#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbj s GLN 4 N 0.00 3.19 -0.21 1.20 0.74 -1.26 -4.61 119.66 118.71 2qbj s GLN 4 Ca 0.00 -0.85 -0.04 0.00 0.05 0.00 0.00 55.36 54.52 2qbj s GLN 4 Cb 0.00 -2.79 0.11 0.00 1.10 0.00 0.00 33.01 31.43 2qbj s GLN 4 CO 0.00 0.09 0.30 0.71 -0.55 0.00 0.00 175.29 175.84 2qbj s TYR 5 N -2.20 -0.54 0.04 1.67 1.51 0.06 -4.97 117.35 112.93 2qbj s TYR 5 Ca 0.43 0.60 -0.20 0.00 -1.01 0.00 0.00 57.07 56.89 2qbj s TYR 5 Cb -0.09 -0.14 -0.06 0.00 -0.11 0.00 0.00 41.96 41.55 2qbj s TYR 5 CO 0.32 -0.62 0.58 -0.47 -1.11 0.00 0.00 175.55 174.25 2qbj s TYR 6 N 2.44 3.76 -0.14 2.71 6.14 -1.25 0.20 117.35 131.21 2qbj s TYR 6 Ca 0.09 1.25 0.01 0.00 0.64 0.00 0.00 57.07 59.06 2qbj s TYR 6 Cb -0.15 -2.55 0.02 0.00 0.42 0.00 0.00 41.96 39.70 2qbj s TYR 6 CO -0.13 0.49 -0.18 0.20 0.64 0.00 0.00 175.55 176.57 2qbj s GLY 7 N -0.72 1.21 0.00 8.97 0.00 0.28 -4.36 107.32 112.70 2qbj s GLY 7 Ca 0.30 -0.96 0.00 0.00 0.00 0.00 0.00 44.72 44.06 2qbj s GLY 7 CO 0.18 0.25 0.00 -1.30 0.00 0.00 0.00 173.10 172.23 2qbj n THR 8 N 4.38 0.00 -0.98 0.90 -2.24 -1.26 0.52 114.28 115.61 2qbj n THR 8 Ca -0.19 0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 2qbj n THR 8 Cb 0.51 -0.83 0.00 0.00 -2.10 0.00 0.00 70.33 67.91 2qbj n THR 8 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qbj n GLY 9 N 0.92 -3.95 3.48 3.38 0.00 -1.26 -3.59 105.19 104.17 2qbj n GLY 9 Ca 0.00 -0.59 -0.09 0.00 0.00 0.00 0.00 46.02 45.33 2qbj n GLY 9 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2qbj s ARG 10 N -2.26 0.94 0.00 1.61 1.70 -1.26 -0.22 118.95 119.46 2qbj s ARG 10 Ca 0.00 -0.34 0.00 0.00 -0.47 0.00 0.00 55.73 54.92 2qbj s ARG 10 Cb 0.00 0.43 0.00 0.00 -0.57 0.00 0.00 34.95 34.81 2qbj s ARG 10 CO 0.00 -0.41 0.00 2.89 -1.08 0.00 0.00 175.30 176.70 2qbj n ARG 11 N -0.27 0.00 -3.80 3.89 1.85 -0.47 -4.68 116.66 113.18 2qbj n ARG 11 Ca -0.11 0.00 -0.28 0.00 -1.00 0.00 0.00 57.85 56.46 2qbj n ARG 11 Cb 0.63 0.00 0.02 0.00 -1.05 0.00 0.00 32.46 32.05 2qbj n ARG 11 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 2qbj n LYS 12 N -0.21 -2.57 -3.60 2.89 5.02 -1.26 -1.11 118.16 117.32 2qbj n LYS 12 Ca 0.00 0.45 -0.27 0.00 -2.02 0.00 0.00 58.31 56.47 2qbj n LYS 12 Cb 0.00 -4.42 0.02 0.00 -0.02 0.00 0.00 35.03 30.61 2qbj n LYS 12 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2qbj n SER 13 N -2.85 -4.74 -3.73 4.39 3.41 -1.26 -4.40 113.62 104.43 2qbj n SER 13 Ca -0.21 -0.58 -0.29 0.00 -0.26 0.00 0.00 58.87 57.53 2qbj n SER 13 Cb 0.64 -3.82 -0.15 0.00 -0.26 0.00 0.00 64.21 60.62 2qbj n SER 13 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2qbj s SER 14 N -3.02 3.70 -0.26 4.04 0.15 -0.27 -0.22 113.70 117.82 2qbj s SER 14 Ca 0.53 -1.38 -0.13 0.00 0.70 0.00 0.00 55.95 55.67 2qbj s SER 14 Cb -0.26 -0.78 -0.04 0.00 -1.71 0.00 0.00 66.02 63.22 2qbj s SER 14 CO 0.65 -0.38 0.28 0.00 1.20 0.00 0.00 173.24 174.99 2qbj s ALA 15 N 1.70 3.56 0.39 5.45 0.00 -0.71 -1.37 121.76 130.77 2qbj s ALA 15 Ca 0.06 -0.91 0.08 0.00 0.00 0.00 0.00 51.96 51.19 2qbj s ALA 15 Cb -0.17 -2.57 -0.03 0.00 0.00 0.00 0.00 23.12 20.35 2qbj s ALA 15 CO -0.20 -0.53 0.33 0.00 0.00 0.00 0.00 175.76 175.35 2qbj s ALA 16 N 1.77 3.94 -0.14 0.00 0.00 0.70 -1.05 121.76 126.99 2qbj s ALA 16 Ca 0.11 -1.82 -0.04 0.00 0.00 0.00 0.00 51.96 50.21 2qbj s ALA 16 Cb -0.16 -1.02 0.07 0.00 0.00 0.00 0.00 23.12 22.01 2qbj s ALA 16 CO 0.10 -0.13 0.23 1.03 0.00 0.00 0.00 175.76 176.98 2qbj s ARG 17 N -4.06 0.13 0.19 0.00 0.52 0.37 -4.31 118.95 111.79 2qbj s ARG 17 Ca 0.45 0.58 0.08 0.00 -0.52 0.00 0.00 55.73 56.32 2qbj s ARG 17 Cb -0.04 -0.35 -0.04 0.00 0.52 0.00 0.00 34.95 35.04 2qbj s ARG 17 CO 0.27 -0.38 -0.01 0.08 0.02 0.00 0.00 175.30 175.28 2qbj s VAL 18 N 2.37 3.62 -0.43 3.52 1.01 0.19 0.11 120.40 130.78 2qbj s VAL 18 Ca 0.03 -1.51 0.07 0.00 0.00 0.00 0.00 61.98 60.57 2qbj s VAL 18 Cb -0.13 -2.83 0.24 0.00 0.00 0.00 0.00 36.38 33.66 2qbj s VAL 18 CO -0.09 -0.14 0.52 0.49 0.00 0.00 0.00 175.10 175.88 2qbj n PHE 19 N -0.20 0.17 -1.63 5.22 3.72 0.25 1.00 117.46 126.00 2qbj n PHE 19 Ca -0.09 -3.62 -0.44 0.00 -0.05 0.00 0.00 57.45 53.25 2qbj n PHE 19 Cb 0.56 -0.29 -0.01 0.00 -0.94 0.00 0.00 39.48 38.79 2qbj n PHE 19 