#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 0.28 0.97 -5.12 0.00 -1.26 -4.80 105.19 95.26 2k2q n GLY 2 Ca 0.00 -0.26 0.11 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.59 0.45 -1.81 1.61 0.24 -1.26 -4.91 118.33 109.06 2k2q n VAL 3 Ca 0.00 -0.63 -0.37 0.00 -2.04 0.00 0.00 64.34 61.29 2k2q n VAL 3 Cb 0.53 0.73 0.05 0.00 -1.47 0.00 0.00 33.84 33.68 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 -1.55 2.16 -0.42 3.34 2.01 -1.26 -4.47 115.64 115.45 2k2q s THR 4 Ca 0.37 0.11 -0.34 0.00 0.31 0.00 0.00 61.69 62.13 2k2q s THR 4 Cb 0.21 -3.05 -0.12 0.00 0.01 0.00 0.00 72.50 69.55 2k2q s THR 4 CO 0.29 -0.01 2.25 -0.62 -0.69 0.00 0.00 174.62 175.84 2k2q n GLU 5 N -1.45 0.94 -2.41 4.92 4.71 -1.24 -4.54 120.64 121.56 2k2q n GLU 5 Ca 0.13 0.23 -0.41 0.00 -0.01 0.00 0.00 57.16 57.09 2k2q n GLU 5 Cb 0.47 -2.43 -0.03 0.00 -1.01 0.00 0.00 31.44 28.43 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 7.85 3.42 -0.72 0.62 0.00 0.90 -4.92 121.76 128.91 2k2q s ALA 6 Ca 1.11 0.91 0.26 0.00 0.00 0.00 0.00 51.96 54.23 2k2q s ALA 6 Cb -0.86 -3.41 0.70 0.00 0.00 0.00 0.00 23.12 19.56 2k2q s ALA 6 CO 0.48 -0.35 1.67 1.04 0.00 0.00 0.00 175.76 178.60 2k2q n GLN 7 N 2.71 0.26 -2.84 0.00 1.13 -1.26 -4.45 117.38 112.93 2k2q n GLN 7 Ca 0.05 0.18 -0.44 0.00 -1.94 0.00 0.00 57.00 54.85 2k2q n GLN 7 Cb 0.45 -1.77 -0.00 0.00 0.11 0.00 0.00 30.24 29.03 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 -3.11 3.28 -0.13 1.08 6.14 -1.26 -4.67 117.35 118.68 2k2q s TYR 8 Ca 0.10 -1.94 0.18 0.00 0.64 0.00 0.00 57.07 56.05 2k2q s TYR 8 Cb 0.13 -4.43 -0.22 0.00 0.42 0.00 0.00 41.96 37.86 2k2q s TYR 8 CO 0.63 -1.52 0.51 1.55 0.64 0.00 0.00 175.55 177.36 2k2q n VAL 9 N 5.17 1.01 -2.82 3.14 3.14 -1.26 -2.86 118.33 123.84 2k2q n VAL 9 Ca 0.39 -0.71 -0.43 0.00 -2.96 0.00 0.00 64.34 60.63 2k2q n VAL 9 Cb 0.44 -0.50 -0.04 0.00 -1.06 0.00 0.00 33.84 32.68 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 -2.91 3.23 0.74 1.55 0.00 -1.26 -4.90 121.76 118.22 2k2q s ALA 10 Ca -0.06 -0.82 -0.04 0.00 0.00 0.00 0.00 51.96 51.04 2k2q s ALA 10 Cb 0.09 -3.64 0.09 0.00 0.00 0.00 0.00 23.12 19.66 2k2q s ALA 10 CO 0.84 -2.08 0.60 -0.35 0.00 0.00 0.00 175.76 174.78 2k2q n PRO 11 N 7.18 -0.13 0.10 0.00 -0.04 -1.26 -5.00 135.00 135.84 2k2q n PRO 11 Ca 0.06 -1.32 -0.23 0.00 -0.04 0.00 0.00 63.50 61.97 2k2q n PRO 11 Cb 0.48 -0.50 -0.14 0.00 -0.04 0.00 0.00 33.50 33.30 2k2q n PRO 11 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2k2q h THR 12 N -0.86 1.29 -3.88 0.52 1.35 -1.96 -3.45 112.91 105.91 2k2q h THR 12 Ca -0.20 -2.51 -0.60 0.00 -0.55 0.00 0.00 