#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q91 h PRO 4 N 5.50 0.19 -0.33 0.00 0.11 -2.05 -1.84 132.00 133.58 2q91 h PRO 4 Ca 0.14 -0.01 -0.16 0.00 0.11 0.00 0.00 66.00 66.08 2q91 h PRO 4 Cb 0.78 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.84 2q91 h PRO 4 CO 0.68 0.12 -0.43 1.25 -0.21 0.00 0.00 178.00 179.41 2q91 h LEU 5 N 0.19 0.89 -0.81 2.35 5.85 -1.99 0.63 115.31 122.42 2q91 h LEU 5 Ca 0.37 -0.42 -0.07 0.00 0.84 0.00 0.00 57.88 58.59 2q91 h LEU 5 Cb 1.15 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.90 2q91 h LEU 5 CO -0.07 1.19 0.11 -0.33 -0.34 0.00 0.00 178.44 179.01 2q91 h GLU 6 N 0.66 1.00 -0.31 1.25 5.08 -1.78 -1.30 114.58 119.19 2q91 h GLU 6 Ca 0.05 -0.25 -0.10 0.00 -1.00 0.00 0.00 59.36 58.05 2q91 h GLU 6 Cb 1.01 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 2q91 h GLU 6 CO 0.10 0.92 -0.24 0.87 -1.00 0.00 0.00 179.01 179.65 2q91 h LYS 7 N 0.95 0.60 -0.33 2.33 6.56 -1.19 -1.46 116.57 124.04 2q91 h LYS 7 Ca 0.19 -0.24 -0.03 0.00 -1.06 0.00 0.00 60.65 59.52 2q91 h LYS 7 Cb 0.39 -0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 32.01 2q91 h LYS 7 CO 0.01 0.80 0.10 0.00 -2.06 0.00 0.00 179.45 178.29 2q91 h ALA 8 N 1.21 0.43 -0.79 3.86 0.00 -0.53 -0.88 119.26 122.56 2q91 h ALA 8 Ca 0.08 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2q91 h ALA 8 Cb 0.70 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 2q91 h ALA 8 CO 0.05 0.07 0.42 -0.07 0.00 0.00 0.00 179.25 179.72 2q91 h LEU 9 N 0.38 1.01 -0.78 0.00 3.38 -1.01 -0.23 115.31 118.06 2q91 h LEU 9 Ca 0.11 -0.11 0.05 0.00 0.09 0.00 0.00 57.88 58.02 2q91 h LEU 9 Cb 0.26 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.69 2q91 h LEU 9 CO -0.00 0.83 0.48 -0.78 0.09 0.00 0.00 178.44 179.06 2q91 h ASP 10 N 1.11 0.75 0.02 -0.43 3.58 -0.91 -1.48 116.42 119.06 2q91 h ASP 10 Ca 0.28 0.02 -0.15 0.00 0.42 0.00 0.00 57.03 57.60 2q91 h ASP 10 Cb 0.06 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 40.96 2q91 h ASP 10 CO -0.04 0.49 -0.48 0.58 -2.88 0.00 0.00 179.24 176.91 2q91 h VAL 11 N 0.89 1.31 -0.36 2.25 2.07 -0.48 -1.11 116.25 120.82 2q91 h VAL 11 Ca 0.34 -1.69 0.02 0.00 0.82 0.00 0.00 66.70 66.18 2q91 h VAL 11 Cb 0.13 1.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 2q91 h VAL 11 CO -0.16 0.53 0.21 -0.03 0.02 0.00 0.00 177.57 178.13 2q91 h MET 12 N 0.43 0.41 0.11 1.57 1.85 -0.59 -0.39 114.93 118.31 2q91 h MET 12 Ca 0.02 -0.02 -0.01 0.00 -0.61 0.00 0.00 59.70 59.08 2q91 h MET 12 Cb 1.00 -0.09 0.00 0.00 0.43 0.00 0.00 31.60 32.94 2q91 h MET 12 CO 0.09 0.27 -0.05 0.28 -0.40 0.00 0.00 176.91 177.10 2q91 h VAL 13 N 0.42 1.07 -0.42 -5.77 2.07 -1.08 -3.19 116.25 109.35 2q91 h VAL 13 Ca 0.15 -0.75 -0.07 0.00 0.82 0.00 0.00 66.70 66.84 2q91 h VAL 13 Cb 0.02 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 2q91 h VAL 13 CO -0.08 0.18 -0.04 0.77 0.02 0.00 0.00 177.57 178.43 2q91 h SER 14 N -0.50 0.67 -0.44 0.57 4.64 -1.14 -2.75 113.55 114.60 2q91 h SER 14 Ca -0.02 -0.16 -0.05 0.00 -0.47 0.00 0.00 61.79 61.09 2q91 h SER 14 Cb 0.41 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.30 2q91 h SER 14 CO 0.02 0.76 0.11 0.74 -0.87 0.00 