#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 -3.53 -2.41 6.28 2.13 -1.26 -4.83 120.64 117.03 2feb n GLU 2 Ca 0.00 2.86 -0.38 0.00 0.66 0.00 0.00 57.16 60.30 2feb n GLU 2 Cb 0.00 -3.96 -0.03 0.00 0.27 0.00 0.00 31.44 27.72 2feb n GLU 2 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 2feb s GLY 3 N -6.92 2.82 0.00 8.31 0.00 -1.26 -4.93 107.32 105.34 2feb s GLY 3 Ca 0.00 0.85 0.00 0.00 0.00 0.00 0.00 44.72 45.57 2feb s GLY 3 CO 0.00 1.32 0.00 -2.13 0.00 0.00 0.00 173.10 172.29 2feb n ARG 4 N 0.03 0.00 -1.56 2.90 0.63 -1.26 -5.02 116.66 112.38 2feb n ARG 4 Ca 0.05 0.00 -0.29 0.00 -0.92 0.00 0.00 57.85 56.68 2feb n ARG 4 Cb 0.48 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 33.33 2feb n ARG 4 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 2feb n HIS 5 N 0.00 1.70 -3.71 -0.14 8.25 -1.26 -4.20 115.22 115.85 2feb n HIS 5 Ca 0.00 -2.17 -0.06 0.00 -0.26 0.00 0.00 57.72 55.23 2feb n HIS 5 Cb 0.00 -1.57 0.02 0.00 1.12 0.00 0.00 29.99 29.56 2feb n HIS 5 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 2feb n MET 6 N 1.40 0.86 -2.74 -0.41 2.81 -1.26 -5.09 117.12 112.70 2feb n MET 6 Ca 0.53 -1.74 -0.18 0.00 -1.81 0.00 0.00 57.70 54.50 2feb n MET 6 Cb 0.50 2.20 0.00 0.00 -0.71 0.00 0.00 33.22 35.22 2feb n MET 6 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2feb n ALA 7 N -0.97 3.83 0.25 3.04 0.00 -1.26 -4.28 120.51 121.12 2feb n ALA 7 Ca -0.14 -3.75 -0.15 0.00 0.00 0.00 0.00 53.44 49.41 2feb n ALA 7 Cb 0.50 -0.79 -0.08 0.00 0.00 0.00 0.00 19.45 19.08 2feb n ALA 7 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2feb h PRO 8 N 2.87 -0.60 -0.67 0.00 0.13 -1.94 -3.43 132.00 128.36 2feb h PRO 8 Ca 0.08 0.04 -0.14 0.00 -0.87 0.00 0.00 66.00 65.11 2feb h PRO 8 Cb 0.97 0.14 -0.15 0.00 0.13 0.00 0.00 31.00 32.09 2feb h PRO 8 CO 0.65 -0.32 -0.43 2.41 -0.23 0.00 0.00 178.00 180.08 2feb n THR 9 N -5.29 0.00 -3.87 1.56 -1.04 -1.26 -4.83 114.28 99.55 2feb n THR 9 Ca -0.11 -0.99 0.00 0.00 -2.04 0.00 0.00 64.05 60.91 2feb n THR 9 Cb 0.29 1.05 0.00 0.00 -1.82 0.00 0.00 70.33 69.85 2feb n THR 9 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 2feb n GLU 10 N 2.60 0.00 0.00 -2.82 0.28 -1.26 -4.68 120.64 114.76 2feb n GLU 10 Ca 0.15 0.00 0.13 0.00 -0.16 0.00 0.00 57.16 57.28 2feb n GLU 10 Cb 0.59 0.00 0.73 0.00 1.43 0.00 0.00 31.44 34.19 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 -0.13 0.00 -1.75 -1.84 5.15 -1.26 -4.91 115.26 110.52 2feb n ASN 11 Ca 0.00 -0.56 0.00 0.00 -0.60 0.00 0.00 54.58 53.42 2feb n ASN 11 Cb 0.00 -0.10 0.00 0.00 -0.53 0.00 0.00 39.78 39.15 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 -1.10 -8.09 -2.52 1.20 3.41 -1.26 -4.39 113.62 100.86 2feb n SER 12 Ca 0.17 1.16 -0.07 0.00 -0.26 0.00 0.00 58.87 59.88 2feb n SER 12 Cb 0.13 -4.36 -0.00 0.00 -0.26 0.00 0.00 64.21 59.72 2feb n SER 12 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 2feb n THR 13 N 1.17 -0.28 -3.25 6.66 5.66 -1.26 -4.86 114.28 118.12 2feb n THR 13 Ca 0.00 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 60.96 2feb n THR 13 Cb 0.00 -0.82 -0.04 0.00 -1.55 0.00 0.00 70.33 67.91 2feb n THR 13 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2feb s GLY 14 N -2.05 -0.77 0.33 1.09 0.00 -1.26 -5.11 107.32 99.55 2feb s GLY 14 Ca 0.02 0.87 -0.09 0.00 0.00 0.00 0.00 44.72 45.52 2feb s GLY 14 CO 0.03 3.16 0.59 3.33 0.00 0.00 0.00 173.10 180.21 2feb n VAL 15 N 5.38 0.00 0.00 1.40 0.24 -1.26 -4.13 118.33 119.97 2feb n VAL 15 Ca 0.00 -1.11 0.00 0.00 -2.04 0.00 0.00 64.34 61.19 2feb n VAL 15 Cb 0.51 0.89 0.00 0.00 -1.47 0.00 0.00 33.84 33.77 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 -0.48 0.00 -1.04 7.34 10.64 -1.26 -5.01 117.38 127.57 2feb n GLN 16 Ca -0.05 0.00 -0.30 0.00 -1.83 0.00 0.00 57.00 54.82 2feb n GLN 16 Cb 0.51 0.00 0.14 0.00 -0.86 0.00 0.00 30.24 30.03 2feb n GLN 16 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 2feb s ASP 17 N 2.00 3.53 0.17 2.61 -1.08 -1.26 -4.87 116.67 117.78 2feb s ASP 17 Ca 0.00 1.81 0.04 0.00 -0.52 0.00 0.00 52.55 53.88 2feb s ASP 17 Cb 0.00 -2.43 -0.04 0.00 -1.46 0.00 0.00 42.92 39.00 2feb s ASP 17 CO 0.00 -2.65 0.21 0.00 0.52 0.00 0.00 175.17 173.25 2feb s TYR 19 N -1.80 2.34 -0.25 0.00 -0.85 0.19 -4.23 117.35 112.76 2feb s TYR 19 Ca 0.33 -0.70 -0.26 0.00 -0.52 0.00 0.00 57.07 55.92 2feb s TYR 19 Cb -0.10 -1.87 0.07 0.00 0.38 0.00 0.00 41.96 40.44 2feb s TYR 19 CO 0.26 0.15 0.72 1.03 -1.52 0.00 0.00 175.55 176.19 2feb s ARG 20 N -3.92 0.86 7.08 -3.49 0.52 -1.26 -4.31 118.95 114.43 2feb s ARG 20 Ca 0.33 0.93 0.00 0.00 -0.52 0.00 0.00 55.73 56.47 2feb s ARG 20 Cb 0.04 0.42 0.00 0.00 0.52 0.00 0.00 34.95 35.92 2feb s ARG 20 CO 0.18 -0.12 0.00 0.41 0.02 0.00 0.00 175.30 175.79 2feb n GLY 21 N 2.52 1.66 2.13 -3.53 0.00 -1.26 -3.08 105.19 103.63 2feb n GLY 21 Ca -0.14 -0.49 -0.24 0.00 0.00 0.00 0.00 46.02 45.15 2feb n GLY 21 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2feb n ASP 22 N 7.66 4.75 0.00 1.61 5.75 -1.26 -4.92 116.55 130.14 2feb n ASP 22 Ca 0.00 -3.48 0.00 0.00 -0.01 0.00 0.00 54.79 51.30 2feb n ASP 22 Cb 0.00 -0.86 0.00 0.00 -1.03 0.00 0.00 41.12 39.23 2feb n ASP 22 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2feb n GLY 23 N -0.86 1.98 0.28 6.12 0.00 -1.13 -3.70 105.19 107.88 2feb n GLY 23 Ca 0.54 -0.03 0.15 0.00 0.00 0.00 0.00 46.02 46.68 2feb n GLY 23 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 2feb h GLN 24 N 0.00 0.00 -7.02 1.61 -0.00 -1.82 -3.40 115.11 104.48 2feb h GLN 24 Ca 0.00 0.00 -0.60 0.00 -0.00 0.00 0.00 58.65 58.05 2feb h GLN 24 Cb 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 27.48 27.19 2feb h GLN 24 CO 0.00 0.06 -0.90 0.45 -0.00 0.00 0.00 178.83 178.44 2feb n SER 25 N -3.61 -1.76 0.00 0.06 2.88 -1.24 -3.69 113.62 106.26 2feb n SER 25 Ca -0.02 -1.17 0.00 0.00 -1.33 0.00 0.00 58.87 56.35 2feb n SER 25 Cb 0.17 -2.01 0.00 0.00 -0.75 0.00 0.00 64.21 61.61 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 -4.25 0.00 -0.08 0.66 4.01 -1.26 -4.69 117.16 111.55 2feb n TYR 26 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 2feb n TYR 26 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.54 