#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 1.25 0.19 5.55 -0.21 -1.26 -1.35 119.66 123.82 1jk9 s GLN 2 Ca 0.00 -1.52 -0.16 0.00 0.02 0.00 0.00 55.36 53.70 1jk9 s GLN 2 Cb 0.00 -1.03 0.02 0.00 1.00 0.00 0.00 33.01 33.00 1jk9 s GLN 2 CO 0.00 0.17 0.47 0.00 -2.12 0.00 0.00 175.29 173.81 1jk9 s ALA 3 N -2.90 -0.73 -0.05 6.09 0.00 -0.71 -2.53 121.76 120.94 1jk9 s ALA 3 Ca 0.20 -0.37 -0.15 0.00 0.00 0.00 0.00 51.96 51.64 1jk9 s ALA 3 Cb -0.01 0.85 0.03 0.00 0.00 0.00 0.00 23.12 23.99 1jk9 s ALA 3 CO 0.05 -0.77 0.34 0.54 0.00 0.00 0.00 175.76 175.93 1jk9 s VAL 4 N -3.89 0.04 -0.10 0.00 0.11 -0.35 -1.18 120.40 115.02 1jk9 s VAL 4 Ca 0.11 -0.30 0.01 0.00 -2.93 0.00 0.00 61.98 58.87 1jk9 s VAL 4 Cb -0.00 -0.60 0.02 0.00 -1.53 0.00 0.00 36.38 34.27 1jk9 s VAL 4 CO -0.02 -0.17 -0.12 0.00 -3.33 0.00 0.00 175.10 171.46 1jk9 s ALA 5 N -0.84 1.43 -0.44 1.54 0.00 0.91 -1.34 121.76 123.04 1jk9 s ALA 5 Ca -0.09 -0.57 -0.14 0.00 0.00 0.00 0.00 51.96 51.16 1jk9 s ALA 5 Cb -0.04 -0.78 0.05 0.00 0.00 0.00 0.00 23.12 22.36 1jk9 s ALA 5 CO 0.03 -0.14 0.32 0.08 0.00 0.00 0.00 175.76 176.06 1jk9 s VAL 6 N 1.13 4.99 -0.02 0.00 1.01 -1.26 -0.69 120.40 125.56 1jk9 s VAL 6 Ca -0.05 -0.99 -0.30 0.00 0.00 0.00 0.00 61.98 60.64 1jk9 s VAL 6 Cb -0.14 -3.91 -0.03 0.00 0.00 0.00 0.00 36.38 32.29 1jk9 s VAL 6 CO -0.02 -0.46 1.01 -0.76 0.00 0.00 0.00 175.10 174.86 1jk9 s LEU 7 N 1.60 4.35 0.27 3.92 1.02 0.13 -4.30 118.68 125.66 1jk9 s LEU 7 Ca 0.04 1.66 0.02 0.00 0.02 0.00 0.00 54.13 55.87 1jk9 s LEU 7 Cb -0.22 -3.57 -0.05 0.00 0.02 0.00 0.00 46.19 42.37 1jk9 s LEU 7 CO 0.07 -0.32 0.11 -0.54 0.02 0.00 0.00 176.35 175.69 1jk9 s LYS 8 N 1.23 1.47 0.00 1.70 -0.14 0.04 -2.63 119.74 121.41 1jk9 s LYS 8 Ca 0.52 -1.81 0.00 0.00 -1.36 0.00 0.00 55.97 53.32 1jk9 s LYS 8 Cb -0.21 -0.24 0.00 0.00 -1.68 0.00 0.00 37.83 35.70 1jk9 s LYS 8 CO 0.26 -0.34 0.00 0.41 -0.76 0.00 0.00 175.35 174.93 1jk9 n GLY 9 N -0.51 -0.25 1.73 -3.33 0.00 -1.26 -1.16 105.19 100.42 1jk9 n GLY 9 Ca 0.00 -1.07 -0.16 0.00 0.00 0.00 0.00 46.02 44.79 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 3.44 -0.11 1.61 5.75 -1.25 -4.52 116.55 121.46 1jk9 n ASP 10 Ca 0.00 -3.72 0.07 0.00 -0.01 0.00 0.00 54.79 51.13 1jk9 n ASP 10 Cb 0.00 -0.74 0.10 0.00 -1.03 0.00 0.00 41.12 39.46 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 -1.11 2.22 0.00 2.12 0.00 -1.26 -4.99 120.51 117.48 1jk9 n ALA 11 Ca 0.47 -2.04 0.00 0.00 0.00 0.00 0.00 53.44 51.87 1jk9 n ALA 11 Cb 1.28 -0.28 0.00 0.00 0.00 0.00 0.00 19.45 20.45 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 -1.03 2.65 3.78 0.00 0.00 -1.26 -4.99 105.19 104.35 1jk9 n GLY 12 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.77 4.28 0.25 1.61 0.11 -1.26 -4.45 120.40 120.17 1jk9 s VAL 13 Ca 0.00 1.74 -0.20 0.00 -2.93 0.00 0.00 61.98 60.59 1jk9 s VAL 13 Cb 0.00 -4.02 0.02 0.00 -1.53 0.00 0.00 36.38 30.86 1jk9 s VAL 13 CO 0.00 0.21 0.65 -0.94 -3.33 0.00 0.00 175.10 171.69 1jk9 s SER 14 N -1.55 -0.28 0.00 3.54 1.04 -0.90 -4.30 113.70 111.24 1jk9 s SER 14 Ca 0.47 -0.55 0.00 0.00 0.48 0.00 0.00 55.95 56.35 1jk9 s SER 14 Cb -0.19 0.68 0.00 0.00 0.10 0.00 0.00 66.02 66.60 1jk9 s SER 14 CO 0.24 -1.24 0.00 0.61 0.98 0.00 0.00 173.24 173.84 1jk9 n GLY 15 N -0.42 1.15 3.21 7.32 0.00 -1.08 -0.33 105.19 115.04 1jk9 n GLY 15 Ca -0.06 -1.24 -0.27 0.00 0.00 0.00 0.00 46.02 44.44 1jk9 n GLY 15 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jk9 s VAL 16 N -1.96 1.63 -0.04 1.61 -7.23 -0.81 0.17 120.40 113.76 1jk9 s VAL 16 Ca 0.00 -0.86 0.04 0.00 -1.81 0.00 0.00 61.98 59.34 1jk9 s VAL 16 Cb 0.00 -1.36 -0.03 0.00 0.56 0.00 0.00 36.38 35.55 1jk9 s VAL 16 CO 0.00 0.46 -0.14 -0.69 -0.31 0.00 0.00 175.10 174.42 1jk9 s VAL 17 N -0.35 3.07 0.14 1.32 1.01 0.13 -2.57 120.40 123.15 1jk9 s VAL 17 Ca 0.05 -0.77 0.08 0.00 0.00 0.00 0.00 61.98 61.34 1jk9 s VAL 17 Cb -0.09 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 1jk9 s VAL 17 CO 0.00 0.56 -0.18 -0.54 0.00 0.00 0.00 175.10 174.94 1jk9 s LYS 18 N -0.83 1.18 0.03 2.72 1.02 0.17 -0.06 119.74 123.96 1jk9 s LYS 18 Ca 0.12 -1.29 0.04 0.00 0.02 0.00 0.00 55.97 54.85 1jk9 s LYS 18 Cb -0.11 -1.27 -0.02 0.00 -0.52 0.00 0.00 37.83 35.91 1jk9 s LYS 18 CO 0.01 0.27 -0.11 -0.06 -0.92 0.00 0.00 175.35 174.55 1jk9 s PHE 19 N -1.76 0.94 -0.07 3.18 0.40 -0.33 -1.78 117.98 118.57 1jk9 s PHE 19 Ca 0.11 -0.33 -0.03 0.00 -0.60 0.00 0.00 56.93 56.08 1jk9 s PHE 19 Cb -0.07 -0.57 0.04 0.00 0.51 0.00 0.00 43.02 42.93 1jk9 s PHE 19 CO 0.05 -0.00 0.15 -1.21 0.70 0.00 0.00 175.22 174.90 1jk9 s GLU 20 N -1.02 0.09 -0.13 0.44 2.02 -1.16 -1.73 118.70 117.22 1jk9 s GLU 20 Ca -0.01 0.37 -0.05 0.00 0.02 0.00 0.00 54.97 55.30 1jk9 s GLU 20 Cb -0.07 -0.18 0.06 0.00 0.10 0.00 0.00 34.13 34.04 1jk9 s GLU 20 CO 0.01 -0.17 0.28 -1.14 0.02 0.00 0.00 