#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2v49 n VAL 3 N 0.00 0.00 0.92 5.15 0.31 -1.26 -4.66 118.33 118.79 2v49 n VAL 3 Ca 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.37 2v49 n VAL 3 Cb 0.00 -0.23 0.13 0.00 -0.91 0.00 0.00 33.84 32.82 2v49 n VAL 3 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 2v49 n LYS 4 N -2.00 1.83 -1.75 5.55 2.85 -1.26 -4.95 118.16 118.44 2v49 n LYS 4 Ca 0.00 -1.00 -0.39 0.00 -1.05 0.00 0.00 58.31 55.87 2v49 n LYS 4 Cb 0.00 -1.37 0.04 0.00 -0.65 0.00 0.00 35.03 33.06 2v49 n LYS 4 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 2v49 n MET 5 N 0.26 1.75 0.00 -1.58 2.81 -1.26 -5.01 117.12 114.09 2v49 n MET 5 Ca 0.09 0.64 0.00 0.00 -1.81 0.00 0.00 57.70 56.62 2v49 n MET 5 Cb 0.33 -2.60 0.00 0.00 -0.71 0.00 0.00 33.22 30.24 2v49 n MET 5 CO 0.00 0.00 0.00 -2.39 1.51 0.00 0.00 175.97 175.09 2v49 n HIS 6 N -0.99 0.00 0.00 2.03 1.44 -1.26 -5.14 115.22 111.31 2v49 n HIS 6 Ca 0.10 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.81 2v49 n HIS 6 Cb 0.44 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.55 2v49 n HIS 6 CO 0.00 0.00 0.00 1.33 -2.81 0.00 0.00 176.34 174.86 2v49 n VAL 7 N 0.00 0.00 -0.23 0.61 0.24 -1.26 -5.06 118.33 112.63 2v49 n VAL 7 Ca 0.00 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 62.11 2v49 n VAL 7 Cb 0.00 0.00 0.19 0.00 -1.47 0.00 0.00 33.84 32.56 2v49 n VAL 7 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2v49 n LYS 8 N 0.00 -3.19 0.00 7.34 4.01 -1.26 -5.11 118.16 119.95 2v49 n LYS 8 Ca 0.00 -0.92 0.00 0.00 -0.51 0.00 0.00 58.31 56.88 2v49 n LYS 8 Cb 0.00 -1.33 0.00 0.00 -0.51 0.00 0.00 35.03 33.19 2v49 n LYS 8 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65 2v49 n LYS 9 N -3.72 0.00 -1.77 1.97 2.85 -1.26 -5.01 118.16 111.22 2v49 n LYS 9 Ca 0.09 0.00 -0.20 0.00 -1.05 0.00 0.00 58.31 57.14 2v49 n LYS 9 Cb 0.38 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.70 2v49 n LYS 9 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 2v49 s GLY 10 N 0.00 -0.38 0.00 2.58 0.00 -1.26 -4.38 107.32 103.88 2v49 s GLY 10 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 44.72 43.68 2v49 s GLY 10 CO 0.00 3.91 0.00 2.09 0.00 0.00 0.00 173.10 179.10 2v49 n ASP 11 N 16.53 0.14 -4.67 1.64 5.68 -1.26 -4.94 116.55 129.68 2v49 n ASP 11 Ca 0.43 0.00 -0.42 0.00 -0.50 0.00 0.00 54.79 54.30 2v49 n ASP 11 Cb 0.45 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.41 2v49 n ASP 11 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2v49 s THR 12 N -0.75 4.76 0.15 2.12 2.01 -1.26 -2.18 115.64 120.48 2v49 s THR 12 Ca 0.00 1.91 0.05 0.00 0.31 0.00 0.00 61.69 63.96 2v49 s THR 12 Cb 0.00 -4.26 -0.04 0.00 0.01 0.00 0.00 72.50 68.21 2v49 s THR 12 CO 0.00 -0.09 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.04 2v49 s VAL 13 N 2.68 1.22 0.27 3.82 1.01 -0.49 -4.52 120.40 124.39 2v49 s VAL 13 Ca 0.43 -2.00 0.07 0.00 0.00 0.00 0.00 61.98 60.48 2v49 s VAL 13 Cb -0.16 -1.79 -0.06 0.00 0.00 0.00 0.00 36.38 34.37 2v49 s VAL 13 CO 0.10 -0.68 -0.08 -0.22 0.00 0.00 0.00 175.10 174.22 2v49 s LEU 14 N -3.05 2.51 0.00 3.92 2.96 0.40 -0.27 118.68 125.16 2v49 s LEU 14 Ca 0.15 -1.15 0.01 0.00 -0.22 0.00 0.00 54.13 52.93 2v49 s LEU 14 Cb 0.01 -0.68 0.01 0.00 0.50 0.00 0.00 46.19 46.03 2v49 s LEU 