#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 -0.01 0.38 -5.12 0.00 -1.26 -4.78 105.19 94.39 2k2q n GLY 2 Ca 0.00 -0.08 0.06 0.00 0.00 0.00 0.00 46.02 46.00 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 -3.97 1.54 -1.80 1.61 0.24 -1.26 -4.77 118.33 109.92 2k2q n VAL 3 Ca -0.02 -1.55 -0.29 0.00 -2.04 0.00 0.00 64.34 60.44 2k2q n VAL 3 Cb 0.55 0.12 0.09 0.00 -1.47 0.00 0.00 33.84 33.13 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 -1.94 2.22 -0.46 3.34 -4.23 -1.26 -4.90 115.64 108.42 2k2q s THR 4 Ca 0.24 0.07 -0.31 0.00 -1.18 0.00 0.00 61.69 60.51 2k2q s THR 4 Cb 0.18 -3.00 -0.11 0.00 1.34 0.00 0.00 72.50 70.91 2k2q s THR 4 CO 0.06 -0.09 2.33 -0.62 -0.54 0.00 0.00 174.62 175.76 2k2q n GLU 5 N -3.39 1.04 -2.19 3.99 4.71 -1.26 -4.79 120.64 118.75 2k2q n GLU 5 Ca 0.07 0.20 -0.41 0.00 -0.01 0.00 0.00 57.16 57.01 2k2q n GLU 5 Cb 0.60 -2.71 -0.03 0.00 -1.01 0.00 0.00 31.44 28.29 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 9.08 3.53 -0.34 0.62 0.00 -0.23 -4.91 121.76 129.51 2k2q s ALA 6 Ca 1.09 1.15 0.12 0.00 0.00 0.00 0.00 51.96 54.31 2k2q s ALA 6 Cb -0.65 -3.49 0.71 0.00 0.00 0.00 0.00 23.12 19.70 2k2q s ALA 6 CO 0.41 -0.56 1.61 1.04 0.00 0.00 0.00 175.76 178.25 2k2q n GLN 7 N 2.34 4.28 -3.31 0.00 1.13 -1.26 -4.75 117.38 115.81 2k2q n GLN 7 Ca 0.05 -2.75 -0.07 0.00 -1.94 0.00 0.00 57.00 52.29 2k2q n GLN 7 Cb 0.42 -2.17 -0.06 0.00 0.11 0.00 0.00 30.24 28.54 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 -2.57 -1.00 -0.42 1.08 5.04 -1.26 -5.08 117.35 113.14 2k2q s TYR 8 Ca 0.48 0.78 0.03 0.00 -2.44 0.00 0.00 57.07 55.92 2k2q s TYR 8 Cb 0.37 0.04 0.16 0.00 0.35 0.00 0.00 41.96 42.88 2k2q s TYR 8 CO 0.14 -0.83 0.33 0.54 -1.34 0.00 0.00 175.55 174.38 2k2q s VAL 9 N 2.59 0.51 -0.30 3.14 0.11 -1.26 -3.83 120.40 121.36 2k2q s VAL 9 Ca 0.13 -2.62 -0.02 0.00 -2.93 0.00 0.00 61.98 56.54 2k2q s VAL 9 Cb -0.14 -1.37 0.05 0.00 -1.53 0.00 0.00 36.38 33.39 2k2q s VAL 9 CO -0.21 -1.18 0.00 0.00 -3.33 0.00 0.00 175.10 170.38 2k2q s ALA 10 N 0.11 2.81 0.21 1.54 0.00 -1.26 -4.97 121.76 120.20 2k2q s ALA 10 Ca 0.30 -1.79 -0.31 0.00 0.00 0.00 0.00 51.96 50.16 2k2q s ALA 10 Cb -0.01 -1.94 -0.10 0.00 0.00 0.00 0.00 23.12 21.07 2k2q s ALA 10 CO -0.16 -1.29 1.53 -2.14 0.00 0.00 0.00 175.76 173.70 2k2q s PRO 11 N 1.24 4.22 0.17 0.00 0.02 -1.26 -4.84 135.00 134.55 2k2q s PRO 11 Ca -0.05 2.37 -0.09 0.00 0.02 0.00 0.00 61.00 63.26 2k2q s PRO 11 Cb -0.20 -3.12 0.04 0.00 0.02 0.00 0.00 34.50 31.24 2k2q s PRO 11 CO -0.01 -0.55 1.56 1.15 -0.33 0.00 0.00 177.00 178.81 2k2q h THR 12 N 3.78 1.27 -0.88 0.99 