#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 0.02 0.40 -5.12 0.00 -1.26 -3.47 105.19 95.76 2k2q n GLY 2 Ca 0.00 -0.17 0.08 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.62 0.00 -1.25 1.61 0.24 -1.26 -4.57 118.33 110.48 2k2q n VAL 3 Ca -0.15 -0.36 -0.29 0.00 -2.04 0.00 0.00 64.34 61.50 2k2q n VAL 3 Cb 0.59 1.21 0.17 0.00 -1.47 0.00 0.00 33.84 34.33 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 -1.78 2.05 -0.47 3.34 -4.23 -1.26 -4.82 115.64 108.47 2k2q s THR 4 Ca 0.14 0.02 -0.27 0.00 -1.18 0.00 0.00 61.69 60.40 2k2q s THR 4 Cb 0.13 -2.57 -0.03 0.00 1.34 0.00 0.00 72.50 71.36 2k2q s THR 4 CO 0.36 -0.02 2.00 -1.61 -0.54 0.00 0.00 174.62 174.81 2k2q s GLU 5 N -5.04 2.74 0.03 3.99 8.01 -1.26 -4.53 118.70 122.64 2k2q s GLU 5 Ca 0.65 1.13 -0.30 0.00 0.01 0.00 0.00 54.97 56.46 2k2q s GLU 5 Cb -0.18 -4.38 -0.07 0.00 -4.31 0.00 0.00 34.13 25.20 2k2q s GLU 5 CO 0.57 -2.57 1.54 0.00 0.01 0.00 0.00 175.26 174.81 2k2q s ALA 6 N 9.14 3.64 -1.10 5.21 0.00 0.11 -4.86 121.76 133.90 2k2q s ALA 6 Ca 0.80 1.05 0.00 0.00 0.00 0.00 0.00 51.96 53.81 2k2q s ALA 6 Cb -0.18 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.29 2k2q s ALA 6 CO 0.27 -1.04 0.53 1.04 0.00 0.00 0.00 175.76 176.56 2k2q n GLN 7 N 5.59 0.98 -3.05 0.00 1.13 -1.26 -3.90 117.38 116.86 2k2q n GLN 7 Ca 0.15 0.00 -0.18 0.00 -1.94 0.00 0.00 57.00 55.03 2k2q n GLN 7 Cb 0.42 -1.44 -0.03 0.00 0.11 0.00 0.00 30.24 29.30 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 -0.04 -1.57 0.92 1.08 9.36 -1.26 -4.93 117.16 120.73 2k2q n TYR 8 Ca 0.00 -2.84 0.11 0.00 3.32 0.00 0.00 57.90 58.49 2k2q n TYR 8 Cb 0.22 0.42 -0.02 0.00 -0.63 0.00 0.00 39.34 39.33 2k2q n TYR 8 CO 0.00 0.00 0.00 1.55 0.22 0.00 0.00 176.86 178.63 2k2q n VAL 9 N 1.76 0.01 -1.99 2.97 3.14 -1.25 -2.27 118.33 120.69 2k2q n VAL 9 Ca 0.18 -0.04 -0.42 0.00 -2.96 0.00 0.00 64.34 61.10 2k2q n VAL 9 Cb 0.56 0.72 -0.03 0.00 -1.06 0.00 0.00 33.84 34.03 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 -3.04 3.66 1.02 1.55 0.00 -1.26 -4.67 121.76 119.03 2k2q s ALA 10 Ca 0.08 1.14 -0.13 0.00 0.00 0.00 0.00 51.96 53.04 2k2q s ALA 10 Cb 0.16 -3.67 0.20 0.00 0.00 0.00 0.00 23.12 19.81 2k2q s ALA 10 CO 0.83 -1.06 1.11 -1.25 0.00 0.00 0.00 175.76 175.39 2k2q s PRO 11 N 2.55 0.24 0.11 0.00 0.04 -1.26 -4.77 135.00 131.91 2k2q s PRO 11 Ca 0.72 0.36 0.14 0.00 0.04 0.00 0.00 61.00 62.25 2k2q s PRO 11 Cb -0.38 -1.73 -0.12 0.00 0.04 0.00 0.00 34.50 32.31 2k2q s PRO 11 CO 0.31 -2.82 1.04 1.15 0.04 0.00 0.00 177.00 176.72 2k2q h THR 12 N -1.95 0.90 -3.46 1.26 2.02 -1.94 -3.48 112.91 106.26 