#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k91 n THR 2 N 0.00 0.00 -3.96 0.00 -2.24 -0.72 -4.87 114.28 102.50 3k91 n THR 2 Ca 0.00 -0.29 -0.11 0.00 -2.27 0.00 0.00 64.05 61.38 3k91 n THR 2 Cb 0.00 0.83 -0.12 0.00 -2.10 0.00 0.00 70.33 68.93 3k91 n THR 2 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3k91 s LYS 3 N -1.88 0.22 0.18 -0.78 2.20 -1.11 0.29 119.74 118.85 3k91 s LYS 3 Ca 0.01 -0.36 0.02 0.00 -0.36 0.00 0.00 55.97 55.28 3k91 s LYS 3 Cb 0.05 0.00 -0.05 0.00 -1.51 0.00 0.00 37.83 36.33 3k91 s LYS 3 CO 0.29 -0.01 0.00 0.00 -0.36 0.00 0.00 175.35 175.27 3k91 s ALA 4 N -0.82 1.38 -0.01 3.13 0.00 0.48 -0.95 121.76 124.98 3k91 s ALA 4 Ca -0.08 -1.61 -0.15 0.00 0.00 0.00 0.00 51.96 50.12 3k91 s ALA 4 Cb -0.06 0.56 0.02 0.00 0.00 0.00 0.00 23.12 23.65 3k91 s ALA 4 CO -0.00 -0.32 0.32 0.54 0.00 0.00 0.00 175.76 176.30 3k91 s VAL 5 N -3.65 0.06 -0.03 0.00 0.11 -0.01 -0.76 120.40 116.13 3k91 s VAL 5 Ca 0.25 -0.49 -0.01 0.00 -2.93 0.00 0.00 61.98 58.80 3k91 s VAL 5 Cb 0.06 -0.68 0.03 0.00 -1.53 0.00 0.00 36.38 34.26 3k91 s VAL 5 CO 0.04 -0.27 0.07 0.00 -3.33 0.00 0.00 175.10 171.62 3k91 s VAL 7 N 1.01 5.24 -0.04 0.00 1.01 -1.26 -1.41 120.40 124.94 3k91 s VAL 7 Ca -0.08 -0.14 -0.23 0.00 0.00 0.00 0.00 61.98 61.53 3k91 s VAL 7 Cb -0.11 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 3k91 s VAL 7 CO -0.04 -0.06 0.68 -0.76 0.00 0.00 0.00 175.10 174.93 3k91 s LEU 8 N 1.83 4.35 0.03 3.92 1.43 0.24 -3.82 118.68 126.66 3k91 s LEU 8 Ca 0.08 1.20 -0.13 0.00 -1.03 0.00 0.00 54.13 54.25 3k91 s LEU 8 Cb -0.17 -3.05 0.02 0.00 0.03 0.00 0.00 46.19 43.01 3k91 s LEU 8 CO 0.11 -0.05 0.28 -0.75 0.23 0.00 0.00 176.35 176.17 3k91 s LYS 9 N 0.50 0.74 0.00 1.70 2.20 -0.75 -2.43 119.74 121.71 3k91 s LYS 9 Ca 0.36 -0.43 0.00 0.00 -0.36 0.00 0.00 55.97 55.54 3k91 s LYS 9 Cb -0.18 0.32 0.00 0.00 -1.51 0.00 0.00 37.83 36.46 3k91 s LYS 9 CO 0.18 -0.22 0.00 0.41 -0.36 0.00 0.00 175.35 175.36 3k91 n GLY 10 N 0.82 3.20 0.25 5.54 0.00 -1.24 -1.76 105.19 111.99 3k91 n GLY 10 Ca -0.20 -1.34 0.15 0.00 0.00 0.00 0.00 46.02 44.63 3k91 n GLY 10 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3k91 h ASP 11 N 0.00 0.00 -0.74 1.61 3.32 -1.93 -3.46 116.42 115.22 3k91 h ASP 11 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3k91 h ASP 11 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3k91 h ASP 11 CO 0.00 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.13 3k91 n GLY 12 N 0.49 2.56 0.23 2.75 0.00 -1.26 -5.02 105.19 104.93 3k91 n GLY 12 Ca 0.02 -1.95 0.14 0.00 0.00 0.00 0.00 46.02 44.23 3k91 n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3k91 n PRO 13 N 0.00 0.97 -2.27 1.61 -0.04 -1.26 -4.90 135.00 129.11 3k91 n PRO 13 Ca 0.00 -0.47 -0.42 0.00 -0.04 0.00 0.00 63.50 62.57 3k91 n PRO 13 Cb 0.00 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 31.94 3k91 n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3k91 s VAL 14 N -2.35 3.91 -0.04 0.52 1.01 -1.26 -4.27 120.40 117.92 3k91 s VAL 14 Ca 0.30 1.21 -0.12 0.00 0.00 0.00 0.00 61.98 63.38 3k91 s VAL 14 Cb 0.20 -3.78 0.02 0.00 0.00 0.00 0.00 36.38 32.82 3k91 s VAL 14 CO 0.45 -0.05 0.27 0.00 0.00 0.00 0.00 175.10 175.78 3k91 s GLN 15 N 2.93 0.53 0.11 2.72 -2.07 -0.55 -3.66 119.66 119.68 3k91 s GLN 15 Ca 0.62 -0.04 -0.26 0.00 -1.82 0.00 0.00 55.36 53.86 3k91 s GLN 15 Cb -0.28 0.24 0.07 0.00 -1.09 0.00 0.00 33.01 31.95 3k91 s GLN 15 CO 0.23 -0.13 0.90 0.20 -1.32 0.00 0.00 175.29 175.18 3k91 s GLY 16 N -0.87 -0.32 -0.10 2.60 0.00 -1.02 -0.45 107.32 107.16 3k91 s GLY 16 Ca -0.09 0.40 0.02 0.00 0.00 0.00 0.00 44.72 45.05 3k91 s GLY 16 CO 0.03 0.11 -0.15 -0.42 0.00 0.00 0.00 173.10 172.66 3k91 s ILE 17 N -3.30 1.48 -0.08 0.90 -1.09 -1.00 -0.59 121.20 117.52 3k91 s ILE 17 Ca 0.09 -0.64 0.04 0.00 -2.23 0.00 0.00 60.65 57.91 3k91 s ILE 17 Cb -0.02 -1.34 -0.00 0.00 -1.58 0.00 0.00 42.46 39.52 3k91 s ILE 17 CO -0.02 0.44 -0.22 -0.63 -1.23 0.00 0.00 174.94 173.27 3k91 s ILE 18 N 0.89 1.87 0.06 2.92 -1.09 -0.50 -2.50 121.20 122.85 3k91 s ILE 18 Ca -0.09 -0.93 