#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbc n LEU 3 N 0.00 0.00 0.00 6.15 4.77 -1.26 -4.02 117.00 122.64 2qbc n LEU 3 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2qbc n LEU 3 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2qbc n LEU 3 CO 0.00 -1.36 0.00 0.59 -1.33 0.00 0.00 177.39 175.29 2qbc n ASN 4 N -3.00 0.00 -0.16 -1.43 5.03 -1.26 -4.17 115.26 110.28 2qbc n ASN 4 Ca 0.00 0.00 0.12 0.00 0.87 0.00 0.00 54.58 55.57 2qbc n ASN 4 Cb 0.00 0.00 0.22 0.00 -1.02 0.00 0.00 39.78 38.98 2qbc n ASN 4 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 2qbc n THR 5 N 0.00 -0.20 -2.60 3.41 -2.24 -1.26 -4.25 114.28 107.14 2qbc n THR 5 Ca 0.00 1.03 -0.42 0.00 -2.27 0.00 0.00 64.05 62.38 2qbc n THR 5 Cb 0.00 -1.59 -0.03 0.00 -2.10 0.00 0.00 70.33 66.62 2qbc n THR 5 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 2qbc s LEU 6 N -8.63 4.25 0.32 3.22 2.34 -1.26 -5.04 118.68 113.88 2qbc s LEU 6 Ca -0.05 1.63 0.10 0.00 0.06 0.00 0.00 54.13 55.86 2qbc s LEU 6 Cb 0.16 -3.56 -0.06 0.00 -0.56 0.00 0.00 46.19 42.17 2qbc s LEU 6 CO 0.38 -0.51 -0.12 -0.44 -1.06 0.00 0.00 176.35 174.60 2qbc s SER 7 N 1.24 3.60 1.05 1.48 0.01 -1.26 -5.09 113.70 114.74 2qbc s SER 7 Ca 0.51 -1.15 -0.12 0.00 1.31 0.00 0.00 55.95 56.50 2qbc s SER 7 Cb -0.20 -0.32 0.22 0.00 0.21 0.00 0.00 66.02 65.93 2qbc s SER 7 CO 0.19 -0.14 1.08 -2.84 0.41 0.00 0.00 173.24 171.93 2qbc s PRO 8 N -3.59 -0.02 0.67 12.44 0.02 -1.26 -5.00 135.00 138.26 2qbc s PRO 8 Ca 0.31 1.08 -0.11 0.00 0.02 0.00 0.00 61.00 62.30 2qbc s PRO 8 Cb 0.00 -1.64 0.17 0.00 0.02 0.00 0.00 34.50 33.06 2qbc s PRO 8 CO 0.16 -3.19 0.42 0.00 -0.33 0.00 0.00 177.00 174.06 2qbc n ALA 9 N -4.57 -2.34 -3.23 -1.55 0.00 -1.26 -4.88 120.51 102.67 2qbc n ALA 9 Ca 0.06 -0.73 -0.46 0.00 0.00 0.00 0.00 53.44 52.32 2qbc n ALA 9 Cb 0.54 -0.06 -0.02 0.00 0.00 0.00 0.00 19.45 19.90 2qbc n ALA 9 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2qbc s GLU 10 N -4.00 3.63 0.00 0.00 2.56 -1.26 -3.98 118.70 115.64 2qbc s GLU 10 Ca 0.32 -2.33 0.00 0.00 0.00 0.00 0.00 54.97 52.96 2qbc s GLU 10 Cb -0.05 -4.55 0.00 0.00 2.00 0.00 0.00 34.13 31.53 2qbc s GLU 10 CO 0.26 -1.40 0.00 0.41 -0.56 0.00 0.00 175.26 173.97 2qbc n GLY 11 N 4.28 1.59 0.51 -1.50 0.00 -1.26 -4.99 105.19 103.82 2qbc n GLY 11 Ca 0.17 0.00 0.33 0.00 0.00 0.00 0.00 46.02 46.52 2qbc n GLY 11 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2qbc h SER 12 N 0.00 0.05 -3.85 1.61 0.02 -1.93 -3.32 113.55 106.13 2qbc h SER 12 Ca 0.00 0.01 -0.67 0.00 -0.84 0.00 0.00 61.79 60.29 2qbc h SER 12 Cb 0.00 0.00 -0.37 0.00 0.14 0.00 0.00 62.40 62.18 2qbc h SER 12 CO 0.00 0.01 -0.78 -0.54 -1.14 0.00 0.00 176.83 174.38 2qbc s LYS 13 N -5.01 2.22 -0.99 3.45 -0.14 -1.26 -5.02 119.74 112.99 2qbc s LYS 13 Ca -0.05 -1.37 -0.01 0.00 -1.36 0.00 0.00 55.97 53.17 2qbc s LYS 13 Cb 0.23 -2.95 0.32 0.00 -1.68 0.00 0.00 37.83 33.76 2qbc s LYS 13 CO 0.80 -0.60 1.88 1.63 -0.76 0.00 0.00 175.35 178.31 2qbc n LYS 14 N 4.45 4.85 0.00 1.68 4.76 -1.25 -5.01 118.16 127.63 2qbc n LYS 14 Ca -0.13 -4.40 0.00 0.00 -2.87 0.00 0.00 58.31 50.91 2qbc n LYS 14 Cb 0.42 -2.43 0.00 0.00 -1.84 0.00 0.00 35.03 31.18 2qbc n LYS 14 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2qbc n ALA 15 N -0.14 0.00 0.00 7.82 0.00 -1.26 -4.82 120.51 122.11 2qbc n ALA 15 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.93 2qbc n ALA 15 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.70 2qbc n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qbc n GLY 16 N 0.00 4.09 3.28 0.00 0.00 -1.26 -5.15 105.19 106.16 2qbc n GLY 16 Ca 0.00 -0.83 -0.29 0.00 0.00 0.00 0.00 46.02 44.90 2qbc n GLY 16 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2qbc n LYS 17 N -1.45 -3.79 0.18 1.61 2.85 -1.26 -5.00 118.16 111.30 2qbc n LYS 17 Ca 0.00 -1.11 0.00 0.00 -1.05 0.00 0.00 58.31 56.15 2qbc n LYS 17 Cb 0.00 -1.94 0.00 0.00 -0.65 0.00 0.00 35.03 32.44 2qbc n LYS 17 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2qbc n ARG 18 N -5.01 0.00 -1.21 -1.58 1.74 -1.26 -5.17 116.66 104.17 2qbc n ARG 18 Ca 0.08 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 2qbc n ARG 18 Cb 0.56 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.00 2qbc n ARG 18 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2qbc n LEU 19 N -3.42 -1.37 -3.92 0.55 4.32 -1.26 -4.82 117.00 107.08 2qbc n LEU 19 Ca 0.00 2.21 -0.25 0.00 -0.02 0.00 0.00 56.01 57.95 2qbc n LEU 19 Cb 0.00 -2.16 -0.01 0.00 -1.62 0.00 0.00 43.42 39.63 2qbc n LEU 19 CO 0.00 -0.51 -0.19 0.61 -1.22 0.00 0.00 177.39 176.08 2qbc n GLY 20 N -2.17 -0.25 0.26 -0.72 0.00 0.70 -4.87 105.19 98.13 2qbc n GLY 20 Ca 0.00 0.14 0.02 0.00 0.00 