2k2q h THR 12 Ca -0.53 -2.47 -0.09 0.00 0.77 0.00 0.00 66.41 64.09 2k2q h THR 12 Cb 1.33 2.37 -0.16 0.00 -1.74 0.00 0.00 68.15 69.94 2k2q h THR 12 CO 0.55 0.51 -0.28 0.21 0.37 0.00 0.00 175.52 176.88 2k2q s ASN 13 N -6.19 -0.06 0.53 4.18 3.84 -1.26 -5.04 114.94 110.94 2k2q s ASN 13 Ca -0.01 -0.33 0.19 0.00 0.21 0.00 0.00 52.86 52.93 2k2q s ASN 13 Cb 0.09 0.35 1.33 0.00 -0.55 0.00 0.00 41.25 42.47 2k2q s ASN 13 CO 0.80 -0.65 2.13 0.00 -2.79 0.00 0.00 177.10 176.59 2k2q h ALA 14 N 3.09 2.06 -0.88 1.71 0.00 -1.99 -1.17 119.26 122.08 2k2q h ALA 14 Ca -0.32 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.61 2k2q h ALA 14 Cb 1.20 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.95 2k2q h ALA 14 CO 0.48 -0.13 0.58 0.28 0.00 0.00 0.00 179.25 180.46 2k2q h VAL 15 N 0.00 1.18 -0.08 0.00 2.07 -1.96 -0.07 116.25 117.39 2k2q h VAL 15 Ca 0.05 -0.39 -0.19 0.00 0.82 0.00 0.00 66.70 66.99 2k2q h VAL 15 Cb 0.20 -0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 29.91 2k2q h VAL 15 CO -0.00 0.21 -0.75 -0.33 0.02 0.00 0.00 177.57 176.72 2k2q h GLU 16 N 1.14 0.43 -0.69 1.57 4.39 -1.64 -3.14 114.58 116.63 2k2q h GLU 16 Ca 0.34 -0.36 -0.05 0.00 0.34 0.00 0.00 59.36 59.63 2k2q h GLU 16 Cb -0.05 0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.65 2k2q h GLU 16 CO -0.09 1.00 0.24 0.77 -1.16 0.00 0.00 179.01 179.77 2k2q h SER 17 N 0.29 0.99 -0.17 1.42 0.02 -0.99 0.18 113.55 115.30 2k2q h SER 17 Ca -0.04 -0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 60.71 2k2q h SER 17 Cb 1.34 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.61 2k2q h SER 17 CO 0.13 0.92 0.01 1.17 -1.14 0.00 0.00 176.83 177.93 2k2q n LYS 18 N -4.33 2.04 0.00 3.45 4.81 -0.13 -3.68 118.16 120.33 2k2q n LYS 18 Ca 0.05 -0.88 0.00 0.00 -0.87 0.00 0.00 58.31 56.61 2k2q n LYS 18 Cb 0.21 -1.69 0.00 0.00 0.02 0.00 0.00 35.03 33.57 2k2q n LYS 18 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 2k2q n LEU 19 N 0.17 1.13 0.00 3.14 7.94 -0.76 -4.75 117.00 123.87 2k2q n LEU 19 Ca 0.08 0.00 0.11 0.00 -1.11 0.00 0.00 56.01 55.09 2k2q n LEU 19 Cb 0.54 0.00 0.65 0.00 0.53 0.00 0.00 43.42 45.14 2k2q n LEU 19 CO 0.10 0.19 0.84 0.00 -1.11 0.00 0.00 177.39 177.41 2k2q n ALA 20 N -1.82 2.31 -0.11 1.96 0.00 -0.02 -3.45 120.51 119.39 2k2q n ALA 20 Ca 0.00 -0.14 0.05 0.00 0.00 0.00 0.00 53.44 53.35 2k2q n ALA 20 Cb 0.24 -1.36 0.37 0.00 0.00 0.00 0.00 19.45 18.71 2k2q n ALA 20 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2k2q h GLU 21 N 0.00 0.68 -0.31 0.00 4.39 -1.83 -0.84 114.58 116.67 2k2q h GLU 21 Ca 0.00 