#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 -4.75 0.00 6.28 2.13 -1.26 -4.70 120.64 118.33 2feb n GLU 2 Ca 0.00 3.46 0.00 0.00 0.66 0.00 0.00 57.16 61.28 2feb n GLU 2 Cb 0.00 -3.87 0.00 0.00 0.27 0.00 0.00 31.44 27.84 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 1.63 5.36 0.00 8.31 0.00 -0.11 -4.71 105.19 115.68 2feb n GLY 3 Ca 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.70 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 1.41 -1.43 1.61 5.12 -1.26 -4.77 116.66 117.34 2feb n ARG 4 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2feb n ARG 4 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 2feb n ARG 4 CO 0.00 0.00 0.00 1.58 -1.93 0.00 0.00 177.63 177.28 2feb n HIS 5 N 0.00 -3.91 -3.90 -1.55 -0.00 -1.26 -4.60 115.22 100.00 2feb n HIS 5 Ca 0.00 2.12 -0.11 0.00 0.46 0.00 0.00 57.72 60.19 2feb n HIS 5 Cb 0.00 -3.33 -0.01 0.00 -0.12 0.00 0.00 29.99 26.52 2feb n HIS 5 CO 0.00 0.00 0.00 -1.33 0.46 0.00 0.00 176.34 175.47 2feb n MET 6 N -2.51 0.67 -3.59 1.57 2.81 -1.26 -4.29 117.12 110.52 2feb n MET 6 Ca 0.00 -2.23 -0.05 0.00 -1.81 0.00 0.00 57.70 53.61 2feb n MET 6 Cb 0.44 2.27 -0.02 0.00 -0.71 0.00 0.00 33.22 35.20 2feb n MET 6 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2feb s ALA 7 N -2.42 -1.99 0.05 3.04 0.00 -1.26 -4.85 121.76 114.32 2feb s ALA 7 Ca 0.22 1.19 -0.20 0.00 0.00 0.00 0.00 51.96 53.17 2feb s ALA 7 Cb -0.02 0.16 -0.13 0.00 0.00 0.00 0.00 23.12 23.13 2feb s ALA 7 CO 0.16 -0.72 1.37 -1.00 0.00 0.00 0.00 175.76 175.57 2feb h PRO 8 N 2.00 0.38 -6.31 0.00 0.13 -1.91 -3.41 132.00 122.88 2feb h PRO 8 Ca -0.17 -0.19 -0.54 0.00 -0.87 0.00 0.00 66.00 64.23 2feb h PRO 8 Cb 1.20 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2feb h PRO 8 CO 0.26 0.73 1.09 0.99 -0.23 0.00 0.00 178.00 180.84 2feb s THR 9 N -4.41 3.42 1.08 1.56 2.01 -1.26 -4.91 115.64 113.12 2feb s THR 9 Ca -0.14 0.58 -0.17 0.00 0.31 0.00 0.00 61.69 62.27 2feb s THR 9 Cb 0.06 -3.37 0.26 0.00 0.01 0.00 0.00 72.50 69.45 2feb s THR 9 CO 0.75 -0.04 0.59 -1.84 -0.69 0.00 0.00 174.62 173.39 2feb n GLU 10 N 6.93 -3.26 -0.12 4.92 0.28 -1.26 -0.06 120.64 128.07 2feb n GLU 10 Ca 0.17 -0.99 0.02 0.00 -0.16 0.00 0.00 57.16 56.20 2feb n GLU 10 Cb 0.42 -1.44 -0.00 0.00 1.43 0.00 0.00 31.44 31.85 2feb n GLU 10 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 2feb n ASN 11 N -3.94 -2.97 -0.24 -1.84 5.15 -1.26 -3.42 115.26 106.73 2feb n ASN 11 Ca 0.09 0.13 0.32 0.00 -0.60 0.00 0.00 54.58 54.52 2feb n ASN 11 Cb 0.41 -0.35 0.71 0.00 -0.53 0.00 0.00 39.78 40.01 2feb n ASN 11 CO 0.00 0.00 0.00 -1.28 1.40 0.00 0.00 177.26 177.38 2feb h SER 12 N -0.11 0.00 0.35 1.20 0.87 -1.88 0.79 113.55 114.76 2feb h SER 12 Ca 0.00 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.53 2feb h SER 12 Cb 0.11 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.06 2feb h SER 12 CO 0.00 0.00 -0.13 0.71 -0.53 0.00 0.00 176.83 176.88 2feb h THR 13 N 0.00 0.64 -1.54 2.23 1.35 -1.75 -3.35 112.91 110.49 2feb h THR 13 Ca 0.49 -0.56 -0.43 0.00 -0.55 0.00 0.00 66.41 65.36 2feb h THR 13 Cb 2.20 1.35 -0.30 0.00 -1.73 0.00 0.00 68.15 69.67 2feb h THR 13 CO -0.01 0.13 -0.84 0.61 -0.25 0.00 0.00 175.52 175.17 2feb n GLY 14 N -0.71 1.47 3.04 5.82 0.00 0.27 -4.30 105.19 110.77 2feb n GLY 14 Ca -0.02 -0.79 -0.11 0.00 0.00 0.00 0.00 46.02 45.10 2feb n GLY 14 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2feb n VAL 15 N 2.16 0.00 0.01 1.61 0.24 -1.18 -4.30 118.33 116.86 2feb n VAL 15 Ca 0.21 -1.37 0.00 0.00 -2.04 0.00 0.00 64.34 61.14 2feb n VAL 15 Cb 0.54 0.93 0.00 0.00 -1.47 0.00 0.00 33.84 33.84 2feb n VAL 15 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2feb n GLN 16 N -0.50 0.00 -1.56 7.34 10.64 -1.15 -4.30 117.38 127.86 2feb n GLN 16 Ca -0.02 0.00 -0.39 0.00 -1.83 0.00 0.00 57.00 54.76 2feb n GLN 16 Cb 0.51 -0.36 0.03 0.00 -0.86 0.00 0.00 30.24 29.56 2feb n GLN 16 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 2feb n ASP 17 N -2.91 0.32 -4.99 2.61 -0.08 0.16 -0.93 116.55 110.73 2feb n ASP 17 Ca 0.00 0.86 -0.23 0.00 -1.51 0.00 0.00 54.79 53.92 2feb n ASP 17 Cb 0.34 -1.30 0.04 0.00 2.34 0.00 0.00 41.12 42.54 2feb n ASP 17 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2feb s TYR 19 N -2.75 3.12 -0.40 0.00 2.02 1.50 -3.54 117.35 117.30 2feb s TYR 19 Ca 0.51 -0.27 0.03 0.00 -0.37 0.00 0.00 57.07 56.97 2feb s TYR 19 Cb -0.04 -2.21 0.16 0.00 -0.40 0.00 0.00 41.96 39.47 2feb s TYR 19 CO 0.32 -0.23 0.35 1.03 -1.57 0.00 0.00 175.55 175.45 2feb s ARG 20 N 1.34 0.81 0.00 -0.62 0.52 -1.26 -4.14 118.95 115.60 2feb s ARG 20 Ca 0.05 -1.71 0.00 0.00 -0.52 0.00 0.00 55.73 53.55 2feb s ARG 20 Cb -0.15 -1.20 0.00 0.00 0.52 0.00 0.00 34.95 34.12 2feb s ARG 20 CO 0.04 -1.32 0.00 0.41 0.02 0.00 0.00 175.30 174.44 2feb n GLY 21 N 3.27 1.22 2.50 -3.53 0.00 -1.26 -4.49 105.19 102.91 2feb n GLY 21 Ca 0.23 -0.84 -0.01 0.00 0.00 0.00 0.00 46.02 45.40 2feb n GLY 21 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2feb n ASP 22 N 0.00 0.00 0.00 1.61 8.00 -1.26 -4.91 116.55 119.99 2feb n ASP 22 Ca 0.00 -2.10 0.00 0.00 0.71 0.00 0.00 54.79 53.40 2feb n ASP 22 Cb 0.00 0.10 0.00 0.00 -0.02 0.00 0.00 41.12 41.20 2feb n ASP 22 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2feb n GLY 23 N -0.87 0.93 1.32 0.44 0.00 -0.59 -4.24 105.19 102.18 2feb n GLY 23 Ca -0.07 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.34 2feb n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2feb n GLN 24 N 0.00 0.00 -2.21 1.61 10.64 -1.26 -4.70 117.38 121.46 2feb n GLN 24 Ca 0.00 0.00 -0.06 0.00 -1.83 0.00 0.00 57.00 55.11 2feb n GLN 24 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 2feb n GLN 24 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 2feb n SER 25 N 0.14 -2.54 -2.50 2.61 2.88 -1.26 -2.94 113.62 110.01 2feb n SER 25 Ca 0.00 -0.03 -0.14 0.00 -1.33 0.00 0.00 58.87 57.38 2feb n SER 25 Cb 0.00 -1.79 -0.01 0.00 -0.75 0.00 0.00 64.21 61.66 2feb n SER 25 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 2feb n TYR 26 N -3.91 -1.42 0.01 0.66 4.01 -1.26 -4.74 117.16 110.52 2feb n TYR 26 Ca -0.06 0.03 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 2feb n TYR 26 Cb 0.55 -2.87 0.00 0.00 -0.31 