0.00 176.83 177.60 2q91 h THR 15 N 0.65 1.22 -0.15 2.95 2.02 -1.13 -0.57 112.91 117.89 2q91 h THR 15 Ca 0.13 -0.79 0.02 0.00 0.77 0.00 0.00 66.41 66.53 2q91 h THR 15 Cb 0.46 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.56 2q91 h THR 15 CO 0.02 0.29 0.01 0.15 0.37 0.00 0.00 175.52 176.37 2q91 h PHE 16 N 0.74 0.02 0.00 3.16 3.57 -1.47 -2.76 116.94 120.19 2q91 h PHE 16 Ca 0.16 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.60 2q91 h PHE 16 Cb 0.29 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 2q91 h PHE 16 CO 0.02 -0.00 -0.34 0.45 -2.23 0.00 0.00 178.31 176.21 2q91 h HIS 17 N 0.07 0.00 -0.61 0.41 3.86 -1.38 0.83 115.15 118.33 2q91 h HIS 17 Ca 0.07 0.00 0.12 0.00 -1.16 0.00 0.00 60.37 59.40 2q91 h HIS 17 Cb 0.07 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.51 2q91 h HIS 17 CO -0.14 0.34 0.41 -0.22 0.86 0.00 0.00 177.93 179.18 2q91 h LYS 18 N 0.00 0.28 0.00 2.45 3.64 -0.81 -2.97 116.57 119.16 2q91 h LYS 18 Ca -0.00 -0.02 -0.22 0.00 -1.27 0.00 0.00 60.65 59.14 2q91 h LYS 18 Cb 0.81 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.52 2q91 h LYS 18 CO 0.04 0.19 -1.83 0.66 -2.27 0.00 0.00 179.45 176.24 2q91 n TYR 19 N -4.45 0.00 0.24 1.91 4.01 -0.96 -4.63 117.16 113.28 2q91 n TYR 19 Ca 0.11 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.97 2q91 n TYR 19 Cb 0.47 -0.59 0.48 0.00 -0.31 0.00 0.00 39.34 39.38 2q91 n TYR 19 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2q91 h SER 20 N 0.00 0.00 -0.08 7.72 4.64 -0.75 -2.44 113.55 122.64 2q91 h SER 20 Ca -0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 2q91 h SER 20 Cb 1.73 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.82 2q91 h SER 20 CO 0.01 0.13 0.00 0.61 -0.87 0.00 0.00 176.83 176.71 2q91 n GLY 21 N 0.30 0.03 0.22 -0.77 0.00 -1.13 -4.17 105.19 99.67 2q91 n GLY 21 Ca 0.01 -0.41 -0.12 0.00 0.00 0.00 0.00 46.02 45.50 2q91 n GLY 21 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2q91 h LYS 22 N 2.06 0.64 -3.68 1.61 1.57 -1.71 -3.46 116.57 113.60 2q91 h LYS 22 Ca 0.00 -0.44 -0.20 0.00 -1.87 0.00 0.00 60.65 58.14 2q91 h LYS 22 Cb 0.44 0.07 -0.25 0.00 0.08 0.00 0.00 32.23 32.57 2q91 h LYS 22 CO 0.00 1.06 -0.65 -1.21 -0.57 0.00 0.00 179.45 178.09 2q91 s GLU 23 N -3.92 0.17 5.02 3.15 2.02 -1.26 -5.12 118.70 118.76 2q91 s GLU 23 Ca -0.08 -0.14 0.00 0.00 0.02 0.00 0.00 54.97 54.76 2q91 s GLU 23 Cb 0.10 0.07 0.00 0.00 0.10 0.00 0.00 34.13 34.40 2q91 s GLU 23 CO 0.86 -0.03 0.00 0.41 0.02 0.00 0.00 175.26 176.52 2q91 n GLY 24 N 2.52 2.41 3.68 -1.39 0.00 -1.26 -4.44 105.19 106.71 2q91 n GLY 24 Ca -0.16 -0.41 -0.50 0.00 0.00 0.00 0.00 46.02 44.95 2q91 n GLY 24 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2q91 n ASP 25 N -0.20 3.05 -0.03 1.61 -0.08 -1.26 -4.82 116.55 114.83 2q91 n ASP 25 Ca 0.00 1.03 0.15 0.00 -1.51 0.00 0.00 54.79 54.46 2q91 n ASP 25 Cb 0.00 -1.33 0.75 0.00 2.34 0.00 0.00 41.12 42.88 2q91 n ASP 25 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 2q91 n LYS 26 N 5.35 0.55 -0.18 -0.67 2.85 -1.26 -3.00 118.16 121.79 2q91 n LYS 26 Ca 0.22 -0.05 0.07 0.00 -1.05 0.00 0.00 58.31 57.50 2q91 n LYS 26 Cb 0.26 -1.50 0.17 0.00 -0.65 