66.41 62.56 2k2q h THR 12 Cb 0.65 2.78 -0.31 0.00 -1.73 0.00 0.00 68.15 69.53 2k2q h THR 12 CO 0.18 0.76 -0.85 0.21 -0.25 0.00 0.00 175.52 175.57 2k2q s ASN 13 N -7.45 2.44 0.56 5.36 3.04 -1.24 -5.02 114.94 112.62 2k2q s ASN 13 Ca -0.09 -0.41 0.24 0.00 0.04 0.00 0.00 52.86 52.64 2k2q s ASN 13 Cb 0.05 -0.72 1.52 0.00 -1.54 0.00 0.00 41.25 40.57 2k2q s ASN 13 CO 0.93 0.17 2.14 0.00 -3.04 0.00 0.00 177.10 177.31 2k2q h ALA 14 N 6.25 1.90 0.00 1.71 0.00 -1.95 -0.24 119.26 126.94 2k2q h ALA 14 Ca -0.32 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 2k2q h ALA 14 Cb 1.18 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 2k2q h ALA 14 CO 0.48 -0.16 -0.13 0.28 0.00 0.00 0.00 179.25 179.71 2k2q h VAL 15 N 0.00 0.44 -0.63 0.00 2.07 -1.98 -2.65 116.25 113.51 2k2q h VAL 15 Ca 0.06 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 66.89 2k2q h VAL 15 Cb 0.26 1.48 -0.03 0.00 -1.52 0.00 0.00 31.29 31.48 2k2q h VAL 15 CO -0.00 0.13 0.39 -0.33 0.02 0.00 0.00 177.57 177.78 2k2q h GLU 16 N 0.00 0.84 -0.26 1.57 4.39 -1.41 -0.29 114.58 119.42 2k2q h GLU 16 Ca -0.00 -0.06 -0.13 0.00 0.34 0.00 0.00 59.36 59.51 2k2q h GLU 16 Cb 0.47 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 2k2q h GLU 16 CO 0.02 0.58 -0.37 0.77 -1.16 0.00 0.00 179.01 178.85 2k2q h SER 17 N 0.85 0.62 -0.11 1.42 0.02 -1.61 0.16 113.55 114.91 2k2q h SER 17 Ca 0.23 -0.26 -0.07 0.00 -0.84 0.00 0.00 61.79 60.84 2k2q h SER 17 Cb -0.06 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.30 2k2q h SER 17 CO -0.05 0.93 -0.14 0.50 -1.14 0.00 0.00 176.83 176.94 2k2q h LYS 18 N 0.49 0.46 0.04 3.45 1.63 -1.22 -2.44 116.57 118.99 2k2q h LYS 18 Ca 0.05 -0.13 -0.29 0.00 -0.85 0.00 0.00 60.65 59.42 2k2q h LYS 18 Cb 0.87 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 32.41 2k2q h LYS 18 CO 0.07 0.60 -1.59 -0.07 -3.45 0.00 0.00 179.45 175.01 2k2q h LEU 19 N 0.43 0.13 -1.80 5.20 4.07 -0.88 -3.33 115.31 119.13 2k2q h LEU 19 Ca 0.08 -0.22 -0.02 0.00 0.08 0.00 0.00 57.88 57.80 2k2q h LEU 19 Cb 0.50 -0.04 -0.00 0.00 1.08 0.00 0.00 40.66 42.19 2k2q h LEU 19 CO 0.03 1.19 -0.05 0.00 -1.08 0.00 0.00 178.44 178.53 2k2q h ALA 20 N 0.79 1.84 -1.00 1.53 0.00 -0.51 -2.39 119.26 119.51 2k2q h ALA 20 Ca -0.25 -0.07 0.24 0.00 0.00 0.00 0.00 54.91 54.83 2k2q h ALA 20 Cb 1.98 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 19.64 2k2q h ALA 20 CO 0.11 0.13 0.64 0.93 0.00 0.00 0.00 179.25 181.05 2k2q h GLU 21 N 0.07 0.47 -0.84 0.00 4.39 -1.55 0.38 114.58 117.50 2k2q h GLU 21 Ca 0.02 -0.03 0.09 0.00 0.34 0.00 0.00 59.36 59.78 2k2q h GLU 21 Cb 0.13 -0.11 -0.07 0.00 -0.10 0.00 0.00 