#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qit n PHE 6 N 0.00 0.00 -0.34 1.12 3.72 -1.26 -4.59 117.46 116.11 1qit n PHE 6 Ca 0.00 0.00 0.21 0.00 -0.05 0.00 0.00 57.45 57.61 1qit n PHE 6 Cb 0.00 0.00 0.45 0.00 -0.94 0.00 0.00 39.48 38.99 1qit n PHE 6 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1qit h GLU 7 N 2.63 0.43 -0.65 -1.08 3.07 -2.12 -2.12 114.58 114.73 1qit h GLU 7 Ca 0.00 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 1qit h GLU 7 Cb 0.78 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.59 1qit h GLU 7 CO 0.00 0.29 0.00 0.09 -1.40 0.00 0.00 179.01 177.99 1qit n ASN 8 N -4.87 3.84 -4.71 1.42 3.02 -1.26 -4.96 115.26 107.74 1qit n ASN 8 Ca 0.29 -2.00 -0.42 0.00 -0.03 0.00 0.00 54.58 52.42 1qit n ASN 8 Cb 0.88 -0.43 -0.03 0.00 -0.61 0.00 0.00 39.78 39.58 1qit n ASN 8 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1qit s ILE 9 N -1.11 3.36 0.03 2.41 1.01 -0.80 -4.98 121.20 121.13 1qit s ILE 9 Ca 0.46 0.96 -0.10 0.00 0.00 0.00 0.00 60.65 61.97 1qit s ILE 9 Cb 0.25 -3.62 -0.05 0.00 0.01 0.00 0.00 42.46 39.05 1qit s ILE 9 CO 0.33 0.07 0.36 0.28 0.00 0.00 0.00 174.94 175.97 1qit s THR 10 N 1.25 5.14 0.38 2.92 -1.32 -1.26 -5.04 115.64 117.71 1qit s THR 10 Ca 0.64 0.48 -0.28 0.00 -1.21 0.00 0.00 61.69 61.33 1qit s THR 10 Cb -0.36 -3.63 -0.11 0.00 -1.51 0.00 0.00 72.50 66.89 1qit s THR 10 CO 0.30 0.40 1.50 0.00 -2.21 0.00 0.00 174.62 174.60 1qit s ALA 11 N -1.28 3.57 0.47 11.08 0.00 -1.26 -4.99 121.76 129.36 1qit s ALA 11 Ca 0.28 1.59 -0.19 0.00 0.00 0.00 0.00 51.96 53.64 1qit s ALA 11 Cb -0.14 -3.62 -0.09 0.00 0.00 0.00 0.00 23.12 19.27 1qit s ALA 11 CO 0.16 -1.08 0.98 0.00 0.00 0.00 0.00 175.76 175.81 1qit s ALA 12 N -1.12 3.00 0.55 0.00 0.00 -1.26 -5.04 121.76 117.90 1qit s ALA 12 Ca 0.53 0.38 -0.18 0.00 0.00 0.00 0.00 51.96 52.69 1qit s ALA 12 Cb -0.47 -3.16 -0.05 0.00 0.00 0.00 0.00 23.12 19.44 1qit s ALA 12 CO 0.64 -0.08 1.07 -1.25 0.00 0.00 0.00 175.76 176.14 1qit s PRO 13 N -3.46 3.43 0.50 0.00 0.04 -1.26 -4.99 135.00 129.26 1qit s PRO 13 Ca 0.62 1.37 -0.22 0.00 0.04 0.00 0.00 61.00 62.81 1qit s PRO 13 Cb -0.11 -2.04 -0.06 0.00 0.04 0.00 0.00 34.50 32.33 1qit s PRO 13 CO 0.20 -0.74 1.18 0.00 0.04 0.00 0.00 177.00 177.68 1qit s ALA 14 N -2.13 2.86 0.11 8.56 0.00 -1.26 -4.93 121.76 124.97 1qit s ALA 14 Ca 0.67 0.95 -0.31 0.00 0.00 0.00 0.00 51.96 53.28 1qit s ALA 14 Cb -0.18 -3.40 -0.09 0.00 0.00 0.00 0.00 23.12 19.45 1qit s ALA 14 CO 0.29 -0.79 1.55 0.34 0.00 0.00 0.00 175.76 177.16 1qit s ASP 15 N -1.43 6.66 0.61 0.00 2.15 -1.26 -4.88 116.67 118.52 1qit s ASP 15 Ca 0.67 2.48 0.32 0.00 0.43 0.00 0.00 52.55 56.45 1qit s ASP 15 Cb -0.29 -2.58 1.85 0.00 -0.30 0.00 0.00 42.92 41.60 1qit s ASP 15 CO 0.34 -0.81 2.18 1.55 -0.17 0.00 0.00 175.17 178.26 1qit h PRO 16 N 7.41 0.00 0.00 4.34 0.13 -1.97 -0.59 132.00 141.32 1qit h PRO 16 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1qit h PRO 16 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1qit h PRO 16 CO 0.91 0.00 -0.63 -0.89 -0.23 0.00 0.00 178.00 177.16 1qit n ILE 17 N -3.59 1.31 0.08 -3.56 5.41 -1.26 -4.48 119.36 113.28 1qit n ILE 17 Ca -0.01 0.24 0.01 0.00 1.00 0.00 0.00 62.75 63.99 1qit n ILE 17 Cb 0.22 -2.05 0.35 0.00 -0.71 0.00 0.00 39.64 37.45 1qit n ILE 17 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1qit h LEU 18 N -0.63 0.30 -0.93 1.39 3.38 -1.98 -2.42 115.31 114.43 1qit h LEU 18 Ca 0.00 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1qit h LEU 18 Cb 0.63 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 1qit h LEU 18 CO 0.00 0.45 -0.08 1.23 0.09 0.00 0.00 178.44 180.13 1qit h GLY 19 N 0.79 0.00 1.27 0.83 0.00 -1.38 -2.41 103.07 102.17 1qit h GLY 19 Ca 0.06 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.30 1qit h GLY 19 CO 0.02 0.00 -0.06 -2.00 0.00 0.00 0.00 176.54 174.50 1qit h LEU 20 N 0.00 0.85 -2.20 3.11 5.85 -1.52 -2.00 115.31 119.40 1qit h LEU 20 Ca -0.00 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.46 1qit h LEU 20 Cb 0.74 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.54 1qit h LEU 20 CO 0.01 0.95 -0.06 0.00 -0.34 0.00 0.00 178.44 179.01 1qit h ALA 21 N 1.13 1.43 0.00 1.25 0.00 -1.42 -2.65 119.26 119.00 1qit h ALA 21 Ca 0.14 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 1qit h ALA 21 Cb 0.56 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.35 1qit h ALA 21 CO 0.03 0.07 -0.40 -0.44 0.00 0.00 0.00 179.25 178.51 1qit h ASP 22 N 0.00 0.35 -0.56 0.00 3.32 -1.42 -2.91 116.42 115.21 1qit h ASP 22 Ca -0.00 -0.78 0.03 0.00 0.02 0.00 0.00 57.03 56.29 1qit h ASP 22 Cb 0.16 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.56 1qit h ASP 22 CO 0.01 1.09 0.34 -0.07 -1.72 0.00 0.00 179.24 178.88 1qit h LEU 23 N -0.35 0.55 -1.09 1.55 3.38 -1.36 -0.90 115.31 117.07 1qit h LEU 23 Ca -0.05 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1qit h LEU 23 Cb 1.15 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.76 1qit h LEU 23 CO 0.08 0.38 0.34 0.15 0.09 0.00 0.00 178.44 179.48 1qit h PHE 24 N 0.67 0.97 0.21 1.13 3.57 -1.59 -1.91 116.94 119.98 1qit h PHE 24 Ca 0.22 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 1qit h PHE 24 Cb 0.02 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 38.46 1qit h PHE 24 CO -0.06 0.70 -0.10 0.00 -2.23 0.00 0.00 178.31 176.62 1qit h ARG 25 N 0.98 -0.27 0.00 1.11 2.47 -1.14 -2.48 114.38 115.04 1qit h ARG 25 Ca 0.24 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.98 1qit h ARG 25 Cb 0.09 0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.47 1qit h ARG 25 CO -0.03 -0.08 0.00 0.00 0.56 0.00 0.00 179.97 180.42 1qit n ALA 26 N -2.28 1.76 -2.60 0.04 0.00 -0.42 -4.69 120.51 112.32 1qit n ALA 26 Ca -0.09 -0.06 -0.43 0.00 0.00 0.00 0.00 53.44 52.86 1qit n ALA 26 Cb 0.18 -1.19 -0.03 0.00 0.00 0.00 0.00 19.45 18.41 1qit n ALA 26 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1qit s ASP 27 N -2.41 6.66 0.00 0.00 -1.08 -0.73 -4.91 116.67 114.19 1qit s ASP 27 Ca 0.13 0.50 0.15 0.00 -0.52 0.00 0.00 52.55 52.80 1qit s ASP 27 Cb 0.08 -2.49 0.72 0.00 -1.46 0.00 0.00 42.92 39.77 1qit s ASP 27 CO 0.16 -1.01 1.49 -0.62 0.52 0.00 0.00 175.17 175.72 1qit n GLU 28 N 7.15 1.27 -2.28 4.34 -0.58 -1.26 -4.89 120.64 124.38 1qit n GLU 28 Ca 0.09 -0.41 -0.38 0.00 -0.42 0.00 0.00 57.16 56.03 1qit n GLU 28 Cb 0.48 -1.26 -0.02 0.00 -0.57 0.00 0.00 31.44 30.07 1qit n GLU 28 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1qit s ARG 29 N -1.90 4.07 -0.02 3.49 0.52 -1.26 -4.98 118.95 118.87 1qit s ARG 29 Ca 0.23 1.86 -0.22 0.00 -0.52 0.00 0.00 55.73 57.08 1qit s ARG 29 Cb 0.11 -2.70 -0.25 0.00 0.52 0.00 0.00 34.95 32.64 1qit s ARG 29 CO 0.18 -0.31 1.04 -1.00 0.02 0.00 0.00 175.30 175.23 1qit h PRO 30 N 2.68 0.32 -0.83 3.54 0.13 -2.01 -3.33 132.00 132.49 1qit h PRO 30 Ca -0.49 -0.36 -0.01 0.00 -0.87 0.00 0.00 66.00 64.27 1qit h PRO 30 Cb 1.23 0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.47 1qit h PRO 30 CO 0.63 1.06 0.01 0.41 -0.23 0.00 0.00 178.00 179.88 1qit n GLY 31 N 1.15 2.16 3.76 1.56 0.00 -1.26 -4.96 105.19 107.60 1qit n GLY 31 Ca -0.11 -0.39 -0.39 0.00 0.00 0.00 0.00 46.02 45.14 1qit n GLY 31 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qit s LYS 32 N -1.72 3.57 -0.05 1.61 0.00 -1.25 -4.91 119.74 116.99 1qit s LYS 32 Ca 0.23 2.22 0.05 0.00 0.00 0.00 0.00 55.97 58.47 1qit s LYS 32 Cb 0.17 -2.52 -0.01 0.00 0.00 0.00 0.00 37.83 35.48 1qit s LYS 32 CO 0.07 -0.84 -0.20 0.42 0.00 0.00 0.00 175.35 174.79 1qit s ILE 33 N -1.29 1.67 0.00 3.79 1.01 -0.16 -5.00 121.20 121.22 1qit s ILE 33 Ca 0.64 -0.85 0.00 0.00 0.00 0.00 0.00 60.65 60.44 1qit s ILE 33 Cb -0.40 -1.43 0.00 0.00 0.01 0.00 0.00 42.46 40.65 1qit s ILE 33 CO 0.49 0.47 0.17 -3.20 0.00 0.00 0.00 174.94 172.88 1qit n ASN 34 N 3.11 0.00 0.00 3.58 4.05 -1.26 -0.78 115.26 123.96 1qit n ASN 34 Ca -0.18 0.17 0.00 0.00 0.45 0.00 