#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 -0.95 0.03 -5.12 0.00 -1.26 -4.07 105.19 93.81 2k2q n GLY 2 Ca 0.00 0.28 0.02 0.00 0.00 0.00 0.00 46.02 46.32 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 -1.58 1.05 -2.40 1.61 0.24 -1.26 -4.62 118.33 111.36 2k2q n VAL 3 Ca -0.00 -1.12 -0.26 0.00 -2.04 0.00 0.00 64.34 60.92 2k2q n VAL 3 Cb 0.50 0.40 0.04 0.00 -1.47 0.00 0.00 33.84 33.31 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 3.44 -0.47 3.34 -4.23 -1.26 -4.84 115.64 110.37 2k2q s THR 4 Ca 0.06 -0.08 -0.28 0.00 -1.18 0.00 0.00 61.69 60.21 2k2q s THR 4 Cb 0.06 -3.37 -0.09 0.00 1.34 0.00 0.00 72.50 70.44 2k2q s THR 4 CO 0.01 -0.38 2.39 -0.62 -0.54 0.00 0.00 174.62 175.47 2k2q n GLU 5 N -2.60 1.13 -2.03 3.99 4.71 -1.19 -4.44 120.64 120.20 2k2q n GLU 5 Ca 0.05 0.14 -0.42 0.00 -0.01 0.00 0.00 57.16 56.91 2k2q n GLU 5 Cb 0.58 -3.11 -0.03 0.00 -1.01 0.00 0.00 31.44 27.87 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 10.62 3.64 -0.06 0.62 0.00 0.81 -4.86 121.76 132.53 2k2q s ALA 6 Ca 1.04 1.05 -0.00 0.00 0.00 0.00 0.00 51.96 54.04 2k2q s ALA 6 Cb -0.39 -3.68 0.05 0.00 0.00 0.00 0.00 23.12 19.10 2k2q s ALA 6 CO 0.33 -1.12 1.79 1.04 0.00 0.00 0.00 175.76 177.80 2k2q n GLN 7 N 5.88 1.15 -2.93 0.00 1.13 -1.26 -4.25 117.38 117.10 2k2q n GLN 7 Ca 0.15 -0.30 -0.09 0.00 -1.94 0.00 0.00 57.00 54.82 2k2q n GLN 7 Cb 0.42 -1.12 -0.02 0.00 0.11 0.00 0.00 30.24 29.63 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 -0.35 -1.01 -0.77 1.08 6.14 -1.26 -4.97 117.35 116.21 2k2q s TYR 8 Ca 0.06 -0.92 0.22 0.00 0.64 0.00 0.00 57.07 57.07 2k2q s TYR 8 Cb 0.05 0.04 -0.12 0.00 0.42 0.00 0.00 41.96 42.34 2k2q s TYR 8 CO 0.00 -1.17 0.91 1.55 0.64 0.00 0.00 175.55 177.48 2k2q n VAL 9 N 3.01 0.03 -2.45 3.14 3.14 -1.26 -0.73 118.33 123.22 2k2q n VAL 9 Ca 0.20 -0.13 -0.43 0.00 -2.96 0.00 0.00 64.34 61.03 2k2q n VAL 9 Cb 0.54 0.61 -0.02 0.00 -1.06 0.00 0.00 33.84 33.91 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 -3.12 3.65 0.75 1.55 0.00 -1.26 -4.72 121.76 118.61 2k2q s ALA 10 Ca 0.05 0.45 0.00 0.00 0.00 0.00 0.00 51.96 52.45 2k2q s ALA 10 Cb 0.15 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.67 2k2q s ALA 10 CO 0.85 -1.12 0.00 -0.35 0.00 0.00 0.00 175.76 175.13 2k2q n PRO 11 N 6.45 0.68 0.01 0.00 -0.04 -1.26 -4.77 135.00 136.07 2k2q n PRO 11 Ca 0.13 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.42 2k2q n PRO 11 Cb 0.45 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.77 2k2q n PRO 11 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 2k2q h THR 12 N -0.49 0.77 -4.03 0.52 2.02 -1.96 -3.48 112.91 106.26 2k2q h THR 12 Ca 0.00 -2.50 -0.16 0.00 0.77 0.00 0.00 66.41 64.52 2k2q h THR 12 Cb 0.00 2.54 -0.20 0.00 -1.74 0.00 0.00 68.15 68.75 2k2q h THR 12 CO 0.00 0.79 -0.70 0.21 0.37 0.00 0.00 175.52 176.19 2k2q s ASN 13 N -6.83 0.31 0.51 4.18 3.84 -1.26 -5.04 114.94 110.65 2k2q s ASN 13 Ca -0.16 -0.61 0.25 0.00 0.21 0.00 0.00 52.86 52.56 2k2q s ASN 13 Cb 0.07 0.12 1.37 0.00 -0.55 0.00 0.00 41.25 42.25 2k2q s ASN 13 CO 0.80 -0.36 2.05 0.00 -2.79 0.00 0.00 177.10 176.80 2k2q h ALA 14 N 4.32 1.32 -0.28 1.71 0.00 -2.02 -2.28 119.26 122.04 2k2q h ALA 14 Ca -0.33 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.42 2k2q h ALA 14 Cb 1.19 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 2k2q h ALA 14 CO 0.46 0.17 0.01 0.28 0.00 0.00 0.00 179.25 180.17 2k2q h VAL 15 N 0.00 1.17 0.00 0.00 2.07 -1.96 -1.62 116.25 115.90 2k2q h VAL 15 Ca -0.00 -0.64 -0.07 0.00 0.82 0.00 0.00 66.70 66.81 2k2q h VAL 15 Cb 0.35 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 2k2q h VAL 15 CO 0.02 0.22 -0.32 -0.08 0.02 0.00 0.00 177.57 177.42 2k2q h GLU 16 N 0.41 0.00 -0.33 1.57 4.22 -1.80 -2.73 114.58 115.92 2k2q h GLU 16 Ca 0.09 0.00 -0.07 0.00 0.08 0.00 0.00 59.36 59.46 2k2q h GLU 16 Cb 0.26 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 2k2q h GLU 16 CO 0.01 0.32 -0.08 0.77 -2.18 0.00 0.00 179.01 177.85 2k2q h SER 17 N 0.00 0.64 -0.14 1.04 0.02 -1.37 -2.13 113.55 111.60 2k2q h SER 17 Ca -0.00 -0.36 -0.10 0.00 -0.84 0.00 0.00 61.79 60.49 2k2q h SER 17 Cb 0.59 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.92 2k2q h SER 17 CO 0.04 0.85 0.13 1.17 -1.14 0.00 0.00 176.83 177.88 2k2q n LYS 18 N -4.44 1.24 0.06 3.45 0.00 -1.03 -2.44 118.16 115.01 2k2q n LYS 18 Ca -0.02 -0.47 0.00 0.00 0.00 0.00 0.00 58.31 57.81 2k2q n LYS 18 Cb 0.33 -1.19 0.00 0.00 0.00 0.00 0.00 35.03 34.18 2k2q n LYS 18 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2k2q n LEU 19 N 1.10 -0.49 -0.18 3.14 4.77 -1.11 -4.86 117.00 119.37 2k2q n LEU 19 Ca 0.09 0.23 0.15 0.00 -0.03 0.00 0.00 56.01 56.45 2k2q n LEU 19 Cb 0.53 0.61 0.78 0.00 -2.33 0.00 0.00 43.42 43.01 2k2q n LEU 19 CO 0.11 -0.49 1.01 0.00 -1.33 0.00 0.00 177.39 176.69 2k2q n ALA 20 N -2.85 2.65 -0.27 -1.18 0.00 -0.82 -3.92 120.51 114.11 2k2q n ALA 20 Ca 0.00 -0.29 0.07 0.00 0.00 0.00 0.00 53.44 53.22 2k2q n ALA 20 Cb 0.00 -1.38 0.31 0.00 0.00 0.00 0.00 19.45 18.38 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 0.90 0.84 -0.07 0.00 4.11 -1.72 -1.19 114.58 117.46 2k2q h GLU 21 Ca 0.00 -0.05 -0.02 0.00 0.07 0.00 0.00 59.36 59.36 2k2q h GLU 21 Cb 0.20 