28.75 28.60 2k2q h GLU 21 CO 0.01 0.31 0.49 0.82 -1.16 0.00 0.00 179.01 179.48 2k2q h ILE 22 N 0.48 0.93 0.00 3.13 2.04 -1.65 -2.97 117.51 119.48 2k2q h ILE 22 Ca 0.57 -0.29 -0.15 0.00 1.00 0.00 0.00 64.86 66.00 2k2q h ILE 22 Cb 1.30 0.02 -0.03 0.00 -0.74 0.00 0.00 36.82 37.38 2k2q h ILE 22 CO -0.30 0.15 -1.71 0.79 0.00 0.00 0.00 178.15 177.08 2k2q n TRP 23 N -4.71 0.00 0.30 1.37 5.03 -0.57 -4.12 117.44 114.74 2k2q n TRP 23 Ca 0.14 0.00 0.18 0.00 3.03 0.00 0.00 57.50 60.85 2k2q n TRP 23 Cb 0.26 -0.48 0.79 0.00 -1.03 0.00 0.00 31.31 30.86 2k2q n TRP 23 CO 0.00 0.00 0.00 1.05 -0.03 0.00 0.00 177.69 178.71 2k2q h GLU 24 N 0.00 0.00 -0.12 -0.99 4.11 -0.32 0.21 114.58 117.47 2k2q h GLU 24 Ca -0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.21 2k2q h GLU 24 Cb 1.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.62 2k2q h GLU 24 CO 0.01 0.00 0.00 -2.13 0.07 0.00 0.00 179.01 176.96 2k2q n ARG 25 N -3.01 2.86 0.02 1.06 0.63 -1.12 -0.18 116.66 116.92 2k2q n ARG 25 Ca -0.00 -1.78 0.00 0.00 -0.92 0.00 0.00 57.85 55.15 2k2q n ARG 25 Cb 0.24 -1.14 0.00 0.00 0.45 0.00 0.00 32.46 32.01 2k2q n ARG 25 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 2k2q n VAL 26 N -0.23 0.12 -0.10 5.15 0.31 -0.98 -4.85 118.33 117.76 2k2q n VAL 26 Ca 0.05 0.04 -0.16 0.00 -0.01 0.00 0.00 64.34 64.27 2k2q n VAL 26 Cb 0.35 -1.07 -0.14 0.00 -0.91 0.00 0.00 33.84 32.07 2k2q n VAL 26 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 2k2q n LEU 27 N -2.91 1.95 0.00 7.52 7.94 0.09 -4.84 117.00 126.76 2k2q n LEU 27 Ca 0.00 -0.02 0.00 0.00 -1.11 0.00 0.00 56.01 54.88 2k2q n LEU 27 Cb 0.23 -0.46 0.00 0.00 0.53 0.00 0.00 43.42 43.72 2k2q n LEU 27 CO 0.00 0.77 0.00 0.61 -1.11 0.00 0.00 177.39 177.66 2k2q n GLY 28 N 2.04 1.29 2.46 -3.96 0.00 0.53 -4.92 105.19 102.63 2k2q n GLY 28 Ca -0.39 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.32 -0.29 0.63 1.61 0.31 0.75 -4.84 118.33 116.18 2k2q n VAL 29 Ca 0.00 0.00 0.08 0.00 -0.01 0.00 0.00 64.34 64.41 2k2q n VAL 29 Cb 0.00 -2.08 -0.10 0.00 -0.91 0.00 0.00 33.84 30.75 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 -1.10 0.84 -0.03 4.52 7.64 -1.26 -4.98 113.62 119.26 2k2q n SER 30 Ca -0.19 -0.71 0.00 0.00 1.01 0.00 0.00 58.87 58.98 2k2q n SER 30 Cb 0.62 1.16 0.00 0.00 -1.01 0.00 0.00 64.21 64.98 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 1.42 1.25 3.92 0.23 0.00 -1.26 -3.71 105.19 107.04 2k2q n GLY 31 Ca 0.02 -0.38 -0.26 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.05 4.99 0.00 -0.61 -5.25 -1.26 -0.07 121.20 116.95 2k2q s ILE 32 Ca 0.00 -0.07 0.00 0.00 -0.99 0.00 0.00 60.65 