0.00 54.58 55.02 1qit n ASN 34 Cb 0.53 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.54 1qit n ASN 34 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1qit n LEU 35 N -0.48 0.79 0.00 1.20 4.77 -1.25 -3.52 117.00 118.50 1qit n LEU 35 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1qit n LEU 35 Cb 0.00 -1.37 0.00 0.00 -2.33 0.00 0.00 43.42 39.72 1qit n LEU 35 CO 0.00 -0.48 0.00 0.61 -1.33 0.00 0.00 177.39 176.19 1qit n GLY 36 N -0.91 1.05 3.76 -0.72 0.00 -1.04 -1.04 105.19 106.30 1qit n GLY 36 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1qit n GLY 36 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1qit s ILE 37 N 0.00 2.78 -1.07 -0.61 2.07 -1.26 -4.51 121.20 118.60 1qit s ILE 37 Ca 0.00 0.56 -0.07 0.00 -1.41 0.00 0.00 60.65 59.73 1qit s ILE 37 Cb 0.00 -3.27 -0.06 0.00 0.13 0.00 0.00 42.46 39.26 1qit s ILE 37 CO 0.00 -0.03 2.28 0.61 -1.91 0.00 0.00 174.94 175.89 1qit n GLY 38 N 0.51 3.35 3.30 1.50 0.00 -1.26 -4.86 105.19 107.72 1qit n GLY 38 Ca 0.09 -1.00 -0.32 0.00 0.00 0.00 0.00 46.02 44.79 1qit n GLY 38 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qit s VAL 39 N 3.20 2.48 0.41 1.61 1.01 -1.26 -4.96 120.40 122.90 1qit s VAL 39 Ca 0.46 -0.88 -0.24 0.00 0.00 0.00 0.00 61.98 61.32 1qit s VAL 39 Cb 0.12 -1.98 -0.08 0.00 0.00 0.00 0.00 36.38 34.43 1qit s VAL 39 CO -0.03 0.55 1.13 -0.47 0.00 0.00 0.00 175.10 176.28 1qit s TYR 40 N 0.22 3.08 0.02 5.22 5.04 -1.26 -4.54 117.35 125.13 1qit s TYR 40 Ca -0.12 1.58 0.04 0.00 -2.44 0.00 0.00 57.07 56.13 1qit s TYR 40 Cb -0.16 -3.32 -0.02 0.00 0.35 0.00 0.00 41.96 38.81 1qit s TYR 40 CO 0.07 -1.17 -0.13 0.15 -1.34 0.00 0.00 175.55 173.13 1qit s LYS 41 N -2.44 0.97 0.75 4.97 1.02 -1.03 -4.43 119.74 119.55 1qit s LYS 41 Ca 0.59 -0.61 -0.04 0.00 0.02 0.00 0.00 55.97 55.92 1qit s LYS 41 Cb -0.28 -0.96 0.16 0.00 -0.52 0.00 0.00 37.83 36.23 1qit s LYS 41 CO 0.35 0.25 1.02 -0.40 -0.92 0.00 0.00 175.35 175.65 1qit n ASP 42 N 2.30 0.95 -0.17 2.83 5.68 -0.02 -4.81 116.55 123.33 1qit n ASP 42 Ca -0.16 -1.90 0.29 0.00 -0.50 0.00 0.00 54.79 52.52 1qit n ASP 42 Cb 0.55 -0.70 0.66 0.00 -1.14 0.00 0.00 41.12 40.49 1qit n ASP 42 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1qit h GLU 43 N 0.00 0.00 -0.35 0.11 3.07 -1.92 0.29 114.58 115.79 1qit h GLU 43 Ca -0.34 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.52 1qit h GLU 43 Cb 1.14 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.05 1qit h GLU 43 CO 0.32 0.00 0.00 0.25 -1.40 0.00 0.00 179.01 178.18 1qit n THR 44 N -3.69 0.45 -1.70 1.13 -2.24 -1.26 -4.69 114.28 102.27 1qit n THR 44 Ca 0.20 -0.66 -0.06 0.00 -2.27 0.00 0.00 64.05 61.26 1qit n THR 44 Cb 1.17 0.84 -0.01 0.00 -2.10 0.00 0.00 70.33 70.23 1qit n THR 44 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qit n GLY 45 N 1.43 0.43 3.61 3.38 0.00 0.09 -5.04 105.19 109.08 1qit n GLY 45 Ca 0.19 -0.71 -0.24 0.00 0.00 0.00 0.00 46.02 45.25 1qit n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qit s LYS 46 N -3.51 2.08 -0.63 1.61 1.02 -1.26 -4.86 119.74 114.19 1qit s LYS 46 Ca 0.00 -1.64 0.05 0.00 0.02 0.00 0.00 55.97 54.40 1qit s LYS 46 Cb 0.00 -1.98 0.16 0.00 -0.52 0.00 0.00 37.83 35.48 1qit s LYS 46 CO 0.00 0.25 0.41 0.99 -0.92 0.00 0.00 175.35 176.08 1qit s THR 47 N -2.45 2.64 0.66 2.17 2.01 -1.26 -0.84 115.64 118.57 1qit s THR 47 Ca 0.33 -3.88 -0.12 0.00 0.31 0.00 0.00 61.69 58.33 1qit s THR 47 Cb -0.03 -2.77 -0.01 0.00 0.01 0.00 0.00 72.50 69.70 1qit s THR 47 CO 0.19 -0.95 1.05 -2.16 -0.69 0.00 0.00 174.62 172.06 1qit s PRO 48 N -1.00 3.12 0.08 4.92 0.04 -1.26 -5.01 135.00 135.89 1qit s PRO 48 Ca 0.23 1.00 -0.30 0.00 0.04 0.00 0.00 61.00 61.96 1qit s PRO 48 Cb -0.11 -2.01 -0.05 0.00 0.04 0.00 0.00 34.50 32.36 1qit s PRO 48 CO -0.11 -0.95 1.09 0.08 0.04 0.00 0.00 177.00 177.15 1qit s VAL 49 N -2.90 4.26 0.64 -0.36 1.01 -1.26 -4.99 120.40 116.80 1qit s VAL 49 Ca 0.59 1.71 -0.18 0.00 0.00 0.00 0.00 61.98 64.10 1qit s VAL 49 Cb -0.14 -4.10 -0.01 0.00 0.00 0.00 0.00 36.38 32.13 1qit s VAL 49 CO 0.50 0.18 1.29 0.18 0.00 0.00 0.00 175.10 177.25 1qit n LEU 50 N 3.45 5.97 -0.20 3.92 4.77 -1.26 -4.81 117.00 128.84 1qit n LEU 50 Ca 0.06 0.84 -0.09 0.00 -0.03 0.00 0.00 56.01 56.80 1qit n LEU 50 Cb 0.48 -1.56 0.02 0.00 -2.33 0.00 0.00 43.42 40.03 1qit n LEU 50 CO 0.54 -0.98 0.90 0.74 -1.33 0.00 0.00 177.39 177.25 1qit h THR 51 N 0.60 1.25 -0.59 -5.08 2.02 -1.97 -0.32 112.91 108.82 1qit h THR 51 Ca -0.51 -0.91 -0.00 0.00 0.77 0.00 0.00 66.41 65.76 1qit h THR 51 Cb 1.34 0.76 -0.03 0.00 -1.74 0.00 0.00 68.15 68.48 1qit h THR 51 CO 0.53 0.34 0.36 0.77 0.37 0.00 0.00 175.52 177.89 1qit h SER 52 N 0.81 0.70 -0.14 4.18 4.64 -1.90 -1.09 113.55 120.76 1qit h SER 52 Ca 0.17 -0.03 -0.04 0.00 -0.47 0.00 0.00 61.79 61.42 1qit h SER 52 Cb 0.37 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1qit h SER 52 CO 0.00 0.54 -0.09 0.58 -0.87 0.00 0.00 176.83 177.00 1qit h VAL 53 N 0.82 1.33 -0.81 0.95 2.07 -1.81 -1.69 116.25 117.11 1qit h VAL 53 Ca 0.21 -1.17 0.04 0.00 0.82 0.00 0.00 66.70 66.61 1qit h VAL 53 Cb -0.04 1.81 -0.05 0.00 -1.52 0.00 0.00 31.29 31.49 1qit h VAL 53 CO -0.04 0.34 0.51 0.11 0.02 0.00 0.00 177.57 178.51 1qit h LYS 54 N -0.05 0.95 -0.24 1.57 1.79 -0.69 0.34 116.57 120.24 1qit h LYS 54 Ca 0.03 -0.06 -0.02 0.00 -2.18 0.00 0.00 60.65 58.42 1qit h LYS 54 Cb 0.57 -0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 31.00 1qit h LYS 54 CO 0.02 0.63 0.08 0.87 -1.08 0.00 0.00 179.45 179.97 1qit h LYS 55 N 0.97 0.36 -0.84 3.15 1.57 -1.19 -1.84 116.57 118.76 1qit h LYS 55 Ca 0.33 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 1qit h LYS 55 Cb 0.06 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 1qit h LYS 55 CO -0.13 0.43 0.54 0.00 -0.57 0.00 0.00 179.45 179.72 1qit h ALA 56 N 0.91 1.37 -0.81 3.86 0.00 -0.90 -1.73 119.26 121.96 1qit h ALA 56 Ca 0.08 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1qit h ALA 56 Cb 0.21 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1qit h ALA 56 CO -0.00 0.57 0.40 0.93 0.00 0.00 0.00 179.25 181.15 1qit h GLU 57 N 1.14 1.16 -0.51 0.00 5.08 -0.62 -0.38 114.58 120.45 1qit h GLU 57 Ca 0.30 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 58.46 1qit h GLU 57 Cb -0.10 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 28.92 1qit h GLU 57 CO -0.06 0.89 0.16 1.96 -1.00 0.00 0.00 179.01 180.96 1qit h GLN 58 N 1.14 0.79 -0.59 2.33 1.08 -0.80 -0.77 115.11 118.29 1qit h GLN 58 Ca 0.28 -0.17 0.11 0.00 -1.45 0.00 0.00 58.65 57.43 1qit h GLN 58 Cb 0.10 -0.12 -0.09 0.00 -0.05 0.00 0.00 27.48 27.33 1qit h GLN 58 CO -0.04 0.73 0.09 -0.92 -0.95 0.00 0.00 178.83 177.75 1qit h TYR 59 N 0.70 0.13 -0.57 2.96 3.20 -0.72 -0.51 116.97 122.15 1qit h TYR 59 Ca 0.17 0.04 -0.10 0.00 3.14 0.00 0.00 58.73 61.97 1qit h TYR 59 Cb 0.27 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 1qit h TYR 59 CO 0.01 -0.07 -0.04 -0.07 -1.64 0.00 0.00 178.16 176.35 1qit h LEU 60 N 0.21 1.02 -0.70 2.82 3.38 -0.58 0.13 115.31 121.60 1qit h LEU 60 Ca 0.31 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1qit h LEU 60 Cb 0.47 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1qit h LEU 60 CO -0.43 1.09 0.44 0.25 0.09 0.00 0.00 178.44 179.89 1qit h LEU 61 N 0.94 0.82 -0.20 1.67 5.85 -0.36 0.04 115.31 124.06 1qit h LEU 61 Ca 0.16 -0.04 -0.17 0.00 0.84 0.00 0.00 57.88 58.67 1qit h LEU 61 Cb 0.60 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 1qit h LEU 61 CO 0.04 0.62 -0.81 -0.33 -0.34 0.00 0.00 178.44 177.61 1qit h GLU 62 N 0.95 0.00 0.00 1.25 4.39 -0.94 -3.39 114.58 116.84 1qit h GLU 62 Ca 0.25 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.95 1qit h GLU 62 Cb -0.07 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.58 1qit h GLU 62 CO -0.05 0.81 -1.91 0.09 -1.16 0.00 0.00 179.01 176.79 1qit n ASN 63 N -3.42 0.37 -4.74 1.42 4.13 0.02 -4.97 115.26 108.06 1qit n