#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 0.36 0.44 -5.12 0.00 -1.26 -4.07 105.19 95.53 2k2q n GLY 2 Ca 0.00 -0.32 0.12 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.24 0.00 -2.29 1.61 0.24 -1.26 -4.71 118.33 108.67 2k2q n VAL 3 Ca -0.01 -0.23 -0.38 0.00 -2.04 0.00 0.00 64.34 61.68 2k2q n VAL 3 Cb 0.53 0.88 -0.02 0.00 -1.47 0.00 0.00 33.84 33.76 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 -2.41 3.15 -0.32 3.34 -4.23 -1.26 -4.73 115.64 109.18 2k2q s THR 4 Ca 0.23 0.91 -0.34 0.00 -1.18 0.00 0.00 61.69 61.31 2k2q s THR 4 Cb 0.19 -3.49 -0.10 0.00 1.34 0.00 0.00 72.50 70.44 2k2q s THR 4 CO 0.51 0.04 2.18 -0.62 -0.54 0.00 0.00 174.62 176.19 2k2q n GLU 5 N -0.20 1.25 -2.31 3.99 4.71 -1.24 -4.65 120.64 122.18 2k2q n GLU 5 Ca 0.06 0.35 -0.38 0.00 -0.01 0.00 0.00 57.16 57.17 2k2q n GLU 5 Cb 0.47 -2.59 -0.02 0.00 -1.01 0.00 0.00 31.44 28.30 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 7.34 3.12 -0.70 0.62 0.00 0.15 -4.94 121.76 127.36 2k2q s ALA 6 Ca 1.08 0.94 0.25 0.00 0.00 0.00 0.00 51.96 54.22 2k2q s ALA 6 Cb -0.77 -3.37 0.56 0.00 0.00 0.00 0.00 23.12 19.54 2k2q s ALA 6 CO 0.47 -0.52 1.53 1.04 0.00 0.00 0.00 175.76 178.28 2k2q n GLN 7 N -0.02 0.27 -3.94 0.00 1.13 -1.26 -4.55 117.38 109.00 2k2q n GLN 7 Ca 0.05 0.14 -0.32 0.00 -1.94 0.00 0.00 57.00 54.92 2k2q n GLN 7 Cb 0.47 -1.73 -0.14 0.00 0.11 0.00 0.00 30.24 28.95 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 -3.13 3.66 -0.03 1.08 5.04 -1.26 -4.87 117.35 117.84 2k2q s TYR 8 Ca 0.08 -2.86 0.02 0.00 -2.44 0.00 0.00 57.07 51.87 2k2q s TYR 8 Cb 0.13 -3.01 0.03 0.00 0.35 0.00 0.00 41.96 39.46 2k2q s TYR 8 CO 0.66 -0.93 1.02 1.55 -1.34 0.00 0.00 175.55 176.51 2k2q n VAL 9 N 4.22 1.07 -2.27 3.14 3.14 -1.26 -3.07 118.33 123.29 2k2q n VAL 9 Ca 0.03 -1.10 -0.43 0.00 -2.96 0.00 0.00 64.34 59.88 2k2q n VAL 9 Cb 0.41 0.44 -0.02 0.00 -1.06 0.00 0.00 33.84 33.61 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 -1.14 3.65 1.00 1.55 0.00 -1.26 -4.81 121.76 120.74 2k2q s ALA 10 Ca 0.03 0.63 0.00 0.00 0.00 0.00 0.00 51.96 52.62 2k2q s ALA 10 Cb 0.02 -3.67 0.00 0.00 0.00 0.00 0.00 23.12 19.48 2k2q s ALA 10 CO 0.01 -1.26 0.00 -2.30 0.00 0.00 0.00 175.76 172.21 2k2q n PRO 11 N 6.81 0.37 -0.09 0.00 -0.02 -1.26 -4.84 135.00 135.97 2k2q n PRO 11 Ca 0.15 0.00 -0.18 0.00 -2.02 0.00 0.00 63.50 61.45 2k2q n PRO 11 Cb 0.44 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 33.85 2k2q n PRO 11 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 2k2q n THR 12 N -1.10 0.99 -3.07 3.45 -1.04 -1.26 -5.09 114.28 