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 2k2q h GLU 21 CO 0.00 0.56 -0.05 0.82 0.07 0.00 0.00 179.01 180.40 2k2q h ILE 22 N 0.86 1.35 -0.33 -1.06 2.04 -1.88 -2.65 117.51 115.85 2k2q h ILE 22 Ca 0.40 -1.15 -0.02 0.00 1.00 0.00 0.00 64.86 65.10 2k2q h ILE 22 Cb 0.40 1.98 -0.01 0.00 -0.74 0.00 0.00 36.82 38.45 2k2q h ILE 22 CO -0.17 0.32 0.15 -0.50 0.00 0.00 0.00 178.15 177.94 2k2q h TRP 23 N -0.27 0.49 0.00 1.37 -0.00 -1.69 0.25 115.95 116.10 2k2q h TRP 23 Ca 0.01 -0.03 0.00 0.00 -0.00 0.00 0.00 58.89 58.87 2k2q h TRP 23 Cb 0.53 -0.15 0.00 0.00 -0.00 0.00 0.00 29.16 29.54 2k2q h TRP 23 CO 0.08 0.45 0.00 1.05 -0.00 0.00 0.00 178.44 180.02 2k2q h GLU 24 N 0.39 0.00 0.00 0.49 4.11 -1.32 0.55 114.58 118.80 2k2q h GLU 24 Ca 0.11 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.49 2k2q h GLU 24 Cb 0.15 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 2k2q h GLU 24 CO -0.01 0.00 -1.97 -2.13 0.07 0.00 0.00 179.01 174.97 2k2q n ARG 25 N -2.36 0.66 -0.04 1.06 0.63 -0.94 -0.57 116.66 115.10 2k2q n ARG 25 Ca 0.03 -0.16 -0.07 0.00 -0.92 0.00 0.00 57.85 56.74 2k2q n ARG 25 Cb 0.31 -1.48 -0.04 0.00 0.45 0.00 0.00 32.46 31.71 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 -2.27 0.50 -0.11 5.15 0.31 0.85 -4.75 118.33 118.01 2k2q n VAL 26 Ca -0.08 -0.18 -0.22 0.00 -0.01 0.00 0.00 64.34 63.85 2k2q n VAL 26 Cb 0.61 -0.90 -0.12 0.00 -0.91 0.00 0.00 33.84 32.52 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 -2.83 2.53 0.00 7.52 4.32 0.40 -4.87 117.00 124.07 2k2q n LEU 27 Ca -0.16 0.11 0.00 0.00 -0.02 0.00 0.00 56.01 55.94 2k2q n LEU 27 Cb 0.66 -0.93 0.00 0.00 -1.62 0.00 0.00 43.42 41.53 2k2q n LEU 27 CO 0.08 0.76 0.00 0.61 -1.22 0.00 0.00 177.39 177.62 2k2q n GLY 28 N 1.85 1.00 2.73 -0.72 0.00 0.16 -4.87 105.19 105.34 2k2q n GLY 28 Ca -0.45 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.49 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 0.72 1.61 0.31 0.27 -4.80 118.33 116.44 2k2q n VAL 29 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 64.34 64.45 2k2q n VAL 29 Cb 0.00 -1.28 0.18 0.00 -0.91 0.00 0.00 33.84 31.83 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 -0.92 3.11 0.00 4.52 3.41 -1.26 -4.92 113.62 117.57 2k2q n SER 30 Ca -0.08 -1.97 0.00 0.00 -0.26 0.00 0.00 58.87 56.56 2k2q n SER 30 Cb 0.51 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.34 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 1.41 0.43 3.81 5.00 0.00 -1.26 -3.19 105.19 111.40 2k2q n GLY 31 Ca 0.17 -1.00 -0.35 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.00 4.46 0.00 -0.61 -5.25 -1.26 -0.13 121.20 116.40 