0.00 0.00 39.34 36.71 2feb n TYR 26 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2feb n ARG 27 N -2.89 0.00 0.00 -0.72 5.12 -1.19 -5.09 116.66 111.89 2feb n ARG 27 Ca -0.14 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.78 2feb n ARG 27 Cb 0.61 -0.03 0.00 0.00 -1.16 0.00 0.00 32.46 31.88 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 2.41 1.24 5.00 -0.13 0.00 -1.15 -4.94 105.19 107.63 2feb n GLY 28 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 0.00 -2.55 2.61 -2.24 -1.26 -4.82 114.28 106.02 2feb n THR 29 Ca 0.00 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.35 2feb n THR 29 Cb 0.00 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.21 2feb n THR 29 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 2feb s LEU 30 N 0.00 3.91 -0.04 3.22 2.34 -1.26 -4.88 118.68 121.97 2feb s LEU 30 Ca 0.00 1.11 0.11 0.00 0.06 0.00 0.00 54.13 55.41 2feb s LEU 30 Cb 0.00 -3.54 0.38 0.00 -0.56 0.00 0.00 46.19 42.47 2feb s LEU 30 CO 0.00 -0.96 1.25 -1.20 -1.06 0.00 0.00 176.35 174.38 2feb n SER 31 N 7.17 2.56 -2.67 1.48 7.64 -1.26 -2.28 113.62 126.26 2feb n SER 31 Ca 0.13 -2.15 0.00 0.00 1.01 0.00 0.00 58.87 57.86 2feb n SER 31 Cb 0.47 -0.37 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 2feb n SER 31 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2feb n THR 32 N 0.56 0.00 0.00 0.44 -1.04 -1.26 -2.16 114.28 110.82 2feb n THR 32 Ca 0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.15 2feb n THR 32 Cb 0.46 -1.99 0.00 0.00 -1.82 0.00 0.00 70.33 66.99 2feb n THR 32 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 2feb n THR 33 N -0.69 0.00 0.04 12.58 5.66 -1.00 -3.02 114.28 127.85 2feb n THR 33 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2feb n THR 33 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 2feb n THR 33 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64 2feb n ILE 34 N -0.37 0.00 0.00 1.09 2.08 -0.07 -2.32 119.36 119.77 2feb n ILE 34 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 2feb n ILE 34 Cb 0.00 -0.04 0.00 0.00 -0.75 0.00 0.00 39.64 38.85 2feb n ILE 34 CO 0.00 0.00 0.00 0.41 0.56 0.00 0.00 176.55 177.52 2feb n THR 35 N -2.68 0.00 0.00 1.39 -1.04 -1.26 -4.19 114.28 106.50 2feb n THR 35 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2feb n THR 35 Cb 0.00 -0.28 0.00 0.00 -1.82 0.00 0.00 70.33 68.23 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 1.06 0.00 1.79 3.41 0.00 -1.26 -5.09 105.19 105.11 2feb n GLY 36 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.89 -3.17 -1.67 1.61 3.00 -1.26 -4.93 116.66 108.35 2feb n ARG 37 Ca 0.00 -0.85 0.00 0.00 -0.01 0.00 0.00 57.85 56.99 2feb n ARG 37 Cb 0.34 -1.00 0.00 0.00 0.00 0.00 0.00 32.46 31.80 2feb n ARG 37 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 2feb n THR 38 N -4.33 0.00 0.86 0.55 -2.24 -1.26 -3.39 114.28 104.47 2feb n THR 38 Ca 0.08 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.97 2feb n THR 38 Cb 0.33 0.00 0.09 0.00 -2.10 0.00 0.00 70.33 68.65 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 -1.66 -3.46 -1.22 0.00 -0.06 -1.25 -0.22 117.38 109.52 2feb n GLN 40 Ca 0.04 2.64 -0.34 0.00 -2.00 0.00 0.00 57.00 57.34 2feb n GLN 40 Cb 0.37 -2.66 0.11 0.00 -4.06 0.00 0.00 30.24 24.00 2feb n GLN 40 CO 0.00 0.00 0.00 0.43 -0.20 0.00 0.00 177.06 177.29 2feb n SER 41 N 1.18 0.83 -0.88 1.69 7.64 -1.26 -4.63 113.62 118.19 2feb n SER 41 Ca 0.00 0.62 0.02 0.00 1.01 0.00 0.00 58.87 60.52 2feb n SER 41 Cb 0.00 -1.47 0.12 0.00 -1.01 0.00 0.00 64.21 61.85 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 -2.97 0.60 -1.20 1.43 7.02 -1.02 -3.27 117.44 118.03 2feb n TRP 42 Ca 0.13 -0.21 0.00 0.00 -1.02 0.00 0.00 57.50 56.40 2feb n TRP 42 Cb 0.50 -0.21 0.00 0.00 -2.42 0.00 0.00 31.31 29.18 2feb n TRP 42 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 2feb n SER 43 N 0.18 0.00 -4.40 -0.99 3.41 -1.26 -4.09 113.62 106.47 2feb n SER 43 Ca 0.08 -1.04 -0.45 0.00 -0.26 0.00 0.00 58.87 57.21 2feb n SER 43 Cb 0.51 -0.01 -0.00 0.00 -0.26 0.00 0.00 64.21 64.45 2feb n SER 43 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2feb s SER 44 N -0.04 7.14 -0.90 4.04 0.15 -1.20 -4.97 113.70 117.91 2feb s SER 44 Ca 0.00 -3.19 -0.19 0.00 0.70 0.00 0.00 55.95 53.27 2feb s SER 44 Cb 0.00 -2.30 0.13 0.00 -1.71 0.00 0.00 66.02 62.14 2feb s SER 44 CO 0.00 -0.55 1.10 -0.04 1.20 0.00 0.00 173.24 174.96 2feb s MET 45 N 0.26 3.56 0.19 5.44 1.00 -1.26 -4.56 119.30 123.92 2feb s MET 45 Ca 0.35 -1.71 0.00 0.00 0.00 0.00 0.00 55.69 54.33 2feb s MET 45 Cb -0.07 -4.85 0.00 0.00 0.00 0.00 0.00 34.83 29.91 2feb s MET 45 CO -0.05 -1.76 0.00 0.25 0.00 0.00 0.00 175.02 173.46 2feb n THR 46 N 5.50 0.00 0.08 2.05 -2.24 -1.26 -4.98 114.28 113.43 2feb n THR 46 Ca 0.21 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.78 2feb n THR 46 Cb 0.49 -0.11 -0.14 0.00 -2.10 0.00 0.00 70.33 68.47 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 0.50 -2.00 -0.78 0.13 -2.00 -3.47 132.00 124.39 2feb h PRO 47 Ca 0.00 -0.73 -0.04 0.00 -0.87 0.00 0.00 66.00 64.36 2feb h PRO 47 Cb 0.00 0.25 -0.21 0.00 0.13 0.00 0.00 31.00 31.17 2feb h PRO 47 CO 0.00 1.33 0.12 -3.38 -0.23 0.00 0.00 178.00 175.84 2feb s HIS 48 N -2.79 -0.80 1.36 1.56 -3.43 -1.26 -4.88 115.29 105.04 2feb s HIS 48 Ca -0.11 1.94 -0.20 0.00 -0.80 0.00 0.00 55.06 55.90 2feb s HIS 48 Cb 0.04 0.29 0.35 0.00 -1.43 0.00 0.00 32.58 31.83 2feb s HIS 48 CO 0.90 -0.39 0.95 -1.58 -2.00 0.00 0.00 174.74 172.62 2feb s TRP 49 N 0.44 -0.03 0.13 0.38 0.52 -1.26 -4.77 118.94 114.36 2feb s TRP 49 Ca -0.01 0.79 0.01 0.00 0.02 0.00 0.00 56.10 56.91 2feb s TRP 49 Cb -0.05 -2.92 -0.00 0.00 -1.15 0.00 0.00 33.47 29.34 2feb s TRP 49 CO -0.00 -4.73 0.16 -2.39 0.02 0.00 0.00 176.95 170.01 2feb n HIS 50 N -5.48 -0.64 -0.38 -1.98 1.44 -1.26 -5.06 115.22 101.86 2feb n HIS 50 Ca 0.09 -0.98 -0.29 0.00 -2.01 0.00 0.00 57.72 54.53 2feb n HIS 50 Cb 0.58 0.18 0.27 0.00 0.12 0.00 0.00 29.99 31.14 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 -0.23 -4.37 -1.53 -1.40 -4.01 -1.26 -4.70 116.66 99.16 2feb n ARG 51 Ca 0.01 -1.43 -0.27 0.00 -1.04 0.00 0.00 57.85 55.12 2feb n ARG 51 Cb 0.23 -1.73 -0.12 0.00 -3.04 0.00 0.00 32.46 27.80 2feb n ARG 