#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 0.61 1.27 -5.12 0.00 -1.26 -4.82 105.19 95.87 2k2q n GLY 2 Ca 0.00 -0.49 0.10 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.64 1.03 -1.01 1.61 0.24 -1.26 -4.88 118.33 111.42 2k2q n VAL 3 Ca -0.01 -0.92 -0.31 0.00 -2.04 0.00 0.00 64.34 61.06 2k2q n VAL 3 Cb 0.51 0.38 0.13 0.00 -1.47 0.00 0.00 33.84 33.39 2k2q n VAL 3 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2k2q s THR 4 N -1.24 2.75 -0.06 3.34 -4.23 -1.26 -4.74 115.64 110.20 2k2q s THR 4 Ca 0.45 0.24 -0.29 0.00 -1.18 0.00 0.00 61.69 60.91 2k2q s THR 4 Cb 0.24 -2.53 -0.07 0.00 1.34 0.00 0.00 72.50 71.48 2k2q s THR 4 CO 0.29 -0.32 2.07 -1.61 -0.54 0.00 0.00 174.62 174.51 2k2q s GLU 5 N -4.79 3.76 0.04 3.99 8.01 -1.26 -4.55 118.70 123.90 2k2q s GLU 5 Ca 0.64 2.40 -0.30 0.00 0.01 0.00 0.00 54.97 57.72 2k2q s GLU 5 Cb -0.20 -4.25 -0.04 0.00 -4.31 0.00 0.00 34.13 25.34 2k2q s GLU 5 CO 0.57 -1.39 1.03 0.00 0.01 0.00 0.00 175.26 175.48 2k2q s ALA 6 N 5.93 3.23 -0.69 5.21 0.00 0.10 -4.92 121.76 130.61 2k2q s ALA 6 Ca 0.93 0.63 0.09 0.00 0.00 0.00 0.00 51.96 53.61 2k2q s ALA 6 Cb -0.39 -3.36 0.50 0.00 0.00 0.00 0.00 23.12 19.87 2k2q s ALA 6 CO 0.39 -0.25 1.28 1.04 0.00 0.00 0.00 175.76 178.23 2k2q n GLN 7 N 3.68 3.27 -3.42 0.00 1.13 -1.26 -4.55 117.38 116.24 2k2q n GLN 7 Ca 0.06 -1.92 -0.26 0.00 -1.94 0.00 0.00 57.00 52.94 2k2q n GLN 7 Cb 0.49 -1.91 -0.11 0.00 0.11 0.00 0.00 30.24 28.83 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 -2.01 0.62 -0.31 1.08 5.04 -1.26 -5.06 117.35 115.44 2k2q s TYR 8 Ca 0.33 -1.66 -0.00 0.00 -2.44 0.00 0.00 57.07 53.30 2k2q s TYR 8 Cb 0.25 -0.82 0.13 0.00 0.35 0.00 0.00 41.96 41.88 2k2q s TYR 8 CO 0.11 -0.86 0.27 0.54 -1.34 0.00 0.00 175.55 174.28 2k2q s VAL 9 N 0.88 -0.30 -0.20 3.14 0.11 -1.26 -4.10 120.40 118.67 2k2q s VAL 9 Ca 0.22 -0.69 -0.08 0.00 -2.93 0.00 0.00 61.98 58.49 2k2q s VAL 9 Cb -0.15 -0.95 0.08 0.00 -1.53 0.00 0.00 36.38 33.83 2k2q s VAL 9 CO -0.04 -0.56 0.44 0.00 -3.33 0.00 0.00 175.10 171.60 2k2q s ALA 10 N 2.09 -1.19 0.10 1.54 0.00 -1.26 -5.12 121.76 117.92 2k2q s ALA 10 Ca 0.11 1.58 -0.31 0.00 0.00 0.00 0.00 51.96 53.35 2k2q s ALA 10 Cb -0.15 -1.22 -0.10 0.00 0.00 0.00 0.00 23.12 21.65 2k2q s ALA 10 CO -0.27 -0.59 1.81 -2.14 0.00 0.00 0.00 175.76 174.57 2k2q s PRO 11 N 2.20 4.15 0.08 0.00 0.02 -1.26 -4.91 135.00 135.27 2k2q s PRO 11 Ca -0.05 2.54 -0.20 0.00 0.02 0.00 0.00 61.00 63.31 2k2q s PRO 11 Cb -0.11 -3.69 -0.10 0.00 0.02 0.00 0.00 34.50 30.62 2k2q s PRO 11 CO -0.13 -0.84 1.57 1.79 -0.33 0.00 0.00 177.00 179.05 2k2q h THR 12 N 4.88 1.20 -2.39 0.99 1.35 -1.98 -3.45 