0.00 0.00 35.03 33.31 2q91 n LYS 26 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 2q91 n PHE 27 N -1.18 0.48 -4.02 5.58 3.72 -1.26 -3.62 117.46 117.17 2q91 n PHE 27 Ca 0.15 -0.39 -0.11 0.00 -0.05 0.00 0.00 57.45 57.05 2q91 n PHE 27 Cb 0.23 -0.01 -0.12 0.00 -0.94 0.00 0.00 39.48 38.64 2q91 n PHE 27 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 2q91 s LYS 28 N -1.05 0.39 -0.24 -1.08 1.02 -1.16 -4.01 119.74 113.60 2q91 s LYS 28 Ca 0.28 -0.60 -0.16 0.00 0.02 0.00 0.00 55.97 55.51 2q91 s LYS 28 Cb 0.15 -0.10 -0.04 0.00 -0.52 0.00 0.00 37.83 37.33 2q91 s LYS 28 CO 0.21 0.01 0.40 -0.51 -0.92 0.00 0.00 175.35 174.53 2q91 s LEU 29 N -1.31 4.10 0.00 3.17 1.43 0.61 -4.67 118.68 122.00 2q91 s LEU 29 Ca -0.11 0.43 -0.06 0.00 -1.03 0.00 0.00 54.13 53.36 2q91 s LEU 29 Cb -0.09 -2.50 0.11 0.00 0.03 0.00 0.00 46.19 43.75 2q91 s LEU 29 CO -0.00 -0.14 0.70 -0.46 0.23 0.00 0.00 176.35 176.67 2q91 n ASN 30 N 4.93 0.33 -0.26 2.29 0.23 -1.26 -0.62 115.26 120.90 2q91 n ASN 30 Ca -0.08 -1.42 -0.03 0.00 -0.53 0.00 0.00 54.58 52.52 2q91 n ASN 30 Cb 0.51 -0.51 0.09 0.00 -2.08 0.00 0.00 39.78 37.79 2q91 n ASN 30 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 2q91 h LYS 31 N 0.00 0.88 -0.29 -3.83 1.57 -1.99 0.88 116.57 113.79 2q91 h LYS 31 Ca -0.23 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.48 2q91 h LYS 31 Cb 0.69 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 2q91 h LYS 31 CO 0.19 0.58 0.11 1.03 -0.57 0.00 0.00 179.45 180.79 2q91 h SER 32 N 0.91 0.41 -0.34 0.86 0.87 -1.99 -0.77 113.55 113.49 2q91 h SER 32 Ca 0.30 -0.18 -0.16 0.00 -1.23 0.00 0.00 61.79 60.52 2q91 h SER 32 Cb 0.03 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 61.88 2q91 h SER 32 CO -0.11 0.47 -0.40 -0.33 -0.53 0.00 0.00 176.83 175.93 2q91 h GLU 33 N 0.31 0.87 -0.63 2.24 5.08 -1.83 -2.49 114.58 118.13 2q91 h GLU 33 Ca 0.10 -0.48 0.04 0.00 -1.00 0.00 0.00 59.36 58.02 2q91 h GLU 33 Cb 0.20 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.43 2q91 h GLU 33 CO -0.01 1.13 0.37 1.25 -1.00 0.00 0.00 179.01 180.75 2q91 h LEU 34 N 0.66 0.57 -0.62 1.33 5.85 -0.63 -0.53 115.31 121.93 2q91 h LEU 34 Ca 0.05 0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.84 2q91 h LEU 34 Cb 1.00 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.88 2q91 h LEU 34 CO 0.10 0.38 0.34 0.50 -0.34 0.00 0.00 178.44 179.42 2q91 h LYS 35 N 0.70 0.61 -0.25 1.25 3.64 -0.96 -0.67 116.57 120.90 2q91 h LYS 35 Ca 0.27 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.57 2q91 h LYS 35 Cb 0.11 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 2q91 h LYS 35 CO -0.14 0.41 0.00 0.93 -2.27 0.00 0.00 179.45 178.38 2q91 h GLU 36 N 0.63 0.44 -0.12 1.90 5.08 -1.10 -1.15 114.58 120.27 2q91 h GLU 36 Ca 0.28 -0.14 0.03 0.00 -1.00 0.00 0.00 59.36 58.53 2q91 h GLU 36 Cb 0.17 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 2q91 h GLU 36 CO -0.17 0.61 -0.07 1.25 -1.00 0.00 0.00 179.01 179.63 2q91 h LEU 37 N 0.22 -0.22 -0.21 1.33 6.46 -0.82 0.07 115.31 122.14 2q91 h LEU 37 Ca 0.07 0.05 -0.01 0.00 -0.12 0.00 0.00 57.88 57.88 2q91 h LEU 37 Cb 0.41 0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.45 