#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbf s GLN 4 N 0.00 2.82 -0.37 1.20 -0.21 -1.26 -4.89 119.66 116.95 2qbf s GLN 4 Ca 0.00 -0.07 0.01 0.00 0.02 0.00 0.00 55.36 55.32 2qbf s GLN 4 Cb 0.00 -2.27 0.12 0.00 1.00 0.00 0.00 33.01 31.85 2qbf s GLN 4 CO 0.00 -0.76 0.16 0.71 -2.12 0.00 0.00 175.29 173.28 2qbf s TYR 5 N -3.01 2.00 0.69 0.91 1.51 -0.32 -4.94 117.35 114.19 2qbf s TYR 5 Ca 0.55 -2.15 -0.13 0.00 -1.01 0.00 0.00 57.07 54.33 2qbf s TYR 5 Cb -0.11 -1.89 0.01 0.00 -0.11 0.00 0.00 41.96 39.87 2qbf s TYR 5 CO 0.45 -0.84 1.09 -0.47 -1.11 0.00 0.00 175.55 174.66 2qbf s TYR 6 N 1.00 2.76 -0.21 2.71 6.14 -1.26 0.93 117.35 129.41 2qbf s TYR 6 Ca 0.13 1.52 -0.08 0.00 0.64 0.00 0.00 57.07 59.29 2qbf s TYR 6 Cb -0.21 -3.05 0.09 0.00 0.42 0.00 0.00 41.96 39.22 2qbf s TYR 6 CO -0.12 -1.55 0.47 0.20 0.64 0.00 0.00 175.55 175.19 2qbf s GLY 7 N -3.11 -0.43 0.00 8.97 0.00 0.24 -4.27 107.32 108.72 2qbf s GLY 7 Ca 0.63 1.68 0.00 0.00 0.00 0.00 0.00 44.72 47.03 2qbf s GLY 7 CO 0.48 2.44 0.00 -1.30 0.00 0.00 0.00 173.10 174.72 2qbf n THR 8 N 5.23 0.00 -0.37 0.90 -2.24 -1.26 0.16 114.28 116.70 2qbf n THR 8 Ca -0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 2qbf n THR 8 Cb 0.50 -0.57 0.00 0.00 -2.10 0.00 0.00 70.33 68.16 2qbf n THR 8 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qbf n GLY 9 N 1.44 -3.50 3.51 3.38 0.00 -1.26 -3.56 105.19 105.20 2qbf n GLY 9 Ca 0.00 -0.83 -0.09 0.00 0.00 0.00 0.00 46.02 45.10 2qbf n GLY 9 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2qbf s ARG 10 N -3.26 0.93 -0.29 1.61 1.70 -1.25 -2.48 118.95 115.92 2qbf s ARG 10 Ca 0.00 -0.36 -0.25 0.00 -0.47 0.00 0.00 55.73 54.65 2qbf s ARG 10 Cb 0.00 0.42 0.15 0.00 -0.57 0.00 0.00 34.95 34.95 2qbf s ARG 10 CO 0.00 -0.41 1.23 -0.98 -1.08 0.00 0.00 175.30 174.06 2qbf s ARG 11 N -3.25 0.29 -1.33 3.89 1.70 -1.25 -4.62 118.95 114.38 2qbf s ARG 11 Ca 0.05 0.34 -0.05 0.00 -0.47 0.00 0.00 55.73 55.60 2qbf s ARG 11 Cb -0.01 0.14 0.02 0.00 -0.57 0.00 0.00 34.95 34.53 2qbf s ARG 11 CO -0.09 -0.04 0.94 1.63 -1.08 0.00 0.00 175.30 176.67 2qbf n LYS 12 N 1.88 -6.18 -3.21 3.89 5.02 -1.26 -3.23 118.16 115.08 2qbf n LYS 12 Ca -0.11 0.72 -0.08 0.00 -2.02 0.00 0.00 58.31 56.82 2qbf n LYS 12 Cb 0.56 -5.58 0.03 0.00 -0.02 0.00 0.00 35.03 30.02 2qbf n LYS 12 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2qbf n SER 13 N -3.02 -7.10 -3.47 4.39 3.41 -1.26 -4.64 113.62 101.94 2qbf n SER 13 Ca -0.16 -0.40 -0.24 0.00 -0.26 0.00 0.00 58.87 57.81 2qbf n SER 13 Cb 0.62 -4.94 -0.12 0.00 -0.26 0.00 0.00 64.21 59.51 2qbf n SER 13 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2qbf s SER 14 N -3.16 2.64 -0.50 4.04 0.01 -1.20 -1.78 113.70 113.75 2qbf s SER 14 Ca 0.18 -1.35 -0.28 0.00 1.31 0.00 0.00 55.95 55.82 2qbf s SER 14 Cb -0.03 -0.02 -0.00 0.00 0.21 0.00 0.00 66.02 66.18 2qbf s SER 14 CO 0.76 -0.38 1.64 0.00 0.41 0.00 0.00 173.24 175.67 2qbf s ALA 15 N 1.90 2.66 -0.02 1.44 0.00 0.47 -3.85 121.76 124.36 2qbf s ALA 15 Ca 0.12 -0.39 0.02 0.00 0.00 0.00 0.00 51.96 51.71 2qbf s ALA 15 Cb -0.17 -4.12 -0.03 0.00 0.00 0.00 0.00 23.12 18.80 2qbf s ALA 15 CO -0.25 -3.08 -0.07 0.00 0.00 0.00 0.00 175.76 172.36 2qbf s ALA 16 N 7.07 2.99 -0.18 0.00 0.00 -1.04 0.66 121.76 131.26 2qbf s ALA 16 Ca 0.64 -0.97 -0.03 0.00 0.00 0.00 0.00 51.96 51.60 2qbf s ALA 16 Cb -0.14 -1.16 0.06 0.00 0.00 0.00 0.00 23.12 21.88 2qbf s ALA 16 CO 0.27 0.60 0.04 1.03 0.00 0.00 0.00 175.76 177.69 2qbf s ARG 17 N -1.18 0.61 0.07 0.00 0.52 -1.20 -4.09 118.95 113.67 2qbf s ARG 17 Ca 0.15 -0.36 0.04 0.00 -0.52 0.00 0.00 55.73 55.04 2qbf s ARG 17 Cb -0.11 -2.01 -0.04 0.00 0.52 0.00 0.00 34.95 33.31 2qbf s ARG 17 CO 0.05 -0.62 0.02 0.08 0.02 0.00 0.00 175.30 174.85 2qbf s VAL 18 N 1.89 4.18 -0.23 3.52 1.01 0.12 0.41 120.40 131.31 2qbf s VAL 18 Ca -0.00 -0.87 -0.01 0.00 0.00 0.00 0.00 61.98 61.09 2qbf s VAL 18 Cb -0.17 -2.98 0.07 0.00 0.00 0.00 0.00 36.38 33.30 2qbf s VAL 18 CO -0.08 0.16 0.03 -0.36 0.00 0.00 0.00 175.10 174.85 2qbf s PHE 19 N -1.30 1.53 -0.18 5.22 0.08 -1.22 0.82 117.98 122.93 2qbf s PHE 19 Ca 0.26 -1.28 -0.29 0.00 0.12 0.00 0.00 56.93 55.73 2qbf s PHE 19 Cb -0.12 -1.32 -0.00 0.00 -0.57 0.00 0.00 43.02 41.01 2qbf s PHE 19 CO 0.18 -0.71 1.13 0.42 -0.10 0.00 