#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbe n LEU 3 N 0.00 0.00 0.00 6.15 4.77 -1.26 -4.00 117.00 122.67 2qbe n LEU 3 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2qbe n LEU 3 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2qbe n LEU 3 CO 0.00 -1.25 0.00 0.59 -1.33 0.00 0.00 177.39 175.40 2qbe n ASN 4 N -2.57 0.00 -0.25 -1.43 5.03 -1.26 -4.18 115.26 110.60 2qbe n ASN 4 Ca 0.00 0.00 0.22 0.00 0.87 0.00 0.00 54.58 55.67 2qbe n ASN 4 Cb 0.00 0.00 0.37 0.00 -1.02 0.00 0.00 39.78 39.13 2qbe n ASN 4 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 2qbe n THR 5 N 0.00 -0.16 -2.24 3.41 -2.24 -1.26 -4.30 114.28 107.49 2qbe n THR 5 Ca 0.00 1.03 -0.43 0.00 -2.27 0.00 0.00 64.05 62.38 2qbe n THR 5 Cb 0.00 -1.68 -0.02 0.00 -2.10 0.00 0.00 70.33 66.53 2qbe n THR 5 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 2qbe s LEU 6 N -7.73 3.85 0.29 3.22 2.34 -1.26 -5.01 118.68 114.38 2qbe s LEU 6 Ca -0.04 1.39 0.10 0.00 0.06 0.00 0.00 54.13 55.63 2qbe s LEU 6 Cb 0.18 -3.54 -0.05 0.00 -0.56 0.00 0.00 46.19 42.22 2qbe s LEU 6 CO 0.45 -1.23 -0.05 -0.44 -1.06 0.00 0.00 176.35 174.03 2qbe s SER 7 N 3.75 4.19 1.28 1.48 0.01 -1.26 -5.12 113.70 118.04 2qbe s SER 7 Ca 0.65 -0.85 -0.18 0.00 1.31 0.00 0.00 55.95 56.88 2qbe s SER 7 Cb -0.21 -0.61 0.32 0.00 0.21 0.00 0.00 66.02 65.73 2qbe s SER 7 CO 0.27 -0.07 1.00 -2.84 0.41 0.00 0.00 173.24 172.01 2qbe s PRO 8 N -3.65 -1.83 0.00 12.44 0.02 -1.26 -5.03 135.00 135.69 2qbe s PRO 8 Ca 0.32 0.35 0.00 0.00 0.02 0.00 0.00 61.00 61.69 2qbe s PRO 8 Cb -0.04 -1.49 0.00 0.00 0.02 0.00 0.00 34.50 32.99 2qbe s PRO 8 CO 0.19 -4.21 0.00 0.00 -0.33 0.00 0.00 177.00 172.65 2qbe n ALA 9 N -5.19 0.00 -3.71 -1.55 0.00 -1.26 -4.97 120.51 103.84 2qbe n ALA 9 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.16 2qbe n ALA 9 Cb 0.58 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.91 2qbe n ALA 9 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2qbe s GLU 10 N 0.00 2.12 0.00 0.00 2.56 -1.26 -4.42 118.70 117.70 2qbe s GLU 10 Ca 0.00 -1.69 0.00 0.00 0.00 0.00 0.00 54.97 53.28 2qbe s GLU 10 Cb 0.00 -3.52 0.00 0.00 2.00 0.00 0.00 34.13 32.61 2qbe s GLU 10 CO 0.00 -0.98 0.00 0.41 -0.56 0.00 0.00 175.26 174.13 2qbe n GLY 11 N 4.62 1.03 0.02 -1.50 0.00 -1.26 -4.97 105.19 103.13 2qbe n GLY 11 Ca -0.05 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.11 2qbe n GLY 11 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2qbe n SER 12 N 0.00 0.19 -3.59 1.61 7.64 -1.26 -4.53 113.62 113.67 2qbe n SER 12 Ca 0.00 0.03 -0.29 0.00 1.01 0.00 0.00 58.87 59.61 2qbe n SER 12 Cb 0.00 -0.24 -0.14 0.00 -1.01 0.00 0.00 64.21 62.82 2qbe n SER 12 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2qbe s LYS 13 N -2.82 0.54 -0.54 1.43 -0.14 -1.26 -5.03 119.74 111.92 2qbe s LYS 13 Ca 0.19 -1.03 -0.06 0.00 -1.36 0.00 0.00 55.97 53.71 2qbe s LYS 13 Cb 0.19 -1.54 -0.12 0.00 -1.68 0.00 0.00 37.83 34.68 2qbe s LYS 13 CO 0.54 -1.07 3.18 1.63 -0.76 0.00 0.00 175.35 178.86 2qbe n LYS 14 N 4.66 2.67 0.00 1.68 4.76 -1.26 -4.95 118.16 125.72 2qbe n LYS 14 Ca 0.01 -1.79 0.00 0.00 -2.87 0.00 0.00 58.31 53.66 2qbe n LYS 14 Cb 0.40 -2.24 0.00 0.00 -1.84 0.00 0.00 35.03 31.34 2qbe n LYS 14 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2qbe n ALA 15 N 2.23 0.00 0.00 7.82 0.00 -1.26 -4.76 120.51 124.54 2qbe n ALA 15 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.97 2qbe n ALA 15 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.09 2qbe n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qbe n GLY 16 N 0.00 4.32 3.66 0.00 0.00 -1.26 -5.14 105.19 106.77 2qbe n GLY 16 Ca 0.00 -0.74 -0.32 0.00 0.00 0.00 0.00 46.02 44.96 2qbe n GLY 16 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2qbe n LYS 17 N -1.51 -0.16 0.03 1.61 2.85 -1.26 -4.97 118.16 114.75 2qbe n LYS 17 Ca 0.00 0.02 0.00 0.00 -1.05 0.00 0.00 58.31 57.28 2qbe n LYS 17 Cb 0.00 -2.35 0.00 0.00 -0.65 0.00 0.00 35.03 32.03 2qbe n LYS 17 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2qbe n ARG 18 N -3.57 0.00 -1.61 -1.58 1.74 -1.26 -5.16 116.66 105.21 2qbe n ARG 18 Ca 0.12 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.20 2qbe n ARG 18 Cb 0.51 -0.18 0.00 0.00 -1.02 0.00 0.00 32.46 31.78 2qbe n ARG 18 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2qbe n LEU 19 N -2.92 -1.78 -3.85 0.55 4.32 -1.26 -4.79 117.00 107.26 2qbe n LEU 19 Ca 0.00 2.95 -0.25 0.00 -0.02 0.00 0.00 56.01 58.69 2qbe n LEU 19 Cb 0.12 -3.23 0.01 0.00 -1.62 0.00 0.00 43.42 38.70 2qbe n LEU 19 CO 0.00 -0.69 -0.09 0.61 -1.22 0.00 0.00 177.39 176.00 2qbe n GLY 20 N -2.44 -0.31 0.00 -0.72 0.00 0.12 -4.87 105.19 96.97 2qbe n GLY 20 