2q91 h LEU 37 CO 0.01 -0.09 0.11 -0.07 -0.62 0.00 0.00 178.44 177.78 2q91 h LEU 38 N -0.06 0.27 -0.54 2.25 -0.00 -1.00 0.10 115.31 116.33 2q91 h LEU 38 Ca 0.07 -0.10 -0.07 0.00 -0.00 0.00 0.00 57.88 57.78 2q91 h LEU 38 Cb 0.17 -0.07 -0.02 0.00 -0.00 0.00 0.00 40.66 40.74 2q91 h LEU 38 CO -0.16 0.30 0.07 0.74 -0.00 0.00 0.00 178.44 179.39 2q91 h THR 39 N 0.22 1.26 0.01 0.22 2.02 -1.06 -1.34 112.91 114.24 2q91 h THR 39 Ca 0.07 -0.98 -0.28 0.00 0.77 0.00 0.00 66.41 65.99 2q91 h THR 39 Cb 0.09 0.84 -0.04 0.00 -1.74 0.00 0.00 68.15 67.30 2q91 h THR 39 CO -0.01 0.35 -1.58 0.03 0.37 0.00 0.00 175.52 174.69 2q91 h ARG 40 N 0.79 0.03 0.00 6.66 3.08 -0.93 -3.38 114.38 120.64 2q91 h ARG 40 Ca 0.16 -0.05 -0.09 0.00 0.07 0.00 0.00 59.98 60.07 2q91 h ARG 40 Cb 0.43 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.48 2q91 h ARG 40 CO 0.01 0.67 -1.49 0.39 -1.07 0.00 0.00 179.97 178.49 2q91 n GLU 41 N -3.15 1.76 -2.74 0.04 -0.58 0.35 -4.69 120.64 111.62 2q91 n GLU 41 Ca -0.14 -0.03 -0.20 0.00 -0.42 0.00 0.00 57.16 56.37 2q91 n GLU 41 Cb 1.03 -1.20 -0.00 0.00 -0.57 0.00 0.00 31.44 30.69 2q91 n GLU 41 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2q91 n LEU 42 N -2.10 2.95 0.27 -4.62 4.77 -0.53 -4.94 117.00 112.79 2q91 n LEU 42 Ca -0.09 -4.78 0.10 0.00 -0.03 0.00 0.00 56.01 51.22 2q91 n LEU 42 Cb 0.55 0.01 0.71 0.00 -2.33 0.00 0.00 43.42 42.37 2q91 n LEU 42 CO 0.17 2.05 1.05 1.55 -1.33 0.00 0.00 177.39 180.88 2q91 h PRO 43 N 2.86 0.00 0.00 3.23 0.13 -1.66 -1.51 132.00 135.05 2q91 h PRO 43 Ca 0.11 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.21 2q91 h PRO 43 Cb 0.94 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.07 2q91 h PRO 43 CO 0.67 0.04 -0.11 0.77 -0.23 0.00 0.00 178.00 179.14 2q91 h SER 44 N 0.00 0.00 0.43 1.44 0.02 -1.92 -1.72 113.55 111.80 2q91 h SER 44 Ca -0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 2q91 h SER 44 Cb 0.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.63 2q91 h SER 44 CO 0.01 0.11 -0.20 0.15 -1.14 0.00 0.00 176.83 175.75 2q91 h PHE 45 N 0.00 -0.53 0.00 3.45 3.57 -1.62 -3.32 116.94 118.49 2q91 h PHE 45 Ca -0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 2q91 h PHE 45 Cb 0.31 0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.22 2q91 h PHE 45 CO 0.00 -0.33 -0.37 -0.07 -2.23 0.00 0.00 178.31 175.31 2q91 h LEU 46 N -0.93 0.00 0.00 0.59 3.38 -1.71 -3.48 115.31 113.16 2q91 h LEU 46 Ca -0.06 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2q91 h LEU 46 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 2q91 h LEU 46 CO 0.10 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.24 2q91 n GLY 47 N 1.15 4.07 0.00 0.83 0.00 -0.65 -0.85 105.19 109.74 2q91 n GLY 47 Ca 0.03 0.17 0.13 0.00 0.00 0.00 0.00 46.02 46.35 2q91 n GLY 47 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2q91 n LYS 48 N 14.00 0.13 -2.05 1.61 5.02 -1.26 -4.52 118.16 131.10 2q91 n LYS 48 Ca 0.00 0.04 -0.41 0.00 -2.02 0.00 0.00 58.31 55.91 2q91 n LYS 48 Cb 0.00 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 33.51 2q91 n LYS 48 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2q91 n ARG 49 