0.00 0.00 46.02 46.18 2qbc n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qbc n ARG 21 N -4.38 0.54 0.00 1.61 5.12 -1.26 -4.99 116.66 113.30 2qbc n ARG 21 Ca -0.29 -1.26 0.00 0.00 -1.93 0.00 0.00 57.85 54.37 2qbc n ARG 21 Cb 0.67 -0.75 0.00 0.00 -1.16 0.00 0.00 32.46 31.22 2qbc n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2qbc n GLY 22 N -0.34 3.25 0.36 -0.13 0.00 -1.26 -4.71 105.19 102.35 2qbc n GLY 22 Ca 0.03 -1.85 0.06 0.00 0.00 0.00 0.00 46.02 44.26 2qbc n GLY 22 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2qbc h ILE 23 N 0.00 1.02 -0.36 -0.61 2.04 -1.95 -2.81 117.51 114.85 2qbc h ILE 23 Ca 0.00 -0.28 0.06 0.00 1.00 0.00 0.00 64.86 65.63 2qbc h ILE 23 Cb 0.00 0.12 -0.05 0.00 -0.74 0.00 0.00 36.82 36.15 2qbc h ILE 23 CO 0.00 0.15 0.06 1.23 0.00 0.00 0.00 178.15 179.59 2qbc h GLY 24 N 0.83 0.41 1.35 5.37 0.00 -1.98 -1.23 103.07 107.82 2qbc h GLY 24 Ca 0.34 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.66 2qbc h GLY 24 CO -0.12 -0.03 0.08 -1.14 0.00 0.00 0.00 176.54 175.32 2qbc n SER 25 N -5.11 0.00 0.00 0.19 3.41 -1.06 -4.72 113.62 106.34 2qbc n SER 25 Ca 0.02 0.28 0.00 0.00 -0.26 0.00 0.00 58.87 58.91 2qbc n SER 25 Cb 0.16 -0.28 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 2qbc n SER 25 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qbc n GLY 26 N -1.25 0.42 2.42 5.00 0.00 -0.46 -4.83 105.19 106.49 2qbc n GLY 26 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 2qbc n GLY 26 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qbc n LEU 27 N 0.00 1.33 0.00 0.99 4.77 -1.26 -4.87 117.00 117.96 2qbc n LEU 27 Ca 0.00 -4.49 0.00 0.00 -0.03 0.00 0.00 56.01 51.49 2qbc n LEU 27 Cb 0.11 0.52 0.00 0.00 -2.33 0.00 0.00 43.42 41.72 2qbc n LEU 27 CO 0.00 1.98 0.00 0.61 -1.33 0.00 0.00 177.39 178.65 2qbc n GLY 28 N 0.10 -1.84 3.23 -0.72 0.00 -1.21 -0.22 105.19 104.52 2qbc n GLY 28 Ca 0.19 -0.62 -0.33 0.00 0.00 0.00 0.00 46.02 45.26 2qbc n GLY 28 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2qbc n LYS 29 N 0.00 -1.36 0.00 1.61 2.85 -1.26 -2.38 118.16 117.62 2qbc n LYS 29 Ca 0.00 -0.38 0.00 0.00 -1.05 0.00 0.00 58.31 56.88 2qbc n LYS 29 Cb 0.00 -1.58 0.00 0.00 -0.65 0.00 0.00 35.03 32.80 2qbc n LYS 29 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 2qbc n THR 30 N -4.29 0.00 -1.33 0.58 -2.24 -1.26 -4.27 114.28 101.47 2qbc n THR 30 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2qbc n THR 30 Cb 0.65 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 2qbc n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qbc n GLY 31 N 0.00 0.78 4.10 3.38 0.00 -1.00 -4.32 105.19 108.13 2qbc n GLY 31 Ca 0.00 -0.39 -0.31 0.00 0.00 0.00 0.00 46.02 45.32 2qbc n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qbc n GLY 32 N -1.09 -0.33 0.37 -0.02 0.00 -1.26 -4.84 105.19 98.01 2qbc n GLY 32 Ca 0.00 0.14 0.01 0.00 0.00 0.00 0.00 46.02 46.17 2qbc n GLY 32 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2qbc n ARG 33 N -4.42 0.13 -0.52 1.61 1.85 -1.26 -5.15 116.66 108.90 2qbc n ARG 33 Ca -0.12 -1.00 0.07 0.00 -1.00 0.00 0.00 57.85 55.80 2qbc n ARG 33 Cb 0.59 -0.57 -0.02 0.00 -1.05 0.00 0.00 32.46 31.41 2qbc n ARG 33 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2qbc n GLY 34 N -0.09 -2.09 3.56 2.89 0.00 -1.26 -4.60 105.19 103.60 2qbc n GLY 34 Ca 0.01 -1.38 -0.37 0.00 0.00 0.00 0.00 46.02 44.28 2qbc n GLY 34 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2qbc s HIS 35 N -1.36 3.19 0.18 1.61 3.76 -1.26 -4.91 115.29 116.49 2qbc s HIS 35 Ca 0.00 -0.00 0.00 0.00 -0.15 0.00 0.00 55.06 54.91 2qbc s HIS 35 Cb 0.00 -2.33 0.00 0.00 1.11 0.00 0.00 32.58 31.36 2qbc s HIS 35 CO 0.00 -0.19 0.00 1.63 -0.85 0.00 0.00 174.74 175.33 2qbc n LYS 36 N 4.94 -1.53 0.00 1.40 5.02 -1.26 -5.05 118.16 121.68 2qbc n LYS 36 Ca -0.15 1.01 0.00 0.00 -2.02 0.00 0.00 58.31 57.15 2qbc n LYS 36 Cb 0.52 -1.87 0.00 0.00 -0.02 0.00 0.00 35.03 33.66 2qbc n LYS 36 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qbc n GLY 37 N -2.31 2.25 0.24 0.72 0.00 -1.26 -4.51 105.19 100.31 2qbc n GLY 37 Ca 0.01 -1.85 0.02 0.00 0.00 0.00 0.00 46.02 44.20 2qbc n GLY 37 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2qbc h GLN 38 N 0.00 0.24 -0.54 1.61 4.15 -1.98 -2.43 115.11 116.15 2qbc h GLN 38 Ca 0.00 -0.05 0.16 0.00 0.77 0.00 0.00 58.65 59.52 2qbc h GLN 38 Cb 0.00 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.64 2qbc h GLN 38 CO 0.00 0.38 0.39 0.87 -1.93 0.00 0.00 178.83 178.54 2qbc h LYS 39 N 0.22 0.00 0.00 1.69 1.79 -1.93 -2.22 116.57 116.13 2qbc h LYS 39 Ca 0.05 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 2qbc h LYS 39 Cb 0.38 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.03 