#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2feb n GLU 2 N 0.00 -2.22 -0.02 0.38 1.02 -1.26 -4.62 120.64 113.91 2feb n GLU 2 Ca 0.00 1.00 0.00 0.00 -0.02 0.00 0.00 57.16 58.14 2feb n GLU 2 Cb 0.00 -5.69 0.00 0.00 -0.02 0.00 0.00 31.44 25.73 2feb n GLU 2 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2feb n GLY 3 N -1.11 0.85 0.08 0.62 0.00 -1.26 -2.11 105.19 102.26 2feb n GLY 3 Ca -0.23 -1.27 -0.08 0.00 0.00 0.00 0.00 46.02 44.44 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 2.50 1.40 0.00 1.61 5.12 -1.26 -4.89 116.66 121.14 2feb n ARG 4 Ca 0.00 0.02 0.00 0.00 -1.93 0.00 0.00 57.85 55.94 2feb n ARG 4 Cb 0.00 -1.37 0.00 0.00 -1.16 0.00 0.00 32.46 29.93 2feb n ARG 4 CO 0.00 0.00 0.00 -2.39 -1.93 0.00 0.00 177.63 173.31 2feb n HIS 5 N -2.64 0.00 -3.65 -1.55 1.44 -1.26 -5.13 115.22 102.44 2feb n HIS 5 Ca -0.25 0.00 -0.02 0.00 -2.01 0.00 0.00 57.72 55.44 2feb n HIS 5 Cb 0.94 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.99 2feb n HIS 5 CO 0.00 0.00 0.00 1.41 -2.81 0.00 0.00 176.34 174.94 2feb s MET 6 N -0.37 0.12 -0.42 -1.40 1.75 -1.26 -5.13 119.30 112.58 2feb s MET 6 Ca 0.00 0.16 0.06 0.00 -1.25 0.00 0.00 55.69 54.66 2feb s MET 6 Cb 0.00 0.04 0.18 0.00 2.84 0.00 0.00 34.83 37.90 2feb s MET 6 CO 0.00 -0.02 0.70 0.00 -0.65 0.00 0.00 175.02 175.05 2feb s ALA 7 N 0.49 -2.58 -0.89 4.11 0.00 -1.26 -5.05 121.76 116.57 2feb s ALA 7 Ca 0.00 0.21 -0.10 0.00 0.00 0.00 0.00 51.96 52.08 2feb s ALA 7 Cb -0.04 -2.77 -0.07 0.00 0.00 0.00 0.00 23.12 20.24 2feb s ALA 7 CO -0.13 -2.26 2.07 -0.35 0.00 0.00 0.00 175.76 175.09 2feb n PRO 8 N 4.02 1.96 0.00 0.00 -0.04 -1.26 -2.71 135.00 136.98 2feb n PRO 8 Ca 0.12 -1.57 0.00 0.00 -0.04 0.00 0.00 63.50 62.01 2feb n PRO 8 Cb 0.58 -2.58 0.00 0.00 -0.04 0.00 0.00 33.50 31.46 2feb n PRO 8 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 2feb n THR 9 N 4.65 0.00 -4.25 0.52 5.66 -1.26 -5.06 114.28 114.54 2feb n THR 9 Ca 0.46 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 61.29 2feb n THR 9 Cb 0.20 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 68.89 2feb n THR 9 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 2feb s GLU 10 N -1.00 1.57 0.00 1.09 0.41 -1.10 -4.60 118.70 115.07 2feb s GLU 10 Ca 0.00 -1.88 0.00 0.00 -0.41 0.00 0.00 54.97 52.68 2feb s GLU 10 Cb 0.00 0.31 0.00 0.00 -1.78 0.00 0.00 34.13 32.66 2feb s GLU 10 CO 0.00 -0.56 0.00 0.09 -0.49 0.00 0.00 175.26 174.30 2feb n ASN 11 N -1.11 0.00 -2.06 -0.19 3.02 -1.26 -2.96 115.26 110.69 2feb n ASN 11 Ca 0.06 0.00 -0.17 0.00 -0.03 0.00 0.00 54.58 54.43 2feb n ASN 11 Cb 0.64 0.00 0.20 0.00 -0.61 0.00 0.00 39.78 40.00 2feb n ASN 11 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2feb n SER 12 N 1.74 3.95 -2.80 6.41 2.88 -0.90 -4.17 113.62 120.74 2feb n SER 12 Ca 0.00 -3.36 -0.03 0.00 -1.33 0.00 0.00 58.87 54.14 2feb n SER 12 Cb 0.00 -0.79 0.01 0.00 -0.75 0.00 0.00 64.21 62.68 2feb n SER 12 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2feb s THR 13 N -2.94 -0.85 0.00 2.46 2.01 -1.16 -4.89 115.64 110.27 2feb s THR 