#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 -2.80 -0.41 6.28 -0.58 -1.15 -4.88 120.64 117.10 2feb n GLU 2 Ca 0.00 1.94 0.00 0.00 -0.42 0.00 0.00 57.16 58.68 2feb n GLU 2 Cb 0.00 -3.39 0.00 0.00 -0.57 0.00 0.00 31.44 27.48 2feb n GLU 2 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2feb n GLY 3 N -4.10 1.69 0.00 0.62 0.00 -1.04 -4.75 105.19 97.62 2feb n GLY 3 Ca -0.01 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.27 2feb n GLY 3 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2feb n ARG 4 N 0.00 0.12 -1.92 1.61 3.00 -1.26 -5.01 116.66 113.19 2feb n ARG 4 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2feb n ARG 4 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 2feb n ARG 4 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.63 179.21 2feb n HIS 5 N 0.00 -4.36 -0.64 -0.14 -0.00 -1.26 -4.94 115.22 103.88 2feb n HIS 5 Ca 0.00 2.62 -0.30 0.00 0.46 0.00 0.00 57.72 60.50 2feb n HIS 5 Cb 0.00 -3.52 0.20 0.00 -0.12 0.00 0.00 29.99 26.55 2feb n HIS 5 CO 0.00 0.00 0.00 -1.64 0.46 0.00 0.00 176.34 175.16 2feb s MET 6 N -0.92 0.22 -0.30 1.57 -1.94 -1.26 -5.01 119.30 111.67 2feb s MET 6 Ca 0.00 1.26 -0.14 0.00 -1.71 0.00 0.00 55.69 55.09 2feb s MET 6 Cb 0.00 -1.66 0.18 0.00 2.01 0.00 0.00 34.83 35.36 2feb s MET 6 CO 0.00 -3.08 1.12 0.00 -0.01 0.00 0.00 175.02 173.05 2feb s ALA 7 N -2.57 -4.01 1.17 3.03 0.00 -1.26 -5.07 121.76 113.04 2feb s ALA 7 Ca 0.67 1.37 -0.12 0.00 0.00 0.00 0.00 51.96 53.88 2feb s ALA 7 Cb -0.24 -2.75 0.19 0.00 0.00 0.00 0.00 23.12 20.32 2feb s ALA 7 CO 0.61 -1.86 0.62 -0.35 0.00 0.00 0.00 175.76 174.77 2feb n PRO 8 N 5.24 -2.49 -1.36 0.00 -0.04 -1.26 -4.16 135.00 130.94 2feb n PRO 8 Ca 0.02 -1.00 0.17 0.00 -0.04 0.00 0.00 63.50 62.66 2feb n PRO 8 Cb 0.57 -0.98 -0.08 0.00 -0.04 0.00 0.00 33.50 32.97 2feb n PRO 8 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2feb n THR 9 N -4.01 -0.36 -2.64 0.52 -1.04 -1.26 -3.46 114.28 102.03 2feb n THR 9 Ca 0.09 0.64 -0.05 0.00 -2.04 0.00 0.00 64.05 62.68 2feb n THR 9 Cb 0.35 -1.10 0.02 0.00 -1.82 0.00 0.00 70.33 67.78 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 -4.21 0.64 0.00 -2.82 0.00 -1.26 -3.07 120.64 109.92 2feb n GLU 10 Ca -0.06 -0.74 0.00 0.00 0.00 0.00 0.00 57.16 56.36 2feb n GLU 10 Cb 0.64 -0.12 0.00 0.00 0.00 0.00 0.00 31.44 31.96 2feb n GLU 10 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2feb n ASN 11 N -2.91 -1.91 -0.19 -1.84 5.03 -1.25 -3.34 115.26 108.83 2feb n ASN 11 Ca 0.04 0.00 0.28 0.00 0.87 0.00 0.00 54.58 55.77 2feb n ASN 11 Cb 0.15 0.00 0.70 0.00 -1.02 0.00 0.00 39.78 39.61 2feb n ASN 11 CO 0.00 0.00 0.00 -1.28 -1.83 0.00 0.00 177.26 174.15 2feb h SER 12 N 0.00 0.06 -0.64 6.41 0.87 -1.98 0.39 113.55 118.66 2feb h SER 12 Ca 0.00 0.01 0.02 0.00 -1.23 0.00 0.00 61.79 60.59 2feb h SER 12 Cb 0.00 -0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 61.92 2feb h SER 12 CO 0.00 0.02 0.41 0.71 -0.53 0.00 0.00 176.83 177.44 2feb h THR 13 N 0.05 1.12 -3.65 2.23 1.35 -1.88 -3.38 112.91 108.76 2feb h THR 13 Ca 