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 2qbj n ILE 20 N 1.57 2.03 -3.56 4.37 -0.00 0.53 -1.99 119.36 122.32 2qbj n ILE 20 Ca 0.24 -0.50 -0.12 0.00 -0.00 0.00 0.00 62.75 62.36 2qbj n ILE 20 Cb 0.50 -1.19 -0.05 0.00 -0.00 0.00 0.00 39.64 38.90 2qbj n ILE 20 CO 0.00 0.00 0.00 -0.75 -0.00 0.00 0.00 176.55 175.80 2qbj s LYS 21 N -1.69 0.72 0.00 0.38 2.20 0.53 -0.76 119.74 121.12 2qbj s LYS 21 Ca 0.58 0.15 -0.01 0.00 -0.36 0.00 0.00 55.97 56.33 2qbj s LYS 21 Cb -0.65 0.34 -0.03 0.00 -1.51 0.00 0.00 37.83 35.98 2qbj s LYS 21 CO 0.61 -0.23 1.14 -0.35 -0.36 0.00 0.00 175.35 176.15 2qbj n PRO 22 N 0.73 0.55 -0.78 4.03 -0.04 -1.26 0.20 135.00 138.44 2qbj n PRO 22 Ca -0.12 -0.13 -0.12 0.00 -0.04 0.00 0.00 63.50 63.09 2qbj n PRO 22 Cb 0.58 -1.41 0.03 0.00 -0.04 0.00 0.00 33.50 32.65 2qbj n PRO 22 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2qbj n GLY 23 N 2.08 3.65 5.00 0.55 0.00 -1.26 -4.67 105.19 110.54 2qbj n GLY 23 Ca 0.05 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.28 2qbj n GLY 23 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2qbj n ASN 24 N 0.63 0.00 0.00 1.61 6.94 -1.26 -3.23 115.26 119.95 2qbj n ASN 24 Ca 0.22 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.78 2qbj n ASN 24 Cb 0.57 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.99 2qbj n ASN 24 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2qbj n GLY 25 N 0.00 0.00 3.85 4.83 0.00 -0.67 0.12 105.19 113.32 2qbj n GLY 25 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 2qbj n GLY 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qbj s LYS 26 N 0.00 3.69 -0.29 1.61 1.02 -1.20 -4.43 119.74 120.15 2qbj s LYS 26 Ca 0.00 0.86 -0.03 0.00 0.02 0.00 0.00 55.97 56.82 2qbj s LYS 26 Cb 0.00 -2.10 0.10 0.00 -0.52 0.00 0.00 37.83 35.31 2qbj s LYS 26 CO 0.00 -0.49 0.12 0.42 -0.92 0.00 0.00 175.35 174.48 2qbj s ILE 27 N -2.93 0.15 -0.65 2.17 1.09 -1.26 -2.81 121.20 116.97 2qbj s ILE 27 Ca 0.57 -0.88 0.02 0.00 -1.10 0.00 0.00 60.65 59.26 2qbj s ILE 27 Cb -0.11 -1.12 0.16 0.00 -1.06 0.00 0.00 42.46 40.33 2qbj s ILE 27 CO 0.44 -0.69 0.44 -0.69 -0.10 0.00 0.00 174.94 174.34 2qbj s VAL 28 N 1.99 3.23 -0.30 2.92 1.01 -1.25 -1.71 120.40 126.28 2qbj s VAL 28 Ca 0.09 -3.53 -0.27 0.00 0.00 0.00 0.00 61.98 58.27 2qbj s VAL 28 Cb -0.16 -3.13 0.01 0.00 0.00 0.00 0.00 36.38 33.10 2qbj s VAL 28 CO -0.33 -0.91 0.96 -0.63 0.00 0.00 0.00 175.10 174.19 2qbj s ILE 29 N -0.66 4.64 -1.45 2.22 1.01 -0.96 -2.51 121.20 123.49 2qbj s ILE 29 Ca 0.20 1.57 -0.08 0.00 0.00 0.00 0.00 60.65 62.34 2qbj s ILE 29 Cb -0.17 -4.30 0.04 0.00 0.01 0.00 0.00 42.46 38.04 2qbj s ILE 29 CO -0.06 -0.35 0.73 0.59 0.00 0.00 0.00 174.94 175.84 2qbj n ASN 30 N 6.54 -5.24 -0.42 3.58 5.03 0.27 -0.95 115.26 124.07 2qbj n ASN 30 Ca 0.09 -0.45 -0.05 0.00 0.87 0.00 0.00 54.58 55.04 2qbj n ASN 30 Cb 0.47 -4.23 -0.02 0.00 -1.02 0.00 0.00 39.78 34.98 2qbj n ASN 30 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2qbj n GLN 31 N -4.21 -0.52 -3.78 3.52 6.02 -1.25 -5.02 117.38 112.14 2qbj n GLN 31 Ca -0.04 0.62 -0.23 0.00 -0.01 0.00 0.00 57.00 57.34 2qbj n GLN 31 Cb 0.57 -4.35 -0.04 0.00 1.02 0.00 0.00 30.24 27.45 2qbj n GLN 31 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2qbj n ARG 32 N -2.56 1.02 -3.54 -1.09 1.74 -0.12 -5.08 116.66 107.02 2qbj n ARG 32 Ca -0.05 -2.73 -0.30 0.00 -0.77 0.00 0.00 57.85 54.00 2qbj n ARG 32 Cb 0.21 0.60 -0.04 0.00 -1.02 0.00 0.00 32.46 32.22 2qbj n ARG 32 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2qbj s SER 33 N -3.20 6.49 0.11 0.55 0.15 -1.26 -2.27 113.70 114.26 2qbj s SER 33 Ca 0.07 0.65 -0.31 0.00 0.70 0.00 0.00 55.95 57.06 2qbj s SER 33 Cb -0.01 -2.12 -0.12 0.00 -1.71 0.00 0.00 66.02 62.07 2qbj s SER 33 CO 0.04 -0.05 1.51 0.25 1.20 0.00 0.00 173.24 176.20 2qbj h LEU 34 N 2.34 -1.63 -2.14 3.45 5.85 -1.71 0.15 115.31 121.62 2qbj h LEU 34 Ca -0.47 0.20 -0.06 0.00 0.84 0.00 0.00 57.88 58.39 2qbj h LEU 34 Cb 1.18 0.64 -0.03 0.00 0.37 0.00 0.00 40.66 42.81 2qbj h LEU 34 CO 0.70 -0.44 0.07 -0.62 -0.34 0.00 0.00 178.44 177.81 2qbj n GLU 35 N -5.21 1.20 -0.07 1.25 4.71 -1.26 -3.10 120.64 118.15 2qbj n GLU 35 Ca -0.05 -0.38 -0.14 0.00 -0.01 0.00 0.00 57.16 56.58 2qbj n GLU 35 Cb 0.34 -1.20 -0.05 0.00 -1.01 0.00 0.00 31.44 29.53 