#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbd n ARG 3 N 0.00 0.00 -1.48 -0.14 0.63 -1.26 -5.09 116.66 109.33 2qbd n ARG 3 Ca 0.00 0.00 -0.47 0.00 -0.92 0.00 0.00 57.85 56.46 2qbd n ARG 3 Cb 0.00 -0.20 -0.02 0.00 0.45 0.00 0.00 32.46 32.68 2qbd n ARG 3 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 2qbd n ARG 4 N -3.17 0.55 -3.02 -0.14 3.00 -1.26 -4.97 116.66 107.66 2qbd n ARG 4 Ca 0.00 0.19 -0.00 0.00 -0.00 0.00 0.00 57.85 58.04 2qbd n ARG 4 Cb 0.08 -1.35 -0.00 0.00 0.00 0.00 0.00 32.46 31.19 2qbd n ARG 4 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 2qbd s VAL 5 N -1.02 -0.84 0.00 5.15 -7.23 -1.26 -5.07 120.40 110.14 2qbd s VAL 5 Ca 0.62 -0.22 0.00 0.00 -1.81 0.00 0.00 61.98 60.57 2qbd s VAL 5 Cb -0.84 0.00 0.00 0.00 0.56 0.00 0.00 36.38 36.10 2qbd s VAL 5 CO 0.58 0.00 0.00 2.30 -0.31 0.00 0.00 175.10 177.67 2qbd n ILE 6 N 3.90 0.00 0.00 -0.62 -5.35 -1.26 -5.11 119.36 110.92 2qbd n ILE 6 Ca 0.12 0.24 0.00 0.00 -0.27 0.00 0.00 62.75 62.84 2qbd n ILE 6 Cb 0.58 -1.22 0.00 0.00 -1.74 0.00 0.00 39.64 37.27 2qbd n ILE 6 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2qbd n GLY 7 N 2.17 -2.12 0.00 3.28 0.00 -1.26 -5.15 105.19 102.11 2qbd n GLY 7 Ca 0.00 0.70 0.00 0.00 0.00 0.00 0.00 46.02 46.72 2qbd n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qbd n GLN 8 N 0.00 0.00 -1.69 1.61 10.64 -1.26 -5.10 117.38 121.59 2qbd n GLN 8 Ca 0.00 0.00 -0.42 0.00 -1.83 0.00 0.00 57.00 54.75 2qbd n GLN 8 Cb 0.00 0.00 -0.03 0.00 -0.86 0.00 0.00 30.24 29.35 2qbd n GLN 8 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.06 175.73 2qbd s ARG 9 N -0.73 3.03 0.28 2.61 3.52 -1.26 -4.91 118.95 121.49 2qbd s ARG 9 Ca 0.00 1.81 -0.30 0.00 -0.13 0.00 0.00 55.73 57.11 2qbd s ARG 9 Cb 0.00 -4.37 -0.10 0.00 -1.56 0.00 0.00 34.95 28.92 2qbd s ARG 9 CO 0.00 -2.22 1.43 0.21 -0.81 0.00 0.00 175.30 173.91 2qbd s LYS 10 N 6.47 4.26 0.28 5.12 2.20 -1.26 -5.02 119.74 131.79 2qbd s LYS 10 Ca 0.96 2.33 0.09 0.00 -0.36 0.00 0.00 55.97 58.98 2qbd s LYS 10 Cb -0.29 -3.08 -0.04 0.00 -1.51 0.00 0.00 37.83 32.91 2qbd s LYS 10 CO 0.33 -0.40 0.06 0.96 -0.36 0.00 0.00 175.35 175.94 2qbd s ILE 11 N -0.34 3.46 0.01 5.43 -5.25 -1.26 -5.11 121.20 118.13 2qbd s ILE 11 Ca 0.57 -1.79 -0.24 0.00 -0.99 0.00 0.00 60.65 58.19 2qbd s ILE 11 Cb -0.42 -2.95 -0.05 0.00 2.95 0.00 0.00 42.46 41.99 2qbd s ILE 11 CO 0.47 -0.32 0.73 -0.22 -1.79 0.00 0.00 174.94 173.81 2qbd s LEU 12 N -3.74 4.41 1.08 0.37 1.98 -1.26 -5.01 118.68 116.51 2qbd s LEU 12 Ca 0.33 1.35 -0.15 0.00 -2.89 0.00 0.00 54.13 52.76 2qbd s LEU 12 Cb -0.06 -3.16 0.14 0.00 0.66 0.00 0.00 46.19 43.78 2qbd s LEU 12 CO 0.21 -0.01 0.42 -0.81 -1.89 0.00 0.00 176.35 174.27 2qbd n PRO 13 N 3.08 -1.46 -1.84 0.98 -0.04 -1.26 -4.82 135.00 129.64 2qbd n PRO 13 Ca -0.03 -0.40 -0.41 0.00 -0.04 0.00 0.00 63.50 62.63 2qbd n PRO 13 Cb 0.51 -1.90 -0.01 0.00 -0.04 0.00 0.00 33.50 32.06 2qbd n PRO 13 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2qbd s ASP 14 N -2.07 6.42 0.00 3.54 3.68 -1.24 -4.74 116.67 122.26 2qbd s ASP 14 Ca 0.60 2.93 0.18 0.00 2.13 0.00 0.00 52.55 58.38 2qbd s ASP 14 Cb -0.18 -2.64 0.94 0.00 -1.45 0.00 0.00 42.92 39.58 2qbd s ASP 14 CO 0.66 -0.85 1.50 -0.81 0.13 0.00 0.00 175.17 175.80 2qbd n PRO 15 N 1.60 0.34 -0.00 4.34 -0.04 -1.26 0.34 135.00 140.32 2qbd n PRO 15 Ca 0.05 0.09 -0.01 0.00 -0.04 0.00 0.00 63.50 63.59 2qbd n PRO 15 Cb 0.39 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.34 2qbd n PRO 15 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2qbd n LYS 16 N -1.20 0.02 -0.00 0.54 4.81 -1.26 -4.84 118.16 116.23 2qbd n LYS 16 Ca 0.10 0.01 0.04 0.00 -0.87 0.00 0.00 58.31 57.58 2qbd n LYS 16 Cb 0.12 -0.77 -0.05 0.00 0.02 0.00 0.00 35.03 34.34 2qbd n LYS 16 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 2qbd n PHE 17 N -2.79 0.00 -3.09 5.64 3.01 -1.25 -5.06 117.46 113.93 2qbd n PHE 17 Ca -0.02 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.33 2qbd n PHE 17 Cb 0.51 -0.11 0.05 0.00 -0.01 0.00 0.00 39.48 39.93 2qbd n PHE 17 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2qbd n GLY 18 N 1.76 -1.05 3.01 1.37 0.00 0.15 -4.84 105.19 105.59 2qbd n GLY 18 Ca -0.00 0.51 -0.29 0.00 0.00 0.00 0.00 46.02 46.23 2qbd n GLY 18 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qbd s SER 19 N -3.28 2.54 0.09 1.61 1.04 -1.26 -4.42 113.70 110.01 2qbd s SER 19 Ca 0.35 -0.44 -0.24 0.00 0.48 0.00 0.00 55.95 56.09 2qbd s SER 19 Cb -0.05 -1.10 -0.09 0.00 0.10 0.00 0.00 66.02 64.88 2qbd s SER 19 CO 0.69 -0.05 1.40 -0.33 0.98 0.00 0.00 173.24 175.92 2qbd h GLU 20 N 7.94 -0.38 -0.66 4.02 5.08 -1.93 0.96 114.58 129.60 2qbd h GLU 20 Ca -0.35 0.03 0.13 0.00 -1.00 0.00 0.00 59.36 58.17 2qbd h GLU 20 Cb 1.14 0.09 -0.12 0.00 0.50 0.00 0.00 28.75 30.36 2qbd h GLU 20 CO 0.50 -0.26 -0.14 1.37 -1.00 0.00 0.00 179.01 179.48 2qbd h LEU 21 N -0.40 -0.57 -0.02 1.33 -0.00 -1.98 0.01 115.31 113.68 2qbd h LEU 21 Ca 0.03 0.19 0.00 0.00 -0.00 0.00 0.00 57.88 58.11 2qbd h LEU 21 Cb 0.48 0.39 -0.00 0.00 -0.00 0.00 0.00 40.66 41.53 2qbd h LEU 21 CO -0.34 -0.21 -0.01 0.25 -0.00 0.00 0.00 178.44 178.13 2qbd h LEU 22 N 0.01 -0.03 -0.14 0.17 6.46 -1.69 -2.57 115.31 117.52 2qbd h LEU 22 Ca 0.32 0.01 0.04 0.00 -0.12 0.00 0.00 57.88 58.13 2qbd h LEU 22 Cb 0.50 0.02 -0.07 0.00 -0.73 0.00 0.00 40.66 40.38 2qbd h LEU 22 CO -0.67 -0.02 -0.49 0.00 -0.62 0.00 0.00 178.44 176.65 2qbd h ALA 23 N 1.00 -0.74 -0.37 1.25 0.00 0.27 -0.56 119.26 120.11 2qbd h ALA 23 Ca 0.01 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 54.97 2qbd h ALA 23 Cb 0.03 0.91 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 2qbd h ALA 23 CO -0.02 -1.01 0.26 -0.22 0.00 0.00 0.00 179.25 178.25 2qbd h LYS 24 N -0.54 0.11 -0.43 0.00 3.64 -1.17 0.82 116.57 119.00 2qbd h LYS 24 Ca 0.06 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.34 2qbd h LYS 24 Cb 0.66 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.44 2qbd h LYS 24 CO -0.42 0.07 -0.09 0.35 -2.27 0.00 0.00 179.45 177.09 2qbd h PHE 25 N 0.12 0.83 0.00 1.91 3.57 -0.72 -0.92 116.94 121.73 2qbd h PHE 25 Ca 0.17 -0.14 0.00 0.00 3.53 0.00 0.00 57.97 61.53 2qbd h PHE 25 Cb 0.53 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.06 2qbd h PHE 25 CO -0.00 0.82 0.00 1.33 -2.23 0.00 0.00 178.31 178.23 2qbd n VAL 26 N -4.18 0.09 -0.12 1.41 0.24 0.26 -3.16 118.33 112.87 2qbd n VAL 26 Ca 0.02 0.02 -0.26 0.00 -2.04 0.00 0.00 64.34 62.08 2qbd n VAL 26 Cb 0.35 -0.65 -0.11 0.00 -1.47 0.00 0.00 33.84 31.96 2qbd n VAL 26 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2qbd n ASN 27 N -1.09 1.95 -0.23 -1.34 5.03 -0.41 -3.61 115.26 115.56 2qbd n ASN 27 Ca 0.16 0.27 0.15 0.00 0.87 0.00 0.00 54.58 56.03 2qbd n ASN 27 Cb 0.11 -0.79 0.46 0.00 -1.02 0.00 0.00 39.78 38.54 2qbd n ASN 27 CO 0.00 0.00 0.00 0.40 -1.83 0.00 0.00 177.26 175.83 2qbd h ILE 28 N -0.77 0.77 0.00 2.41 1.08 -1.36 0.27 117.51 119.91 2qbd h ILE 28 Ca -0.59 -0.18 -0.16 0.00 -0.39 0.00 0.00 64.86 63.53 2qbd h ILE 28 Cb 1.63 0.20 -0.02 0.00 -3.07 0.00 0.00 36.82 35.55 2qbd h ILE 28 CO -0.30 0.10 -0.78 0.25 -0.69 0.00 0.00 178.15 176.73 2qbd h LEU 29 N 0.52 0.00 -9.62 1.44 6.46 -1.74 -3.45 115.31 108.91 2qbd h LEU 29 Ca 0.44 0.00 -0.57 0.00 -0.12 0.00 0.00 57.88 57.63 2qbd h LEU 29 Cb 0.91 0.00 0.08 0.00 -0.73 0.00 0.00 40.66 40.93 2qbd h LEU 29 CO -0.18 0.78 0.67 0.80 -0.62 0.00 0.00 178.44 179.89 2qbd n MET 30 N -3.52 2.16 -4.32 1.25 1.56 0.94 -4.94 117.12 110.25 2qbd n MET 30 Ca -0.00 0.77 -0.22 0.00 -0.27 0.00 0.00 57.70 57.97 2qbd n MET 30 Cb 0.78 -2.45 -0.12 0.00 2.15 0.00 0.00 33.22 33.58 2qbd n MET 30 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 175.97 175.78 2qbd s VAL 31 N -0.02 1.79 -0.71 1.12 0.11 -1.26 -4.76 120.40 116.67 2qbd s VAL 31 Ca 0.68 -1.83 -0.05 0.00 -2.93 0.00 0.00 61.98 57.85 2qbd s VAL 31 Cb -0.62 -1.77 0.04 0.00 -1.53 0.00 0.00 36.38 32.50 2qbd s VAL 31 CO 0.49 -0.25 0.17 0.47 -3.33 0.00 0.00 175.10 172.64 2qbd n ASP 32 N 0.49 -2.25 -3.68 3.54 10.43 -1.26 -0.52 116.55 123.31 2qbd n ASP 32 Ca -0.15 0.05 -0.23 0.00 2.57 0.00 0.00 54.79 57.03 2qbd n ASP 32 Cb 0.56 -1.97 0.05 0.00 1.84 0.00 0.00 41.12 41.60 2qbd n ASP 32 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2qbd n GLY 33 N -0.76 -0.38 2.51 0.44 0.00 -1.26 -4.93 105.19 100.81 2qbd n GLY 33 Ca -0.02 0.15 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 2qbd n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qbd n LYS 34 N -4.42 2.80 0.28 1.61 5.02 0.33 -4.90 118.16 118.87 2qbd n LYS 34 Ca -0.19 -4.68 0.18 0.00 -2.02 0.00 0.00 58.31 51.60 2qbd n LYS 34 Cb 0.63 -2.29 0.92 0.00 -0.02 0.00 0.00 35.03 34.28 2qbd n LYS 34 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2qbd h LYS 35 N 4.23 0.00 0.00 1.97 3.64 -1.92 -2.86 116.57 121.63 2qbd h LYS 35 Ca 0.20 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.58 2qbd h LYS 35 Cb 0.64 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 2qbd h LYS 35 CO 0.89 0.00 -0.00 0.66 -2.27 0.00 0.00 179.45 178.73 2qbd h SER 36 N 0.00 -0.00 -0.75 4.20 4.64 -1.97 -2.59 113.55 117.07 2qbd h SER 36 Ca 0.04 0.00 0.16 0.00 -0.47 0.00 0.00 61.79 61.52 2qbd h SER 36 Cb 0.47 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.42 2qbd h SER 36 CO -0.00 -0.00 -0.08 0.74 -0.87 0.00 0.00 176.83 176.62 2qbd h THR 37 N -0.01 0.30 -0.25 2.95 2.02 -1.96 -0.92 112.91 115.05 2qbd h THR 37 Ca -0.00 -0.02 0.05 0.00 0.77 0.00 0.00 66.41 67.21 2qbd h THR 37 Cb 0.00 0.24 -0.07 0.00 -1.74 0.00 0.00 68.15 66.58 2qbd h THR 37 CO 0.00 0.01 -0.49 0.00 0.37 0.00 0.00 175.52 175.41 2qbd h ALA 38 N 1.72 -0.69 -0.82 6.16 0.00 -1.59 -1.50 119.26 122.55 2qbd h ALA 38 Ca 0.39 -0.01 0.17 0.00 0.00 0.00 0.00 54.91 55.47 2qbd h ALA 38 Cb 0.66 0.95 -0.15 0.00 0.00 0.00 0.00 17.79 19.24 2qbd h ALA 38 CO -0.71 -0.99 -0.16 0.93 0.00 0.00 0.00 179.25 178.32 2qbd h GLU 39 N -0.47 0.01 -0.73 0.00 5.08 -0.75 0.30 114.58 118.03 2qbd h GLU 39 Ca 0.08 -0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.51 2qbd h GLU 39 Cb 0.63 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.82 2qbd h GLU 39 CO -0.49 0.01 0.40 0.77 -1.00 0.00 0.00 179.01 178.70 2qbd h SER 40 N 0.01 0.58 0.43 1.42 0.02 -1.07 -1.64 113.55 113.31 2qbd h SER 40 Ca 0.41 0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 61.38 2qbd h SER 40 Cb 0.65 