#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jk9 s GLN 2 N 0.00 2.11 0.27 5.55 -0.21 -1.26 -1.47 119.66 124.65 1jk9 s GLN 2 Ca 0.00 -0.93 0.02 0.00 0.02 0.00 0.00 55.36 54.47 1jk9 s GLN 2 Cb 0.00 -2.09 -0.05 0.00 1.00 0.00 0.00 33.01 31.87 1jk9 s GLN 2 CO 0.00 0.56 0.08 0.00 -2.12 0.00 0.00 175.29 173.81 1jk9 s ALA 3 N -0.69 1.85 -0.18 6.09 0.00 -0.20 -1.60 121.76 127.04 1jk9 s ALA 3 Ca 0.11 -1.90 -0.28 0.00 0.00 0.00 0.00 51.96 49.89 1jk9 s ALA 3 Cb -0.10 0.93 0.09 0.00 0.00 0.00 0.00 23.12 24.04 1jk9 s ALA 3 CO 0.00 -0.41 0.80 0.54 0.00 0.00 0.00 175.76 176.69 1jk9 s VAL 4 N -3.64 0.00 -0.03 0.00 0.11 0.28 -1.12 120.40 116.00 1jk9 s VAL 4 Ca 0.37 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.45 1jk9 s VAL 4 Cb 0.08 -1.00 -0.00 0.00 -1.53 0.00 0.00 36.38 33.93 1jk9 s VAL 4 CO 0.14 0.00 -0.13 0.00 -3.33 0.00 0.00 175.10 171.77 1jk9 s ALA 5 N -0.43 1.18 -0.28 1.54 0.00 0.34 -0.65 121.76 123.46 1jk9 s ALA 5 Ca -0.04 -0.52 -0.08 0.00 0.00 0.00 0.00 51.96 51.33 1jk9 s ALA 5 Cb -0.03 -0.40 -0.01 0.00 0.00 0.00 0.00 23.12 22.69 1jk9 s ALA 5 CO 0.03 0.22 0.09 0.08 0.00 0.00 0.00 175.76 176.18 1jk9 s VAL 6 N 0.07 4.25 -0.27 0.00 1.01 -1.26 -0.85 120.40 123.35 1jk9 s VAL 6 Ca -0.02 -0.41 -0.25 0.00 0.00 0.00 0.00 61.98 61.30 1jk9 s VAL 6 Cb -0.09 -3.10 -0.00 0.00 0.00 0.00 0.00 36.38 33.19 1jk9 s VAL 6 CO 0.01 0.19 0.84 -0.76 0.00 0.00 0.00 175.10 175.38 1jk9 s LEU 7 N 1.57 4.07 0.37 3.92 1.02 0.21 -4.19 118.68 125.65 1jk9 s LEU 7 Ca 0.05 0.93 0.04 0.00 0.02 0.00 0.00 54.13 55.17 1jk9 s LEU 7 Cb -0.16 -3.18 -0.06 0.00 0.02 0.00 0.00 46.19 42.81 1jk9 s LEU 7 CO 0.04 -0.57 0.05 -0.54 0.02 0.00 0.00 176.35 175.35 1jk9 s LYS 8 N 2.93 1.79 0.00 1.70 -0.14 -0.56 -1.78 119.74 123.69 1jk9 s LYS 8 Ca 0.35 -2.02 0.00 0.00 -1.36 0.00 0.00 55.97 52.94 1jk9 s LYS 8 Cb -0.15 -1.08 0.00 0.00 -1.68 0.00 0.00 37.83 34.93 1jk9 s LYS 8 CO 0.09 -0.19 0.00 0.41 -0.76 0.00 0.00 175.35 174.90 1jk9 n GLY 9 N -0.82 3.96 1.22 -3.33 0.00 -1.26 -1.69 105.19 103.28 1jk9 n GLY 9 Ca -0.04 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1jk9 n GLY 9 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jk9 n ASP 10 N 0.00 1.36 -0.11 1.61 5.75 -1.26 -3.37 116.55 120.53 1jk9 n ASP 10 Ca 0.00 -0.96 0.01 0.00 -0.01 0.00 0.00 54.79 53.83 1jk9 n ASP 10 Cb 0.00 -0.25 0.01 0.00 -1.03 0.00 0.00 41.12 39.85 1jk9 n ASP 10 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1jk9 n ALA 11 N 1.09 2.46 -0.81 2.12 0.00 -1.26 -4.97 120.51 119.13 1jk9 n ALA 11 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 52.87 1jk9 n ALA 11 Cb 0.19 -0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.55 1jk9 n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jk9 n GLY 12 N 0.11 0.80 3.75 0.00 0.00 -1.22 -5.01 105.19 103.63 1jk9 n GLY 12 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 1jk9 n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jk9 s VAL 13 N -3.08 4.69 0.16 1.61 0.11 -1.26 -4.00 120.40 118.62 1jk9 s VAL 13 Ca 0.00 -0.16 -0.24 0.00 -2.93 0.00 0.00 61.98 58.65 1jk9 s VAL 13 Cb 0.00 -3.02 0.06 0.00 -1.53 0.00 0.00 36.38 31.89 1jk9 s VAL 13 CO 0.00 0.57 0.78 -0.94 -3.33 0.00 0.00 175.10 172.18 1jk9 s SER 14 N -1.06 -0.34 0.00 3.54 1.04 -0.72 -4.17 113.70 111.98 1jk9 s SER 14 Ca 0.15 -0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.31 1jk9 s SER 14 Cb -0.12 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.57 1jk9 s SER 14 CO 0.05 -0.99 0.00 0.61 0.98 0.00 0.00 173.24 173.88 1jk9 n GLY 15 N -0.40 -2.01 3.03 7.32 0.00 -0.73 -1.07 105.19 111.33 1jk9 n GLY 15 Ca -0.09 -1.19 -0.17 0.00 0.00 0.00 0.00 46.02 44.57 1jk9 n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jk9 s VAL 16 N -2.38 0.66 -0.09 1.61 0.11 -0.82 0.66 120.40 120.15 1jk9 s VAL 16 Ca 0.00 -0.55 0.03 0.00 -2.93 0.00 0.00 61.98 58.53 1jk9 s VAL 16 Cb 0.00 -0.59 0.01 0.00 -1.53 0.00 0.00 36.38 34.27 1jk9 s VAL 16 CO 0.00 0.05 -0.17 -0.69 -3.33 0.00 0.00 175.10 170.96 1jk9 s VAL 17 N -0.48 1.56 0.06 2.04 1.01 -0.03 -2.24 120.40 122.33 1jk9 s VAL 17 Ca 0.01 -0.72 0.07 0.00 0.00 0.00 0.00 61.98 61.34 1jk9 s VAL 17 Cb -0.05 -1.39 -0.03 0.00 0.00 0.00 0.00 36.38 34.91 1jk9 s VAL 17 CO 0.00 0.45 -0.17 -0.54 0.00 0.00 0.00 175.10 174.84 1jk9 s LYS 18 N 0.62 2.02 -0.03 2.72 1.02 0.96 -0.51 119.74 126.54 1jk9 s LYS 18 Ca -0.14 -1.02 0.05 0.00 0.02 0.00 0.00 55.97 54.87 1jk9 s LYS 18 Cb -0.16 -2.19 -0.01 0.00 -0.52 0.00 0.00 37.83 34.95 1jk9 s LYS 18 CO 0.04 0.52 -0.17 -0.06 -0.92 0.00 0.00 175.35 174.77 1jk9 s PHE 19 N -1.01 1.68 -0.05 3.18 0.40 -0.27 -0.81 117.98 121.11 1jk9 s PHE 19 Ca 0.16 -0.44 0.02 0.00 -0.60 0.00 0.00 56.93 56.07 1jk9 s PHE 19 Cb -0.11 -1.12 0.02 0.00 0.51 0.00 0.00 43.02 42.32 1jk9 s PHE 19 CO 0.07 -0.13 -0.07 -1.21 0.70 0.00 0.00 175.22 174.59 1jk9 s GLU 20 N -0.09 1.06 -0.24 0.44 0.41 -0.76 -1.03 118.70 118.47 1jk9 s GLU 20 Ca -0.01 -0.21 -0.05 0.00 -0.41 0.00 0.00 54.97 54.29 1jk9 s GLU 20 Cb -0.10 -0.97 0.13 0.00 -1.78 0.00 0.00 34.13 