2qbj n GLU 35 CO 0.00 0.00 0.00 0.94 0.09 0.00 0.00 177.13 178.16 2qbj n GLN 36 N 0.27 0.32 0.09 3.49 -0.06 0.49 -3.17 117.38 118.81 2qbj n GLN 36 Ca 0.07 0.14 -0.18 0.00 -2.00 0.00 0.00 57.00 55.03 2qbj n GLN 36 Cb 0.61 -1.04 -0.10 0.00 -4.06 0.00 0.00 30.24 25.65 2qbj n GLN 36 CO 0.00 0.00 0.00 -0.92 -0.20 0.00 0.00 177.06 175.94 2qbj h TYR 37 N -0.55 0.76 0.00 3.69 3.20 -1.54 -3.34 116.97 119.20 2qbj h TYR 37 Ca -0.32 -0.47 -0.02 0.00 3.14 0.00 0.00 58.73 61.06 2qbj h TYR 37 Cb 1.20 -0.06 -0.05 0.00 1.54 0.00 0.00 36.73 39.35 2qbj h TYR 37 CO -0.08 1.32 -0.39 1.19 -1.64 0.00 0.00 178.16 178.56 2qbj n PHE 38 N -3.72 0.00 -1.73 -3.82 0.99 -1.18 -5.08 117.46 102.93 2qbj n PHE 38 Ca -0.10 -1.00 -0.42 0.00 -0.00 0.00 0.00 57.45 55.93 2qbj n PHE 38 Cb 0.94 -0.18 -0.01 0.00 -1.00 0.00 0.00 39.48 39.23 2qbj n PHE 38 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2qbj n GLY 39 N -0.88 1.12 3.78 1.37 0.00 -1.19 -2.81 105.19 106.58 2qbj n GLY 39 Ca 0.14 0.42 -0.25 0.00 0.00 0.00 0.00 46.02 46.33 2qbj n GLY 39 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2qbj n ARG 40 N 1.63 -5.34 -3.78 1.61 0.63 -1.26 -4.93 116.66 105.22 2qbj n ARG 40 Ca 0.07 0.62 -0.13 0.00 -0.92 0.00 0.00 57.85 57.50 2qbj n ARG 40 Cb 0.36 -5.35 -0.12 0.00 0.45 0.00 0.00 32.46 27.81 2qbj n ARG 40 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 2qbj s GLU 41 N -6.26 0.29 0.00 -0.14 2.02 -1.13 -5.00 118.70 108.49 2qbj s GLU 41 Ca 0.30 0.36 0.00 0.00 0.02 0.00 0.00 54.97 55.66 2qbj s GLU 41 Cb -0.15 0.13 0.00 0.00 0.10 0.00 0.00 34.13 34.21 2qbj s GLU 41 CO 0.81 -0.04 0.40 -2.37 0.02 0.00 0.00 175.26 174.08 2qbj n THR 42 N 3.00 0.20 -0.03 3.63 5.66 -1.26 -2.12 114.28 123.36 2qbj n THR 42 Ca -0.13 0.08 -0.11 0.00 -3.05 0.00 0.00 64.05 60.84 2qbj n THR 42 Cb 0.58 -1.08 -0.09 0.00 -1.55 0.00 0.00 70.33 68.19 2qbj n THR 42 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2qbj h ALA 43 N 1.30 -0.06 0.00 1.79 0.00 -1.95 -3.31 119.26 117.02 2qbj h ALA 43 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2qbj h ALA 43 Cb 0.05 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2qbj h ALA 43 CO 0.00 -0.11 0.01 2.89 0.00 0.00 0.00 179.25 182.04 2qbj n ARG 44 N -4.75 0.00 -0.04 0.00 1.85 -0.90 -1.97 116.66 110.84 2qbj n ARG 44 Ca -0.07 0.33 -0.20 0.00 -1.00 0.00 0.00 57.85 56.91 2qbj n ARG 44 Cb 0.31 -1.51 -0.13 0.00 -1.05 0.00 0.00 32.46 30.08 2qbj n ARG 44 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2qbj h MET 45 N 0.00 0.12 -0.93 2.89 -0.00 -1.74 -3.35 114.93 111.92 2qbj h MET 45 Ca 0.00 -0.20 0.14 0.00 -0.00 0.00 0.00 59.70 59.64 2qbj h MET 45 Cb 0.02 0.07 -0.09 0.00 -0.00 0.00 0.00 31.60 31.61 2qbj h MET 45 CO 0.00 1.10 0.54 -0.39 -0.00 0.00 0.00 176.91 178.16 2qbj h VAL 46 N -0.68 0.80 -0.04 -0.10 -1.51 -1.52 0.42 116.25 113.62 2qbj h VAL 46 Ca -0.23 -0.27 0.01 0.00 -1.23 0.00 0.00 66.70 64.98 2qbj h VAL 46 Cb 1.44 -0.06 -0.00 0.00 -2.13 0.00 0.00 31.29 30.54 2qbj h VAL 46 CO -0.03 0.14 0.05 -0.37 -1.23 0.00 0.00 177.57 176.13 2qbj h VAL 47 N 0.79 0.44 0.00 7.19 -1.51 -1.70 0.61 116.25 122.07 2qbj h VAL 47 Ca 0.49 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.96 2qbj h VAL 47 Cb 0.63 0.96 0.00 0.00 -2.13 0.00 0.00 31.29 30.75 2qbj h VAL 47 CO -0.33 0.00 -0.64 0.54 -1.23 0.00 0.00 177.57 175.92 2qbj n ARG 48 N -3.73 0.19 0.07 5.19 1.74 0.14 -4.30 116.66 115.96 2qbj n ARG 48 Ca -0.02 0.04 -0.11 0.00 -0.77 0.00 0.00 57.85 56.99 2qbj n ARG 48 Cb 0.14 -1.61 -0.05 0.00 -1.02 0.00 0.00 32.46 29.92 2qbj n ARG 48 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 2qbj h GLN 49 N 0.00 -0.35 0.00 5.56 4.20 -0.32 2.27 115.11 126.48 2qbj h GLN 49 Ca 0.00 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.73 2qbj h GLN 49 Cb 0.66 0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.52 2qbj h GLN 49 CO 0.00 -0.23 0.00 -0.35 -0.67 0.00 0.00 178.83 177.58 2qbj n PRO 50 N -5.34 0.03 -0.11 1.46 -0.04 -1.26 -1.87 135.00 127.86 2qbj n PRO 50 Ca -0.05 0.35 -0.19 0.00 -0.04 0.00 0.00 63.50 63.57 2qbj n PRO 50 Cb 0.26 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.12 2qbj n PRO 50 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2qbj n LEU 51 N -1.41 2.55 0.00 1.53 4.77 0.23 -3.94 117.00 120.72 