175.26 174.26 1jk9 s GLN 21 N 1.18 0.19 0.06 1.61 0.74 -0.46 0.65 119.66 123.63 1jk9 s GLN 21 Ca -0.09 0.72 -0.06 0.00 0.05 0.00 0.00 55.36 55.98 1jk9 s GLN 21 Cb -0.12 -0.03 -0.30 0.00 1.10 0.00 0.00 33.01 33.67 1jk9 s GLN 21 CO -0.06 -0.24 1.10 0.00 -0.55 0.00 0.00 175.29 175.53 1jk9 h ALA 22 N 7.93 0.07 -2.44 1.58 0.00 -1.83 -1.36 119.26 123.21 1jk9 h ALA 22 Ca -0.22 -0.90 -0.10 0.00 0.00 0.00 0.00 54.91 53.69 1jk9 h ALA 22 Cb 1.13 0.06 -0.22 0.00 0.00 0.00 0.00 17.79 18.76 1jk9 h ALA 22 CO 0.20 0.94 -0.12 -1.12 0.00 0.00 0.00 179.25 179.16 1jk9 s SER 23 N -7.20 -0.45 0.35 0.00 0.01 -1.26 -4.69 113.70 100.45 1jk9 s SER 23 Ca -0.05 0.71 0.19 0.00 1.31 0.00 0.00 55.95 58.11 1jk9 s SER 23 Cb 0.07 0.74 1.27 0.00 0.21 0.00 0.00 66.02 68.31 1jk9 s SER 23 CO 0.89 -0.32 1.53 1.21 0.41 0.00 0.00 173.24 176.96 1jk9 n GLU 24 N 2.08 -0.06 -0.10 12.44 2.13 -1.26 0.21 120.64 136.08 1jk9 n GLU 24 Ca -0.16 1.34 -0.13 0.00 0.66 0.00 0.00 57.16 58.86 1jk9 n GLU 24 Cb 0.56 -2.39 -0.03 0.00 0.27 0.00 0.00 31.44 29.85 1jk9 n GLU 24 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1jk9 h SER 25 N 0.00 0.87 -4.24 4.31 4.64 -1.96 -3.46 113.55 113.71 1jk9 h SER 25 Ca 0.81 -0.47 -0.48 0.00 -0.47 0.00 0.00 61.79 61.17 1jk9 h SER 25 Cb 2.12 -0.25 0.12 0.00 -0.31 0.00 0.00 62.40 64.08 1jk9 h SER 25 CO -0.76 1.16 0.31 -1.61 -0.87 0.00 0.00 176.83 175.07 1jk9 s GLU 26 N -4.37 1.80 0.54 4.77 2.02 0.13 -5.03 118.70 118.57 1jk9 s GLU 26 Ca -0.12 0.63 -0.17 0.00 0.02 0.00 0.00 54.97 55.33 1jk9 s GLU 26 Cb 0.10 -1.89 -0.06 0.00 0.10 0.00 0.00 34.13 32.38 1jk9 s GLU 26 CO 0.85 -1.81 1.03 -1.25 0.02 0.00 0.00 175.26 174.11 1jk9 s PRO 27 N -5.13 3.60 -0.07 0.39 0.04 -1.26 -4.76 135.00 127.81 1jk9 s PRO 27 Ca 0.62 1.20 -0.11 0.00 0.04 0.00 0.00 61.00 62.74 1jk9 s PRO 27 Cb -0.15 -2.07 -0.05 0.00 0.04 0.00 0.00 34.50 32.27 1jk9 s PRO 27 CO 0.55 -0.58 0.28 0.99 0.04 0.00 0.00 177.00 178.28 1jk9 s THR 28 N -2.35 5.27 -0.69 1.26 2.01 -0.55 -4.60 115.64 115.99 1jk9 s THR 28 Ca 0.64 0.53 -0.14 0.00 0.31 0.00 0.00 61.69 63.03 1jk9 s THR 28 Cb -0.15 -3.57 0.18 0.00 0.01 0.00 0.00 72.50 68.97 1jk9 s THR 28 CO 0.30 0.57 0.63 -0.89 -0.69 0.00 0.00 174.62 174.54 1jk9 s THR 29 N -0.86 5.32 0.19 -0.82 2.01 0.21 -1.87 115.64 119.83 1jk9 s THR 29 Ca 0.19 -2.05 -0.29 0.00 0.31 0.00 0.00 61.69 59.85 1jk9 s THR 29 Cb -0.14 -4.35 -0.08 0.00 0.01 0.00 0.00 72.50 67.94 1jk9 s THR 29 CO 0.08 -0.95 0.91 -0.69 -0.69 0.00 0.00 174.62 173.29 1jk9 s VAL 30 N 0.81 4.23 0.00 3.82 1.01 -0.19 -2.97 120.40 127.11 1jk9 s VAL 30 Ca 0.11 2.01 -0.02 0.00 0.00 0.00 0.00 61.98 64.08 1jk9 s VAL 30 Cb -0.19 -4.29 -0.01 0.00 0.00 0.00 0.00 36.38 31.89 1jk9 s VAL 30 CO -0.03 0.46 0.04 -0.94 0.00 0.00 0.00 175.10 174.62 1jk9 s SER 31 N -0.88 0.08 0.15 3.32 1.04 -0.73 -0.17 113.70 116.50 1jk9 s SER 31 Ca 0.41 -0.20 -0.13 0.00 0.48 0.00 0.00 55.95 56.52 1jk9 s SER 31 Cb -0.25 0.12 0.01 0.00 0.10 0.00 0.00 66.02 66.01 1jk9 s SER 31 CO 0.30 -0.20 0.36 -0.72 0.98 0.00 0.00 173.24 173.96 1jk9 s TYR 32 N -0.84 0.10 -0.25 5.02 -0.85 0.26 -0.66 117.35 120.13 1jk9 s TYR 32 Ca -0.09 -0.46 -0.02 0.00 -0.52 0.00 0.00 57.07 55.98 1jk9 s TYR 32 Cb -0.06 0.13 0.14 0.00 0.38 0.00 0.00 41.96 42.56 1jk9 s TYR 32 CO -0.00 -0.74 0.40 -2.00 -1.52 0.00 0.00 175.55 171.69 1jk9 s GLU 33 N -3.89 0.37 -0.11 -3.49 2.12 -1.06 -1.18 118.70 111.46 1jk9 s GLU 33 Ca 0.10 0.53 0.00 0.00 0.36 0.00 0.00 54.97 55.96 1jk9 s GLU 33 Cb 0.02 -0.38 0.02 0.00 0.26 0.00 0.00 34.13 34.06 1jk9 s GLU 33 CO -0.05 -0.68 -0.09 0.42 -0.54 0.00 0.00 175.26 174.31 1jk9 s ILE 34 N 2.57 1.11 0.51 -3.70 1.01 0.17 -1.92 121.20 120.95 1jk9 s ILE 34 Ca 0.13 -0.37 0.07 0.00 0.00 0.00 0.00 60.65 60.48 1jk9 s ILE 34 Cb -0.15 -1.09 0.02 0.00 0.01 0.00 0.00 42.46 41.25 1jk9 s ILE 34 CO -0.18 0.37 0.44 0.00 0.00 0.00 0.00 174.94 175.58 1jk9 s ALA 35 N 1.46 4.33 -0.56 9.38 0.00 0.55 0.10 121.76 137.01 1jk9 s ALA 35 Ca 0.01 -1.60 0.00 0.00 0.00 0.00 0.00 51.96 50.37 1jk9 s ALA 35 Cb -0.13 -0.89 0.00 0.00 0.00 0.00 0.00 23.12 22.09 1jk9 s ALA 35 CO -0.06 -0.43 0.00 0.41 0.00 0.00 0.00 175.76 175.68 1jk9 n GLY 36 N -1.74 0.78 3.98 0.00 0.00 -1.20 -2.12 105.19 104.88 1jk9 n GLY 36 Ca 0.02 -0.65 -0.22 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.79 4.91 0.43 1.61 0.01 0.09 -4.00 114.94 115.19 1jk9 s ASN 37 Ca 0.00 -0.12 -0.26 0.00 -0.71 0.00 0.00 52.86 51.78 1jk9 s ASN 37 Cb 0.00 -0.57 -0.08 0.00 0.41 0.00 0.00 41.25 41.01 1jk9 s ASN 37 CO 0.00 -1.44 1.36 -0.44 -1.51 0.00 0.00 177.10 175.07 1jk9 s SER 38 N -4.55 6.10 0.37 -1.22 0.01 -1.26 -4.12 113.70 109.03 1jk9 s SER 38 Ca 0.61 2.77 -0.26 0.00 1.31 0.00 0.00 55.95 60.38 1jk9 s SER 38 Cb -0.09 -2.64 -0.09 0.00 0.21 0.00 0.00 66.02 63.41 1jk9 s SER 38 CO 0.41 -1.01 1.14 -2.16 0.41 0.00 0.00 173.24 172.03 1jk9 s PRO 39 N -2.35 4.22 -1.24 12.44 0.04 -1.26 -3.86 135.00 142.99 1jk9 s PRO 39 Ca 0.59 1.80 -0.17 0.00 0.04 0.00 0.00 61.00 63.26 1jk9 s PRO 39 Cb -0.41 -2.79 0.00 0.00 0.04 0.00 0.00 34.50 31.35 1jk9 s PRO 39 CO 0.52 -0.17 0.65 0.09 0.04 0.00 0.00 177.00 178.13 1jk9 n ASN 40 N 0.33 -3.55 -4.17 6.66 3.02 0.15 -4.91 115.26 112.80 1jk9 n ASN 40 Ca 0.03 -1.07 -0.13 0.00 -0.03 0.00 0.00 54.58 53.37 1jk9 n ASN 40 Cb 0.46 -2.93 -0.10 0.00 -0.61 0.00 0.00 39.78 36.61 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 -3.64 1.29 -0.18 5.41 0.00 -1.23 -4.94 121.76 118.48 1jk9 s ALA 41 Ca 0.34 -1.74 -0.02 0.00 0.00 0.00 0.00 51.96 50.54 1jk9 s ALA 41 Cb -0.14 1.35 -0.01 0.00 0.00 0.00 0.00 23.12 24.32 1jk9 s ALA 41 CO 0.89 -0.58 -0.10 -1.21 0.00 0.00 0.00 175.76 174.77 1jk9 s GLU 42 N -4.10 3.33 -0.04 0.00 2.02 -1.26 -1.31 118.70 117.35 1jk9 s GLU 42 Ca 0.39 -0.68 0.07 0.00 0.02 0.00 0.00 54.97 54.77 1jk9 s GLU 42 Cb 0.07 -2.79 -0.02 0.00 0.10 0.00 0.00 34.13 31.49 1jk9 s GLU 42 CO 0.13 -0.02 -0.24 1.03 0.02 0.00 0.00 175.26 176.18 1jk9 s ARG 43 N 0.96 2.32 0.50 1.61 1.81 -0.94 -3.55 118.95 121.65 1jk9 s ARG 43 Ca -0.02 -0.89 -0.23 0.00 -1.72 0.00 0.00 55.73 52.87 1jk9 s ARG 43 Cb -0.15 -2.13 -0.07 0.00 -0.45 0.00 0.00 34.95 32.16 1jk9 s ARG 43 CO -0.01 0.51 1.34 0.41 -0.68 0.00 0.00 175.30 176.87 1jk9 n GLY 44 N 2.60 0.75 2.70 -3.53 0.00 -0.57 -0.95 105.19 106.18 1jk9 n GLY 44 Ca -0.17 0.09 -0.26 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.25 0.70 0.09 1.61 5.36 0.57 -0.26 117.98 124.80 1jk9 s PHE 45 Ca 0.67 -0.59 0.01 0.00 -0.96 0.00 0.00 56.93 56.05 1jk9 s PHE 45 Cb -0.44 -0.88 -0.04 0.00 -0.34 0.00 0.00 43.02 41.31 1jk9 s PHE 45 CO 0.53 -0.54 -0.04 -1.01 -1.46 0.00 0.00 175.22 172.70 1jk9 s HIS 46 N 1.97 0.80 -0.21 10.12 3.76 -0.55 -1.67 115.29 129.50 1jk9 s HIS 46 Ca 0.01 -1.00 -0.03 0.00 -0.15 0.00 0.00 55.06 53.89 1jk9 s HIS 46 Cb -0.16 -0.49 -0.00 0.00 1.11 0.00 0.00 32.58 33.04 1jk9 s HIS 46 CO -0.08 -0.26 -0.07 0.42 -0.85 0.00 0.00 174.74 173.90 1jk9 s ILE 47 N -3.76 3.17 0.39 0.60 1.01 0.40 -0.60 121.20 122.41 1jk9 s ILE 47 Ca 0.12 -0.56 -0.05 0.00 0.00 0.00 0.00 60.65 60.16 1jk9 s ILE 47 Cb 0.06 -2.43 -0.04 0.00 0.01 0.00 0.00 42.46 40.06 1jk9 s ILE 47 CO -0.05 0.44 0.68 -0.36 0.00 0.00 0.00 174.94 175.65 1jk9 s PHE 48 N 1.40 3.51 0.30 3.97 0.40 0.66 -0.95 117.98 127.27 1jk9 s PHE 48 Ca 0.05 0.72 0.01 0.00 -0.60 0.00 0.00 56.93 57.11 1jk9 s PHE 48 Cb -0.14 -2.19 0.53 0.00 0.51 0.00 0.00 43.02 41.73 1jk9 s PHE 48 CO -0.04 -0.05 1.90 1.49 0.70 0.00 0.00 175.22 179.21 1jk9 h GLU 49 N 0.89 1.00 -6.32 0.44 4.81 -1.04 -3.14 114.58 111.21 1jk9 h GLU 49 Ca -0.48 -0.06 -0.61 0.00 -0.13 0.00 0.00 59.36 58.08 1jk9 h GLU 49 Cb 1.20 -0.23 -0.17 0.00 0.63 0.00 0.00 28.75 30.19 1jk9 h GLU 49 CO 0.63 0.66 -0.79 -0.06 -0.73 0.00 0.00 179.01 178.72 1jk9 s PHE 50 N -5.92 2.21 -2.03 0.92 0.08 0.40 -4.77 117.98 108.86 1jk9 s PHE 50 Ca -0.12 -0.37 0.24 0.00 0.12 0.00 0.00 56.93 56.80 1jk9 s PHE 50 Cb 0.20 -1.04 0.28 0.00 -0.57 0.00 0.00 43.02 41.90 1jk9 s PHE 50 CO 0.80 0.56 1.27 0.41 -0.10 0.00 0.00 175.22 178.16 1jk9 n GLY 51 N -0.10 -0.10 3.63 4.36 0.00 -1.15 -3.33 105.19 108.49 1jk9 n GLY 51 Ca -0.09 -0.57 -0.43 0.00 0.00 0.00 0.00 46.02 44.93 1jk9 n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1jk9 s ASP 52 N -2.44 5.98 -0.08 1.61 -1.08 -1.26 -4.81 116.67 114.59 1jk9 s ASP 52 Ca 0.22 2.18 0.12 0.00 -0.52 0.00 0.00 52.55 54.55 1jk9 s ASP 52 Cb 0.19 -2.52 0.26 0.00 -1.46 0.00 0.00 42.92 39.38 1jk9 s ASP 52 CO 0.53 -1.50 1.18 0.00 0.52 0.00 0.00 175.17 175.90 1jk9 n ALA 53 N 9.56 2.32 0.25 3.66 0.00 -1.26 -2.54 120.51 132.50 1jk9 n ALA 53 Ca 0.24 -1.89 0.16 0.00 0.00 0.00 0.00 53.44 51.95 1jk9 n ALA 53 Cb 0.43 -0.35 0.86 0.00 0.00 0.00 0.00 19.45 20.40 1jk9 n ALA 53 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1jk9 h THR 54 N 0.66 0.51 -0.64 0.00 1.35 -1.94 -1.50 112.91 111.35 1jk9 h THR 54 Ca 0.00 0.00 -0.37 0.00 -0.55 0.00 0.00 66.41 65.49 1jk9 h THR 54 Cb 0.91 0.91 -0.41 0.00 -1.73 0.00 0.00 68.15 67.83 1jk9 h THR 54 CO 0.04 0.00 -1.00 -3.20 -0.25 0.00 0.00 175.52 171.11 1jk9 n ASN 55 N -3.85 2.89 0.00 5.36 5.15 -1.26 -5.05 115.26 118.49 1jk9 n ASN 55 Ca -0.01 -2.76 0.00 0.00 -0.60 0.00 0.00 54.58 51.21 1jk9 n ASN 55 Cb 0.21 -0.43 0.00 0.00 -0.53 0.00 0.00 39.78 39.03 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 -0.59 2.94 0.26 8.20 0.00 -0.57 -2.97 105.19 112.47 1jk9 n GLY 56 Ca 0.22 -0.26 -0.02 0.00 0.00 0.00 0.00 46.02 45.96 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 0.72 0.83 0.00 0.00 2.07 -1.88 -1.49 116.25 116.50 1jk9 h VAL 58 Ca 0.30 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.76 1jk9 h VAL 58 Cb 0.16 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1jk9 h VAL 58 CO -0.17 0.03 0.00 0.77 0.02 