#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 -3.16 -3.82 9.51 2.13 -1.25 -4.87 120.64 119.18 2feb n GLU 2 Ca 0.00 2.39 0.00 0.00 0.66 0.00 0.00 57.16 60.21 2feb n GLU 2 Cb 0.00 -3.76 0.00 0.00 0.27 0.00 0.00 31.44 27.95 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 -4.32 -2.03 3.56 8.31 0.00 -1.26 -4.55 105.19 104.89 2feb n GLY 3 Ca -0.05 -1.22 -0.26 0.00 0.00 0.00 0.00 46.02 44.50 2feb n GLY 3 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2feb s ARG 4 N -1.83 1.88 0.34 1.61 0.52 -1.26 -4.90 118.95 115.31 2feb s ARG 4 Ca 0.00 -2.10 -0.29 0.00 -0.52 0.00 0.00 55.73 52.82 2feb s ARG 4 Cb 0.00 -1.11 -0.11 0.00 0.52 0.00 0.00 34.95 34.25 2feb s ARG 4 CO 0.00 -0.25 1.52 1.58 0.02 0.00 0.00 175.30 178.17 2feb n HIS 5 N -0.90 2.90 0.00 -0.53 -0.00 -1.26 -4.68 115.22 110.75 2feb n HIS 5 Ca -0.07 0.38 0.00 0.00 0.46 0.00 0.00 57.72 58.50 2feb n HIS 5 Cb 0.66 -2.55 0.00 0.00 -0.12 0.00 0.00 29.99 27.99 2feb n HIS 5 CO 0.00 0.00 0.00 -0.12 0.46 0.00 0.00 176.34 176.68 2feb n MET 6 N 1.07 0.00 -3.35 1.57 1.56 -1.26 -5.10 117.12 111.61 2feb n MET 6 Ca 0.04 0.00 -0.43 0.00 -0.27 0.00 0.00 57.70 57.04 2feb n MET 6 Cb 0.38 0.00 -0.09 0.00 2.15 0.00 0.00 33.22 35.66 2feb n MET 6 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2feb s ALA 7 N -1.03 3.44 -0.71 -5.12 0.00 -1.26 -4.98 121.76 112.11 2feb s ALA 7 Ca 0.00 -1.60 -0.11 0.00 0.00 0.00 0.00 51.96 50.25 2feb s ALA 7 Cb 0.00 -3.02 -0.09 0.00 0.00 0.00 0.00 23.12 20.01 2feb s ALA 7 CO 0.00 -1.58 1.88 -0.35 0.00 0.00 0.00 175.76 175.72 2feb n PRO 8 N 5.48 1.54 -2.73 0.00 -0.04 -1.26 -4.70 135.00 133.29 2feb n PRO 8 Ca -0.08 -1.42 0.01 0.00 -0.04 0.00 0.00 63.50 61.97 2feb n PRO 8 Cb 0.47 -2.53 0.00 0.00 -0.04 0.00 0.00 33.50 31.41 2feb n PRO 8 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2feb n THR 9 N 4.97 0.00 -3.92 0.52 -2.24 -1.24 -5.05 114.28 107.32 2feb n THR 9 Ca 0.40 -0.03 0.01 0.00 -2.27 0.00 0.00 64.05 62.16 2feb n THR 9 Cb 0.21 0.21 0.01 0.00 -2.10 0.00 0.00 70.33 68.65 2feb n THR 9 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2feb n GLU 10 N -0.37 0.16 -1.87 -0.78 0.28 -1.18 -3.61 120.64 113.27 2feb n GLU 10 Ca 0.02 -0.58 -0.02 0.00 -0.16 0.00 0.00 57.16 56.43 2feb n GLU 10 Cb 0.22 0.91 -0.02 0.00 1.43 0.00 0.00 31.44 33.99 2feb n GLU 10 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2feb n ASN 11 N -0.80 -2.09 0.00 -1.84 5.03 -1.26 -3.43 115.26 110.86 2feb n ASN 11 Ca 0.02 0.61 0.00 0.00 0.87 0.00 0.00 54.58 56.09 2feb n ASN 11 Cb 0.38 -2.79 0.00 0.00 -1.02 0.00 0.00 39.78 36.35 2feb n ASN 11 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 2feb n SER 12 N 0.73 0.00 -3.74 6.41 7.64 -1.26 -2.99 113.62 120.42 2feb n SER 12 Ca -0.14 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.33 2feb n SER 12 Cb 0.22 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.43 2feb n SER 12 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2feb n THR 13 N 0.00 5.55 0.00 0.44 -2.24 -1.26 -4.46 114.28 112.31 2feb n THR 13 Ca 0.00 -5.93 0.00 0.00 -2.27 0.00 0.00 64.05 55.85 2feb n THR 13 Cb 0.00 -1.76 0.00 0.00 -2.10 0.00 0.00 