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 0.00 -0.72 -1.27 -0.72 1.74 -1.24 -4.92 116.66 109.53 2feb n ARG 27 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2feb n ARG 27 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 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 0.66 -4.25 2.70 -0.13 0.00 -1.26 -4.90 105.19 98.00 2feb n GLY 28 Ca 0.00 -0.47 -0.30 0.00 0.00 0.00 0.00 46.02 45.25 2feb n GLY 28 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2feb s THR 29 N -0.22 1.26 -0.05 2.61 -4.23 -1.26 -4.93 115.64 108.82 2feb s THR 29 Ca 0.00 -2.36 0.13 0.00 -1.18 0.00 0.00 61.69 58.28 2feb s THR 29 Cb 0.00 -1.89 -0.22 0.00 1.34 0.00 0.00 72.50 71.73 2feb s THR 29 CO 0.00 -0.87 0.68 0.18 -0.54 0.00 0.00 174.62 174.07 2feb n LEU 30 N 3.74 0.88 -3.51 4.79 4.77 -1.26 -5.00 117.00 121.42 2feb n LEU 30 Ca 0.08 0.42 -0.19 0.00 -0.03 0.00 0.00 56.01 56.28 2feb n LEU 30 Cb 0.35 0.16 0.08 0.00 -2.33 0.00 0.00 43.42 41.68 2feb n LEU 30 CO 0.22 0.36 0.11 -0.24 -1.33 0.00 0.00 177.39 176.52 2feb n SER 31 N -3.03 -2.76 -2.66 -1.43 2.88 -1.26 -4.92 113.62 100.43 2feb n SER 31 Ca -0.16 -0.63 -0.14 0.00 -1.33 0.00 0.00 58.87 56.60 2feb n SER 31 Cb 1.03 -4.95 -0.06 0.00 -0.75 0.00 0.00 64.21 59.49 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 -4.32 0.00 0.00 2.46 -1.04 -1.26 -4.26 114.28 105.86 2feb n THR 32 Ca -0.23 -1.79 0.00 0.00 -2.04 0.00 0.00 64.05 59.99 2feb n THR 32 Cb 0.65 0.91 0.00 0.00 -1.82 0.00 0.00 70.33 70.07 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 -0.47 0.00 0.00 12.58 -2.24 0.50 -4.37 114.28 120.27 2feb n THR 33 Ca 0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 2feb n THR 33 Cb 0.45 -0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 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 -0.27 0.00 -2.66 2.28 0.13 -1.19 0.67 119.36 118.32 2feb n ILE 34 Ca 0.00 0.00 -0.09 0.00 -1.10 0.00 0.00 62.75 61.56 2feb n ILE 34 Cb 0.00 -0.30 0.03 0.00 -0.84 0.00 0.00 39.64 38.53 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 -1.25 1.31 0.00 9.51 -1.04 -1.26 -4.66 114.28 116.89 2feb n THR 35 Ca 0.00 -3.27 0.00 0.00 -2.04 0.00 0.00 64.05 58.74 2feb n THR 35 Cb 0.18 0.57 0.00 0.00 -1.82 0.00 0.00 70.33 69.25 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 -0.31 2.90 3.70 3.41 0.00 -1.26 -5.03 105.19 108.60 2feb n GLY 36 Ca 0.13 -0.55 -0.44 0.00 0.00 0.00 0.00 46.02 45.16 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 0.00 2.34 -0.03 1.61 1.74 -1.26 -4.55 116.66 116.51 2feb n ARG 37 Ca 0.00 0.84 0.00 0.00 -0.77 0.00 0.00 57.85 57.92 2feb n ARG 37 Cb 0.00 -2.58 0.00 0.00 -1.02 0.00 0.00 32.46 28.86 2feb n ARG 37 CO 0.00 0.00 0.00 -2.37 -1.52 0.00 0.00 177.63 173.74 2feb n THR 38 N 2.57 0.00 -3.95 0.55 5.66 -1.26 0.19 114.28 118.03 2feb n THR 38 Ca 0.12 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.82 2feb n THR 38 Cb 0.33 -1.85 -0.14 0.00 -1.55 0.00 0.00 70.33 67.11 2feb n THR 38 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2feb n GLN 40 N 3.31 0.00 -1.22 0.00 1.13 -1.25 -4.16 