#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2q n GLY 2 N 0.00 -0.23 0.76 -5.12 0.00 -1.26 -4.48 105.19 94.86 2k2q n GLY 2 Ca 0.00 0.07 0.09 0.00 0.00 0.00 0.00 46.02 46.18 2k2q n GLY 2 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2k2q n VAL 3 N -2.80 0.20 -1.49 1.61 0.24 -1.26 -4.80 118.33 110.03 2k2q n VAL 3 Ca -0.12 -0.60 -0.33 0.00 -2.04 0.00 0.00 64.34 61.25 2k2q n VAL 3 Cb 0.59 1.19 0.08 0.00 -1.47 0.00 0.00 33.84 34.24 2k2q n VAL 3 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2k2q s THR 4 N -1.37 2.76 -0.42 3.34 2.01 -1.26 -4.80 115.64 115.90 2k2q s THR 4 Ca 0.24 0.34 -0.40 0.00 0.31 0.00 0.00 61.69 62.18 2k2q s THR 4 Cb 0.15 -2.83 -0.16 0.00 0.01 0.00 0.00 72.50 69.67 2k2q s THR 4 CO 0.22 -0.23 2.10 -0.62 -0.69 0.00 0.00 174.62 175.41 2k2q n GLU 5 N -2.80 0.53 -2.37 4.92 4.71 -1.25 -4.79 120.64 119.59 2k2q n GLU 5 Ca 0.12 0.15 -0.42 0.00 -0.01 0.00 0.00 57.16 57.00 2k2q n GLU 5 Cb 0.51 -1.94 -0.03 0.00 -1.01 0.00 0.00 31.44 28.97 2k2q n GLU 5 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2k2q s ALA 6 N 6.21 3.43 -1.63 0.62 0.00 -0.21 -4.90 121.76 125.28 2k2q s ALA 6 Ca 1.13 0.92 0.31 0.00 0.00 0.00 0.00 51.96 54.32 2k2q s ALA 6 Cb -1.20 -3.44 1.64 0.00 0.00 0.00 0.00 23.12 20.12 2k2q s ALA 6 CO 0.60 -0.43 2.11 1.04 0.00 0.00 0.00 175.76 179.08 2k2q n GLN 7 N 3.33 0.63 -3.91 0.00 1.13 -1.26 -4.23 117.38 113.07 2k2q n GLN 7 Ca 0.07 -0.01 -0.29 0.00 -1.94 0.00 0.00 57.00 54.83 2k2q n GLN 7 Cb 0.45 -1.50 -0.13 0.00 0.11 0.00 0.00 30.24 29.17 2k2q n GLN 7 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 2k2q s TYR 8 N -2.38 3.27 -0.43 1.08 5.04 -1.26 -4.85 117.35 117.82 2k2q s TYR 8 Ca 0.35 -3.21 0.18 0.00 -2.44 0.00 0.00 57.07 51.95 2k2q s TYR 8 Cb 0.21 -2.69 -0.24 0.00 0.35 0.00 0.00 41.96 39.59 2k2q s TYR 8 CO 0.43 -0.65 0.58 1.55 -1.34 0.00 0.00 175.55 176.12 2k2q n VAL 9 N 2.59 0.00 -2.25 3.14 3.14 -1.26 -3.29 118.33 120.39 2k2q n VAL 9 Ca 0.12 -0.25 -0.43 0.00 -2.96 0.00 0.00 64.34 60.83 2k2q n VAL 9 Cb 0.34 0.54 -0.02 0.00 -1.06 0.00 0.00 33.84 33.64 2k2q n VAL 9 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2k2q s ALA 10 N -2.97 3.63 1.00 1.55 0.00 -1.26 -4.76 121.76 118.95 2k2q s ALA 10 Ca 0.00 0.64 0.00 0.00 0.00 0.00 0.00 51.96 52.60 2k2q s ALA 10 Cb 0.13 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.57 2k2q s ALA 10 CO 0.75 -1.30 0.00 -0.35 0.00 0.00 0.00 175.76 174.86 2k2q n PRO 11 N 6.86 0.77 -0.12 0.00 -0.04 -1.26 -4.86 135.00 136.35 2k2q n PRO 11 Ca 0.15 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.47 2k2q n PRO 11 Cb 0.44 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.77 2k2q n PRO 11 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2k2q n THR 12 N -0.46 1.43 -3.18 0.52 -2.24 -1.26 -5.05 114.28 104.04 2k2q n THR 12 Ca 0.00 -0.67 0.00 0.00 -2.27 0.00 0.00 64.05 61.11 2k2q n THR 12 Cb 0.00 -1.05 0.00 0.00 -2.10 0.00 0.00 70.33 67.18 2k2q n THR 12 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2k2q n ASN 13 N -3.05 0.61 -0.18 3.42 2.85 -1.26 -5.05 115.26 112.60 2k2q n ASN 13 Ca -0.40 -0.18 0.11 0.00 -0.11 0.00 0.00 54.58 53.99 2k2q n ASN 13 Cb 1.05 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 42.02 2k2q n ASN 13 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2k2q n ALA 14 N -3.00 4.26 -0.08 5.20 0.00 -1.26 -4.33 120.51 121.30 2k2q n ALA 14 Ca 0.00 -0.60 -0.11 0.00 0.00 0.00 0.00 53.44 52.73 2k2q n ALA 14 Cb 0.00 -0.80 -0.05 0.00 0.00 0.00 0.00 19.45 18.60 2k2q n ALA 14 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2k2q h VAL 15 N 0.87 1.27 0.00 0.00 2.07 -1.98 -2.74 116.25 115.73 2k2q h VAL 15 Ca 0.00 -0.95 -0.03 0.00 0.82 0.00 0.00 66.70 66.54 2k2q h VAL 15 Cb 0.59 1.42 -0.00 0.00 -1.52 0.00 0.00 31.29 31.78 2k2q h VAL 15 CO 0.00 0.29 -0.16 -0.33 0.02 0.00 0.00 177.57 177.40 2k2q h GLU 16 N 0.18 0.00 -0.15 1.57 3.07 -1.98 -1.65 114.58 115.62 2k2q h GLU 16 Ca 0.06 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.85 2k2q h GLU 16 Cb 0.44 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.34 2k2q h GLU 16 CO 0.02 0.16 -0.22 0.77 -1.40 0.00 0.00 179.01 178.33 2k2q h SER 17 N 0.00 0.26 0.23 1.42 0.02 -1.69 0.28 113.55 114.06 2k2q h SER 17 Ca -0.00 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 2k2q h SER 17 Cb 0.31 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.79 2k2q h SER 17 CO 0.02 0.49 -0.14 0.29 -1.14 0.00 0.00 176.83 176.35 2k2q n LYS 18 N -4.18 0.94 -0.13 3.45 4.76 -0.66 -3.55 118.16 118.79 2k2q n LYS 18 Ca -0.01 -0.46 -0.25 0.00 -2.87 0.00 0.00 58.31 54.72 2k2q n LYS 18 Cb 0.34 -1.49 -0.11 0.00 -1.84 0.00 0.00 35.03 31.94 2k2q n LYS 18 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 2k2q n LEU 19 N -0.63 2.31 0.27 -0.35 0.00 -0.48 -4.40 117.00 113.72 2k2q n LEU 19 Ca 0.15 0.18 0.10 0.00 0.00 0.00 0.00 56.01 56.44 2k2q n LEU 19 Cb 0.31 -0.86 0.72 0.00 0.00 0.00 0.00 43.42 43.58 2k2q n LEU 19 CO 0.23 0.69 1.08 0.00 0.00 0.00 0.00 177.39 179.39 2k2q h ALA 20 N -0.62 1.84 -0.79 1.96 0.00 -0.62 -1.71 119.26 119.32 2k2q h ALA 20 Ca -0.64 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.29 2k2q h ALA 20 Cb 1.71 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.45 2k2q h ALA 20 CO -0.29 0.01 0.52 0.93 0.00 0.00 0.00 179.25 180.42 2k2q h GLU 21 N 0.00 0.95 -0.01 0.00 4.39 -1.76 0.36 114.58 118.51 2k2q h GLU 21 Ca -0.00 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.64 2k2q h GLU 21 Cb 0.02 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 28.45 