14 CO 0.01 -0.29 0.11 0.52 -1.32 0.00 0.00 176.35 175.39 2v49 n VAL 15 N -0.56 0.00 0.00 1.68 0.31 -1.03 0.25 118.33 118.98 2v49 n VAL 15 Ca -0.06 -0.54 0.00 0.00 -0.01 0.00 0.00 64.34 63.73 2v49 n VAL 15 Cb 0.63 -0.43 0.00 0.00 -0.91 0.00 0.00 33.84 33.13 2v49 n VAL 15 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2v49 n ALA 16 N -2.72 0.00 -1.24 3.52 0.00 0.04 -3.83 120.51 116.27 2v49 n ALA 16 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2v49 n ALA 16 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.61 2v49 n ALA 16 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2v49 n SER 17 N 0.00 0.00 0.00 0.00 3.41 -1.26 -4.82 113.62 110.95 2v49 n SER 17 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2v49 n SER 17 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2v49 n SER 17 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2v49 n GLY 18 N 5.00 0.73 0.00 5.00 0.00 -1.26 -4.10 105.19 110.56 2v49 n GLY 18 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2v49 n GLY 18 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2v49 n LYS 19 N 0.00 0.00 -0.21 1.61 4.81 -1.26 0.49 118.16 123.61 2v49 n LYS 19 Ca 0.00 0.11 0.00 0.00 -0.87 0.00 0.00 58.31 57.55 2v49 n LYS 19 Cb 0.00 -1.54 0.00 0.00 0.02 0.00 0.00 35.03 33.51 2v49 n LYS 19 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2v49 n TYR 20 N -1.00 0.00 -1.44 5.64 4.02 -1.26 -4.97 117.16 118.15 2v49 n TYR 20 Ca 0.00 0.00 -0.47 0.00 -0.01 0.00 0.00 57.90 57.42 2v49 n TYR 20 Cb 0.04 -0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 39.25 2v49 n TYR 20 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 2v49 n LYS 21 N 0.00 0.37 -0.47 -0.72 3.00 0.18 -4.05 118.16 116.47 2v49 n LYS 21 Ca 0.00 0.06 0.00 0.00 -0.00 0.00 0.00 58.31 58.37 2v49 n LYS 21 Cb 0.58 -1.98 0.00 0.00 0.00 0.00 0.00 35.03 33.63 2v49 n LYS 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2v49 n GLY 22 N 6.68 -2.76 0.00 3.14 0.00 -1.25 -4.78 105.19 106.22 2v49 n GLY 22 Ca 0.54 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.74 2v49 n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2v49 n ARG 23 N 0.49 0.00 -3.23 1.61 1.74 -1.26 -4.86 116.66 111.16 2v49 n ARG 23 Ca 0.00 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.69 2v49 n ARG 23 Cb 0.00 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.38 2v49 n ARG 23 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2v49 s VAL 24 N -1.96 4.98 0.01 1.55 1.01 -1.26 -2.47 120.40 122.27 2v49 s VAL 24 Ca 0.00 1.19 0.02 0.00 0.00 0.00 0.00 61.98 63.19 2v49 s VAL 24 Cb 0.00 -3.91 -0.01 0.00 0.00 0.00 0.00 36.38 32.46 2v49 s VAL 24 CO 0.00 0.39 -0.08 -0.83 0.00 0.00 0.00 175.10 174.59 2v49 s GLY 25 N 0.00 0.43 0.00 4.51 0.00 0.63 -4.95 107.32 107.94 2v49 s GLY 25 Ca 0.30 -0.48 0.00 0.00 0.00 0.00 0.00 44.72 44.54 2v49 s GLY 25 CO 0.16 -0.47 0.00 1.17 0.00 0.00 0.00 173.10 173.96 2v49 n LYS 26 N 2.39 0.58 -1.65 2.90 4.81 -1.26 -1.40 118.16 124.53 2v49 n LYS 26 Ca -0.16 0.00 -0.40 0.00 -0.87 0.00 0.00 58.31 56.88 2v49 n LYS 26 Cb 0.56 0.00 0.02 0.00 0.02 0.00 0.00 35.03 35.64 2v49 n LYS 26 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2v49 n VAL 27 N -1.00 2.90 -0.49 3.15 0.31 -0.93 -4.23 118.33 118.04 2v49 n VAL 27 Ca 0.00 -0.50 0.09 0.00 -0.01 