#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 -4.58 0.00 0.38 4.07 -1.25 -5.06 120.64 114.20 2feb n GLU 2 Ca 0.00 3.30 0.00 0.00 -0.06 0.00 0.00 57.16 60.40 2feb n GLU 2 Cb 0.00 -3.60 0.00 0.00 -0.06 0.00 0.00 31.44 27.78 2feb n GLU 2 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2feb n GLY 3 N 0.67 4.74 2.19 8.31 0.00 -1.26 -5.06 105.19 114.78 2feb n GLY 3 Ca 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.88 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 -1.90 -5.14 -3.88 1.61 1.74 -1.26 -4.53 116.66 103.30 2feb n ARG 4 Ca 0.00 3.72 -0.35 0.00 -0.77 0.00 0.00 57.85 60.45 2feb n ARG 4 Cb 0.00 -4.39 -0.13 0.00 -1.02 0.00 0.00 32.46 26.92 2feb n ARG 4 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2feb s HIS 5 N -0.55 3.53 -0.19 -1.55 3.76 -1.26 -4.57 115.29 114.46 2feb s HIS 5 Ca 0.00 -2.39 -0.04 0.00 -0.15 0.00 0.00 55.06 52.48 2feb s HIS 5 Cb 0.00 -2.80 0.06 0.00 1.11 0.00 0.00 32.58 30.95 2feb s HIS 5 CO 0.00 -0.92 0.08 1.41 -0.85 0.00 0.00 174.74 174.46 2feb s MET 6 N 1.12 0.26 -1.10 1.40 0.00 -1.26 -4.89 119.30 114.82 2feb s MET 6 Ca 0.04 -0.23 -0.05 0.00 0.00 0.00 0.00 55.69 55.45 2feb s MET 6 Cb -0.21 -1.87 -0.05 0.00 0.00 0.00 0.00 34.83 32.70 2feb s MET 6 CO -0.04 -0.69 0.93 0.00 0.00 0.00 0.00 175.02 175.22 2feb n ALA 7 N 5.20 -2.36 -2.19 4.11 0.00 -1.26 -4.81 120.51 119.20 2feb n ALA 7 Ca -0.07 0.07 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 2feb n ALA 7 Cb 0.48 -4.81 -0.03 0.00 0.00 0.00 0.00 19.45 15.09 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 -4.72 4.41 -0.28 0.00 0.04 -1.26 -4.51 135.00 128.67 2feb s PRO 8 Ca 0.33 1.93 -0.16 0.00 0.04 0.00 0.00 61.00 63.14 2feb s PRO 8 Cb -0.05 -3.27 0.09 0.00 0.04 0.00 0.00 34.50 31.32 2feb s PRO 8 CO 0.74 -0.27 0.75 0.99 0.04 0.00 0.00 177.00 179.25 2feb s THR 9 N 0.64 0.00 0.17 1.26 2.01 -1.26 -4.82 115.64 113.63 2feb s THR 9 Ca 0.59 0.00 -0.32 0.00 0.31 0.00 0.00 61.69 62.26 2feb s THR 9 Cb -0.34 -1.00 -0.12 0.00 0.01 0.00 0.00 72.50 71.05 2feb s THR 9 CO 0.33 0.00 1.73 -0.62 -0.69 0.00 0.00 174.62 175.36 2feb n GLU 10 N 4.16 2.63 0.00 4.92 4.71 -1.26 -3.34 120.64 132.46 2feb n GLU 10 Ca -0.20 0.95 0.00 0.00 -0.01 0.00 0.00 57.16 57.91 2feb n GLU 10 Cb 0.59 -2.79 0.00 0.00 -1.01 0.00 0.00 31.44 28.22 2feb n GLU 10 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51 2feb n ASN 11 N 4.34 -1.01 -4.15 1.62 2.85 -1.26 -4.79 115.26 112.87 2feb n ASN 11 Ca 0.17 0.00 -0.35 0.00 -0.11 0.00 0.00 54.58 54.29 2feb n ASN 11 Cb 0.34 0.00 0.10 0.00 1.24 0.00 0.00 39.78 41.46 2feb n ASN 11 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 2feb n SER 12 N -2.32 -2.90 -2.23 1.20 2.88 -1.26 -2.91 113.62 106.08 2feb n SER 12 Ca 0.00 -0.02 -0.19 0.00 -1.33 0.00 0.00 58.87 57.33 2feb n SER 12 Cb 0.00 -0.77 -0.02 0.00 -0.75 0.00 0.00 64.21 62.66 2feb n SER 12 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2feb n THR 13 N -3.84 -0.72 0.00 2.46 -2.24 -1.26 -4.71 114.28 103.96 2feb n THR 13 Ca -0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2feb n THR 13 Cb 0.67 -2.55 0.00 0.00 -2.10 0.00 0.00 70.33 66.35 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 -0.85 -0.06 3.06 3.38 0.00 -1.15 -4.42 105.19 105.16 2feb n GLY 14 Ca -0.22 0.31 -0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.67 0.00 1.61 3.14 -1.21 -4.72 118.33 114.48 2feb n VAL 15 Ca 0.00 0.44 0.00 0.00 -2.96 0.00 0.00 64.34 61.82 2feb n VAL 15 Cb 0.00 -3.14 0.00 0.00 -1.06 0.00 0.00 33.84 29.64 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 2.02 0.00 -2.62 1.45 10.64 -1.26 -5.00 117.38 122.60 2feb n GLN 16 Ca -0.03 0.00 -0.35 0.00 -1.83 0.00 0.00 57.00 54.78 2feb n GLN 16 Cb 0.21 0.00 -0.05 0.00 -0.86 0.00 0.00 30.24 29.54 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 -0.05 6.76 0.13 2.61 -1.08 -1.26 -4.94 116.67 118.84 2feb s ASP 17 Ca 0.00 1.93 0.03 0.00 -0.52 0.00 0.00 52.55 53.99 2feb s ASP 17 Cb 0.00 -2.57 -0.04 0.00 -1.46 0.00 0.00 42.92 38.85 2feb s ASP 17 CO 0.00 -0.48 0.17 0.00 0.52 0.00 0.00 175.17 175.38 2feb n TYR 19 N -0.14 -1.67 -3.90 0.00 0.18 0.58 -1.71 117.16 110.50 2feb n TYR 19 Ca -0.08 -1.50 -0.11 0.00 1.88 0.00 0.00 57.90 58.09 2feb n TYR 19 Cb 0.53 -0.34 -0.11 0.00 -0.38 0.00 0.00 39.34 39.05 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 -3.64 0.37 3.72 -3.48 0.52 -1.26 -4.14 118.95 111.04 2feb s ARG 20 Ca 0.31 -0.37 0.00 0.00 -0.52 0.00 0.00 55.73 55.15 2feb s ARG 20 Cb -0.02 0.15 0.00 0.00 0.52 0.00 0.00 34.95 35.59 2feb s ARG 20 CO 0.19 -0.08 0.00 0.41 0.02 0.00 0.00 175.30 175.85 2feb n GLY 21 N 1.77 1.98 3.30 -3.53 0.00 -1.26 -3.39 105.19 104.06 2feb n GLY 21 Ca -0.21 0.43 -0.45 0.00 0.00 0.00 0.00 46.02 45.79 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 6.67 0.56 1.61 -4.77 -1.26 -4.90 116.67 110.58 2feb s ASP 22 Ca 0.00 -2.90 0.45 0.00 -3.30 0.00 0.00 52.55 46.80 2feb s ASP 22 Cb 0.00 -2.16 1.62 0.00 -1.09 0.00 0.00 42.92 41.29 2feb s ASP 22 CO 0.00 -0.49 1.62 1.23 0.70 0.00 0.00 175.17 178.23 2feb h GLY 23 N 7.45 0.00 0.00 2.12 0.00 -1.76 -2.39 103.07 108.49 2feb h GLY 23 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.44 2feb h GLY 23 CO 0.79 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 176.27 2feb n GLN 24 N -3.93 0.00 -3.17 4.80 3.00 -0.63 -4.43 117.38 113.02 2feb n GLN 24 Ca 0.37 0.28 -0.00 0.00 -0.01 0.00 0.00 57.00 57.64 2feb n GLN 24 Cb 1.75 -1.14 -0.00 0.00 0.00 0.00 0.00 30.24 30.86 2feb n GLN 24 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 2feb n SER 25 N -1.08 -6.65 -3.27 1.08 3.41 -0.90 -4.36 113.62 101.84 2feb n SER 25 Ca 0.00 0.46 -0.26 0.00 -0.26 0.00 0.00 58.87 58.81 2feb n SER 25 Cb 0.00 -1.71 -0.03 0.00 -0.26 0.00 0.00 64.21 62.21 2feb n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2feb n TYR 26 N 1.32 1.46 -2.30 7.33 4.11 -1.23 -3.14 117.16 124.71 2feb n TYR 26 Ca -0.00 -1.90 -0.00 0.00 -0.00 0.00 0.00 57.90 56.00 2feb n TYR 26 Cb 0.46 -1.66 0.00 0.00 -0.00 0.00 0.00 39.34 38.14 2feb n TYR 26 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 176.86 