#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qjz n ASP 2 N 0.00 0.40 -3.75 6.12 9.92 -1.26 -5.19 116.55 122.79 1qjz n ASP 2 Ca 0.00 -1.42 -0.12 0.00 -0.53 0.00 0.00 54.79 52.71 1qjz n ASP 2 Cb 0.00 0.27 -0.11 0.00 -0.64 0.00 0.00 41.12 40.63 1qjz n ASP 2 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 1qjz s SER 3 N -1.47 -0.34 -0.09 -2.24 0.01 -1.26 -5.16 113.70 103.16 1qjz s SER 3 Ca 0.06 0.65 0.00 0.00 1.31 0.00 0.00 55.95 57.97 1qjz s SER 3 Cb 0.00 0.62 0.02 0.00 0.21 0.00 0.00 66.02 66.87 1qjz s SER 3 CO 0.04 -0.13 -0.06 -0.94 0.41 0.00 0.00 173.24 172.56 1qjz s SER 4 N 0.52 1.80 -0.55 2.44 1.04 -1.26 -5.05 113.70 112.64 1qjz s SER 4 Ca -0.03 -0.23 0.01 0.00 0.48 0.00 0.00 55.95 56.18 1qjz s SER 4 Cb -0.04 -0.69 0.56 0.00 0.10 0.00 0.00 66.02 65.95 1qjz s SER 4 CO -0.03 -0.10 1.97 -0.62 0.98 0.00 0.00 173.24 175.44 1qjz n GLU 5 N 4.67 2.46 -3.72 4.02 -0.58 -1.26 -4.91 120.64 121.33 1qjz n GLU 5 Ca -0.15 -3.15 -0.12 0.00 -0.42 0.00 0.00 57.16 53.33 1qjz n GLU 5 Cb 0.50 -2.23 -0.12 0.00 -0.57 0.00 0.00 31.44 29.02 1qjz n GLU 5 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1qjz s VAL 6 N -4.03 -0.04 -0.19 2.62 1.01 -1.26 -3.80 120.40 114.71 1qjz s VAL 6 Ca 0.61 0.13 -0.03 0.00 0.00 0.00 0.00 61.98 62.69 1qjz s VAL 6 Cb 0.49 -0.45 -0.01 0.00 0.00 0.00 0.00 36.38 36.41 1qjz s VAL 6 CO 0.05 0.05 -0.08 -0.69 0.00 0.00 0.00 175.10 174.44 1qjz s VAL 7 N 1.31 3.23 0.28 2.92 1.01 -0.18 -5.01 120.40 123.96 1qjz s VAL 7 Ca -0.09 -0.56 -0.02 0.00 0.00 0.00 0.00 61.98 61.30 1qjz s VAL 7 Cb -0.10 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 1qjz s VAL 7 CO -0.10 0.46 0.50 -0.54 0.00 0.00 0.00 175.10 175.43 1qjz s LYS 8 N 1.08 3.56 -0.23 2.72 1.02 -1.26 -2.81 119.74 123.82 1qjz s LYS 8 Ca 0.01 -0.18 -0.11 0.00 0.02 0.00 0.00 55.97 55.71 1qjz s LYS 8 Cb -0.15 -2.71 0.09 0.00 -0.52 0.00 0.00 37.83 34.54 1qjz s LYS 8 CO -0.01 0.25 0.54 0.08 -0.92 0.00 0.00 175.35 175.29 1qjz s VAL 9 N -2.08 -0.35 0.13 3.17 1.01 -0.91 -4.94 120.40 116.44 1qjz s VAL 9 Ca 0.41 0.07 -0.21 0.00 0.00 0.00 0.00 61.98 62.24 1qjz s VAL 9 Cb -0.10 -0.81 -0.07 0.00 0.00 0.00 0.00 36.38 35.39 1qjz s VAL 9 CO 0.31 0.03 0.67 -0.54 0.00 0.00 0.00 175.10 175.57 1qjz s LYS 10 N 2.03 4.34 -0.50 2.72 1.02 -1.26 -3.91 119.74 124.18 1qjz s LYS 10 Ca -0.07 0.90 -0.20 0.00 0.02 0.00 0.00 55.97 56.62 1qjz s LYS 10 Cb -0.09 -3.18 0.05 0.00 -0.52 0.00 0.00 37.83 34.09 1qjz s LYS 10 CO -0.16 0.57 0.66 -1.14 -0.92 0.00 0.00 175.35 174.36 1qjz s GLN 11 N -1.29 3.17 0.23 1.68 0.74 -1.26 -5.01 119.66 117.93 1qjz s GLN 11 Ca 0.34 -0.72 -0.30 0.00 0.05 0.00 0.00 55.36 54.73 1qjz s GLN 11 Cb -0.20 -4.06 -0.15 0.00 1.10 0.00 0.00 33.01 29.69 1qjz s GLN 11 CO 0.22 -1.21 1.01 0.00 -0.55 0.00 0.00 175.29 174.76 1qjz n ALA 12 N 6.33 -0.80 -3.40 1.58 0.00 -1.26 -4.92 120.51 118.04 1qjz n ALA 12 Ca -0.05 0.43 -0.13 0.00 0.00 0.00 0.00 53.44 53.69 1qjz n ALA 12 Cb 0.46 -1.97 -0.03 0.00 0.00 0.00 0.00 19.45 17.91 1qjz n ALA 12 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1qjz s SER 13 N -0.39 -0.56 -0.09 0.00 0.01 -1.26 -3.70 113.70 107.71 1qjz s SER 13 Ca 0.65 0.08 -0.02 0.00 1.31 0.00 0.00 55.95 57.98 1qjz s SER 13 Cb -0.79 0.58 -0.03 0.00 0.21 0.00 0.00 66.02 65.98 1qjz s SER 13 CO 0.56 -0.91 -0.01 -0.63 0.41 0.00 0.00 173.24 172.67 1qjz s ILE 14 N -3.36 4.25 0.13 1.44 -1.09 -1.26 -5.05 121.20 116.25 1qjz s ILE 14 Ca -0.01 -0.27 -0.35 0.00 -2.23 0.00 0.00 60.65 57.79 1qjz s ILE 14 Cb -0.01 -2.78 -0.15 0.00 -1.58 0.00 0.00 42.46 37.94 1qjz s ILE 14 CO -0.09 0.60 1.47 -0.81 -1.23 0.00 0.00 174.94 174.88 1qjz n PRO 15 N 2.19 1.72 -2.66 2.79 -0.04 -1.26 -4.71 135.00 133.02 1qjz n PRO 15 Ca -0.18 0.62 -0.06 0.00 -0.04 0.00 0.00 63.50 63.84 1qjz n PRO 15 Cb 0.54 -2.33 0.09 0.00 -0.04 0.00 0.00 33.50 31.75 1qjz n PRO 15 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1qjz n ALA 16 N 2.97 0.50 -2.31 0.55 0.00 0.10 -5.00 120.51 117.33 1qjz n ALA 16 Ca 0.17 -1.05 -0.41 0.00 0.00 0.00 0.00 53.44 52.15 1qjz n ALA 16 Cb 0.25 -0.98 -0.04 0.00 0.00 0.00 0.00 19.45 18.68 1qjz n ALA 16 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1qjz s PRO 17 N 0.15 4.64 1.03 0.00 0.04 0.75 -3.32 135.00 138.31 1qjz s PRO 17 Ca 0.16 1.51 -0.16 0.00 0.04 0.00 0.00 61.00 62.55 1qjz s PRO 17 Cb 0.32 -3.37 0.22 0.00 0.04 0.00 0.00 34.50 31.70 1qjz s PRO 17 CO -0.07 0.12 1.20 0.20 0.04 0.00 0.00 177.00 178.49 1qjz s GLY 18 N 0.20 1.66 0.08 0.56 0.00 -1.24 -4.92 107.32 103.66 1qjz s GLY 18 Ca 0.49 -0.95 -0.31 0.00 0.00 0.00 0.00 44.72 43.95 1qjz s GLY 18 CO 0.30 -0.19 1.33 -0.56 0.00 0.00 0.00 173.10 173.98 1qjz s SER 19 N -4.34 6.91 -0.17 1.64 0.01 -1.26 -4.80 113.70 111.69 1qjz s SER 19 Ca 0.70 2.20 -0.06 0.00 1.31 0.00 0.00 55.95 60.10 1qjz s SER 19 Cb -0.08 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.53 1qjz s SER 19 CO 0.54 -0.60 0.03 -0.63 0.41 0.00 0.00 173.24 172.99 1qjz s ILE 20 N 1.24 4.50 0.02 1.44 -1.09 -1.26 -5.04 121.20 121.01 1qjz s ILE 20 Ca 0.63 -0.14 -0.30 0.00 -2.23 0.00 0.00 60.65 58.60 1qjz s ILE 20 Cb -0.34 -3.01 -0.06 0.00 -1.58 0.00 0.00 42.46 37.47 1qjz s ILE 20 CO 0.29 0.47 1.36 -0.22 -1.23 0.00 0.00 174.94 175.62 1qjz s LEU 21 N 0.38 4.33 0.00 2.97 1.98 -1.26 -4.97 118.68 122.11 1qjz s LEU 21 Ca 0.01 2.12 -0.17 0.00 -2.89 0.00 0.00 54.13 53.20 1qjz s LEU 21 Cb -0.13 -3.57 0.26 0.00 0.66 0.00 0.00 46.19 43.42 1qjz s LEU 21 CO 0.01 -0.67 0.60 -1.20 -1.89 0.00 0.00 176.35 173.20 1qjz n SER 22 N 4.94 -3.48 -4.92 3.68 7.64 -1.26 -5.03 113.62 115.19 1qjz n SER 22 Ca 0.12 -0.60 -0.26 0.00 1.01 0.00 0.00 58.87 59.13 1qjz n SER 22 Cb 0.44 -0.81 0.01 0.00 -1.01 0.00 0.00 64.21 62.84 1qjz n SER 22 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1qjz s GLN 23 N -4.13 3.30 0.00 1.43 1.03 -1.26 -5.08 119.66 114.96 1qjz s GLN 23 Ca 0.46 0.02 0.00 0.00 0.04 0.00 0.00 55.36 55.88 1qjz s GLN 23 Cb -0.08 -2.39 0.00 0.00 0.03 0.00 0.00 33.01 30.57 1qjz s GLN 23 CO 0.39 -0.33 0.00 -0.35 -2.54 0.00 0.00 175.29 172.45 1qjz n PRO 24 N -2.30 0.00 -3.60 9.60 -0.04 -1.26 -4.97 135.00 132.44 1qjz n PRO 24 Ca 0.01 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.32 1qjz n PRO 24 Cb 0.56 -0.49 -0.07 0.00 -0.04 0.00 0.00 33.50 33.46 1qjz n PRO 24 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1qjz s ASN 25 N -2.16 -0.70 -1.46 3.54 0.01 -1.26 -4.91 114.94 108.00 1qjz s ASN 25 Ca 