0.00 0.00 64.34 63.92 2v49 n VAL 27 Cb 0.00 -1.31 0.30 0.00 -0.91 0.00 0.00 33.84 31.92 2v49 n VAL 27 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 2v49 n LYS 28 N -0.27 3.21 -2.85 5.55 -0.00 -1.26 -3.89 118.16 118.65 2v49 n LYS 28 Ca 0.10 -2.66 -0.17 0.00 -0.00 0.00 0.00 58.31 55.57 2v49 n LYS 28 Cb 0.42 -1.67 0.02 0.00 -0.00 0.00 0.00 35.03 33.79 2v49 n LYS 28 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2v49 n GLU 29 N 1.06 -0.93 -1.43 -1.58 4.71 -1.26 -1.37 120.64 119.85 2v49 n GLU 29 Ca 0.22 0.89 -0.42 0.00 -0.01 0.00 0.00 57.16 57.85 2v49 n GLU 29 Cb 0.72 -1.22 0.00 0.00 -1.01 0.00 0.00 31.44 29.94 2v49 n GLU 29 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 2v49 n VAL 30 N 0.44 1.60 0.00 2.62 0.31 -1.26 -4.42 118.33 117.62 2v49 n VAL 30 Ca -0.04 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.79 2v49 n VAL 30 Cb 0.48 -0.43 0.00 0.00 -0.91 0.00 0.00 33.84 32.98 2v49 n VAL 30 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 2v49 n LEU 31 N 1.49 0.18 -0.02 7.52 -0.00 0.54 -4.95 117.00 121.77 2v49 n LEU 31 Ca 0.12 0.21 0.06 0.00 -0.00 0.00 0.00 56.01 56.40 2v49 n LEU 31 Cb 0.39 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.73 2v49 n LEU 31 CO 0.55 0.00 -0.02 -0.81 -0.00 0.00 0.00 177.39 177.11 2v49 n PRO 32 N -0.24 2.55 0.00 1.96 -0.04 -1.26 -4.88 135.00 133.09 2v49 n PRO 32 Ca 0.00 -0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 2v49 n PRO 32 Cb 0.00 -1.13 0.00 0.00 -0.04 0.00 0.00 33.50 32.33 2v49 n PRO 32 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2v49 n LYS 33 N -1.26 0.00 0.28 0.54 4.81 -1.26 0.39 118.16 121.66 2v49 n LYS 33 Ca 0.03 0.87 0.19 0.00 -0.87 0.00 0.00 58.31 58.52 2v49 n LYS 33 Cb 0.21 -1.40 0.90 0.00 0.02 0.00 0.00 35.03 34.77 2v49 n LYS 33 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 2v49 h LYS 34 N 0.00 0.00 -1.87 1.64 1.57 -2.00 -3.46 116.57 112.45 2v49 h LYS 34 Ca 0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 2v49 h LYS 34 Cb 0.00 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.32 2v49 h LYS 34 CO 0.00 0.00 -0.06 0.98 -0.57 0.00 0.00 179.45 179.80 2v49 n TYR 35 N -2.90 -0.21 -4.58 -1.35 9.36 0.16 -5.01 117.16 112.63 2v49 n TYR 35 Ca -0.01 0.08 -0.27 0.00 3.32 0.00 0.00 57.90 61.02 2v49 n TYR 35 Cb 0.16 -1.81 -0.07 0.00 -0.63 0.00 0.00 39.34 36.99 2v49 n TYR 35 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2v49 n ALA 36 N -1.97 0.51 -2.00 2.98 0.00 -1.26 -2.51 120.51 116.26 2v49 n ALA 36 Ca -0.01 -2.11 0.00 0.00 0.00 0.00 0.00 53.44 51.32 2v49 n ALA 36 Cb 0.51 1.32 0.00 0.00 0.00 0.00 0.00 19.45 21.28 2v49 n ALA 36 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2v49 n VAL 37 N -1.03 0.00 0.00 0.00 0.24 0.69 -0.34 118.33 117.89 2v49 n VAL 37 Ca -0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.19 2v49 n VAL 37 Cb 0.61 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.98 2v49 n VAL 37 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 2v49 n ILE 38 N 0.00 0.00 0.00 1.34 5.41 0.72 -4.29 119.36 122.55 2v49 n ILE 38 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 2v49 n ILE 38 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 2v49 n ILE 38 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 2v49 n VAL 39 N 0.00 0.00 -1.31 