107.16 2k2q n THR 12 Ca 0.00 -0.28 0.00 0.00 -2.04 0.00 0.00 64.05 61.73 2k2q n THR 12 Cb 0.00 -1.60 0.00 0.00 -1.82 0.00 0.00 70.33 66.91 2k2q n THR 12 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 2k2q n ASN 13 N -3.63 0.64 -1.08 8.00 2.85 -1.26 -5.04 115.26 115.74 2k2q n ASN 13 Ca -0.35 -0.07 0.12 0.00 -0.11 0.00 0.00 54.58 54.17 2k2q n ASN 13 Cb 0.77 0.00 0.17 0.00 1.24 0.00 0.00 39.78 41.96 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 2.43 -0.03 5.20 0.00 -1.26 -4.34 120.51 119.51 2k2q n ALA 14 Ca 0.00 -0.88 -0.14 0.00 0.00 0.00 0.00 53.44 52.42 2k2q n ALA 14 Cb 0.00 -0.84 -0.11 0.00 0.00 0.00 0.00 19.45 18.50 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 4.55 1.51 -0.80 0.00 2.07 -1.96 -3.01 116.25 118.62 2k2q h VAL 15 Ca 0.00 -1.65 0.00 0.00 0.82 0.00 0.00 66.70 65.87 2k2q h VAL 15 Cb 0.99 2.56 -0.04 0.00 -1.52 0.00 0.00 31.29 33.28 2k2q h VAL 15 CO 0.00 0.44 0.50 -0.33 0.02 0.00 0.00 177.57 178.21 2k2q h GLU 16 N -0.53 1.07 0.00 1.57 3.07 -1.98 -0.29 114.58 117.49 2k2q h GLU 16 Ca -0.01 -0.08 0.00 0.00 -0.50 0.00 0.00 59.36 58.77 2k2q h GLU 16 Cb 0.77 -0.23 0.00 0.00 -0.84 0.00 0.00 28.75 28.45 2k2q h GLU 16 CO 0.02 0.73 0.00 -1.13 -1.40 0.00 0.00 179.01 177.23 2k2q n SER 17 N -4.39 0.00 -0.65 1.42 3.41 -1.22 -0.62 113.62 111.57 2k2q n SER 17 Ca 0.09 -0.71 0.06 0.00 -0.26 0.00 0.00 58.87 58.04 2k2q n SER 17 Cb 0.05 -0.02 0.11 0.00 -0.26 0.00 0.00 64.21 64.09 2k2q n SER 17 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2k2q n LYS 18 N -1.02 0.89 0.14 4.33 4.76 -0.15 -4.67 118.16 122.43 2k2q n LYS 18 Ca 0.18 -2.44 0.00 0.00 -2.87 0.00 0.00 58.31 53.18 2k2q n LYS 18 Cb 0.09 -1.04 0.00 0.00 -1.84 0.00 0.00 35.03 32.24 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 -0.65 -1.98 0.00 -0.35 7.94 -0.99 -4.90 117.00 116.07 2k2q n LEU 19 Ca 0.12 0.51 0.13 0.00 -1.11 0.00 0.00 56.01 55.66 2k2q n LEU 19 Cb 0.78 2.00 0.73 0.00 0.53 0.00 0.00 43.42 47.46 2k2q n LEU 19 CO -0.02 -0.19 0.93 0.00 -1.11 0.00 0.00 177.39 176.99 2k2q n ALA 20 N -3.13 2.40 0.07 1.96 0.00 0.21 -3.36 120.51 118.66 2k2q n ALA 20 Ca 0.00 -0.15 0.11 0.00 0.00 0.00 0.00 53.44 53.40 2k2q n ALA 20 Cb 0.00 -1.41 0.57 0.00 0.00 0.00 0.00 19.45 18.61 2k2q n ALA 20 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2k2q h GLU 21 N 0.00 0.21 0.00 0.00 4.11 -1.83 -0.54 114.58 116.53 2k2q h GLU 21 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.42 2k2q h GLU 21 Cb 0.04 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2k2q h GLU 21 CO 0.00 0.14 0.00 0.44 0.07 0.00 0.00 