#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbh s GLN 4 N 0.00 3.26 -0.21 1.20 0.74 -1.26 -4.60 119.66 118.79 2qbh s GLN 4 Ca 0.00 -0.86 -0.04 0.00 0.05 0.00 0.00 55.36 54.52 2qbh s GLN 4 Cb 0.00 -2.83 0.11 0.00 1.10 0.00 0.00 33.01 31.39 2qbh s GLN 4 CO 0.00 0.20 0.30 0.71 -0.55 0.00 0.00 175.29 175.95 2qbh s TYR 5 N -2.12 -0.53 0.06 1.67 1.51 0.06 -4.97 117.35 113.04 2qbh s TYR 5 Ca 0.40 0.57 -0.20 0.00 -1.01 0.00 0.00 57.07 56.84 2qbh s TYR 5 Cb -0.09 -0.16 -0.06 0.00 -0.11 0.00 0.00 41.96 41.53 2qbh s TYR 5 CO 0.31 -0.63 0.59 -0.47 -1.11 0.00 0.00 175.55 174.24 2qbh s TYR 6 N 2.43 3.79 -0.13 2.71 6.14 -1.25 0.20 117.35 131.24 2qbh s TYR 6 Ca 0.09 1.29 0.02 0.00 0.64 0.00 0.00 57.07 59.10 2qbh s TYR 6 Cb -0.15 -2.55 0.02 0.00 0.42 0.00 0.00 41.96 39.70 2qbh s TYR 6 CO -0.13 0.53 -0.17 0.20 0.64 0.00 0.00 175.55 176.61 2qbh s GLY 7 N -0.89 1.16 0.00 8.97 0.00 0.26 -4.36 107.32 112.45 2qbh s GLY 7 Ca 0.30 -0.89 0.00 0.00 0.00 0.00 0.00 44.72 44.13 2qbh s GLY 7 CO 0.19 0.24 0.00 -1.30 0.00 0.00 0.00 173.10 172.23 2qbh n THR 8 N 4.33 0.00 -1.04 0.90 -2.24 -1.26 0.53 114.28 115.51 2qbh n THR 8 Ca -0.19 0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 2qbh n THR 8 Cb 0.51 -0.85 0.00 0.00 -2.10 0.00 0.00 70.33 67.89 2qbh n THR 8 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qbh n GLY 9 N 0.94 -3.88 3.48 3.38 0.00 -1.26 -3.52 105.19 104.32 2qbh n GLY 9 Ca 0.00 -0.57 -0.10 0.00 0.00 0.00 0.00 46.02 45.35 2qbh n GLY 9 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2qbh s ARG 10 N -2.16 0.98 0.00 1.61 1.70 -1.26 0.10 118.95 119.92 2qbh s ARG 10 Ca 0.00 -0.33 0.00 0.00 -0.47 0.00 0.00 55.73 54.93 2qbh s ARG 10 Cb 0.00 0.45 0.00 0.00 -0.57 0.00 0.00 34.95 34.83 2qbh s ARG 10 CO 0.00 -0.42 0.00 2.89 -1.08 0.00 0.00 175.30 176.69 2qbh n ARG 11 N -0.23 0.00 -3.83 3.89 1.85 -0.44 -4.68 116.66 113.22 2qbh n ARG 11 Ca -0.12 0.00 -0.28 0.00 -1.00 0.00 0.00 57.85 56.45 2qbh n ARG 11 Cb 0.63 0.00 0.01 0.00 -1.05 0.00 0.00 32.46 32.05 2qbh n ARG 11 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 2qbh n LYS 12 N -0.21 -2.55 -3.60 2.89 5.02 -1.26 -1.02 118.16 117.44 2qbh n LYS 12 Ca 0.00 0.43 -0.27 0.00 -2.02 0.00 0.00 58.31 56.45 2qbh n LYS 12 Cb 0.00 -4.37 0.02 0.00 -0.02 0.00 0.00 35.03 30.66 2qbh n LYS 12 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2qbh n SER 13 N -2.85 -4.84 -3.73 4.39 3.41 -1.26 -4.42 113.62 104.33 2qbh n SER 13 Ca -0.22 -0.58 -0.29 0.00 -0.26 0.00 0.00 58.87 57.52 2qbh n SER 13 Cb 0.65 -3.90 -0.15 0.00 -0.26 0.00 0.00 64.21 60.54 2qbh n SER 13 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2qbh s SER 14 N -3.04 3.67 -0.26 4.04 0.15 -0.18 -0.26 113.70 117.81 2qbh s SER 14 Ca 0.53 -1.36 -0.13 0.00 0.70 0.00 0.00 55.95 55.69 2qbh s SER 14 Cb -0.27 -0.76 -0.04 0.00 -1.71 0.00 0.00 66.02 63.24 2qbh s SER 14 CO 0.66 -0.38 0.29 0.00 1.20 0.00 0.00 173.24 175.01 2qbh s ALA 15 N 1.72 3.56 0.37 5.45 0.00 -0.71 -1.32 121.76 130.82 2qbh s ALA 15 Ca 0.06 -0.87 0.08 0.00 0.00 0.00 0.00 51.96 51.22 2qbh s ALA 15 Cb -0.17 -2.58 -0.03 0.00 0.00 0.00 0.00 23.12 20.34 2qbh s ALA 15 CO -0.21 -0.52 0.31 0.00 0.00 0.00 0.00 175.76 175.34 2qbh s ALA 16 N 1.74 3.88 -0.12 0.00 0.00 0.11 -1.09 121.76 126.28 2qbh s ALA 16 Ca 0.12 -1.78 -0.04 0.00 0.00 0.00 0.00 51.96 50.26 2qbh s ALA 16 Cb -0.15 -1.04 0.06 0.00 0.00 0.00 0.00 23.12 21.99 2qbh s ALA 16 CO 0.09 -0.09 0.21 1.03 0.00 0.00 0.00 175.76 177.01 2qbh s ARG 17 N -4.03 0.11 0.20 0.00 0.52 0.28 -4.27 118.95 111.76 2qbh s ARG 17 Ca 0.43 0.58 0.08 0.00 -0.52 0.00 0.00 55.73 56.30 2qbh s ARG 17 Cb -0.04 -0.34 -0.04 0.00 0.52 0.00 0.00 34.95 35.05 2qbh s ARG 17 CO 0.27 -0.36 -0.03 0.08 0.02 0.00 0.00 175.30 175.28 2qbh s VAL 18 N 2.35 3.51 -0.43 3.52 1.01 0.19 0.11 120.40 130.67 2qbh s VAL 18 Ca 0.03 -1.61 0.07 0.00 0.00 0.00 0.00 61.98 60.47 2qbh s VAL 18 Cb -0.13 -2.79 0.24 0.00 0.00 0.00 0.00 36.38 33.70 2qbh s VAL 18 CO -0.08 -0.18 0.52 0.49 0.00 0.00 0.00 175.10 175.85 2qbh n PHE 19 N -0.28 0.09 -1.62 5.22 3.72 0.22 0.89 117.46 125.70 2qbh n PHE 19 Ca -0.09 -3.61 -0.44 0.00 -0.05 0.00 0.00 57.45 53.26 2qbh n PHE 19 Cb 0.56 -0.30 -0.01 0.00 -0.94 0.00 0.00 39.48 38.79 2qbh n PHE 19 