0.00 0.69 0.00 0.00 54.13 54.53 1q56 s LEU 57 Cb 0.07 1.07 0.19 0.00 -0.43 0.00 0.00 46.19 47.09 1q56 s LEU 57 CO 0.83 -0.51 0.68 0.86 -0.29 0.00 0.00 176.35 177.92 1q56 s TRP 58 N -2.08 -1.46 0.12 5.38 -0.11 0.17 0.20 118.94 121.16 1q56 s TRP 58 Ca -0.09 1.35 0.11 0.00 1.22 0.00 0.00 56.10 58.69 1q56 s TRP 58 Cb -0.03 0.44 -0.04 0.00 -1.50 0.00 0.00 33.47 32.34 1q56 s TRP 58 CO -0.01 -0.82 -0.26 -1.54 -4.62 0.00 0.00 176.95 169.70 1q56 s SER 59 N 2.87 3.23 -0.24 5.86 1.04 0.10 -2.26 113.70 124.31 1q56 s SER 59 Ca 0.16 -0.73 0.22 0.00 0.48 0.00 0.00 55.95 56.07 1q56 s SER 59 Cb -0.13 -0.22 0.50 0.00 0.10 0.00 0.00 66.02 66.28 1q56 s SER 59 CO -0.21 0.17 1.12 0.61 0.98 0.00 0.00 173.24 175.92 1q56 n GLY 60 N 0.99 2.16 1.88 7.32 0.00 -1.26 -1.67 105.19 114.62 1q56 n GLY 60 Ca -0.18 -1.19 -0.05 0.00 0.00 0.00 0.00 46.02 44.60 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 -0.52 -1.86 0.00 1.61 4.81 -1.26 -4.19 118.16 116.75 1q56 n LYS 61 Ca 0.10 0.25 0.00 0.00 -0.87 0.00 0.00 58.31 57.79 1q56 n LYS 61 Cb 0.84 -4.55 0.00 0.00 0.02 0.00 0.00 35.03 31.35 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 -0.33 1.08 1.50 3.14 0.00 -1.26 -4.42 105.19 104.89 1q56 n GLY 62 Ca -0.05 -1.59 0.16 0.00 0.00 0.00 0.00 46.02 44.55 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 -2.02 0.99 4.32 -1.26 -4.67 117.00 114.36 1q56 n LEU 63 Ca 0.00 1.30 -0.02 0.00 -0.02 0.00 0.00 56.01 57.26 1q56 n LEU 63 Cb 0.00 -3.71 0.06 0.00 -1.62 0.00 0.00 43.42 38.14 1q56 n LEU 63 CO 0.00 -2.43 0.09 -1.84 -1.22 0.00 0.00 177.39 171.99 1q56 n GLU 64 N -3.67 1.54 -0.73 3.23 0.28 -1.26 -4.82 120.64 115.21 1q56 n GLU 64 Ca 0.01 -3.16 -0.00 0.00 -0.16 0.00 0.00 57.16 53.85 1q56 n GLU 64 Cb 0.55 -1.26 -0.00 0.00 1.43 0.00 0.00 31.44 32.16 1q56 n GLU 64 CO 0.00 0.00 0.00 2.89 -0.16 0.00 0.00 177.13 179.86 1q56 n ARG 65 N -0.36 0.00 -4.25 3.44 1.85 -1.26 -5.15 116.66 110.92 1q56 n ARG 65 Ca 0.15 -0.01 -0.28 0.00 -1.00 0.00 0.00 57.85 56.71 1q56 n ARG 65 Cb 0.92 0.39 -0.09 0.00 -1.05 0.00 0.00 32.46 32.62 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 -0.01 4.36 0.00 2.89 1.04 -1.26 -5.08 113.70 115.64 1q56 s SER 66 Ca 0.00 -0.47 0.00 0.00 0.48 0.00 0.00 55.95 55.96 1q56 s SER 66 Cb 0.00 -0.80 0.00 0.00 0.10 0.00 0.00 66.02 65.32 1q56 s SER 66 CO -0.00 0.14 0.00 0.47 0.98 0.00 0.00 173.24 174.83 1q56 n ASP 67 N 0.33 0.00 0.00 7.02 9.92 -1.26 -4.63 116.55 127.93 1q56 n ASP 67 Ca -0.12 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.14 1q56 n ASP 67 Cb 0.54 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.02 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 -1.23 0.00 -3.80 1.24 4.02 -1.19 -4.14 117.16 112.05 1q56 n TYR 68 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.78 1q56 n TYR 68 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.24 1q56 n TYR 68 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1q56 s ILE 69 N 0.00 0.09 -0.12 -0.72 -1.09 -0.67 -3.01 121.20 115.68 1q56 s ILE 69 Ca 0.00 -0.71 -0.34 0.00 -2.23 0.00 0.00 60.65 57.37 1q56 s ILE 69 Cb 0.00 -0.79 0.14 0.00 -1.58 0.00 0.00 42.46 40.23 1q56 s ILE 69 CO 0.00 -0.39 1.35 0.00 -1.23 0.00 0.00 174.94 174.66 1q56 s ALA 70 N -2.13 -2.30 -0.29 9.38 0.00 -1.11 0.03 121.76 125.34 1q56 s ALA 70 Ca -0.08 1.16 0.01 0.00 0.00 0.00 0.00 51.96 53.05 1q56 s ALA 70 Cb -0.03 0.10 0.15 0.00 0.00 0.00 0.00 23.12 23.34 1q56 s ALA 70 CO -0.01 -0.89 0.38 -0.51 0.00 0.00 0.00 175.76 174.73 1q56 s LEU 71 N -2.68 -0.62 0.48 0.00 1.43 0.52 -2.76 118.68 115.05 1q56 s LEU 71 Ca 0.13 -0.51 0.05 0.00 -1.03 0.00 0.00 54.13 52.77 1q56 s LEU 71 Cb 0.04 0.93 -0.01 0.00 0.03 0.00 0.00 46.19 47.18 1q56 s LEU 71 CO -0.05 -0.36 0.21 0.00 0.23 0.00 0.00 176.35 176.38 1q56 s ALA 72 N 2.47 4.01 -0.06 4.21 0.00 -1.12 0.26 121.76 131.55 1q56 s ALA 72 Ca 0.10 -1.38 0.04 0.00 0.00 0.00 0.00 51.96 50.72 1q56 s ALA 72 Cb -0.13 -0.40 -0.02 0.00 0.00 0.00 0.00 23.12 22.57 1q56 s ALA 72 CO -0.31 -0.23 -0.16 0.42 0.00 0.00 0.00 175.76 175.48 1q56 s ILE 73 N -2.73 2.85 -0.05 0.00 1.01 0.51 -0.81 121.20 121.99 1q56 s ILE 73 Ca 0.30 -0.79 -0.02 0.00 0.00 0.00 0.00 60.65 60.14 1q56 s ILE 73 Cb 0.01 -2.11 0.03 0.00 0.01 0.00 0.00 42.46 40.41 1q56 s ILE 73 CO 0.17 0.58 0.08 -0.69 0.00 0.00 0.00 174.94 175.08 1q56 s VAL 74 N -0.53 -0.11 -1.40 2.92 1.01 0.58 -1.75 120.40 121.12 1q56 s VAL 74 Ca 0.07 0.30 -0.03 0.00 0.00 0.00 0.00 61.98 62.32 1q56 s VAL 74 Cb -0.11 -0.17 0.00 0.00 0.00 0.00 0.00 36.38 36.10 1q56 s VAL 74 CO 0.01 0.12 0.41 