179.01 179.66 2k2q n ILE 22 N -4.48 0.00 0.01 -1.06 -5.35 -1.22 -3.18 119.36 104.08 2k2q n ILE 22 Ca 0.04 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.52 2k2q n ILE 22 Cb 0.26 -0.56 0.00 0.00 -1.74 0.00 0.00 39.64 37.60 2k2q n ILE 22 CO 0.00 0.00 0.00 0.79 -1.76 0.00 0.00 176.55 175.58 2k2q n TRP 23 N -0.95 -0.02 -0.24 4.28 5.03 -0.28 -4.46 117.44 120.79 2k2q n TRP 23 Ca 0.17 0.00 0.04 0.00 3.03 0.00 0.00 57.50 60.74 2k2q n TRP 23 Cb 0.08 0.03 0.27 0.00 -1.03 0.00 0.00 31.31 30.66 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 0.92 -0.45 -0.99 -0.00 -1.46 0.61 114.58 113.21 2k2q h GLU 24 Ca 0.00 -0.06 -0.22 0.00 -0.00 0.00 0.00 59.36 59.08 2k2q h GLU 24 Cb 0.84 -0.21 -0.13 0.00 -0.00 0.00 0.00 28.75 29.25 2k2q h GLU 24 CO 0.00 0.61 0.03 -2.13 -0.00 0.00 0.00 179.01 177.52 2k2q n ARG 25 N -4.47 1.96 0.13 1.06 0.63 -1.19 0.20 116.66 114.98 2k2q n ARG 25 Ca 0.11 -3.15 0.00 0.00 -0.92 0.00 0.00 57.85 53.89 2k2q n ARG 25 Cb 0.16 -1.87 0.00 0.00 0.45 0.00 0.00 32.46 31.19 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 -1.09 0.06 0.08 5.15 0.31 -0.84 -4.84 118.33 117.16 2k2q n VAL 26 Ca 0.37 0.02 0.06 0.00 -0.01 0.00 0.00 64.34 64.78 2k2q n VAL 26 Cb 1.13 -0.51 -0.02 0.00 -0.91 0.00 0.00 33.84 33.52 2k2q n VAL 26 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 2k2q h LEU 27 N 0.00 0.00 0.00 7.52 5.85 -1.14 -3.44 115.31 124.10 2k2q h LEU 27 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2k2q h LEU 27 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 2k2q h LEU 27 CO 0.00 0.29 0.00 0.61 -0.34 0.00 0.00 178.44 179.00 2k2q n GLY 28 N 1.27 -0.14 2.85 3.75 0.00 -0.66 -4.93 105.19 107.33 2k2q n GLY 28 Ca -0.04 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.31 0.00 1.22 1.61 0.31 0.13 -4.79 118.33 116.50 2k2q n VAL 29 Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 64.34 64.46 2k2q n VAL 29 Cb 0.00 -1.30 0.39 0.00 -0.91 0.00 0.00 33.84 32.03 2k2q n VAL 29 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2k2q n SER 30 N -1.08 0.84 -0.08 4.52 3.41 -1.26 -4.91 113.62 115.05 2k2q n SER 30 Ca -0.07 -0.71 0.00 0.00 -0.26 0.00 0.00 58.87 57.83 2k2q n SER 30 Cb 0.55 0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.61 2k2q n SER 30 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2k2q n GLY 31 N 1.36 1.10 3.93 5.00 0.00 -1.26 -3.65 105.19 111.67 2k2q n GLY 31 Ca 0.11 -0.43 -0.25 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.16 5.07 0.00 -0.61 -5.25 -1.26 0.33 121.20 117.32 2k2q s ILE 32 Ca 0.00 -0.26 0.00 0.00 -0.99 0.00 0.00 