59.59 2k2q s ILE 32 Cb 0.00 -3.86 0.00 0.00 2.95 0.00 0.00 42.46 41.55 2k2q s ILE 32 CO 0.00 -0.72 0.00 0.61 -1.79 0.00 0.00 174.94 173.04 2k2q n GLY 33 N -2.02 3.10 3.07 6.27 0.00 -1.26 -4.90 105.19 109.46 2k2q n GLY 33 Ca -0.02 0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 3.86 -2.04 -0.61 2.08 -1.14 -4.21 119.36 117.30 2k2q n ILE 34 Ca 0.00 -3.79 -0.01 0.00 0.56 0.00 0.00 62.75 59.51 2k2q n ILE 34 Cb 0.00 -2.47 -0.01 0.00 -0.75 0.00 0.00 39.64 36.40 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 6.22 -0.13 -1.56 1.39 4.77 -1.26 -4.78 117.00 121.65 2k2q n LEU 35 Ca 0.47 -1.30 0.00 0.00 -0.03 0.00 0.00 56.01 55.15 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 0.82 0.92 -0.31 -0.67 -1.33 0.00 0.00 177.39 176.82 2k2q n ASP 36 N 0.04 -6.52 -0.93 -1.43 2.03 -1.26 -5.12 116.55 103.36 2k2q n ASP 36 Ca -0.06 0.93 0.00 0.00 0.52 0.00 0.00 54.79 56.19 2k2q n ASP 36 Cb 0.64 -3.62 0.00 0.00 -0.72 0.00 0.00 41.12 37.42 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 1.21 0.00 0.33 1.67 6.94 -1.11 -4.94 115.26 119.36 2k2q n ASN 37 Ca 0.00 -0.93 0.21 0.00 -0.02 0.00 0.00 54.58 53.84 2k2q n ASN 37 Cb 0.00 0.00 1.16 0.00 -2.36 0.00 0.00 39.78 38.58 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 0.93 0.00 0.00 -2.53 -5.15 -1.93 -3.03 116.94 105.23 2k2q h PHE 38 Ca 0.00 0.00 -0.12 0.00 -0.20 0.00 0.00 57.97 57.65 2k2q h PHE 38 Cb 0.00 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.15 2k2q h PHE 38 CO 0.00 0.00 -1.01 0.34 -2.00 0.00 0.00 178.31 175.64 2k2q n PHE 39 N -3.22 0.72 -2.73 6.09 7.35 -1.26 -4.65 117.46 119.75 2k2q n PHE 39 Ca -0.03 0.31 -0.43 0.00 -0.76 0.00 0.00 57.45 56.54 2k2q n PHE 39 Cb 0.08 -0.85 -0.01 0.00 0.35 0.00 0.00 39.48 39.05 2k2q n PHE 39 CO 0.00 0.00 0.00 -1.14 -0.76 0.00 0.00 176.76 174.86 2k2q s GLN 40 N -2.41 3.92 0.00 -4.13 0.74 -1.14 -3.45 119.66 113.19 2k2q s GLN 40 Ca -0.23 -2.02 0.00 0.00 0.05 0.00 0.00 55.36 53.15 2k2q s GLN 40 Cb 0.05 -5.29 0.00 0.00 1.10 0.00 0.00 33.01 28.87 2k2q s GLN 40 CO 0.38 -2.04 0.00 1.51 -0.55 0.00 0.00 175.29 174.59 2k2q n ILE 41 N 5.81 0.00 0.00 -2.34 0.13 -1.25 -2.76 119.36 118.95 2k2q n ILE 41 Ca 0.40 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 62.05 2k2q n ILE 41 Cb 0.46 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 39.26 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 -0.27 -1.12 3.68 4.50 0.00 -1.24 -5.03 105.19 105.71 2k2q n GLY 42 Ca 0.00 0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 2k2q n GLY 42 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k2q s GLY 43 N 0.00 1.73 0.18 -0.02 0.00 -1.22 -4.89 107.32 103.10 2k2q s GLY 43 Ca 0.00 0.95 0.19 0.00 0.00 0.00 0.00 44.72 45.86 2k2q s GLY 43 CO 0.00 2.68 1.08 0.45 0.00 0.00 0.00 173.10 177.31 2k2q h HIS 44 N 8.22 0.00 -2.64 1.90 3.86 -1.93 -3.47 115.15 121.09 2k2q h HIS 44 Ca -0.39 0.00 0.30 0.00 -1.16 0.00 0.00 60.37 59.12 2k2q h HIS 44 Cb 1.18 0.00 -0.11 0.00 1.06 0.00 0.00 27.41 29.54 2k2q h HIS 44 CO 0.78 0.30 -0.66 0.43 0.86 0.00 0.00 177.93 179.64 2k2q n SER 45 N -2.89 -6.85 -0.76 2.45 7.64 -1.26 -4.54 113.62 107.41 2k2q n SER 45 Ca -0.03 0.75 0.01 0.00 1.01 0.00 0.00 58.87 60.61 2k2q n SER 45 Cb 0.69 -3.65 0.01 0.00 -1.01 0.00 0.00 64.21 60.25 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 -3.86 0.30 0.00 -3.43 -0.00 -1.26 -4.89 117.00 103.86 2k2q n LEU 46 Ca -0.02 -1.30 0.00 0.00 -0.00 0.00 0.00 56.01 54.68 2k2q n LEU 46 Cb 0.53 -0.01 0.00 0.00 -0.00 0.00 0.00 43.42 43.94 2k2q n LEU 46 CO 0.02 0.33 0.00 0.29 -0.00 0.00 0.00 177.39 178.03 2k2q n LYS 47 N 0.11 0.00 0.06 1.47 4.76 -1.26 -5.02 118.16 118.27 2k2q n LYS 47 Ca 0.02 0.00 0.21 0.00 -2.87 0.00 0.00 58.31 55.67 2k2q n LYS 47 Cb 0.82 0.00 0.74 0.00 -1.84 0.00 0.00 35.03 34.74 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 1.22 2.23 -0.39 7.82 0.00 -2.00 0.47 119.26 128.63 2k2q h ALA 48 Ca 0.00 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.90 2k2q h ALA 48 Cb 0.00 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2k2q h ALA 48 CO 0.00 -0.69 0.26 1.98 0.00 0.00 0.00 179.25 180.79 2k2q h MET 49 N 0.00 0.50 -0.13 0.00 -1.53 -1.97 -1.03 114.93 110.77 2k2q h MET 49 Ca 0.22 -0.03 -0.23 0.00 -3.44 0.00 0.00 59.70 56.22 2k2q h MET 49 Cb 1.13 -0.11 0.01 0.00 -0.55 0.00 0.00 31.60 32.08 2k2q h MET 49 CO -0.00 0.33 -0.81 0.00 0.14 0.00 0.00 176.91 176.57 2k2q h ALA 50 N 1.76 0.28 -0.91 0.39 0.00 -1.13 -3.19 119.26 116.46 2k2q h ALA 50 Ca 0.14 -0.61 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 2k2q h ALA 50 Cb -0.05 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 2k2q h ALA 50 CO -0.03 0.68 0.50 0.28 0.00 0.00 0.00 179.25 180.67 2k2q h VAL 51 N 0.52 1.26 -0.67 0.00 2.07 -1.34 0.27 116.25 118.36 2k2q h VAL 51 Ca -0.06 -0.64 0.02 0.00 0.82 0.00 0.00 66.70 66.84 2k2q h VAL 51 Cb 1.45 0.03 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 2k2q h VAL 51 CO 0.17 0.29 0.44 0.00 0.02 0.00 0.00 177.57 178.49 2k2q h ALA 52 N 1.27 1.59 0.10 1.67 0.00 -1.22 -1.75 119.26 120.92 2k2q h ALA 52 Ca 0.32 -0.04 -0.30 0.00 0.00 0.00 0.00 54.91 54.89 2k2q h ALA 52 Cb 0.02 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2k2q h ALA 52 CO -0.05 0.36 -1.50 0.00 0.00 0.00 0.00 179.25 178.05 