0.03 0.00 -2.23 0.00 0.00 60.65 57.42 3k91 s ILE 18 Cb -0.15 -1.61 -0.04 0.00 -1.58 0.00 0.00 42.46 39.07 3k91 s ILE 18 CO 0.00 0.52 0.05 0.20 -1.23 0.00 0.00 174.94 174.48 3k91 s ASN 19 N 0.19 5.35 -0.05 3.58 -0.87 0.14 -0.90 114.94 122.38 3k91 s ASN 19 Ca -0.12 -0.03 0.02 0.00 -1.57 0.00 0.00 52.86 51.17 3k91 s ASN 19 Cb -0.16 -1.41 0.01 0.00 -0.02 0.00 0.00 41.25 39.67 3k91 s ASN 19 CO 0.06 0.21 -0.11 -0.36 -2.57 0.00 0.00 177.10 174.33 3k91 s PHE 20 N -1.29 1.25 -0.03 2.20 0.40 0.07 -1.60 117.98 118.97 3k91 s PHE 20 Ca 0.26 -0.40 0.02 0.00 -0.60 0.00 0.00 56.93 56.21 3k91 s PHE 20 Cb -0.12 -0.91 0.01 0.00 0.51 0.00 0.00 43.02 42.51 3k91 s PHE 20 CO 0.18 -0.20 -0.05 -2.00 0.70 0.00 0.00 175.22 173.85 3k91 s GLU 21 N 0.47 0.68 -0.39 0.44 2.12 0.09 -0.38 118.70 121.73 3k91 s GLU 21 Ca -0.09 -0.16 0.02 0.00 0.36 0.00 0.00 54.97 55.10 3k91 s GLU 21 Cb -0.13 -0.68 0.16 0.00 0.26 0.00 0.00 34.13 33.74 3k91 s GLU 21 CO 0.02 0.02 0.29 -1.14 -0.54 0.00 0.00 175.26 173.91 3k91 s GLN 22 N 0.44 0.77 0.51 4.30 0.74 0.14 -0.31 119.66 126.26 3k91 s GLN 22 Ca -0.06 -1.80 0.25 0.00 0.05 0.00 0.00 55.36 53.80 3k91 s GLN 22 Cb -0.09 -1.39 1.39 0.00 1.10 0.00 0.00 33.01 34.02 3k91 s GLN 22 CO -0.00 -1.31 2.07 0.87 -0.55 0.00 0.00 175.29 176.37 3k91 h LYS 23 N 6.20 0.00 -5.29 1.67 1.79 -1.83 -3.42 116.57 115.69 3k91 h LYS 23 Ca 0.18 0.00 -0.67 0.00 -2.18 0.00 0.00 60.65 57.98 3k91 h LYS 23 Cb 0.93 0.00 -0.32 0.00 -1.58 0.00 0.00 32.23 31.27 3k91 h LYS 23 CO 0.33 0.12 -0.85 -1.21 -1.08 0.00 0.00 179.45 176.76 3k91 s GLU 24 N -4.31 3.13 0.17 3.15 8.01 -1.26 -5.04 118.70 122.54 3k91 s GLU 24 Ca -0.03 -0.82 -0.33 0.00 0.01 0.00 0.00 54.97 53.79 3k91 s GLU 24 Cb 0.14 -2.42 -0.15 0.00 -4.31 0.00 0.00 34.13 27.38 3k91 s GLU 24 CO 0.60 0.13 1.31 0.43 0.01 0.00 0.00 175.26 177.74 3k91 n SER 25 N 3.69 1.95 0.00 -0.19 7.64 -1.26 -0.25 113.62 125.20 3k91 n SER 25 Ca -0.19 1.13 0.00 0.00 1.01 0.00 0.00 58.87 60.82 3k91 n SER 25 Cb 0.53 -1.29 0.00 0.00 -1.01 0.00 0.00 64.21 62.44 3k91 n SER 25 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3k91 n ASN 26 N 2.33 -1.74 -4.28 6.43 3.02 -1.26 -4.97 115.26 114.79 3k91 n ASN 26 Ca 0.15 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.42 3k91 n ASN 26 Cb 0.25 -1.96 0.16 0.00 -0.61 0.00 0.00 39.78 37.63 3k91 n ASN 26 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3k91 s GLY 27 N -2.00 1.77 0.62 7.41 0.00 0.66 -5.03 107.32 110.75 3k91 s GLY 27 Ca 0.00 -1.35 -0.19 0.00 0.00 0.00 0.00 44.72 43.19 3k91 s GLY 27 CO 0.00 -0.63 1.26 -4.14 0.00 0.00 0.00 173.10 169.59 3k91 s PRO 28 N -5.69 2.78 -0.22 2.90 0.02 -1.26 -4.88 135.00 128.65 3k91 s PRO 28 Ca 0.72 1.96 -0.06 0.00 0.02 0.00 0.00 61.00 63.64 3k91 s PRO 28 Cb -0.04 -1.91 -0.03 0.00 0.02 0.00 0.00 34.50 32.54 3k91 s PRO 28 CO 0.51 -1.39 0.04 0.08 -0.33 0.00 0.00 177.00 175.90 3k91 s VAL 29 N -1.48 4.26 0.01 3.83 1.01 0.85 -4.60 120.40 124.29 3k91 s VAL 29 Ca 0.80 -0.20 -0.29 0.00 0.00 0.00 0.00 61.98 62.28 3k91 s VAL 29 Cb -0.34 -2.95 -0.03 0.00 0.00 0.00 0.00 36.38 33.05 3k91 s VAL 29 CO 0.37 0.40 0.95 -0.54 0.00 0.00 0.00 175.10 176.28 3k91 s LYS 30 N 1.11 4.56 -0.14 2.72 -0.14 0.58 -1.00 119.74 127.42 3k91 s LYS 30 Ca 0.03 1.37 0.02 0.00 -1.36 0.00 0.00 55.97 56.03 3k91 s LYS 30 Cb -0.14 -3.45 0.02 0.00 -1.68 0.00 0.00 37.83 32.57 3k91 s LYS 30 CO 0.02 -0.01 -0.19 0.08 -0.76 0.00 0.00 175.35 174.50 3k91 s VAL 31 N 0.86 1.84 0.07 3.17 1.01 0.88 -0.73 120.40 127.51 3k91 s VAL 31 Ca 0.50 -0.83 -0.15 0.00 0.00 0.00 0.00 61.98 61.50 3k91 s VAL 31 Cb -0.21 -1.66 0.03 0.00 0.00 0.00 0.00 36.38 34.53 3k91 s VAL 31 CO 0.27 0.51 0.35 -1.66 0.00 0.00 0.00 175.10 174.57 3k91 s TRP 32 N 1.09 -0.15 -5.00 5.22 -2.14 -0.63 0.17 118.94 117.49 3k91 s TRP 32 Ca -0.02 -0.04 0.00 0.00 2.66 0.00 0.00 56.10 58.70 3k91 s TRP 32 Cb -0.14 0.16 0.00 0.00 -3.10 0.00 0.00 33.47 30.39 3k91 s TRP 32 CO -0.06 -0.59 0.00 0.41 -2.66 0.00 0.00 176.95 174.05 3k91 n GLY 33 N 0.24 -0.40 3.13 3.67 0.00 -0.60 0.23 105.19 111.47 3k91 n GLY 33 Ca -0.17 -1.02 -0.13 