0.00 175.22 176.14 2qbf s ILE 20 N 1.68 4.52 -0.02 0.64 1.09 0.26 -2.65 121.20 126.73 2qbf s ILE 20 Ca 0.00 1.83 0.01 0.00 -1.10 0.00 0.00 60.65 61.39 2qbf s ILE 20 Cb -0.18 -4.18 0.02 0.00 -1.06 0.00 0.00 42.46 37.06 2qbf s ILE 20 CO -0.11 -0.13 -0.01 -0.75 -0.10 0.00 0.00 174.94 173.83 2qbf s LYS 21 N 3.12 0.31 0.50 2.79 2.20 -0.40 -1.18 119.74 127.08 2qbf s LYS 21 Ca 0.49 -0.01 -0.22 0.00 -0.36 0.00 0.00 55.97 55.88 2qbf s LYS 21 Cb -0.18 -0.40 -0.06 0.00 -1.51 0.00 0.00 37.83 35.67 2qbf s LYS 21 CO 0.11 -0.05 1.20 -1.25 -0.36 0.00 0.00 175.35 175.00 2qbf s PRO 22 N 0.59 3.48 0.00 4.03 0.04 -1.26 0.18 135.00 142.06 2qbf s PRO 22 Ca -0.06 1.85 0.00 0.00 0.04 0.00 0.00 61.00 62.83 2qbf s PRO 22 Cb -0.09 -2.26 0.00 0.00 0.04 0.00 0.00 34.50 32.19 2qbf s PRO 22 CO -0.01 -0.80 0.00 0.41 0.04 0.00 0.00 177.00 176.64 2qbf n GLY 23 N 0.47 3.81 1.54 0.56 0.00 -1.02 -4.52 105.19 106.02 2qbf n GLY 23 Ca 0.09 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 45.02 2qbf n GLY 23 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2qbf n ASN 24 N 0.00 0.00 -2.34 1.61 6.94 -1.26 -1.84 115.26 118.37 2qbf n ASN 24 Ca 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 54.58 54.54 2qbf n ASN 24 Cb 0.00 0.00 0.09 0.00 -2.36 0.00 0.00 39.78 37.51 2qbf n ASN 24 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2qbf n GLY 25 N 0.00 1.14 3.73 4.83 0.00 -0.97 -0.52 105.19 113.39 2qbf n GLY 25 Ca 0.00 -0.12 -0.36 0.00 0.00 0.00 0.00 46.02 45.54 2qbf n GLY 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qbf s LYS 26 N 0.09 2.50 -0.12 1.61 -0.14 -1.26 -4.66 119.74 117.76 2qbf s LYS 26 Ca 0.07 2.01 -0.04 0.00 -1.36 0.00 0.00 55.97 56.64 2qbf s LYS 26 Cb 0.32 -1.85 0.06 0.00 -1.68 0.00 0.00 37.83 34.68 2qbf s LYS 26 CO -0.09 -1.62 0.19 0.42 -0.76 0.00 0.00 175.35 173.49 2qbf s ILE 27 N -1.50 -0.30 -0.07 2.17 1.01 -1.26 -0.63 121.20 120.62 2qbf s ILE 27 Ca 0.81 0.21 -0.01 0.00 0.00 0.00 0.00 60.65 61.66 2qbf s ILE 27 Cb -0.36 -0.42 0.03 0.00 0.01 0.00 0.00 42.46 41.71 2qbf s ILE 27 CO 0.40 0.04 -0.01 -0.69 0.00 0.00 0.00 174.94 174.68 2qbf s VAL 28 N 2.32 0.48 -0.13 2.92 1.01 -1.20 -3.34 120.40 122.46 2qbf s VAL 28 Ca 0.04 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.06 2qbf s VAL 28 Cb -0.13 -0.60 -0.01 0.00 0.00 0.00 0.00 36.38 35.63 2qbf s VAL 28 CO -0.08 0.27 -0.14 -0.63 0.00 0.00 0.00 175.10 174.52 2qbf s ILE 29 N 1.82 2.95 -1.38 2.22 1.01 0.41 -0.62 121.20 127.62 2qbf s ILE 29 Ca 0.03 -0.70 -0.07 0.00 0.00 0.00 0.00 60.65 59.92 2qbf s ILE 29 Cb -0.12 -2.23 0.04 0.00 0.01 0.00 0.00 42.46 40.16 2qbf s ILE 29 CO -0.05 0.53 0.49 0.59 0.00 0.00 0.00 174.94 176.50 2qbf n ASN 30 N 3.51 -4.68 -0.96 3.58 5.03 -0.93 -0.92 115.26 119.89 2qbf n ASN 30 Ca -0.18 -0.30 -0.09 0.00 0.87 0.00 0.00 54.58 54.87 2qbf n ASN 30 Cb 0.53 -3.83 -0.01 0.00 -1.02 0.00 0.00 39.78 35.44 2qbf n ASN 30 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2qbf n GLN 31 N -3.77 -0.72 -4.20 3.52 6.02 -1.26 -5.02 117.38 111.95 2qbf n GLN 31 Ca -0.07 0.56 -0.13 0.00 -0.01 0.00 0.00 57.00 57.36 2qbf n GLN 31 Cb 0.58 -4.55 -0.10 0.00 1.02 0.00 0.00 30.24 27.20 2qbf n GLN 31 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2qbf s ARG 32 N -3.97 1.26 0.58 -1.09 0.52 -0.10 -5.14 118.95 111.01 2qbf s ARG 32 Ca 0.00 -1.66 -0.16 0.00 -0.52 0.00 0.00 55.73 53.40 2qbf s ARG 32 Cb 0.00 0.28 -0.05 0.00 0.52 0.00 0.00 34.95 35.70 2qbf s ARG 32 CO 0.00 -0.42 1.04 -1.54 0.02 0.00 0.00 175.30 174.39 2qbf s SER 33 N -3.18 6.02 0.55 0.23 1.04 -1.26 -0.44 113.70 116.66 2qbf s SER 33 Ca 0.39 1.72 0.36 0.00 0.48 0.00 0.00 55.95 58.90 2qbf s SER 33 Cb 0.06 -2.52 1.68 0.00 0.10 0.00 0.00 66.02 65.34 2qbf s SER 33 CO 0.13 -1.00 2.07 0.25 0.98 0.00 0.00 173.24 175.67 2qbf h LEU 34 N 0.50 0.00 0.06 2.42 5.85 -1.90 -2.65 115.31 119.59 2qbf h LEU 34 Ca -0.47 0.00 -0.34 0.00 0.84 0.00 0.00 57.88 57.91 2qbf h LEU 34 Cb 1.21 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.20 2qbf h LEU 34 CO 0.59 0.00 -1.99 -0.62 -0.34 0.00 0.00 178.44 176.08 2qbf n GLU 35 N -2.94 0.70 0.00 1.25 4.71 -1.26 -1.38 120.64 121.71 2qbf n GLU 35 Ca -0.01 0.24 0.09 0.00 -0.01 0.00 0.00 57.16 57.48 2qbf n GLU 35 Cb 0.20 -1.70 0.50 0.00 -1.01 0.00 0.00 31.44 29.43 2qbf n GLU 