0.44 -0.28 -0.62 0.00 -0.55 0.00 0.00 66.41 65.39 2feb h THR 13 Cb 1.67 0.22 -0.38 0.00 -1.73 0.00 0.00 68.15 67.93 2feb h THR 13 CO -0.03 0.15 -0.78 -0.83 -0.25 0.00 0.00 175.52 173.78 2feb s GLY 14 N -2.83 1.42 0.14 5.82 0.00 0.13 -4.56 107.32 107.44 2feb s GLY 14 Ca -0.13 -1.60 -0.22 0.00 0.00 0.00 0.00 44.72 42.77 2feb s GLY 14 CO 0.76 0.93 0.56 0.54 0.00 0.00 0.00 173.10 175.89 2feb s VAL 15 N 1.30 0.01 0.00 1.40 0.11 -1.26 -3.93 120.40 118.03 2feb s VAL 15 Ca -0.03 -0.12 0.00 0.00 -2.93 0.00 0.00 61.98 58.90 2feb s VAL 15 Cb -0.19 -1.03 0.00 0.00 -1.53 0.00 0.00 36.38 33.63 2feb s VAL 15 CO -0.08 -0.07 0.00 0.00 -3.33 0.00 0.00 175.10 171.63 2feb n GLN 16 N -0.27 0.00 -0.07 1.54 1.13 -1.25 -4.89 117.38 113.58 2feb n GLN 16 Ca -0.17 0.00 -0.04 0.00 -1.94 0.00 0.00 57.00 54.85 2feb n GLN 16 Cb 0.64 0.00 0.04 0.00 0.11 0.00 0.00 30.24 31.03 2feb n GLN 16 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 2feb n ASP 17 N -2.36 -1.94 -4.78 1.08 -0.08 -1.07 -2.49 116.55 104.92 2feb n ASP 17 Ca 0.00 -0.27 -0.26 0.00 -1.51 0.00 0.00 54.79 52.75 2feb n ASP 17 Cb 0.00 -0.14 -0.06 0.00 2.34 0.00 0.00 41.12 43.26 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 -2.67 2.49 0.00 0.00 2.02 2.19 -3.83 117.35 117.54 2feb s TYR 19 Ca 0.35 -0.54 0.00 0.00 -0.37 0.00 0.00 57.07 56.51 2feb s TYR 19 Cb 0.02 -2.17 0.00 0.00 -0.40 0.00 0.00 41.96 39.41 2feb s TYR 19 CO 0.20 -0.29 0.00 0.54 -1.57 0.00 0.00 175.55 174.43 2feb n ARG 20 N -1.67 0.00 0.00 -0.62 1.74 -1.26 -3.72 116.66 111.13 2feb n ARG 20 Ca 0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 2feb n ARG 20 Cb 0.62 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.06 2feb n ARG 20 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2feb n GLY 21 N -0.13 0.23 1.27 -0.13 0.00 -1.26 -4.89 105.19 100.28 2feb n GLY 21 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.18 -0.02 0.00 1.61 8.00 -1.26 -5.04 116.55 119.66 2feb n ASP 22 Ca 0.00 -2.00 0.00 0.00 0.71 0.00 0.00 54.79 53.50 2feb n ASP 22 Cb 0.00 0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 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 0.22 0.17 0.00 0.44 0.00 -1.24 -3.24 105.19 101.54 2feb n GLY 23 Ca -0.11 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 0.91 -1.30 1.61 10.64 -0.24 -4.31 117.38 124.69 2feb n GLN 24 Ca 0.00 0.00 -0.10 0.00 -1.83 0.00 0.00 57.00 55.07 2feb n GLN 24 Cb 0.00 0.00 -0.04 0.00 -0.86 0.00 0.00 30.24 29.34 2feb n GLN 24 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 2feb n SER 25 N -0.47 -4.52 -3.10 2.61 3.41 -1.26 -4.23 113.62 106.05 2feb n SER 25 Ca 0.00 0.26 -0.00 0.00 -0.26 0.00 0.00 58.87 58.86 2feb n SER 25 Cb 0.00 -2.93 -0.00 0.00 -0.26 0.00 0.00 64.21 61.02 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 -2.61 -0.55 -2.73 7.33 4.11 -1.26 -5.00 117.16 116.45 2feb n TYR 26 Ca -0.10 0.26 -0.04 0.00 -0.00 0.00 0.00 57.90 58.02 2feb n TYR 26 Cb 0.39 -1.40 0.02 0.00 -0.00 0.00 0.00 39.34 38.35 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 1.48 0.40 