0.00 1.15 -0.01 0.00 -0.71 0.00 0.00 52.86 53.29 1qjz s ASN 25 Cb 0.00 1.11 0.00 0.00 0.41 0.00 0.00 41.25 42.77 1qjz s ASN 25 CO 0.00 -0.37 0.13 1.07 -1.51 0.00 0.00 177.10 176.42 1qjz n THR 26 N 2.07 -1.05 -2.38 1.60 5.66 -1.26 -4.77 114.28 114.14 1qjz n THR 26 Ca -0.16 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.84 1qjz n THR 26 Cb 0.56 -2.73 0.00 0.00 -1.55 0.00 0.00 70.33 66.61 1qjz n THR 26 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1qjz n GLU 27 N -2.90 0.00 -0.68 1.09 4.71 -1.26 -5.00 120.64 116.61 1qjz n GLU 27 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 56.97 1qjz n GLU 27 Cb 0.65 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 31.08 1qjz n GLU 27 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 1qjz n GLN 28 N 12.63 1.50 -4.07 3.49 1.13 -1.26 -3.98 117.38 126.82 1qjz n GLN 28 Ca 0.00 0.00 -0.27 0.00 -1.94 0.00 0.00 57.00 54.79 1qjz n GLN 28 Cb 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.32 1qjz n GLN 28 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 1qjz s SER 29 N 0.32 4.52 0.83 1.08 1.04 -1.26 -5.11 113.70 115.13 1qjz s SER 29 Ca 0.00 -1.31 -0.13 0.00 0.48 0.00 0.00 55.95 54.99 1qjz s SER 29 Cb 0.00 0.36 0.07 0.00 0.10 0.00 0.00 66.02 66.55 1qjz s SER 29 CO 0.00 -1.01 1.01 -0.81 0.98 0.00 0.00 173.24 173.41 1qjz n PRO 30 N -1.62 0.06 -4.00 4.02 -0.04 -1.26 -4.90 135.00 127.25 1qjz n PRO 30 Ca -0.05 0.09 -0.08 0.00 -0.04 0.00 0.00 63.50 63.42 1qjz n PRO 30 Cb 0.65 -2.28 -0.10 0.00 -0.04 0.00 0.00 33.50 31.73 1qjz n PRO 30 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1qjz s ALA 31 N -2.19 0.20 0.15 0.55 0.00 -1.26 -4.35 121.76 114.86 1qjz s ALA 31 Ca 0.70 -0.86 0.11 0.00 0.00 0.00 0.00 51.96 51.91 1qjz s ALA 31 Cb -0.28 0.27 -0.04 0.00 0.00 0.00 0.00 23.12 23.07 1qjz s ALA 31 CO 0.55 -0.34 -0.26 0.42 0.00 0.00 0.00 175.76 176.13 1qjz s ILE 32 N -3.17 2.30 -0.14 0.00 1.01 -0.30 -4.98 121.20 115.92 1qjz s ILE 32 Ca -0.00 -1.84 -0.17 0.00 0.00 0.00 0.00 60.65 58.64 1qjz s ILE 32 Cb 0.02 -2.05 -0.04 0.00 0.01 0.00 0.00 42.46 40.40 1qjz s ILE 32 CO -0.07 0.02 0.43 -0.69 0.00 0.00 0.00 174.94 174.63 1qjz s VAL 33 N -1.26 5.21 -0.24 2.92 1.01 -1.26 -2.10 120.40 124.68 1qjz s VAL 33 Ca 0.16 0.85 -0.03 0.00 0.00 0.00 0.00 61.98 62.96 1qjz s VAL 33 Cb -0.09 -3.77 0.08 0.00 0.00 0.00 0.00 36.38 32.60 1qjz s VAL 33 CO 0.07 0.33 0.08 -0.76 0.00 0.00 0.00 175.10 174.82 1qjz s LEU 34 N 0.67 1.26 0.64 3.92 1.43 -0.61 -4.95 118.68 121.04 1qjz s LEU 34 Ca 0.23 -1.13 -0.12 0.00 -1.03 0.00 0.00 54.13 52.08 1qjz s LEU 34 Cb -0.15 -0.59 -0.02 0.00 0.03 0.00 0.00 46.19 45.47 1qjz s LEU 34 CO 0.09 -0.37 1.05 -2.16 0.23 0.00 0.00 176.35 175.18 1qjz s PRO 35 N 1.87 3.25 0.19 1.29 0.04 -1.26 -0.59 135.00 139.78 1qjz s PRO 35 Ca 0.04 0.95 -0.19 0.00 0.04 0.00 0.00 61.00 61.85 1qjz s PRO 35 Cb -0.17 -2.03 0.04 0.00 0.04 0.00 0.00 34.50 32.38 1qjz s PRO 35 CO -0.19 -0.85 0.54 -0.59 0.04 0.00 0.00 177.00 175.95 1qjz s PHE 36 N -2.93 -0.23 -0.28 0.56 -0.71 -0.00 -4.91 117.98 109.48 1qjz s PHE 36 Ca 0.58 -0.09 -0.22 0.00 -1.04 0.00 0.00 56.93 56.16 1qjz s PHE 36 Cb -0.13 0.44 0.10 0.00 -1.21 0.00 0.00 43.02 42.22 1qjz s PHE 36 CO 0.49 -0.91 0.84 -1.14 -1.34 0.00 0.00 175.22 173.16 1qjz s GLN 37 N -3.84 0.66 -0.04 1.99 0.74 -1.26 -2.38 119.66 115.53 1qjz s GLN 37 Ca 0.07 0.89 -0.21 0.00 0.05 0.00 0.00 55.36 56.16 1qjz s GLN 37 Cb -0.01 0.26 0.04 0.00 1.10 0.00 0.00 33.01 34.40 1qjz s GLN 37 CO -0.05 -0.10 0.45 -0.59 -0.55 0.00 0.00 175.29 174.45 1qjz s PHE 38 N 0.73 -0.37 -0.48 1.67 -0.71 0.01 -4.99 117.98 113.84 1qjz s PHE 38 Ca -0.02 0.63 -0.28 0.00 -1.04 0.00 0.00 56.93 56.22 1qjz s PHE 38 Cb -0.05 0.21 -0.01 0.00 -1.21 0.00 0.00 43.02 41.96 1qjz s PHE 38 CO -0.08 -0.46 1.72 -1.21 -1.34 0.00 0.00 175.22 173.85 1qjz s GLU 39 N -1.20 3.09 -0.00 1.99 2.02 -1.26 -2.16 118.70 121.18 1qjz s GLU 39 Ca -0.12 0.90 -0.19 0.00 0.02 0.00 0.00 54.97 55.59 1qjz s GLU 39 Cb -0.03 -4.24 -0.10 0.00 0.10 0.00 0.00 34.13 29.86 1qjz s GLU 39 CO 0.06 -2.17 0.88 0.00 0.02 0.00 0.00 175.26 174.05 1qjz h ALA 40 N 13.14 -0.78 -2.25 5.21 0.00 -1.28 -3.48 119.26 129.80 1qjz h ALA 40 Ca -0.29 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.49 1qjz h ALA 40 Cb 1.15 0.26 -0.17 0.00 0.00 0.00 0.00 17.79 19.03 1qjz h ALA 40 CO 1.13 -0.73 0.34 0.99 0.00 0.00 0.00 179.25 180.98 1qjz s THR 41 N -3.85 0.00 0.46 0.00 2.01 -1.15 -5.01 115.64 108.10 1qjz s THR 41 Ca -0.10 0.00 0.06 0.00 0.31 0.00 0.00 61.69 61.96 1qjz s THR 41 Cb 0.01 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.49 1qjz s THR 41 CO 0.30 0.00 0.16 0.42 -0.69 0.00 0.00 174.62 174.81 1qjz s THR 42 N -2.34 1.90 0.32 -0.82 -4.23 -1.26 -1.36 115.64 107.85 1qjz s THR 42 Ca -0.02 -1.76 0.03 0.00 -1.18 0.00 0.00 61.69 58.76 1qjz s THR 42 Cb -0.01 -2.66 -0.02 0.00 1.34 0.00 0.00 72.50 71.16 1qjz s THR 42 CO -0.02 0.00 0.33 -0.36 -0.54 0.00 0.00 174.62 174.03 1qjz s PHE 43 N -2.71 1.46 0.00 3.99 0.40 -0.85 -4.70 117.98 115.57 1qjz s PHE 43 Ca 0.31 -1.50 0.00 0.00 -0.60 0.00 0.00 56.93 55.14 1qjz s PHE 43 Cb 0.03 -0.48 0.00 0.00 0.51 0.00 0.00 43.02 43.08 1qjz s PHE 43 CO 0.18 -0.94 0.00 0.41 0.70 0.00 0.00 175.22 175.57 1qjz n GLY 44 N -0.57 2.53 0.23 4.36 0.00 -1.26 -2.37 105.19 108.11 1qjz n GLY 44 Ca 0.05 -0.14 -0.10 0.00 0.00 0.00 0.00 46.02 45.83 1qjz n GLY 44 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1qjz h THR 45 N 0.00 1.26 -1.83 2.61 1.35 -1.81 -2.55 112.91 111.94 1qjz h THR 45 Ca 0.00 -0.98 0.02 0.00 -0.55 0.00 0.00 66.41 64.90 1qjz h THR 45 Cb 0.00 1.02 -0.00 0.00 -1.73 0.00 0.00 68.15 67.44 1qjz h THR 45 CO 0.00 0.34 0.09 0.00 -0.25 0.00 0.00 175.52 175.70 1qjz n ALA 46 N -2.41 -0.44 -1.72 6.62 0.00 -1.26 -4.43 120.51 116.87 1qjz n ALA 46 Ca 0.00 -0.19 -0.34 0.00 0.00 0.00 0.00 53.44 52.91 1qjz n ALA 46 Cb 0.28 0.11 -0.06 0.00 0.00 0.00 0.00 19.45 19.78 1qjz n ALA 46 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1qjz n GLU 47 N -0.12 1.58 -2.58 0.00 2.13 -1.26 -4.36 120.64 116.03 1qjz n GLU 47 Ca -0.01 -2.24 -0.43 0.00 0.66 0.00 0.00 57.16 55.14 1qjz n GLU 47 Cb 0.10 -3.42 0.00 0.00 0.27 0.00 0.00 31.44 28.40 1qjz n GLU 47 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 1qjz n THR 48 N 7.11 3.99 -3.80 6.31 -1.04 -1.24 -4.82 114.28 120.78 1qjz n THR 48 Ca 0.47 -4.16 -0.34 0.00 -2.04 0.00 0.00 64.05 57.97 1qjz n THR 48 Cb 0.44 -2.40 -0.11 0.00 -1.82 0.00 0.00 70.33 66.44 1qjz n THR 48 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1qjz s ALA 49 N 3.36 3.42 0.00 2.41 0.00 -1.24 -3.67 121.76 126.04 1qjz s ALA 49 Ca 0.50 -3.13 0.00 0.00 0.00 0.00 0.00 51.96 49.33 1qjz s ALA 49 Cb 0.04 -2.47 0.00 0.00 0.00 0.00 0.00 23.12 20.69 1qjz s ALA 49 CO 0.04 -2.02 0.00 0.00 0.00 0.00 0.00 175.76 173.78 1qjz n ALA 50 N 3.58 0.00 -2.66 0.00 0.00 -1.26 -4.91 120.51 115.26 1qjz n ALA 50 Ca 0.06 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.40 1qjz n ALA 50 Cb 0.37 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.75 1qjz n ALA 50 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1qjz s GLN 51 N -0.73 0.94 0.02 0.00 0.00 -1.26 -4.57 119.66 114.05 1qjz s GLN 51 Ca 0.00 -0.96 0.00 0.00 -0.00 0.00 0.00 55.36 54.41 1qjz s GLN 51 Cb 0.00 0.37 -0.02 0.00 0.00 0.00 0.00 33.01 33.36 1qjz s GLN 51 CO 0.00 -0.32 -0.04 0.08 0.00 0.00 0.00 175.29 175.01 1qjz s VAL 52 N -3.87 0.19 -0.08 3.63 1.01 -0.92 -5.02 120.40 115.34 1qjz s VAL 52 Ca 0.07 -0.85 0.04 0.00 0.00 0.00 0.00 61.98 61.24 1qjz s VAL 52 Cb 0.04 -0.31 0.00 0.00 0.00 0.00 0.00 36.38 36.11 1qjz s VAL 52 CO -0.09 -0.42 -0.20 -0.55 0.00 0.00 0.00 175.10 173.85 1qjz s SER 53 N -1.32 2.55 0.27 3.32 0.15 -1.26 -0.46 113.70 116.96 1qjz s SER 53 Ca -0.13 -0.45 0.02 0.00 0.70 0.00 0.00 55.95 56.09 1qjz s SER 53 Cb -0.09 -1.04 0.38 0.00 -1.71 0.00 0.00 66.02 63.55 1qjz s SER 53 CO -0.01 0.13 1.70 -0.07 1.20 0.00 0.00 173.24 176.20 1qjz h LEU 54 N 6.64 0.50 0.00 3.45 3.38 -1.67 0.63 115.31 128.23 1qjz h LEU 54 Ca -0.26 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1qjz h LEU 54 Cb 1.21 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1qjz h LEU 54 CO 0.47 0.76 0.00 1.67 0.09 0.00 0.00 178.44 181.44 1qjz n GLN 55 N -4.11 0.00 0.00 1.13 7.27 -1.26 -2.27 117.38 118.14 1qjz n GLN 55 Ca -0.00 0.44 0.00 0.00 0.07 0.00 0.00 57.00 57.50 1qjz n GLN 55 Cb 0.42 -1.50 0.00 0.00 2.41 0.00 0.00 30.24 31.57 1qjz n GLN 55 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 1qjz n THR 56 N -1.44 0.00 -1.74 1.69 -2.24 -0.65 -4.99 114.28 104.91 1qjz n THR 56 Ca 0.00 -0.03 -0.42 0.00 -2.27 0.00 0.00 64.05 61.33 1qjz n THR 56 Cb 0.00 1.63 -0.03 0.00 -2.10 0.00 0.00 70.33 69.83 1qjz n THR 56 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qjz s ALA 57 N -0.02 2.69 0.09 6.98 0.00 0.12 -4.87 121.76 126.75 1qjz s ALA 57 Ca 0.00 0.53 -0.17 0.00 0.00 0.00 0.00 51.96 52.32 1qjz s ALA 57 Cb 0.00 -4.08 -0.04 0.00 0.00 0.00 0.00 23.12 19.00 1qjz s ALA 57 CO 0.00 -2.88 0.92 -0.25 0.00 0.00 0.00 175.76 173.55 1qjz n ASP 58 N 11.56 -0.58 -0.32 0.00 8.00 -1.26 0.67 116.55 134.62 1qjz n ASP 58 Ca 0.28 1.05 0.11 0.00 0.71 0.00 0.00 54.79 56.94 1qjz n ASP 58 Cb 0.46 -0.17 0.34 0.00 -0.02 0.00 0.00 41.12 41.73 1qjz n ASP 58 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1qjz h PRO 59 N 0.00 0.75 0.69 -0.24 0.13 -1.98 0.17 132.00 131.52 1qjz h PRO 59 Ca 0.09 -0.05 -0.03 0.00 -0.87 0.00 0.00 66.00 65.14 1qjz h PRO 59 Cb 0.22 -0.17 0.01 0.00 0.13 0.00 0.00 31.00 31.19 1qjz h PRO 59 CO -0.51 0.50 -0.33 0.82 -0.23 0.00 0.00 178.00 178.25 1qjz h ILE 60 N 0.77 0.13 -0.96 -3.56 2.04 -0.09 -3.19 117.51 112.66 1qjz h ILE 60 Ca 0.50 -0.28 0.16 0.00 1.00 0.00 0.00 64.86 66.24 1qjz h ILE 60 Cb 0.74 0.18 -0.09 0.00 -0.74 0.00 0.00 36.82 36.91 1qjz h ILE 60 CO -0.26 0.02 0.61 0.71 0.00 0.00 0.00 178.15 179.22 1qjz h THR 61 N -1.16 0.79 -0.58 -0.27 1.35 -0.62 0.23 112.91 112.65 1qjz h THR 61 Ca -0.09 -0.25 0.09 0.00 -0.55 0.00 0.00 66.41 65.61 1qjz h THR 61 Cb 0.73 -0.02 -0.07 0.00 -1.73 0.00 0.00 68.15 67.06 1qjz h THR 61 CO 0.15 0.14 0.18 0.07 -0.25 0.00 0.00 175.52 175.81 1qjz h LYS 62 N 0.74 0.34 0.00 4.72 2.10 -0.67 1.49 116.57 125.29 1qjz h LYS 62 Ca 0.51 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 59.14 1qjz h LYS 62 Cb 0.80 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 32.06 1qjz h LYS 62 CO -0.27 0.22 0.00 -0.07 -2.00 0.00 0.00 179.45 177.33 1qjz h LEU 63 N 0.35 0.00 0.00 7.07 3.38 -0.58 -2.89 115.31 122.64 1qjz h LEU 63 Ca 0.30 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.11 1qjz h LEU 63 Cb 0.38 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 1qjz h LEU 63 CO -0.32 0.00 -1.39 0.35 0.09 0.00 0.00 178.44 177.17 1qjz n THR 64 N -2.82 1.16 -0.36 0.22 -2.24 0.24 -4.52 114.28 105.95 1qjz n THR 64 Ca 0.02 -0.68 0.04 0.00 -2.27 0.00 0.00 64.05 61.16 1qjz n THR 64 Cb 0.34 -0.72 0.11 0.00 -2.10 0.00 0.00 70.33 67.96 1qjz n THR 64 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qjz n ALA 65 N -2.38 0.14 1.34 6.98 0.00 0.44 -0.88 120.51 126.14 1qjz n ALA 65 Ca -0.09 1.06 0.11 0.00 0.00 0.00 0.00 53.44 54.52 1qjz n ALA 65 Cb 0.82 -0.59 0.65 0.00 0.00 0.00 0.00 19.45 20.33 1qjz n ALA 65 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1qjz n PRO 66 N -5.57 0.62 -4.85 0.00 -0.04 -1.26 -4.70 135.00 119.19 1qjz n PRO 66 Ca 0.14 0.02 -0.27 0.00 -0.04 0.00 0.00 63.50 63.35 1qjz n PRO 66 Cb 0.47 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.28 1qjz n PRO 66 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1qjz s TYR 67 N -2.14 1.96 -1.75 0.54 2.02 -0.06 0.10 117.35 118.02 1qjz s TYR 67 Ca 0.31 -0.38 0.22 0.00 -0.37 0.00 0.00 57.07 56.85 1qjz s TYR 67 Cb 0.15 -1.20 0.68 0.00 -0.40 0.00 0.00 41.96 41.19 1qjz s TYR 67 CO 0.28 0.05 1.57 2.89 -1.57 0.00 0.00 175.55 178.78 1qjz n ARG 68 N 2.09 3.03 -3.66 -0.62 1.85 0.89 -4.62 116.66 115.63 1qjz n ARG 68 Ca -0.16 -2.73 -0.05 0.00 -1.00 0.00 0.00 57.85 53.90 1qjz n ARG 68 Cb 0.53 -1.67 -0.07 0.00 -1.05 0.00 0.00 32.46 30.19 1qjz n ARG 68 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 1qjz s HIS 69 N -1.26 -1.04 -0.30 2.89 5.04 -1.02 -3.50 115.29 116.10 1qjz s HIS 69 Ca 0.50 1.92 -0.07 0.00 -1.54 0.00 0.00 55.06 55.87 1qjz s HIS 69 Cb 0.28 0.55 0.18 0.00 0.04 0.00 0.00 32.58 33.63 1qjz s HIS 69 CO 0.31 -0.55 0.81 0.00 -2.34 0.00 0.00 174.74 172.96 1qjz s ALA 70 N 2.49 -2.75 0.04 1.58 0.00 -0.20 -0.32 121.76 122.61 1qjz s ALA 70 Ca -0.05 1.72 -0.13 0.00 0.00 0.00 0.00 51.96 53.50 1qjz s ALA 70 Cb -0.11 -2.27 -0.06 0.00 0.00 0.00 0.00 23.12 20.68 1qjz s ALA 70 CO -0.16 -1.34 0.42 1.14 0.00 0.00 0.00 175.76 175.82 1qjz s GLN 71 N 2.87 3.87 0.89 0.00 -2.07 -1.17 -1.83 119.66 122.22 1qjz s GLN 71 Ca 0.09 0.34 -0.11 0.00 -1.82 0.00 0.00 55.36 53.86 1qjz s GLN 71 Cb -0.12 -3.11 0.12 0.00 -1.09 0.00 0.00 33.01 28.81 1qjz s GLN 71 CO -0.17 0.62 1.09 0.42 -1.32 0.00 0.00 175.29 175.94 1qjz s ILE 72 N -1.23 2.71 0.10 3.63 1.01 -0.56 -0.72 121.20 126.14 1qjz s ILE 72 Ca 0.28 0.23 0.00 0.00 0.00 0.00 0.00 60.65 61.16 1qjz s ILE 72 Cb -0.16 -2.65 0.00 0.00 0.01 0.00 0.00 42.46 39.66 1qjz s ILE 72 CO 0.16 -0.30 0.00 0.52 0.00 0.00 0.00 174.94 175.32 1qjz n VAL 73 N -3.90 0.74 -4.16 2.92 0.31 -0.61 -4.70 118.33 108.93 1qjz n VAL 73 Ca 0.08 0.24 -0.17 0.00 -0.01 0.00 0.00 64.34 64.48 1qjz n VAL 73 Cb 0.54 -1.24 -0.12 0.00 -0.91 0.00 0.00 33.84 32.12 1qjz n VAL 73 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 1qjz s GLU 74 N -1.72 0.80 -0.16 5.55 -1.05 -1.20 -4.98 118.70 115.93 1qjz s GLU 74 Ca 0.00 -0.97 -0.12 0.00 -0.15 0.00 0.00 54.97 53.73 1qjz s GLU 74 Cb 0.00 -0.75 0.05 0.00 -0.44 0.00 0.00 34.13 32.99 1qjz s GLU 74 CO 0.00 0.16 0.42 0.00 0.95 0.00 0.00 175.26 176.79 1qjz s LYS 76 N 0.73 2.90 -0.40 0.00 1.02 -0.89 -2.19 119.74 120.90 1qjz s LYS 76 Ca -0.04 -0.85 -0.14 0.00 0.02 0.00 0.00 55.97 54.96 1qjz s LYS 76 Cb -0.05 -2.22 0.02 0.00 -0.52 0.00 0.00 37.83 35.06 1qjz s LYS 76 CO -0.05 0.20 0.28 0.00 -0.92 0.00 0.00 175.35 174.85 1qjz s ALA 77 N 0.30 3.43 0.02 5.17 0.00 0.15 -0.14 121.76 130.68 1qjz s ALA 77 Ca -0.17 -1.72 0.07 0.00 0.00 0.00 0.00 51.96 50.14 1qjz s ALA 77 Cb -0.17 -2.81 -0.03 0.00 0.00 0.00 0.00 23.12 20.10 1qjz s ALA 77 CO 0.08 -1.44 -0.20 0.42 0.00 0.00 0.00 175.76 174.62 1qjz s ILE 78 N 1.65 2.62 -0.20 0.00 1.01 -1.26 0.14 121.20 125.16 1qjz s ILE 78 Ca 0.04 -1.13 -0.02 0.00 0.00 0.00 0.00 60.65 59.53 1qjz s ILE 78 Cb -0.19 -2.05 -0.00 0.00 0.01 0.00 0.00 42.46 40.22 1qjz s ILE 78 CO 0.09 0.42 -0.08 -0.76 0.00 0.00 0.00 174.94 174.60 1qjz s LEU 79 N -1.17 2.71 -0.19 2.97 1.43 0.22 -1.00 118.68 123.65 1qjz s LEU 79 Ca 0.13 -0.44 0.01 0.00 -1.03 0.00 0.00 54.13 52.80 1qjz s LEU 79 Cb -0.10 -1.67 0.03 0.00 0.03 0.00 0.00 46.19 44.47 1qjz s LEU 79 CO 0.03 -0.00 -0.17 -0.89 0.23 0.00 0.00 176.35 175.55 1qjz s THR 80 N 1.35 1.99 0.44 5.49 2.01 -0.64 -1.42 115.64 124.85 1qjz s THR 80 Ca 0.04 -1.02 -0.13 0.00 0.31 0.00 0.00 61.69 60.89 1qjz s THR 80 Cb -0.14 -1.87 -0.07 0.00 0.01 0.00 0.00 72.50 70.42 1qjz s THR 80 CO -0.05 0.41 0.84 -2.16 -0.69 0.00 0.00 174.62 172.98 1qjz s PRO 81 N 1.29 3.86 0.41 4.92 0.04 -1.26 -1.87 135.00 142.39 1qjz s PRO 81 Ca 0.02 0.66 0.07 0.00 0.04 0.00 0.00 61.00 61.80 1qjz s PRO 81 Cb -0.14 -2.30 -0.04 0.00 0.04 0.00 0.00 34.50 32.05 1qjz s PRO 81 CO -0.11 -0.10 0.25 0.95 0.04 0.00 0.00 177.00 178.03 1qjz s THR 82 N -2.42 2.48 0.43 1.26 -4.23 -0.50 -4.96 115.64 107.69 1qjz s THR 82 Ca 0.54 -1.57 0.17 0.00 -1.18 0.00 0.00 61.69 59.65 1qjz s THR 82 Cb -0.10 -3.00 0.37 0.00 1.34 0.00 0.00 72.50 71.11 1qjz s THR 82 CO 0.30 -0.01 1.89 -2.24 -0.54 0.00 0.00 174.62 174.01 1qjz h ASP 83 N 1.30 0.39 -1.00 3.99 3.04 -1.91 0.24 116.42 122.46 1qjz h ASP 83 Ca -0.42 0.03 0.15 0.00 -3.24 0.00 0.00 57.03 53.55 1qjz h ASP 83 Cb 1.26 -0.04 -0.09 0.00 -1.04 0.00 0.00 39.33 39.41 1qjz h ASP 83 CO 0.65 0.18 0.62 -0.07 -2.04 0.00 0.00 179.24 178.58 1qjz h LEU 84 N 0.40 0.86 -1.95 0.15 4.07 -1.87 0.72 115.31 117.69 1qjz h LEU 84 Ca 0.42 0.07 0.18 0.00 0.08 0.00 0.00 57.88 58.64 1qjz h LEU 84 Cb 1.04 -0.10 -0.03 0.00 1.08 0.00 0.00 40.66 42.66 1qjz h LEU 84 CO -0.15 0.39 0.47 0.00 -1.08 0.00 0.00 178.44 178.08 1qjz h ALA 85 N 1.59 2.56 0.24 1.53 0.00 -0.43 0.24 119.26 124.99 1qjz h ALA 85 Ca 0.53 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.41 1qjz h ALA 85 Cb 0.68 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1qjz h ALA 85 CO -0.31 -0.74 -0.12 0.28 0.00 0.00 0.00 179.25 178.36 1qjz h VAL 86 N 0.05 0.00 -0.80 0.00 2.07 -0.96 -1.23 116.25 115.37 1qjz h VAL 86 Ca 0.32 -0.08 0.15 0.00 0.82 0.00 0.00 66.70 67.90 1qjz h VAL 86 Cb 1.20 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.91 1qjz h VAL 86 CO -0.02 0.00 0.53 0.77 0.02 0.00 0.00 177.57 178.87 1qjz h SER 87 N -0.41 0.46 -2.33 0.57 4.64 -1.35 -2.75 113.55 112.38 1qjz h SER 87 Ca -0.03 0.03 -0.36 0.00 -0.47 0.00 0.00 61.79 60.96 1qjz h SER 87 Cb 0.25 -0.06 -0.35 0.00 -0.31 0.00 0.00 62.40 61.93 1qjz h SER 87 CO 0.05 0.23 -0.66 0.20 -0.87 0.00 0.00 176.83 175.79 1qjz s ASN 88 N -5.88 1.90 0.79 4.97 -0.87 0.77 -4.96 114.94 111.67 1qjz s ASN 88 Ca -0.08 -0.72 -0.14 0.00 -1.57 0.00 0.00 52.86 50.34 1qjz s ASN 88 Cb 0.21 0.35 0.03 0.00 -0.02 0.00 0.00 41.25 41.83 1qjz s ASN 88 CO 0.77 -0.38 0.92 -2.65 -2.57 0.00 0.00 177.10 173.19 1qjz n PRO 89 N 5.30 0.24 -3.70 -0.60 -0.02 -1.01 -4.11 135.00 131.10 1qjz n PRO 89 Ca -0.03 0.14 -0.12 0.00 -2.02 0.00 0.00 63.50 61.47 1qjz n PRO 89 Cb 0.46 -2.20 -0.12 0.00 -0.02 0.00 0.00 33.50 31.62 1qjz n PRO 89 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1qjz s LEU 90 N -3.41 0.05 -0.19 2.45 1.98 -1.24 -4.94 118.68 113.38 1qjz s LEU 90 Ca 0.70 0.64 -0.09 0.00 -2.89 0.00 0.00 54.13 52.49 1qjz s LEU 90 Cb -0.31 0.86 -0.05 0.00 0.66 0.00 0.00 46.19 47.36 1qjz s LEU 90 CO 0.54 -0.20 0.10 0.42 -1.89 0.00 0.00 176.35 175.32 1qjz s THR 91 N 1.72 5.12 -0.06 3.68 -4.23 -1.25 -4.29 115.64 116.32 1qjz s THR 91 Ca -0.06 0.09 0.04 0.00 -1.18 0.00 0.00 61.69 60.58 1qjz s THR 91 Cb -0.11 -3.32 -0.02 0.00 1.34 0.00 0.00 72.50 70.39 1qjz s THR 91 CO -0.10 0.45 -0.17 -0.69 -0.54 0.00 0.00 174.62 173.58 1qjz s VAL 92 N 0.34 2.80 -0.87 2.29 1.01 -0.83 -4.13 120.40 121.01 1qjz s VAL 92 Ca 0.06 -0.81 -0.01 0.00 0.00 0.00 0.00 61.98 61.22 1qjz s VAL 92 Cb -0.12 -2.09 0.21 0.00 0.00 0.00 0.00 36.38 34.39 1qjz s VAL 92 CO -0.01 0.58 0.75 -0.31 0.00 0.00 0.00 175.10 176.11 1qjz s TYR 93 N -0.47 3.86 0.80 5.22 2.02 -0.16 -1.79 117.35 126.83 1qjz s TYR 93 Ca 0.06 -3.04 -0.11 0.00 -0.37 0.00 0.00 57.07 53.61 1qjz s TYR 93 Cb -0.12 -3.21 0.07 0.00 -0.40 0.00 0.00 41.96 38.30 1qjz s TYR 93 CO 0.02 -0.73 1.09 -0.51 -1.57 0.00 0.00 175.55 173.85 1qjz s LEU 94 N -1.30 2.63 0.00 -1.29 1.02 -1.03 -1.21 118.68 117.49 1qjz s LEU 94 Ca 0.27 1.37 0.00 0.00 0.02 0.00 0.00 54.13 55.79 1qjz s LEU 94 Cb -0.08 -4.00 0.00 0.00 0.02 0.00 0.00 46.19 42.14 1qjz s LEU 94 CO -0.12 -1.99 0.00 0.00 0.02 0.00 0.00 176.35 174.26 1qjz n ALA 95 N -3.45 0.00 -2.89 4.21 0.00 -1.26 -1.41 120.51 115.71 1qjz n ALA 95 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.16 1qjz n ALA 95 Cb 0.56 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.90 