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.66 2k2q h GLU 21 Cb 0.01 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.50 2k2q h GLU 21 CO 0.00 0.45 0.00 0.44 -1.16 0.00 0.00 179.01 178.74 2k2q n ILE 22 N -4.46 0.41 -0.00 3.13 -5.35 -1.22 -3.96 119.36 107.90 2k2q n ILE 22 Ca 0.07 -0.50 -0.01 0.00 -0.27 0.00 0.00 62.75 62.04 2k2q n ILE 22 Cb 0.14 0.43 -0.00 0.00 -1.74 0.00 0.00 39.64 38.46 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 0.68 0.00 1.37 4.28 5.03 -0.37 -4.27 117.44 124.16 2k2q n TRP 23 Ca 0.16 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.69 2k2q n TRP 23 Cb 0.39 -0.06 0.00 0.00 -1.03 0.00 0.00 31.31 30.61 2k2q n TRP 23 CO 0.00 0.00 0.00 -1.91 -0.03 0.00 0.00 177.69 175.75 2k2q n GLU 24 N -2.85 0.80 0.00 -0.99 4.07 -0.93 -0.16 120.64 120.58 2k2q n GLU 24 Ca -0.02 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.08 2k2q n GLU 24 Cb 0.06 -1.12 0.00 0.00 -0.06 0.00 0.00 31.44 30.32 2k2q n GLU 24 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 2k2q n ARG 25 N -0.33 0.78 0.00 5.31 3.00 -1.25 -3.43 116.66 120.74 2k2q n ARG 25 Ca 0.00 -0.71 0.00 0.00 -0.01 0.00 0.00 57.85 57.13 2k2q n ARG 25 Cb 0.06 -0.70 0.00 0.00 0.00 0.00 0.00 32.46 31.82 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 -0.15 0.00 -0.02 1.55 0.31 -0.82 -4.99 118.33 114.22 2k2q n VAL 26 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.31 2k2q n VAL 26 Cb 0.34 -0.22 -0.01 0.00 -0.91 0.00 0.00 33.84 33.04 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 -1.98 0.45 0.00 7.52 7.94 0.77 -4.91 117.00 126.79 2k2q n LEU 27 Ca 0.00 0.22 0.00 0.00 -1.11 0.00 0.00 56.01 55.12 2k2q n LEU 27 Cb 0.00 -0.58 0.00 0.00 0.53 0.00 0.00 43.42 43.37 2k2q n LEU 27 CO 0.00 -0.47 0.04 0.61 -1.11 0.00 0.00 177.39 176.46 2k2q n GLY 28 N 1.61 0.48 2.79 -3.96 0.00 -1.01 -4.98 105.19 100.13 2k2q n GLY 28 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.26 -4.28 -0.21 1.61 0.31 -1.22 -4.93 118.33 109.36 2k2q n VAL 29 Ca 0.00 -0.35 0.00 0.00 -0.01 0.00 0.00 64.34 63.98 2k2q n VAL 29 Cb 0.00 -4.28 0.00 0.00 -0.91 0.00 0.00 33.84 28.65 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 -2.52 0.52 -0.27 4.52 7.64 -1.26 -5.00 113.62 117.24 2k2q n SER 30 Ca -0.20 -0.82 0.00 0.00 1.01 0.00 0.00 58.87 58.86 2k2q n SER 30 Cb 0.62 0.20 0.00 0.00 -1.01 0.00 0.00 64.21 64.02 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 0.20 0.92 3.71 0.23 0.00 -1.26 -4.06 105.19 104.92 2k2q n GLY 31 Ca 0.00 -0.55 -0.25 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.55 3.91 0.00 -0.61 -5.25 -1.26 0.08 121.20 115.53 2k2q s ILE 