2k2q h GLU 21 CO 0.00 0.63 -0.06 -0.89 -1.16 0.00 0.00 179.01 177.53 2k2q n ILE 22 N -4.45 0.00 0.06 3.13 5.41 -0.65 -3.63 119.36 119.23 2k2q n ILE 22 Ca 0.10 -0.12 0.00 0.00 1.00 0.00 0.00 62.75 63.73 2k2q n ILE 22 Cb 0.11 0.07 0.00 0.00 -0.71 0.00 0.00 39.64 39.10 2k2q n ILE 22 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 176.55 177.34 2k2q n TRP 23 N -0.54 -0.36 -0.23 1.39 5.03 -0.52 -4.58 117.44 117.62 2k2q n TRP 23 Ca 0.18 0.06 -0.04 0.00 3.03 0.00 0.00 57.50 60.73 2k2q n TRP 23 Cb 0.27 0.09 0.12 0.00 -1.03 0.00 0.00 31.31 30.77 2k2q n TRP 23 CO 0.00 0.00 0.00 1.49 -0.03 0.00 0.00 177.69 179.15 2k2q h GLU 24 N 0.00 1.06 -0.27 -0.99 4.57 -0.57 0.43 114.58 118.82 2k2q h GLU 24 Ca 0.00 -0.19 0.00 0.00 -1.18 0.00 0.00 59.36 57.99 2k2q h GLU 24 Cb 0.00 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 28.42 2k2q h GLU 24 CO 0.00 0.88 0.00 -2.13 -1.18 0.00 0.00 179.01 176.58 2k2q n ARG 25 N -4.28 1.60 0.10 1.92 3.00 -1.21 0.56 116.66 118.33 2k2q n ARG 25 Ca 0.06 -0.90 0.00 0.00 -0.00 0.00 0.00 57.85 57.02 2k2q n ARG 25 Cb 0.19 -1.21 0.00 0.00 0.00 0.00 0.00 32.46 31.44 2k2q n ARG 25 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 2k2q n VAL 26 N 0.22 0.62 -0.05 5.15 0.31 -0.73 -4.94 118.33 118.92 2k2q n VAL 26 Ca 0.08 0.20 -0.03 0.00 -0.01 0.00 0.00 64.34 64.59 2k2q n VAL 26 Cb 0.22 -1.05 -0.10 0.00 -0.91 0.00 0.00 33.84 32.00 2k2q n VAL 26 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2k2q n LEU 27 N -3.49 0.00 0.00 7.52 4.32 0.12 -4.79 117.00 120.67 2k2q n LEU 27 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 2k2q n LEU 27 Cb 0.00 0.22 0.00 0.00 -1.62 0.00 0.00 43.42 42.02 2k2q n LEU 27 CO 0.00 0.22 0.22 0.61 -1.22 0.00 0.00 177.39 177.23 2k2q n GLY 28 N 2.10 -1.40 3.67 -0.72 0.00 0.73 -4.94 105.19 104.63 2k2q n GLY 28 Ca -0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.58 2k2q n GLY 28 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2k2q n VAL 29 N -1.20 -5.75 0.00 1.61 0.31 0.19 -4.84 118.33 108.65 2k2q n VAL 29 Ca 0.00 -0.91 0.00 0.00 -0.01 0.00 0.00 64.34 63.42 2k2q n VAL 29 Cb 0.00 -4.32 0.00 0.00 -0.91 0.00 0.00 33.84 28.61 2k2q n VAL 29 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2k2q n SER 30 N -2.80 0.00 -0.36 4.52 7.64 -1.26 -5.05 113.62 116.31 2k2q n SER 30 Ca -0.13 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.75 2k2q n SER 30 Cb 0.61 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.81 2k2q n SER 30 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2k2q n GLY 31 N -0.03 0.66 3.84 0.23 0.00 -1.26 -3.89 105.19 104.73 2k2q n GLY 31 Ca 0.00 -0.24 -0.23 0.00 0.00 0.00 0.00 46.02 45.55 2k2q n GLY 31 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2k2q s ILE 32 N -2.09 