2.02 -1.99 -3.47 112.91 114.63 2k2q h THR 12 Ca -0.44 -1.40 0.00 0.00 0.77 0.00 0.00 66.41 65.34 2k2q h THR 12 Cb 1.21 1.18 0.00 0.00 -1.74 0.00 0.00 68.15 68.80 2k2q h THR 12 CO 0.85 0.48 0.00 -3.20 0.37 0.00 0.00 175.52 174.02 2k2q n ASN 13 N -4.10 0.00 -0.71 4.18 2.85 -1.26 -5.00 115.26 111.22 2k2q n ASN 13 Ca -0.00 0.00 0.12 0.00 -0.11 0.00 0.00 54.58 54.59 2k2q n ASN 13 Cb 0.47 0.00 0.34 0.00 1.24 0.00 0.00 39.78 41.83 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 2.51 0.03 5.20 0.00 -1.26 -4.22 120.51 119.77 2k2q n ALA 14 Ca 0.00 -0.61 -0.13 0.00 0.00 0.00 0.00 53.44 52.70 2k2q n ALA 14 Cb 0.00 -1.02 -0.09 0.00 0.00 0.00 0.00 19.45 18.33 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 3.10 1.16 0.00 0.00 2.07 -1.99 -3.12 116.25 117.48 2k2q h VAL 15 Ca 0.00 -1.09 0.00 0.00 0.82 0.00 0.00 66.70 66.43 2k2q h VAL 15 Cb 0.67 1.84 0.00 0.00 -1.52 0.00 0.00 31.29 32.28 2k2q h VAL 15 CO 0.00 0.26 0.00 -0.33 0.02 0.00 0.00 177.57 177.52 2k2q h GLU 16 N -0.63 0.00 -0.72 1.57 4.39 -2.00 -2.67 114.58 114.52 2k2q h GLU 16 Ca -0.01 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.63 2k2q h GLU 16 Cb 0.51 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.13 2k2q h GLU 16 CO 0.02 0.00 0.23 0.77 -1.16 0.00 0.00 179.01 178.87 2k2q h SER 17 N 0.00 1.04 0.79 1.42 0.02 -1.75 0.11 113.55 115.18 2k2q h SER 17 Ca 0.00 -0.21 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 2k2q h SER 17 Cb 0.25 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.51 2k2q h SER 17 CO 0.00 0.97 -0.16 0.29 -1.14 0.00 0.00 176.83 176.80 2k2q n LYS 18 N -4.29 0.07 -0.05 3.45 5.02 -1.01 -3.32 118.16 118.03 2k2q n LYS 18 Ca 0.06 -0.02 -0.09 0.00 -2.02 0.00 0.00 58.31 56.24 2k2q n LYS 18 Cb 0.22 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.59 2k2q n LYS 18 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2k2q n LEU 19 N -1.45 0.57 0.19 -0.35 4.77 -0.86 -4.11 117.00 115.76 2k2q n LEU 19 Ca 0.07 0.27 0.04 0.00 -0.03 0.00 0.00 56.01 56.36 2k2q n LEU 19 Cb 0.33 0.29 0.40 0.00 -2.33 0.00 0.00 43.42 42.10 2k2q n LEU 19 CO 0.29 0.43 0.75 0.00 -1.33 0.00 0.00 177.39 177.52 2k2q h ALA 20 N 1.00 1.34 0.00 -1.18 0.00 -0.80 0.10 119.26 119.71 2k2q h ALA 20 Ca -0.38 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.22 2k2q h ALA 20 Cb 2.10 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.83 2k2q h ALA 20 CO 0.06 0.43 0.00 0.39 0.00 0.00 0.00 179.25 180.13 2k2q n GLU 21 N -3.99 0.44 0.00 0.00 -0.58 -1.23 -1.87 120.64 113.41 2k2q n GLU 21 Ca -0.02 0.05 -0.00 0.00 -0.42 0.00 0.00 57.16 56.77 2k2q n GLU 21 Cb 0.40 -1.50 -0.00 0.00 -0.57 0.00 0.00 31.44 29.77 2k2q n GLU 21 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 2k2q n ILE 22 N -1.21 0.27 0.01 -3.67 5.41 -0.67 -4.46 119.36 115.04 2k2q n ILE 22 Ca 0.13 0.16 -0.13 0.00 1.00 0.00 0.00 62.75 63.91 2k2q n ILE 22 Cb 0.16 -1.24 -0.09 0.00 -0.71 0.00 0.00 39.64 37.76 2k2q n ILE 22 CO 0.00 0.00 0.00 -0.50 0.00 0.00 0.00 176.55 176.05 2k2q h TRP 23 N -0.04 -0.01 0.00 1.39 -0.00 -1.18 -0.98 115.95 115.13 2k2q h TRP 23 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.89 2k2q h TRP 23 Cb 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.21 2k2q h TRP 23 CO -0.02 0.30 0.00 1.49 -0.00 0.00 0.00 178.44 180.22 2k2q h GLU 24 N -0.32 0.00 -0.43 0.49 4.57 -1.66 0.22 114.58 117.45 2k2q h GLU 24 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2k2q h GLU 24 Cb 0.31 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.90 2k2q h GLU 24 CO 0.00 0.00 0.00 0.54 -1.18 0.00 0.00 179.01 178.37 2k2q n ARG 25 N -2.96 2.50 0.01 1.92 3.00 -0.78 -0.53 116.66 119.82 2k2q n ARG 25 Ca 0.03 -2.31 0.00 0.00 -0.01 0.00 0.00 57.85 55.56 2k2q n ARG 25 Cb 0.45 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.41 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 1.45 0.01 -0.07 1.55 0.31 -0.38 -4.91 118.33 116.29 2k2q n VAL 26 Ca 0.19 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.47 2k2q n VAL 26 Cb 0.59 -0.61 -0.03 0.00 -0.91 0.00 0.00 33.84 32.88 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 0.00 0.00 7.52 4.07 -0.82 -3.45 115.31 122.63 2k2q h LEU 27 Ca 0.00 -0.14 0.00 0.00 0.08 0.00 0.00 57.88 57.82 2k2q h LEU 27 Cb 0.10 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.84 2k2q h LEU 27 CO 0.00 0.76 0.00 0.61 -1.08 0.00 0.00 178.44 178.73 2k2q n GLY 28 N 1.66 -0.35 2.48 0.83 0.00 0.36 -4.88 105.19 105.29 2k2q n GLY 28 Ca -0.07 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.08 0.37 1.61 0.31 0.32 -4.82 118.33 116.04 2k2q n VAL 29 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.38 2k2q n VAL 29 Cb 0.00 -1.81 -0.07 0.00 -0.91 0.00 0.00 33.84 31.05 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 -0.83 1.03 -0.33 4.52 7.64 -1.26 -5.02 113.62 119.37 2k2q n SER 30 Ca -0.18 -0.55 0.00 0.00 1.01 0.00 0.00 58.87 59.15 2k2q n SER 30 Cb 0.57 1.14 0.00 0.00 -1.01 0.00 0.00 64.21 64.91 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 1.42 0.81 1.24 0.23 0.00 -1.26 -4.40 105.19 103.21 2k2q n GLY 31 Ca 0.01 -0.55 -0.07 0.00 0.00 0.00 0.00 46.02 45.41 2k2q n GLY 31 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2k2q n ILE 32 N -0.33 0.00 -2.75 -0.61 -5.35 -1.26 -1.06 119.36 108.00 2k2q n ILE 32 Ca 0.00 -0.52 0.00 0.00 -0.27 0.00 0.00 62.75 61.96 2k2q n ILE 32 Cb 0.12 -1.14 0.00 0.00 -1.74 0.00 0.00 39.64 36.88 2k2q n ILE 32 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2k2q n GLY 33 N 2.60 -1.24 3.58 3.28 0.00 -1.26 -4.82 105.19 107.33 2k2q n GLY 33 Ca 0.05 -0.85 -0.37 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.90 3.90 0.00 -0.61 -1.09 -1.25 -4.19 121.20 115.06 2k2q s ILE 34 Ca 0.00 -1.48 0.00 0.00 -2.23 0.00 0.00 60.65 56.94 2k2q s ILE 34 Cb 0.00 -4.95 0.00 0.00 -1.58 0.00 0.00 42.46 35.93 2k2q s ILE 34 CO 0.00 -1.64 0.68 0.18 -1.23 0.00 0.00 174.94 172.92 2k2q n LEU 35 N 10.62 0.00 -0.87 2.97 4.77 -1.26 -4.91 117.00 128.32 2k2q n LEU 35 Ca 0.47 -0.98 0.00 0.00 -0.03 0.00 0.00 56.01 55.47 2k2q n LEU 35 Cb 0.46 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 2k2q n LEU 35 CO 0.73 0.69 -0.21 -0.67 -1.33 0.00 0.00 177.39 176.61 2k2q n ASP 36 N 0.00 -5.18 -0.86 -1.43 2.03 -1.26 -5.13 116.55 104.72 2k2q n ASP 36 Ca 0.00 0.58 0.00 0.00 0.52 0.00 0.00 54.79 55.89 2k2q n ASP 36 Cb 0.58 -1.80 0.00 0.00 -0.72 0.00 0.00 41.12 39.17 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 0.09 0.00 0.32 1.67 6.94 -1.26 -4.95 115.26 118.06 2k2q n ASN 37 Ca 0.00 -0.86 0.19 0.00 -0.02 0.00 0.00 54.58 53.89 2k2q n ASN 37 Cb 0.00 0.00 1.07 0.00 -2.36 0.00 0.00 39.78 38.49 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 0.86 0.00 0.08 -2.53 -0.00 -1.88 -2.58 116.94 110.88 2k2q h PHE 38 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 57.97 57.65 2k2q h PHE 38 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 35.95 35.93 2k2q h PHE 38 CO 0.00 0.00 -1.75 0.34 -0.00 0.00 0.00 178.31 176.90 2k2q n PHE 39 N -3.43 1.15 -1.48 6.09 7.35 -1.26 -4.31 117.46 121.56 2k2q n PHE 39 Ca -0.03 0.32 -0.42 0.00 -0.76 0.00 0.00 57.45 56.56 2k2q n PHE 39 Cb 0.09 -1.14 -0.03 0.00 0.35 0.00 0.00 39.48 38.76 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 -3.83 2.19 0.00 -4.13 6.02 -0.97 -0.43 117.38 116.22 2k2q n GLN 40 Ca -0.33 -2.26 0.00 0.00 -0.01 0.00 0.00 57.00 54.41 2k2q n GLN 40 Cb 0.92 -3.13 0.00 0.00 1.02 0.00 0.00 30.24 29.05 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 5.62 0.00 -0.63 5.09 0.13 -1.26 -4.20 119.36 124.10 2k2q n ILE 41 Ca 0.51 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 62.16 2k2q n ILE 41 Cb 0.40 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 39.20 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 0.00 -0.36 3.64 4.50 0.00 -1.09 -4.81 105.19 107.07 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 -0.18 1.45 -0.01 -0.02 0.00 0.43 -4.81 107.32 104.18 2k2q s GLY 43 Ca 0.00 0.28 0.01 0.00 0.00 0.00 0.00 44.72 45.00 2k2q s GLY 43 CO 0.00 2.61 0.69 -2.39 0.00 0.00 0.00 173.10 174.02 2k2q n HIS 44 N 7.38 0.00 -0.58 1.90 1.44 -1.26 -4.88 115.22 119.22 2k2q n HIS 44 Ca 0.15 -0.10 0.07 0.00 -2.01 0.00 0.00 57.72 55.83 2k2q n HIS 44 Cb 0.46 -0.02 -0.04 0.00 0.12 0.00 0.00 29.99 30.51 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 -0.12 -3.15 -2.96 4.39 7.64 -1.26 -4.42 113.62 113.73 2k2q n SER 45 Ca 0.01 0.59 -0.28 0.00 1.01 0.00 0.00 58.87 60.20 2k2q n SER 45 Cb 0.52 -2.00 -0.03 0.00 -1.01 0.00 0.00 64.21 61.68 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 -2.94 4.70 -4.11 -3.43 -0.00 -1.26 -4.77 117.00 105.18 2k2q n LEU 46 Ca -0.04 -5.65 -0.13 0.00 -0.00 0.00 0.00 56.01 50.20 2k2q n LEU 46 Cb 0.28 -0.60 -0.07 0.00 -0.00 0.00 0.00 43.42 43.04 2k2q n LEU 46 CO 0.02 2.33 0.02 -0.54 -0.00 0.00 0.00 177.39 179.22 2k2q s LYS 47 N -3.54 1.59 0.46 1.47 -0.14 -1.26 -5.04 119.74 113.28 2k2q s LYS 47 Ca 0.48 -1.60 0.18 0.00 -1.36 0.00 0.00 55.97 53.67 2k2q s LYS 47 Cb 0.28 0.39 1.14 0.00 -1.68 0.00 0.00 37.83 37.97 2k2q s LYS 47 CO -0.14 -0.62 1.97 0.00 -0.76 0.00 0.00 175.35 175.80 2k2q h ALA 48 N 2.30 2.17 0.00 5.17 0.00 -1.99 0.47 119.26 127.38 2k2q h ALA 48 Ca -0.29 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 2k2q h ALA 48 Cb 1.24 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 2k2q h ALA 48 CO 0.42 -0.33 -0.01 1.98 0.00 0.00 0.00 179.25 181.31 2k2q h MET 49 N 0.28 0.00 0.00 0.00 -1.53 -1.96 -1.57 114.93 110.15 2k2q h MET 49 Ca 0.28 0.00 -0.12 0.00 -3.44 0.00 0.00 59.70 56.43 2k2q h MET 49 Cb 0.73 0.00 -0.02 0.00 -0.55 0.00 0.00 31.60 31.76 2k2q h MET 49 CO -0.06 0.01 -0.55 0.00 0.14 0.00 0.00 176.91 176.45 2k2q h ALA 50 N 1.99 0.96 0.00 0.39 0.00 -1.11 -2.71 119.26 118.79 2k2q h ALA 50 Ca -0.00 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2k2q h ALA 50 Cb 0.20 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2k2q h ALA 50 CO 0.00 0.69 -0.03 0.28 0.00 0.00 0.00 179.25 180.19 2k2q n VAL 51 N -3.70 0.08 -0.19 0.00 0.31 -0.59 -3.53 118.33 110.71 2k2q n VAL 51 Ca -0.01 -0.04 -0.07 0.00 -0.01 0.00 0.00 64.34 64.21 2k2q n VAL 51 Cb 0.59 -0.47 0.02 0.00 -0.91 0.00 0.00 33.84 33.07 2k2q n VAL 51 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2k2q h ALA 52 N 2.93 0.69 0.00 3.52 0.00 -1.49 -1.56 119.26 123.35 2k2q h ALA 52 Ca 0.00 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 2k2q h ALA 52 Cb 0.53 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2k2q