112.91 113.51 2k2q h THR 12 Ca -0.46 -0.64 -0.58 0.00 -0.55 0.00 0.00 66.41 64.18 2k2q h THR 12 Cb 1.22 1.30 -0.11 0.00 -1.73 0.00 0.00 68.15 68.83 2k2q h THR 12 CO 0.94 0.20 -0.67 0.21 -0.25 0.00 0.00 175.52 175.95 2k2q s ASN 13 N -5.67 4.42 0.47 5.36 3.84 -1.26 -5.03 114.94 117.07 2k2q s ASN 13 Ca -0.14 -0.65 0.13 0.00 0.21 0.00 0.00 52.86 52.41 2k2q s ASN 13 Cb 0.07 -0.78 1.11 0.00 -0.55 0.00 0.00 41.25 41.09 2k2q s ASN 13 CO 0.71 0.03 2.10 0.00 -2.79 0.00 0.00 177.10 177.15 2k2q h ALA 14 N 2.16 1.91 -0.38 1.71 0.00 -2.02 -1.83 119.26 120.81 2k2q h ALA 14 Ca -0.44 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.39 2k2q h ALA 14 Cb 1.24 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 2k2q h ALA 14 CO 0.59 0.07 -0.04 0.28 0.00 0.00 0.00 179.25 180.14 2k2q h VAL 15 N 0.23 1.23 0.00 0.00 2.07 -1.97 -2.25 116.25 115.55 2k2q h VAL 15 Ca 0.08 -0.96 0.00 0.00 0.82 0.00 0.00 66.70 66.64 2k2q h VAL 15 Cb 0.04 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 2k2q h VAL 15 CO -0.02 0.33 0.00 -0.62 0.02 0.00 0.00 177.57 177.28 2k2q n GLU 16 N -4.23 0.18 0.21 1.57 -0.58 -0.69 -2.69 120.64 114.42 2k2q n GLU 16 Ca 0.02 0.37 0.15 0.00 -0.42 0.00 0.00 57.16 57.28 2k2q n GLU 16 Cb 0.29 -1.82 0.67 0.00 -0.57 0.00 0.00 31.44 30.01 2k2q n GLU 16 CO 0.00 0.00 0.00 0.77 -0.48 0.00 0.00 177.13 177.42 2k2q h SER 17 N 0.00 0.00 0.79 1.62 0.02 -1.38 -1.62 113.55 112.98 2k2q h SER 17 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2k2q h SER 17 Cb 0.41 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.95 2k2q h SER 17 CO 0.00 0.00 -0.72 0.11 -1.14 0.00 0.00 176.83 175.08 2k2q h LYS 18 N 0.00 0.00 -0.30 3.45 1.79 -1.68 -3.35 116.57 116.48 2k2q h LYS 18 Ca 0.00 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.40 2k2q h LYS 18 Cb 0.28 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.91 2k2q h LYS 18 CO 0.00 0.00 -0.10 -0.07 -1.08 0.00 0.00 179.45 178.20 2k2q h LEU 19 N 0.00 0.47 -1.53 2.94 3.38 -1.47 -1.99 115.31 117.12 2k2q h LEU 19 Ca 0.00 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 2k2q h LEU 19 Cb 0.76 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 2k2q h LEU 19 CO 0.00 0.62 -0.19 0.00 0.09 0.00 0.00 178.44 178.95 2k2q h ALA 20 N 1.44 1.18 0.22 1.53 0.00 -1.70 -1.31 119.26 120.62 2k2q h ALA 20 Ca 0.09 -0.18 -0.34 0.00 0.00 0.00 0.00 54.91 54.48 2k2q h ALA 20 Cb 0.46 -0.03 0.03 0.00 0.00 0.00 0.00 17.79 18.24 2k2q h ALA 20 CO 0.03 0.24 -1.61 1.49 0.00 0.00 0.00 179.25 179.40 2k2q h GLU 21 N 0.00 0.47 0.03 0.00 4.81 -1.59 -1.34 114.58 116.96 2k2q h GLU 21 Ca -0.00 -0.81 -0.00 0.00 -0.13 0.00 0.00 59.36 58.42 2k2q h