#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jy9 s ILE 2 N 0.00 5.26 -0.21 1.12 -1.09 -0.01 -4.89 121.20 121.38 2jy9 s ILE 2 Ca 0.00 0.33 -0.01 0.00 -2.23 0.00 0.00 60.65 58.74 2jy9 s ILE 2 Cb 0.00 -3.59 0.02 0.00 -1.58 0.00 0.00 42.46 37.31 2jy9 s ILE 2 CO 0.00 0.23 -0.13 0.00 -1.23 0.00 0.00 174.94 173.81 2jy9 s ALA 3 N 1.80 2.54 0.34 9.38 0.00 -1.26 -0.48 121.76 134.07 2jy9 s ALA 3 Ca 0.10 -1.29 0.08 0.00 0.00 0.00 0.00 51.96 50.85 2jy9 s ALA 3 Cb -0.16 -1.44 -0.04 0.00 0.00 0.00 0.00 23.12 21.49 2jy9 s ALA 3 CO 0.10 -0.52 0.21 0.42 0.00 0.00 0.00 175.76 175.97 2jy9 s ILE 4 N 1.33 3.19 1.14 0.00 -1.09 0.81 -5.01 121.20 121.56 2jy9 s ILE 4 Ca 0.03 -1.56 -0.13 0.00 -2.23 0.00 0.00 60.65 56.76 2jy9 s ILE 4 Cb -0.14 -3.06 0.27 0.00 -1.58 0.00 0.00 42.46 37.95 2jy9 s ILE 4 CO -0.08 -0.17 1.04 -0.94 -1.23 0.00 0.00 174.94 173.56 2jy9 s SER 5 N -3.91 1.24 0.00 3.58 1.04 -1.26 -3.84 113.70 110.55 2jy9 s SER 5 Ca 0.39 1.40 0.00 0.00 0.48 0.00 0.00 55.95 58.22 2jy9 s SER 5 Cb -0.04 -2.17 0.00 0.00 0.10 0.00 0.00 66.02 63.91 2jy9 s SER 5 CO 0.24 -4.02 0.00 0.54 0.98 0.00 0.00 173.24 170.98 2jy9 n ARG 6 N -4.79 0.00 -0.40 4.02 5.12 -1.26 -2.63 116.66 116.72 2jy9 n ARG 6 Ca 0.03 0.00 -0.00 0.00 -1.93 0.00 0.00 57.85 55.95 2jy9 n ARG 6 Cb 0.55 0.00 -0.00 0.00 -1.16 0.00 0.00 32.46 31.85 2jy9 n ARG 6 CO 0.00 0.00 0.00 -2.37 -1.93 0.00 0.00 177.63 173.33 2jy9 n THR 7 N 0.00 0.00 -3.49 0.55 5.66 -1.26 -5.12 114.28 110.62 2jy9 n THR 7 Ca 0.00 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.63 2jy9 n THR 7 Cb 0.00 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 68.71 2jy9 n THR 7 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 2jy9 s VAL 8 N 0.00 5.27 0.01 1.08 1.01 -1.08 -5.02 120.40 121.67 2jy9 s VAL 8 Ca 0.00 0.58 -0.01 0.00 0.00 0.00 0.00 61.98 62.55 2jy9 s VAL 8 Cb 0.00 -3.66 -0.01 0.00 0.00 0.00 0.00 36.38 32.71 2jy9 s VAL 8 CO 0.00 0.33 -0.00 -0.44 0.00 0.00 0.00 175.10 174.99 2jy9 s SER 9 N 0.76 0.15 -0.01 3.32 0.01 -1.26 -0.13 113.70 116.53 2jy9 s SER 9 Ca 0.17 -0.33 0.04 0.00 1.31 0.00 0.00 55.95 57.13 2jy9 s SER 9 Cb -0.14 0.10 -0.01 0.00 0.21 0.00 0.00 66.02 66.18 2jy9 s SER 9 CO 0.06 -0.23 -0.14 -0.63 0.41 0.00 0.00 173.24 172.71 2jy9 s ILE 10 N -1.08 1.08 0.41 1.44 1.09 0.37 -5.00 121.20 119.51 2jy9 s ILE 10 Ca -0.12 -0.58 -0.26 0.00 -1.10 0.00 0.00 60.65 58.59 2jy9 s ILE 10 Cb -0.07 -0.91 -0.09 0.00 -1.06 0.00 0.00 42.46 40.33 2jy9 s ILE 10 CO -0.00 0.31 1.35 0.00 -0.10 0.00 0.00 174.94 176.49 2jy9 s ALA 11 N -0.26 3.30 0.48 9.38 0.00 -1.26 -0.83 121.76 132.57 2jy9 s ALA 11 Ca 0.04 1.32 0.31 0.00 0.00 0.00 0.00 51.96 53.62 2jy9 s ALA 11 Cb -0.06 -3.52 1.68 0.00 0.00 0.00 0.00 23.12 21.23 2jy9 s ALA 11 CO -0.00 -0.92 2.16 0.22 0.00 0.00 0.00 175.76 177.22 2jy9 h ASP 12 N 2.67 0.00 0.58 0.00 3.58 -1.94 -1.89 116.42 119.42 2jy9 h ASP 12 Ca -0.50 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.95 2jy9 h ASP 12 Cb 1.25 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.30 2jy9 h ASP 12 CO 0.63 0.06 0.00 0.59 -2.88 0.00 0.00 179.24 177.64 2jy9 n ASN 13 N -3.61 0.00 0.02 2.28 4.13 -1.26 -2.77 115.26 114.06 2jy9 n ASN 13 Ca -0.02 0.10 0.13 0.00 1.68 0.00 0.00 54.58 56.47 2jy9 n ASN 13 Cb 0.17 -0.35 0.40 0.00 -1.54 0.00 0.00 39.78 38.47 2jy9 n ASN 13 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2jy9 n GLU 14 N -1.35 0.08 -3.02 3.52 4.71 -0.71 -4.85 120.64 119.01 2jy9 n GLU 14 Ca 0.10 0.04 -0.40 0.00 -0.01 0.00 0.00 57.16 56.89 2jy9 n GLU 14 Cb 0.23 -1.57 -0.05 0.00 -1.01 0.00 0.00 31.44 29.04 2jy9 n GLU 14 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 2jy9 s LEU 15 N -3.38 4.49 -0.81 -4.62 1.43 -1.11 -5.01 118.68 109.67 2jy9 s LEU 15 Ca 0.11 1.46 -0.22 0.00 -1.03 0.00 0.00 54.13 54.46 2jy9 s LEU 15 Cb 0.17 -3.20 0.08 0.00 0.03 0.00 0.00 46.19 43.27 2jy9 s LEU 15 CO 0.62 0.09 1.12 -1.61 0.23 0.00 0.00 176.35 176.80 2jy9 s GLU 16 N -0.40 3.34 -0.37 1.70 2.02 -1.26 -5.00 118.70 118.74 2jy9 s GLU 16 Ca 0.37 -1.12 -0.17 0.00 0.02 0.00 0.00 54.97 54.07 2jy9 s GLU 16 Cb -0.21 -4.61 0.00 0.00 0.10 0.00 0.00 34.13 29.41 2jy9 s GLU 16 CO 0.23 -1.89 0.45 0.42 0.02 0.00 0.00 175.26 174.48 2jy9 s ILE 17 N 3.91 5.08 0.05 -1.63 -1.09 -1.26 -3.57 121.20 122.69 2jy9 s ILE 17 Ca 0.30 0.04 0.08 0.00 -2.23 0.00 0.00 60.65 58.85 2jy9 s ILE 17 Cb -0.10 -3.95 -0.03 0.00 -1.58 0.00 0.00 42.46 36.80 2jy9 s ILE 17 CO 0.01 -0.25 -0.22 0.42 -1.23 0.00 0.00 174.94 173.68 2jy9 s THR 18 N 2.22 2.51 -0.05 2.92 -4.23 0.86 -4.97 115.64 114.90 2jy9 s THR 18 Ca 0.15 -1.32 -0.24 0.00 -1.18 0.00 0.00 61.69 59.10 2jy9 s THR 18 Cb -0.16 -2.04 -0.04 0.00 1.34 0.00 0.00 72.50 71.60 2jy9 s THR 18 CO 0.13 0.32 0.73 0.00 -0.54 0.00 0.00 174.62 175.26 2jy9 s ALA 19 N -0.90 3.33 -0.10 3.99 0.00 -1.26 0.33 121.76 127.15 2jy9 s ALA 19 Ca 0.14 0.18 -0.28 0.00 0.00 0.00 0.00 51.96 52.00 2jy9 s ALA 19 Cb -0.10 -2.98 -0.02 0.00 0.00 0.00 0.00 23.12 20.02 2jy9 s ALA 19 CO 0.04 -0.09 0.93 0.42 0.00 0.00 0.00 175.76 177.07 2jy9 s ILE 20 N 0.69 4.85 -0.08 0.00 