0.00 -3.48 1.85 -1.26 -5.01 116.66 110.64 2feb n ARG 27 Ca -0.01 -1.56 0.00 0.00 -1.00 0.00 0.00 57.85 55.27 2feb n ARG 27 Cb 0.36 -0.91 0.00 0.00 -1.05 0.00 0.00 32.46 30.86 2feb n ARG 27 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2feb n GLY 28 N 2.68 -0.03 2.51 2.89 0.00 -1.26 -4.99 105.19 106.99 2feb n GLY 28 Ca 0.15 -0.03 -0.20 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.87 -0.19 -0.04 2.61 -2.24 -1.26 -4.84 114.28 106.45 2feb n THR 29 Ca 0.00 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.56 2feb n THR 29 Cb 0.00 -2.10 -0.13 0.00 -2.10 0.00 0.00 70.33 66.01 2feb n THR 29 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2feb n LEU 30 N -2.46 2.32 0.00 3.22 4.77 -1.26 -4.97 117.00 118.62 2feb n LEU 30 Ca -0.21 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 2feb n LEU 30 Cb 0.66 -1.06 0.00 0.00 -2.33 0.00 0.00 43.42 40.69 2feb n LEU 30 CO 0.30 0.62 0.00 -1.20 -1.33 0.00 0.00 177.39 175.78 2feb n SER 31 N -3.87 -3.27 -1.13 -1.43 7.64 -1.26 -4.92 113.62 105.37 2feb n SER 31 Ca -0.32 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.56 2feb n SER 31 Cb 0.90 -1.66 0.00 0.00 -1.01 0.00 0.00 64.21 62.44 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 -2.42 0.00 0.00 0.44 -1.04 -1.26 -3.34 114.28 106.66 2feb n THR 32 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2feb n THR 32 Cb 0.17 -0.69 0.00 0.00 -1.82 0.00 0.00 70.33 67.99 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 0.00 0.00 0.00 12.58 5.66 0.16 -3.45 114.28 129.23 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 -0.56 0.00 -2.74 1.09 2.08 -1.25 0.47 119.36 118.45 2feb n ILE 34 Ca 0.00 0.00 -0.01 0.00 0.56 0.00 0.00 62.75 63.30 2feb n ILE 34 Cb 0.00 0.00 0.10 0.00 -0.75 0.00 0.00 39.64 38.99 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 -0.79 0.52 0.00 1.39 -1.04 -1.26 -3.74 114.28 109.36 2feb n THR 35 Ca 0.00 -1.80 0.00 0.00 -2.04 0.00 0.00 64.05 60.21 2feb n THR 35 Cb 0.00 1.12 0.00 0.00 -1.82 0.00 0.00 70.33 69.63 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 -1.15 0.00 3.37 3.41 0.00 -1.26 -4.90 105.19 104.66 2feb n GLY 36 Ca -0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 2feb n GLY 36 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2feb s ARG 37 N 0.00 0.53 0.00 1.61 0.52 -1.26 -4.88 118.95 115.47 2feb s ARG 37 Ca 0.00 0.70 0.00 0.00 -0.52 0.00 0.00 55.73 55.91 2feb s ARG 37 Cb 0.00 0.22 0.00 0.00 0.52 0.00 0.00 34.95 35.69 2feb s ARG 37 CO 0.00 -0.08 0.00 0.25 0.02 0.00 0.00 175.30 175.49 2feb n THR 38 N 3.11 0.00 -0.71 0.02 -2.24 -1.26 0.38 114.28 113.59 2feb n THR 38 Ca -0.15 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.70 2feb n THR 38 Cb 0.57 -1.60 0.18 0.00 -2.10 0.00 0.00 70.33 67.37 2feb n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2feb n GLN 40 N -0.49 -5.16 -2.49 0.00 1.13 -1.25 -3.42 117.38 105.71 2feb n GLN 40 Ca 0.15 3.71 -0.42 0.00 -1.94 0.00 0.00 57.00 58.50 2feb n GLN 40 Cb 0.65 -4.05 -0.03 0.00 0.11 0.00 0.00 30.24 26.93 2feb n GLN 40 