32 Ca 0.00 -1.47 0.00 0.00 -0.99 0.00 0.00 60.65 58.19 2k2q s ILE 32 Cb 0.00 -3.03 0.00 0.00 2.95 0.00 0.00 42.46 42.38 2k2q s ILE 32 CO 0.00 -0.21 0.00 0.61 -1.79 0.00 0.00 174.94 173.55 2k2q n GLY 33 N -0.51 3.09 3.17 6.27 0.00 -1.26 -4.87 105.19 111.08 2k2q n GLY 33 Ca -0.08 -0.06 -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 4.17 -1.06 -0.61 2.08 -0.96 -4.29 119.36 118.68 2k2q n ILE 34 Ca 0.00 -4.34 0.00 0.00 0.56 0.00 0.00 62.75 58.97 2k2q n ILE 34 Cb 0.00 -2.43 0.00 0.00 -0.75 0.00 0.00 39.64 36.46 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 5.33 0.00 -2.37 1.39 4.77 -1.26 -4.93 117.00 119.93 2k2q n LEU 35 Ca 0.41 -0.02 -0.03 0.00 -0.03 0.00 0.00 56.01 56.34 2k2q n LEU 35 Cb 0.40 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.47 2k2q n LEU 35 CO 0.75 0.03 -0.54 -0.67 -1.33 0.00 0.00 177.39 175.62 2k2q n ASP 36 N 0.00 -4.57 0.00 -1.43 2.03 -1.26 -5.10 116.55 106.22 2k2q n ASP 36 Ca 0.00 1.47 0.00 0.00 0.52 0.00 0.00 54.79 56.78 2k2q n ASP 36 Cb 0.42 -4.88 0.00 0.00 -0.72 0.00 0.00 41.12 35.93 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 1.62 0.00 0.30 1.67 6.94 -1.14 -4.94 115.26 119.71 2k2q n ASN 37 Ca -0.20 0.00 0.17 0.00 -0.02 0.00 0.00 54.58 54.53 2k2q n ASN 37 Cb 0.31 0.00 0.94 0.00 -2.36 0.00 0.00 39.78 38.67 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 0.00 0.00 0.00 -2.53 -0.00 -1.80 -3.12 116.94 109.49 2k2q h PHE 38 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 57.97 57.67 2k2q h PHE 38 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 35.95 35.91 2k2q h PHE 38 CO 0.00 0.04 -1.74 0.34 -0.00 0.00 0.00 178.31 176.95 2k2q n PHE 39 N -3.48 0.50 -2.51 6.09 7.35 -1.26 -4.64 117.46 119.51 2k2q n PHE 39 Ca -0.02 0.22 -0.43 0.00 -0.76 0.00 0.00 57.45 56.45 2k2q n PHE 39 Cb 0.14 -0.99 0.00 0.00 0.35 0.00 0.00 39.48 38.99 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 -4.37 3.17 0.00 -4.13 7.27 -1.18 -3.59 117.38 114.56 2k2q n GLN 40 Ca -0.39 -3.23 0.00 0.00 0.07 0.00 0.00 57.00 53.46 2k2q n GLN 40 Cb 0.73 -3.47 0.00 0.00 2.41 0.00 0.00 30.24 29.91 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 6.23 0.00 0.00 1.69 0.13 -1.25 -2.90 119.36 123.26 2k2q n ILE 41 Ca 0.49 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 62.14 2k2q n ILE 41 Cb 0.45 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 39.25 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 -0.80 3.23 0.00 4.50 0.00 -1.24 -4.48 105.19 106.40 2k2q n GLY 42 Ca 0.00 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.31 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 -0.40 -1.41 2.74 -0.02 0.00 -1.26 -5.03 105.19 99.80 2k2q n GLY 43 Ca 0.00 -1.03 -0.42 0.00 0.00 0.00 0.00 46.02 44.57 2k2q n GLY 43 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2k2q n HIS 44 N 0.21 2.89 -1.85 1.61 8.25 -1.26 -4.98 115.22 120.08 2k2q n HIS 44 Ca 0.00 -2.83 -0.41 0.00 -0.26 0.00 0.00 57.72 54.22 2k2q n HIS 44 Cb 0.00 -2.01 -0.01 0.00 1.12 0.00 0.00 29.99 29.09 2k2q n HIS 44 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2k2q s SER 45 N 1.06 6.42 -1.38 0.41 0.01 -1.26 -4.90 113.70 114.05 2k2q s SER 45 Ca 0.45 2.97 -0.09 0.00 1.31 0.00 0.00 55.95 60.58 2k2q s SER 45 Cb 0.12 -2.66 0.09 0.00 0.21 0.00 0.00 66.02 63.79 2k2q s SER 45 CO -0.03 -0.83 2.25 0.18 0.41 0.00 0.00 173.24 175.21 2k2q n LEU 46 N 0.97 7.40 -3.76 2.44 4.32 -1.26 -4.56 117.00 122.54 2k2q n LEU 46 Ca 0.03 -4.57 -0.10 0.00 -0.02 0.00 0.00 56.01 51.35 2k2q n LEU 46 Cb 0.39 -1.49 -0.04 0.00 -1.62 0.00 0.00 43.42 40.66 2k2q n LEU 46 CO 0.63 1.62 0.24 -0.54 -1.22 0.00 0.00 177.39 178.12 2k2q s LYS 47 N 0.78 1.36 0.56 3.23 -0.14 -1.26 -5.04 119.74 119.23 2k2q s LYS 47 Ca 0.49 -0.90 0.24 0.00 -1.36 0.00 0.00 55.97 54.44 2k2q s LYS 47 Cb 0.14 0.51 1.57 0.00 -1.68 0.00 0.00 37.83 38.37 2k2q s LYS 47 CO -0.05 -0.57 2.20 0.00 -0.76 0.00 0.00 175.35 176.17 2k2q h ALA 48 N 2.23 1.72 -0.83 5.17 0.00 -2.00 -2.27 119.26 123.28 2k2q h ALA 48 Ca -0.29 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.63 2k2q h ALA 48 Cb 1.26 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.00 2k2q h ALA 48 CO 0.38 0.01 0.55 1.98 0.00 0.00 0.00 179.25 182.17 2k2q h MET 49 N 0.00 1.08 -0.08 0.00 -1.53 -1.96 -0.89 114.93 111.55 2k2q h MET 49 Ca -0.00 -0.06 -0.15 0.00 -3.44 0.00 0.00 59.70 56.05 2k2q h MET 49 Cb 0.01 -0.24 -0.01 0.00 -0.55 0.00 0.00 31.60 30.81 2k2q h MET 49 CO 0.00 0.71 -0.60 0.00 0.14 0.00 0.00 176.91 177.16 2k2q h ALA 50 N 1.31 0.82 -0.44 0.39 0.00 -1.65 -2.90 119.26 116.79 2k2q h ALA 50 Ca 0.31 -0.54 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 2k2q h ALA 50 Cb -0.11 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2k2q h ALA 50 CO -0.07 0.73 -0.00 0.28 0.00 0.00 0.00 179.25 180.18 2k2q h VAL 51 N 0.21 1.23 -0.92 0.00 2.07 -1.29 0.43 116.25 117.99 2k2q h VAL 51 Ca -0.01 -0.94 0.00 0.00 0.82 0.00 0.00 66.70 66.57 2k2q h VAL 51 Cb 1.12 0.90 -0.05 0.00 -1.52 0.00 0.00 31.29 31.74 2k2q h VAL 51 CO 0.10 0.33 0.58 0.00 0.02 0.00 0.00 177.57 178.60 2k2q h ALA 52 N 1.33 1.17 -0.23 1.67 0.00 -0.98 -0.39 119.26 121.83 2k2q h ALA 52 Ca 0.13 -0.08 -0.17 0.00 0.00 0.00 0.00 54.91 54.79 2k2q h ALA 52 