1.39 0.31 -1.20 -3.75 118.33 113.77 2v49 n VAL 39 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2v49 n VAL 39 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2v49 n VAL 39 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2v49 n GLU 40 N 1.59 0.00 0.00 5.55 -0.58 -1.26 -4.48 120.64 121.46 2v49 n GLU 40 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2v49 n GLU 40 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 2v49 n GLU 40 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2v49 n GLY 41 N 0.00 1.40 3.68 0.62 0.00 -1.25 -4.92 105.19 104.72 2v49 n GLY 41 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 2v49 n GLY 41 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2v49 n VAL 42 N 0.00 0.10 -1.72 1.61 0.31 -1.26 -4.87 118.33 112.50 2v49 n VAL 42 Ca 0.00 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 2v49 n VAL 42 Cb 0.00 -1.66 0.00 0.00 -0.91 0.00 0.00 33.84 31.27 2v49 n VAL 42 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2v49 n ASN 43 N 4.02 0.00 -0.65 4.52 4.13 -1.26 0.13 115.26 126.15 2v49 n ASN 43 Ca 0.18 -1.60 -0.06 0.00 1.68 0.00 0.00 54.58 54.77 2v49 n ASN 43 Cb 0.30 -0.12 0.01 0.00 -1.54 0.00 0.00 39.78 38.42 2v49 n ASN 43 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 2v49 n ILE 44 N 0.00 0.00 -5.02 2.41 5.41 -1.26 -3.96 119.36 116.94 2v49 n ILE 44 Ca 0.00 -0.08 -0.32 0.00 1.00 0.00 0.00 62.75 63.35 2v49 n ILE 44 Cb 0.62 0.00 -0.15 0.00 -0.71 0.00 0.00 39.64 39.40 2v49 n ILE 44 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 2v49 s VAL 45 N -0.32 2.61 0.00 1.39 1.01 -1.26 -4.37 120.40 119.46 2v49 s VAL 45 Ca 0.07 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.20 2v49 s VAL 45 Cb -0.04 -2.02 0.00 0.00 0.00 0.00 0.00 36.38 34.32 2v49 s VAL 45 CO 0.13 0.56 0.00 2.29 0.00 0.00 0.00 175.10 178.08 2v49 n LYS 46 N 3.06 2.81 -2.90 2.72 2.85 -1.26 -5.09 118.16 120.36 2v49 n LYS 46 Ca -0.18 0.00 -0.24 0.00 -1.05 0.00 0.00 58.31 56.84 2v49 n LYS 46 Cb 0.52 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.88 2v49 n LYS 46 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2v49 n LYS 47 N -0.12 2.74 -1.65 -1.58 4.01 -1.26 -4.83 118.16 115.46 2v49 n LYS 47 Ca 0.00 -4.44 -0.49 0.00 -0.51 0.00 0.00 58.31 52.86 2v49 n LYS 47 Cb 0.00 -2.09 -0.05 0.00 -0.51 0.00 0.00 35.03 32.38 2v49 n LYS 47 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2v49 n ALA 48 N -0.18 0.39 0.00 7.82 0.00 -1.16 -4.85 120.51 122.53 2v49 n ALA 48 Ca 0.30 0.44 0.00 0.00 0.00 0.00 0.00 53.44 54.18 2v49 n ALA 48 Cb 0.51 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.69 2v49 n ALA 48 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2v49 n VAL 49 N 3.51 0.00 0.00 0.00 0.31 -1.26 -3.21 118.33 117.68 2v49 n VAL 49 Ca 0.19 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.52 2v49 n VAL 49 Cb 0.24 -0.44 0.00 0.00 -0.91 0.00 0.00 33.84 32.73 2v49 n VAL 49 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2v49 n ARG 50 N -1.21 0.00 -0.10 5.55 1.74 -1.26 -3.92 116.66 117.46 2v49 n ARG 50 Ca 0.00 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.98 2v49 n ARG 50 Cb 0.23 0.00 0.04 0.00 -1.02 0.00 0.00 32.46 31.71 2v49 n ARG 50 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2v49 h VAL 51 N 0.00 1.28 -1.42 