0.00 0.00 177.57 178.22 1jk9 h SER 59 N 0.17 0.00 1.12 0.57 4.64 -1.54 -2.63 113.55 115.88 1jk9 h SER 59 Ca 0.15 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.44 1jk9 h SER 59 Cb 0.17 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 1jk9 h SER 59 CO -0.21 0.00 -0.17 0.00 -0.87 0.00 0.00 176.83 175.58 1jk9 h ALA 60 N 2.24 0.98 -0.14 5.18 0.00 -0.98 -3.41 119.26 123.14 1jk9 h ALA 60 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1jk9 h ALA 60 Cb 0.47 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1jk9 h ALA 60 CO 0.00 0.21 0.00 0.41 0.00 0.00 0.00 179.25 179.87 1jk9 n GLY 61 N 0.32 -1.94 1.28 0.00 0.00 -0.99 -0.46 105.19 103.40 1jk9 n GLY 61 Ca 0.01 -1.38 -0.10 0.00 0.00 0.00 0.00 46.02 44.55 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 -0.13 -0.42 -1.94 1.61 -0.04 -1.26 -4.64 135.00 128.17 1jk9 n PRO 62 Ca 0.00 -0.68 -0.39 0.00 -0.04 0.00 0.00 63.50 62.38 1jk9 n PRO 62 Cb 0.00 -0.45 0.01 0.00 -0.04 0.00 0.00 33.50 33.02 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 -1.95 2.64 0.03 0.54 3.76 -1.26 -1.05 115.29 118.00 1jk9 s HIS 63 Ca 0.25 1.35 -0.30 0.00 -0.15 0.00 0.00 55.06 56.21 1jk9 s HIS 63 Cb -0.01 -3.77 -0.09 0.00 1.11 0.00 0.00 32.58 29.83 1jk9 s HIS 63 CO 0.17 -2.46 1.94 0.12 -0.85 0.00 0.00 174.74 173.66 1jk9 s PHE 64 N -1.25 1.36 -0.41 1.40 5.36 -0.12 -4.47 117.98 119.85 1jk9 s PHE 64 Ca 0.60 -0.40 0.07 0.00 -0.96 0.00 0.00 56.93 56.24 1jk9 s PHE 64 Cb -0.40 -4.22 0.24 0.00 -0.34 0.00 0.00 43.02 38.30 1jk9 s PHE 64 CO 0.51 -5.41 0.57 -1.71 -1.46 0.00 0.00 175.22 167.72 1jk9 n ASN 65 N 7.47 -0.46 0.17 6.13 4.05 -1.26 -1.82 115.26 129.54 1jk9 n ASN 65 Ca 0.20 -2.77 0.13 0.00 0.45 0.00 0.00 54.58 52.58 1jk9 n ASN 65 Cb 0.41 -0.18 0.60 0.00 1.23 0.00 0.00 39.78 41.84 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 4.15 0.00 -0.40 1.20 0.13 -1.97 -2.59 132.00 132.52 1jk9 h PRO 66 Ca 0.05 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.07 1jk9 h PRO 66 Cb 0.91 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.98 1jk9 h PRO 66 CO 0.42 0.00 0.05 1.19 -0.23 0.00 0.00 178.00 179.43 1jk9 n PHE 67 N -2.36 1.34 -4.05 1.56 3.72 -1.26 -5.00 117.46 111.42 1jk9 n PHE 67 Ca 0.00 -1.17 -0.35 0.00 -0.05 0.00 0.00 57.45 55.89 1jk9 n PHE 67 Cb 0.13 -0.46 -0.03 0.00 -0.94 0.00 0.00 39.48 38.19 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 -0.62 -0.59 -4.12 -1.08 5.02 -0.98 -4.97 118.16 110.81 1jk9 n LYS 68 Ca 0.30 0.01 -0.28 0.00 -2.02 0.00 0.00 58.31 56.32 1jk9 n LYS 68 Cb 1.05 -2.43 -0.03 0.00 -0.02 0.00 0.00 35.03 33.60 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 -4.32 0.79 -2.50 1.97 5.02 -1.26 -5.14 118.16 112.71 1jk9 n LYS 69 Ca -0.18 -3.37 -0.23 0.00 -2.02 0.00 0.00 58.31 52.51 1jk9 n LYS 69 Cb 0.53 0.65 0.08 0.00 -0.02 0.00 0.00 35.03 36.27 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 -2.65 2.33 0.39 -0.18 -4.23 -1.26 -4.72 115.64 105.32 1jk9 s THR 70 Ca 0.14 -0.53 -0.25 0.00 -1.18 0.00 0.00 61.69 59.86 1jk9 s THR 70 Cb -0.01 -2.80 -0.09 0.00 1.34 0.00 0.00 72.50 70.95 1jk9 s THR 70 CO 0.09 0.00 1.12 -2.28 -0.54 0.00 0.00 174.62 173.01 1jk9 s HIS 71 N -3.07 3.19 0.21 3.99 2.46 -0.10 -3.12 115.29 118.85 1jk9 s HIS 71 Ca 0.63 1.60 -0.11 0.00 0.47 0.00 0.00 55.06 57.64 1jk9 s HIS 71 Cb -0.08 -3.29 0.04 0.00 -0.13 0.00 0.00 32.58 29.12 1jk9 s HIS 71 CO 0.43 -1.00 0.58 0.41 -2.47 0.00 0.00 174.74 172.69 1jk9 n GLY 72 N 0.60 1.14 3.91 1.59 0.00 -1.26 -4.47 105.19 106.70 1jk9 n GLY 72 Ca 0.04 -1.13 -0.28 0.00 0.00 0.00 0.00 46.02 44.65 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 -1.70 3.11 0.46 4.61 0.00 -1.13 -4.73 121.76 122.39 1jk9 s ALA 73 Ca 0.12 -0.60 0.38 0.00 0.00 0.00 0.00 51.96 51.86 1jk9 s ALA 73 Cb -0.03 -2.76 1.95 0.00 0.00 0.00 0.00 23.12 22.28 1jk9 s ALA 73 CO 0.06 -1.02 2.21 -1.35 0.00 0.00 0.00 175.76 175.66 1jk9 h PRO 74 N -0.43 0.00 -0.36 0.00 0.11 -1.90 -2.06 132.00 127.36 1jk9 h PRO 74 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1jk9 h PRO 74 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1jk9 h PRO 74 CO 0.62 0.02 0.00 0.25 -0.21 0.00 0.00 178.00 178.68 1jk9 n THR 75 N -3.20 0.47 -3.38 -1.15 -2.24 -1.26 -4.94 114.28 98.58 1jk9 n THR 75 Ca -0.02 -0.62 -0.22 0.00 -2.27 0.00 0.00 64.05 60.92 1jk9 n THR 75 Cb 0.17 0.64 -0.01 0.00 -2.10 0.00 0.00 70.33 69.03 1jk9 n THR 75 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1jk9 s ASP 76 N -1.39 6.12 -0.08 3.42 1.01 -0.78 -5.03 116.67 119.96 1jk9 s ASP 76 Ca 0.36 0.25 -0.14 0.00 0.71 0.00 0.00 52.55 53.73 1jk9 s ASP 76 Cb 0.20 -1.75 -0.29 0.00 1.01 0.00 0.00 42.92 42.10 1jk9 s ASP 76 CO 0.28 -0.39 0.62 -0.33 0.21 0.00 0.00 175.17 175.57 1jk9 h GLU 77 N 0.75 0.32 -5.45 8.23 5.08 -1.92 -3.42 114.58 118.17 1jk9 h GLU 77 Ca -0.49 -0.54 -0.63 0.00 -1.00 0.00 0.00 59.36 56.70 1jk9 