h ALA 52 CO 0.00 0.25 -0.31 0.00 0.00 0.00 0.00 179.25 179.18 2k2q h ALA 53 N 1.10 1.18 0.25 0.00 0.00 -1.72 -2.30 119.26 117.77 2k2q h ALA 53 Ca 0.19 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2k2q h ALA 53 Cb 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2k2q h ALA 53 CO -0.02 0.39 -0.12 1.96 0.00 0.00 0.00 179.25 181.46 2k2q h GLN 54 N 0.00 -0.32 -0.72 0.00 1.08 -1.43 -2.44 115.11 111.28 2k2q h GLN 54 Ca -0.00 0.02 -0.05 0.00 -1.45 0.00 0.00 58.65 57.17 2k2q h GLN 54 Cb 0.69 0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 28.16 2k2q h GLN 54 CO 0.04 -0.08 0.25 0.28 -0.95 0.00 0.00 178.83 178.37 2k2q h VAL 55 N -0.52 1.25 -0.04 -0.54 2.07 -1.27 0.23 116.25 117.43 2k2q h VAL 55 Ca -0.03 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 66.65 2k2q h VAL 55 Cb 0.39 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 2k2q h VAL 55 CO 0.06 0.33 0.00 1.57 0.02 0.00 0.00 177.57 179.55 2k2q n HIS 56 N -4.27 0.09 -1.97 1.57 -0.00 -0.88 -3.01 115.22 106.76 2k2q n HIS 56 Ca 0.06 -0.04 0.00 0.00 -0.00 0.00 0.00 57.72 57.75 2k2q n HIS 56 Cb 0.20 -0.06 0.00 0.00 -0.00 0.00 0.00 29.99 30.13 2k2q n HIS 56 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.34 174.21 2k2q n ARG 57 N -0.17 0.00 -3.51 1.57 3.00 -0.80 -5.00 116.66 111.76 2k2q n ARG 57 Ca 0.02 -0.97 -0.25 0.00 -0.00 0.00 0.00 57.85 56.65 2k2q n ARG 57 Cb 0.17 -0.49 0.05 0.00 0.00 0.00 0.00 32.46 32.19 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 0.00 -6.34 -2.04 -0.14 2.13 -1.11 -4.20 120.64 108.94 2k2q n GLU 58 Ca 0.00 0.77 -0.03 0.00 0.66 0.00 0.00 57.16 58.57 2k2q n GLU 58 Cb 0.69 -5.72 -0.02 0.00 0.27 0.00 0.00 31.44 26.65 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 -4.74 -2.43 -0.23 4.31 4.01 0.75 -4.93 117.16 113.90 2k2q n TYR 59 Ca -0.02 1.42 -0.07 0.00 -0.16 0.00 0.00 57.90 59.08 2k2q n TYR 59 Cb 0.57 -2.82 0.04 0.00 -0.31 0.00 0.00 39.34 36.81 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 2.19 0.94 0.00 -0.72 4.20 -1.73 -3.46 115.11 116.53 2k2q h GLN 60 Ca -0.28 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.28 2k2q h GLN 60 Cb 0.62 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.24 2k2q h GLN 60 CO 0.00 0.77 0.00 0.28 -0.67 0.00 0.00 178.83 179.22 2k2q n VAL 61 N -4.45 0.00 0.01 -0.54 0.31 -1.26 -3.85 118.33 108.54 2k2q n VAL 61 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 2k2q n VAL 61 Cb 0.15 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.08 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 -4.35 5.55 -0.58 -1.26 -5.08 120.64 114.92 2k2q n