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 2qbh n ILE 20 N 1.54 2.00 -3.56 4.37 -0.00 0.53 -2.06 119.36 122.19 2qbh n ILE 20 Ca 0.23 -0.50 -0.13 0.00 -0.00 0.00 0.00 62.75 62.36 2qbh n ILE 20 Cb 0.51 -1.17 -0.05 0.00 -0.00 0.00 0.00 39.64 38.92 2qbh n ILE 20 CO 0.00 0.00 0.00 -0.75 -0.00 0.00 0.00 176.55 175.80 2qbh s LYS 21 N -1.65 0.75 0.00 0.38 2.20 0.54 -0.76 119.74 121.20 2qbh s LYS 21 Ca 0.58 0.15 -0.01 0.00 -0.36 0.00 0.00 55.97 56.33 2qbh s LYS 21 Cb -0.66 0.35 -0.03 0.00 -1.51 0.00 0.00 37.83 35.98 2qbh s LYS 21 CO 0.61 -0.24 1.12 -0.35 -0.36 0.00 0.00 175.35 176.13 2qbh n PRO 22 N 0.73 0.54 -0.90 4.03 -0.04 -1.26 0.20 135.00 138.30 2qbh n PRO 22 Ca -0.13 -0.12 -0.15 0.00 -0.04 0.00 0.00 63.50 63.06 2qbh n PRO 22 Cb 0.58 -1.41 0.01 0.00 -0.04 0.00 0.00 33.50 32.64 2qbh n PRO 22 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2qbh n GLY 23 N 2.07 3.82 5.00 0.55 0.00 -1.26 -4.67 105.19 110.71 2qbh n GLY 23 Ca 0.05 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.06 2qbh n GLY 23 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2qbh n ASN 24 N 0.70 0.00 0.00 1.61 6.94 -1.26 -3.16 115.26 120.09 2qbh n ASN 24 Ca 0.28 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.84 2qbh n ASN 24 Cb 0.58 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.00 2qbh n ASN 24 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2qbh n GLY 25 N 0.00 0.00 3.85 4.83 0.00 -0.58 0.11 105.19 113.41 2qbh n GLY 25 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 2qbh n GLY 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qbh s LYS 26 N 0.00 3.82 -0.29 1.61 1.02 -1.19 -4.43 119.74 120.28 2qbh s LYS 26 Ca 0.00 0.85 -0.03 0.00 0.02 0.00 0.00 55.97 56.81 2qbh s LYS 26 Cb 0.00 -2.13 0.10 0.00 -0.52 0.00 0.00 37.83 35.27 2qbh s LYS 26 CO 0.00 -0.35 0.11 0.42 -0.92 0.00 0.00 175.35 174.61 2qbh s ILE 27 N -2.79 0.34 -0.66 2.17 1.09 -1.26 -2.75 121.20 117.33 2qbh s ILE 27 Ca 0.57 -0.99 0.02 0.00 -1.10 0.00 0.00 60.65 59.14 2qbh s ILE 27 Cb -0.10 -1.25 0.16 0.00 -1.06 0.00 0.00 42.46 40.21 2qbh s ILE 27 CO 0.39 -0.67 0.46 -0.69 -0.10 0.00 0.00 174.94 174.33 2qbh s VAL 28 N 1.89 3.24 -0.28 2.92 1.01 -1.25 -1.72 120.40 126.21 2qbh s VAL 28 Ca 0.09 -3.63 -0.28 0.00 0.00 0.00 0.00 61.98 58.16 2qbh s VAL 28 Cb -0.17 -3.13 0.01 0.00 0.00 0.00 0.00 36.38 33.10 2qbh s VAL 28 CO -0.30 -0.93 0.99 -0.63 0.00 0.00 0.00 175.10 174.23 2qbh s ILE 29 N -0.78 4.64 -1.46 2.22 1.01 -0.89 -2.54 121.20 123.40 2qbh s ILE 29 Ca 0.21 1.72 -0.10 0.00 0.00 0.00 0.00 60.65 62.48 2qbh s ILE 29 Cb -0.15 -4.31 0.05 0.00 0.01 0.00 0.00 42.46 38.06 2qbh s ILE 29 CO -0.08 -0.31 0.78 0.59 0.00 0.00 0.00 174.94 175.92 2qbh n ASN 30 N 6.51 -5.10 -0.43 3.58 5.03 0.28 -0.84 115.26 124.30 2qbh n ASN 30 Ca 0.10 -0.51 -0.06 0.00 0.87 0.00 0.00 54.58 54.98 2qbh n ASN 30 Cb 0.47 -4.10 -0.02 0.00 -1.02 0.00 0.00 39.78 35.10 2qbh n ASN 30 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2qbh n GLN 31 N -4.30 -0.57 -4.26 3.52 6.02 -1.25 -5.01 117.38 111.52 2qbh n GLN 31 Ca -0.02 0.62 -0.29 0.00 -0.01 0.00 0.00 57.00 57.30 2qbh n GLN 31 Cb 0.56 -4.37 -0.05 0.00 1.02 0.00 0.00 30.24 27.41 2qbh n GLN 31 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2qbh n ARG 32 N -2.48 0.83 -3.35 -1.09 1.74 -0.02 -5.08 116.66 107.21 2qbh n ARG 32 Ca -0.06 -3.37 -0.30 0.00 -0.77 0.00 0.00 57.85 53.36 2qbh n ARG 32 Cb 0.23 0.76 -0.04 0.00 -1.02 0.00 0.00 32.46 32.39 2qbh n ARG 32 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2qbh s SER 33 N -3.69 6.51 0.11 0.55 0.15 -1.26 -2.09 113.70 113.97 2qbh s SER 33 Ca 0.08 0.80 -0.34 0.00 0.70 0.00 0.00 55.95 57.18 2qbh s SER 33 Cb -0.01 -2.18 -0.14 0.00 -1.71 0.00 0.00 66.02 61.99 2qbh s SER 33 CO 0.05 -0.16 1.55 0.25 1.20 0.00 0.00 173.24 176.14 2qbh h LEU 34 N 1.99 -1.68 -2.17 3.45 5.85 -1.71 0.55 115.31 121.59 2qbh h LEU 34 Ca -0.47 0.19 -0.07 0.00 0.84 0.00 0.00 57.88 58.37 2qbh h LEU 34 Cb 1.18 0.64 -0.04 0.00 0.37 0.00 0.00 40.66 42.81 2qbh h LEU 34 CO 0.67 -0.52 0.08 -0.62 -0.34 0.00 0.00 178.44 177.72 2qbh n GLU 35 N -5.46 1.24 -0.08 1.25 4.71 -1.26 -3.08 120.64 117.97 2qbh n GLU 35 Ca -0.07 -0.45 -0.16 0.00 -0.01 0.00 0.00 57.16 56.47 2qbh n GLU 35 Cb 0.39 -1.24 -0.05 0.00 -1.01 0.00 0.00 31.44 