13 Ca 0.52 -0.73 0.00 0.00 0.31 0.00 0.00 61.69 61.78 2feb s THR 13 Cb 0.43 0.00 0.00 0.00 0.01 0.00 0.00 72.50 72.94 2feb s THR 13 CO 0.11 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.65 2feb n GLY 14 N 3.07 1.31 3.48 4.40 0.00 -1.26 -3.48 105.19 112.71 2feb n GLY 14 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 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 0.00 0.00 0.04 1.61 0.24 -1.26 -4.68 118.33 114.27 2feb n VAL 15 Ca 0.00 -0.21 0.00 0.00 -2.04 0.00 0.00 64.34 62.09 2feb n VAL 15 Cb 0.00 -0.82 0.00 0.00 -1.47 0.00 0.00 33.84 31.55 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 -3.28 0.00 -2.35 7.34 -0.00 -1.26 -5.11 117.38 112.72 2feb n GLN 16 Ca 0.06 0.00 -0.33 0.00 -0.00 0.00 0.00 57.00 56.73 2feb n GLN 16 Cb 0.55 0.00 -0.02 0.00 -0.00 0.00 0.00 30.24 30.77 2feb n GLN 16 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 2feb s ASP 17 N -2.00 6.15 0.12 2.61 1.01 -1.26 -4.92 116.67 118.38 2feb s ASP 17 Ca 0.00 1.87 0.03 0.00 0.71 0.00 0.00 52.55 55.16 2feb s ASP 17 Cb 0.00 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.34 2feb s ASP 17 CO 0.00 -0.92 0.16 0.00 0.21 0.00 0.00 175.17 174.63 2feb n TYR 19 N -0.07 -1.57 -3.78 0.00 4.11 0.43 -4.33 117.16 111.95 2feb n TYR 19 Ca -0.08 -1.45 -0.13 0.00 -0.00 0.00 0.00 57.90 56.24 2feb n TYR 19 Cb 0.53 -0.32 -0.11 0.00 -0.00 0.00 0.00 39.34 39.44 2feb n TYR 19 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.86 177.89 2feb s ARG 20 N -3.56 0.38 1.69 -3.48 0.52 -1.26 -4.22 118.95 109.02 2feb s ARG 20 Ca 0.28 0.31 0.00 0.00 -0.52 0.00 0.00 55.73 55.80 2feb s ARG 20 Cb -0.02 0.18 0.00 0.00 0.52 0.00 0.00 34.95 35.63 2feb s ARG 20 CO 0.18 -0.06 0.00 0.41 0.02 0.00 0.00 175.30 175.85 2feb n GLY 21 N 2.69 0.25 2.86 -3.53 0.00 -1.26 -3.76 105.19 102.44 2feb n GLY 21 Ca -0.14 0.57 -0.12 0.00 0.00 0.00 0.00 46.02 46.33 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 0.84 0.03 1.61 1.01 -1.26 -5.06 116.67 109.83 2feb s ASP 22 Ca 0.00 -0.47 -0.05 0.00 0.71 0.00 0.00 52.55 52.74 2feb s ASP 22 Cb 0.00 0.89 -0.01 0.00 1.01 0.00 0.00 42.92 44.81 2feb s ASP 22 CO 0.00 -0.36 0.58 0.61 0.21 0.00 0.00 175.17 176.20 2feb n GLY 23 N 5.34 -1.42 3.47 0.21 0.00 -1.07 -4.46 105.19 107.26 2feb n GLY 23 Ca -0.01 0.39 -0.43 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.24 0.65 -0.96 1.61 -0.00 -1.26 -4.88 117.38 109.29 2feb n GLN 24 Ca 0.00 0.23 -0.01 0.00 -0.00 0.00 0.00 57.00 57.23 2feb n GLN 24 Cb 0.05 -1.50 0.00 0.00 -0.00 0.00 0.00 30.24 28.78 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 1.37 -0.15 -2.41 2.61 3.41 -1.26 -4.97 113.62 112.23 2feb n SER 25 Ca 0.12 -0.59 -0.07 0.00 -0.26 0.00 0.00 58.87 58.07 2feb n SER 25 Cb 0.36 0.06 -0.00 0.00 -0.26 0.00 0.00 64.21 64.36 2feb n SER 25 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2feb n TYR 26 N -0.07 -1.60 -3.41 7.33 4.02 -1.26 -4.84 117.16 117.32 2feb n TYR 26 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.86 2feb n TYR 26 Cb 0.40 -2.04 0.00 0.00 -0.02 0.00 0.00 39.34 37.67 2feb n TYR 26 