1.55 2.07 -2.03 -3.37 116.25 114.33 2v49 h VAL 51 Ca 0.00 -1.46 -0.45 0.00 0.82 0.00 0.00 66.70 65.61 2v49 h VAL 51 Cb 0.00 1.30 -0.31 0.00 -1.52 0.00 0.00 31.29 30.76 2v49 h VAL 51 CO 0.00 0.49 -0.91 -1.54 0.02 0.00 0.00 177.57 175.63 2v49 n SER 52 N -4.08 -0.84 -4.56 0.57 3.41 -1.26 -5.11 113.62 101.75 2v49 n SER 52 Ca -0.01 -2.86 -0.20 0.00 -0.26 0.00 0.00 58.87 55.54 2v49 n SER 52 Cb 0.49 0.14 -0.06 0.00 -0.26 0.00 0.00 64.21 64.52 2v49 n SER 52 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 2v49 n PRO 53 N 1.59 0.70 -2.19 4.33 -0.02 -1.26 -4.98 135.00 133.16 2v49 n PRO 53 Ca 0.18 -0.60 -0.36 0.00 -2.02 0.00 0.00 63.50 60.71 2v49 n PRO 53 Cb 0.56 -3.60 0.01 0.00 -0.02 0.00 0.00 33.50 30.44 2v49 n PRO 53 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2v49 s LYS 54 N 8.73 3.38 0.14 -0.52 2.20 -1.26 -4.50 119.74 127.91 2v49 s LYS 54 Ca 0.95 1.72 0.00 0.00 -0.36 0.00 0.00 55.97 58.28 2v49 s LYS 54 Cb -0.15 -2.10 0.00 0.00 -1.51 0.00 0.00 37.83 34.07 2v49 s LYS 54 CO 0.14 -0.85 0.00 2.48 -0.36 0.00 0.00 175.35 176.76 2v49 n TYR 55 N -1.14 -2.34 0.00 4.03 0.18 -1.26 -4.87 117.16 111.76 2v49 n TYR 55 Ca 0.11 1.32 0.00 0.00 1.88 0.00 0.00 57.90 61.21 2v49 n TYR 55 Cb 0.50 -2.00 0.00 0.00 -0.38 0.00 0.00 39.34 37.46 2v49 n TYR 55 CO 0.00 0.00 0.00 -2.30 -2.08 0.00 0.00 176.86 172.48 2v49 n PRO 56 N 1.16 0.00 -1.45 -3.48 -0.02 -1.26 -4.72 135.00 125.23 2v49 n PRO 56 Ca 0.00 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.19 2v49 n PRO 56 Cb 0.00 0.00 0.16 0.00 -0.02 0.00 0.00 33.50 33.64 2v49 n PRO 56 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2v49 s GLN 57 N 0.00 0.62 0.00 -0.52 -0.21 -1.26 -4.85 119.66 113.44 2v49 s GLN 57 Ca 0.00 0.20 0.00 0.00 0.02 0.00 0.00 55.36 55.58 2v49 s GLN 57 Cb 0.00 -1.79 0.00 0.00 1.00 0.00 0.00 33.01 32.22 2v49 s GLN 57 CO 0.00 -2.53 0.00 0.41 -2.12 0.00 0.00 175.29 171.05 2v49 n GLY 58 N -1.99 -0.13 3.52 3.09 0.00 -1.25 -5.02 105.19 103.40 2v49 n GLY 58 Ca 0.08 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.95 2v49 n GLY 58 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2v49 s GLY 59 N -1.27 -0.50 0.00 -0.02 0.00 -1.20 -5.02 107.32 99.31 2v49 s GLY 59 Ca 0.00 1.50 0.00 0.00 0.00 0.00 0.00 44.72 46.22 2v49 s GLY 59 CO 0.00 1.21 0.00 0.33 0.00 0.00 0.00 173.10 174.64 2v49 n PHE 60 N 1.86 0.00 0.25 1.90 -0.00 -1.26 -2.96 117.46 117.25 2v49 n PHE 60 Ca -0.17 0.00 0.13 0.00 -0.00 0.00 0.00 57.45 57.41 2v49 n PHE 60 Cb 0.56 0.00 0.57 0.00 -0.00 0.00 0.00 39.48 40.61 2v49 n PHE 60 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.76 177.58 2v49 h ILE 61 N 0.00 0.34 -1.53 -2.13 2.04 -1.97 -3.44 117.51 110.82 2v49 h ILE 61 Ca 0.00 -0.84 0.19 0.00 1.00 0.00 0.00 64.86 65.20 2v49 h ILE 61 Cb 0.03 1.64 -0.05 0.00 -0.74 0.00 0.00 36.82 37.70 2v49 h ILE 61 CO 0.00 0.13 -0.25 -0.62 0.00 0.00 0.00 178.15 177.41 2v49 n GLU 62 N -3.30 -1.38 -3.06 2.37 4.71 -1.26 -4.84 120.64 113.89 2v49 n GLU 62 Ca 0.00 0.91 -0.09 0.00 -0.01 0.00 0.00 57.16 57.97 2v49 n GLU 62 Cb 0.37 -1.68 -0.04 0.00 -1.01 0.00 0.00 31.44 29.08 2v49 n GLU 62 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2v49 n LYS 63 N -2.54 0.22 -0.91 3.49 5.02 -1.25 -5.08 118.16 117.11 2v49 n LYS 63 Ca 0.00 -1.61 -0.37 0.00 -2.02 0.00 0.00 58.31 