N -1.43 3.77 -0.66 1.97 5.12 -0.03 -4.58 116.66 120.83 2q91 n ARG 49 Ca 0.09 -3.23 0.08 0.00 -1.93 0.00 0.00 57.85 52.86 2q91 n ARG 49 Cb 0.28 -2.89 0.34 0.00 -1.16 0.00 0.00 32.46 29.03 2q91 n ARG 49 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 2q91 n THR 50 N 3.19 2.24 -1.83 0.55 -2.24 -1.26 -4.67 114.28 110.27 2q91 n THR 50 Ca 0.52 -1.42 -0.30 0.00 -2.27 0.00 0.00 64.05 60.58 2q91 n THR 50 Cb 0.32 -0.09 0.06 0.00 -2.10 0.00 0.00 70.33 68.52 2q91 n THR 50 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2q91 s ASP 51 N -1.10 5.18 0.40 3.42 -4.77 -1.26 -4.89 116.67 113.64 2q91 s ASP 51 Ca 0.49 1.13 0.07 0.00 -3.30 0.00 0.00 52.55 50.93 2q91 s ASP 51 Cb 0.35 -1.88 0.82 0.00 -1.09 0.00 0.00 42.92 41.12 2q91 s ASP 51 CO 0.17 -1.51 2.04 -0.33 0.70 0.00 0.00 175.17 176.24 2q91 h GLU 52 N -0.77 0.60 -0.46 2.11 4.39 -1.99 -2.14 114.58 116.31 2q91 h GLU 52 Ca -0.45 -0.04 -0.04 0.00 0.34 0.00 0.00 59.36 59.17 2q91 h GLU 52 Cb 1.26 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 29.76 2q91 h GLU 52 CO 0.63 0.40 0.13 0.00 -1.16 0.00 0.00 179.01 179.01 2q91 h ALA 53 N 1.70 0.60 -0.42 3.43 0.00 -1.97 -0.62 119.26 121.98 2q91 h ALA 53 Ca 0.19 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2q91 h ALA 53 Cb 0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2q91 h ALA 53 CO -0.04 0.27 0.15 0.00 0.00 0.00 0.00 179.25 179.62 2q91 h ALA 54 N 0.99 0.55 -0.28 0.00 0.00 -1.77 -1.56 119.26 117.18 2q91 h ALA 54 Ca 0.15 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 2q91 h ALA 54 Cb 0.29 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2q91 h ALA 54 CO -0.00 0.18 -0.20 0.74 0.00 0.00 0.00 179.25 179.97 2q91 h PHE 55 N 0.54 0.56 -0.16 0.00 -1.00 -1.10 -0.32 116.94 115.46 2q91 h PHE 55 Ca 0.14 -0.11 -0.17 0.00 2.81 0.00 0.00 57.97 60.64 2q91 h PHE 55 Cb 0.23 -0.14 -0.00 0.00 3.61 0.00 0.00 35.95 39.64 2q91 h PHE 55 CO 0.01 0.68 -0.60 0.37 -1.61 0.00 0.00 178.31 177.15 2q91 h GLN 56 N 0.46 0.53 -0.50 1.51 5.75 -1.01 -0.28 115.11 121.57 2q91 h GLN 56 Ca 0.07 -0.36 -0.02 0.00 -0.15 0.00 0.00 58.65 58.20 2q91 h GLN 56 Cb 0.61 0.05 -0.02 0.00 1.07 0.00 0.00 27.48 29.18 2q91 h GLN 56 CO 0.04 0.97 0.25 -0.22 -2.65 0.00 0.00 178.83 177.22 2q91 h LYS 57 N 0.40 0.71 -0.34 1.69 1.63 -1.01 -0.35 116.57 119.28 2q91 h LYS 57 Ca -0.00 -0.10 -0.02 0.00 -0.85 0.00 0.00 60.65 59.68 2q91 h LYS 57 Cb 1.16 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 32.64 2q91 h LYS 57 CO 0.11 0.58 0.12 1.25 -3.45 0.00 0.00 179.45 178.06 2q91 h LEU 58 N 0.66 0.49 -0.47 5.20 5.85 -0.93 -0.27 115.31 125.84 2q91 h LEU 58 Ca 0.17 -0.19 0.03 0.00 0.84 0.00 0.00 57.88 58.73 2q91 h LEU 58 Cb 0.10 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 2q91 h LEU 58 CO -0.02 0.54 0.27 -0.03 -0.34 0.00 0.00 178.44 178.86 2q91 h MET 59 N 0.41 0.52 -0.95 1.25 4.05 -0.87 -0.44 114.93 118.88 2q91 h MET 59 Ca 0.11 -0.03 0.01 0.00 -0.28 0.00 0.00 59.70 59.51 2q91 h MET 59 Cb 0.22 -0.12 -0.05 0.00 -0.80 0.00 0.00 31.60 30.86 2q91 h MET 59 CO -0.01 0.34 0.62 0.77 0.23 0.00 0.00 176.91 178.87 2q91 h SER 60 N 0.53 1.10 -0.09 1.39 0.02 -0.81 0.33 113.55 116.02 2q91 h SER 60 