179.75 2feb n ARG 27 N 4.85 0.02 -1.94 -3.48 1.85 -1.26 -4.95 116.66 111.76 2feb n ARG 27 Ca 0.45 -0.03 -0.30 0.00 -1.00 0.00 0.00 57.85 56.97 2feb n ARG 27 Cb 0.19 0.11 0.05 0.00 -1.05 0.00 0.00 32.46 31.76 2feb n ARG 27 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 2feb s GLY 28 N -0.02 1.62 -0.35 2.89 0.00 -1.19 -5.03 107.32 105.24 2feb s GLY 28 Ca 0.00 -0.42 0.15 0.00 0.00 0.00 0.00 44.72 44.45 2feb s GLY 28 CO -0.00 -0.04 1.00 -1.30 0.00 0.00 0.00 173.10 172.75 2feb n THR 29 N -3.01 1.36 -0.04 0.90 -2.24 -1.26 -4.74 114.28 105.25 2feb n THR 29 Ca 0.07 -3.53 -0.22 0.00 -2.27 0.00 0.00 64.05 58.10 2feb n THR 29 Cb 0.58 0.19 -0.13 0.00 -2.10 0.00 0.00 70.33 68.87 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 -0.19 2.28 -1.64 3.22 4.77 -1.26 -4.96 117.00 119.23 2feb n LEU 30 Ca 0.17 0.31 -0.20 0.00 -0.03 0.00 0.00 56.01 56.26 2feb n LEU 30 Cb 0.78 -1.05 -0.08 0.00 -2.33 0.00 0.00 43.42 40.74 2feb n LEU 30 CO 0.28 0.59 -0.19 -0.24 -1.33 0.00 0.00 177.39 176.50 2feb n SER 31 N -3.92 -5.25 0.00 -1.43 2.88 -1.26 -4.76 113.62 99.88 2feb n SER 31 Ca -0.32 0.45 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 2feb n SER 31 Cb 0.88 -4.64 0.00 0.00 -0.75 0.00 0.00 64.21 59.71 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 -2.43 0.00 0.00 2.46 -1.04 -1.26 -3.60 114.28 108.41 2feb n THR 32 Ca -0.20 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.81 2feb n THR 32 Cb 0.65 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.16 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 0.15 -2.88 114.28 121.89 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 -0.43 0.00 -1.80 2.28 0.13 -1.19 -1.39 119.36 116.95 2feb n ILE 34 Ca 0.00 0.00 -0.13 0.00 -1.10 0.00 0.00 62.75 61.52 2feb n ILE 34 Cb 0.00 -0.08 0.10 0.00 -0.84 0.00 0.00 39.64 38.82 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 -1.70 2.47 0.00 9.51 -1.04 -1.26 -4.60 114.28 117.66 2feb n THR 35 Ca 0.00 -3.71 0.00 0.00 -2.04 0.00 0.00 64.05 58.30 2feb n THR 35 Cb 0.00 -0.76 0.00 0.00 -1.82 0.00 0.00 70.33 67.75 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 -0.89 3.15 3.71 3.41 0.00 -1.26 -5.04 105.19 108.26 2feb n GLY 36 Ca 0.35 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.90 1.66 -2.05 1.61 5.12 -1.26 -4.64 116.66 116.20 2feb n ARG 37 Ca 0.00 0.61 -0.29 0.00 -1.93 0.00 0.00 57.85 56.24 2feb n ARG 37 Cb 0.00 -2.45 0.19 0.00 -1.16 0.00 0.00 32.46 29.04 2feb n ARG 37 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2feb s THR 38 N -1.29 2.00 -0.74 0.55 -4.23 -1.26 0.32 115.64 110.99 2feb s THR 38 Ca 0.69 -0.10 0.25 0.00 -1.18 0.00 0.00 61.69 61.34 2feb s THR 38 Cb -0.45 -2.90 0.10 0.00 1.34 0.00 0.00 72.50 70.60 2feb s THR 38 CO 0.52 0.00 1.47 0.00 -0.54 0.00 0.00 174.62 176.07 2feb n GLN 40 N -1.99 -3.35 -1.14 0.00 0.00 -1.25 -0.12 117.38 109.53 2feb n GLN 40 Ca 0.04 2.62 -0.37 0.00 -0.00 0.00 0.00 57.00 59.30 2feb n GLN 40 Cb 0.41 -3.43 0.05 0.00 0.00 0.00 0.00 30.24 27.27 2feb n GLN 40 