60.65 59.40 2k2q s ILE 32 Cb 0.00 -3.83 0.00 0.00 2.95 0.00 0.00 42.46 41.58 2k2q s ILE 32 CO 0.00 -0.53 0.00 0.61 -1.79 0.00 0.00 174.94 173.23 2k2q n GLY 33 N -1.61 3.85 3.55 6.27 0.00 -1.26 -4.90 105.19 111.09 2k2q n GLY 33 Ca -0.03 -0.29 -0.43 0.00 0.00 0.00 0.00 46.02 45.27 2k2q n GLY 33 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k2q s ILE 34 N -0.02 4.35 0.00 -0.61 -1.09 -1.18 -4.21 121.20 118.44 2k2q s ILE 34 Ca 0.00 -2.09 0.01 0.00 -2.23 0.00 0.00 60.65 56.34 2k2q s ILE 34 Cb 0.00 -5.13 0.02 0.00 -1.58 0.00 0.00 42.46 35.77 2k2q s ILE 34 CO 0.00 -1.93 0.76 0.18 -1.23 0.00 0.00 174.94 172.73 2k2q n LEU 35 N 7.71 -0.40 -1.43 2.97 4.77 -1.26 -4.90 117.00 124.46 2k2q n LEU 35 Ca 0.46 -1.47 0.00 0.00 -0.03 0.00 0.00 56.01 54.97 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 0.73 1.17 -0.28 -0.67 -1.33 0.00 0.00 177.39 177.01 2k2q n ASP 36 N 0.02 -6.06 -1.37 -1.43 2.03 -1.26 -5.06 116.55 103.42 2k2q n ASP 36 Ca -0.12 0.81 -0.02 0.00 0.52 0.00 0.00 54.79 55.99 2k2q n ASP 36 Cb 0.62 -3.37 0.00 0.00 -0.72 0.00 0.00 41.12 37.65 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 1.11 -0.43 0.00 1.67 6.94 -1.26 -4.74 115.26 118.55 2k2q n ASN 37 Ca 0.00 -1.33 0.05 0.00 -0.02 0.00 0.00 54.58 53.27 2k2q n ASN 37 Cb 0.00 0.72 0.44 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 1.20 0.49 0.08 -2.53 -0.00 -1.85 -1.83 116.94 112.50 2k2q h PHE 38 Ca -0.07 0.01 -0.26 0.00 -0.00 0.00 0.00 57.97 57.66 2k2q h PHE 38 Cb 0.25 -0.17 0.02 0.00 -0.00 0.00 0.00 35.95 36.06 2k2q h PHE 38 CO 0.00 0.30 -1.06 0.35 -0.00 0.00 0.00 178.31 177.90 2k2q h PHE 39 N 0.52 0.92 0.00 6.09 3.57 -1.96 -2.76 116.94 123.32 2k2q h PHE 39 Ca 0.16 -0.56 -0.00 0.00 3.53 0.00 0.00 57.97 61.10 2k2q h PHE 39 Cb -0.00 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 38.65 2k2q h PHE 39 CO -0.00 1.40 -0.02 1.96 -2.23 0.00 0.00 178.31 179.42 2k2q h GLN 40 N 0.18 0.00 -0.01 1.11 4.20 -1.86 -0.50 115.11 118.22 2k2q h GLN 40 Ca -0.16 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.55 2k2q h GLN 40 Cb 1.75 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.53 2k2q h GLN 40 CO 0.21 0.02 -0.43 1.51 -0.67 0.00 0.00 178.83 179.47 2k2q n ILE 41 N -3.14 0.00 -2.72 2.54 0.13 -0.72 -4.65 119.36 110.81 2k2q n ILE 41 Ca -0.00 -0.24 -0.07 0.00 -1.10 0.00 0.00 62.75 61.33 2k2q n ILE 41 Cb 0.26 1.11 0.09 0.00 -0.84 0.00 0.00 39.64 40.26 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 1.40 -0.14 2.77 4.50 0.00 -0.80 -5.04 105.19 107.89 2k2q n GLY 42 Ca 0.10 0.30 -0.42 0.00 0.00 0.00 0.00 46.02 