0.00 0.00 0.00 0.00 46.02 44.70 3k91 n GLY 33 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3k91 s SER 34 N -4.00 -0.23 -0.07 1.61 0.15 -1.04 -0.21 113.70 109.90 3k91 s SER 34 Ca 0.00 0.42 0.04 0.00 0.70 0.00 0.00 55.95 57.11 3k91 s SER 34 Cb 0.00 0.47 0.00 0.00 -1.71 0.00 0.00 66.02 64.78 3k91 s SER 34 CO 0.00 -0.13 -0.19 -0.63 1.20 0.00 0.00 173.24 173.49 3k91 s ILE 35 N -0.06 1.63 0.38 6.45 1.01 0.27 -2.38 121.20 128.50 3k91 s ILE 35 Ca -0.02 -0.79 0.06 0.00 0.00 0.00 0.00 60.65 59.90 3k91 s ILE 35 Cb -0.02 -1.42 -0.07 0.00 0.01 0.00 0.00 42.46 40.95 3k91 s ILE 35 CO 0.01 0.46 0.02 -1.59 0.00 0.00 0.00 174.94 173.84 3k91 s LYS 36 N 0.31 1.86 0.00 2.79 -2.85 0.41 0.59 119.74 122.85 3k91 s LYS 36 Ca -0.12 -2.04 0.00 0.00 -1.00 0.00 0.00 55.97 52.80 3k91 s LYS 36 Cb -0.15 -1.40 0.00 0.00 -2.06 0.00 0.00 37.83 34.21 3k91 s LYS 36 CO 0.05 -0.09 0.00 0.41 0.10 0.00 0.00 175.35 175.83 3k91 n GLY 37 N -0.88 0.68 3.96 0.59 0.00 -0.86 -1.48 105.19 107.20 3k91 n GLY 37 Ca -0.04 -0.11 -0.22 0.00 0.00 0.00 0.00 46.02 45.65 3k91 n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k91 s LEU 38 N 0.00 3.89 0.33 0.99 1.43 -0.80 -4.23 118.68 120.29 3k91 s LEU 38 Ca 0.00 0.24 -0.26 0.00 -1.03 0.00 0.00 54.13 53.08 3k91 s LEU 38 Cb 0.00 -3.11 -0.10 0.00 0.03 0.00 0.00 46.19 43.01 3k91 s LEU 38 CO 0.00 -0.46 0.97 0.42 0.23 0.00 0.00 176.35 177.51 3k91 s THR 39 N -2.36 4.07 0.20 5.49 -4.23 -1.26 -4.23 115.64 113.32 3k91 s THR 39 Ca 0.44 1.71 -0.32 0.00 -1.18 0.00 0.00 61.69 62.33 3k91 s THR 39 Cb -0.10 -3.94 -0.14 0.00 1.34 0.00 0.00 72.50 69.66 3k91 s THR 39 CO 0.35 0.13 1.37 1.21 -0.54 0.00 0.00 174.62 177.14 3k91 n GLU 40 N 0.48 1.77 0.00 3.99 2.13 -1.26 -4.59 120.64 123.16 3k91 n GLU 40 Ca 0.02 0.63 0.00 0.00 0.66 0.00 0.00 57.16 58.48 3k91 n GLU 40 Cb 0.50 -2.27 0.00 0.00 0.27 0.00 0.00 31.44 29.94 3k91 n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3k91 n GLY 41 N 2.36 0.23 3.78 8.31 0.00 -0.27 -4.92 105.19 114.67 3k91 n GLY 41 Ca 0.14 -2.27 -0.39 0.00 0.00 0.00 0.00 46.02 43.50 3k91 n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k91 s LEU 42 N 0.00 4.56 -0.03 0.99 1.43 -1.26 -0.88 118.68 123.48 3k91 s LEU 42 Ca 0.00 1.66 0.00 0.00 -1.03 0.00 0.00 54.13 54.76 3k91 s LEU 42 Cb 0.00 -3.40 0.03 0.00 0.03 0.00 0.00 46.19 42.85 3k91 s LEU 42 CO 0.00 0.17 -0.01 -1.00 0.23 0.00 0.00 176.35 175.74 3k91 s HIS 43 N -1.22 0.41 0.34 0.29 3.76 -0.46 -3.30 115.29 115.11 3k91 s HIS 43 Ca 0.38 -0.05 -0.28 0.00 -0.15 0.00 0.00 55.06 54.96 3k91 s HIS 43 Cb -0.22 -0.47 -0.12 0.00 1.11 0.00 0.00 32.58 32.87 3k91 s HIS 43 CO 0.26 -0.15 1.26 0.41 -0.85 0.00 0.00 174.74 175.67 3k91 n GLY 44 N 4.16 0.50 2.85 -2.22 0.00 -0.02 -1.28 105.19 109.18 3k91 n GLY 44 Ca -0.25 0.31 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 3k91 n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3k91 s PHE 45 N -1.10 1.35 0.04 1.61 5.36 0.11 -0.25 117.98 125.10 3k91 s PHE 45 Ca 0.56 -0.78 -0.10 0.00 -0.96 0.00 0.00 56.93 55.65 3k91 s PHE 45 Cb -0.58 -1.15 0.01 0.00 -0.34 0.00 0.00 43.02 40.95 3k91 s PHE 45 CO 0.62 -0.53 0.21 1.03 -1.46 0.00 0.00 175.22 175.09 3k91 s ARG 46 N 1.75 0.69 -0.19 10.12 0.52 -0.77 -1.37 118.95 129.70 3k91 s ARG 46 Ca 0.02 -0.59 -0.07 0.00 -0.52 0.00 0.00 55.73 54.58 3k91 s ARG 46 Cb -0.14 0.29 -0.04 0.00 0.52 0.00 0.00 34.95 35.58 3k91 s ARG 46 CO -0.07 -0.20 0.05 0.08 0.02 0.00 0.00 175.30 175.17 3k91 s VAL 47 N -2.45 4.55 0.29 3.52 1.01 0.18 -0.77 120.40 126.72 3k91 s VAL 47 Ca -0.06 -0.11 -0.01 0.00 0.00 0.00 0.00 61.98 61.79 3k91 s VAL 47 Cb -0.02 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 3k91 s VAL 47 CO -0.03 0.44 0.51 -1.10 0.00 0.00 0.00 175.10 174.91 3k91 s GLN 48 N 0.64 3.54 0.23 2.72 -1.52 0.21 -0.62 119.66 124.87 3k91 s GLN 48 Ca 0.02 -0.23 -0.08 0.00 -1.95 0.00 0.00 55.36 53.12 3k91 s GLN 48 Cb -0.13 -2.71 0.23 0.00 -0.22 0.00 0.00 33.01 30.18 3k91 s GLN 48 CO 0.02 0.24 1.89 1.49 -0.25 0.00 0.00 175.29 178.67 3k91 h GLU 49 N 1.38 1.07 -6.23 2.91 4.81 -0.73 -3.01 114.58 114.78 