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 2feb n SER 41 N 1.19 -3.34 -1.30 1.69 3.41 -1.26 -4.57 113.62 109.44 2feb n SER 41 Ca -0.08 0.47 0.02 0.00 -0.26 0.00 0.00 58.87 59.01 2feb n SER 41 Cb 0.13 -0.98 0.21 0.00 -0.26 0.00 0.00 64.21 63.30 2feb n SER 41 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 2feb n TRP 42 N -2.28 1.18 -1.14 7.33 7.02 -1.15 -3.59 117.44 124.81 2feb n TRP 42 Ca 0.06 -0.48 0.00 0.00 -1.02 0.00 0.00 57.50 56.06 2feb n TRP 42 Cb 0.51 -0.36 0.00 0.00 -2.42 0.00 0.00 31.31 29.04 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 0.26 0.00 -3.98 -0.99 2.88 -1.26 -4.40 113.62 106.13 2feb n SER 43 Ca 0.17 -1.00 -0.31 0.00 -1.33 0.00 0.00 58.87 56.40 2feb n SER 43 Cb 0.80 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 64.14 2feb n SER 43 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2feb s SER 44 N 0.00 4.76 -0.93 -3.46 0.15 -1.24 -4.98 113.70 108.00 2feb s SER 44 Ca 0.00 -3.28 -0.00 0.00 0.70 0.00 0.00 55.95 53.36 2feb s SER 44 Cb 0.00 -1.70 0.31 0.00 -1.71 0.00 0.00 66.02 62.92 2feb s SER 44 CO 0.00 -0.21 1.45 1.15 1.20 0.00 0.00 173.24 176.83 2feb n MET 45 N 2.79 4.45 -0.08 5.44 0.00 -1.26 -4.64 117.12 123.82 2feb n MET 45 Ca 0.11 -4.66 -0.07 0.00 0.00 0.00 0.00 57.70 53.07 2feb n MET 45 Cb 0.34 -2.42 -0.03 0.00 0.00 0.00 0.00 33.22 31.11 2feb n MET 45 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 175.97 177.12 2feb h THR 46 N 2.85 0.15 0.20 3.17 2.02 -2.00 -3.43 112.91 115.88 2feb h THR 46 Ca 0.32 -1.20 -0.33 0.00 0.77 0.00 0.00 66.41 65.97 2feb h THR 46 Cb 0.49 0.37 0.02 0.00 -1.74 0.00 0.00 68.15 67.29 2feb h THR 46 CO 1.14 0.05 -1.57 1.55 0.37 0.00 0.00 175.52 177.06 2feb h PRO 47 N -1.00 0.42 -2.76 6.66 0.13 -2.00 -3.46 132.00 129.98 2feb h PRO 47 Ca -0.06 -0.71 -0.14 0.00 -0.87 0.00 0.00 66.00 64.22 2feb h PRO 47 Cb 0.63 0.27 -0.28 0.00 0.13 0.00 0.00 31.00 31.75 2feb h PRO 47 CO -0.04 1.33 -0.37 -3.38 -0.23 0.00 0.00 178.00 175.31 2feb s HIS 48 N -2.60 -0.53 -0.54 1.56 -3.43 -1.26 -4.97 115.29 103.52 2feb s HIS 48 Ca -0.11 1.14 -0.26 0.00 -0.80 0.00 0.00 55.06 55.02 2feb s HIS 48 Cb 0.05 0.19 -0.08 0.00 -1.43 0.00 0.00 32.58 31.31 2feb s HIS 48 CO 0.89 -0.32 2.45 0.91 -2.00 0.00 0.00 174.74 176.67 2feb n TRP 49 N 4.35 1.34 0.00 0.38 7.02 -1.26 -4.57 117.44 124.70 2feb n TRP 49 Ca -0.23 0.14 0.00 0.00 -1.02 0.00 0.00 57.50 56.40 2feb n TRP 49 Cb 0.54 -2.61 0.00 0.00 -2.42 0.00 0.00 31.31 26.82 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 15.49 0.00 -3.17 -5.99 1.44 -1.26 -4.91 115.22 116.81 2feb n HIS 50 Ca 0.40 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 56.15 2feb n HIS 50 Cb 0.50 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.57 2feb n HIS 50 CO 0.00 0.00 0.00 -0.98 -2.81 0.00 0.00 176.34 172.55 2feb s ARG 51 N -0.99 0.04 0.41 -1.40 1.04 -1.26 -5.03 118.95 111.76 2feb s ARG 51 Ca 0.00 0.08 0.00 0.00 -1.04 0.00 0.00 55.73 54.77 2feb s ARG 51 Cb 0.00 0.05 0.00 0.00 -2.04 0.00 0.00 34.95 32.96 2feb s ARG 51 CO 0.00 -0.02 0.00 0.54 -0.04 0.00 0.00 