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.13 2qbd h SER 40 CO -0.83 0.36 -0.21 0.40 -1.14 0.00 0.00 176.83 175.41 2qbd h ILE 41 N 0.71 0.57 -0.83 3.27 2.04 0.09 0.60 117.51 123.96 2qbd h ILE 41 Ca 0.34 -0.15 0.18 0.00 1.00 0.00 0.00 64.86 66.22 2qbd h ILE 41 Cb 0.27 0.65 -0.11 0.00 -0.74 0.00 0.00 36.82 36.88 2qbd h ILE 41 CO -0.22 0.03 0.35 0.58 0.00 0.00 0.00 178.15 178.89 2qbd h VAL 42 N -0.67 0.58 0.20 1.67 2.07 -0.82 -2.00 116.25 117.28 2qbd h VAL 42 Ca -0.06 -0.15 -0.32 0.00 0.82 0.00 0.00 66.70 66.99 2qbd h VAL 42 Cb 0.49 0.10 0.02 0.00 -1.52 0.00 0.00 31.29 30.39 2qbd h VAL 42 CO 0.10 0.08 -1.42 1.88 0.02 0.00 0.00 177.57 178.23 2qbd h TYR 43 N 0.44 0.78 0.00 1.57 0.05 -1.15 -0.30 116.97 118.36 2qbd h TYR 43 Ca 0.48 -0.57 0.00 0.00 0.05 0.00 0.00 58.73 58.69 2qbd h TYR 43 Cb 0.81 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.52 2qbd h TYR 43 CO -0.15 1.46 0.00 0.45 -1.05 0.00 0.00 178.16 178.87 2qbd n SER 44 N -3.64 0.16 -0.04 3.88 2.88 0.21 -1.05 113.62 116.02 2qbd n SER 44 Ca -0.14 0.56 -0.08 0.00 -1.33 0.00 0.00 58.87 57.88 2qbd n SER 44 Cb 1.07 -0.59 -0.03 0.00 -0.75 0.00 0.00 64.21 63.92 2qbd n SER 44 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2qbd n ALA 45 N -1.57 2.20 -0.18 -1.46 0.00 -0.82 -4.28 120.51 114.41 2qbd n ALA 45 Ca 0.01 -0.35 0.07 0.00 0.00 0.00 0.00 53.44 53.17 2qbd n ALA 45 Cb 0.08 0.36 0.36 0.00 0.00 0.00 0.00 19.45 20.25 2qbd n ALA 45 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2qbd h LEU 46 N -0.19 0.65 -0.30 0.00 5.85 -0.94 -0.36 115.31 120.01 2qbd h LEU 46 Ca -0.21 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.45 2qbd h LEU 46 Cb 1.23 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.11 2qbd h LEU 46 CO -0.09 0.41 -0.09 -0.08 -0.34 0.00 0.00 178.44 178.25 2qbd h GLU 47 N 0.73 0.59 -0.00 1.25 4.22 -1.32 -2.94 114.58 117.12 2qbd h GLU 47 Ca 0.31 -0.23 -0.04 0.00 0.08 0.00 0.00 59.36 59.48 2qbd h GLU 47 Cb 0.29 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 2qbd h GLU 47 CO -0.11 0.79 -0.19 1.15 -2.18 0.00 0.00 179.01 178.47 2qbd h THR 48 N 0.36 1.14 0.71 0.32 2.02 -1.41 -0.94 112.91 115.11 2qbd h THR 48 Ca 0.07 -0.67 -0.03 0.00 0.77 0.00 0.00 66.41 66.55 2qbd h THR 48 Cb 0.58 1.36 0.01 0.00 -1.74 0.00 0.00 68.15 68.36 2qbd h THR 48 CO 0.03 0.19 -0.34 0.25 0.37 0.00 0.00 175.52 176.03 2qbd h LEU 49 N 0.01 -0.80 -2.08 2.58 6.46 -0.94 -2.62 115.31 117.92 2qbd h LEU 49 Ca -0.00 -0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.75 2qbd h LEU 49 Cb 0.35 0.21 -0.00 0.00 -0.73 0.00 0.00 40.66 40.48 2qbd h LEU 49 CO 0.03 -0.48 -0.06 0.00 -0.62 0.00 0.00 178.44 177.31 2qbd h ALA 50 N -0.95 1.65 -0.03 1.25 0.00 -1.42 0.37 119.26 120.13 2qbd h ALA 50 Ca -0.10 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.77 2qbd h ALA 50 Cb 0.76 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 2qbd h ALA 50 CO 0.16 0.07 0.03 0.37 0.00 0.00 0.00 179.25 179.89 2qbd h GLN 51 N 0.00 0.00 0.00 0.00 -0.00 -0.80 0.30 115.11 114.61 2qbd h GLN 51 Ca -0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.62 2qbd h GLN 51 Cb 0.12 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 27.60 2qbd h GLN 51 CO 0.01 0.00 -0.72 0.54 0.00 0.00 0.00 178.83 178.66 2qbd n ARG 52 N -3.74 0.30 -0.12 1.69 1.74 0.03 -4.57 116.66 111.99 2qbd n ARG 52 Ca -0.02 0.12 0.26 0.00 -0.77 0.00 0.00 57.85 57.44 2qbd n ARG 52 Cb 0.12 -1.02 0.71 0.00 -1.02 0.00 0.00 32.46 31.25 2qbd n ARG 52 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2qbd h SER 53 N -0.55 0.00 0.00 0.55 4.64 -0.43 -3.44 113.55 114.31 2qbd h SER 53 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 2qbd h SER 53 Cb 0.65 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 2qbd h SER 53 CO -0.03 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.54 2qbd n GLY 54 N -1.69 0.73 3.87 -0.77 0.00 0.11 -5.00 105.19 102.43 2qbd n GLY 54 Ca 0.16 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.97 2qbd n GLY 54 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qbd s LYS 55 N -0.24 2.60 0.36 1.61 -2.85 -1.25 -5.02 119.74 114.94 2qbd s LYS 55 Ca 0.00 -1.46 -0.27 0.00 -1.00 0.00 0.00 55.97 53.24 2qbd s LYS 55 Cb 0.00 -2.42 -0.12 0.00 -2.06 0.00 0.00 37.83 33.23 2qbd s LYS 55 CO 0.00 -0.11 1.23 0.45 0.10 0.00 0.00 175.35 177.02 2qbd n SER 56 N -1.50 2.43 -0.35 0.03 2.88 -1.26 -4.45 113.62 111.39 2qbd n SER 56 Ca 0.02 1.17 0.28 0.00 -1.33 0.00 0.00 58.87 59.01 2qbd n SER 56 Cb 0.61 -1.45 0.57 0.00 -0.75 0.00 0.00 64.21 63.18 2qbd n SER 56 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 2qbd h GLU 57 N 2.30 0.27 0.07 -1.46 3.07 -1.96 0.16 114.58 117.02 2qbd h GLU 57 Ca -0.46 -0.02 -0.11 0.00 -0.50 0.00 0.00 59.36 58.28 2qbd h GLU 57 Cb 1.30 -0.06 0.01 0.00 -0.84 0.00 0.00 28.75 29.16 2qbd h GLU 57 CO 0.61 0.18 -0.48 -0.07 -1.40 0.00 0.00 179.01 177.85 2qbd h LEU 58 N 0.28 0.29 -1.44 1.33 3.38 -1.95 -0.14 115.31 117.06 2qbd h LEU 58 Ca 0.65 -0.93 -0.05 0.00 0.09 0.00 0.00 57.88 57.63 2qbd h LEU 58 Cb 1.85 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 42.50 2qbd h LEU 58 CO -0.29 1.21 -0.25 -0.33 0.09 0.00 0.00 178.44 178.86 2qbd h GLU 59 N -0.57 0.00 0.05 1.13 5.08 -1.76 0.94 114.58 119.45 2qbd h GLU 59 Ca -0.08 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2qbd h GLU 59 Cb 1.