0.47 0.00 0.00 0.00 175.10 176.11 1q56 n ASP 75 N 4.72 -5.48 0.00 3.32 8.00 -1.14 -1.74 116.55 124.22 1q56 n ASP 75 Ca -0.16 -0.20 0.00 0.00 0.71 0.00 0.00 54.79 55.14 1q56 n ASP 75 Cb 0.50 -4.37 0.00 0.00 -0.02 0.00 0.00 41.12 37.23 1q56 n ASP 75 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1q56 n GLY 76 N -1.33 0.62 3.37 0.44 0.00 -0.65 -5.02 105.19 102.61 1q56 n GLY 76 Ca -0.13 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.71 1q56 n GLY 76 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1q56 s PHE 77 N -2.36 1.71 0.33 1.61 0.08 -0.71 -2.82 117.98 115.82 1q56 s PHE 77 Ca 0.00 -0.87 0.09 0.00 0.12 0.00 0.00 56.93 56.27 1q56 s PHE 77 Cb 0.00 -1.00 -0.05 0.00 -0.57 0.00 0.00 43.02 41.39 1q56 s PHE 77 CO 0.00 0.05 -0.00 0.08 -0.10 0.00 0.00 175.22 175.24 1q56 s VAL 78 N -3.30 2.69 -0.14 -0.44 1.01 -1.26 0.22 120.40 119.18 1q56 s VAL 78 Ca 0.30 -2.00 -0.09 0.00 0.00 0.00 0.00 61.98 60.19 1q56 s VAL 78 Cb 0.06 -2.77 0.05 0.00 0.00 0.00 0.00 36.38 33.72 1q56 s VAL 78 CO 0.10 -0.23 0.35 0.00 0.00 0.00 0.00 175.10 175.32 1q56 s GLN 79 N -3.70 0.35 -0.28 2.72 -2.07 0.01 0.13 119.66 116.82 1q56 s GLN 79 Ca 0.34 0.62 -0.12 0.00 -1.82 0.00 0.00 55.36 54.39 1q56 s GLN 79 Cb -0.01 0.02 -0.05 0.00 -1.09 0.00 0.00 33.01 31.89 1q56 s GLN 79 CO 0.19 -0.12 0.22 1.41 -1.32 0.00 0.00 175.29 175.67 1q56 s MET 80 N 0.97 3.96 0.03 9.60 -2.45 -1.18 -2.78 119.30 127.45 1q56 s MET 80 Ca -0.06 -0.26 0.09 0.00 -1.25 0.00 0.00 55.69 54.21 1q56 s MET 80 Cb -0.07 -3.66 -0.03 0.00 1.25 0.00 0.00 34.83 32.33 1q56 s MET 80 CO -0.07 -0.19 -0.26 0.00 1.05 0.00 0.00 175.02 175.54 1q56 s MET 81 N 1.80 1.84 -0.02 4.11 0.00 -1.11 -2.20 119.30 123.71 1q56 s MET 81 Ca 0.08 -1.07 -0.00 0.00 0.00 0.00 0.00 55.69 54.70 1q56 s MET 81 Cb -0.16 -1.97 0.03 0.00 0.00 0.00 0.00 34.83 32.73 1q56 s MET 81 CO 0.11 0.51 0.03 1.52 0.00 0.00 0.00 175.02 177.19 1q56 s TYR 82 N -0.77 0.05 -0.58 3.16 -0.85 -1.16 -2.74 117.35 114.47 1q56 s TYR 82 Ca 0.11 0.13 0.05 0.00 -0.52 0.00 0.00 57.07 56.85 1q56 s TYR 82 Cb -0.10 -0.27 0.33 0.00 0.38 0.00 0.00 41.96 42.30 1q56 s TYR 82 CO 0.01 -0.10 0.93 -3.47 -1.52 0.00 0.00 175.55 171.40 1q56 n ASP 83 N 4.29 4.36 -0.45 -0.18 -0.08 -1.16 -2.71 116.55 120.61 1q56 n ASP 83 Ca -0.26 -3.65 0.38 0.00 -1.51 0.00 0.00 54.79 49.75 1q56 n ASP 83 Cb 0.50 -0.57 0.64 0.00 2.34 0.00 0.00 41.12 44.03 1q56 n ASP 83 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1q56 n LEU 84 N -0.15 0.18 0.05 -2.67 4.77 -1.26 -3.14 117.00 114.78 1q56 n LEU 84 Ca 0.31 1.26 0.00 0.00 -0.03 0.00 0.00 56.01 57.55 1q56 n LEU 84 Cb 0.40 -0.62 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 1q56 n LEU 84 CO 0.34 -1.36 -0.14 0.61 -1.33 0.00 0.00 177.39 175.51 1q56 n GLY 85 N -1.51 -0.08 0.00 -0.72 0.00 -1.26 -4.80 105.19 96.82 1q56 n GLY 85 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.40 1q56 n GLY 85 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1q56 n SER 86 N -3.12 0.00 -4.33 1.61 2.88 -1.25 -5.02 113.62 104.40 1q56 n SER 86 Ca 0.00 0.00 -0.46 0.00 -1.33 0.00 0.00 58.87 57.08 1q56 n SER 86 Cb 0.14 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.55 1q56 n SER 86 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1q56 s LYS 87 N -0.24 3.00 0.34 -1.46 -0.14 -1.26 -5.00 119.74 114.98 1q56 s LYS 87 Ca 0.00 -1.59 -0.27 0.00 -1.36 0.00 0.00 55.97 52.75 1q56 s LYS 87 Cb 0.00 -4.27 -0.09 0.00 -1.68 0.00 0.00 37.83 31.78 1q56 s LYS 87 CO 0.00 -1.34 1.14 -1.25 -0.76 0.00 0.00 175.35 173.13 1q56 s PRO 88 N 1.84 4.38 -0.16 -1.68 0.04 -1.26 -4.53 135.00 133.63 1q56 s PRO 88 Ca 0.05 1.82 -0.00 0.00 0.04 0.00 0.00 61.00 62.91 1q56 s PRO 88 Cb -0.28 -2.94 -0.01 0.00 0.04 0.00 0.00 34.50 31.31 1q56 s PRO 88 CO 0.04 -0.03 -0.13 0.54 0.04 0.00 0.00 177.00 177.46 1q56 s VAL 89 N -1.30 2.89 -0.26 -0.36 0.11 -1.10 -4.90 120.40 115.49 1q56 s VAL 89 Ca 0.50 -0.69 -0.09 0.00 -2.93 0.00 0.00 61.98 58.77 1q56 s VAL 89 Cb -0.31 -2.23 -0.04 0.00 -1.53 0.00 0.00 36.38 32.27 1q56 s VAL 89 CO 0.40 0.51 0.11 0.54 -3.33 0.00 0.00 175.10 173.32 1q56 s VAL 90 N 0.76 4.68 -0.80 2.04 0.11 -1.26 -3.01 120.40 122.91 1q56 s VAL 90 Ca -0.05 -0.05 0.02 0.00 -2.93 0.00 0.00 61.98 58.97 1q56 s VAL 90 Cb -0.15 -3.20 0.26 0.00 -1.53 0.00 0.00 36.38 31.76 1q56 s VAL 90 CO 0.01 0.32 0.95 0.18 -3.33 0.00 0.00 175.10 173.23 1q56 n LEU 91 N 4.89 4.55 -4.21 2.54 4.77 -0.93 -4.94 117.00 123.67 1q56 n LEU 91 Ca -0.15 -5.33 -0.29 0.00 -0.03 0.00 0.00 56.01 50.21 1q56 n LEU 91 Cb 0.52 -0.90 0.28 0.00 -2.33 0.00 0.00 43.42 40.98 1q56 n LEU 91 CO 0.32 1.87 0.33 0.54 -1.33 0.00 0.00 177.39 179.12 1q56 n ARG 92 N 1.23 -4.48 -4.09 3.23 1.74 -1.26 -3.11 116.66 109.92 1q56 n ARG 92 Ca 0.27 -1.33 -0.25 0.00 -0.77 0.00 0.00 57.85 55.77 1q56 n ARG 92 Cb 0.38 -1.89 -0.05 0.00 -1.02 0.00 0.00 32.46 29.88 1q56 n ARG 92 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1q56 s SER 93 N -2.91 5.50 -0.27 0.55 0.15 0.34 -4.48 113.70 112.58 1q56 s SER 93 Ca 0.64 -0.16 0.11 0.00 0.70 0.00 0.00 55.95 57.24 1q56 s SER 93 Cb -0.12 -1.43 0.53 0.00 -1.71 0.00 0.00 66.02 63.29 1q56 s SER 93 CO 0.54 0.05 1.49 1.07 1.20 0.00 0.00 173.24 177.60 1q56 n THR 94 N -0.48 2.54 -4.16 6.45 5.66 -1.26 -4.69 114.28 118.33 1q56 n THR 94 Ca -0.08 -2.42 -0.16 0.00 -3.05 0.00 0.00 64.05 58.34 1q56 n THR 94 Cb 0.55 -0.32 -0.12 0.00 -1.55 0.00 0.00 70.33 68.89 1q56 n THR 94 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1q56 s VAL 95 N -3.13 0.74 0.29 1.08 1.01 -1.26 -5.08 120.40 114.06 1q56 s VAL 95 Ca 0.45 -0.96 -0.29 0.00 0.00 0.00 0.00 61.98 61.18 1q56 s VAL 95 Cb 0.39 -0.73 -0.10 0.00 0.00 0.00 0.00 36.38 35.94 1q56 s VAL 95 CO 0.03 -0.19 1.32 -2.16 0.00 0.00 0.00 175.10 174.11 1q56 s PRO 96 N -1.26 4.36 0.00 2.72 0.04 -1.26 -4.75 135.00 134.84 1q56 s PRO 96 Ca -0.04 2.18 0.00 0.00 0.04 0.00 0.00 61.00 63.18 1q56 s PRO 96 Cb -0.08 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.36 1q56 s PRO 96 CO 0.01 -0.21 0.00 1.51 0.04 0.00 0.00 177.00 178.34 1q56 n ILE 97 N 1.35 0.00 -0.94 0.56 0.13 -1.13 -4.84 119.36 114.49 1q56 n ILE 97 Ca 0.02 0.00 -0.29 0.00 -1.10 0.00 0.00 62.75 61.38 1q56 n ILE 97 Cb 0.42 -0.65 -0.03 0.00 -0.84 0.00 0.00 39.64 38.55 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 -1.50 4.79 -0.06 9.51 6.94 -1.25 -3.87 115.26 129.83 1q56 n ASN 98 Ca 0.00 -2.45 0.02 0.00 -0.02 0.00 0.00 54.58 52.13 1q56 n ASN 98 Cb 0.33 -1.18 0.03 0.00 -2.36 0.00 0.00 39.78 36.60 1q56 n ASN 98 CO 0.00 0.00 0.00 1.07 -1.03 0.00 0.00 177.26 177.30 1q56 n THR 99 N 4.56 0.97 -1.03 5.53 5.66 -1.25 -4.86 114.28 123.87 1q56 n THR 99 Ca 0.50 -1.06 -0.01 0.00 -3.05 0.00 0.00 64.05 60.42 1q56 n THR 99 Cb 0.21 0.40 -0.00 0.00 -1.55 0.00 0.00 70.33 69.39 1q56 n THR 99 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1q56 n ASN 100 N -0.60 -5.53 -4.99 1.09 4.13 -0.80 -4.96 115.26 103.60 1q56 n ASN 100 Ca 0.04 0.03 -0.20 0.00 1.68 0.00 0.00 54.58 56.12 1q56 n ASN 100 Cb 0.42 -3.13 0.02 0.00 -1.54 0.00 0.00 39.78 35.56 1q56 n ASN 100 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 1q56 s HIS 101 N -1.24 1.98 -0.51 3.10 3.76 -1.26 -4.88 115.29 116.25 1q56 s HIS 101 Ca 0.00 -0.63 -0.20 0.00 -0.15 0.00 0.00 55.06 54.08 1q56 s HIS 101 Cb 0.00 -2.20 0.05 0.00 1.11 0.00 0.00 32.58 31.54 1q56 s HIS 101 CO 0.00 -0.71 0.67 -1.58 -0.85 0.00 0.00 174.74 172.27 1q56 s TRP 102 N -2.57 3.01 0.45 1.40 0.52 -1.26 -3.89 118.94 116.60 1q56 s TRP 102 Ca 0.54 -0.43 0.07 0.00 0.02 0.00 0.00 56.10 56.30 1q56 s TRP 102 Cb -0.06 -3.60 0.02 0.00 -1.15 0.00 0.00 33.47 28.69 1q56 s TRP 102 CO 0.33 -1.07 0.62 0.99 0.02 0.00 0.00 176.95 177.84 1q56 s THR 103 N 2.83 2.86 -0.08 2.01 2.01 -1.00 -4.88 115.64 119.40 1q56 s THR 103 Ca 0.18 -0.97 0.03 0.00 0.31 0.00 0.00 61.69 61.24 1q56 s THR 103 Cb -0.18 -2.90 0.01 0.00 0.01 0.00 0.00 72.50 69.44 1q56 s THR 103 CO 0.13 0.00 -0.17 -2.28 -0.69 0.00 0.00 174.62 171.61 1q56 s HIS 104 N -2.43 1.92 0.24 4.92 2.46 -1.26 -2.57 115.29 118.56 1q56 s HIS 104 Ca 0.56 -0.75 0.10 0.00 0.47 0.00 0.00 55.06 55.44 1q56 s HIS 104 Cb -0.09 -1.34 -0.05 0.00 -0.13 0.00 0.00 32.58 30.97 1q56 s HIS 104 CO 0.34 -0.33 -0.17 0.42 -2.47 0.00 0.00 174.74 172.53 1q56 s ILE 105 N 0.51 2.08 -0.04 0.89 1.01 -0.20 0.23 121.20 125.69 1q56 s ILE 105 Ca -0.16 -2.28 -0.15 0.00 0.00 0.00 0.00 60.65 58.06 1q56 s ILE 105 Cb -0.17 -2.15 0.03 0.00 0.01 0.00 0.00 42.46 40.18 1q56 s ILE 105 CO 0.06 -0.48 0.33 -0.75 0.00 0.00 0.00 174.94 174.09 1q56 s LYS 106 N -3.52 0.63 -0.25 2.79 2.47 0.13 -2.99 119.74 119.00 1q56 s LYS 106 Ca 0.25 -0.05 -0.02 0.00 -1.56 0.00 0.00 55.97 54.60 1q56 s LYS 106 Cb -0.03 0.28 0.14 0.00 -1.46 0.00 0.00 37.83 36.76 1q56 s LYS 106 CO 0.10 -0.16 0.39 0.00 0.16 0.00 0.00 175.35 175.84 1q56 s ALA 107 N -1.02 -1.12 -0.29 3.13 0.00 -0.71 -0.21 121.76 121.53 1q56 s ALA 107 Ca -0.11 0.80 0.03 0.00 0.00 0.00 0.00 51.96 52.69 1q56 s ALA 107 Cb -0.05 -1.75 0.08 0.00 0.00 0.00 0.00 23.12 21.40 1q56 s ALA 107 CO 0.04 -1.35 -0.03 1.52 0.00 0.00 0.00 175.76 175.94 1q56 s TYR 108 N 2.55 