54.31 2v49 n LYS 63 Cb 0.31 1.35 0.07 0.00 -0.02 0.00 0.00 35.03 36.75 2v49 n LYS 63 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2v49 n GLU 64 N -0.31 -0.46 -3.71 1.97 4.71 -1.26 -4.23 120.64 117.35 2v49 n GLU 64 Ca 0.03 -0.13 -0.28 0.00 -0.01 0.00 0.00 57.16 56.77 2v49 n GLU 64 Cb 0.30 -1.19 -0.16 0.00 -1.01 0.00 0.00 31.44 29.37 2v49 n GLU 64 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2v49 s ALA 65 N -2.06 0.97 0.00 0.62 0.00 0.34 -4.70 121.76 116.93 2v49 s ALA 65 Ca 0.41 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.58 2v49 s ALA 65 Cb 0.05 -1.23 0.00 0.00 0.00 0.00 0.00 23.12 21.94 2v49 s ALA 65 CO 0.66 -1.27 0.00 -2.30 0.00 0.00 0.00 175.76 172.85 2v49 n PRO 66 N 5.07 0.00 -2.07 0.00 -0.02 -1.26 -4.62 135.00 132.09 2v49 n PRO 66 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.40 2v49 n PRO 66 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.94 2v49 n PRO 66 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2v49 n LEU 67 N -0.36 -5.45 -4.44 2.45 7.94 -1.26 -0.20 117.00 115.69 2v49 n LEU 67 Ca 0.00 3.08 -0.35 0.00 -1.11 0.00 0.00 56.01 57.62 2v49 n LEU 67 Cb 0.00 -3.02 0.08 0.00 0.53 0.00 0.00 43.42 41.01 2v49 n LEU 67 CO 0.00 -1.73 -0.02 1.57 -1.11 0.00 0.00 177.39 176.10 2v49 n HIS 68 N 1.93 -1.10 -1.99 1.96 -0.00 -1.26 0.25 115.22 115.00 2v49 n HIS 68 Ca 0.00 0.31 -0.36 0.00 -0.00 0.00 0.00 57.72 57.67 2v49 n HIS 68 Cb 0.00 -1.87 0.03 0.00 -0.00 0.00 0.00 29.99 28.15 2v49 n HIS 68 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2v49 n ALA 69 N -2.66 6.12 0.00 1.57 0.00 -1.04 -4.08 120.51 120.43 2v49 n ALA 69 Ca 0.09 -4.09 0.00 0.00 0.00 0.00 0.00 53.44 49.43 2v49 n ALA 69 Cb 0.51 -1.58 0.00 0.00 0.00 0.00 0.00 19.45 18.37 2v49 n ALA 69 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2v49 n SER 70 N -0.57 2.28 -0.45 0.00 2.88 -1.26 -4.69 113.62 111.81 2v49 n SER 70 Ca 0.51 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 58.16 2v49 n SER 70 Cb 0.40 0.31 0.44 0.00 -0.75 0.00 0.00 64.21 64.61 2v49 n SER 70 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2v49 n LYS 71 N -1.00 1.59 -3.74 -1.46 5.02 -1.26 -4.87 118.16 112.44 2v49 n LYS 71 Ca 0.00 -0.89 -0.32 0.00 -2.02 0.00 0.00 58.31 55.09 2v49 n LYS 71 Cb 0.14 -1.40 -0.05 0.00 -0.02 0.00 0.00 35.03 33.71 2v49 n LYS 71 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2v49 s VAL 72 N -1.86 5.23 0.05 -0.18 -7.23 -1.26 -0.78 120.40 114.37 2v49 s VAL 72 Ca 0.33 -0.06 0.04 0.00 -1.81 0.00 0.00 61.98 60.48 2v49 s VAL 72 Cb 0.17 -3.62 -0.02 0.00 0.56 0.00 0.00 36.38 33.47 2v49 s VAL 72 CO 0.27 0.09 -0.12 -0.13 -0.31 0.00 0.00 175.10 174.90 2v49 s ARG 73 N -2.54 0.79 0.00 4.82 0.52 0.14 -4.90 118.95 117.79 2v49 s ARG 73 Ca 0.38 -0.77 0.00 0.00 -0.52 0.00 0.00 55.73 54.82 2v49 s ARG 73 Cb -0.12 -0.76 0.00 0.00 0.52 0.00 0.00 34.95 34.59 2v49 s ARG 73 CO 0.25 0.18 0.00 -0.35 0.02 0.00 0.00 175.30 175.40 2v49 n PRO 74 N 1.72 0.00 0.00 3.54 -0.04 -1.26 0.15 135.00 139.11 2v49 n PRO 74 Ca -0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 2v49 n PRO 74 Cb 0.55 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.01 2v49 n PRO 74 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 2v49 n ILE 75 N 0.00 0.00 -2.05 0.52 0.00 -0.83 -3.54 119.36 113.46 2v49 