Ca 0.19 -0.04 -0.11 0.00 -0.84 0.00 0.00 61.79 60.99 2q91 h SER 60 Cb 0.04 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.29 2q91 h SER 60 CO -0.10 0.81 -0.30 0.78 -1.14 0.00 0.00 176.83 176.87 2q91 h ASN 61 N 1.30 0.58 0.54 3.07 2.35 -0.35 -3.29 115.58 119.78 2q91 h ASN 61 Ca 0.35 -0.22 -0.29 0.00 -0.55 0.00 0.00 56.30 55.59 2q91 h ASN 61 Cb -0.13 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.04 2q91 h ASN 61 CO -0.07 0.86 -1.56 -0.07 -1.65 0.00 0.00 177.43 174.93 2q91 h LEU 62 N 0.49 0.13 -6.42 1.61 3.38 -0.83 -3.42 115.31 110.24 2q91 h LEU 62 Ca 0.06 -0.21 -0.72 0.00 0.09 0.00 0.00 57.88 57.10 2q91 h LEU 62 Cb 0.77 -0.04 -0.08 0.00 0.09 0.00 0.00 40.66 41.40 2q91 h LEU 62 CO 0.06 1.18 2.67 -0.67 0.09 0.00 0.00 178.44 181.78 2q91 n ASP 63 N -3.23 4.36 0.11 -0.43 2.03 0.08 -4.79 116.55 114.68 2q91 n ASP 63 Ca -0.15 -2.92 0.02 0.00 0.52 0.00 0.00 54.79 52.26 2q91 n ASP 63 Cb 1.03 -1.62 0.36 0.00 -0.72 0.00 0.00 41.12 40.17 2q91 n ASP 63 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 2q91 h SER 64 N 6.19 0.25 -0.15 1.67 4.64 -1.82 -1.86 113.55 122.47 2q91 h SER 64 Ca 0.50 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.77 2q91 h SER 64 Cb 0.68 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 2q91 h SER 64 CO 1.74 0.43 0.00 -0.46 -0.87 0.00 0.00 176.83 177.67 2q91 n ASN 65 N -4.25 1.35 -3.03 4.97 6.94 -1.26 -4.95 115.26 115.04 2q91 n ASN 65 Ca -0.01 -1.68 -0.23 0.00 -0.02 0.00 0.00 54.58 52.64 2q91 n ASN 65 Cb 0.29 -0.09 0.03 0.00 -2.36 0.00 0.00 39.78 37.65 2q91 n ASN 65 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 2q91 n ARG 66 N 0.12 -4.86 -0.44 -3.83 1.74 -0.70 -4.89 116.66 103.81 2q91 n ARG 66 Ca 0.15 0.90 0.10 0.00 -0.77 0.00 0.00 57.85 58.24 2q91 n ARG 66 Cb 0.27 -5.77 0.32 0.00 -1.02 0.00 0.00 32.46 26.26 2q91 n ARG 66 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2q91 n ASP 67 N -2.52 4.14 0.00 0.55 5.68 -1.26 -4.95 116.55 118.18 2q91 n ASP 67 Ca -0.11 -2.19 0.00 0.00 -0.50 0.00 0.00 54.79 51.99 2q91 n ASP 67 Cb 0.62 -0.50 0.00 0.00 -1.14 0.00 0.00 41.12 40.11 2q91 n ASP 67 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 2q91 n ASN 68 N 1.28 -3.83 -4.10 -1.12 3.02 -1.26 -4.99 115.26 104.26 2q91 n ASN 68 Ca 0.24 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.69 2q91 n ASN 68 Cb 0.70 -1.39 -0.09 0.00 -0.61 0.00 0.00 39.78 38.39 2q91 n ASN 68 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2q91 s GLU 69 N -0.60 0.97 -0.26 3.52 2.02 -1.26 -4.58 118.70 118.51 2q91 s GLU 69 Ca 0.00 -1.37 -0.06 0.00 0.02 0.00 0.00 54.97 53.56 2q91 s GLU 69 Cb 0.00 0.27 -0.01 0.00 0.10 0.00 0.00 34.13 34.50 2q91 s GLU 69 CO 0.00 -0.29 0.05 0.08 0.02 0.00 0.00 175.26 175.12 2q91 s VAL 70 N -4.02 3.95 0.65 2.63 1.01 0.21 -4.71 120.40 120.11 2q91 s VAL 70 Ca 0.22 -0.48 -0.02 0.00 0.00 0.00 0.00 61.98 61.71 2q91 s VAL 70 Cb 0.06 -2.92 0.13 0.00 0.00 0.00 0.00 36.38 33.65 2q91 s VAL 70 CO 0.01 0.24 0.89 -0.90 0.00 0.00 0.00 175.10 175.34 2q91 n ASP 71 N 4.87 1.06 -0.23 3.32 5.68 -1.26 -0.29 116.55 129.70 2q91 n ASP 71 Ca -0.16 -1.93 -0.07 0.00 -0.50 0.00 0.00 54.79 52.14 2q91 n ASP 71 Cb 0.50 -0.59 