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 2feb n ARG 27 N -2.63 0.00 0.00 -0.72 3.00 -1.26 -5.03 116.66 110.02 2feb n ARG 27 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.76 2feb n ARG 27 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.01 2feb n ARG 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2feb n GLY 28 N 0.00 1.57 0.09 5.14 0.00 -1.26 -4.47 105.19 106.27 2feb n GLY 28 Ca 0.00 0.44 -0.10 0.00 0.00 0.00 0.00 46.02 46.36 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 1.28 -2.98 2.61 -2.24 -1.26 -4.61 114.28 107.09 2feb n THR 29 Ca 0.00 -0.77 -0.44 0.00 -2.27 0.00 0.00 64.05 60.57 2feb n THR 29 Cb 0.00 -0.56 -0.00 0.00 -2.10 0.00 0.00 70.33 67.67 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 -5.43 5.14 -0.91 3.22 2.34 -1.26 -4.93 118.68 116.85 2feb s LEU 30 Ca -0.11 -3.05 -0.25 0.00 0.06 0.00 0.00 54.13 50.78 2feb s LEU 30 Cb 0.06 -2.39 -0.18 0.00 -0.56 0.00 0.00 46.19 43.12 2feb s LEU 30 CO 0.75 -0.71 1.93 -1.20 -1.06 0.00 0.00 176.35 176.06 2feb n SER 31 N 5.42 2.27 -0.47 1.48 7.64 -1.26 -4.41 113.62 124.28 2feb n SER 31 Ca 0.36 -2.62 0.00 0.00 1.01 0.00 0.00 58.87 57.62 2feb n SER 31 Cb 0.42 -1.43 0.00 0.00 -1.01 0.00 0.00 64.21 62.20 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 7.60 0.00 0.00 0.44 -1.04 -1.26 -4.34 114.28 115.68 2feb n THR 32 Ca 0.45 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.46 2feb n THR 32 Cb 0.45 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.96 2feb n THR 32 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 2feb n THR 33 N 0.00 0.00 0.00 12.58 -2.24 -1.25 -3.73 114.28 119.64 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 -1.00 0.00 -2.04 2.28 0.13 -1.21 -0.47 119.36 117.05 2feb n ILE 34 Ca 0.00 0.00 -0.30 0.00 -1.10 0.00 0.00 62.75 61.35 2feb n ILE 34 Cb 0.00 0.00 0.03 0.00 -0.84 0.00 0.00 39.64 38.83 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 -1.45 2.90 -1.01 9.51 -1.04 -1.26 -4.75 114.28 117.18 2feb n THR 35 Ca 0.00 -4.26 -0.00 0.00 -2.04 0.00 0.00 64.05 57.75 2feb n THR 35 Cb 0.00 -1.21 -0.00 0.00 -1.82 0.00 0.00 70.33 67.30 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 -0.63 0.23 0.00 3.41 0.00 -1.26 -4.99 105.19 101.96 2feb n GLY 36 Ca 0.48 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.49 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 -0.72 2.55 -4.29 1.61 1.74 -1.26 -4.88 116.66 111.41 2feb n ARG 37 Ca -0.00 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 56.89 2feb n ARG 37 Cb 0.29 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 31.65 2feb n ARG 37 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2feb s THR 38 N 0.00 0.02 -1.01 0.55 -4.23 -1.26 -3.88 115.64 105.82 2feb s THR 38 Ca 0.00 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 58.80 2feb s THR 38 Cb 0.00 -2.49 0.23 0.00 1.34 0.00 0.00 72.50 71.57 2feb s THR 38 CO 0.00 0.00 1.89 0.00 -0.54 0.00 0.00 174.62 175.97 2feb n GLN 40 N -1.49 -4.56 -1.47 0.00 0.00 -1.17 -3.02 117.38 105.67 2feb n GLN 40 Ca 0.07 3.39 -0.40 0.00 -0.00 0.00 0.00 57.00 60.07 2feb n GLN 40 Cb 0.34 -4.46 0.02 0.00 0.00 0.00 0.00 30.24 26.14 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 1.63 -0.89 -1.23 1.69 7.64 -1.26 -4.69 113.62 116.51 2feb n SER 41 Ca -0.13 0.82 -0.05 0.00 1.01 0.00 0.00 58.87 60.52 2feb n SER 41 Cb 0.20 -1.16 0.05 0.00 -1.01 0.00 0.00 64.21 62.29 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 -1.31 0.68 -1.10 1.43 7.02 -1.02 -3.04 117.44 120.11 2feb n TRP 42 Ca 0.11 -0.73 0.00 0.00 -1.02 0.00 0.00 57.50 55.86 2feb n TRP 42 Cb 0.44 -0.39 0.00 0.00 -2.42 0.00 0.00 31.31 28.95 2feb n TRP 42 CO 0.00 0.00 0.00 0.43 -2.02 0.00 0.00 177.69 176.10 2feb n SER 43 N 0.12 0.00 -4.35 -0.99 7.64 -1.26 -4.40 113.62 110.38 2feb n SER 43 Ca 0.13 -1.00 -0.46 0.00 1.01 0.00 0.00 58.87 58.55 2feb n SER 43 Cb 0.74 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.92 2feb n SER 43 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2feb s SER 44 N 0.00 6.85 -0.37 6.43 0.15 -1.17 -4.85 113.70 120.74 2feb s SER 44 Ca 0.00 -2.76 0.06 0.00 0.70 0.00 0.00 55.95 53.95 2feb s SER 44 Cb 0.00 -2.24 0.65 0.00 -1.71 0.00 0.00 66.02 62.72 2feb s SER 44 CO 0.00 -0.60 1.80 0.80 1.20 0.00 0.00 173.24 176.44 2feb n MET 45 N 4.17 2.71 -0.08 5.44 1.56 -1.26 -4.36 117.12 125.30 2feb n MET 45 Ca 0.18 -2.80 -0.08 0.00 -0.27 0.00 0.00 57.70 54.73 2feb n MET 45 Cb 0.46 -2.11 -0.04 0.00 2.15 0.00 0.00 33.22 33.68 2feb n MET 45 CO 0.00 0.00 0.00 1.15 -0.73 0.00 0.00 175.97 176.39 2feb h THR 46 N 1.55 0.19 0.09 1.12 2.02 -2.01 -3.43 112.91 112.44 2feb h THR 46 Ca 0.45 -1.25 -0.13 0.00 0.77 0.00 0.00 66.41 66.26 2feb h THR 46 Cb 2.53 0.46 0.01 0.00 -1.74 0.00 0.00 68.15 69.42 2feb h THR 46 CO 0.89 0.07 -0.55 1.55 0.37 0.00 0.00 175.52 177.85 2feb h PRO 47 N -1.00 0.22 -4.43 6.66 0.13 -2.01 -3.48 132.00 128.09 2feb h PRO 47 Ca -0.07 -0.35 -0.18 0.00 -0.87 0.00 0.00 66.00 64.52 2feb h PRO 47 Cb 0.66 0.13 -0.15 0.00 0.13 0.00 0.00 31.00 31.77 2feb h PRO 47 CO -0.04 1.15 -0.66 -3.38 -0.23 0.00 0.00 178.00 174.84 2feb s HIS 48 N -2.47 0.82 -0.92 1.56 0.00 -1.26 -4.93 115.29 108.09 2feb s HIS 48 Ca -0.15 -1.16 -0.20 0.00 -3.00 0.00 0.00 55.06 50.55 2feb s HIS 48 Cb 0.00 -0.49 0.11 0.00 -4.00 0.00 0.00 32.58 28.20 2feb s HIS 48 CO 0.79 -0.44 1.18 -1.58 -1.00 0.00 0.00 174.74 173.69 2feb s TRP 49 N -3.96 2.96 0.42 0.38 0.52 -1.26 -4.18 118.94 113.81 2feb s TRP 49 Ca 0.20 -1.20 -0.06 0.00 0.02 0.00 0.00 56.10 55.06 2feb s TRP 49 Cb 0.07 -4.37 0.10 0.00 -1.15 0.00 0.00 33.47 28.13 2feb s TRP 49 CO -0.01 -1.60 0.22 -2.39 0.02 0.00 0.00 176.95 173.20 2feb n HIS 50 N 7.13 -2.09 -1.08 -1.98 1.44 -1.26 -5.01 115.22 112.37 2feb n HIS 50 Ca 0.23 -0.16 -0.07 0.00 -2.01 0.00 0.00 57.72 55.71 2feb n HIS 50 Cb 0.49 -0.43 0.05 0.00 0.12 0.00 0.00 29.99 30.23 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 -2.28 -0.63 -1.55 -1.40 1.85 -1.26 -4.83 116.66 106.55 2feb n ARG 51 Ca 0.04 -0.50 -0.14 0.00 -1.00 0.00 0.00 57.85 56.25 2feb n ARG 51 Cb 0.15 -0.36 -0.08 0.00 -1.05 0.00 0.00 32.46 31.12 