3.36 -0.04 0.00 1.13 -1.02 -1.23 117.35 122.09 1q56 s TYR 108 Ca 0.12 -2.55 -0.30 0.00 -1.41 0.00 0.00 57.07 52.93 1q56 s TYR 108 Cb -0.15 -2.32 -0.04 0.00 -1.10 0.00 0.00 41.96 38.35 1q56 s TYR 108 CO -0.18 -0.90 1.36 0.50 -2.51 0.00 0.00 175.55 173.81 1q56 s ARG 109 N 1.06 4.28 -0.71 -3.49 3.52 -0.96 -2.71 118.95 119.94 1q56 s ARG 109 Ca 0.00 1.87 -0.04 0.00 -0.13 0.00 0.00 55.73 57.43 1q56 s ARG 109 Cb -0.19 -3.64 0.18 0.00 -1.56 0.00 0.00 34.95 29.74 1q56 s ARG 109 CO -0.07 -0.59 0.56 0.08 -0.81 0.00 0.00 175.30 174.46 1q56 s VAL 110 N 2.69 4.15 0.00 7.11 1.01 0.70 -2.57 120.40 133.50 1q56 s VAL 110 Ca 0.61 -3.05 0.00 0.00 0.00 0.00 0.00 61.98 59.54 1q56 s VAL 110 Cb -0.28 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.45 1q56 s VAL 110 CO 0.24 -0.94 0.00 0.00 0.00 0.00 0.00 175.10 174.40 1q56 n GLN 111 N 3.34 -0.63 0.00 2.72 6.02 -1.05 -1.63 117.38 126.16 1q56 n GLN 111 Ca 0.11 0.60 0.00 0.00 -0.01 0.00 0.00 57.00 57.70 1q56 n GLN 111 Cb 0.39 -0.54 0.00 0.00 1.02 0.00 0.00 30.24 31.11 1q56 n GLN 111 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 1q56 n ARG 112 N 2.07 0.00 -3.00 -1.09 0.63 -1.26 -4.80 116.66 109.21 1q56 n ARG 112 Ca 0.00 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.52 1q56 n ARG 112 Cb 0.00 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 32.86 1q56 n ARG 112 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 1q56 s GLU 113 N 0.00 4.17 0.29 -0.14 2.12 -0.65 -0.65 118.70 123.85 1q56 s GLU 113 Ca 0.00 0.77 0.09 0.00 0.36 0.00 0.00 54.97 56.19 1q56 s GLU 113 Cb 0.00 -3.63 -0.04 0.00 0.26 0.00 0.00 34.13 30.72 1q56 s GLU 113 CO 0.00 -0.42 0.03 0.20 -0.54 0.00 0.00 175.26 174.52 1q56 s GLY 114 N 1.34 1.78 0.12 -1.50 0.00 0.45 0.25 107.32 109.77 1q56 s GLY 114 Ca 0.31 -1.74 0.01 0.00 0.00 0.00 0.00 44.72 43.30 1q56 s GLY 114 CO 0.09 -1.76 -0.02 -0.45 0.00 0.00 0.00 173.10 170.95 1q56 s SER 115 N -3.72 0.99 -0.10 1.64 0.15 -1.10 -0.92 113.70 110.65 1q56 s SER 115 Ca 0.33 -1.09 -0.09 0.00 0.70 0.00 0.00 55.95 55.81 1q56 s SER 115 Cb -0.05 0.14 0.03 0.00 -1.71 0.00 0.00 66.02 64.43 1q56 s SER 115 CO 0.20 -0.55 0.27 -0.22 1.20 0.00 0.00 173.24 174.14 1q56 s LEU 116 N -3.07 0.93 -0.01 3.45 1.98 -0.73 -2.43 118.68 118.79 1q56 s LEU 116 Ca 0.17 0.54 -0.04 0.00 -2.89 0.00 0.00 54.13 51.91 1q56 s LEU 116 Cb 0.06 0.91 -0.00 0.00 0.66 0.00 0.00 46.19 47.82 1q56 s LEU 116 CO -0.02 -0.10 0.08 -1.10 -1.89 0.00 0.00 176.35 173.33 1q56 s GLN 117 N 0.24 0.31 -0.48 1.98 -0.21 0.71 0.63 119.66 122.84 1q56 s GLN 117 Ca -0.01 -0.25 -0.12 0.00 0.02 0.00 0.00 55.36 55.00 1q56 s GLN 117 Cb -0.03 0.13 0.11 0.00 1.00 0.00 0.00 33.01 34.22 1q56 s GLN 117 CO -0.00 -0.06 0.37 0.08 -2.12 0.00 0.00 175.29 173.56 1q56 s VAL 118 N -0.87 4.60 -0.77 1.09 1.01 -1.26 0.21 120.40 124.41 1q56 s VAL 118 Ca -0.10 -1.54 -0.01 0.00 0.00 0.00 0.00 61.98 60.33 1q56 s VAL 118 Cb -0.06 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.40 1q56 s VAL 118 CO 0.00 -0.72 0.19 0.61 0.00 0.00 0.00 175.10 175.19 1q56 n GLY 119 N 5.04 0.06 3.44 4.51 0.00 0.64 -2.74 105.19 116.14 1q56 n GLY 119 Ca -0.10 -0.39 -0.24 0.00 0.00 0.00 0.00 46.02 45.28 1q56 n GLY 119 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1q56 n ASN 120 N -0.14 -5.92 0.00 1.61 2.85 -1.26 -4.98 115.26 107.42 1q56 n ASN 120 Ca -0.07 -0.48 0.00 0.00 -0.11 0.00 0.00 54.58 53.92 1q56 n ASN 120 Cb 0.57 -4.72 0.00 0.00 1.24 0.00 0.00 39.78 36.87 1q56 n ASN 120 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1q56 n GLU 121 N -4.56 3.61 -1.34 1.20 -0.58 -1.11 -4.93 120.64 112.93 1q56 n GLU 121 Ca -0.03 0.00 -0.36 0.00 -0.42 0.00 0.00 57.16 56.35 1q56 n GLU 121 Cb 0.57 0.00 -0.14 0.00 -0.57 0.00 0.00 31.44 31.31 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 0.29 -2.29 0.62 0.00 -1.26 -4.54 120.51 110.32 1q56 n ALA 122 Ca 0.00 -0.27 -0.42 0.00 0.00 0.00 0.00 53.44 52.75 1q56 n ALA 122 Cb 0.00 -2.04 -0.03 0.00 0.00 0.00 0.00 19.45 17.38 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 8.00 4.44 -0.54 0.00 0.04 -1.26 -4.55 135.00 141.13 1q56 s PRO 123 Ca 1.22 1.83 -0.17 0.00 0.04 0.00 0.00 61.00 63.91 1q56 s PRO 123 Cb -1.12 -3.31 0.10 0.00 0.04 0.00 0.00 34.50 30.21 1q56 s PRO 123 CO 0.44 -0.23 0.57 0.42 0.04 0.00 0.00 177.00 178.24 1q56 s ILE 124 N 0.77 5.02 0.43 0.56 1.09 0.21 -4.83 121.20 124.44 1q56 s ILE 124 Ca 0.58 -1.07 0.08 0.00 -1.10 0.00 0.00 60.65 59.14 1q56 s ILE 124 Cb -0.31 -4.34 -0.02 0.00 -1.06 0.00 0.00 42.46 36.73 1q56 s ILE 124 CO 0.31 -0.89 0.38 0.42 -0.10 0.00 0.00 174.94 175.06 1q56 s THR 125 N 2.16 2.59 0.00 2.92 -4.23 -1.26 -1.78 115.64 116.04 1q56 s THR 125 Ca 0.08 -1.35 0.00 0.00 -1.18 0.00 0.00 61.69 59.24 1q56 s THR 125 Cb -0.25 -2.94 0.00 0.00 1.34 0.00 0.00 72.50 70.65 1q56 s THR 125 CO 0.06 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.75 1q56 n GLY 126 N -1.56 1.00 3.24 3.99 0.00 -0.09 -4.95 105.19 106.82 1q56 n GLY 126 Ca 0.03 -0.59 -0.14 0.00 0.00 0.00 0.00 46.02 45.33 1q56 n GLY 126 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1q56 s SER 127 N 0.00 1.44 0.65 1.61 0.01 -1.26 0.17 113.70 116.33 1q56 s SER 127 Ca 0.00 -1.11 -0.02 0.00 1.31 0.00 0.00 55.95 56.13 1q56 s SER 127 Cb 0.00 0.07 0.07 0.00 0.21 0.00 0.00 66.02 66.37 1q56 s SER 127 CO 0.00 -0.48 0.92 -0.94 0.41 0.00 0.00 173.24 173.15 1q56 s SER 128 N -3.17 4.83 -0.02 2.44 1.04 0.17 -4.89 113.70 114.10 1q56 s SER 128 Ca 0.21 0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.69 1q56 s SER 128 Cb 0.05 -0.71 0.02 0.00 0.10 0.00 0.00 66.02 65.48 1q56 s SER 128 CO 0.02 -1.52 1.67 -0.81 0.98 0.00 0.00 173.24 173.59 1q56 n PRO 129 N -2.69 1.06 0.00 4.02 -0.04 -1.26 -4.84 135.00 131.25 1q56 n PRO 129 Ca 0.10 -0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 1q56 n PRO 129 Cb 0.60 -1.05 0.00 0.00 -0.04 0.00 0.00 33.50 33.01 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 1.07 0.00 0.00 1.53 4.77 -1.26 -4.85 117.00 118.26 1q56 n LEU 130 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1q56 n LEU 130 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1q56 n LEU 130 CO 0.03 -0.15 0.00 0.61 -1.33 0.00 0.00 177.39 176.55 1q56 n GLY 131 N 0.00 2.63 0.00 -0.72 0.00 -1.26 -5.00 105.19 100.84 1q56 n GLY 131 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.05 0.00 -3.26 4.61 0.00 -1.26 -5.07 120.51 115.48 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 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 1q56 n ALA 132 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1q56 s THR 133 N 0.12 -0.73 0.00 0.00 2.01 -1.26 -5.09 115.64 110.69 1q56 s THR 133 Ca 0.00 -0.28 0.00 0.00 0.31 0.00 0.00 61.69 61.72 1q56 s THR 133 Cb 0.00 -0.83 0.00 0.00 0.01 0.00 0.00 72.50 71.68 1q56 s THR 133 CO 0.00 -0.22 0.00 1.67 -0.69 0.00 0.00 174.62 175.38 1q56 n GLN 134 N 5.12 0.00 -3.15 4.92 7.27 -1.26 -4.76 117.38 125.52 1q56 n GLN 134 Ca 0.04 0.00 0.04 0.00 0.07 0.00 0.00 57.00 57.15 1q56 n GLN 134 Cb 0.51 0.00 -0.00 0.00 2.41 0.00 0.00 30.24 33.15 1q56 n GLN 134 CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 1q56 s LEU 135 N 0.00 -1.51 0.68 1.69 0.20 -1.26 -4.95 118.68 113.53 1q56 s LEU 135 Ca 0.00 0.46 0.00 0.00 0.69 0.00 0.00 54.13 55.29 1q56 s LEU 135 Cb 0.00 2.08 0.11 0.00 -0.43 0.00 0.00 46.19 47.95 1q56 s LEU 135 CO 0.00 -0.28 0.95 -1.81 -0.29 0.00 0.00 176.35 174.92 1q56 s ASP 136 N 2.84 4.54 -0.01 3.68 1.11 -1.26 -4.69 116.67 122.89 1q56 s ASP 136 Ca 0.14 -0.33 0.01 0.00 0.18 0.00 0.00 52.55 52.55 1q56 s ASP 136 Cb -0.12 -0.14 0.01 0.00 1.07 0.00 0.00 42.92 43.74 1q56 s ASP 136 CO -0.24 -1.71 -0.01 0.28 1.18 0.00 0.00 175.17 174.66 1q56 s THR 137 N -3.05 0.17 -0.53 -1.27 -1.32 -1.22 -4.75 115.64 103.67 1q56 s THR 137 Ca 0.65 -0.03 0.05 0.00 -1.21 0.00 0.00 61.69 61.14 1q56 s THR 137 Cb -0.06 -0.19 0.36 0.00 -1.51 0.00 0.00 72.50 71.09 1q56 s THR 137 CO 0.43 0.08 1.17 -0.90 -2.21 0.00 0.00 174.62 173.19 1q56 n ASP 138 N 3.40 3.22 -1.13 8.08 5.75 -1.26 -4.82 116.55 129.79 1q56 n ASP 138 Ca -0.17 -2.51 -0.11 0.00 -0.01 0.00 0.00 54.79 51.99 1q56 n ASP 138 Cb 0.56 -0.61 -0.05 0.00 -1.03 0.00 0.00 41.12 40.00 1q56 n ASP 138 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1q56 n GLY 139 N 0.14 1.02 3.67 6.12 0.00 -1.25 -4.50 105.19 110.38 1q56 n GLY 139 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.84 3.23 0.07 4.61 0.00 -1.25 0.15 121.76 126.72 1q56 s ALA 140 Ca 0.00 -1.15 -0.26 0.00 0.00 0.00 0.00 51.96 50.55 1q56 s ALA 140 Cb 0.00 -1.13 0.07 0.00 0.00 0.00 0.00 23.12 22.06 1q56 s ALA 140 CO 0.00 0.68 0.65 -1.17 0.00 0.00 0.00 175.76 175.93 1q56 s LEU 141 N -2.32 -0.58 -0.25 0.00 2.96 -0.55 -4.64 118.68 113.29 1q56 s LEU 141 Ca 0.25 0.25 -0.01 0.00 -0.22 0.00 0.00 54.13 54.40 1q56 s LEU 141 Cb -0.11 2.53 0.08 0.00 0.50 0.00 0.00 46.19 49.18 1q56 s LEU 141 CO 0.17 -0.81 0.05 0.26 -1.32 0.00 0.00 176.35 174.70 1q56 s TRP 142 N -2.78 1.60 -0.23 5.38 0.52 -0.96 -0.62 118.94 121.86 1q56 s TRP 142 Ca -0.03 -1.43 -0.00 0.00 0.02 0.00 0.00 56.10 54.66 1q56 s TRP 142 Cb -0.01 -1.45 0.03 0.00 -1.15 0.00 0.00 33.47 30.89 1q56 s TRP 142 CO -0.05 -0.76 -0.11 -1.17 0.02 0.00 0.00 176.95 174.88 1q56 s LEU 143 N 1.66 2.88 0.00 2.99 2.96 0.22 0.44 118.68 129.82 1q56 s LEU 143 Ca 0.03 -0.83 0.00 0.00 -0.22 0.00 0.00 54.13 53.11 1q56 s LEU 143 Cb -0.17 -1.60 0.00 0.00 0.50 0.00 0.00 46.19 44.91 1q56 s LEU 143 CO -0.15 -0.09 0.00 0.61 -1.32 0.00 0.00 176.35 175.40 1q56 n GLY 144 N 4.64 -0.11 0.00 7.98 0.00 0.76 -2.06 105.19 116.39 1q56 n GLY 144 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.11 3.40 -0.02 0.00 -0.92 -3.08 105.19 104.46 1q56 n GLY 145 Ca 0.00 -1.17 -0.13 0.00 0.00 0.00 0.00 46.02 44.72 1q56 n GLY 145 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1q56 s MET 146 N -2.00 0.58 -0.01 1.61 1.75 -1.26 -4.75 119.30 115.23 1q56 s MET 146 Ca 0.00 0.72 -0.25 0.00 -1.25 0.00 0.00 55.69 54.90 1q56 s MET 146 Cb 0.00 0.27 -0.19 0.00 2.84 0.00 0.00 34.83 37.75 1q56 s MET 146 CO 0.00 -0.08 1.29 1.49 -0.65 0.00 0.00 175.02 177.08 1q56 h GLU 147 N 5.45 -0.07 -2.33 4.11 4.81 -2.00 -3.33 114.58 121.22 1q56 h GLU 147 Ca -0.28 0.00 -0.64 0.00 -0.13 0.00 0.00 59.36 58.31 1q56 h GLU 147 Cb 1.18 0.02 -0.39 0.00 0.63 0.00 0.00 28.75 30.18 1q56 h GLU 147 CO 0.19 0.34 -0.32 2.89 -0.73 0.00 0.00 179.01 181.37 1q56 n ARG 148 N -4.93 2.93 -0.26 1.92 0.00 -1.26 -4.95 116.66 110.12 1q56 n ARG 148 Ca -0.08 -4.66 -0.03 0.00 -0.00 0.00 0.00 57.85 53.08 1q56 n ARG 148 Cb 0.23 -2.31 -0.04 0.00 -0.00 0.00 0.00 32.46 30.34 1q56 n ARG 148 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 1q56 n LEU 149 N 0.91 1.40 0.00 2.89 7.94 -1.25 -3.80 117.00 125.08 1q56 n LEU 149 Ca 0.29 -1.19 0.13 0.00 -1.11 0.00 0.00 56.01 54.14 1q56 n LEU 149 Cb 0.39 -0.37 0.49 0.00 0.53 0.00 0.00 43.42 44.46 1q56 n LEU 149 CO 0.47 0.10 0.79 -1.54 -1.11 0.00 0.00 177.39 176.09 1q56 n SER 150 N 2.82 0.18 0.00 1.96 3.41 -1.26 -4.57 113.62 116.16 1q56 n SER 150 Ca 0.11 0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.97 1q56 n SER 150 Cb 0.24 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 1q56 n SER 150 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1q56 n VAL 151 N -1.51 0.00 -3.65 -3.33 3.14 -1.25 -4.84 118.33 106.89 1q56 n VAL 151 Ca 0.06 0.00 -0.27 0.00 -2.96 0.00 0.00 64.34 61.17 1q56 n VAL 151 Cb 0.34 -0.00 0.02 0.00 -1.06 0.00 0.00 33.84 33.13 1q56 n VAL 151 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1q56 n ALA 152 N -3.00 -1.18 0.00 1.55 0.00 -1.26 -4.78 120.51 111.84 1q56 n ALA 152 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1q56 n ALA 152 Cb 0.00 -3.99 0.00 0.00 0.00 0.00 0.00 19.45 15.46 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 -4.48 0.00 -0.94 0.00 8.25 -1.26 0.70 115.22 117.50 1q56 n HIS 153 Ca 0.01 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.35 1q56 n HIS 153 Cb 0.54 0.00 0.24 0.00 1.12 0.00 0.00 29.99 31.89 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 2.99 -3.66 -0.41 0.00 -1.26 -4.90 118.16 110.91 1q56 n LYS 154 Ca 0.00 -2.81 -0.09 0.00 -0.00 0.00 0.00 58.31 55.41 1q56 n LYS 154 Cb 0.00 -2.13 -0.08 0.00 -0.00 0.00 0.00 35.03 32.82 1q56 n LYS 154 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.40 176.92 1q56 s LEU 155 N -2.86 -0.54 -0.05 -5.58 0.05 0.22 -5.09 118.68 104.82 1q56 s LEU 155 Ca 0.52 1.25 -0.04 0.00 0.05 0.00 0.00 54.13 55.91 1q56 s LEU 155 Cb 0.42 1.98 -0.01 0.00 -2.05 0.00 0.00 46.19 46.53 1q56 s LEU 155 CO 0.12 -0.22 -0.08 -0.81 -0.55 0.00 0.00 176.35 174.81 1q56 n PRO 156 N 4.02 0.17 0.25 1.48 -0.04 -1.26 -4.44 135.00 135.18 1q56 n PRO 156 Ca -0.20 0.29 -0.16 0.00 -0.04 0.00 0.00 63.50 63.39 1q56 n PRO 156 Cb 0.57 -1.04 -0.08 0.00 -0.04 0.00 0.00 33.50 32.91 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 -0.36 -0.75 -0.99 0.54 1.57 -1.96 2.24 116.57 116.86 1q56 h LYS 157 Ca 0.00 0.05 0.37 0.00 -1.87 0.00 0.00 60.65 59.20 1q56 h LYS 157 Cb 0.22 0.17 -0.17 0.00 0.08 0.00 0.00 32.23 32.53 1q56 h LYS 157 CO 0.00 -0.50 0.45 0.00 -0.57 0.00 0.00 179.45 178.83 1q56 h ALA 158 N -0.36 1.92 0.05 3.86 0.00 -1.85 3.26 119.26 126.15 1q56 h ALA 158 Ca -0.03 0.26 -0.26 0.00 0.00 0.00 0.00 54.91 54.88 1q56 h ALA 158 Cb 0.69 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1q56 h ALA 158 CO -0.04 -0.79 -1.32 1.88 0.00 0.00 0.00 179.25 178.98 1q56 h TYR 159 N 0.08 0.18 0.00 0.00 -1.99 -1.59 -0.13 116.97 113.52 1q56 h TYR 159 Ca 0.77 -0.13 0.00 0.00 2.00 0.00 0.00 58.73 61.37 1q56 h TYR 159 Cb 1.91 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 40.63 1q56 h TYR 159 CO -0.10 