#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 -0.52 1.10 -5.12 0.00 -1.26 -4.53 105.19 94.86 2k2q n GLY 2 Ca 0.00 0.19 0.05 0.00 0.00 0.00 0.00 46.02 46.27 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 -4.68 2.42 -1.57 1.61 0.24 -1.26 -4.50 118.33 110.58 2k2q n VAL 3 Ca 0.00 -1.95 -0.14 0.00 -2.04 0.00 0.00 64.34 60.21 2k2q n VAL 3 Cb 0.55 -0.28 0.10 0.00 -1.47 0.00 0.00 33.84 32.74 2k2q n VAL 3 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2k2q n THR 4 N -0.50 0.00 -1.84 3.34 -2.24 -1.26 -4.90 114.28 106.88 2k2q n THR 4 Ca 0.25 -0.52 -0.42 0.00 -2.27 0.00 0.00 64.05 61.10 2k2q n THR 4 Cb 0.98 -1.68 -0.03 0.00 -2.10 0.00 0.00 70.33 67.50 2k2q n THR 4 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2k2q s GLU 5 N -4.34 3.04 0.07 -0.78 8.01 -1.24 -4.49 118.70 118.98 2k2q s GLU 5 Ca 0.36 1.50 -0.29 0.00 0.01 0.00 0.00 54.97 56.55 2k2q s GLU 5 Cb -0.01 -4.32 -0.05 0.00 -4.31 0.00 0.00 34.13 25.44 2k2q s GLU 5 CO 0.25 -2.20 0.93 0.00 0.01 0.00 0.00 175.26 174.25 2k2q s ALA 6 N 8.20 3.24 -0.18 5.21 0.00 0.35 -4.94 121.76 133.65 2k2q s ALA 6 Ca 0.86 0.51 -0.00 0.00 0.00 0.00 0.00 51.96 53.33 2k2q s ALA 6 Cb -0.24 -3.24 0.14 0.00 0.00 0.00 0.00 23.12 19.78 2k2q s ALA 6 CO 0.32 -0.06 1.88 1.04 0.00 0.00 0.00 175.76 178.94 2k2q n GLN 7 N 3.07 1.45 -2.78 0.00 1.13 -1.26 -4.13 117.38 114.86 2k2q n GLN 7 Ca 0.02 -0.91 -0.10 0.00 -1.94 0.00 0.00 57.00 54.08 2k2q n GLN 7 Cb 0.50 -1.36 0.05 0.00 0.11 0.00 0.00 30.24 29.54 2k2q n GLN 7 CO 0.00 0.00 0.00 0.98 -1.44 0.00 0.00 177.06 176.60 2k2q n TYR 8 N 0.69 -2.93 0.04 1.08 4.19 -1.26 -4.95 117.16 114.01 2k2q n TYR 8 Ca 0.17 -2.03 0.11 0.00 3.31 0.00 0.00 57.90 59.46 2k2q n TYR 8 Cb 0.59 1.42 -0.15 0.00 0.49 0.00 0.00 39.34 41.69 2k2q n TYR 8 CO 0.00 0.00 0.00 1.55 0.91 0.00 0.00 176.86 179.32 2k2q n VAL 9 N 1.20 0.06 -2.65 2.97 3.14 -1.26 -1.45 118.33 120.35 2k2q n VAL 9 Ca 0.09 -0.49 -0.43 0.00 -2.96 0.00 0.00 64.34 60.55 2k2q n VAL 9 Cb 0.65 -0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 33.40 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 -3.49 3.52 0.99 1.55 0.00 -1.26 -4.82 121.76 118.25 2k2q s ALA 10 Ca -0.07 -0.05 0.00 0.00 0.00 0.00 0.00 51.96 51.85 2k2q s ALA 10 Cb 0.14 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.61 2k2q s ALA 10 CO 0.90 -1.43 0.00 -0.35 0.00 0.00 0.00 175.76 174.88 2k2q n PRO 11 N 6.79 0.86 -0.08 0.00 -0.05 -1.26 -4.99 135.00 136.27 2k2q n PRO 11 Ca 0.12 0.00 -0.13 0.00 -0.05 0.00 0.00 63.50 63.44 2k2q n PRO 11 Cb 0.47 0.00 -0.06 0.00 -0.05 0.00 0.00 33.50 33.86 2k2q n PRO 11 