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 -1.86 0.49 -0.82 2.89 1.74 -1.26 -4.89 116.66 112.94 2feb n ARG 52 Ca 0.04 -0.86 -0.34 0.00 -0.77 0.00 0.00 57.85 55.92 2feb n ARG 52 Cb 0.15 -3.54 0.11 0.00 -1.02 0.00 0.00 32.46 28.16 2feb n ARG 52 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 2feb n ILE 53 N 8.60 0.00 -0.22 0.55 -5.35 -1.26 -4.55 119.36 117.13 2feb n ILE 53 Ca 0.48 -0.26 -0.15 0.00 -0.27 0.00 0.00 62.75 62.55 2feb n ILE 53 Cb 0.41 -0.45 -0.04 0.00 -1.74 0.00 0.00 39.64 37.82 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 -0.67 0.00 0.00 6.28 -0.04 -1.26 -2.84 135.00 136.47 2feb n PRO 54 Ca 0.03 -0.62 0.00 0.00 -0.04 0.00 0.00 63.50 62.86 2feb n PRO 54 Cb 0.58 -2.08 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 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 6.15 0.00 -0.11 1.53 7.94 -1.26 -4.95 117.00 126.30 2feb n LEU 55 Ca 0.16 0.00 -0.23 0.00 -1.11 0.00 0.00 56.01 54.83 2feb n LEU 55 Cb 0.15 0.00 -0.12 0.00 0.53 0.00 0.00 43.42 43.98 2feb n LEU 55 CO 0.70 0.00 -1.22 -1.22 -1.11 0.00 0.00 177.39 174.53 2feb n TYR 56 N -1.09 0.29 -2.87 1.96 4.02 -1.13 -4.97 117.16 113.37 2feb n TYR 56 Ca 0.00 0.08 -0.31 0.00 -0.01 0.00 0.00 57.90 57.67 2feb n TYR 56 Cb 0.00 -1.03 -0.04 0.00 -0.02 0.00 0.00 39.34 38.25 2feb n TYR 56 CO 0.00 0.00 0.00 1.52 -1.01 0.00 0.00 176.86 177.37 2feb s TYR 57 N -2.51 3.45 -0.12 -0.72 1.13 -1.26 -4.98 117.35 112.35 2feb s TYR 57 Ca -0.34 1.10 -0.33 0.00 -1.41 0.00 0.00 57.07 56.09 2feb s TYR 57 Cb 0.10 -2.48 -0.10 0.00 -1.10 0.00 0.00 41.96 38.38 2feb s TYR 57 CO 0.59 -0.09 1.97 -0.35 -2.51 0.00 0.00 175.55 175.16 2feb n PRO 58 N -1.17 2.12 -1.52 -3.49 -0.04 -1.26 -4.75 135.00 124.90 2feb n PRO 58 Ca 0.03 0.74 -0.28 0.00 -0.04 0.00 0.00 63.50 63.95 2feb n PRO 58 Cb 0.54 -2.75 -0.16 0.00 -0.04 0.00 0.00 33.50 31.09 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 7.78 0.06 -0.06 3.54 5.03 -1.26 -4.75 115.26 125.60 2feb n ASN 59 Ca 0.25 -0.50 -0.04 0.00 0.87 0.00 0.00 54.58 55.16 2feb n ASN 59 Cb 0.32 -0.97 -0.04 0.00 -1.02 0.00 0.00 39.78 38.08 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 12.63 0.00 0.00 5.41 0.00 -2.00 -3.49 119.26 131.80 2feb h ALA 60 Ca -0.03 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2feb h ALA 60 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2feb h ALA 60 CO 1.40 0.00 0.00 0.41 0.00 0.00 0.00 179.25 181.06 2feb n GLY 61 N 1.73 0.39 3.77 0.00 0.00 -1.26 -5.12 105.19 104.70 2feb n GLY 61 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 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 4.33 -1.32 0.99 1.43 -1.26 -4.90 118.68 117.96 2feb s LEU 62 Ca 0.00 3.00 -0.10 0.00 -1.03 0.00 0.00 54.13 56.00 2feb s LEU 62 Cb 0.00 -3.66 0.14 0.00 0.03 0.00 0.00 46.19 42.70 2feb s LEU 62 CO 0.00 -0.85 2.01 0.35 0.23 0.00 0.00 176.35 178.09 2feb n THR 63 N 0.85 4.31 0.00 5.49 -2.24 -1.26 -4.95 114.28 116.48 2feb n THR 63 Ca 0.02 -4.14 0.00 0.00 -2.27 0.00 0.00 64.05 57.67 2feb n THR 63 Cb 0.39 -2.37 0.00 0.00 -2.10 0.00 0.00 70.33 66.25 