117.38 115.19 2feb n GLN 40 Ca 0.05 0.00 -0.37 0.00 -1.94 0.00 0.00 57.00 54.74 2feb n GLN 40 Cb 0.34 -0.48 0.06 0.00 0.11 0.00 0.00 30.24 30.27 2feb n GLN 40 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2feb n SER 41 N 0.54 -2.22 -0.06 1.08 2.88 -1.26 -4.75 113.62 109.84 2feb n SER 41 Ca 0.07 0.55 0.14 0.00 -1.33 0.00 0.00 58.87 58.30 2feb n SER 41 Cb 0.04 -1.10 0.82 0.00 -0.75 0.00 0.00 64.21 63.22 2feb n SER 41 CO 0.00 0.00 0.00 0.79 -1.23 0.00 0.00 175.04 174.60 2feb n TRP 42 N -2.27 0.01 -0.85 0.66 7.02 -1.22 -3.28 117.44 117.50 2feb n TRP 42 Ca 0.08 -0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.56 2feb n TRP 42 Cb 0.50 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.39 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 -0.82 0.29 -4.48 -0.99 2.88 -1.26 -4.18 113.62 105.05 2feb n SER 43 Ca 0.21 -1.14 -0.43 0.00 -1.33 0.00 0.00 58.87 56.18 2feb n SER 43 Cb 0.13 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.57 2feb n SER 43 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2feb s SER 44 N -0.14 6.72 -0.98 -3.46 1.04 -1.21 -4.95 113.70 110.73 2feb s SER 44 Ca 0.00 -2.20 -0.16 0.00 0.48 0.00 0.00 55.95 54.07 2feb s SER 44 Cb 0.00 -2.43 0.17 0.00 0.10 0.00 0.00 66.02 63.86 2feb s SER 44 CO 0.00 -1.06 1.11 -0.04 0.98 0.00 0.00 173.24 174.23 2feb s MET 45 N 2.83 3.75 0.17 4.02 -1.94 -1.26 -4.57 119.30 122.30 2feb s MET 45 Ca 0.38 -2.19 0.00 0.00 -1.71 0.00 0.00 55.69 52.17 2feb s MET 45 Cb -0.03 -4.81 0.00 0.00 2.01 0.00 0.00 34.83 32.00 2feb s MET 45 CO -0.06 -1.62 0.00 0.25 -0.01 0.00 0.00 175.02 173.57 2feb n THR 46 N 4.77 0.00 -0.03 2.05 -2.24 -1.26 -4.99 114.28 112.58 2feb n THR 46 Ca 0.24 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.87 2feb n THR 46 Cb 0.47 -0.10 -0.12 0.00 -2.10 0.00 0.00 70.33 68.48 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 0.15 -1.99 -0.78 0.13 -1.97 -3.47 132.00 124.06 2feb h PRO 47 Ca 0.00 -0.16 -0.05 0.00 -0.87 0.00 0.00 66.00 64.92 2feb h PRO 47 Cb 0.00 0.05 -0.20 0.00 0.13 0.00 0.00 31.00 30.98 2feb h PRO 47 CO 0.00 0.91 0.17 -3.38 -0.23 0.00 0.00 178.00 175.47 2feb s HIS 48 N -3.08 -0.72 0.98 1.56 -3.43 -1.26 -4.95 115.29 104.39 2feb s HIS 48 Ca -0.16 1.53 -0.14 0.00 -0.80 0.00 0.00 55.06 55.49 2feb s HIS 48 Cb 0.01 0.34 0.04 0.00 -1.43 0.00 0.00 32.58 31.53 2feb s HIS 48 CO 0.73 -0.48 0.30 0.91 -2.00 0.00 0.00 174.74 174.20 2feb n TRP 49 N 1.83 -1.58 0.00 0.38 7.02 -1.26 -4.79 117.44 119.04 2feb n TRP 49 Ca -0.16 0.21 0.00 0.00 -1.02 0.00 0.00 57.50 56.53 2feb n TRP 49 Cb 0.56 -1.74 0.00 0.00 -2.42 0.00 0.00 31.31 27.71 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 -3.69 0.00 -2.54 -5.99 1.44 -1.26 -5.03 115.22 98.14 2feb n HIS 50 Ca 0.05 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.76 2feb n HIS 50 Cb 0.55 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.66 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 -1.06 0.00 -1.50 -1.40 1.85 -1.26 -4.98 116.66 108.31 2feb n ARG 51 Ca 0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 57.85 56.71 