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 2feb s SER 41 N -1.55 7.16 -0.82 1.08 1.04 -1.26 -4.45 113.70 114.90 2feb s SER 41 Ca 0.00 1.97 -0.24 0.00 0.48 0.00 0.00 55.95 58.17 2feb s SER 41 Cb 0.00 -2.58 -0.17 0.00 0.10 0.00 0.00 66.02 63.37 2feb s SER 41 CO 0.00 -0.39 1.89 0.79 0.98 0.00 0.00 173.24 176.52 2feb n TRP 42 N 3.62 1.83 0.00 5.02 7.02 -0.56 -1.11 117.44 133.26 2feb n TRP 42 Ca 0.07 -1.42 0.00 0.00 -1.02 0.00 0.00 57.50 55.13 2feb n TRP 42 Cb 0.47 -1.92 0.00 0.00 -2.42 0.00 0.00 31.31 27.44 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 10.65 0.00 -4.57 -0.99 2.88 -1.26 -4.11 113.62 116.22 2feb n SER 43 Ca 0.47 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.59 2feb n SER 43 Cb 0.43 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.89 2feb n SER 43 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2feb n SER 44 N 0.00 4.88 -4.48 -3.46 2.88 -0.27 -4.93 113.62 108.25 2feb n SER 44 Ca 0.00 -2.91 -0.43 0.00 -1.33 0.00 0.00 58.87 54.19 2feb n SER 44 Cb 0.00 -1.75 -0.05 0.00 -0.75 0.00 0.00 64.21 61.66 2feb n SER 44 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 2feb s MET 45 N 4.28 3.21 0.08 -1.46 1.00 -1.26 -4.69 119.30 120.46 2feb s MET 45 Ca 0.54 -0.62 0.00 0.00 0.00 0.00 0.00 55.69 55.61 2feb s MET 45 Cb 0.04 -4.11 0.00 0.00 0.00 0.00 0.00 34.83 30.76 2feb s MET 45 CO 0.08 -1.46 0.00 0.25 0.00 0.00 0.00 175.02 173.89 2feb n THR 46 N 5.93 0.00 -0.03 2.05 -2.24 -1.26 -4.98 114.28 113.75 2feb n THR 46 Ca -0.02 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.59 2feb n THR 46 Cb 0.46 -0.05 -0.09 0.00 -2.10 0.00 0.00 70.33 68.56 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 0.53 -2.71 -0.78 0.13 -1.97 -3.46 132.00 123.73 2feb h PRO 47 Ca 0.00 -0.43 -0.11 0.00 -0.87 0.00 0.00 66.00 64.59 2feb h PRO 47 Cb 0.00 0.09 -0.22 0.00 0.13 0.00 0.00 31.00 31.00 2feb h PRO 47 CO 0.00 1.06 -0.18 -3.38 -0.23 0.00 0.00 178.00 175.27 2feb s HIS 48 N -3.67 -0.41 1.16 1.56 -3.43 -1.26 -5.11 115.29 104.13 2feb s HIS 48 Ca -0.13 0.91 -0.17 0.00 -0.80 0.00 0.00 55.06 54.87 2feb s HIS 48 Cb 0.06 0.17 0.18 0.00 -1.43 0.00 0.00 32.58 31.55 2feb s HIS 48 CO 0.83 -0.32 0.32 0.91 -2.00 0.00 0.00 174.74 174.48 2feb n TRP 49 N 2.20 -1.65 -4.41 0.38 7.02 -1.26 -4.77 117.44 114.95 2feb n TRP 49 Ca -0.16 -0.02 -0.20 0.00 -1.02 0.00 0.00 57.50 56.10 2feb n TRP 49 Cb 0.57 -1.56 -0.10 0.00 -2.42 0.00 0.00 31.31 27.80 2feb n TRP 49 CO 0.00 0.00 0.00 -1.01 -2.02 0.00 0.00 177.69 174.66 2feb s HIS 50 N -2.25 1.82 0.00 -5.99 3.76 -1.26 -5.03 115.29 106.35 2feb s HIS 50 Ca 0.58 -1.04 0.00 0.00 -0.15 0.00 0.00 55.06 54.45 2feb s HIS 50 Cb -0.14 -1.16 0.00 0.00 1.11 0.00 0.00 32.58 32.39 2feb s HIS 50 CO 0.63 -0.11 0.00 2.89 -0.85 0.00 0.00 174.74 177.29 2feb n ARG 51 N -0.62 0.43 -1.57 1.40 1.85 -1.26 -4.68 116.66 112.20 2feb n ARG 51 Ca -0.02 0.00 -0.14 0.00 -1.00 0.00 0.00 57.85 56.70 2feb n ARG 51 Cb 0.66 0.00 -0.10 0.00 -1.05 0.00 0.00 32.46 31.97 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 -0.41 0.25 -0.77 2.89 