2k2q s ILE 32 Ca 0.00 1.40 0.00 0.00 -0.99 0.00 0.00 60.65 61.06 2k2q s ILE 32 Cb 0.00 -3.78 0.00 0.00 2.95 0.00 0.00 42.46 41.63 2k2q s ILE 32 CO 0.00 -0.02 0.00 0.61 -1.79 0.00 0.00 174.94 173.74 2k2q n GLY 33 N 0.11 4.21 3.18 6.27 0.00 -1.26 -4.90 105.19 112.80 2k2q n GLY 33 Ca 0.02 -0.53 -0.39 0.00 0.00 0.00 0.00 46.02 45.12 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 3.08 4.81 0.00 -0.61 -1.09 0.09 -4.65 121.20 122.84 2k2q s ILE 34 Ca 0.00 -3.64 0.00 0.00 -2.23 0.00 0.00 60.65 54.78 2k2q s ILE 34 Cb 0.00 -3.96 0.00 0.00 -1.58 0.00 0.00 42.46 36.92 2k2q s ILE 34 CO 0.00 -1.10 0.73 0.18 -1.23 0.00 0.00 174.94 173.53 2k2q n LEU 35 N 2.57 0.00 -1.49 2.97 4.77 -1.26 -4.87 117.00 119.69 2k2q n LEU 35 Ca 0.21 -0.91 0.00 0.00 -0.03 0.00 0.00 56.01 55.28 2k2q n LEU 35 Cb 0.38 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 2k2q n LEU 35 CO 0.39 0.53 -0.26 -0.67 -1.33 0.00 0.00 177.39 176.04 2k2q n ASP 36 N 0.00 -5.88 -0.65 -1.43 2.03 -1.26 -5.12 116.55 104.23 2k2q n ASP 36 Ca 0.00 0.84 0.00 0.00 0.52 0.00 0.00 54.79 56.15 2k2q n ASP 36 Cb 0.60 -3.23 0.00 0.00 -0.72 0.00 0.00 41.12 37.78 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 1.02 0.00 0.28 1.67 6.94 -1.26 -4.89 115.26 119.01 2k2q n ASN 37 Ca 0.00 -0.65 0.13 0.00 -0.02 0.00 0.00 54.58 54.04 2k2q n ASN 37 Cb 0.00 0.00 0.83 0.00 -2.36 0.00 0.00 39.78 38.25 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 0.65 0.00 0.00 -2.53 -0.00 -1.82 -1.42 116.94 111.82 2k2q h PHE 38 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.97 2k2q h PHE 38 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 35.95 2k2q h PHE 38 CO 0.00 0.02 -0.99 0.34 -0.00 0.00 0.00 178.31 177.68 2k2q n PHE 39 N -3.98 0.08 1.12 6.09 7.35 -1.26 -3.98 117.46 122.88 2k2q n PHE 39 Ca -0.03 0.02 0.12 0.00 -0.76 0.00 0.00 57.45 56.81 2k2q n PHE 39 Cb 0.11 -0.23 0.18 0.00 0.35 0.00 0.00 39.48 39.89 2k2q n PHE 39 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 2k2q n GLN 40 N -1.71 1.80 -0.10 -4.13 6.02 -0.59 -2.07 117.38 116.61 2k2q n GLN 40 Ca 0.03 -1.39 -0.10 0.00 -0.01 0.00 0.00 57.00 55.52 2k2q n GLN 40 Cb 0.38 -1.47 -0.16 0.00 1.02 0.00 0.00 30.24 30.01 2k2q n GLN 40 CO 0.00 0.00 0.00 1.51 -1.01 0.00 0.00 177.06 177.56 2k2q n ILE 41 N 0.62 1.39 -2.68 5.09 0.13 -0.90 -4.30 119.36 118.71 2k2q n ILE 41 Ca 0.14 -0.85 -0.03 0.00 -1.10 0.00 0.00 62.75 60.91 2k2q n ILE 41 Cb 0.50 -0.50 0.13 0.00 -0.84 0.00 0.00 39.64 38.93 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 1.77 1.89 3.57 4.50 0.00 -1.24 -4.82 105.19 110.86 2k2q n GLY 42 Ca -0.33 -0.16 -0.35 