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2qbe n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qbe n ARG 21 N -4.39 1.05 0.00 1.61 5.12 -1.26 -4.99 116.66 113.81 2qbe n ARG 21 Ca -0.22 -0.84 0.00 0.00 -1.93 0.00 0.00 57.85 54.86 2qbe n ARG 21 Cb 0.64 -0.77 0.00 0.00 -1.16 0.00 0.00 32.46 31.18 2qbe n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2qbe n GLY 22 N -0.20 3.56 0.38 -0.13 0.00 -1.26 -4.81 105.19 102.73 2qbe n GLY 22 Ca 0.00 -1.81 -0.00 0.00 0.00 0.00 0.00 46.02 44.20 2qbe n GLY 22 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2qbe h ILE 23 N 0.44 1.19 -0.26 -0.61 2.04 -1.96 -3.09 117.51 115.25 2qbe h ILE 23 Ca 0.00 -0.44 0.06 0.00 1.00 0.00 0.00 64.86 65.48 2qbe h ILE 23 Cb 0.00 -0.21 -0.08 0.00 -0.74 0.00 0.00 36.82 35.79 2qbe h ILE 23 CO 0.00 0.23 -0.37 1.23 0.00 0.00 0.00 178.15 179.24 2qbe h GLY 24 N 1.29 -0.48 0.57 5.37 0.00 -2.00 -0.60 103.07 107.20 2qbe h GLY 24 Ca 0.39 0.47 0.17 0.00 0.00 0.00 0.00 47.33 48.36 2qbe h GLY 24 CO -0.12 -0.21 0.55 1.48 0.00 0.00 0.00 176.54 178.24 2qbe h SER 25 N -0.37 0.00 0.00 0.19 4.64 -1.85 -3.45 113.55 112.71 2qbe h SER 25 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 2qbe h SER 25 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 2qbe h SER 25 CO -0.46 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.11 2qbe n GLY 26 N -1.57 0.67 2.66 -0.77 0.00 -0.23 -4.93 105.19 101.02 2qbe n GLY 26 Ca 0.12 -0.09 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 2qbe n GLY 26 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qbe n LEU 27 N 0.00 1.98 0.00 0.99 4.32 -1.26 -4.89 117.00 118.14 2qbe n LEU 27 Ca 0.00 -3.69 0.00 0.00 -0.02 0.00 0.00 56.01 52.30 2qbe n LEU 27 Cb 0.00 0.32 0.00 0.00 -1.62 0.00 0.00 43.42 42.12 2qbe n LEU 27 CO 0.00 1.49 0.00 0.61 -1.22 0.00 0.00 177.39 178.27 2qbe n GLY 28 N -0.31 -1.73 2.96 -0.72 0.00 -1.23 0.13 105.19 104.30 2qbe n GLY 28 Ca 0.13 -1.15 -0.40 0.00 0.00 0.00 0.00 46.02 44.61 2qbe n GLY 28 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2qbe n LYS 29 N 0.00 0.00 -3.38 1.61 2.85 -1.26 -2.36 118.16 115.62 2qbe n LYS 29 Ca 0.00 0.00 -0.19 0.00 -1.05 0.00 0.00 58.31 57.07 2qbe n LYS 29 Cb 0.00 -0.88 0.05 0.00 -0.65 0.00 0.00 35.03 33.55 2qbe n LYS 29 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 2qbe n THR 30 N -0.48 -8.14 -1.10 0.58 -2.24 -1.26 -4.59 114.28 97.04 2qbe n THR 30 Ca 0.13 -1.07 -0.04 0.00 -2.27 0.00 0.00 64.05 60.80 2qbe n THR 30 Cb 0.29 -5.82 -0.04 0.00 -2.10 0.00 0.00 70.33 62.66 2qbe n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qbe n GLY 31 N -1.45 -0.10 3.97 3.38 0.00 -1.00 -2.07 105.19 107.93 2qbe n GLY 31 Ca -0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 2qbe n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qbe n GLY 32 N 4.73 -0.42 0.81 -0.02 0.00 -1.26 -4.88 105.19 104.14 2qbe n GLY 32 Ca 0.13 0.16 0.04 0.00 0.00 0.00 0.00 46.02 46.35 2qbe n GLY 32 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2qbe n ARG 33 N -4.52 0.47 0.00 1.61 1.85 -0.88 -5.14 116.66 110.05 2qbe n ARG 33 Ca -0.04 -1.99 0.00 0.00 -1.00 0.00 0.00 57.85 54.82 2qbe n ARG 33 Cb 0.56 -0.67 0.00 0.00 -1.05 0.00 0.00 32.46 31.30 2qbe n ARG 33 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2qbe n GLY 34 N -0.23 0.73 3.33 2.89 0.00 -1.26 -4.68 105.19 105.97 2qbe n GLY 34 Ca 0.08 -0.85 -0.34 0.00 0.00 0.00 0.00 46.02 44.92 2qbe n GLY 34 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2qbe s HIS 35 N 0.00 2.86 0.04 1.61 3.76 -1.26 -4.85 115.29 117.44 2qbe s HIS 35 Ca 0.00 -0.83 0.00 0.00 -0.15 0.00 0.00 55.06 54.08 2qbe s HIS 35 Cb 0.00 -1.93 0.00 0.00 1.11 0.00 0.00 32.58 31.76 2qbe s HIS 35 CO 0.00 -0.37 0.00 1.63 -0.85 0.00 0.00 174.74 175.15 2qbe n LYS 36 N 4.03 -0.37 0.00 1.40 5.02 -1.26 -5.04 118.16 121.95 2qbe n LYS 36 Ca -0.18 0.24 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 2qbe n LYS 36 Cb 0.52 -0.45 0.00 0.00 -0.02 0.00 0.00 35.03 35.08 2qbe n LYS 36 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qbe n GLY 37 N -0.58 1.39 0.14 0.72 0.00 -1.26 -4.51 105.19 101.09 2qbe n GLY 37 Ca 0.00 -1.96 -0.12 0.00 0.00 0.00 0.00 46.02 43.94 2qbe n GLY 37 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2qbe h GLN 38 N 0.00 0.34 -0.28 1.61 4.15 -1.97 -3.16 115.11 115.80 2qbe h GLN 38 Ca 0.00 -0.38 0.08 0.00 0.77 0.00 0.00 58.65 59.12 2qbe h GLN 38 Cb 0.00 0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.79 2qbe h GLN 38 CO 0.00 1.07 0.37 0.87 -1.93 0.00 0.00 178.83 179.21 2qbe h LYS 39 N 0.18 0.00 -6.91 1.69 1.79 -1.85 -2.91 116.57 108.56 2qbe h LYS 39 Ca -0.07 0.00 -0.47 0.00 -2.18 0.00 0.00 60.65 57.93 2qbe h LYS 39 Cb 1.59 0.00 0.06 0.00 -1.58 0.00 0.00 