46.00 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 0.75 5.05 0.12 -0.02 0.00 -0.26 -4.66 105.19 106.16 2k2q n GLY 43 Ca 0.04 -2.21 -0.06 0.00 0.00 0.00 0.00 46.02 43.78 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 5.29 0.17 -1.80 1.61 2.76 -1.96 -3.48 115.15 117.74 2k2q h HIS 44 Ca 0.45 -0.09 0.00 0.00 -2.20 0.00 0.00 60.37 58.53 2k2q h HIS 44 Cb 0.52 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.46 2k2q h HIS 44 CO 1.31 0.88 -0.41 0.43 -1.30 0.00 0.00 177.93 178.85 2k2q n SER 45 N -3.65 -5.15 -1.75 3.26 7.64 -1.26 -4.45 113.62 108.25 2k2q n SER 45 Ca -0.02 0.57 -0.16 0.00 1.01 0.00 0.00 58.87 60.27 2k2q n SER 45 Cb 0.77 -1.67 0.18 0.00 -1.01 0.00 0.00 64.21 62.48 2k2q n SER 45 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2k2q n LEU 46 N 0.01 5.57 0.00 -3.43 4.77 -1.26 -4.52 117.00 118.14 2k2q n LEU 46 Ca 0.00 -3.75 0.00 0.00 -0.03 0.00 0.00 56.01 52.23 2k2q n LEU 46 Cb 0.00 -0.75 0.00 0.00 -2.33 0.00 0.00 43.42 40.34 2k2q n LEU 46 CO 0.00 1.19 0.00 0.29 -1.33 0.00 0.00 177.39 177.54 2k2q n LYS 47 N -1.12 0.18 0.27 3.23 4.76 -1.26 -5.01 118.16 119.21 2k2q n LYS 47 Ca 0.48 0.00 0.18 0.00 -2.87 0.00 0.00 58.31 56.10 2k2q n LYS 47 Cb 1.33 0.00 0.96 0.00 -1.84 0.00 0.00 35.03 35.48 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 1.00 -0.54 7.82 0.00 -2.00 -1.61 119.26 124.93 2k2q h ALA 48 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.94 2k2q h ALA 48 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 2k2q h ALA 48 CO 0.00 0.00 0.36 1.98 0.00 0.00 0.00 179.25 181.59 2k2q h MET 49 N 0.00 0.63 -0.27 0.00 -1.53 -1.95 -0.41 114.93 111.40 2k2q h MET 49 Ca 0.00 -0.04 -0.14 0.00 -3.44 0.00 0.00 59.70 56.08 2k2q h MET 49 Cb 0.05 -0.14 -0.00 0.00 -0.55 0.00 0.00 31.60 30.96 2k2q h MET 49 CO 0.00 0.42 -0.38 0.00 0.14 0.00 0.00 176.91 177.08 2k2q h ALA 50 N 1.68 0.41 -0.75 0.39 0.00 -1.50 -3.09 119.26 116.40 2k2q h ALA 50 Ca 0.21 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 2k2q h ALA 50 Cb 0.05 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 2k2q h ALA 50 CO -0.05 0.50 0.47 0.28 0.00 0.00 0.00 179.25 180.45 2k2q h VAL 51 N 0.48 1.21 -0.62 0.00 2.07 -1.42 0.31 116.25 118.28 2k2q h VAL 51 Ca 0.03 -0.43 0.05 0.00 0.82 0.00 0.00 66.70 67.17 2k2q h VAL 51 Cb 0.97 0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 2k2q h VAL 51 CO 0.09 0.21 0.41 0.00 0.02 0.00 0.00 177.57 178.30 2k2q h ALA 52 N 1.25 1.72 0.01 1.67 0.00 -1.06 0.67 119.26 123.52 2k2q h ALA 52 Ca 0.27 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.97 2k2q