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 175.50 175.70 2k2q n THR 12 N -0.32 0.86 -4.19 0.52 -2.24 -1.26 -5.03 114.28 102.62 2k2q n THR 12 Ca 0.00 -0.28 -0.26 0.00 -2.27 0.00 0.00 64.05 61.24 2k2q n THR 12 Cb 0.00 -1.31 -0.07 0.00 -2.10 0.00 0.00 70.33 66.85 2k2q n THR 12 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2k2q s ASN 13 N -5.85 4.92 0.25 3.42 3.84 -1.26 -5.03 114.94 115.23 2k2q s ASN 13 Ca -0.21 -0.37 -0.04 0.00 0.21 0.00 0.00 52.86 52.45 2k2q s ASN 13 Cb 0.07 -1.09 0.38 0.00 -0.55 0.00 0.00 41.25 40.06 2k2q s ASN 13 CO 0.32 0.07 1.84 0.00 -2.79 0.00 0.00 177.10 176.53 2k2q h ALA 14 N 2.49 1.22 -0.77 1.71 0.00 -2.00 -2.24 119.26 119.68 2k2q h ALA 14 Ca -0.47 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 2k2q h ALA 14 Cb 1.21 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 2k2q h ALA 14 CO 0.59 0.21 0.40 0.28 0.00 0.00 0.00 179.25 180.73 2k2q h VAL 15 N 0.92 1.23 0.00 0.00 2.07 -1.99 -1.59 116.25 116.89 2k2q h VAL 15 Ca 0.40 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 67.30 2k2q h VAL 15 Cb 0.27 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 2k2q h VAL 15 CO -0.21 0.27 0.00 -0.08 0.02 0.00 0.00 177.57 177.57 2k2q h GLU 16 N 1.09 0.00 0.00 1.57 4.22 -1.78 -2.84 114.58 116.84 2k2q h GLU 16 Ca 0.27 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.70 2k2q h GLU 16 Cb 0.07 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 2k2q h GLU 16 CO -0.04 0.00 -0.04 0.77 -2.18 0.00 0.00 179.01 177.52 2k2q h SER 17 N 0.00 0.00 1.03 1.04 0.02 -1.05 -2.68 113.55 111.91 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 0.49 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.03 2k2q h SER 17 CO 0.00 0.04 0.00 1.17 -1.14 0.00 0.00 176.83 176.90 2k2q n LYS 18 N -3.14 0.12 0.13 3.45 4.81 -1.07 -2.83 118.16 119.63 2k2q n LYS 18 Ca 0.01 0.18 0.01 0.00 -0.87 0.00 0.00 58.31 57.64 2k2q n LYS 18 Cb 0.37 -1.66 0.32 0.00 0.02 0.00 0.00 35.03 34.07 2k2q n LYS 18 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 2k2q h LEU 19 N 0.00 0.15 0.00 3.14 5.85 -1.66 -1.00 115.31 121.79 2k2q h LEU 19 Ca 0.00 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.67 2k2q h LEU 19 Cb 0.52 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.51 2k2q h LEU 19 CO 0.00 0.47 0.00 0.00 -0.34 0.00 0.00 178.44 178.57 2k2q n ALA 20 N -2.48 2.16 -0.10 1.25 0.00 -1.13 -2.41 120.51 117.81 2k2q n ALA 20 Ca -0.01 -0.10 -0.12 0.00 0.00 0.00 0.00 53.44 53.21 2k2q n ALA 20 Cb 0.39 -1.39 -0.04 0.00 0.00 0.00 0.00 19.45 18.42 2k2q n ALA 20 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2k2q n GLU 21 N -1.38 0.54 