32.23 32.30 2qbe h LYS 39 CO 0.16 0.00 0.01 -1.54 -1.08 0.00 0.00 179.45 177.00 2qbe s SER 40 N -5.20 4.71 0.03 0.86 1.04 -1.19 -4.57 113.70 109.38 2qbe s SER 40 Ca -0.04 -0.51 0.00 0.00 0.48 0.00 0.00 55.95 55.88 2qbe s SER 40 Cb 0.14 0.01 0.00 0.00 0.10 0.00 0.00 66.02 66.27 2qbe s SER 40 CO 0.49 -1.60 0.00 0.54 0.98 0.00 0.00 173.24 173.65 2qbe n ARG 41 N -2.57 -0.38 -1.50 4.02 1.74 -1.26 -4.23 116.66 112.48 2qbe n ARG 41 Ca 0.14 0.28 -0.42 0.00 -0.77 0.00 0.00 57.85 57.09 2qbe n ARG 41 Cb 0.61 -0.31 0.01 0.00 -1.02 0.00 0.00 32.46 31.75 2qbe n ARG 41 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2qbe n SER 42 N -0.63 -0.21 -0.79 0.55 3.41 -1.26 0.86 113.62 115.55 2qbe n SER 42 Ca 0.00 0.95 -0.10 0.00 -0.26 0.00 0.00 58.87 59.45 2qbe n SER 42 Cb 0.00 -1.19 -0.04 0.00 -0.26 0.00 0.00 64.21 62.72 2qbe n SER 42 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qbe n GLY 43 N 1.60 0.99 3.68 5.00 0.00 -1.26 -4.93 105.19 110.27 2qbe n GLY 43 Ca 0.11 -0.01 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 2qbe n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qbe s GLY 44 N -2.39 2.13 0.00 -0.02 0.00 0.25 -5.00 107.32 102.30 2qbe s GLY 44 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 44.72 44.25 2qbe s GLY 44 CO 0.00 0.80 0.00 0.61 0.00 0.00 0.00 173.10 174.51 2qbe n GLY 45 N 3.80 4.18 3.80 0.20 0.00 -1.10 -4.57 105.19 111.51 2qbe n GLY 45 Ca -0.08 -0.86 -0.29 0.00 0.00 0.00 0.00 46.02 44.79 2qbe n GLY 45 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2qbe s VAL 46 N -1.89 2.16 0.69 1.61 -7.23 -1.26 -5.01 120.40 109.46 2qbe s VAL 46 Ca 0.00 0.05 0.02 0.00 -1.81 0.00 0.00 61.98 60.24 2qbe s VAL 46 Cb 0.00 -2.84 0.13 0.00 0.56 0.00 0.00 36.38 34.24 2qbe s VAL 46 CO 0.00 -0.07 0.94 -2.11 -0.31 0.00 0.00 175.10 173.55 2qbe n ARG 47 N -3.65 0.04 -2.35 4.82 1.85 -1.26 -5.05 116.66 111.07 2qbe n ARG 47 Ca 0.07 -2.75 -0.40 0.00 -1.00 0.00 0.00 57.85 53.77 2qbe n ARG 47 Cb 0.59 -0.57 -0.03 0.00 -1.05 0.00 0.00 32.46 31.40 2qbe n ARG 47 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 2qbe s ARG 48 N -4.96 4.53 0.00 2.89 0.52 -1.26 -3.18 118.95 117.49 2qbe s ARG 48 Ca 0.64 1.95 0.00 0.00 -0.52 0.00 0.00 55.73 57.80 2qbe s ARG 48 Cb -0.04 -3.15 0.00 0.00 0.52 0.00 0.00 34.95 32.28 2qbe s ARG 48 CO 0.42 0.06 0.00 0.41 0.02 0.00 0.00 175.30 176.21 2qbe n GLY 49 N 1.13 2.64 3.74 -3.53 0.00 -1.26 -4.98 105.19 102.93 2qbe n GLY 49 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2qbe n GLY 49 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2qbe s PHE 50 N -0.62 2.91 -0.38 1.61 2.19 -1.19 -4.70 117.98 117.79 2qbe s PHE 50 Ca 0.00 0.84 0.12 0.00 0.33 0.00 0.00 56.93 58.22 2qbe s PHE 50 Cb 0.00 -3.95 0.35 0.00 -1.31 0.00 0.00 43.02 38.11 2qbe s PHE 50 CO 0.00 -3.22 0.79 -0.85 1.83 0.00 0.00 175.22 173.77 2qbe n GLU 51 N 2.56 0.99 0.00 10.12 0.28 -1.26 -4.89 120.64 128.44 2qbe n GLU 51 Ca 0.09 -3.21 0.00 0.00 -0.16 0.00 0.00 57.16 53.88 2qbe n GLU 51 Cb 0.39 -1.60 0.00 0.00 1.43 0.00 0.00 31.44 31.66 2qbe n GLU 51 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2qbe n GLY 52 N 0.26 1.95 0.00 -1.84 0.00 -1.26 -4.06 105.19 100.24 2qbe n GLY 52 Ca 0.22 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.71 2qbe n GLY 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qbe n GLY 53 N 0.00 0.05 3.75 -0.02 0.00 -1.26 -5.15 105.19 102.56 2qbe n GLY 53 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2qbe n GLY 53 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2qbe s GLN 54 N 0.00 2.74 -0.36 1.61 -2.07 -1.26 -4.85 119.66 115.48 2qbe s GLN 54 Ca 0.00 1.72 -0.37 0.00 -1.82 0.00 0.00 55.36 54.89 2qbe s GLN 54 Cb 0.00 -1.91 -0.13 0.00 -1.09 0.00 0.00 33.01 29.88 2qbe s GLN 54 CO 0.00 -1.36 2.14 -0.12 -1.32 0.00 0.00 175.29 174.63 2qbe n MET 55 N -2.02 0.93 -1.33 9.60 0.00 -1.26 -4.72 117.12 118.31 2qbe n MET 55 Ca 0.13 0.26 -0.36 0.00 -0.00 0.00 0.00 57.70 57.73 2qbe n MET 55 Cb 0.50 -2.28 0.08 0.00 0.00 0.00 0.00 33.22 31.52 2qbe n MET 55 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 175.97 173.67 2qbe n PRO 56 N 7.81 0.44 -0.32 2.12 -0.02 -1.26 -4.47 135.00 139.30 2qbe n PRO 56 Ca 0.42 0.20 0.11 0.00 -2.02 0.00 0.00 63.50 62.21 2qbe n PRO 56 Cb 0.18 -2.07 0.32 0.00 -0.02 0.00 0.00 33.50 31.91 2qbe n PRO 56 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2qbe h LEU 57 N -0.27 0.77 -2.08 2.45 5.85 -1.89 0.47 115.31 120.61 2qbe h LEU 57 Ca -0.47 0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.26 2qbe h LEU 57 Cb 1.34 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 42.25 2qbe h LEU 57 CO 0.45 0.37 0.06 0.00 -0.34 0.00 0.00 178.44 178.99 2qbe n TYR 58 N -4.62 0.32 