1qjz n ALA 95 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1qjz s TRP 96 N -0.20 3.17 0.04 0.00 0.52 -1.26 0.17 118.94 121.39 1qjz s TRP 96 Ca 0.00 -0.12 -0.08 0.00 0.02 0.00 0.00 56.10 55.92 1qjz s TRP 96 Cb 0.00 -2.14 -0.00 0.00 -1.15 0.00 0.00 33.47 30.18 1qjz s TRP 96 CO 0.00 -0.05 0.16 0.14 0.02 0.00 0.00 176.95 177.22 1qjz s VAL 97 N 0.86 0.12 0.86 4.03 -7.23 0.12 -4.97 120.40 114.19 1qjz s VAL 97 Ca 0.03 -0.97 -0.11 0.00 -1.81 0.00 0.00 61.98 59.12 1qjz s VAL 97 Cb -0.14 -0.92 0.11 0.00 0.56 0.00 0.00 36.38 35.99 1qjz s VAL 97 CO 0.02 -0.54 1.09 -2.16 -0.31 0.00 0.00 175.10 173.21 1qjz s PRO 98 N -2.63 1.52 0.65 4.82 0.04 -1.26 -0.99 135.00 137.15 1qjz s PRO 98 Ca -0.05 0.88 0.31 0.00 0.04 0.00 0.00 61.00 62.19 1qjz s PRO 98 Cb -0.01 -1.83 1.70 0.00 0.04 0.00 0.00 34.50 34.39 1qjz s PRO 98 CO -0.04 -2.07 1.99 0.00 0.04 0.00 0.00 177.00 176.91 1qjz h ALA 99 N -1.43 1.48 0.00 8.56 0.00 -1.42 -1.65 119.26 124.81 1qjz h ALA 99 Ca -0.48 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 1qjz h ALA 99 Cb 1.27 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 1qjz h ALA 99 CO 0.54 -0.35 -0.46 -0.91 0.00 0.00 0.00 179.25 178.07 1qjz h ASN 100 N 0.00 0.00 -2.46 0.00 4.21 -1.90 -3.46 115.58 111.97 1qjz h ASN 100 Ca 0.04 0.00 -0.55 0.00 1.21 0.00 0.00 56.30 57.00 1qjz h ASN 100 Cb 0.65 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.85 1qjz h ASN 100 CO -0.00 0.06 1.21 -0.55 -1.29 0.00 0.00 177.43 176.86 1qjz s SER 101 N -5.90 6.36 0.07 5.81 0.15 -0.62 -4.84 113.70 114.72 1qjz s SER 101 Ca 0.04 2.24 0.10 0.00 0.70 0.00 0.00 55.95 59.02 1qjz s SER 101 Cb 0.07 -2.53 0.46 0.00 -1.71 0.00 0.00 66.02 62.31 1qjz s SER 101 CO 0.73 -1.19 1.32 -0.81 1.20 0.00 0.00 173.24 174.48 1qjz n PRO 102 N 7.62 0.04 -1.55 5.44 -0.04 -1.26 -4.85 135.00 140.40 1qjz n PRO 102 Ca 0.20 0.42 -0.60 0.00 -0.04 0.00 0.00 63.50 63.48 1qjz n PRO 102 Cb 0.43 -1.59 -0.08 0.00 -0.04 0.00 0.00 33.50 32.21 1qjz n PRO 102 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1qjz n ALA 103 N -1.56 -3.19 -2.81 0.55 0.00 -1.26 -4.98 120.51 107.26 1qjz n ALA 103 Ca 0.01 0.58 -0.26 0.00 0.00 0.00 0.00 53.44 53.77 1qjz n ALA 103 Cb 0.09 -1.80 -0.03 0.00 0.00 0.00 0.00 19.45 17.71 1qjz n ALA 103 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1qjz s THR 104 N 0.53 5.22 0.23 0.00 -4.23 -1.26 -5.00 115.64 111.13 1qjz s THR 104 Ca 0.93 -0.51 -0.07 0.00 -1.18 0.00 0.00 61.69 60.86 1qjz s THR 104 Cb -1.30 -3.77 0.23 0.00 1.34 0.00 0.00 72.50 69.00 1qjz s THR 104 CO 0.61 -0.23 1.67 -0.65 -0.54 0.00 0.00 174.62 175.48 1qjz h PRO 105 N 1.75 0.19 -0.57 3.99 0.11 -1.88 -1.14 132.00 134.45 1qjz h PRO 105 Ca -0.49 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.64 1qjz h PRO 105 Cb 1.20 -0.04 -0.04 0.00 0.11 0.00 0.00 31.00 32.23 1qjz h PRO 105 CO 0.66 0.13 0.34 1.79 -0.21 0.00 0.00 178.00 180.71 1qjz h THR 106 N 0.20 1.05 -0.01 -1.15 1.35 -1.92 -2.08 112.91 110.35 1qjz h THR 106 Ca 0.39 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 66.02 1qjz h THR 106 Cb 0.66 0.32 -0.00 0.00 -1.73 0.00 0.00 68.15 67.39 1qjz h THR 106 CO -0.54 0.12 0.10 1.56 -0.25 0.00 0.00 175.52 176.51 1qjz h GLN 107 N 0.67 0.00 0.00 4.72 4.20 -1.60 -3.35 115.11 119.75 1qjz h GLN 107 Ca 0.23 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.94 1qjz h GLN 107 Cb 0.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.82 1qjz h GLN 107 CO -0.11 0.00 0.00 -0.89 -0.67 0.00 0.00 178.83 177.16 1qjz n ILE 108 N -3.13 0.00 -0.40 2.54 2.08 -0.78 0.45 119.36 120.11 1qjz n ILE 108 Ca -0.02 0.00 -0.07 0.00 0.56 0.00 0.00 62.75 63.22 1qjz n ILE 108 Cb 0.17 0.00 -0.04 0.00 -0.75 0.00 0.00 39.64 39.02 1qjz n ILE 108 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 1qjz h LEU 109 N 0.00 -1.86 -2.87 1.39 3.38 -1.85 -0.99 115.31 112.50 1qjz h LEU 109 Ca 0.00 0.32 -0.03 0.00 0.09 0.00 0.00 57.88 58.26 1qjz h LEU 109 Cb 0.00 0.87 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 1qjz h LEU 109 CO 0.00 -0.26 0.04 -2.11 0.09 0.00 0.00 178.44 176.20 1qjz n ARG 110 N -5.35 1.07 -3.64 1.13 1.85 0.17 -4.53 116.66 107.37 1qjz n ARG 110 Ca 0.05 -0.14 -0.28 0.00 -1.00 0.00 0.00 57.85 56.49 1qjz n ARG 110 Cb 0.32 -1.06 -0.11 0.00 -1.05 0.00 0.00 32.46 30.56 1qjz n ARG 110 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1qjz s VAL 111 N -0.20 1.57 0.00 8.89 1.01 -0.38 -5.05 120.40 126.24 1qjz s VAL 111 Ca 0.03 -3.43 0.00 0.00 0.00 0.00 0.00 61.98 58.58 1qjz s VAL 111 Cb 0.02 -2.05 0.00 0.00 0.00 0.00 0.00 36.38 34.35 1qjz s VAL 111 CO 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 175.10 173.98 1qjz n TYR 112 N 2.44 0.00 1.61 5.22 9.36 -1.26 -0.72 117.16 133.81 1qjz n TYR 112 Ca 0.25 0.00 0.11 0.00 3.32 0.00 0.00 57.90 61.58 1qjz n TYR 112 Cb 0.42 0.00 0.51 0.00 -0.63 0.00 0.00 39.34 39.63 1qjz n TYR 112 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1qjz n GLY 113 N 0.00 -0.34 3.58 2.98 0.00 -1.24 -4.89 105.19 105.28 1qjz n GLY 113 Ca 0.00 -0.29 -0.41 0.00 0.00 0.00 0.00 46.02 45.32 1qjz n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qjz n GLY 114 N 1.00 -0.48 3.23 -0.02 0.00 0.10 -4.57 105.19 104.45 1qjz n GLY 114 Ca 0.16 0.08 -0.13 0.00 0.00 0.00 0.00 46.02 46.13 1qjz n GLY 114 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1qjz s GLN 115 N -2.03 0.99 -0.10 1.61 -0.21 -0.50 -4.91 119.66 114.51 1qjz s GLN 115 Ca 0.65 -1.41 0.03 0.00 0.02 0.00 0.00 55.36 54.65 1qjz s GLN 115 Cb -0.54 -0.51 0.00 0.00 1.00 0.00 0.00 33.01 32.96 1qjz s GLN 115 CO 0.56 0.05 -0.21 0.45 -2.12 0.00 0.00 175.29 174.01 1qjz s SER 116 N -3.11 2.85 -0.12 5.90 0.15 -1.26 -2.48 113.70 115.63 1qjz s SER 116 Ca 0.15 -0.52 0.00 0.00 0.70 0.00 0.00 55.95 56.29 1qjz s SER 116 Cb 0.03 -1.30 0.02 0.00 -1.71 0.00 0.00 66.02 63.06 1qjz s SER 116 CO -0.01 0.12 -0.11 -0.36 1.20 0.00 0.00 173.24 174.09 1qjz s PHE 117 N 0.47 1.77 0.00 3.44 0.08 -0.74 -4.98 117.98 118.02 1qjz s PHE 117 Ca -0.17 -0.92 -0.05 0.00 0.12 0.00 0.00 56.93 55.91 1qjz s PHE 117 Cb -0.17 -1.37 -0.03 0.00 -0.57 0.00 0.00 43.02 40.88 1qjz s PHE 117 CO 0.07 -0.56 0.76 0.28 -0.10 0.00 0.00 175.22 175.67 1qjz h VAL 118 N 6.11 0.00 -2.77 -0.44 2.07 -1.89 -2.20 116.25 117.13 1qjz h VAL 118 Ca -0.33 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.12 1qjz h VAL 118 Cb 1.14 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1qjz h VAL 118 