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 0.29 -0.66 2.89 3.00 -1.26 -4.88 116.66 116.04 2feb n ARG 52 Ca 0.00 -0.78 -0.31 0.00 -0.01 0.00 0.00 57.85 56.75 2feb n ARG 52 Cb 0.00 -2.95 0.18 0.00 0.00 0.00 0.00 32.46 29.69 2feb n ARG 52 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.63 178.07 2feb n ILE 53 N 7.80 0.00 -0.33 0.55 -5.35 -1.26 -4.64 119.36 116.13 2feb n ILE 53 Ca 0.46 -0.21 -0.15 0.00 -0.27 0.00 0.00 62.75 62.58 2feb n ILE 53 Cb 0.38 -0.83 -0.04 0.00 -1.74 0.00 0.00 39.64 37.42 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 -3.34 0.00 0.00 6.28 -0.04 -1.26 -2.61 135.00 134.03 2feb n PRO 54 Ca 0.06 -0.55 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 5.83 0.00 -0.09 1.53 0.00 -1.26 -4.95 117.00 118.06 2feb n LEU 55 Ca 0.15 0.00 -0.23 0.00 0.00 0.00 0.00 56.01 55.93 2feb n LEU 55 Cb 0.16 0.00 -0.12 0.00 0.00 0.00 0.00 43.42 43.46 2feb n LEU 55 CO 0.64 0.00 -0.90 -1.22 0.00 0.00 0.00 177.39 175.91 2feb n TYR 56 N -1.07 0.72 -2.40 1.96 4.02 -1.07 -4.95 117.16 114.36 2feb n TYR 56 Ca 0.00 0.25 -0.32 0.00 -0.01 0.00 0.00 57.90 57.82 2feb n TYR 56 Cb 0.00 -1.08 -0.03 0.00 -0.02 0.00 0.00 39.34 38.21 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 -2.46 3.45 -0.56 -0.72 -0.85 -1.26 -4.91 117.35 110.04 2feb s TYR 57 Ca -0.31 1.47 -0.04 0.00 -0.52 0.00 0.00 57.07 57.68 2feb s TYR 57 Cb 0.09 -2.79 -0.05 0.00 0.38 0.00 0.00 41.96 39.58 2feb s TYR 57 CO 0.61 -0.37 1.81 -0.35 -1.52 0.00 0.00 175.55 175.73 2feb n PRO 58 N -1.57 1.41 -2.45 -3.49 -0.04 -1.26 -4.70 135.00 122.91 2feb n PRO 58 Ca 0.07 -1.07 -0.01 0.00 -0.04 0.00 0.00 63.50 62.44 2feb n PRO 58 Cb 0.54 -2.23 0.00 0.00 -0.04 0.00 0.00 33.50 31.77 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 4.16 -0.23 0.00 3.54 3.02 -1.26 -4.85 115.26 119.64 2feb n ASN 59 Ca 0.30 -0.04 0.00 0.00 -0.03 0.00 0.00 54.58 54.81 2feb n ASN 59 Cb 0.14 -0.08 0.00 0.00 -0.61 0.00 0.00 39.78 39.23 2feb n ASN 59 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2feb n ALA 60 N -0.55 0.00 0.00 5.41 0.00 -1.26 -4.94 120.51 119.17 2feb n ALA 60 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2feb n ALA 60 Cb 0.03 0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.53 2feb n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2feb n GLY 61 N -0.55 0.00 3.60 0.00 0.00 -1.26 -5.11 105.19 101.86 2feb n GLY 61 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.55 2feb n GLY 61 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2feb n LEU 62 N 0.00 3.09 -3.42 0.99 4.77 -1.26 -4.82 117.00 116.35 2feb n LEU 62 Ca 0.00 0.60 -0.39 0.00 -0.03 0.00 0.00 56.01 56.19 2feb n LEU 62 Cb 0.00 -1.40 -0.02 0.00 -2.33 0.00 0.00 43.42 39.66 2feb n LEU 62 CO 0.00 -0.40 3.17 0.41 -1.33 0.00 0.00 177.39 179.24 2feb n THR 63 N 6.46 3.98 0.00 -5.08 -1.04 -1.26 -4.89 114.28 112.45 2feb n THR 63 Ca 0.29 -2.62 0.00 0.00 -2.04 0.00 0.00 64.05 59.68 2feb n THR 63 Cb 0.33 -2.59 0.00 0.00 -1.82 0.00 0.00 70.33 66.25 2feb n THR 63 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2feb n ARG 64 N 4.30 0.00 -0.73 -2.82 3.00 -1.26 -3.76 116.66 115.39 2feb n ARG 64 Ca 0.70 0.00 0.05 0.00 -0.01 0.00 0.00 57.85 58.59 2feb n ARG 64 Cb 0.27 0.00 0.11 0.00 0.00 0.00 0.00 32.46 32.84 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 8.43 1.35 -4.62 0.55 6.94 -1.26 -3.44 115.26 123.21 2feb n ASN 65 Ca 0.00 -2.88 -0.43 0.00 -0.02 0.00 0.00 54.58 51.25 2feb n ASN 65 Cb 0.00 -0.39 -0.03 0.00 -2.36 0.00 0.00 39.78 37.00 2feb n ASN 65 CO 0.00 0.00 0.00 -0.72 -1.03 0.00 0.00 177.26 175.51 2feb s TYR 66 N -1.71 3.11 0.11 -2.53 1.13 -1.25 -2.60 117.35 113.63 2feb s TYR 66 Ca 0.29 1.02 -0.08 0.00 -1.41 0.00 0.00 57.07 56.89 2feb s TYR 66 Cb 0.30 -3.68 -0.05 0.00 -1.10 0.00 0.00 41.96 37.42 2feb s TYR 66 CO -0.07 -0.80 0.07 0.00 -2.51 0.00 0.00 175.55 172.25 2feb n ARG 68 N 0.41 -2.50 -4.65 0.00 1.85 -1.26 -4.56 116.66 105.96 2feb n ARG 68 Ca 0.04 0.00 -0.33 0.00 -1.00 0.00 0.00 57.85 56.57 2feb n ARG 68 Cb 0.12 0.00 -0.16 0.00 -1.05 0.00 0.00 32.46 31.37 2feb n ARG 68 CO 0.00 0.00 0.00 1.21 -0.01 0.00 0.00 177.63 178.83 2feb s ASN 69 N -1.02 3.33 0.55 2.89 3.84 -1.26 -3.66 114.94 119.60 2feb s ASN 69 Ca 0.00 -0.55 0.32 0.00 0.21 0.00 0.00 52.86 52.84 2feb s ASN 69 Cb 0.00 -1.49 1.51 0.00 -0.55 0.00 0.00 41.25 40.72 2feb s ASN 69 CO 0.00 0.09 2.06 1.55 -2.79 0.00 0.00 177.10 178.00 2feb h PRO 70 N 7.27 0.00 0.00 0.43 0.13 -2.00 -3.42 132.00 134.41 2feb h PRO 70 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 2feb h PRO 70 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2feb h PRO 70 CO 0.55 0.07 0.00 -0.25 -0.23 0.00 0.00 178.00 178.15 2feb n ASP 71 N -3.31 0.00 0.00 1.44 8.00 -1.26 -5.16 116.55 116.26 2feb n ASP 71 Ca -0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.49 2feb n ASP 71 Cb 0.26 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.36 2feb n ASP 71 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2feb n ALA 72 N -1.30 0.00 0.00 2.24 0.00 -1.26 -5.06 120.51 115.12 2feb n ALA 72 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2feb n ALA 72 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2feb n ALA 72 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2feb n GLU 73 N 0.00 0.00 -0.19 0.00 4.07 -1.26 -4.82 120.64 118.44 2feb n GLU 73 Ca 0.00 0.00 -0.03 0.00 -0.06 0.00 0.00 57.16 57.07 2feb n GLU 73 Cb 0.00 0.00 0.07 0.00 -0.06 0.00 0.00 31.44 31.45 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 0.00 0.96 -4.19 6.31 3.07 -1.92 -3.37 117.51 118.37 2feb h ILE 74 Ca 0.00 -0.20 -0.48 0.00 1.55 0.00 0.00 64.86 65.73 2feb h ILE 74 Cb 0.00 0.33 -0.29 0.00 -0.27 0.00 0.00 36.82 36.60 2feb h ILE 74 CO 0.00 0.10 -0.81 -0.13 -1.05 0.00 0.00 178.15 176.26 2feb s ARG 75 N -6.12 1.13 1.13 0.16 0.52 -1.26 -2.86 118.95 111.66 2feb s ARG 75 Ca -0.13 -0.55 -0.19 0.00 -0.52 0.00 0.00 55.73 54.35 2feb s ARG 75 Cb 0.15 -1.10 0.29 0.00 0.52 0.00 0.00 34.95 34.81 2feb s ARG 75 CO 0.75 0.30 0.75 -0.35 0.02 0.00 0.00 175.30 176.76 2feb n PRO 76 N 2.62 -3.91 -3.18 3.54 -0.04 -1.26 -4.99 135.00 127.78 2feb n PRO 76 Ca -0.15 -1.24 0.02 0.00 -0.04 0.00 0.00 