0.08 1.25 0.18 -1.26 -3.05 117.16 110.06 2qbe n TYR 58 Ca 0.19 -0.57 0.00 0.00 1.88 0.00 0.00 57.90 59.41 2qbe n TYR 58 Cb 0.46 -0.30 0.00 0.00 -0.38 0.00 0.00 39.34 39.12 2qbe n TYR 58 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 2qbe n ARG 59 N 0.28 0.00 0.28 -3.48 5.12 0.15 -4.83 116.66 114.18 2qbe n ARG 59 Ca 0.06 0.00 0.13 0.00 -1.93 0.00 0.00 57.85 56.11 2qbe n ARG 59 Cb 0.59 -0.09 0.81 0.00 -1.16 0.00 0.00 32.46 32.61 2qbe n ARG 59 CO 0.00 0.00 0.00 0.07 -1.93 0.00 0.00 177.63 175.77 2qbe h ARG 60 N 0.00 0.00 -6.03 5.56 0.11 -1.21 -3.42 114.38 109.39 2qbe h ARG 60 Ca 0.00 0.00 -0.58 0.00 0.10 0.00 0.00 59.98 59.50 2qbe h ARG 60 Cb 0.08 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.10 2qbe h ARG 60 CO 0.00 0.05 -0.09 -0.51 0.10 0.00 0.00 179.97 179.52 2qbe s LEU 61 N -7.72 4.43 1.22 0.08 1.02 -1.17 -5.08 118.68 111.47 2qbe s LEU 61 Ca -0.04 1.07 -0.17 0.00 0.02 0.00 0.00 54.13 55.00 2qbe s LEU 61 Cb 0.15 -2.78 0.25 0.00 0.02 0.00 0.00 46.19 43.83 2qbe s LEU 61 CO 0.58 0.19 0.62 -2.65 0.02 0.00 0.00 176.35 175.11 2qbe n PRO 62 N 2.41 -2.79 -3.84 1.29 -0.02 -1.26 -4.92 135.00 125.87 2qbe n PRO 62 Ca -0.10 -0.80 -0.30 0.00 -2.02 0.00 0.00 63.50 60.28 2qbe n PRO 62 Cb 0.51 -1.91 -0.14 0.00 -0.02 0.00 0.00 33.50 31.94 2qbe n PRO 62 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 2qbe s LYS 63 N -4.15 1.29 -0.63 -0.52 -2.85 -1.26 -5.03 119.74 106.59 2qbe s LYS 63 Ca 0.62 -1.82 -0.24 0.00 -1.00 0.00 0.00 55.97 53.53 2qbe s LYS 63 Cb -0.17 -2.62 0.05 0.00 -2.06 0.00 0.00 37.83 33.02 2qbe s LYS 63 CO 0.61 -1.05 1.03 -0.59 0.10 0.00 0.00 175.35 175.45 2qbe s PHE 64 N 0.74 2.64 0.00 1.78 -0.12 -1.26 -4.99 117.98 116.77 2qbe s PHE 64 Ca 0.14 -0.18 0.00 0.00 -0.05 0.00 0.00 56.93 56.84 2qbe s PHE 64 Cb -0.21 -4.29 0.00 0.00 -0.63 0.00 0.00 43.02 37.89 2qbe s PHE 64 CO -0.09 -1.61 0.00 0.41 -0.05 0.00 0.00 175.22 173.88 2qbe n GLY 65 N 5.24 2.16 0.71 1.99 0.00 -1.26 -5.08 105.19 108.95 2qbe n GLY 65 Ca 0.00 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.12 2qbe n GLY 65 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2qbe n PHE 66 N 0.00 0.00 -4.10 1.61 7.35 -1.26 -5.08 117.46 115.99 2qbe n PHE 66 Ca 0.00 0.00 -0.35 0.00 -0.76 0.00 0.00 57.45 56.34 2qbe n PHE 66 Cb 0.00 -1.01 -0.10 0.00 0.35 0.00 0.00 39.48 38.72 2qbe n PHE 66 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2qbe s THR 67 N 0.00 4.67 0.16 -2.13 -4.23 -1.26 -5.02 115.64 107.83 2qbe s THR 67 Ca 0.00 -0.08 -0.09 0.00 -1.18 0.00 0.00 61.69 60.33 2qbe s THR 67 Cb 0.00 -3.07 0.20 0.00 1.34 0.00 0.00 72.50 70.97 2qbe s THR 67 CO 0.00 0.50 0.99 -1.54 -0.54 0.00 0.00 174.62 174.02 2qbe n SER 68 N 3.21 -0.35 -1.51 3.99 3.41 -1.26 -4.75 113.62 116.36 2qbe n SER 68 Ca -0.17 1.10 -0.19 0.00 -0.26 0.00 0.00 58.87 59.35 2qbe n SER 68 Cb 0.53 -0.28 -0.07 0.00 -0.26 0.00 0.00 64.21 64.12 2qbe n SER 68 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2qbe n ARG 69 N -4.97 -1.33 0.00 4.33 0.00 -1.26 -4.54 116.66 108.89 2qbe n ARG 69 Ca 0.08 1.14 0.00 0.00 -0.00 0.00 0.00 57.85 59.07 2qbe n ARG 69 Cb 0.27 -5.47 0.00 0.00 0.00 0.00 0.00 32.46 27.27 2qbe n ARG 69 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 2qbe n LYS 70 N -2.48 0.00 0.25 -0.14 4.81 -1.26 -4.83 118.16 114.50 2qbe n LYS 70 Ca -0.19 0.00 0.15 0.00 -0.87 0.00 0.00 58.31 57.39 2qbe n LYS 70 Cb 0.62 -0.14 0.78 0.00 0.02 0.00 0.00 35.03 36.32 2qbe n LYS 70 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2qbe h ALA 71 N 0.00 1.10 0.00 3.14 0.00 -1.91 0.42 119.26 122.01 2qbe h ALA 71 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 2qbe h ALA 71 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2qbe h ALA 71 CO 0.00 -0.10 -0.37 0.00 0.00 0.00 0.00 179.25 178.78 2qbe h ALA 72 N 1.74 1.20 -0.49 0.00 0.00 -1.93 -2.44 119.26 117.34 2qbe h ALA 72 Ca 0.00 -0.34 -0.14 0.00 0.00 0.00 0.00 54.91 54.43 2qbe h ALA 72 Cb 0.23 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 17.88 2qbe h ALA 72 CO 0.00 0.47 0.10 0.44 0.00 0.00 0.00 179.25 180.26 2qbe n ILE 73 N -3.83 2.63 -3.96 0.00 -5.35 0.15 -4.85 119.36 104.15 2qbe n ILE 73 Ca -0.01 -1.98 -0.31 0.00 -0.27 0.00 0.00 62.75 60.18 2qbe n ILE 73 Cb 0.44 -0.32 -0.15 0.00 -1.74 0.00 0.00 39.64 37.87 2qbe n ILE 73 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 2qbe s THR 74 N -3.00 1.71 0.83 7.28 2.01 -0.92 -0.41 115.64 123.14 2qbe s THR 74 Ca 0.48 -1.47 -0.11 0.00 0.31 0.00 0.00 61.69 60.90 2qbe s THR 74 Cb 0.40 -2.00 0.19 0.00 0.01 0.00 0.00 72.50 71.09 2qbe s THR 74 CO 0.09 -0.20 1.14 0.00 -0.69 0.00 0.00 174.62 174.96 2qbe n ALA 75 N 4.58 -0.95 -3.50 7.40 0.00 0.80 -4.92 120.51 123.93 2qbe n ALA 75 Ca -0.09 -1.66 -0.29 0.00 0.00 0.00 0.00 53.44 51.40 2qbe n ALA 75 Cb 0.43 0.03 -0.13 0.00 0.00 0.00 0.00 19.45 19.78 2qbe n ALA 75 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2qbe s GLU 76 N -5.45 0.44 0.58 0.00 2.12 -1.26 -3.50 118.70 111.63 2qbe s GLU 76 Ca 0.67 -1.06 -0.16 0.00 0.36 0.00 0.00 54.97 54.78 2qbe s GLU 76 Cb -0.02 -1.27 -0.04 0.00 0.26 0.00 0.00 34.13 33.05 2qbe s GLU 76 CO 0.46 -1.14 1.06 0.42 -0.54 0.00 0.00 175.26 175.52 2qbe s ILE 77 N 1.42 3.74 0.19 -3.70 1.01 0.70 -4.93 121.20 119.63 2qbe s ILE 77 Ca 0.15 0.86 0.08 0.00 0.00 0.00 0.00 60.65 61.74 2qbe s ILE 77 Cb -0.21 -3.37 -0.04 0.00 0.01 0.00 0.00 42.46 38.85 2qbe s ILE 77 CO -0.12 -0.44 -0.16 0.00 0.00 0.00 0.00 174.94 174.22 2qbe s ARG 78 N -3.93 1.32 0.65 2.79 1.70 -1.09 -3.67 118.95 116.71 2qbe s ARG 78 Ca 0.65 -1.53 0.42 0.00 -0.47 0.00 0.00 55.73 54.80 2qbe s ARG 78 Cb -0.17 -1.21 2.25 0.00 -0.57 0.00 0.00 34.95 35.26 2qbe s ARG 78 CO 0.35 0.22 2.32 -0.07 -1.08 0.00 0.00 175.30 177.03 2qbe h LEU 79 N 2.79 0.00 -1.89 -1.89 3.38 -1.60 0.98 115.31 117.08 2qbe h LEU 79 Ca -0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.58 2qbe h LEU 79 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 2qbe h LEU 79 CO 0.58 0.00 0.00 0.77 0.09 0.00 0.00 178.44 179.88 2qbe h SER 80 N 0.00 0.00 -0.45 -0.43 4.64 -1.88 -3.32 113.55 112.10 2qbe h SER 80 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2qbe h SER 80 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 2qbe h SER 80 CO 0.00 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.43 2qbe n ASP 81 N -2.92 0.00 0.00 4.97 8.00 0.34 -4.54 116.55 122.40 2qbe n ASP 81 Ca -0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.49 2qbe n ASP 81 Cb 0.20 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.30 2qbe n ASP 81 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2qbe n LEU 82 N 0.00 0.00 -0.13 0.64 4.32 -1.26 -4.42 117.00 116.14 2qbe n LEU 82 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 2qbe n LEU 82 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 2qbe n LEU 82 CO 0.00 0.00 0.15 0.00 -1.22 0.00 0.00 177.39 176.32 2qbe n ALA 83 N 0.00 1.75 -1.46 -1.18 0.00 -1.26 -0.63 120.51 117.73 2qbe n ALA 83 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2qbe n ALA 83 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 2qbe n ALA 83 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2qbe n LYS 84 N -0.28 0.00 -0.13 0.00 2.85 -1.26 -4.87 118.16 114.47 2qbe n LYS 84 Ca 0.00 -0.44 -0.01 0.00 -1.05 0.00 0.00 58.31 56.82 2qbe n LYS 84 Cb 0.02 -0.35 0.00 0.00 -0.65 0.00 0.00 35.03 34.05 2qbe n LYS 84 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 177.40 178.90 2qbe n VAL 85 N 0.00 1.25 -3.18 0.58 3.14 0.20 -4.84 118.33 115.48 2qbe n VAL 85 Ca 0.00 -0.15 -0.23 0.00 -2.96 0.00 0.00 64.34 61.00 2qbe n VAL 85 Cb 0.53 -1.08 0.02 0.00 -1.06 0.00 0.00 33.84 32.25 2qbe n VAL 85 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 2qbe n GLU 86 N 0.65 -2.14 0.00 1.45 4.07 -1.26 -4.68 120.64 118.73 2qbe n GLU 86 Ca 0.02 1.77 0.00 0.00 -0.06 0.00 0.00 57.16 58.89 2qbe n GLU 86 Cb 0.53 -3.77 0.00 0.00 -0.06 0.00 0.00 31.44 28.13 2qbe n GLU 86 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2qbe n GLY 87 N -0.16 -0.93 0.00 8.31 0.00 -1.26 -4.92 105.19 106.22 2qbe n GLY 87 Ca 0.01 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.80 2qbe n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qbe n GLY 88 N 0.00 0.65 2.63 -0.02 0.00 -1.26 -4.85 105.19 102.34 2qbe n GLY 88 Ca 0.00 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.39 2qbe n GLY 88 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2qbe n VAL 89 N 0.00 -1.06 -2.12 1.61 3.14 -1.22 -4.76 118.33 113.92 2qbe n VAL 89 Ca 0.00 0.11 -0.42 0.00 -2.96 0.00 0.00 64.34 61.07 2qbe n VAL 89 Cb 0.00 -2.21 0.00 0.00 -1.06 0.00 0.00 33.84 30.57 2qbe n VAL 89 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 2qbe n VAL 90 N 1.99 3.93 -1.22 1.55 0.31 -0.11 -4.80 118.33 119.98 2qbe n VAL 90 Ca 0.00 -3.79 -0.36 0.00 -0.01 0.00 0.00 64.34 60.18 2qbe n VAL 90 Cb 0.11 -2.47 0.07 0.00 -0.91 0.00 0.00 33.84 30.64 2qbe n VAL 90 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2qbe n ASP 91 N 5.20 -1.55 -0.34 4.52 -0.08 -1.26 -0.46 116.55 122.58 2qbe n ASP 91 Ca 0.45 0.56 0.23 0.00 -1.51 0.00 0.00 54.79 54.52 2qbe n ASP 91 Cb 0.38 -1.18 0.46 0.00 2.34 0.00 0.00 41.12 43.13 2qbe n ASP 91 CO 0.00 0.00 0.00 0.17 0.12 0.00 0.00 177.20 177.49 2qbe h LEU 92 N -0.46 0.54 0.00 -2.67 -0.00 -1.03 -3.37 115.31 108.31 2qbe h LEU 92 Ca -0.45 0.16 0.00 0.00 -0.00 0.00 0.00 57.88 57.59 2qbe h LEU 92 Cb 1.35 0.09 0.00 0.00 -0.00 0.00 0.00 