GLU 21 Cb 0.54 0.30 0.00 0.00 0.63 0.00 0.00 28.75 30.22 2k2q h GLU 21 CO 0.03 1.39 -0.01 0.82 -0.73 0.00 0.00 179.01 180.50 2k2q h ILE 22 N 0.12 1.40 0.00 2.32 2.04 -1.21 -3.36 117.51 118.82 2k2q h ILE 22 Ca -0.30 -1.52 -0.06 0.00 1.00 0.00 0.00 64.86 63.99 2k2q h ILE 22 Cb 2.13 2.39 -0.01 0.00 -0.74 0.00 0.00 36.82 40.60 2k2q h ILE 22 CO 0.23 0.38 -1.18 0.79 0.00 0.00 0.00 178.15 178.37 2k2q n TRP 23 N -4.79 0.00 -0.31 1.37 7.02 -0.51 -4.43 117.44 115.79 2k2q n TRP 23 Ca -0.09 0.00 0.14 0.00 -1.02 0.00 0.00 57.50 56.53 2k2q n TRP 23 Cb 0.32 -0.56 0.38 0.00 -2.42 0.00 0.00 31.31 29.03 2k2q n TRP 23 CO 0.00 0.00 0.00 1.49 -2.02 0.00 0.00 177.69 177.16 2k2q h GLU 24 N -0.99 0.66 0.00 -0.99 4.81 -1.60 0.42 114.58 116.89 2k2q h GLU 24 Ca -0.08 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 2k2q h GLU 24 Cb 1.07 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.30 2k2q h GLU 24 CO -0.05 0.44 0.00 -2.13 -0.73 0.00 0.00 179.01 176.53 2k2q n ARG 25 N -4.64 0.01 0.09 1.92 3.00 -0.51 0.04 116.66 116.56 2k2q n ARG 25 Ca 0.21 0.22 0.00 0.00 -0.00 0.00 0.00 57.85 58.28 2k2q n ARG 25 Cb 0.57 -1.51 0.00 0.00 0.00 0.00 0.00 32.46 31.51 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 -1.53 0.63 0.09 5.15 0.31 0.12 -4.84 118.33 118.27 2k2q n VAL 26 Ca 0.04 0.21 -0.14 0.00 -0.01 0.00 0.00 64.34 64.44 2k2q n VAL 26 Cb 0.20 -1.06 -0.09 0.00 -0.91 0.00 0.00 33.84 31.98 2k2q n VAL 26 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2k2q h LEU 27 N 0.00 0.45 0.00 7.52 4.07 -0.49 -3.42 115.31 123.43 2k2q h LEU 27 Ca 0.00 -0.42 0.00 0.00 0.08 0.00 0.00 57.88 57.54 2k2q h LEU 27 Cb 0.00 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 41.60 2k2q h LEU 27 CO 0.00 1.27 0.00 0.61 -1.08 0.00 0.00 178.44 179.24 2k2q n GLY 28 N 1.24 1.42 4.48 0.83 0.00 -0.91 -4.82 105.19 107.43 2k2q n GLY 28 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 0.00 0.00 -0.23 1.61 0.31 0.11 -4.68 118.33 115.45 2k2q n VAL 29 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.26 2k2q n VAL 29 Cb 0.00 0.00 0.03 0.00 -0.91 0.00 0.00 33.84 32.96 2k2q n VAL 29 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 2k2q h SER 30 N 0.00 0.92 0.00 4.52 4.64 -1.87 -3.47 113.55 118.28 2k2q h SER 30 Ca 0.00 -0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 2k2q h SER 30 Cb 0.00 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 61.85 2k2q h SER 30 CO 0.00 0.87 0.00 0.61 -0.87 0.00 0.00 176.83 177.44 2k2q n GLY 31 N -0.74 1.00 4.01 -0.77 0.00 -1.26 -4.62 105.19 102.81 2k2q n GLY 31 Ca 0.04 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.98 2.49 0.00 -0.61 -5.25 -1.26 0.00 121.20 114.59 2k2q s ILE 32 Ca 0.00 -0.91 0.00 0.00 -0.99 0.00 0.00 60.65 58.75 2k2q s ILE 32 Cb 0.00 -2.58 0.00 0.00 2.95 0.00 0.00 42.46 42.83 2k2q s ILE 32 CO 0.00 0.00 0.00 0.61 -1.79 0.00 0.00 174.94 173.76 2k2q n GLY 33 N -2.20 4.34 2.17 6.27 0.00 -1.26 -4.84 105.19 109.67 2k2q n GLY 33 Ca 0.12 -0.92 -0.26 0.00 0.00 0.00 0.00 46.02 44.97 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 3.69 -2.06 -0.61 2.08 -1.26 -4.14 119.36 117.05 2k2q n ILE 34 Ca 0.00 -2.15 -0.02 0.00 0.56 0.00 0.00 62.75 61.14 2k2q n ILE 34 Cb 0.00 -2.26 0.10 0.00 -0.75 0.00 0.00 39.64 36.73 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 2.88 2.70 -1.14 1.39 4.77 -1.26 -5.07 117.00 121.27 2k2q n LEU 35 Ca 0.60 -3.56 0.00 0.00 -0.03 0.00 0.00 56.01 53.01 2k2q n LEU 35 Cb 0.58 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 2k2q n LEU 35 CO 0.48 1.32 -0.26 -0.67 -1.33 0.00 0.00 177.39 176.93 2k2q n ASP 36 N -0.59 -5.96 -0.65 -1.43 2.03 -1.26 -5.12 116.55 103.57 2k2q n ASP 36 Ca 0.20 0.74 0.00 0.00 0.52 0.00 0.00 54.79 56.25 2k2q n ASP 36 Cb 0.87 -2.62 0.00 0.00 -0.72 0.00 0.00 41.12 38.65 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 0.41 0.00 0.00 1.67 6.94 -1.26 -4.96 115.26 118.06 2k2q n ASN 37 Ca 0.00 -0.65 0.09 0.00 -0.02 0.00 0.00 54.58 54.00 2k2q n ASN 37 Cb 0.00 0.00 0.51 0.00 -2.36 0.00 0.00 39.78 37.93 2k2q n ASN 37 CO 0.00 0.00 0.00 2.22 -1.03 0.00 0.00 177.26 178.45 2k2q n PHE 38 N 0.00 0.00 -0.00 -2.53 -1.74 -1.26 -3.37 117.46 108.55 2k2q n PHE 38 Ca 0.00 0.00 -0.00 0.00 -0.56 0.00 0.00 57.45 56.89 2k2q n PHE 38 Cb 0.00 0.00 -0.00 0.00 1.52 0.00 0.00 39.48 41.00 2k2q n PHE 38 CO 0.00 0.00 0.00 0.34 -0.56 0.00 0.00 176.76 176.54 2k2q n PHE 39 N -0.97 0.00 0.10 2.97 7.35 -1.26 -4.65 117.46 121.00 2k2q n PHE 39 Ca 0.13 0.00 0.13 0.00 -0.76 0.00 0.00 57.45 56.95 2k2q n PHE 39 Cb 0.06 -0.02 0.63 0.00 0.35 0.00 0.00 39.48 40.49 2k2q n PHE 39 CO 0.00 0.00 0.00 0.37 -0.76 0.00 0.00 176.76 176.37 2k2q h GLN 40 N -0.00 0.09 0.00 -4.13 5.75 -1.92 0.10 115.11 115.00 2k2q h GLN 40 Ca -0.01 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 2k2q h GLN 40 Cb 1.02 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.55 2k2q h GLN 40 CO -0.00 0.06 0.00 0.97 -2.65 0.00 0.00 178.83 177.21 2k2q h ILE 41 N 0.09 0.00 0.00 2.39 6.09 -1.83 -3.48 117.51 120.77 2k2q h ILE 41 Ca 0.14 -0.61 0.00 0.00 -1.37 0.00 0.00 64.86 63.02 2k2q h ILE 41 Cb 0.46 1.57 0.00 0.00 0.47 0.00 0.00 36.82 39.31 2k2q h ILE 41 CO -0.01 0.00 0.00 0.61 -3.07 0.00 0.00 178.15 175.68 2k2q n GLY 42 N 0.50 2.70 3.90 8.18 0.00 0.35 -5.02 105.19 115.80 2k2q n GLY 42 Ca 0.02 -1.90 0.01 0.00 0.00 0.00 0.00 46.02 44.15 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 -0.11 0.00 -0.02 0.00 -1.26 -4.76 107.32 101.18 2k2q s GLY 43 Ca 0.00 0.03 0.28 0.00 0.00 0.00 0.00 44.72 45.03 2k2q s GLY 43 CO 0.00 3.77 1.75 -2.39 0.00 0.00 0.00 173.10 176.23 2k2q n HIS 44 N -0.77 0.00 -1.10 1.90 1.44 -1.26 -4.94 115.22 110.48 2k2q n HIS 44 Ca -0.00 0.00 0.15 0.00 -2.01 0.00 0.00 57.72 55.86 2k2q n HIS 44 Cb 0.60 -0.23 -0.04 0.00 0.12 0.00 0.00 29.99 30.43 2k2q n HIS 44 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 2k2q n SER 45 N -1.09 -6.54 -0.22 4.39 7.64 -1.26 -4.80 113.62 111.74 2k2q n SER 45 Ca 0.11 0.47 0.01 0.00 1.01 0.00 0.00 58.87 60.47 2k2q n SER 45 Cb 0.31 -3.35 0.01 0.00 -1.01 0.00 0.00 64.21 60.17 2k2q n SER 45 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2k2q n LEU 46 N -3.51 0.29 -4.43 -3.43 7.94 -1.26 -5.07 117.00 107.52 2k2q n LEU 46 Ca 0.00 -0.76 -0.21 0.00 -1.11 0.00 0.00 56.01 53.94 2k2q n LEU 46 Cb 0.50 -0.03 -0.11 0.00 0.53 0.00 0.00 43.42 44.32 2k2q n LEU 46 CO 0.01 0.19 -0.27 -0.54 -1.11 0.00 0.00 177.39 175.67 2k2q s LYS 47 N -0.25 1.62 0.10 1.96 1.02 -1.26 -5.02 119.74 117.91 2k2q s LYS 47 Ca 0.02 -1.90 0.12 0.00 0.02 0.00 0.00 55.97 54.23 2k2q s LYS 47 Cb 0.02 -0.80 0.56 0.00 -0.52 0.00 0.00 37.83 37.09 2k2q s LYS 47 CO 0.00 -0.20 1.38 0.00 -0.92 0.00 0.00 175.35 175.61 2k2q n ALA 48 N -0.66 1.31 0.31 5.17 0.00 -1.26 -2.21 120.51 123.17 2k2q n ALA 48 Ca -0.02 0.04 0.19 0.00 0.00 0.00 0.00 53.44 53.65 2k2q n ALA 48 Cb 0.67 -1.19 0.91 0.00 0.00 0.00 0.00 19.45 19.84 2k2q n ALA 48 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 2k2q h MET 49 N 0.00 0.00 0.00 0.00 -1.53 -1.99 -1.94 114.93 109.46 2k2q h MET 49 Ca 0.00 0.00 -0.04 0.00 -3.44 0.00 0.00 59.70 56.22 2k2q h MET 49 Cb 0.13 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.18 2k2q h MET 49 CO 0.00 0.00 -0.20 0.00 0.14 0.00 0.00 176.91 176.85 2k2q h ALA 50 N 2.01 1.62 -0.56 0.39 0.00 -1.77 -2.43 119.26 118.51 2k2q h ALA 50 Ca 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2k2q h ALA 50 Cb 0.27 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 2k2q h ALA 50 CO 0.00 0.25 0.31 0.28 0.00 0.00 0.00 179.25 180.08 2k2q h VAL 51 N 0.00 1.19 -0.09 0.00 2.07 -1.59 0.57 116.25 118.39 2k2q h VAL 51 Ca -0.00 -0.48 0.03 0.00 0.82 0.00 0.00 66.70 67.07 2k2q h VAL 51 Cb 0.36 0.47 -0.00 0.00 -1.52 0.00 0.00 31.29 30.60 2k2q h VAL 51 CO 0.03 0.20 0.08 0.00 0.02 0.00 0.00 177.57 177.90 2k2q h ALA 52 N 1.14 1.88 0.00 1.67 0.00 -1.57 -0.12 119.26 122.26 2k2q h ALA 52 Ca 0.20 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.95 