Cb 0.42 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2k2q h ALA 52 CO 0.02 0.60 -0.54 0.00 0.00 0.00 0.00 179.25 179.33 2k2q h ALA 53 N 1.32 0.37 -0.10 0.00 0.00 -1.32 -1.23 119.26 118.30 2k2q h ALA 53 Ca 0.33 -0.51 0.03 0.00 0.00 0.00 0.00 54.91 54.77 2k2q h ALA 53 Cb -0.10 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 2k2q h ALA 53 CO -0.07 0.58 -0.12 1.96 0.00 0.00 0.00 179.25 181.60 2k2q h GLN 54 N 0.50 -0.15 -0.37 0.00 1.08 -0.38 0.10 115.11 115.89 2k2q h GLN 54 Ca -0.00 0.01 -0.14 0.00 -1.45 0.00 0.00 58.65 57.06 2k2q h GLN 54 Cb 1.15 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 28.60 2k2q h GLN 54 CO 0.12 -0.10 -0.34 0.28 -0.95 0.00 0.00 178.83 177.84 2k2q h VAL 55 N -0.15 1.28 -0.59 -0.54 2.07 -1.12 0.27 116.25 117.46 2k2q h VAL 55 Ca 0.08 -1.51 -0.08 0.00 0.82 0.00 0.00 66.70 66.01 2k2q h VAL 55 Cb 0.26 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 2k2q h VAL 55 CO -0.19 0.50 0.06 -0.74 0.02 0.00 0.00 177.57 177.22 2k2q h HIS 56 N 0.71 1.05 -0.25 1.57 2.76 -0.82 -2.18 115.15 117.99 2k2q h HIS 56 Ca 0.07 -0.15 0.00 0.00 -2.20 0.00 0.00 60.37 58.09 2k2q h HIS 56 Cb 0.90 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 29.58 2k2q h HIS 56 CO 0.05 0.91 0.00 -2.13 -1.30 0.00 0.00 177.93 175.46 2k2q n ARG 57 N -4.21 1.64 -3.48 5.26 3.00 0.32 -4.91 116.66 114.28 2k2q n ARG 57 Ca 0.04 -0.99 -0.18 0.00 -0.00 0.00 0.00 57.85 56.71 2k2q n ARG 57 Cb 0.30 -1.26 0.07 0.00 0.00 0.00 0.00 32.46 31.57 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 0.28 -5.09 -1.95 -0.14 1.02 -0.82 -4.42 120.64 109.53 2k2q n GLU 58 Ca 0.11 0.78 -0.02 0.00 -0.02 0.00 0.00 57.16 58.01 2k2q n GLU 58 Cb 0.25 -5.60 -0.02 0.00 -0.02 0.00 0.00 31.44 26.05 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 -3.99 -1.80 0.03 -0.32 4.01 0.94 -4.95 117.16 111.07 2k2q n TYR 59 Ca -0.24 1.01 -0.09 0.00 -0.16 0.00 0.00 57.90 58.42 2k2q n TYR 59 Cb 0.66 -2.50 0.05 0.00 -0.31 0.00 0.00 39.34 37.24 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 1.59 0.47 0.00 -0.72 4.20 -1.77 -3.47 115.11 115.41 2k2q h GLN 60 Ca -0.20 -0.33 0.00 0.00 0.06 0.00 0.00 58.65 58.18 2k2q h GLN 60 Cb 0.45 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.28 2k2q h GLN 60 CO 0.01 0.95 0.00 0.28 -0.67 0.00 0.00 178.83 179.40 2k2q n VAL 61 N -3.90 0.00 0.08 -0.54 0.31 -1.26 -3.34 118.33 109.68 2k2q n VAL 61 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 2k2q n VAL 61 Cb 0.65 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.58 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 -3.30 5.55 -0.58 -1.26 -5.04 120.64 116.01 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 -0.29 -0.08 0.00 -0.57 0.00 0.00 31.44 30.50 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 -6.89 4.36 -0.32 -4.62 1.43 -1.21 -4.96 118.68 106.47 2k2q s LEU 63 Ca 0.00 -0.07 -0.04 0.00 -1.03 0.00 0.00 54.13 53.00 2k2q s LEU 63 Cb 0.00 -2.50 0.01 0.00 0.03 0.00 0.00 46.19 43.73 2k2q s LEU 63 CO 0.00 -0.42 2.83 -0.81 0.23 0.00 0.00 176.35 178.19 2k2q n PRO 64 N 5.60 2.19 -1.73 1.29 -0.04 -1.26 -4.79 135.00 136.26 2k2q n PRO 64 Ca -0.06 -1.87 -0.43 0.00 -0.04 0.00 0.00 63.50 61.10 2k2q n PRO 64 Cb 0.49 -2.00 -0.03 0.00 -0.04 0.00 0.00 33.50 31.92 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 -1.59 3.64 -0.20 1.53 2.96 -1.26 -4.20 118.68 119.57 2k2q s LEU 65 Ca 0.55 1.88 -0.11 0.00 -0.22 0.00 0.00 54.13 56.23 2k2q s LEU 65 Cb 0.34 -3.52 0.04 0.00 0.50 0.00 0.00 46.19 43.55 2k2q s LEU 65 CO -0.14 -1.72 0.23 0.29 -1.32 0.00 0.00 176.35 173.69 2k2q n LYS 66 N 8.42 -4.51 0.02 1.98 4.76 -1.26 -5.00 118.16 122.57 2k2q n LYS 66 Ca 0.26 3.40 0.00 0.00 -2.87 0.00 0.00 58.31 59.10 2k2q n LYS 66 Cb 0.45 -5.07 0.00 0.00 -1.84 0.00 0.00 35.03 28.57 2k2q n LYS 66 CO 0.00 0.00 0.00 1.55 -1.37 0.00 0.00 177.40 177.58 2k2q n VAL 67 N 1.65 0.00 0.11 -0.18 3.14 -1.26 -4.94 118.33 116.85 2k2q n VAL 67 Ca -0.39 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 60.99 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 -2.38 -2.01 -2.66 6.55 7.94 -1.26 -4.57 117.00 118.61 2k2q n LEU 68 Ca 0.00 0.67 -0.26 0.00 -1.11 0.00 0.00 56.01 55.32 2k2q n LEU 68 Cb 0.00 2.11 -0.09 0.00 0.53 0.00 0.00 43.42 45.97 2k2q n LEU 68 CO 0.00 0.14 2.38 0.49 -1.11 0.00 0.00 177.39 179.29 2k2q n PHE 69 N -3.18 1.27 -1.84 1.96 3.72 -1.26 -3.44 117.46 114.70 2k2q n PHE 69 Ca 0.00 -2.26 0.00 0.00 -0.05 0.00 0.00 57.45 55.14 2k2q n PHE 69 Cb 0.00 -1.95 0.00 0.00 -0.94 0.00 0.00 39.48 36.59 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 2.72 1.59 -3.22 4.37 0.00 -1.26 -3.94 120.51 120.77 2k2q n ALA 70 Ca 0.59 -0.31 -0.13 0.00 0.00 0.00 0.00 53.44 53.59 2k2q n ALA 70 Cb 0.57 -0.12 -0.10 0.00 0.00 0.00 0.00 19.45 19.81 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 0.00 0.54 0.39 0.00 -1.52 -1.22 -4.89 119.66 112.95 2k2q s GLN 71 Ca 0.00 0.06 0.28 0.00 -1.95 0.00 0.00 55.36 53.74 2k2q s GLN 71 Cb 0.00 0.24 0.95 0.00 -0.22 0.00 0.00 33.01 33.99 2k2q s GLN 71 CO 0.00 -0.12 1.80 -1.00 -0.25 0.00 0.00 175.29 175.72 2k2q h PRO 72 N 4.62 0.00 -4.20 2.91 0.13 -1.93 -3.40 132.00 130.13 2k2q h PRO 72 Ca -0.28 0.00 -0.74 0.00 -0.87 0.00 0.00 66.00 64.11 