31.40 1jk9 s GLU 20 CO 0.01 -0.02 0.47 -1.14 -0.49 0.00 0.00 175.26 174.10 1jk9 s GLN 21 N 0.71 0.41 0.07 1.61 0.74 -0.54 0.11 119.66 122.77 1jk9 s GLN 21 Ca -0.11 0.95 -0.17 0.00 0.05 0.00 0.00 55.36 56.08 1jk9 s GLN 21 Cb -0.14 0.22 -0.12 0.00 1.10 0.00 0.00 33.01 34.08 1jk9 s GLN 21 CO 0.01 -0.42 1.37 0.00 -0.55 0.00 0.00 175.29 175.70 1jk9 h ALA 22 N 8.12 0.33 -2.62 1.58 0.00 -1.83 -0.63 119.26 124.20 1jk9 h ALA 22 Ca -0.18 -0.39 -0.12 0.00 0.00 0.00 0.00 54.91 54.21 1jk9 h ALA 22 Cb 1.13 -0.07 -0.18 0.00 0.00 0.00 0.00 17.79 18.67 1jk9 h ALA 22 CO 0.19 0.33 -0.45 -1.54 0.00 0.00 0.00 179.25 177.78 1jk9 s SER 23 N -6.44 0.06 0.29 0.00 1.04 -1.26 -4.53 113.70 102.85 1jk9 s SER 23 Ca -0.13 -0.34 0.03 0.00 0.48 0.00 0.00 55.95 55.99 1jk9 s SER 23 Cb 0.07 0.25 0.70 0.00 0.10 0.00 0.00 66.02 67.14 1jk9 s SER 23 CO 0.81 -0.49 1.68 -0.08 0.98 0.00 0.00 173.24 176.14 1jk9 h GLU 24 N 3.75 0.33 -0.08 4.02 4.81 -1.90 -2.06 114.58 123.45 1jk9 h GLU 24 Ca -0.32 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 58.88 1jk9 h GLU 24 Cb 1.19 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.49 1jk9 h GLU 24 CO 0.46 0.22 -0.01 0.66 -0.73 0.00 0.00 179.01 179.61 1jk9 h SER 25 N 0.34 0.14 -3.93 1.04 4.64 -1.96 -3.45 113.55 110.37 1jk9 h SER 25 Ca 0.54 -0.35 -0.51 0.00 -0.47 0.00 0.00 61.79 61.00 1jk9 h SER 25 Cb 1.04 -0.04 0.21 0.00 -0.31 0.00 0.00 62.40 63.30 1jk9 h SER 25 CO -0.55 0.46 0.02 -0.62 -0.87 0.00 0.00 176.83 175.27 1jk9 n GLU 26 N -4.81 -0.76 -2.40 4.77 1.02 -0.78 -4.97 120.64 112.70 1jk9 n GLU 26 Ca -0.07 -0.16 -0.32 0.00 -0.02 0.00 0.00 57.16 56.58 1jk9 n GLU 26 Cb 0.22 -2.25 -0.03 0.00 -0.02 0.00 0.00 31.44 29.36 1jk9 n GLU 26 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1jk9 s PRO 27 N -4.41 3.90 0.10 3.49 0.04 -1.26 -4.77 135.00 132.08 1jk9 s PRO 27 Ca 0.65 1.01 -0.19 0.00 0.04 0.00 0.00 61.00 62.52 1jk9 s PRO 27 Cb -0.23 -2.13 -0.07 0.00 0.04 0.00 0.00 34.50 32.12 1jk9 s PRO 27 CO 0.61 -0.32 0.59 0.99 0.04 0.00 0.00 177.00 178.91 1jk9 s THR 28 N -2.54 4.72 -0.29 1.26 2.01 -0.37 -4.68 115.64 115.75 1jk9 s THR 28 Ca 0.60 1.20 -0.08 0.00 0.31 0.00 0.00 61.69 63.71 1jk9 s THR 28 Cb -0.11 -3.89 -0.01 0.00 0.01 0.00 0.00 72.50 68.50 1jk9 s THR 28 CO 0.30 0.49 0.11 -0.89 -0.69 0.00 0.00 174.62 173.94 1jk9 s THR 29 N -1.18 4.41 -0.10 -0.82 2.01 0.12 -1.33 115.64 118.74 1jk9 s THR 29 Ca 0.31 -0.38 -0.13 0.00 0.31 0.00 0.00 61.69 61.81 1jk9 s THR 29 Cb -0.19 -3.20 -0.05 0.00 0.01 0.00 0.00 72.50 69.08 1jk9 s THR 29 CO 0.20 0.16 0.30 -0.69 -0.69 0.00 0.00 174.62 173.90 1jk9 s VAL 30 N 1.60 5.26 -0.00 3.82 1.01 0.87 -1.83 120.40 131.12 1jk9 s VAL 30 Ca 0.05 0.58 0.03 0.00 0.00 0.00 0.00 61.98 62.65 1jk9 s VAL 30 Cb -0.16 -3.62 -0.01 0.00 0.00 0.00 0.00 36.38 32.59 1jk9 s VAL 30 CO 0.05 0.49 -0.11 -0.55 0.00 0.00 0.00 175.10 174.97 1jk9 s SER 31 N -0.26 1.31 0.08 3.32 0.15 0.01 -0.86 113.70 117.45 1jk9 s SER 31 Ca 0.19 -0.22 -0.19 0.00 0.70 0.00 0.00 55.95 56.43 1jk9 s SER 31 Cb -0.14 -0.14 0.04 0.00 -1.71 0.00 0.00 66.02 64.07 1jk9 s SER 31 CO 0.07 0.13 0.45 -0.72 1.20 0.00 0.00 173.24 174.36 1jk9 s TYR 32 N -0.31 -0.30 -0.21 3.44 -0.85 0.17 -0.03 117.35 119.26 1jk9 s TYR 32 Ca 0.04 0.17 -0.08 0.00 -0.52 0.00 0.00 57.07 56.68 1jk9 s TYR 32 Cb -0.05 0.29 0.09 0.00 0.38 0.00 0.00 41.96 42.67 1jk9 s TYR 32 CO -0.00 -0.66 0.45 -2.00 -1.52 0.00 0.00 175.55 171.82 1jk9 s GLU 33 N -3.04 0.37 -0.04 -3.49 2.12 -0.95 -1.60 118.70 112.07 1jk9 s GLU 33 Ca -0.02 1.05 -0.01 0.00 0.36 0.00 0.00 54.97 56.35 1jk9 s GLU 33 Cb 0.00 0.33 0.03 0.00 0.26 0.00 0.00 34.13 34.75 1jk9 s GLU 33 CO -0.06 -0.23 0.06 0.42 -0.54 0.00 0.00 175.26 174.91 1jk9 s ILE 34 N 2.42 -0.09 0.49 -3.70 1.01 0.16 -1.95 121.20 119.54 1jk9 s ILE 34 Ca -0.04 0.31 0.07 0.00 0.00 0.00 0.00 60.65 60.99 1jk9 s ILE 34 Cb -0.11 -0.13 0.02 0.00 0.01 0.00 0.00 42.46 42.24 1jk9 s ILE 34 CO -0.14 0.13 0.46 0.00 0.00 0.00 0.00 174.94 175.39 1jk9 s ALA 35 N 1.59 4.31 0.00 9.38 0.00 -0.23 0.21 121.76 137.02 1jk9 s ALA 35 Ca -0.03 -1.71 0.00 0.00 0.00 0.00 0.00 51.96 50.22 1jk9 s ALA 35 Cb -0.12 -1.00 0.00 0.00 0.00 0.00 0.00 23.12 22.00 1jk9 s ALA 35 CO -0.03 -0.41 0.00 0.41 0.00 0.00 0.00 175.76 175.73 1jk9 n GLY 36 N -1.75 2.61 3.74 0.00 0.00 -1.22 -1.76 105.19 106.82 1jk9 n GLY 36 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 1jk9 n GLY 36 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jk9 s ASN 37 N -1.74 3.93 0.60 1.61 0.01 -0.86 -4.52 114.94 113.97 1jk9 s ASN 37 Ca 0.00 1.72 -0.20 0.00 -0.71 0.00 0.00 52.86 53.68 1jk9 s ASN 37 Cb 0.00 -2.39 -0.03 0.00 0.41 0.00 0.00 41.25 39.24 1jk9 s ASN 37 CO 0.00 -2.38 1.32 -0.44 -1.51 0.00 0.00 177.10 174.08 1jk9 s SER 38 N -3.33 4.90 0.47 -1.22 0.01 -1.26 -4.04 113.70 109.23 1jk9 s SER 38 Ca 0.63 2.67 -0.21 0.00 1.31 0.00 0.00 55.95 60.34 1jk9 s SER 38 Cb -0.18 -2.62 -0.08 0.00 0.21 0.00 0.00 66.02 63.34 1jk9 s SER 38 CO 0.57 -1.81 1.06 -2.16 0.41 0.00 0.00 173.24 171.31 1jk9 s PRO 39 N -3.19 