2k2q h ALA 52 Cb 0.05 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2k2q h ALA 52 CO -0.03 -0.13 -0.87 0.00 0.00 0.00 0.00 179.25 178.22 2k2q h ALA 53 N 1.93 0.17 -0.93 0.00 0.00 -1.37 -3.05 119.26 116.01 2k2q h ALA 53 Ca 0.04 -0.95 0.04 0.00 0.00 0.00 0.00 54.91 54.05 2k2q h ALA 53 Cb 0.20 0.53 -0.06 0.00 0.00 0.00 0.00 17.79 18.47 2k2q h ALA 53 CO -0.00 0.51 0.61 1.96 0.00 0.00 0.00 179.25 182.32 2k2q h GLN 54 N -1.00 1.10 0.00 0.00 1.08 -0.67 0.48 115.11 116.11 2k2q h GLN 54 Ca -0.23 -0.07 -0.08 0.00 -1.45 0.00 0.00 58.65 56.82 2k2q h GLN 54 Cb 1.12 -0.25 -0.01 0.00 -0.05 0.00 0.00 27.48 28.29 2k2q h GLN 54 CO -0.14 0.73 -0.72 0.28 -0.95 0.00 0.00 178.83 178.03 2k2q h VAL 55 N 1.13 0.44 0.00 -0.54 2.07 -1.21 -0.27 116.25 117.88 2k2q h VAL 55 Ca 0.38 -1.69 -0.09 0.00 0.82 0.00 0.00 66.70 66.11 2k2q h VAL 55 Cb 0.07 2.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.89 2k2q h VAL 55 CO -0.12 0.25 -1.08 -0.74 0.02 0.00 0.00 177.57 175.90 2k2q h HIS 56 N 0.00 0.00 -0.03 1.57 2.76 -1.29 -3.28 115.15 114.88 2k2q h HIS 56 Ca -0.04 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.13 2k2q h HIS 56 Cb 1.29 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.25 2k2q h HIS 56 CO 0.00 0.34 -0.07 -2.13 -1.30 0.00 0.00 177.93 174.77 2k2q n ARG 57 N -2.87 2.15 -3.06 5.26 3.00 0.11 -5.00 116.66 116.25 2k2q n ARG 57 Ca -0.04 -1.77 -0.03 0.00 -0.00 0.00 0.00 57.85 56.01 2k2q n ARG 57 Cb 0.71 -1.46 0.00 0.00 0.00 0.00 0.00 32.46 31.71 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 1.12 -1.55 -2.59 -0.14 2.13 -1.06 -4.58 120.64 113.98 2k2q n GLU 58 Ca 0.14 1.59 -0.02 0.00 0.66 0.00 0.00 57.16 59.52 2k2q n GLU 58 Cb 0.57 -5.55 -0.02 0.00 0.27 0.00 0.00 31.44 26.72 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 -1.50 -3.91 0.04 4.31 4.01 -0.14 -4.96 117.16 115.00 2k2q n TYR 59 Ca 0.01 1.95 -0.19 0.00 -0.16 0.00 0.00 57.90 59.50 2k2q n TYR 59 Cb 0.50 -3.82 -0.12 0.00 -0.31 0.00 0.00 39.34 35.58 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 3.19 0.43 0.00 -0.72 4.20 -1.81 -3.47 115.11 116.94 2k2q h GLN 60 Ca -0.20 -0.55 0.00 0.00 0.06 0.00 0.00 58.65 57.96 2k2q h GLN 60 Cb 0.44 0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.40 2k2q h GLN 60 CO 0.06 1.21 0.00 0.28 -0.67 0.00 0.00 178.83 179.71 2k2q n VAL 61 N -4.10 0.00 0.00 -0.54 0.31 -1.26 -4.01 118.33 108.73 2k2q n VAL 61 Ca -0.12 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 2k2q n VAL 61 Cb 0.79 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.72 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 -4.14 5.55 -0.58 -1.26 -5.02 120.64 115.19 