1.14 0.00 0.45 -0.00 0.00 0.00 178.16 179.65 1q56 n SER 160 N -3.34 0.07 -3.79 3.88 2.88 0.96 -4.07 113.62 110.22 1q56 n SER 160 Ca -0.09 0.52 -0.30 0.00 -1.33 0.00 0.00 58.87 57.67 1q56 n SER 160 Cb 1.00 -0.53 -0.15 0.00 -0.75 0.00 0.00 64.21 63.78 1q56 n SER 160 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1q56 s THR 161 N -3.04 1.17 0.82 2.46 2.01 0.56 -4.98 115.64 114.65 1q56 s THR 161 Ca 0.05 -1.65 -0.10 0.00 0.31 0.00 0.00 61.69 60.30 1q56 s THR 161 Cb 0.07 -1.88 0.16 0.00 0.01 0.00 0.00 72.50 70.86 1q56 s THR 161 CO 0.22 -0.68 0.36 0.61 -0.69 0.00 0.00 174.62 174.44 1q56 n GLY 162 N 4.65 -1.93 3.81 4.40 0.00 0.21 -3.59 105.19 112.74 1q56 n GLY 162 Ca -0.00 -0.62 -0.34 0.00 0.00 0.00 0.00 46.02 45.05 1q56 n GLY 162 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1q56 s PHE 163 N -1.78 3.42 -0.60 1.61 5.36 -1.18 -4.40 117.98 120.41 1q56 s PHE 163 Ca 0.27 1.66 0.04 0.00 -0.96 0.00 0.00 56.93 57.95 1q56 s PHE 163 Cb -0.05 -2.88 0.16 0.00 -0.34 0.00 0.00 43.02 39.91 1q56 s PHE 163 CO 0.23 -0.04 0.41 0.42 -1.46 0.00 0.00 175.22 174.78 1q56 s ILE 164 N -1.99 2.20 0.00 3.12 1.01 -1.26 -0.25 121.20 124.03 1q56 s ILE 164 Ca 0.58 -3.67 0.00 0.00 0.00 0.00 0.00 60.65 57.56 1q56 s ILE 164 Cb -0.12 -2.47 0.00 0.00 0.01 0.00 0.00 42.46 39.87 1q56 s ILE 164 CO 0.17 -1.02 0.00 0.61 0.00 0.00 0.00 174.94 174.70 1q56 n GLY 165 N 2.43 1.37 3.34 6.18 0.00 -1.26 -1.76 105.19 115.50 1q56 n GLY 165 Ca 0.19 -0.73 -0.26 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.28 1.51 -0.08 0.00 1.01 -1.04 0.25 121.20 121.56 1q56 s ILE 167 Ca 0.11 -1.62 -0.29 0.00 0.00 0.00 0.00 60.65 58.85 1q56 s ILE 167 Cb -0.09 -1.51 0.07 0.00 0.01 0.00 0.00 42.46 40.93 1q56 s ILE 167 CO 0.06 -0.24 0.65 -0.60 0.00 0.00 0.00 174.94 174.81 1q56 s ARG 168 N -2.27 0.99 -0.33 2.79 3.52 -0.50 -3.01 118.95 120.15 1q56 s ARG 168 Ca 0.07 0.34 -0.14 0.00 -0.13 0.00 0.00 55.73 55.88 1q56 s ARG 168 Cb -0.08 0.47 0.02 0.00 -1.56 0.00 0.00 34.95 33.80 1q56 s ARG 168 CO 0.04 -0.28 0.34 -0.25 -0.81 0.00 0.00 175.30 174.34 1q56 n ASP 169 N 1.23 -7.24 -4.06 -2.12 8.00 -1.26 -2.24 116.55 108.86 1q56 n ASP 169 Ca -0.18 0.63 -0.25 0.00 0.71 0.00 0.00 54.79 55.69 1q56 n ASP 169 Cb 0.57 -3.96 -0.16 0.00 -0.02 0.00 0.00 41.12 37.54 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 -1.82 1.24 -0.04 2.53 -7.23 -1.26 -3.35 120.40 110.46 1q56 s VAL 170 Ca 0.17 -0.55 -0.08 0.00 -1.81 0.00 0.00 61.98 59.70 1q56 s VAL 170 Cb -0.03 -1.11 0.01 0.00 0.56 0.00 0.00 36.38 35.81 1q56 s VAL 170 CO 0.67 0.37 0.20 -0.63 -0.31 0.00 0.00 175.10 175.40 1q56 s ILE 171 N 0.51 0.03 -0.09 -0.62 1.01 0.15 -3.15 121.20 119.05 1q56 s ILE 171 Ca -0.13 -0.28 -0.00 0.00 0.00 0.00 0.00 60.65 60.24 1q56 s ILE 171 Cb -0.15 -0.38 0.02 0.00 0.01 0.00 0.00 42.46 41.97 1q56 s ILE 171 CO 0.04 -0.16 -0.05 0.54 0.00 0.00 0.00 174.94 175.31 1q56 s VAL 172 N -0.55 0.75 -0.85 2.92 0.11 -1.18 0.10 120.40 121.70 1q56 s VAL 172 Ca -0.06 -0.14 -0.03 0.00 -2.93 0.00 0.00 61.98 58.82 1q56 s VAL 172 Cb -0.04 -0.81 0.03 0.00 -1.53 0.00 0.00 36.38 34.03 1q56 s VAL 172 CO 0.01 0.31 0.14 0.47 -3.33 0.00 0.00 175.10 172.70 1q56 n ASP 173 N 4.84 -3.00 -0.01 3.54 8.00 -0.95 0.21 116.55 129.18 1q56 n ASP 173 Ca -0.13 0.09 -0.00 0.00 0.71 0.00 0.00 54.79 55.46 1q56 n ASP 173 Cb 0.50 -2.57 -0.00 0.00 -0.02 0.00 0.00 41.12 39.03 1q56 n ASP 173 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1q56 n ARG 174 N -2.99 -0.39 -0.97 -1.24 3.00 -1.26 -5.02 116.66 107.79 1q56 n ARG 174 Ca -0.07 0.12 -0.05 0.00 -0.00 0.00 0.00 57.85 57.86 1q56 n ARG 174 Cb 0.56 -3.43 0.02 0.00 0.00 0.00 0.00 32.46 29.61 1q56 n ARG 174 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1q56 n GLN 175 N -2.23 0.44 0.00 -0.14 3.00 0.57 -4.81 117.38 114.21 1q56 n GLN 175 Ca -0.00 -0.52 0.00 0.00 -0.01 0.00 0.00 57.00 56.46 1q56 n GLN 175 Cb 0.10 -0.14 0.00 0.00 0.00 0.00 0.00 30.24 30.20 1q56 n GLN 175 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 1q56 n GLU 176 N -1.37 0.00 0.00 -1.09 2.13 -1.26 -3.13 120.64 115.92 1q56 n GLU 176 Ca 0.03 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.85 1q56 n GLU 176 Cb 0.12 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.83 1q56 n GLU 176 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1q56 n LEU 177 N 0.00 0.00 -4.57 4.31 4.32 -1.19 -4.69 117.00 115.18 1q56 n LEU 177 Ca 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 56.01 55.84 1q56 n LEU 177 Cb 0.00 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 