2qbc h LYS 39 CO 0.02 0.00 0.00 -1.13 -1.08 0.00 0.00 179.45 177.26 2qbc n SER 40 N -4.37 0.00 -1.19 0.86 3.41 -0.91 -4.04 113.62 107.38 2qbc n SER 40 Ca 0.10 -0.73 0.00 0.00 -0.26 0.00 0.00 58.87 57.98 2qbc n SER 40 Cb 0.62 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.57 2qbc n SER 40 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2qbc n ARG 41 N -0.73 -3.37 -1.51 4.33 1.74 -1.26 -3.96 116.66 111.89 2qbc n ARG 41 Ca 0.00 2.47 -0.40 0.00 -0.77 0.00 0.00 57.85 59.14 2qbc n ARG 41 Cb 0.00 -2.74 0.02 0.00 -1.02 0.00 0.00 32.46 28.72 2qbc n ARG 41 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2qbc n SER 42 N -0.29 -0.25 0.00 0.55 3.41 -1.26 0.19 113.62 115.98 2qbc n SER 42 Ca 0.00 0.89 0.00 0.00 -0.26 0.00 0.00 58.87 59.50 2qbc n SER 42 Cb 0.00 -1.21 0.00 0.00 -0.26 0.00 0.00 64.21 62.74 2qbc n SER 42 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qbc n GLY 43 N 1.59 0.38 2.69 5.00 0.00 -1.26 -4.97 105.19 108.62 2qbc n GLY 43 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.88 2qbc n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qbc n GLY 44 N -1.55 -3.67 0.00 -0.02 0.00 0.13 -4.95 105.19 95.13 2qbc n GLY 44 Ca 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.69 2qbc n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qbc n GLY 45 N -4.53 -0.07 3.95 -0.02 0.00 -0.84 -4.96 105.19 98.72 2qbc n GLY 45 Ca 0.12 -1.51 -0.23 0.00 0.00 0.00 0.00 46.02 44.39 2qbc n GLY 45 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2qbc s VAL 46 N -2.56 3.11 1.04 1.61 -7.23 -1.26 -4.95 120.40 110.16 2qbc s VAL 46 Ca 0.00 -0.42 -0.17 0.00 -1.81 0.00 0.00 61.98 59.58 2qbc s VAL 46 Cb 0.00 -3.21 0.27 0.00 0.56 0.00 0.00 36.38 34.00 2qbc s VAL 46 CO 0.00 -0.17 0.71 -2.11 -0.31 0.00 0.00 175.10 173.22 2qbc n ARG 47 N -2.44 -3.63 -2.92 4.82 1.85 -1.26 -4.97 116.66 108.11 2qbc n ARG 47 Ca 0.06 -1.17 -0.40 0.00 -1.00 0.00 0.00 57.85 55.34 2qbc n ARG 47 Cb 0.59 -1.35 -0.05 0.00 -1.05 0.00 0.00 32.46 30.59 2qbc n ARG 47 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 2qbc s ARG 48 N -4.67 4.59 -1.43 2.89 3.52 -1.26 -3.84 118.95 118.75 2qbc s ARG 48 Ca 0.51 1.20 -0.03 0.00 -0.13 0.00 0.00 55.73 57.28 2qbc s ARG 48 Cb -0.08 -3.32 0.01 0.00 -1.56 0.00 0.00 34.95 30.01 2qbc s ARG 48 CO 0.42 0.40 0.27 0.41 -0.81 0.00 0.00 175.30 175.99 2qbc n GLY 49 N 1.99 -0.50 3.28 8.12 0.00 -1.26 -4.88 105.19 111.93 2qbc n GLY 49 Ca -0.03 0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 2qbc n GLY 49 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2qbc n PHE 50 N -3.98 4.33 -1.54 1.61 -0.00 -1.25 -4.79 117.46 111.84 2qbc n PHE 50 Ca -0.14 -3.17 -0.26 0.00 -0.00 0.00 0.00 57.45 53.88 2qbc n PHE 50 Cb 0.62 -2.12 -0.08 0.00 -0.00 0.00 0.00 39.48 37.90 2qbc n PHE 50 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.76 174.85 2qbc n GLU 51 N 5.09 0.61 0.00 -4.13 2.13 -1.26 -4.65 120.64 118.44 2qbc n GLU 51 Ca 0.38 -0.34 0.00 0.00 0.66 0.00 0.00 57.16 57.86 2qbc n GLU 51 Cb 0.41 -3.04 0.00 0.00 0.27 0.00 0.00 31.44 29.08 2qbc n GLU 51 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2qbc n GLY 52 N 6.32 1.19 0.00 8.31 0.00 -1.26 -2.52 105.19 117.23 2qbc n GLY 52 Ca 0.48 0.67 0.00 0.00 0.00 0.00 0.00 46.02 47.17 2qbc n GLY 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qbc n GLY 53 N 0.00 0.00 0.00 -0.02 0.00 -1.26 -5.09 105.19 98.81 2qbc n GLY 53 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2qbc n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qbc n GLN 54 N -0.42 -0.41 -2.65 1.61 10.64 -1.05 -4.92 117.38 120.17 2qbc n GLN 54 Ca 0.00 0.00 -0.43 0.00 -1.83 0.00 0.00 57.00 54.74 2qbc n GLN 54 Cb 0.01 0.00 -0.02 0.00 -0.86 0.00 0.00 30.24 29.37 2qbc n GLN 54 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.06 176.64 2qbc s MET 55 N -1.62 4.27 0.80 2.61 -2.45 -1.26 -4.79 119.30 116.86 2qbc s MET 55 Ca 0.00 1.37 -0.15 0.00 -1.25 0.00 0.00 55.69 55.67 2qbc s MET 55 Cb 0.00 -3.63 0.02 0.00 1.25 0.00 0.00 34.83 32.46 2qbc s MET 55 CO 0.00 -0.60 0.76 -2.30 1.05 0.00 0.00 175.02 173.93 2qbc n PRO 56 N 6.21 0.17 -0.18 4.11 -0.02 -1.26 -4.68 135.00 139.34 2qbc n PRO 56 Ca 0.12 0.11 -0.03 0.00 -2.02 0.00 0.00 63.50 61.68 2qbc n PRO 56 Cb 0.46 -2.07 0.17 0.00 -0.02 0.00 0.00 33.50 32.05 2qbc n PRO 56 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2qbc h LEU 57 N -0.77 0.86 -1.38 2.45 5.85 -1.95 -0.87 115.31 119.49 2qbc h LEU 57 Ca -0.45 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.14 2qbc h LEU 57 Cb 1.32 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.13 2qbc h LEU 57 CO 0.42 0.79 0.00 0.00 -0.34 0.00 0.00 178.44 179.31 2qbc n TYR 58 N -4.30 0.00 0.04 1.25 0.18 -1.26 -3.38 117.16 109.69 2qbc n TYR 58 Ca 0.05 -0.17 0.00 0.00 1.88 0.00 0.00 57.90 59.66 2qbc n TYR 58 Cb 0.19 -0.15 0.00 0.00 -0.38 0.00 0.00 39.34 39.00 2qbc n TYR 58 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 2qbc n ARG 59 N 0.24 0.00 0.00 -3.48 5.12 -0.41 -4.76 116.66 113.37 2qbc n ARG 59 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2qbc n ARG 59 Cb 0.31 -0.26 0.00 0.00 -1.16 0.00 0.00 32.46 31.35 2qbc n ARG 59 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 2qbc n ARG 60 N -3.03 0.56 -4.15 5.56 1.85 -0.75 -4.58 116.66 112.11 2qbc n ARG 60 Ca 0.00 0.00 -0.32 0.00 -1.00 0.00 0.00 57.85 56.53 2qbc n ARG 60 Cb 0.16 -1.02 -0.16 0.00 -1.05 0.00 0.00 32.46 30.39 2qbc n ARG 60 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2qbc s LEU 61 N -0.92 1.98 0.88 2.89 1.02 -1.22 -5.09 118.68 118.22 2qbc s LEU 61 Ca 0.00 -0.59 -0.13 0.00 0.02 0.00 0.00 54.13 53.43 2qbc s LEU 61 Cb 0.00 -1.37 0.04 0.00 0.02 0.00 0.00 46.19 44.87 2qbc s LEU 61 CO 0.00 -0.01 0.59 -2.65 0.02 0.00 0.00 176.35 174.31 2qbc n PRO 62 N 4.60 -0.12 -4.14 1.29 -0.02 -1.26 -4.96 135.00 130.39 2qbc n PRO 62 Ca -0.20 0.02 -0.34 0.00 -2.02 0.00 0.00 63.50 60.96 2qbc n PRO 62 Cb 0.50 -1.97 -0.14 0.00 -0.02 0.00 0.00 33.50 31.88 2qbc n PRO 62 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 2qbc s LYS 63 N -3.59 3.42 -0.78 -0.52 -2.85 -1.26 -5.01 119.74 109.15 2qbc s LYS 63 Ca 0.62 -0.62 -0.02 0.00 -1.00 0.00 0.00 55.97 54.95 2qbc s LYS 63 Cb -0.25 -2.92 0.38 0.00 -2.06 0.00 0.00 37.83 32.98 2qbc s LYS 63 CO 0.63 -0.06 2.00 1.97 0.10 0.00 0.00 175.35 179.98 2qbc n PHE 64 N 4.39 3.06 -1.10 1.78 1.16 -1.26 -5.03 117.46 120.45 2qbc n PHE 64 Ca -0.18 -2.55 -0.35 0.00 -1.87 0.00 0.00 57.45 52.50 2qbc n PHE 64 Cb 0.51 -1.23 0.09 0.00 -1.61 0.00 0.00 39.48 37.24 2qbc n PHE 64 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2qbc n GLY 65 N -0.65 -1.73 0.00 4.97 0.00 -1.26 -5.01 105.19 101.51 2qbc n GLY 65 Ca 0.56 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2qbc n GLY 65 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2qbc n PHE 66 N -2.79 0.00 -5.11 1.61 7.35 -1.26 -5.16 117.46 112.10 2qbc n PHE 66 Ca 0.09 0.00 -0.31 0.00 -0.76 0.00 0.00 57.45 56.47 2qbc n PHE 66 Cb 0.51 0.00 -0.17 0.00 0.35 0.00 0.00 39.48 40.17 2qbc n PHE 66 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2qbc s THR 67 N 0.00 1.94 0.23 -2.13 -4.23 -1.26 -5.05 115.64 105.14 2qbc s THR 67 Ca 0.00 -0.95 -0.18 0.00 -1.18 0.00 0.00 61.69 59.38 2qbc s THR 67 Cb 0.00 -1.69 0.23 0.00 1.34 0.00 0.00 72.50 72.38 2qbc s THR 67 CO 0.00 0.53 1.55 0.77 -0.54 0.00 0.00 174.62 176.94 2qbc h SER 68 N 6.78 -1.42 -0.25 3.99 4.64 -2.02 -3.44 113.55 121.83 2qbc h SER 68 Ca -0.21 0.31 -0.11 0.00 -0.47 0.00 0.00 61.79 61.31 2qbc h SER 68 Cb 1.23 0.75 -0.04 0.00 -0.31 0.00 0.00 62.40 64.02 2qbc h SER 68 CO 0.47 -0.29 -0.10 -1.14 -0.87 0.00 0.00 176.83 174.91 2qbc n ARG 69 N -5.47 -1.55 0.02 4.77 0.00 -1.26 -4.51 116.66 108.67 2qbc n ARG 69 Ca 0.10 0.63 0.00 0.00 -0.00 0.00 0.00 57.85 58.58 2qbc n ARG 69 Cb 0.40 -4.89 0.00 0.00 0.00 0.00 0.00 32.46 27.97 2qbc n ARG 69 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 2qbc n LYS 70 N -0.48 0.00 0.27 -0.14 4.81 -1.26 -4.80 118.16 116.56 2qbc n LYS 70 Ca -0.05 0.00 0.16 0.00 -0.87 0.00 0.00 58.31 57.55 2qbc n LYS 70 Cb 0.47 0.00 0.87 0.00 0.02 0.00 0.00 35.03 36.38 2qbc n LYS 70 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2qbc h ALA 71 N 0.00 1.11 0.00 3.14 0.00 -1.93 0.30 119.26 121.88 2qbc h ALA 71 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2qbc h ALA 71 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2qbc h ALA 71 CO 0.00 -0.11 -0.13 0.00 0.00 0.00 0.00 179.25 179.01 2qbc h ALA 72 N 1.74 1.38 -0.39 0.00 0.00 -1.92 -0.77 119.26 119.30 2qbc h ALA 72 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2qbc h ALA 72 Cb 0.24 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2qbc h ALA 72 CO 0.00 0.16 0.00 0.44 0.00 0.00 0.00 179.25 179.85 2qbc n ILE 73 N -3.80 0.67 -3.61 0.00 -5.35 0.10 -4.86 119.36 102.50 2qbc n ILE 73 Ca -0.02 -0.83 -0.36 0.00 -0.27 0.00 0.00 62.75 61.26 2qbc n ILE 73 Cb 0.23 0.79 -0.07 0.00 -1.74 0.00 0.00 39.64 38.85 2qbc n ILE 73 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 2qbc s THR 74 N -1.17 5.32 0.35 7.28 2.01 -0.30 -0.18 115.64 128.96 2qbc s THR 74 Ca 0.32 0.48 0.05 0.00 0.31 0.00 0.00 61.69 62.85 2qbc s THR 74 Cb 0.18 -3.58 0.05 0.00 0.01 0.00 0.00 72.50 69.17 2qbc s THR 74 CO 0.25 0.46 0.45 0.00 -0.69 0.00 0.00 174.62 175.08 2qbc n ALA 75 N 3.11 0.72 -3.12 7.40 0.00 0.35 -4.95 120.51 124.01 2qbc n ALA 75 Ca -0.14 -1.30 -0.17 0.00 0.00 0.00 0.00 53.44 51.83 2qbc n ALA 75 Cb 0.52 0.39 -0.05 0.00 0.00 0.00 0.00 19.45 20.31 2qbc n ALA 75 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2qbc s GLU 76 N -3.57 0.98 0.71 0.00 2.12 -1.26 -3.69 118.70 113.98 2qbc s GLU 76 Ca 0.34 -1.66 -0.15 0.00 0.36 0.00 0.00 54.97 53.86 2qbc s GLU 76 Cb -0.03 -0.82 0.03 0.00 0.26 0.00 0.00 34.13 33.57 2qbc s GLU 76 CO 0.22 -1.36 1.19 0.42 -0.54 0.00 0.00 175.26 175.18 2qbc s ILE 77 N 0.41 2.49 0.24 -3.70 1.01 0.34 -4.94 121.20 117.05 2qbc s ILE 77 Ca 0.32 0.24 0.12 0.00 0.00 0.00 0.00 60.65 61.33 2qbc s ILE 77 Cb 0.02 -2.82 -0.05 0.00 0.01 0.00 0.00 42.46 39.62 2qbc s ILE 77 CO -0.13 -0.13 -0.21 -0.13 0.00 0.00 0.00 174.94 174.34 2qbc s ARG 78 N -3.89 1.60 0.19 2.79 0.52 -1.21 -4.03 118.95 114.92 2qbc s ARG 78 Ca 0.73 -1.66 -0.11 0.00 -0.52 0.00 0.00 55.73 54.17 2qbc s ARG 78 Cb -0.28 -1.76 0.12 0.00 0.52 0.00 0.00 34.95 33.56 2qbc s ARG 78 CO 0.43 0.35 1.83 -0.07 0.02 0.00 0.00 175.30 177.86 2qbc h LEU 79 N 2.65 0.83 -1.88 2.53 3.38 -1.70 -1.63 115.31 119.48 2qbc h LEU 79 Ca -0.42 -0.07 0.30 0.00 0.09 0.00 0.00 57.88 57.78 2qbc h LEU 79 Cb 1.24 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.72 2qbc h LEU 79 CO 0.55 0.66 0.76 0.77 0.09 0.00 0.00 178.44 181.27 2qbc h SER 80 N 0.94 0.08 0.00 -0.43 4.64 -1.88 -3.37 113.55 113.53 2qbc h SER 80 Ca 0.25 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 2qbc h SER 80 Cb -0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 2qbc h SER 80 CO -0.04 0.02 0.00 0.47 -0.87 0.00 0.00 176.83 176.40 2qbc n ASP 81 N -4.28 0.00 0.00 4.97 8.00 -0.61 -4.25 116.55 120.38 2qbc n ASP 81 Ca 0.23 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.73 2qbc n ASP 81 Cb 1.10 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.20 2qbc n ASP 81 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2qbc n LEU 82 N 0.00 0.00 0.00 0.64 4.77 -1.26 -4.41 117.00 116.73 2qbc n LEU 82 Ca 0.00 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.02 2qbc n LEU 82 Cb 0.00 0.00 0.24 0.00 -2.33 0.00 0.00 43.42 41.33 2qbc n LEU 82 CO 0.00 0.00 0.47 0.00 -1.33 0.00 0.00 177.39 176.53 2qbc n ALA 83 N 0.00 2.05 -1.14 -1.18 0.00 -1.26 -1.46 120.51 117.51 2qbc n ALA 83 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2qbc n ALA 83 Cb 0.00 -1.13 0.01 0.00 0.00 0.00 0.00 19.45 18.32 2qbc n ALA 83 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2qbc n LYS 84 N -0.76 0.40 0.00 0.00 2.85 -1.26 -4.77 118.16 114.62 2qbc n LYS 84 Ca 0.06 -0.83 0.00 0.00 -1.05 0.00 0.00 58.31 56.49 2qbc n LYS 84 Cb 0.03 -0.60 0.00 0.00 -0.65 0.00 0.00 35.03 33.80 2qbc n LYS 84 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 177.40 178.90 2qbc n VAL 85 N -0.12 0.00 -2.36 0.58 3.14 -0.54 -4.90 118.33 114.13 2qbc n VAL 85 Ca 0.01 0.00 -0.03 0.00 -2.96 0.00 0.00 64.34 61.36 2qbc n VAL 85 Cb 0.53 -0.20 -0.03 0.00 -1.06 0.00 0.00 33.84 33.08 2qbc n VAL 85 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 2qbc n GLU 86 N -0.30 -3.29 0.00 1.45 4.07 -1.26 -4.76 120.64 116.55 2qbc n GLU 86 Ca 0.00 2.63 0.00 0.00 -0.06 0.00 0.00 57.16 59.73 2qbc n GLU 86 Cb 0.09 -4.18 0.00 0.00 -0.06 0.00 0.00 31.44 27.28 2qbc n GLU 86 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2qbc n GLY 87 N 1.08 1.39 0.00 8.31 0.00 -1.26 -4.86 105.19 109.85 2qbc n GLY 87 Ca -0.23 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.27 2qbc n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qbc n GLY 88 N 0.00 5.04 2.63 -0.02 0.00 -1.26 -4.91 105.19 106.66 2qbc n GLY 88 Ca 0.00 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 44.08 2qbc n GLY 88 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2qbc n VAL 89 N 0.00 -0.77 -2.35 1.61 3.14 -1.25 -4.76 118.33 113.94 2qbc n VAL 89 Ca 0.00 0.00 -0.43 0.00 -2.96 0.00 0.00 64.34 60.95 2qbc n VAL 89 Cb 0.00 -2.12 0.00 0.00 -1.06 0.00 0.00 33.84 30.66 2qbc n VAL 89 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 2qbc n VAL 90 N 2.32 4.00 -0.60 1.55 0.31 -0.92 -4.76 118.33 120.23 2qbc n VAL 90 Ca 0.00 -4.03 -0.30 0.00 -0.01 0.00 0.00 64.34 60.00 2qbc n VAL 90 Cb 0.00 -2.45 0.20 0.00 -0.91 0.00 0.00 33.84 30.68 2qbc n VAL 90 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2qbc n ASP 91 N 5.81 -0.52 -0.18 4.52 -0.08 -1.25 -0.46 116.55 124.38 2qbc n ASP 91 Ca 0.44 0.20 -0.03 0.00 -1.51 0.00 0.00 54.79 53.90 2qbc n ASP 91 Cb 0.40 -1.39 0.04 0.00 2.34 0.00 0.00 41.12 42.52 2qbc n ASP 91 CO 0.00 0.00 0.00 0.17 0.12 0.00 0.00 177.20 177.49 2qbc h LEU 92 N -2.19 -0.68 0.00 -2.67 -0.00 -1.44 -3.39 115.31 104.94 2qbc h LEU 92 Ca -0.50 0.18 0.00 0.00 -0.00 0.00 0.00 57.88 57.56 2qbc h LEU 92 Cb 1.29 0.40 