h GLU 77 Cb 1.24 0.20 -0.15 0.00 0.50 0.00 0.00 28.75 30.54 1jk9 h GLU 77 CO 0.59 1.26 0.50 0.08 -1.00 0.00 0.00 179.01 180.43 1jk9 s VAL 78 N -2.52 4.39 -0.01 3.13 1.01 -1.26 -4.97 120.40 120.18 1jk9 s VAL 78 Ca -0.18 -0.29 -0.29 0.00 0.00 0.00 0.00 61.98 61.22 1jk9 s VAL 78 Cb 0.05 -4.63 0.08 0.00 0.00 0.00 0.00 36.38 31.88 1jk9 s VAL 78 CO 0.81 -1.35 0.72 0.00 0.00 0.00 0.00 175.10 175.28 1jk9 s ARG 79 N 3.89 1.04 0.38 2.72 1.70 -1.21 -4.01 118.95 123.46 1jk9 s ARG 79 Ca 0.23 0.01 -0.26 0.00 -0.47 0.00 0.00 55.73 55.24 1jk9 s ARG 79 Cb -0.17 0.49 -0.09 0.00 -0.57 0.00 0.00 34.95 34.61 1jk9 s ARG 79 CO 0.12 -0.37 1.19 -1.01 -1.08 0.00 0.00 175.30 174.14 1jk9 s HIS 80 N -1.99 3.10 0.43 5.89 3.76 -1.18 -4.78 115.29 120.52 1jk9 s HIS 80 Ca -0.05 1.54 0.18 0.00 -0.15 0.00 0.00 55.06 56.58 1jk9 s HIS 80 Cb -0.00 -3.45 1.13 0.00 1.11 0.00 0.00 32.58 31.37 1jk9 s HIS 80 CO 0.02 -1.38 2.00 -0.39 -0.85 0.00 0.00 174.74 174.14 1jk9 h VAL 81 N 2.52 0.96 0.00 -0.90 -1.51 -1.89 -2.17 116.25 113.26 1jk9 h VAL 81 Ca -0.49 -0.65 0.00 0.00 -1.23 0.00 0.00 66.70 64.33 1jk9 h VAL 81 Cb 1.23 1.37 0.00 0.00 -2.13 0.00 0.00 31.29 31.76 1jk9 h VAL 81 CO 0.63 0.18 0.00 0.61 -1.23 0.00 0.00 177.57 177.76 1jk9 n GLY 82 N -0.87 -0.77 3.63 5.19 0.00 -0.75 -4.56 105.19 107.07 1jk9 n GLY 82 Ca -0.02 -0.05 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.48 6.57 -0.12 1.61 1.01 -0.82 -0.46 116.67 122.99 1jk9 s ASP 83 Ca 0.12 0.70 0.17 0.00 0.71 0.00 0.00 52.55 54.24 1jk9 s ASP 83 Cb 0.05 -2.33 0.29 0.00 1.01 0.00 0.00 42.92 41.94 1jk9 s ASP 83 CO 0.09 -0.33 1.17 0.23 0.21 0.00 0.00 175.17 176.53 1jk9 n MET 84 N 5.53 1.67 0.00 8.23 2.81 -0.67 -4.53 117.12 130.17 1jk9 n MET 84 Ca -0.01 -2.49 0.00 0.00 -1.81 0.00 0.00 57.70 53.39 1jk9 n MET 84 Cb 0.49 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.52 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 -1.20 2.07 3.56 3.03 0.00 -1.24 -4.74 105.19 106.67 1jk9 n GLY 85 Ca 0.15 -0.50 -0.30 0.00 0.00 0.00 0.00 46.02 45.36 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 4.34 0.19 1.61 0.01 -1.26 -0.32 114.94 115.51 1jk9 s ASN 86 Ca 0.00 -0.37 0.04 0.00 -0.71 0.00 0.00 52.86 51.82 1jk9 s ASN 86 Cb 0.00 -0.83 -0.03 0.00 0.41 0.00 0.00 41.25 40.79 1jk9 s ASN 86 CO 0.00 0.20 0.30 0.68 -1.51 0.00 0.00 177.10 176.77 1jk9 s VAL 87 N -1.15 5.18 -0.12 1.60 -7.23 -0.13 -4.87 120.40 113.68 1jk9 s VAL 87 Ca 0.20 -0.88 -0.03 0.00 -1.81 0.00 0.00 61.98 59.46 1jk9 s VAL 87 Cb -0.11 -3.73 -0.03 0.00 0.56 0.00 0.00 36.38 33.07 1jk9 s VAL 87 CO 0.12 -0.20 -0.01 -0.54 -0.31 0.00 0.00 175.10 174.15 1jk9 s LYS 88 N -3.55 3.29 0.03 4.82 1.02 -1.26 -2.22 119.74 121.87 1jk9 s LYS 88 Ca 0.34 -0.45 0.00 0.00 0.02 0.00 0.00 55.97 55.88 1jk9 s LYS 88 Cb -0.10 -2.85 -0.04 0.00 -0.52 0.00 0.00 37.83 34.32 1jk9 s LYS 88 CO 0.28 0.50 0.12 0.95 -0.92 0.00 0.00 175.35 176.29 1jk9 s THR 89 N -0.34 4.92 0.00 2.17 -4.23 -0.42 -4.29 115.64 113.45 1jk9 s THR 89 Ca 0.06 -0.47 0.00 0.00 -1.18 0.00 0.00 61.69 60.10 1jk9 s THR 89 Cb -0.12 -3.33 0.00 0.00 1.34 0.00 0.00 72.50 70.39 1jk9 s THR 89 CO 0.02 0.24 0.00 -0.90 -0.54 0.00 0.00 174.62 173.44 1jk9 n ASP 90 N 0.74 0.00 0.26 3.99 5.68 0.35 -2.95 116.55 124.62 1jk9 n ASP 90 Ca -0.10 -0.81 0.12 0.00 -0.50 0.00 0.00 54.79 53.50 1jk9 n ASP 90 Cb 0.52 0.00 0.68 0.00 -1.14 0.00 0.00 41.12 41.18 1jk9 n ASP 90 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1jk9 h GLU 91 N 0.00 0.00 -0.52 0.11 9.09 -1.91 0.45 114.58 121.81 1jk9 h GLU 91 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1jk9 h GLU 91 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 1jk9 h GLU 91 CO 0.00 0.14 0.00 0.09 0.05 0.00 0.00 179.01 179.29 1jk9 n ASN 92 N -3.69 2.74 -0.71 3.06 3.02 -1.26 -4.61 115.26 113.81 1jk9 n ASN 92 Ca -0.02 -2.14 -0.09 0.00 -0.03 0.00 0.00 54.58 52.30 1jk9 n ASN 92 Cb 0.25 -0.38 -0.04 0.00 -0.61 0.00 0.00 39.78 39.01 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 1.00 1.07 3.90 7.41 0.00 -0.64 -4.57 105.19 113.37 1jk9 n GLY 93 Ca 0.15 -0.44 -0.33 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.26 5.37 -0.17 1.61 1.01 -1.26 -0.73 120.40 123.97 1jk9 s VAL 94 Ca 0.00 -0.10 -0.00 0.00 0.00 0.00 0.00 61.98 61.88 1jk9 s VAL 94 Cb 0.00 -3.57 0.04 0.00 0.00 0.00 0.00 36.38 32.85 1jk9 s VAL 94 CO 0.00 0.28 -0.07 0.00 0.00 0.00 0.00 175.10 175.31 1jk9 s ALA 95 N -1.38 1.61 -0.02 5.51 0.00 0.11 -0.50 121.76 127.10 1jk9 s ALA 95 Ca 0.30 -0.90 0.03 0.00 0.00 0.00 0.00 51.96 51.39 1jk9 s ALA 95 Cb -0.13 -1.14 -0.00 0.00 0.00 0.00 0.00 23.12 21.85 1jk9 s ALA 95 CO 0.20 -0.74 -0.12 0.21 0.00 0.00 0.00 175.76 175.31 1jk9 s LYS 96 N 1.57 1.09 0.00 0.00 2.20 -1.26 0.46 119.74 123.81 1jk9 s LYS 96 Ca 0.01 -0.42 0.00 0.00 -0.36 0.00 0.00 55.97 55.20 1jk9 s LYS 96 Cb -0.15 -1.02 0.00 0.00 -1.51 0.00 