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.59 2qbd h GLU 59 CO 0.09 0.25 -0.02 0.00 -1.00 0.00 0.00 179.01 178.33 2qbd h ALA 60 N 1.75 -0.07 -0.60 3.43 0.00 -0.78 -2.79 119.26 120.20 2qbd h ALA 60 Ca -0.00 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.61 2qbd h ALA 60 Cb 0.58 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 2qbd h ALA 60 CO 0.03 -0.14 0.39 0.35 0.00 0.00 0.00 179.25 179.88 2qbd h PHE 61 N -0.86 0.74 -0.33 0.00 3.57 -0.77 -2.58 116.94 116.69 2qbd h PHE 61 Ca -0.01 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.59 2qbd h PHE 61 Cb 0.65 -0.25 -0.08 0.00 2.79 0.00 0.00 35.95 39.07 2qbd h PHE 61 CO 0.16 0.45 -0.20 1.49 -2.23 0.00 0.00 178.31 177.97 2qbd h GLU 62 N 0.79 -0.15 -0.48 1.11 4.22 0.84 -1.11 114.58 119.80 2qbd h GLU 62 Ca 0.23 0.01 0.09 0.00 0.08 0.00 0.00 59.36 59.77 2qbd h GLU 62 Cb -0.05 0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.15 2qbd h GLU 62 CO -0.07 -0.10 -0.05 0.28 -2.18 0.00 0.00 179.01 176.90 2qbd h VAL 63 N -0.16 0.58 -1.07 0.32 2.07 -1.18 0.23 116.25 117.05 2qbd h VAL 63 Ca 0.17 -0.02 0.29 0.00 0.82 0.00 0.00 66.70 67.96 2qbd h VAL 63 Cb 0.42 0.51 -0.07 0.00 -1.52 0.00 0.00 31.29 30.63 2qbd h VAL 63 CO -0.43 0.01 0.73 0.00 0.02 0.00 0.00 177.57 177.90 2qbd h ALA 64 N 1.45 2.67 0.13 1.67 0.00 -0.93 0.22 119.26 124.46 2qbd h ALA 64 Ca 0.24 0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.85 2qbd h ALA 64 Cb 0.36 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 2qbd h ALA 64 CO -0.44 -1.02 -1.51 -0.07 0.00 0.00 0.00 179.25 176.21 2qbd h LEU 65 N 0.18 0.43 -0.60 0.00 4.07 -0.31 -3.26 115.31 115.82 2qbd h LEU 65 Ca 0.55 -0.57 0.00 0.00 0.08 0.00 0.00 57.88 57.94 2qbd h LEU 65 Cb 1.82 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 43.42 2qbd h LEU 65 CO -0.14 1.47 0.39 -0.62 -1.08 0.00 0.00 178.44 178.46 2qbd n GLU 66 N -3.48 0.07 -0.04 1.13 1.02 0.76 0.76 120.64 120.85 2qbd n GLU 66 Ca -0.16 0.51 -0.08 0.00 -0.02 0.00 0.00 57.16 57.42 2qbd n GLU 66 Cb 1.05 -2.10 -0.03 0.00 -0.02 0.00 0.00 31.44 30.35 2qbd n GLU 66 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2qbd n ASN 67 N -1.90 1.49 0.23 1.62 3.02 -1.20 -4.59 115.26 113.94 2qbd n ASN 67 Ca -0.01 0.24 0.16 0.00 -0.03 0.00 0.00 54.58 54.94 2qbd n ASN 67 Cb 0.40 -0.55 0.84 0.00 -0.61 0.00 0.00 39.78 39.87 2qbd n ASN 67 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 2qbd h VAL 68 N -0.57 0.53 -2.32 2.41 2.07 -1.47 -3.42 116.25 113.48 2qbd h VAL 68 Ca -0.08 0.00 -0.55 0.00 0.82 0.00 0.00 66.70 66.89 2qbd h VAL 68 Cb 0.73 0.90 0.01 0.00 -1.52 0.00 0.00 31.29 31.41 2qbd h VAL 68 CO -0.05 0.00 1.28 -0.13 0.02 0.00 0.00 177.57 178.69 2qbd s ARG 69 N -4.67 3.87 0.00 1.57 0.52 0.23 -4.65 118.95 115.81 2qbd s ARG 69 Ca -0.05 2.38 0.00 0.00 -0.52 0.00 0.00 55.73 57.54 2qbd s ARG 69 Cb 0.15 -4.19 0.00 0.00 0.52 0.00 0.00 34.95 31.43 2qbd s ARG 69 CO 0.56 -1.25 0.00 -0.35 0.02 0.00 0.00 175.30 174.27 2qbd n PRO 70 N 7.82 2.20 0.00 3.54 -0.04 -1.26 -4.97 135.00 142.29 2qbd n PRO 70 Ca 0.22 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 2qbd n PRO 70 Cb 0.42 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.88 2qbd n PRO 70 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 2qbd n THR 71 N -0.02 0.00 -3.82 0.52 5.66 -1.26 -5.01 114.28 110.34 2qbd n THR 71 Ca 0.00 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.88 2qbd n THR 71 Cb 0.00 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 68.66 2qbd n THR 71 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 2qbd s VAL 72 N -0.47 0.00 0.05 1.08 -7.23 -1.26 0.33 120.40 112.90 2qbd s VAL 72 Ca 0.00 -0.01 -0.07 0.00 -1.81 0.00 0.00 61.98 60.09 2qbd s VAL 72 Cb 0.00 -0.23 -0.01 0.00 0.56 0.00 0.00 36.38 36.70 2qbd s VAL 72 CO 0.00 -0.01 0.14 -1.83 -0.31 0.00 0.00 175.10 173.09 2qbd s GLU 73 N 0.06 0.66 0.34 4.82 -1.05 0.10 -4.18 118.70 119.47 2qbd s GLU 73 Ca -0.00 -0.76 -0.12 0.00 -0.15 0.00 0.00 54.97 53.93 2qbd s GLU 73 Cb -0.01 0.27 -0.08 0.00 -0.44 0.00 0.00 34.13 33.87 2qbd s GLU 73 CO 0.00 -0.18 0.72 0.14 0.95 0.00 0.00 175.26 176.89 2qbd s VAL 74 N -2.83 4.75 -0.21 1.83 -7.23 -1.26 0.85 120.40 116.31 2qbd s VAL 74 Ca -0.03 0.75 -0.01 0.00 -1.81 0.00 0.00 61.98 60.88 2qbd s VAL 74 Cb 0.00 -3.66 0.06 0.00 0.56 0.00 0.00 36.38 33.34 2qbd s VAL 74 CO -0.05 -0.30 -0.02 -0.75 -0.31 0.00 0.00 175.10 173.67 2qbd s LYS 75 N -3.30 1.19 0.30 4.82 2.36 0.31 -4.88 119.74 120.54 2qbd s LYS 75 Ca 0.52 -0.69 -0.30 0.00 -2.55 0.00 0.00 55.97 52.95 2qbd s LYS 75 Cb -0.10 -2.31 -0.12 0.00 -1.05 0.00 0.00 37.83 34.25 2qbd s LYS 75 CO 0.23 -0.59 1.55 0.45 1.55 0.00 0.00 175.35 178.54 2qbd n SER 76 N 4.85 3.66 -3.53 1.43 2.88 -1.26 -3.25 113.62 118.41 2qbd n SER 76 Ca -0.11 1.16 -0.29 0.00 -1.33 0.00 0.00 58.87 58.30 2qbd n SER 76 Cb 0.46 -1.57 -0.13 0.00 -0.75 0.00 0.00 64.21 62.22 2qbd n SER 76 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 2qbd s ARG 77 N -0.71 0.52 -0.39 -1.46 6.06 -0.95 -4.98 118.95 117.03 2qbd s ARG 77 Ca 0.63 -1.14 -0.29 0.00 -2.50 