4.58 0.00 -0.61 -5.25 -1.26 -1.04 121.20 115.53 2k2q s ILE 32 Ca 0.00 -1.28 0.00 0.00 -0.99 0.00 0.00 60.65 58.38 2k2q s ILE 32 Cb 0.00 -3.45 0.00 0.00 2.95 0.00 0.00 42.46 41.96 2k2q s ILE 32 CO 0.00 -0.30 0.00 0.61 -1.79 0.00 0.00 174.94 173.46 2k2q n GLY 33 N -1.05 4.18 3.32 6.27 0.00 -1.26 -4.94 105.19 111.70 2k2q n GLY 33 Ca -0.08 -0.41 -0.44 0.00 0.00 0.00 0.00 46.02 45.10 2k2q n GLY 33 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2k2q n ILE 34 N 0.00 4.34 -1.66 -0.61 2.08 -1.21 -4.40 119.36 117.90 2k2q n ILE 34 Ca 0.00 -4.77 0.00 0.00 0.56 0.00 0.00 62.75 58.54 2k2q n ILE 34 Cb 0.00 -2.44 0.00 0.00 -0.75 0.00 0.00 39.64 36.45 2k2q n ILE 34 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 2k2q n LEU 35 N 4.88 0.00 -1.32 1.39 4.77 -1.26 -4.93 117.00 120.52 2k2q n LEU 35 Ca 0.36 -0.59 0.00 0.00 -0.03 0.00 0.00 56.01 55.74 2k2q n LEU 35 Cb 0.41 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 2k2q n LEU 35 CO 0.65 0.30 -0.27 -0.67 -1.33 0.00 0.00 177.39 176.07 2k2q n ASP 36 N 0.00 -6.06 -1.06 -1.43 2.03 -1.26 -5.12 116.55 103.65 2k2q n ASP 36 Ca 0.00 0.79 -0.00 0.00 0.52 0.00 0.00 54.79 56.09 2k2q n ASP 36 Cb 0.58 -3.14 0.00 0.00 -0.72 0.00 0.00 41.12 37.84 2k2q n ASP 36 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 2k2q n ASN 37 N 0.87 -0.08 0.17 1.67 6.94 -1.26 -4.96 115.26 118.61 2k2q n ASN 37 Ca 0.00 -1.05 0.13 0.00 -0.02 0.00 0.00 54.58 53.63 2k2q n ASN 37 Cb 0.00 0.13 0.67 0.00 -2.36 0.00 0.00 39.78 38.21 2k2q n ASN 37 CO 0.00 0.00 0.00 2.19 -1.03 0.00 0.00 177.26 178.42 2k2q h PHE 38 N 1.03 0.00 0.09 -2.53 -0.00 -1.89 -2.35 116.94 111.30 2k2q h PHE 38 Ca -0.01 0.00 -0.32 0.00 -0.00 0.00 0.00 57.97 57.64 2k2q h PHE 38 Cb 0.04 0.00 -0.02 0.00 -0.00 0.00 0.00 35.95 35.97 2k2q h PHE 38 CO 0.00 0.00 -1.73 0.35 -0.00 0.00 0.00 178.31 176.93 2k2q h PHE 39 N 0.00 0.34 0.00 6.09 3.57 -1.96 -3.25 116.94 121.74 2k2q h PHE 39 Ca 0.09 -0.25 0.00 0.00 3.53 0.00 0.00 57.97 61.34 2k2q h PHE 39 Cb 0.37 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.10 2k2q h PHE 39 CO 0.00 1.42 0.00 0.37 -2.23 0.00 0.00 178.31 177.87 2k2q h GLN 40 N 0.05 0.00 -0.15 1.11 4.15 -1.82 -1.36 115.11 117.10 2k2q h GLN 40 Ca -0.31 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.11 2k2q h GLN 40 Cb 2.02 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.71 2k2q h GLN 40 CO 0.12 0.00 0.00 1.51 -1.93 0.00 0.00 178.83 178.53 2k2q n ILE 41 N -2.72 0.21 -2.73 2.39 0.13 -0.94 -4.62 119.36 111.07 2k2q n ILE 41 Ca 0.00 -0.60 -0.09 0.00 -1.10 0.00 0.00 62.75 60.96 2k2q n ILE 41 Cb 0.21 1.22 0.10 0.00 -0.84 0.00 0.00 39.64 40.33 2k2q n ILE 41 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 2k2q n GLY 42 N 1.15 1.00 2.95 4.50 0.00 -0.60 -5.04 105.19 