GLU 62 Ca 0.00 0.00 -0.34 0.00 -0.42 0.00 0.00 57.16 56.40 2k2q n GLU 62 Cb 0.00 -0.07 -0.11 0.00 -0.57 0.00 0.00 31.44 30.70 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 -5.34 3.47 -0.97 -4.62 1.43 -1.25 -5.01 118.68 106.39 2k2q s LEU 63 Ca 0.00 0.03 -0.08 0.00 -1.03 0.00 0.00 54.13 53.05 2k2q s LEU 63 Cb 0.00 -1.82 -0.10 0.00 0.03 0.00 0.00 46.19 44.30 2k2q s LEU 63 CO 0.00 0.27 3.07 -0.81 0.23 0.00 0.00 176.35 179.11 2k2q n PRO 64 N 2.84 3.19 -1.68 1.29 -0.04 -1.26 -4.80 135.00 134.54 2k2q n PRO 64 Ca -0.18 -2.03 -0.43 0.00 -0.04 0.00 0.00 63.50 60.82 2k2q n PRO 64 Cb 0.53 -2.47 -0.03 0.00 -0.04 0.00 0.00 33.50 31.49 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 -0.45 3.53 -0.55 1.53 2.96 -1.26 -3.72 118.68 120.72 2k2q s LEU 65 Ca 0.66 1.85 -0.16 0.00 -0.22 0.00 0.00 54.13 56.25 2k2q s LEU 65 Cb 0.24 -3.51 0.02 0.00 0.50 0.00 0.00 46.19 43.44 2k2q s LEU 65 CO -0.06 -1.85 0.64 0.29 -1.32 0.00 0.00 176.35 174.05 2k2q n LYS 66 N 8.61 -1.95 0.05 1.98 4.76 -1.26 -4.95 118.16 125.39 2k2q n LYS 66 Ca 0.28 1.66 0.00 0.00 -2.87 0.00 0.00 58.31 57.38 2k2q n LYS 66 Cb 0.45 -4.41 0.00 0.00 -1.84 0.00 0.00 35.03 29.23 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 -0.88 0.00 0.09 -0.18 3.14 -1.24 -5.08 118.33 114.18 2k2q n VAL 67 Ca -0.01 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.37 2k2q n VAL 67 Cb 0.55 -0.17 0.00 0.00 -1.06 0.00 0.00 33.84 33.16 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 -2.73 -1.54 -1.65 6.55 7.94 -1.26 -4.97 117.00 119.34 2k2q n LEU 68 Ca 0.00 0.57 -0.03 0.00 -1.11 0.00 0.00 56.01 55.44 2k2q n LEU 68 Cb 0.00 1.70 -0.04 0.00 0.53 0.00 0.00 43.42 45.61 2k2q n LEU 68 CO 0.00 0.08 1.08 0.49 -1.11 0.00 0.00 177.39 177.94 2k2q n PHE 69 N -2.98 0.00 -2.17 1.96 3.72 -1.26 -3.00 117.46 113.73 2k2q n PHE 69 Ca 0.00 -1.05 -0.04 0.00 -0.05 0.00 0.00 57.45 56.31 2k2q n PHE 69 Cb 0.00 -0.73 -0.04 0.00 -0.94 0.00 0.00 39.48 37.77 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 1.77 3.34 -3.75 4.37 0.00 -1.26 -4.79 120.51 120.19 2k2q n ALA 70 Ca 0.10 -1.18 -0.22 0.00 0.00 0.00 0.00 53.44 52.13 2k2q n ALA 70 Cb 0.56 -0.46 -0.17 0.00 0.00 0.00 0.00 19.45 19.37 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 -0.04 0.63 0.38 0.00 -0.44 -1.16 -4.81 119.66 114.22 2k2q s GLN 71 Ca 0.10 0.08 0.13 0.00 -2.50 0.00 0.00 55.36 53.16 2k2q s GLN 71 Cb 0.13 -0.93 0.76 0.00 -1.64 0.00 0.00 33.01 31.33 2k2q s GLN 71 CO -0.05 -0.27 1.86 -1.00 0.50 0.00 0.00 175.29 176.33 2k2q h PRO 72 N 8.13 0.03 -3.36 1.67 0.13 -1.98 -3.29 132.00 133.32 2k2q h PRO 72 Ca -0.23 -0.01 -0.75 0.00 -0.87 0.00 0.00 66.00 64.14 2k2q h PRO 72 Cb 1.13 -0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.13 2k2q h PRO 72 CO 0.30 0.35 2.29 2.41 -0.23 0.00 0.00 178.00 183.11 2k2q n THR 73 N -4.15 4.43 0.22 1.56 -1.04 -1.26 -4.73 114.28 109.30 2k2q n THR 73 Ca -0.02 -4.17 0.10 0.00 -2.04 0.00 0.00 64.05 57.92 2k2q n THR 73 Cb 0.37 -2.34 0.66 0.00 -1.82 0.00 0.00 70.33 67.20 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 3.52 0.93 0.00 12.58 2.04 -1.95 -1.15 117.51 133.48 2k2q h ILE 74 Ca 0.49 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.35 2k2q h ILE 74 Cb 0.55 0.95 -0.00 0.00 -0.74 0.00 0.00 36.82 37.59 2k2q h ILE 74 CO 1.63 0.00 -0.02 0.07 0.00 0.00 0.00 178.15 179.84 2k2q h LYS 75 N 0.00 0.00 0.00 2.37 5.09 -1.93 0.16 116.57 122.25 2k2q h LYS 75 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.78 2k2q h LYS 75 Cb 0.18 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.51 2k2q h LYS 75 CO -0.00 0.02 0.00 0.00 -2.09 0.00 0.00 179.45 177.38 2k2q n ALA 76 N -2.19 2.27 -0.01 0.07 0.00 -0.43 -3.40 120.51 116.81 2k2q n ALA 76 Ca -0.03 -0.07 0.01 0.00 0.00 0.00 0.00 53.44 53.36 2k2q n ALA 76 Cb 0.12 -1.46 -0.05 0.00 0.00 0.00 0.00 19.45 18.06 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 -1.75 0.00 -0.12 0.00 4.77 0.01 -4.52 117.00 115.40 2k2q n LEU 77 Ca 0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 2k2q n LEU 77 Cb 0.36 0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 2k2q n LEU 77 CO 0.27 0.04 0.44 0.00 -1.33 0.00 0.00 177.39 176.81 2k2q n ALA 78 N -1.86 2.50 -0.03 -1.18 0.00 0.33 -2.00 120.51 118.27 2k2q n ALA 78 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2k2q n ALA 78 Cb 0.31 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.76 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 -0.38 2.58 0.00 0.00 10.64 -1.24 -4.60 117.38 124.37 2k2q n GLN 79 Ca 0.00 -1.38 0.00 0.00 -1.83 0.00 0.00 57.00 53.79 2k2q n GLN 79 Cb 0.06 -0.98 0.00 0.00 -0.86 0.00 0.00 30.24 28.45 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 -0.44 0.00 -0.04 2.61 4.01 -1.00 -4.97 117.16 117.32 2k2q n TYR 80 Ca 0.00 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.57 2k2q n TYR 80 Cb 0.24 0.39 -0.13 0.00 -0.31 0.00 0.00 39.34 39.52 2k2q n TYR 80 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2k2q h VAL 81 N 0.00 1.54 -0.02 -0.72 2.07 -1.74 -3.52 116.25 113.85 2k2q h VAL 81 Ca 0.00 -2.37 0.00 0.00 0.82 0.00 0.00 66.70 65.15 2k2q h VAL 81 Cb 0.00 3.12 0.00 0.00 -1.52 0.00 0.00 31.29 32.89 2k2q h VAL 81 CO 0.00 0.60 0.00 0.00 0.02 0.00 0.00 177.57 178.19