3k91 h GLU 49 Ca -0.49 -0.06 -0.68 0.00 -0.13 0.00 0.00 59.36 58.00 3k91 h GLU 49 Cb 1.20 -0.24 -0.17 0.00 0.63 0.00 0.00 28.75 30.17 3k91 h GLU 49 CO 0.65 0.71 -0.69 -0.06 -0.73 0.00 0.00 179.01 178.88 3k91 s PHE 50 N -6.11 2.93 -0.50 0.92 0.08 -0.43 -4.71 117.98 110.15 3k91 s PHE 50 Ca -0.13 -0.00 -0.04 0.00 0.12 0.00 0.00 56.93 56.88 3k91 s PHE 50 Cb 0.17 -1.65 0.08 0.00 -0.57 0.00 0.00 43.02 41.05 3k91 s PHE 50 CO 0.79 0.37 2.72 0.41 -0.10 0.00 0.00 175.22 179.42 3k91 n GLY 51 N 1.75 4.44 3.18 4.36 0.00 -0.92 -2.91 105.19 115.09 3k91 n GLY 51 Ca -0.16 -1.93 -0.37 0.00 0.00 0.00 0.00 46.02 43.56 3k91 n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3k91 s ASP 52 N 0.27 5.29 -0.31 1.61 -1.08 -1.26 -4.93 116.67 116.27 3k91 s ASP 52 Ca 0.58 -1.69 0.08 0.00 -0.52 0.00 0.00 52.55 51.01 3k91 s ASP 52 Cb 0.38 -1.85 0.50 0.00 -1.46 0.00 0.00 42.92 40.48 3k91 s ASP 52 CO -0.23 -0.48 1.46 0.59 0.52 0.00 0.00 175.17 177.03 3k91 n ASN 53 N 4.70 3.00 0.26 -0.34 3.02 -1.26 -3.00 115.26 121.64 3k91 n ASN 53 Ca -0.07 -3.80 0.12 0.00 -0.03 0.00 0.00 54.58 50.80 3k91 n ASN 53 Cb 0.42 -0.62 0.71 0.00 -0.61 0.00 0.00 39.78 39.69 3k91 n ASN 53 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 3k91 h THR 54 N 1.14 0.64 -1.32 3.41 1.35 -1.91 -2.35 112.91 113.86 3k91 h THR 54 Ca 0.26 -0.50 -0.55 0.00 -0.55 0.00 0.00 66.41 65.06 3k91 h THR 54 Cb 1.57 1.31 -0.42 0.00 -1.73 0.00 0.00 68.15 68.88 3k91 h THR 54 CO 0.49 0.12 -0.80 0.00 -0.25 0.00 0.00 175.52 175.07 3k91 n ALA 55 N -2.31 4.83 -0.86 6.62 0.00 -1.26 -5.06 120.51 122.46 3k91 n ALA 55 Ca -0.02 -4.08 0.00 0.00 0.00 0.00 0.00 53.44 49.34 3k91 n ALA 55 Cb 0.23 -0.56 0.00 0.00 0.00 0.00 0.00 19.45 19.12 3k91 n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k91 n GLY 56 N -0.47 2.81 0.01 0.00 0.00 -0.89 -2.29 105.19 104.36 3k91 n GLY 56 Ca 0.36 -0.33 0.14 0.00 0.00 0.00 0.00 46.02 46.19 3k91 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k91 n THR 58 N -1.33 0.45 0.27 0.00 -2.24 -0.97 -3.28 114.28 107.18 3k91 n THR 58 Ca 0.12 -0.09 0.11 0.00 -2.27 0.00 0.00 64.05 61.91 3k91 n THR 58 Cb 0.28 -0.65 0.20 0.00 -2.10 0.00 0.00 70.33 68.06 3k91 n THR 58 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3k91 n SER 59 N -1.94 3.34 0.06 3.42 3.41 -1.23 -4.57 113.62 116.11 3k91 n SER 59 Ca 0.06 -1.96 0.12 0.00 -0.26 0.00 0.00 58.87 56.82 3k91 n SER 59 Cb 0.36 -0.23 0.46 0.00 -0.26 0.00 0.00 64.21 64.54 3k91 n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3k91 n ALA 60 N 1.37 2.01 0.00 7.33 0.00 -1.16 -4.52 120.51 125.54 3k91 n ALA 60 Ca 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.60 3k91 n ALA 60 Cb 0.57 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.63 3k91 n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k91 n GLY 61 N 0.75 -2.05 3.81 0.00 0.00 -1.26 -1.32 105.19 105.13 3k91 n GLY 61 Ca 0.05 -1.62 -0.30 0.00 0.00 0.00 0.00 46.02 44.15 3k91 n GLY 61 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3k91 s PRO 62 N -0.07 2.19 0.55 1.61 0.05 -1.26 -4.61 135.00 133.46 3k91 s PRO 62 Ca 0.00 0.63 -0.21 0.00 0.05 0.00 0.00 61.00 61.46 3k91 s PRO 62 Cb 0.00 -1.93 -0.05 0.00 0.05 0.00 0.00 34.50 32.57 3k91 s PRO 62 CO 0.00 -1.54 1.35 -3.38 0.05 0.00 0.00 177.00 173.48 3k91 s HIS 63 N -3.18 2.27 0.02 0.56 -3.43 -1.26 -0.33 115.29 109.93 3k91 s HIS 63 Ca 0.60 1.38 -0.30 0.00 -0.80 0.00 0.00 55.06 55.94 3k91 s HIS 63 Cb -0.14 -3.79 -0.07 0.00 -1.43 0.00 0.00 32.58 27.15 3k91 s HIS 63 CO 0.54 -2.91 1.63 0.12 -2.00 0.00 0.00 174.74 172.12 3k91 s PHE 64 N -1.31 2.28 -0.45 0.38 5.36 0.21 -4.47 117.98 119.98 3k91 s PHE 64 Ca 0.72 0.31 0.04 0.00 -0.96 0.00 0.00 56.93 57.04 3k91 s PHE 64 Cb -0.40 -3.92 0.25 0.00 -0.34 0.00 0.00 43.02 38.61 3k91 s PHE 64 CO 0.47 -3.76 0.98 -1.71 -1.46 0.00 0.00 175.22 169.75 3k91 n ASN 65 N 6.16 -2.50 -4.69 6.13 5.15 -1.26 -0.98 115.26 123.28 3k91 n ASN 65 Ca 0.16 -2.93 -0.44 0.00 -0.60 0.00 0.00 54.58 50.76 3k91 n ASN 65 Cb 0.42 1.56 -0.03 0.00 -0.53 0.00 0.00 39.78 41.19 3k91 n ASN 65 