109.15 2k2q n GLY 42 Ca 0.13 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 2k2q n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k2q n GLY 43 N -0.01 3.96 0.10 -0.02 0.00 -0.69 -4.58 105.19 103.96 2k2q n GLY 43 Ca 0.03 -1.57 -0.00 0.00 0.00 0.00 0.00 46.02 44.48 2k2q n GLY 43 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2k2q h HIS 44 N 6.40 0.00 -1.99 1.61 2.76 -1.95 -3.44 115.15 118.54 2k2q h HIS 44 Ca 0.53 0.00 0.23 0.00 -2.20 0.00 0.00 60.37 58.93 2k2q h HIS 44 Cb 0.70 0.00 -0.08 0.00 1.55 0.00 0.00 27.41 29.58 2k2q h HIS 44 CO 1.45 0.61 -0.46 0.43 -1.30 0.00 0.00 177.93 178.66 2k2q n SER 45 N -3.03 -5.18 0.00 3.26 7.64 -1.26 -4.65 113.62 110.39 2k2q n SER 45 Ca -0.06 0.52 0.00 0.00 1.01 0.00 0.00 58.87 60.34 2k2q n SER 45 Cb 0.83 -2.74 0.00 0.00 -1.01 0.00 0.00 64.21 61.29 2k2q n SER 45 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k2q n LEU 46 N -3.35 0.00 0.00 -3.43 -0.00 -1.26 -4.86 117.00 104.09 2k2q n LEU 46 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.00 2k2q n LEU 46 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.82 2k2q n LEU 46 CO 0.01 0.04 0.00 0.29 -0.00 0.00 0.00 177.39 177.73 2k2q n LYS 47 N 0.00 3.61 -0.28 1.47 4.76 -1.26 -4.91 118.16 121.54 2k2q n LYS 47 Ca 0.00 0.00 0.27 0.00 -2.87 0.00 0.00 58.31 55.71 2k2q n LYS 47 Cb 0.11 0.00 0.62 0.00 -1.84 0.00 0.00 35.03 33.92 2k2q n LYS 47 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2k2q h ALA 48 N 1.00 2.61 -0.50 7.82 0.00 -2.00 0.24 119.26 128.42 2k2q h ALA 48 Ca 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2k2q h ALA 48 Cb 0.00 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2k2q h ALA 48 CO 0.00 -0.95 0.21 1.98 0.00 0.00 0.00 179.25 180.49 2k2q h MET 49 N 0.20 0.72 -0.32 0.00 -1.53 -1.99 -1.34 114.93 110.67 2k2q h MET 49 Ca 0.54 -0.10 -0.17 0.00 -3.44 0.00 0.00 59.70 56.53 2k2q h MET 49 Cb 1.72 -0.13 -0.00 0.00 -0.55 0.00 0.00 31.60 32.63 2k2q h MET 49 CO -0.14 0.58 -0.47 0.00 0.14 0.00 0.00 176.91 177.02 2k2q h ALA 50 N 1.52 0.49 -0.57 0.39 0.00 -0.80 -3.07 119.26 117.21 2k2q h ALA 50 Ca 0.17 -0.49 0.03 0.00 0.00 0.00 0.00 54.91 54.63 2k2q h ALA 50 Cb 0.13 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 2k2q h ALA 50 CO -0.02 0.65 0.33 0.28 0.00 0.00 0.00 179.25 180.50 2k2q h VAL 51 N 0.68 1.03 -0.68 0.00 2.07 -1.08 0.31 116.25 118.59 2k2q h VAL 51 Ca 0.03 -0.22 0.07 0.00 0.82 0.00 0.00 66.70 67.40 2k2q h VAL 51 Cb 1.08 0.32 -0.06 0.00 -1.52 0.00 0.00 31.29 31.11 2k2q h VAL 51 CO 0.11 0.12 0.37 0.00 0.02 0.00 0.00 177.57 178.19 2k2q h ALA 52 N 1.27 0.92 0.01 1.67 0.00 -1.19 0.19 119.26 122.14 2k2q h ALA 52 Ca 0.24 0.03 -0.24 0.00 0.00 0.00 0.00 54.91 54.93 2k2q h ALA 52 Cb 0.06 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 