1.74 -1.26 -4.89 116.66 114.20 2feb n ARG 52 Ca 0.00 -1.41 -0.33 0.00 -0.77 0.00 0.00 57.85 55.34 2feb n ARG 52 Cb 0.00 -3.85 0.13 0.00 -1.02 0.00 0.00 32.46 27.72 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 9.00 0.00 -0.27 0.55 -5.35 -1.26 -4.60 119.36 117.42 2feb n ILE 53 Ca 0.43 -0.23 -0.11 0.00 -0.27 0.00 0.00 62.75 62.57 2feb n ILE 53 Cb 0.46 -0.60 -0.03 0.00 -1.74 0.00 0.00 39.64 37.73 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 -1.67 0.00 0.00 6.28 -0.04 -1.26 -2.62 135.00 135.68 2feb n PRO 54 Ca 0.05 -0.51 0.00 0.00 -0.04 0.00 0.00 63.50 62.99 2feb n PRO 54 Cb 0.56 -1.90 0.00 0.00 -0.04 0.00 0.00 33.50 32.12 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 5.51 0.00 -0.05 1.53 7.94 -1.26 -4.94 117.00 125.73 2feb n LEU 55 Ca 0.12 0.00 -0.22 0.00 -1.11 0.00 0.00 56.01 54.80 2feb n LEU 55 Cb 0.12 0.00 -0.13 0.00 0.53 0.00 0.00 43.42 43.94 2feb n LEU 55 CO 0.58 0.00 -0.77 -1.22 -1.11 0.00 0.00 177.39 174.87 2feb n TYR 56 N -1.14 1.06 -2.81 1.96 4.02 -1.08 -4.93 117.16 114.24 2feb n TYR 56 Ca 0.00 0.30 -0.31 0.00 -0.01 0.00 0.00 57.90 57.88 2feb n TYR 56 Cb 0.00 -1.13 -0.04 0.00 -0.02 0.00 0.00 39.34 38.15 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 -2.49 3.44 -0.58 -0.72 1.13 -1.26 -4.93 117.35 111.95 2feb s TYR 57 Ca -0.26 1.20 -0.04 0.00 -1.41 0.00 0.00 57.07 56.56 2feb s TYR 57 Cb 0.07 -2.56 -0.06 0.00 -1.10 0.00 0.00 41.96 38.32 2feb s TYR 57 CO 0.68 -0.13 1.89 -0.35 -2.51 0.00 0.00 175.55 175.14 2feb n PRO 58 N -1.15 1.50 -2.65 -3.49 -0.04 -1.26 -4.70 135.00 123.22 2feb n PRO 58 Ca 0.04 -1.09 -0.05 0.00 -0.04 0.00 0.00 63.50 62.35 2feb n PRO 58 Cb 0.54 -2.22 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 4.03 -1.00 -0.36 3.54 5.03 -1.26 -4.77 115.26 120.46 2feb n ASN 59 Ca 0.32 -0.19 0.05 0.00 0.87 0.00 0.00 54.58 55.63 2feb n ASN 59 Cb 0.17 -0.33 0.20 0.00 -1.02 0.00 0.00 39.78 38.80 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 1.00 1.42 0.00 5.41 0.00 -2.02 -3.46 119.26 121.62 2feb h ALA 60 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2feb h ALA 60 Cb 0.29 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2feb h ALA 60 CO 0.07 0.31 0.00 0.41 0.00 0.00 0.00 179.25 180.05 2feb n GLY 61 N -1.35 0.18 3.73 0.00 0.00 -1.26 -5.13 105.19 101.36 2feb n GLY 61 Ca 0.17 -0.60 -0.40 0.00 0.00 0.00 0.00 46.02 45.19 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 4.36 -1.60 0.99 1.02 -1.26 -4.96 118.68 117.23 2feb s LEU 62 Ca 0.00 1.28 -0.10 0.00 0.02 0.00 0.00 54.13 55.33 2feb s LEU 62 Cb 0.00 -3.14 -0.07 0.00 0.02 0.00 0.00 46.19 42.99 2feb s LEU 62 CO 0.00 -0.08 2.86 0.35 0.02 0.00 0.00 176.35 179.50 2feb n THR 63 N 3.49 4.19 0.00 5.49 -2.24 -1.26 -4.89 114.28 119.06 2feb n THR 63 Ca -0.01 -2.62 0.00 0.00 -2.27 0.00 0.00 64.05 59.15 2feb n THR 63 Cb 0.51 -2.61 0.00 0.00 -2.10 0.00 0.00 70.33 66.13 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 3.91 0.00 -2.11 -0.78 1.74 -1.26 -1.48 116.66 116.67 2feb n ARG 64 Ca 0.75 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 