2qbj n LEU 51 Ca 0.02 0.02 0.02 0.00 -0.03 0.00 0.00 56.01 56.04 2qbj n LEU 51 Cb 0.05 -0.75 0.13 0.00 -2.33 0.00 0.00 43.42 40.51 2qbj n LEU 51 CO 0.04 0.75 0.46 -0.62 -1.33 0.00 0.00 177.39 176.69 2qbj n GLU 52 N -3.46 0.09 -0.07 3.23 -0.58 0.74 0.11 120.64 120.70 2qbj n GLU 52 Ca -0.42 0.18 -0.09 0.00 -0.42 0.00 0.00 57.16 56.41 2qbj n GLU 52 Cb 0.89 -1.50 -0.09 0.00 -0.57 0.00 0.00 31.44 30.17 2qbj n GLU 52 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 2qbj n LEU 53 N -1.21 1.45 -0.28 -4.62 -0.00 -1.00 -4.62 117.00 106.73 2qbj n LEU 53 Ca 0.03 -0.04 0.08 0.00 -0.00 0.00 0.00 56.01 56.07 2qbj n LEU 53 Cb 0.03 -0.12 -0.03 0.00 -0.00 0.00 0.00 43.42 43.31 2qbj n LEU 53 CO 0.03 0.54 0.18 1.33 -0.00 0.00 0.00 177.39 179.48 2qbj n VAL 54 N -2.72 0.00 -0.62 1.96 0.24 -0.84 -5.09 118.33 111.26 2qbj n VAL 54 Ca -0.25 -0.27 0.00 0.00 -2.04 0.00 0.00 64.34 61.78 2qbj n VAL 54 Cb 0.86 1.14 0.00 0.00 -1.47 0.00 0.00 33.84 34.38 2qbj n VAL 54 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2qbj n ASP 55 N -0.45 -3.25 0.00 -1.34 8.00 0.30 -5.06 116.55 114.75 2qbj n ASP 55 Ca 0.06 0.24 0.00 0.00 0.71 0.00 0.00 54.79 55.80 2qbj n ASP 55 Cb 0.32 -1.16 0.00 0.00 -0.02 0.00 0.00 41.12 40.26 2qbj n ASP 55 CO 0.00 0.00 0.00 1.15 -0.39 0.00 0.00 177.20 177.96 2qbj n MET 56 N 0.11 0.00 0.00 -1.24 0.00 -1.25 -4.65 117.12 110.10 2qbj n MET 56 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 2qbj n MET 56 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 2qbj n MET 56 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 2qbj n VAL 57 N 0.00 0.00 -0.35 3.17 0.31 -0.91 -3.81 118.33 116.75 2qbj n VAL 57 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2qbj n VAL 57 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2qbj n VAL 57 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2qbj n GLU 58 N -0.60 -0.04 -0.04 5.55 -0.58 0.34 -3.47 120.64 121.80 2qbj n GLU 58 Ca 0.00 -0.27 -0.06 0.00 -0.42 0.00 0.00 57.16 56.41 2qbj n GLU 58 Cb 0.00 -0.75 -0.04 0.00 -0.57 0.00 0.00 31.44 30.09 2qbj n GLU 58 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2qbj n LYS 59 N -0.07 0.20 -3.70 3.49 5.02 0.94 -4.87 118.16 119.18 2qbj n LYS 59 Ca 0.00 0.05 -0.00 0.00 -2.02 0.00 0.00 58.31 56.34 2qbj n LYS 59 Cb 0.09 -1.09 -0.01 0.00 -0.02 0.00 0.00 35.03 34.00 2qbj n LYS 59 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 2qbj s LEU 60 N -5.65 -0.09 0.41 -0.35 2.34 0.32 -4.08 118.68 111.59 2qbj s LEU 60 Ca -0.11 -0.26 0.04 0.00 0.06 0.00 0.00 54.13 53.86 2qbj s LEU 60 Cb 0.03 1.69 -0.02 0.00 -0.56 0.00 0.00 46.19 47.33 2qbj s LEU 60 CO 0.18 -0.54 0.15 1.51 -1.06 0.00 0.00 176.35 176.58 2qbj s ASP 61 N -3.03 2.79 0.28 1.48 -4.77 0.53 -1.68 116.67 112.28 2qbj s ASP 61 Ca 0.15 -1.72 -0.11 0.00 -3.30 0.00 0.00 52.55 47.57 2qbj s ASP 61 Cb 0.02 0.57 0.00 0.00 -1.09 0.00 0.00 42.92 42.42 2qbj s ASP 61 CO -0.01 -0.98 0.50 -1.48 0.70 0.00 0.00 175.17 173.90 2qbj s LEU 62 N -3.61 0.44 -0.24 2.11 -0.00 -1.12 0.20 118.68 116.46 2qbj s LEU 62 Ca 0.24 -1.06 0.01 0.00 -0.00 0.00 0.00 54.13 53.31 2qbj s LEU 62 Cb 0.02 1.78 0.04 0.00 -0.00 0.00 0.00 46.19 48.03 2qbj s LEU 62 CO 0.16 -1.21 -0.11 -0.47 -0.00 0.00 0.00 176.35 174.71 2qbj s TYR 63 N -3.69 3.08 -0.12 3.48 5.04 -0.84 -3.89 117.35 120.41 2qbj s TYR 63 Ca 0.24 -1.90 -0.09 0.00 -2.44 0.00 0.00 57.07 52.88 2qbj s TYR 63 Cb -0.01 -1.98 -0.05 0.00 0.35 0.00 0.00 41.96 40.28 2qbj s TYR 63 CO 0.12 -0.81 0.20 0.42 -1.34 0.00 0.00 175.55 174.13 2qbj s ILE 64 N 1.23 5.39 -0.30 3.14 1.09 -1.04 -0.58 121.20 130.12 2qbj s ILE 64 Ca -0.02 0.35 0.01 0.00 -1.10 0.00 0.00 60.65 59.88 2qbj s ILE 64 Cb -0.17 -3.49 0.15 0.00 -1.06 0.00 0.00 42.46 37.89 2qbj s ILE 64 CO -0.07 0.56 0.34 -0.89 -0.10 0.00 0.00 174.94 174.79 2qbj s THR 65 N -0.66 -0.48 0.10 2.92 2.01 0.31 0.94 115.64 120.79 2qbj s THR 65 Ca 0.15 -0.47 0.09 0.00 0.31 0.00 0.00 61.69 61.78 2qbj s THR 65 Cb -0.13 -0.95 -0.03 0.00 0.01 0.00 0.00 72.50 71.40 2qbj s THR 65 CO 0.05 -0.42 -0.23 0.54 -0.69 0.00 0.00 174.62 173.86 2qbj s VAL 66 N 2.33 1.93 0.06 3.82 0.11 -1.26 -0.47 120.40 126.91 2qbj s VAL 66 Ca 0.10 -1.56 -0.07 0.00 -2.93 0.00 0.00 61.98 57.52 2qbj s VAL 66 Cb -0.13 -1.72 -0.01 0.00 -1.53 0.00 0.00 