175.30 175.78 2feb n ARG 52 N 4.81 0.00 -3.62 3.89 5.12 -1.26 -4.89 116.66 120.71 2feb n ARG 52 Ca -0.07 0.00 -0.07 0.00 -1.93 0.00 0.00 57.85 55.77 2feb n ARG 52 Cb 0.55 0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 31.84 2feb n ARG 52 CO 0.00 0.00 0.00 0.96 -1.93 0.00 0.00 177.63 176.66 2feb s ILE 53 N 0.00 0.00 0.00 0.55 -4.36 -1.26 -4.77 121.20 111.35 2feb s ILE 53 Ca 0.00 -0.37 -0.13 0.00 -0.26 0.00 0.00 60.65 59.90 2feb s ILE 53 Cb 0.00 -1.47 -0.16 0.00 1.25 0.00 0.00 42.46 42.08 2feb s ILE 53 CO 0.00 0.00 1.24 -0.81 0.24 0.00 0.00 174.94 175.61 2feb n PRO 54 N -0.38 0.00 0.00 0.37 -0.04 -1.26 -2.53 135.00 131.16 2feb n PRO 54 Ca -0.09 -0.70 0.00 0.00 -0.04 0.00 0.00 63.50 62.67 2feb n PRO 54 Cb 0.62 -2.20 0.00 0.00 -0.04 0.00 0.00 33.50 31.87 2feb n PRO 54 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 2feb n LEU 55 N 6.63 0.00 0.05 1.53 -0.00 -1.26 -4.91 117.00 119.04 2feb n LEU 55 Ca 0.19 0.00 -0.20 0.00 -0.00 0.00 0.00 56.01 56.00 2feb n LEU 55 Cb 0.17 0.02 -0.14 0.00 -0.00 0.00 0.00 43.42 43.47 2feb n LEU 55 CO 0.78 -0.05 0.05 0.10 -0.00 0.00 0.00 177.39 178.27 2feb h TYR 56 N 0.00 0.56 -3.06 1.47 -0.00 -1.93 -3.46 116.97 110.56 2feb h TYR 56 Ca 0.00 -0.41 -0.52 0.00 -0.00 0.00 0.00 58.73 57.81 2feb h TYR 56 Cb 0.00 -0.02 -0.01 0.00 -0.00 0.00 0.00 36.73 36.70 2feb h TYR 56 CO 0.00 1.31 -0.20 1.52 -0.00 0.00 0.00 178.16 180.79 2feb s TYR 57 N -2.47 3.48 0.00 0.10 1.13 -1.26 -4.96 117.35 113.37 2feb s TYR 57 Ca -0.13 0.52 -0.01 0.00 -1.41 0.00 0.00 57.07 56.04 2feb s TYR 57 Cb 0.01 -2.01 -0.03 0.00 -1.10 0.00 0.00 41.96 38.83 2feb s TYR 57 CO 0.84 0.23 1.31 -0.35 -2.51 0.00 0.00 175.55 175.06 2feb n PRO 58 N -0.95 0.65 -3.43 -3.49 -0.04 -1.26 -4.76 135.00 121.72 2feb n PRO 58 Ca -0.03 -0.11 -0.18 0.00 -0.04 0.00 0.00 63.50 63.14 2feb n PRO 58 Cb 0.54 -1.34 0.00 0.00 -0.04 0.00 0.00 33.50 32.66 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 1.94 -3.28 -0.21 3.54 5.03 -1.26 -4.74 115.26 116.28 2feb n ASN 59 Ca 0.05 -0.69 0.31 0.00 0.87 0.00 0.00 54.58 55.11 2feb n ASN 59 Cb 0.32 -1.10 0.73 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 1.25 2.90 0.00 5.41 0.00 -2.03 -3.44 119.26 123.35 2feb h ALA 60 Ca -0.45 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2feb h ALA 60 Cb 0.97 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2feb h ALA 60 CO 0.26 -1.23 0.00 0.41 0.00 0.00 0.00 179.25 178.69 2feb n GLY 61 N -1.72 0.87 3.72 0.00 0.00 -1.26 -5.09 105.19 101.71 2feb n GLY 61 Ca 0.20 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 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 3.90 -3.30 0.99 4.77 -1.26 -4.84 117.00 117.25 2feb n LEU 62 Ca 0.00 1.21 -0.39 0.00 -0.03 0.00 0.00 56.01 56.80 2feb n LEU 62 Cb 0.00 -1.52 -0.03 0.00 -2.33 0.00 0.00 43.42 39.54 2feb n LEU 62 CO 0.00 -0.28 3.41 0.35 -1.33 0.00 0.00 177.39 179.54 2feb n THR 63 N 0.52 4.32 0.00 -5.08 -2.24 -1.26 -4.87 114.28 105.67 2feb n THR 63 Ca 0.04 -2.57 0.00 0.00 -2.27 0.00 0.00 64.05 59.25 2feb n THR 63 