35 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 2qbf n GLN 36 N -3.24 0.36 0.00 3.49 3.00 -1.04 -0.09 117.38 119.86 2qbf n GLN 36 Ca -0.28 0.08 -0.02 0.00 -0.01 0.00 0.00 57.00 56.77 2qbf n GLN 36 Cb 1.05 -1.50 -0.01 0.00 0.00 0.00 0.00 30.24 29.79 2qbf n GLN 36 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.06 178.04 2qbf n TYR 37 N -1.21 0.00 -1.79 1.08 9.36 -1.03 -4.85 117.16 118.72 2qbf n TYR 37 Ca 0.10 0.00 -0.04 0.00 3.32 0.00 0.00 57.90 61.28 2qbf n TYR 37 Cb 0.13 -0.09 0.14 0.00 -0.63 0.00 0.00 39.34 38.88 2qbf n TYR 37 CO 0.00 0.00 0.00 1.19 0.22 0.00 0.00 176.86 178.27 2qbf n PHE 38 N -3.29 0.96 -2.15 2.98 0.99 -0.48 -5.04 117.46 111.44 2qbf n PHE 38 Ca -0.03 -1.72 -0.41 0.00 -0.00 0.00 0.00 57.45 55.29 2qbf n PHE 38 Cb 0.10 -0.28 -0.03 0.00 -1.00 0.00 0.00 39.48 38.27 2qbf n PHE 38 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.76 176.96 2qbf s GLY 39 N -3.33 2.48 0.00 1.37 0.00 0.87 -2.83 107.32 105.88 2qbf s GLY 39 Ca 0.42 1.19 0.00 0.00 0.00 0.00 0.00 44.72 46.33 2qbf s GLY 39 CO -0.04 2.11 0.00 0.54 0.00 0.00 0.00 173.10 175.71 2qbf n ARG 40 N 2.32 0.00 -1.06 2.90 1.74 -1.26 -4.92 116.66 116.38 2qbf n ARG 40 Ca 0.06 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.80 2qbf n ARG 40 Cb 0.42 -0.30 0.12 0.00 -1.02 0.00 0.00 32.46 31.68 2qbf n ARG 40 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2qbf n GLU 41 N 0.00 0.09 0.00 5.56 1.02 -1.22 -4.78 120.64 121.32 2qbf n GLU 41 Ca 0.00 0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 2qbf n GLU 41 Cb 0.00 -2.19 0.00 0.00 -0.02 0.00 0.00 31.44 29.23 2qbf n GLU 41 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 2qbf n THR 42 N -3.19 0.00 -0.05 2.62 5.66 -1.26 -2.91 114.28 115.15 2qbf n THR 42 Ca 0.11 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 60.90 2qbf n THR 42 Cb 0.51 -0.30 -0.13 0.00 -1.55 0.00 0.00 70.33 68.86 2qbf n THR 42 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2qbf n ALA 43 N -0.33 0.88 0.00 1.79 0.00 -1.26 -4.18 120.51 117.41 2qbf n ALA 43 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.85 2qbf n ALA 43 Cb 0.02 -0.57 0.00 0.00 0.00 0.00 0.00 19.45 18.89 2qbf n ALA 43 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2qbf n ARG 44 N -3.89 0.00 -0.09 0.00 1.85 -1.13 -2.04 116.66 111.37 2qbf n ARG 44 Ca -0.34 0.07 -0.12 0.00 -1.00 0.00 0.00 57.85 56.46 2qbf n ARG 44 Cb 0.89 -1.51 -0.06 0.00 -1.05 0.00 0.00 32.46 30.73 2qbf n ARG 44 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2qbf n MET 45 N -1.00 0.50 -0.15 2.89 0.00 -1.26 -3.97 117.12 114.14 2qbf n MET 45 Ca 0.00 0.54 -0.03 0.00 0.00 0.00 0.00 57.70 58.21 2qbf n MET 45 Cb 0.01 -1.71 0.05 0.00 0.00 0.00 0.00 33.22 31.58 2qbf n MET 45 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 175.97 175.58 2qbf h VAL 46 N -1.00 0.71 -0.70 3.17 -1.51 -1.62 0.52 116.25 115.82 2qbf h VAL 46 Ca -0.16 -0.07 0.15 0.00 -1.23 0.00 0.00 66.70 65.40 2qbf h VAL 46 Cb 0.87 0.50 -0.12 0.00 -2.13 0.00 0.00 31.29 30.42 2qbf h VAL 46 CO -0.10 0.03 0.04 -0.37 -1.23 0.00 0.00 177.57 175.95 2qbf h VAL 47 N 0.19 0.44 -0.00 7.19 -1.51 -1.75 0.26 116.25 121.07 2qbf h VAL 47 Ca 0.23 -0.05 0.00 0.00 -1.23 0.00 0.00 66.70 65.65 2qbf h VAL 47 Cb 0.32 0.28 0.00 0.00 -2.13 0.00 0.00 31.29 29.76 2qbf h VAL 47 CO -0.33 0.03 -0.26 0.54 -1.23 0.00 0.00 177.57 176.32 2qbf n ARG 48 N -5.28 0.27 -0.15 5.19 1.74 -0.57 -4.29 116.66 113.56 2qbf n ARG 48 Ca 0.12 -0.12 -0.08 0.00 -0.77 0.00 0.00 57.85 57.00 2qbf n ARG 48 Cb 0.43 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.34 2qbf n ARG 48 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 2qbf h GLN 49 N 0.28 -0.25 -0.90 5.56 4.15 0.37 1.73 115.11 126.05 2qbf h GLN 49 Ca 0.00 0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.42 2qbf h GLN 49 Cb 0.47 0.06 -0.04 0.00 0.21 0.00 0.00 27.48 28.17 2qbf h GLN 49 CO 0.00 -0.17 0.50 -1.00 -1.93 0.00 0.00 178.83 176.23 2qbf h PRO 50 N -0.26 1.26 0.28 -2.39 0.13 -1.75 -2.21 132.00 127.06 2qbf h PRO 50 Ca 0.17 -0.14 -0.01 0.00 -0.87 0.00 0.00 66.00 65.15 2qbf h PRO 50 Cb 0.56 -0.25 0.00 0.00 0.13 0.00 0.00 31.00 31.45 2qbf h PRO 50 CO -0.60 0.91 -0.14 -0.07 -0.23 0.00 0.00 178.00 177.88 2qbf h LEU 51 N 1.26 -0.32 0.00 1.56 3.38 -1.31 -2.27 