ASN 63 Ca 0.00 -0.02 -0.41 0.00 1.68 0.00 0.00 54.58 55.83 1qit n ASN 63 Cb 0.82 1.91 -0.03 0.00 -1.54 0.00 0.00 39.78 40.94 1qit n ASN 63 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1qit s GLU 64 N -3.40 4.38 0.00 3.52 2.02 -0.03 -4.91 118.70 120.28 1qit s GLU 64 Ca -0.07 2.08 0.04 0.00 0.02 0.00 0.00 54.97 57.04 1qit s GLU 64 Cb 0.13 -3.18 -0.01 0.00 0.10 0.00 0.00 34.13 31.18 1qit s GLU 64 CO 0.84 -0.25 0.35 0.25 0.02 0.00 0.00 175.26 176.48 1qit n THR 66 N 2.39 0.00 -3.58 3.63 -2.24 -1.26 -5.00 114.28 108.22 1qit n THR 66 Ca 0.05 -0.45 -0.13 0.00 -2.27 0.00 0.00 64.05 61.26 1qit n THR 66 Cb 0.42 1.04 -0.05 0.00 -2.10 0.00 0.00 70.33 69.64 1qit n THR 66 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1qit s THR 67 N -0.93 0.04 -0.14 4.28 -1.32 -1.26 -5.02 115.64 111.28 1qit s THR 67 Ca 0.03 -0.32 0.18 0.00 -1.21 0.00 0.00 61.69 60.37 1qit s THR 67 Cb 0.03 -1.02 0.35 0.00 -1.51 0.00 0.00 72.50 70.35 1qit s THR 67 CO 0.11 -0.18 1.22 0.29 -2.21 0.00 0.00 174.62 173.85 1qit n LYS 68 N 0.19 1.67 -1.68 7.08 4.76 -1.26 -5.07 118.16 123.85 1qit n LYS 68 Ca -0.18 -2.66 -0.39 0.00 -2.87 0.00 0.00 58.31 52.21 1qit n LYS 68 Cb 0.62 -1.58 0.03 0.00 -1.84 0.00 0.00 35.03 32.25 1qit n LYS 68 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1qit n ASN 69 N -1.22 1.94 -4.58 4.39 5.15 -1.26 -4.87 115.26 114.82 1qit n ASN 69 Ca 0.17 0.97 -0.45 0.00 -0.60 0.00 0.00 54.58 54.67 1qit n ASN 69 Cb 0.70 -1.48 -0.02 0.00 -0.53 0.00 0.00 39.78 38.46 1qit n ASN 69 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 1qit n TYR 70 N -0.97 1.15 -1.99 1.20 4.01 -1.26 -5.00 117.16 114.31 1qit n TYR 70 Ca 0.10 0.72 -0.28 0.00 -0.16 0.00 0.00 57.90 58.28 1qit n TYR 70 Cb 0.43 -2.23 0.08 0.00 -0.31 0.00 0.00 39.34 37.31 1qit n TYR 70 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1qit s LEU 71 N 0.65 2.64 0.85 7.72 1.02 -1.26 -5.06 118.68 125.24 1qit s LEU 71 Ca 0.60 0.73 -0.12 0.00 0.02 0.00 0.00 54.13 55.36 1qit s LEU 71 Cb -0.73 -3.30 0.10 0.00 0.02 0.00 0.00 46.19 42.28 1qit s LEU 71 CO 0.59 -1.75 1.11 -0.83 0.02 0.00 0.00 176.35 175.49 1qit s GLY 72 N -4.53 1.60 0.33 -3.19 0.00 -1.26 -4.87 107.32 95.39 1qit s GLY 72 Ca 0.61 -0.32 0.09 0.00 0.00 0.00 0.00 44.72 45.10 1qit s GLY 72 CO 0.48 0.17 1.77 -2.22 0.00 0.00 0.00 173.10 173.30 1qit h ILE 73 N -1.29 0.65 -0.05 0.90 2.04 -1.97 -0.11 117.51 117.67 1qit h ILE 73 Ca -0.49 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.15 1qit h ILE 73 Cb 1.29 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.30 1qit h ILE 73 CO 0.60 0.12 0.00 -0.90 0.00 0.00 0.00 178.15 177.97 1qit n ASP 74 N -4.76 1.09 0.00 1.72 5.75 -1.26 -4.25 116.55 114.84 1qit n ASP 74 Ca 0.24 -1.46 0.00 0.00 -0.01 0.00 0.00 54.79 53.56 1qit n ASP 74 Cb 0.65 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.71 1qit n ASP 74 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1qit n GLY 75 N 1.08 -1.64 3.65 6.12 0.00 -0.06 -0.94 105.19 113.40 1qit n GLY 75 Ca 0.18 -1.55 -0.43 0.00 0.00 0.00 0.00 46.02 44.22 1qit n GLY 75 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qit s ILE 76 N 0.00 4.32 0.23 -0.61 1.01 -1.26 -4.36 121.20 120.53 1qit s ILE 76 Ca 0.00 1.56 -0.06 0.00 0.00 0.00 0.00 60.65 62.15 1qit s ILE 76 Cb 0.00 -4.12 0.21 0.00 0.01 0.00 0.00 42.46 38.56 1qit s ILE 76 CO 0.00 -0.27 1.70 -0.65 0.00 0.00 0.00 174.94 175.73 1qit h PRO 77 N 8.39 0.30 -0.79 2.79 0.11 -1.98 -1.24 132.00 139.58 1qit h PRO 77 Ca -0.25 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.81 1qit h PRO 77 Cb 1.09 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 32.10 1qit h PRO 77 CO 0.99 0.20 0.35 0.93 -0.21 0.00 0.00 178.00 180.27 1qit h GLU 78 N 0.31 1.16 -0.39 1.05 3.07 -1.99 -0.54 114.58 117.25 1qit h GLU 78 Ca 0.39 -0.19 0.02 0.00 -0.50 0.00 0.00 59.36 59.08 1qit h GLU 78 Cb 0.62 -0.20 -0.03 0.00 -0.84 0.00 0.00 28.75 28.31 1qit h GLU 78 CO -0.45 0.91 0.23 0.35 -1.40 0.00 0.00 179.01 178.65 1qit h PHE 79 N 1.14 0.44 -0.64 4.33 3.57 -1.59 0.17 116.94 124.35 1qit h PHE 79 Ca 0.27 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.79 1qit h PHE 79 Cb 0.16 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.73 1qit h PHE 79 CO 0.02 0.26 0.42 0.78 -2.23 0.00 0.00 178.31 177.56 1qit h GLY 80 N 0.47 0.91 0.77 2.40 0.00 -0.74 -1.29 103.07 105.60 1qit h GLY 80 Ca 0.15 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 1qit h GLY 80 CO -0.07 0.33 0.01 3.21 0.00 0.00 0.00 176.54 180.02 1qit h ARG 81 N 0.87 0.11 -0.55 4.80 3.08 -0.78 -2.21 114.38 119.69 1qit h ARG 81 Ca 0.24 -0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.27 1qit h ARG 81 Cb -0.09 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 29.91 1qit h ARG 81 CO -0.05 0.34 0.37 0.00 -1.07 0.00 0.00 179.97 179.55 1qit h THR 83 N 0.71 1.17 -0.82 0.00 2.02 -1.06 -2.01 112.91 112.93 1qit h THR 83 Ca 0.21 -0.52 0.03 0.00 0.77 0.00 0.00 66.41 66.90 1qit h THR 83 Cb -0.02 1.41 -0.04 0.00 -1.74 0.00 0.00 68.15 67.76 1qit h THR 83 CO -0.05 0.15 0.54 1.56 0.37 0.00 0.00 175.52 178.08 1qit h GLN 84 N -0.10 1.00 -0.58 6.66 4.20 -1.13 -0.36 115.11 124.80 1qit h GLN 84 Ca 0.02 -0.06 -0.10 0.00 0.06 0.00 0.00 58.65 58.57 1qit h GLN 84 Cb 0.22 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 27.75 1qit h GLN 84 CO -0.00 0.66 -0.04 0.93 -0.67 0.00 0.00 178.83 179.71 1qit h GLU 85 N 1.03 1.05 -0.54 1.46 5.08 -1.28 0.11 114.58 121.50 1qit h GLU 85 Ca 0.32 -0.35 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 1qit h GLU 85 Cb -0.00 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 1qit h GLU 85 CO -0.09 1.05 0.11 -0.07 -1.00 0.00 0.00 179.01 179.01 1qit h LEU 86 N 0.95 0.84 0.01 1.33 3.38 -0.79 0.23 115.31 121.27 1qit h LEU 86 Ca 0.16 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 1qit h LEU 86 Cb 0.60 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1qit h LEU 86 CO 0.04 0.88 -0.00 -0.07 0.09 0.00 0.00 178.44 179.37 1qit h LEU 87 N 0.78 -0.01 0.00 1.67 3.38 -0.87 -3.39 115.31 116.87 1qit h LEU 87 Ca 0.17 -0.59 0.00 0.00 0.09 0.00 0.00 57.88 57.55 1qit h LEU 87 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1qit h LEU 87 CO 0.01 0.59 -1.68 0.49 0.09 0.00 0.00 178.44 177.94 1qit n PHE 88 N -4.81 0.00 0.00 1.13 3.72 0.38 -4.73 117.46 113.15 1qit n PHE 88 Ca -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 1qit n PHE 88 Cb 0.30 -0.35 0.00 0.00 -0.94 0.00 0.00 39.48 38.49 1qit n PHE 88 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1qit n GLY 89 N 1.49 2.62 0.28 1.37 0.00 0.07 -4.57 105.19 106.45 1qit n GLY 89 Ca -0.02 -1.71 -0.10 0.00 0.00 0.00 0.00 46.02 44.19 1qit n GLY 89 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1qit h LYS 90 N 0.00 -0.30 -0.87 1.61 6.56 -1.89 -2.41 116.57 119.27 1qit h LYS 90 Ca 0.00 0.02 -0.27 0.00 -1.06 0.00 0.00 60.65 59.34 1qit h LYS 90 Cb 0.00 0.07 -0.16 0.00 -0.57 0.00 0.00 32.23 31.57 1qit h LYS 90 CO 0.00 -0.20 0.34 0.41 -2.06 0.00 0.00 179.45 177.94 1qit n GLY 91 N -1.37 3.59 3.72 3.86 0.00 -1.26 -4.97 105.19 108.75 1qit n GLY 91 Ca -0.03 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 44.71 1qit n GLY 91 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1qit n SER 92 N -0.34 3.00 0.04 1.61 2.88 -0.91 -4.86 113.62 115.03 1qit n SER 92 Ca 0.40 1.20 -0.01 0.00 -1.33 0.00 0.00 58.87 59.13 1qit n SER 92 Cb 1.32 -1.52 0.28 0.00 -0.75 0.00 0.00 64.21 63.54 1qit n SER 92 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1qit h ALA 93 N 2.57 1.30 -0.88 -1.46 0.00 -1.92 -0.98 119.26 117.88 1qit h ALA 93 Ca -0.48 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.15 1qit h ALA 93 Cb 1.27 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 1qit h ALA 93 CO 0.62 0.47 0.47 -0.07 0.00 0.00 0.00 179.25 180.75 1qit h LEU 94 N 0.39 1.11 -0.20 0.00 4.07 -1.96 0.17 115.31 118.89 1qit h LEU 94 Ca 0.07 -0.11 -0.08 0.00 0.08 0.00 0.00 57.88 57.85 1qit h LEU 94 Cb 0.48 -0.28 -0.00 0.00 1.08 0.00 0.00 40.66 41.94 1qit h LEU 94 CO 0.03 0.90 -0.19 0.40 -1.08 0.00 0.00 178.44 178.49 1qit h ILE 95 N 1.23 1.33 -0.02 1.22 2.04 -1.80 -1.51 117.51 120.01 1qit h ILE 95 Ca 0.31 -1.35 -0.11 0.00 1.00 0.00 0.00 64.86 64.71 1qit h ILE 95 Cb 0.04 1.