3.85 -0.95 12.44 0.04 -1.26 -4.20 135.00 141.73 1jk9 s PRO 39 Ca 0.78 1.45 -0.11 0.00 0.04 0.00 0.00 61.00 63.16 1jk9 s PRO 39 Cb -0.38 -2.22 0.01 0.00 0.04 0.00 0.00 34.50 31.96 1jk9 s PRO 39 CO 0.43 -0.41 0.63 0.09 0.04 0.00 0.00 177.00 177.77 1jk9 n ASN 40 N -0.75 -4.60 -3.68 6.66 3.02 0.33 -4.92 115.26 111.32 1jk9 n ASN 40 Ca 0.08 -1.08 -0.10 0.00 -0.03 0.00 0.00 54.58 53.45 1jk9 n ASN 40 Cb 0.51 -1.63 -0.03 0.00 -0.61 0.00 0.00 39.78 38.02 1jk9 n ASN 40 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jk9 s ALA 41 N -3.15 -0.27 -0.08 5.41 0.00 -1.14 -4.94 121.76 117.58 1jk9 s ALA 41 Ca 0.15 -0.89 0.02 0.00 0.00 0.00 0.00 51.96 51.23 1jk9 s ALA 41 Cb -0.08 1.00 -0.02 0.00 0.00 0.00 0.00 23.12 24.01 1jk9 s ALA 41 CO 0.92 -0.89 -0.11 -1.21 0.00 0.00 0.00 175.76 174.47 1jk9 s GLU 42 N -3.57 2.84 -0.04 0.00 2.02 -1.26 -0.44 118.70 118.25 1jk9 s GLU 42 Ca 0.21 -0.65 0.03 0.00 0.02 0.00 0.00 54.97 54.59 1jk9 s GLU 42 Cb -0.02 -2.52 0.00 0.00 0.10 0.00 0.00 34.13 31.69 1jk9 s GLU 42 CO 0.11 0.51 -0.13 1.03 0.02 0.00 0.00 175.26 176.81 1jk9 s ARG 43 N -0.43 1.40 1.02 1.61 1.81 -0.52 -3.55 118.95 120.29 1jk9 s ARG 43 Ca 0.05 -0.44 -0.16 0.00 -1.72 0.00 0.00 55.73 53.47 1jk9 s ARG 43 Cb -0.12 -1.24 0.03 0.00 -0.45 0.00 0.00 34.95 33.18 1jk9 s ARG 43 CO 0.02 0.15 0.04 0.41 -0.68 0.00 0.00 175.30 175.24 1jk9 n GLY 44 N 3.33 -2.48 3.12 -3.53 0.00 0.14 -1.44 105.19 104.32 1jk9 n GLY 44 Ca -0.19 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.10 1jk9 n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1jk9 s PHE 45 N -2.28 -1.70 0.30 1.61 5.36 -0.06 -2.82 117.98 118.40 1jk9 s PHE 45 Ca 0.54 0.10 0.10 0.00 -0.96 0.00 0.00 56.93 56.70 1jk9 s PHE 45 Cb -0.16 0.32 -0.05 0.00 -0.34 0.00 0.00 43.02 42.79 1jk9 s PHE 45 CO 0.68 -1.19 -0.01 -1.01 -1.46 0.00 0.00 175.22 172.24 1jk9 s HIS 46 N 1.66 2.58 -0.29 10.12 3.76 -0.86 -1.95 115.29 130.31 1jk9 s HIS 46 Ca 0.19 -0.34 -0.02 0.00 -0.15 0.00 0.00 55.06 54.74 1jk9 s HIS 46 Cb -0.03 -1.32 0.04 0.00 1.11 0.00 0.00 32.58 32.38 1jk9 s HIS 46 CO -0.07 0.55 -0.01 0.42 -0.85 0.00 0.00 174.74 174.78 1jk9 s ILE 47 N -2.44 3.00 0.46 0.60 1.01 -0.01 -0.79 121.20 123.03 1jk9 s ILE 47 Ca 0.33 -1.26 -0.20 0.00 0.00 0.00 0.00 60.65 59.52 1jk9 s ILE 47 Cb -0.03 -2.67 -0.10 0.00 0.01 0.00 0.00 42.46 39.67 1jk9 s ILE 47 CO 0.19 -0.02 0.98 -0.36 0.00 0.00 0.00 174.94 175.73 1jk9 s PHE 48 N 1.28 3.24 0.30 3.97 0.40 -0.03 -0.43 117.98 126.72 1jk9 s PHE 48 Ca -0.04 1.58 0.04 0.00 -0.60 0.00 0.00 56.93 57.92 1jk9 s PHE 48 Cb -0.19 -2.90 0.67 0.00 0.51 0.00 0.00 43.02 41.11 1jk9 s PHE 48 CO -0.02 -0.35 1.82 1.49 0.70 0.00 0.00 175.22 178.86 1jk9 h GLU 49 N 1.63 0.84 -6.09 0.44 4.81 -0.87 -3.22 114.58 112.12 1jk9 h GLU 49 Ca -0.49 -0.05 -0.58 0.00 -0.13 0.00 0.00 59.36 58.11 1jk9 h GLU 49 Cb 1.19 -0.19 -0.11 0.00 0.63 0.00 0.00 28.75 30.28 1jk9 h GLU 49 CO 0.60 0.55 -0.64 -0.06 -0.73 0.00 0.00 179.01 178.74 1jk9 s PHE 50 N -5.88 2.56 -0.42 0.92 0.08 0.02 -4.71 117.98 110.54 1jk9 s PHE 50 Ca -0.11 -0.37 0.17 0.00 0.12 0.00 0.00 56.93 56.73 1jk9 s PHE 50 Cb 0.23 -1.37 -0.22 0.00 -0.57 0.00 0.00 43.02 41.09 1jk9 s PHE 50 CO 0.80 0.53 0.55 0.41 -0.10 0.00 0.00 175.22 177.42 1jk9 n GLY 51 N -0.91 -0.67 3.64 4.36 0.00 -1.11 -1.94 105.19 108.57 1jk9 n GLY 51 Ca -0.05 -0.44 -0.44 0.00 0.00 0.00 0.00 46.02 45.09 1jk9 n GLY 51 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1jk9 n ASP 52 N -1.73 3.70 -0.46 1.61 2.03 -1.26 -4.75 116.55 115.70 1jk9 n ASP 52 Ca 0.00 0.75 0.08 0.00 0.52 0.00 0.00 54.79 56.15 1jk9 n ASP 52 Cb 0.35 -1.48 0.18 0.00 -0.72 0.00 0.00 41.12 39.45 1jk9 n ASP 52 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1jk9 n ALA 53 N 8.28 2.53 0.00 -1.67 0.00 -1.26 -2.69 120.51 125.69 1jk9 n ALA 53 Ca 0.24 -2.19 0.00 0.00 0.00 0.00 0.00 53.44 51.48 1jk9 n ALA 53 Cb 0.38 -0.49 0.00 0.00 0.00 0.00 0.00 19.45 19.34 1jk9 n ALA 53 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1jk9 n THR 54 N -0.77 1.20 -2.50 0.00 -2.24 -1.26 -1.39 114.28 107.33 1jk9 n THR 54 Ca 0.16 0.32 -0.02 0.00 -2.27 0.00 0.00 64.05 62.24 1jk9 n THR 54 Cb 0.69 -1.32 0.04 0.00 -2.10 0.00 0.00 70.33 67.64 1jk9 n THR 54 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1jk9 n ASN 55 N -1.29 -0.19 0.00 3.42 5.15 -1.26 -5.03 115.26 116.05 1jk9 n ASN 55 Ca 0.00 -2.07 0.00 0.00 -0.60 0.00 0.00 54.58 51.91 1jk9 n ASN 55 Cb 0.01 0.14 0.00 0.00 -0.53 0.00 0.00 39.78 39.40 1jk9 n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1jk9 n GLY 56 N -0.54 0.85 0.19 8.20 0.00 -0.48 -3.11 105.19 110.30 1jk9 n GLY 56 Ca -0.11 -0.80 0.07 0.00 0.00 0.00 0.00 46.02 45.19 1jk9 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jk9 h VAL 58 N 0.00 0.82 0.00 0.00 2.07 -1.88 -1.73 116.25 115.53 1jk9 h VAL 58 Ca 0.32 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.83 1jk9 h VAL 58 Cb 0.63 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 1jk9 h VAL 58 CO -0.52 0.00 0.00 0.77 0.02 0.00 0.00 177.57 177.85 1jk9 h