70.33 66.47 2feb n THR 13 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2feb n GLY 14 N 0.49 -0.00 3.40 3.38 0.00 -1.16 -4.78 105.19 106.52 2feb n GLY 14 Ca 0.38 -0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.18 2feb n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2feb s VAL 15 N -1.37 2.10 0.00 1.61 0.11 -1.24 -3.10 120.40 118.52 2feb s VAL 15 Ca 0.00 -2.24 0.00 0.00 -2.93 0.00 0.00 61.98 56.81 2feb s VAL 15 Cb 0.00 -2.13 0.00 0.00 -1.53 0.00 0.00 36.38 32.72 2feb s VAL 15 CO 0.00 -0.44 0.00 0.00 -3.33 0.00 0.00 175.10 171.33 2feb n GLN 16 N -0.33 1.91 -1.51 1.54 10.64 -1.26 -4.91 117.38 123.46 2feb n GLN 16 Ca -0.08 0.00 -0.00 0.00 -1.83 0.00 0.00 57.00 55.09 2feb n GLN 16 Cb 0.59 0.00 -0.00 0.00 -0.86 0.00 0.00 30.24 29.97 2feb n GLN 16 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 2feb n ASP 17 N 0.00 -3.65 -4.88 2.61 8.00 -1.26 -4.56 116.55 112.81 2feb n ASP 17 Ca 0.00 0.53 -0.31 0.00 0.71 0.00 0.00 54.79 55.72 2feb n ASP 17 Cb 0.00 -2.28 -0.05 0.00 -0.02 0.00 0.00 41.12 38.77 2feb n ASP 17 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2feb n TYR 19 N 0.37 -1.72 -3.75 0.00 0.18 0.76 -2.36 117.16 110.65 2feb n TYR 19 Ca -0.06 -1.52 -0.13 0.00 1.88 0.00 0.00 57.90 58.07 2feb n TYR 19 Cb 0.51 -0.34 -0.13 0.00 -0.38 0.00 0.00 39.34 39.00 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 -3.68 0.20 4.81 -3.48 0.52 -1.26 -4.17 118.95 111.90 2feb s ARG 20 Ca 0.32 0.46 0.00 0.00 -0.52 0.00 0.00 55.73 55.99 2feb s ARG 20 Cb -0.03 -0.08 0.00 0.00 0.52 0.00 0.00 34.95 35.37 2feb s ARG 20 CO 0.20 -0.13 0.00 0.41 0.02 0.00 0.00 175.30 175.80 2feb n GLY 21 N 3.95 0.97 2.89 -3.53 0.00 -1.26 -3.91 105.19 104.30 2feb n GLY 21 Ca -0.23 0.39 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 2feb n GLY 21 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2feb s ASP 22 N -4.00 4.19 0.58 1.61 1.01 -1.26 -4.96 116.67 113.84 2feb s ASP 22 Ca 0.00 -2.76 0.32 0.00 0.71 0.00 0.00 52.55 50.82 2feb s ASP 22 Cb 0.00 -1.46 1.33 0.00 1.01 0.00 0.00 42.92 43.80 2feb s ASP 22 CO 0.00 -0.27 1.62 1.23 0.21 0.00 0.00 175.17 177.97 2feb h GLY 23 N 6.75 0.00 -2.32 0.21 0.00 -1.64 0.59 103.07 106.66 2feb h GLY 23 Ca -0.06 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.02 2feb h GLY 23 CO 0.61 0.00 -0.19 0.61 0.00 0.00 0.00 176.54 177.57 2feb n GLN 24 N -3.65 2.13 -1.52 4.80 -0.00 -1.24 -4.60 117.38 113.29 2feb n GLN 24 Ca 0.22 -3.37 -0.31 0.00 -0.00 0.00 0.00 57.00 53.54 2feb n GLN 24 Cb 1.27 -1.90 0.00 0.00 -0.00 0.00 0.00 30.24 29.61 2feb n GLN 24 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 2feb n SER 25 N -1.05 6.97 -3.57 2.61 7.64 0.20 -4.76 113.62 121.66 2feb n SER 25 Ca 0.35 -3.46 -0.25 0.00 1.01 0.00 0.00 58.87 56.52 2feb n SER 25 Cb 0.96 -1.12 0.06 0.00 -1.01 0.00 0.00 64.21 63.10 2feb n SER 25 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2feb n TYR 26 N 0.13 -2.61 -4.23 1.43 9.36 -1.26 -4.98 117.16 115.00 2feb n TYR 26 Ca 0.50 0.91 -0.14 0.00 3.32 0.00 0.00 57.90 62.48 2feb n TYR 26 Cb 0.47 -4.69 -0.05 0.00 -0.63 0.00 0.00 39.34 34.45 2feb n TYR 26 