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.87 1qit h ILE 95 CO -0.05 0.41 -0.50 0.78 0.00 0.00 0.00 178.15 178.79 1qit h ASN 96 N 0.15 0.04 0.09 1.72 -0.26 -0.88 -2.84 115.58 113.60 1qit h ASN 96 Ca 0.03 -0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.75 1qit h ASN 96 Cb 0.74 -0.01 0.00 0.00 -1.06 0.00 0.00 38.32 37.98 1qit h ASN 96 CO 0.05 0.54 -0.12 0.47 -1.06 0.00 0.00 177.43 177.31 1qit n ASP 97 N -3.94 1.37 -3.52 5.81 8.00 0.57 -4.95 116.55 119.88 1qit n ASP 97 Ca -0.02 -1.26 -0.20 0.00 0.71 0.00 0.00 54.79 54.02 1qit n ASP 97 Cb 0.52 0.07 0.08 0.00 -0.02 0.00 0.00 41.12 41.77 1qit n ASP 97 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1qit n LYS 98 N -0.13 -7.06 0.00 -1.24 5.02 -1.02 -4.28 118.16 109.45 1qit n LYS 98 Ca 0.16 0.82 0.12 0.00 -2.02 0.00 0.00 58.31 57.39 1qit n LYS 98 Cb 0.36 -5.84 0.20 0.00 -0.02 0.00 0.00 35.03 29.74 1qit n LYS 98 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1qit n ARG 99 N -4.50 1.02 -4.92 1.97 1.74 -0.60 -3.63 116.66 107.74 1qit n ARG 99 Ca -0.16 -0.73 -0.26 0.00 -0.77 0.00 0.00 57.85 55.93 1qit n ARG 99 Cb 0.62 -1.48 -0.16 0.00 -1.02 0.00 0.00 32.46 30.42 1qit n ARG 99 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1qit s ALA 100 N -2.49 1.58 -0.04 7.54 0.00 -1.25 -1.43 121.76 125.67 1qit s ALA 100 Ca 0.22 -0.81 0.03 0.00 0.00 0.00 0.00 51.96 51.39 1qit s ALA 100 Cb 0.19 -0.42 0.01 0.00 0.00 0.00 0.00 23.12 22.90 1qit s ALA 100 CO 0.54 0.38 -0.11 1.03 0.00 0.00 0.00 175.76 177.60 1qit s ARG 101 N -0.40 1.30 -0.02 0.00 1.81 -0.46 -4.98 118.95 116.20 1qit s ARG 101 Ca 0.06 -0.36 0.07 0.00 -1.72 0.00 0.00 55.73 53.78 1qit s ARG 101 Cb -0.08 -1.15 -0.02 0.00 -0.45 0.00 0.00 34.95 33.26 1qit s ARG 101 CO -0.00 0.09 -0.24 -0.08 -0.68 0.00 0.00 175.30 174.38 1qit s THR 102 N 0.39 1.89 -0.14 0.02 -1.32 -1.26 -1.12 115.64 114.10 1qit s THR 102 Ca -0.08 -1.02 -0.02 0.00 -1.21 0.00 0.00 61.69 59.36 1qit s THR 102 Cb -0.12 -1.57 -0.02 0.00 -1.51 0.00 0.00 72.50 69.28 1qit s THR 102 CO 0.02 0.54 -0.07 0.00 -2.21 0.00 0.00 174.62 172.89 1qit s ALA 103 N -0.55 2.86 0.20 11.08 0.00 -0.49 -4.88 121.76 129.98 1qit s ALA 103 Ca 0.09 -0.85 -0.30 0.00 0.00 0.00 0.00 51.96 50.90 1qit s ALA 103 Cb -0.09 -1.41 -0.08 0.00 0.00 0.00 0.00 23.12 21.54 1qit s ALA 103 CO -0.01 0.25 1.18 -1.14 0.00 0.00 0.00 175.76 176.05 1qit s GLN 104 N 0.27 4.52 0.18 0.00 0.74 -0.11 -1.50 119.66 123.75 1qit s GLN 104 Ca -0.05 1.86 0.01 0.00 0.05 0.00 0.00 55.36 57.23 1qit s GLN 104 Cb -0.15 -3.23 -0.05 0.00 1.10 0.00 0.00 33.01 30.68 1qit s GLN 104 CO 0.04 -0.04 0.02 0.95 -0.55 0.00 0.00 175.29 175.71 1qit s THR 105 N -0.23 0.60 -1.03 -0.34 -4.23 -0.53 -4.59 115.64 105.30 1qit s THR 105 Ca 0.51 -1.98 -0.22 0.00 -1.18 0.00 0.00 61.69 58.82 1qit s THR 105 Cb -0.32 -2.17 0.06 0.00 1.34 0.00 0.00 72.50 71.41 1qit s THR 105 CO 0.37 -0.42 1.44 -2.16 -0.54 0.00 0.00 174.62 173.32 1qit s PRO 106 N -3.94 3.62 0.05 3.99 0.05 -1.26 -2.04 135.00 135.47 1qit s PRO 106 Ca 0.25 -1.22 0.00 0.00 0.05 0.00 0.00 61.00 60.08 1qit s PRO 106 Cb 0.06 -5.34 0.00 0.00 0.05 0.00 0.00 34.50 29.27 1qit s PRO 106 CO 0.05 -2.18 0.00 0.41 0.05 0.00 0.00 177.00 175.33 1qit n GLY 107 N 6.69 -1.65 0.22 0.56 0.00 -1.09 -2.63 105.19 107.29 1qit n GLY 107 Ca 0.33 -1.47 -0.02 0.00 0.00 0.00 0.00 46.02 44.86 1qit n GLY 107 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1qit h GLY 108 N -0.17 0.36 0.94 -0.02 0.00 -1.77 -2.71 103.07 99.71 1qit h GLY 108 Ca -0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 1qit h GLY 108 CO 0.00 0.27 0.17 -0.84 0.00 0.00 0.00 176.54 176.14 1qit h THR 109 N 0.29 1.18 -0.95 4.70 2.02 -1.91 -1.14 112.91 117.10 1qit h THR 109 Ca 0.04 -0.53 0.06 0.00 0.77 0.00 0.00 66.41 66.76 1qit h THR 109 Cb 0.66 0.84 -0.06 0.00 -1.74 0.00 0.00 68.15 67.85 1qit h THR 109 CO 0.05 0.19 0.62 1.23 0.37 0.00 0.00 175.52 177.98 1qit h GLY 110 N 0.46 1.41 1.14 2.16 0.00 -1.39 -0.69 103.07 106.17 1qit h GLY 110 Ca 0.13 -0.44 -0.10 0.00 0.00 0.00 0.00 47.33 46.91 1qit h GLY 110 CO -0.01 0.32 -0.03 0.00 0.00 0.00 0.00 176.54 176.81 1qit h ALA 111 N 1.48 0.86 -0.48 3.60 0.00 -1.08 -1.43 119.26 122.22 1qit h ALA 111 Ca 0.41 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 1qit h ALA 111 Cb 0.18 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1qit h ALA 111 CO -0.16 0.66 -0.01 -0.07 0.00 0.00 0.00 179.25 179.67 1qit h LEU 112 N 0.92 0.83 -0.59 0.00 3.38 -0.54 -1.29 115.31 118.02 1qit h LEU 112 Ca 0.16 -0.31 -0.08 0.00 0.09 0.00 0.00 57.88 57.74 1qit h LEU 112 Cb 0.58 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1qit h LEU 112 CO 0.03 0.94 0.05 -0.09 0.09 0.00 0.00 178.44 179.47 1qit h ARG 113 N 0.70 1.01 -0.74 1.13 9.65 -1.02 -0.19 114.38 124.92 1qit h ARG 113 Ca 0.13 -0.29 -0.05 0.00 -1.10 0.00 0.00 59.98 58.67 1qit h ARG 113 Cb 0.52 -0.11 -0.03 0.00 -1.39 0.00 0.00 29.97 28.96 1qit h ARG 113 CO 0.03 0.97 0.26 0.28 2.80 0.00 0.00 179.97 184.31 1qit h VAL 114 N 0.91 1.26 -0.63 0.20 2.07 -1.18 0.11 116.25 118.98 1qit h VAL 114 Ca 0.17 -0.85 -0.05 0.00 0.82 0.00 0.00 66.70 66.80 1qit h VAL 114 Cb 0.48 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 1qit h VAL 114 CO 0.02 0.34 0.21 0.00 0.02 0.00 0.00 177.57 178.16 1qit h ALA 115 N 1.19 0.82 -0.06 1.67 0.00 -0.93 -1.07 119.26 120.89 1qit h ALA 115 Ca 0.24 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1qit h ALA 115 Cb 0.26 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1qit h ALA 115 CO -0.01 0.48 0.02 0.00 0.00 0.00 0.00 179.25 179.74 1qit h ALA 116 N 1.08 0.08 -0.47 0.00 0.00 -0.39 -1.08 119.26 118.48 1qit h ALA 116 Ca 0.20 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1qit h ALA 116 Cb 0.27 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1qit h ALA 116 CO -0.01 -0.32 0.30 -0.44 0.00 0.00 0.00 179.25 178.78 1qit h ASP 117 N -0.08 0.51 -0.35 0.00 3.32 -0.92 -0.41 116.42 118.49 1qit h ASP 117 Ca 0.02 -0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.07 1qit h ASP 117 Cb 0.19 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 1qit h ASP 117 CO -0.00 0.36 0.21 0.15 -1.72 0.00 0.00 179.24 178.25 1qit h PHE 118 N 0.61 0.40 -0.41 4.55 3.57 -1.07 -1.78 116.94 122.81 1qit h PHE 118 Ca 0.18 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.58 1qit h PHE 118 Cb -0.04 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.55 1qit h PHE 118 CO -0.05 0.24 -0.18 -0.07 -2.23 0.00 0.00 178.31 176.02 1qit h LEU 119 N 0.44 0.87 -0.72 0.59 3.38 -0.98 -0.31 115.31 118.56 1qit h LEU 119 Ca 0.13 -0.40 -0.05 0.00 0.09 0.00 0.00 57.88 57.66 1qit h LEU 119 Cb -0.02 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 1qit h LEU 119 CO -0.05 1.07 0.27 0.00 0.09 0.00 0.00 178.44 179.82 1qit h ALA 120 N 0.83 0.94 0.00 1.53 0.00 -1.02 -2.22 119.26 119.31 1qit h ALA 120 Ca 0.09 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1qit h ALA 120 Cb 0.73 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1qit h ALA 120 CO 0.06 0.58 -0.85 1.57 0.00 0.00 0.00 179.25 180.61 1qit h LYS 121 N 1.05 0.00 -0.00 0.00 2.10 -1.29 -3.41 116.57 115.02 1qit h LYS 121 Ca 0.24 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.89 1qit h LYS 121 Cb 0.