SER 59 N 0.03 0.00 1.46 0.57 4.64 -0.92 -2.71 113.55 116.61 1jk9 h SER 59 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1jk9 h SER 59 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1jk9 h SER 59 CO -0.19 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.77 1jk9 h ALA 60 N 2.11 1.00 -0.21 5.18 0.00 -1.09 -3.42 119.26 122.83 1jk9 h ALA 60 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1jk9 h ALA 60 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1jk9 h ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1jk9 n GLY 61 N 0.55 -1.95 0.19 0.00 0.00 -1.03 -0.80 105.19 102.15 1jk9 n GLY 61 Ca 0.02 -1.38 -0.01 0.00 0.00 0.00 0.00 46.02 44.65 1jk9 n GLY 61 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1jk9 n PRO 62 N -0.20 0.15 -2.05 1.61 -0.04 -1.26 -4.66 135.00 128.55 1jk9 n PRO 62 Ca 0.00 -0.11 -0.42 0.00 -0.04 0.00 0.00 63.50 62.94 1jk9 n PRO 62 Cb 0.00 -0.05 -0.03 0.00 -0.04 0.00 0.00 33.50 33.38 1jk9 n PRO 62 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1jk9 s HIS 63 N -0.74 3.09 -0.56 0.54 3.76 -1.26 -0.59 115.29 119.53 1jk9 s HIS 63 Ca 0.03 0.97 -0.31 0.00 -0.15 0.00 0.00 55.06 55.61 1jk9 s HIS 63 Cb -0.00 -3.79 -0.13 0.00 1.11 0.00 0.00 32.58 29.77 1jk9 s HIS 63 CO 0.02 -2.65 2.39 0.34 -0.85 0.00 0.00 174.74 173.99 1jk9 n PHE 64 N 2.85 1.28 -3.23 1.40 7.35 0.43 -4.54 117.46 123.01 1jk9 n PHE 64 Ca 0.08 0.25 -0.26 0.00 -0.76 0.00 0.00 57.45 56.77 1jk9 n PHE 64 Cb 0.40 -2.53 -0.06 0.00 0.35 0.00 0.00 39.48 37.64 1jk9 n PHE 64 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 1jk9 n ASN 65 N 11.96 3.21 0.21 -2.13 4.05 -1.26 -2.09 115.26 129.21 1jk9 n ASN 65 Ca 0.46 -3.37 0.17 0.00 0.45 0.00 0.00 54.58 52.29 1jk9 n ASN 65 Cb 0.28 -0.63 0.83 0.00 1.23 0.00 0.00 39.78 41.49 1jk9 n ASN 65 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 1jk9 h PRO 66 N 3.70 0.00 -0.75 1.20 0.13 -1.97 -2.47 132.00 131.84 1jk9 h PRO 66 Ca 0.15 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 65.00 1jk9 h PRO 66 Cb 0.67 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 31.63 1jk9 h PRO 66 CO 0.75 0.00 0.33 1.19 -0.23 0.00 0.00 178.00 180.04 1jk9 n PHE 67 N -3.85 2.43 -4.12 1.56 3.72 -1.26 -4.98 117.46 110.96 1jk9 n PHE 67 Ca 0.01 -1.39 -0.45 0.00 -0.05 0.00 0.00 57.45 55.57 1jk9 n PHE 67 Cb 0.29 -0.72 0.00 0.00 -0.94 0.00 0.00 39.48 38.11 1jk9 n PHE 67 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1jk9 n LYS 68 N -0.51 -0.29 -3.58 -1.08 5.02 -0.93 -4.98 118.16 111.81 1jk9 n LYS 68 Ca 0.44 0.05 -0.19 0.00 -2.02 0.00 0.00 58.31 56.59 1jk9 n LYS 68 Cb 1.41 -2.55 -0.04 0.00 -0.02 0.00 0.00 35.03 33.83 1jk9 n LYS 68 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1jk9 n LYS 69 N -5.01 1.23 -2.89 1.97 5.02 -1.26 -5.14 118.16 112.08 1jk9 n LYS 69 Ca -0.14 -2.19 -0.18 0.00 -2.02 0.00 0.00 58.31 53.77 1jk9 n LYS 69 Cb 0.57 0.63 0.02 0.00 -0.02 0.00 0.00 35.03 36.23 1jk9 n LYS 69 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1jk9 s THR 70 N -2.12 2.90 0.40 -0.18 -4.23 -1.26 -4.76 115.64 106.40 1jk9 s THR 70 Ca 0.01 -0.89 -0.26 0.00 -1.18 0.00 0.00 61.69 59.37 1jk9 s THR 70 Cb 0.00 -3.00 -0.09 0.00 1.34 0.00 0.00 72.50 70.75 1jk9 s THR 70 CO 0.01 -0.00 1.31 -2.28 -0.54 0.00 0.00 174.62 173.12 1jk9 s HIS 71 N -2.49 2.81 0.11 3.99 2.46 -0.05 -3.26 115.29 118.86 1jk9 s HIS 71 Ca 0.56 1.40 -0.05 0.00 0.47 0.00 0.00 55.06 57.44 1jk9 s HIS 71 Cb -0.10 -3.69 0.02 0.00 -0.13 0.00 0.00 32.58 28.68 1jk9 s HIS 71 CO 0.35 -2.14 0.25 0.41 -2.47 0.00 0.00 174.74 171.14 1jk9 n GLY 72 N 0.66 1.61 3.94 1.59 0.00 -1.26 -4.40 105.19 107.33 1jk9 n GLY 72 Ca 0.04 -1.07 -0.25 0.00 0.00 0.00 0.00 46.02 44.74 1jk9 n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jk9 s ALA 73 N -1.33 3.71 0.55 4.61 0.00 -1.19 -4.72 121.76 123.40 1jk9 s ALA 73 Ca 0.05 -0.87 0.25 0.00 0.00 0.00 0.00 51.96 51.38 1jk9 s ALA 73 Cb -0.01 -2.11 1.47 0.00 0.00 0.00 0.00 23.12 22.47 1jk9 s ALA 73 CO 0.03 0.05 2.07 -1.35 0.00 0.00 0.00 175.76 176.56 1jk9 h PRO 74 N 0.96 0.00 0.13 0.00 0.11 -1.90 -2.09 132.00 129.21 1jk9 h PRO 74 Ca -0.49 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 1jk9 h PRO 74 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1jk9 h PRO 74 CO 0.62 0.00 -0.06 1.79 -0.21 0.00 0.00 178.00 180.14 1jk9 h THR 75 N 0.00 1.04 -3.31 -1.15 1.35 -1.93 -3.46 112.91 105.45 1jk9 h THR 75 Ca 0.14 -1.08 -0.57 0.00 -0.55 0.00 0.00 66.41 64.35 1jk9 h THR 75 Cb 0.61 1.67 0.18 0.00 -1.73 0.00 0.00 68.15 68.87 1jk9 h THR 75 CO -0.00 0.24 -0.21 0.47 -0.25 0.00 0.00 175.52 175.77 1jk9 n ASP 76 N -4.93 -0.49 -0.01 5.36 8.00 -0.79 -4.95 116.55 118.75 1jk9 n ASP 76 Ca -0.08 0.69 -0.17 0.00 0.71 0.00 0.00 54.79 55.93 1jk9 n ASP 76 Cb 0.27 -1.27 -0.11 0.00 -0.02 0.00 0.00 41.12 39.99 1jk9 n ASP 76 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1jk9 h GLU 77 N -0.01 0.40 -6.32 -1.24 5.08 -1.90 -3.41 114.58 107.18 1jk9 h GLU 77 Ca -0.46 -0.41 -0.58 0.00 -1.00 0.00 0.00 59.36 56.91 1jk9 h GLU 77 Cb 