40.66 42.10 2qbe h LEU 92 CO 0.41 -0.04 0.00 -0.46 -0.00 0.00 0.00 178.44 178.35 2qbe n ASN 93 N -4.93 0.00 0.00 0.17 6.94 -1.26 -4.74 115.26 111.44 2qbe n ASN 93 Ca 0.30 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.86 2qbe n ASN 93 Cb 0.93 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.35 2qbe n ASN 93 CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 177.26 176.64 2qbe n THR 94 N 0.00 0.00 -0.43 5.53 -1.04 -1.26 -3.75 114.28 113.32 2qbe n THR 94 Ca 0.00 0.00 0.36 0.00 -2.04 0.00 0.00 64.05 62.37 2qbe n THR 94 Cb 0.00 0.00 0.64 0.00 -1.82 0.00 0.00 70.33 69.15 2qbe n THR 94 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2qbe h LEU 95 N 0.00 0.26 0.70 -4.42 3.38 -1.85 1.41 115.31 114.78 2qbe h LEU 95 Ca 0.00 0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 2qbe h LEU 95 Cb 0.00 0.14 0.01 0.00 0.09 0.00 0.00 40.66 40.89 2qbe h LEU 95 CO 0.00 -0.20 -0.34 0.11 0.09 0.00 0.00 178.44 178.11 2qbe h LYS 96 N 0.09 -0.91 -0.11 1.13 1.57 -1.88 -1.44 116.57 115.02 2qbe h LYS 96 Ca 0.82 0.06 0.03 0.00 -1.87 0.00 0.00 60.65 59.69 2qbe h LYS 96 Cb 2.53 0.21 -0.00 0.00 0.08 0.00 0.00 32.23 35.04 2qbe h LYS 96 CO -0.45 -0.60 0.08 0.00 -0.57 0.00 0.00 179.45 177.92 2qbe h ALA 97 N -0.67 2.01 0.00 3.86 0.00 0.11 0.80 119.26 125.37 2qbe h ALA 97 Ca -0.10 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2qbe h ALA 97 Cb 0.73 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2qbe h ALA 97 CO 0.16 -0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.27 2qbe n ALA 98 N -2.51 2.35 -3.41 0.00 0.00 0.31 -4.89 120.51 112.36 2qbe n ALA 98 Ca -0.00 -0.07 -0.17 0.00 0.00 0.00 0.00 53.44 53.19 2qbe n ALA 98 Cb 0.20 -1.19 0.03 0.00 0.00 0.00 0.00 19.45 18.49 2qbe n ALA 98 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2qbe n ASN 99 N -0.73 -6.32 -1.61 0.00 5.03 0.28 -4.94 115.26 106.97 2qbe n ASN 99 Ca 0.09 -0.66 -0.03 0.00 0.87 0.00 0.00 54.58 54.86 2qbe n ASN 99 Cb 0.04 -4.13 0.03 0.00 -1.02 0.00 0.00 39.78 34.70 2qbe n ASN 99 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2qbe n ILE 100 N -3.02 0.00 0.00 2.41 3.06 -0.81 -5.03 119.36 115.97 2qbe n ILE 100 Ca -0.09 -0.35 0.00 0.00 -2.50 0.00 0.00 62.75 59.81 2qbe n ILE 100 Cb 0.58 0.59 0.00 0.00 0.54 0.00 0.00 39.64 41.35 2qbe n ILE 100 CO 0.00 0.00 0.00 -0.38 -2.50 0.00 0.00 176.55 173.67 2qbe n ILE 101 N -0.54 0.00 0.00 9.51 2.08 -1.26 -4.83 119.36 124.32 2qbe n ILE 101 Ca -0.14 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.17 2qbe n ILE 101 Cb 0.64 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.53 2qbe n ILE 101 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2qbe n GLY 102 N -0.30 3.72 0.37 7.39 0.00 -1.26 -4.77 105.19 110.35 2qbe n GLY 102 Ca 0.00 -0.78 0.15 0.00 0.00 0.00 0.00 46.02 45.39 2qbe n GLY 102 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2qbe h ILE 103 N 0.00 0.09 0.04 -0.61 5.03 -2.00 -0.16 117.51 119.90 2qbe h ILE 103 Ca 0.00 0.00 -0.31 0.00 -0.12 0.00 0.00 64.86 64.43 2qbe h ILE 103 Cb 0.00 0.47 -0.04 0.00 -3.03 0.00 0.00 36.82 34.22 2qbe h ILE 103 CO 0.00 0.00 -1.74 1.56 -0.68 0.00 0.00 178.15 177.29 2qbe h GLN 104 N 0.00 0.09 -6.20 2.37 1.08 -1.98 -3.48 115.11 106.99 2qbe h GLN 104 Ca 0.10 -0.15 -0.60 0.00 -1.45 0.00 0.00 58.65 56.55 2qbe h GLN 104 Cb 1.25 0.05 0.17 0.00 -0.05 0.00 0.00 27.48 28.90 2qbe h GLN 104 CO -0.00 0.74 -0.77 -0.89 -0.95 0.00 0.00 178.83 176.96 2qbe n ILE 105 N -3.20 1.05 0.00 2.54 2.08 -0.07 -4.90 119.36 116.86 2qbe n ILE 105 Ca -0.20 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 62.61 2qbe n ILE 105 Cb 1.05 -0.29 0.00 0.00 -0.75 0.00 0.00 39.64 39.65 2qbe n ILE 105 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 2qbe n GLU 106 N 0.88 3.22 -3.90 0.38 1.02 0.45 -5.01 120.64 117.68 2qbe n GLU 106 Ca 0.10 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.14 2qbe n GLU 106 Cb 0.45 -0.39 -0.09 0.00 -0.02 0.00 0.00 31.44 31.39 2qbe n GLU 106 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2qbe s PHE 107 N -0.37 0.14 -0.16 -0.32 0.08 -1.09 -5.05 117.98 111.20 2qbe s PHE 107 Ca 0.00 -0.39 -0.30 0.00 0.12 0.00 0.00 56.93 56.36 2qbe s PHE 107 Cb 0.00 -0.10 0.13 0.00 -0.57 0.00 0.00 43.02 42.49 2qbe s PHE 107 CO 0.00 -0.37 1.05 0.00 -0.10 0.00 0.00 175.22 175.80 2qbe s ALA 108 N -2.42 -1.96 0.39 5.36 0.00 -1.26 -0.14 121.76 121.73 2qbe s ALA 108 Ca -0.06 1.57 0.08 0.00 0.00 0.00 0.00 51.96 53.54 2qbe s ALA 108 Cb -0.02 -0.66 -0.04 0.00 0.00 0.00 0.00 23.12 22.40 2qbe s ALA 108 CO -0.03 -0.36 0.25 0.15 0.00 0.00 0.00 175.76 175.77 2qbe s LYS 109 N -1.40 2.43 -0.19 0.00 -0.14 -1.23 -2.80 119.74 116.40 2qbe s LYS 109 Ca 0.01 -1.60 -0.15 0.00 -1.36 0.00 0.00 55.97 