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.57 1qit h LYS 121 CO -0.02 0.07 -0.02 0.09 -2.00 0.00 0.00 179.45 177.57 1qit n ASN 122 N -2.81 0.46 -3.34 7.07 3.02 -0.13 -5.06 115.26 114.47 1qit n ASN 122 Ca -0.01 -0.73 -0.20 0.00 -0.03 0.00 0.00 54.58 53.62 1qit n ASN 122 Cb 0.60 0.59 -0.05 0.00 -0.61 0.00 0.00 39.78 40.30 1qit n ASN 122 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1qit n THR 123 N -0.58 0.00 0.08 3.41 -2.24 -0.84 -5.02 114.28 109.09 1qit n THR 123 Ca 0.00 -1.83 0.09 0.00 -2.27 0.00 0.00 64.05 60.05 1qit n THR 123 Cb 0.02 0.64 0.26 0.00 -2.10 0.00 0.00 70.33 69.15 1qit n THR 123 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1qit n SER 124 N -1.63 3.30 -4.74 3.42 3.41 -1.26 -4.79 113.62 111.33 1qit n SER 124 Ca -0.05 -2.09 -0.41 0.00 -0.26 0.00 0.00 58.87 56.06 1qit n SER 124 Cb 0.47 -0.42 -0.03 0.00 -0.26 0.00 0.00 64.21 63.98 1qit n SER 124 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1qit s VAL 125 N -1.36 2.78 0.00 -3.33 1.01 -1.26 -4.89 120.40 113.34 1qit s VAL 125 Ca 0.39 0.63 0.00 0.00 0.00 0.00 0.00 61.98 63.00 1qit s VAL 125 Cb 0.22 -3.40 0.00 0.00 0.00 0.00 0.00 36.38 33.20 1qit s VAL 125 CO 0.25 0.09 0.00 2.29 0.00 0.00 0.00 175.10 177.73 1qit n LYS 126 N 2.71 3.19 -4.62 2.72 2.85 -1.26 -4.73 118.16 119.01 1qit n LYS 126 Ca 0.08 0.00 -0.23 0.00 -1.05 0.00 0.00 58.31 57.11 1qit n LYS 126 Cb 0.40 -0.44 -0.15 0.00 -0.65 0.00 0.00 35.03 34.19 1qit n LYS 126 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 177.40 177.85 1qit s ARG 129 N -0.62 1.23 -0.08 -1.58 6.06 -1.26 -1.10 118.95 121.60 1qit s ARG 129 Ca 0.00 -0.47 0.01 0.00 -2.50 0.00 0.00 55.73 52.77 1qit s ARG 129 Cb 0.00 -1.15 0.02 0.00 0.06 0.00 0.00 34.95 33.88 1qit s ARG 129 CO 0.00 0.24 -0.11 0.08 -2.50 0.00 0.00 175.30 173.01 1qit s VAL 133 N -0.12 1.13 -0.19 7.11 1.01 0.16 -1.65 120.40 127.85 1qit s VAL 133 Ca 0.01 -0.43 -0.13 0.00 0.00 0.00 0.00 61.98 61.43 1qit s VAL 133 Cb -0.08 -1.06 -0.05 0.00 0.00 0.00 0.00 36.38 35.20 1qit s VAL 133 CO 0.00 0.36 0.28 0.26 0.00 0.00 0.00 175.10 176.00 1qit s TRP 134 N 0.98 3.41 0.09 5.22 0.52 0.39 -1.17 118.94 128.39 1qit s TRP 134 Ca -0.08 0.51 0.09 0.00 0.02 0.00 0.00 56.10 56.63 1qit s TRP 134 Cb -0.15 -2.35 -0.03 0.00 -1.15 0.00 0.00 33.47 29.79 1qit s TRP 134 CO -0.00 0.16 -0.22 0.08 0.02 0.00 0.00 176.95 176.99 1qit s VAL 135 N 0.73 1.82 0.59 4.03 1.01 -0.64 -0.11 120.40 127.83 1qit s VAL 135 Ca 0.15 -1.49 -0.17 0.00 0.00 0.00 0.00 61.98 60.47 1qit s VAL 135 Cb -0.13 -1.63 -0.03 0.00 0.00 0.00 0.00 36.38 34.59 1qit s VAL 135 CO 0.04 0.05 1.09 -0.94 0.00 0.00 0.00 175.10 175.34 1qit s SER 136 N -1.73 5.61 -0.32 3.32 1.04 -1.26 -1.30 113.70 119.05 1qit s SER 136 Ca 0.08 1.96 -0.04 0.00 0.48 0.00 0.00 55.95 58.43 1qit s SER 136 Cb -0.10 -2.55 0.05 0.00 0.10 0.00 0.00 66.02 63.52 1qit s SER 136 CO 0.04 -1.28 0.06 0.21 0.98 0.00 0.00 173.24 173.24 1qit s ASN 137 N -2.43 5.08 0.70 7.02 3.04 -0.16 -2.72 114.94 125.47 1qit s ASN 137 Ca 0.67 -1.30 -0.03 0.00 0.04 0.00 0.00 52.86 52.24 1qit s ASN 137 Cb -0.19 -1.78 0.10 0.00 -1.54 0.00 0.00 41.25 37.84 1qit s ASN 137 CO 0.35 -0.31 0.98 -2.16 -3.04 0.00 0.00 177.10 172.91 1qit s PRO 138 N 1.30 1.89 0.29 0.43 0.04 -1.26 -2.82 135.00 134.86 1qit s PRO 138 Ca -0.03 -0.80 -0.09 0.00 0.04 0.00 0.00 61.00 60.12 1qit s PRO 138 Cb -0.20 -2.29 0.00 0.00 0.04 0.00 0.00 34.50 32.05 1qit s PRO 138 CO 0.00 -1.32 0.48 0.45 0.04 0.00 0.00 177.00 176.65 1qit s SER 139 N -4.63 0.25 -0.01 6.66 0.15 -1.10 -4.67 113.70 110.34 1qit s SER 139 Ca 0.64 -1.15 -0.34 0.00 0.70 0.00 0.00 55.95 55.79 1qit s SER 139 Cb -0.07 0.62 -0.13 0.00 -1.71 0.00 0.00 66.02 64.73 1qit s SER 139 CO 0.44 -1.22 1.76 1.87 1.20 0.00 0.00 173.24 177.28 1qit n TRP 140 N -0.45 2.27 -0.19 3.44 -0.00 -0.95 -4.51 117.44 117.04 1qit n TRP 140 Ca -0.01 0.13 0.29 0.00 -0.00 0.00 0.00 57.50 57.91 1qit n TRP 140 Cb 0.62 -2.60 0.72 0.00 -0.00 0.00 0.00 31.31 30.05 1qit n TRP 140 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 177.69 176.34 1qit h PRO 141 N 7.88 0.01 0.00 5.87 0.11 -2.00 -2.07 132.00 141.80 1qit h PRO 141 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1qit h PRO 141 Cb 1.27 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1qit h PRO 141 CO 0.92 0.00 0.00 -1.71 -0.21 0.00 0.00 178.00 177.01 1qit n ASN 142 N -4.26 0.00 -0.08 -2.05 5.15 -1.26 -3.80 115.26 108.95 1qit n ASN 142 Ca 0.19 0.49 -0.08 0.00 -0.60 0.00 0.00 54.58 54.58 1qit n ASN 142 Cb 0.99 -0.50 -0.01 0.00 -0.53 0.00 0.00 39.78 39.73 1qit n ASN 142 CO 0.00 0.00 0.00 0.45 1.40 0.00 0.00 177.26 179.11 1qit h HIS 143 N 0.00 0.30 -0.39 1.20 3.86 -1.75 -2.24 115.15 116.14 1qit h HIS 143 Ca 0.00 0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.26 1qit h HIS 143 Cb 0.46 -0.09 -0.04 0.00 1.06 0.00 0.00 27.41 28.80 1qit h HIS 143 CO 0.00 0.17 0.15 -0.22 0.86 0.00 0.00 177.93 178.89 1qit h LYS 144 N 0.34 0.31 -0.45 2.45 3.64 -1.79 -2.30 116.57 118.77 1qit h LYS 144 Ca 0.12 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1qit h LYS 144 Cb 0.02 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 1qit h LYS 144 CO -0.07 0.20 0.28 0.77 -2.27 0.00 0.00 179.45 178.36 1qit h SER 145 N 0.32 0.53 -0.16 4.20 0.02 -1.71 -0.42 113.55 116.33 1qit h SER 145 Ca 0.18 -0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1qit h SER 145 Cb 0.14 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 1qit h SER 145 CO -0.17 0.41 0.09 0.58 -1.14 0.00 0.00 176.83 176.61 1qit h VAL 146 N 0.60 1.08 -0.34 2.27 2.07 -1.13 -0.51 116.25 120.29 1qit h VAL 146 Ca 0.16 -0.21 -0.10 0.00 0.82 0.00 0.00 66.70 67.37 1qit h VAL 146 Cb -0.03 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1qit h VAL 146 CO -0.03 0.08 -0.18 -0.26 0.02 0.00 0.00 177.57 177.19 1qit h PHE 147 N 0.17 0.83 0.00 1.57 0.04 -1.33 -2.25 116.94 115.97 1qit h PHE 147 Ca 0.06 -0.21 -0.02 0.00 2.80 0.00 0.00 57.97 60.59 1qit h PHE 147 Cb 0.04 -0.19 -0.00 0.00 2.20 0.00 0.00 35.95 38.00 1qit h PHE 147 CO -0.05 0.93 -0.12 -0.91 -0.60 0.00 0.00 178.31 177.57 1qit h ASN 148 N 0.49 0.00 -0.36 2.17 2.35 -1.04 -1.75 115.58 117.45 1qit h ASN 148 Ca 0.07 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.77 1qit h ASN 148 Cb 0.72 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.07 1qit h ASN 148 CO 0.05 0.12 0.05 0.28 -1.65 0.00 0.00 177.43 176.28 1qit h SER 149 N 0.00 0.65 0.13 5.81 0.02 -0.47 -1.83 113.55 117.86 1qit h SER 149 Ca -0.00 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 1qit h SER 149 Cb 0.22 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.59 1qit h SER 149 CO 0.02 0.68 -0.04 0.00 -1.14 0.00 0.00 176.83 176.35 1qit n ALA 150 N -2.47 2.68 -1.89 3.77 0.00 -0.73 -4.92 120.51 116.95 1qit n ALA 150 Ca 0.03 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1qit n ALA 150 Cb 0.24 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.33 1qit n ALA 150 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qit n GLY 151 N 1.15 0.72 3.60 0.00 0.00 -0.69 -4.83 105.19 105.14 1qit n GLY 151 Ca 0.19 -0.71 -0.30 0.00 0.00 0.00 0.00 46.02 45.20 1qit n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qit s LEU 152 N -0.30 3.13 0.16 0.99 1.43 -0.75 -5.00 118.68 118.34 1qit s LEU 152 Ca 0.00 -0.32 -0.05 0.00 -1.03 0.00 0.00 54.13 52.73 1qit s LEU 152 Cb 0.00 -1.90 -0.05 0.00 0.03 0.00 0.00 46.19 44.26 1qit s LEU 152 CO 0.00 0.19 0.40 -1.61 0.23 0.00 0.00 176.35 175.56 1qit s GLU 154 N -2.15 3.62 -0.21 1.70 0.41 -0.26 -3.73 118.70 118.08 1qit s GLU 154 Ca 0.22 -0.09 -0.07 0.00 -0.41 0.00 0.00 54.97 54.61 1qit s GLU 154 Cb -0.11 -2.82 -0.04 0.00 -1.78 0.00 0.00 34.13 29.38 1qit s GLU 154 CO 0.14 0.43 0.06 0.08 -0.49 0.00 0.00 175.26 175.48 1qit s VAL 155 N -1.72 4.56 0.14 2.63 1.01 -1.26 -0.66 120.40 125.09 1qit s VAL 155 Ca 0.41 -0.10 0.10 0.00 0.00 0.00 0.00 61.98 62.39 1qit s VAL 155 Cb -0.12 -3.08 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 1qit s VAL 155 CO 0.25 0.41 -0.20 -0.13 0.00 0.00 0.00 175.10 175.43 1qit s ARG 156 N 0.89 1.70 -0.04 2.72 0.52 -0.31 -4.96 118.95 119.46 1qit s ARG 156 Ca 0.04 -1.27 0.06 0.00 -0.52 0.00 0.00 55.73 54.03 1qit s ARG 156 Cb -0.14 -2.04 -0.02 0.00 0.52 0.00 0.00 34.95 33.27 1qit s ARG 156 CO 0.03 0.46 -0.21 -1.83 0.02 0.00 0.00 175.30 173.76 1qit s GLU 157 N -2.27 2.41 -0.03 3.54 -1.05 -1.26 -1.62 118.70 118.41 1qit s GLU 157 Ca 0.18 -0.83 -0.02 0.00 -0.15 0.00 0.00 54.97 54.15 1qit s GLU 157 Cb -0.10 -2.21 -0.04 0.00 -0.44 0.00 0.00 34.13 31.34 1qit s GLU 157 CO 0.10 0.53 0.11 1.52 0.95 0.00 0.00 175.26 178.46 1qit s TYR 158 N -0.51 3.39 0.62 4.83 -0.85 -0.42 -4.94 117.35 119.48 1qit s TYR 158 Ca 0.07 0.30 -0.19 0.00 -0.52 0.00 0.00 57.07 56.73 1qit s TYR 158 Cb -0.11 -1.80 -0.02 0.00 0.38 0.00 0.00 41.96 40.41 1qit s TYR 158 CO 0.01 0.60 1.29 0.00 -1.52 0.00 0.00 175.55 175.93 1qit s ALA 159 N -1.17 2.47 0.23 9.51 0.00 -1.26 -0.99 121.76 130.54 1qit s ALA 159 Ca 0.22 1.20 0.00 0.00 0.00 0.00 0.00 51.96 53.38 1qit s ALA 159 Cb -0.12 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.46 1qit s ALA 159 CO 0.12 -1.49 0.00 0.98 0.00 0.00 0.00 175.76 175.37 1qit n TYR 160 N -1.71 -2.85 -3.23 0.00 9.36 -1.20 -3.71 117.16 113.80 1qit n TYR 160 Ca 0.15 0.66 -0.39 0.00 3.32 0.00 0.00 57.90 61.64 1qit n TYR 160 Cb 0.48 1.74 -0.06 0.00 -0.63 0.00 0.00 39.34 40.88 1qit n TYR 160 CO 0.00 0.00 0.00 -0.47 0.22 0.00 0.00 176.86 176.61 1qit s TYR 161 N -1.54 3.63 -0.47 2.98 5.04 -1.13 -0.15 117.35 125.72 1qit s TYR 161 Ca 0.00 1.11 -0.12 0.00 -2.44 0.00 0.00 57.07 55.63 1qit s TYR 161 Cb 0.00 -2.60 0.10 0.00 0.35 0.00 0.00 41.96 39.82 1qit s TYR 161 CO 0.00 0.29 0.36 0.34 -1.34 0.00 0.00 175.55 175.20 1qit s ASP 162 N 0.07 5.85 0.47 4.32 2.15 0.71 -4.78 116.67 125.45 1qit s ASP 162 Ca 0.30 -1.67 0.22 0.00 0.43 0.00 0.00 52.55 51.83 1qit s ASP 162 Cb -0.17 -2.07 1.15 0.00 -0.30 0.00 0.00 42.92 41.52 1qit s ASP 162 CO 0.15 -0.67 1.97 0.00 -0.17 0.00 0.00 175.17 176.45 1qit h ALA 163 N 8.57 1.33 0.19 3.66 0.00 -1.96 0.32 119.26 131.37 1qit h ALA 163 Ca -0.25 -0.19 -0.26 0.00 0.00 0.00 0.00 54.91 54.22 1qit h ALA 163 Cb 1.09 -0.03 0.03 0.00 0.00 0.00 0.00 17.79 18.87 1qit h ALA 163 CO 0.87 0.25 -1.12 1.49 0.00 0.00 0.00 179.25 180.74 1qit h GLU 164 N 0.00 0.43 -0.02 0.00 4.81 -1.95 -3.35 114.58 114.50 1qit h GLU 164 Ca -0.00 -0.71 0.00 0.00 -0.13 0.00 0.00 59.36 58.52 1qit h GLU 164 Cb 0.46 0.26 0.00 0.00 0.63 0.00 0.00 28.75 30.10 1qit h GLU 164 CO 0.03 1.34 -0.30 0.09 -0.73 0.00 0.00 179.01 179.44 1qit n ASN 165 N -3.94 2.01 -3.66 1.04 3.02 -1.21 -4.98 115.26 107.55 1qit n ASN 165 Ca -0.15 -1.51 -0.22 0.00 -0.03 0.00 0.00 54.58 52.67 1qit n ASN 165 Cb 0.95 0.35 0.05 0.00 -0.61 0.00 0.00 39.78 40.53 1qit n ASN 165 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1qit n HIS 166 N 0.22 -2.22 -4.37 3.10 8.25 0.11 -4.99 115.22 115.31 1qit n HIS 166 Ca 0.09 0.91 -0.19 0.00 -0.26 0.00 0.00 57.72 58.27 1qit n HIS 166 Cb 0.42 -4.60 -0.10 0.00 1.12 0.00 0.00 29.99 26.83 1qit n HIS 166 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1qit s THR 167 N -3.46 1.17 -0.27 1.59 -4.23 -0.85 -4.96 115.64 104.63 1qit s THR 167 Ca 0.23 -2.04 -0.28 0.00 -1.18 0.00 0.00 61.69 58.41 1qit s THR 167 Cb -0.11 -2.45 0.01 0.00 1.34 0.00 0.00 72.50 71.29 1qit s THR 167 CO 0.78 -0.25 1.01 -0.22 -0.54 0.00 0.00 174.62 175.40 1qit s LEU 168 N -3.36 4.04 -1.00 4.79 2.96 -1.26 -0.21 118.68 124.64 1qit s LEU 168 Ca 0.30 1.18 -0.20 0.00 -0.22 0.00 0.00 54.13 55.20 1qit s LEU 168 Cb 0.06 -3.47 0.11 0.00 0.50 0.00 0.00 46.19 43.38 1qit s LEU 168 CO 0.11 -0.72 1.28 -0.62 -1.32 0.00 0.00 176.35 175.07 1qit s ASP 169 N 1.40 6.63 0.21 3.68 -1.08 0.78 -4.87 116.67 123.42 1qit s ASP 169 Ca 0.43 -1.95 -0.07 0.00 -0.52 0.00 0.00 52.55 50.44 1qit s ASP 169 Cb -0.14 -2.46 0.16 0.00 -1.46 0.00 0.00 42.92 39.02 1qit s ASP 169 CO 0.10 -1.18 1.70 0.15 0.52 0.00 0.00 175.17 176.45 1qit h PHE 170 N 8.96 1.10 -0.43 -5.34 3.57 -1.93 -1.78 116.94 121.09 1qit h PHE 170 Ca 0.20 -0.16 -0.13 0.00 3.53 0.00 0.00 57.97 61.41 1qit h PHE 170 Cb 1.00 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.43 1qit h PHE 170 CO 1.21 0.95 -0.24 -0.44 -2.23 0.00 0.00 178.31 177.56 1qit h ASP 171 N 0.96 0.90 -0.83 0.41 3.32 -1.98 -1.02 116.42 118.18 1qit h ASP 171 Ca 0.19 -0.34 -0.04 0.00 0.02 0.00 0.00 57.03 56.86 1qit h ASP 171 Cb 0.47 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.73 1qit h ASP 171 CO 0.02 1.09 0.37 0.00 -1.72 0.00 0.00 179.24 179.00 1qit h ALA 172 N 0.97 1.09 0.09 3.45 0.00 -1.90 0.82 119.26 123.78 1qit h ALA 172 Ca 0.10 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.84 1qit h ALA 172 Cb 0.78 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1qit h ALA 172 CO 0.06 0.67 -0.11 1.25 0.00 0.00 0.00 179.25 181.12 1qit h LEU 173 N 1.19 -0.29 0.05 0.00 7.12 -0.92 -0.20 115.31 122.27 1qit h LEU 173 Ca 0.28 0.03 -0.00 0.00 0.13 0.00 0.00 57.88 58.32 1qit h LEU 173 Cb 0.16 0.11 0.00 0.00 -0.53 0.00 0.00 40.66 40.40 1qit h LEU 173 CO -0.03 -0.17 -0.02 0.40 -0.13 0.00 0.00 178.44 178.49 1qit h ILE 174 N -0.23 1.02 -0.04 4.05 1.08 -0.86 -1.49 117.51 121.03 1qit h ILE 174 Ca 0.01 -0.20 -0.04 0.00 -0.39 0.00 0.00 64.86 64.23 1qit h ILE 174 Cb 0.23 1.15 -0.01 0.00 -3.07 0.00 0.00 36.82 35.13 1qit h ILE 174 CO -0.04 0.05 -0.18 0.78 -0.69 0.00 0.00 178.15 178.07 1qit h ASN 175 N -0.15 0.06 -0.14 1.72 -0.26 -0.79 -2.14 115.58 113.88 1qit h ASN 175 Ca -0.01 -0.01 -0.18 0.00 -0.56 0.00 0.00 56.30 55.54 1qit h ASN 175 Cb 0.13 -0.02 -0.00 0.00 -1.06 0.00 0.00 38.32 37.38 1qit h ASN 175 CO 0.01 0.25 -0.56 0.28 -1.06 0.00 0.00 177.43 176.35 1qit h SER 176 N 0.06 0.82 0.86 5.81 0.02 -0.78 -3.09 113.55 117.25 1qit h SER 176 Ca 0.01 -0.44 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 1qit h SER 176 Cb 0.36 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.66 1qit h SER 176 CO 0.02 1.21 0.00 0.18 -1.14 0.00 0.00 176.83 177.10 1qit n LEU 177 N -3.98 0.20 0.03 5.07 4.77 -0.58 -2.96 117.00 119.55 1qit n LEU 177 Ca -0.04 0.53 0.08 0.00 -0.03 0.00 0.00 56.01 56.56 1qit n LEU 177 Cb 0.63 -0.48 0.36 0.00 -2.33 0.00 0.00 43.42 41.60 1qit n LEU 177 CO 0.49 -0.19 0.77 0.59 -1.33 0.00 0.00 177.39 177.72 1qit n ASN 178 N -1.71 0.17 -0.16 -1.43 5.03 -0.94 -1.77 115.26 114.45 1qit n ASN 178 Ca 0.05 0.54 0.13 0.00 0.87 0.00 0.00 54.58 56.17 1qit n ASN 178 Cb 0.28 -0.58 0.43 0.00 -1.02 0.00 0.00 39.78 38.89 1qit n ASN 178 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.26 176.64 1qit n GLU 179 N -1.68 0.63 -2.85 3.52 2.13 -1.16 -4.84 120.64 116.39 1qit n GLU 179 Ca 0.03 -0.32 -0.41 0.00 0.66 0.00 0.00 57.16 57.12 1qit n GLU 179 Cb 0.19 -1.49 -0.04 0.00 0.27 0.00 0.00 31.44 30.37 1qit n GLU 179 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1qit s ALA 180 N -2.60 3.39 0.60 4.31 0.00 -0.73 -5.06 121.76 121.69 1qit s ALA 180 Ca 0.23 0.22 -0.06 0.00 0.00 0.00 0.00 51.96 52.35 1qit s ALA 180 Cb 0.19 -3.24 0.02 0.00 0.00 0.00 0.00 23.12 20.09 1qit s ALA 180 CO 0.54 -0.45 0.91 -0.65 0.00 0.00 0.00 175.76 176.11 1qit s GLN 181 N 1.64 2.83 0.18 0.00 -0.21 -1.26 -5.01 119.66 117.83 1qit s GLN 181 Ca 0.43 -0.04 -0.31 0.00 0.02 0.00 0.00 55.36 55.46 1qit s GLN 181 Cb -0.18 -2.26 -0.09 0.00 1.00 0.00 0.00 33.01 31.48 1qit s GLN 181 CO 0.17 -0.77 1.45 0.00 -2.12 0.00 0.00 175.29 174.03 1qit s ALA 182 N -3.02 3.66 0.00 6.09 0.00 -1.24 -2.18 121.76 125.06 1qit s ALA 182 Ca 0.55 1.27 0.00 0.00 0.00 0.00 0.00 51.96 53.77 1qit s ALA 182 Cb -0.11 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.45 1qit s ALA 182 CO 0.45 -0.70 0.00 0.41 0.00 0.00 0.00 175.76 175.92 1qit n GLY 183 N 3.04 0.16 3.88 0.00 0.00 0.44 -4.99 105.19 107.72 1qit n GLY 183 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 1qit n GLY 183 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qit s ASP 184 N -2.13 6.36 -0.14 1.61 1.11 -0.93 -4.51 116.67 118.03 1qit s ASP 184 Ca 0.00 1.14 -0.10 0.00 0.18 0.00 0.00 52.55 53.77 1qit s ASP 184 Cb 0.00 -2.34 -0.05 0.00 1.07 0.00 0.00 42.92 41.61 1qit s ASP 184 CO 0.00 -0.59 0.20 -0.69 1.18 0.00 0.00 175.17 175.27 1qit s VAL 185 N -2.72 