1.36 0.11 -0.09 0.00 0.50 0.00 0.00 28.75 30.63 1jk9 h GLU 77 CO 0.46 1.07 0.79 0.08 -1.00 0.00 0.00 179.01 180.41 1jk9 s VAL 78 N -3.30 4.23 0.01 3.13 1.01 -1.26 -4.96 120.40 119.26 1jk9 s VAL 78 Ca -0.13 0.75 -0.28 0.00 0.00 0.00 0.00 61.98 62.32 1jk9 s VAL 78 Cb 0.04 -4.61 0.09 0.00 0.00 0.00 0.00 36.38 31.90 1jk9 s VAL 78 CO 0.81 -1.14 0.81 0.00 0.00 0.00 0.00 175.10 175.58 1jk9 s ARG 79 N 4.39 0.93 0.44 2.72 1.70 -1.22 -4.08 118.95 123.83 1jk9 s ARG 79 Ca 0.39 -0.23 -0.23 0.00 -0.47 0.00 0.00 55.73 55.20 1jk9 s ARG 79 Cb -0.09 0.43 -0.08 0.00 -0.57 0.00 0.00 34.95 34.63 1jk9 s ARG 79 CO 0.25 -0.38 1.07 -1.01 -1.08 0.00 0.00 175.30 174.14 1jk9 s HIS 80 N -2.81 3.11 0.03 5.89 3.76 -1.20 -4.75 115.29 119.31 1jk9 s HIS 80 Ca 0.01 1.61 0.32 0.00 -0.15 0.00 0.00 55.06 56.85 1jk9 s HIS 80 Cb -0.01 -3.15 1.45 0.00 1.11 0.00 0.00 32.58 31.98 1jk9 s HIS 80 CO -0.07 -0.85 1.96 -0.39 -0.85 0.00 0.00 174.74 174.54 1jk9 h VAL 81 N 1.94 0.00 -0.33 -0.90 -1.51 -1.82 -2.35 116.25 111.28 1jk9 h VAL 81 Ca -0.49 -0.30 0.00 0.00 -1.23 0.00 0.00 66.70 64.68 1jk9 h VAL 81 Cb 1.22 1.18 0.00 0.00 -2.13 0.00 0.00 31.29 31.56 1jk9 h VAL 81 CO 0.61 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.56 1jk9 n GLY 82 N -0.30 2.32 3.36 5.19 0.00 -0.89 -4.42 105.19 110.45 1jk9 n GLY 82 Ca 0.00 -0.53 -0.45 0.00 0.00 0.00 0.00 46.02 45.04 1jk9 n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jk9 s ASP 83 N -0.46 6.18 -0.16 1.61 1.01 -0.89 -0.83 116.67 123.13 1jk9 s ASP 83 Ca 0.31 -1.51 0.17 0.00 0.71 0.00 0.00 52.55 52.23 1jk9 s ASP 83 Cb 0.24 -2.28 0.76 0.00 1.01 0.00 0.00 42.92 42.65 1jk9 s ASP 83 CO 0.09 -1.05 1.67 0.23 0.21 0.00 0.00 175.17 176.33 1jk9 n MET 84 N 6.06 4.16 0.00 8.23 2.81 -0.82 -4.09 117.12 133.47 1jk9 n MET 84 Ca -0.11 -3.00 0.00 0.00 -1.81 0.00 0.00 57.70 52.79 1jk9 n MET 84 Cb 0.42 -2.03 0.00 0.00 -0.71 0.00 0.00 33.22 30.90 1jk9 n MET 84 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1jk9 n GLY 85 N 0.91 3.45 3.37 3.03 0.00 -1.25 -4.73 105.19 109.98 1jk9 n GLY 85 Ca 0.27 -0.15 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 1jk9 n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jk9 s ASN 86 N -4.00 3.27 -0.07 1.61 0.01 -1.26 -0.88 114.94 113.62 1jk9 s ASN 86 Ca 0.00 -0.69 0.02 0.00 -0.71 0.00 0.00 52.86 51.47 1jk9 s ASN 86 Cb 0.00 -0.24 -0.03 0.00 0.41 0.00 0.00 41.25 41.39 1jk9 s ASN 86 CO 0.00 0.21 -0.10 0.68 -1.51 0.00 0.00 177.10 176.38 1jk9 s VAL 87 N -0.97 3.46 0.35 1.60 -7.23 -0.52 -4.88 120.40 112.20 1jk9 s VAL 87 Ca 0.13 -0.57 -0.08 0.00 -1.81 0.00 0.00 61.98 59.66 1jk9 s VAL 87 Cb -0.10 -2.40 -0.06 0.00 0.56 0.00 0.00 36.38 34.38 1jk9 s VAL 87 CO 0.05 0.59 0.66 -0.54 -0.31 0.00 0.00 175.10 175.55 1jk9 s LYS 88 N -0.72 3.71 -0.03 4.82 3.01 -1.26 -1.44 119.74 127.83 1jk9 s LYS 88 Ca 0.11 0.24 0.04 0.00 -1.01 0.00 0.00 55.97 55.35 1jk9 s LYS 88 Cb -0.11 -2.52 -0.00 0.00 -1.01 0.00 0.00 37.83 34.19 1jk9 s LYS 88 CO 0.01 0.09 -0.15 0.95 0.51 0.00 0.00 175.35 176.76 1jk9 s THR 89 N -2.22 1.25 0.00 2.17 -4.23 0.42 -4.23 115.64 108.79 1jk9 s THR 89 Ca 0.48 -0.63 0.00 0.00 -1.18 0.00 0.00 61.69 60.36 1jk9 s THR 89 Cb -0.10 -1.07 0.00 0.00 1.34 0.00 0.00 72.50 72.66 1jk9 s THR 89 CO 0.30 0.36 0.00 -0.90 -0.54 0.00 0.00 174.62 173.85 1jk9 n ASP 90 N 3.07 -0.23 0.00 3.99 5.68 -0.89 -1.99 116.55 126.18 1jk9 n ASP 90 Ca -0.17 -0.12 0.13 0.00 -0.50 0.00 0.00 54.79 54.13 1jk9 n ASP 90 Cb 0.54 0.00 0.74 0.00 -1.14 0.00 0.00 41.12 41.26 1jk9 n ASP 90 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 1jk9 n GLU 91 N -0.35 0.60 -0.25 0.11 0.00 -1.26 0.12 120.64 119.62 1jk9 n GLU 91 Ca 0.00 0.02 0.07 0.00 0.00 0.00 0.00 57.16 57.25 1jk9 n GLU 91 Cb 0.00 -1.50 0.18 0.00 0.00 0.00 0.00 31.44 30.12 1jk9 n GLU 91 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1jk9 n ASN 92 N -1.15 3.10 -1.27 -1.84 3.02 -1.26 -4.77 115.26 111.09 1jk9 n ASN 92 Ca 0.16 -2.72 -0.16 0.00 -0.03 0.00 0.00 54.58 51.84 1jk9 n ASN 92 Cb 0.16 -0.39 -0.06 0.00 -0.61 0.00 0.00 39.78 38.87 1jk9 n ASN 92 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jk9 n GLY 93 N -0.54 1.44 3.53 7.41 0.00 -1.12 -4.61 105.19 111.30 1jk9 n GLY 93 Ca 0.16 -0.27 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 1jk9 n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jk9 s VAL 94 N -2.61 4.50 -0.24 1.61 1.01 -1.26 -2.03 120.40 121.39 1jk9 s VAL 94 Ca 0.00 -0.12 -0.10 0.00 0.00 0.00 0.00 61.98 61.76 1jk9 s VAL 94 Cb 0.00 -3.07 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 1jk9 s VAL 94 CO 0.00 0.39 0.14 0.00 0.00 0.00 0.00 175.10 175.63 1jk9 s ALA 95 N 1.07 3.47 -0.09 5.51 0.00 0.13 -2.09 121.76 129.76 1jk9 s ALA 95 Ca 0.04 -0.97 -0.03 0.00 0.00 0.00 0.00 51.96 51.00 1jk9 s ALA 95 Cb -0.14 -2.26 0.05 0.00 0.00 0.00 0.00 23.12 20.76 1jk9 s ALA 95 CO 0.03 -0.30 0.10 0.21 0.00 0.00 0.00 175.76 175.81 1jk9 s LYS 96 N 1.26 -0.00 0.02 0.00 2.20 -1.26 0.36 119.74 122.31 1jk9 s LYS 96 Ca 0.06 0.30 -0.10 0.00 -0.36 0.00 0.00 55.97 