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 2feb n ARG 27 N -4.77 0.43 0.00 2.98 1.74 -1.26 -4.99 116.66 110.79 2feb n ARG 27 Ca -0.00 -2.17 0.00 0.00 -0.77 0.00 0.00 57.85 54.91 2feb n ARG 27 Cb 0.56 1.55 0.00 0.00 -1.02 0.00 0.00 32.46 33.55 2feb n ARG 27 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2feb n GLY 28 N -0.14 2.22 2.38 -0.13 0.00 -1.26 -4.86 105.19 103.39 2feb n GLY 28 Ca 0.02 -0.76 -0.18 0.00 0.00 0.00 0.00 46.02 45.10 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 0.00 -0.32 -0.01 2.61 -2.24 -1.26 -4.82 114.28 108.23 2feb n THR 29 Ca 0.00 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.66 2feb n THR 29 Cb 0.00 -2.00 -0.14 0.00 -2.10 0.00 0.00 70.33 66.09 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 -2.46 1.36 -1.68 3.22 4.77 -1.26 -4.96 117.00 116.00 2feb n LEU 30 Ca -0.19 0.36 -0.20 0.00 -0.03 0.00 0.00 56.01 55.94 2feb n LEU 30 Cb 0.61 -0.19 -0.08 0.00 -2.33 0.00 0.00 43.42 41.44 2feb n LEU 30 CO 0.26 0.52 -0.20 -1.54 -1.33 0.00 0.00 177.39 175.10 2feb n SER 31 N -3.16 -5.34 -4.48 -1.43 3.41 -1.26 -4.91 113.62 96.45 2feb n SER 31 Ca -0.21 0.44 -0.24 0.00 -0.26 0.00 0.00 58.87 58.60 2feb n SER 31 Cb 1.05 -4.70 -0.10 0.00 -0.26 0.00 0.00 64.21 60.20 2feb n SER 31 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2feb s THR 32 N -2.74 1.32 -0.30 6.66 2.01 -1.26 -3.93 115.64 117.40 2feb s THR 32 Ca 0.00 -2.00 0.02 0.00 0.31 0.00 0.00 61.69 60.02 2feb s THR 32 Cb 0.00 -2.78 0.19 0.00 0.01 0.00 0.00 72.50 69.92 2feb s THR 32 CO 0.00 0.00 0.60 0.28 -0.69 0.00 0.00 174.62 174.81 2feb s THR 33 N -3.15 -1.00 0.00 -0.82 -1.32 0.31 -3.83 115.64 105.84 2feb s THR 33 Ca 0.34 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.82 2feb s THR 33 Cb 0.08 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.07 2feb s THR 33 CO 0.15 0.00 0.00 -0.38 -2.21 0.00 0.00 174.62 172.18 2feb n ILE 34 N 5.43 0.00 -2.80 5.08 2.08 -1.14 -3.45 119.36 124.55 2feb n ILE 34 Ca 0.02 0.00 -0.11 0.00 0.56 0.00 0.00 62.75 63.22 2feb n ILE 34 Cb 0.52 0.00 0.05 0.00 -0.75 0.00 0.00 39.64 39.46 2feb n ILE 34 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 2feb n THR 35 N 0.00 0.36 0.00 1.39 -2.24 -1.26 -4.71 114.28 107.81 2feb n THR 35 Ca 0.00 -2.83 0.00 0.00 -2.27 0.00 0.00 64.05 58.95 2feb n THR 35 Cb 0.00 0.65 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 2feb n THR 35 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2feb n GLY 36 N -0.05 0.10 3.28 3.38 0.00 -1.26 -4.53 105.19 106.10 2feb n GLY 36 Ca 0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.99 2feb n GLY 36 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2feb s ARG 37 N 0.00 0.82 0.00 1.61 0.52 -1.22 -4.69 118.95 115.98 2feb s ARG 37 Ca 0.00 -0.37 0.00 0.00 -0.52 0.00 0.00 55.73 54.84 2feb s ARG 37 Cb 0.00 0.36 0.00 0.00 0.52 0.00 0.00 34.95 35.83 2feb s ARG 37 CO 0.00 -0.26 0.00 0.25 0.02 0.00 0.00 175.30 175.31 2feb n THR 38 N 0.72 0.00 1.06 0.02 -2.24 -1.26 0.12 114.28 112.70 2feb n THR 38 Ca -0.19 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.70 2feb n THR 38 Cb 0.59 -0.11 0.09 0.00 -2.10 0.00 0.00 70.33 68.80 