36.38 32.99 2qbj s VAL 66 CO -0.29 0.06 0.14 -0.54 -3.33 0.00 0.00 175.10 171.14 2qbj s LYS 67 N -1.81 0.71 0.05 1.54 3.01 -0.21 -4.95 119.74 118.07 2qbj s LYS 67 Ca 0.10 -0.84 0.00 0.00 -1.01 0.00 0.00 55.97 54.22 2qbj s LYS 67 Cb -0.10 0.28 0.00 0.00 -1.01 0.00 0.00 37.83 37.00 2qbj s LYS 67 CO 0.04 -0.20 0.00 0.41 0.51 0.00 0.00 175.35 176.12 2qbj n GLY 68 N 0.39 -2.98 1.27 -3.33 0.00 -1.26 -1.73 105.19 97.55 2qbj n GLY 68 Ca -0.17 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.63 2qbj n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qbj n GLY 69 N -1.40 0.89 0.00 -0.02 0.00 0.69 -4.04 105.19 101.31 2qbj n GLY 69 Ca 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.71 2qbj n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qbj n GLY 70 N 0.00 2.24 0.00 -0.02 0.00 -1.26 -4.93 105.19 101.22 2qbj n GLY 70 Ca 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.11 2qbj n GLY 70 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2qbj n ILE 71 N 0.00 0.00 -0.22 -0.61 -0.00 -1.26 0.26 119.36 117.52 2qbj n ILE 71 Ca 0.00 1.34 0.02 0.00 -0.00 0.00 0.00 62.75 64.11 2qbj n ILE 71 Cb 0.00 -2.07 0.14 0.00 -0.00 0.00 0.00 39.64 37.71 2qbj n ILE 71 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.55 177.32 2qbj h SER 72 N 0.00 0.19 0.45 4.38 4.64 -1.98 0.63 113.55 121.86 2qbj h SER 72 Ca 0.00 0.10 -0.01 0.00 -0.47 0.00 0.00 61.79 61.41 2qbj h SER 72 Cb 0.00 0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.16 2qbj h SER 72 CO 0.00 0.09 -0.45 1.23 -0.87 0.00 0.00 176.83 176.83 2qbj h GLY 73 N 0.38 -1.21 -0.33 -0.77 0.00 -1.81 0.35 103.07 99.69 2qbj h GLY 73 Ca 0.35 0.56 0.06 0.00 0.00 0.00 0.00 47.33 48.30 2qbj h GLY 73 CO -0.37 -0.36 -0.47 1.46 0.00 0.00 0.00 176.54 176.80 2qbj h GLN 74 N -0.89 -0.34 -0.09 4.80 7.50 0.40 0.37 115.11 126.85 2qbj h GLN 74 Ca -0.06 0.02 0.04 0.00 0.50 0.00 0.00 58.65 59.15 2qbj h GLN 74 Cb 0.78 0.08 -0.06 0.00 0.05 0.00 0.00 27.48 28.32 2qbj h GLN 74 CO -0.05 -0.23 -0.45 0.00 -1.50 0.00 0.00 178.83 176.60 2qbj h ALA 75 N 0.27 -0.68 -0.32 3.87 0.00 -0.65 -1.24 119.26 120.51 2qbj h ALA 75 Ca 0.12 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.04 2qbj h ALA 75 Cb 0.59 0.82 -0.04 0.00 0.00 0.00 0.00 17.79 19.17 2qbj h ALA 75 CO -0.58 -0.97 0.10 0.78 0.00 0.00 0.00 179.25 178.57 2qbj h GLY 76 N -0.54 0.39 0.02 0.00 0.00 0.31 -2.56 103.07 100.69 2qbj h GLY 76 Ca 0.06 -0.05 0.07 0.00 0.00 0.00 0.00 47.33 47.41 2qbj h GLY 76 CO -0.38 0.02 -0.25 0.00 0.00 0.00 0.00 176.54 175.92 2qbj h ALA 77 N 1.21 -0.07 -0.32 3.60 0.00 0.19 -1.74 119.26 122.13 2qbj h ALA 77 Ca 0.14 0.10 0.07 0.00 0.00 0.00 0.00 54.91 55.23 2qbj h ALA 77 Cb 0.13 0.55 -0.07 0.00 0.00 0.00 0.00 17.79 18.40 2qbj h ALA 77 CO -0.16 -0.65 -0.15 0.82 0.00 0.00 0.00 179.25 179.11 2qbj h ILE 78 N -0.21 0.53 -1.00 0.00 2.04 -0.96 -0.06 117.51 117.84 2qbj h ILE 78 Ca 0.17 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.23 2qbj h ILE 78 Cb 0.47 0.53 -0.11 0.00 -0.74 0.00 0.00 36.82 36.97 2qbj h ILE 78 CO -0.46 0.00 0.61 -0.09 0.00 0.00 0.00 178.15 178.22 2qbj h ARG 79 N -0.10 0.65 0.35 2.37 2.43 -0.95 0.40 114.38 119.54 2qbj h ARG 79 Ca 0.16 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.28 2qbj h ARG 79 Cb 0.35 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 2qbj h ARG 79 CO -0.39 0.43 -0.17 1.25 -1.51 0.00 0.00 179.97 179.58 2qbj h HIS 80 N 0.67 -0.44 -0.37 2.20 2.76 -0.37 -2.25 115.15 117.35 2qbj h HIS 80 Ca 0.58 -0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.76 2qbj h HIS 80 Cb 1.03 0.15 -0.02 0.00 1.55 0.00 0.00 27.41 30.12 2qbj h HIS 80 CO -0.00 -0.15 0.22 0.78 -1.30 0.00 0.00 177.93 177.47 2qbj h GLY 81 N -0.69 0.51 -0.19 5.26 0.00 -0.31 -0.16 103.07 107.50 2qbj h GLY 81 Ca -0.05 -0.16 0.03 0.00 0.00 0.00 0.00 47.33 47.15 2qbj h GLY 81 CO 0.08 0.15 -0.41 -2.22 0.00 0.00 0.00 176.54 174.14 2qbj h ILE 82 N 0.44 0.00 -0.50 2.60 2.04 -0.22 0.53 117.51 122.40 2qbj h ILE 82 Ca 0.14 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.03 2qbj h ILE 82 Cb -0.00 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.05 2qbj h ILE 82 CO -0.06 0.00 0.34 0.00 0.00 0.00 0.00 178.15 178.42 2qbj h THR 83 N -0.38 1.06 -0.31 -0.27 1.03 -1.29 -1.72 112.91 111.03 