0.00 0.00 -0.00 0.00 0.00 40.66 42.36 2qbc h LEU 92 CO 0.44 -0.23 0.00 -0.46 -0.00 0.00 0.00 178.44 178.19 2qbc n ASN 93 N -5.42 0.00 0.00 0.17 6.94 -1.26 -4.66 115.26 111.04 2qbc n ASN 93 Ca 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.62 2qbc n ASN 93 Cb 0.32 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.74 2qbc n ASN 93 CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 177.26 176.64 2qbc n THR 94 N 0.00 0.00 -0.35 5.53 -1.04 -1.26 -3.44 114.28 113.72 2qbc n THR 94 Ca 0.00 0.00 0.15 0.00 -2.04 0.00 0.00 64.05 62.16 2qbc n THR 94 Cb 0.00 0.00 0.35 0.00 -1.82 0.00 0.00 70.33 68.86 2qbc n THR 94 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2qbc h LEU 95 N 0.00 0.73 -0.57 -4.42 3.38 -1.83 0.91 115.31 113.52 2qbc h LEU 95 Ca 0.00 0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 2qbc h LEU 95 Cb 0.00 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 2qbc h LEU 95 CO 0.00 0.21 0.27 0.11 0.09 0.00 0.00 178.44 179.12 2qbc h LYS 96 N 0.69 0.83 -0.49 1.13 1.57 -1.84 0.81 116.57 119.26 2qbc h LYS 96 Ca 0.60 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 59.25 2qbc h LYS 96 Cb 1.03 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.20 2qbc h LYS 96 CO -0.41 0.68 0.00 0.00 -0.57 0.00 0.00 179.45 179.15 2qbc n ALA 97 N -2.33 2.63 -0.60 3.86 0.00 0.26 -2.81 120.51 121.51 2qbc n ALA 97 Ca 0.03 -0.39 0.02 0.00 0.00 0.00 0.00 53.44 53.10 2qbc n ALA 97 Cb 0.13 -1.01 0.03 0.00 0.00 0.00 0.00 19.45 18.60 2qbc n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbc n ALA 98 N 0.09 1.86 -3.29 0.00 0.00 0.21 -4.97 120.51 114.41 2qbc n ALA 98 Ca 0.07 -1.25 -0.08 0.00 0.00 0.00 0.00 53.44 52.17 2qbc n ALA 98 Cb 0.30 -0.13 0.00 0.00 0.00 0.00 0.00 19.45 19.62 2qbc n ALA 98 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2qbc n ASN 99 N -0.56 -6.89 -0.10 0.00 4.13 -0.70 -4.93 115.26 106.21 2qbc n ASN 99 Ca 0.03 -0.35 0.00 0.00 1.68 0.00 0.00 54.58 55.94 2qbc n ASN 99 Cb 0.42 -4.19 0.00 0.00 -1.54 0.00 0.00 39.78 34.47 2qbc n ASN 99 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2qbc n ILE 100 N -2.04 0.00 0.00 2.41 3.06 -0.88 -5.03 119.36 116.88 2qbc n ILE 100 Ca -0.10 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.15 2qbc n ILE 100 Cb 0.56 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.74 2qbc n ILE 100 CO 0.00 0.00 0.00 -0.38 -2.50 0.00 0.00 176.55 173.67 2qbc n ILE 101 N 0.00 0.00 0.00 9.51 2.08 -1.25 -4.88 119.36 124.82 2qbc n ILE 101 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 2qbc n ILE 101 Cb 0.33 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.22 2qbc n ILE 101 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2qbc n GLY 102 N 1.00 3.85 0.42 7.39 0.00 -1.26 -4.78 105.19 111.81 2qbc n GLY 102 Ca 0.00 -0.69 0.21 0.00 0.00 0.00 0.00 46.02 45.55 2qbc n GLY 102 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2qbc h ILE 103 N 0.00 0.21 0.00 -0.61 5.03 -1.99 0.62 117.51 120.77 2qbc h ILE 103 Ca 0.00 0.00 -0.21 0.00 -0.12 0.00 0.00 64.86 64.53 2qbc h ILE 103 Cb 0.00 0.45 -0.04 0.00 -3.03 0.00 0.00 36.82 34.20 2qbc h ILE 103 CO 0.00 0.00 -1.47 1.56 -0.68 0.00 0.00 178.15 177.56 2qbc h GLN 104 N 0.00 0.00 -6.83 2.37 1.08 -1.97 -3.48 115.11 106.28 2qbc h GLN 104 Ca 0.25 0.00 -0.54 0.00 -1.45 0.00 0.00 58.65 56.90 2qbc h GLN 104 Cb 1.57 0.00 0.20 0.00 -0.05 0.00 0.00 27.48 29.19 2qbc h GLN 104 CO -0.00 0.40 -0.29 -0.89 -0.95 0.00 0.00 178.83 177.10 2qbc n ILE 105 N -2.98 1.15 0.00 2.54 2.08 0.21 -4.88 119.36 117.48 2qbc n ILE 105 Ca -0.12 -0.27 0.00 0.00 0.56 0.00 0.00 62.75 62.92 2qbc n ILE 105 Cb 0.92 -0.80 0.00 0.00 -0.75 0.00 0.00 39.64 39.01 2qbc n ILE 105 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 2qbc n GLU 106 N -1.70 0.00 -4.40 0.38 1.02 0.75 -4.98 120.64 111.71 2qbc n GLU 106 Ca 0.10 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.92 2qbc n GLU 106 Cb 0.51 -0.34 -0.10 0.00 -0.02 0.00 0.00 31.44 31.49 2qbc n GLU 106 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2qbc s PHE 107 N -1.39 2.90 0.10 -0.32 0.08 -1.11 -5.01 117.98 113.23 2qbc s PHE 107 Ca 0.00 -0.04 -0.19 0.00 0.12 0.00 0.00 56.93 56.82 2qbc s PHE 107 Cb 0.00 -1.60 0.05 0.00 -0.57 0.00 0.00 43.02 40.90 2qbc s PHE 107 CO 0.00 0.39 0.47 0.00 -0.10 0.00 0.00 175.22 175.99 2qbc s ALA 108 N -1.05 -1.17 0.14 5.36 0.00 -1.26 0.13 121.76 123.92 2qbc s ALA 108 Ca 0.18 0.27 0.11 0.00 0.00 0.00 0.00 51.96 52.52 2qbc s ALA 108 Cb -0.11 0.60 -0.04 0.00 0.00 0.00 0.00 23.12 23.57 2qbc s ALA 108 CO 0.09 -0.61 -0.26 0.15 0.00 0.00 0.00 175.76 175.13 2qbc s LYS 109 N -3.27 1.42 -0.06 0.00 -0.14 -1.24 -3.08 119.74 113.37 2qbc s LYS 109 Ca -0.01 -1.39 -0.19 0.00 -1.36 0.00 0.00 55.97 53.03 2qbc s LYS 109 Cb 0.00 -1.86 -0.14 0.00 -1.68 0.00 0.00 37.83 34.15 2qbc s LYS 109 CO -0.08 0.43 0.74 0.28 -0.76 0.00 0.00 175.35 175.96 2qbc h VAL 110 N 3.72 0.73 -3.59 3.17 2.07 -1.55 0.98 116.25 121.78 2qbc h VAL 110 Ca -0.50 -1.15 0.27 0.00 0.82 0.00 0.00 66.70 66.15 2qbc h VAL 110 Cb 1.18 1.26 -0.15 0.00 -1.52 0.00 0.00 31.29 32.05 2qbc h VAL 110 CO 0.41 0.20 -1.22 -0.38 0.02 0.00 0.00 177.57 176.60 2qbc n ILE 111 N -4.91 -1.41 -3.41 4.57 2.08 -1.26 -3.31 119.36 111.71 2qbc n ILE 111 Ca -0.07 1.08 -0.39 0.00 0.56 0.00 0.00 62.75 63.94 2qbc n ILE 111 Cb 0.25 -1.68 -0.09 0.00 -0.75 0.00 0.00 39.64 37.36 2qbc n ILE 111 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 2qbc s LEU 112 N -6.86 4.05 -0.12 1.39 0.20 -1.26 -3.52 118.68 112.55 2qbc s LEU 112 Ca 0.00 0.28 0.05 0.00 0.69 0.00 0.00 54.13 55.15 2qbc s LEU 112 Cb 0.00 -2.40 -0.11 0.00 -0.43 0.00 0.00 46.19 43.25 2qbc s LEU 112 CO 0.00 -0.16 -0.04 0.00 -0.29 0.00 0.00 176.35 175.86 2qbc n ALA 113 N 5.22 1.72 0.00 5.97 0.00 -1.26 -4.75 120.51 127.42 2qbc n ALA 113 Ca -0.09 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.71 2qbc n ALA 113 Cb 0.51 0.11 0.00 0.00 0.00 0.00 0.00 19.45 20.07 2qbc n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qbc n GLY 114 N 2.61 1.92 3.22 0.00 0.00 -1.26 -4.82 105.19 106.86 2qbc n GLY 114 Ca -0.21 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.71 2qbc n GLY 114 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qbc s GLU 115 N 0.00 0.82 0.00 1.61 8.01 -1.26 -4.90 118.70 122.98 2qbc s GLU 115 Ca 0.00 -0.73 0.00 0.00 0.01 0.00 0.00 54.97 54.25 2qbc s GLU 115 Cb 0.00 0.34 0.00 0.00 -4.31 0.00 0.00 34.13 30.16 2qbc s GLU 115 CO 0.00 -0.26 0.00 1.55 0.01 0.00 0.00 175.26 176.56 2qbc n VAL 116 N 0.28 0.00 0.00 2.63 3.14 -1.26 -3.89 118.33 119.23 2qbc n VAL 116 Ca -0.17 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.21 2qbc n VAL 116 Cb 0.61 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.39 2qbc n VAL 116 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 2qbc n THR 117 N -0.87 0.00 -2.62 1.55 -1.04 -1.26 -4.81 114.28 105.23 2qbc n THR 117 Ca 0.00 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.60 2qbc n THR 117 Cb 0.00 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.47 2qbc n THR 117 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 2qbc s THR 118 N 0.00 4.27 0.21 12.58 -1.32 -1.26 -4.79 115.64 125.32 2qbc s THR 118 Ca 0.00 1.85 -0.32 0.00 -1.21 0.00 0.00 61.69 62.01 2qbc s THR 118 Cb 0.00 -4.18 -0.12 0.00 -1.51 0.00 0.00 72.50 66.69 2qbc s THR 118 CO 0.00 0.27 1.72 -2.84 -2.21 0.00 0.00 174.62 171.55 2qbc s PRO 119 N 0.09 4.13 0.08 7.08 0.02 -1.16 -4.96 135.00 140.28 2qbc s PRO 119 Ca 0.50 2.60 0.02 0.00 0.02 0.00 0.00 61.00 64.13 2qbc s PRO 119 Cb -0.26 -3.08 -0.04 0.00 0.02 0.00 0.00 34.50 31.15 2qbc s PRO 119 CO 0.31 -0.75 -0.07 0.08 -0.33 0.00 0.00 177.00 176.25 2qbc s VAL 120 N 1.17 0.65 -0.63 3.83 1.01 -1.26 -4.95 120.40 120.21 2qbc s VAL 120 Ca 0.75 -1.69 0.05 0.00 0.00 0.00 0.00 61.98 61.08 2qbc s VAL 120 Cb -0.49 -1.37 0.16 0.00 0.00 0.00 0.00 36.38 34.67 2qbc s VAL 120 CO 0.32 -0.73 0.44 0.42 0.00 0.00 0.00 175.10 175.55 2qbc s THR 121 N -2.98 2.38 0.08 3.92 -4.23 -1.26 -0.57 115.64 112.98 2qbc s THR 121 Ca 0.06 -3.86 -0.36 0.00 -1.18 0.00 0.00 61.69 56.35 2qbc s THR 121 Cb 0.01 -2.58 -0.15 0.00 1.34 0.00 0.00 72.50 71.12 2qbc s THR 121 CO -0.03 -1.02 1.51 1.33 -0.54 0.00 0.00 174.62 175.87 2qbc n VAL 122 N 2.28 0.06 -5.12 2.29 0.24 -0.86 -2.17 118.33 115.06 2qbc n VAL 122 Ca 0.20 -0.01 -0.32 0.00 -2.04 0.00 0.00 64.34 62.17 2qbc n VAL 122 Cb 0.37 -1.24 -0.15 0.00 -1.47 0.00 0.00 33.84 31.35 2qbc n VAL 122 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 2qbc s ARG 123 N 1.14 2.46 -0.89 7.34 3.00 0.39 -0.91 118.95 131.48 2qbc s ARG 123 Ca 0.83 -0.83 -0.06 0.00 -1.00 0.00 0.00 55.73 54.67 2qbc s ARG 123 Cb -0.82 -2.23 -0.00 0.00 0.00 0.00 0.00 34.95 31.89 2qbc s ARG 123 CO 0.44 0.51 0.69 0.41 0.00 0.00 0.00 175.30 177.35 2qbc n GLY 124 N 2.62 -1.20 3.76 8.12 0.00 -1.26 -1.78 105.19 115.45 2qbc n GLY 124 Ca -0.17 0.52 -0.05 0.00 0.00 0.00 0.00 46.02 46.32 2qbc n GLY 124 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qbc n LEU 125 N -2.81 0.00 -4.67 0.99 4.77 -1.26 -3.78 117.00 110.23 2qbc n LEU 125 Ca -0.15 -1.80 -0.23 0.00 -0.03 0.00 0.00 56.01 53.80 2qbc n LEU 125 Cb 0.60 3.10 -0.07 0.00 -2.33 0.00 0.00 43.42 44.72 2qbc n LEU 125 CO 0.61 -0.60 -0.28 -0.13 -1.33 0.00 0.00 177.39 175.67 2qbc s ARG 126 N -2.06 2.28 -0.24 3.23 0.52 -1.18 -4.24 118.95 117.26 2qbc s ARG 126 Ca 0.20 -1.53 -0.21 0.00 -0.52 0.00 0.00 55.73 53.67 