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 3k91 n PRO 66 N 1.59 2.30 0.00 1.20 -0.02 -1.26 -5.00 135.00 133.81 3k91 n PRO 66 Ca 0.07 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.37 3k91 n PRO 66 Cb 0.65 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 3k91 n PRO 66 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3k91 n LEU 67 N 3.01 0.00 -0.98 2.45 7.99 -1.26 -5.04 117.00 123.16 3k91 n LEU 67 Ca 0.14 0.00 -0.09 0.00 -0.01 0.00 0.00 56.01 56.05 3k91 n LEU 67 Cb 0.31 0.00 0.01 0.00 -0.11 0.00 0.00 43.42 43.63 3k91 n LEU 67 CO 0.63 0.00 -0.35 -2.11 -1.51 0.00 0.00 177.39 174.05 3k91 n ARG 79 N 0.00 0.00 -2.50 3.23 1.85 -1.26 -5.26 116.66 112.72 3k91 n ARG 79 Ca 0.00 0.00 -0.34 0.00 -1.00 0.00 0.00 57.85 56.51 3k91 n ARG 79 Cb 0.00 -0.25 -0.03 0.00 -1.05 0.00 0.00 32.46 31.13 3k91 n ARG 79 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 3k91 s HIS 80 N -0.49 3.04 0.25 2.89 3.76 -1.26 -4.95 115.29 118.52 3k91 s HIS 80 Ca 0.10 1.57 -0.04 0.00 -0.15 0.00 0.00 55.06 56.54 3k91 s HIS 80 Cb -0.04 -3.03 0.45 0.00 1.11 0.00 0.00 32.58 31.08 3k91 s HIS 80 CO 0.20 -0.79 1.75 0.28 -0.85 0.00 0.00 174.74 175.33 3k91 h VAL 81 N 1.42 0.73 0.00 -0.90 2.07 -1.95 -1.60 116.25 116.02 3k91 h VAL 81 Ca -0.49 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 66.84 3k91 h VAL 81 Cb 1.22 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 3k91 h VAL 81 CO 0.59 0.10 0.00 0.61 0.02 0.00 0.00 177.57 178.89 3k91 n GLY 82 N -1.32 -1.40 3.55 2.17 0.00 -0.15 -4.49 105.19 103.56 3k91 n GLY 82 Ca 0.14 -0.08 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 3k91 n GLY 82 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3k91 s ASP 83 N -3.11 6.21 -0.18 1.61 -1.08 -0.60 -0.65 116.67 118.86 3k91 s ASP 83 Ca 0.12 -0.79 0.10 0.00 -0.52 0.00 0.00 52.55 51.46 3k91 s ASP 83 Cb 0.16 -2.56 0.59 0.00 -1.46 0.00 0.00 42.92 39.65 3k91 s ASP 83 CO 0.47 -1.77 1.43 0.18 0.52 0.00 0.00 175.17 176.00 3k91 n LEU 84 N 9.51 4.56 0.00 -1.34 4.77 -0.47 -4.86 117.00 129.17 3k91 n LEU 84 Ca 0.16 -2.32 0.00 0.00 -0.03 0.00 0.00 56.01 53.82 3k91 n LEU 84 Cb 0.50 -0.65 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 3k91 n LEU 84 CO 0.69 0.55 0.00 0.61 -1.33 0.00 0.00 177.39 177.91 3k91 n GLY 85 N 0.37 1.65 3.35 -0.72 0.00 -1.19 -4.73 105.19 103.92 3k91 n GLY 85 Ca 0.22 -0.55 -0.24 0.00 0.00 0.00 0.00 46.02 45.45 3k91 n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3k91 s ASN 86 N -4.00 2.88 0.26 1.61 0.01 -1.26 -0.71 114.94 113.73 3k91 s ASN 86 Ca 0.00 -0.80 0.07 0.00 -0.71 0.00 0.00 52.86 51.42 3k91 s ASN 86 Cb 0.00 -0.18 -0.04 0.00 0.41 0.00 0.00 41.25 41.44 3k91 s ASN 86 CO 0.00 0.05 0.20 0.68 -1.51 0.00 0.00 177.10 176.52 3k91 s VAL 87 N -1.62 4.33 -0.18 1.60 -7.23 -0.40 -4.89 120.40 112.01 3k91 s VAL 87 Ca 0.14 -1.41 0.01 0.00 -1.81 0.00 0.00 61.98 58.90 3k91 s VAL 87 Cb -0.08 -3.37 0.04 0.00 0.56 0.00 0.00 36.38 33.53 3k91 s VAL 87 CO 0.07 -0.33 -0.11 -0.89 -0.31 0.00 0.00 175.10 173.52 3k91 s THR 88 N -2.16 1.62 0.16 5.32 2.01 -1.26 -1.36 115.64 119.97 3k91 s THR 88 Ca 0.34 -0.89 -0.23 0.00 0.31 0.00 0.00 61.69 61.22 3k91 s THR 88 Cb -0.08 -1.64 -0.08 0.00 0.01 0.00 0.00 72.50 70.72 3k91 s THR 88 CO 0.25 0.26 0.73 0.00 -0.69 0.00 0.00 174.62 175.16 3k91 s ALA 89 N 1.43 3.47 0.65 7.40 0.00 -0.06 -4.13 121.76 130.52 3k91 s ALA 89 Ca 0.01 0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.23 3k91 s ALA 89 Cb -0.15 -2.87 0.00 0.00 0.00 0.00 0.00 23.12 20.10 3k91 s ALA 89 CO -0.09 0.32 0.00 -0.40 0.00 0.00 0.00 175.76 175.59 3k91 n ASP 90 N 1.48 0.00 0.26 0.00 5.68 -0.25 -1.12 116.55 122.59 3k91 n ASP 90 Ca -0.06 -0.93 0.12 0.00 -0.50 0.00 0.00 54.79 53.42 3k91 n ASP 90 Cb 0.49 0.00 0.68 0.00 -1.14 0.00 0.00 41.12 41.16 3k91 n ASP 90 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 3k91 h LYS 91 N 0.00 0.00 0.00 0.11 3.64 -1.97 -0.98 116.57 117.36 3k91 h LYS 91 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3k91 h LYS 91 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3k91 h LYS 91 CO 0.00 0.14 -0.02 -0.25 -2.27 0.00 0.00 179.45 177.05 3k91 n ASP 92 N -3.58 0.16 0.00 4.20 8.00 -1.26 -4.86 116.55 119.21 3k91 n ASP 92 Ca -0.01 0.49 0.00 0.00 0.71 0.00 0.00 54.79 55.97 3k91 n ASP 92 Cb 0.27 -0.52 0.00 0.00 -0.02 0.00 0.00 41.12 40.85 3k91 n ASP 92 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3k91 n GLY 93 N 1.47 0.71 3.53 0.44 0.00 -0.37 -4.75 105.19 106.22 3k91 n GLY 93 Ca 0.07 -0.44 -0.34 0.00 0.00 0.00 0.00 46.02 45.31 3k91 n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k91 s VAL 94 N -2.00 4.10 -0.27 1.61 1.01 -1.26 -1.91 120.40 121.68 3k91 s VAL 94 Ca 0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 61.98 61.69 3k91 s VAL 94 Cb 0.00 -2.81 0.04 0.00 0.00 0.00 0.00 36.38 33.61 3k91 s VAL 94 CO 0.00 0.49 -0.05 0.00 0.00 0.00 0.00 175.10 175.54 3k91 s ALA 95 N 0.34 2.71 -0.01 5.51 0.00 0.20 -1.10 121.76 129.41 3k91 s ALA 95 Ca -0.02 -1.60 -0.22 0.00 0.00 0.00 0.00 51.96 50.12 3k91 s ALA 95 Cb -0.14 -1.74 -0.05 0.00 0.00 0.00 0.00 23.12 21.19 3k91 s ALA 95 CO 0.02 -1.02 0.64 -0.51 0.00 0.00 0.00 175.76 174.90 3k91 s ASP 96 N 1.26 7.01 -0.12 0.00 -0.00 -1.26 -0.57 116.67 123.00 3k91 s ASP 96 Ca -0.03 1.21 -0.00 0.00 -0.00 0.00 0.00 52.55 53.73 3k91 s ASP 96 Cb -0.18 -2.39 -0.02 0.00 -0.00 0.00 0.00 42.92 40.33 3k91 s ASP 96 CO -0.04 0.05 -0.12 -0.69 -0.00 0.00 0.00 175.17 174.37 3k91 s VAL 97 N 0.01 3.12 -0.29 -1.27 1.01 0.70 -4.73 120.40 118.95 3k91 s VAL 97 Ca 0.33 -0.64 0.02 0.00 0.00 0.00 0.00 61.98 61.69 3k91 s VAL 97 Cb -0.18 -2.31 0.16 0.00 0.00 0.00 0.00 36.38 34.05 3k91 s VAL 97 CO 0.18 0.53 0.41 -0.55 0.00 0.00 0.00 175.10 175.67 3k91 s SER 98 N 0.22 0.40 0.08 3.32 0.15 -1.24 -1.55 113.70 115.09 3k91 s SER 98 Ca -0.08 -0.42 0.05 0.00 0.70 0.00 0.00 55.95 56.20 3k91 s SER 98 Cb -0.15 1.09 -0.03 0.00 -1.71 0.00 0.00 66.02 65.22 3k91 s SER 98 CO 0.05 -0.35 -0.14 -0.63 1.20 0.00 0.00 173.24 173.37 3k91 s ILE 99 N 2.51 1.13 -0.12 6.45 1.01 0.13 -4.99 121.20 127.32 3k91 s ILE 99 Ca 0.10 -1.42 0.01 0.00 0.00 0.00 0.00 60.65 59.33 3k91 s ILE 99 Cb -0.12 -1.19 -0.02 0.00 0.01 0.00 0.00 42.46 41.14 3k91 s ILE 99 CO -0.30 -0.30 -0.14 -0.70 0.00 0.00 0.00 174.94 173.51 3k91 s GLU 100 N -2.03 3.26 -0.06 2.79 2.12 -1.26 -0.09 118.70 123.43 3k91 s GLU 100 Ca 0.01 -0.70 0.00 0.00 0.36 0.00 0.00 54.97 54.64 3k91 s GLU 100 Cb -0.08 -2.58 0.02 0.00 0.26 0.00 0.00 34.13 31.75 3k91 s GLU 100 CO 0.02 0.27 -0.04 0.34 -0.54 0.00 0.00 175.26 175.30 3k91 s ASP 101 N 0.21 1.37 -0.09 -1.70 2.15 -0.17 -4.96 116.67 113.47 3k91 s ASP 101 Ca -0.09 -0.15 0.16 0.00 0.43 0.00 0.00 52.55 52.90 3k91 s ASP 101 Cb -0.15 -0.53 0.56 0.00 -0.30 0.00 0.00 42.92 42.49 3k91 s ASP 101 CO 0.05 -0.10 1.47 -1.20 -0.17 0.00 0.00 175.17 175.23 3k91 n SER 102 N 4.46 4.01 -0.10 -0.34 7.64 -1.26 -0.10 113.62 127.92 3k91 n SER 102 Ca -0.18 -2.43 -0.21 0.00 1.01 0.00 0.00 58.87 57.06 3k91 n SER 102 Cb 0.51 -0.47 -0.08 0.00 -1.01 0.00 0.00 64.21 63.16 3k91 n SER 102 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3k91 n VAL 103 N 0.60 1.15 -1.05 0.44 0.31 -1.26 -4.91 118.33 113.61 3k91 n VAL 103 Ca 0.21 -0.32 -0.30 0.00 -0.01 0.00 0.00 64.34 63.92 3k91 n VAL 103 Cb 0.75 -1.67 0.16 0.00 -0.91 0.00 0.00 33.84 32.16 3k91 n VAL 103 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 3k91 s ILE 104 N -2.39 2.50 0.18 2.52 -4.36 -1.26 -4.85 121.20 113.55 3k91 s ILE 104 Ca -0.29 0.16 -0.21 0.00 -0.26 0.00 0.00 60.65 60.06 3k91 s ILE 104 Cb 0.10 -2.53 0.05 0.00 1.25 0.00 0.00 42.46 41.34 3k91 s ILE 104 CO 0.39 -0.21 0.58 -0.55 0.24 0.00 0.00 174.94 175.39 3k91 s SER 105 N -3.20 -0.42 -0.05 4.36 0.15 -0.96 -4.66 113.70 108.91 3k91 s SER 105 Ca 0.64 -0.22 0.20 0.00 0.70 0.00 0.00 55.95 57.28 3k91 s SER 105 Cb -0.20 0.60 0.67 0.00 -1.71 0.00 0.00 66.02 65.38 3k91 s SER 105 CO 0.58 -1.03 1.57 0.18 1.20 0.00 0.00 173.24 175.74 3k91 n LEU 106 N -0.37 4.27 -3.90 3.45 4.77 -1.26 -1.38 117.00 122.58 3k91 n LEU 106 Ca -0.14 -2.19 -0.08 0.00 -0.03 0.00 0.00 56.01 53.57 3k91 n LEU 106 Cb 0.63 -0.52 -0.03 0.00 -2.33 0.00 0.00 43.42 41.18 