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 -0.35 -4.09 -1.63 0.00 0.00 -1.22 -4.12 117.38 105.98 2feb n GLN 40 Ca 0.09 3.11 -0.53 0.00 -0.00 0.00 0.00 57.00 59.68 2feb n GLN 40 Cb 0.42 -4.35 -0.06 0.00 0.00 0.00 0.00 30.24 26.25 2feb n GLN 40 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 2feb n SER 41 N 1.48 2.68 -4.57 1.69 7.64 -1.26 -4.59 113.62 116.70 2feb n SER 41 Ca -0.25 0.86 -0.17 0.00 1.01 0.00 0.00 58.87 60.32 2feb n SER 41 Cb 0.39 -1.25 -0.10 0.00 -1.01 0.00 0.00 64.21 62.24 2feb n SER 41 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 2feb s TRP 42 N 4.80 1.32 0.00 1.43 0.52 -0.94 -0.62 118.94 125.45 2feb s TRP 42 Ca 1.00 1.94 0.00 0.00 0.02 0.00 0.00 56.10 59.06 2feb s TRP 42 Cb -0.89 -3.46 0.00 0.00 -1.15 0.00 0.00 33.47 27.97 2feb s TRP 42 CO 0.57 -0.96 0.00 0.43 0.02 0.00 0.00 176.95 177.00 2feb n SER 43 N 18.58 0.00 -4.56 2.95 7.64 -1.26 -4.74 113.62 132.22 2feb n SER 43 Ca 0.43 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.90 2feb n SER 43 Cb 0.46 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.63 2feb n SER 43 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2feb s SER 44 N 0.00 6.47 -0.71 6.43 0.01 0.21 -4.94 113.70 121.18 2feb s SER 44 Ca 0.00 -1.48 -0.21 0.00 1.31 0.00 0.00 55.95 55.57 2feb s SER 44 Cb 0.00 -2.57 0.09 0.00 0.21 0.00 0.00 66.02 63.75 2feb s SER 44 CO 0.00 -1.53 0.95 -0.04 0.41 0.00 0.00 173.24 173.03 2feb s MET 45 N 5.00 3.20 0.10 12.44 -1.94 -1.26 -4.63 119.30 132.22 2feb s MET 45 Ca 0.47 -1.14 0.00 0.00 -1.71 0.00 0.00 55.69 53.31 2feb s MET 45 Cb 0.00 -4.39 0.00 0.00 2.01 0.00 0.00 34.83 32.45 2feb s MET 45 CO -0.09 -1.75 0.00 0.25 -0.01 0.00 0.00 175.02 173.42 2feb n THR 46 N 5.75 0.00 -0.03 2.05 -2.24 -1.26 -4.98 114.28 113.57 2feb n THR 46 Ca 0.01 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.64 2feb n THR 46 Cb 0.46 -0.06 -0.08 0.00 -2.10 0.00 0.00 70.33 68.54 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 0.49 -1.99 -0.78 0.13 -1.94 -3.47 132.00 124.44 2feb h PRO 47 Ca 0.00 -0.38 -0.05 0.00 -0.87 0.00 0.00 66.00 64.70 2feb h PRO 47 Cb 0.00 0.07 -0.20 0.00 0.13 0.00 0.00 31.00 31.01 2feb h PRO 47 CO 0.00 1.01 0.18 -3.38 -0.23 0.00 0.00 178.00 175.58 2feb s HIS 48 N -3.73 -0.69 -0.45 1.56 -3.43 -1.26 -5.07 115.29 102.22 2feb s HIS 48 Ca -0.13 1.32 -0.27 0.00 -0.80 0.00 0.00 55.06 55.17 2feb s HIS 48 Cb 0.05 0.38 -0.03 0.00 -1.43 0.00 0.00 32.58 31.55 2feb s HIS 48 CO 0.81 -0.55 1.97 -1.58 -2.00 0.00 0.00 174.74 173.40 2feb s TRP 49 N -0.81 1.56 0.00 0.38 0.52 -1.26 -4.79 118.94 114.54 2feb s TRP 49 Ca -0.08 0.85 0.00 0.00 0.02 0.00 0.00 56.10 56.89 2feb s TRP 49 Cb -0.01 -3.99 0.00 0.00 -1.15 0.00 0.00 33.47 28.32 2feb s TRP 49 CO 0.08 -2.74 0.87 -2.39 0.02 0.00 0.00 176.95 172.78 2feb n HIS 50 N 12.36 0.00 -1.80 -1.98 1.44 -1.26 -4.99 115.22 118.99 2feb n HIS 50 Ca 0.25 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.96 2feb n HIS 50 Cb 0.50 -0.37 0.00 0.00 0.12 0.00 0.00 29.99 30.24 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 -2.05 -1.97 -1.52 -1.40 1.85 -1.26 -4.97 116.66 105.34 2feb n ARG 51 Ca 