115.31 117.61 2qbf h LEU 51 Ca 0.32 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2qbf h LEU 51 Cb 0.02 0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2qbf h LEU 51 CO -0.05 -0.02 0.00 -0.62 0.09 0.00 0.00 178.44 177.83 2qbf n GLU 52 N -5.15 0.27 -0.02 1.13 -0.58 0.57 -1.40 120.64 115.46 2qbf n GLU 52 Ca -0.10 0.00 0.05 0.00 -0.42 0.00 0.00 57.16 56.70 2qbf n GLU 52 Cb 0.24 -1.19 -0.13 0.00 -0.57 0.00 0.00 31.44 29.80 2qbf n GLU 52 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 2qbf n LEU 53 N -0.69 0.00 -0.39 -4.62 -0.00 -0.85 -4.61 117.00 105.86 2qbf n LEU 53 Ca 0.02 0.00 0.03 0.00 -0.00 0.00 0.00 56.01 56.07 2qbf n LEU 53 Cb 0.01 0.07 0.05 0.00 -0.00 0.00 0.00 43.42 43.55 2qbf n LEU 53 CO 0.02 0.07 0.35 1.33 -0.00 0.00 0.00 177.39 179.16 2qbf n VAL 54 N -2.17 0.60 -1.49 1.96 0.24 -0.49 -5.09 118.33 111.89 2qbf n VAL 54 Ca -0.07 -0.75 -0.00 0.00 -2.04 0.00 0.00 64.34 61.48 2qbf n VAL 54 Cb 0.54 0.27 -0.00 0.00 -1.47 0.00 0.00 33.84 33.18 2qbf n VAL 54 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2qbf n ASP 55 N -0.45 -3.93 -3.02 -1.34 8.00 -0.53 -5.07 116.55 110.22 2qbf n ASP 55 Ca 0.05 0.56 -0.18 0.00 0.71 0.00 0.00 54.79 55.94 2qbf n ASP 55 Cb 0.69 -2.34 -0.07 0.00 -0.02 0.00 0.00 41.12 39.38 2qbf n ASP 55 CO 0.00 0.00 0.00 1.15 -0.39 0.00 0.00 177.20 177.96 2qbf n MET 56 N 0.57 0.37 0.00 -1.24 0.00 -1.21 -4.69 117.12 110.92 2qbf n MET 56 Ca -0.02 -3.01 0.00 0.00 0.00 0.00 0.00 57.70 54.67 2qbf n MET 56 Cb 0.03 2.47 0.00 0.00 0.00 0.00 0.00 33.22 35.72 2qbf n MET 56 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 2qbf n VAL 57 N -0.57 0.00 -2.14 3.17 0.31 -1.20 -4.47 118.33 113.43 2qbf n VAL 57 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 2qbf n VAL 57 Cb 0.55 0.00 0.10 0.00 -0.91 0.00 0.00 33.84 33.57 2qbf n VAL 57 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2qbf n GLU 58 N -1.64 1.31 0.00 5.55 -0.58 -0.92 -2.30 120.64 122.06 2qbf n GLU 58 Ca 0.00 -2.98 0.00 0.00 -0.42 0.00 0.00 57.16 53.76 2qbf n GLU 58 Cb 0.00 -1.12 0.00 0.00 -0.57 0.00 0.00 31.44 29.75 2qbf n GLU 58 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2qbf n LYS 59 N -0.42 0.00 -3.86 3.49 0.00 -0.65 -4.89 118.16 111.83 2qbf n LYS 59 Ca 0.16 0.00 0.01 0.00 0.00 0.00 0.00 58.31 58.48 2qbf n LYS 59 Cb 0.91 -0.09 0.01 0.00 0.00 0.00 0.00 35.03 35.86 2qbf n LYS 59 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.40 176.92 2qbf s LEU 60 N -1.61 -0.02 0.39 3.14 2.34 0.32 -2.44 118.68 120.80 2qbf s LEU 60 Ca 0.00 -0.29 0.04 0.00 0.06 0.00 0.00 54.13 53.94 2qbf s LEU 60 Cb 0.00 1.53 -0.05 0.00 -0.56 0.00 0.00 46.19 47.11 2qbf s LEU 60 CO 0.00 -0.47 0.06 1.51 -1.06 0.00 0.00 176.35 176.39 2qbf s ASP 61 N -3.46 3.06 0.21 1.48 1.47 0.49 -2.99 116.67 116.93 2qbf s ASP 61 Ca 0.23 -1.50 0.02 0.00 1.18 0.00 0.00 52.55 52.48 2qbf s ASP 61 Cb 0.00 0.12 -0.05 0.00 -0.34 0.00 0.00 42.92 42.65 2qbf s ASP 61 CO -0.00 -0.71 0.04 -0.76 0.68 0.00 0.00 175.17 174.42 2qbf s LEU 62 N -3.63 1.94 -0.42 2.11 2.01 0.20 -1.28 118.68 119.62 2qbf s LEU 62 Ca 0.28 -1.26 0.04 0.00 0.01 0.00 0.00 54.13 53.20 2qbf s LEU 62 Cb 0.06 -0.05 0.17 0.00 0.01 0.00 0.00 46.19 46.38 2qbf s LEU 62 CO 0.13 -0.62 0.40 -0.47 1.01 0.00 0.00 176.35 176.81 2qbf s TYR 63 N -3.66 0.35 0.54 0.29 5.04 -1.08 -3.26 117.35 115.55 2qbf s TYR 63 Ca 0.30 -1.72 -0.18 0.00 -2.44 0.00 0.00 57.07 53.03 2qbf s TYR 63 Cb 0.07 -0.61 -0.06 0.00 0.35 0.00 0.00 41.96 41.70 2qbf s TYR 63 CO 0.08 -0.93 1.04 0.42 -1.34 0.00 0.00 175.55 174.82 2qbf s ILE 64 N 0.51 3.84 -0.43 3.14 1.09 0.21 -3.40 121.20 126.16 2qbf s ILE 64 Ca 0.29 1.00 0.08 0.00 -1.10 0.00 0.00 60.65 60.92 2qbf s ILE 64 Cb -0.02 -3.44 0.28 0.00 -1.06 0.00 0.00 42.46 38.22 2qbf s ILE 64 CO -0.12 -0.39 0.78 0.41 -0.10 0.00 0.00 174.94 175.52 2qbf n THR 65 N -1.48 -0.26 -3.61 2.92 -1.04 0.17 -2.19 114.28 108.78 2qbf n THR 65 Ca 0.09 -2.94 -0.30 0.00 -2.04 0.00 0.00 64.05 58.86 2qbf n THR 65 Cb 0.53 0.02 -0.04 0.00 -1.82 0.00 0.00 70.33 69.02 2qbf n THR 65 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2qbf s VAL 66 N -0.62 5.14 -0.03 12.58 0.11 -1.26 -3.26 120.40 133.07 2qbf s VAL 66 Ca 0.33 -0.06 -0.29 0.00 -2.93 0.00 0.00 61.98 59.03 2qbf s VAL 66 Cb 0.25 -3.67 0.07 0.00 -1.53 0.00 0.00 36.38 31.49 2qbf s VAL 66 CO -0.13 -0.09 0.64 -1.59 -3.33 0.00 0.00 175.10 170.60 2qbf s LYS 67 N -3.00 1.05 0.00 1.54 -2.85 0.21 -4.81 119.74 111.88 2qbf s LYS 67 Ca 0.41 0.15 0.00 0.00 -1.00 0.00 0.00 55.97 55.53 2qbf s LYS 67 Cb -0.12 0.49 0.00 0.00 -2.06 0.00 0.00 37.83 36.15 2qbf s LYS 67 CO 0.27 -0.34 0.00 0.41 0.10 0.00 0.00 175.35 175.78 2qbf n GLY 68 N 0.80 -1.44 0.00 0.59 0.00 -1.26 -0.40 105.19 103.49 2qbf n GLY 68 Ca -0.19 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.68 2qbf n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qbf n GLY 69 N 0.64 0.29 2.67 -0.02 0.00 -0.74 -3.73 105.19 104.31 2qbf n GLY 69 Ca 0.00 -1.87 -0.16 0.00 0.00 0.00 0.00 46.02 43.99 2qbf n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qbf n GLY 70 N 0.00 3.06 0.02 -0.02 0.00 -1.26 -4.92 105.19 102.07 2qbf n GLY 70 Ca 0.00 -1.84 -0.01 0.00 0.00 0.00 0.00 46.02 44.17 2qbf n GLY 70 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2qbf h ILE 71 N 1.89 0.00 -0.49 -0.61 5.03 -1.99 1.03 117.51 122.37 2qbf h ILE 71 Ca -0.20 0.00 0.12 0.00 -0.12 0.00 0.00 64.86 64.66 2qbf h ILE 71 Cb 1.00 0.00 -0.02 0.00 -3.03 0.00 0.00 36.82 34.76 2qbf h ILE 71 CO 0.28 0.00 0.34 0.77 -0.68 0.00 0.00 178.15 178.87 2qbf h SER 72 N -0.01 0.10 0.19 1.72 4.64 -1.98 -1.46 113.55 116.74 2qbf h SER 72 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.32 2qbf h SER 72 Cb 0.03 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 2qbf h SER 72 CO -0.03 0.06 -0.09 1.23 -0.87 0.00 0.00 176.83 177.12 2qbf h GLY 73 N 0.11 -0.27 -0.53 -0.77 0.00 -0.64 0.78 103.07 101.76 2qbf h GLY 73 Ca 0.23 0.10 0.12 0.00 0.00 0.00 0.00 47.33 47.78 2qbf h GLY 73 CO -0.03 -0.10 -0.31 1.46 0.00 0.00 0.00 176.54 177.57 2qbf h GLN 74 N -0.28 -0.09 0.08 4.80 7.50 0.11 0.40 115.11 127.63 2qbf h GLN 74 Ca -0.03 0.01 0.01 0.00 0.50 0.00 0.00 58.65 59.14 2qbf h GLN 74 Cb 0.20 0.02 -0.04 0.00 0.05 0.00 0.00 27.48 27.71 2qbf h GLN 74 CO 0.04 -0.06 -0.40 0.00 -1.50 0.00 0.00 178.83 176.91 2qbf h ALA 75 N 1.24 -0.88 -0.72 3.87 0.00 -1.28 0.50 119.26 122.00 2qbf h ALA 75 Ca 0.28 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.19 2qbf h ALA 75 Cb 0.56 0.80 -0.05 0.00 0.00 0.00 0.00 17.79 19.10 2qbf h ALA 75 CO -0.75 -0.98 0.48 0.78 0.00 0.00 0.00 179.25 178.77 2qbf h GLY 76 N -0.55 0.93 0.64 0.00 0.00 -0.03 -1.56 103.07 102.50 2qbf h GLY 76 Ca -0.00 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.04 2qbf h GLY 76 CO -0.22 0.19 -0.03 0.00 0.00 0.00 0.00 176.54 176.48 2qbf h ALA 77 N 1.62 -0.10 -0.12 3.60 0.00 0.53 -2.89 119.26 121.90 2qbf h ALA 77 Ca 0.32 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 55.08 2qbf h ALA 77 Cb 0.34 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 2qbf h ALA 77 CO -0.11 -0.37 -0.10 0.82 0.00 0.00 0.00 179.25 179.49 2qbf h ILE 78 N -0.46 0.71 -0.86 0.00 2.04 0.39 -0.70 117.51 118.63 2qbf h ILE 78 Ca -0.01 0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.07 2qbf h ILE 78 Cb 0.40 0.71 -0.05 0.00 -0.74 0.00 0.00 36.82 37.14 2qbf h ILE 78 CO 0.02 0.00 0.59 -0.09 0.00 0.00 0.00 178.15 178.66 2qbf h ARG 79 N -0.11 0.22 -0.04 2.37 2.43 -1.33 0.40 114.38 118.31 2qbf h ARG 79 Ca 0.08 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.21 2qbf h ARG 79 Cb 0.23 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.73 2qbf h ARG 79 CO -0.19 0.14 -0.07 1.25 -1.51 0.00 0.00 179.97 179.59 2qbf h HIS 80 N 0.22 0.16 -0.09 2.20 2.76 -0.94 -2.45 115.15 117.01 2qbf h HIS 80 Ca 0.43 -0.05 0.02 0.00 -2.20 0.00 0.00 60.37 58.57 2qbf h HIS 80 Cb 1.33 -0.03 -0.02 0.00 1.55 0.00 0.00 27.41 30.24 2qbf h HIS 80 CO -0.00 0.64 -0.04 0.78 -1.30 0.00 0.00 177.93 178.01 2qbf h GLY 81 N -0.37 0.04 0.15 5.26 0.00 -0.05 0.13 103.07 108.22 2qbf h GLY 81 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.39 2qbf h GLY 81 CO 0.02 -0.06 -0.38 -2.22 0.00 0.00 0.00 176.54 173.90 2qbf h ILE 82 N -0.04 0.00 -0.64 2.60 2.04 -1.11 0.24 117.51 120.59 2qbf h ILE 82 Ca 0.05 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.06 2qbf h ILE 82 Cb 0.12 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.16 2qbf h ILE 82 CO -0.12 0.00 0.45 0.00 0.00 0.00 0.00 178.15 178.48 2qbf h THR 83 N -0.58 0.77 -0.08 -0.27 1.03 -1.34 0.38 