2k2q h PRO 72 Cb 1.18 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.04 2k2q h PRO 72 CO 0.36 0.00 -0.31 0.99 -0.23 0.00 0.00 178.00 178.81 2k2q s THR 73 N -3.38 4.66 0.05 1.56 2.01 -1.26 -4.92 115.64 114.36 2k2q s THR 73 Ca 0.05 -1.66 -0.21 0.00 0.31 0.00 0.00 61.69 60.17 2k2q s THR 73 Cb 0.09 -4.03 -0.13 0.00 0.01 0.00 0.00 72.50 68.43 2k2q s THR 73 CO 0.54 -0.82 1.45 0.40 -0.69 0.00 0.00 174.62 175.50 2k2q h ILE 74 N 6.02 1.27 -0.38 1.82 2.04 -1.92 -3.02 117.51 123.34 2k2q h ILE 74 Ca -0.25 -0.91 0.07 0.00 1.00 0.00 0.00 64.86 64.77 2k2q h ILE 74 Cb 1.08 1.62 -0.02 0.00 -0.74 0.00 0.00 36.82 38.76 2k2q h ILE 74 CO 0.94 0.26 0.26 0.07 0.00 0.00 0.00 178.15 179.69 2k2q h LYS 75 N -0.05 0.17 -0.10 2.37 5.09 -1.96 0.18 116.57 122.29 2k2q h LYS 75 Ca 0.03 -0.01 -0.01 0.00 0.09 0.00 0.00 60.65 60.76 2k2q h LYS 75 Cb 0.42 -0.04 -0.00 0.00 0.10 0.00 0.00 32.23 32.70 2k2q h LYS 75 CO 0.01 0.12 0.04 0.00 -2.09 0.00 0.00 179.45 177.52 2k2q h ALA 76 N 1.81 0.13 0.03 0.07 0.00 -1.95 -2.12 119.26 117.23 2k2q h ALA 76 Ca 0.17 -0.10 -0.22 0.00 0.00 0.00 0.00 54.91 54.77 2k2q h ALA 76 Cb 0.45 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2k2q h ALA 76 CO -0.03 -0.28 -0.99 -0.07 0.00 0.00 0.00 179.25 177.88 2k2q h LEU 77 N -0.00 0.22 -0.30 0.00 3.38 -1.40 -3.04 115.31 114.16 2k2q h LEU 77 Ca 0.03 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.80 2k2q h LEU 77 Cb 0.17 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2k2q h LEU 77 CO -0.00 1.07 0.00 0.00 0.09 0.00 0.00 178.44 179.60 2k2q n ALA 78 N -2.45 1.59 -0.01 1.53 0.00 0.59 -0.25 120.51 121.51 2k2q n ALA 78 Ca -0.04 0.01 0.01 0.00 0.00 0.00 0.00 53.44 53.42 2k2q n ALA 78 Cb 0.89 -1.27 0.01 0.00 0.00 0.00 0.00 19.45 19.08 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 -1.78 2.49 0.00 0.00 10.64 -0.81 -4.51 117.38 123.41 2k2q n GLN 79 Ca 0.03 -1.43 0.00 0.00 -1.83 0.00 0.00 57.00 53.77 2k2q n GLN 79 Cb 0.17 -1.03 0.00 0.00 -0.86 0.00 0.00 30.24 28.53 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 -0.34 0.00 -0.03 2.61 4.01 -0.97 -4.93 117.16 117.51 2k2q n TYR 80 Ca 0.01 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.54 2k2q n TYR 80 Cb 0.24 0.30 -0.13 0.00 -0.31 0.00 0.00 39.34 39.43 2k2q n TYR 80 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2k2q n VAL 81 N -2.17 1.70 1.41 -0.72 0.31 0.65 -5.07 118.33 114.44 2k2q n VAL 81 Ca 0.00 -0.56 0.11 0.00 -0.01 0.00 0.00 64.34 63.89 2k2q n VAL 81 Cb 0.03 -1.73 0.67 0.00 -0.91 0.00 0.00 33.84 31.90 2k2q n VAL 81 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51