0.00 0.00 -0.25 0.00 -1.00 0.00 0.00 57.85 56.60 2feb n ARG 51 Cb 0.00 0.00 -0.16 0.00 -1.05 0.00 0.00 32.46 31.25 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 -0.05 0.23 -0.70 2.89 5.12 -1.26 -4.85 116.66 118.03 2feb n ARG 52 Ca 0.00 -0.21 -0.32 0.00 -1.93 0.00 0.00 57.85 55.39 2feb n ARG 52 Cb 0.00 -1.97 0.16 0.00 -1.16 0.00 0.00 32.46 29.49 2feb n ARG 52 CO 0.00 0.00 0.00 0.44 -1.93 0.00 0.00 177.63 176.14 2feb n ILE 53 N 6.90 0.00 -0.25 0.55 -5.35 -1.26 -4.64 119.36 115.31 2feb n ILE 53 Ca 0.60 -0.21 -0.11 0.00 -0.27 0.00 0.00 62.75 62.75 2feb n ILE 53 Cb 0.23 -0.73 -0.03 0.00 -1.74 0.00 0.00 39.64 37.37 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 -2.65 0.00 0.00 6.28 -0.04 -1.26 -2.68 135.00 134.65 2feb n PRO 54 Ca 0.06 -0.53 0.00 0.00 -0.04 0.00 0.00 63.50 62.98 2feb n PRO 54 Cb 0.55 -1.94 0.00 0.00 -0.04 0.00 0.00 33.50 32.07 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 5.61 0.00 -0.09 1.53 7.94 -1.26 -4.95 117.00 125.78 2feb n LEU 55 Ca 0.12 0.00 -0.23 0.00 -1.11 0.00 0.00 56.01 54.79 2feb n LEU 55 Cb 0.12 0.00 -0.12 0.00 0.53 0.00 0.00 43.42 43.95 2feb n LEU 55 CO 0.60 0.00 -0.96 -1.22 -1.11 0.00 0.00 177.39 174.70 2feb n TYR 56 N -1.03 0.68 -2.51 1.96 4.02 -1.09 -4.95 117.16 114.24 2feb n TYR 56 Ca 0.00 0.22 -0.32 0.00 -0.01 0.00 0.00 57.90 57.79 2feb n TYR 56 Cb 0.00 -1.08 -0.04 0.00 -0.02 0.00 0.00 39.34 38.20 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 -2.48 3.44 -0.63 -0.72 -0.85 -1.26 -4.91 117.35 109.94 2feb s TYR 57 Ca -0.30 1.42 -0.04 0.00 -0.52 0.00 0.00 57.07 57.63 2feb s TYR 57 Cb 0.09 -2.75 -0.04 0.00 0.38 0.00 0.00 41.96 39.64 2feb s TYR 57 CO 0.62 -0.30 1.76 -0.35 -1.52 0.00 0.00 175.55 175.76 2feb n PRO 58 N -1.43 1.43 -2.77 -3.49 -0.04 -1.26 -4.68 135.00 122.76 2feb n PRO 58 Ca 0.06 -1.17 -0.01 0.00 -0.04 0.00 0.00 63.50 62.34 2feb n PRO 58 Cb 0.54 -2.32 0.00 0.00 -0.04 0.00 0.00 33.50 31.68 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 4.52 -0.18 0.25 3.54 5.03 -1.26 -4.80 115.26 122.36 2feb n ASN 59 Ca 0.31 -0.04 -0.16 0.00 0.87 0.00 0.00 54.58 55.56 2feb n ASN 59 Cb 0.10 -0.06 -0.08 0.00 -1.02 0.00 0.00 39.78 38.71 2feb n ASN 59 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2feb h ALA 60 N 1.40 -0.83 0.00 5.41 0.00 -2.02 -3.47 119.26 119.75 2feb h ALA 60 Ca -0.03 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2feb h ALA 60 Cb 0.05 0.53 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2feb h ALA 60 CO 0.02 -1.00 0.00 0.41 0.00 0.00 0.00 179.25 178.67 2feb n GLY 61 N -1.48 -0.01 3.71 0.00 0.00 -1.26 -5.12 105.19 101.02 2feb n GLY 61 Ca -0.10 -0.43 -0.42 0.00 0.00 0.00 0.00 46.02 45.07 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 4.35 -1.50 0.99 1.43 -1.26 -4.93 118.68 117.76 2feb s LEU 62 Ca 0.00 1.84 -0.13 0.00 -1.03 0.00 0.00 54.13 54.81 2feb s LEU 62 Cb 0.00 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.65 2feb s LEU 62 CO 0.00 -0.40 2.42 0.35 0.23 0.00 0.00 176.35 178.95 2feb n THR 63 N 4.03 3.66 0.00 5.49 -2.24 -1.26 -4.91 114.28 119.05 2feb n THR 63 Ca 0.08 -2.88 0.00 0.00 -2.27 0.00 0.00 64.05 58.98 2feb