2qbj h THR 83 Ca 0.04 -0.20 -0.01 0.00 -0.01 0.00 0.00 66.41 66.22 2qbj h THR 83 Cb 0.48 0.43 -0.01 0.00 -1.07 0.00 0.00 68.15 67.98 2qbj h THR 83 CO -0.38 0.11 0.14 0.03 -0.01 0.00 0.00 175.52 175.41 2qbj h ARG 84 N 0.58 0.46 -0.45 0.00 2.47 0.88 -2.82 114.38 115.49 2qbj h ARG 84 Ca 0.20 -0.07 -0.06 0.00 -1.26 0.00 0.00 59.98 58.79 2qbj h ARG 84 Cb 0.09 -0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 28.31 2qbj h ARG 84 CO -0.05 0.45 0.05 0.00 0.56 0.00 0.00 179.97 180.97 2qbj h ALA 85 N 0.99 1.23 -0.13 0.04 0.00 0.73 -2.24 119.26 119.88 2qbj h ALA 85 Ca 0.11 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.83 2qbj h ALA 85 Cb 0.15 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2qbj h ALA 85 CO -0.01 0.52 0.50 -0.07 0.00 0.00 0.00 179.25 180.18 2qbj h LEU 86 N 0.68 0.00 -0.57 0.00 4.07 -1.07 0.36 115.31 118.78 2qbj h LEU 86 Ca 0.14 0.00 -0.15 0.00 0.08 0.00 0.00 57.88 57.95 2qbj h LEU 86 Cb 0.35 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.09 2qbj h LEU 86 CO 0.01 0.00 -0.50 -0.03 -1.08 0.00 0.00 178.44 176.84 2qbj h MET 87 N 0.00 0.57 0.00 1.13 1.85 -1.46 0.27 114.93 117.29 2qbj h MET 87 Ca 0.06 -0.33 -0.04 0.00 -0.61 0.00 0.00 59.70 58.78 2qbj h MET 87 Cb 1.06 0.03 -0.01 0.00 0.43 0.00 0.00 31.60 33.11 2qbj h MET 87 CO -0.00 0.93 -0.21 0.93 -0.40 0.00 0.00 176.91 178.16 2qbj h GLU 88 N 0.45 0.00 0.08 0.39 5.08 -0.44 -2.84 114.58 117.31 2qbj h GLU 88 Ca 0.02 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.03 2qbj h GLU 88 Cb 1.03 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.25 2qbj h GLU 88 CO 0.09 0.21 -1.95 0.98 -1.00 0.00 0.00 179.01 177.34 2qbj n TYR 89 N -3.77 1.11 -3.22 4.33 9.36 -1.07 -4.88 117.16 119.02 2qbj n TYR 89 Ca -0.02 0.27 -0.01 0.00 3.32 0.00 0.00 57.90 61.47 2qbj n TYR 89 Cb 0.32 -1.16 -0.03 0.00 -0.63 0.00 0.00 39.34 37.84 2qbj n TYR 89 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 2qbj s ASP 90 N -6.74 -0.83 0.00 2.98 3.68 0.94 -5.02 116.67 111.69 2qbj s ASP 90 Ca -0.18 0.42 0.28 0.00 2.13 0.00 0.00 52.55 55.20 2qbj s ASP 90 Cb 0.07 1.76 1.37 0.00 -1.45 0.00 0.00 42.92 44.67 2qbj s ASP 90 CO 0.78 -0.29 1.95 -0.62 0.13 0.00 0.00 175.17 177.12 2qbj n GLU 91 N 5.40 0.32 0.00 4.34 -0.58 -1.10 -3.44 120.64 125.59 2qbj n GLU 91 Ca -0.00 0.02 0.12 0.00 -0.42 0.00 0.00 57.16 56.88 2qbj n GLU 91 Cb 0.51 -1.50 0.14 0.00 -0.57 0.00 0.00 31.44 30.02 2qbj n GLU 91 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2qbj n SER 92 N -1.33 1.03 0.05 1.62 7.64 -1.26 -4.15 113.62 117.23 2qbj n SER 92 Ca 0.12 -0.82 0.11 0.00 1.01 0.00 0.00 58.87 59.29 2qbj n SER 92 Cb 0.24 0.46 0.04 0.00 -1.01 0.00 0.00 64.21 63.94 2qbj n SER 92 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qbj n LEU 93 N -1.03 0.66 0.26 -3.43 -0.00 -1.22 -4.02 117.00 108.21 2qbj n LEU 93 Ca 0.07 0.14 0.17 0.00 -0.00 0.00 0.00 56.01 56.40 2qbj n LEU 93 Cb 0.36 -0.10 0.91 0.00 -0.00 0.00 0.00 43.42 44.59 2qbj n LEU 93 CO 0.34 -0.05 1.15 0.03 -0.00 0.00 0.00 177.39 178.86 2qbj h ARG 94 N 0.00 0.00 -0.82 1.47 2.47 -1.75 -2.23 114.38 113.51 2qbj h ARG 94 Ca 0.00 0.00 0.16 0.00 -1.26 0.00 0.00 59.98 58.88 2qbj h ARG 94 Cb 0.82 0.00 -0.10 0.00 -1.65 0.00 0.00 29.97 29.04 2qbj h ARG 94 CO 0.00 0.00 0.37 1.03 0.56 0.00 0.00 179.97 181.93 2qbj h SER 95 N 0.00 0.37 0.93 7.04 0.87 -1.85 0.03 113.55 120.95 2qbj h SER 95 Ca 0.04 0.11 -0.19 0.00 -1.23 0.00 0.00 61.79 60.53 2qbj h SER 95 Cb 0.30 0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 62.30 2qbj h SER 95 CO -0.00 0.12 -1.14 -0.33 -0.53 0.00 0.00 176.83 174.95 2qbj h GLU 96 N 0.50 0.00 -0.01 2.24 4.39 -1.70 -3.05 114.58 116.94 2qbj h GLU 96 Ca 0.46 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 60.16 2qbj h GLU 96 Cb 0.73 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.38 2qbj h GLU 96 CO -0.42 0.57 0.00 -0.07 -1.16 0.00 0.00 179.01 177.94 2qbj h LEU 97 N 0.00 0.01 -0.15 1.33 3.38 -1.19 -1.65 115.31 117.04 2qbj h LEU 97 Ca -0.11 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 2qbj h LEU 97 Cb 1.68 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.42 2qbj h LEU 97 CO 0.08 0.20 0.07 -0.09 0.09 0.00 0.00 178.44 178.79 2qbj h ARG 98 N -0.18 0.22 -0.95 1.13 2.43 -1.17 -2.54 114.38 113.33 2qbj