0.01 0.00 -0.58 -0.54 -2.57 120.64 116.11 2k2q n GLU 21 Ca 0.09 0.22 0.07 0.00 -0.42 0.00 0.00 57.16 57.11 2k2q n GLU 21 Cb 0.23 -1.43 0.47 0.00 -0.57 0.00 0.00 31.44 30.14 2k2q n GLU 21 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 2k2q h ILE 22 N -1.00 1.03 0.00 -3.67 2.04 -1.32 -2.62 117.51 111.98 2k2q h ILE 22 Ca -0.10 -0.15 -0.10 0.00 1.00 0.00 0.00 64.86 65.51 2k2q h ILE 22 Cb 1.08 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.69 2k2q h ILE 22 CO -0.06 0.08 -1.12 0.79 0.00 0.00 0.00 178.15 177.84 2k2q n TRP 23 N -4.48 0.00 0.12 1.37 5.03 -1.01 -4.45 117.44 114.02 2k2q n TRP 23 Ca 0.04 0.00 0.04 0.00 3.03 0.00 0.00 57.50 60.61 2k2q n TRP 23 Cb 0.15 -0.27 0.45 0.00 -1.03 0.00 0.00 31.31 30.62 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 -0.33 0.27 -0.55 -0.99 4.57 -1.61 0.20 114.58 116.14 2k2q h GLU 24 Ca -0.16 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.99 2k2q h GLU 24 Cb 0.92 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.46 2k2q h GLU 24 CO -0.09 0.29 0.00 0.54 -1.18 0.00 0.00 179.01 178.56 2k2q n ARG 25 N -4.39 2.49 0.02 1.92 3.00 -0.99 0.90 116.66 119.62 2k2q n ARG 25 Ca -0.00 -1.69 0.00 0.00 -0.01 0.00 0.00 57.85 56.15 2k2q n ARG 25 Cb 0.17 -1.56 0.00 0.00 0.00 0.00 0.00 32.46 31.07 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 0.64 0.09 0.00 1.55 0.31 -0.40 -4.93 118.33 115.60 2k2q n VAL 26 Ca 0.15 0.03 0.07 0.00 -0.01 0.00 0.00 64.34 64.59 2k2q n VAL 26 Cb 0.53 -0.51 -0.13 0.00 -0.91 0.00 0.00 33.84 32.82 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 -2.68 0.23 0.00 7.52 7.94 0.53 -4.75 117.00 125.79 2k2q n LEU 27 Ca 0.00 0.09 0.00 0.00 -1.11 0.00 0.00 56.01 54.99 2k2q n LEU 27 Cb 0.00 0.06 0.00 0.00 0.53 0.00 0.00 43.42 44.01 2k2q n LEU 27 CO 0.00 0.04 0.00 0.61 -1.11 0.00 0.00 177.39 176.94 2k2q n GLY 28 N 1.32 1.59 3.44 -3.96 0.00 -0.12 -4.91 105.19 102.55 2k2q n GLY 28 Ca -0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.15 -1.89 -0.37 1.61 0.31 0.26 -4.82 118.33 113.29 2k2q n VAL 29 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2k2q n VAL 29 Cb 0.00 -2.95 0.00 0.00 -0.91 0.00 0.00 33.84 29.98 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 -2.62 0.39 -1.12 4.52 7.64 -1.26 -5.02 113.62 116.15 2k2q n SER 30 Ca -0.03 -0.82 -0.05 0.00 1.01 0.00 0.00 58.87 58.99 2k2q n SER 30 Cb 0.57 0.12 0.02 0.00 -1.01 0.00 0.00 64.21 63.90 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 0.12 0.64 3.98 0.23 0.00 -1.26 -3.62 105.19 105.28 2k2q n GLY 31 Ca 0.00 -0.49 -0.23 0.00 0.00 0.00 0.00 46.02 45.30 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 -3.06 2.31 0.00 -0.61 -4.36 -1.26 -0.50 121.20 113.72 2k2q s ILE 32 Ca 0.11 -0.58 0.00 0.00 -0.26 0.00 0.00 60.65 59.91 2k2q s ILE 32 Cb -0.05 -2.72 0.00 0.00 1.25 0.00 0.00 42.46 40.94 2k2q s ILE 32 CO 0.14 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.93 2k2q n GLY 33 N -2.70 1.92 3.49 6.27 0.00 -1.26 -4.64 105.19 108.27 2k2q n GLY 33 Ca 0.12 -0.28 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 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 3.97 -2.02 -0.61 2.08 -0.53 -4.19 119.36 118.05 2k2q n ILE 34 Ca 0.00 -4.13 -0.01 0.00 0.56 0.00 0.00 62.75 59.17 2k2q n ILE 34 Cb 0.00 -2.39 -0.01 0.00 -0.75 0.00 0.00 39.64 36.49 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 7.73 -0.11 -1.37 1.39 4.77 -1.26 -4.86 117.00 123.29 2k2q n LEU 35 Ca 0.47 -1.19 0.00 0.00 -0.03 0.00 0.00 56.01 55.26 2k2q n LEU 35 Cb 0.45 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 2k2q n LEU 35 CO 0.76 0.92 -0.22 -0.67 -1.33 0.00 0.00 177.39 176.84 2k2q n ASP 36 N 0.02 -5.34 -0.97 -1.43 2.03 -1.26 -5.10 116.55 104.50 2k2q n ASP 36 Ca -0.04 0.72 0.00 0.00 0.52 0.00 0.00 54.79 55.99 2k2q n ASP 36 Cb 0.59 -2.92 0.00 0.00 -0.72 0.00 0.00 41.12 38.07 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 0.88 0.00 0.28 1.67 0.23 -1.20 -4.81 115.26 112.31 2k2q n ASN 37 Ca 0.00 -0.97 0.14 0.00 -0.53 0.00 0.00 54.58 53.21 2k2q n ASN 37 Cb 0.00 0.00 0.84 0.00 -2.08 0.00 0.00 39.78 38.54 2k2q n ASN 37 CO 0.00 0.00 0.00 2.19 -0.93 0.00 0.00 177.26 178.52 2k2q h PHE 38 N 0.97 0.00 0.04 -2.53 -0.00 -1.84 -2.85 116.94 110.72 2k2q h PHE 38 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 57.97 57.60 2k2q h PHE 38 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 35.95 35.90 2k2q h PHE 38 CO 0.00 0.00 -2.11 0.34 -0.00 0.00 0.00 178.31 176.54 2k2q n PHE 39 N -4.03 0.58 -2.11 6.09 7.35 -1.26 -4.64 117.46 119.44 2k2q n PHE 39 Ca -0.03 0.17 -0.38 0.00 -0.76 0.00 0.00 57.45 56.45 2k2q n PHE 39 Cb 0.11 -1.07 -0.03 0.00 0.35 0.00 0.00 39.48 38.84 2k2q n PHE 39 CO 0.00 0.00 0.00 0.94 -0.76 0.00 0.00 176.76 176.94 2k2q n GLN 40 N -3.78 2.45 0.00 -4.13 7.27 -1.08 -1.64 117.38 116.48 2k2q n GLN 40 Ca -0.41 -2.75 0.00 0.00 0.07 0.00 0.00 57.00 53.91 2k2q n GLN 40 Cb 0.92 -3.46 0.00 0.00 2.41 0.00 0.00 30.24 30.11 2k2q n GLN 40 CO 0.00 0.00 0.00 1.51 0.07 0.00 0.00 177.06 178.64 2k2q n ILE 41 N 6.56 0.00 -1.80 1.69 0.13 -1.26 -3.25 119.36 121.44 2k2q n ILE 41 Ca 0.48 0.00 -0.02 0.00 -1.10 0.00 0.00 62.75 62.11 2k2q n ILE 41 Cb 0.44 0.00 -0.02 0.00 -0.84 0.00 0.00 39.64 39.22 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 -0.83 0.52 3.61 4.50 0.00 -1.16 -5.09 105.19 106.74 2k2q n GLY 42 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.32 1.33 0.00 -0.02 0.00 -0.65 -4.85 107.32 102.80 2k2q s GLY 43 Ca 0.00 -0.29 0.23 0.00 0.00 0.00 0.00 44.72 44.65 2k2q s GLY 43 CO 0.00 2.45 1.39 -2.39 0.00 0.00 0.00 173.10 174.55 2k2q n HIS 44 N 7.76 0.50 -0.90 1.90 1.44 -1.26 -4.90 115.22 119.77 2k2q n HIS 44 Ca 0.13 -0.26 0.11 0.00 -2.01 0.00 0.00 57.72 55.69 2k2q n HIS 44 Cb 0.48 -0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.54 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 1.46 -5.17 -1.80 4.39 7.64 -1.26 -4.36 113.62 114.53 2k2q n SER 45 Ca 0.19 0.75 0.03 0.00 1.01 0.00 0.00 58.87 60.85 2k2q n SER 45 Cb 0.60 -2.98 0.02 0.00 -1.01 0.00 0.00 64.21 60.84 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 -3.56 1.03 0.00 -3.43 -0.00 -1.26 -4.72 117.00 105.06 2k2q n LEU 46 Ca -0.04 -2.24 0.00 0.00 -0.00 0.00 0.00 56.01 53.73 2k2q n LEU 46 Cb 0.42 0.11 0.00 0.00 -0.00 0.00 0.00 43.42 43.95 2k2q n LEU 46 CO 0.02 0.67 0.00 0.29 -0.00 0.00 0.00 177.39 178.37 2k2q n LYS 47 N 0.21 0.00 -0.20 1.47 4.76 -1.26 -4.96 118.16 118.18 2k2q n LYS 47 Ca 0.05 0.00 0.16 0.00 -2.87 0.00 0.00 58.31 55.64 2k2q n LYS 47 Cb 1.05 0.00 0.48 0.00 -1.84 0.00 0.00 35.03 34.72 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 1.08 2.08 -0.11 7.82 0.00 -2.00 0.13 119.26 128.27 2k2q h ALA 48 Ca 0.00 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 2k2q h ALA 48 Cb 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2k2q h ALA 48 CO 0.00 -0.31 -0.20 1.98 0.00 0.00 0.00 179.25 180.72 2k2q h MET 49 N 0.47 0.18 -0.19 0.00 -1.53 -1.96 -1.94 114.93 109.96 2k2q h MET 49 Ca 0.41 -0.05 -0.09 0.00 -3.44 0.00 0.00 59.70 56.53 2k2q h MET 49 Cb 0.90 -0.02 -0.00 0.00 -0.55 0.00 0.00 31.60 31.93 2k2q h MET 49 CO -0.15 0.38 -0.25 0.00 0.14 0.00 0.00 176.91 177.03 2k2q h ALA 50 N 1.63 0.28 -0.76 0.39 0.00 -0.95 -3.05 119.26 116.80 2k2q h ALA 50 Ca 0.03 -0.38 0.03 0.00 0.00 0.00 0.00 54.91 54.59 2k2q h ALA 50 Cb 0.46 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 2k2q h ALA 50 CO 0.03 0.26 0.50 0.28 0.00 0.00 0.00 179.25 180.32 2k2q h VAL 51 N 0.15 1.14 0.00 0.00 2.07 -1.14 0.42 116.25 118.89 2k2q h VAL 51 Ca 0.02 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 2k2q h VAL 51 Cb 0.82 0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 30.68 2k2q h VAL 51 CO 0.06 0.17 -0.05 0.00 0.02 0.00 0.00 177.57 177.77 2k2q h ALA 52 N 1.55 1.83 0.02 1.67 0.00 -1.25 -2.05 119.26 121.02 2k2q h ALA 52 Ca 0.30 -0.05 -0.39 0.00 0.00 0.00 