1.01 -0.14 -4.89 121.20 122.65 2jy9 s ILE 20 Ca 0.39 1.89 -0.30 0.00 0.00 0.00 0.00 60.65 62.62 2jy9 s ILE 20 Cb -0.18 -4.24 -0.08 0.00 0.01 0.00 0.00 42.46 37.96 2jy9 s ILE 20 CO 0.19 0.06 2.07 -2.11 0.00 0.00 0.00 174.94 175.15 2jy9 n ARG 21 N 4.75 2.44 0.00 2.79 1.85 -1.26 -4.08 116.66 123.15 2jy9 n ARG 21 Ca 0.06 0.82 0.00 0.00 -1.00 0.00 0.00 57.85 57.73 2jy9 n ARG 21 Cb 0.49 -3.06 0.00 0.00 -1.05 0.00 0.00 32.46 28.85 2jy9 n ARG 21 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2jy9 n ALA 22 N 9.10 0.00 -1.31 2.89 0.00 -1.26 -4.90 120.51 125.04 2jy9 n ALA 22 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.69 2jy9 n ALA 22 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.86 2jy9 n ALA 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jy9 n GLN 23 N -0.31 0.00 0.00 0.00 10.64 -1.26 -5.08 117.38 121.37 2jy9 n GLN 23 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 2jy9 n GLN 23 Cb 0.00 -0.28 0.00 0.00 -0.86 0.00 0.00 30.24 29.10 2jy9 n GLN 23 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2jy9 n GLY 24 N 0.00 -1.88 3.52 2.61 0.00 -1.26 -5.05 105.19 103.13 2jy9 n GLY 24 Ca 0.00 -1.59 -0.11 0.00 0.00 0.00 0.00 46.02 44.31 2jy9 n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jy9 s ALA 25 N -1.30 0.23 0.00 4.61 0.00 -1.26 -4.85 121.76 119.19 2jy9 s ALA 25 Ca 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 51.96 50.78 2jy9 s ALA 25 Cb 0.00 1.12 0.00 0.00 0.00 0.00 0.00 23.12 24.24 2jy9 s ALA 25 CO 0.00 -0.81 0.00 0.41 0.00 0.00 0.00 175.76 175.36 2jy9 n GLY 26 N -0.43 4.61 1.42 0.00 0.00 -1.26 -5.07 105.19 104.46 2jy9 n GLY 26 Ca -0.01 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.82 2jy9 n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jy9 n GLY 27 N -1.76 2.06 1.92 -0.02 0.00 -1.26 -4.90 105.19 101.22 2jy9 n GLY 27 Ca 0.00 -0.47 -0.17 0.00 0.00 0.00 0.00 46.02 45.39 2jy9 n GLY 27 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2jy9 n GLN 28 N 0.00 1.17 -2.95 1.61 6.02 -1.26 -5.12 117.38 116.85 2jy9 n GLN 28 Ca 0.00 -1.96 -0.40 0.00 -0.01 0.00 0.00 57.00 54.63 2jy9 n GLN 28 Cb 0.00 0.67 -0.05 0.00 1.02 0.00 0.00 30.24 31.88 2jy9 n GLN 28 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 2jy9 s HIS 29 N -2.10 3.69 -0.01 1.08 3.76 -1.26 -5.05 115.29 115.41 2jy9 s HIS 29 Ca 0.03 1.46 0.01 0.00 -0.15 0.00 0.00 55.06 56.41 2jy9 s HIS 29 Cb 0.00 -2.86 0.00 0.00 1.11 0.00 0.00 32.58 30.83 2jy9 s HIS 29 CO 0.02 0.19 -0.02 0.54 -0.85 0.00 0.00 174.74 174.62 2jy9 s VAL 30 N 0.29 0.21 -0.54 -0.90 0.11 -1.26 -5.03 120.40 113.27 2jy9 s VAL 30 Ca 0.40 -0.09 0.19 0.00 -2.93 0.00 0.00 61.98 59.55 2jy9 s VAL 30 Cb -0.20 -0.19 -0.24 0.00 -1.53 0.00 0.00 36.38 34.22 2jy9 s VAL 30 CO 0.23 0.07 0.64 0.59 -3.33 0.00 0.00 175.10 173.30 2jy9 n ASN 31 N 3.14 0.78 -4.54 3.54 3.02 -1.26 -4.62 115.26 115.33 2jy9 n ASN 31 Ca -0.14 -0.57 -0.43 0.00 -0.03 0.00 0.00 54.58 53.41 2jy9 n ASN 31 Cb 0.58 1.34 0.00 0.00 -0.61 0.00 0.00 39.78 41.09 2jy9 n ASN 31 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2jy9 n LYS 32 N -1.72 3.23 -2.21 3.52 5.02 -1.26 -4.97 118.16 119.77 2jy9 n LYS 32 Ca 0.01 -3.38 -0.26 0.00 -2.02 0.00 0.00 58.31 52.65 2jy9 n LYS 32 Cb 0.37 -3.40 0.16 0.00 -0.02 0.00 0.00 35.03 32.14 2jy9 n LYS 32 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2jy9 n THR 33 N 6.01 0.00 -2.62 -0.18 -2.24 -1.26 -4.89 114.28 109.11 2jy9 n THR 33 Ca 0.47 -1.26 -0.41 0.00 -2.27 0.00 0.00 64.05 60.57 2jy9 n THR 33 Cb 0.45 -1.22 -0.03 0.00 -2.10 0.00 0.00 70.33 67.43 2jy9 n THR 33 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2jy9 s SER 34 N -5.48 6.35 -0.35 3.42 0.15 -1.26 -4.82 113.70 111.72 2jy9 s SER 34 Ca 0.71 -1.09 0.01 0.00 0.70 0.00 0.00 55.95 56.28 2jy9 s SER 34 Cb -0.03 -2.54 0.14 0.00 -1.71 0.00 0.00 66.02 61.89 2jy9 s SER 34 CO 0.49 -1.59 0.28 -0.44 1.20 0.00 0.00 173.24 173.18 2jy9 s SER 35 N 4.27 2.10 -0.02 5.45 0.01 -1.26 -4.87 113.70 119.38 2jy9 s SER 35 Ca 0.38 -1.70 -0.10 0.00 1.31 0.00 0.00 55.95 55.84 2jy9 s SER 35 Cb -0.05 0.12 0.01 0.00 0.21 0.00 0.00 66.02 66.31 2jy9 s SER 35 CO 0.01 -0.31 0.22 0.00 0.41 0.00 0.00 173.24 173.58 2jy9 s ALA 36 N 1.44 -0.56 -0.30 1.44 0.00 -1.26 -4.74 121.76 117.79 2jy9 s ALA 36 Ca 0.16 0.21 -0.11 0.00 0.00 0.00 0.00 51.96 52.22 2jy9 s ALA 36 Cb -0.18 -0.01 -0.03 0.00 0.00 0.00 0.00 23.12 22.89 2jy9 s ALA 36 CO -0.07 -0.21 0.19 0.42 0.00 0.00 0.00 175.76 176.09 2jy9 s ILE 37 N -1.04 5.15 -0.33 0.00 -1.09 0.53 -0.96 121.20 123.46 2jy9 s ILE 37 Ca -0.11 -0.06 -0.03 0.00 -2.23 0.00 0.00 60.65 58.23 2jy9 s ILE 37 Cb -0.05 -3.53 0.06 0.00 -1.58 0.00 0.00 42.46 37.35 2jy9 s ILE 37 CO 0.02 0.15 0.05 -2.28 -1.23 0.00 0.00 174.94 171.65 2jy9 s HIS 38 N 1.72 3.33 0.07 3.97 5.65 0.15 -1.20 115.29 128.98 2jy9 s HIS 38 Ca 0.06 -1.92 0.06 0.00 0.25 0.00 0.00 55.06 53.52 2jy9 s HIS 38 Cb -0.17 -2.35 -0.03 0.00 -1.18 0.00 0.00 32.58 28.86 2jy9 s HIS 38 CO 0.10 -0.82 -0.16 -0.48 -0.65 0.00 0.00 174.74 172.72 2jy9 s LEU 39 N 1.25 2.26 -0.14 8.88 2.34 -1.14 -0.10 118.68 