CO 0.46 0.00 -0.52 0.18 0.02 0.00 0.00 177.57 177.71 1qjz n LEU 119 N -2.69 -4.26 0.00 2.57 4.77 -1.26 -3.63 117.00 112.50 1qjz n LEU 119 Ca -0.02 1.80 0.00 0.00 -0.03 0.00 0.00 56.01 57.75 1qjz n LEU 119 Cb 0.07 -2.09 0.00 0.00 -2.33 0.00 0.00 43.42 39.07 1qjz n LEU 119 CO 0.06 -0.90 0.00 0.61 -1.33 0.00 0.00 177.39 175.83 1qjz n GLY 120 N 0.95 -0.31 6.74 -0.72 0.00 -1.26 -3.59 105.19 107.00 1qjz n GLY 120 Ca 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.93 1qjz n GLY 120 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qjz n GLY 121 N 0.00 1.51 0.09 -0.02 0.00 -0.50 -3.53 105.19 102.75 1qjz n GLY 121 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1qjz n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qjz n ALA 122 N 9.08 1.38 -0.26 4.61 0.00 -1.26 -4.59 120.51 129.48 1qjz n ALA 122 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 1qjz n ALA 122 Cb 0.00 0.00 0.19 0.00 0.00 0.00 0.00 19.45 19.64 1qjz n ALA 122 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1qjz h ILE 123 N 0.00 0.59 -3.41 0.00 1.08 -2.00 -3.41 117.51 110.37 1qjz h ILE 123 Ca 0.00 -0.13 -0.53 0.00 -0.39 0.00 0.00 64.86 63.82 1qjz h ILE 123 Cb 0.00 0.19 -0.00 0.00 -3.07 0.00 0.00 36.82 33.94 1qjz h ILE 123 CO 0.00 0.07 0.49 -0.44 -0.69 0.00 0.00 178.15 177.57 1qjz s SER 124 N -5.29 7.22 0.38 1.72 0.01 -1.23 -4.90 113.70 111.62 1qjz s SER 124 Ca -0.12 1.99 0.27 0.00 1.31 0.00 0.00 55.95 59.40 1qjz s SER 124 Cb 0.21 -2.59 0.92 0.00 0.21 0.00 0.00 66.02 64.77 1qjz s SER 124 CO 0.76 -0.31 1.79 0.00 0.41 0.00 0.00 173.24 175.89 1qjz h ALA 125 N 5.98 1.00 -4.63 1.44 0.00 -1.88 -3.45 119.26 117.72 1qjz h ALA 125 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1qjz h ALA 125 Cb 1.21 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1qjz h ALA 125 CO 0.76 0.00 -0.49 0.00 0.00 0.00 0.00 179.25 179.52 1qjz n ALA 126 N -1.95 -1.60 -3.49 0.00 0.00 -1.26 -5.02 120.51 107.19 1qjz n ALA 126 Ca 0.03 0.41 -0.07 0.00 0.00 0.00 0.00 53.44 53.81 1qjz n ALA 126 Cb 0.36 -1.26 -0.02 0.00 0.00 0.00 0.00 19.45 18.53 1qjz n ALA 126 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1qjz n LYS 127 N 2.00 0.30 -2.30 0.00 4.76 -1.26 -4.96 118.16 116.70 1qjz n LYS 127 Ca -0.04 -1.33 -0.40 0.00 -2.87 0.00 0.00 58.31 53.67 1qjz n LYS 127 Cb 0.07 1.25 -0.03 0.00 -1.84 0.00 0.00 35.03 34.47 1qjz n LYS 127 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1qjz s THR 128 N -2.61 3.12 -0.03 -0.18 -4.23 -1.25 -4.63 115.64 105.84 1qjz s THR 128 Ca 0.14 1.08 0.01 0.00 -1.18 0.00 0.00 61.69 61.75 1qjz s THR 128 Cb -0.00 -3.67 0.01 0.00 1.34 0.00 0.00 72.50 70.18 1qjz s THR 128 CO 0.10 0.22 -0.05 -0.63 -0.54 0.00 0.00 174.62 173.72 1qjz s ILE 129 N -1.22 0.53 0.01 2.99 1.01 -0.50 -1.01 121.20 123.01 1qjz s ILE 129 Ca 0.49 -0.19 0.06 0.00 0.00 0.00 0.00 60.65 61.02 1qjz s ILE 129 Cb -0.34 -0.51 -0.03 0.00 0.01 0.00 0.00 42.46 41.58 1qjz s ILE 129 CO 0.45 0.20 -0.16 -1.61 0.00 0.00 0.00 174.94 173.81 1qjz s GLU 130 N 0.49 2.22 -0.17 2.79 2.02 -1.12 0.70 118.70 125.62 1qjz s GLU 130 Ca -0.06 -0.89 -0.03 0.00 0.02 0.00 0.00 54.97 54.01 1qjz s GLU 130 Cb -0.10 -2.25 0.05 0.00 0.10 0.00 0.00 34.13 31.93 1qjz s GLU 130 CO 0.00 0.57 0.03 0.08 0.02 0.00 0.00 175.26 175.96 1qjz s VAL 131 N -0.88 0.49 0.08 2.63 1.01 0.38 -2.15 120.40 121.96 1qjz s VAL 131 Ca 0.14 -0.43 -0.31 0.00 0.00 0.00 0.00 61.98 61.38 1qjz s VAL 131 Cb -0.11 -0.94 -0.07 0.00 0.00 0.00 0.00 36.38 35.26 1qjz s VAL 131 CO 0.04 -0.13 1.47 -2.16 0.00 0.00 0.00 175.10 174.32 1qjz s PRO 132 N 1.88 4.27 -0.52 2.72 0.04 -1.25 0.31 135.00 142.45 1qjz s PRO 132 Ca 0.00 2.13 -0.27 0.00 0.04 0.00 0.00 61.00 62.90 1qjz s PRO 132 Cb -0.16 -3.41 -0.01 0.00 0.04 0.00 0.00 34.50 30.96 1qjz s PRO 132 CO -0.08 -0.56 1.72 -1.17 0.04 0.00 0.00 177.00 176.95 1qjz s LEU 133 N 1.82 3.38 -0.98 -3.56 1.98 -0.93 -4.59 118.68 115.80 1qjz s LEU 133 Ca 0.67 0.58 -0.24 0.00 -2.89 0.00 0.00 54.13 52.26 1qjz s LEU 133 Cb -0.37 -2.95 -0.02 0.00 0.66 0.00 0.00 46.19 43.52 1qjz s LEU 133 CO 0.30 -2.01 1.80 0.21 -1.89 0.00 0.00 176.35 174.76 1qjz s ASN 134 N 6.51 5.58 0.59 3.68 2.47 -1.26 -4.66 114.94 127.84 1qjz s ASN 134 Ca 0.66 -1.05 0.21 0.00 0.42 0.00 0.00 52.86 53.10 1qjz s ASN 134 Cb -0.15 -2.57 1.16 0.00 -1.45 0.00 0.00 41.25 38.25 1qjz s ASN 134 CO 0.25 -2.37 1.63 0.17 -3.72 0.00 0.00 177.10 173.06 1qjz h LEU 135 N 16.24 0.00 -0.97 3.21 -0.00 -1.92 -1.26 115.31 130.61 1qjz h LEU 135 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.03 1qjz h LEU 135 Cb 0.99 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.65 1qjz h LEU 135 CO 1.28 0.00 0.00 0.47 -0.00 0.00 0.00 178.44 180.19 1qjz n ASP 136 N -2.63 1.46 -0.83 0.17 8.00 -1.26 -3.05 116.55 118.41 1qjz n ASP 136 Ca -0.01 -1.67 0.05 0.00 0.71 0.00 0.00 54.79 53.87 1qjz n ASP 136 Cb 0.46 -0.09 0.22 0.00 -0.02 0.00 0.00 41.12 41.70 1qjz n ASP 136 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1qjz n SER 137 N 0.18 3.20 -3.75 -2.24 7.64 -0.47 -0.17 113.62 118.00 1qjz n SER 137 Ca 0.16 -3.26 -0.08 0.00 1.01 0.00 0.00 58.87 56.70 1qjz n SER 137 Cb 0.30 -0.55 -0.02 0.00 -1.01 0.00 0.00 64.21 62.92 1qjz n SER 137 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1qjz s VAL 138 N -2.96 0.00 -0.31 0.44 -7.23 -1.17 -4.37 120.40 104.79 1qjz s VAL 138 Ca 0.41 -0.76 -0.28 0.00 -1.81 0.00 0.00 61.98 59.54 1qjz s VAL 138 Cb 0.35 -1.76 0.01 0.00 0.56 0.00 0.00 36.38 35.55 1qjz s VAL 138 CO 0.05 -0.00 1.03 0.20 -0.31 0.00 0.00 175.10 176.06 1qjz s ASN 139 N -2.88 6.89 0.33 4.85 -0.87 0.27 -3.72 114.94 119.81 1qjz s ASN 139 Ca 0.09 1.00 0.03 0.00 -1.57 0.00 0.00 52.86 52.40 1qjz s ASN 139 Cb -0.05 -2.52 0.62 0.00 -0.02 0.00 0.00 41.25 39.28 1qjz s ASN 139 CO 0.02 -0.83 1.94 -0.09 -2.57 0.00 0.00 177.10 175.57 1qjz h ARG 140 N 8.06 0.89 -7.02 -0.60 2.43 -1.88 -3.40 114.38 112.86 1qjz h ARG 140 Ca -0.21 -0.05 -0.53 0.00 -0.81 0.00 0.00 59.98 58.38 1qjz h ARG 140 Cb 1.07 -0.20 0.10 0.00 -0.42 0.00 0.00 29.97 30.52 1qjz h ARG 140 CO 1.01 0.59 0.55 -1.64 -1.51 0.00 0.00 179.97 178.96 1qjz s MET 141 N -5.80 3.45 -0.04 0.20 -1.94 -1.26 -1.49 119.30 112.41 1qjz s MET 141 Ca -0.11 2.01 -0.01 0.00 -1.71 0.00 0.00 55.69 55.87 1qjz s MET 141 Cb 0.19 -2.34 -0.02 0.00 2.01 0.00 0.00 34.83 34.68 1qjz s MET 141 CO 0.79 -0.87 -0.05 1.28 -0.01 0.00 0.00 175.02 176.16 1qjz n LEU 142 N -0.75 1.50 -3.94 -0.03 4.32 -0.76 -4.87 117.00 112.46 1qjz n LEU 142 Ca 0.09 0.02 -0.29 0.00 -0.02 0.00 0.00 56.01 55.81 1qjz n LEU 142 Cb 0.46 -0.14 -0.16 0.00 -1.62 0.00 0.00 43.42 41.96 1qjz n LEU 142 CO 0.50 0.31 -0.44 -0.75 -1.22 0.00 0.00 177.39 175.79 1qjz s LYS 143 N -2.08 1.73 0.07 3.23 2.20 -1.24 -4.93 119.74 118.72 1qjz s LYS 143 Ca -0.06 -0.65 -0.16 0.00 -0.36 0.00 0.00 55.97 54.74 1qjz s LYS 143 Cb 0.02 -2.18 0.03 0.00 -1.51 0.00 0.00 37.83 34.19 1qjz s LYS 143 CO 0.09 -0.42 0.37 0.34 -0.36 0.00 0.00 175.35 175.37 1qjz s ASP 144 N 1.53 -0.20 0.33 1.43 2.15 -1.23 -1.03 116.67 119.65 1qjz s ASP 144 Ca 0.00 -0.17 0.16 0.00 0.43 0.00 0.00 52.55 52.97 1qjz s ASP 144 Cb -0.15 0.42 1.16 0.00 -0.30 0.00 0.00 42.92 44.04 1qjz s ASP 144 CO -0.08 -0.71 1.47 -1.20 -0.17 0.00 0.00 175.17 174.48 1qjz n SER 145 N 0.29 0.25 -4.35 -0.34 7.64 -1.24 -3.58 113.62 112.29 1qjz n SER 145 Ca -0.18 1.55 -0.36 0.00 1.01 0.00 0.00 58.87 60.90 1qjz n SER 145 Cb 0.61 -0.72 -0.13 0.00 -1.01 0.00 0.00 64.21 62.95 1qjz n SER 145 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1qjz s VAL 146 N -5.50 3.69 0.24 0.44 1.01 -1.26 -5.09 120.40 113.93 1qjz s VAL 146 Ca -0.09 -0.46 -0.15 0.00 0.00 0.00 0.00 61.98 61.28 1qjz s VAL 146 Cb 0.31 -2.74 -0.08 0.00 0.00 0.00 0.00 36.38 33.87 1qjz s VAL 146 CO 0.72 0.34 0.65 -0.89 0.00 0.00 0.00 175.10 175.92 1qjz s THR 147 N 1.51 4.75 0.03 3.92 2.01 -1.24 -4.93 115.64 121.69 1qjz s THR 147 Ca 0.05 0.89 -0.01 0.00 0.31 0.00 0.00 61.69 62.93 1qjz s THR 147 Cb -0.15 -3.69 0.00 0.00 0.01 0.00 0.00 72.50 68.67 1qjz s THR 147 CO -0.01 0.02 0.06 0.00 -0.69 0.00 0.00 174.62 174.00 1qjz n TYR 148 N 0.17 -1.03 -2.29 4.92 0.18 -1.26 -5.13 117.16 112.72 1qjz n TYR 148 Ca -0.00 -0.17 0.00 0.00 1.88 0.00 0.00 57.90 59.61 1qjz n TYR 148 Cb 0.52 0.08 0.00 0.00 -0.38 0.00 0.00 39.34 39.56 1qjz n TYR 148 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 1qjz n THR 149 N -0.05 0.00 -0.86 -3.48 -2.24 -1.26 -4.67 114.28 101.73 1qjz n THR 149 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1qjz n THR 149 Cb 0.05 -0.70 0.00 0.00 -2.10 0.00 0.00 70.33 67.58 1qjz n THR 149 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1qjz n ASP 150 N 0.00 -1.33 -4.75 3.42 9.92 -1.26 -4.65 116.55 117.89 1qjz n ASP 150 Ca 0.00 0.00 -0.35 0.00 -0.53 0.00 0.00 54.79 53.91 1qjz n ASP 150 Cb 0.00 -1.26 0.05 0.00 -0.64 0.00 0.00 41.12 39.27 1qjz n ASP 150 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1qjz s THR 151 N -2.39 2.74 -0.00 -3.53 2.01 -1.26 -0.57 115.64 112.64 1qjz s THR 151 Ca 0.00 0.41 -0.30 0.00 0.31 0.00 0.00 61.69 62.11 1qjz s THR 151 Cb 0.00 -3.05 -0.07 0.00 0.01 0.00 0.00 72.50 69.39 1qjz s THR 151 CO 0.00 -0.15 1.79 -2.16 -0.69 0.00 0.00 174.62 173.41 1qjz s PRO 152 N -3.64 4.16 -0.07 4.92 0.04 -1.26 -1.33 135.00 137.82 1qjz s PRO 152 Ca 0.74 2.39 0.01 0.00 0.04 0.00 0.00 61.00 64.18 1qjz s PRO 152 Cb -0.27 -4.03 0.02 0.00 0.04 0.00 0.00 34.50 30.26 1qjz s PRO 152 CO 0.37 -0.89 -0.08 0.15 0.04 0.00 0.00 177.00 176.59 1qjz s LYS 153 N 4.11 1.39 0.02 4.56 1.02 -0.16 -1.56 119.74 129.12 1qjz s LYS 153 Ca 0.80 -0.27 -0.10 0.00 0.02 0.00 0.00 55.97 56.43 1qjz s LYS 153 Cb -0.38 -1.30 -0.05 0.00 -0.52 0.00 0.00 37.83 35.57 1qjz s LYS 153 CO 0.35 -0.10 0.34 -1.17 -0.92 0.00 0.00 175.35 173.85 1qjz s LEU 154 N 1.10 4.39 0.00 3.17 2.96 0.40 0.13 118.68 130.83 1qjz s LEU 154 Ca -0.07 0.74 0.00 0.00 -0.22 0.00 0.00 54.13 54.58 1qjz s LEU 154 Cb -0.14 -2.71 0.00 0.00 0.50 0.00 0.00 46.19 43.84 1qjz s LEU 154 CO -0.01 0.26 0.00 0.18 -1.32 0.00 0.00 176.35 175.45 1qjz n LEU 155 N 1.29 0.00 -0.69 -0.68 7.99 0.46 -2.17 117.00 123.21 1qjz n LEU 155 Ca -0.12 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.88 1qjz n LEU 155 Cb 0.53 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.84 1qjz n LEU 155 CO 0.40 0.00 -0.21 0.00 -1.51 0.00 0.00 177.39 176.07 1qjz n ALA 156 N -3.00 -1.34 -3.64 -1.18 0.00 -0.35 -4.47 120.51 106.53 1qjz n ALA 156 Ca 0.00 0.21 -0.08 0.00 0.00 0.00 0.00 53.44 53.57 1qjz n ALA 156 Cb 0.00 -0.91 -0.02 0.00 0.00 0.00 0.00 19.45 18.52 1qjz n ALA 156 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1qjz s TYR 157 N -3.87 -0.31 -0.26 0.00 4.12 -1.03 -4.25 117.35 111.74 1qjz s TYR 157 Ca 0.00 0.02 -0.25 0.00 0.02 0.00 0.00 57.07 56.85 1qjz s TYR 157 Cb 0.00 0.62 0.09 0.00 -1.52 0.00 0.00 41.96 41.15 1qjz s TYR 157 CO 0.00 -0.89 0.83 -1.54 0.02 0.00 0.00 175.55 173.97 1qjz s SER 158 N -2.79 -0.63 0.97 2.29 1.04 -1.24 -0.99 113.70 112.35 1qjz s SER 158 Ca 0.07 1.20 -0.15 0.00 0.48 0.00 0.00 55.95 57.55 1qjz s SER 158 Cb -0.02 1.21 0.22 0.00 0.10 0.00 0.00 66.02 67.52 1qjz s SER 158 CO -0.03 -0.23 1.32 -0.13 0.98 0.00 0.00 173.24 175.15 1qjz s ARG 159 N 0.24 0.49 0.22 4.02 1.81 -1.26 -3.69 118.95 120.78 1qjz s ARG 159 Ca 0.01 -0.56 -0.32 0.00 -1.72 0.00 0.00 55.73 53.13 1qjz s ARG 159 Cb -0.05 -1.87 -0.13 0.00 -0.45 0.00 0.00 34.95 32.46 1qjz s ARG 159 CO -0.01 -2.48 1.56 0.00 -0.68 0.00 0.00 175.30 173.68 1qjz n ALA 160 N -3.77 1.78 -2.14 2.13 0.00 -1.26 -4.15 120.51 113.09 1qjz n ALA 160 Ca 0.17 0.41 -0.42 0.00 0.00 0.00 0.00 53.44 53.60 1qjz n ALA 160 Cb 0.59 -2.38 -0.03 0.00 0.00 0.00 0.00 19.45 17.64 1qjz n ALA 160 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1qjz s PRO 161 N 0.31 4.23 0.24 0.00 0.04 -1.26 -4.87 135.00 133.69 1qjz s PRO 161 Ca 0.72 2.04 -0.12 0.00 0.04 0.00 0.00 61.00 63.68 1qjz s PRO 161 Cb -0.61 -3.75 0.32 0.00 0.04 0.00 0.00 34.50 30.51 1qjz s PRO 161 CO 0.42 -0.71 1.58 1.15 0.04 0.00 0.00 177.00 179.49 1qjz h THR 162 N 5.22 0.14 -3.31 1.26 2.02 -1.92 -3.27 112.91 113.05 1qjz h THR 162 Ca -0.37 0.00 -0.56 0.00 0.77 0.00 0.00 66.41 66.24 1qjz h THR 162 Cb 1.17 0.14 -0.40 0.00 -1.74 0.00 0.00 68.15 67.32 1qjz h THR 162 CO 0.93 0.00 -0.76 0.20 0.37 0.00 0.00 175.52 176.26 1qjz s ASN 163 N -5.25 3.57 1.20 4.18 0.01 -1.26 -5.14 114.94 112.24 1qjz s ASN 163 Ca -0.15 -1.23 -0.17 0.00 -0.71 0.00 0.00 52.86 50.61 1qjz s ASN 163 Cb 0.22 -0.84 0.28 0.00 0.41 0.00 0.00 41.25 41.33 1qjz s ASN 163 CO 0.75 -0.33 1.05 -2.84 -1.51 0.00 0.00 177.10 174.21 1qjz s PRO 164 N 1.65 -1.15 -0.28 -0.60 0.02 -1.24 -5.01 135.00 128.39 1qjz s PRO 164 Ca 0.02 0.32 -0.23 0.00 0.02 0.00 0.00 61.00 61.14 1qjz s PRO 164 Cb -0.18 -1.57 0.11 0.00 0.02 0.00 0.00 34.50 32.88 1qjz s PRO 164 CO -0.14 -3.75 0.90 -1.54 -0.33 0.00 0.00 177.00 172.15 1qjz s SER 