0.00 37.83 35.15 1jk9 s LYS 96 CO -0.08 0.22 0.00 0.41 -0.36 0.00 0.00 175.35 175.54 1jk9 n GLY 97 N 2.98 -0.90 3.56 5.54 0.00 -0.33 -4.95 105.19 111.10 1jk9 n GLY 97 Ca -0.16 -1.20 -0.13 0.00 0.00 0.00 0.00 46.02 44.53 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 0.00 0.55 -0.05 1.61 1.04 -1.26 0.92 113.70 116.50 1jk9 s SER 98 Ca 0.00 -1.32 -0.31 0.00 0.48 0.00 0.00 55.95 54.80 1jk9 s SER 98 Cb 0.00 0.68 0.13 0.00 0.10 0.00 0.00 66.02 66.93 1jk9 s SER 98 CO 0.00 -1.33 1.36 0.72 0.98 0.00 0.00 173.24 174.97 1jk9 s PHE 99 N -3.13 -0.02 -0.10 5.02 -0.12 0.76 -4.95 117.98 115.45 1jk9 s PHE 99 Ca 0.26 -0.04 0.03 0.00 -0.05 0.00 0.00 56.93 57.13 1jk9 s PHE 99 Cb -0.01 0.53 0.01 0.00 -0.63 0.00 0.00 43.02 42.91 1jk9 s PHE 99 CO 0.16 -0.15 -0.19 0.15 -0.05 0.00 0.00 175.22 175.14 1jk9 s LYS 100 N -2.19 2.56 0.09 1.99 1.02 -1.26 -1.02 119.74 120.94 1jk9 s LYS 100 Ca 0.17 -0.70 0.09 0.00 0.02 0.00 0.00 55.97 55.55 1jk9 s LYS 100 Cb 0.05 -2.02 -0.04 0.00 -0.52 0.00 0.00 37.83 35.31 1jk9 s LYS 100 CO -0.05 0.08 -0.21 0.34 -0.92 0.00 0.00 175.35 174.59 1jk9 s ASP 101 N 0.59 3.66 -0.06 2.83 2.15 -0.78 -4.94 116.67 120.12 1jk9 s ASP 101 Ca -0.14 -0.57 0.19 0.00 0.43 0.00 0.00 52.55 52.45 1jk9 s ASP 101 Cb -0.17 -0.46 -0.23 0.00 -0.30 0.00 0.00 42.92 41.76 1jk9 s ASP 101 CO 0.05 0.21 0.46 -1.20 -0.17 0.00 0.00 175.17 174.51 1jk9 n SER 102 N 1.11 0.31 0.05 -0.34 7.64 -1.26 -1.49 113.62 119.64 1jk9 n SER 102 Ca -0.16 0.14 -0.21 0.00 1.01 0.00 0.00 58.87 59.64 1jk9 n SER 102 Cb 0.53 0.98 -0.15 0.00 -1.01 0.00 0.00 64.21 64.56 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 0.50 -9.45 -3.43 3.38 -1.95 -3.45 115.31 100.91 1jk9 h LEU 103 Ca -0.25 -0.93 -0.53 0.00 0.09 0.00 0.00 57.88 56.26 1jk9 h LEU 103 Cb 1.65 -0.16 0.02 0.00 0.09 0.00 0.00 40.66 42.26 1jk9 h LEU 103 CO 0.03 1.50 0.97 -0.63 0.09 0.00 0.00 178.44 180.39 1jk9 s ILE 104 N -2.46 3.10 0.03 1.22 1.01 -1.26 -4.98 121.20 117.85 1jk9 s ILE 104 Ca -0.15 0.56 0.02 0.00 0.00 0.00 0.00 60.65 61.09 1jk9 s ILE 104 Cb 0.02 -3.36 -0.02 0.00 0.01 0.00 0.00 42.46 39.11 1jk9 s ILE 104 CO 0.83 0.00 -0.08 -0.54 0.00 0.00 0.00 174.94 175.15 1jk9 s LYS 105 N 2.51 0.56 0.00 2.79 1.02 -1.26 -4.03 119.74 121.33 1jk9 s LYS 105 Ca 0.72 -0.63 0.21 0.00 0.02 0.00 0.00 55.97 56.29 1jk9 s LYS 105 Cb -0.39 -0.41 -0.18 0.00 -0.52 0.00 0.00 37.83 36.34 1jk9 s LYS 105 CO 0.31 0.09 0.94 1.28 -0.92 0.00 0.00 175.35 177.06 1jk9 n LEU 106 N 1.84 1.18 -4.25 3.17 4.32 -1.26 -1.09 117.00 120.91 1jk9 n LEU 106 Ca -0.20 -0.54 -0.21 0.00 -0.02 0.00 0.00 56.01 55.04 1jk9 n LEU 106 Cb 0.55 -0.00 -0.12 0.00 -1.62 0.00 0.00 43.42 42.23 1jk9 n LEU 106 CO 0.22 0.27 -0.49 -0.63 -1.22 0.00 0.00 177.39 175.54 1jk9 s ILE 107 N -2.91 1.48 0.00 -0.08 1.01 -1.26 -4.76 121.20 114.68 1jk9 s ILE 107 Ca 0.10 -1.52 0.00 0.00 0.00 0.00 0.00 60.65 59.22 1jk9 s ILE 107 Cb 0.16 -1.43 0.00 0.00 0.01 0.00 0.00 42.46 41.21 1jk9 s ILE 107 CO 0.81 -0.18 0.00 0.61 0.00 0.00 0.00 174.94 176.18 1jk9 n GLY 108 N 1.00 -0.03 0.35 6.18 0.00 -1.26 -4.32 105.19 107.11 1jk9 n GLY 108 Ca -0.19 -1.80 0.18 0.00 0.00 0.00 0.00 46.02 44.20 1jk9 n GLY 108 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jk9 h PRO 109 N 0.00 0.00 -0.52 1.61 0.13 -1.99 -0.93 132.00 130.31 1jk9 h PRO 109 Ca 0.00 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.02 1jk9 h PRO 109 Cb 0.00 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.06 1jk9 h PRO 109 CO 0.00 0.00 0.11 0.25 -0.23 0.00 0.00 178.00 178.13 1jk9 n THR 110 N -3.28 2.67 -1.74 1.56 -2.24 -1.26 -5.01 114.28 104.97 1jk9 n THR 110 Ca 0.01 -1.82 -0.40 0.00 -2.27 0.00 0.00 64.05 59.57 1jk9 n THR 110 Cb 0.42 -0.31 0.02 0.00 -2.10 0.00 0.00 70.33 68.36 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 -0.28 3.02 -0.58 3.42 2.88 -0.35 -4.37 113.62 117.36 1jk9 n SER 111 Ca 0.32 1.09 0.13 0.00 -1.33 0.00 0.00 58.87 59.08 1jk9 n SER 111 Cb 1.17 -1.58 0.28 0.00 -0.75 0.00 0.00 64.21 63.33 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 -0.38 0.00 -1.75 2.46 0.24 -0.25 -4.93 118.33 113.73 1jk9 n VAL 112 Ca 0.07 -0.30 -0.42 0.00 -2.04 0.00 0.00 64.34 61.65 1jk9 n VAL 112 Cb 0.42 0.90 -0.01 0.00 -1.47 0.00 0.00 33.84 33.68 1jk9 n VAL 112 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1jk9 n VAL 113 N 0.32 1.77 -0.27 3.34 0.31 -1.26 -1.33 118.33 121.20 1jk9 n VAL 113 Ca 0.15 -0.44 0.00 0.00 -0.01 0.00 0.00 64.34 64.03 1jk9 n VAL 113 Cb 0.44 -1.87 0.00 0.00 -0.91 0.00 0.00 33.84 31.50 1jk9 n VAL 113 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1jk9 n GLY 114 N 0.91 1.61 1.91 2.92 0.00 0.09 -5.00 105.19 107.63 1jk9 n GLY 114 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 1jk9 n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jk9 n ARG 115 N -2.00 0.82 -4.35 1.61 1.74 -0.44 -2.94 116.66 