51 CO 0.00 0.00 0.00 2.89 -3.04 0.00 0.00 177.63 177.48 2feb n ARG 52 N -5.39 0.40 -0.74 2.89 1.85 -1.26 -4.87 116.66 109.53 2feb n ARG 52 Ca 0.13 -0.23 -0.33 0.00 -1.00 0.00 0.00 57.85 56.42 2feb n ARG 52 Cb 0.56 -2.43 0.14 0.00 -1.05 0.00 0.00 32.46 29.69 2feb n ARG 52 CO 0.00 0.00 0.00 0.44 -0.01 0.00 0.00 177.63 178.06 2feb n ILE 53 N 7.45 0.00 -0.19 8.89 -5.35 -1.26 -4.64 119.36 124.26 2feb n ILE 53 Ca 0.55 -0.22 -0.09 0.00 -0.27 0.00 0.00 62.75 62.71 2feb n ILE 53 Cb 0.29 -0.64 -0.02 0.00 -1.74 0.00 0.00 39.64 37.52 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 -2.02 0.00 0.00 6.28 -0.04 -1.26 -2.70 135.00 135.26 2feb n PRO 54 Ca 0.05 -0.52 0.00 0.00 -0.04 0.00 0.00 63.50 62.99 2feb n PRO 54 Cb 0.56 -1.95 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 5.45 0.00 -0.07 1.53 7.94 -1.26 -4.94 117.00 125.65 2feb n LEU 55 Ca 0.09 0.00 -0.22 0.00 -1.11 0.00 0.00 56.01 54.77 2feb n LEU 55 Cb 0.09 0.00 -0.12 0.00 0.53 0.00 0.00 43.42 43.92 2feb n LEU 55 CO 0.57 0.00 -0.80 -1.22 -1.11 0.00 0.00 177.39 174.83 2feb n TYR 56 N -1.10 0.93 -2.61 1.96 4.02 -1.10 -4.94 117.16 114.32 2feb n TYR 56 Ca 0.00 0.29 -0.32 0.00 -0.01 0.00 0.00 57.90 57.86 2feb n TYR 56 Cb 0.00 -1.11 -0.04 0.00 -0.02 0.00 0.00 39.34 38.17 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 -2.47 3.42 -0.57 -0.72 -0.85 -1.26 -4.91 117.35 109.99 2feb s TYR 57 Ca -0.28 1.41 -0.04 0.00 -0.52 0.00 0.00 57.07 57.64 2feb s TYR 57 Cb 0.07 -2.73 -0.04 0.00 0.38 0.00 0.00 41.96 39.65 2feb s TYR 57 CO 0.65 -0.24 1.74 -0.35 -1.52 0.00 0.00 175.55 175.84 2feb n PRO 58 N -1.26 1.36 -2.49 -3.49 -0.04 -1.26 -4.69 135.00 123.13 2feb n PRO 58 Ca 0.06 -1.08 -0.01 0.00 -0.04 0.00 0.00 63.50 62.42 2feb n PRO 58 Cb 0.54 -2.25 0.00 0.00 -0.04 0.00 0.00 33.50 31.75 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 4.32 -0.20 -0.22 3.54 3.02 -1.26 -4.76 115.26 119.71 2feb n ASN 59 Ca 0.29 -0.04 0.03 0.00 -0.03 0.00 0.00 54.58 54.83 2feb n ASN 59 Cb 0.11 -0.06 0.14 0.00 -0.61 0.00 0.00 39.78 39.35 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 0.97 0.81 0.00 5.41 0.00 -2.02 -3.45 119.26 120.99 2feb h ALA 60 Ca -0.03 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2feb h ALA 60 Cb 0.06 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2feb h ALA 60 CO 0.01 -0.31 0.00 0.41 0.00 0.00 0.00 179.25 179.37 2feb n GLY 61 N -1.33 0.35 3.72 0.00 0.00 -1.26 -5.11 105.19 101.55 2feb n GLY 61 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 4.37 -1.50 0.99 1.43 -1.26 -4.88 118.68 117.83 2feb s LEU 62 Ca 0.00 2.72 -0.13 0.00 -1.03 0.00 0.00 54.13 55.69 2feb s LEU 62 Cb 0.00 -3.59 0.01 0.00 0.03 0.00 0.00 46.19 42.63 2feb s LEU 62 CO 0.00 -0.89 2.41 0.35 0.23 0.00 0.00 176.35 178.45 2feb n THR 63 N 4.02 3.66 0.00 5.49 -2.24 -1.26 -4.87 114.28 119.08 2feb n THR 63 Ca 0.15 -2.89 0.00 0.00 -2.27 0.00 0.00 64.05 59.04 2feb n THR 63 Cb 0.37 -2.61 0.00 0.00 -2.10 0.00 0.00 70.33 65.99 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 5.47 0.00 -2.41 -0.78 1.74 -1.26 -1.14 116.66 118.28 2feb n ARG 64 Ca 0.59 