112.91 112.82 2qbf h THR 83 Ca -0.01 -0.07 -0.02 0.00 -0.01 0.00 0.00 66.41 66.30 2qbf h THR 83 Cb 0.56 0.54 -0.00 0.00 -1.07 0.00 0.00 68.15 68.18 2qbf h THR 83 CO -0.17 0.04 -0.02 0.03 -0.01 0.00 0.00 175.52 175.38 2qbf h ARG 84 N 0.21 0.16 -0.04 0.00 2.47 0.49 -3.17 114.38 114.51 2qbf h ARG 84 Ca 0.31 -0.06 -0.14 0.00 -1.26 0.00 0.00 59.98 58.83 2qbf h ARG 84 Cb 0.93 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 29.23 2qbf h ARG 84 CO -0.06 0.49 -0.61 0.00 0.56 0.00 0.00 179.97 180.35 2qbf h ALA 85 N 0.66 0.90 -0.62 0.04 0.00 0.62 -3.00 119.26 117.87 2qbf h ALA 85 Ca 0.02 -0.55 0.18 0.00 0.00 0.00 0.00 54.91 54.56 2qbf h ALA 85 Cb 0.43 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2qbf h ALA 85 CO 0.01 0.74 0.63 -0.07 0.00 0.00 0.00 179.25 180.56 2qbf h LEU 86 N 0.11 0.00 -0.35 0.00 4.07 -0.25 0.21 115.31 119.09 2qbf h LEU 86 Ca -0.01 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 57.88 2qbf h LEU 86 Cb 1.10 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.83 2qbf h LEU 86 CO 0.09 0.00 -0.08 -0.03 -1.08 0.00 0.00 178.44 177.34 2qbf h MET 87 N 0.00 0.67 -0.94 1.13 1.85 -1.59 -2.60 114.93 113.46 2qbf h MET 87 Ca 0.29 -0.25 0.13 0.00 -0.61 0.00 0.00 59.70 59.26 2qbf h MET 87 Cb 1.54 -0.04 -0.08 0.00 0.43 0.00 0.00 31.60 33.46 2qbf h MET 87 CO -0.00 0.83 0.60 0.93 -0.40 0.00 0.00 176.91 178.86 2qbf h GLU 88 N 0.46 0.81 0.00 0.39 5.08 -0.75 0.49 114.58 121.06 2qbf h GLU 88 Ca 0.09 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.30 2qbf h GLU 88 Cb 0.58 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 2qbf h GLU 88 CO 0.03 0.54 -0.47 -0.92 -1.00 0.00 0.00 179.01 177.19 2qbf h TYR 89 N 0.84 0.00 -0.45 4.33 3.20 -1.47 -3.42 116.97 120.00 2qbf h TYR 89 Ca 0.47 0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.42 2qbf h TYR 89 Cb 0.60 0.00 -0.18 0.00 1.54 0.00 0.00 36.73 38.69 2qbf h TYR 89 CO -0.00 0.47 -0.20 0.34 -1.64 0.00 0.00 178.16 177.13 2qbf s ASP 90 N -6.61 -0.70 0.43 -2.11 3.68 0.69 -5.01 116.67 107.04 2qbf s ASP 90 Ca -0.00 -0.29 0.19 0.00 2.13 0.00 0.00 52.55 54.57 2qbf s ASP 90 Cb 0.12 0.96 1.04 0.00 -1.45 0.00 0.00 42.92 43.58 2qbf s ASP 90 CO 0.72 -0.08 1.52 -0.08 0.13 0.00 0.00 175.17 177.38 2qbf h GLU 91 N 6.10 0.00 0.29 4.34 4.22 -0.46 -2.78 114.58 126.30 2qbf h GLU 91 Ca -0.02 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.41 2qbf h GLU 91 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 2qbf h GLU 91 CO -0.02 0.00 -0.14 1.03 -2.18 0.00 0.00 179.01 177.70 2qbf h SER 92 N 0.00 -0.33 0.00 1.04 0.87 -1.94 -3.17 113.55 110.01 2qbf h SER 92 Ca 0.00 -0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.37 2qbf h SER 92 Cb 0.57 0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.61 2qbf h SER 92 CO 0.00 0.13 0.20 0.00 -0.53 0.00 0.00 176.83 176.63 2qbf n LEU 93 N -5.06 0.22 -0.10 2.23 -0.00 -1.05 -2.26 117.00 110.97 2qbf n LEU 93 Ca -0.08 0.49 -0.06 0.00 -0.00 0.00 0.00 56.01 56.36 2qbf n LEU 93 Cb 0.26 -0.47 0.01 0.00 -0.00 0.00 0.00 43.42 43.21 2qbf n LEU 93 CO 0.25 -0.56 0.76 0.03 -0.00 0.00 0.00 177.39 177.87 2qbf h ARG 94 N 0.00 -0.07 -0.89 1.47 2.47 -1.68 -1.63 114.38 114.05 2qbf h ARG 94 Ca 0.00 0.00 0.24 0.00 -1.26 0.00 0.00 59.98 58.96 2qbf h ARG 94 Cb 0.40 0.02 -0.16 0.00 -1.65 0.00 0.00 29.97 28.58 2qbf h ARG 94 CO 0.00 -0.04 0.11 1.03 0.56 0.00 0.00 179.97 181.62 2qbf h SER 95 N -0.07 -0.26 0.35 7.04 0.87 -1.68 0.47 113.55 120.28 2qbf h SER 95 Ca 0.18 0.23 -0.12 0.00 -1.23 0.00 0.00 61.79 60.85 2qbf h SER 95 Cb 0.35 0.37 -0.01 0.00 -0.44 0.00 0.00 62.40 62.66 2qbf h SER 95 CO -0.41 -0.25 -0.52 -0.33 -0.53 0.00 0.00 176.83 174.79 2qbf h GLU 96 N 0.10 0.19 -0.39 2.24 4.39 -1.53 -2.77 114.58 116.81 2qbf h GLU 96 Ca 0.54 -0.11 -0.11 0.00 0.34 0.00 0.00 59.36 60.03 2qbf h GLU 96 Cb 1.09 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.74 2qbf h GLU 96 CO -0.76 0.66 -0.20 -0.07 -1.16 0.00 0.00 179.01 177.48 2qbf h LEU 97 N 0.15 0.76 -0.51 1.33 3.38 0.37 -2.95 115.31 117.85 2qbf h LEU 97 Ca 0.00 -0.26 -0.05 0.00 0.09 0.00 0.00 57.88 57.66 2qbf h LEU 97 Cb 0.96 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 2qbf h LEU 97 CO 0.08 0.95 0.11 -0.09 0.09 0.00 0.00 178.44 179.57 2qbf h ARG 98 N 0.67 0.82 -0.17 1.13 2.43 -0.98 -2.22 114.38 116.06 2qbf h ARG 98 Ca 0.10 -0.21 0.05 0.00 -0.81 0.00 0.00 59.98 59.11 2qbf h ARG 98 Cb 0.70 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.14 2qbf h ARG 98 CO 0.05 0.80 0.22 -0.22 -1.51 0.00 0.00 179.97 179.31 2qbf h LYS 99 N 0.71 0.00 -0.01 0.20 3.64 -1.32 0.40 116.57 120.19 2qbf h LYS 99 Ca 0.16 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 2qbf h LYS 99 Cb 0.36 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 2qbf h LYS 99 CO 0.01 0.00 -0.22 0.00 -2.27 0.00 0.00 179.45 176.97 2qbf n ALA 100 N -2.27 3.00 -2.53 5.00 0.00 -0.87 -4.94 120.51 117.90 2qbf n ALA 100 Ca 0.01 -0.42 -0.09 0.00 0.00 0.00 0.00 53.44 52.94 2qbf n ALA 100 Cb 0.33 -1.12 0.01 0.00 0.00 0.00 0.00 19.45 18.68 2qbf n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qbf n GLY 101 N 1.31 0.19 0.13 0.00 0.00 0.14 -4.95 105.19 102.02 2qbf n GLY 101 Ca 0.13 -0.43 -0.22 0.00 0.00 0.00 0.00 46.02 45.50 2qbf n GLY 101 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2qbf n PHE 102 N -3.76 0.02 -0.26 1.61 0.99 -1.02 -4.46 117.46 110.60 2qbf n PHE 102 Ca -0.05 0.01 0.13 0.00 -0.00 0.00 0.00 57.45 57.54 2qbf n PHE 102 Cb 0.55 -1.00 0.41 0.00 -1.00 0.00 0.00 39.48 38.43 2qbf n PHE 102 CO 0.00 0.00 0.00 -0.39 -0.00 0.00 0.00 176.76 176.37 2qbf h VAL 103 N -0.36 0.81 -3.99 -4.37 -1.51 -1.85 -3.43 116.25 101.54 2qbf h VAL 103 Ca -0.62 -0.22 -0.48 0.00 -1.23 0.00 0.00 66.70 64.15 2qbf h VAL 103 Cb 1.80 0.12 0.16 0.00 -2.13 0.00 0.00 31.29 31.24 2qbf h VAL 103 CO -0.21 0.11 0.22 0.42 -1.23 0.00 0.00 177.57 176.88 2qbf s THR 104 N -5.62 2.51 -0.12 7.19 -4.23 -1.26 -5.01 115.64 109.09 2qbf s THR 104 Ca -0.10 0.17 0.03 0.00 -1.18 0.00 0.00 61.69 60.61 2qbf s THR 104 Cb 0.22 -2.56 0.01 0.00 1.34 0.00 0.00 72.50 71.51 2qbf s THR 104 CO 0.79 -0.22 -0.21 -0.60 -0.54 0.00 0.00 174.62 173.84 2qbf s ARG 105 N -4.86 2.87 -0.88 3.99 3.00 -1.26 -5.01 118.95 116.81 2qbf s ARG 105 Ca 0.64 -0.80 -0.25 0.00 -1.00 0.00 0.00 55.73 54.32 2qbf s ARG 105 Cb -0.19 -2.30 -0.07 0.00 0.00 0.00 0.00 34.95 32.40 2qbf s ARG 105 CO 0.58 0.02 2.05 -0.51 0.00 0.00 0.00 175.30 177.44 2qbf s ASP 106 N 0.73 4.87 0.62 -2.12 -0.00 -1.26 -4.76 116.67 114.75 2qbf s ASP 106 Ca -0.10 -0.51 0.33 0.00 -0.00 0.00 0.00 52.55 52.27 2qbf s ASP 106 Cb -0.16 -2.56 1.91 0.00 -0.00 0.00 0.00 42.92 42.11 2qbf s ASP 106 CO 0.01 -2.99 2.19 0.00 -0.00 0.00 0.00 175.17 174.38 2qbf h ALA 107 N 11.62 1.47 -1.25 5.23 0.00 -1.97 -3.38 119.26 130.98 2qbf h ALA 107 Ca 0.07 -0.00 -0.71 0.00 0.00 0.00 0.00 54.91 54.27 2qbf h ALA 107 Cb 1.01 0.00 0.08 0.00 0.00 0.00 0.00 17.79 18.88 2qbf h ALA 107 CO 1.17 -0.14 -0.03 0.54 0.00 0.00 0.00 179.25 180.78 2qbf n ARG 108 N -3.52 0.39 -3.56 0.00 1.74 -1.26 -4.90 116.66 105.54 2qbf n ARG 108 Ca -0.01 0.14 -0.16 0.00 -0.77 0.00 0.00 57.85 57.05 2qbf n ARG 108 Cb 0.20 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 30.08 2qbf n ARG 108 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 2qbf s GLN 109 N -0.40 1.01 0.21 5.56 -0.44 -1.26 -4.20 119.66 120.14 2qbf s GLN 109 Ca 0.78 0.02 -0.31 0.00 -2.50 0.00 0.00 55.36 53.34 2qbf s GLN 109 Cb -1.04 0.47 -0.15 0.00 -1.64 0.00 0.00 33.01 30.66 2qbf s GLN 109 CO 0.55 -0.34 1.19 0.28 0.50 0.00 0.00 175.29 177.47 2qbf n VAL 110 N 0.74 1.14 -3.05 1.34 0.31 -1.26 -4.93 118.33 112.62 2qbf n VAL 110 Ca -0.19 -0.29 -0.38 0.00 -0.01 0.00 0.00 64.34 63.47 2qbf n VAL 110 Cb 0.58 -1.02 -0.06 0.00 -0.91 0.00 0.00 33.84 32.43 2qbf n VAL 110 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2qbf s GLU 111 N -0.64 4.43 0.41 5.55 2.02 -1.26 -5.04 118.70 124.17 2qbf s GLU 111 Ca 0.69 1.03 -0.25 0.00 0.02 0.00 0.00 54.97 56.45 2qbf s GLU 111 Cb -0.77 -3.12 -0.08 0.00 0.10 0.00 0.00 34.13 30.25 2qbf s GLU 111 CO 0.53 0.51 1.20 -0.98 0.02 0.00 0.00 175.26 176.55 2qbf s ARG 112 N -1.43 3.97 0.01 1.61 1.70 -1.26 -4.85 118.95 118.70 2qbf s ARG 112 Ca 0.38 1.91 -0.30 0.00 -0.47 0.00 0.00 55.73 57.24 2qbf s ARG 112 Cb -0.21 -2.65 -0.04 0.00 -0.57 0.00 0.00 34.95 31.49 2qbf s ARG 112 CO 0.24 -0.41 1.06 0.21 -1.08 0.00 0.00 175.30 175.32 2qbf s LYS 113 N -2.35 4.50 0.30 3.89 2.20 -1.26 -4.43 119.74 122.59 2qbf s LYS 113 Ca 0.58 1.54 0.01 0.00 -0.36 0.00 0.00 55.97 57.74 2qbf s LYS 113 Cb -0.32 -3.43 -0.03 0.00 -1.51 0.00 0.00 37.83 32.53 2qbf s LYS 113 CO 0.40 -0.16 0.49 0.15 -0.36 0.00 0.00 175.35 175.88 2qbf s LYS 114 N 1.16 3.49 0.64 4.03 3.01 -1.26 -4.87 119.74 125.93 2qbf s LYS 114 Ca 0.54 -0.40 -0.15 0.00 -1.01 0.00 0.00 55.97 54.95 2qbf s LYS 114 Cb -0.24 -2.73 -0.01 0.00 -1.01 0.00 0.00 37.83 33.84 2qbf s LYS 114 CO 0.27 0.24 1.08 0.54 0.51 0.00 0.00 175.35 177.99 2qbf s VAL 115 N -2.18 3.63 0.00 3.17 0.11 -1.26 -3.38 120.40 120.50 2qbf s VAL 115 Ca 0.39 0.72 0.00 0.00 -2.93 0.00 0.00 61.98 60.16 2qbf s VAL 115 Cb -0.10 -3.27 0.00 0.00 -1.53 0.00 0.00 36.38 31.49 2qbf s VAL 115 CO 0.33 -0.51 0.00 0.61 -3.33 0.00 0.00 175.10 172.20 2qbf n GLY 116 N -0.99 1.42 0.00 6.54 0.00 -1.26 -4.94 105.19 105.96 2qbf n GLY 116 Ca 0.09 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2qbf n GLY 116 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qbf n LEU 117 N 0.00 0.00 0.00 0.99 4.77 -1.22 -4.68 117.00 116.87 2qbf n LEU 117 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2qbf n LEU 117 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2qbf n LEU 117 CO 0.00 -0.47 -0.07 -1.14 -1.33 0.00 0.00 177.39 174.38 2qbf n ARG 118 N -0.78 3.11 -2.69 3.23 0.63 0.20 -4.82 116.66 115.54 2qbf n ARG 118 Ca 0.00 0.00 -0.06 0.00 -0.92 0.00 0.00 57.85 56.87 2qbf n ARG 118 Cb 0.00 -0.39 0.08 0.00 0.45 0.00 0.00 32.46 32.60 2qbf n ARG 118 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 2qbf n LYS 119 N -0.48 0.79 -0.14 -0.14 4.81 -1.09 -4.93 118.16 116.97 2qbf n LYS 119 Ca 0.00 -1.43 0.00 0.00 -0.87 0.00 0.00 58.31 56.01 2qbf n LYS 119 Cb 0.00 -0.23 0.00 0.00 0.02 0.00 0.00 35.03 34.82 2qbf n LYS 119 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2qbf n ALA 120 N -0.28 0.00 0.06 3.14 0.00 -1.26 -3.90 120.51 118.27 2qbf n ALA 120 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2qbf n ALA 120 Cb 0.76 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 19.73 2qbf n ALA 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qbf n ARG 121 N -2.00 0.00 -1.98 0.00 5.12 -1.26 -4.77 116.66 111.77 2qbf n ARG 121 Ca 0.00 0.00 -0.43 0.00 -1.93 0.00 0.00 57.85 55.49 2qbf n ARG 121 Cb 0.00 0.00 -0.03 0.00 -1.16 0.00 0.00 32.46 31.27 2qbf n ARG 121 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 2qbf s ARG 122 N -2.00 3.78 -0.10 5.56 3.52 -1.25 -4.81 118.95 123.64 2qbf s ARG 122 Ca 0.00 1.88 -0.03 0.00 -0.13 0.00 0.00 55.73 57.45 2qbf s ARG 122 Cb 0.00 -4.10 -0.03 0.00 -1.56 0.00 0.00 34.95 29.26 2qbf s ARG 122 CO 0.00 -1.33 0.02 -0.98 -0.81 0.00 0.00 175.30 172.20 2qbf s ARG 123 N 4.83 3.16 0.40 5.12 1.70 -1.26 0.60 118.95 133.51 2qbf s ARG 123 Ca 0.78 -0.38 -0.25 0.00 -0.47 0.00 0.00 55.73 55.40 2qbf s ARG 123 Cb -0.29 -2.88 -0.11 0.00 -0.57 0.00 0.00 34.95 31.11 2qbf s ARG 123 CO 0.32 0.64 1.16 -0.35 -1.08 0.00 0.00 175.30 175.98 2qbf n PRO 124 N 2.34 1.69 -2.13 3.89 -0.04 -1.26 -4.93 135.00 134.55 2qbf n PRO 124 Ca -0.18 0.60 -0.35 0.00 -0.04 0.00 0.00 63.50 63.53 2qbf n PRO 124 Cb 0.54 -2.21 0.01 0.00 -0.04 0.00 0.00 33.50 31.80 2qbf n PRO 124 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 2qbf s GLN 125 N -2.05 3.22 0.00 0.54 -2.07 -1.26 -4.95 119.66 113.09 2qbf s GLN 125 Ca 0.61 1.55 0.00 0.00 -1.82 0.00 0.00 55.36 55.71 2qbf s GLN 125 Cb -0.55 -1.99 0.00 0.00 -1.09 0.00 0.00 33.01 29.38 2qbf s GLN 125 CO 0.58 -0.95 0.00 1.97 -1.32 0.00 0.00 175.29 175.58 2qbf n PHE 126 N -1.58 0.00 0.00 9.60 1.16 -1.26 -5.07 117.46 120.31 2qbf n PHE 126 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.69 2qbf n PHE 126 Cb 0.51 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.38 2qbf n PHE 126 CO 0.00 0.00 0.00 -1.13 -1.87 0.00 0.00 176.76 173.76 2qbf n SER 127 N -0.96 0.00 -3.93 5.98 3.41 -1.26 -4.51 113.62 112.35 2qbf n SER 127 Ca 0.00 0.00 -0.56 0.00 -0.26 0.00 0.00 58.87 58.05 2qbf n SER 127 Cb 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 63.86 2qbf n SER 127 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2qbf n LYS 128 N 9.13 0.00 0.00 4.33 4.81 -1.26 -5.34 118.16 129.83 2qbf n LYS 128 Ca 0.00 0.00 0.14 0.00 -0.87 0.00 0.00 58.31 57.58 2qbf n LYS 128 Cb 0.00 -1.28 0.43 0.00 0.02 0.00 0.00 35.03 34.20 2qbf n LYS 128 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11