0.04 0.00 -1.14 0.00 0.00 41.12 39.93 2q91 n ASP 71 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 2q91 h PHE 72 N -0.68 0.94 -0.50 2.11 3.57 -2.00 -0.40 116.94 119.97 2q91 h PHE 72 Ca -0.29 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.15 2q91 h PHE 72 Cb 1.05 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 39.48 2q91 h PHE 72 CO 0.00 0.71 0.29 0.37 -2.23 0.00 0.00 178.31 177.45 2q91 h GLN 73 N 0.89 0.70 -0.41 1.11 4.15 -1.95 -0.14 115.11 119.47 2q91 h GLN 73 Ca 0.22 -0.08 -0.05 0.00 0.77 0.00 0.00 58.65 59.52 2q91 h GLN 73 Cb 0.13 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.66 2q91 h GLN 73 CO -0.03 0.53 0.05 0.93 -1.93 0.00 0.00 178.83 178.39 2q91 h GLU 74 N 0.67 0.63 -0.57 1.69 5.08 -1.79 -1.84 114.58 118.45 2q91 h GLU 74 Ca 0.18 -0.13 -0.07 0.00 -1.00 0.00 0.00 59.36 58.34 2q91 h GLU 74 Cb 0.03 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 2q91 h GLU 74 CO -0.03 0.61 0.09 -0.92 -1.00 0.00 0.00 179.01 177.76 2q91 h TYR 75 N 0.60 1.00 -0.42 4.33 3.20 -0.72 -1.66 116.97 123.30 2q91 h TYR 75 Ca 0.13 -0.14 -0.10 0.00 3.14 0.00 0.00 58.73 61.76 2q91 h TYR 75 Cb 0.30 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.28 2q91 h TYR 75 CO 0.01 0.88 -0.14 0.00 -1.64 0.00 0.00 178.16 177.27 2q91 h VAL 77 N 0.69 1.13 0.28 0.00 2.07 -1.21 -0.45 116.25 118.76 2q91 h VAL 77 Ca 0.11 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 2q91 h VAL 77 Cb 0.62 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 2q91 h VAL 77 CO 0.04 0.17 -0.13 0.15 0.02 0.00 0.00 177.57 177.82 2q91 h PHE 78 N 0.93 -0.35 -0.74 1.57 3.57 -0.86 -1.04 116.94 120.02 2q91 h PHE 78 Ca 0.29 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.80 2q91 h PHE 78 Cb -0.02 0.12 -0.04 0.00 2.79 0.00 0.00 35.95 38.80 2q91 h PHE 78 CO -0.03 -0.21 0.49 -0.07 -2.23 0.00 0.00 178.31 176.26 2q91 h LEU 79 N -0.39 0.81 -0.82 0.59 3.38 -0.88 -1.13 115.31 116.88 2q91 h LEU 79 Ca -0.04 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 2q91 h LEU 79 Cb 0.30 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 2q91 h LEU 79 CO 0.06 0.57 0.38 0.28 0.09 0.00 0.00 178.44 179.83 2q91 h SER 80 N 0.95 1.09 -0.51 -0.43 0.02 -0.80 0.13 113.55 114.00 2q91 h SER 80 Ca 0.28 -0.14 -0.00 0.00 -0.84 0.00 0.00 61.79 61.09 2q91 h SER 80 Cb -0.03 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.20 2q91 h SER 80 CO -0.07 0.92 0.32 0.00 -1.14 0.00 0.00 176.83 176.86 2q91 h ILE 82 N 0.68 1.18 -1.00 0.00 2.04 -0.79 -1.57 117.51 118.06 2q91 h ILE 82 Ca 0.18 -0.55 0.04 0.00 1.00 0.00 0.00 64.86 65.53 2q91 h ILE 82 Cb -0.03 0.87 -0.06 0.00 -0.74 0.00 0.00 36.82 36.86 2q91 h ILE 82 CO -0.04 0.20 0.65 0.00 0.00 0.00 0.00 178.15 178.96 2q91 h ALA 83 N 1.00 1.32 -0.63 1.87 0.00 -0.46 -0.13 119.26 122.22 2q91 h ALA 83 Ca 0.12 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2q91 h ALA 83 Cb 0.17 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 2q91 h ALA 83 CO -0.01 0.55 0.22 0.52 0.00 0.00 0.00 179.25 180.53 2q91 h MET 84 N 1.26 0.94 -0.15 0.00 2.86 -0.65 0.27 114.93 119.47 2q91 h MET 84 Ca 0.40 -0.17 -0.06 0.00 -2.06 0.00 0.00 59.70 57.81 2q91 h MET 84 Cb -0.00 