0.00 54.91 54.78 2k2q h ALA 52 Cb 0.01 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.73 2k2q h ALA 52 CO -0.08 0.06 -2.40 0.00 0.00 0.00 0.00 179.25 176.83 2k2q n ALA 53 N -2.49 1.36 -0.37 0.00 0.00 -0.51 -3.94 120.51 114.55 2k2q n ALA 53 Ca -0.03 -1.04 0.02 0.00 0.00 0.00 0.00 53.44 52.39 2k2q n ALA 53 Cb 0.13 -0.19 0.16 0.00 0.00 0.00 0.00 19.45 19.55 2k2q n ALA 53 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2k2q h GLN 54 N 0.01 1.15 -0.24 0.00 1.08 -0.11 -0.28 115.11 116.73 2k2q h GLN 54 Ca -0.55 -0.07 0.00 0.00 -1.45 0.00 0.00 58.65 56.58 2k2q h GLN 54 Cb 1.93 -0.26 0.00 0.00 -0.05 0.00 0.00 27.48 29.10 2k2q h GLN 54 CO -0.06 0.76 0.00 0.28 -0.95 0.00 0.00 178.83 178.87 2k2q n VAL 55 N -4.49 0.31 0.21 -0.54 0.31 -0.78 -1.33 118.33 112.02 2k2q n VAL 55 Ca 0.15 -0.41 0.02 0.00 -0.01 0.00 0.00 64.34 64.09 2k2q n VAL 55 Cb 0.16 0.36 0.00 0.00 -0.91 0.00 0.00 33.84 33.45 2k2q n VAL 55 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08 2k2q n HIS 56 N 0.46 0.00 -1.93 3.52 -0.00 -0.22 -4.60 115.22 112.46 2k2q n HIS 56 Ca 0.15 0.00 0.01 0.00 0.46 0.00 0.00 57.72 58.35 2k2q n HIS 56 Cb 0.34 0.00 0.02 0.00 -0.12 0.00 0.00 29.99 30.23 2k2q n HIS 56 CO 0.00 0.00 0.00 -2.13 0.46 0.00 0.00 176.34 174.67 2k2q n ARG 57 N -0.25 0.15 -3.68 1.57 3.00 -0.58 -5.04 116.66 111.84 2k2q n ARG 57 Ca 0.02 -1.24 -0.28 0.00 -0.00 0.00 0.00 57.85 56.35 2k2q n ARG 57 Cb 0.10 -0.59 0.03 0.00 0.00 0.00 0.00 32.46 32.01 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 -0.13 -1.16 -2.23 -0.14 1.02 -1.17 -4.35 120.64 112.48 2k2q n GLU 58 Ca 0.02 0.60 -0.03 0.00 -0.02 0.00 0.00 57.16 57.73 2k2q n GLU 58 Cb 0.72 -3.75 -0.03 0.00 -0.02 0.00 0.00 31.44 28.37 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 -3.69 -3.52 0.13 -0.32 4.01 -0.44 -4.91 117.16 108.43 2k2q n TYR 59 Ca -0.13 2.06 -0.01 0.00 -0.16 0.00 0.00 57.90 59.67 2k2q n TYR 59 Cb 0.60 -3.37 0.14 0.00 -0.31 0.00 0.00 39.34 36.39 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 3.15 0.00 0.00 -0.72 4.20 -1.80 -3.47 115.11 116.47 2k2q h GLN 60 Ca -0.31 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.40 2k2q h GLN 60 Cb 0.69 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.47 2k2q h GLN 60 CO 0.01 0.63 0.00 0.28 -0.67 0.00 0.00 178.83 179.08 2k2q n VAL 61 N -3.59 0.00 0.02 -0.54 0.31 -1.26 -3.58 118.33 109.68 2k2q n VAL 61 Ca -0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 64.34 64.32 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 0.03 -5.03 5.55 -0.58 -1.26 -5.07 120.64 114.27 2k2q n GLU 62 Ca 0.00 0.01 -0.32 0.00 -0.42 0.00 