29.54 2qbh n GLU 35 CO 0.00 0.00 0.00 0.94 0.09 0.00 0.00 177.13 178.16 2qbh n GLN 36 N 0.23 0.32 0.11 3.49 -0.06 0.16 -3.14 117.38 118.50 2qbh n GLN 36 Ca 0.08 0.14 -0.19 0.00 -2.00 0.00 0.00 57.00 55.04 2qbh n GLN 36 Cb 0.63 -1.04 -0.13 0.00 -4.06 0.00 0.00 30.24 25.64 2qbh n GLN 36 CO 0.00 0.00 0.00 -0.92 -0.20 0.00 0.00 177.06 175.94 2qbh h TYR 37 N -0.55 0.70 0.00 3.69 3.20 -1.54 -3.34 116.97 119.13 2qbh h TYR 37 Ca -0.38 -0.48 -0.02 0.00 3.14 0.00 0.00 58.73 61.00 2qbh h TYR 37 Cb 1.31 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 39.51 2qbh h TYR 37 CO -0.06 1.36 -0.31 1.19 -1.64 0.00 0.00 178.16 178.71 2qbh n PHE 38 N -3.64 0.00 -1.72 -3.82 0.99 -1.18 -5.07 117.46 103.02 2qbh n PHE 38 Ca -0.11 -0.91 -0.43 0.00 -0.00 0.00 0.00 57.45 56.00 2qbh n PHE 38 Cb 1.01 -0.16 -0.01 0.00 -1.00 0.00 0.00 39.48 39.32 2qbh n PHE 38 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2qbh n GLY 39 N -0.94 0.97 3.80 1.37 0.00 -1.19 -2.73 105.19 106.46 2qbh n GLY 39 Ca 0.13 0.41 -0.26 0.00 0.00 0.00 0.00 46.02 46.31 2qbh n GLY 39 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2qbh n ARG 40 N 1.47 -5.42 -3.80 1.61 0.63 -1.26 -4.92 116.66 104.97 2qbh n ARG 40 Ca 0.07 0.62 -0.13 0.00 -0.92 0.00 0.00 57.85 57.50 2qbh n ARG 40 Cb 0.35 -5.38 -0.12 0.00 0.45 0.00 0.00 32.46 27.77 2qbh n ARG 40 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 2qbh s GLU 41 N -6.30 0.29 0.00 -0.14 2.02 -1.11 -5.01 118.70 108.45 2qbh s GLU 41 Ca 0.36 0.27 0.00 0.00 0.02 0.00 0.00 54.97 55.61 2qbh s GLU 41 Cb -0.18 0.14 0.00 0.00 0.10 0.00 0.00 34.13 34.19 2qbh s GLU 41 CO 0.82 -0.04 0.40 -2.37 0.02 0.00 0.00 175.26 174.09 2qbh n THR 42 N 2.84 0.11 -0.04 3.63 5.66 -1.26 -2.27 114.28 122.95 2qbh n THR 42 Ca -0.13 0.04 -0.10 0.00 -3.05 0.00 0.00 64.05 60.80 2qbh n THR 42 Cb 0.58 -1.04 -0.09 0.00 -1.55 0.00 0.00 70.33 68.24 2qbh n THR 42 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2qbh h ALA 43 N 1.46 -0.04 0.00 1.79 0.00 -1.95 -3.32 119.26 117.19 2qbh h ALA 43 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2qbh h ALA 43 Cb 0.02 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2qbh h ALA 43 CO 0.00 -0.08 0.03 2.89 0.00 0.00 0.00 179.25 182.09 2qbh n ARG 44 N -4.73 0.00 -0.03 0.00 1.85 -0.96 -1.87 116.66 110.92 2qbh n ARG 44 Ca -0.07 0.40 -0.19 0.00 -1.00 0.00 0.00 57.85 56.98 2qbh n ARG 44 Cb 0.31 -1.53 -0.13 0.00 -1.05 0.00 0.00 32.46 30.06 2qbh n ARG 44 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2qbh h MET 45 N 0.00 0.15 -0.99 2.89 -0.00 -1.74 -3.34 114.93 111.90 2qbh h MET 45 Ca 0.00 -0.25 0.14 0.00 -0.00 0.00 0.00 59.70 59.60 2qbh h MET 45 Cb 0.06 0.09 -0.09 0.00 -0.00 0.00 0.00 31.60 31.66 2qbh h MET 45 CO 0.00 1.12 0.61 -0.39 -0.00 0.00 0.00 176.91 178.24 2qbh h VAL 46 N -0.63 0.84 0.00 -0.10 -1.51 -1.50 0.42 116.25 113.76 2qbh h VAL 46 Ca -0.20 -0.30 -0.00 0.00 -1.23 0.00 0.00 66.70 64.96 2qbh h VAL 46 Cb 1.45 -0.13 -0.00 0.00 -2.13 0.00 0.00 31.29 30.48 2qbh h VAL 46 CO 0.01 0.16 -0.00 -0.37 -1.23 0.00 0.00 177.57 176.14 2qbh h VAL 47 N 0.89 0.44 0.00 7.19 -1.51 -1.69 0.13 116.25 121.70 2qbh h VAL 47 Ca 0.52 -0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.99 2qbh h VAL 47 Cb 0.63 1.00 0.00 0.00 -2.13 0.00 0.00 31.29 30.79 2qbh h VAL 47 CO -0.31 0.00 -0.66 0.54 -1.23 0.00 0.00 177.57 175.91 2qbh n ARG 48 N -3.72 0.18 0.08 5.19 1.74 0.14 -4.32 116.66 115.96 2qbh n ARG 48 Ca -0.03 0.04 -0.12 0.00 -0.77 0.00 0.00 57.85 56.97 2qbh n ARG 48 Cb 0.08 -1.60 -0.05 0.00 -1.02 0.00 0.00 32.46 29.87 2qbh n ARG 48 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 2qbh h GLN 49 N 0.00 -0.38 0.00 5.56 4.20 -0.40 2.25 115.11 126.34 2qbh h GLN 49 Ca 0.00 0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.74 2qbh h GLN 49 Cb 0.65 0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.52 2qbh h GLN 49 CO 0.00 -0.26 0.00 -0.35 -0.67 0.00 0.00 178.83 177.55 2qbh n PRO 50 N -5.36 0.03 -0.12 1.46 -0.04 -1.26 -1.84 135.00 127.87 2qbh n PRO 50 Ca -0.06 0.35 -0.19 0.00 -0.04 0.00 0.00 63.50 63.56 2qbh n PRO 50 Cb 0.27 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.13 2qbh n PRO 50 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2qbh n LEU 51 N -1.42 2.59 0.00 1.53 4.77 