n THR 63 Cb 0.48 -2.61 0.00 0.00 -2.10 0.00 0.00 70.33 66.10 2feb n THR 63 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2feb n ARG 64 N 5.44 0.00 -2.11 -0.78 3.00 -1.26 -0.72 116.66 120.23 2feb n ARG 64 Ca 0.59 0.00 -0.30 0.00 -0.01 0.00 0.00 57.85 58.13 2feb n ARG 64 Cb 0.35 0.00 0.02 0.00 0.00 0.00 0.00 32.46 32.83 2feb n ARG 64 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 2feb n ASN 65 N 7.05 5.67 -4.43 0.55 6.94 -1.26 -2.21 115.26 127.57 2feb n ASN 65 Ca 0.00 -3.76 -0.44 0.00 -0.02 0.00 0.00 54.58 50.36 2feb n ASN 65 Cb 0.00 -0.60 -0.03 0.00 -2.36 0.00 0.00 39.78 36.79 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 -3.69 3.04 -0.08 -2.53 1.51 0.10 -3.66 117.35 112.04 2feb s TYR 66 Ca 0.52 -1.18 -0.07 0.00 -1.01 0.00 0.00 57.07 55.32 2feb s TYR 66 Cb 0.42 -4.22 -0.03 0.00 -0.11 0.00 0.00 41.96 38.02 2feb s TYR 66 CO -0.15 -1.47 0.31 0.00 -1.11 0.00 0.00 175.55 173.14 2feb n ARG 68 N 1.06 0.61 -4.05 0.00 1.85 -1.26 -4.80 116.66 110.08 2feb n ARG 68 Ca 0.08 -1.29 -0.13 0.00 -1.00 0.00 0.00 57.85 55.51 2feb n ARG 68 Cb -0.01 1.67 -0.12 0.00 -1.05 0.00 0.00 32.46 32.95 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 -2.64 0.57 0.12 2.89 2.20 -1.26 -3.10 114.94 113.72 2feb s ASN 69 Ca 0.14 -0.37 -0.28 0.00 -0.94 0.00 0.00 52.86 51.41 2feb s ASN 69 Cb -0.03 0.02 -0.07 0.00 -2.00 0.00 0.00 41.25 39.18 2feb s ASN 69 CO 0.06 -0.14 1.61 1.55 -2.94 0.00 0.00 177.10 177.24 2feb h PRO 70 N 5.06 -0.50 0.00 3.55 0.13 -1.96 -3.43 132.00 134.85 2feb h PRO 70 Ca -0.32 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2feb h PRO 70 Cb 1.20 0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.45 2feb h PRO 70 CO 0.44 -0.33 0.00 -0.40 -0.23 0.00 0.00 178.00 177.48 2feb n ASP 71 N -5.43 0.00 -3.28 1.44 5.68 -1.26 -5.12 116.55 108.59 2feb n ASP 71 Ca -0.06 0.00 -0.08 0.00 -0.50 0.00 0.00 54.79 54.15 2feb n ASP 71 Cb 0.34 0.00 0.01 0.00 -1.14 0.00 0.00 41.12 40.33 2feb n ASP 71 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2feb s ALA 72 N -3.61 -0.94 0.00 2.12 0.00 -1.26 -4.94 121.76 113.12 2feb s ALA 72 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 51.39 2feb s ALA 72 Cb 0.00 0.74 0.00 0.00 0.00 0.00 0.00 23.12 23.86 2feb s ALA 72 CO 0.00 -1.01 0.00 -1.91 0.00 0.00 0.00 175.76 172.84 2feb n GLU 73 N -0.51 0.00 0.00 0.00 2.13 -1.26 -5.02 120.64 115.98 2feb n GLU 73 Ca -0.07 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.75 2feb n GLU 73 Cb 0.60 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.31 2feb n GLU 73 CO 0.00 0.00 0.00 0.44 -0.41 0.00 0.00 177.13 177.16 2feb n ILE 74 N 0.00 0.00 -4.13 6.31 -5.35 -1.26 -5.04 119.36 109.89 2feb n ILE 74 Ca 0.00 0.00 -0.15 0.00 -0.27 0.00 0.00 62.75 62.33 2feb n ILE 74 Cb 0.00 0.00 -0.12 0.00 -1.74 0.00 0.00 39.64 37.78 2feb n ILE 74 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 2feb s ARG 75 N -1.53 0.59 1.19 6.28 3.00 -1.26 -2.90 118.95 124.32 2feb s ARG 75 Ca 0.00 -0.67 -0.14 0.00 -1.00 0.00 0.00 55.73 53.91 2feb s ARG 75 Cb 0.00 -0.46 0.29 0.00 0.00 0.00 0.00 34.95 34.78 2feb s ARG 75 CO 0.00 0.10 1.03 -1.25 0.00 0.00 0.00 