63.50 62.10 2feb n PRO 76 Cb 0.55 -1.47 -0.01 0.00 -0.04 0.00 0.00 33.50 32.54 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 -2.08 -1.73 0.05 0.54 1.48 -1.24 -4.44 118.94 111.53 2feb s TRP 77 Ca 0.55 0.51 0.00 0.00 -1.06 0.00 0.00 56.10 56.09 2feb s TRP 77 Cb -0.08 0.31 -0.03 0.00 -1.16 0.00 0.00 33.47 32.50 2feb s TRP 77 CO 0.45 -1.12 -0.04 0.00 -4.06 0.00 0.00 176.95 172.18 2feb n TYR 79 N 0.56 0.00 -3.63 0.00 4.01 -1.26 -1.67 117.16 115.16 2feb n TYR 79 Ca -0.17 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.47 2feb n TYR 79 Cb 0.59 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.59 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 0.00 0.02 0.65 -0.72 -4.23 -1.22 -3.86 115.64 106.28 2feb s THR 80 Ca 0.00 -0.52 0.39 0.00 -1.18 0.00 0.00 61.69 60.39 2feb s THR 80 Cb 0.00 -1.39 0.41 0.00 1.34 0.00 0.00 72.50 72.86 2feb s THR 80 CO 0.00 -0.08 2.26 -0.03 -0.54 0.00 0.00 174.62 176.23 2feb h MET 81 N 2.12 0.00 -5.55 3.99 4.05 -1.89 -3.35 114.93 114.30 2feb h MET 81 Ca -0.30 0.00 -0.60 0.00 -0.28 0.00 0.00 59.70 58.52 2feb h MET 81 Cb 1.28 0.00 -0.11 0.00 -0.80 0.00 0.00 31.60 31.97 2feb h MET 81 CO 0.37 0.00 0.03 -0.51 0.23 0.00 0.00 176.91 177.02 2feb s ASP 82 N -5.19 6.59 0.00 1.39 1.11 -1.26 -4.94 116.67 114.36 2feb s ASP 82 Ca -0.05 0.71 0.15 0.00 0.18 0.00 0.00 52.55 53.54 2feb s ASP 82 Cb 0.13 -2.31 0.80 0.00 1.07 0.00 0.00 42.92 42.60 2feb s ASP 82 CO 0.41 -0.23 1.40 -0.81 1.18 0.00 0.00 175.17 177.12 2feb n PRO 83 N 5.02 0.27 -0.89 8.23 -0.04 -1.26 -3.07 135.00 143.26 2feb n PRO 83 Ca -0.03 0.11 -0.18 0.00 -0.04 0.00 0.00 63.50 63.36 2feb n PRO 83 Cb 0.50 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.58 2feb n PRO 83 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2feb n SER 84 N -1.22 3.85 0.04 3.54 3.41 -1.26 -4.43 113.62 117.55 2feb n SER 84 Ca 0.08 -3.16 0.00 0.00 -0.26 0.00 0.00 58.87 55.53 2feb n SER 84 Cb 0.11 -0.77 0.00 0.00 -0.26 0.00 0.00 64.21 63.29 2feb n SER 84 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2feb n VAL 85 N -0.63 0.20 0.00 -3.33 0.31 -1.18 -5.02 118.33 108.68 2feb n VAL 85 Ca 0.43 0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.82 2feb n VAL 85 Cb 1.27 -0.64 0.00 0.00 -0.91 0.00 0.00 33.84 33.56 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 -2.86 0.00 -3.64 5.55 1.74 -1.26 -4.89 116.66 111.31 2feb n ARG 86 Ca 0.00 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.97 2feb n ARG 86 Cb 0.00 -0.19 -0.07 0.00 -1.02 0.00 0.00 32.46 31.18 2feb n ARG 86 CO 0.00 0.00 0.00 -0.46 -1.52 0.00 0.00 177.63 175.65 2feb s TRP 87 N -0.94 -0.58 0.07 -1.55 -0.11 -1.26 -4.42 118.94 110.15 2feb s TRP 87 Ca 0.00 1.41 -0.26 0.00 1.22 0.00 0.00 56.10 58.47 2feb s TRP 87 Cb 0.00 0.33 0.08 0.00 -1.50 0.00 0.00 33.47 32.39 2feb s TRP 87 CO 0.00 -0.28 0.71 -1.21 -4.62 0.00 0.00 176.95 171.55 2feb s GLU 88 N 0.30 1.09 0.65 5.86 2.02 -0.67 -4.91 118.70 123.03 2feb s GLU 88 Ca 0.02 -0.31 -0.02 0.00 0.02 0.00 0.00 54.97 54.68 2feb s GLU 88 Cb -0.05 0.50 0.07 0.00 0.10 0.00 0.00 34.13 34.76 2feb s GLU 