3k91 n LEU 106 CO 0.14 0.91 0.38 -0.94 -1.33 0.00 0.00 177.39 176.55 3k91 s SER 107 N -0.97 -0.20 0.33 -1.43 1.04 -1.26 -4.55 113.70 106.65 3k91 s SER 107 Ca 0.49 -0.72 0.00 0.00 0.48 0.00 0.00 55.95 56.20 3k91 s SER 107 Cb 0.28 0.69 0.00 0.00 0.10 0.00 0.00 66.02 67.09 3k91 s SER 107 CO 0.29 -1.29 0.00 0.61 0.98 0.00 0.00 173.24 173.83 3k91 n GLY 108 N -0.44 -1.17 0.30 7.32 0.00 -1.26 -3.17 105.19 106.77 3k91 n GLY 108 Ca -0.03 -1.21 0.14 0.00 0.00 0.00 0.00 46.02 44.91 3k91 n GLY 108 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3k91 h ASP 109 N 0.00 0.00 -0.58 1.61 3.32 -2.00 -0.94 116.42 117.82 3k91 h ASP 109 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3k91 h ASP 109 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3k91 h ASP 109 CO 0.00 0.00 0.00 1.41 -1.72 0.00 0.00 179.24 178.93 3k91 n HIS 110 N -4.11 1.49 -1.78 4.55 8.25 -1.26 -4.93 115.22 117.44 3k91 n HIS 110 Ca -0.01 -0.65 -0.42 0.00 -0.26 0.00 0.00 57.72 56.38 3k91 n HIS 110 Cb 0.18 -0.29 -0.02 0.00 1.12 0.00 0.00 29.99 30.98 3k91 n HIS 110 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3k91 n ILE 112 N 2.85 0.00 -1.86 0.00 -5.35 -0.48 -4.92 119.36 109.60 3k91 n ILE 112 Ca 0.11 -0.45 -0.42 0.00 -0.27 0.00 0.00 62.75 61.72 3k91 n ILE 112 Cb 0.37 1.23 -0.02 0.00 -1.74 0.00 0.00 39.64 39.48 3k91 n ILE 112 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3k91 s ILE 113 N -1.28 2.33 0.00 7.28 1.01 -1.26 -1.99 121.20 127.29 3k91 s ILE 113 Ca 0.14 0.26 0.00 0.00 0.00 0.00 0.00 60.65 61.05 3k91 s ILE 113 Cb 0.11 -3.17 0.00 0.00 0.01 0.00 0.00 42.46 39.41 3k91 s ILE 113 CO 0.22 0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.80 3k91 n GLY 114 N 2.93 0.89 4.01 6.18 0.00 0.08 -5.00 105.19 114.27 3k91 n GLY 114 Ca 0.11 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.92 3k91 n GLY 114 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k91 s ARG 115 N -0.15 2.33 -0.16 1.61 0.52 -0.84 -2.17 118.95 120.09 3k91 s ARG 115 Ca 0.00 -1.68 -0.05 0.00 -0.52 0.00 0.00 55.73 53.48 3k91 s ARG 115 Cb 0.00 -2.57 -0.04 0.00 0.52 0.00 0.00 34.95 32.87 3k91 s ARG 115 CO 0.00 -0.79 0.02 0.99 0.02 0.00 0.00 175.30 175.54 3k91 s THR 116 N -2.67 4.44 -0.04 0.02 2.01 -1.14 -0.71 115.64 117.57 3k91 s THR 116 Ca 0.57 -0.17 -0.13 0.00 0.31 0.00 0.00 61.69 62.27 3k91 s THR 116 Cb -0.05 -2.96 -0.05 0.00 0.01 0.00 0.00 72.50 69.44 3k91 s THR 116 CO 0.36 0.50 0.36 -0.22 -0.69 0.00 0.00 174.62 174.93 3k91 s LEU 117 N 0.13 4.44 0.02 4.42 2.96 -0.29 0.68 118.68 131.03 3k91 s LEU 117 Ca 0.03 0.85 0.01 0.00 -0.22 0.00 0.00 54.13 54.79 3k91 s LEU 117 Cb -0.13 -2.49 -0.02 0.00 0.50 0.00 0.00 46.19 44.06 3k91 s LEU 117 CO 0.01 0.31 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.62 3k91 s VAL 118 N -0.90 0.32 -0.07 1.68 1.01 0.05 -1.83 120.40 120.67 3k91 s VAL 118 Ca 0.22 -0.73 0.05 0.00 0.00 0.00 0.00 61.98 61.51 3k91 s VAL 118 Cb -0.16 -0.38 -0.00 0.00 0.00 0.00 0.00 36.38 35.84 3k91 s VAL 118 CO 0.11 -0.28 -0.22 0.54 0.00 0.00 0.00 175.10 175.25 3k91 s VAL 119 N -0.99 1.89 0.31 2.92 0.11 -0.73 -1.85 120.40 122.06 3k91 s VAL 119 Ca -0.08 -0.95 0.06 0.00 -2.93 0.00 0.00 61.98 58.07 3k91 s VAL 119 Cb -0.07 -1.62 -0.01 0.00 -1.53 0.00 0.00 36.38 33.15 3k91 s VAL 119 CO -0.00 0.52 0.45 -1.00 -3.33 0.00 0.00 175.10 171.74 3k91 s HIS 120 N 0.10 3.22 0.17 1.54 3.76 0.66 -1.16 115.29 123.58 3k91 s HIS 120 Ca -0.10 -0.13 -0.14 0.00 -0.15 0.00 0.00 55.06 54.54 3k91 s HIS 120 Cb -0.15 -1.89 0.06 0.00 1.11 0.00 0.00 32.58 31.72 3k91 s HIS 120 CO 0.05 0.10 1.79 1.49 -0.85 0.00 0.00 174.74 177.32 3k91 h GLU 121 N 0.94 0.75 -5.17 1.40 4.81 -1.01 -3.36 114.58 112.94 3k91 h GLU 121 Ca -0.48 -0.08 -0.61 0.00 -0.13 0.00 0.00 59.36 58.07 3k91 h GLU 121 Cb 1.25 -0.15 -0.13 0.00 0.63 0.00 0.00 28.75 30.34 3k91 h GLU 121 CO 0.55 0.56 -0.53 0.15 -0.73 0.00 0.00 179.01 179.01 3k91 s LYS 122 N -5.92 2.02 0.72 1.92 1.02 -0.02 -4.86 119.74 114.62 3k91 s LYS 122 Ca -0.13 -2.24 -0.14 0.00 0.02 0.00 0.00 55.97 53.48 3k91 s LYS 122 Cb 0.12 -1.10 0.03 0.00 -0.52 0.00 