0.24 -3.94 117.00 120.77 2qbh n LEU 51 Ca 0.02 0.01 0.02 0.00 -0.03 0.00 0.00 56.01 56.03 2qbh n LEU 51 Cb 0.05 -0.77 0.13 0.00 -2.33 0.00 0.00 43.42 40.50 2qbh n LEU 51 CO 0.04 0.77 0.48 -0.62 -1.33 0.00 0.00 177.39 176.73 2qbh n GLU 52 N -3.46 0.09 -0.08 3.23 -0.58 0.74 0.11 120.64 120.69 2qbh n GLU 52 Ca -0.43 0.19 -0.10 0.00 -0.42 0.00 0.00 57.16 56.41 2qbh n GLU 52 Cb 0.90 -1.50 -0.09 0.00 -0.57 0.00 0.00 31.44 30.18 2qbh n GLU 52 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 2qbh n LEU 53 N -1.23 1.66 -0.24 -4.62 -0.00 -1.00 -4.61 117.00 106.96 2qbh n LEU 53 Ca 0.03 -0.05 0.08 0.00 -0.00 0.00 0.00 56.01 56.07 2qbh n LEU 53 Cb 0.04 -0.19 -0.04 0.00 -0.00 0.00 0.00 43.42 43.23 2qbh n LEU 53 CO 0.04 0.59 0.15 1.33 -0.00 0.00 0.00 177.39 179.50 2qbh n VAL 54 N -2.79 0.00 -0.54 1.96 0.24 -0.87 -5.09 118.33 111.24 2qbh n VAL 54 Ca -0.27 -0.24 0.00 0.00 -2.04 0.00 0.00 64.34 61.79 2qbh n VAL 54 Cb 0.88 1.13 0.00 0.00 -1.47 0.00 0.00 33.84 34.38 2qbh n VAL 54 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2qbh n ASP 55 N -0.59 -2.97 0.00 -1.34 8.00 0.30 -5.07 116.55 114.89 2qbh n ASP 55 Ca 0.06 0.19 0.00 0.00 0.71 0.00 0.00 54.79 55.74 2qbh n ASP 55 Cb 0.32 -0.91 0.00 0.00 -0.02 0.00 0.00 41.12 40.51 2qbh n ASP 55 CO 0.00 0.00 0.00 1.15 -0.39 0.00 0.00 177.20 177.96 2qbh n MET 56 N 0.03 0.00 0.00 -1.24 0.00 -1.25 -4.65 117.12 110.02 2qbh n MET 56 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 2qbh n MET 56 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 2qbh n MET 56 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 2qbh n VAL 57 N 0.00 0.00 -0.27 3.17 0.31 -0.89 -3.78 118.33 116.87 2qbh n VAL 57 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2qbh n VAL 57 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2qbh n VAL 57 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2qbh n GLU 58 N -0.57 0.79 -0.06 5.55 -0.58 0.41 -3.46 120.64 122.74 2qbh n GLU 58 Ca 0.00 -0.22 -0.09 0.00 -0.42 0.00 0.00 57.16 56.43 2qbh n GLU 58 Cb 0.00 -0.67 -0.05 0.00 -0.57 0.00 0.00 31.44 30.15 2qbh n GLU 58 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2qbh n LYS 59 N -0.18 0.27 -3.73 3.49 5.02 0.84 -4.85 118.16 119.02 2qbh n LYS 59 Ca 0.00 0.08 -0.01 0.00 -2.02 0.00 0.00 58.31 56.36 2qbh n LYS 59 Cb 0.07 -1.14 -0.00 0.00 -0.02 0.00 0.00 35.03 33.94 2qbh n LYS 59 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 2qbh s LEU 60 N -5.92 -0.09 0.39 -0.35 2.34 0.30 -4.08 118.68 111.27 2qbh s LEU 60 Ca -0.15 -0.32 0.04 0.00 0.06 0.00 0.00 54.13 53.76 2qbh s LEU 60 Cb 0.05 1.79 -0.03 0.00 -0.56 0.00 0.00 46.19 47.44 2qbh s LEU 60 CO 0.24 -0.64 0.15 1.51 -1.06 0.00 0.00 176.35 176.55 2qbh s ASP 61 N -3.07 2.53 0.27 1.48 -4.77 0.54 -1.52 116.67 112.13 2qbh s ASP 61 Ca 0.15 -1.67 -0.11 0.00 -3.30 0.00 0.00 52.55 47.63 2qbh s ASP 61 Cb 0.01 0.49 -0.00 0.00 -1.09 0.00 0.00 42.92 42.33 2qbh s ASP 61 CO 0.00 -0.94 0.48 -1.48 0.70 0.00 0.00 175.17 173.93 2qbh s LEU 62 N -3.55 0.46 -0.24 2.11 -0.00 -1.11 0.20 118.68 116.55 2qbh s LEU 62 Ca 0.27 -1.06 0.00 0.00 -0.00 0.00 0.00 54.13 53.35 2qbh s LEU 62 Cb 0.03 1.70 0.03 0.00 -0.00 0.00 0.00 46.19 47.95 2qbh s LEU 62 CO 0.16 -1.18 -0.11 -0.47 -0.00 0.00 0.00 176.35 174.76 2qbh s TYR 63 N -3.77 3.05 -0.12 3.48 5.04 -0.87 -3.89 117.35 120.26 2qbh s TYR 63 Ca 0.24 -1.79 -0.09 0.00 -2.44 0.00 0.00 57.07 52.99 2qbh s TYR 63 Cb -0.00 -1.99 -0.04 0.00 0.35 0.00 0.00 41.96 40.27 2qbh s TYR 63 CO 0.11 -0.79 0.18 0.42 -1.34 0.00 0.00 175.55 174.14 2qbh s ILE 64 N 1.25 5.41 -0.30 3.14 1.09 -1.05 -0.61 121.20 130.13 2qbh s ILE 64 Ca -0.01 0.31 0.01 0.00 -1.10 0.00 0.00 60.65 59.86 2qbh s ILE 64 Cb -0.17 -3.47 0.15 0.00 -1.06 0.00 0.00 42.46 37.91 2qbh s ILE 64 CO -0.07 0.57 0.35 -0.89 -0.10 0.00 0.00 174.94 174.80 2qbh s THR 65 N -0.68 -0.48 0.10 2.92 2.01 0.30 0.10 115.64 119.91 2qbh s THR 65 Ca 0.15 -0.47 0.09 0.00 0.31 0.00 0.00 61.69 61.77 2qbh s THR 65 Cb -0.13 -0.94 -0.03 0.00 0.01 0.00 0.00 72.50 71.41 2qbh s THR 65 CO 0.04 -0.41 -0.23 0.54 -0.69 0.00 0.00 174.62 173.86 2qbh s VAL 66 N 2.31 1.93 0.07 3.82 0.11 -1.26 -0.56 120.40 126.82 2qbh s VAL 66 Ca 0.10 -1.56 -0.07 0.00 -2.93 0.00 0.00 61.98 57.53 2qbh s VAL 66 Cb -0.13 -1.72 -0.01 0.00 -1.53 0.00 0.00 36.38 32.99 2qbh s VAL 66 CO -0.29 0.06 0.13 -0.54 -3.33 0.00 0.00 175.10 171.13 2qbh s LYS 67 N -1.81 0.73 0.10 1.54 3.01 -0.25 -4.95 119.74 118.10 2qbh s LYS 67 Ca 0.10 -0.94 0.00 0.00 -1.01 0.00 0.00 55.97 54.12 2qbh s LYS 67 Cb -0.10 0.29 0.00 0.00 -1.01 0.00 0.00 37.83 37.01 2qbh s LYS 67 CO 0.04 -0.20 0.00 0.41 0.51 0.00 0.00 175.35 176.11 2qbh n GLY 68 N 0.21 -3.10 1.10 -3.33 0.00 -1.26 -1.74 105.19 97.07 2qbh n GLY 68 Ca -0.16 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.68 2qbh n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qbh n GLY 69 N -1.46 0.92 0.00 -0.02 0.00 0.64 -4.05 105.19 101.22 2qbh n GLY 69 Ca 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.67 2qbh n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qbh n GLY 70 N 0.00 2.52 0.00 -0.02 0.00 -1.26 -4.93 105.19 101.50 2qbh n GLY 70 Ca 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.12 2qbh n GLY 70 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2qbh n ILE 71 N 0.00 0.00 -0.20 -0.61 -0.00 -1.26 0.21 119.36 117.51 2qbh n ILE 71 Ca 0.00 1.44 -0.01 0.00 -0.00 0.00 0.00 62.75 64.18 2qbh n ILE 71 Cb 0.00 -2.21 0.10 0.00 -0.00 0.00 0.00 39.64 37.53 2qbh n ILE 71 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.55 177.32 2qbh h SER 72 N 0.00 0.23 0.36 4.38 4.64 -1.98 0.05 113.55 121.23 2qbh h SER 72 Ca 0.00 0.07 -0.01 0.00 -0.47 0.00 0.00 61.79 61.38 2qbh h SER 72 Cb 0.00 0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.11 2qbh h SER 72 CO 0.00 0.14 -0.43 1.23 -0.87 0.00 0.00 176.83 176.90 2qbh h GLY 73 N 0.41 -1.18 -0.38 -0.77 0.00 -1.84 0.36 103.07 99.67 2qbh h GLY 73 Ca 0.29 0.56 0.06 0.00 0.00 0.00 0.00 47.33 48.24 2qbh h GLY 73 CO -0.29 -0.35 -0.52 1.46 0.00 0.00 0.00 176.54 176.85 2qbh h GLN 74 N -0.80 -0.37 -0.12 4.80 7.50 0.30 0.36 115.11 126.76 2qbh h GLN 74 Ca -0.04 0.03 0.04 0.00 0.50 0.00 0.00 58.65 59.17 2qbh h GLN 74 Cb 0.72 0.08 -0.07 0.00 0.05 0.00 0.00 27.48 28.26 2qbh h GLN 74 CO -0.09 -0.25 -0.49 0.00 -1.50 0.00 0.00 178.83 176.50 2qbh h ALA 75 N 0.09 -0.76 -0.33 3.87 0.00 -0.75 -1.09 119.26 120.28 2qbh h ALA 75 Ca 0.09 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.02 2qbh h ALA 75 Cb 0.60 0.91 -0.05 0.00 0.00 0.00 0.00 17.79 19.25 2qbh h ALA 75 CO -0.59 -1.02 0.05 0.78 0.00 0.00 0.00 179.25 178.47 2qbh h GLY 76 N -0.55 0.37 0.05 0.00 0.00 0.30 -2.49 103.07 100.75 2qbh h GLY 76 Ca 0.05 -0.01 0.08 0.00 0.00 0.00 0.00 47.33 47.45 2qbh h GLY 76 CO -0.42 -0.03 -0.21 0.00 0.00 0.00 0.00 176.54 175.88 2qbh h ALA 77 N 1.26 0.04 -0.34 3.60 0.00 0.22 -1.67 119.26 122.37 2qbh h ALA 77 Ca 0.16 0.13 0.07 0.00 0.00 0.00 0.00 54.91 55.27 2qbh h ALA 77 Cb 0.19 0.48 -0.07 0.00 0.00 0.00 0.00 17.79 18.39 2qbh h ALA 77 CO -0.22 -0.59 -0.12 0.82 0.00 0.00 0.00 179.25 179.14 2qbh h ILE 78 N -0.15 0.58 -0.98 0.00 2.04 -0.84 -0.04 117.51 118.12 2qbh h ILE 78 Ca 0.18 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.23 2qbh h ILE 78 Cb 0.43 0.58 -0.09 0.00 -0.74 0.00 0.00 36.82 37.00 2qbh h ILE 78 CO -0.46 0.00 0.61 -0.09 0.00 0.00 0.00 178.15 178.22 2qbh h ARG 79 N -0.06 0.65 0.29 2.37 2.43 -0.90 0.35 114.38 119.51 2qbh h ARG 79 Ca 0.17 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.29 2qbh h ARG 79 Cb 0.31 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 2qbh h ARG 79 CO -0.38 0.43 -0.14 1.25 -1.51 0.00 0.00 179.97 179.62 2qbh h HIS 80 N 0.66 -0.36 -0.25 2.20 2.76 -0.39 -2.31 115.15 117.47 2qbh h HIS 80 Ca 0.54 -0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.71 2qbh h HIS 80 Cb 0.98 0.12 -0.02 0.00 1.55 0.00 0.00 27.41 30.04 2qbh h HIS 80 CO -0.00 -0.07 0.15 0.78 -1.30 0.00 0.00 177.93 177.49 2qbh h GLY 81 N -0.63 0.34 -0.22 5.26 0.00 -0.32 -0.13 103.07 107.38 2qbh h GLY 81 Ca -0.04 -0.11 0.03 0.00 0.00 0.00 0.00 47.33 47.21 2qbh h GLY 81 CO 0.06 0.11 -0.40 -2.22 0.00 0.00 0.00 176.54 174.09 2qbh h ILE 82 N 0.31 0.00 -0.68 2.60 2.04 -0.33 0.53 117.51 121.98 2qbh h ILE 82 Ca 0.09 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.00 2qbh h ILE 82 Cb -0.01 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.03 2qbh h ILE 82 CO -0.04 0.00 0.45 0.00 0.00 0.00 0.00 178.15 178.56 2qbh h THR 83 N -0.34 1.06 -0.30 -0.27 