55.88 1jk9 s LYS 96 Cb -0.14 -0.82 0.03 0.00 -1.51 0.00 0.00 37.83 35.38 1jk9 s LYS 96 CO 0.06 -0.43 0.44 0.41 -0.36 0.00 0.00 175.35 175.46 1jk9 n GLY 97 N 5.30 0.67 3.66 5.54 0.00 -0.63 -5.01 105.19 114.72 1jk9 n GLY 97 Ca -0.04 -0.94 -0.09 0.00 0.00 0.00 0.00 46.02 44.95 1jk9 n GLY 97 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jk9 s SER 98 N -1.99 -0.08 -0.02 1.61 1.04 -1.26 -0.66 113.70 112.34 1jk9 s SER 98 Ca 0.10 -0.88 -0.30 0.00 0.48 0.00 0.00 55.95 55.34 1jk9 s SER 98 Cb -0.01 0.64 0.11 0.00 0.10 0.00 0.00 66.02 66.87 1jk9 s SER 98 CO 0.00 -1.23 1.14 0.72 0.98 0.00 0.00 173.24 174.86 1jk9 s PHE 99 N -3.87 -0.12 0.10 5.02 -0.12 -0.04 -4.99 117.98 113.96 1jk9 s PHE 99 Ca 0.20 -0.01 0.08 0.00 -0.05 0.00 0.00 56.93 57.14 1jk9 s PHE 99 Cb -0.02 0.56 -0.04 0.00 -0.63 0.00 0.00 43.02 42.89 1jk9 s PHE 99 CO 0.09 -0.41 -0.16 0.15 -0.05 0.00 0.00 175.22 174.84 1jk9 s LYS 100 N -2.70 1.92 0.02 1.99 1.02 -1.26 -0.09 119.74 120.64 1jk9 s LYS 100 Ca 0.11 -1.11 0.00 0.00 0.02 0.00 0.00 55.97 55.00 1jk9 s LYS 100 Cb 0.01 -2.18 -0.02 0.00 -0.52 0.00 0.00 37.83 35.13 1jk9 s LYS 100 CO -0.03 0.50 -0.03 0.34 -0.92 0.00 0.00 175.35 175.20 1jk9 s ASP 101 N -2.05 0.28 -0.01 2.83 2.15 -0.44 -4.96 116.67 114.46 1jk9 s ASP 101 Ca 0.18 -0.45 0.20 0.00 0.43 0.00 0.00 52.55 52.92 1jk9 s ASP 101 Cb -0.11 0.08 -0.27 0.00 -0.30 0.00 0.00 42.92 42.32 1jk9 s ASP 101 CO 0.10 -0.26 0.64 -1.20 -0.17 0.00 0.00 175.17 174.29 1jk9 n SER 102 N 1.76 0.59 0.01 -0.34 7.64 -1.26 -1.24 113.62 120.78 1jk9 n SER 102 Ca -0.22 -0.46 -0.22 0.00 1.01 0.00 0.00 58.87 58.98 1jk9 n SER 102 Cb 0.56 1.50 -0.14 0.00 -1.01 0.00 0.00 64.21 65.11 1jk9 n SER 102 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1jk9 h LEU 103 N 0.00 0.44 -9.46 -3.43 3.38 -1.96 -3.46 115.31 100.81 1jk9 h LEU 103 Ca 0.00 -0.94 -0.54 0.00 0.09 0.00 0.00 57.88 56.50 1jk9 h LEU 103 Cb 0.72 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 41.34 1jk9 h LEU 103 CO 0.00 1.83 0.72 -0.63 0.09 0.00 0.00 178.44 180.45 1jk9 s ILE 104 N -2.55 3.66 0.01 1.22 1.01 -1.26 -5.01 121.20 118.29 1jk9 s ILE 104 Ca -0.21 1.15 0.01 0.00 0.00 0.00 0.00 60.65 61.59 1jk9 s ILE 104 Cb 0.06 -3.74 -0.01 0.00 0.01 0.00 0.00 42.46 38.78 1jk9 s ILE 104 CO 0.78 0.06 -0.03 -0.54 0.00 0.00 0.00 174.94 175.20 1jk9 s LYS 105 N 1.55 0.27 0.00 2.79 1.02 -1.26 -3.90 119.74 120.21 1jk9 s LYS 105 Ca 0.62 -0.37 0.23 0.00 0.02 0.00 0.00 55.97 56.48 1jk9 s LYS 105 Cb -0.33 -0.08 0.49 0.00 -0.52 0.00 0.00 37.83 37.39 1jk9 s LYS 105 CO 0.28 0.01 1.43 1.28 -0.92 0.00 0.00 175.35 177.43 1jk9 n LEU 106 N 2.28 2.79 -4.04 3.17 4.32 -1.26 -1.10 117.00 123.16 1jk9 n LEU 106 Ca -0.18 -1.10 -0.14 0.00 -0.02 0.00 0.00 56.01 54.57 1jk9 n LEU 106 Cb 0.57 -0.13 -0.12 0.00 -1.62 0.00 0.00 43.42 42.12 1jk9 n LEU 106 CO 0.23 0.55 -0.40 -0.63 -1.22 0.00 0.00 177.39 175.92 1jk9 s ILE 107 N -1.74 0.50 0.00 -0.08 1.01 -1.26 -4.82 121.20 114.80 1jk9 s ILE 107 Ca 0.34 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 60.12 1jk9 s ILE 107 Cb 0.21 -0.54 0.00 0.00 0.01 0.00 0.00 42.46 42.14 1jk9 s ILE 107 CO 0.30 -0.26 0.00 0.61 0.00 0.00 0.00 174.94 175.59 1jk9 n GLY 108 N 1.82 -0.82 0.00 6.18 0.00 -1.26 -4.15 105.19 106.97 1jk9 n GLY 108 Ca -0.20 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.12 1jk9 n GLY 108 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1jk9 n PRO 109 N -0.88 0.00 -0.07 1.61 -0.04 -1.26 -0.17 135.00 134.20 1jk9 n PRO 109 Ca 0.00 0.23 0.03 0.00 -0.04 0.00 0.00 63.50 63.72 1jk9 n PRO 109 Cb 0.00 -1.76 0.07 0.00 -0.04 0.00 0.00 33.50 31.76 1jk9 n PRO 109 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1jk9 n THR 110 N -1.22 1.23 -1.60 0.52 -2.24 -1.26 -5.05 114.28 104.66 1jk9 n THR 110 Ca 0.00 -1.28 -0.46 0.00 -2.27 0.00 0.00 64.05 60.04 1jk9 n THR 110 Cb 0.26 0.32 -0.03 0.00 -2.10 0.00 0.00 70.33 68.79 1jk9 n THR 110 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1jk9 n SER 111 N -0.50 1.56 -1.09 3.42 2.88 0.77 -4.50 113.62 116.15 1jk9 n SER 111 Ca 0.06 1.16 0.11 0.00 -1.33 0.00 0.00 58.87 58.87 1jk9 n SER 111 Cb 0.39 -1.29 0.27 0.00 -0.75 0.00 0.00 64.21 62.83 1jk9 n SER 111 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1jk9 n VAL 112 N 0.92 0.68 -2.06 2.46 0.24 -0.26 -4.92 118.33 115.38 1jk9 n VAL 112 Ca 0.12 -0.76 -0.42 0.00 -2.04 0.00 0.00 64.34 61.24 1jk9 n VAL 112 Cb 0.29 0.57 -0.03 0.00 -1.47 0.00 0.00 33.84 33.21 1jk9 n VAL 112 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1jk9 s VAL 113 N -1.32 3.27 0.00 3.34 1.01 -1.26 -1.98 120.40 123.46 1jk9 s VAL 113 Ca 0.40 0.75 0.00 0.00 0.00 0.00 0.00 61.98 63.13 1jk9 s VAL 113 Cb 0.22 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 33.11 1jk9 s VAL 113 CO 0.29 0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.01 1jk9 n GLY 114 N 3.79 0.05 3.99 4.51 0.00 0.21 -5.00 105.19 112.74 1jk9 n GLY 114 Ca 0.14 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.97 1jk9 n GLY 114 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jk9 