17.78 2k2q h ALA 52 CO -0.12 0.02 -0.96 0.00 0.00 0.00 0.00 179.25 178.19 2k2q h ALA 53 N 1.37 0.10 -0.61 0.00 0.00 -1.34 -2.21 119.26 116.57 2k2q h ALA 53 Ca 0.32 -0.68 -0.05 0.00 0.00 0.00 0.00 54.91 54.50 2k2q h ALA 53 Cb 0.24 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 2k2q h ALA 53 CO -0.21 0.60 0.19 1.96 0.00 0.00 0.00 179.25 181.79 2k2q h GLN 54 N 0.26 0.92 0.01 0.00 1.08 0.02 -3.15 115.11 114.25 2k2q h GLN 54 Ca -0.12 -0.17 -0.00 0.00 -1.45 0.00 0.00 58.65 56.90 2k2q h GLN 54 Cb 1.63 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 28.92 2k2q h GLN 54 CO 0.19 0.79 -0.01 0.28 -0.95 0.00 0.00 178.83 179.13 2k2q h VAL 55 N 0.89 1.25 0.00 -0.54 2.07 -0.69 0.17 116.25 119.40 2k2q h VAL 55 Ca 0.20 -1.86 0.00 0.00 0.82 0.00 0.00 66.70 65.86 2k2q h VAL 55 Cb 0.25 2.32 0.00 0.00 -1.52 0.00 0.00 31.29 32.35 2k2q h VAL 55 CO -0.01 0.41 0.00 1.41 0.02 0.00 0.00 177.57 179.40 2k2q n HIS 56 N -4.69 0.00 -1.78 1.57 8.25 -0.83 -1.95 115.22 115.79 2k2q n HIS 56 Ca -0.07 -0.79 0.00 0.00 -0.26 0.00 0.00 57.72 56.59 2k2q n HIS 56 Cb 0.33 -0.41 0.00 0.00 1.12 0.00 0.00 29.99 31.03 2k2q n HIS 56 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 2k2q n ARG 57 N 1.22 0.00 -3.52 -0.41 3.00 -1.19 -4.97 116.66 110.79 2k2q n ARG 57 Ca 0.00 -0.04 -0.20 0.00 -0.00 0.00 0.00 57.85 57.62 2k2q n ARG 57 Cb 0.47 -0.11 0.06 0.00 0.00 0.00 0.00 32.46 32.88 2k2q n ARG 57 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2k2q n GLU 58 N 0.00 -4.54 -1.97 -0.14 1.02 -0.82 -4.49 120.64 109.69 2k2q n GLU 58 Ca 0.00 0.73 -0.01 0.00 -0.02 0.00 0.00 57.16 57.86 2k2q n GLU 58 Cb 0.34 -5.43 -0.01 0.00 -0.02 0.00 0.00 31.44 26.31 2k2q n GLU 58 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2k2q n TYR 59 N -4.00 -3.03 0.08 -0.32 4.01 0.60 -4.94 117.16 109.56 2k2q n TYR 59 Ca -0.23 1.79 -0.14 0.00 -0.16 0.00 0.00 57.90 59.17 2k2q n TYR 59 Cb 0.66 -3.15 -0.08 0.00 -0.31 0.00 0.00 39.34 36.46 2k2q n TYR 59 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 2k2q h GLN 60 N 2.69 0.32 0.00 -0.72 4.20 -1.79 -3.47 115.11 116.34 2k2q h GLN 60 Ca -0.12 -0.42 0.00 0.00 0.06 0.00 0.00 58.65 58.18 2k2q h GLN 60 Cb 0.27 0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.18 2k2q h GLN 60 CO 0.00 1.13 0.00 0.28 -0.67 0.00 0.00 178.83 179.57 2k2q n VAL 61 N -3.65 0.00 0.00 -0.54 0.31 -1.26 -4.15 118.33 109.04 2k2q n VAL 61 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 2k2q n VAL 61 Cb 0.91 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.84 2k2q n VAL 61 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2k2q n GLU 62 N 0.00 0.00 -3.89 5.55 -0.58 -1.26 -5.04 120.64 115.42 2k2q n GLU 62 Ca 0.00 0.00 -0.35 0.00 -0.42 0.00 0.00 57.16 56.39 2k2q n GLU 