132.03 2jy9 s LEU 39 Ca -0.02 -0.60 0.01 0.00 0.06 0.00 0.00 54.13 53.58 2jy9 s LEU 39 Cb -0.20 -0.63 0.02 0.00 -0.56 0.00 0.00 46.19 44.81 2jy9 s LEU 39 CO -0.01 -0.02 -0.15 0.00 -1.06 0.00 0.00 176.35 175.11 2jy9 s ARG 40 N -1.63 2.39 -0.51 1.48 1.70 -1.23 -0.85 118.95 120.29 2jy9 s ARG 40 Ca 0.01 -0.60 -0.16 0.00 -0.47 0.00 0.00 55.73 54.51 2jy9 s ARG 40 Cb -0.10 -2.13 0.10 0.00 -0.57 0.00 0.00 34.95 32.26 2jy9 s ARG 40 CO 0.02 -0.19 0.48 0.12 -1.08 0.00 0.00 175.30 174.66 2jy9 s PHE 41 N 1.33 3.21 -0.03 5.89 5.36 0.18 -4.43 117.98 129.50 2jy9 s PHE 41 Ca 0.02 -1.06 -0.12 0.00 -0.96 0.00 0.00 56.93 54.81 2jy9 s PHE 41 Cb -0.13 -3.54 -0.05 0.00 -0.34 0.00 0.00 43.02 38.95 2jy9 s PHE 41 CO -0.09 -0.95 0.33 0.34 -1.46 0.00 0.00 175.22 173.39 2jy9 s ASP 42 N 3.12 6.68 -0.13 6.13 2.15 -1.26 -0.90 116.67 132.46 2jy9 s ASP 42 Ca 0.05 0.81 -0.05 0.00 0.43 0.00 0.00 52.55 53.79 2jy9 s ASP 42 Cb -0.26 -2.19 -0.25 0.00 -0.30 0.00 0.00 42.92 39.91 2jy9 s ASP 42 CO 0.05 0.34 0.31 -0.38 -0.17 0.00 0.00 175.17 175.33 2jy9 n ILE 43 N 1.80 1.74 -0.25 4.11 -0.00 -1.00 -4.26 119.36 121.51 2jy9 n ILE 43 Ca -0.15 -0.65 0.12 0.00 -0.00 0.00 0.00 62.75 62.06 2jy9 n ILE 43 Cb 0.53 -1.67 0.38 0.00 -0.00 0.00 0.00 39.64 38.89 2jy9 n ILE 43 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.55 176.46 2jy9 h ARG 44 N 0.06 0.66 0.00 0.38 1.12 -1.89 0.42 114.38 115.13 2jy9 h ARG 44 Ca -0.44 -0.04 0.00 0.00 -1.11 0.00 0.00 59.98 58.39 2jy9 h ARG 44 Cb 2.02 -0.15 0.00 0.00 -0.01 0.00 0.00 29.97 31.83 2jy9 h ARG 44 CO 0.07 0.44 0.00 0.00 -3.11 0.00 0.00 179.97 177.37 2jy9 n ALA 45 N -2.44 1.86 -1.57 2.80 0.00 -1.26 -4.95 120.51 114.95 2jy9 n ALA 45 Ca 0.16 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2jy9 n ALA 45 Cb 0.45 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.68 2jy9 n ALA 45 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2jy9 n SER 46 N -1.19 -6.66 0.07 0.00 2.88 0.15 -5.08 113.62 103.79 2jy9 n SER 46 Ca 0.08 0.94 0.00 0.00 -1.33 0.00 0.00 58.87 58.55 2jy9 n SER 46 Cb 0.09 -3.72 0.00 0.00 -0.75 0.00 0.00 64.21 59.82 2jy9 n SER 46 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jy9 n GLY 47 N 1.27 -1.59 3.78 0.46 0.00 -1.26 -5.01 105.19 102.84 2jy9 n GLY 47 Ca 0.00 0.36 -0.37 0.00 0.00 0.00 0.00 46.02 46.01 2jy9 n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jy9 s LEU 48 N -5.62 4.16 0.66 0.99 1.43 -1.26 -4.99 118.68 114.04 2jy9 s LEU 48 Ca 0.00 2.02 -0.17 0.00 -1.03 0.00 0.00 54.13 54.95 2jy9 s LEU 48 Cb 0.00 -4.17 -0.03 0.00 0.03 0.00 0.00 46.19 42.03 2jy9 s LEU 48 CO 0.00 -0.45 0.95 -2.65 0.23 0.00 0.00 176.35 174.44 2jy9 n PRO 49 N -0.00 0.72 0.30 1.29 -0.02 -1.26 -4.74 135.00 131.28 2jy9 n PRO 49 Ca 0.05 0.29 0.19 0.00 -2.02 0.00 0.00 63.50 62.01 2jy9 n PRO 49 Cb 0.50 -2.18 0.91 0.00 -0.02 0.00 0.00 33.50 32.71 2jy9 n PRO 49 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2jy9 h GLU 50 N 0.15 0.00 0.00 -0.52 4.81 -1.98 0.38 114.58 117.43 2jy9 h GLU 50 Ca -0.48 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 58.69 2jy9 h GLU 50 Cb 1.35 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.73 2jy9 h GLU 50 CO 0.49 0.01 -0.27 1.88 -0.73 0.00 0.00 179.01 180.39 2jy9 h TYR 51 N 0.00 0.00 0.12 0.92 -1.99 -2.00 0.29 116.97 114.31 2jy9 h TYR 51 Ca -0.00 0.00 -0.29 0.00 2.00 0.00 0.00 58.73 60.44 2jy9 h TYR 51 Cb 0.29 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.01 2jy9 h TYR 51 CO 0.00 0.27 -1.37 1.88 -0.00 0.00 0.00 178.16 178.95 2jy9 h TYR 52 N 0.00 0.44 -0.94 4.88 -1.99 -1.29 -3.29 116.97 114.78 2jy9 h TYR 52 Ca -0.00 -0.32 0.02 0.00 2.00 0.00 0.00 58.73 60.43 2jy9 h TYR 52 Cb 0.64 -0.02 -0.05 0.00 2.00 0.00 0.00 36.73 39.30 2jy9 h TYR 52 CO 0.00 1.30 0.62 -0.22 -0.00 0.00 0.00 178.16 179.86 2jy9 h LYS 53 N 0.07 1.20 -0.57 4.88 3.11 -0.65 -2.23 116.57 122.38 2jy9 h LYS 53 Ca -0.18 -0.07 -0.00 0.00 -2.81 0.00 0.00 60.65 57.59 2jy9 h LYS 53 Cb 1.98 -0.27 -0.03 0.00 -1.00 0.00 0.00 32.23 32.92 2jy9 h LYS 53 CO 0.18 0.79 0.34 1.96 -2.81 0.00 0.00 179.45 179.92 2jy9 h GLN 54 N 1.24 0.77 -0.27 1.90 1.08 -0.56 -2.43 115.11 116.83 2jy9 h GLN 54 Ca 0.36 -0.07 0.04 0.00 -1.45 0.00 0.00 58.65 57.53 2jy9 h GLN 54 Cb -0.08 -0.16 -0.04 0.00 -0.05 0.00 0.00 27.48 27.15 2jy9 h GLN 54 CO -0.10 0.55 0.02 0.00 -0.95 0.00 0.00 178.83 178.35 2jy9 h ARG 55 N 0.76 0.10 0.00 1.46 2.47 -1.49 -1.23 114.38 116.46 2jy9 h ARG 55 Ca 0.20 -0.01 -0.05 0.00 -1.26 0.00 0.00 59.98 58.87 2jy9 h ARG 55 Cb -0.02 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.27 2jy9 h ARG 55 CO -0.04 0.07 -0.23 -0.07 0.56 0.00 0.00 179.97 180.26 2jy9 h LEU 56 N 0.11 0.00 0.00 3.04 3.38 -1.22 -1.54 115.31 119.07 2jy9 h LEU 56 Ca 0.13 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 2jy9 h LEU 56 Cb 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2jy9 h LEU 56 CO -0.20 0.23 -0.79 -0.07 0.09 0.00 0.00 178.44 177.70 2jy9 h LEU 57 N 0.00 0.00 0.08 1.67 3.38 -0.96 -3.33 115.31 116.15 2jy9 h LEU 57 Ca -0.00 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.68 