h ALA 52 Cb -0.06 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 2k2q h ALA 52 CO -0.05 0.20 -1.02 0.00 0.00 0.00 0.00 179.25 178.38 2k2q h ALA 53 N 1.65 0.21 -0.69 0.00 0.00 -1.33 -3.15 119.26 115.95 2k2q h ALA 53 Ca 0.26 -1.06 0.03 0.00 0.00 0.00 0.00 54.91 54.14 2k2q h ALA 53 Cb 0.16 0.56 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 2k2q h ALA 53 CO -0.07 0.58 0.44 1.96 0.00 0.00 0.00 179.25 182.15 2k2q h GLN 54 N -0.92 0.84 -0.19 0.00 1.08 -0.33 0.13 115.11 115.72 2k2q h GLN 54 Ca -0.27 -0.05 -0.15 0.00 -1.45 0.00 0.00 58.65 56.73 2k2q h GLN 54 Cb 1.29 -0.19 0.00 0.00 -0.05 0.00 0.00 27.48 28.54 2k2q h GLN 54 CO -0.14 0.55 -0.46 0.28 -0.95 0.00 0.00 178.83 178.12 2k2q h VAL 55 N 0.86 1.33 -0.34 -0.54 2.07 -1.05 0.13 116.25 118.70 2k2q h VAL 55 Ca 0.27 -1.69 -0.17 0.00 0.82 0.00 0.00 66.70 65.93 2k2q h VAL 55 Cb -0.00 1.91 -0.00 0.00 -1.52 0.00 0.00 31.29 31.67 2k2q h VAL 55 CO -0.10 0.53 -0.44 0.45 0.02 0.00 0.00 177.57 178.03 2k2q h HIS 56 N 0.32 1.08 -0.02 1.57 3.86 -1.47 -2.76 115.15 117.73 2k2q h HIS 56 Ca -0.00 -0.34 0.00 0.00 -1.16 0.00 0.00 60.37 58.86 2k2q h HIS 56 Cb 1.07 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 29.32 2k2q h HIS 56 CO 0.09 1.16 0.00 -2.13 0.86 0.00 0.00 177.93 177.92 2k2q n ARG 57 N -4.04 1.34 -3.40 2.45 3.00 0.02 -4.95 116.66 111.08 2k2q n ARG 57 Ca -0.03 -0.50 -0.14 0.00 -0.00 0.00 0.00 57.85 57.18 2k2q n ARG 57 Cb 0.57 -1.46 0.01 0.00 0.00 0.00 0.00 32.46 31.59 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 -0.37 -1.42 -2.06 -0.14 2.13 -0.79 -4.51 120.64 113.48 2k2q n GLU 58 Ca 0.20 1.05 -0.03 0.00 0.66 0.00 0.00 57.16 59.04 2k2q n GLU 58 Cb 0.23 -4.45 -0.02 0.00 0.27 0.00 0.00 31.44 27.46 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 -2.56 -2.50 0.23 4.31 4.01 0.37 -4.91 117.16 116.10 2k2q n TYR 59 Ca -0.12 1.46 0.12 0.00 -0.16 0.00 0.00 57.90 59.21 2k2q n TYR 59 Cb 0.58 -2.86 0.37 0.00 -0.31 0.00 0.00 39.34 37.12 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 2.25 0.00 0.00 -0.72 4.20 -1.79 -3.47 115.11 115.58 2k2q h GLN 60 Ca -0.28 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.43 2k2q h GLN 60 Cb 0.64 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.42 2k2q h GLN 60 CO 0.00 0.10 0.00 0.28 -0.67 0.00 0.00 178.83 178.55 2k2q n VAL 61 N -3.16 0.00 0.06 -0.54 0.31 -1.26 -3.69 118.33 110.05 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 0.47 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.40 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 -3.04 5.55 -0.58 -1.26 -5.07 120.64 116.24 2k2q n GLU 62 Ca 0.00 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.32 2k2q n GLU 62 Cb 0.00 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 30.81 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 -5.71 4.19 -1.38 -4.62 1.43 -1.24 -4.96 118.68 106.38 2k2q s LEU 63 Ca 0.00 0.27 -0.08 0.00 -1.03 0.00 0.00 54.13 53.30 2k2q s LEU 63 Cb 0.00 -2.90 -0.00 0.00 0.03 0.00 0.00 46.19 43.32 2k2q s LEU 63 CO 0.00 -0.64 2.74 -0.81 0.23 0.00 0.00 176.35 177.86 2k2q n PRO 64 N 6.19 3.98 -1.92 1.29 -0.04 -1.26 -4.91 135.00 138.33 2k2q n PRO 64 Ca 0.01 -2.70 -0.42 0.00 -0.04 0.00 0.00 63.50 60.34 2k2q n PRO 64 Cb 0.48 -2.67 -0.03 0.00 -0.04 0.00 0.00 33.50 31.25 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 -0.93 4.35 -0.25 1.53 2.96 -1.26 -2.74 118.68 122.34 2k2q s LEU 65 Ca 0.63 2.36 -0.06 0.00 -0.22 0.00 0.00 54.13 56.84 2k2q s LEU 65 Cb 0.20 -3.54 0.01 0.00 0.50 0.00 0.00 46.19 43.36 2k2q s LEU 65 CO -0.08 -0.95 0.14 1.17 -1.32 0.00 0.00 176.35 175.31 2k2q n LYS 66 N 7.07 -2.24 0.00 1.98 4.81 -1.03 -4.95 118.16 123.80 2k2q n LYS 66 Ca 0.18 1.98 0.00 0.00 -0.87 0.00 0.00 58.31 59.59 2k2q n LYS 66 Cb 0.42 -3.81 0.00 0.00 0.02 0.00 0.00 35.03 31.67 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 0.66 0.00 0.00 3.15 3.14 -1.26 -5.05 118.33 118.98 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 -1.87 0.00 -0.02 6.55 7.94 -1.26 -4.88 117.00 123.45 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 0.11 -0.00 0.00 0.53 0.00 0.00 43.42 44.06 2k2q n LEU 68 CO 0.00 -0.11 -0.03 -0.26 -1.11 0.00 0.00 177.39 175.88 2k2q h PHE 69 N 0.00 0.00 -0.81 1.96 0.04 -1.92 -3.41 116.94 112.79 2k2q h PHE 69 Ca 0.00 0.00 -0.58 0.00 2.80 0.00 0.00 57.97 60.19 2k2q h PHE 69 Cb 0.00 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 38.08 2k2q h PHE 69 CO 0.00 0.00 1.83 0.00 -0.60 0.00 0.00 178.31 179.54 2k2q s ALA 70 N -2.85 2.87 0.00 2.45 0.00 -1.11 -4.72 121.76 118.41 2k2q s ALA 70 Ca -0.01 -2.62 0.00 0.00 0.00 0.00 0.00 51.96 49.33 2k2q s ALA 70 Cb 0.00 -4.63 0.00 0.00 0.00 0.00 0.00 23.12 18.49 2k2q s ALA 70 CO 0.02 -3.78 0.00 0.94 0.00 0.00 0.00 175.76 172.93 2k2q n GLN 71 N 8.46 0.00 0.24 0.00 0.00 -1.26 -2.46 117.38 122.35 2k2q n GLN 71 Ca 0.46 0.00 0.11 0.00 -0.00 0.00 0.00 57.00 57.56 2k2q n GLN 71 Cb 0.47 0.00 0.56 0.00 0.00 0.00 0.00 30.24 31.27 2k2q n GLN 71 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.06 176.06 2k2q h PRO 72 N 0.00 0.00 -2.91 3.69 0.13 -1.94 -3.33 132.00 127.64 2k2q h PRO 72 Ca 0.00 0.00 -0.74 0.00 -0.87 0.00 