2k2q h ALA 53 N 1.60 0.31 -0.93 0.00 0.00 -1.39 -2.90 119.26 115.95 2k2q h ALA 53 Ca 0.26 -1.12 0.06 0.00 0.00 0.00 0.00 54.91 54.11 2k2q h ALA 53 Cb -0.00 0.26 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 2k2q h ALA 53 CO -0.07 1.17 0.59 1.96 0.00 0.00 0.00 179.25 182.91 2k2q h GLN 54 N 0.06 1.05 0.00 0.00 1.08 0.09 -0.56 115.11 116.83 2k2q h GLN 54 Ca -0.23 -0.06 -0.21 0.00 -1.45 0.00 0.00 58.65 56.70 2k2q h GLN 54 Cb 2.00 -0.24 -0.03 0.00 -0.05 0.00 0.00 27.48 29.16 2k2q h GLN 54 CO 0.15 0.69 -1.08 0.28 -0.95 0.00 0.00 178.83 177.93 2k2q h VAL 55 N 1.08 1.43 -0.46 -0.54 2.07 -1.46 0.12 116.25 118.48 2k2q h VAL 55 Ca 0.40 -3.11 -0.10 0.00 0.82 0.00 0.00 66.70 64.71 2k2q h VAL 55 Cb 0.15 2.70 -0.02 0.00 -1.52 0.00 0.00 31.29 32.60 2k2q h VAL 55 CO -0.17 0.81 -0.10 -0.74 0.02 0.00 0.00 177.57 177.39 2k2q h HIS 56 N 0.00 0.93 -0.02 1.57 6.17 -1.13 -3.11 115.15 119.56 2k2q h HIS 56 Ca -0.06 -0.17 0.00 0.00 0.71 0.00 0.00 60.37 60.84 2k2q h HIS 56 Cb 1.76 -0.24 0.00 0.00 2.52 0.00 0.00 27.41 31.45 2k2q h HIS 56 CO 0.00 0.90 -0.01 -2.13 0.71 0.00 0.00 177.93 177.40 2k2q n ARG 57 N -4.16 1.13 -2.99 5.26 3.00 -0.29 -5.03 116.66 113.57 2k2q n ARG 57 Ca 0.01 -1.38 -0.08 0.00 -0.00 0.00 0.00 57.85 56.41 2k2q n ARG 57 Cb 0.37 -1.29 0.01 0.00 0.00 0.00 0.00 32.46 31.55 2k2q n ARG 57 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 2k2q n GLU 58 N 0.81 -1.98 -2.28 -0.14 2.13 -0.49 -4.63 120.64 114.06 2k2q n GLU 58 Ca 0.09 1.83 -0.02 0.00 0.66 0.00 0.00 57.16 59.72 2k2q n GLU 58 Cb 0.38 -5.37 -0.02 0.00 0.27 0.00 0.00 31.44 26.70 2k2q n GLU 58 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 2k2q n TYR 59 N -0.86 -2.89 0.16 4.31 4.01 0.29 -4.93 117.16 117.25 2k2q n TYR 59 Ca 0.05 1.48 0.04 0.00 -0.16 0.00 0.00 57.90 59.31 2k2q n TYR 59 Cb 0.50 -3.19 0.11 0.00 -0.31 0.00 0.00 39.34 36.45 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 2.40 0.00 0.00 -0.72 4.20 -1.82 -3.47 115.11 115.70 2k2q h GLN 60 Ca -0.19 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.52 2k2q h GLN 60 Cb 0.42 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.20 2k2q h GLN 60 CO 0.04 0.43 0.00 0.28 -0.67 0.00 0.00 178.83 178.91 2k2q n VAL 61 N -3.26 0.00 0.04 -0.54 0.31 -1.26 -3.45 118.33 110.17 2k2q n VAL 61 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 2k2q n VAL 61 Cb 0.67 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.60 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 -3.01 5.55 -0.58 -1.26 -5.02 120.64 116.32 2k2q n GLU 62 Ca 0.00 0.00 -0.41 0.00 -0.42 0.00 0.00 57.16 56.33 2k2q n GLU 62 Cb 0.00 -0.36 -0.05 0.00 -0.57 0.00 0.00 31.44 30.46 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 -6.49 4.09 -0.75 -4.62 1.43 -1.22 -4.96 118.68 106.15 2k2q s LEU 63 Ca 0.00 0.70 -0.04 0.00 -1.03 0.00 0.00 54.13 53.77 2k2q s LEU 63 Cb 0.00 -2.99 0.15 0.00 0.03 0.00 0.00 46.19 43.38 2k2q s LEU 63 CO 0.00 -0.50 2.49 -0.81 0.23 0.00 0.00 176.35 177.75 2k2q n PRO 64 N 5.97 3.16 -2.79 1.29 -0.04 -1.26 -4.85 135.00 136.48 2k2q n PRO 64 Ca 0.02 -2.97 -0.41 0.00 -0.04 0.00 0.00 63.50 60.10 2k2q n PRO 64 Cb 0.48 -2.29 -0.04 0.00 -0.04 0.00 0.00 33.50 31.61 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 -2.68 4.38 -0.67 1.53 0.20 -1.26 -3.46 118.68 116.71 2k2q s LEU 65 Ca 0.55 1.58 -0.06 0.00 0.69 0.00 0.00 54.13 56.90 2k2q s LEU 65 Cb 0.34 -3.47 0.01 0.00 -0.43 0.00 0.00 46.19 42.64 2k2q s LEU 65 CO -0.23 -0.19 0.66 1.17 -0.29 0.00 0.00 176.35 177.48 2k2q n LYS 66 N 3.66 -1.62 0.00 1.98 4.81 -1.20 -4.93 118.16 120.86 2k2q n LYS 66 Ca 0.04 1.51 0.00 0.00 -0.87 0.00 0.00 58.31 58.99 2k2q n LYS 66 Cb 0.51 -4.99 0.00 0.00 0.02 0.00 0.00 35.03 30.57 2k2q n LYS 66 CO 0.00 0.00 0.00 1.55 1.17 0.00 0.00 177.40 180.12 2k2q n VAL 67 N -1.50 0.00 0.02 3.15 3.14 -1.26 -4.93 118.33 116.95 2k2q n VAL 67 Ca -0.03 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.35 2k2q n VAL 67 Cb 0.53 -0.01 0.00 0.00 -1.06 0.00 0.00 33.84 33.30 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 -2.21 -0.33 0.22 6.55 7.94 -1.26 -4.91 117.00 123.00 2k2q n LEU 68 Ca 0.00 0.10 -0.15 0.00 -1.11 0.00 0.00 56.01 54.84 2k2q n LEU 68 Cb 0.00 0.60 -0.08 0.00 0.53 0.00 0.00 43.42 44.47 2k2q n LEU 68 CO 0.00 -0.24 0.71 -0.26 -1.11 0.00 0.00 177.39 176.49 2k2q h PHE 69 N 0.00 -0.47 -0.50 1.96 0.04 -1.91 -3.08 116.94 112.99 2k2q h PHE 69 Ca 0.00 -0.01 -0.48 0.00 2.80 0.00 0.00 57.97 60.28 2k2q h PHE 69 Cb 0.00 0.15 -0.09 0.00 2.20 0.00 0.00 35.95 38.22 2k2q h PHE 69 CO 0.00 -0.26 1.26 0.00 -0.60 0.00 0.00 178.31 178.71 2k2q n ALA 70 N -2.34 6.74 -3.40 2.45 0.00 -1.22 -4.74 120.51 118.00 2k2q n ALA 70 Ca -0.11 -2.94 -0.11 0.00 0.00 0.00 0.00 53.44 50.28 2k2q n ALA 70 Cb 0.23 -2.59 -0.09 0.00 0.00 0.00 0.00 19.45 17.00 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 0.13 0.31 0.00 0.00 -1.52 -1.16 -3.27 119.66 114.14 2k2q s GLN 71 Ca 0.63 0.49 0.00 0.00 -1.95 0.00 0.00 55.36 54.53 2k2q s GLN 71 Cb 0.28 -0.60 0.00 0.00 -0.22 0.00 0.00 33.01 32.48 2k2q s GLN 71 CO -0.09 -0.62 0.77 -0.35 -0.25 0.00 0.00 175.29 174.75 2k2q n PRO 72 N 5.36 0.96 -3.08 2.91 -0.04 -1.26 -3.88 135.00 135.97 2k2q n PRO 72 Ca -0.04 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.23 2k2q