175.30 175.18 2feb s PRO 76 N -1.27 -1.08 -0.50 5.12 0.04 -1.26 -4.84 135.00 131.21 2feb s PRO 76 Ca -0.05 0.60 0.07 0.00 0.04 0.00 0.00 61.00 61.66 2feb s PRO 76 Cb -0.08 -1.55 0.19 0.00 0.04 0.00 0.00 34.50 33.09 2feb s PRO 76 CO 0.01 -3.77 0.70 1.67 0.04 0.00 0.00 177.00 175.65 2feb s TRP 77 N -2.55 -1.50 0.10 0.56 1.48 -1.18 -4.32 118.94 111.53 2feb s TRP 77 Ca 0.68 -0.57 0.05 0.00 -1.06 0.00 0.00 56.10 55.20 2feb s TRP 77 Cb -0.22 0.26 -0.03 0.00 -1.16 0.00 0.00 33.47 32.32 2feb s TRP 77 CO 0.62 -1.25 -0.13 0.00 -4.06 0.00 0.00 176.95 172.14 2feb n TYR 79 N 0.81 -3.38 -4.49 0.00 4.01 -1.26 -3.11 117.16 109.75 2feb n TYR 79 Ca -0.18 -0.59 -0.23 0.00 -0.16 0.00 0.00 57.90 56.74 2feb n TYR 79 Cb 0.56 -1.20 -0.10 0.00 -0.31 0.00 0.00 39.34 38.30 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 -2.01 0.99 0.06 -0.72 -4.23 -1.23 -3.43 115.64 105.07 2feb s THR 80 Ca 0.55 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 59.05 2feb s THR 80 Cb -0.10 -2.61 -0.26 0.00 1.34 0.00 0.00 72.50 70.87 2feb s THR 80 CO 0.46 0.00 1.06 -0.03 -0.54 0.00 0.00 174.62 175.57 2feb h MET 81 N 1.97 0.19 -6.20 3.99 4.05 -1.92 -3.42 114.93 113.59 2feb h MET 81 Ca -0.39 -0.33 -0.56 0.00 -0.28 0.00 0.00 59.70 58.14 2feb h MET 81 Cb 1.26 0.12 0.01 0.00 -0.80 0.00 0.00 31.60 32.19 2feb h MET 81 CO 0.66 1.10 1.33 -3.47 0.23 0.00 0.00 176.91 176.75 2feb n ASP 82 N -3.44 3.72 -2.27 1.39 2.03 -1.26 -4.83 116.55 111.89 2feb n ASP 82 Ca -0.09 0.63 -0.06 0.00 0.52 0.00 0.00 54.79 55.78 2feb n ASP 82 Cb 1.01 -1.52 -0.08 0.00 -0.72 0.00 0.00 41.12 39.81 2feb n ASP 82 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2feb n PRO 83 N 7.96 1.02 -0.74 -0.67 -0.04 -1.26 -2.79 135.00 138.47 2feb n PRO 83 Ca 0.25 -0.52 -0.03 0.00 -0.04 0.00 0.00 63.50 63.15 2feb n PRO 83 Cb 0.41 -1.77 -0.03 0.00 -0.04 0.00 0.00 33.50 32.07 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 2.79 -0.49 0.02 3.54 7.64 -1.26 -5.01 113.62 120.84 2feb n SER 84 Ca 0.22 -1.46 0.00 0.00 1.01 0.00 0.00 58.87 58.64 2feb n SER 84 Cb 0.45 0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 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 0.00 0.04 0.00 0.44 0.31 -1.12 -5.02 118.33 112.97 2feb n VAL 85 Ca -0.14 0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 2feb n VAL 85 Cb 0.59 -0.26 0.00 0.00 -0.91 0.00 0.00 33.84 33.26 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 -2.68 0.00 -3.64 5.55 0.63 -1.26 -4.91 116.66 110.36 2feb n ARG 86 Ca 0.00 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.84 2feb n ARG 86 Cb 0.00 -0.93 -0.07 0.00 0.45 0.00 0.00 32.46 31.91 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 -1.35 -0.75 0.02 -0.14 -0.11 -1.26 -4.01 118.94 111.34 2feb s TRP 87 Ca 0.00 1.66 -0.28 0.00 1.22 0.00 0.00 56.10 58.70 2feb s TRP 87 Cb 0.00 0.41 0.08 0.00 -1.50 0.00 0.00 33.47 32.46 2feb s TRP 87 CO 0.00 -0.37 0.74 -2.00 -4.62 0.00 0.00 176.95 170.70 2feb s GLU 88 N 0.87 1.03 -0.03 5.86 2.56 -1.18 -4.89 118.70 122.92 2feb s GLU 88 Ca -0.04 -0.13 -0.18 0.00 0.00 0.00 0.00 54.97 54.62 2feb s GLU 88 Cb -0.05 0.48 -0.05 0.00 2.00 0.00 0.00 