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.14 0.82 0.01 -0.02 0.00 -0.88 -4.68 107.32 101.43 2k2q s GLY 43 Ca 0.12 -2.21 0.27 0.00 0.00 0.00 0.00 44.72 42.90 2k2q s GLY 43 CO -0.12 3.11 1.72 -2.39 0.00 0.00 0.00 173.10 175.42 2k2q n HIS 44 N 11.38 0.05 -0.86 1.90 1.44 -1.26 -2.65 115.22 125.22 2k2q n HIS 44 Ca 0.42 0.02 0.11 0.00 -2.01 0.00 0.00 57.72 56.25 2k2q n HIS 44 Cb 0.48 -0.43 -0.05 0.00 0.12 0.00 0.00 29.99 30.11 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 -1.55 -4.95 -1.46 4.39 7.64 -1.26 -4.45 113.62 111.98 2k2q n SER 45 Ca 0.06 0.72 0.03 0.00 1.01 0.00 0.00 58.87 60.69 2k2q n SER 45 Cb 0.34 -2.85 0.07 0.00 -1.01 0.00 0.00 64.21 60.76 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 -3.50 1.69 0.00 -3.43 -0.00 -1.26 -4.82 117.00 105.67 2k2q n LEU 46 Ca -0.04 -2.73 0.00 0.00 -0.00 0.00 0.00 56.01 53.24 2k2q n LEU 46 Cb 0.40 -0.09 0.00 0.00 -0.00 0.00 0.00 43.42 43.73 2k2q n LEU 46 CO 0.02 0.87 0.00 0.29 -0.00 0.00 0.00 177.39 178.57 2k2q n LYS 47 N -0.09 0.00 -0.27 1.47 4.76 -1.26 -5.01 118.16 117.75 2k2q n LYS 47 Ca 0.11 0.00 0.29 0.00 -2.87 0.00 0.00 58.31 55.84 2k2q n LYS 47 Cb 0.99 0.00 0.67 0.00 -1.84 0.00 0.00 35.03 34.85 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 1.34 2.76 0.00 7.82 0.00 -2.00 0.25 119.26 129.44 2k2q h ALA 48 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2k2q h ALA 48 Cb 0.00 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 2k2q h ALA 48 CO 0.00 -1.09 -0.11 1.98 0.00 0.00 0.00 179.25 180.03 2k2q h MET 49 N 0.12 0.00 0.00 0.00 -1.53 -1.96 -1.76 114.93 109.80 2k2q h MET 49 Ca 0.52 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.78 2k2q h MET 49 Cb 1.83 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 32.88 2k2q h MET 49 CO -0.08 0.11 -0.14 0.00 0.14 0.00 0.00 176.91 176.94 2k2q h ALA 50 N 1.89 0.92 -0.04 0.39 0.00 -0.71 -3.33 119.26 118.38 2k2q h ALA 50 Ca -0.00 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.92 2k2q h ALA 50 Cb 0.35 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2k2q h ALA 50 CO 0.01 0.00 -0.05 0.28 0.00 0.00 0.00 179.25 179.50 2k2q h VAL 51 N 0.00 0.86 -0.84 0.00 2.07 -1.34 -0.61 116.25 116.38 2k2q h VAL 51 Ca 0.00 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.58 2k2q h VAL 51 Cb 0.90 0.86 -0.06 0.00 -1.52 0.00 0.00 31.29 31.47 2k2q h VAL 51 CO 0.00 0.00 0.52 0.00 0.02 0.00 0.00 177.57 178.11 2k2q h ALA 52 N 0.97 1.16 -0.57 1.67 0.00 -1.70 -1.78 119.26 119.00 2k2q h ALA 52 Ca 0.04 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 2k2q h ALA 52 Cb 0.12 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2k2q