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 57.51 2feb n ARG 64 Cb 0.35 0.00 0.03 0.00 -1.02 0.00 0.00 32.46 31.82 2feb n ARG 64 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 2feb n ASN 65 N 5.08 3.53 -4.45 0.55 6.94 -1.26 -2.45 115.26 123.21 2feb n ASN 65 Ca 0.00 -3.14 -0.43 0.00 -0.02 0.00 0.00 54.58 50.98 2feb n ASN 65 Cb 0.00 -0.42 -0.04 0.00 -2.36 0.00 0.00 39.78 36.95 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 -3.59 2.83 -0.41 -2.53 1.51 -0.29 -3.98 117.35 110.88 2feb s TYR 66 Ca 0.41 -0.53 -0.37 0.00 -1.01 0.00 0.00 57.07 55.57 2feb s TYR 66 Cb 0.39 -4.06 -0.16 0.00 -0.11 0.00 0.00 41.96 38.02 2feb s TYR 66 CO -0.03 -1.41 1.71 0.00 -1.11 0.00 0.00 175.55 174.71 2feb n ARG 68 N 5.81 0.46 -4.14 0.00 1.74 -1.26 -4.55 116.66 114.71 2feb n ARG 68 Ca 0.43 -2.38 -0.31 0.00 -0.77 0.00 0.00 57.85 54.82 2feb n ARG 68 Cb -0.04 2.14 -0.16 0.00 -1.02 0.00 0.00 32.46 33.38 2feb n ARG 68 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2feb s ASN 69 N -2.76 2.82 0.48 0.55 3.84 -1.26 -2.64 114.94 115.96 2feb s ASN 69 Ca 0.26 -0.53 0.23 0.00 0.21 0.00 0.00 52.86 53.03 2feb s ASN 69 Cb 0.00 -1.27 1.21 0.00 -0.55 0.00 0.00 41.25 40.64 2feb s ASN 69 CO 0.19 -0.02 1.99 1.55 -2.79 0.00 0.00 177.10 178.02 2feb h PRO 70 N 7.90 0.00 0.00 0.43 0.13 -2.00 -3.43 132.00 135.02 2feb h PRO 70 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2feb h PRO 70 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2feb h PRO 70 CO 0.56 0.18 0.00 -0.25 -0.23 0.00 0.00 178.00 178.26 2feb n ASP 71 N -3.76 0.00 -3.63 1.44 8.00 -1.26 -5.15 116.55 112.19 2feb n ASP 71 Ca -0.02 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.38 2feb n ASP 71 Cb 0.29 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.32 2feb n ASP 71 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2feb s ALA 72 N -2.07 -1.85 0.00 2.24 0.00 -1.26 -4.98 121.76 113.84 2feb s ALA 72 Ca 0.00 2.19 0.00 0.00 0.00 0.00 0.00 51.96 54.15 2feb s ALA 72 Cb 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 23.12 21.81 2feb s ALA 72 CO 0.00 -0.35 0.00 -1.91 0.00 0.00 0.00 175.76 173.50 2feb n GLU 73 N 3.35 0.00 -0.24 0.00 4.07 -1.26 -5.03 120.64 121.52 2feb n GLU 73 Ca -0.16 0.00 -0.00 0.00 -0.06 0.00 0.00 57.16 56.93 2feb n GLU 73 Cb 0.57 0.00 0.07 0.00 -0.06 0.00 0.00 31.44 32.01 2feb n GLU 73 CO 0.00 0.00 0.00 -0.84 -0.06 0.00 0.00 177.13 176.23 2feb h ILE 74 N 0.13 0.24 -3.88 6.31 3.07 -1.91 -3.38 117.51 118.09 2feb h ILE 74 Ca 0.00 0.00 -0.58 0.00 1.55 0.00 0.00 64.86 65.83 2feb h ILE 74 Cb 0.00 0.24 -0.31 0.00 -0.27 0.00 0.00 36.82 36.48 2feb h ILE 74 CO 0.00 0.00 -0.84 -0.60 -1.05 0.00 0.00 178.15 175.66 2feb s ARG 75 N -6.18 1.89 1.36 0.16 6.06 -1.26 -1.54 118.95 119.44 2feb s ARG 75 Ca -0.14 -0.64 -0.20 0.00 -2.50 0.00 0.00 55.73 52.25 2feb s ARG 75 Cb 0.20 -1.63 0.35 0.00 0.06 0.00 0.00 34.95 33.93 2feb s ARG 75 CO 0.74 0.25 0.95 -1.25 -2.50 0.00 0.00 175.30 173.48 2feb s PRO 76 N 0.05 -2.45 -0.24 5.12 0.04 -1.26 -4.95 135.00 131.31 2feb s PRO 76 Ca -0.05 0.35 -0.04 0.00 0.04 0.00 0.00 61.00 61.30 2feb s PRO 76 Cb -0.12 -1.42 0.09 0.00 