165 N -3.30 -0.59 0.00 2.53 1.04 -0.96 -5.01 113.70 107.41 1qjz s SER 165 Ca 0.68 1.08 0.00 0.00 0.48 0.00 0.00 55.95 58.20 1qjz s SER 165 Cb -0.16 1.14 0.00 0.00 0.10 0.00 0.00 66.02 67.09 1qjz s SER 165 CO 0.59 -0.18 0.71 0.29 0.98 0.00 0.00 173.24 175.62 1qjz n LYS 166 N 2.79 0.86 -4.33 4.02 4.01 -1.26 -3.62 118.16 120.63 1qjz n LYS 166 Ca -0.15 0.00 -0.20 0.00 -0.51 0.00 0.00 58.31 57.45 1qjz n LYS 166 Cb 0.56 -1.15 -0.16 0.00 -0.51 0.00 0.00 35.03 33.78 1qjz n LYS 166 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1qjz s ILE 167 N -1.65 0.72 0.17 -0.18 1.09 -1.26 -5.05 121.20 115.04 1qjz s ILE 167 Ca 0.00 -0.29 -0.31 0.00 -1.10 0.00 0.00 60.65 58.94 1qjz s ILE 167 Cb 0.00 -0.67 -0.11 0.00 -1.06 0.00 0.00 42.46 40.62 1qjz s ILE 167 CO 0.00 0.24 1.78 -2.16 -0.10 0.00 0.00 174.94 174.71 1qjz s PRO 168 N 0.43 4.13 0.38 2.79 0.04 -1.26 -4.58 135.00 136.93 1qjz s PRO 168 Ca -0.07 2.61 0.15 0.00 0.04 0.00 0.00 61.00 63.73 1qjz s PRO 168 Cb -0.11 -3.34 0.78 0.00 0.04 0.00 0.00 34.50 31.87 1qjz s PRO 168 CO 0.01 -0.80 1.84 1.79 0.04 0.00 0.00 177.00 179.87 1qjz h THR 169 N 4.26 1.17 -2.86 1.26 1.35 -1.78 -3.43 112.91 112.88 1qjz h THR 169 Ca -0.45 -1.23 0.06 0.00 -0.55 0.00 0.00 66.41 64.24 1qjz h THR 169 Cb 1.21 1.68 -0.08 0.00 -1.73 0.00 0.00 68.15 69.23 1qjz h THR 169 CO 0.95 0.34 0.28 0.00 -0.25 0.00 0.00 175.52 176.84 1qjz s ALA 170 N -4.14 -1.44 -0.26 6.62 0.00 -1.26 -1.41 121.76 119.87 1qjz s ALA 170 Ca -0.03 0.10 -0.23 0.00 0.00 0.00 0.00 51.96 51.81 1qjz s ALA 170 Cb 0.14 0.80 0.07 0.00 0.00 0.00 0.00 23.12 24.13 1qjz s ALA 170 CO 0.71 -0.93 0.68 0.45 0.00 0.00 0.00 175.76 176.67 1qjz s SER 171 N -2.84 -0.74 -0.34 0.00 0.15 -0.78 -2.01 113.70 107.13 1qjz s SER 171 Ca 0.08 1.39 -0.19 0.00 0.70 0.00 0.00 55.95 57.93 1qjz s SER 171 Cb -0.03 1.39 -0.00 0.00 -1.71 0.00 0.00 66.02 65.66 1qjz s SER 171 CO -0.01 -0.24 0.56 -0.63 1.20 0.00 0.00 173.24 174.12 1qjz s ILE 172 N 0.54 4.97 -0.81 6.45 1.01 -0.46 -1.63 121.20 131.27 1qjz s ILE 172 Ca -0.01 0.47 0.02 0.00 0.00 0.00 0.00 60.65 61.12 1qjz s ILE 172 Cb -0.05 -4.00 0.20 0.00 0.01 0.00 0.00 42.46 38.63 1qjz s ILE 172 CO -0.02 -0.23 0.67 0.00 0.00 0.00 0.00 174.94 175.36 1qjz n GLN 173 N 5.84 2.30 -1.14 2.79 3.00 -0.17 -0.75 117.38 129.25 1qjz n GLN 173 Ca -0.03 -4.50 -0.33 0.00 -0.01 0.00 0.00 57.00 52.13 1qjz n GLN 173 Cb 0.49 -2.35 0.12 0.00 0.00 0.00 0.00 30.24 28.50 1qjz n GLN 173 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.06 175.56 1qjz s ILE 174 N -1.48 2.05 0.00 5.09 2.07 -0.92 -4.21 121.20 123.80 1qjz s ILE 174 Ca 0.27 0.02 0.00 0.00 -1.41 0.00 0.00 60.65 59.53 1qjz s ILE 174 Cb -0.05 -2.45 0.00 0.00 0.13 0.00 0.00 42.46 40.09 1qjz s ILE 174 CO -0.14 -0.02 0.00 -1.54 -1.91 0.00 0.00 174.94 171.33 1qjz n SER 175 N -3.26 0.00 0.00 4.50 3.41 0.80 -0.81 113.62 118.26 1qjz n SER 175 Ca 0.14 -0.36 0.00 0.00 -0.26 0.00 0.00 58.87 58.39 1qjz n SER 175 Cb 0.50 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 1qjz n SER 175 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qjz n GLY 176 N 0.00 0.58 3.10 5.00 0.00 -1.00 -2.10 105.19 110.77 1qjz n GLY 176 Ca 0.00 -1.77 -0.12 0.00 0.00 0.00 0.00 46.02 44.13 1qjz n GLY 176 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1qjz s ARG 177 N -2.00 0.32 0.04 1.61 0.52 -0.50 -0.82 118.95 118.11 1qjz s ARG 177 Ca 0.00 0.12 0.08 0.00 -0.52 0.00 0.00 55.73 55.41 1qjz s ARG 177 Cb 0.00 0.15 -0.03 0.00 0.52 0.00 0.00 34.95 35.59 1qjz s ARG 177 CO 0.00 -0.06 -0.24 0.42 0.02 0.00 0.00 175.30 175.45 1qjz s ILE 178 N -0.29 1.91 -1.07 1.52 1.01 0.24 -1.57 121.20 122.96 1qjz s ILE 178 Ca -0.04 -1.26 -0.14 0.00 0.00 0.00 0.00 60.65 59.22 1qjz s ILE 178 Cb -0.03 -1.64 0.19 0.00 0.01 0.00 0.00 42.46 41.00 1qjz s ILE 178 CO 0.01 0.33 1.20 -0.60 0.00 0.00 0.00 174.94 175.87 1qjz s ARG 179 N -1.11 3.94 0.12 2.79 3.00 0.11 -1.58 118.95 126.21 1qjz s ARG 179 Ca 0.10 -2.53 -0.30 0.00 -1.00 0.00 0.00 55.73 51.99 1qjz s ARG 179 Cb -0.09 -4.82 -0.06 0.00 0.00 0.00 0.00 34.95 29.97 1qjz s ARG 179 CO 0.02 -1.58 1.06 -0.48 0.00 0.00 0.00 175.30 174.31 1qjz s LEU 180 N 0.96 4.46 0.18 -0.88 0.05 -0.89 -3.04 118.68 119.51 1qjz s LEU 180 Ca 0.34 1.93 -0.19 0.00 0.05 0.00 0.00 54.13 56.26 1qjz s LEU 180 Cb -0.06 -3.59 0.04 0.00 -2.05 0.00 0.00 46.19 40.53 1qjz s LEU 180 CO -0.05 -0.21 0.55 -0.94 -0.55 0.00 0.00 176.35 175.14 1qjz s SER 181 N 0.25 -0.36 0.13 1.48 1.04 0.56 -1.14 113.70 115.66 1qjz s SER 181 Ca 0.50 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.63 1qjz s SER 181 Cb -0.26 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.44 1qjz s SER 181 CO 0.31 -1.02 0.00 2.29 0.98 0.00 0.00 173.24 175.80 1qjz n LYS 182 N -0.35 -5.48 -1.61 4.02 2.85 -1.26 -2.42 118.16 113.91 1qjz n LYS 182 Ca -0.13 3.92 -0.37 0.00 -1.05 0.00 0.00 58.31 60.68 1qjz n LYS 182 Cb 0.63 -4.50 0.06 0.00 -0.65 0.00 0.00 35.03 30.58 1qjz n LYS 182 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 1qjz n PRO 183 N 1.89 0.88 0.00 -1.58 -0.04 -1.26 -0.07 135.00 134.81 1qjz n PRO 183 Ca 0.00 0.35 0.09 0.00 -0.04 0.00 0.00 63.50 63.90 1qjz n PRO 183 Cb 0.00 -2.29 -0.04 0.00 -0.04 0.00 0.00 33.50 31.13 1qjz n PRO 183 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1qjz n MET 184 N -1.47 1.47 0.00 0.54 2.81 0.28 -3.64 117.12 117.12 1qjz n MET 184 Ca 0.15 -0.53 0.00 0.00 -1.81 0.00 0.00 57.70 55.51 1qjz n MET 184 Cb 0.48 -1.33 0.00 0.00 -0.71 0.00 0.00 33.22 31.67 1qjz n MET 184 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 1qjz n LEU 185 N -0.61 0.00 0.00 4.03 0.00 -1.26 -4.78 117.00 114.38 1qjz n LEU 185 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.07 1qjz n LEU 185 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.75 1qjz n LEU 185 CO 0.27 0.00 0.00 2.30 0.00 0.00 0.00 177.39 179.96 1qjz n ILE 186 N 0.00 0.00 0.00 1.96 -6.64 -1.26 -4.69 119.36 108.73 1qjz n ILE 186 Ca 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 60.98 1qjz n ILE 186 Cb 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 39.64 38.20 1qjz n ILE 186 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1qjz n ALA 187 N 0.00 0.00 -0.16 -1.28 0.00 -1.26 -5.22 120.51 112.59 1qjz n ALA 187 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1qjz n ALA 187 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1qjz n ALA 187 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59