#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2feb n GLU 2 N 0.00 -2.07 0.00 0.38 2.13 -0.99 -4.89 120.64 115.20 2feb n GLU 2 Ca 0.00 1.55 0.00 0.00 0.66 0.00 0.00 57.16 59.37 2feb n GLU 2 Cb 0.00 -2.47 0.00 0.00 0.27 0.00 0.00 31.44 29.24 2feb n GLU 2 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2feb n GLY 3 N -3.69 3.55 1.40 8.31 0.00 -1.26 -3.96 105.19 109.54 2feb n GLY 3 Ca -0.03 -0.63 0.18 0.00 0.00 0.00 0.00 46.02 45.54 2feb n GLY 3 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2feb n ARG 4 N 0.00 -2.98 0.00 1.61 5.12 -1.26 -2.17 116.66 116.98 2feb n ARG 4 Ca 0.00 2.18 0.00 0.00 -1.93 0.00 0.00 57.85 58.10 2feb n ARG 4 Cb 0.00 -3.57 0.00 0.00 -1.16 0.00 0.00 32.46 27.73 2feb n ARG 4 CO 0.00 0.00 0.00 -2.39 -1.93 0.00 0.00 177.63 173.31 2feb n HIS 5 N -4.23 0.00 -1.25 -1.55 1.44 -1.26 -2.97 115.22 105.40 2feb n HIS 5 Ca -0.03 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.68 2feb n HIS 5 Cb 0.65 0.26 0.00 0.00 0.12 0.00 0.00 29.99 31.01 2feb n HIS 5 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2feb n MET 6 N -2.26 0.00 -0.54 -1.40 0.00 -1.26 -4.70 117.12 106.96 2feb n MET 6 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 57.70 57.41 2feb n MET 6 Cb 0.09 0.00 0.23 0.00 0.00 0.00 0.00 33.22 33.54 2feb n MET 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2feb n ALA 7 N 0.31 -2.51 -2.16 3.17 0.00 -1.26 -4.91 120.51 113.16 2feb n ALA 7 Ca 0.00 -1.03 -0.42 0.00 0.00 0.00 0.00 53.44 51.98 2feb n ALA 7 Cb 0.00 -2.01 -0.03 0.00 0.00 0.00 0.00 19.45 17.41 2feb n ALA 7 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2feb s PRO 8 N -4.37 4.28 -0.04 0.00 0.04 -1.26 -4.89 135.00 128.75 2feb s PRO 8 Ca 0.67 2.06 0.18 0.00 0.04 0.00 0.00 61.00 63.95 2feb s PRO 8 Cb -0.24 -3.48 0.33 0.00 0.04 0.00 0.00 34.50 31.14 2feb s PRO 8 CO 0.64 -0.56 1.14 0.25 0.04 0.00 0.00 177.00 178.50 2feb n THR 9 N 4.47 0.14 -2.92 1.26 -2.24 -1.26 -5.07 114.28 108.65 2feb n THR 9 Ca 0.13 -0.95 0.00 0.00 -2.27 0.00 0.00 64.05 60.96 2feb n THR 9 Cb 0.43 0.91 0.00 0.00 -2.10 0.00 0.00 70.33 69.56 2feb n THR 9 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2feb n GLU 10 N 0.16 0.00 -0.88 -0.78 4.07 -1.26 -4.92 120.64 117.02 2feb n GLU 10 Ca -0.04 0.00 -0.32 0.00 -0.06 0.00 0.00 57.16 56.75 2feb n GLU 10 Cb 0.98 0.00 -0.04 0.00 -0.06 0.00 0.00 31.44 32.33 2feb n GLU 10 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 2feb n ASN 11 N 0.00 3.31 0.00 4.31 5.15 -1.26 -4.80 115.26 121.97 2feb n ASN 11 Ca 0.00 -2.48 0.00 0.00 -0.60 0.00 0.00 54.58 51.50 2feb n ASN 11 Cb 0.00 -1.04 0.00 0.00 -0.53 0.00 0.00 39.78 38.21 2feb n ASN 11 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 2feb n SER 12 N 6.00 0.00 -4.56 1.20 3.41 -1.26 -4.40 113.62 114.01 2feb n SER 12 Ca 0.44 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.65 2feb n SER 12 Cb 0.26 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.18 2feb n SER 12 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2feb s THR 13 N 0.00 3.56 0.00 6.66 -4.23 -1.26 -4.65 115.64 115.72 2feb s THR 13 Ca 0.00 0.38 0.00 0.00 -1.18 0.00 0.00 61.69 60.89 2feb s THR 13 Cb 0.00 -4.30 0.00 0.00 1.34 0.00 0.00 72.50 69.54 2feb