52.88 2qbe s LYS 109 Cb -0.01 -2.23 -0.20 0.00 -1.68 0.00 0.00 37.83 33.71 2qbe s LYS 109 CO -0.01 -0.06 0.16 0.28 -0.76 0.00 0.00 175.35 174.96 2qbe n VAL 110 N -1.34 1.61 -1.47 3.17 0.31 -1.07 -0.21 118.33 119.33 2qbe n VAL 110 Ca -0.00 -0.29 0.18 0.00 -0.01 0.00 0.00 64.34 64.21 2qbe n VAL 110 Cb 0.62 -1.89 -0.09 0.00 -0.91 0.00 0.00 33.84 31.57 2qbe n VAL 110 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 2qbe n ILE 111 N -4.05 -0.78 -3.39 2.52 2.08 -1.24 -2.69 119.36 111.81 2qbe n ILE 111 Ca -0.36 0.88 -0.42 0.00 0.56 0.00 0.00 62.75 63.41 2qbe n ILE 111 Cb 0.84 -1.37 -0.09 0.00 -0.75 0.00 0.00 39.64 38.27 2qbe n ILE 111 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 2qbe s LEU 112 N -7.30 4.66 -0.19 1.39 0.20 -1.26 -3.40 118.68 112.79 2qbe s LEU 112 Ca 0.00 -0.47 0.12 0.00 0.69 0.00 0.00 54.13 54.47 2qbe s LEU 112 Cb 0.00 -2.33 -0.20 0.00 -0.43 0.00 0.00 46.19 43.24 2qbe s LEU 112 CO 0.00 -0.43 -0.02 0.00 -0.29 0.00 0.00 176.35 175.61 2qbe n ALA 113 N 5.42 1.55 0.00 5.97 0.00 -1.26 -4.79 120.51 127.40 2qbe n ALA 113 Ca -0.09 -1.11 0.00 0.00 0.00 0.00 0.00 53.44 52.24 2qbe n ALA 113 Cb 0.48 -0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.84 2qbe n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qbe n GLY 114 N 2.06 1.95 3.54 0.00 0.00 -1.26 -4.84 105.19 106.63 2qbe n GLY 114 Ca -0.32 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.60 2qbe n GLY 114 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qbe s GLU 115 N -0.03 1.53 0.00 1.61 8.01 -1.26 -4.96 118.70 123.59 2qbe s GLU 115 Ca 0.00 -1.32 0.00 0.00 0.01 0.00 0.00 54.97 53.66 2qbe s GLU 115 Cb 0.00 0.45 0.00 0.00 -4.31 0.00 0.00 34.13 30.27 2qbe s GLU 115 CO 0.00 -0.62 0.00 1.55 0.01 0.00 0.00 175.26 176.20 2qbe n VAL 116 N -0.38 0.00 0.00 2.63 3.14 -1.25 -4.53 118.33 117.95 2qbe n VAL 116 Ca -0.01 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.37 2qbe n VAL 116 Cb 0.62 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.40 2qbe n VAL 116 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 2qbe n THR 117 N 0.00 0.00 -1.77 1.55 -1.04 -1.26 -4.69 114.28 107.07 2qbe n THR 117 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.59 2qbe n THR 117 Cb 0.00 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.49 2qbe n THR 117 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 2qbe s THR 118 N 0.00 2.12 -0.25 12.58 -1.32 -1.26 -4.73 115.64 122.77 2qbe s THR 118 Ca 0.00 0.09 -0.28 0.00 -1.21 0.00 0.00 61.69 60.29 2qbe s THR 118 Cb 0.00 -3.06 -0.05 0.00 -1.51 0.00 0.00 72.50 67.88 2qbe s THR 118 CO 0.00 0.01 2.21 -2.84 -2.21 0.00 0.00 174.62 171.79 2qbe s PRO 119 N 0.53 3.05 0.10 7.08 0.02 -1.10 -4.92 135.00 139.76 2qbe s PRO 119 Ca 0.70 1.93 0.07 0.00 0.02 0.00 0.00 61.00 63.72 2qbe s PRO 119 Cb -0.48 -4.38 -0.03 0.00 0.02 0.00 0.00 34.50 29.62 2qbe s PRO 119 CO 0.38 -2.20 -0.19 0.08 -0.33 0.00 0.00 177.00 174.74 2qbe s VAL 120 N 8.57 1.54 -0.28 3.83 1.01 -1.26 -4.88 120.40 128.93 2qbe s VAL 120 Ca 0.99 -1.51 0.02 0.00 0.00 0.00 0.00 61.98 61.48 2qbe s VAL 120 Cb -0.31 -1.44 0.07 0.00 0.00 0.00 0.00 36.38 34.71 2qbe s VAL 120 CO 0.34 -0.14 -0.03 0.42 0.00 0.00 0.00 175.10 175.69 2qbe s THR 121 N -1.29 1.87 0.29 3.92 -4.23 -1.26 -2.66 115.64 112.27 2qbe s THR 121 Ca 0.05 -1.66 -0.29 0.00 -1.18 0.00 0.00 61.69 58.61 2qbe s THR 121 Cb -0.09 -2.17 -0.10 0.00 1.34 0.00 0.00 72.50 71.48 2qbe s THR 121 CO 0.04 -0.25 1.35 0.68 -0.54 0.00 0.00 174.62 175.89 2qbe s VAL 122 N 1.19 2.77 0.01 2.29 -7.23 -0.96 -0.94 120.40 117.53 2qbe s VAL 122 Ca -0.01 0.71 0.08 0.00 -1.81 0.00 0.00 61.98 60.95 2qbe s VAL 122 Cb -0.19 -3.45 -0.02 0.00 0.56 0.00 0.00 36.38 33.27 2qbe s VAL 122 CO -0.08 0.15 -0.23 -0.13 -0.31 0.00 0.00 175.10 174.49 2qbe s ARG 123 N -1.15 1.78 -1.44 4.82 1.81 0.39 -2.12 118.95 123.06 2qbe s ARG 123 Ca 0.53 -0.91 -0.03 0.00 -1.72 0.00 0.00 55.73 53.60 2qbe s ARG 123 Cb -0.40 -1.80 0.03 0.00 -0.45 0.00 0.00 34.95 32.33 2qbe s ARG 123 CO 0.48 0.48 0.56 0.41 -0.68 0.00 0.00 175.30 176.55 2qbe n GLY 124 N 2.25 -0.28 3.50 -3.53 0.00 -1.26 -0.67 105.19 105.19 2qbe n GLY 124 Ca -0.16 0.15 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 2qbe n GLY 124 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qbe s LEU 125 N -6.98 0.90 0.39 0.99 1.43 -1.26 -4.01 118.68 110.15 2qbe s LEU 125 Ca 0.15 -1.40 0.08 0.00 -1.03 0.00 0.00 54.13 51.93 2qbe s LEU 125 Cb -0.08 1.49 -0.04 0.00 0.03 0.00 0.00 46.19 47.59 2qbe s LEU 125 CO 0.87 -1.26 0.22 -0.13 0.23 0.00 0.00 176.35 176.28 2qbe s ARG 126 N -3.22 2.35 -0.24 1.70 0.52 -1.12 -3.96 118.95 114.97 2qbe s ARG 126 Ca 0.29 -1.69 -0.27 0.00 -0.52 0.00 0.00 55.73 53.55 2qbe s ARG 