0.04 0.00 0.00 34.50 33.09 2feb s PRO 76 CO 0.03 -4.61 0.14 -1.58 0.04 0.00 0.00 177.00 171.01 2feb s TRP 77 N -2.30 0.16 0.42 0.56 0.51 -1.08 -4.21 118.94 112.99 2feb s TRP 77 Ca 0.69 -0.51 0.04 0.00 -2.12 0.00 0.00 56.10 54.19 2feb s TRP 77 Cb -0.17 -0.74 -0.02 0.00 -0.81 0.00 0.00 33.47 31.73 2feb s TRP 77 CO 0.60 -0.70 0.12 0.00 -0.51 0.00 0.00 176.95 176.46 2feb n TYR 79 N -0.93 -0.17 -4.11 0.00 4.02 0.70 0.23 117.16 116.89 2feb n TYR 79 Ca -0.07 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.71 2feb n TYR 79 Cb 0.65 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.89 2feb n TYR 79 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 2feb s THR 80 N 0.95 0.02 -0.40 -0.72 -4.23 -1.21 -3.27 115.64 106.77 2feb s THR 80 Ca 0.00 -1.76 -0.03 0.00 -1.18 0.00 0.00 61.69 58.72 2feb s THR 80 Cb 0.00 -2.31 0.10 0.00 1.34 0.00 0.00 72.50 71.63 2feb s THR 80 CO 0.00 -0.07 2.56 0.80 -0.54 0.00 0.00 174.62 177.37 2feb n MET 81 N -0.28 2.20 -3.79 3.99 1.56 -1.26 -4.65 117.12 114.89 2feb n MET 81 Ca -0.01 -2.07 -0.13 0.00 -0.27 0.00 0.00 57.70 55.23 2feb n MET 81 Cb 0.64 -1.98 -0.12 0.00 2.15 0.00 0.00 33.22 33.92 2feb n MET 81 CO 0.00 0.00 0.00 0.34 -0.73 0.00 0.00 175.97 175.58 2feb s ASP 82 N 0.33 -0.23 -0.14 6.12 -1.08 -1.26 -4.94 116.67 115.46 2feb s ASP 82 Ca 0.51 0.45 -0.03 0.00 -0.52 0.00 0.00 52.55 52.96 2feb s ASP 82 Cb 0.34 0.46 -0.03 0.00 -1.46 0.00 0.00 42.92 42.22 2feb s ASP 82 CO -0.14 -0.08 2.65 -0.81 0.52 0.00 0.00 175.17 177.31 2feb n PRO 83 N 2.97 1.71 -0.95 4.34 -0.04 -1.26 -3.53 135.00 138.24 2feb n PRO 83 Ca -0.13 -1.02 -0.06 0.00 -0.04 0.00 0.00 63.50 62.25 2feb n PRO 83 Cb 0.58 -1.63 -0.06 0.00 -0.04 0.00 0.00 33.50 32.35 2feb n PRO 83 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2feb n SER 84 N 1.48 -0.91 0.00 3.54 2.88 -1.26 -5.03 113.62 114.32 2feb n SER 84 Ca 0.28 -1.90 0.00 0.00 -1.33 0.00 0.00 58.87 55.92 2feb n SER 84 Cb 0.66 0.27 0.00 0.00 -0.75 0.00 0.00 64.21 64.39 2feb n SER 84 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 2feb n VAL 85 N 0.00 0.00 -0.83 2.46 0.31 -1.23 -5.01 118.33 114.02 2feb n VAL 85 Ca -0.25 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 2feb n VAL 85 Cb 0.68 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.61 2feb n VAL 85 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2feb n ARG 86 N -1.65 -0.23 -3.64 5.55 3.00 -1.26 -4.92 116.66 113.51 2feb n ARG 86 Ca 0.00 0.06 -0.08 0.00 -0.01 0.00 0.00 57.85 57.82 2feb n ARG 86 Cb 0.00 -3.52 -0.07 0.00 0.00 0.00 0.00 32.46 28.87 2feb n ARG 86 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.63 177.17 2feb s TRP 87 N -2.38 -0.67 0.07 -1.55 -0.11 -1.26 -4.12 118.94 108.92 2feb s TRP 87 Ca 0.00 1.48 -0.26 0.00 1.22 0.00 0.00 56.10 58.54 2feb s TRP 87 Cb 0.00 0.40 0.07 0.00 -1.50 0.00 0.00 33.47 32.44 2feb s TRP 87 CO 0.00 -0.33 0.65 -1.21 -4.62 0.00 0.00 176.95 171.44 2feb s GLU 88 N 0.84 1.16 -0.52 5.86 0.41 0.14 -4.83 118.70 121.76 2feb s GLU 88 Ca -0.03 -0.18 -0.21 0.00 -0.41 0.00 0.00 54.97 54.14 2feb s GLU 88 Cb -0.05 0.54 0.05 0.00 -1.78 0.00 0.00 34.13 