0.00 57.16 56.43 2k2q n GLU 62 Cb 0.00 -0.32 -0.14 0.00 -0.57 0.00 0.00 31.44 30.41 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 -6.02 2.48 -0.03 -4.62 1.43 -1.23 -4.78 118.68 105.90 2k2q s LEU 63 Ca -0.01 -0.31 -0.24 0.00 -1.03 0.00 0.00 54.13 52.54 2k2q s LEU 63 Cb 0.00 -1.47 -0.04 0.00 0.03 0.00 0.00 46.19 44.70 2k2q s LEU 63 CO 0.02 0.33 0.72 -2.16 0.23 0.00 0.00 176.35 175.49 2k2q s PRO 64 N -0.73 4.44 -0.83 1.29 0.04 -1.26 -4.83 135.00 133.12 2k2q s PRO 64 Ca 0.11 0.94 -0.12 0.00 0.04 0.00 0.00 61.00 61.97 2k2q s PRO 64 Cb -0.10 -3.41 0.22 0.00 0.04 0.00 0.00 34.50 31.24 2k2q s PRO 64 CO 0.00 0.15 0.76 -1.17 0.04 0.00 0.00 177.00 176.78 2k2q s LEU 65 N 0.47 6.49 -0.11 -3.56 2.96 -1.26 -4.84 118.68 118.82 2k2q s LEU 65 Ca 0.38 -2.84 -0.08 0.00 -0.22 0.00 0.00 54.13 51.36 2k2q s LEU 65 Cb -0.19 -2.15 0.03 0.00 0.50 0.00 0.00 46.19 44.38 2k2q s LEU 65 CO 0.20 -0.50 0.16 1.17 -1.32 0.00 0.00 176.35 176.06 2k2q n LYS 66 N 3.72 -4.07 0.03 1.98 4.81 -1.26 -5.03 118.16 118.34 2k2q n LYS 66 Ca 0.14 3.11 0.00 0.00 -0.87 0.00 0.00 58.31 60.69 2k2q n LYS 66 Cb 0.45 -4.38 0.00 0.00 0.02 0.00 0.00 35.03 31.12 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 1.48 0.00 0.00 3.15 3.14 -1.26 -5.01 118.33 119.83 2k2q n VAL 67 Ca -0.28 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.10 2k2q n VAL 67 Cb 0.43 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.21 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 -4.50 6.55 7.94 -1.26 -4.53 117.00 118.69 2k2q n LEU 68 Ca 0.00 0.00 -0.43 0.00 -1.11 0.00 0.00 56.01 54.47 2k2q n LEU 68 Cb 0.00 0.09 0.00 0.00 0.53 0.00 0.00 43.42 44.04 2k2q n LEU 68 CO 0.00 -0.09 1.82 2.22 -1.11 0.00 0.00 177.39 180.24 2k2q n PHE 69 N -1.23 4.69 0.00 1.96 1.16 -1.26 -4.00 117.46 118.78 2k2q n PHE 69 Ca 0.00 -3.01 0.00 0.00 -1.87 0.00 0.00 57.45 52.57 2k2q n PHE 69 Cb 0.00 -2.48 0.00 0.00 -1.61 0.00 0.00 39.48 35.39 2k2q n PHE 69 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2k2q n ALA 70 N 7.34 0.10 -2.81 1.98 0.00 -1.26 -4.82 120.51 121.05 2k2q n ALA 70 Ca 0.45 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.57 2k2q n ALA 70 Cb 0.44 0.00 -0.06 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 -1.98 3.07 0.61 0.00 -0.21 -1.26 -5.00 119.66 114.89 2k2q s GLN 71 Ca 0.00 -0.55 0.38 0.00 0.02 0.00 0.00 55.36 55.21 2k2q s GLN 71 Cb 0.00 -2.85 1.99 0.00 1.00 0.00 0.00 33.01 33.16 2k2q s GLN 71 CO 0.00 0.61 2.24 -1.00 -2.12 0.00 0.00 175.29 175.02 2k2q h PRO 72 N 3.61 0.00 -3.23 2.91 0.13 -2.00 -3.27 132.00 130.14 2k2q h PRO 72 Ca -0.47 0.00 -0.78 0.00 -0.87 0.00 0.00 