h ALA 52 CO -0.08 0.25 0.02 0.00 0.00 0.00 0.00 179.25 179.43 2k2q h ALA 53 N 1.40 0.77 -0.15 0.00 0.00 -1.63 -2.34 119.26 117.31 2k2q h ALA 53 Ca 0.37 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2k2q h ALA 53 Cb 0.18 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2k2q h ALA 53 CO -0.18 0.59 -0.03 1.96 0.00 0.00 0.00 179.25 181.59 2k2q h GLN 54 N 0.89 0.22 0.20 0.00 1.08 -0.36 -1.69 115.11 115.46 2k2q h GLN 54 Ca 0.16 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.32 2k2q h GLN 54 Cb 0.53 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.92 2k2q h GLN 54 CO 0.03 0.27 -0.10 0.28 -0.95 0.00 0.00 178.83 178.36 2k2q h VAL 55 N 0.22 0.00 -0.72 -0.54 2.07 -1.01 0.24 116.25 116.51 2k2q h VAL 55 Ca 0.05 -0.30 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 2k2q h VAL 55 Cb 0.20 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 29.94 2k2q h VAL 55 CO 0.01 0.00 0.44 0.45 0.02 0.00 0.00 177.57 178.49 2k2q h HIS 56 N -0.58 0.94 -0.08 1.57 3.86 -1.46 -2.03 115.15 117.38 2k2q h HIS 56 Ca -0.03 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 2k2q h HIS 56 Cb 0.21 -0.31 0.00 0.00 1.06 0.00 0.00 27.41 28.37 2k2q h HIS 56 CO 0.05 0.62 0.00 -2.13 0.86 0.00 0.00 177.93 177.33 2k2q n ARG 57 N -4.40 1.87 -3.42 2.45 3.00 -0.64 -4.97 116.66 110.56 2k2q n ARG 57 Ca 0.08 -1.28 -0.15 0.00 -0.00 0.00 0.00 57.85 56.50 2k2q n ARG 57 Cb 0.06 -1.46 0.01 0.00 0.00 0.00 0.00 32.46 31.08 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 0.53 -1.42 -1.89 -0.14 1.02 -0.76 -4.55 120.64 113.43 2k2q n GLU 58 Ca 0.17 1.02 -0.01 0.00 -0.02 0.00 0.00 57.16 58.32 2k2q n GLU 58 Cb 0.42 -4.44 -0.01 0.00 -0.02 0.00 0.00 31.44 27.39 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 -2.65 -2.73 0.15 -0.32 4.01 0.03 -4.91 117.16 110.73 2k2q n TYR 59 Ca -0.11 1.61 0.02 0.00 -0.16 0.00 0.00 57.90 59.26 2k2q n TYR 59 Cb 0.58 -3.02 0.19 0.00 -0.31 0.00 0.00 39.34 36.79 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 2.43 0.00 0.00 -0.72 4.20 -1.83 -3.47 115.11 115.71 2k2q h GLN 60 Ca -0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.61 2k2q h GLN 60 Cb 0.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.02 2k2q h GLN 60 CO 0.00 0.53 0.00 0.28 -0.67 0.00 0.00 178.83 178.98 2k2q n VAL 61 N -3.54 0.00 0.09 -0.54 0.31 -1.26 -3.57 118.33 109.83 2k2q n VAL 61 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2k2q n VAL 61 Cb 0.62 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.55 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 -3.65 5.55 -0.58 -1.26 -5.08 120.64 115.62 2k2q n GLU 