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 3.95 0.00 -1.76 -0.78 1.74 -1.26 -0.41 116.66 118.15 2feb n ARG 64 Ca 0.45 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 57.30 2feb n ARG 64 Cb 0.35 0.00 0.05 0.00 -1.02 0.00 0.00 32.46 31.84 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 7.28 5.02 -4.43 0.55 6.94 -1.26 -2.42 115.26 126.93 2feb n ASN 65 Ca 0.00 -3.77 -0.44 0.00 -0.02 0.00 0.00 54.58 50.35 2feb n ASN 65 Cb 0.00 -0.47 -0.03 0.00 -2.36 0.00 0.00 39.78 36.92 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 2.96 0.00 -2.53 2.02 0.46 -3.82 117.35 112.84 2feb s TYR 66 Ca 0.52 -1.03 0.00 0.00 -0.37 0.00 0.00 57.07 56.19 2feb s TYR 66 Cb 0.42 -4.22 0.00 0.00 -0.40 0.00 0.00 41.96 37.76 2feb s TYR 66 CO 0.02 -1.49 0.00 0.00 -1.57 0.00 0.00 175.55 172.51 2feb s ARG 68 N 0.00 0.22 0.03 0.00 1.70 -1.26 -4.04 118.95 115.59 2feb s ARG 68 Ca 0.00 -0.13 0.02 0.00 -0.47 0.00 0.00 55.73 55.16 2feb s ARG 68 Cb 0.00 0.07 -0.02 0.00 -0.57 0.00 0.00 34.95 34.44 2feb s ARG 68 CO 0.00 -0.10 -0.08 0.54 -1.08 0.00 0.00 175.30 174.58 2feb s ASN 69 N -3.13 0.93 -0.01 -2.89 2.20 -1.26 -3.69 114.94 107.08 2feb s ASN 69 Ca 0.17 -0.38 -0.21 0.00 -0.94 0.00 0.00 52.86 51.51 2feb s ASN 69 Cb 0.05 -0.03 -0.25 0.00 -2.00 0.00 0.00 41.25 39.03 2feb s ASN 69 CO -0.05 -0.07 1.05 1.55 -2.94 0.00 0.00 177.10 176.65 2feb h PRO 70 N 5.09 0.37 0.00 3.55 0.13 -2.01 -3.43 132.00 135.69 2feb h PRO 70 Ca -0.34 -0.43 0.00 0.00 -0.87 0.00 0.00 66.00 64.37 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 0.44 1.11 0.00 -0.25 -0.23 0.00 0.00 178.00 179.08 2feb n ASP 71 N -4.23 0.00 0.00 1.44 8.00 -1.26 -5.04 116.55 115.46 2feb n ASP 71 Ca -0.11 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.39 2feb n ASP 71 Cb 0.68 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.78 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 -3.00 0.00 -1.44 2.24 0.00 -1.26 -5.01 120.51 112.03 2feb n ALA 72 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.61 2feb n ALA 72 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 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 -0.10 -3.27 -0.22 0.00 2.13 -1.26 -4.40 120.64 113.51 2feb n GLU 73 Ca 0.00 2.66 0.01 0.00 0.66 0.00 0.00 57.16 60.49 2feb n GLU 73 Cb 0.00 -3.85 0.13 0.00 0.27 0.00 0.00 31.44 27.99 2feb n GLU 73 CO 0.00 0.00 0.00 -0.84 -0.41 0.00 0.00 177.13 175.88 2feb h ILE 74 N -1.44 0.76 -3.36 6.31 3.07 -2.00 -3.39 117.51 117.45 2feb h ILE 74 Ca -0.19 -0.15 -0.12 0.00 1.55 0.00 0.00 64.86 65.95 2feb h ILE 74 Cb 1.37 0.27 -0.19 0.00 -0.27 0.00 0.00 36.82 37.99 2feb h ILE 74 CO 0.07 0.08 -0.37 0.00 -1.05 0.00 0.00 178.15 176.88 2feb s ARG 75 N -6.07 0.64 0.91 0.16 1.70 -1.26 -2.60 118.95 112.42 2feb s ARG 75 Ca -0.13 -0.42 -0.16 0.00 -0.47 0.00 0.00 55.73 54.55 2feb s ARG 75 Cb 0.18 0.27 -0.14 0.00 -0.57 0.00 0.00 34.95 34.69 2feb s ARG 75 CO 0.75 -0.18 -0.71 -2.30 -1.08 0.00 0.00 175.30 171.78 2feb n PRO 76 N 1.06 0.00 -3.24 3.89 -0.01 -1.26 -4.83 135.00 130.60 2feb n PRO 76 Ca -0.21 0.00 -0.14 0.00 -0.01 0.00 0.00 