s THR 13 CO 0.00 -1.20 0.00 0.61 -0.54 0.00 0.00 174.62 173.49 2feb n GLY 14 N 5.50 2.83 2.68 3.99 0.00 -1.26 -4.76 105.19 114.17 2feb n GLY 14 Ca 0.14 -0.68 -0.06 0.00 0.00 0.00 0.00 46.02 45.42 2feb n GLY 14 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2feb n VAL 15 N 0.00 0.00 -2.37 1.61 3.14 -1.26 -4.31 118.33 115.13 2feb n VAL 15 Ca 0.00 -1.17 -0.19 0.00 -2.96 0.00 0.00 64.34 60.01 2feb n VAL 15 Cb 0.00 0.86 0.02 0.00 -1.06 0.00 0.00 33.84 33.66 2feb n VAL 15 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2feb n GLN 16 N -0.52 2.96 -3.54 1.45 -0.00 -1.26 -4.35 117.38 112.11 2feb n GLN 16 Ca -0.12 -4.06 -0.01 0.00 -0.00 0.00 0.00 57.00 52.81 2feb n GLN 16 Cb 0.77 -2.04 -0.05 0.00 -0.00 0.00 0.00 30.24 28.92 2feb n GLN 16 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.06 177.22 2feb s ASP 17 N -3.55 -0.73 0.20 2.61 1.47 -1.16 -4.33 116.67 111.19 2feb s ASP 17 Ca 0.43 1.05 0.05 0.00 1.18 0.00 0.00 52.55 55.27 2feb s ASP 17 Cb 0.40 1.67 -0.04 0.00 -0.34 0.00 0.00 42.92 44.61 2feb s ASP 17 CO -0.05 -0.15 0.22 0.00 0.68 0.00 0.00 175.17 175.87 2feb n TYR 19 N -0.86 -1.61 -3.82 0.00 0.18 0.58 -2.36 117.16 109.28 2feb n TYR 19 Ca -0.08 -1.59 -0.12 0.00 1.88 0.00 0.00 57.90 57.99 2feb n TYR 19 Cb 0.56 -0.35 -0.10 0.00 -0.38 0.00 0.00 39.34 39.07 2feb n TYR 19 CO 0.00 0.00 0.00 1.03 -2.08 0.00 0.00 176.86 175.81 2feb s ARG 20 N -3.73 0.45 6.06 -3.48 0.52 -1.26 -4.15 118.95 113.36 2feb s ARG 20 Ca 0.32 -0.11 0.00 0.00 -0.52 0.00 0.00 55.73 55.42 2feb s ARG 20 Cb -0.03 0.20 0.00 0.00 0.52 0.00 0.00 34.95 35.64 2feb s ARG 20 CO 0.20 -0.10 0.00 0.41 0.02 0.00 0.00 175.30 175.83 2feb n GLY 21 N 1.94 3.45 3.13 -3.53 0.00 -1.26 -3.55 105.19 105.37 2feb n GLY 21 Ca -0.19 0.24 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 2feb n GLY 21 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2feb s ASP 22 N -4.00 5.58 0.60 1.61 -4.77 -1.26 -4.91 116.67 109.53 2feb s ASP 22 Ca 0.00 -2.99 0.28 0.00 -3.30 0.00 0.00 52.55 46.54 2feb s ASP 22 Cb 0.00 -1.92 1.39 0.00 -1.09 0.00 0.00 42.92 41.31 2feb s ASP 22 CO 0.00 -0.37 1.80 1.23 0.70 0.00 0.00 175.17 178.53 2feb h GLY 23 N 6.96 0.00 -0.35 2.12 0.00 -1.60 -3.40 103.07 106.79 2feb h GLY 23 Ca 0.03 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.22 2feb h GLY 23 CO 0.74 0.00 0.09 0.61 0.00 0.00 0.00 176.54 177.98 2feb n GLN 24 N -3.50 -0.04 0.00 4.80 10.64 0.35 -4.08 117.38 125.55 2feb n GLN 24 Ca 0.09 -0.77 0.00 0.00 -1.83 0.00 0.00 57.00 54.49 2feb n GLN 24 Cb 0.75 -0.34 0.00 0.00 -0.86 0.00 0.00 30.24 29.80 2feb n GLN 24 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 2feb n SER 25 N -3.13 0.00 -3.98 2.61 7.64 -1.08 -4.38 113.62 111.30 2feb n SER 25 Ca 0.05 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.63 2feb n SER 25 Cb 0.19 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.23 2feb n SER 25 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 2feb s TYR 26 N 0.00 2.35 0.00 1.43 5.04 -1.26 -4.74 117.35 120.17 2feb s TYR 26 Ca 0.00 -1.56 0.00 0.00 -2.44 0.00 0.00 57.07 53.07 2feb s TYR 26 Cb 0.00 -1.60 0.00 0.00 0.35 0.00 0.00 41.96 40.71 2feb s TYR 26 CO 0.00 -0.73 0.00 0.54 -1.34 0.00 0.00 175.55 174.02 