57.57 2feb n ARG 64 Cb 0.25 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 31.71 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 6.27 5.13 -4.43 0.55 6.94 -1.26 -1.50 115.26 126.96 2feb n ASN 65 Ca 0.00 -3.75 -0.44 0.00 -0.02 0.00 0.00 54.58 50.38 2feb n ASN 65 Cb 0.00 -0.44 -0.04 0.00 -2.36 0.00 0.00 39.78 36.94 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 -3.61 2.87 0.00 -2.53 1.51 -0.55 -4.01 117.35 111.03 2feb s TYR 66 Ca 0.51 -0.88 0.00 0.00 -1.01 0.00 0.00 57.07 55.69 2feb s TYR 66 Cb 0.41 -4.22 0.00 0.00 -0.11 0.00 0.00 41.96 38.04 2feb s TYR 66 CO -0.05 -1.52 0.00 0.00 -1.11 0.00 0.00 175.55 172.87 2feb s ARG 68 N 0.00 1.31 0.02 0.00 1.70 -1.26 -4.83 118.95 115.88 2feb s ARG 68 Ca 0.00 -0.81 0.04 0.00 -0.47 0.00 0.00 55.73 54.49 2feb s ARG 68 Cb 0.00 0.39 -0.02 0.00 -0.57 0.00 0.00 34.95 34.75 2feb s ARG 68 CO 0.00 -0.61 -0.12 0.54 -1.08 0.00 0.00 175.30 174.03 2feb s ASN 69 N -3.25 1.43 0.52 -2.89 2.20 -1.26 -3.45 114.94 108.24 2feb s ASN 69 Ca 0.19 -0.35 0.26 0.00 -0.94 0.00 0.00 52.86 52.02 2feb s ASN 69 Cb -0.02 -0.11 1.45 0.00 -2.00 0.00 0.00 41.25 40.57 2feb s ASN 69 CO 0.05 0.06 2.09 1.55 -2.94 0.00 0.00 177.10 177.91 2feb h PRO 70 N 5.31 0.00 0.00 3.55 0.13 -2.02 -3.43 132.00 135.54 2feb h PRO 70 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 2feb h PRO 70 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2feb h PRO 70 CO 0.46 0.11 0.00 -0.25 -0.23 0.00 0.00 178.00 178.09 2feb n ASP 71 N -3.77 0.00 -3.64 1.44 8.00 -1.26 -5.14 116.55 112.18 2feb n ASP 71 Ca -0.02 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.38 2feb n ASP 71 Cb 0.21 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.24 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 -2.23 -1.86 0.00 2.24 0.00 -1.26 -4.65 121.76 114.00 2feb s ALA 72 Ca 0.00 2.26 0.00 0.00 0.00 0.00 0.00 51.96 54.22 2feb s ALA 72 Cb 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 23.12 21.78 2feb s ALA 72 CO 0.00 -0.36 0.00 -1.91 0.00 0.00 0.00 175.76 173.49 2feb n GLU 73 N 3.64 0.00 0.00 0.00 2.13 -1.26 -5.09 120.64 120.06 2feb n GLU 73 Ca -0.18 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.64 2feb n GLU 73 Cb 0.57 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.28 2feb n GLU 73 CO 0.00 0.00 0.00 0.44 -0.41 0.00 0.00 177.13 177.16 2feb n ILE 74 N 0.00 0.00 -2.79 6.31 -5.35 -1.20 -4.12 119.36 112.21 2feb n ILE 74 Ca 0.00 0.00 -0.42 0.00 -0.27 0.00 0.00 62.75 62.06 2feb n ILE 74 Cb 0.00 0.00 -0.03 0.00 -1.74 0.00 0.00 39.64 37.87 2feb n ILE 74 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 2feb s ARG 75 N 0.00 4.49 1.26 6.28 6.06 -1.26 -1.08 118.95 134.70 2feb s ARG 75 Ca 0.00 1.27 -0.19 0.00 -2.50 0.00 0.00 55.73 54.32 2feb s ARG 75 Cb 0.00 -3.48 0.28 0.00 0.06 0.00 0.00 34.95 31.82 2feb s ARG 75 CO 0.00 -0.09 0.64 -0.35 -2.50 0.00 0.00 175.30 173.00 2feb n PRO 76 N 4.14 -3.58 -3.38 5.12 -0.04 -1.26 -4.88 135.00 131.11 2feb n PRO 76 Ca 0.05 -1.06 -0.16 0.00 -0.04 0.00 0.00 63.50 62.29 2feb n PRO 76 Cb 0.51 -1.74 -0.09 0.00 -0.04 0.00 0.00 33.50 32.13 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 -2.12 -0.55 0.27 0.54 1.48 -1.22 -4.31 118.94 113.03 2feb s TRP 77 Ca 0.54 -0.09 0.06 0.00 -1.06 0.00 0.00 56.10 55.55 2feb s TRP 77 Cb -0.11 -0.41 -0.02 0.00 -1.16 0.00 0.00 33.47 31.77 2feb s TRP 77 CO 0.47 -0.93 0.22 0.00 -4.06 0.00 0.00 176.95 172.65 2feb n TYR 79 N -0.53 0.00 -3.67 0.00 4.01 -1.22 0.14 117.16 115.89 2feb n TYR 79 Ca 0.05 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.66 2feb n TYR 79 Cb 0.49 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.45 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 0.99 0.05 0.42 -0.72 -4.23 -1.25 -3.55 115.64 107.35 2feb s THR 80 Ca 0.00 -0.45 0.09 0.00 -1.18 0.00 0.00 61.69 60.15 2feb s THR 80 Cb 0.00 -0.93 0.22 0.00 1.34 0.00 0.00 72.50 73.13 2feb s THR 80 CO 0.00 -0.25 2.01 -0.03 -0.54 0.00 0.00 174.62 175.81 2feb h MET 81 N 3.06 0.34 -6.09 3.99 4.05 -1.90 -3.41 114.93 114.96 2feb h MET 81 Ca -0.31 -0.04 -0.58 0.00 -0.28 0.00 0.00 59.70 58.49 2feb h MET 81 Cb 1.20 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.93 2feb h MET 81 CO 0.43 0.32 1.41 0.34 0.23 0.00 0.00 176.91 179.64 2feb s ASP 82 N -6.83 5.67 -0.33 1.39 -1.08 -1.26 -4.84 116.67 109.40 2feb s ASP 82 Ca -0.07 1.83 -0.04 0.00 -0.52 0.00 0.00 52.55 53.76 2feb s ASP 82 Cb 0.16 -2.52 -0.10 0.00 -1.46 0.00 0.00 42.92 39.01 2feb s ASP 82 CO 0.72 -1.80 2.07 -0.81 0.52 0.00 0.00 175.17 175.88 2feb n PRO 83 N 8.53 1.37 -0.97 4.34 -0.04 -1.26 -3.07 135.00 143.91 2feb n PRO 83 Ca 0.27 -0.85 -0.07 0.00 -0.04 0.00 0.00 63.50 62.81 2feb n PRO 83 Cb 0.45 -2.01 -0.07 0.00 -0.04 0.00 0.00 33.50 31.83 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 3.35 -0.94 0.02 3.54 7.64 -1.26 -5.01 113.62 120.95 2feb n SER 84 Ca 0.29 -1.91 0.00 0.00 1.01 0.00 0.00 58.87 58.27 2feb n SER 84 Cb 0.33 0.28 0.00 0.00 -1.01 0.00 0.00 64.21 63.81 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 0.07 0.00 0.44 0.31 -1.17 -5.03 118.33 112.94 2feb n VAL 85 Ca -0.26 0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 2feb n VAL 85 Cb 0.68 -0.41 0.00 0.00 -0.91 0.00 0.00 33.84 33.20 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 -2.67 0.00 -3.59 5.55 0.00 -1.26 -4.94 116.66 109.76 2feb n ARG 86 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.85 57.72 2feb n ARG 86 Cb 0.00 -0.24 -0.06 0.00 0.00 0.00 0.00 32.46 32.16 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 -1.59 -0.58 0.21 -0.14 -0.11 -1.26 -4.44 118.94 111.02 2feb s TRP 87 Ca 0.00 1.24 -0.16 0.00 1.22 0.00 0.00 56.10 58.40 2feb s TRP 87 Cb 0.00 0.37 0.02 0.00 -1.50 0.00 0.00 33.47 32.36 2feb s TRP 87 CO 0.00 -0.40 0.51 -1.21 -4.62 0.00 0.00 176.95 171.24 2feb s GLU 88 N -0.40 1.44 0.00 5.86 0.41 0.37 -4.90 118.70 121.48 2feb s GLU 88 Ca -0.03 -0.98 0.00 0.00 -0.41 0.00 0.00 54.97 53.55 2feb s GLU 88 Cb -0.03 0.51 0.00 0.00 -1.78 0.00 0.00 34.13 32.83 2feb s GLU 88 CO 0.02 -0.61 0.00 0.66 -0.49 0.00 0.00 175.26 174.84 2feb n TYR 89 N -0.35 0.00 -3.68 1.61 