2jy9 h LEU 57 Cb 0.45 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 2jy9 h LEU 57 CO 0.03 0.25 -1.45 0.71 0.09 0.00 0.00 178.44 178.08 2jy9 h THR 58 N 0.00 1.23 -3.51 0.22 1.35 -0.65 -3.43 112.91 108.13 2jy9 h THR 58 Ca -0.04 -2.91 -0.70 0.00 -0.55 0.00 0.00 66.41 62.21 2jy9 h THR 58 Cb 1.23 2.74 -0.34 0.00 -1.73 0.00 0.00 68.15 70.05 2jy9 h THR 58 CO 0.03 0.81 -0.56 0.00 -0.25 0.00 0.00 175.52 175.55 2jy9 s ALA 59 N -2.63 3.14 -0.63 6.62 0.00 -0.64 -5.04 121.76 122.59 2jy9 s ALA 59 Ca -0.06 -2.45 -0.26 0.00 0.00 0.00 0.00 51.96 49.19 2jy9 s ALA 59 Cb 0.08 -2.39 -0.03 0.00 0.00 0.00 0.00 23.12 20.77 2jy9 s ALA 59 CO 0.84 -1.75 1.92 -1.12 0.00 0.00 0.00 175.76 175.66 2jy9 s SER 60 N 1.81 5.17 -0.40 0.00 0.01 -1.26 -4.76 113.70 114.26 2jy9 s SER 60 Ca 0.07 0.32 0.06 0.00 1.31 0.00 0.00 55.95 57.70 2jy9 s SER 60 Cb -0.23 -2.53 0.69 0.00 0.21 0.00 0.00 66.02 64.17 2jy9 s SER 60 CO -0.04 -2.47 1.87 1.57 0.41 0.00 0.00 173.24 174.58 2jy9 n HIS 61 N 13.21 2.83 0.00 2.43 -0.00 -1.26 -4.93 115.22 127.49 2jy9 n HIS 61 Ca 0.24 -1.59 0.00 0.00 -0.00 0.00 0.00 57.72 56.36 2jy9 n HIS 61 Cb 0.52 -0.85 0.00 0.00 -0.00 0.00 0.00 29.99 29.66 2jy9 n HIS 61 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2jy9 n HIS 62 N -0.76 0.00 0.31 1.57 8.25 -1.26 -4.28 115.22 119.06 2jy9 n HIS 62 Ca 0.52 0.00 0.20 0.00 -0.26 0.00 0.00 57.72 58.18 2jy9 n HIS 62 Cb 1.56 0.00 0.97 0.00 1.12 0.00 0.00 29.99 33.64 2jy9 n HIS 62 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2jy9 h LEU 63 N 0.00 0.00 -9.21 2.41 4.07 -1.75 -3.33 115.31 107.50 2jy9 h LEU 63 Ca 0.00 0.00 -0.57 0.00 0.08 0.00 0.00 57.88 57.39 2jy9 h LEU 63 Cb 0.00 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 41.68 2jy9 h LEU 63 CO 0.00 0.00 0.47 -0.63 -1.08 0.00 0.00 178.44 177.20 2jy9 s ILE 64 N -3.92 4.84 0.03 1.22 -1.09 -1.26 -3.47 121.20 117.55 2jy9 s ILE 64 Ca -0.02 1.82 -0.14 0.00 -2.23 0.00 0.00 60.65 60.07 2jy9 s ILE 64 Cb 0.11 -4.22 -0.07 0.00 -1.58 0.00 0.00 42.46 36.70 2jy9 s ILE 64 CO 0.46 0.02 1.22 0.28 -1.23 0.00 0.00 174.94 175.68 2jy9 h SER 65 N 7.22 -0.50 0.00 3.58 0.02 -1.56 -3.43 113.55 118.87 2jy9 h SER 65 Ca -0.30 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 2jy9 h SER 65 Cb 1.14 0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.83 2jy9 h SER 65 CO 0.85 -0.29 0.00 -0.67 -1.14 0.00 0.00 176.83 175.58 2jy9 n ASP 66 N -3.49 0.00 0.12 3.07 2.03 -1.26 -4.98 116.55 112.04 2jy9 n ASP 66 Ca -0.06 0.00 0.02 0.00 0.52 0.00 0.00 54.79 55.27 2jy9 n ASP 66 Cb 0.19 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.60 2jy9 n ASP 66 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 2jy9 h ASP 67 N 0.00 0.00 0.00 1.67 3.32 -1.98 -3.47 116.42 115.96 2jy9 h ASP 67 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2jy9 h ASP 67 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2jy9 h ASP 67 CO 0.00 0.54 0.00 0.61 -1.72 0.00 0.00 179.24 178.67 2jy9 n GLY 68 N 1.25 0.19 2.95 2.75 0.00 -1.26 -4.98 105.19 106.09 2jy9 n GLY 68 Ca 0.01 -0.08 -0.12 0.00 0.00 0.00 0.00 46.02 45.82 2jy9 n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jy9 s VAL 69 N 0.00 0.21 -0.23 1.61 0.11 -1.26 -2.38 120.40 118.46 2jy9 s VAL 69 Ca 0.00 -0.45 -0.01 0.00 -2.93 0.00 0.00 61.98 58.58 2jy9 s VAL 69 Cb 0.00 -0.25 0.02 0.00 -1.53 0.00 0.00 36.38 34.62 2jy9 s VAL 69 CO 0.00 -0.16 -0.09 -0.63 -3.33 0.00 0.00 175.10 170.89 2jy9 s ILE 70 N -0.62 2.80 -0.23 7.04 1.01 -0.08 -2.07 121.20 129.06 2jy9 s ILE 70 Ca -0.05 -0.90 -0.08 0.00 0.00 0.00 0.00 60.65 59.63 2jy9 s ILE 70 Cb -0.05 -2.35 -0.03 0.00 0.01 0.00 0.00 42.46 40.04 2jy9 s ILE 70 CO -0.00 0.32 0.08 -0.63 0.00 0.00 0.00 174.94 174.70 2jy9 s ILE 71 N 1.35 4.53 -0.19 2.92 1.09 -1.23 0.51 121.20 130.17 2jy9 s ILE 71 Ca 0.02 -0.11 -0.11 0.00 -1.10 0.00 0.00 60.65 59.35 2jy9 s ILE 71 Cb -0.15 -3.09 -0.05 0.00 -1.06 0.00 0.00 42.46 38.10 2jy9 s ILE 71 CO -0.06 0.37 0.18 -0.63 -0.10 0.00 0.00 174.94 174.70 2jy9 s ILE 72 N 1.22 5.37 -0.45 2.92 1.09 -0.03 -4.78 121.20 126.54 2jy9 s ILE 72 Ca 0.05 0.29 -0.07 0.00 -1.10 0.00 0.00 60.65 59.83 2jy9 s ILE 72 Cb -0.14 -3.52 0.12 0.00 -1.06 0.00 0.00 42.46 37.85 2jy9 s ILE 72 CO 0.04 0.41 0.30 -0.75 -0.10 0.00 0.00 174.94 174.84 2jy9 s LYS 73 N 0.47 2.30 -0.21 2.79 2.20 -1.26 -2.88 119.74 123.15 2jy9 s LYS 73 Ca 0.10 -1.81 -0.06 0.00 -0.36 0.00 0.00 55.97 53.85 2jy9 s LYS 73 Cb -0.12 -3.79 -0.03 0.00 -1.51 0.00 0.00 37.83 32.38 2jy9 s LYS 73 CO 0.00 -1.15 0.02 0.00 -0.36 0.00 0.00 175.35 173.87 2jy9 s ALA 74 N 1.23 3.11 -0.29 3.13 0.00 -0.34 -5.02 121.76 123.59 2jy9 s ALA 74 Ca 0.07 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 51.04 2jy9 s ALA 74 Cb -0.25 -1.86 0.18 0.00 0.00 0.00 0.00 23.12 21.19 2jy9 s ALA 74 CO -0.02 -0.18 0.54 1.14 0.00 0.00 0.00 175.76 177.24 2jy9 s GLN 75 N 1.05 0.51 0.00 0.00 0.00 -1.26 -0.35 119.66 119.61 2jy9 s GLN 75 Ca 0.03 0.77 0.00 0.00 -0.00 0.00 0.00 55.36 56.16 2jy9 s GLN 75 Cb -0.14 0.23 0.00 0.00 0.00 0.00 0.00 33.01 33.10 2jy9 s GLN 75 CO 0.02 -0.73 0.00 -1.91 0.00 0.00 0.00 175.29 172.67 2jy9 n GLU 76 N 5.41 0.00 -4.23 9.60 2.13 -1.26 -5.10 120.64 127.19 2jy9 n GLU 76 Ca -0.00 0.00 -0.27 0.00 0.66 0.00 0.00 57.16 57.55 2jy9 n GLU 76 Cb 0.51 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.16 2jy9 n GLU 76 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 2jy9 s PHE 77 N -0.31 2.21 -1.63 4.31 5.36 -1.26 -5.01 117.98 121.65 2jy9 s PHE 77 Ca 0.00 -0.73 0.26 0.00 -0.96 0.00 0.00 56.93 55.50 2jy9 s PHE 77 Cb 0.00 -1.87 1.42 0.00 -0.34 0.00 0.00 43.02 42.23 2jy9 s PHE 77 CO 0.00 0.05 1.91 2.89 -1.46 0.00 0.00 175.22 178.61 2jy9 n ARG 78 N -1.36 0.54 -3.35 10.12 1.85 -1.26 -4.61 116.66 118.58 2jy9 n ARG 78 Ca -0.05 0.03 -0.42 0.00 -1.00 0.00 0.00 57.85 56.40 2jy9 n ARG 78 Cb 0.65 -1.50 -0.09 0.00 -1.05 0.00 0.00 32.46 30.47 2jy9 n ARG 78 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 2jy9 s SER 79 N -2.37 6.18 0.39 2.89 0.01 -1.26 -4.94 113.70 114.61 2jy9 s SER 79 Ca 0.30 -0.57 0.08 0.00 1.31 0.00 0.00 55.95 57.07 2jy9 s SER 79 Cb 0.18 -2.21 0.80 0.00 0.21 0.00 0.00 66.02 65.00 2jy9 s SER 79 CO 0.37 -0.50 1.96 1.56 0.41 0.00 0.00 173.24 177.03 2jy9 h GLN 80 N 8.65 0.36 0.18 12.44 7.50 -1.93 -2.90 115.11 139.41 2jy9 h GLN 80 Ca -0.27 -0.06 0.01 0.00 0.50 0.00 0.00 58.65 58.83 2jy9 h GLN 80 Cb 1.12 -0.06 -0.02 0.00 0.05 0.00 0.00 27.48 28.56 2jy9 h GLN 80 CO 0.76 0.38 -0.22 1.49 -1.50 0.00 0.00 178.83 179.74 2jy9 h GLU 81 N 0.36 -0.44 -0.34 1.46 4.81 -1.97 0.33 114.58 118.79 2jy9 h GLU 81 Ca 0.08 0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.27 2jy9 h GLU 81 Cb 0.22 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 2jy9 h GLU 81 CO 0.00 -0.29 -0.12 1.37 -0.73 0.00 0.00 179.01 179.24 2jy9 h LEU 82 N -0.45 0.57 -0.86 1.64 8.10 -1.96 0.17 115.31 122.53 2jy9 h LEU 82 Ca 0.01 -0.16 -0.06 0.00 0.11 0.00 0.00 57.88 57.78 2jy9 h LEU 82 Cb 0.45 -0.15 -0.03 0.00 -0.44 0.00 0.00 40.66 40.48 2jy9 h LEU 82 CO -0.08 0.72 0.15 0.78 -4.11 0.00 0.00 178.44 175.90 2jy9 h ASN 83 N 0.54 0.94 0.01 0.17 -0.26 -1.25 0.18 115.58 115.91 2jy9 h ASN 83 Ca 0.10 -0.19 -0.00 0.00 -0.56 0.00 0.00 56.30 55.65 2jy9 h ASN 83 Cb 0.52 -0.25 0.00 0.00 -1.06 0.00 0.00 38.32 37.54 2jy9 h ASN 83 CO 0.03 0.91 -0.00 0.03 -1.06 0.00 0.00 177.43 177.34 2jy9 h ARG 84 N 0.95 -0.01 -0.50 0.81 3.08 0.48 -0.88 114.38 118.30 2jy9 h ARG 84 Ca 0.20 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.27 2jy9 h ARG 84 Cb 0.35 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.37 2jy9 h ARG 84 CO 0.00 0.26 0.31 0.93 -1.07 0.00 0.00 179.97 180.41 2jy9 h GLU 85 N -0.29 0.61 0.00 0.04 4.39 -0.83 0.59 114.58 119.08 2jy9 h GLU 85 Ca -0.00 -0.04 -0.06 0.00 0.34 0.00 0.00 59.36 59.60 2jy9 h GLU 85 Cb 0.28 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 2jy9 h GLU 85 CO 0.00 0.40 -0.28 0.00 -1.16 0.00 0.00 179.01 177.97 2jy9 h ALA 86 N 1.21 1.42 -0.11 3.43 0.00 -0.96 0.15 119.26 124.39 2jy9 h ALA 86 Ca 0.19 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 2jy9 h ALA 86 Cb -0.01 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 2jy9 h ALA 86 CO -0.07 0.35 -0.16 0.00 0.00 0.00 0.00 179.25 179.37 2jy9 h ALA 87 N 1.72 0.17 -0.10 0.00 0.00 -0.08 -0.84 119.26 120.12 2jy9 h ALA 87 Ca -0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 2jy9 h ALA 87 Cb 0.54 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 2jy9 h ALA 87 CO 0.04 0.07 0.02 0.82 0.00 0.00 0.00 179.25 180.20 2jy9 h ILE 88 N -0.11 1.21 0.00 0.00 2.04 -0.64 -2.61 117.51 117.39 2jy9 h ILE 88 Ca 0.01 -0.65 -0.02 0.00 1.00 0.00 0.00 64.86 65.20 2jy9 h ILE 88 Cb 0.72 1.45 -0.00 0.00 -0.74 0.00 0.00 36.82 38.25 2jy9 h ILE 88 CO 0.04 0.19 -0.08 0.00 0.00 0.00 0.00 178.15 178.30 2jy9 h ALA 89 N 0.80 1.42 -0.06 1.87 0.00 -0.78 -1.76 119.26 120.75 2jy9 h ALA 89 Ca 0.03 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2jy9 h ALA 89 Cb 0.28 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 2jy9 h ALA 89 CO 0.00 0.10 0.00 -0.09 0.00 0.00 0.00 179.25 179.26 2jy9 h ARG 90 N 0.00 0.10 -0.21 0.00 9.65 -0.79 -1.82 114.38 121.30 2jy9 h ARG 90 Ca -0.00 -0.03 -0.13 0.00 -1.10 0.00 0.00 59.98 58.72 2jy9 h ARG 90 Cb 0.21 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.77 2jy9 h ARG 90 CO 0.01 0.35 -0.43 1.37 2.80 0.00 0.00 179.97 184.07 2jy9 h LEU 91 N -0.17 0.56 -0.89 3.80 8.10 -1.08 -1.88 115.31 123.74 2jy9 h LEU 91 Ca 0.02 -0.25 -0.03 0.00 0.11 0.00 0.00 57.88 57.72 2jy9 h LEU 91 Cb 0.31 -0.16 -0.04 0.00 -0.44 0.00 0.00 40.66 40.33 2jy9 h LEU 91 CO 0.00 0.91 0.40 0.58 -4.11 0.00 0.00 178.44 176.23 2jy9 h VAL 92 N 0.43 1.26 -0.46 0.15 2.07 -1.33 -0.95 116.25 117.40 2jy9 h VAL 92 Ca 0.03 -0.72 -0.03 0.00 0.82 0.00 0.00 66.70 66.81 2jy9 h VAL 92 Cb 0.92 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 2jy9 h VAL 92 CO 0.08 0.31 0.19 0.00 0.02 0.00 0.00 177.57 178.16 2jy9 h ALA 93 N 1.25 0.60 -0.66 1.67 0.00 -0.94 -2.13 119.26 119.05 2jy9 h ALA 93 Ca 0.29 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.09 2jy9 h ALA 93 Cb 0.12 