2feb n ARG 27 N 4.70 0.00 -3.44 4.97 5.12 -1.26 -4.82 116.66 121.93 2feb n ARG 27 Ca -0.14 0.00 -0.26 0.00 -1.93 0.00 0.00 57.85 55.52 2feb n ARG 27 Cb 0.46 0.00 -0.09 0.00 -1.16 0.00 0.00 32.46 31.67 2feb n ARG 27 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2feb n GLY 28 N 0.00 3.44 0.07 -0.13 0.00 -1.26 -4.48 105.19 102.83 2feb n GLY 28 Ca 0.00 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 43.99 2feb n GLY 28 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2feb n THR 29 N 1.70 0.24 -0.09 2.61 -2.24 -1.26 -4.83 114.28 110.41 2feb n THR 29 Ca 0.25 -0.25 -0.22 0.00 -2.27 0.00 0.00 64.05 61.55 2feb n THR 29 Cb 0.45 0.80 -0.12 0.00 -2.10 0.00 0.00 70.33 69.36 2feb n THR 29 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2feb n LEU 30 N -0.14 1.97 -0.79 3.22 4.77 -1.26 -4.97 117.00 119.80 2feb n LEU 30 Ca 0.01 0.39 -0.10 0.00 -0.03 0.00 0.00 56.01 56.27 2feb n LEU 30 Cb 0.49 -0.97 -0.04 0.00 -2.33 0.00 0.00 43.42 40.56 2feb n LEU 30 CO 0.00 0.38 -0.10 -0.24 -1.33 0.00 0.00 177.39 176.10 2feb n SER 31 N -4.30 -4.92 0.00 -1.43 2.88 -1.26 -4.86 113.62 99.74 2feb n SER 31 Ca -0.34 0.26 0.00 0.00 -1.33 0.00 0.00 58.87 57.45 2feb n SER 31 Cb 0.75 -3.33 0.00 0.00 -0.75 0.00 0.00 64.21 60.88 2feb n SER 31 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2feb n THR 32 N -2.48 0.00 0.00 2.46 -1.04 -1.26 -4.03 114.28 107.93 2feb n THR 32 Ca -0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.91 2feb n THR 32 Cb 0.45 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.96 2feb n THR 32 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 2feb n THR 33 N 0.00 0.00 0.00 12.58 -2.24 0.86 -3.38 114.28 122.09 2feb n THR 33 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2feb n THR 33 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 2feb n THR 33 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2feb n ILE 34 N -0.34 0.00 -2.37 2.28 0.13 -1.14 0.13 119.36 118.06 2feb n ILE 34 Ca 0.00 0.00 -0.21 0.00 -1.10 0.00 0.00 62.75 61.44 2feb n ILE 34 Cb 0.00 -0.00 0.02 0.00 -0.84 0.00 0.00 39.64 38.81 2feb n ILE 34 CO 0.00 0.00 0.00 0.41 2.80 0.00 0.00 176.55 179.76 2feb n THR 35 N -1.51 2.15 0.00 9.51 -1.04 -1.26 -4.79 114.28 117.34 2feb n THR 35 Ca 0.00 -4.23 0.00 0.00 -2.04 0.00 0.00 64.05 57.78 2feb n THR 35 Cb 0.00 -0.71 0.00 0.00 -1.82 0.00 0.00 70.33 67.80 2feb n THR 35 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2feb n GLY 36 N -0.53 2.85 3.66 3.41 0.00 -1.26 -5.03 105.19 108.29 2feb n GLY 36 Ca 0.34 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.01 2feb n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2feb n ARG 37 N -0.10 0.48 -2.09 1.61 5.12 -1.26 -4.69 116.66 115.73 2feb n ARG 37 Ca 0.00 0.23 -0.14 0.00 -1.93 0.00 0.00 57.85 56.01 2feb n ARG 37 Cb 0.00 -2.35 0.06 0.00 -1.16 0.00 0.00 32.46 29.01 2feb n ARG 37 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 2feb n THR 38 N -2.71 0.00 0.58 0.55 -2.24 -1.26 -0.10 114.28 109.09 2feb n THR 38 Ca 0.14 -1.14 0.12 0.00 -2.27 0.00 0.00 64.05 60.89 2feb n THR 38 Cb 0.50 -0.87 0.11 0.00 -2.10 0.00 0.00 70.33 67.97 2feb n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2feb n GLN 40 N -2.04 -2.50 -0.99 0.00 1.13 -1.26 -1.29 117.38 110.43 2feb n GLN 40 Ca 0.03 2.08 -0.35 0.00 -1.94 0.00 0.00 57.00 56.82 2feb n GLN 40 Cb 0.44 -2.64 0.08 0.00 0.11 0.00 0.00 30.24 28.23 2feb n GLN 40 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 2feb n SER 41 N 0.89 -3.24 -0.98 1.08 7.64 -1.26 -4.72 113.62 113.02 2feb n SER 41 Ca -0.03 0.36 0.04 0.00 1.01 0.00 0.00 58.87 60.25 2feb n SER 41 Cb 0.05 -1.05 0.18 0.00 -1.01 0.00 0.00 64.21 62.39 2feb n SER 41 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 2feb n TRP 42 N -2.86 0.81 -1.00 1.43 7.02 -1.06 -3.57 117.44 118.21 2feb n TRP 42 Ca 0.05 -0.31 0.00 0.00 -1.02 0.00 0.00 57.50 56.22 2feb n TRP 42 Cb 0.53 -0.19 0.00 0.00 -2.42 0.00 0.00 31.31 29.23 2feb n TRP 42 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 2feb n SER 43 N 0.39 0.00 -4.40 -0.99 2.88 -1.26 -4.50 113.62 105.74 2feb n SER 43 Ca 0.13 -1.00 -0.44 0.00 -1.33 0.00 0.00 58.87 56.23 2feb n SER 43 Cb 0.56 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 2feb n SER 43 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2feb n SER 44 N 0.00 5.29 -4.44 -3.46 3.41 -1.23 -4.95 113.62 108.23 2feb n SER 44 Ca 0.00 -3.00 -0.44 0.00 -0.26 0.00 0.00 58.87 55.17 2feb n SER 44 Cb 0.46 -1.53 -0.03 0.00 -0.26 0.00 0.00 64.21 62.85 2feb n SER 44 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 2feb s MET 45 N 0.94 3.52 0.21 4.33 -1.94 -1.26 -4.56 119.30 120.55 2feb s MET 45 Ca 0.41 -1.66 0.00 0.00 -1.71 0.00 0.00 55.69 52.72 2feb s MET 45 Cb -0.03 -4.80 0.00 0.00 2.01 0.00 0.00 34.83 32.01 2feb s MET 45 CO -0.01 -1.76 0.00 0.25 -0.01 0.00 0.00 175.02 173.49 2feb n THR 46 N 5.51 0.00 0.06 2.05 -2.24 -1.26 -4.99 114.28 113.41 2feb n THR 46 Ca 0.19 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.76 2feb n THR 46 Cb 0.48 -0.13 -0.15 0.00 -2.10 0.00 0.00 70.33 68.44 2feb n THR 46 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2feb h PRO 47 N 0.00 0.35 -1.99 -0.78 0.13 -1.96 -3.48 132.00 124.27 2feb h PRO 47 Ca 0.00 -0.59 -0.04 0.00 -0.87 0.00 0.00 66.00 64.50 2feb h PRO 47 Cb 0.00 0.22 -0.21 0.00 0.13 0.00 0.00 31.00 31.14 2feb h PRO 47 CO 0.00 1.28 0.14 -3.38 -0.23 0.00 0.00 178.00 175.81 2feb s HIS 48 N -2.49 -0.77 1.06 1.56 -3.43 -1.26 -4.97 115.29 104.99 2feb s HIS 48 Ca -0.14 1.86 -0.12 0.00 -0.80 0.00 0.00 55.06 55.85 2feb s HIS 48 Cb 0.03 0.28 0.21 0.00 -1.43 0.00 0.00 32.58 31.67 2feb s HIS 48 CO 0.84 -0.39 0.99 0.91 -2.00 0.00 0.00 174.74 175.09 2feb n TRP 49 N 2.55 -0.40 0.00 0.38 7.02 -1.26 -4.77 117.44 120.96 2feb n TRP 49 Ca -0.14 0.11 0.00 0.00 -1.02 0.00 0.00 57.50 56.44 2feb n TRP 49 Cb 0.55 -1.82 0.00 0.00 -2.42 0.00 0.00 31.31 27.62 2feb n TRP 49 CO 0.00 0.00 0.00 -2.39 -2.02 0.00 0.00 177.69 173.28 2feb n HIS 50 N -4.60 0.00 -3.44 -5.99 1.44 -1.26 -5.09 115.22 96.28 2feb n HIS 50 Ca 0.07 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.78 2feb n HIS 50 Cb 0.53 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.64 2feb n HIS 50 CO 0.00 0.00 0.00 2.89 -2.81 0.00 0.00 176.34 176.42 2feb n ARG 51 N -2.49 0.00 -1.53 -1.40 1.85 -1.26 -5.06 116.66 106.76 2feb n ARG 51 Ca 0.00 0.00 -0.15 0.00 -1.00 0.00 0.00 57.85 56.70 2feb n ARG 51 Cb 0.00 0.00 -0.11 0.00 -1.05 0.00 0.00 32.46 31.30 2feb n ARG 51 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2feb n ARG 52 N 0.00 0.37 -0.74 2.89 1.74 -1.26 -4.88 116.66 114.78 2feb n ARG 52 Ca 0.00 -0.65 -0.32 0.00 -0.77 0.00 0.00 57.85 56.10 2feb n ARG 52 Cb 0.00 -2.93 0.14 0.00 -1.02 0.00 0.00 32.46 28.65 2feb n ARG 52 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 2feb n ILE 53 N 7.84 0.00 -0.27 0.55 -5.35 -1.26 -4.63 119.36 116.25 2feb n ILE 53 Ca 0.51 -0.22 -0.12 0.00 -0.27 0.00 0.00 62.75 62.66 2feb n ILE 53 Cb 0.35 -0.65 -0.03 0.00 -1.74 0.00 0.00 39.64 37.58 2feb n ILE 53 CO 0.00 0.00 0.00 -0.81 -1.76 0.00 0.00 176.55 173.98 2feb n PRO 54 N -2.04 0.00 0.00 6.28 -0.04 -1.26 -2.64 135.00 135.29 2feb n PRO 54 Ca 0.05 -0.53 0.00 0.00 -0.04 0.00 0.00 63.50 62.98 2feb n PRO 54 Cb 0.56 -1.93 0.00 0.00 -0.04 0.00 0.00 33.50 32.09 2feb n PRO 54 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2feb n LEU 55 N 5.62 0.00 -0.04 1.53 0.00 -1.26 -4.93 117.00 117.91 2feb n LEU 55 Ca 0.12 0.00 -0.22 0.00 0.00 0.00 0.00 56.01 55.92 2feb n LEU 55 Cb 0.13 0.00 -0.13 0.00 0.00 0.00 0.00 43.42 43.42 2feb n LEU 55 CO 0.60 0.00 -0.84 -1.22 0.00 0.00 0.00 177.39 175.93 2feb n TYR 56 N -1.12 1.00 -2.87 1.96 4.02 -1.08 -4.94 117.16 114.13 2feb n TYR 56 Ca 0.00 0.26 -0.31 0.00 -0.01 0.00 0.00 57.90 57.85 2feb n TYR 56 Cb 0.00 -1.12 -0.04 0.00 -0.02 0.00 0.00 39.34 38.16 2feb n TYR 56 CO 0.00 0.00 0.00 1.52 -1.01 0.00 0.00 176.86 177.37 2feb s TYR 57 N -2.51 3.45 -0.61 -0.72 1.13 -1.26 -4.93 117.35 111.90 2feb s TYR 57 Ca -0.26 1.12 -0.04 0.00 -1.41 0.00 0.00 57.07 56.48 2feb s TYR 57 Cb 0.07 -2.49 -0.04 0.00 -1.10 0.00 0.00 41.96 38.40 2feb s TYR 57 CO 0.69 -0.09 1.78 -0.35 -2.51 0.00 0.00 175.55 175.07 2feb n PRO 58 N -1.13 1.43 -2.67 -3.49 -0.04 -1.26 -4.69 135.00 123.15 2feb n PRO 58 Ca 0.03 -1.13 -0.01 0.00 -0.04 0.00 0.00 63.50 62.35 2feb n PRO 58 Cb 0.54 -2.28 0.00 0.00 -0.04 0.00 0.00 33.50 31.72 2feb n PRO 58 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2feb n ASN 59 N 4.34 -0.09 0.12 3.54 3.02 -1.26 -4.72 115.26 120.22 2feb n ASN 59 Ca 0.31 -0.02 0.15 0.00 -0.03 0.00 0.00 54.58 54.99 2feb n ASN 59 Cb 0.11 -0.03 0.69 0.00 -0.61 0.00 0.00 39.78 39.94 2feb n ASN 59 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2feb h ALA 60 N 1.26 2.22 0.00 5.41 0.00 -2.02 -3.46 119.26 122.68 2feb h ALA 60 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2feb h ALA 60 Cb 0.03 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2feb h ALA 60 CO 0.01 -0.37 0.00 0.41 0.00 0.00 0.00 179.25 179.30 2feb n GLY 61 N -1.57 0.77 3.74 0.00 0.00 -1.26 -5.09 105.19 101.78 2feb n GLY 61 Ca 0.04 -0.72 -0.40 0.00 0.00 0.00 0.00 46.02 44.94 2feb n GLY 61 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2feb s LEU 62 N 0.00 4.52 -1.36 0.99 1.43 -1.26 -4.96 118.68 118.03 2feb s LEU 62 Ca 0.00 1.68 -0.16 0.00 -1.03 0.00 0.00 54.13 54.62 2feb s LEU 62 Cb 0.00 -3.43 0.05 0.00 0.03 0.00 0.00 46.19 42.84 2feb s LEU 62 CO 0.00 0.04 1.96 0.35 0.23 0.00 0.00 176.35 178.93 2feb n THR 63 N 2.40 3.69 0.00 5.49 -2.24 -1.26 -4.87 114.28 117.49 2feb n THR 63 Ca -0.01 -3.58 0.00 0.00 -2.27 0.00 0.00 64.05 58.19 2feb n THR 