n PRO 72 Cb 0.50 -1.19 -0.03 0.00 -0.04 0.00 0.00 33.50 32.74 2k2q n PRO 72 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2k2q n THR 73 N -0.29 -0.42 0.15 0.52 -1.04 -1.26 -3.71 114.28 108.24 2k2q n THR 73 Ca 0.00 -3.52 0.07 0.00 -2.04 0.00 0.00 64.05 58.55 2k2q n THR 73 Cb 0.10 -0.76 0.56 0.00 -1.82 0.00 0.00 70.33 68.41 2k2q n THR 73 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 2k2q h ILE 74 N 2.03 1.03 -0.31 12.58 2.04 -1.90 -1.52 117.51 131.47 2k2q h ILE 74 Ca 0.03 -0.07 0.02 0.00 1.00 0.00 0.00 64.86 65.84 2k2q h ILE 74 Cb 0.94 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.81 2k2q h ILE 74 CO 0.42 0.04 0.21 0.07 0.00 0.00 0.00 178.15 178.89 2k2q h LYS 75 N 0.21 0.33 -0.52 2.37 5.09 -1.94 -1.74 116.57 120.37 2k2q h LYS 75 Ca 0.06 -0.02 -0.07 0.00 0.09 0.00 0.00 60.65 60.72 2k2q h LYS 75 Cb 0.01 -0.08 -0.02 0.00 0.10 0.00 0.00 32.23 32.24 2k2q h LYS 75 CO -0.01 0.22 0.07 0.00 -2.09 0.00 0.00 179.45 177.64 2k2q h ALA 76 N 1.82 0.69 -0.01 0.07 0.00 -1.70 -1.71 119.26 118.42 2k2q h ALA 76 Ca 0.12 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 2k2q h ALA 76 Cb 0.07 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2k2q h ALA 76 CO -0.03 0.44 -0.21 -0.07 0.00 0.00 0.00 179.25 179.38 2k2q h LEU 77 N 0.75 0.02 -0.02 0.00 3.38 -1.38 0.40 115.31 118.45 2k2q h LEU 77 Ca 0.16 -0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.96 2k2q h LEU 77 Cb 0.42 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 2k2q h LEU 77 CO 0.01 0.23 -0.79 0.00 0.09 0.00 0.00 178.44 177.98 2k2q h ALA 78 N 1.77 0.49 0.00 1.53 0.00 -0.99 -0.58 119.26 121.48 2k2q h ALA 78 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 54.19 2k2q h ALA 78 Cb 0.39 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2k2q h ALA 78 CO 0.03 0.99 -1.06 0.00 0.00 0.00 0.00 179.25 179.21 2k2q n GLN 79 N -3.31 0.35 -0.13 0.00 10.64 -0.68 -4.35 117.38 119.90 2k2q n GLN 79 Ca 0.01 0.00 -0.21 0.00 -1.83 0.00 0.00 57.00 54.97 2k2q n GLN 79 Cb 0.85 -1.62 -0.11 0.00 -0.86 0.00 0.00 30.24 28.50 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 -2.07 0.00 -3.72 2.61 4.01 0.09 -4.79 117.16 113.29 2k2q n TYR 80 Ca 0.01 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.40 2k2q n TYR 80 Cb 0.46 -0.97 -0.09 0.00 -0.31 0.00 0.00 39.34 38.43 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 -2.50 3.79 0.00 -0.72 1.01 -0.23 -5.07 120.40 116.68 2k2q s VAL 81 Ca -0.35 -3.34 0.00 0.00 0.00 0.00 0.00 61.98 58.29 2k2q s VAL 81 Cb 0.10 -3.44 0.00 0.00 0.00 0.00 0.00 36.38 33.05 2k2q s VAL 81 CO 0.55 -0.94 0.00 0.00 0.00 0.00 0.00 175.10 174.71