4.02 -1.26 -1.50 117.16 116.00 2feb n TYR 89 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.82 2feb n TYR 89 Cb 0.62 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.94 2feb n TYR 89 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2feb s ASN 91 N -1.13 3.77 -0.30 0.00 2.20 -1.21 -3.96 114.94 114.31 2feb s ASN 91 Ca 0.01 -1.92 -0.02 0.00 -0.94 0.00 0.00 52.86 49.99 2feb s ASN 91 Cb -0.00 -0.81 0.19 0.00 -2.00 0.00 0.00 41.25 38.63 2feb s ASN 91 CO 0.00 -0.37 0.64 -1.48 -2.94 0.00 0.00 177.10 172.95 2feb s LEU 92 N 1.28 -1.30 0.14 3.54 2.34 -1.23 -2.60 118.68 120.84 2feb s LEU 92 Ca 0.13 0.86 -0.28 0.00 0.06 0.00 0.00 54.13 54.89 2feb s LEU 92 Cb -0.20 2.11 -0.07 0.00 -0.56 0.00 0.00 46.19 47.47 2feb s LEU 92 CO -0.17 -0.24 0.89 0.42 -1.06 0.00 0.00 176.35 176.19 2feb s THR 93 N 2.87 4.40 -0.19 5.48 -4.23 1.03 -4.10 115.64 120.89 2feb s THR 93 Ca 0.18 1.93 -0.28 0.00 -1.18 0.00 0.00 61.69 62.34 2feb s THR 93 Cb -0.14 -4.25 -0.05 0.00 1.34 0.00 0.00 72.50 69.39 2feb s THR 93 CO -0.20 0.41 2.07 -0.13 -0.54 0.00 0.00 174.62 176.23 2feb s ARG 94 N -0.55 3.38 -0.05 3.99 1.81 -1.26 0.55 118.95 126.83 2feb s ARG 94 Ca 0.42 2.01 -0.00 0.00 -1.72 0.00 0.00 55.73 56.43 2feb s ARG 94 Cb -0.24 -4.28 -0.00 0.00 -0.45 0.00 0.00 34.95 29.98 2feb s ARG 94 CO 0.29 -1.81 -0.01 0.00 -0.68 0.00 0.00 175.30 173.08 2feb n PRO 96 N -3.25 -0.80 -3.23 0.00 -0.04 -1.26 -3.52 135.00 122.90 2feb n PRO 96 Ca -0.00 -0.20 -0.21 0.00 -0.04 0.00 0.00 63.50 63.05 2feb n PRO 96 Cb 0.01 -1.73 0.05 0.00 -0.04 0.00 0.00 33.50 31.80 2feb n PRO 96 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2feb n VAL 97 N -3.87 -2.27 -0.01 0.52 0.31 -1.26 -4.95 118.33 106.80 2feb n VAL 97 Ca 0.04 0.00 -0.00 0.00 -0.01 0.00 0.00 64.34 64.37 2feb n VAL 97 Cb 0.58 -3.49 -0.00 0.00 -0.91 0.00 0.00 33.84 30.02 2feb n VAL 97 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 2feb h THR 98 N -1.88 0.00 0.00 2.52 2.02 -1.91 -3.50 112.91 110.17 2feb h THR 98 Ca -0.49 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.48 2feb h THR 98 Cb 1.33 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 2feb h THR 98 CO 0.50 0.00 0.00 -1.84 0.37 0.00 0.00 175.52 174.55 2feb n GLU 99 N -2.58 0.00 -3.24 6.66 0.28 -1.26 -5.06 120.64 115.45 2feb n GLU 99 Ca -0.00 0.00 -0.21 0.00 -0.16 0.00 0.00 57.16 56.79 2feb n GLU 99 Cb 0.00 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 32.80 2feb n GLU 99 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 2feb s SER 100 N -1.59 0.72 0.14 -1.84 1.04 -1.26 -5.13 113.70 105.77 2feb s SER 100 Ca 0.00 -2.71 0.03 0.00 0.48 0.00 0.00 55.95 53.75 2feb s SER 100 Cb 0.00 0.15 -0.04 0.00 0.10 0.00 0.00 66.02 66.23 2feb s SER 100 CO 0.00 -0.14 0.20 -0.44 0.98 0.00 0.00 173.24 173.83 2feb s SER 101 N 0.29 5.92 0.00 7.02 0.01 -1.26 -5.18 113.70 120.50 2feb s SER 101 Ca 0.32 0.04 0.02 0.00 1.31 0.00 0.00 55.95 57.64 2feb s SER 101 Cb 0.02 -1.68 0.14 0.00 0.21 0.00 0.00 66.02 64.71 2feb s SER 101 CO -0.16 0.08 0.62 1.33 0.41 0.00 0.00 173.24 175.53