Cb 0.37 -2.61 0.00 0.00 -2.10 0.00 0.00 70.33 65.98 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 3.58 0.00 -2.77 -0.78 1.74 -1.26 -1.60 116.66 115.57 2feb n ARG 64 Ca 0.79 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.84 2feb n ARG 64 Cb 0.23 0.00 0.05 0.00 -1.02 0.00 0.00 32.46 31.73 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 2.79 1.13 -4.49 0.55 6.94 -1.26 -2.94 115.26 117.99 2feb n ASN 65 Ca 0.00 -2.26 -0.43 0.00 -0.02 0.00 0.00 54.58 51.87 2feb n ASN 65 Cb 0.00 -0.34 -0.05 0.00 -2.36 0.00 0.00 39.78 37.03 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 -3.11 2.91 -0.47 -2.53 2.02 -0.63 -3.86 117.35 111.68 2feb s TYR 66 Ca 0.25 -0.23 -0.36 0.00 -0.37 0.00 0.00 57.07 56.37 2feb s TYR 66 Cb 0.38 -3.82 -0.16 0.00 -0.40 0.00 0.00 41.96 37.96 2feb s TYR 66 CO -0.03 -1.19 1.86 0.00 -1.57 0.00 0.00 175.55 174.62 2feb n ARG 68 N 6.41 0.00 -3.79 0.00 1.85 -1.26 -4.35 116.66 115.52 2feb n ARG 68 Ca 0.47 0.00 -0.13 0.00 -1.00 0.00 0.00 57.85 57.20 2feb n ARG 68 Cb -0.03 0.00 -0.12 0.00 -1.05 0.00 0.00 32.46 31.27 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 -0.25 -0.25 0.13 2.89 4.22 -1.26 -2.89 114.94 117.53 2feb s ASN 69 Ca 0.00 0.49 -0.05 0.00 -2.14 0.00 0.00 52.86 51.16 2feb s ASN 69 Cb 0.00 0.50 -0.09 0.00 1.28 0.00 0.00 41.25 42.94 2feb s ASN 69 CO 0.00 -0.09 1.31 1.55 -2.04 0.00 0.00 177.10 177.83 2feb h PRO 70 N 5.77 0.43 0.00 3.55 0.13 -1.92 -3.25 132.00 136.71 2feb h PRO 70 Ca -0.26 -0.45 0.00 0.00 -0.87 0.00 0.00 66.00 64.42 2feb h PRO 70 Cb 1.19 0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.45 2feb h PRO 70 CO 0.35 1.11 0.00 -3.47 -0.23 0.00 0.00 178.00 175.76 2feb n ASP 71 N -3.76 0.00 -3.80 1.44 2.03 -1.26 -4.82 116.55 106.38 2feb n ASP 71 Ca -0.07 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 54.95 2feb n ASP 71 Cb 0.83 0.00 -0.16 0.00 -0.72 0.00 0.00 41.12 41.07 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 -3.10 1.52 -0.43 -1.67 0.00 -1.26 -4.70 121.76 112.11 2feb s ALA 72 Ca 0.00 -1.31 0.07 0.00 0.00 0.00 0.00 51.96 50.72 2feb s ALA 72 Cb 0.00 -1.44 0.24 0.00 0.00 0.00 0.00 23.12 21.91 2feb s ALA 72 CO 0.00 -1.39 0.66 -1.91 0.00 0.00 0.00 175.76 173.11 2feb n GLU 73 N 4.85 0.70 0.00 0.00 4.07 -1.26 -5.10 120.64 123.90 2feb n GLU 73 Ca -0.06 -2.62 0.00 0.00 -0.06 0.00 0.00 57.16 54.42 2feb n GLU 73 Cb 0.44 -1.34 0.00 0.00 -0.06 0.00 0.00 31.44 30.48 2feb n GLU 73 CO 0.00 0.00 0.00 0.44 -0.06 0.00 0.00 177.13 177.51 2feb n ILE 74 N 1.64 0.00 -2.36 6.31 -5.35 -1.26 -4.24 119.36 114.09 2feb n ILE 74 Ca 0.17 0.00 -0.42 0.00 -0.27 0.00 0.00 62.75 62.22 2feb n ILE 74 Cb 0.57 0.00 -0.03 0.00 -1.74 0.00 0.00 39.64 38.44 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 4.29 1.07 6.28 0.52 -1.26 -1.61 118.95 128.23 2feb s ARG 75 Ca 0.00 1.77 -0.23 0.00 -0.52 0.00 0.00 55.73 56.75 2feb s ARG 75 Cb 0.00 -3.66 -0.03 0.00 0.52 0.00 0.00 34.95 31.78 2feb s ARG 75 CO 0.00 -0.58 -0.71 -0.35 0.02 0.00 0.00 175.30 173.68 2feb n PRO 76 N 5.81 -0.87 -3.73 3.54 -0.04 -1.26 -4.90 135.00 133.56 2feb n PRO 76 Ca 0.13 -0.24 -0.27 0.00 -0.04 0.00 0.00 63.50 63.08 2feb n PRO 76 Cb 0.45 -1.38 -0.17 0.00 -0.04 0.00 0.00 33.50 32.36 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 -2.13 0.86 0.20 0.54 1.48 -1.14 -4.22 118.94 114.52 2feb s TRP 77 Ca 0.47 -0.66 -0.01 0.00 -1.06 0.00 0.00 56.10 54.84 2feb s TRP 77 Cb -0.02 -0.94 -0.04 0.00 -1.16 0.00 0.00 33.47 31.31 2feb s TRP 77 CO 0.66 -0.55 0.12 0.00 -4.06 0.00 0.00 176.95 173.13 2feb n TYR 79 N -0.26 -1.45 -4.37 0.00 4.02 0.83 0.16 117.16 116.08 2feb n TYR 79 Ca 0.01 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.71 2feb n TYR 79 Cb 0.66 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.88 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 0.61 0.59 -0.37 -0.72 -4.23 -1.21 -3.30 115.64 107.00 2feb s THR 80 Ca 0.00 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.58 2feb s THR 80 Cb 0.00 -2.58 0.68 0.00 1.34 0.00 0.00 72.50 71.94 2feb s THR 80 CO 0.00 0.00 1.78 0.80 -0.54 0.00 0.00 174.62 176.66 2feb n MET 81 N -0.61 3.15 -4.49 3.99 1.56 -1.26 -4.55 117.12 114.91 2feb n MET 81 Ca -0.01 -2.85 -0.21 0.00 -0.27 0.00 0.00 57.70 54.36 2feb n MET 81 Cb 0.66 -2.14 -0.15 0.00 2.15 0.00 0.00 33.22 33.73 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 -0.97 1.38 -0.42 6.12 -1.08 -1.26 -5.01 116.67 115.44 2feb s ASP 82 Ca 0.52 -0.22 -0.07 0.00 -0.52 0.00 0.00 52.55 52.27 2feb s ASP 82 Cb 0.42 -0.27 -0.22 0.00 -1.46 0.00 0.00 42.92 41.39 2feb s ASP 82 CO 0.12 0.11 3.44 -0.81 0.52 0.00 0.00 175.17 178.55 2feb n PRO 83 N 3.05 2.43 -0.91 4.34 -0.04 -1.26 -3.50 135.00 139.11 2feb n PRO 83 Ca -0.16 -1.30 -0.06 0.00 -0.04 0.00 0.00 63.50 61.94 2feb n PRO 83 Cb 0.55 -2.20 -0.06 0.00 -0.04 0.00 0.00 33.50 31.75 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 2.78 -0.81 0.05 3.54 7.64 -1.26 -5.01 113.62 120.55 2feb n SER 84 Ca 0.52 -1.80 0.00 0.00 1.01 0.00 0.00 58.87 58.60 2feb n SER 84 Cb 0.74 0.24 0.00 0.00 -1.01 0.00 0.00 64.21 64.18 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 0.06 0.00 0.44 0.31 -1.23 -5.02 118.33 112.89 2feb n VAL 85 Ca -0.23 0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 2feb n VAL 85 Cb 0.66 -0.33 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 -2.87 0.00 -3.57 5.55 3.00 -1.26 -4.88 116.66 112.63 2feb n ARG 86 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 57.85 57.71 2feb n ARG 86 Cb 0.00 -0.26 -0.06 0.00 0.00 0.00 0.00 32.46 32.14 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 -0.74 -0.56 0.17 -0.14 -0.11 -1.26 -4.61 118.94 111.68 2feb s TRP 87 Ca 0.00 1.06 -0.23 0.00 1.22 0.00 0.00 56.10 58.15 2feb s TRP 87 Cb 0.00 0.40 0.06 0.00 -1.50 0.00 0.00 33.47 32.43 2feb s TRP 87 CO 0.00 -0.45 0.69 -2.00 -4.62 0.00 0.00 176.95 170.57 2feb s GLU 88 N -0.80 1.34 0.66 5.86 2.12 0.12 -4.86 118.70 123.14 2feb s GLU 88 Ca -0.05 -0.59 -0.01 0.00 0.36 0.00 0.00 54.97 54.68 2feb s GLU 88 Cb -0.01 0.56 0.08 0.00 0.26 0.00 0.00 34.13 35.02 2feb s GLU 88 CO 0.04 -0.60 0.93 