126 Cb -0.00 -2.14 0.12 0.00 0.52 0.00 0.00 34.95 33.45 2qbe s ARG 126 CO 0.18 -0.08 1.02 0.54 0.02 0.00 0.00 175.30 176.98 2qbe s VAL 127 N -2.52 0.00 0.99 3.52 0.11 -1.26 -2.59 120.40 118.64 2qbe s VAL 127 Ca 0.42 0.00 -0.11 0.00 -2.93 0.00 0.00 61.98 59.36 2qbe s VAL 127 Cb 0.00 -1.00 0.18 0.00 -1.53 0.00 0.00 36.38 34.04 2qbe s VAL 127 CO 0.24 0.00 1.09 0.42 -3.33 0.00 0.00 175.10 173.52 2qbe s THR 128 N -0.18 2.25 -1.20 5.04 -4.23 -1.26 -4.75 115.64 111.31 2qbe s THR 128 Ca 0.02 0.08 0.27 0.00 -1.18 0.00 0.00 61.69 60.88 2qbe s THR 128 Cb -0.04 -2.25 0.35 0.00 1.34 0.00 0.00 72.50 71.90 2qbe s THR 128 CO -0.04 -0.11 1.91 2.29 -0.54 0.00 0.00 174.62 178.14 2qbe n LYS 129 N -4.35 0.18 0.03 3.99 2.85 -1.26 -0.95 118.16 118.66 2qbe n LYS 129 Ca 0.08 0.03 0.11 0.00 -1.05 0.00 0.00 58.31 57.48 2qbe n LYS 129 Cb 0.54 -1.50 -0.10 0.00 -0.65 0.00 0.00 35.03 33.31 2qbe n LYS 129 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2qbe n GLY 130 N 1.20 -1.17 0.08 2.58 0.00 -1.26 -4.19 105.19 102.42 2qbe n GLY 130 Ca 0.10 -0.41 -0.05 0.00 0.00 0.00 0.00 46.02 45.65 2qbe n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qbe n ALA 131 N -2.22 1.77 0.97 4.61 0.00 -1.07 -3.98 120.51 120.58 2qbe n ALA 131 Ca -0.02 -1.02 0.00 0.00 0.00 0.00 0.00 53.44 52.40 2qbe n ALA 131 Cb 0.56 -0.47 0.00 0.00 0.00 0.00 0.00 19.45 19.53 2qbe n ALA 131 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2qbe n ARG 132 N -2.73 0.81 0.00 0.00 1.85 -0.12 -2.28 116.66 114.18 2qbe n ARG 132 Ca -0.23 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.62 2qbe n ARG 132 Cb 1.01 -1.33 0.00 0.00 -1.05 0.00 0.00 32.46 31.09 2qbe n ARG 132 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2qbe n ALA 133 N -0.02 1.84 -0.41 2.89 0.00 -1.26 -4.35 120.51 119.21 2qbe n ALA 133 Ca 0.00 -0.05 0.35 0.00 0.00 0.00 0.00 53.44 53.74 2qbe n ALA 133 Cb 0.16 0.00 0.68 0.00 0.00 0.00 0.00 19.45 20.29 2qbe n ALA 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbe h ALA 134 N -0.60 2.93 0.19 0.00 0.00 -1.70 2.74 119.26 122.81 2qbe h ALA 134 Ca 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2qbe h ALA 134 Cb 0.00 0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2qbe h ALA 134 CO 0.00 -1.38 -0.09 0.97 0.00 0.00 0.00 179.25 178.75 2qbe h ILE 135 N 0.12 0.87 0.00 0.00 2.10 -1.73 -1.76 117.51 117.11 2qbe h ILE 135 Ca 0.68 -0.30 -0.18 0.00 1.08 0.00 0.00 64.86 66.14 2qbe h ILE 135 Cb 2.37 1.05 -0.02 0.00 -1.09 0.00 0.00 36.82 39.13 2qbe h ILE 135 CO -0.17 0.07 -0.84 -0.33 -1.08 0.00 0.00 178.15 175.79 2qbe h GLU 136 N -0.40 0.05 -0.02 2.19 5.08 0.02 0.66 114.58 122.15 2qbe h GLU 136 Ca -0.03 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.28 2qbe h GLU 136 Cb 0.31 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 2qbe h GLU 136 CO 0.04 0.86 0.08 0.00 -1.00 0.00 0.00 179.01 179.00 2qbe h ALA 137 N 1.12 1.23 -0.48 3.43 0.00 0.47 0.64 119.26 125.66 2qbe h ALA 137 Ca -0.02 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 2qbe h ALA 137 Cb 1.48 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.24 2qbe h ALA 137 CO 0.12 -0.09 0.05 0.00 0.00 0.00 0.00 179.25 179.32 2qbe n ALA 138 N -2.11 3.72 -2.22 0.00 0.00 -0.68 -4.90 120.51 114.32 2qbe n ALA 138 Ca -0.02 -2.21 -0.01 0.00 0.00 0.00 0.00 53.44 51.19 2qbe n ALA 138 Cb 0.15 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.63 2qbe n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qbe n GLY 139 N -0.03 0.52 4.02 0.00 0.00 0.22 -2.69 105.19 107.23 2qbe n GLY 139 Ca 0.28 -0.76 -0.19 0.00 0.00 0.00 0.00 46.02 45.35 2qbe n GLY 139 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qbe s GLY 140 N -2.97 1.81 0.03 -0.02 0.00 0.21 -4.24 107.32 102.14 2qbe s GLY 140 Ca 0.01 -2.00 -0.06 0.00 0.00 0.00 0.00 44.72 42.68 2qbe s GLY 140 CO 0.02 -1.64 0.10 1.25 0.00 0.00 0.00 173.10 172.82 2qbe s LYS 141 N -4.57 0.57 -0.07 2.90 2.20 -1.09 -4.24 119.74 115.44 2qbe s LYS 141 Ca 0.59 -0.70 0.01 0.00 -0.36 0.00 0.00 55.97 55.51 2qbe s LYS 141 Cb -0.07 0.22 -0.03 0.00 -1.51 0.00 0.00 37.83 36.45 2qbe s LYS 141 CO 0.37 -0.14 -0.07 0.42 -0.36 0.00 0.00 175.35 175.57 2qbe s ILE 142 N -2.40 3.66 0.00 5.43 1.09 -1.26 -2.27 121.20 125.44 2qbe s ILE 142 Ca -0.07 -0.49 0.00 0.00 -1.10 0.00 0.00 60.65 58.99 2qbe s ILE 142 Cb -0.02 -2.49 0.00 0.00 -1.06 0.00 0.00 42.46 38.88 2qbe s ILE 142 CO -0.04 0.59 0.05 -1.84 -0.10 0.00 0.00 174.94 173.61 2qbe n GLU 143 N 2.28 0.00 -0.42 2.79 0.00 -0.90 -4.99 120.64 119.40 2qbe n GLU 143 Ca -0.18 0.23 0.00 0.00 0.00 0.00 0.00 57.16 57.21 2qbe n GLU 143 Cb 0.53 -0.76 0.00 0.00 0.00 0.00 0.00 31.44 31.20 2qbe n GLU 143 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22