66.00 63.88 2k2q h PRO 72 Cb 1.17 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.10 2k2q h PRO 72 CO 0.66 0.02 1.59 2.41 -0.23 0.00 0.00 178.00 182.45 2k2q n THR 73 N -3.28 4.77 -0.00 1.56 -1.04 -1.26 -4.76 114.28 110.26 2k2q n THR 73 Ca -0.02 -4.97 0.01 0.00 -2.04 0.00 0.00 64.05 57.04 2k2q n THR 73 Cb 0.14 -2.23 0.34 0.00 -1.82 0.00 0.00 70.33 66.76 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 3.56 1.17 0.00 12.58 2.04 -1.85 -1.82 117.51 133.19 2k2q h ILE 74 Ca 0.34 -0.58 -0.00 0.00 1.00 0.00 0.00 64.86 65.62 2k2q h ILE 74 Cb 0.60 0.79 -0.00 0.00 -0.74 0.00 0.00 36.82 37.47 2k2q h ILE 74 CO 1.52 0.21 -0.00 0.07 0.00 0.00 0.00 178.15 179.94 2k2q h LYS 75 N 0.52 0.00 0.00 2.37 5.09 -1.93 0.78 116.57 123.40 2k2q h LYS 75 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.86 2k2q h LYS 75 Cb 0.19 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.52 2k2q h LYS 75 CO -0.01 0.00 -0.63 0.00 -2.09 0.00 0.00 179.45 176.73 2k2q n ALA 76 N -2.19 3.22 -0.10 0.07 0.00 -0.69 -4.01 120.51 116.80 2k2q n ALA 76 Ca -0.03 -0.31 -0.17 0.00 0.00 0.00 0.00 53.44 52.93 2k2q n ALA 76 Cb 0.08 -1.13 -0.13 0.00 0.00 0.00 0.00 19.45 18.28 2k2q n ALA 76 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2k2q n LEU 77 N -1.86 2.41 0.00 0.00 4.77 0.08 -3.84 117.00 118.56 2k2q n LEU 77 Ca 0.04 -0.05 0.05 0.00 -0.03 0.00 0.00 56.01 56.02 2k2q n LEU 77 Cb 0.40 -0.69 0.23 0.00 -2.33 0.00 0.00 43.42 41.03 2k2q n LEU 77 CO 0.36 0.84 0.65 0.00 -1.33 0.00 0.00 177.39 177.91 2k2q n ALA 78 N -3.12 1.51 -0.29 -1.18 0.00 -0.13 -0.91 120.51 116.39 2k2q n ALA 78 Ca -0.41 -0.04 0.03 0.00 0.00 0.00 0.00 53.44 53.02 2k2q n ALA 78 Cb 1.03 -1.17 0.05 0.00 0.00 0.00 0.00 19.45 19.36 2k2q n ALA 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k2q n GLN 79 N -1.44 2.58 0.10 0.00 10.64 -1.26 -4.68 117.38 123.32 2k2q n GLN 79 Ca 0.03 -1.82 0.00 0.00 -1.83 0.00 0.00 57.00 53.38 2k2q n GLN 79 Cb 0.11 -1.15 0.00 0.00 -0.86 0.00 0.00 30.24 28.33 2k2q n GLN 79 CO 0.00 0.00 0.00 0.98 -1.83 0.00 0.00 177.06 176.21 2k2q n TYR 80 N -0.67 -1.33 -2.26 2.61 9.36 -0.35 -4.90 117.16 119.63 2k2q n TYR 80 Ca 0.05 0.24 -0.40 0.00 3.32 0.00 0.00 57.90 61.10 2k2q n TYR 80 Cb 0.37 0.31 0.03 0.00 -0.63 0.00 0.00 39.34 39.42 2k2q n TYR 80 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 2k2q n VAL 81 N -3.48 4.76 -0.77 2.97 0.31 -0.09 -5.09 118.33 116.95 2k2q n VAL 81 Ca 0.00 -5.08 0.00 0.00 -0.01 0.00 0.00 64.34 59.25 2k2q n VAL 81 Cb 0.00 -1.38 0.00 0.00 -0.91 0.00 0.00 33.84 31.55 2k2q n VAL 81 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51