41.71 1q56 n LEU 177 CO 0.00 0.00 1.15 -1.00 -1.22 0.00 0.00 177.39 176.32 1q56 s HIS 178 N 0.00 1.20 0.09 -1.77 3.76 -1.26 -4.74 115.29 112.57 1q56 s HIS 178 Ca 0.00 2.12 -0.33 0.00 -0.15 0.00 0.00 55.06 56.70 1q56 s HIS 178 Cb 0.00 -3.39 -0.15 0.00 1.11 0.00 0.00 32.58 30.15 1q56 s HIS 178 CO 0.00 -1.08 1.59 -0.07 -0.85 0.00 0.00 174.74 174.33 1q56 h LEU 179 N 22.32 -1.16 -1.94 0.89 3.38 -1.95 -2.57 115.31 134.28 1q56 h LEU 179 Ca 0.01 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1q56 h LEU 179 Cb 1.00 0.38 -0.00 0.00 0.09 0.00 0.00 40.66 42.13 1q56 h LEU 179 CO 1.02 -0.59 -0.09 0.58 0.09 0.00 0.00 178.44 179.45 1q56 h VAL 180 N -0.88 0.42 0.19 1.22 2.07 -1.93 0.12 116.25 117.46 1q56 h VAL 180 Ca -0.04 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 1q56 h VAL 180 Cb 0.77 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.89 1q56 h VAL 180 CO -0.06 0.09 -0.09 -0.33 0.02 0.00 0.00 177.57 177.20 1q56 h GLU 181 N 0.00 -0.25 -0.02 1.57 5.08 -1.84 -2.93 114.58 116.20 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 0.34 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1q56 h GLU 181 CO 0.01 -0.03 -0.23 -0.25 -1.00 0.00 0.00 179.01 177.51 1q56 n ASP 182 N -5.12 1.78 0.09 1.42 9.92 -1.18 -3.95 116.55 119.51 1q56 n ASP 182 Ca -0.09 -1.40 -0.04 0.00 -0.53 0.00 0.00 54.79 52.74 1q56 n ASP 182 Cb 0.19 0.19 -0.02 0.00 -0.64 0.00 0.00 41.12 40.84 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 4.05 0.55 0.00 2.24 0.00 -0.69 -2.94 119.26 122.48 1q56 h ALA 183 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.17 1q56 h ALA 183 Cb 0.67 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1q56 h ALA 183 CO 0.00 1.02 0.03 -0.07 0.00 0.00 0.00 179.25 180.22 1q56 h LEU 184 N 0.00 0.00 -1.81 0.00 4.07 -1.64 -0.59 115.31 115.34 1q56 h LEU 184 Ca -0.01 0.00 0.10 0.00 0.08 0.00 0.00 57.88 58.06 1q56 h LEU 184 Cb 1.54 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.26 1q56 h LEU 184 CO 0.11 0.00 0.52 -1.13 -1.08 0.00 0.00 178.44 176.85 1q56 h ASN 185 N 0.00 0.00 -3.03 -0.43 -0.73 -1.77 -3.38 115.58 106.24 1q56 h ASN 185 Ca 0.00 0.00 -0.60 0.00 1.87 0.00 0.00 56.30 57.57 1q56 h ASN 185 Cb 0.06 0.00 -0.04 0.00 0.27 0.00 0.00 38.32 38.61 1q56 h ASN 185 CO 0.00 0.00 -0.38 0.21 -0.37 0.00 0.00 177.43 176.89 1q56 s ASN 186 N -4.80 6.45 0.00 1.15 2.47 -0.23 -4.98 114.94 115.00 1q56 s ASN 186 Ca -0.04 0.49 -0.24 0.00 0.42 0.00 0.00 52.86 53.49 1q56 s ASN 186 Cb 0.13 -2.05 -0.16 0.00 -1.45 0.00 0.00 41.25 37.72 1q56 s ASN 186 CO 0.45 0.13 1.17 1.55 -3.72 0.00 0.00 177.10 176.68 1q56 h PRO 187 N 3.16 -0.44 -5.38 0.43 0.13 -1.87 -3.43 132.00 124.59 1q56 h PRO 187 Ca -0.47 0.03 -0.62 0.00 -0.87 0.00 0.00 66.00 64.07 1q56 h PRO 187 Cb 1.17 0.10 -0.12 0.00 0.13 0.00 0.00 31.00 32.28 1q56 h PRO 187 CO 0.72 -0.12 -0.52 0.99 -0.23 0.00 0.00 178.00 178.84 1q56 s THR 188 N -4.50 5.19 -0.20 1.56 2.01 -1.26 -5.07 115.64 113.36 1q56 s THR 188 Ca -0.14 0.10 -0.01 0.00 0.31 0.00 0.00 61.69 61.96 1q56 s THR 188 Cb 0.02 -3.33 0.06 0.00 0.01 0.00 0.00 72.50 69.26 1q56 s THR 188 CO 0.51 0.49 -0.01 -0.63 -0.69 0.00 0.00 174.62 174.29 1q56 s ILE 189 N 0.03 0.98 0.83 1.82 1.01 -1.26 -4.96 121.20 119.65 1q56 s ILE 189 Ca 0.08 -0.80 -0.09 0.00 0.00 0.00 0.00 60.65 59.84 1q56 s ILE 189 Cb -0.12 -1.34 0.14 0.00 0.01 0.00 0.00 42.46 41.15 1q56 s ILE 189 CO -0.00 -0.11 1.15 -0.76 0.00 0.00 0.00 174.94 175.22 1q56 s LEU 190 N 1.65 2.81 -0.04 2.97 1.43 -1.26 -4.98 118.68 121.26 1q56 s LEU 190 Ca -0.02 0.14 0.06 0.00 -1.03 0.00 0.00 54.13 53.27 1q56 s LEU 190 Cb -0.17 -2.42 0.10 0.00 0.03 0.00 0.00 46.19 43.73 1q56 s LEU 190 CO -0.07 -2.20 1.01 1.41 0.23 0.00 0.00 176.35 176.73 1q56 n HIS 191 N -3.29 0.00 -1.35 0.29 8.25 -1.26 -3.34 115.22 114.53 1q56 n HIS 191 Ca 0.13 -0.35 0.16 0.00 -0.26 0.00 0.00 57.72 57.40 1q56 n HIS 191 Cb 0.60 -0.08 -0.07 0.00 1.12 0.00 0.00 29.99 31.56 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 -6.85 1.07 0.00 0.00 0.01 -1.26 -4.91 113.70 101.75 1q56 s SER 193 Ca 0.00 -0.42 0.00 0.00 1.31 0.00 0.00 55.95 56.84 1q56 s SER 193 Cb 0.00 -0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.20 1q56 s SER 193 CO 0.00 -0.06 0.00 0.00 0.41 0.00 0.00 173.24 173.59 1q56 n ALA 194 N 1.94 0.00 -1.30 1.44 0.00 -1.26 -5.20 120.51 116.13 1q56 n ALA 194 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1q56 n ALA 194 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 1q56 n ALA 194 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86