0.71 -0.54 0.00 0.00 175.26 175.80 2feb s TYR 89 N -3.68 2.26 0.32 5.30 1.51 -1.26 -2.45 117.35 119.34 2feb s TYR 89 Ca 0.05 -0.05 0.09 0.00 -1.01 0.00 0.00 57.07 56.14 2feb s TYR 89 Cb -0.02 -2.97 -0.04 0.00 -0.11 0.00 0.00 41.96 38.81 2feb s TYR 89 CO -0.07 -1.38 0.08 0.00 -1.11 0.00 0.00 175.55 173.07 2feb s ASN 91 N -3.77 3.95 -0.29 0.00 4.22 -0.48 -4.76 114.94 113.80 2feb s ASN 91 Ca 0.35 -0.56 -0.04 0.00 -2.14 0.00 0.00 52.86 50.47 2feb s ASN 91 Cb -0.03 -2.57 0.16 0.00 1.28 0.00 0.00 41.25 40.09 2feb s ASN 91 CO 0.21 -4.02 0.60 -0.76 -2.04 0.00 0.00 177.10 171.09 2feb s LEU 92 N 14.80 -1.25 0.06 3.54 1.02 -1.20 -3.84 118.68 131.80 2feb s LEU 92 Ca 0.84 1.09 -0.01 0.00 0.02 0.00 0.00 54.13 56.07 2feb s LEU 92 Cb -0.08 2.15 -0.04 0.00 0.02 0.00 0.00 46.19 48.24 2feb s LEU 92 CO 0.11 -0.25 -0.02 0.42 0.02 0.00 0.00 176.35 176.64 2feb s THR 93 N 2.85 0.21 -0.16 5.49 -4.23 0.05 -4.65 115.64 115.20 2feb s THR 93 Ca 0.11 -1.79 -0.29 0.00 -1.18 0.00 0.00 61.69 58.54 2feb s THR 93 Cb -0.14 -1.54 -0.05 0.00 1.34 0.00 0.00 72.50 72.11 2feb s THR 93 CO -0.20 -0.96 2.05 -0.13 -0.54 0.00 0.00 174.62 174.84 2feb s ARG 94 N -3.92 3.48 0.06 3.99 0.52 -1.26 0.22 118.95 122.02 2feb s ARG 94 Ca 0.08 2.09 -0.19 0.00 -0.52 0.00 0.00 55.73 57.18 2feb s ARG 94 Cb 0.08 -4.27 -0.06 0.00 0.52 0.00 0.00 34.95 31.22 2feb s ARG 94 CO -0.09 -1.70 0.55 0.00 0.02 0.00 0.00 175.30 174.08 2feb s PRO 96 N -1.00 2.06 0.88 0.00 0.04 -1.26 -4.94 135.00 130.79 2feb s PRO 96 Ca 0.29 0.24 -0.12 0.00 0.04 0.00 0.00 61.00 61.45 2feb s PRO 96 Cb -0.19 -4.86 0.11 0.00 0.04 0.00 0.00 34.50 29.60 2feb s PRO 96 CO 0.18 -3.86 1.06 0.28 0.04 0.00 0.00 177.00 174.70 2feb n VAL 97 N 8.29 0.78 -3.66 -0.36 0.31 -1.26 -5.05 118.33 117.38 2feb n VAL 97 Ca 0.42 -0.11 -0.15 0.00 -0.01 0.00 0.00 64.34 64.49 2feb n VAL 97 Cb 0.46 -1.02 -0.08 0.00 -0.91 0.00 0.00 33.84 32.29 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 -2.41 0.02 -0.38 2.52 2.01 -1.26 -5.03 115.64 111.12 2feb s THR 98 Ca 0.68 -0.17 -0.10 0.00 0.31 0.00 0.00 61.69 62.41 2feb s THR 98 Cb -0.25 -0.78 0.01 0.00 0.01 0.00 0.00 72.50 71.49 2feb s THR 98 CO 0.57 -0.09 0.38 1.21 -0.69 0.00 0.00 174.62 175.99 2feb n GLU 99 N 1.63 -2.70 0.05 4.92 2.13 -1.26 -4.95 120.64 120.46 2feb n GLU 99 Ca -0.18 2.31 -0.09 0.00 0.66 0.00 0.00 57.16 59.85 2feb n GLU 99 Cb 0.56 -5.46 -0.13 0.00 0.27 0.00 0.00 31.44 26.69 2feb n GLU 99 CO 0.00 0.00 0.00 0.77 -0.41 0.00 0.00 177.13 177.49 2feb h SER 100 N 2.30 0.09 -4.58 4.31 0.02 -2.05 -3.47 113.55 110.17 2feb h SER 100 Ca 0.00 -0.12 -0.39 0.00 -0.84 0.00 0.00 61.79 60.44 2feb h SER 100 Cb 0.63 -0.03 0.07 0.00 0.14 0.00 0.00 62.40 63.21 2feb h SER 100 CO 0.16 1.09 -0.60 -0.24 -1.14 0.00 0.00 176.83 176.10 2feb n SER 101 N -3.31 -6.07 0.00 3.07 2.88 -1.26 -5.32 113.62 103.61 2feb n SER 101 Ca -0.07 -0.32 0.00 0.00 -1.33 0.00 0.00 58.87 57.15 2feb n SER 101 Cb 0.99 -4.85 0.00 0.00 -0.75 0.00 0.00 64.21 59.59 2feb n SER 101 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14