0.00 0.00 55.73 52.44 2qbd s ARG 77 Cb -0.52 -1.41 -0.08 0.00 0.06 0.00 0.00 34.95 33.00 2qbd s ARG 77 CO 0.51 -1.13 2.32 -2.13 -2.50 0.00 0.00 175.30 172.37 2qbd n ARG 78 N 4.41 1.32 -3.82 5.12 0.00 -1.26 -3.96 116.66 118.47 2qbd n ARG 78 Ca 0.05 0.25 -0.27 0.00 -0.00 0.00 0.00 57.85 57.88 2qbd n ARG 78 Cb 0.39 -3.06 -0.17 0.00 0.00 0.00 0.00 32.46 29.62 2qbd n ARG 78 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 2qbd s VAL 79 N 9.65 0.84 -1.39 5.15 1.01 -1.17 -4.85 120.40 129.65 2qbd s VAL 79 Ca 1.04 -0.56 -0.06 0.00 0.00 0.00 0.00 61.98 62.40 2qbd s VAL 79 Cb -0.44 -1.14 0.03 0.00 0.00 0.00 0.00 36.38 34.83 2qbd s VAL 79 CO 0.35 0.00 0.86 0.61 0.00 0.00 0.00 175.10 176.92 2qbd n GLY 80 N 4.95 -0.39 2.81 4.51 0.00 -1.26 -1.11 105.19 114.71 2qbd n GLY 80 Ca -0.10 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2qbd n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qbd n GLY 81 N -1.63 0.21 3.19 -0.02 0.00 -1.26 -4.95 105.19 100.73 2qbd n GLY 81 Ca -0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.47 2qbd n GLY 81 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qbd s SER 82 N -2.06 5.54 -0.94 1.61 0.01 -0.27 -5.01 113.70 112.58 2qbd s SER 82 Ca 0.00 -1.90 -0.22 0.00 1.31 0.00 0.00 55.95 55.14 2qbd s SER 82 Cb 0.00 -1.95 -0.12 0.00 0.21 0.00 0.00 66.02 64.16 2qbd s SER 82 CO 0.00 -0.63 1.93 0.41 0.41 0.00 0.00 173.24 175.36 2qbd n THR 83 N 4.80 1.97 -1.81 1.44 -1.04 -1.26 -3.03 114.28 115.35 2qbd n THR 83 Ca -0.06 -1.84 -0.35 0.00 -2.04 0.00 0.00 64.05 59.75 2qbd n THR 83 Cb 0.41 -2.28 0.05 0.00 -1.82 0.00 0.00 70.33 66.69 2qbd n THR 83 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 2qbd s TYR 84 N 6.84 2.33 -0.55 -1.42 4.12 -1.25 -4.85 117.35 122.57 2qbd s TYR 84 Ca 0.60 1.55 0.04 0.00 0.02 0.00 0.00 57.07 59.28 2qbd s TYR 84 Cb 0.09 -3.43 0.39 0.00 -1.52 0.00 0.00 41.96 37.49 2qbd s TYR 84 CO 0.12 -2.24 1.19 1.04 0.02 0.00 0.00 175.55 175.68 2qbd n GLN 85 N -2.05 3.41 -1.61 -0.62 1.13 -1.26 -2.25 117.38 114.14 2qbd n GLN 85 Ca 0.13 -4.52 -0.49 0.00 -1.94 0.00 0.00 57.00 50.18 2qbd n GLN 85 Cb 0.50 -2.26 -0.05 0.00 0.11 0.00 0.00 30.24 28.54 2qbd n GLN 85 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 2qbd n VAL 86 N -0.40 0.42 -1.73 5.09 0.31 -1.20 -4.29 118.33 116.53 2qbd n VAL 86 Ca 0.39 -0.19 -0.31 0.00 -0.01 0.00 0.00 64.34 64.21 2qbd n VAL 86 Cb 0.52 -1.86 0.03 0.00 -0.91 0.00 0.00 33.84 31.62 2qbd n VAL 86 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2qbd s PRO 87 N 4.95 3.27 -0.14 5.55 0.04 -1.26 0.12 135.00 147.53 2qbd s PRO 87 Ca 0.99 0.86 -0.30 0.00 0.04 0.00 0.00 61.00 62.59 2qbd s PRO 87 Cb -0.72 -2.04 0.11 0.00 0.04 0.00 0.00 34.50 31.89 2qbd s PRO 87 CO 0.50 -0.83 0.89 0.54 0.04 0.00 0.00 177.00 178.13 2qbd s VAL 88 N -3.09 0.00 0.61 -0.36 0.11 0.25 -4.80 120.40 113.12 2qbd s VAL 88 Ca 0.57 0.00 -0.18 0.00 -2.93 0.00 0.00 61.98 59.44 2qbd s VAL 88 Cb -0.13 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.70 2qbd s VAL 88 CO 0.54 0.00 1.20 -1.61 -3.33 0.00 0.00 175.10 171.90 2qbd s GLU 89 N -0.99 2.88 -0.23 1.54 8.01 -1.26 0.03 118.70 128.68 2qbd s GLU 89 Ca -0.04 1.80 -0.11 0.00 0.01 0.00 0.00 54.97 56.62 2qbd s GLU 89 Cb -0.01 -1.92 -0.05 0.00 -4.31 0.00 0.00 34.13 27.84 2qbd s GLU 89 CO 0.04 -1.27 0.20 0.14 0.01 0.00 0.00 175.26 174.37 2qbd s VAL 90 N -1.67 5.34 0.93 2.63 -7.23 0.15 -4.78 120.40 115.76 2qbd s VAL 90 Ca 0.77 0.27 -0.13 0.00 -1.81 0.00 0.00 61.98 61.07 2qbd s VAL 90 Cb -0.30 -3.54 0.02 0.00 0.56 0.00 0.00 36.38 33.12 2qbd s VAL 90 CO 0.35 0.34 0.34 0.54 -0.31 0.00 0.00 175.10 176.35 2qbd n ARG 91 N 4.24 -0.21 0.45 4.82 3.00 -1.26 -4.59 116.66 123.11 2qbd n ARG 91 Ca -0.14 -0.02 -0.19 0.00 -0.01 0.00 0.00 57.85 57.49 2qbd n ARG 91 Cb 0.52 -1.80 -0.09 0.00 0.00 0.00 0.00 32.46 31.09 2qbd n ARG 91 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 2qbd h PRO 92 N -1.40 -1.15 -1.07 5.56 0.13 -1.99 0.65 132.00 132.73 2qbd h PRO 92 Ca -0.44 0.08 0.29 0.00 -0.87 0.00 0.00 66.00 65.06 2qbd h PRO 92 Cb 1.29 0.26 -0.10 0.00 0.13 0.00 0.00 31.00 32.58 2qbd h PRO 92 CO 0.34 -0.77 0.69 -0.39 -0.23 0.00 0.00 178.00 177.64 2qbd h VAL 93 N -1.19 0.47 0.03 1.56 -1.51 -2.02 -0.99 116.25 112.59 2qbd h VAL 93 Ca -0.12 -0.12 -0.08 0.00 -1.23 0.00 0.00 66.70 65.15 2qbd h VAL 93 Cb 0.93 0.08 0.01 0.00 -2.13 0.00 0.00 31.29 30.18 2qbd h VAL 93 CO 0.16 0.06 -0.32 -0.09 -1.23 0.00 0.00 177.57 176.15 2qbd h ARG 94 N 0.36 0.17 -0.81 5.19 1.12 -1.88 -3.28 114.38 115.25 2qbd h ARG 94 Ca 0.63 -0.22 0.15 0.00 -1.11 0.00 0.00 59.98 59.42 2qbd h ARG 94 Cb 1.64 0.07 -0.15 0.00 -0.01 0.00 0.00 29.97 31.52 2qbd h ARG 94 CO -0.32 1.01 -0.28 -0.09 -3.11 0.00 0.00 179.97 177.18 2qbd h ARG 95 N -0.56 -0.04 -0.77 0.20 2.43 0.51 0.87 114.38 117.02 2qbd h ARG 95 Ca -0.05 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.09 2qbd h ARG 95 Cb 1.15 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.67 2qbd h ARG 95 CO 0.06 -0.03 0.36 -0.91 -1.51 0.00 0.00 179.97 177.95 2qbd h ASN 96 N -0.04 1.01 -0.05 -3.80 4.21 -1.63 -2.72 115.58 112.56 2qbd h ASN 96 Ca 0.35 -0.14 0.03 0.00 1.21 0.00 0.00 56.30 57.75 2qbd h ASN 96 Cb 0.59 -0.26 -0.04 0.00 -1.12 0.00 0.00 38.32 37.49 2qbd h ASN 96 CO -0.84 0.87 -0.16 0.00 -1.29 0.00 0.00 177.43 176.00 2qbd h ALA 97 N 1.18 -0.16 -0.46 -0.83 0.00 -0.92 -1.28 119.26 116.80 2qbd h ALA 97 Ca 0.26 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.26 2qbd h ALA 97 Cb 0.13 0.31 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 2qbd h ALA 97 CO -0.03 -0.64 0.15 -0.07 0.00 0.00 0.00 179.25 178.66 2qbd h LEU 98 N -0.25 0.14 -0.62 0.00 3.38 -1.23 0.41 115.31 117.15 2qbd h LEU 98 Ca 0.07 0.06 0.06 0.00 0.09 0.00 0.00 57.88 58.15 2qbd h LEU 98 Cb 0.34 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.09 2qbd h LEU 98 CO -0.19 0.11 0.33 0.00 0.09 0.00 0.00 178.44 178.78 2qbd h ALA 99 N 1.32 0.82 -0.28 1.53 0.00 -1.15 0.21 119.26 121.70 2qbd h ALA 99 Ca 0.22 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 2qbd h ALA 99 Cb 0.24 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2qbd h ALA 99 CO -0.24 -0.01 0.05 0.52 0.00 0.00 0.00 179.25 179.57 2qbd h MET 100 N 0.61 0.47 -0.63 0.00 2.86 -0.52 -1.02 114.93 116.70 2qbd h MET 100 Ca 0.28 -0.13 -0.02 0.00 -2.06 0.00 0.00 59.70 57.77 2qbd h MET 100 Cb 0.18 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.76 2qbd h MET 100 CO -0.18 0.58 0.31 -0.09 1.06 0.00 0.00 176.91 178.58 2qbd h ARG 101 N 0.28 0.91 0.13 1.72 2.43 -0.46 -2.57 114.38 116.82 2qbd h ARG 101 Ca 0.09 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 2qbd h ARG 101 Cb 0.34 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 2qbd h ARG 101 CO 0.01 0.73 -0.06 -1.49 -1.51 0.00 0.00 179.97 177.64 2qbd h TRP 102 N 0.87 -0.16 -0.53 2.20 6.55 -0.49 -2.13 115.95 122.26 2qbd h TRP 102 Ca 0.22 -0.00 0.11 0.00 0.95 0.00 0.00 58.89 60.16 2qbd h TRP 102 Cb 0.11 0.05 -0.10 0.00 -0.86 0.00 0.00 29.16 28.37 2qbd h TRP 102 CO 0.00 0.06 -0.13 0.82 -1.05 0.00 0.00 178.44 178.14 2qbd h ILE 103 N -0.37 0.47 0.69 1.49 2.04 -1.10 0.99 117.51 121.72 2qbd h ILE 103 Ca -0.02 -0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.81 2qbd h ILE 103 Cb 0.30 0.47 0.01 0.00 -0.74 0.00 0.00 36.82 36.86 2qbd h ILE 103 CO 0.03 0.00 -0.33 0.58 0.00 0.00 0.00 178.15 178.43 2qbd h VAL 104 N 0.00 0.00 -0.99 1.67 2.07 -1.44 0.60 116.25 118.17 2qbd h VAL 104 Ca 0.25 -0.10 0.20 0.00 0.82 0.00 0.00 66.70 67.87 2qbd h VAL 104 Cb 0.39 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.06 2qbd h VAL 104 CO -0.54 0.00 0.62 -0.08 0.02 0.00 0.00 177.57 177.58 2qbd h GLU 105 N -1.03 0.64 -0.24 1.57 4.81 -1.22 0.49 114.58 119.60 2qbd h GLU 105 Ca -0.09 -0.04 -0.20 0.00 -0.13 0.00 0.00 59.36 58.90 2qbd h GLU 105 Cb 0.71 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.95 2qbd h GLU 105 CO 0.16 0.42 -0.63 0.00 -0.73 0.00 0.00 179.01 178.22 2qbd h ALA 106 N 1.63 0.42 -0.24 2.92 0.00 -0.76 -3.14 119.26 120.09 2qbd h ALA 106 Ca 0.55 -0.55 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 2qbd h ALA 106 Cb 1.01 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 2qbd h ALA 106 CO -0.32 0.68 -0.32 0.00 0.00 0.00 0.00 179.25 179.29 2qbd h ALA 107 N 0.66 0.99 0.00 0.00 0.00 0.15 -2.63 119.26 118.42 2qbd h ALA 107 Ca -0.01 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2qbd h ALA 107 Cb 1.25 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2qbd h ALA 107 CO 0.14 0.60 0.00 0.00 0.00 0.00 0.00 179.25 179.99 2qbd h ARG 108 N 0.44 0.00 -0.01 0.00 3.08 -0.11 -2.24 114.38 115.53 2qbd h ARG 108 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 2qbd h ARG 108 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.83 2qbd h ARG 108 CO 0.06 0.00 -0.54 1.17 -1.07 0.00 0.00 179.97 179.60 2qbd n LYS 109 N -2.88 0.99 0.00 0.04 0.00 -1.00 -4.35 118.16 110.97 2qbd n LYS 109 Ca -0.01 -0.81 0.02 0.00 0.00 0.00 0.00 58.31 57.51 2qbd n LYS 109 Cb 0.17 -1.48 0.11 0.00 0.00 0.00 0.00 35.03 33.82 2qbd n LYS 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2qbd n ARG 110 N -0.30 0.11 -3.27 1.64 1.74 -0.84 -4.81 116.66 110.92 2qbd n ARG 110 Ca 0.09 0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 56.95 2qbd n ARG 110 Cb 0.44 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.34 2qbd n ARG 110 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qbd n GLY 111 N -0.78 -0.35 0.00 -0.13 0.00 -1.26 -4.90 105.19 97.77 2qbd n GLY 111 Ca 0.03 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2qbd n GLY 111 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2qbd n ASP 112 N -1.59 0.00 0.00 1.61 9.92 -1.26 -5.05 116.55 120.18 2qbd n ASP 112 Ca 0.06 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.32 2qbd n ASP 112 Cb 0.37 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.85 2qbd n ASP 112 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2qbd n LYS 113 N 0.00 0.00 -4.48 -1.24 5.02 -1.26 -5.01 118.16 111.19 2qbd n LYS 113 Ca 0.00 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.96 2qbd n LYS 113 Cb 0.00 -0.35 -0.15 0.00 -0.02 0.00 0.00 35.03 34.51 2qbd n LYS 113 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2qbd s SER 114 N -3.52 3.96 0.31 4.39 0.01 -1.26 -5.00 113.70 112.59 2qbd s SER 114 Ca 0.00 -0.39 0.13 0.00 1.31 0.00 0.00 55.95 57.00 2qbd s SER 114 Cb 0.00 -1.62 1.03 0.00 0.21 0.00 0.00 66.02 65.64 2qbd s SER 114 CO 0.00 0.10 1.42 0.80 0.41 0.00 0.00 173.24 175.97 2qbd n MET 115 N 3.99 -0.06 -0.18 12.44 0.00 -1.26 -0.20 117.12 131.85 2qbd n MET 115 Ca -0.18 1.28 -0.03 0.00 -0.00 0.00 0.00 57.70 58.77 2qbd n MET 115 Cb 0.52 -2.20 0.04 0.00 0.00 0.00 0.00 33.22 31.58 2qbd n MET 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2qbd h ALA 116 N 1.80 0.28 -0.01 -5.12 0.00 -1.95 0.17 119.26 114.44 2qbd h ALA 116 Ca 0.69 0.21 -0.23 0.00 0.00 0.00 0.00 54.91 55.58 2qbd h ALA 116 Cb 1.71 0.50 0.00 0.00 0.00 0.00 0.00 17.79 20.01 2qbd h ALA 116 CO -0.75 -0.49 -0.93 1.37 0.00 0.00 0.00 179.25 178.46 2qbd h LEU 117 N -0.05 0.60 -0.34 0.00 -0.00 -0.88 -3.26 115.31 111.38 2qbd h LEU 117 Ca 0.26 -0.47 0.07 0.00 -0.00 0.00 0.00 57.88 57.75 2qbd h LEU 117 Cb 0.45 -0.18 -0.07 0.00 -0.00 0.00 0.00 40.66 40.86 2qbd h LEU 117 CO -0.60 1.26 -0.13 0.03 -0.00 0.00 0.00 178.44 179.00 2qbd h ARG 118 N 0.27 -0.06 -0.72 0.17 3.08 -0.44 -0.71 114.38 115.96 2qbd h ARG 118 Ca -0.08 0.00 0.13 0.00 0.07 0.00 0.00 59.98 60.10 2qbd h ARG 118 Cb 1.56 0.01 -0.09 0.00 0.08 0.00 0.00 29.97 31.54 2qbd h ARG 118 CO 0.17 -0.04 0.29 1.25 -1.07 0.00 0.00 179.97 180.57 2qbd h LEU 119 N -0.06 0.29 0.12 3.04 5.85 -1.07 -2.42 115.31 121.06 2qbd h LEU 119 Ca 0.17 0.10 0.02 0.00 0.84 0.00 0.00 57.88 59.01 2qbd h LEU 119 Cb 0.32 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 2qbd h LEU 119 CO -0.39 0.13 -0.26 0.00 -0.34 0.00 0.00 178.44 177.59 2qbd h ALA 120 N 1.51 -0.44 0.04 1.25 0.00 -1.19 -1.39 119.26 119.04 2qbd h ALA 120 Ca 0.39 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.28 2qbd h ALA 120 Cb 0.55 0.41 -0.05 0.00 0.00 0.00 0.00 17.79 18.70 2qbd h ALA 120 CO -0.37 -0.79 -0.50 -0.91 0.00 0.00 0.00 179.25 176.67 2qbd h ASN 121 N -0.47 -1.53 -0.97 0.00 -0.26 -0.93 -0.18 115.58 111.24 2qbd h ASN 121 Ca 0.03 0.17 0.13 0.00 -0.56 0.00 0.00 56.30 56.07 2qbd h ASN 121 Cb 0.49 0.58 -0.09 0.00 -1.06 0.00 0.00 38.32 38.24 2qbd h ASN 121 CO -0.14 -0.52 0.59 -0.08 -1.06 0.00 0.00 177.43 176.22 2qbd h GLU 122 N -0.68 0.88 -0.15 0.81 4.57 -1.45 0.26 114.58 118.82 2qbd h GLU 122 Ca 0.02 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.12 2qbd h GLU 122 Cb 0.72 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 29.10 2qbd h GLU 122 CO -0.33 0.58 0.01 -0.07 -1.18 0.00 0.00 179.01 178.02 2qbd h LEU 123 N 0.90 0.19 0.08 1.64 3.38 -0.28 0.77 115.31 122.00 2qbd h LEU 123 Ca 0.49 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.44 2qbd h LEU 123 Cb 0.55 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2qbd h LEU 123 CO -0.29 0.23 -0.04 0.28 0.09 0.00 0.00 178.44 178.72 2qbd h SER 124 N 0.22 -0.09 -1.00 -0.43 0.02 0.11 -3.25 113.55 109.13 2qbd h SER 124 Ca 0.05 -0.34 0.15 0.00 -0.84 0.00 0.00 61.79 60.82 2qbd h SER 124 Cb 0.14 0.02 -0.09 0.00 0.14 0.00 0.00 62.40 62.61 2qbd h SER 124 CO 0.00 0.54 0.62 0.44 -1.14 0.00 0.00 176.83 177.30 2qbd h ASP 125 N -0.98 0.86 -0.78 3.07 5.19 -0.63 -0.79 116.42 122.35 2qbd h ASP 125 Ca -0.01 0.07 0.02 0.00 -0.62 0.00 0.00 57.03 56.49 2qbd h ASP 125 Cb 0.43 -0.09 -0.04 0.00 0.18 0.00 0.00 39.33 39.80 2qbd h ASP 125 CO 0.02 0.39 0.52 0.00 -3.12 0.00 0.00 179.24 177.05 2qbd h ALA 126 N 1.59 1.49 0.00 3.45 0.00 -0.96 -1.95 119.26 122.88 2qbd h ALA 126 Ca 0.53 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.40 2qbd h ALA 126 Cb 0.68 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2qbd h ALA 126 CO -0.32 0.44 0.00 0.00 0.00 0.00 0.00 179.25 179.38 2qbd n ALA 127 N -2.42 1.52 -2.24 0.00 0.00 -0.30 -2.25 120.51 114.82 2qbd n ALA 127 Ca 0.09 -0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.48 2qbd n ALA 127 Cb 0.08 -1.01 -0.00 0.00 0.00 0.00 0.00 19.45 18.52 2qbd n ALA 127 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2qbd n GLU 128 N -0.75 0.46 -3.07 0.00 0.00 -0.77 -4.89 120.64 111.63 2qbd n GLU 128 Ca 0.00 -1.14 -0.13 0.00 0.00 0.00 0.00 57.16 55.89 2qbd n GLU 128 Cb 0.00 0.43 0.01 0.00 0.00 0.00 0.00 31.44 31.88 2qbd n GLU 128 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2qbd n ASN 129 N -0.49 -7.02 0.00 -1.84 4.13 -0.95 -4.99 115.26 104.10 2qbd n ASN 129 Ca -0.23 0.53 0.00 0.00 1.68 0.00 0.00 54.58 56.56 2qbd n ASN 129 Cb 0.77 -3.57 0.00 0.00 -1.54 0.00 0.00 39.78 35.44 2qbd n ASN 129 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 2qbd n LYS 130 N 0.30 0.00 -0.64 3.52 0.00 -1.00 -4.99 118.16 115.34 2qbd n LYS 130 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 58.31 58.01 2qbd n LYS 130 Cb 0.42 0.00 0.18 0.00 0.00 0.00 0.00 35.03 35.63 2qbd n LYS 130 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2qbd n GLY 131 N 0.63 -2.55 0.29 3.14 0.00 -1.26 -4.69 105.19 100.76 2qbd n GLY 131 Ca 0.00 -0.82 0.18 0.00 0.00 0.00 0.00 46.02 45.38 2qbd n GLY 131 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2qbd h THR 132 N -2.19 0.00 0.27 2.61 1.35 -1.96 -2.93 112.91 110.06 2qbd h THR 132 Ca -0.51 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.34 2qbd h THR 132 Cb 1.30 0.78 -0.01 0.00 -1.73 0.00 0.00 68.15 68.49 2qbd h THR 132 CO 0.36 0.00 -0.24 0.00 -0.25 0.00 0.00 175.52 175.39 