63.50 63.14 2feb n PRO 76 Cb 0.57 -0.95 -0.06 0.00 -0.01 0.00 0.00 33.50 33.06 2feb n PRO 76 CO 0.00 0.00 0.00 1.67 -0.01 0.00 0.00 175.50 177.16 2feb s TRP 77 N -1.90 -0.48 0.32 6.00 1.48 -1.24 -3.77 118.94 119.35 2feb s TRP 77 Ca 0.39 -0.89 0.03 0.00 -1.06 0.00 0.00 56.10 54.56 2feb s TRP 77 Cb -0.20 -0.27 -0.01 0.00 -1.16 0.00 0.00 33.47 31.83 2feb s TRP 77 CO 0.77 -1.03 0.09 0.00 -4.06 0.00 0.00 176.95 172.73 2feb n TYR 79 N -0.74 -1.72 -4.46 0.00 4.01 -1.17 -1.68 117.16 111.40 2feb n TYR 79 Ca -0.06 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.43 2feb n TYR 79 Cb 0.47 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.42 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 0.20 0.39 -0.34 -0.72 -4.23 -1.22 -3.05 115.64 106.66 2feb s THR 80 Ca 0.00 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.55 2feb s THR 80 Cb 0.00 -2.34 0.50 0.00 1.34 0.00 0.00 72.50 72.00 2feb s THR 80 CO 0.00 0.00 1.65 0.80 -0.54 0.00 0.00 174.62 176.53 2feb n MET 81 N -0.87 2.09 -4.39 3.99 1.56 -1.26 -4.48 117.12 113.77 2feb n MET 81 Ca -0.03 -2.22 -0.21 0.00 -0.27 0.00 0.00 57.70 54.98 2feb n MET 81 Cb 0.64 -1.88 -0.16 0.00 2.15 0.00 0.00 33.22 33.97 2feb n MET 81 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 2feb s ASP 82 N -0.67 1.26 -0.74 6.12 1.11 -1.26 -5.01 116.67 117.47 2feb s ASP 82 Ca 0.42 -0.20 -0.08 0.00 0.18 0.00 0.00 52.55 52.87 2feb s ASP 82 Cb 0.35 -0.45 -0.18 0.00 1.07 0.00 0.00 42.92 43.71 2feb s ASP 82 CO 0.08 0.04 3.31 -0.81 1.18 0.00 0.00 175.17 178.97 2feb n PRO 83 N 3.55 2.79 -0.91 8.23 -0.04 -1.26 -3.62 135.00 143.74 2feb n PRO 83 Ca -0.21 -1.58 -0.06 0.00 -0.04 0.00 0.00 63.50 61.62 2feb n PRO 83 Cb 0.53 -2.36 -0.06 0.00 -0.04 0.00 0.00 33.50 31.57 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 2.94 -0.82 0.10 3.54 7.64 -1.26 -5.00 113.62 120.76 2feb n SER 84 Ca 0.59 -1.82 0.00 0.00 1.01 0.00 0.00 58.87 58.65 2feb n SER 84 Cb 0.60 0.25 0.00 0.00 -1.01 0.00 0.00 64.21 64.05 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 0.14 0.00 0.44 0.31 -1.24 -5.03 118.33 112.96 2feb n VAL 85 Ca -0.23 0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 2feb n VAL 85 Cb 0.66 -0.53 0.00 0.00 -0.91 0.00 0.00 33.84 33.06 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 -3.23 0.00 -3.55 5.55 0.63 -1.26 -4.87 116.66 109.93 2feb n ARG 86 Ca 0.00 0.00 -0.14 0.00 -0.92 0.00 0.00 57.85 56.79 2feb n ARG 86 Cb 0.00 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 32.85 2feb n ARG 86 CO 0.00 0.00 0.00 -0.46 -2.51 0.00 0.00 177.63 174.66 2feb s TRP 87 N -0.58 -0.52 0.18 -0.14 -0.11 -1.26 -4.49 118.94 112.01 2feb s TRP 87 Ca 0.00 0.89 -0.24 0.00 1.22 0.00 0.00 56.10 57.97 2feb s TRP 87 Cb 0.00 0.43 0.06 0.00 -1.50 0.00 0.00 33.47 32.46 2feb s TRP 87 CO 0.00 -0.48 0.76 -1.21 -4.62 0.00 0.00 176.95 171.40 2feb s GLU 88 N -1.16 1.37 0.75 5.86 2.02 -0.68 -4.94 118.70 121.92 2feb s GLU 88 Ca -0.07 -0.67 -0.02 0.00 0.02 0.00 0.00 54.97 54.23 2feb s GLU 88 Cb -0.00 0.53 0.14 0.00 0.10 0.00 0.00 34.13 34.89 2feb s GLU 88 CO 0.06 -0.62 1.03 0.71 0.02 0.00 0.00 175.26 176.46 2feb s TYR 89 N -3.61 1.56 0.14 1.61 1.51 -1.26 -3.27 117.35 114.03 2feb s TYR 89 Ca 0.08 -0.23 0.09 0.00 -1.01 0.00 0.00 57.07 55.99 2feb s TYR 89 Cb -0.03 -3.10 -0.04 0.00 -0.11 0.00 0.00 41.96 38.69 2feb s TYR 89 CO -0.02 -1.81 -0.14 0.00 -1.11 0.00 0.00 175.55 172.47 2feb n ASN 91 N 0.47 -0.27 -3.37 0.00 2.04 0.38 -4.76 115.26 109.74 2feb n ASN 91 Ca -0.13 -0.95 -0.01 0.00 -0.44 0.00 0.00 54.58 53.05 2feb n ASN 91 Cb 0.54 -0.96 -0.04 0.00 -2.53 0.00 0.00 39.78 36.79 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 5.63 -1.12 0.06 -4.53 1.02 -1.19 -4.63 118.68 113.93 2feb s LEU 92 Ca 1.14 0.96 -0.04 0.00 0.02 0.00 0.00 54.13 56.21 2feb s LEU 92 Cb -0.56 1.94 -0.02 0.00 0.02 0.00 0.00 46.19 47.57 2feb s LEU 92 CO 0.37 -0.25 0.06 0.42 0.02 0.00 0.00 176.35 176.97 2feb s THR 93 N 2.79 0.18 -0.17 5.49 -4.23 -0.18 -4.61 115.64 114.92 2feb s THR 93 Ca 0.10 -1.52 -0.29 0.00 -1.18 0.00 0.00 61.69 58.80 2feb s THR 93 Cb -0.14 -1.41 -0.05 0.00 1.34 0.00 0.00 72.50 72.24 2feb s THR 93 CO -0.19 -0.84 2.02 -0.13 -0.54 0.00 0.00 174.62 174.94 2feb s ARG 94 N -3.81 3.51 0.12 3.99 0.52 -1.26 0.16 118.95 122.18 2feb s ARG 94 Ca 0.05 2.05 -0.23 0.00 -0.52 0.00 0.00 55.73 57.09 2feb s ARG 94 Cb 0.06 -4.25 -0.07 0.00 0.52 0.00 0.00 34.95 31.21 2feb s ARG 94 CO -0.10 -1.67 0.68 0.00 0.02 0.00 0.00 175.30 174.23 2feb s PRO 96 N -1.12 3.25 0.27 0.00 0.04 -1.26 -4.86 135.00 131.31 2feb s PRO 96 Ca 0.33 1.18 0.08 0.00 0.04 0.00 0.00 61.00 62.63 2feb s PRO 96 Cb -0.21 -4.20 0.37 0.00 0.04 0.00 0.00 34.50 30.49 2feb s PRO 96 CO 0.23 -1.97 1.63 -0.24 0.04 0.00 0.00 177.00 176.69 2feb h VAL 97 N 6.76 1.39 0.00 -0.36 3.04 -1.98 -3.45 116.25 121.65 2feb h VAL 97 Ca -0.31 -1.92 0.00 0.00 -1.01 0.00 0.00 66.70 63.46 2feb h VAL 97 Cb 1.16 2.00 0.00 0.00 -2.01 0.00 0.00 31.29 32.44 2feb h VAL 97 CO 1.08 0.56 0.00 1.07 -1.01 0.00 0.00 177.57 179.27 2feb n THR 98 N -3.88 0.00 -4.12 3.17 5.66 -1.26 -4.53 114.28 109.31 2feb n THR 98 Ca -0.02 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.86 2feb n THR 98 Cb 0.58 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.31 2feb n THR 98 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2feb n GLU 99 N 0.00 0.34 -2.03 1.09 4.71 -1.26 -5.09 120.64 118.40 2feb n GLU 99 Ca 0.00 -2.23 0.00 0.00 -0.01 0.00 0.00 57.16 54.92 2feb n GLU 99 Cb 0.00 1.91 0.00 0.00 -1.01 0.00 0.00 31.44 32.34 2feb n GLU 99 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 2feb n SER 100 N -2.00 -8.56 -2.20 1.62 7.64 -1.26 -4.83 113.62 104.02 2feb n SER 100 Ca 0.04 1.40 -0.28 0.00 1.01 0.00 0.00 58.87 61.04 2feb n SER 100 Cb 0.42 -4.78 0.11 0.00 -1.01 0.00 0.00 64.21 58.95 2feb n SER 100 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2feb n SER 101 N 1.73 5.97 0.00 6.43 7.64 -1.26 -5.08 113.62 129.05 2feb n SER 101 Ca 0.00 -3.59 0.00 0.00 1.01 0.00 0.00 58.87 56.29 2feb n SER 101 Cb 0.00 -0.92 0.00 0.00 -1.01 0.00 0.00 64.21 62.28 2feb n SER 101 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55