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 -0.13 -0.09 0.00 -0.57 0.00 0.00 31.44 30.66 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 -3.49 3.87 -1.04 -4.62 1.43 -1.26 -4.97 118.68 108.60 2k2q s LEU 63 Ca 0.00 0.22 -0.07 0.00 -1.03 0.00 0.00 54.13 53.25 2k2q s LEU 63 Cb 0.00 -1.93 -0.04 0.00 0.03 0.00 0.00 46.19 44.26 2k2q s LEU 63 CO 0.00 0.33 2.88 -0.81 0.23 0.00 0.00 176.35 178.98 2k2q n PRO 64 N 2.49 3.46 -2.72 1.29 -0.04 -1.26 -4.81 135.00 133.41 2k2q n PRO 64 Ca -0.18 -2.39 -0.40 0.00 -0.04 0.00 0.00 63.50 60.48 2k2q n PRO 64 Cb 0.54 -2.49 -0.05 0.00 -0.04 0.00 0.00 33.50 31.45 2k2q n PRO 64 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2k2q s LEU 65 N -0.95 4.61 -0.83 1.53 1.02 -1.26 -4.01 118.68 118.79 2k2q s LEU 65 Ca 0.63 1.95 -0.03 0.00 0.02 0.00 0.00 54.13 56.69 2k2q s LEU 65 Cb 0.24 -3.61 -0.04 0.00 0.02 0.00 0.00 46.19 42.81 2k2q s LEU 65 CO -0.09 0.08 0.72 1.17 0.02 0.00 0.00 176.35 178.25 2k2q n LYS 66 N 1.74 -2.65 0.00 1.70 3.00 -1.26 -4.92 118.16 115.77 2k2q n LYS 66 Ca -0.01 0.66 0.00 0.00 -0.00 0.00 0.00 58.31 58.96 2k2q n LYS 66 Cb 0.47 -4.88 0.00 0.00 0.00 0.00 0.00 35.03 30.63 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 -2.98 0.00 0.13 3.15 3.14 -1.26 -4.81 118.33 115.71 2k2q n VAL 67 Ca -0.10 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.28 2k2q n VAL 67 Cb 0.60 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.38 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 -0.31 -0.92 -1.59 6.55 7.94 -1.26 -4.90 117.00 122.51 2k2q n LEU 68 Ca 0.00 0.46 -0.02 0.00 -1.11 0.00 0.00 56.01 55.34 2k2q n LEU 68 Cb 0.00 1.02 -0.03 0.00 0.53 0.00 0.00 43.42 44.94 2k2q n LEU 68 CO 0.00 -0.51 1.08 0.49 -1.11 0.00 0.00 177.39 177.34 2k2q n PHE 69 N -3.23 0.00 0.00 1.96 3.72 -1.26 -3.07 117.46 115.57 2k2q n PHE 69 Ca 0.00 -1.06 0.00 0.00 -0.05 0.00 0.00 57.45 56.34 2k2q n PHE 69 Cb 0.00 -0.67 0.00 0.00 -0.94 0.00 0.00 39.48 37.87 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 1.67 1.40 -3.77 4.37 0.00 -1.26 -4.86 120.51 118.05 2k2q n ALA 70 Ca 0.07 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.28 2k2q n ALA 70 Cb 0.56 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.83 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 -1.15 0.71 0.39 0.00 -1.52 -1.17 -5.00 119.66 111.92 2k2q s GLN 71 Ca 0.00 0.06 0.26 0.00 -1.95 0.00 0.00 55.36 53.72 2k2q s GLN 71 Cb 0.00 -1.01 0.68 0.00 -0.22 0.00 0.00 33.01 32.45 2k2q s GLN 71 CO 0.00 -0.28 1.72 -1.00 -0.25 0.00 0.00 175.29 175.48 2k2q h PRO 72 N 8.20 0.00 -3.38 2.91 0.13 -1.95 -3.37 132.00 134.53 2k2q h PRO 72 Ca -0.22 0.00 -0.73 0.00 -0.87 0.00 0.00 66.00 64.17 2k2q h PRO 72 Cb 1.13 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 31.93 2k2q h PRO 72 CO 0.29 0.00 0.07 0.99 -0.23 0.00 0.00 178.00 179.13 2k2q s THR 73 N -3.27 4.86 0.38 1.56 2.01 -1.26 -4.88 115.64 115.04 2k2q s THR 73 Ca 0.07 -3.76 0.08 0.00 0.31 0.00 0.00 61.69 58.38 2k2q s THR 73 Cb 0.08 -3.97 0.18 0.00 0.01 0.00 0.00 72.50 68.79 2k2q s THR 73 CO 0.61 -1.12 1.94 0.40 -0.69 0.00 0.00 174.62 175.76 2k2q h ILE 74 N 3.92 1.16 0.00 1.82 2.04 -1.98 -2.00 117.51 122.47 2k2q h ILE 74 Ca 0.17 -0.66 -0.02 0.00 1.00 0.00 0.00 64.86 65.35 2k2q h ILE 74 Cb 0.83 1.03 -0.00 0.00 -0.74 0.00 0.00 36.82 37.94 2k2q h ILE 74 CO 0.91 0.22 -0.08 0.07 0.00 0.00 0.00 178.15 179.27 2k2q h LYS 75 N 0.33 0.00 0.00 2.37 5.09 -1.96 -0.74 116.57 121.65 2k2q h LYS 75 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.81 2k2q h LYS 75 Cb 0.28 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.61 2k2q h LYS 75 CO 0.01 0.08 0.00 0.00 -2.09 0.00 0.00 179.45 177.45 2k2q h ALA 76 N 1.92 1.00 0.10 0.07 0.00 -1.78 -2.72 119.26 117.86 2k2q h ALA 76 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.56 2k2q h ALA 76 Cb 0.22 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2k2q h ALA 76 CO 0.01 0.00 -1.89 -0.07 0.00 0.00 0.00 179.25 177.30 2k2q h LEU 77 N 0.00 0.34 -1.43 0.00 3.38 -1.23 -3.36 115.31 113.01 2k2q h LEU 77 Ca 0.00 -0.73 -0.06 0.00 0.09 0.00 0.00 57.88 57.18 2k2q h LEU 77 Cb 0.77 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 2k2q h LEU 77 CO 0.00 1.65 -0.29 0.00 0.09 0.00 0.00 178.44 179.89 2k2q h ALA 78 N 0.30 1.43 -0.18 1.53 0.00 -1.36 -0.01 119.26 120.97 2k2q h ALA 78 Ca -0.38 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.27 2k2q h ALA 78 Cb 2.04 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.78 2k2q h ALA 78 CO 0.10 0.36 0.00 0.00 0.00 0.00 0.00 179.25 179.71 2k2q n GLN 79 N -4.05 1.57 0.07 0.00 10.64 -1.03 -4.13 117.38 120.45 2k2q n GLN 79 Ca -0.02 -0.71 0.00 0.00 -1.83 0.00 0.00 57.00 54.44 2k2q n GLN 79 Cb 0.35 -1.28 0.00 0.00 -0.86 0.00 0.00 30.24 28.44 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 0.08 -0.79 -3.93 2.61 4.01 -0.65 -5.05 117.16 113.43 2k2q n TYR 80 Ca 0.06 0.14 -0.29 0.00 -0.16 0.00 0.00 57.90 57.65 2k2q n TYR 80 Cb 0.24 0.20 -0.16 0.00 -0.31 0.00 0.00 39.34 39.31 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 -2.00 1.35 -2.03 -0.72 1.01 -0.11 -5.13 120.40 112.77 2k2q s VAL 81 Ca 0.00 -0.83 0.32 0.00 0.00 0.00 0.00 61.98 61.47 2k2q s VAL 81 Cb 0.00 -1.50 0.89 0.00 0.00 0.00 0.00 36.38 35.77 2k2q s VAL 81 CO 0.00 0.12 2.20 0.00 0.00 0.00 0.00 175.10 177.42