32.89 2feb s GLU 88 CO -0.10 -0.46 0.73 0.71 -0.49 0.00 0.00 175.26 175.65 2feb s TYR 89 N -2.71 2.96 0.00 1.61 1.51 -1.19 -3.21 117.35 116.33 2feb s TYR 89 Ca -0.03 -0.34 0.00 0.00 -1.01 0.00 0.00 57.07 55.69 2feb s TYR 89 Cb -0.01 -3.70 0.00 0.00 -0.11 0.00 0.00 41.96 38.14 2feb s TYR 89 CO -0.04 -1.13 0.00 0.00 -1.11 0.00 0.00 175.55 173.27 2feb n ASN 91 N -0.15 0.00 -4.82 0.00 2.04 -1.25 -0.90 115.26 110.18 2feb n ASN 91 Ca 0.00 0.00 -0.33 0.00 -0.44 0.00 0.00 54.58 53.81 2feb n ASN 91 Cb 0.00 0.00 -0.04 0.00 -2.53 0.00 0.00 39.78 37.21 2feb n ASN 91 CO 0.00 0.00 0.00 -0.76 -0.44 0.00 0.00 177.26 176.06 2feb s LEU 92 N 0.00 3.77 -0.02 -4.53 1.02 -1.22 0.39 118.68 118.09 2feb s LEU 92 Ca 0.00 1.68 -0.07 0.00 0.02 0.00 0.00 54.13 55.76 2feb s LEU 92 Cb 0.00 -4.53 0.01 0.00 0.02 0.00 0.00 46.19 41.69 2feb s LEU 92 CO 0.00 -0.57 0.14 0.42 0.02 0.00 0.00 176.35 176.36 2feb s THR 93 N -2.36 0.06 -0.23 5.49 -4.23 0.21 -4.43 115.64 110.15 2feb s THR 93 Ca 0.62 -0.46 -0.28 0.00 -1.18 0.00 0.00 61.69 60.38 2feb s THR 93 Cb -0.11 -0.36 -0.04 0.00 1.34 0.00 0.00 72.50 73.32 2feb s THR 93 CO 0.23 -0.26 2.09 -0.13 -0.54 0.00 0.00 174.62 176.01 2feb s ARG 94 N -0.90 3.25 -0.30 3.99 3.00 -1.26 0.43 118.95 127.17 2feb s ARG 94 Ca -0.10 1.91 -0.19 0.00 0.00 0.00 0.00 55.73 57.35 2feb s ARG 94 Cb -0.05 -4.31 -0.01 0.00 0.00 0.00 0.00 34.95 30.57 2feb s ARG 94 CO 0.01 -1.96 0.56 0.00 0.00 0.00 0.00 175.30 173.91 2feb s PRO 96 N 2.45 2.62 -0.21 0.00 0.04 -1.26 -4.86 135.00 133.78 2feb s PRO 96 Ca 0.22 -0.28 -0.28 0.00 0.04 0.00 0.00 61.00 60.70 2feb s PRO 96 Cb -0.15 -5.04 0.14 0.00 0.04 0.00 0.00 34.50 29.49 2feb s PRO 96 CO 0.11 -3.27 1.07 0.54 0.04 0.00 0.00 177.00 175.49 2feb s VAL 97 N 9.73 0.00 0.49 -0.36 0.11 -1.26 -5.18 120.40 123.92 2feb s VAL 97 Ca 0.68 0.00 0.08 0.00 -2.93 0.00 0.00 61.98 59.82 2feb s VAL 97 Cb -0.07 -1.00 0.04 0.00 -1.53 0.00 0.00 36.38 33.82 2feb s VAL 97 CO 0.00 0.00 0.62 -0.89 -3.33 0.00 0.00 175.10 171.50 2feb s THR 98 N -0.69 2.53 0.31 5.04 2.01 -1.26 -5.14 115.64 118.44 2feb s THR 98 Ca 0.01 -1.07 -0.00 0.00 0.31 0.00 0.00 61.69 60.94 2feb s THR 98 Cb -0.02 -2.60 -0.01 0.00 0.01 0.00 0.00 72.50 69.87 2feb s THR 98 CO -0.02 0.00 0.37 -1.61 -0.69 0.00 0.00 174.62 172.66 2feb s GLU 99 N -4.44 1.74 0.02 4.92 0.41 -1.26 -5.19 118.70 114.89 2feb s GLU 99 Ca 0.55 -1.78 -0.00 0.00 -0.41 0.00 0.00 54.97 53.33 2feb s GLU 99 Cb -0.07 0.39 0.00 0.00 -1.78 0.00 0.00 34.13 32.67 2feb s GLU 99 CO 0.34 -0.68 0.03 0.45 -0.49 0.00 0.00 175.26 174.91 2feb n SER 100 N -1.21 -0.08 -1.47 -0.19 2.88 -1.26 -5.15 113.62 107.14 2feb n SER 100 Ca 0.03 -1.08 0.18 0.00 -1.33 0.00 0.00 58.87 56.67 2feb n SER 100 Cb 0.62 0.14 -0.10 0.00 -0.75 0.00 0.00 64.21 64.13 2feb n SER 100 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2feb n SER 101 N -1.49 -7.99 -0.34 -3.46 2.88 -1.26 -5.36 113.62 96.61 2feb n SER 101 Ca -0.00 1.48 0.15 0.00 -1.33 0.00 0.00 58.87 59.16 2feb n SER 101 Cb 0.03 -5.05 0.65 0.00 -0.75 0.00 0.00 64.21 59.08 2feb n SER 101 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33