n ILE 75 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62.75 62.75 2v49 n ILE 75 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39.64 39.64 2v49 n ILE 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2v49 n PRO 77 N 0.00 0.04 0.00 0.00 -0.02 -1.26 -4.23 135.00 129.53 2v49 n PRO 77 Ca 0.00 -1.16 0.00 0.00 -2.02 0.00 0.00 63.50 60.32 2v49 n PRO 77 Cb 0.00 -2.91 0.00 0.00 -0.02 0.00 0.00 33.50 30.57 2v49 n PRO 77 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2v49 n ALA 78 N 13.11 0.00 -3.45 3.55 0.00 -1.26 -5.10 120.51 127.36 2v49 n ALA 78 Ca 0.38 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.71 2v49 n ALA 78 Cb 0.44 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.89 2v49 n ALA 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2v49 h GLY 80 N 0.19 -1.19 -2.52 0.00 0.00 -1.89 -3.22 103.07 94.44 2v49 h GLY 80 Ca -0.13 0.56 0.00 0.00 0.00 0.00 0.00 47.33 47.76 2v49 h GLY 80 CO 0.19 -0.40 -0.61 1.17 0.00 0.00 0.00 176.54 176.89 2v49 n LYS 81 N -3.35 -3.13 -0.72 4.80 4.81 -1.26 -1.97 118.16 117.34 2v49 n LYS 81 Ca -0.03 2.31 -0.33 0.00 -0.87 0.00 0.00 58.31 59.40 2v49 n LYS 81 Cb 0.13 -2.59 0.15 0.00 0.02 0.00 0.00 35.03 32.74 2v49 n LYS 81 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 2v49 n PRO 82 N -0.65 -1.25 -4.13 1.64 -0.02 -1.26 -4.68 135.00 124.66 2v49 n PRO 82 Ca 0.00 -0.34 -0.24 0.00 -2.02 0.00 0.00 63.50 60.90 2v49 n PRO 82 Cb 0.00 -1.69 -0.07 0.00 -0.02 0.00 0.00 33.50 31.72 2v49 n PRO 82 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2v49 s THR 83 N -2.25 2.67 0.00 3.45 2.01 -1.26 -2.66 115.64 117.60 2v49 s THR 83 Ca 0.55 -1.73 0.00 0.00 0.31 0.00 0.00 61.69 60.82 2v49 s THR 83 Cb -0.13 -2.95 0.00 0.00 0.01 0.00 0.00 72.50 69.43 2v49 s THR 83 CO 0.67 -0.11 0.00 0.54 -0.69 0.00 0.00 174.62 175.03 2v49 n ARG 84 N -1.16 0.00 -3.64 4.92 1.74 -1.21 -4.89 116.66 112.42 2v49 n ARG 84 Ca -0.02 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.95 2v49 n ARG 84 Cb 0.63 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 32.02 2v49 n ARG 84 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2v49 s VAL 85 N -2.90 0.07 0.00 1.55 1.01 -1.26 -2.86 120.40 116.00 2v49 s VAL 85 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.41 2v49 s VAL 85 Cb 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 36.38 35.24 2v49 s VAL 85 CO 0.00 -0.32 0.00 -1.14 0.00 0.00 0.00 175.10 173.64 2v49 n ARG 86 N -0.10 0.00 0.00 2.72 0.63 -1.23 -4.91 116.66 113.76 2v49 n ARG 86 Ca -0.16 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.77 2v49 n ARG 86 Cb 0.63 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.54 2v49 n ARG 86 CO 0.00 0.00 0.00 0.36 -2.51 0.00 0.00 177.63 175.48 2v49 n LYS 87 N 0.00 0.00 -0.73 -0.14 2.85 -1.25 -4.78 118.16 114.11 2v49 n LYS 87 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 2v49 n LYS 87 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 2v49 n LYS 87 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2v49 n LYS 88 N -1.76 -0.04 -2.07 -1.58 4.01 -1.26 0.90 118.16 116.36 2v49 n LYS 88 Ca 0.00 0.01 -0.00 0.00 -0.51 0.00 0.00 58.31 57.81 2v49 n LYS 88 Cb 0.00 -3.65 0.00 0.00 -0.51 0.00 0.00 35.03 30.87 2v49 n LYS 88 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 2v49 n