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 2jy9 h ALA 93 CO -0.04 0.21 0.40 0.28 0.00 0.00 0.00 179.25 180.10 2jy9 h VAL 94 N 0.61 1.05 -0.77 0.00 2.07 -0.87 0.48 116.25 118.82 2jy9 h VAL 94 Ca 0.15 -0.26 0.05 0.00 0.82 0.00 0.00 66.70 67.46 2jy9 h VAL 94 Cb 0.19 0.21 -0.06 0.00 -1.52 0.00 0.00 31.29 30.12 2jy9 h VAL 94 CO -0.01 0.14 0.47 0.40 0.02 0.00 0.00 177.57 178.58 2jy9 h ILE 95 N 0.77 1.03 -0.05 4.57 2.04 -0.92 -2.13 117.51 122.83 2jy9 h ILE 95 Ca 0.28 -0.30 -0.13 0.00 1.00 0.00 0.00 64.86 65.71 2jy9 h ILE 95 Cb 0.07 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.23 2jy9 h ILE 95 CO -0.13 0.16 -0.57 0.11 0.00 0.00 0.00 178.15 177.72 2jy9 h LYS 96 N 0.87 0.15 0.00 2.37 1.57 -0.65 -1.01 116.57 119.86 2jy9 h LYS 96 Ca 0.33 -0.10 -0.07 0.00 -1.87 0.00 0.00 60.65 58.94 2jy9 h LYS 96 Cb 0.14 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 2jy9 h LYS 96 CO -0.16 0.68 -0.35 0.93 -0.57 0.00 0.00 179.45 179.98 2jy9 h GLU 97 N 0.12 0.00 0.01 3.15 5.08 -0.29 -0.13 114.58 122.52 2jy9 h GLU 97 Ca -0.00 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.03 2jy9 h GLU 97 Cb 1.04 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.23 2jy9 h GLU 97 CO 0.08 0.35 -1.95 1.28 -1.00 0.00 0.00 179.01 177.77 2jy9 n LEU 98 N -3.87 0.80 0.01 1.33 4.32 -0.97 -3.15 117.00 115.48 2jy9 n LEU 98 Ca -0.01 0.26 -0.18 0.00 -0.02 0.00 0.00 56.01 56.06 2jy9 n LEU 98 Cb 0.42 0.15 -0.12 0.00 -1.62 0.00 0.00 43.42 42.25 2jy9 n LEU 98 CO 0.37 0.47 0.20 0.71 -1.22 0.00 0.00 177.39 177.92 2jy9 h THR 99 N 0.00 1.49 -2.74 -5.08 1.35 -1.11 -3.45 112.91 103.38 2jy9 h THR 99 Ca -0.38 -2.23 -0.55 0.00 -0.55 0.00 0.00 66.41 62.69 2jy9 h THR 99 Cb 2.08 2.86 -0.03 0.00 -1.73 0.00 0.00 68.15 71.33 2jy9 h THR 99 CO 0.06 0.64 -0.42 0.00 -0.25 0.00 0.00 175.52 175.55 2jy9 s ALA 100 N -2.89 3.92 -0.91 6.62 0.00 -0.07 -5.01 121.76 123.42 2jy9 s ALA 100 Ca -0.14 -0.91 -0.24 0.00 0.00 0.00 0.00 51.96 50.67 2jy9 s ALA 100 Cb 0.02 -1.88 -0.01 0.00 0.00 0.00 0.00 23.12 21.25 2jy9 s ALA 100 CO 0.81 0.56 1.77 -1.21 0.00 0.00 0.00 175.76 177.69 2jy9 s GLU 101 N -3.12 2.88 0.00 0.00 2.02 -1.26 -4.49 118.70 114.74 2jy9 s GLU 101 Ca 0.36 -0.46 0.00 0.00 0.02 0.00 0.00 54.97 54.90 2jy9 s GLU 101 Cb -0.11 -5.06 0.00 0.00 0.10 0.00 0.00 34.13 29.05 2jy9 s GLU 101 CO 0.28 -2.94 0.00 0.94 0.02 0.00 0.00 175.26 173.56 2jy9 n GLN 102 N 8.91 0.00 -2.72 1.61 -0.06 -1.22 -5.11 117.38 118.79 2jy9 n GLN 102 Ca 0.35 0.00 -0.02 0.00 -2.00 0.00 0.00 57.00 55.33 2jy9 n GLN 102 Cb 0.49 0.00 -0.02 0.00 -4.06 0.00 0.00 30.24 26.65 2jy9 n GLN 102 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 2jy9 n LYS 103 N -1.88 -3.65 -4.05 3.69 5.02 -1.19 -5.06 118.16 111.05 2jy9 n LYS 103 Ca 0.00 2.87 -0.25 0.00 -2.02 0.00 0.00 58.31 58.91 2jy9 n LYS 103 Cb 0.00 -4.73 -0.05 0.00 -0.02 0.00 0.00 35.03 30.22 2jy9 n LYS 103 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2jy9 s SER 104 N -1.11 4.53 0.22 4.39 0.15 -1.26 -5.13 113.70 115.50 2jy9 s SER 104 Ca -0.12 -1.10 -0.16 0.00 0.70 0.00 0.00 55.95 55.27 2jy9 s SER 104 Cb 0.01 -0.25 -0.08 0.00 -1.71 0.00 0.00 66.02 63.99 2jy9 s SER 104 CO 0.70 -0.69 0.65 -0.13 1.20 0.00 0.00 173.24 174.97 2jy9 s ARG 105 N -4.01 4.06 -0.30 5.44 0.52 -1.26 -5.06 118.95 118.35 2jy9 s ARG 105 Ca 0.38 0.64 -0.12 0.00 -0.52 0.00 0.00 55.73 56.11 2jy9 s ARG 105 Cb 0.02 -2.77 0.18 0.00 0.52 0.00 0.00 34.95 32.89 2jy9 s ARG 105 CO 0.22 0.36 1.02 0.50 0.02 0.00 0.00 175.30 177.42 2jy9 s ARG 106 N -2.28 0.20 -1.03 3.54 3.52 -1.26 -5.11 118.95 116.54 2jy9 s ARG 106 Ca 0.44 0.35 -0.13 0.00 -0.13 0.00 0.00 55.73 56.26 2jy9 s ARG 106 Cb -0.14 0.19 0.21 0.00 -1.56 0.00 0.00 34.95 33.65 2jy9 s ARG 106 CO 0.20 -0.24 1.10 0.00 -0.81 0.00 0.00 175.30 175.55 2jy9 s ALA 107 N 2.95 4.15 -0.28 6.12 0.00 -1.26 -4.71 121.76 128.72 2jy9 s ALA 107 Ca 0.03 -3.41 0.01 0.00 0.00 0.00 0.00 51.96 48.59 2jy9 s ALA 107 Cb -0.10 -3.78 0.17 0.00 0.00 0.00 0.00 23.12 19.42 2jy9 s ALA 107 CO -0.13 -2.50 0.49 0.99 0.00 0.00 0.00 175.76 174.62 2jy9 s THR 108 N 0.48 -0.80 -0.33 0.00 2.01 -1.26 -5.11 115.64 110.63 2jy9 s THR 108 Ca 0.31 -0.11 -0.03 0.00 0.31 0.00 0.00 61.69 62.17 2jy9 s THR 108 Cb -0.07 -0.96 0.06 0.00 0.01 0.00 0.00 72.50 71.54 2jy9 s THR 108 CO -0.07 -0.11 0.06 -0.60 -0.69 0.00 0.00 174.62 173.21 2jy9 s ARG 109 N 2.69 2.37 -0.09 4.92 3.52 -1.25 -2.33 118.95 128.78 2jy9 s ARG 109 Ca 0.13 -1.37 -0.16 0.00 -0.13 0.00 0.00 55.73 54.20 2jy9 s ARG 109 Cb -0.13 -3.31 -0.05 0.00 -1.56 0.00 0.00 34.95 29.90 2jy9 s ARG 109 CO -0.24 -0.72 0.42 -1.25 -0.81 0.00 0.00 175.30 172.70 2jy9 s PRO 110 N 1.26 4.22 -0.43 5.12 0.04 -1.26 -5.04 135.00 138.90 2jy9 s PRO 110 Ca -0.02 0.37 0.00 0.00 0.04 0.00 0.00 61.00 61.40 2jy9 s PRO 110 Cb -0.20 -3.38 0.12 0.00 0.04 0.00 0.00 34.50 31.08 2jy9 s PRO 110 CO -0.01 0.31 0.19 0.99 0.04 0.00 0.00 177.00 178.53 2jy9 s THR 111 N 0.14 2.93 -0.33 1.26 2.01 -1.26 -4.07 115.64 116.32 2jy9 s THR 111 Ca 0.24 -2.43 -0.01 0.00 0.31 0.00 0.00 61.69 59.80 2jy9 s THR 111 Cb -0.15 -3.04 0.19 0.00 