63 Cb 0.49 -2.46 0.00 0.00 -2.10 0.00 0.00 70.33 66.26 2feb n THR 63 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 2feb n ARG 64 N 7.37 0.00 -2.62 -0.78 1.85 -1.26 -0.12 116.66 121.10 2feb n ARG 64 Ca 0.50 0.00 -0.12 0.00 -1.00 0.00 0.00 57.85 57.24 2feb n ARG 64 Cb 0.43 0.00 0.03 0.00 -1.05 0.00 0.00 32.46 31.87 2feb n ARG 64 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 2feb n ASN 65 N 1.90 2.34 -4.43 2.89 6.94 -1.26 -2.56 115.26 121.08 2feb n ASN 65 Ca 0.00 -2.84 -0.44 0.00 -0.02 0.00 0.00 54.58 51.29 2feb n ASN 65 Cb 0.00 -0.49 -0.04 0.00 -2.36 0.00 0.00 39.78 36.89 2feb n ASN 65 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 2feb s TYR 66 N -3.37 2.83 -0.36 -2.53 1.51 0.82 -4.11 117.35 112.14 2feb s TYR 66 Ca 0.33 -0.79 -0.21 0.00 -1.01 0.00 0.00 57.07 55.39 2feb s TYR 66 Cb 0.42 -4.21 -0.10 0.00 -0.11 0.00 0.00 41.96 37.95 2feb s TYR 66 CO -0.02 -1.52 1.22 0.00 -1.11 0.00 0.00 175.55 174.12 2feb n ARG 68 N 4.10 0.67 -3.86 0.00 1.85 -1.26 -4.25 116.66 113.91 2feb n ARG 68 Ca 0.31 -1.79 -0.12 0.00 -1.00 0.00 0.00 57.85 55.24 2feb n ARG 68 Cb -0.01 1.96 -0.14 0.00 -1.05 0.00 0.00 32.46 33.23 2feb n ARG 68 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2feb s ASN 69 N -2.52 -0.02 0.12 2.89 4.22 -1.26 -3.26 114.94 115.11 2feb s ASN 69 Ca 0.16 0.05 -0.02 0.00 -2.14 0.00 0.00 52.86 50.92 2feb s ASN 69 Cb -0.02 0.05 -0.15 0.00 1.28 0.00 0.00 41.25 42.41 2feb s ASN 69 CO 0.12 -0.02 1.26 1.55 -2.04 0.00 0.00 177.10 177.97 2feb h PRO 70 N 6.17 0.27 0.00 3.55 0.13 -1.93 -3.40 132.00 136.79 2feb h PRO 70 Ca -0.25 -0.36 0.00 0.00 -0.87 0.00 0.00 66.00 64.52 2feb h PRO 70 Cb 1.20 0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.45 2feb h PRO 70 CO 0.49 1.10 0.00 -3.47 -0.23 0.00 0.00 178.00 175.89 2feb n ASP 71 N -3.62 0.00 -3.78 1.44 2.03 -1.26 -4.86 116.55 106.50 2feb n ASP 71 Ca -0.06 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 54.95 2feb n ASP 71 Cb 0.90 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 41.15 2feb n ASP 71 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2feb s ALA 72 N -3.17 1.60 -0.38 -1.67 0.00 -1.26 -2.63 121.76 114.24 2feb s ALA 72 Ca 0.00 -1.55 0.03 0.00 0.00 0.00 0.00 51.96 50.45 2feb s ALA 72 Cb 0.00 -1.56 0.16 0.00 0.00 0.00 0.00 23.12 21.72 2feb s ALA 72 CO 0.00 -1.54 0.37 -2.00 0.00 0.00 0.00 175.76 172.59 2feb s GLU 73 N 1.58 0.69 0.00 0.00 2.12 -1.26 -4.93 118.70 116.90 2feb s GLU 73 Ca 0.06 -1.12 0.00 0.00 0.36 0.00 0.00 54.97 54.28 2feb s GLU 73 Cb -0.18 -0.86 0.00 0.00 0.26 0.00 0.00 34.13 33.35 2feb s GLU 73 CO -0.19 -1.23 0.00 0.44 -0.54 0.00 0.00 175.26 173.73 2feb n ILE 74 N 3.94 0.00 -4.04 -3.70 -5.35 -1.26 -4.21 119.36 104.74 2feb n ILE 74 Ca 0.14 0.00 -0.32 0.00 -0.27 0.00 0.00 62.75 62.30 2feb n ILE 74 Cb 0.45 0.00 -0.06 0.00 -1.74 0.00 0.00 39.64 38.29 2feb n ILE 74 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 2feb s ARG 75 N 0.00 3.14 1.05 6.28 3.00 -1.26 0.13 118.95 131.29 2feb s ARG 75 Ca 0.00 -0.48 -0.16 0.00 0.00 0.00 0.00 55.73 55.09 2feb s ARG 75 Cb 0.00 -2.90 0.15 0.00 0.00 0.00 0.00 34.95 32.20 2feb s ARG 75 CO 0.00 0.64 0.19 -0.35 0.00 0.00 0.00 175.30 175.78 2feb n PRO 76 N 0.95 -2.13 -3.34 3.54 -0.04 -1.26 -4.86 135.00 127.86 2feb n PRO 76 Ca -0.11 -0.63 -0.09 0.00 -0.04 0.00 0.00 63.50 62.63 2feb n PRO 76 Cb 0.52 -1.52 -0.08 0.00 -0.04 0.00 0.00 33.50 32.39 2feb n PRO 76 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 2feb s TRP 77 N -2.11 -0.85 0.32 0.54 1.48 -1.20 -4.27 118.94 112.86 2feb s TRP 77 Ca 0.41 0.82 0.04 0.00 -1.06 0.00 0.00 56.10 56.31 2feb s TRP 77 Cb -0.07 0.02 -0.04 0.00 -1.16 0.00 0.00 33.47 32.23 2feb s TRP 77 CO 0.43 -0.74 0.16 0.00 -4.06 0.00 0.00 176.95 172.74 2feb n TYR 79 N -0.64 0.00 -3.88 0.00 4.01 -0.41 0.08 117.16 116.30 2feb n TYR 79 Ca 0.00 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.64 2feb n TYR 79 Cb 0.65 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.58 2feb n TYR 79 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 2feb s THR 80 N 0.99 0.10 0.64 -0.72 -4.23 -1.21 -3.40 115.64 107.82 2feb s THR 80 Ca 0.00 -0.85 0.37 0.00 -1.18 0.00 0.00 61.69 60.03 2feb s THR 80 Cb 0.00 -0.66 0.39 0.00 1.34 0.00 0.00 72.50 73.58 2feb s THR 80 CO 0.00 -0.47 2.23 -0.03 -0.54 0.00 0.00 174.62 175.81 2feb h MET 81 N 3.94 0.00 -5.66 3.99 4.05 -1.90 -3.40 114.93 115.94 2feb h MET 81 Ca -0.32 0.00 -0.58 0.00 -0.28 0.00 0.00 59.70 58.52 2feb h MET 81 Cb 1.19 0.00 -0.09 0.00 -0.80 0.00 0.00 31.60 31.90 2feb h MET 81 CO 0.45 0.00 -0.13 -0.51 0.23 0.00 0.00 176.91 176.95 2feb s ASP 82 N -5.29 6.63 0.00 1.39 1.11 -1.26 -4.95 116.67 114.29 2feb s ASP 82 Ca -0.05 0.75 0.11 0.00 0.18 0.00 0.00 52.55 53.55 2feb s ASP 82 Cb 0.13 -2.28 0.57 0.00 1.07 0.00 0.00 42.92 42.41 2feb s ASP 82 CO 0.43 -0.04 1.26 -0.81 1.18 0.00 0.00 175.17 177.20 2feb n PRO 83 N 3.95 0.15 -0.94 8.23 -0.04 -1.26 -3.06 135.00 142.03 2feb n PRO 83 Ca -0.07 0.19 -0.20 0.00 -0.04 0.00 0.00 63.50 63.38 2feb n PRO 83 Cb 0.51 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.56 2feb n PRO 83 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2feb n SER 84 N -1.30 5.28 0.03 3.54 7.64 -1.26 -4.45 113.62 123.11 2feb n SER 84 Ca 0.05 -3.21 0.00 0.00 1.01 0.00 0.00 58.87 56.73 2feb n SER 84 Cb 0.09 -0.88 0.00 0.00 -1.01 0.00 0.00 64.21 62.41 2feb n SER 84 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2feb n VAL 85 N -0.34 0.00 0.00 0.44 0.31 -1.17 -5.02 118.33 112.54 2feb n VAL 85 Ca 0.41 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.74 2feb n VAL 85 Cb 0.93 -0.06 0.00 0.00 -0.91 0.00 0.00 33.84 33.80 2feb n VAL 85 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2feb n ARG 86 N -2.66 0.00 -3.60 5.55 0.63 -1.26 -4.88 116.66 110.43 2feb n ARG 86 Ca 0.00 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 56.81 2feb n ARG 86 Cb 0.00 -0.79 -0.06 0.00 0.45 0.00 0.00 32.46 32.05 2feb n ARG 86 CO 0.00 0.00 0.00 -0.46 -2.51 0.00 0.00 177.63 174.66 2feb s TRP 87 N -0.82 -0.57 0.14 -0.14 -0.11 -1.26 -4.34 118.94 111.83 2feb s TRP 87 Ca 0.00 1.27 -0.24 0.00 1.22 0.00 0.00 56.10 58.35 2feb s TRP 87 Cb 0.00 0.36 0.07 0.00 -1.50 0.00 0.00 33.47 32.40 2feb s TRP 87 CO 0.00 -0.36 0.66 -1.21 -4.62 0.00 0.00 176.95 171.42 2feb s GLU 88 N -0.22 1.22 0.07 5.86 2.02 0.11 -4.88 118.70 122.89 2feb s GLU 88 Ca -0.01 -0.46 -0.16 0.00 0.02 0.00 0.00 54.97 54.36 2feb s GLU 