1.03 -1.32 -1.64 112.91 111.13 2qbh h THR 83 Ca 0.04 -0.26 -0.00 0.00 -0.01 0.00 0.00 66.41 66.17 2qbh h THR 83 Cb 0.45 0.23 -0.01 0.00 -1.07 0.00 0.00 68.15 67.75 2qbh h THR 83 CO -0.38 0.14 0.17 0.03 -0.01 0.00 0.00 175.52 175.46 2qbh h ARG 84 N 0.76 0.42 -0.65 0.00 2.47 0.87 -2.77 114.38 115.49 2qbh h ARG 84 Ca 0.28 -0.05 -0.05 0.00 -1.26 0.00 0.00 59.98 58.91 2qbh h ARG 84 Cb 0.15 -0.08 -0.03 0.00 -1.65 0.00 0.00 29.97 28.36 2qbh h ARG 84 CO -0.08 0.35 0.22 0.00 0.56 0.00 0.00 179.97 181.01 2qbh h ALA 85 N 1.05 1.17 -0.04 0.04 0.00 0.76 -2.16 119.26 120.07 2qbh h ALA 85 Ca 0.11 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.84 2qbh h ALA 85 Cb 0.05 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 2qbh h ALA 85 CO -0.02 0.59 0.56 -0.07 0.00 0.00 0.00 179.25 180.31 2qbh h LEU 86 N 0.94 0.00 -0.46 0.00 4.07 -1.02 0.48 115.31 119.32 2qbh h LEU 86 Ca 0.21 0.00 -0.17 0.00 0.08 0.00 0.00 57.88 58.01 2qbh h LEU 86 Cb 0.24 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.98 2qbh h LEU 86 CO -0.01 0.00 -0.54 -0.03 -1.08 0.00 0.00 178.44 176.78 2qbh h MET 87 N 0.00 0.66 0.00 1.13 1.85 -1.45 0.29 114.93 117.42 2qbh h MET 87 Ca 0.02 -0.41 -0.04 0.00 -0.61 0.00 0.00 59.70 58.66 2qbh h MET 87 Cb 1.14 0.04 -0.01 0.00 0.43 0.00 0.00 31.60 33.21 2qbh h MET 87 CO -0.00 1.03 -0.18 0.93 -0.40 0.00 0.00 176.91 178.29 2qbh h GLU 88 N 0.51 0.00 0.07 0.39 5.08 -0.20 -2.76 114.58 117.68 2qbh h GLU 88 Ca 0.01 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.03 2qbh h GLU 88 Cb 1.10 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.31 2qbh h GLU 88 CO 0.11 0.18 -1.96 0.98 -1.00 0.00 0.00 179.01 177.32 2qbh n TYR 89 N -3.77 1.04 -3.21 4.33 9.36 -1.09 -4.89 117.16 118.93 2qbh n TYR 89 Ca -0.02 0.27 -0.00 0.00 3.32 0.00 0.00 57.90 61.47 2qbh n TYR 89 Cb 0.29 -1.15 -0.03 0.00 -0.63 0.00 0.00 39.34 37.82 2qbh n TYR 89 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 2qbh s ASP 90 N -6.64 -0.89 0.00 2.98 3.68 0.10 -5.02 116.67 110.88 2qbh s ASP 90 Ca -0.17 0.46 0.28 0.00 2.13 0.00 0.00 52.55 55.25 2qbh s ASP 90 Cb 0.07 1.80 1.32 0.00 -1.45 0.00 0.00 42.92 44.65 2qbh s ASP 90 CO 0.78 -0.29 1.94 -0.62 0.13 0.00 0.00 175.17 177.11 2qbh n GLU 91 N 5.41 0.21 0.00 4.34 -0.58 -1.09 -3.47 120.64 125.45 2qbh n GLU 91 Ca -0.00 0.02 0.12 0.00 -0.42 0.00 0.00 57.16 56.87 2qbh n GLU 91 Cb 0.51 -1.50 0.15 0.00 -0.57 0.00 0.00 31.44 30.04 2qbh n GLU 91 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2qbh n SER 92 N -1.39 0.93 0.05 1.62 7.64 -1.26 -4.12 113.62 117.09 2qbh n SER 92 Ca 0.10 -0.74 0.12 0.00 1.01 0.00 0.00 58.87 59.36 2qbh n SER 92 Cb 0.28 0.44 0.07 0.00 -1.01 0.00 0.00 64.21 63.99 2qbh n SER 92 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qbh n LEU 93 N -1.13 0.66 0.28 -3.43 -0.00 -1.23 -3.99 117.00 108.17 2qbh n LEU 93 Ca 0.07 0.13 0.17 0.00 -0.00 0.00 0.00 56.01 56.38 2qbh n LEU 93 Cb 0.35 -0.12 0.95 0.00 -0.00 0.00 0.00 43.42 44.60 2qbh n LEU 93 CO 0.34 -0.03 1.14 0.03 -0.00 0.00 0.00 177.39 178.87 2qbh h ARG 94 N 0.00 0.00 -0.86 1.47 2.47 -1.75 -2.32 114.38 113.39 2qbh h ARG 94 Ca 0.00 0.00 0.16 0.00 -1.26 0.00 0.00 59.98 58.88 2qbh h ARG 94 Cb 0.79 0.00 -0.10 0.00 -1.65 0.00 0.00 29.97 29.01 2qbh h ARG 94 CO 0.00 0.00 0.43 1.03 0.56 0.00 0.00 179.97 181.99 2qbh h SER 95 N 0.00 0.50 0.98 7.04 0.87 -1.85 0.07 113.55 121.16 2qbh h SER 95 Ca 0.02 0.10 -0.16 0.00 -1.23 0.00 0.00 61.79 60.52 2qbh h SER 95 Cb 0.15 0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.11 2qbh h SER 95 CO -0.00 0.19 -1.09 -0.33 -0.53 0.00 0.00 176.83 175.07 2qbh h GLU 96 N 0.59 0.00 -0.08 2.24 4.39 -1.72 -3.07 114.58 116.92 2qbh h GLU 96 Ca 0.48 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.17 2qbh h GLU 96 Cb 0.72 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.37 2qbh h GLU 96 CO -0.39 0.45 0.01 -0.07 -1.16 0.00 0.00 179.01 177.85 2qbh h LEU 97 N 0.00 0.14 -0.23 1.33 3.38 -1.18 -1.86 115.31 116.89 2qbh h LEU 97 Ca -0.10 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.57 2qbh h LEU 97 Cb 1.57 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.27 2qbh h LEU 97 CO 0.06 0.39 0.08 -0.09 0.09 0.00 0.00 178.44 178.97 2qbh h ARG 98 N -0.11 0.35 -0.95 1.13 2.43 -1.16 -2.47 114.38 