s ARG 115 N -0.99 2.93 0.16 1.61 0.52 -0.84 -2.74 118.95 119.60 1jk9 s ARG 115 Ca 0.00 -0.97 0.04 0.00 -0.52 0.00 0.00 55.73 54.28 1jk9 s ARG 115 Cb 0.00 -2.71 -0.04 0.00 0.52 0.00 0.00 34.95 32.72 1jk9 s ARG 115 CO 0.00 -0.21 0.21 -1.54 0.02 0.00 0.00 175.30 173.78 1jk9 s SER 116 N -4.27 5.92 -0.10 0.23 1.04 -0.82 -1.27 113.70 114.42 1jk9 s SER 116 Ca 0.50 0.02 -0.01 0.00 0.48 0.00 0.00 55.95 56.94 1jk9 s SER 116 Cb -0.10 -1.67 -0.03 0.00 0.10 0.00 0.00 66.02 64.33 1jk9 s SER 116 CO 0.34 0.06 -0.06 -0.69 0.98 0.00 0.00 173.24 173.86 1jk9 s VAL 117 N -1.75 3.70 0.07 5.02 1.01 0.19 -0.85 120.40 127.80 1jk9 s VAL 117 Ca 0.33 -0.45 0.02 0.00 0.00 0.00 0.00 61.98 61.87 1jk9 s VAL 117 Cb -0.11 -2.56 -0.03 0.00 0.00 0.00 0.00 36.38 33.69 1jk9 s VAL 117 CO 0.26 0.55 -0.08 0.68 0.00 0.00 0.00 175.10 176.52 1jk9 s VAL 118 N -0.28 0.67 -0.07 2.92 -7.23 0.03 -0.88 120.40 115.56 1jk9 s VAL 118 Ca 0.04 -1.51 0.03 0.00 -1.81 0.00 0.00 61.98 58.73 1jk9 s VAL 118 Cb -0.13 -1.16 0.01 0.00 0.56 0.00 0.00 36.38 35.66 1jk9 s VAL 118 CO 0.02 -0.60 -0.14 -0.51 -0.31 0.00 0.00 175.10 173.56 1jk9 s ILE 119 N -2.43 1.27 0.76 -0.62 2.07 -0.97 -2.03 121.20 119.24 1jk9 s ILE 119 Ca 0.01 -0.56 -0.02 0.00 -1.41 0.00 0.00 60.65 58.67 1jk9 s ILE 119 Cb -0.03 -1.14 0.14 0.00 0.13 0.00 0.00 42.46 41.57 1jk9 s ILE 119 CO -0.02 0.38 1.04 -1.00 -1.91 0.00 0.00 174.94 173.44 1jk9 s HIS 120 N 0.56 1.43 -1.15 3.50 3.76 -1.13 -3.29 115.29 118.98 1jk9 s HIS 120 Ca -0.14 -0.27 0.24 0.00 -0.15 0.00 0.00 55.06 54.73 1jk9 s HIS 120 Cb -0.16 -3.10 0.24 0.00 1.11 0.00 0.00 32.58 30.67 1jk9 s HIS 120 CO 0.04 -1.88 1.23 0.00 -0.85 0.00 0.00 174.74 173.29 1jk9 n ALA 121 N -2.96 3.93 -2.55 -1.40 0.00 0.36 -4.52 120.51 113.36 1jk9 n ALA 121 Ca 0.16 -0.46 -0.27 0.00 0.00 0.00 0.00 53.44 52.87 1jk9 n ALA 121 Cb 0.61 -0.98 -0.08 0.00 0.00 0.00 0.00 19.45 19.00 1jk9 n ALA 121 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1jk9 s GLY 122 N -2.91 2.65 0.07 0.00 0.00 -0.34 -4.98 107.32 101.81 1jk9 s GLY 122 Ca 0.12 -1.15 -0.22 0.00 0.00 0.00 0.00 44.72 43.47 1jk9 s GLY 122 CO 0.73 -1.90 0.67 1.62 0.00 0.00 0.00 173.10 174.22 1jk9 s GLN 123 N -3.75 4.38 -0.19 2.90 0.74 -1.23 -0.68 119.66 121.83 1jk9 s GLN 123 Ca 0.21 0.91 -0.29 0.00 0.05 0.00 0.00 55.36 56.24 1jk9 s GLN 123 Cb 0.03 -3.29 0.00 0.00 1.10 0.00 0.00 33.01 30.85 1jk9 s GLN 123 CO 0.13 0.49 1.06 0.34 -0.55 0.00 0.00 175.29 176.75 1jk9 s ASP 124 N -0.69 7.12 0.00 6.67 -1.08 -1.26 -4.02 116.67 123.41 1jk9 s ASP 124 Ca 0.33 1.45 0.00 0.00 -0.52 0.00 0.00 52.55 53.81 1jk9 s ASP 124 Cb -0.20 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.71 1jk9 s ASP 124 CO 0.21 -0.63 0.79 -0.90 0.52 0.00 0.00 175.17 175.17 1jk9 n ASP 125 N 6.03 0.15 -1.44 -0.34 5.68 0.11 -4.85 116.55 121.88 1jk9 n ASP 125 Ca 0.11 -1.74 -0.11 0.00 -0.50 0.00 0.00 54.79 52.56 1jk9 n ASP 125 Cb 0.46 -0.07 -0.04 0.00 -1.14 0.00 0.00 41.12 40.33 1jk9 n ASP 125 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1jk9 n LEU 126 N -0.40 -0.83 0.00 -2.12 4.77 -1.26 -1.06 117.00 116.09 1jk9 n LEU 126 Ca 0.00 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 1jk9 n LEU 126 Cb 0.04 -1.79 0.00 0.00 -2.33 0.00 0.00 43.42 39.34 1jk9 n LEU 126 CO 0.00 -0.53 0.00 0.61 -1.33 0.00 0.00 177.39 176.14 1jk9 n GLY 127 N -0.27 0.80 0.67 -0.72 0.00 -1.23 -3.18 105.19 101.26 1jk9 n GLY 127 Ca -0.11 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.93 1jk9 n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jk9 n LYS 128 N -2.11 1.81 -0.86 1.61 5.02 -0.23 -4.67 118.16 118.73 1jk9 n LYS 128 Ca 0.00 -0.79 -0.03 0.00 -2.02 0.00 0.00 58.31 55.47 1jk9 n LYS 128 Cb 0.01 -1.48 0.01 0.00 -0.02 0.00 0.00 35.03 33.55 1jk9 n LYS 128 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jk9 n GLY 129 N 0.43 0.82 0.00 0.72 0.00 -1.26 -5.08 105.19 100.83 1jk9 n GLY 129 Ca 0.07 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 44.12 1jk9 n GLY 129 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jk9 n ASP 130 N -2.99 0.00 -2.12 1.61 9.92 -1.26 -4.94 116.55 116.77 1jk9 n ASP 130 Ca 0.02 0.00 -0.19 0.00 -0.53 0.00 0.00 54.79 54.09 1jk9 n ASP 130 Cb 0.07 0.00 0.02 0.00 -0.64 0.00 0.00 41.12 40.56 1jk9 n ASP 130 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1jk9 n THR 131 N -0.51 0.00 -0.20 -3.53 -2.24 -1.26 -4.79 114.28 101.75 1jk9 n THR 131 Ca 0.00 -0.26 -0.09 0.00 -2.27 0.00 0.00 64.05 61.43 1jk9 n THR 131 Cb 0.00 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.25 1jk9 n THR 131 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1jk9 h GLU 132 N -0.41 1.02 -0.79 -0.78 4.57 -1.98 -2.63 114.58 113.57 1jk9 h GLU 132 Ca -0.23 -0.32 0.15 0.00 -1.18 0.00 0.00 59.36 57.79 1jk9 h GLU 132 Cb 0.70 -0.10 -0.15 0.00 -0.16 0.00 0.00 28.75 29.05 1jk9 h GLU 132 CO 0.14 1.00 -0.26 1.49 -1.18 0.00 0.00 179.01 180.20 1jk9 h GLU 133 N 0.91 -0.03 -0.73 1.92 4.57 -2.00 0.48 114.58 119.69 1jk9 h GLU 133 Ca 0.17 0.00 0.14 0.00 -1.18 