62 Ca 0.00 0.00 -0.36 0.00 -0.42 0.00 0.00 57.16 56.38 2k2q n GLU 62 Cb 0.00 -0.20 -0.07 0.00 -0.57 0.00 0.00 31.44 30.60 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 -6.78 4.30 -1.38 -4.62 1.43 -1.23 -4.79 118.68 105.60 2k2q s LEU 63 Ca 0.00 0.50 -0.14 0.00 -1.03 0.00 0.00 54.13 53.46 2k2q s LEU 63 Cb 0.00 -2.27 0.07 0.00 0.03 0.00 0.00 46.19 44.02 2k2q s LEU 63 CO 0.00 0.22 2.01 -0.81 0.23 0.00 0.00 176.35 178.00 2k2q n PRO 64 N 2.96 3.07 -1.54 1.29 -0.04 -1.26 -4.80 135.00 134.68 2k2q n PRO 64 Ca -0.15 -2.96 -0.36 0.00 -0.04 0.00 0.00 63.50 59.99 2k2q n PRO 64 Cb 0.53 -3.28 -0.06 0.00 -0.04 0.00 0.00 33.50 30.65 2k2q n PRO 64 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2k2q n LEU 65 N 6.38 1.86 -3.63 1.53 7.94 -1.26 -3.40 117.00 126.42 2k2q n LEU 65 Ca 0.49 -0.44 -0.20 0.00 -1.11 0.00 0.00 56.01 54.75 2k2q n LEU 65 Cb 0.41 -1.45 0.00 0.00 0.53 0.00 0.00 43.42 42.90 2k2q n LEU 65 CO 0.84 -1.48 -0.11 1.17 -1.11 0.00 0.00 177.39 176.71 2k2q n LYS 66 N 8.86 -1.46 0.00 1.96 4.81 -1.26 -4.87 118.16 126.20 2k2q n LYS 66 Ca 0.43 0.90 0.00 0.00 -0.87 0.00 0.00 58.31 58.78 2k2q n LYS 66 Cb 0.44 -3.13 0.00 0.00 0.02 0.00 0.00 35.03 32.36 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 -2.53 0.00 0.00 3.15 3.14 -1.22 -5.04 118.33 115.83 2k2q n VAL 67 Ca -0.24 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.14 2k2q n VAL 67 Cb 0.65 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.43 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 -1.38 0.00 -3.64 6.55 7.94 -1.26 -4.82 117.00 120.39 2k2q n LEU 68 Ca 0.00 0.00 -0.41 0.00 -1.11 0.00 0.00 56.01 54.49 2k2q n LEU 68 Cb 0.00 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 43.94 2k2q n LEU 68 CO 0.00 0.00 2.65 0.49 -1.11 0.00 0.00 177.39 179.42 2k2q n PHE 69 N 0.00 3.02 -0.79 1.96 3.72 -1.09 -3.94 117.46 120.35 2k2q n PHE 69 Ca 0.00 -2.74 0.00 0.00 -0.05 0.00 0.00 57.45 54.67 2k2q n PHE 69 Cb 0.00 -2.36 0.00 0.00 -0.94 0.00 0.00 39.48 36.18 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 6.01 1.41 -3.61 4.37 0.00 -1.26 -2.37 120.51 125.05 2k2q n ALA 70 Ca 0.54 -0.76 -0.12 0.00 0.00 0.00 0.00 53.44 53.11 2k2q n ALA 70 Cb 0.37 -0.05 -0.07 0.00 0.00 0.00 0.00 19.45 19.69 2k2q n ALA 70 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2k2q s GLN 71 N -0.39 0.76 0.00 0.00 0.74 -1.25 -4.83 119.66 114.69 2k2q s GLN 71 Ca 0.01 1.04 0.00 0.00 0.05 0.00 0.00 55.36 56.46 2k2q s GLN 71 Cb 0.01 0.30 0.00 0.00 1.10 0.00 0.00 33.01 34.42 2k2q s GLN 71 CO 0.00 -0.11 1.34 -0.35 -0.55 0.00 0.00 175.29 175.62 2k2q n PRO 72 N 3.26 0.68 -2.94 1.67 -0.04 -1.26 -4.08 135.00 132.29 2k2q n PRO 72 Ca -0.16 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.18 2k2q n PRO 72 Cb 0.56 -1.16 -0.01 0.00 -0.04 0.00 0.00 33.50 32.85 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 1.64 -0.34 0.07 0.52 -1.04 -1.26 -4.82 114.28 109.05 2k2q n THR 73 Ca 0.00 -1.99 0.02 0.00 -2.04 0.00 0.00 64.05 60.03 2k2q n THR 73 Cb 0.34 0.22 0.37 0.00 -1.82 0.00 0.00 70.33 69.44 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 4.04 1.17 0.00 12.58 5.03 -1.92 -2.06 117.51 136.36 2k2q h ILE 74 Ca 0.05 -0.71 -0.01 0.00 -0.12 0.00 0.00 64.86 64.07 2k2q h ILE 74 Cb 1.02 1.06 -0.00 0.00 -3.03 0.00 0.00 36.82 35.87 2k2q h ILE 74 CO 0.22 0.23 -0.03 0.07 -0.68 0.00 0.00 178.15 177.97 2k2q h LYS 75 N 0.33 0.00 -0.00 2.37 5.09 -1.94 0.47 116.57 122.88 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 0.32 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.65 2k2q h LYS 75 CO 0.01 0.03 -0.06 0.00 -2.09 0.00 0.00 179.45 177.34 2k2q n ALA 76 N -2.14 2.70 0.00 0.07 0.00 -0.77 -4.01 120.51 116.36 2k2q n ALA 76 Ca -0.02 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.15 2k2q n ALA 76 Cb 0.18 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.27 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 -0.80 0.76 0.18 0.00 4.77 -0.21 -4.58 117.00 117.12 2k2q n LEU 77 Ca 0.17 0.00 0.17 0.00 -0.03 0.00 0.00 56.01 56.32 2k2q n LEU 77 Cb 0.25 0.00 0.79 0.00 -2.33 0.00 0.00 43.42 42.13 2k2q n LEU 77 CO 0.21 0.13 1.15 0.00 -1.33 0.00 0.00 177.39 177.55 2k2q h ALA 78 N 0.00 1.92 -0.00 -1.18 0.00 -0.29 0.13 119.26 119.85 2k2q h ALA 78 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2k2q h ALA 78 Cb 0.70 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 2k2q h ALA 78 CO 0.00 -0.34 -0.32 0.00 0.00 0.00 0.00 179.25 178.59 2k2q n GLN 79 N -3.92 1.48 0.01 0.00 10.64 -1.26 -4.34 117.38 119.99 2k2q n GLN 79 Ca 0.03 -3.05 0.00 0.00 -1.83 0.00 0.00 57.00 52.14 2k2q n GLN 79 Cb 0.36 -1.58 0.00 0.00 -0.86 0.00 0.00 30.24 28.16 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 -1.23 -0.15 -1.87 2.61 4.01 -0.25 -4.91 117.16 115.36 2k2q n TYR 80 Ca 0.18 0.03 -0.01 0.00 -0.16 0.00 0.00 57.90 57.93 2k2q n TYR 80 Cb 0.67 0.38 0.14 0.00 -0.31 0.00 0.00 39.34 40.22 2k2q n TYR 80 CO 0.00 0.00 0.00 1.33 -0.46 0.00 0.00 176.86 177.73 2k2q n VAL 81 N -2.69 1.96 -0.25 -0.72 0.24 0.31 -5.07 118.33 112.11 2k2q n VAL 81 Ca 0.00 -3.17 0.00 0.00 -2.04 0.00 0.00 64.34 59.13 2k2q n VAL 81 Cb 0.11 -0.21 0.00 0.00 -1.47 0.00 0.00 33.84 32.27 2k2q n VAL 81 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69