111.09 1jk9 n ARG 115 Ca 0.00 -1.54 -0.34 0.00 -0.77 0.00 0.00 57.85 55.20 1jk9 n ARG 115 Cb 0.00 -0.11 -0.10 0.00 -1.02 0.00 0.00 32.46 31.23 1jk9 n ARG 115 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1jk9 s SER 116 N -2.75 5.12 -0.16 0.55 0.01 -1.19 -1.01 113.70 114.27 1jk9 s SER 116 Ca 0.29 0.04 -0.06 0.00 1.31 0.00 0.00 55.95 57.54 1jk9 s SER 116 Cb -0.02 -1.61 -0.04 0.00 0.21 0.00 0.00 66.02 64.56 1jk9 s SER 116 CO 0.19 0.29 0.03 -0.69 0.41 0.00 0.00 173.24 173.46 1jk9 s VAL 117 N -0.35 4.50 -0.01 3.43 1.01 -0.20 -0.25 120.40 128.53 1jk9 s VAL 117 Ca 0.07 -0.15 0.00 0.00 0.00 0.00 0.00 61.98 61.90 1jk9 s VAL 117 Cb -0.12 -2.99 0.01 0.00 0.00 0.00 0.00 36.38 33.28 1jk9 s VAL 117 CO 0.02 0.49 0.01 0.54 0.00 0.00 0.00 175.10 176.17 1jk9 s VAL 118 N 0.17 -0.02 -0.18 2.92 0.11 0.23 -0.78 120.40 122.85 1jk9 s VAL 118 Ca 0.02 0.09 -0.06 0.00 -2.93 0.00 0.00 61.98 59.10 1jk9 s VAL 118 Cb -0.13 -0.04 -0.03 0.00 -1.53 0.00 0.00 36.38 34.65 1jk9 s VAL 118 CO 0.01 0.04 0.03 -0.51 -3.33 0.00 0.00 175.10 171.34 1jk9 s ILE 119 N 0.45 4.43 0.77 7.04 1.10 -1.01 -1.49 121.20 132.50 1jk9 s ILE 119 Ca -0.04 -0.16 -0.04 0.00 -0.51 0.00 0.00 60.65 59.90 1jk9 s ILE 119 Cb -0.05 -2.98 0.14 0.00 0.15 0.00 0.00 42.46 39.71 1jk9 s ILE 119 CO -0.01 0.46 1.06 -1.00 -2.11 0.00 0.00 174.94 173.34 1jk9 s HIS 120 N 0.46 1.56 -0.11 3.50 3.76 0.64 -3.69 115.29 121.42 1jk9 s HIS 120 Ca 0.01 -0.17 0.21 0.00 -0.15 0.00 0.00 55.06 54.96 1jk9 s HIS 120 Cb -0.13 -3.22 -0.23 0.00 1.11 0.00 0.00 32.58 30.11 1jk9 s HIS 120 CO 0.01 -1.91 0.59 0.00 -0.85 0.00 0.00 174.74 172.58 1jk9 n ALA 121 N -3.03 2.48 -3.12 -1.40 0.00 -0.54 -4.49 120.51 110.41 1jk9 n ALA 121 Ca 0.15 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 53.03 1jk9 n ALA 121 Cb 0.60 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 19.28 1jk9 n ALA 121 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jk9 n GLY 122 N 1.32 5.27 3.62 0.00 0.00 -0.45 -4.97 105.19 109.98 1jk9 n GLY 122 Ca -0.08 -2.09 -0.34 0.00 0.00 0.00 0.00 46.02 43.51 1jk9 n GLY 122 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1jk9 s GLN 123 N 0.17 3.34 -0.08 1.61 0.74 -1.23 -1.51 119.66 122.70 1jk9 s GLN 123 Ca 0.00 -0.43 -0.30 0.00 0.05 0.00 0.00 55.36 54.68 1jk9 s GLN 123 Cb 0.00 -2.89 -0.03 0.00 1.10 0.00 0.00 33.01 31.19 1jk9 s GLN 123 CO 0.00 0.50 1.22 0.34 -0.55 0.00 0.00 175.29 176.80 1jk9 s ASP 124 N -0.32 7.02 -0.00 6.67 -1.08 -1.26 -4.17 116.67 123.53 1jk9 s ASP 124 Ca 0.07 1.79 0.00 0.00 -0.52 0.00 0.00 52.55 53.88 1jk9 s ASP 124 Cb -0.12 -2.55 0.01 0.00 -1.46 0.00 0.00 42.92 38.80 1jk9 s ASP 124 CO 0.02 -0.64 0.82 -0.90 0.52 0.00 0.00 175.17 174.99 1jk9 n ASP 125 N 5.59 0.47 -0.93 -0.34 5.68 -0.58 -4.85 116.55 121.60 1jk9 n ASP 125 Ca 0.12 -2.01 -0.11 0.00 -0.50 0.00 0.00 54.79 52.29 1jk9 n ASP 125 Cb 0.46 -0.20 -0.05 0.00 -1.14 0.00 0.00 41.12 40.19 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 -0.27 -0.46 0.00 -2.12 4.77 -1.26 -1.67 117.00 115.98 1jk9 n LEU 126 Ca 0.00 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 1jk9 n LEU 126 Cb 0.11 -2.43 0.00 0.00 -2.33 0.00 0.00 43.42 38.77 1jk9 n LEU 126 CO 0.00 -0.92 0.00 0.61 -1.33 0.00 0.00 177.39 175.76 1jk9 n GLY 127 N 0.14 1.89 0.15 -0.72 0.00 -1.25 -2.82 105.19 102.59 1jk9 n GLY 127 Ca -0.11 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.04 1jk9 n GLY 127 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jk9 h LYS 128 N 2.57 0.00 -6.86 1.61 1.57 -1.60 -3.41 116.57 110.45 1jk9 h LYS 128 Ca 0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 1jk9 h LYS 128 Cb 0.00 0.00 0.21 0.00 0.08 0.00 0.00 32.23 32.52 1jk9 h LYS 128 CO 0.00 0.00 -0.42 0.41 -0.57 0.00 0.00 179.45 178.87 1jk9 n GLY 129 N 0.29 -1.69 0.17 3.86 0.00 -1.25 -4.93 105.19 101.64 1jk9 n GLY 129 Ca 0.03 -0.71 -0.17 0.00 0.00 0.00 0.00 46.02 45.16 1jk9 n GLY 129 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1jk9 h ASP 130 N -1.51 0.69 -2.56 1.61 3.32 -1.98 -3.46 116.42 112.53 1jk9 h ASP 130 Ca -0.44 -0.69 -0.47 0.00 0.02 0.00 0.00 57.03 55.45 1jk9 h ASP 130 Cb 1.28 -0.21 0.23 0.00 0.22 0.00 0.00 39.33 40.86 1jk9 h ASP 130 CO 0.36 1.28 -0.96 0.35 -1.72 0.00 0.00 179.24 178.56 1jk9 n THR 131 N -4.12 0.00 0.09 0.35 -2.24 -1.26 -4.92 114.28 102.17 1jk9 n THR 131 Ca -0.09 -0.28 -0.13 0.00 -2.27 0.00 0.00 64.05 61.28 1jk9 n THR 131 Cb 0.69 -0.62 -0.12 0.00 -2.10 0.00 0.00 70.33 68.19 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 -1.99 0.19 -0.27 -0.78 4.57 -2.00 -3.14 114.58 111.16 1jk9 h GLU 132 Ca -0.52 -0.31 -0.06 0.00 -1.18 0.00 0.00 59.36 57.29 1jk9 h GLU 132 Cb 1.34 0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 30.03 1jk9 h GLU 132 CO 0.38 1.13 -0.09 1.49 -1.18 0.00 0.00 179.01 180.74 1jk9 h GLU 133 N 0.06 0.44 0.00 1.92 4.57 -1.98 -2.17 114.58 