0.00 0.00 59.36 58.49 1jk9 h GLU 133 Cb 0.53 0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 29.08 1jk9 h GLU 133 CO 0.03 -0.02 0.49 1.03 -1.18 0.00 0.00 179.01 179.35 1jk9 h SER 134 N -0.04 0.38 -0.19 1.04 0.87 -1.77 0.15 113.55 113.98 1jk9 h SER 134 Ca 0.35 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.93 1jk9 h SER 134 Cb 0.59 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.49 1jk9 h SER 134 CO -0.83 0.20 0.00 0.18 -0.53 0.00 0.00 176.83 175.85 1jk9 n LEU 135 N -4.47 1.20 0.00 2.23 4.77 0.16 -2.99 117.00 117.90 1jk9 n LEU 135 Ca 0.14 -0.57 -0.00 0.00 -0.03 0.00 0.00 56.01 55.54 1jk9 n LEU 135 Cb 0.51 -0.13 -0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1jk9 n LEU 135 CO 0.33 0.28 -0.03 1.17 -1.33 0.00 0.00 177.39 177.82 1jk9 n LYS 136 N 0.10 0.02 -0.04 3.23 4.81 0.44 -0.87 118.16 125.85 1jk9 n LYS 136 Ca 0.10 0.01 -0.00 0.00 -0.87 0.00 0.00 58.31 57.55 1jk9 n LYS 136 Cb 0.21 -0.23 -0.12 0.00 0.02 0.00 0.00 35.03 34.92 1jk9 n LYS 136 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1jk9 n THR 137 N -2.76 0.53 -0.64 3.15 -2.24 -0.71 -4.58 114.28 107.03 1jk9 n THR 137 Ca -0.01 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 1jk9 n THR 137 Cb 0.02 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 67.99 1jk9 n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jk9 n GLY 138 N 1.89 0.68 3.37 3.38 0.00 -1.16 -4.25 105.19 109.09 1jk9 n GLY 138 Ca -0.14 -0.02 -0.23 0.00 0.00 0.00 0.00 46.02 45.62 1jk9 n GLY 138 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1jk9 n ASN 139 N 0.04 -6.31 -0.10 1.61 3.02 -1.26 0.03 115.26 112.30 1jk9 n ASN 139 Ca 0.00 -0.44 0.10 0.00 -0.03 0.00 0.00 54.58 54.21 1jk9 n ASN 139 Cb 0.00 -5.01 0.55 0.00 -0.61 0.00 0.00 39.78 34.71 1jk9 n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jk9 n ALA 140 N -4.44 2.60 -0.95 5.41 0.00 -1.26 -4.59 120.51 117.28 1jk9 n ALA 140 Ca -0.04 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1jk9 n ALA 140 Cb 0.58 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.76 1jk9 n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jk9 n GLY 141 N 0.87 0.90 3.29 0.00 0.00 -1.26 -1.20 105.19 107.78 1jk9 n GLY 141 Ca 0.15 -0.74 -0.34 0.00 0.00 0.00 0.00 46.02 45.10 1jk9 n GLY 141 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1jk9 n PRO 142 N 0.00 -0.43 -3.75 1.61 -0.02 -1.26 -4.65 135.00 126.51 1jk9 n PRO 142 Ca 0.00 -0.10 -0.30 0.00 -2.02 0.00 0.00 63.50 61.09 1jk9 n PRO 142 Cb 0.00 -1.62 -0.14 0.00 -0.02 0.00 0.00 33.50 31.72 1jk9 n PRO 142 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1jk9 s ARG 143 N -3.20 1.20 0.40 -0.52 3.03 -1.26 -0.49 118.95 118.11 1jk9 s ARG 143 Ca 0.52 -1.80 0.23 0.00 2.03 0.00 0.00 55.73 56.71 1jk9 s ARG 143 Cb -0.18 -2.37 1.27 0.00 -1.03 0.00 0.00 34.95 32.65 1jk9 s ARG 143 CO 0.70 -1.10 1.68 -1.00 -1.13 0.00 0.00 175.30 174.46 1jk9 h PRO 144 N 7.11 0.00 -1.58 3.89 0.13 -1.83 -3.44 132.00 136.27 1jk9 h PRO 144 Ca -0.05 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 65.15 1jk9 h PRO 144 Cb 0.95 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 31.83 1jk9 h PRO 144 CO 0.49 0.00 0.49 0.00 -0.23 0.00 0.00 178.00 178.75 1jk9 s ALA 145 N -3.62 -1.96 0.07 -0.56 0.00 -1.25 -4.06 121.76 110.37 1jk9 s ALA 145 Ca -0.03 1.75 -0.00 0.00 0.00 0.00 0.00 51.96 53.69 1jk9 s ALA 145 Cb 0.07 -1.14 0.00 0.00 0.00 0.00 0.00 23.12 22.04 1jk9 s ALA 145 CO 0.21 -0.26 0.09 0.00 0.00 0.00 0.00 175.76 175.80 1jk9 s GLY 147 N -1.41 -0.19 -0.06 0.00 0.00 -0.06 -1.49 107.32 104.09 1jk9 s GLY 147 Ca 0.06 1.93 -0.14 0.00 0.00 0.00 0.00 44.72 46.56 1jk9 s GLY 147 CO 0.04 0.66 0.36 0.14 0.00 0.00 0.00 173.10 174.30 1jk9 s VAL 148 N -2.03 5.16 -0.26 1.40 1.01 -1.26 0.56 120.40 124.98 1jk9 s VAL 148 Ca 0.11 0.72 -0.29 0.00 0.00 0.00 0.00 61.98 62.52 1jk9 s VAL 148 Cb -0.01 -3.67 0.01 0.00 0.00 0.00 0.00 36.38 32.70 1jk9 s VAL 148 CO -0.03 0.51 1.15 -0.63 0.00 0.00 0.00 175.10 176.10 1jk9 s ILE 149 N -0.53 4.43 0.13 2.22 1.01 -0.40 -4.27 121.20 123.79 1jk9 s ILE 149 Ca 0.21 1.68 0.09 0.00 0.00 0.00 0.00 60.65 62.63 1jk9 s ILE 149 Cb -0.15 -4.25 -0.04 0.00 0.01 0.00 0.00 42.46 38.03 1jk9 s ILE 149 CO 0.10 -0.34 -0.22 -0.83 0.00 0.00 0.00 174.94 173.65 1jk9 s GLY 150 N 1.85 1.41 0.51 6.18 0.00 0.18 -0.62 107.32 116.83 1jk9 s GLY 150 Ca 0.49 -1.39 -0.22 0.00 0.00 0.00 0.00 44.72 43.60 1jk9 s GLY 150 CO 0.15 -1.40 1.30 1.08 0.00 0.00 0.00 173.10 174.23 1jk9 s LEU 151 N -2.15 3.93 0.00 0.66 2.01 -1.26 -0.56 118.68 121.30 1jk9 s LEU 151 Ca 0.12 2.64 -0.03 0.00 0.01 0.00 0.00 54.13 56.87 1jk9 s LEU 151 Cb -0.09 -4.23 0.01 0.00 0.01 0.00 0.00 46.19 41.89 1jk9 s LEU 151 CO 0.06 -1.33 0.14 1.07 1.01 0.00 0.00 176.35 177.29 1jk9 n THR 152 N -0.77 0.00 0.00 5.49 5.66 -0.63 -4.82 114.28 119.21 1jk9 n THR 152 Ca 0.09 -0.15 0.00 0.00 -3.05 0.00 0.00 64.05 60.94 1jk9 n THR 152 Cb 0.46 0.15 0.00 0.00 -1.55 0.00 0.00 70.33 69.39 1jk9 n THR 152 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82