PHE 89 N -2.02 -0.00 0.00 2.13 7.35 -1.26 -4.69 117.46 118.97 2v49 n PHE 89 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 2v49 n PHE 89 Cb 0.01 -1.00 0.00 0.00 0.35 0.00 0.00 39.48 38.84 2v49 n PHE 89 CO 0.00 0.00 0.00 1.47 -0.76 0.00 0.00 176.76 177.47 2v49 n LEU 90 N -0.07 0.00 0.00 -2.13 -0.00 -0.96 -5.16 117.00 108.69 2v49 n LEU 90 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2v49 n LEU 90 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.92 2v49 n LEU 90 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 177.39 176.77 2v49 n GLU 91 N 0.00 3.52 -3.42 1.47 -0.58 0.26 -5.11 120.64 116.78 2v49 n GLU 91 Ca 0.00 0.00 0.01 0.00 -0.42 0.00 0.00 57.16 56.75 2v49 n GLU 91 Cb 0.00 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 30.83 2v49 n GLU 91 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 2v49 s ASN 92 N 1.00 -0.66 -0.14 1.62 -0.87 -1.23 -3.97 114.94 110.68 2v49 s ASN 92 Ca 0.00 0.87 -0.07 0.00 -1.57 0.00 0.00 52.86 52.10 2v49 s ASN 92 Cb 0.00 1.74 0.06 0.00 -0.02 0.00 0.00 41.25 43.03 2v49 s ASN 92 CO 0.00 -0.13 0.33 -0.83 -2.57 0.00 0.00 177.10 173.90 2v49 s GLY 93 N 2.53 -0.23 0.71 0.66 0.00 -1.26 -4.95 107.32 104.78 2v49 s GLY 93 Ca -0.02 1.24 -0.16 0.00 0.00 0.00 0.00 44.72 45.77 2v49 s GLY 93 CO -0.18 1.67 0.53 0.58 0.00 0.00 0.00 173.10 175.70 2v49 n LYS 94 N 4.58 0.32 -3.59 2.90 2.85 -1.25 -3.58 118.16 120.39 2v49 n LYS 94 Ca -0.19 0.15 -0.11 0.00 -1.05 0.00 0.00 58.31 57.10 2v49 n LYS 94 Cb 0.53 -1.81 -0.11 0.00 -0.65 0.00 0.00 35.03 32.99 2v49 n LYS 94 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 2v49 s LYS 95 N -2.68 0.25 0.93 -1.58 1.02 -1.14 -3.40 119.74 113.14 2v49 s LYS 95 Ca 0.66 0.77 -0.15 0.00 0.02 0.00 0.00 55.97 57.27 2v49 s LYS 95 Cb -0.36 -0.08 0.06 0.00 -0.52 0.00 0.00 37.83 36.93 2v49 s LYS 95 CO 0.58 -0.37 -0.16 0.44 -0.92 0.00 0.00 175.35 174.92 2v49 n ILE 96 N 5.37 0.00 -2.41 2.17 -5.35 -1.23 -3.32 119.36 114.58 2v49 n ILE 96 Ca -0.06 -0.07 -0.41 0.00 -0.27 0.00 0.00 62.75 61.94 2v49 n ILE 96 Cb 0.50 -0.32 -0.03 0.00 -1.74 0.00 0.00 39.64 38.05 2v49 n ILE 96 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2v49 s ARG 97 N -2.90 3.17 -0.70 6.28 1.70 -1.09 -3.51 118.95 121.91 2v49 s ARG 97 Ca 0.33 0.22 -0.01 0.00 -0.47 0.00 0.00 55.73 55.79 2v49 s ARG 97 Cb -0.03 -4.18 -0.01 0.00 -0.57 0.00 0.00 34.95 30.16 2v49 s ARG 97 CO 0.39 -2.12 0.59 0.28 -1.08 0.00 0.00 175.30 173.36 2v49 n VAL 98 N 6.73 -4.35 0.00 4.99 0.31 -1.26 -4.98 118.33 119.77 2v49 n VAL 98 Ca 0.10 -0.46 0.00 0.00 -0.01 0.00 0.00 64.34 63.97 2v49 n VAL 98 Cb 0.50 -4.36 0.00 0.00 -0.91 0.00 0.00 33.84 29.06 2v49 n VAL 98 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2v49 s ALA 100 N -1.00 -2.32 0.00 0.00 0.00 -1.26 -4.81 121.76 112.36 2v49 s ALA 100 Ca 0.00 1.35 0.00 0.00 0.00 0.00 0.00 51.96 53.31 2v49 s ALA 100 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.10 2v49 s ALA 100 CO 0.00 -0.82 0.00 1.17 0.00 0.00 0.00 175.76 176.11 2v49 n LYS 101 N -0.28 0.00 0.00 0.00 4.81 -1.22 -4.02 118.16 117.45 2v49 n LYS 101 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.41 2v49 n LYS 101 Cb 0.60 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.65 2v49 n LYS 101 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57