5.38 -0.19 -1.27 1.01 -0.66 -1.26 120.40 120.69 1qit s VAL 185 Ca 0.51 0.35 -0.00 0.00 0.00 0.00 0.00 61.98 62.84 1qit s VAL 185 Cb -0.10 -3.51 0.02 0.00 0.00 0.00 0.00 36.38 32.78 1qit s VAL 185 CO 0.42 0.50 -0.16 -0.69 0.00 0.00 0.00 175.10 175.18 1qit s VAL 186 N -0.24 2.38 -0.17 2.92 1.01 -0.60 -0.46 120.40 125.24 1qit s VAL 186 Ca 0.14 -0.88 -0.22 0.00 0.00 0.00 0.00 61.98 61.02 1qit s VAL 186 Cb -0.12 -2.05 -0.02 0.00 0.00 0.00 0.00 36.38 34.18 1qit s VAL 186 CO 0.03 0.48 0.69 -0.22 0.00 0.00 0.00 175.10 176.08 1qit s LEU 187 N 1.32 4.18 -0.02 3.92 2.96 0.84 -1.45 118.68 130.43 1qit s LEU 187 Ca 0.04 0.98 0.07 0.00 -0.22 0.00 0.00 54.13 55.01 1qit s LEU 187 Cb -0.14 -3.01 -0.02 0.00 0.50 0.00 0.00 46.19 43.52 1qit s LEU 187 CO -0.10 -0.27 -0.24 -0.36 -1.32 0.00 0.00 176.35 174.05 1qit s PHE 188 N 1.75 2.38 0.16 5.38 0.08 0.28 -4.55 117.98 123.46 1qit s PHE 188 Ca 0.33 -0.40 -0.23 0.00 0.12 0.00 0.00 56.93 56.75 1qit s PHE 188 Cb -0.16 -1.51 -0.08 0.00 -0.57 0.00 0.00 43.02 40.70 1qit s PHE 188 CO 0.12 0.00 0.72 -1.01 -0.10 0.00 0.00 175.22 174.95 1qit s HIS 189 N -0.64 3.84 0.06 0.36 3.76 -1.26 -0.83 115.29 120.58 1qit s HIS 189 Ca 0.10 1.52 -0.21 0.00 -0.15 0.00 0.00 55.06 56.32 1qit s HIS 189 Cb -0.10 -2.68 -0.09 0.00 1.11 0.00 0.00 32.58 30.81 1qit s HIS 189 CO -0.01 0.50 1.33 0.78 -0.85 0.00 0.00 174.74 176.50 1qit h GLY 190 N 4.21 -1.13 -3.93 -2.22 0.00 -1.59 -3.46 103.07 94.95 1qit h GLY 190 Ca -0.48 0.55 0.08 0.00 0.00 0.00 0.00 47.33 47.48 1qit h GLY 190 CO 0.65 -0.34 0.49 0.86 0.00 0.00 0.00 176.54 178.20 1qit s TRP 191 N -4.67 -0.39 -0.69 5.60 -0.11 -1.26 -4.66 118.94 112.76 1qit s TRP 191 Ca -0.10 0.50 -0.03 0.00 1.22 0.00 0.00 56.10 57.69 1qit s TRP 191 Cb 0.03 0.48 -0.04 0.00 -1.50 0.00 0.00 33.47 32.45 1qit s TRP 191 CO 0.36 -0.46 0.61 0.00 -4.62 0.00 0.00 176.95 172.85 1qit n HIS 193 N -2.44 1.76 -3.93 0.00 -0.00 -1.26 -4.78 115.22 104.56 1qit n HIS 193 Ca -0.04 0.52 -0.35 0.00 0.46 0.00 0.00 57.72 58.31 1qit n HIS 193 Cb 0.56 -2.40 -0.13 0.00 -0.12 0.00 0.00 29.99 27.91 1qit n HIS 193 CO 0.00 0.00 0.00 1.21 0.46 0.00 0.00 176.34 178.01 1qit s ASN 194 N 0.49 4.90 0.00 0.26 3.04 -1.26 0.12 114.94 122.49 1qit s ASN 194 Ca 0.79 -0.22 0.25 0.00 0.04 0.00 0.00 52.86 53.72 1qit s ASN 194 Cb -0.82 -1.86 0.42 0.00 -1.54 0.00 0.00 41.25 37.45 1qit s ASN 194 CO 0.46 0.02 1.37 -0.81 -3.04 0.00 0.00 177.10 175.09 1qit n PRO 195 N 4.55 1.50 0.12 0.43 -0.04 -1.26 -2.23 135.00 138.07 1qit n PRO 195 Ca -0.17 -1.12 0.01 0.00 -0.04 0.00 0.00 63.50 62.18 1qit n PRO 195 Cb 0.51 -1.48 -0.01 0.00 -0.04 0.00 0.00 33.50 32.49 1qit n PRO 195 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1qit h THR 196 N 2.73 1.01 0.00 0.52 1.35 -1.85 -3.36 112.91 113.32 1qit h THR 196 Ca 0.00 -2.45 0.00 0.00 -0.55 0.00 0.00 66.41 63.41 1qit h THR 196 Cb 0.71 2.49 0.00 0.00 -1.73 0.00 0.00 68.15 69.63 1qit h THR 196 CO 0.00 0.58 0.00 0.61 -0.25 0.00 0.00 175.52 176.46 1qit n GLY 197 N 1.26 0.63 3.65 5.82 0.00 0.12 -4.29 105.19 112.38 1qit n GLY 197 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 1qit n GLY 197 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qit s ILE 198 N -2.77 5.22 0.15 -0.61 -1.09 -1.26 -1.27 121.20 119.57 1qit s ILE 198 Ca 0.00 0.59 0.09 0.00 -2.23 0.00 0.00 60.65 59.10 1qit s ILE 198 Cb 0.00 -3.68 -0.04 0.00 -1.58 0.00 0.00 42.46 37.16 1qit s ILE 198 CO 0.00 0.25 -0.20 -1.81 -1.23 0.00 0.00 174.94 171.95 1qit s ASP 199 N 1.17 2.74 0.68 3.58 1.01 -1.26 -4.46 116.67 120.13 1qit s ASP 199 Ca 0.16 -0.82 -0.14 0.00 0.71 0.00 0.00 52.55 52.47 1qit s ASP 199 Cb -0.15 -0.16 0.01 0.00 1.01 0.00 0.00 42.92 43.63 1qit s ASP 199 CO 0.08 0.01 1.10 -2.84 0.21 0.00 0.00 175.17 173.73 1qit s PRO 200 N -2.56 2.70 0.81 8.23 0.02 -1.26 -4.99 135.00 137.95 1qit s PRO 200 Ca 0.14 1.32 -0.12 0.00 0.02 0.00 0.00 61.00 62.36 1qit s PRO 200 Cb -0.07 -1.94 0.08 0.00 0.02 0.00 0.00 34.50 32.59 1qit s PRO 200 CO 0.06 -1.32 1.13 0.95 -0.33 0.00 0.00 177.00 177.50 1qit s THR 201 N -2.50 2.57 0.31 0.99 -4.23 -1.26 -4.79 115.64 106.73 1qit s THR 201 Ca 0.65 0.19 -0.01 0.00 -1.18 0.00 0.00 61.69 61.34 1qit s THR 201 Cb -0.19 -3.05 0.26 0.00 1.34 0.00 0.00 72.50 70.85 1qit s THR 201 CO 0.45 -0.24 1.97 0.25 -0.54 0.00 0.00 174.62 176.51 1qit h LEU 202 N -1.10 0.89 -0.54 4.79 6.46 -1.98 0.14 115.31 123.96 1qit h LEU 202 Ca -0.47 -0.03 -0.00 0.00 -0.12 0.00 0.00 57.88 57.26 1qit h LEU 202 Cb 1.30 -0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 40.98 1qit h LEU 202 CO 0.63 0.65 0.34 -0.33 -0.62 0.00 0.00 178.44 179.11 1qit h GLU 203 N 1.04 0.73 -0.50 1.25 5.08 -2.00 -0.60 114.58 119.59 1qit h GLU 203 Ca 0.28 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.54 1qit h GLU 203 Cb -0.10 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 28.97 1qit h GLU 203 CO -0.06 0.52 0.16 1.96 -1.00 0.00 0.00 179.01 180.59 1qit h GLN 204 N 0.73 0.73 -0.40 2.33 4.20 -1.63 -1.54 115.11 119.52 1qit h GLN 204 Ca 0.20 -0.12 -0.10 0.00 0.06 0.00 0.00 58.65 58.68 1qit h GLN 204 Cb -0.03 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.61 1qit h GLN 204 CO -0.04 0.63 -0.18 -1.49 -0.67 0.00 0.00 178.83 177.09 1qit h TRP 205 N 0.71 0.85 -0.51 2.96 4.06 -0.05 -2.05 115.95 121.92 1qit h TRP 205 Ca 0.17 -0.18 -0.10 0.00 2.06 0.00 0.00 58.89 60.84 1qit h TRP 205 Cb 0.20 -0.21 -0.02 0.00 -1.00 0.00 0.00 29.16 28.14 1qit h TRP 205 CO 0.01 0.88 -0.06 1.96 -3.56 0.00 0.00 178.44 177.67 1qit h GLN 206 N 0.67 0.94 -0.69 0.49 4.20 -0.60 -0.45 115.11 119.68 1qit h GLN 206 Ca 0.10 -0.33 -0.01 0.00 0.06 0.00 0.00 58.65 58.47 1qit h GLN 206 Cb 0.67 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.35 1qit h GLN 206 CO 0.05 0.99 0.38 1.15 -0.67 0.00 0.00 178.83 180.73 1qit h THR 207 N 0.81 1.21 -0.66 -0.54 2.02 -1.18 -2.31 112.91 112.25 1qit h THR 207 Ca 0.14 -0.53 -0.07 0.00 0.77 0.00 0.00 66.41 66.72 1qit h THR 207 Cb 0.60 0.30 -0.03 0.00 -1.74 0.00 0.00 68.15 67.29 1qit h THR 207 CO 0.04 0.23 0.15 -0.07 0.37 0.00 0.00 175.52 176.24 1qit h LEU 208 N 0.95 1.02 -1.31 2.58 3.38 -1.19 -2.09 115.31 118.64 1qit h LEU 208 Ca 0.24 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1qit h LEU 208 Cb 0.03 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 1qit h LEU 208 CO -0.04 0.99 0.09 0.00 0.09 0.00 0.00 178.44 179.58 1qit h ALA 209 N 1.06 1.45 0.00 1.53 0.00 -0.73 -1.34 119.26 121.23 1qit h ALA 209 Ca 0.21 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 1qit h ALA 209 Cb 0.38 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1qit h ALA 209 CO 0.00 0.40 -0.90 -0.56 0.00 0.00 0.00 179.25 178.20 1qit h GLN 210 N 0.55 0.00 -0.00 0.00 3.07 -1.23 -2.88 115.11 114.61 1qit h GLN 210 Ca 0.13 0.00 -0.22 0.00 0.09 0.00 0.00 58.65 58.64 1qit h GLN 210 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.77 1qit h GLN 210 CO -0.00 0.48 -0.94 1.25 0.09 0.00 0.00 178.83 179.71 1qit h LEU 211 N 0.00 0.53 -0.52 0.06 5.85 -1.12 -2.43 115.31 117.68 1qit h LEU 211 Ca -0.07 -0.42 -0.14 0.00 0.84 0.00 0.00 57.88 58.10 1qit h LEU 211 Cb 1.51 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.36 1qit h LEU 211 CO 0.07 1.22 -0.27 0.28 -0.34 0.00 0.00 178.44 179.40 1qit h SER 212 N 0.23 0.95 -0.66 1.25 0.02 -1.24 -0.28 113.55 113.82 1qit h SER 212 Ca -0.08 -0.38 -0.06 0.00 -0.84 0.00 0.00 61.79 60.43 1qit h SER 212 Cb 1.57 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 63.82 1qit h SER 212 CO 0.16 1.16 0.19 1.62 -1.14 0.00 0.00 176.83 178.82 1qit h VAL 213 N 0.78 1.25 -0.10 2.27 3.04 -1.51 0.52 116.25 122.50 1qit h VAL 213 Ca 0.09 -0.91 -0.21 0.00 -1.01 0.00 0.00 66.70 64.67 1qit h VAL 213 Cb 0.83 0.52 0.00 0.00 -2.01 0.00 0.00 31.29 30.64 1qit h VAL 213 CO 0.07 0.35 -0.79 -0.08 -1.01 0.00 0.00 177.57 176.11 1qit h GLU 214 N 1.02 0.60 0.00 4.17 4.81 -1.32 -3.23 114.58 120.63 1qit h GLU 214 Ca 0.22 -0.51 