h ARG 98 Ca 0.00 -0.04 0.18 0.00 -0.81 0.00 0.00 59.98 59.32 2qbj h ARG 98 Cb 0.20 -0.04 -0.08 0.00 -0.42 0.00 0.00 29.97 29.62 2qbj h ARG 98 CO -0.00 0.29 0.60 -0.22 -1.51 0.00 0.00 179.97 179.14 2qbj h LYS 99 N 0.10 0.61 -0.65 0.20 3.64 -1.47 0.28 116.57 119.29 2qbj h LYS 99 Ca 0.05 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2qbj h LYS 99 Cb 0.15 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 2qbj h LYS 99 CO -0.01 0.41 0.00 0.00 -2.27 0.00 0.00 179.45 177.58 2qbj n ALA 100 N -2.42 3.02 -2.52 5.00 0.00 -0.63 -4.96 120.51 118.00 2qbj n ALA 100 Ca 0.20 -1.01 -0.02 0.00 0.00 0.00 0.00 53.44 52.61 2qbj n ALA 100 Cb 0.58 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 19.00 2qbj n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qbj n GLY 101 N 0.65 -3.16 2.14 0.00 0.00 0.98 -5.02 105.19 100.78 2qbj n GLY 101 Ca 0.16 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.72 2qbj n GLY 101 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2qbj n PHE 102 N 0.29 -3.87 -0.34 1.61 3.01 -0.99 -4.93 117.46 112.24 2qbj n PHE 102 Ca 0.03 1.16 0.21 0.00 1.01 0.00 0.00 57.45 59.85 2qbj n PHE 102 Cb 0.12 2.61 0.45 0.00 -0.01 0.00 0.00 39.48 42.65 2qbj n PHE 102 CO 0.00 0.00 0.00 -0.39 1.01 0.00 0.00 176.76 177.38 2qbj h VAL 103 N 0.00 0.50 -4.03 -4.37 -1.51 -1.85 -3.42 116.25 101.57 2qbj h VAL 103 Ca 0.00 -0.16 -0.54 0.00 -1.23 0.00 0.00 66.70 64.77 2qbj h VAL 103 Cb 0.00 -0.01 0.12 0.00 -2.13 0.00 0.00 31.29 29.27 2qbj h VAL 103 CO 0.00 0.09 0.59 0.42 -1.23 0.00 0.00 177.57 177.44 2qbj s THR 104 N -5.63 2.28 -0.27 7.19 -4.23 -1.26 -5.00 115.64 108.72 2qbj s THR 104 Ca -0.10 0.21 -0.07 0.00 -1.18 0.00 0.00 61.69 60.56 2qbj s THR 104 Cb 0.27 -3.11 -0.01 0.00 1.34 0.00 0.00 72.50 70.98 2qbj s THR 104 CO 0.80 0.00 0.07 -0.60 -0.54 0.00 0.00 174.62 174.35 2qbj s ARG 105 N -2.80 3.41 -0.56 3.99 3.00 -1.26 -5.03 118.95 119.70 2qbj s ARG 105 Ca 0.69 -0.64 -0.26 0.00 -1.00 0.00 0.00 55.73 54.52 2qbj s ARG 105 Cb -0.39 -3.34 -0.09 0.00 0.00 0.00 0.00 34.95 31.14 2qbj s ARG 105 CO 0.46 -0.30 2.42 -3.47 0.00 0.00 0.00 175.30 174.42 2qbj n ASP 106 N 4.90 2.18 0.30 -2.12 4.64 -1.26 -4.76 116.55 120.43 2qbj n ASP 106 Ca -0.16 -0.70 0.20 0.00 -1.38 0.00 0.00 54.79 52.75 2qbj n ASP 106 Cb 0.50 -1.59 0.95 0.00 -1.04 0.00 0.00 41.12 39.94 2qbj n ASP 106 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2qbj h ALA 107 N 18.24 1.00 -1.38 -1.67 0.00 -1.95 -3.41 119.26 130.09 2qbj h ALA 107 Ca -0.19 0.00 -0.68 0.00 0.00 0.00 0.00 54.91 54.04 2qbj h ALA 107 Cb 1.22 0.00 0.09 0.00 0.00 0.00 0.00 17.79 19.10 2qbj h ALA 107 CO 1.13 0.00 -0.08 0.54 0.00 0.00 0.00 179.25 180.85 2qbj n ARG 108 N -3.02 0.56 -3.68 0.00 1.74 -1.26 -4.92 116.66 106.07 2qbj n ARG 108 Ca -0.01 0.20 -0.10 0.00 -0.77 0.00 0.00 57.85 57.16 2qbj n ARG 108 Cb 0.17 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 30.07 2qbj n ARG 108 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 2qbj s GLN 109 N -0.71 1.09 0.40 5.56 -0.44 -1.26 -4.12 119.66 120.18 2qbj s GLN 109 Ca 0.71 -0.78 -0.26 0.00 -2.50 0.00 0.00 55.36 52.54 2qbj s GLN 109 Cb -0.93 0.46 -0.11 0.00 -1.64 0.00 0.00 33.01 30.79 2qbj s GLN 109 CO 0.56 -0.43 1.19 0.28 0.50 0.00 0.00 175.29 177.39 2qbj n VAL 110 N -0.22 2.40 -3.23 1.34 0.31 -1.26 -4.95 118.33 112.73 2qbj n VAL 110 Ca -0.15 -0.50 -0.39 0.00 -0.01 0.00 0.00 64.34 63.29 2qbj n VAL 110 Cb 0.63 -1.42 -0.07 0.00 -0.91 0.00 0.00 33.84 32.08 2qbj n VAL 110 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2qbj s GLU 111 N -2.06 4.16 0.34 5.55 2.56 -1.26 -5.04 118.70 122.95 2qbj s GLU 111 Ca 0.60 0.42 -0.29 0.00 0.00 0.00 0.00 54.97 55.71 2qbj s GLU 111 Cb -0.54 -3.59 -0.11 0.00 2.00 0.00 0.00 34.13 31.89 2qbj s GLU 111 CO 0.58 -0.21 1.46 -0.98 -0.56 0.00 0.00 175.26 175.55 2qbj s ARG 112 N 1.85 4.18 -0.32 4.30 1.70 -1.26 -4.80 118.95 124.60 2qbj s ARG 112 Ca 0.24 2.46 -0.29 0.00 -0.47 0.00 0.00 55.73 57.67 2qbj s ARG 112 Cb -0.15 -3.02 0.01 0.00 -0.57 0.00 0.00 34.95 31.22 2qbj s ARG 112 CO 0.09 -0.46 1.19 0.21 -1.08 0.00 0.00 175.30 175.26 2qbj s LYS 113 N -1.57 3.97 0.48 3.89 2.20 -1.26 -4.45 119.74 123.00 2qbj s LYS 113 Ca 0.54 1.13 -0.18 0.00 -0.36 0.00 0.00 55.97 57.10 2qbj s LYS 113 Cb -0.45 -3.82 -0.09 0.00 -1.51 0.00 0.00 37.83 31.96 2qbj s LYS 113 CO 0.56 -1.05 0.98 0.15 -0.36 0.00 0.00 175.35 175.63 2qbj s LYS 114 N 3.97 4.04 0.60 4.03 3.01 -1.26 -4.80 119.74 129.33 2qbj s LYS 114 Ca 0.51 1.04 -0.19 0.00 -1.01 0.00 0.00 55.97 56.32 2qbj s LYS 114 Cb -0.14 -2.15 -0.03 0.00 -1.01 0.00 0.00 37.83 34.50 2qbj s LYS 114 CO 0.20 -0.20 1.21 0.54 0.51 0.00 0.00 175.35 177.62 2qbj s VAL 115 N -2.43 2.60 0.00 3.17 0.11 -1.26 -3.33 120.40 119.26 2qbj s VAL 115 Ca 0.60 0.37 0.00 0.00 -2.93 0.00 0.00 61.98 60.02 2qbj s VAL 115 Cb -0.10 -3.14 0.00 0.00 -1.53 0.00 0.00 36.38 31.61 2qbj s VAL 115 CO 0.24 -0.08 0.00 0.61 -3.33 0.00 0.00 175.10 172.54 2qbj n GLY 116 N 0.52 2.66 0.00 6.54 0.00 -1.26 -4.99 105.19 108.65 2qbj n GLY 116 Ca 0.14 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.54 2qbj n GLY 116 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qbj n LEU 117 N 0.00 0.00 0.00 0.99 4.77 -1.21 -4.79 117.00 116.76 2qbj n LEU 117 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2qbj n LEU 117 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2qbj n LEU 117 CO 0.00 -0.71 -0.09 -1.14 -1.33 0.00 0.00 177.39 174.13 2qbj n ARG 118 N -1.10 4.93 -2.70 3.23 0.63 0.28 -4.87 116.66 117.07 2qbj n ARG 118 Ca 0.00 0.00 -0.07 0.00 -0.92 0.00 0.00 57.85 56.86 2qbj n ARG 118 Cb 0.00 -0.53 0.11 0.00 0.45 0.00 0.00 32.46 32.49 2qbj n ARG 118 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 2qbj n LYS 119 N -0.94 1.09 0.00 -0.14 4.81 -1.19 -4.92 118.16 116.87 2qbj n LYS 119 Ca 0.00 -1.73 0.00 0.00 -0.87 0.00 0.00 58.31 55.71 2qbj n LYS 119 Cb 0.00 -0.13 0.00 0.00 0.02 0.00 0.00 35.03 34.92 2qbj n LYS 119 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2qbj n ALA 120 N -0.49 0.00 0.00 3.14 0.00 -1.26 -3.69 120.51 118.20 2qbj n ALA 120 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2qbj n ALA 120 Cb 0.82 -0.21 0.00 0.00 0.00 0.00 0.00 19.45 20.06 2qbj n ALA 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qbj n ARG 121 N -1.63 0.00 -2.06 0.00 5.12 -1.26 -4.63 116.66 112.19 2qbj n ARG 121 Ca 0.00 0.00 -0.43 0.00 -1.93 0.00 0.00 57.85 55.49 2qbj n ARG 121 Cb 0.00 -0.24 -0.03 0.00 -1.16 0.00 0.00 32.46 31.04 2qbj n ARG 121 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 2qbj s ARG 122 N -1.00 3.52 -0.20 5.56 3.52 -1.24 -4.89 118.95 124.23 2qbj s ARG 122 Ca 0.00 1.48 -0.08 0.00 -0.13 0.00 0.00 55.73 57.00 2qbj s ARG 122 Cb 0.00 -4.13 -0.04 0.00 -1.56 0.00 0.00 34.95 29.22 2qbj s ARG 122 CO 0.00 -1.63 0.09 1.03 -0.81 0.00 0.00 175.30 173.98 2qbj s ARG 123 N 5.24 4.03 -0.03 5.12 0.52 -1.26 0.10 118.95 132.68 2qbj s ARG 123 Ca 0.76 -0.31 -0.34 0.00 -0.52 0.00 0.00 55.73 55.32 2qbj s ARG 123 Cb -0.23 -3.31 -0.12 0.00 0.52 0.00 0.00 34.95 31.81 2qbj s ARG 123 CO 0.32 0.24 1.81 -0.35 0.02 0.00 0.00 175.30 177.34 2qbj n PRO 124 N 3.66 2.16 -1.60 3.54 -0.04 -1.26 -4.90 135.00 136.55 2qbj n PRO 124 Ca -0.16 0.79 -0.41 0.00 -0.04 0.00 0.00 63.50 63.68 2qbj n PRO 124 Cb 0.52 -2.61 0.02 0.00 -0.04 0.00 0.00 33.50 31.39 2qbj n PRO 124 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2qbj n GLN 125 N 5.85 1.24 -0.00 0.54 10.64 -1.26 -4.91 117.38 129.48 2qbj n GLN 125 Ca 0.21 0.45 0.06 0.00 -1.83 0.00 0.00 57.00 55.89 2qbj n GLN 125 Cb 0.29 -2.05 -0.08 0.00 -0.86 0.00 0.00 30.24 27.54 2qbj n GLN 125 CO 0.00 0.00 0.00 1.97 -1.83 0.00 0.00 177.06 177.20 2qbj n PHE 126 N -0.75 0.00 0.00 2.61 1.16 -1.26 -5.01 117.46 114.21 2qbj n PHE 126 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.68 2qbj n PHE 126 Cb 0.41 -0.18 0.00 0.00 -1.61 0.00 0.00 39.48 38.10 2qbj n PHE 126 CO 0.00 0.00 0.00 -1.13 -1.87 0.00 0.00 176.76 173.76 2qbj n SER 127 N -1.69 0.00 -4.70 5.98 3.41 -1.26 -4.70 113.62 110.66 2qbj n SER 127 Ca -0.01 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.17 2qbj n SER 127 Cb 0.26 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.17 2qbj n SER 127 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2qbj n LYS 128 N 0.00 2.70 0.00 4.33 3.00 -1.26 -5.35 118.16 121.58 2qbj n LYS 128 Ca 0.00 0.98 0.01 0.00 -0.00 0.00 0.00 58.31 59.30 2qbj n LYS 128 Cb 0.00 -2.84 0.01 0.00 0.00 0.00 0.00 35.03 32.19 2qbj n LYS 128 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27