2qbd h ALA 133 N 1.83 -0.97 -0.52 6.62 0.00 -1.87 -1.87 119.26 122.49 2qbd h ALA 133 Ca 0.00 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.83 2qbd h ALA 133 Cb 0.15 0.45 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 2qbd h ALA 133 CO 0.00 -0.98 0.34 -0.39 0.00 0.00 0.00 179.25 178.22 2qbd h VAL 134 N -0.50 1.08 -0.21 0.00 -1.51 -1.84 -2.83 116.25 110.44 2qbd h VAL 134 Ca -0.03 -0.22 0.02 0.00 -1.23 0.00 0.00 66.70 65.24 2qbd h VAL 134 Cb 0.43 0.40 -0.04 0.00 -2.13 0.00 0.00 31.29 29.94 2qbd h VAL 134 CO -0.01 0.11 -0.28 0.50 -1.23 0.00 0.00 177.57 176.66 2qbd h LYS 135 N 0.63 -0.20 -0.67 5.19 3.11 -1.29 -0.43 116.57 122.91 2qbd h LYS 135 Ca 0.20 0.01 0.11 0.00 -2.81 0.00 0.00 60.65 58.17 2qbd h LYS 135 Cb 0.03 0.04 -0.08 0.00 -1.00 0.00 0.00 32.23 31.23 2qbd h LYS 135 CO -0.05 -0.13 0.26 -0.22 -2.81 0.00 0.00 179.45 176.50 2qbd h LYS 136 N -0.20 0.42 -0.57 1.90 1.63 -1.18 -2.18 116.57 116.40 2qbd h LYS 136 Ca 0.04 -0.03 0.11 0.00 -0.85 0.00 0.00 60.65 59.92 2qbd h LYS 136 Cb 0.30 -0.09 -0.11 0.00 -0.60 0.00 0.00 32.23 31.73 2qbd h LYS 136 CO -0.30 0.28 -0.14 -0.09 -3.45 0.00 0.00 179.45 175.74 2qbd h ARG 137 N 0.43 -0.00 -0.27 1.90 1.12 -0.95 -0.71 114.38 115.90 2qbd h ARG 137 Ca 0.35 0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 59.21 2qbd h ARG 137 Cb 0.47 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.42 2qbd h ARG 137 CO -0.35 -0.00 0.14 0.93 -3.11 0.00 0.00 179.97 177.58 2qbd h GLU 138 N -0.00 0.39 -0.82 0.20 4.39 -0.51 -2.62 114.58 115.61 2qbd h GLU 138 Ca 0.27 -0.05 0.17 0.00 0.34 0.00 0.00 59.36 60.08 2qbd h GLU 138 Cb 0.41 -0.07 -0.10 0.00 -0.10 0.00 0.00 28.75 28.89 2qbd h GLU 138 CO -0.58 0.36 0.35 -0.44 -1.16 0.00 0.00 179.01 177.54 2qbd h ASP 139 N 0.32 0.33 -0.04 1.42 3.32 -0.86 0.38 116.42 121.28 2qbd h ASP 139 Ca 0.10 0.12 0.04 0.00 0.02 0.00 0.00 57.03 57.30 2qbd h ASP 139 Cb 0.09 0.09 -0.05 0.00 0.22 0.00 0.00 39.33 39.68 2qbd h ASP 139 CO -0.01 0.09 -0.30 0.58 -1.72 0.00 0.00 179.24 177.88 2qbd h VAL 140 N 0.46 0.33 0.00 -1.35 2.07 -0.80 0.38 116.25 117.35 2qbd h VAL 140 Ca 0.47 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.93 2qbd h VAL 140 Cb 0.76 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 2qbd h VAL 140 CO -0.44 0.00 -0.26 0.45 0.02 0.00 0.00 177.57 177.35 2qbd h HIS 141 N -0.42 0.00 -0.27 1.57 3.86 -1.13 -2.33 115.15 116.43 2qbd h HIS 141 Ca 0.07 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.14 2qbd h HIS 141 Cb 0.53 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.99 2qbd h HIS 141 CO -0.35 0.26 -0.41 -0.09 0.86 0.00 0.00 177.93 178.20 2qbd h ARG 142 N 0.00 0.64 0.39 2.45 2.43 0.14 -2.98 114.38 117.45 2qbd h ARG 142 Ca -0.00 -0.33 -0.02 0.00 -0.81 0.00 0.00 59.98 58.82 2qbd h ARG 142 Cb 0.60 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 2qbd h ARG 142 CO 0.03 0.93 -0.18 1.98 -1.51 0.00 0.00 179.97 181.22 2qbd h MET 143 N 0.52 -0.50 -7.26 0.20 4.05 0.19 -3.31 114.93 108.82 2qbd h MET 143 Ca 0.04 0.03 -0.43 0.00 -0.28 0.00 0.00 59.70 59.07 2qbd h MET 143 Cb 0.93 0.11 0.19 0.00 -0.80 0.00 0.00 31.60 32.03 2qbd h MET 143 CO 0.08 -0.25 0.08 0.00 0.23 0.00 0.00 176.91 177.05 2qbd s ALA 144 N -5.52 0.16 0.00 0.39 0.00 -0.93 -2.90 121.76 112.96 2qbd s ALA 144 Ca -0.15 -0.53 0.00 0.00 0.00 0.00 0.00 51.96 51.28 2qbd s ALA 144 Cb 0.03 -3.07 0.00 0.00 0.00 0.00 0.00 23.12 20.09 2qbd s ALA 144 CO 0.59 -3.60 0.00 -1.91 0.00 0.00 0.00 175.76 170.85 2qbd n GLU 145 N -4.76 0.00 0.07 0.00 4.07 -1.26 -4.08 120.64 114.67 2qbd n GLU 145 Ca 0.07 0.00 0.10 0.00 -0.06 0.00 0.00 57.16 57.27 2qbd n GLU 145 Cb 0.57 -0.12 0.41 0.00 -0.06 0.00 0.00 31.44 32.25 2qbd n GLU 145 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2qbd n ALA 146 N 0.00 1.70 -0.88 4.31 0.00 -1.14 -0.67 120.51 123.84 2qbd n ALA 146 Ca 0.00 0.02 0.05 0.00 0.00 0.00 0.00 53.44 53.50 2qbd n ALA 146 Cb 0.00 -1.33 0.07 0.00 0.00 0.00 0.00 19.45 18.19 2qbd n ALA 146 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2qbd n ASN 147 N -1.90 1.71 0.26 0.00 5.03 -1.15 -4.73 115.26 114.48 2qbd n ASN 147 Ca 0.03 -2.43 0.18 0.00 0.87 0.00 0.00 54.58 53.23 2qbd n ASN 147 Cb 0.21 -0.23 0.92 0.00 -1.02 0.00 0.00 39.78 39.66 2qbd n ASN 147 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.26 175.93 2qbd h LYS 148 N 0.00 0.00 -0.96 3.52 1.63 -1.19 -0.81 116.57 118.76 2qbd h LYS 148 Ca 0.00 0.00 0.19 0.00 -0.85 0.00 0.00 60.65 59.99 2qbd h LYS 148 Cb 0.91 0.00 -0.11 0.00 -0.60 0.00 0.00 32.23 32.43 2qbd h LYS 148 CO 0.00 0.00 0.55 0.00 -3.45 0.00 0.00 179.45 176.55 2qbd h ALA 149 N 1.81 1.58 0.00 5.00 0.00 -1.85 0.40 119.26 126.19 2qbd h ALA 149 Ca 0.05 0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 2qbd h ALA 149 Cb 0.33 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2qbd h ALA 149 CO -0.00 -0.11 -1.01 0.74 0.00 0.00 0.00 179.25 178.87 2qbd h PHE 150 N 0.68 0.00 0.00 0.00 -1.00 -1.55 -3.53 116.94 111.53 2qbd h PHE 150 Ca 0.56 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.34 2qbd h PHE 150 Cb 0.90 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.46 2qbd h PHE 150 CO -0.04 0.50 0.00 0.00 -1.61 0.00 0.00 178.31 177.16