117.43 1jk9 h GLU 133 Ca -0.09 -0.11 -0.04 0.00 -1.18 0.00 0.00 59.36 57.94 1jk9 h GLU 133 Cb 1.85 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 30.38 1jk9 h GLU 133 CO 0.18 0.54 -0.18 1.03 -1.18 0.00 0.00 179.01 179.40 1jk9 h SER 134 N 0.42 0.00 0.31 1.04 0.87 -1.87 -1.72 113.55 112.59 1jk9 h SER 134 Ca 0.08 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 1jk9 h SER 134 Cb 0.41 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 1jk9 h SER 134 CO 0.02 0.18 -0.09 0.18 -0.53 0.00 0.00 176.83 176.58 1jk9 n LEU 135 N -4.24 0.51 -0.01 2.23 4.77 -0.83 -3.26 117.00 116.19 1jk9 n LEU 135 Ca -0.02 -0.03 -0.01 0.00 -0.03 0.00 0.00 56.01 55.92 1jk9 n LEU 135 Cb 0.25 -0.16 -0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1jk9 n LEU 135 CO 0.36 0.09 -0.07 1.17 -1.33 0.00 0.00 177.39 177.61 1jk9 n LYS 136 N -0.88 0.06 -0.03 3.23 4.81 -0.72 -0.92 118.16 123.71 1jk9 n LYS 136 Ca 0.15 0.02 0.03 0.00 -0.87 0.00 0.00 58.31 57.65 1jk9 n LYS 136 Cb 0.27 -0.46 -0.13 0.00 0.02 0.00 0.00 35.03 34.73 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 -2.77 0.37 -0.37 3.15 -2.24 -0.81 -4.60 114.28 107.01 1jk9 n THR 137 Ca -0.02 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 1jk9 n THR 137 Cb 0.06 -0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.16 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 1.69 0.78 3.77 3.38 0.00 -1.10 -4.28 105.19 109.44 1jk9 n GLY 138 Ca -0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.64 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 0.00 -5.54 -0.19 1.61 3.02 -1.26 -1.52 115.26 111.37 1jk9 n ASN 139 Ca 0.00 -0.67 0.15 0.00 -0.03 0.00 0.00 54.58 54.03 1jk9 n ASN 139 Cb 0.00 -4.41 0.75 0.00 -0.61 0.00 0.00 39.78 35.51 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 -4.84 2.65 -0.49 5.41 0.00 -1.26 -4.58 120.51 117.41 1jk9 n ALA 140 Ca 0.03 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.17 1jk9 n ALA 140 Cb 0.54 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.63 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 1.10 -0.12 3.33 0.00 0.00 -1.26 -1.34 105.19 106.90 1jk9 n GLY 141 Ca 0.21 -1.01 -0.31 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.10 -3.59 1.61 -0.02 -1.26 -4.70 135.00 124.95 1jk9 n PRO 142 Ca 0.00 -0.59 -0.29 0.00 -2.02 0.00 0.00 63.50 60.60 1jk9 n PRO 142 Cb 0.00 -1.85 -0.12 0.00 -0.02 0.00 0.00 33.50 31.51 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 -3.79 1.09 0.59 -0.52 3.03 -1.26 -1.46 118.95 116.63 1jk9 s ARG 143 Ca 0.60 -1.94 0.30 0.00 2.03 0.00 0.00 55.73 56.72 1jk9 s ARG 143 Cb -0.16 -1.93 1.80 0.00 -1.03 0.00 0.00 34.95 33.63 1jk9 s ARG 143 CO 0.65 -1.23 2.23 -1.00 -1.13 0.00 0.00 175.30 174.82 1jk9 h PRO 144 N 6.47 0.00 -3.58 3.89 0.13 -1.86 -3.44 132.00 133.60 1jk9 h PRO 144 Ca 0.08 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.11 1jk9 h PRO 144 Cb 0.92 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 31.88 1jk9 h PRO 144 CO 0.41 0.00 -0.38 0.00 -0.23 0.00 0.00 178.00 177.81 1jk9 s ALA 145 N -4.62 -0.37 0.13 -0.56 0.00 -1.24 -3.95 121.76 111.14 1jk9 s ALA 145 Ca -0.05 -0.32 -0.25 0.00 0.00 0.00 0.00 51.96 51.34 1jk9 s ALA 145 Cb 0.15 0.32 0.08 0.00 0.00 0.00 0.00 23.12 23.67 1jk9 s ALA 145 CO 0.54 -0.39 1.05 0.00 0.00 0.00 0.00 175.76 176.96 1jk9 s GLY 147 N -3.13 -0.36 0.09 0.00 0.00 0.04 -0.78 107.32 103.19 1jk9 s GLY 147 Ca 0.16 1.48 -0.22 0.00 0.00 0.00 0.00 44.72 46.15 1jk9 s GLY 147 CO 0.02 0.60 0.65 0.14 0.00 0.00 0.00 173.10 174.51 1jk9 s VAL 148 N -2.34 4.65 -0.22 1.40 1.01 -1.26 -1.04 120.40 122.61 1jk9 s VAL 148 Ca 0.04 1.40 -0.25 0.00 0.00 0.00 0.00 61.98 63.16 1jk9 s VAL 148 Cb -0.01 -3.99 -0.01 0.00 0.00 0.00 0.00 36.38 32.37 1jk9 s VAL 148 CO -0.05 0.51 0.86 -0.63 0.00 0.00 0.00 175.10 175.79 1jk9 s ILE 149 N -0.91 4.83 0.14 2.22 1.01 -0.18 -4.25 121.20 124.06 1jk9 s ILE 149 Ca 0.32 1.65 0.07 0.00 0.00 0.00 0.00 60.65 62.69 1jk9 s ILE 149 Cb -0.20 -4.15 -0.04 0.00 0.01 0.00 0.00 42.46 38.08 1jk9 s ILE 149 CO 0.21 -0.05 -0.17 -0.83 0.00 0.00 0.00 174.94 174.10 1jk9 s GLY 150 N 1.26 1.23 0.36 6.18 0.00 -0.45 -0.73 107.32 115.18 1jk9 s GLY 150 Ca 0.37 -1.37 -0.28 0.00 0.00 0.00 0.00 44.72 43.45 1jk9 s GLY 150 CO 0.09 -1.42 1.34 1.08 0.00 0.00 0.00 173.10 174.19 1jk9 s LEU 151 N -2.47 4.34 0.00 0.66 2.01 -1.26 -1.21 118.68 120.75 1jk9 s LEU 151 Ca 0.11 2.75 -0.01 0.00 0.01 0.00 0.00 54.13 56.99 1jk9 s LEU 151 Cb -0.06 -3.73 0.01 0.00 0.01 0.00 0.00 46.19 42.42 1jk9 s LEU 151 CO 0.05 -0.70 0.46 1.07 1.01 0.00 0.00 176.35 178.24 1jk9 n THR 152 N 0.52 0.00 -0.90 5.49 5.66 -1.05 -4.85 114.28 119.15 1jk9 n THR 152 Ca 0.01 -1.75 0.00 0.00 -3.05 0.00 0.00 64.05 59.27 1jk9 n THR 152 Cb 0.42 1.07 0.00 0.00 -1.55 0.00 0.00 70.33 70.26 1jk9 n THR 152 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82