88 Cb -0.03 0.55 -0.06 0.00 0.10 0.00 0.00 34.13 34.69 2feb s GLU 88 CO 0.00 -0.54 0.50 0.71 0.02 0.00 0.00 175.26 175.96 2feb s TYR 89 N -3.65 3.70 0.58 1.61 1.51 -1.26 -2.89 117.35 116.96 2feb s TYR 89 Ca 0.02 1.08 -0.09 0.00 -1.01 0.00 0.00 57.07 57.08 2feb s TYR 89 Cb -0.01 -2.37 -0.03 0.00 -0.11 0.00 0.00 41.96 39.44 2feb s TYR 89 CO -0.11 0.55 0.95 0.00 -1.11 0.00 0.00 175.55 175.83 2feb n ASN 91 N -2.61 1.53 -3.47 0.00 6.94 0.12 -4.78 115.26 112.98 2feb n ASN 91 Ca 0.04 -1.49 0.01 0.00 -0.02 0.00 0.00 54.58 53.12 2feb n ASN 91 Cb 0.55 -1.59 -0.03 0.00 -2.36 0.00 0.00 39.78 36.35 2feb n ASN 91 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2feb s LEU 92 N 13.94 -1.23 0.07 -4.53 1.02 -1.21 -3.93 118.68 122.81 2feb s LEU 92 Ca 0.95 1.33 -0.04 0.00 0.02 0.00 0.00 54.13 56.39 2feb s LEU 92 Cb -0.18 2.25 -0.03 0.00 0.02 0.00 0.00 46.19 48.26 2feb s LEU 92 CO 0.12 -0.23 0.06 0.42 0.02 0.00 0.00 176.35 176.74 2feb s THR 93 N 2.88 0.18 -0.17 5.49 -4.23 -0.30 -4.67 115.64 114.83 2feb s THR 93 Ca 0.03 -1.58 -0.29 0.00 -1.18 0.00 0.00 61.69 58.68 2feb s THR 93 Cb -0.13 -1.48 -0.05 0.00 1.34 0.00 0.00 72.50 72.17 2feb s THR 93 CO -0.20 -0.84 2.06 -0.13 -0.54 0.00 0.00 174.62 174.97 2feb s ARG 94 N -3.91 3.46 0.05 3.99 0.52 -1.26 0.22 118.95 122.02 2feb s ARG 94 Ca 0.07 2.07 -0.19 0.00 -0.52 0.00 0.00 55.73 57.17 2feb s ARG 94 Cb 0.07 -4.27 -0.06 0.00 0.52 0.00 0.00 34.95 31.20 2feb s ARG 94 CO -0.10 -1.73 0.54 0.00 0.02 0.00 0.00 175.30 174.04 2feb n PRO 96 N 1.82 -0.80 -1.60 0.00 -0.04 -1.26 -4.80 135.00 128.32 2feb n PRO 96 Ca -0.11 0.00 -0.46 0.00 -0.04 0.00 0.00 63.50 62.89 2feb n PRO 96 Cb 0.51 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.93 2feb n PRO 96 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 2feb n VAL 97 N -2.18 0.44 -3.92 0.52 3.14 -1.26 -4.92 118.33 110.14 2feb n VAL 97 Ca 0.00 -0.28 0.00 0.00 -2.96 0.00 0.00 64.34 61.10 2feb n VAL 97 Cb 0.00 -2.16 0.00 0.00 -1.06 0.00 0.00 33.84 30.62 2feb n VAL 97 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 2feb n THR 98 N 6.61 0.00 -2.52 1.55 -2.24 -1.26 -4.90 114.28 111.52 2feb n THR 98 Ca 0.29 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.87 2feb n THR 98 Cb 0.36 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 2feb n THR 98 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2feb n GLU 99 N 0.00 -2.34 0.00 -0.78 1.02 -1.26 -4.73 120.64 112.55 2feb n GLU 99 Ca 0.00 0.91 0.00 0.00 -0.02 0.00 0.00 57.16 58.05 2feb n GLU 99 Cb 0.00 -5.53 0.00 0.00 -0.02 0.00 0.00 31.44 25.89 2feb n GLU 99 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2feb n SER 100 N -1.82 -5.90 -3.54 1.62 2.88 -1.26 -4.76 113.62 100.84 2feb n SER 100 Ca -0.20 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.05 2feb n SER 100 Cb 0.66 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.97 2feb n SER 100 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2feb s SER 101 N -4.00 3.52 0.00 -3.46 0.01 -1.26 -5.13 113.70 103.38 2feb s SER 101 Ca 0.00 -1.35 0.00 0.00 1.31 0.00 0.00 55.95 55.91 2feb s SER 101 Cb 0.00 -0.36 0.00 0.00 0.21 0.00 0.00 66.02 65.87 2feb s SER 101 CO 0.00 -0.43 0.00 1.33 0.41 0.00 0.00 173.24 174.55