62 Cb 0.00 0.00 -0.05 0.00 -0.57 0.00 0.00 31.44 30.82 2k2q n GLU 62 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2k2q s LEU 63 N -2.10 4.38 -1.60 -4.62 1.43 -1.26 -5.00 118.68 109.91 2k2q s LEU 63 Ca 0.00 0.40 -0.10 0.00 -1.03 0.00 0.00 54.13 53.41 2k2q s LEU 63 Cb 0.00 -2.44 -0.07 0.00 0.03 0.00 0.00 46.19 43.70 2k2q s LEU 63 CO 0.00 0.31 2.92 -0.81 0.23 0.00 0.00 176.35 179.00 2k2q n PRO 64 N 1.29 3.78 -1.64 1.29 -0.04 -1.26 -4.83 135.00 133.58 2k2q n PRO 64 Ca -0.14 -2.31 -0.42 0.00 -0.04 0.00 0.00 63.50 60.60 2k2q n PRO 64 Cb 0.53 -2.79 -0.03 0.00 -0.04 0.00 0.00 33.50 31.18 2k2q n PRO 64 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2k2q s LEU 65 N -0.01 3.43 -0.24 1.53 2.96 -1.26 -3.93 118.68 121.15 2k2q s LEU 65 Ca 0.69 1.66 -0.06 0.00 -0.22 0.00 0.00 54.13 56.20 2k2q s LEU 65 Cb 0.18 -3.32 0.01 0.00 0.50 0.00 0.00 46.19 43.56 2k2q s LEU 65 CO -0.06 -2.11 0.14 1.17 -1.32 0.00 0.00 176.35 174.17 2k2q n LYS 66 N 8.79 -2.22 0.02 1.98 0.00 -1.26 -4.96 118.16 120.50 2k2q n LYS 66 Ca 0.30 1.96 0.00 0.00 0.00 0.00 0.00 58.31 60.58 2k2q n LYS 66 Cb 0.47 -3.77 0.00 0.00 0.00 0.00 0.00 35.03 31.73 2k2q n LYS 66 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.40 178.95 2k2q n VAL 67 N 0.67 0.00 0.00 3.15 3.14 -1.25 -5.06 118.33 118.98 2k2q n VAL 67 Ca 0.01 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.39 2k2q n VAL 67 Cb 0.28 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.06 2k2q n VAL 67 CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26 2k2q n LEU 68 N -2.52 0.00 -1.54 6.55 7.94 -1.26 -4.93 117.00 121.24 2k2q n LEU 68 Ca 0.00 0.00 -0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2k2q n LEU 68 Cb 0.00 0.23 -0.00 0.00 0.53 0.00 0.00 43.42 44.18 2k2q n LEU 68 CO 0.00 -0.39 0.94 0.49 -1.11 0.00 0.00 177.39 177.32 2k2q n PHE 69 N -2.18 0.00 -0.91 1.96 3.72 -1.26 -2.66 117.46 116.12 2k2q n PHE 69 Ca 0.00 -0.94 0.00 0.00 -0.05 0.00 0.00 57.45 56.46 2k2q n PHE 69 Cb 0.00 -0.50 0.00 0.00 -0.94 0.00 0.00 39.48 38.04 2k2q n PHE 69 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2k2q n ALA 70 N 1.55 0.89 -3.73 4.37 0.00 -1.26 -4.80 120.51 117.52 2k2q n ALA 70 Ca 0.01 -0.43 -0.26 0.00 0.00 0.00 0.00 53.44 52.76 2k2q n ALA 70 Cb 0.47 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.75 2k2q n ALA 70 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2k2q s GLN 71 N -0.07 1.59 0.55 0.00 -1.52 -1.09 -4.81 119.66 114.32 2k2q s GLN 71 Ca 0.00 -0.32 0.29 0.00 -1.95 0.00 0.00 55.36 53.38 2k2q s GLN 71 Cb 0.00 -1.51 1.59 0.00 -0.22 0.00 0.00 33.01 32.87 2k2q s GLN 71 CO 0.00 -0.15 2.13 -1.00 -0.25 0.00 0.00 175.29 176.03 2k2q h PRO 72 N 7.67 0.00 -3.45 2.91 0.13 -1.96 -3.32 132.00 133.98 2k2q h PRO 72 Ca -0.31 0.00 -0.71 0.00 -0.87 0.00 0.00 66.00 64.11 2k2q h PRO 72 Cb 1.15 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 31.94 2k2q h PRO 72 CO 0.44 0.08 -0.13 0.95 -0.23 0.00 0.00 178.00 179.11 2k2q s THR 73 N -4.29 4.36 0.42 1.56 -4.23 -1.26 -4.89 115.64 107.31 2k2q s THR 73 Ca -0.03 -3.46 0.09 0.00 -1.18 0.00 0.00 61.69 57.11 2k2q s THR 73 Cb 0.14 -3.74 0.23 0.00 1.34 0.00 0.00 72.50 70.47 2k2q s THR 73 CO 0.57 -1.03 2.03 0.40 -0.54 0.00 0.00 174.62 176.05 2k2q h ILE 74 N 4.46 1.10 0.00 2.99 5.03 -1.91 -1.28 117.51 127.91 2k2q h ILE 74 Ca 0.10 -0.33 -0.02 0.00 -0.12 0.00 0.00 64.86 64.50 2k2q h ILE 74 Cb 0.88 0.81 -0.00 0.00 -3.03 0.00 0.00 36.82 35.47 2k2q h ILE 74 CO 0.81 0.12 -0.08 0.07 -0.68 0.00 0.00 178.15 178.39 2k2q h LYS 75 N 0.35 0.00 0.00 2.37 5.09 -1.94 -0.68 116.57 121.76 2k2q h LYS 75 Ca 0.09 0.00 -0.05 0.00 0.09 0.00 0.00 60.65 60.78 2k2q h LYS 75 Cb 0.08 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.40 2k2q h LYS 75 CO -0.01 0.08 -0.24 0.00 -2.09 0.00 0.00 179.45 177.19 2k2q h ALA 76 N 1.92 1.06 0.19 0.07 0.00 -1.64 -2.22 119.26 118.63 2k2q h ALA 76 Ca -0.00 -0.22 -0.35 0.00 0.00 0.00 0.00 54.91 54.34 2k2q h ALA 76 Cb 0.18 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.94 2k2q h ALA 76 CO 0.01 0.30 -1.75 -0.07 0.00 0.00 0.00 179.25 177.74 2k2q h LEU 77 N 0.00 0.61 -1.72 0.00 3.38 -1.20 -3.34 115.31 113.05 2k2q h LEU 77 Ca -0.00 -0.92 -0.03 0.00 0.09 0.00 0.00 57.88 57.01 2k2q h LEU 77 Cb 0.72 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 2k2q h LEU 77 CO 0.03 1.78 -0.17 0.00 0.09 0.00 0.00 178.44 180.18 2k2q h ALA 78 N 0.13 1.28 -0.00 1.53 0.00 -1.25 0.29 119.26 121.24 2k2q h ALA 78 Ca -0.34 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2k2q h ALA 78 Cb 2.10 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.86 2k2q h ALA 78 CO 0.18 0.21 -0.02 0.00 0.00 0.00 0.00 179.25 179.61 2k2q n GLN 79 N -3.69 1.03 0.00 0.00 10.64 -0.85 -4.17 117.38 120.35 2k2q n GLN 79 Ca -0.02 -0.25 0.00 0.00 -1.83 0.00 0.00 57.00 54.91 2k2q n GLN 79 Cb 0.28 -1.49 0.00 0.00 -0.86 0.00 0.00 30.24 28.17 2k2q n GLN 79 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 2k2q n TYR 80 N -0.77 0.00 -3.56 2.61 4.01 -0.56 -4.97 117.16 113.93 2k2q n TYR 80 Ca 0.20 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.54 2k2q n TYR 80 Cb 0.20 0.04 -0.09 0.00 -0.31 0.00 0.00 39.34 39.19 2k2q n TYR 80 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2k2q s VAL 81 N -1.99 4.20 0.00 -0.72 1.01 0.93 -5.13 120.40 118.71 2k2q s VAL 81 Ca 0.00 -1.74 0.00 0.00 0.00 0.00 0.00 61.98 60.24 2k2q s VAL 81 Cb 0.00 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.63 2k2q s VAL 81 CO 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 175.10 174.36