34.13 36.51 2feb s GLU 88 CO -0.10 -0.40 0.49 0.71 -0.56 0.00 0.00 175.26 175.41 2feb s TYR 89 N -2.49 3.66 0.78 5.30 1.51 -1.26 -3.64 117.35 121.21 2feb s TYR 89 Ca -0.02 1.04 -0.15 0.00 -1.01 0.00 0.00 57.07 56.93 2feb s TYR 89 Cb -0.01 -2.47 -0.01 0.00 -0.11 0.00 0.00 41.96 39.36 2feb s TYR 89 CO -0.03 0.42 0.59 0.00 -1.11 0.00 0.00 175.55 175.41 2feb n ASN 91 N -0.82 2.54 -3.70 0.00 0.23 -1.25 -4.32 115.26 107.93 2feb n ASN 91 Ca 0.10 -2.66 -0.12 0.00 -0.53 0.00 0.00 54.58 51.36 2feb n ASN 91 Cb 0.51 -1.29 -0.13 0.00 -2.08 0.00 0.00 39.78 36.79 2feb n ASN 91 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 2feb s LEU 92 N 4.83 0.09 0.10 -4.53 1.02 -1.23 -3.85 118.68 115.11 2feb s LEU 92 Ca 0.63 0.63 0.01 0.00 0.02 0.00 0.00 54.13 55.41 2feb s LEU 92 Cb 0.09 0.85 -0.04 0.00 0.02 0.00 0.00 46.19 47.11 2feb s LEU 92 CO 0.15 -0.19 -0.04 0.42 0.02 0.00 0.00 176.35 176.71 2feb s THR 93 N 1.66 0.52 -0.16 5.49 -4.23 0.30 -4.63 115.64 114.59 2feb s THR 93 Ca -0.06 -1.91 -0.29 0.00 -1.18 0.00 0.00 61.69 58.25 2feb s THR 93 Cb -0.11 -1.73 -0.06 0.00 1.34 0.00 0.00 72.50 71.94 2feb s THR 93 CO -0.09 -0.82 2.10 -0.13 -0.54 0.00 0.00 174.62 175.14 2feb s ARG 94 N -3.88 3.44 0.22 3.99 1.81 -1.26 0.27 118.95 123.53 2feb s ARG 94 Ca 0.13 2.14 -0.25 0.00 -1.72 0.00 0.00 55.73 56.03 2feb s ARG 94 Cb 0.06 -4.29 -0.09 0.00 -0.45 0.00 0.00 34.95 30.18 2feb s ARG 94 CO -0.04 -1.75 0.82 0.00 -0.68 0.00 0.00 175.30 173.65 2feb n PRO 96 N 1.18 2.94 0.07 0.00 -0.04 -1.26 -3.86 135.00 134.02 2feb n PRO 96 Ca -0.03 -1.84 0.00 0.00 -0.04 0.00 0.00 63.50 61.59 2feb n PRO 96 Cb 0.49 -2.63 0.00 0.00 -0.04 0.00 0.00 33.50 31.33 2feb n PRO 96 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2feb n VAL 97 N 3.84 0.00 -1.49 0.52 0.31 -1.26 -5.13 118.33 115.12 2feb n VAL 97 Ca 0.63 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 64.63 2feb n VAL 97 Cb 0.19 -0.06 0.08 0.00 -0.91 0.00 0.00 33.84 33.14 2feb n VAL 97 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 2feb s THR 98 N -1.32 2.99 0.00 2.52 2.01 -1.25 -5.06 115.64 115.53 2feb s THR 98 Ca 0.00 0.42 0.00 0.00 0.31 0.00 0.00 61.69 62.42 2feb s THR 98 Cb 0.00 -2.89 0.00 0.00 0.01 0.00 0.00 72.50 69.62 2feb s THR 98 CO 0.00 -0.33 0.00 -0.62 -0.69 0.00 0.00 174.62 172.98 2feb n GLU 99 N -2.89 1.32 -3.73 4.92 4.71 -1.26 -4.91 120.64 118.79 2feb n GLU 99 Ca 0.11 0.00 -0.12 0.00 -0.01 0.00 0.00 57.16 57.14 2feb n GLU 99 Cb 0.52 0.00 -0.12 0.00 -1.01 0.00 0.00 31.44 30.83 2feb n GLU 99 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 2feb s SER 100 N -0.97 -0.31 0.00 1.62 1.04 -1.26 -5.01 113.70 108.81 2feb s SER 100 Ca 0.00 0.59 0.00 0.00 0.48 0.00 0.00 55.95 57.02 2feb s SER 100 Cb 0.00 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.61 2feb s SER 100 CO 0.00 -0.16 0.00 -1.20 0.98 0.00 0.00 173.24 172.86 2feb n SER 101 N 3.96 0.00 0.00 7.02 7.64 -1.26 -5.33 113.62 125.65 2feb n SER 101 Ca -0.22 0.00 0.04 0.00 1.01 0.00 0.00 58.87 59.69 2feb n SER 101 Cb 0.54 -0.18 0.23 0.00 -1.01 0.00 0.00 64.21 63.80 2feb n SER 101 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36