0.01 0.00 0.00 72.50 69.51 2jy9 s THR 111 CO 0.10 -0.70 0.81 -0.13 -0.69 0.00 0.00 174.62 174.00 2jy9 s ARG 112 N 0.72 0.46 0.14 4.92 0.52 -1.26 -5.16 118.95 119.28 2jy9 s ARG 112 Ca 0.11 0.09 0.09 0.00 -0.52 0.00 0.00 55.73 55.50 2jy9 s ARG 112 Cb -0.22 0.11 -0.04 0.00 0.52 0.00 0.00 34.95 35.33 2jy9 s ARG 112 CO -0.05 -0.74 -0.17 0.00 0.02 0.00 0.00 175.30 174.37 2jy9 s ALA 113 N 2.38 2.73 -0.30 2.13 0.00 -1.26 -4.99 121.76 122.45 2jy9 s ALA 113 Ca 0.17 -1.40 0.02 0.00 0.00 0.00 0.00 51.96 50.75 2jy9 s ALA 113 Cb -0.03 -0.64 0.07 0.00 0.00 0.00 0.00 23.12 22.52 2jy9 s ALA 113 CO -0.17 0.55 -0.02 -1.12 0.00 0.00 0.00 175.76 175.00 2jy9 s SER 114 N -2.34 4.68 -0.10 0.00 0.01 -1.26 -5.10 113.70 109.59 2jy9 s SER 114 Ca 0.20 -1.66 0.04 0.00 1.31 0.00 0.00 55.95 55.84 2jy9 s SER 114 Cb -0.10 -1.62 -0.00 0.00 0.21 0.00 0.00 66.02 64.51 2jy9 s SER 114 CO 0.11 -0.29 -0.24 -0.75 0.41 0.00 0.00 173.24 172.49 2jy9 s LYS 115 N 1.07 3.05 -0.01 12.44 2.20 -1.26 -4.84 119.74 132.38 2jy9 s LYS 115 Ca -0.01 -0.87 -0.21 0.00 -0.36 0.00 0.00 55.97 54.51 2jy9 s LYS 115 Cb -0.20 -2.31 0.04 0.00 -1.51 0.00 0.00 37.83 33.86 2jy9 s LYS 115 CO -0.05 0.19 0.47 -1.83 -0.36 0.00 0.00 175.35 173.76 2jy9 s GLU 116 N 0.32 0.87 -0.33 4.03 -1.05 -1.26 -5.13 118.70 116.16 2jy9 s GLU 116 Ca -0.18 -0.07 -0.01 0.00 -0.15 0.00 0.00 54.97 54.56 2jy9 s GLU 116 Cb -0.18 0.40 0.13 0.00 -0.44 0.00 0.00 34.13 34.04 2jy9 s GLU 116 CO 0.09 -0.27 0.23 1.03 0.95 0.00 0.00 175.26 177.28 2jy9 s ARG 117 N -1.56 0.42 0.17 -4.83 0.52 -1.26 -5.11 118.95 107.30 2jy9 s ARG 117 Ca -0.11 -0.85 -0.08 0.00 -0.52 0.00 0.00 55.73 54.17 2jy9 s ARG 117 Cb -0.02 -1.07 -0.06 0.00 0.52 0.00 0.00 34.95 34.32 2jy9 s ARG 117 CO 0.05 -1.13 0.47 1.03 0.02 0.00 0.00 175.30 175.74 2jy9 s ARG 118 N 1.62 3.75 0.14 3.54 0.52 -1.26 -5.11 118.95 122.16 2jy9 s ARG 118 Ca 0.14 0.16 0.06 0.00 -0.52 0.00 0.00 55.73 55.57 2jy9 s ARG 118 Cb -0.18 -2.79 -0.04 0.00 0.52 0.00 0.00 34.95 32.46 2jy9 s ARG 118 CO -0.16 0.42 -0.13 -0.48 0.02 0.00 0.00 175.30 174.97 2jy9 s LEU 119 N -2.55 2.47 -0.21 2.53 0.05 -1.26 -5.15 118.68 114.56 2jy9 s LEU 119 Ca 0.42 -0.90 -0.07 0.00 0.05 0.00 0.00 54.13 53.63 2jy9 s LEU 119 Cb -0.12 -0.52 0.09 0.00 -2.05 0.00 0.00 46.19 43.59 2jy9 s LEU 119 CO 0.22 -0.20 0.44 -0.44 -0.55 0.00 0.00 176.35 175.82 2jy9 s SER 120 N -2.81 -0.34 -0.22 1.48 0.01 -1.26 -5.13 113.70 105.43 2jy9 s SER 120 Ca 0.14 1.04 -0.03 0.00 1.31 0.00 0.00 55.95 58.40 2jy9 s SER 120 Cb -0.02 1.40 0.11 0.00 0.21 0.00 0.00 66.02 67.72 2jy9 s SER 120 CO 0.03 -0.23 0.27 -0.44 0.41 0.00 0.00 173.24 173.29 2jy9 s SER 121 N 2.58 1.09 0.04 2.44 0.01 -1.26 -5.14 113.70 113.46 2jy9 s SER 121 Ca -0.02 -0.16 0.06 0.00 1.31 0.00 0.00 55.95 57.14 2jy9 s SER 121 Cb -0.12 0.60 -0.02 0.00 0.21 0.00 0.00 66.02 66.69 2jy9 s SER 121 CO -0.13 -0.33 -0.18 -1.59 0.41 0.00 0.00 173.24 171.42 2jy9 s LYS 122 N 2.39 1.24 -0.02 12.44 0.00 -1.26 -5.15 119.74 129.38 2jy9 s LYS 122 Ca 0.09 -0.86 0.00 0.00 0.00 0.00 0.00 55.97 55.20 2jy9 s LYS 122 Cb -0.15 -1.31 0.02 0.00 0.00 0.00 0.00 37.83 36.39 2jy9 s LYS 122 CO -0.15 0.33 0.01 0.00 0.00 0.00 0.00 175.35 175.53 2jy9 s ALA 123 N -0.79 0.20 0.07 0.59 0.00 -1.26 -5.15 121.76 115.42 2jy9 s ALA 123 Ca 0.06 0.17 0.05 0.00 0.00 0.00 0.00 51.96 52.23 2jy9 s ALA 123 Cb -0.08 -0.24 -0.03 0.00 0.00 0.00 0.00 23.12 22.77 2jy9 s ALA 123 CO 0.01 -0.06 -0.14 -0.65 0.00 0.00 0.00 175.76 174.93 2jy9 s GLN 124 N 0.82 0.81 -0.11 0.00 -0.21 -1.26 -5.15 119.66 114.56 2jy9 s GLN 124 Ca -0.08 -0.92 -0.07 0.00 0.02 0.00 0.00 55.36 54.31 2jy9 s GLN 124 Cb -0.11 -0.81 0.04 0.00 1.00 0.00 0.00 33.01 33.13 2jy9 s GLN 124 CO -0.02 0.18 0.27 0.21 -2.12 0.00 0.00 175.29 173.81 2jy9 s LYS 125 N -1.66 0.26 -0.27 2.91 2.20 -1.26 -5.14 119.74 116.79 2jy9 s LYS 125 Ca -0.02 0.48 -0.03 0.00 -0.36 0.00 0.00 55.97 56.04 2jy9 s LYS 125 Cb -0.10 -0.00 0.02 0.00 -1.51 0.00 0.00 37.83 36.24 2jy9 s LYS 125 CO 0.02 -0.11 -0.02 -1.54 -0.36 0.00 0.00 175.35 173.34 2jy9 s SER 126 N 0.81 4.60 -0.30 1.43 1.04 -1.26 -5.07 113.70 114.95 2jy9 s SER 126 Ca -0.06 -0.86 0.03 0.00 0.48 0.00 0.00 55.95 55.54 2jy9 s SER 126 Cb -0.07 -1.73 0.08 0.00 0.10 0.00 0.00 66.02 64.40 2jy9 s SER 126 CO -0.05 -0.16 -0.02 -0.44 0.98 0.00 0.00 173.24 173.55 2jy9 s SER 127 N 1.37 4.66 -0.03 7.02 0.01 -1.26 -5.09 113.70 120.38 2jy9 s SER 127 Ca 0.00 -1.76 0.02 0.00 1.31 0.00 0.00 55.95 55.52 2jy9 s SER 127 Cb -0.17 -1.61 0.01 0.00 0.21 0.00 0.00 66.02 64.46 2jy9 s SER 127 CO -0.02 -0.29 -0.06 0.68 0.41 0.00 0.00 173.24 173.96 2jy9 s VAL 128 N 1.02 0.56 -0.30 3.43 -7.23 -1.26 -5.12 120.40 111.50 2jy9 s VAL 128 Ca 0.01 -0.21 -0.12 0.00 -1.81 0.00 0.00 61.98 59.85 2jy9 s VAL 128 Cb -0.20 -0.54 0.15 0.00 0.56 0.00 0.00 36.38 36.36 2jy9 s VAL 128 CO -0.06 0.20 0.83 -0.75 -0.31 0.00 0.00 175.10 175.01 2jy9 s LYS 129 N 0.46 0.42 -0.20 4.82 2.20 -1.26 -5.14 119.74 121.04 2jy9 s LYS 129 Ca -0.06 1.02 -0.03 0.00 -0.36 0.00 0.00 55.97 56.53 2jy9 s LYS 129 Cb -0.10 0.61 0.06 0.00 -1.51 0.00 0.00 