0.00 66.00 64.39 2k2q h PRO 72 Cb 0.00 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 30.80 2k2q h PRO 72 CO 0.00 0.20 0.23 2.41 -0.23 0.00 0.00 178.00 180.61 2k2q n THR 73 N -3.50 4.04 0.14 1.56 -1.04 -1.26 -4.85 114.28 109.38 2k2q n THR 73 Ca -0.01 -5.53 0.05 0.00 -2.04 0.00 0.00 64.05 56.53 2k2q n THR 73 Cb 0.36 -2.21 0.51 0.00 -1.82 0.00 0.00 70.33 67.17 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 3.53 1.08 0.00 12.58 5.03 -1.90 -1.82 117.51 136.01 2k2q h ILE 74 Ca 0.19 -0.24 -0.00 0.00 -0.12 0.00 0.00 64.86 64.68 2k2q h ILE 74 Cb 0.70 0.89 -0.00 0.00 -3.03 0.00 0.00 36.82 35.38 2k2q h ILE 74 CO 1.08 0.09 -0.02 0.07 -0.68 0.00 0.00 178.15 178.69 2k2q h LYS 75 N 0.23 0.00 0.00 2.37 5.09 -1.94 0.13 116.57 122.44 2k2q h LYS 75 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.80 2k2q h LYS 75 Cb 0.06 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.39 2k2q h LYS 75 CO -0.01 0.02 0.00 0.00 -2.09 0.00 0.00 179.45 177.37 2k2q n ALA 76 N -2.43 2.26 -0.09 0.07 0.00 -0.68 -3.36 120.51 116.27 2k2q n ALA 76 Ca -0.03 -0.05 -0.20 0.00 0.00 0.00 0.00 53.44 53.17 2k2q n ALA 76 Cb 0.10 -1.46 -0.12 0.00 0.00 0.00 0.00 19.45 17.97 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 -1.97 2.82 0.29 0.00 4.77 0.28 -4.30 117.00 118.88 2k2q n LEU 77 Ca 0.06 -0.01 0.16 0.00 -0.03 0.00 0.00 56.01 56.19 2k2q n LEU 77 Cb 0.38 -0.97 0.92 0.00 -2.33 0.00 0.00 43.42 41.42 2k2q n LEU 77 CO 0.28 0.89 1.13 0.00 -1.33 0.00 0.00 177.39 178.36 2k2q h ALA 78 N -0.03 1.54 -0.15 -1.18 0.00 -1.15 0.50 119.26 118.79 2k2q h ALA 78 Ca -0.54 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2k2q h ALA 78 Cb 1.92 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.71 2k2q h ALA 78 CO -0.06 -0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.15 2k2q n GLN 79 N -3.81 1.35 0.00 0.00 10.64 -1.21 -4.12 117.38 120.22 2k2q n GLN 79 Ca -0.02 -0.54 0.00 0.00 -1.83 0.00 0.00 57.00 54.61 2k2q n GLN 79 Cb 0.11 -1.13 0.00 0.00 -0.86 0.00 0.00 30.24 28.36 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 0.00 -2.73 2.61 4.01 0.10 -4.98 117.16 116.10 2k2q n TYR 80 Ca 0.06 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.37 2k2q n TYR 80 Cb 0.13 0.30 -0.01 0.00 -0.31 0.00 0.00 39.34 39.45 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 -1.69 4.39 -1.00 -0.72 1.01 0.15 -5.13 120.40 117.41 2k2q s VAL 81 Ca 0.00 -1.68 0.08 0.00 0.00 0.00 0.00 61.98 60.38 2k2q s VAL 81 Cb 0.00 -5.01 0.06 0.00 0.00 0.00 0.00 36.38 31.43 2k2q s VAL 81 CO 0.00 -1.81 0.75 0.00 0.00 0.00 0.00 175.10 174.05