2qbc s ARG 126 Cb -0.03 -2.12 0.06 0.00 0.52 0.00 0.00 34.95 33.38 2qbc s ARG 126 CO 0.07 0.23 0.63 0.54 0.02 0.00 0.00 175.30 176.80 2qbc s VAL 127 N -2.40 -0.00 0.70 3.52 0.11 -1.26 -1.72 120.40 119.35 2qbc s VAL 127 Ca 0.34 0.00 -0.14 0.00 -2.93 0.00 0.00 61.98 59.26 2qbc s VAL 127 Cb -0.04 -0.88 0.02 0.00 -1.53 0.00 0.00 36.38 33.96 2qbc s VAL 127 CO 0.21 0.00 1.11 0.42 -3.33 0.00 0.00 175.10 173.51 2qbc s THR 128 N 0.43 3.18 -1.73 5.04 -4.23 -1.26 -4.78 115.64 112.29 2qbc s THR 128 Ca -0.01 0.50 0.18 0.00 -1.18 0.00 0.00 61.69 61.18 2qbc s THR 128 Cb -0.05 -3.00 0.42 0.00 1.34 0.00 0.00 72.50 71.22 2qbc s THR 128 CO -0.01 -0.39 1.50 2.29 -0.54 0.00 0.00 174.62 177.47 2qbc n LYS 129 N -2.80 0.42 -0.05 3.99 2.85 -1.26 -0.47 118.16 120.84 2qbc n LYS 129 Ca 0.10 0.06 -0.10 0.00 -1.05 0.00 0.00 58.31 57.32 2qbc n LYS 129 Cb 0.52 -1.50 -0.15 0.00 -0.65 0.00 0.00 35.03 33.26 2qbc n LYS 129 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2qbc n GLY 130 N 0.16 -0.95 0.12 2.58 0.00 -1.26 -4.02 105.19 101.82 2qbc n GLY 130 Ca 0.11 -0.16 -0.17 0.00 0.00 0.00 0.00 46.02 45.80 2qbc n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qbc h ALA 131 N 0.90 0.53 0.00 4.61 0.00 -1.70 -2.97 119.26 120.64 2qbc h ALA 131 Ca -0.40 -1.39 0.00 0.00 0.00 0.00 0.00 54.91 53.12 2qbc h ALA 131 Cb 2.09 0.59 0.00 0.00 0.00 0.00 0.00 17.79 20.48 2qbc h ALA 131 CO 0.06 1.39 0.24 -0.09 0.00 0.00 0.00 179.25 180.84 2qbc h ARG 132 N 0.05 0.00 0.01 0.00 2.43 -0.96 1.28 114.38 117.19 2qbc h ARG 132 Ca -0.36 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 58.48 2qbc h ARG 132 Cb 2.03 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 31.53 2qbc h ARG 132 CO 0.09 0.00 -1.84 0.00 -1.51 0.00 0.00 179.97 176.72 2qbc n ALA 133 N -1.93 0.97 -0.11 2.80 0.00 -1.24 -3.35 120.51 117.66 2qbc n ALA 133 Ca -0.02 -0.74 0.01 0.00 0.00 0.00 0.00 53.44 52.69 2qbc n ALA 133 Cb 0.29 -0.31 0.30 0.00 0.00 0.00 0.00 19.45 19.73 2qbc n ALA 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbc h ALA 134 N -0.58 1.50 -0.38 0.00 0.00 -0.94 1.03 119.26 119.89 2qbc h ALA 134 Ca -0.49 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.24 2qbc h ALA 134 Cb 1.51 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 2qbc h ALA 134 CO -0.25 0.42 -0.14 0.97 0.00 0.00 0.00 179.25 180.25 2qbc h ILE 135 N 0.78 1.28 0.00 0.00 2.10 0.14 -2.50 117.51 119.31 2qbc h ILE 135 Ca 0.20 -1.25 -0.04 0.00 1.08 0.00 0.00 64.86 64.85 2qbc h ILE 135 Cb 0.01 1.29 -0.01 0.00 -1.09 0.00 0.00 36.82 37.02 2qbc h ILE 135 CO -0.03 0.41 -0.19 -0.33 -1.08 0.00 0.00 178.15 176.93 2qbc h GLU 136 N 0.57 0.00 0.00 2.19 5.08 -1.35 0.38 114.58 121.45 2qbc h GLU 136 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2qbc h GLU 136 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 2qbc h GLU 136 CO 0.05 0.19 0.00 0.00 -1.00 0.00 0.00 179.01 178.24 2qbc n ALA 137 N -2.17 1.63 -2.39 3.43 0.00 0.35 -1.38 120.51 119.97 2qbc n ALA 137 Ca 0.01 -0.05 -0.00 0.00 0.00 0.00 0.00 53.44 53.40 2qbc n ALA 137 Cb 0.49 -1.16 0.06 0.00 0.00 0.00 0.00 19.45 18.84 2qbc n ALA 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbc n ALA 138 N -1.28 2.99 -3.57 0.00 0.00 -0.97 -4.97 120.51 112.71 2qbc n ALA 138 Ca 0.05 -2.82 -0.24 0.00 0.00 0.00 0.00 53.44 50.43 2qbc n ALA 138 Cb 0.08 -0.66 0.08 0.00 0.00 0.00 0.00 19.45 18.94 2qbc n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qbc n GLY 139 N -0.26 -0.55 3.89 0.00 0.00 -0.48 -3.00 105.19 104.79 2qbc n GLY 139 Ca 0.13 0.25 -0.30 0.00 0.00 0.00 0.00 46.02 46.10 2qbc n GLY 139 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qbc s GLY 140 N -3.28 2.01 0.10 -0.02 0.00 0.13 -4.35 107.32 101.91 2qbc s GLY 140 Ca 0.57 -0.40 0.09 0.00 0.00 0.00 0.00 44.72 44.99 2qbc s GLY 140 CO 0.71 -0.27 -0.23 1.25 0.00 0.00 0.00 173.10 174.57 2qbc s LYS 141 N -3.36 1.68 -0.08 2.90 2.36 0.26 -4.29 119.74 119.23 2qbc s LYS 141 Ca 0.46 -1.20 0.02 0.00 -2.55 0.00 0.00 55.97 52.70 2qbc s LYS 141 Cb -0.11 -2.02 -0.02 0.00 -1.05 0.00 0.00 37.83 34.63 2qbc s LYS 141 CO 0.27 0.48 -0.13 0.42 1.55 0.00 0.00 175.35 177.95 2qbc s ILE 142 N -1.03 3.16 0.00 5.43 1.09 -1.26 -2.02 121.20 126.57 2qbc s ILE 142 Ca 0.15 -0.67 0.00 0.00 -1.10 0.00 0.00 60.65 59.03 2qbc s ILE 142 Cb -0.10 -2.27 0.00 0.00 -1.06 0.00 0.00 42.46 39.02 2qbc s ILE 142 CO 0.07 0.57 0.02 -1.84 -0.10 0.00 0.00 174.94 173.66 2qbc n GLU 143 N 2.67 0.00 -0.56 2.79 0.00 -0.09 -4.97 120.64 120.48 2qbc n GLU 143 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 57.16 56.98 2qbc n GLU 143 Cb 0.52 -0.31 0.00 0.00 0.00 0.00 0.00 31.44 31.66 2qbc n GLU 143 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22