0.00 37.83 36.37 3k91 s LYS 122 CO 0.76 -0.37 1.14 0.00 -0.92 0.00 0.00 175.35 175.96 3k91 s ALA 123 N -3.04 2.24 -0.76 5.17 0.00 -1.21 -0.84 121.76 123.33 3k91 s ALA 123 Ca 0.18 0.62 -0.24 0.00 0.00 0.00 0.00 51.96 52.52 3k91 s ALA 123 Cb 0.03 -3.37 -0.16 0.00 0.00 0.00 0.00 23.12 19.62 3k91 s ALA 123 CO 0.10 -1.66 2.42 -3.47 0.00 0.00 0.00 175.76 173.16 3k91 n ASP 124 N -2.80 1.19 0.00 0.00 2.03 -1.26 -4.07 116.55 111.64 3k91 n ASP 124 Ca 0.11 -0.73 0.00 0.00 0.52 0.00 0.00 54.79 54.70 3k91 n ASP 124 Cb 0.52 -1.33 0.00 0.00 -0.72 0.00 0.00 41.12 39.59 3k91 n ASP 124 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 3k91 n ASN 139 N 14.27 0.00 0.00 1.67 5.03 -1.26 -5.03 115.26 129.94 3k91 n ASN 139 Ca 0.50 0.00 0.14 0.00 0.87 0.00 0.00 54.58 56.10 3k91 n ASN 139 Cb 0.36 -1.61 0.73 0.00 -1.02 0.00 0.00 39.78 38.24 3k91 n ASN 139 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3k91 n ALA 140 N 0.96 2.43 -0.38 5.41 0.00 -1.26 -4.78 120.51 122.90 3k91 n ALA 140 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.30 3k91 n ALA 140 Cb 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 17.98 3k91 n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k91 n GLY 141 N 1.21 -0.30 3.83 0.00 0.00 -1.26 -0.84 105.19 107.84 3k91 n GLY 141 Ca 0.13 -1.05 -0.31 0.00 0.00 0.00 0.00 46.02 44.80 3k91 n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3k91 s SER 142 N -4.00 5.35 -0.46 1.61 1.04 -1.26 -4.66 113.70 111.32 3k91 s SER 142 Ca 0.00 1.48 -0.23 0.00 0.48 0.00 0.00 55.95 57.68 3k91 s SER 142 Cb 0.00 -2.35 0.03 0.00 0.10 0.00 0.00 66.02 63.79 3k91 s SER 142 CO 0.00 -1.44 0.80 -0.13 0.98 0.00 0.00 173.24 173.45 3k91 s ARG 143 N -5.12 3.41 0.14 4.02 0.52 -1.26 -1.18 118.95 119.48 3k91 s ARG 143 Ca 0.58 -0.11 -0.05 0.00 -0.52 0.00 0.00 55.73 55.64 3k91 s ARG 143 Cb -0.13 -3.95 -0.05 0.00 0.52 0.00 0.00 34.95 31.34 3k91 s ARG 143 CO 0.54 -1.14 1.35 -0.07 0.02 0.00 0.00 175.30 176.00 3k91 h LEU 144 N 10.20 0.58 -7.13 2.53 3.38 -1.44 -3.47 115.31 119.95 3k91 h LEU 144 Ca -0.25 -0.42 -0.05 0.00 0.09 0.00 0.00 57.88 57.25 3k91 h LEU 144 Cb 1.08 -0.17 -0.16 0.00 0.09 0.00 0.00 40.66 41.50 3k91 h LEU 144 CO 0.97 1.20 0.10 0.00 0.09 0.00 0.00 178.44 180.79 3k91 s ALA 145 N -3.47 -1.46 0.19 1.53 0.00 -1.21 -4.16 121.76 113.18 3k91 s ALA 145 Ca -0.06 0.71 -0.21 0.00 0.00 0.00 0.00 51.96 52.39 3k91 s ALA 145 Cb 0.09 0.41 0.05 0.00 0.00 0.00 0.00 23.12 23.67 3k91 s ALA 145 CO 0.86 -0.53 0.60 0.00 0.00 0.00 0.00 175.76 176.69 3k91 s GLY 147 N -2.82 -0.47 0.03 0.00 0.00 -0.76 -1.80 107.32 101.50 3k91 s GLY 147 Ca 0.05 0.27 -0.26 0.00 0.00 0.00 0.00 44.72 44.78 3k91 s GLY 147 CO -0.07 0.06 0.82 0.14 0.00 0.00 0.00 173.10 174.06 3k91 s VAL 148 N -3.79 4.76 -0.25 1.40 1.01 -1.26 -1.14 120.40 121.12 3k91 s VAL 148 Ca 0.03 1.73 -0.29 0.00 0.00 0.00 0.00 61.98 63.46 3k91 s VAL 148 Cb -0.02 -4.17 0.00 0.00 0.00 0.00 0.00 36.38 32.20 3k91 s VAL 148 CO -0.09 0.31 1.15 -0.63 0.00 0.00 0.00 175.10 175.84 3k91 s ILE 149 N 0.23 4.45 0.24 2.22 1.01 0.11 -4.53 121.20 124.94 3k91 s ILE 149 Ca 0.42 1.71 0.09 0.00 0.00 0.00 0.00 60.65 62.87 3k91 s ILE 149 Cb -0.21 -4.24 -0.04 0.00 0.01 0.00 0.00 42.46 37.98 3k91 s ILE 149 CO 0.24 -0.30 0.00 -0.83 0.00 0.00 0.00 174.94 174.05 3k91 s GLY 150 N 1.77 1.65 0.14 6.18 0.00 0.19 -0.74 107.32 116.52 3k91 s GLY 150 Ca 0.49 -1.58 -0.31 0.00 0.00 0.00 0.00 44.72 43.33 3k91 s GLY 150 CO 0.13 -1.63 1.33 -0.42 0.00 0.00 0.00 173.10 172.52 3k91 s ILE 151 N -2.16 3.37 -0.05 0.90 1.01 -1.26 -0.83 121.20 122.18 3k91 s ILE 151 Ca 0.30 1.03 0.05 0.00 0.00 0.00 0.00 60.65 62.04 3k91 s ILE 151 Cb -0.07 -3.66 -0.08 0.00 0.01 0.00 0.00 42.46 38.66 3k91 s ILE 151 CO 0.20 0.11 0.04 0.00 0.00 0.00 0.00 174.94 175.29 3k91 n ALA 152 N 3.44 1.93 -1.91 9.38 0.00 -0.12 -4.80 120.51 128.43 3k91 n ALA 152 Ca 0.09 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.20 3k91 n ALA 152 Cb 0.43 0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.95 3k91 n ALA 152 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44