37.83 36.89 2jy9 s LYS 129 CO 0.00 -0.18 0.05 0.00 -0.36 0.00 0.00 175.35 174.86 2jy9 s ALA 130 N 2.68 0.96 0.43 3.13 0.00 -1.26 -5.14 121.76 122.56 2jy9 s ALA 130 Ca -0.02 -0.71 0.07 0.00 0.00 0.00 0.00 51.96 51.30 2jy9 s ALA 130 Cb -0.09 -1.19 -0.03 0.00 0.00 0.00 0.00 23.12 21.81 2jy9 s ALA 130 CO -0.18 -1.21 0.27 -0.51 0.00 0.00 0.00 175.76 174.14 2jy9 s LEU 131 N 1.88 3.13 -0.03 0.00 2.01 -1.26 -5.15 118.68 119.27 2jy9 s LEU 131 Ca -0.00 -1.00 -0.15 0.00 0.01 0.00 0.00 54.13 52.99 2jy9 s LEU 131 Cb -0.17 -1.59 0.03 0.00 0.01 0.00 0.00 46.19 44.46 2jy9 s LEU 131 CO -0.09 -0.67 0.33 0.00 1.01 0.00 0.00 176.35 176.93 2jy9 s ARG 132 N -4.03 0.65 0.50 1.70 1.70 -1.26 -5.18 118.95 113.02 2jy9 s ARG 132 Ca 0.42 -0.08 0.01 0.00 -0.47 0.00 0.00 55.73 55.61 2jy9 s ARG 132 Cb 0.01 0.29 -0.01 0.00 -0.57 0.00 0.00 34.95 34.67 2jy9 s ARG 132 CO 0.24 -0.17 0.04 0.20 -1.08 0.00 0.00 175.30 174.53 2jy9 s GLY 133 N -1.12 3.00 0.04 3.88 0.00 -1.26 -5.15 107.32 106.71 2jy9 s GLY 133 Ca -0.12 -0.37 0.09 0.00 0.00 0.00 0.00 44.72 44.32 2jy9 s GLY 133 CO 0.04 -2.10 -0.26 1.25 0.00 0.00 0.00 173.10 172.03 2jy9 s LYS 134 N -3.83 1.79 -0.03 2.90 2.20 -1.26 -5.13 119.74 116.37 2jy9 s LYS 134 Ca 0.07 -1.07 0.01 0.00 -0.36 0.00 0.00 55.97 54.61 2jy9 s LYS 134 Cb 0.01 -1.94 -0.03 0.00 -1.51 0.00 0.00 37.83 34.36 2jy9 s LYS 134 CO 0.05 0.50 -0.02 0.54 -0.36 0.00 0.00 175.35 176.06 2jy9 s VAL 135 N -0.78 4.02 -0.03 4.02 0.11 -1.26 -5.11 120.40 121.37 2jy9 s VAL 135 Ca 0.11 -0.52 0.02 0.00 -2.93 0.00 0.00 61.98 58.66 2jy9 s VAL 135 Cb -0.10 -2.73 0.01 0.00 -1.53 0.00 0.00 36.38 32.03 2jy9 s VAL 135 CO 0.02 0.48 -0.08 0.00 -3.33 0.00 0.00 175.10 172.19 2jy9 s ARG 136 N -1.23 0.91 -0.07 1.54 1.70 -1.26 -5.15 118.95 115.40 2jy9 s ARG 136 Ca 0.16 -0.24 0.02 0.00 -0.47 0.00 0.00 55.73 55.20 2jy9 s ARG 136 Cb -0.11 -0.86 0.01 0.00 -0.57 0.00 0.00 34.95 33.42 2jy9 s ARG 136 CO 0.06 0.05 -0.12 0.50 -1.08 0.00 0.00 175.30 174.71 2jy9 s ARG 137 N 0.39 1.68 0.60 3.89 3.52 -1.26 -5.14 118.95 122.63 2jy9 s ARG 137 Ca -0.06 -0.40 -0.05 0.00 -0.13 0.00 0.00 55.73 55.09 2jy9 s ARG 137 Cb -0.10 -1.40 0.02 0.00 -1.56 0.00 0.00 34.95 31.91 2jy9 s ARG 137 CO 0.01 0.02 0.90 -1.25 -0.81 0.00 0.00 175.30 174.16 2jy9 s PRO 138 N 0.69 2.75 -0.19 5.12 0.04 -1.26 -5.11 135.00 137.04 2jy9 s PRO 138 Ca -0.14 -0.16 -0.04 0.00 0.04 0.00 0.00 61.00 60.70 2jy9 s PRO 138 Cb -0.16 -2.29 0.10 0.00 0.04 0.00 0.00 34.50 32.19 2jy9 s PRO 138 CO 0.03 -0.78 0.29 -1.17 0.04 0.00 0.00 177.00 175.42 2jy9 s LEU 139 N -4.99 -0.36 -0.17 -3.56 2.96 -1.26 -5.14 118.68 106.16 2jy9 s LEU 139 Ca 0.55 0.24 -0.08 0.00 -0.22 0.00 0.00 54.13 54.62 2jy9 s LEU 139 Cb -0.11 0.76 -0.04 0.00 0.50 0.00 0.00 46.19 47.30 2jy9 s LEU 139 CO 0.44 -0.29 0.10 1.51 -1.32 0.00 0.00 176.35 176.79 2jy9 s ASP 140 N 2.44 5.95 0.00 3.68 -4.77 -1.26 -4.95 116.67 117.75 2jy9 s ASP 140 Ca 0.06 0.21 0.16 0.00 -3.30 0.00 0.00 52.55 49.67 2jy9 s ASP 140 Cb -0.14 -2.00 0.33 0.00 -1.09 0.00 0.00 42.92 40.02 2jy9 s ASP 140 CO -0.12 0.23 1.24 0.18 0.70 0.00 0.00 175.17 177.39 2jy9 n LEU 141 N 3.18 2.97 -4.65 2.11 4.32 -1.26 -5.00 117.00 118.66 2jy9 n LEU 141 Ca -0.17 -1.64 -0.42 0.00 -0.02 0.00 0.00 56.01 53.76 2jy9 n LEU 141 Cb 0.53 -0.21 -0.03 0.00 -1.62 0.00 0.00 43.42 42.09 2jy9 n LEU 141 CO 0.35 0.68 1.40 -1.61 -1.22 0.00 0.00 177.39 176.99 2jy9 s GLU 142 N -1.12 4.08 0.16 3.23 2.02 -1.26 -4.99 118.70 120.82 2jy9 s GLU 142 Ca 0.28 2.12 0.06 0.00 0.02 0.00 0.00 54.97 57.45 2jy9 s GLU 142 Cb 0.16 -4.02 -0.04 0.00 0.10 0.00 0.00 34.13 30.33 2jy9 s GLU 142 CO 0.22 -0.97 -0.12 -3.38 0.02 0.00 0.00 175.26 171.03 2jy9 s HIS 143 N 4.40 1.43 0.41 1.61 -3.43 -1.26 -5.17 115.29 113.28 2jy9 s HIS 143 Ca 0.75 -0.66 0.07 0.00 -0.80 0.00 0.00 55.06 54.42 2jy9 s HIS 143 Cb -0.32 -0.71 -0.06 0.00 -1.43 0.00 0.00 32.58 30.06 2jy9 s HIS 143 CO 0.30 0.18 0.13 -1.58 -2.00 0.00 0.00 174.74 171.78 2jy9 s HIS 144 N -3.00 2.57 -0.15 0.38 2.46 -1.26 -5.13 115.29 111.16 2jy9 s HIS 144 Ca 0.17 -0.62 -0.04 0.00 0.47 0.00 0.00 55.06 55.05 2jy9 s HIS 144 Cb 0.00 -1.91 -0.03 0.00 -0.13 0.00 0.00 32.58 30.52 2jy9 s HIS 144 CO 0.03 0.26 -0.04 -1.58 -2.47 0.00 0.00 174.74 170.94 2jy9 s HIS 145 N -2.63 3.03 0.10 3.88 2.46 -1.26 -5.11 115.29 115.75 2jy9 s HIS 145 Ca 0.39 -0.29 -0.03 0.00 0.47 0.00 0.00 55.06 55.61 2jy9 s HIS 145 Cb 0.06 -1.95 -0.05 0.00 -0.13 0.00 0.00 32.58 30.51 2jy9 s HIS 145 CO 0.21 -0.02 0.29 -3.38 -2.47 0.00 0.00 174.74 169.37 2jy9 s HIS 146 N 0.33 3.50 -0.60 3.88 -3.43 -1.26 -5.02 115.29 112.69 2jy9 s HIS 146 Ca -0.04 0.41 -0.27 0.00 -0.80 0.00 0.00 55.06 54.36 2jy9 s HIS 146 Cb -0.14 -1.89 0.00 0.00 -1.43 0.00 0.00 32.58 29.12 2jy9 s HIS 146 CO 0.03 0.51 1.55 -3.38 -2.00 0.00 0.00 174.74 171.45 2jy9 s HIS 147 N -1.57 2.06 0.00 0.38 -3.43 -1.26 -5.37 115.29 106.10 2jy9 s HIS 147 Ca 0.38 0.48 0.00 0.00 -0.80 0.00 0.00 55.06 55.11 2jy9 s HIS 147 Cb -0.13 -4.33 0.00 0.00 -1.43 0.00 0.00 32.58 26.69 2jy9 s HIS 147 CO 0.26 -2.16 0.00 1.58 -2.00 0.00 0.00 174.74 172.42