113.59 2qbh h ARG 98 Ca 0.02 -0.07 0.15 0.00 -0.81 0.00 0.00 59.98 59.28 2qbh h ARG 98 Cb 0.31 -0.05 -0.08 0.00 -0.42 0.00 0.00 29.97 29.72 2qbh h ARG 98 CO 0.00 0.42 0.60 -0.22 -1.51 0.00 0.00 179.97 179.27 2qbh h LYS 99 N 0.21 0.74 -0.63 0.20 3.64 -1.50 0.18 116.57 119.42 2qbh h LYS 99 Ca 0.08 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2qbh h LYS 99 Cb 0.21 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 2qbh h LYS 99 CO -0.00 0.49 0.00 0.00 -2.27 0.00 0.00 179.45 177.67 2qbh n ALA 100 N -2.40 2.93 -2.48 5.00 0.00 -0.70 -4.96 120.51 117.91 2qbh n ALA 100 Ca 0.19 -0.91 -0.02 0.00 0.00 0.00 0.00 53.44 52.71 2qbh n ALA 100 Cb 0.48 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.91 2qbh n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qbh n GLY 101 N 0.66 -3.19 2.12 0.00 0.00 0.62 -5.02 105.19 100.37 2qbh n GLY 101 Ca 0.14 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.66 2qbh n GLY 101 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2qbh n PHE 102 N 0.29 -3.62 -0.34 1.61 3.01 -0.96 -4.93 117.46 112.53 2qbh n PHE 102 Ca 0.03 1.04 0.22 0.00 1.01 0.00 0.00 57.45 59.74 2qbh n PHE 102 Cb 0.10 2.40 0.45 0.00 -0.01 0.00 0.00 39.48 42.42 2qbh n PHE 102 CO 0.00 0.00 0.00 -0.39 1.01 0.00 0.00 176.76 177.38 2qbh h VAL 103 N 0.00 0.44 -4.05 -4.37 -1.51 -1.86 -3.42 116.25 101.49 2qbh h VAL 103 Ca 0.00 -0.15 -0.55 0.00 -1.23 0.00 0.00 66.70 64.77 2qbh h VAL 103 Cb 0.00 -0.04 0.13 0.00 -2.13 0.00 0.00 31.29 29.25 2qbh h VAL 103 CO 0.00 0.08 0.59 0.42 -1.23 0.00 0.00 177.57 177.43 2qbh s THR 104 N -5.66 2.18 -0.26 7.19 -4.23 -1.26 -5.00 115.64 108.60 2qbh s THR 104 Ca -0.10 0.13 -0.06 0.00 -1.18 0.00 0.00 61.69 60.48 2qbh s THR 104 Cb 0.28 -3.07 -0.01 0.00 1.34 0.00 0.00 72.50 71.04 2qbh s THR 104 CO 0.80 -0.00 0.05 -0.60 -0.54 0.00 0.00 174.62 174.32 2qbh s ARG 105 N -2.91 3.37 -0.53 3.99 3.00 -1.26 -5.03 118.95 119.58 2qbh s ARG 105 Ca 0.71 -0.66 -0.26 0.00 -1.00 0.00 0.00 55.73 54.52 2qbh s ARG 105 Cb -0.39 -3.28 -0.08 0.00 0.00 0.00 0.00 34.95 31.20 2qbh s ARG 105 CO 0.46 -0.29 2.43 -3.47 0.00 0.00 0.00 175.30 174.43 2qbh n ASP 106 N 4.87 2.18 0.30 -2.12 4.64 -1.26 -4.77 116.55 120.40 2qbh n ASP 106 Ca -0.16 -0.55 0.19 0.00 -1.38 0.00 0.00 54.79 52.90 2qbh n ASP 106 Cb 0.50 -1.56 0.91 0.00 -1.04 0.00 0.00 41.12 39.93 2qbh n ASP 106 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2qbh h ALA 107 N 18.88 1.01 -1.39 -1.67 0.00 -1.95 -3.41 119.26 130.73 2qbh h ALA 107 Ca -0.22 -0.01 -0.67 0.00 0.00 0.00 0.00 54.91 54.02 2qbh h ALA 107 Cb 1.25 -0.00 0.09 0.00 0.00 0.00 0.00 17.79 19.14 2qbh h ALA 107 CO 1.16 0.01 -0.10 0.54 0.00 0.00 0.00 179.25 180.86 2qbh n ARG 108 N -3.11 0.57 -3.64 0.00 1.74 -1.26 -4.93 116.66 106.02 2qbh n ARG 108 Ca -0.01 0.20 -0.11 0.00 -0.77 0.00 0.00 57.85 57.16 2qbh n ARG 108 Cb 0.21 -1.48 -0.05 0.00 -1.02 0.00 0.00 32.46 30.12 2qbh n ARG 108 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 2qbh s GLN 109 N -0.78 1.04 0.40 5.56 -0.44 -1.26 -4.14 119.66 120.03 2qbh s GLN 109 Ca 0.70 -0.66 -0.25 0.00 -2.50 0.00 0.00 55.36 52.64 2qbh s GLN 109 Cb -0.92 0.46 -0.11 0.00 -1.64 0.00 0.00 33.01 30.80 2qbh s GLN 109 CO 0.56 -0.40 1.04 0.28 0.50 0.00 0.00 175.29 177.27 2qbh n VAL 110 N -0.12 2.36 -3.25 1.34 0.31 -1.26 -4.94 118.33 112.76 2qbh n VAL 110 Ca -0.16 -0.50 -0.39 0.00 -0.01 0.00 0.00 64.34 63.27 2qbh n VAL 110 Cb 0.63 -1.19 -0.07 0.00 -0.91 0.00 0.00 33.84 32.30 2qbh n VAL 110 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2qbh s GLU 111 N -1.96 4.14 0.34 5.55 2.56 -1.26 -5.04 118.70 123.03 2qbh s GLU 111 Ca 0.62 0.36 -0.29 0.00 0.00 0.00 0.00 54.97 55.66 2qbh s GLU 111 Cb -0.57 -3.60 -0.11 0.00 2.00 0.00 0.00 34.13 31.85 2qbh s GLU 111 CO 0.58 -0.22 1.47 -0.98 -0.56 0.00 0.00 175.26 175.55 2qbh s ARG 112 N 1.88 4.17 -0.33 4.30 1.70 -1.26 -4.80 118.95 124.60 2qbh s ARG 112 Ca 0.22 2.49 -0.29 0.00 -0.47 0.00 0.00 55.73 57.68 2qbh s ARG 112 Cb -0.15 -3.01 0.01 0.00 -0.57 0.00 0.00 34.95 31.23 2qbh s ARG 112 CO 0.09 -0.49 1.20 0.21 -1.08 0.00 0.00 175.30 175.24 2qbh s LYS 113 N -1.55 3.94 0.46 3.89 2.20 -1.26 -4.45 119.74 122.97 2qbh s LYS 113 Ca 0.55 1.09 -0.19 0.00 -0.36 0.00 0.00 55.97 57.05 2qbh s LYS 113 Cb -0.45 -3.83 -0.10 0.00 -1.51 0.00 0.00 37.83 31.94 2qbh s LYS 113 CO 0.56 -1.08 0.96 0.15 -0.36 0.00 0.00 175.35 175.58 2qbh s LYS 114 N 4.03 4.12 0.61 4.03 3.01 -1.26 -4.80 119.74 129.48 2qbh s LYS 114 Ca 0.51 1.07 -0.18 0.00 -1.01 0.00 0.00 55.97 56.36 2qbh s LYS 114 Cb -0.14 -2.16 -0.03 0.00 -1.01 0.00 0.00 37.83 34.49 2qbh s LYS 114 CO 0.22 -0.13 1.22 0.54 0.51 0.00 0.00 175.35 177.71 2qbh s VAL 115 N -2.33 2.53 0.00 3.17 0.11 -1.26 -3.28 120.40 119.33 2qbh s VAL 115 Ca 0.61 0.32 0.00 0.00 -2.93 0.00 0.00 61.98 59.98 2qbh s VAL 115 Cb -0.10 -3.11 0.00 0.00 -1.53 0.00 0.00 36.38 31.65 2qbh s VAL 115 CO 0.20 -0.08 0.00 0.61 -3.33 0.00 0.00 175.10 172.50 2qbh n GLY 116 N 0.54 2.68 0.00 6.54 0.00 -1.26 -5.00 105.19 108.70 2qbh n GLY 116 Ca 0.14 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.53 2qbh n GLY 116 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qbh n LEU 117 N 0.00 0.00 0.00 0.99 4.77 -1.20 -4.79 117.00 116.77 2qbh n LEU 117 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2qbh n LEU 117 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2qbh n LEU 117 CO 0.00 -0.68 -0.06 -1.14 -1.33 0.00 0.00 177.39 174.18 2qbh n ARG 118 N -1.13 5.55 -2.70 3.23 0.63 0.28 -4.87 116.66 117.65 2qbh n ARG 118 Ca 0.00 0.00 -0.07 0.00 -0.92 0.00 0.00 57.85 56.86 2qbh n ARG 118 Cb 0.00 -0.51 0.10 0.00 0.45 0.00 0.00 32.46 32.50 2qbh n ARG 118 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 2qbh n LYS 119 N -0.95 1.03 0.00 -0.14 4.81 -1.19 -4.92 118.16 116.80 2qbh n LYS 119 Ca 0.00 -1.66 0.00 0.00 -0.87 0.00 0.00 58.31 55.78 2qbh n LYS 119 Cb 0.00 -0.12 0.00 0.00 0.02 0.00 0.00 35.03 34.93 2qbh n LYS 119 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2qbh n ALA 120 N -0.50 0.00 0.00 3.14 0.00 -1.26 -3.70 120.51 118.19 2qbh n ALA 120 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2qbh n ALA 120 Cb 0.81 -0.12 0.00 0.00 0.00 0.00 0.00 19.45 20.14 2qbh n ALA 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qbh n ARG 121 N -1.49 0.00 -1.99 0.00 5.12 -1.26 -4.63 116.66 112.41 2qbh n ARG 121 Ca 0.00 0.00 -0.43 0.00 -1.93 0.00 0.00 57.85 55.49 2qbh n ARG 121 Cb 0.00 -0.29 -0.03 0.00 -1.16 0.00 0.00 32.46 30.98 2qbh n ARG 121 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 2qbh s ARG 122 N -1.00 3.55 -0.19 5.56 3.52 -1.24 -4.88 118.95 124.27 2qbh s ARG 122 Ca 0.00 1.65 -0.08 0.00 -0.13 0.00 0.00 55.73 57.17 2qbh s ARG 122 Cb 0.00 -4.15 -0.04 0.00 -1.56 0.00 0.00 34.95 29.20 2qbh s ARG 122 CO 0.00 -1.60 0.07 1.03 -0.81 0.00 0.00 175.30 173.99 2qbh s ARG 123 N 5.26 3.98 -0.03 5.12 0.52 -1.26 0.99 118.95 133.52 2qbh s ARG 123 Ca 0.79 -0.34 -0.34 0.00 -0.52 0.00 0.00 55.73 55.32 2qbh s ARG 123 Cb -0.26 -3.24 -0.12 0.00 0.52 0.00 0.00 34.95 31.85 2qbh s ARG 123 CO 0.33 0.25 1.81 -0.35 0.02 0.00 0.00 175.30 177.36 2qbh n PRO 124 N 3.61 2.17 -1.60 3.54 -0.04 -1.26 -4.90 135.00 136.52 2qbh n PRO 124 Ca -0.16 0.79 -0.40 0.00 -0.04 0.00 0.00 63.50 63.69 2qbh n PRO 124 Cb 0.52 -2.62 0.02 0.00 -0.04 0.00 0.00 33.50 31.38 2qbh n PRO 124 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2qbh n GLN 125 N 5.89 1.16 -0.00 0.54 10.64 -1.26 -4.91 117.38 129.44 2qbh n GLN 125 Ca 0.21 0.43 0.05 0.00 -1.83 0.00 0.00 57.00 55.86 2qbh n GLN 125 Cb 0.29 -2.04 -0.08 0.00 -0.86 0.00 0.00 30.24 27.56 2qbh n GLN 125 CO 0.00 0.00 0.00 1.97 -1.83 0.00 0.00 177.06 177.20 2qbh n PHE 126 N -0.89 0.00 0.00 2.61 1.16 -1.26 -5.01 117.46 114.07 2qbh n PHE 126 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.69 2qbh n PHE 126 Cb 0.42 -0.16 0.00 0.00 -1.61 0.00 0.00 39.48 38.13 2qbh n PHE 126 CO 0.00 0.00 0.00 -1.13 -1.87 0.00 0.00 176.76 173.76 2qbh n SER 127 N -1.66 0.00 -4.69 5.98 3.41 -1.26 -4.69 113.62 110.71 2qbh n SER 127 Ca -0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.18 2qbh n SER 127 Cb 0.24 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.16 2qbh n SER 127 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2qbh n LYS 128 N 0.00 2.82 0.00 4.33 3.00 -1.26 -5.35 118.16 121.70 2qbh n LYS 128 Ca 0.00 1.02 0.03 0.00 -0.00 0.00 0.00 58.31 59.36 2qbh n LYS 128 Cb 0.00 -2.93 0.02 0.00 0.00 0.00 0.00 35.03 32.12 2qbh n LYS 128 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27