88 CO -0.04 -0.46 0.91 0.71 0.02 0.00 0.00 175.26 176.41 2feb s TYR 89 N -3.15 2.43 0.21 1.61 1.51 -1.26 -2.22 117.35 116.48 2feb s TYR 89 Ca 0.01 0.01 0.07 0.00 -1.01 0.00 0.00 57.07 56.15 2feb s TYR 89 Cb -0.01 -2.97 -0.04 0.00 -0.11 0.00 0.00 41.96 38.84 2feb s TYR 89 CO -0.09 -1.31 0.09 0.00 -1.11 0.00 0.00 175.55 173.13 2feb n ASN 91 N -0.64 0.56 -3.57 0.00 2.04 0.21 -4.82 115.26 109.05 2feb n ASN 91 Ca -0.08 -0.28 -0.02 0.00 -0.44 0.00 0.00 54.58 53.76 2feb n ASN 91 Cb 0.57 -1.07 -0.05 0.00 -2.53 0.00 0.00 39.78 36.70 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 8.59 -1.07 -0.02 -4.53 1.02 -1.21 -4.64 118.68 116.81 2feb s LEU 92 Ca 1.22 1.32 -0.01 0.00 0.02 0.00 0.00 54.13 56.68 2feb s LEU 92 Cb -0.82 2.07 0.01 0.00 0.02 0.00 0.00 46.19 47.47 2feb s LEU 92 CO 0.41 -0.23 0.05 0.42 0.02 0.00 0.00 176.35 177.03 2feb s THR 93 N 2.83 -0.02 -0.21 5.49 -4.23 -0.40 -4.65 115.64 114.45 2feb s THR 93 Ca -0.01 0.08 -0.29 0.00 -1.18 0.00 0.00 61.69 60.29 2feb s THR 93 Cb -0.13 -0.09 -0.04 0.00 1.34 0.00 0.00 72.50 73.58 2feb s THR 93 CO -0.18 0.03 1.93 -0.60 -0.54 0.00 0.00 174.62 175.26 2feb s ARG 94 N 0.42 3.49 0.21 3.99 3.52 -1.26 0.55 118.95 129.87 2feb s ARG 94 Ca -0.03 1.87 -0.10 0.00 -0.13 0.00 0.00 55.73 57.34 2feb s ARG 94 Cb -0.05 -4.21 -0.07 0.00 -1.56 0.00 0.00 34.95 29.06 2feb s ARG 94 CO -0.01 -1.68 0.53 0.00 -0.81 0.00 0.00 175.30 173.33 2feb s PRO 96 N -2.68 3.89 0.45 0.00 0.04 -1.26 -5.02 135.00 130.43 2feb s PRO 96 Ca 0.45 1.74 -0.21 0.00 0.04 0.00 0.00 61.00 63.02 2feb s PRO 96 Cb -0.12 -2.48 -0.09 0.00 0.04 0.00 0.00 34.50 31.85 2feb s PRO 96 CO 0.21 -0.43 1.01 0.14 0.04 0.00 0.00 177.00 177.97 2feb s VAL 97 N -1.54 3.96 -0.24 -0.36 -7.23 -1.26 -5.06 120.40 108.66 2feb s VAL 97 Ca 0.61 1.27 -0.14 0.00 -1.81 0.00 0.00 61.98 61.91 2feb s VAL 97 Cb -0.28 -3.55 0.07 0.00 0.56 0.00 0.00 36.38 33.19 2feb s VAL 97 CO 0.34 -0.21 0.60 0.28 -0.31 0.00 0.00 175.10 175.80 2feb s THR 98 N -1.97 -0.01 0.03 5.32 -1.32 -1.26 -5.03 115.64 111.40 2feb s THR 98 Ca 0.64 0.03 0.00 0.00 -1.21 0.00 0.00 61.69 61.15 2feb s THR 98 Cb -0.15 -0.87 0.00 0.00 -1.51 0.00 0.00 72.50 69.97 2feb s THR 98 CO 0.19 0.01 0.00 -1.84 -2.21 0.00 0.00 174.62 170.77 2feb n GLU 99 N 4.17 0.00 -2.77 7.08 0.28 -1.26 -5.10 120.64 123.04 2feb n GLU 99 Ca -0.21 0.00 -0.03 0.00 -0.16 0.00 0.00 57.16 56.76 2feb n GLU 99 Cb 0.58 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.45 2feb n GLU 99 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 2feb n SER 100 N -2.38 -8.02 -1.29 -1.84 7.64 -1.26 -5.00 113.62 101.47 2feb n SER 100 Ca 0.00 1.10 -0.04 0.00 1.01 0.00 0.00 58.87 60.95 2feb n SER 100 Cb 0.00 -5.38 -0.00 0.00 -1.01 0.00 0.00 64.21 57.82 2feb n SER 100 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2feb n SER 101 N 0.33 -0.76 0.00 6.43 2.88 -1.26 -5.37 113.62 115.87 2feb n SER 101 Ca 0.05 -1.47 0.00 0.00 -1.33 0.00 0.00 58.87 56.11 2feb n SER 101 Cb 0.17 0.28 0.00 0.00 -0.75 0.00 0.00 64.21 63.91 2feb n SER 101 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14