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 31.50 2q91 h MET 84 CO -0.12 0.79 -0.14 0.52 1.06 0.00 0.00 176.91 179.01 2q91 h MET 85 N 0.92 0.37 -0.96 1.72 2.07 -0.25 -2.82 114.93 115.98 2q91 h MET 85 Ca 0.21 -0.19 0.14 0.00 -2.07 0.00 0.00 59.70 57.79 2q91 h MET 85 Cb 0.22 0.00 -0.09 0.00 -1.87 0.00 0.00 31.60 29.87 2q91 h MET 85 CO -0.01 0.74 0.57 0.00 1.07 0.00 0.00 176.91 179.28 2q91 h ASN 87 N 0.84 0.58 0.10 0.00 -1.24 -0.78 -0.69 115.58 114.38 2q91 h ASN 87 Ca 0.51 -0.03 -0.00 0.00 0.71 0.00 0.00 56.30 57.48 2q91 h ASN 87 Cb 0.63 -0.15 -0.00 0.00 0.73 0.00 0.00 38.32 39.53 2q91 h ASN 87 CO -0.32 0.46 -0.02 -0.33 -1.29 0.00 0.00 177.43 175.93 2q91 h GLU 88 N 0.67 0.00 -0.33 6.67 4.39 -1.17 -2.72 114.58 122.09 2q91 h GLU 88 Ca 0.17 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.87 2q91 h GLU 88 Cb -0.01 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 2q91 h GLU 88 CO -0.03 0.02 0.00 1.19 -1.16 0.00 0.00 179.01 179.03 2q91 n PHE 89 N -3.54 1.14 -0.36 4.33 3.72 -0.28 -4.21 117.46 118.26 2q91 n PHE 89 Ca -0.03 -0.82 0.05 0.00 -0.05 0.00 0.00 57.45 56.60 2q91 n PHE 89 Cb 0.11 -0.33 0.21 0.00 -0.94 0.00 0.00 39.48 38.52 2q91 n PHE 89 CO 0.00 0.00 0.00 0.35 -0.05 0.00 0.00 176.76 177.06 2q91 h PHE 90 N 2.29 1.17 0.00 1.38 3.57 -1.32 0.38 116.94 124.41 2q91 h PHE 90 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 2q91 h PHE 90 Cb 1.50 -0.38 0.00 0.00 2.79 0.00 0.00 35.95 39.86 2q91 h PHE 90 CO 0.60 0.55 0.00 0.39 -2.23 0.00 0.00 178.31 177.62 2q91 n GLU 91 N -4.55 0.32 -0.48 1.11 -0.58 -1.26 -4.88 120.64 110.32 2q91 n GLU 91 Ca 0.17 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.91 2q91 n GLU 91 Cb 0.26 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.63 2q91 n GLU 91 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2q91 n GLY 92 N 1.30 0.75 3.33 0.62 0.00 0.12 -5.01 105.19 106.30 2q91 n GLY 92 Ca 0.12 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.03 2q91 n GLY 92 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2q91 s PHE 93 N -2.65 -0.26 -0.99 1.61 -0.12 -1.26 -5.09 117.98 109.21 2q91 s PHE 93 Ca 0.00 0.07 -0.24 0.00 -0.05 0.00 0.00 56.93 56.71 2q91 s PHE 93 Cb 0.00 0.27 -0.07 0.00 -0.63 0.00 0.00 43.02 42.59 2q91 s PHE 93 CO 0.00 -0.66 1.97 -2.14 -0.05 0.00 0.00 175.22 174.34 2q91 s PRO 94 N -3.26 2.44 -0.60 1.99 0.02 -1.26 -4.64 135.00 129.69 2q91 s PRO 94 Ca -0.01 -0.54 -0.27 0.00 0.02 0.00 0.00 61.00 60.20 2q91 s PRO 94 Cb 0.01 -5.11 0.03 0.00 0.02 0.00 0.00 34.50 29.45 2q91 s PRO 94 CO -0.08 -3.70 1.16 0.34 -0.33 0.00 0.00 177.00 174.39 2q91 s ASP 95 N 7.69 6.38 0.00 2.53 3.68 -1.26 -3.22 116.67 132.46 2q91 s ASP 95 Ca 0.71 -0.08 0.00 0.00 2.13 0.00 0.00 52.55 55.31 2q91 s ASP 95 Cb -0.05 -2.53 0.00 0.00 -1.45 0.00 0.00 42.92 38.89 2q91 s ASP 95 CO 0.05 -1.50 0.00 1.17 0.13 0.00 0.00 175.17 175.02 2q91 n LYS 96 N 8.43 0.00 0.00 4.34 4.81 -1.26 -5.07 118.16 129.40 2q91 n LYS 96 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.50 2q91 n LYS 96 Cb 0.49 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.54 2q91 n LYS 96 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61