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 1qit h GLU 214 Cb 0.32 0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.81 1qit h GLU 214 CO -0.00 1.13 -0.44 1.17 -0.73 0.00 0.00 179.01 180.14 1qit n LYS 215 N -3.88 0.21 -2.16 1.92 3.00 -0.12 -4.98 118.16 112.16 1qit n LYS 215 Ca -0.06 0.09 -0.02 0.00 -0.00 0.00 0.00 58.31 58.32 1qit n LYS 215 Cb 0.75 -1.66 0.00 0.00 0.00 0.00 0.00 35.03 34.12 1qit n LYS 215 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1qit n GLY 216 N 1.37 0.43 3.86 3.14 0.00 0.08 -3.64 105.19 110.43 1qit n GLY 216 Ca 0.04 -0.77 -0.32 0.00 0.00 0.00 0.00 46.02 44.97 1qit n GLY 216 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1qit s TRP 217 N -2.30 3.40 -0.36 1.61 0.51 -0.65 -0.42 118.94 120.73 1qit s TRP 217 Ca 0.01 1.07 -0.13 0.00 -2.12 0.00 0.00 56.10 54.92 1qit s TRP 217 Cb -0.00 -2.42 -0.00 0.00 -0.81 0.00 0.00 33.47 30.23 1qit s TRP 217 CO 0.01 0.12 0.26 -1.17 -0.51 0.00 0.00 176.95 175.66 1qit s LEU 218 N -3.07 4.71 0.23 2.99 2.96 -0.39 -4.78 118.68 121.33 1qit s LEU 218 Ca 0.51 -0.59 -0.30 0.00 -0.22 0.00 0.00 54.13 53.54 1qit s LEU 218 Cb -0.10 -2.14 -0.09 0.00 0.50 0.00 0.00 46.19 44.36 1qit s LEU 218 CO 0.21 -0.31 1.08 -2.84 -1.32 0.00 0.00 176.35 173.18 1qit s PRO 219 N 1.70 4.64 -0.18 0.98 0.02 -1.26 -1.56 135.00 139.35 1qit s PRO 219 Ca 0.06 1.73 -0.00 0.00 0.02 0.00 0.00 61.00 62.81 1qit s PRO 219 Cb -0.18 -3.24 0.04 0.00 0.02 0.00 0.00 34.50 31.14 1qit s PRO 219 CO 0.10 0.18 -0.07 -1.17 -0.33 0.00 0.00 177.00 175.71 1qit s LEU 220 N -0.92 1.83 -0.20 -5.54 0.20 -0.53 -2.41 118.68 111.11 1qit s LEU 220 Ca 0.46 -0.73 -0.10 0.00 0.69 0.00 0.00 54.13 54.45 1qit s LEU 220 Cb -0.30 -1.02 -0.05 0.00 -0.43 0.00 0.00 46.19 44.39 1qit s LEU 220 CO 0.37 -0.17 0.14 -0.36 -0.29 0.00 0.00 176.35 176.05 1qit s PHE 221 N 1.56 3.41 -0.46 5.38 0.40 -0.44 -0.56 117.98 127.27 1qit s PHE 221 Ca 0.00 0.35 -0.13 0.00 -0.60 0.00 0.00 56.93 56.55 1qit s PHE 221 Cb -0.15 -2.18 0.08 0.00 0.51 0.00 0.00 43.02 41.28 1qit s PHE 221 CO -0.08 0.28 0.35 0.34 0.70 0.00 0.00 175.22 176.81 1qit s ASP 222 N 0.39 5.95 -0.58 1.36 -1.08 -0.01 -0.65 116.67 122.06 1qit s ASP 222 Ca 0.09 -1.44 -0.04 0.00 -0.52 0.00 0.00 52.55 50.64 1qit s ASP 222 Cb -0.11 -2.11 0.15 0.00 -1.46 0.00 0.00 42.92 39.39 1qit s ASP 222 CO -0.01 -0.62 0.40 0.12 0.52 0.00 0.00 175.17 175.58 1qit s PHE 223 N 1.55 3.47 -0.87 -5.34 2.19 -0.37 -1.38 117.98 117.22 1qit s PHE 223 Ca 0.04 -2.55 0.08 0.00 0.33 0.00 0.00 56.93 54.83 1qit s PHE 223 Cb -0.24 -3.26 0.02 0.00 -1.31 0.00 0.00 43.02 38.23 1qit s PHE 223 CO 0.05 -0.89 0.64 0.00 1.83 0.00 0.00 175.22 176.85 1qit n ALA 224 N 3.85 2.63 -2.30 11.12 0.00 -1.26 -1.82 120.51 132.73 1qit n ALA 224 Ca 0.05 -0.47 -0.04 0.00 0.00 0.00 0.00 53.44 52.98 1qit n ALA 224 Cb 0.39 -0.29 0.07 0.00 0.00 0.00 0.00 19.45 19.62 1qit n ALA 224 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1qit n TYR 225 N 0.01 1.09 -1.79 0.00 4.01 -1.26 -4.58 117.16 114.63 1qit n TYR 225 Ca 0.04 -1.64 -0.42 0.00 -0.16 0.00 0.00 57.90 55.72 1qit n TYR 225 Cb 0.19 -0.24 -0.03 0.00 -0.31 0.00 0.00 39.34 38.95 1qit n TYR 225 CO 0.00 0.00 0.00 -1.14 -0.46 0.00 0.00 176.86 175.26 1qit s GLN 226 N -2.73 4.13 0.00 -0.72 0.74 -1.26 -1.93 119.66 117.89 1qit s GLN 226 Ca 0.37 2.44 0.00 0.00 0.05 0.00 0.00 55.36 58.22 1qit s GLN 226 Cb 0.37 -4.10 0.00 0.00 1.10 0.00 0.00 33.01 30.38 1qit s GLN 226 CO -0.06 -0.94 0.00 0.41 -0.55 0.00 0.00 175.29 174.15 1qit n GLY 227 N 4.43 0.55 0.30 2.59 0.00 -1.26 -4.79 105.19 107.01 1qit n GLY 227 Ca 0.19 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.34 1qit n GLY 227 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1qit n PHE 228 N -1.28 0.00 0.00 1.61 3.01 -0.81 -4.49 117.46 115.50 1qit n PHE 228 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1qit n PHE 228 Cb 0.00 -0.09 0.00 0.00 -0.01 0.00 0.00 39.48 39.38 1qit n PHE 228 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1qit n ALA 229 N -0.51 0.23 -0.01 4.37 0.00 -1.26 -4.01 120.51 119.32 1qit n ALA 229 Ca 0.12 -0.18 -0.02 0.00 0.00 0.00 0.00 53.44 53.36 1qit n ALA 229 Cb 0.37 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.81 1qit n ALA 229 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1qit n ARG 230 N -2.28 0.07 0.00 0.00 1.74 -1.26 -4.96 116.66 109.96 1qit n ARG 230 Ca 0.00 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 1qit n ARG 230 Cb 0.00 -1.05 0.00 0.00 -1.02 0.00 0.00 32.46 30.39 1qit n ARG 230 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1qit n GLY 231 N 3.36 -0.35 0.10 -0.13 0.00 -1.26 -4.99 105.19 101.93 1qit n GLY 231 Ca -0.05 -0.96 -0.13 0.00 0.00 0.00 0.00 46.02 44.89 1qit n GLY 231 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1qit h LEU 233 N 0.00 -0.14 -0.25 0.99 3.38 -1.90 -1.96 115.31 115.42 1qit h LEU 233 Ca 0.00 0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 1qit h LEU 233 Cb 0.00 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1qit h LEU 233 CO 0.00 -0.09 -0.74 -0.33 0.09 0.00 0.00 178.44 177.37 1qit h GLU 234 N -0.15 0.00 -0.06 1.13 4.39 -1.97 -3.25 114.58 114.68 1qit h GLU 234 Ca -0.01 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.44 1qit h GLU 234 Cb 0.12 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.79 1qit h GLU 234 CO 0.01 0.74 -0.94 0.93 -1.16 0.00 0.00 179.01 178.59 1qit h GLU 235 N 0.00 0.74 0.00 2.33 3.07 -1.93 -3.00 114.58 115.79 1qit h GLU 235 Ca -0.01 -0.71 0.00 0.00 -0.50 0.00 0.00 59.36 58.14 1qit h GLU 235 Cb 1.45 0.18 0.00 0.00 -0.84 0.00 0.00 28.75 29.54 1qit h GLU 235 CO 0.10 1.30 0.00 -0.44 -1.40 0.00 0.00 179.01 178.56 1qit h ASP 236 N 0.46 0.00 -0.38 1.42 5.19 -1.42 -2.29 116.42 119.40 1qit h ASP 236 Ca -0.10 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.31 1qit h ASP 236 Cb 1.58 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.09 1qit h ASP 236 CO 0.19 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.31 1qit n ALA 237 N -1.87 2.45 -0.30 3.45 0.00 -1.13 -4.42 120.51 118.68 1qit n ALA 237 Ca 0.01 -0.84 -0.05 0.00 0.00 0.00 0.00 53.44 52.55 1qit n ALA 237 Cb 0.19 -0.97 0.07 0.00 0.00 0.00 0.00 19.45 18.75 1qit n ALA 237 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1qit h GLU 238 N 3.37 1.21 0.11 0.00 5.08 -1.49 -0.71 114.58 122.15 1qit h GLU 238 Ca 0.00 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.15 1qit h GLU 238 Cb 0.75 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1qit h GLU 238 CO 0.00 0.96 -0.05 0.78 -1.00 0.00 0.00 179.01 179.70 1qit h GLY 239 N 1.19 -0.15 1.01 -3.84 0.00 -1.83 -1.22 103.07 98.22 1qit h GLY 239 Ca 0.28 0.06 0.01 0.00 0.00 0.00 0.00 47.33 47.67 1qit h GLY 239 CO -0.03 -0.05 0.59 -2.00 0.00 0.00 0.00 176.54 175.05 1qit h LEU 240 N -0.28 1.02 -1.26 3.11 5.85 -1.80 -2.17 115.31 119.78 1qit h LEU 240 Ca -0.01 -0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.60 1qit h LEU 240 Cb 0.23 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 1qit h LEU 240 CO 0.02 0.74 -0.35 0.03 -0.34 0.00 0.00 178.44 178.54 1qit h ARG 241 N 1.20 0.03 -0.49 1.25 3.08 -1.05 0.17 114.38 118.57 1qit h ARG 241 Ca 0.33 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.34 1qit h ARG 241 Cb -0.14 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 29.89 1qit h ARG 241 CO -0.07 0.38 0.22 0.00 -1.07 0.00 0.00 179.97 179.43 1qit h ALA 242 N 1.62 0.64 -0.38 0.04 0.00 -0.61 -2.59 119.26 117.97 1qit h ALA 242 Ca 0.00 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 1qit h ALA 242 Cb 0.64 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1qit h ALA 242 CO 0.05 0.22 -0.15 0.74 0.00 0.00 0.00 179.25 180.11 1qit h PHE 243 N 0.65 0.88 -0.24 0.00 -1.00 -0.83 -3.21 116.94 113.19 1qit h PHE 243 Ca 0.17 -0.21 0.00 0.00 2.81 0.00 0.00 57.97 60.74 1qit h PHE 243 Cb 0.15 -0.21 -0.01 0.00 3.61 0.00 0.00 35.95 39.49 1qit h PHE 243 CO -0.00 0.93 0.16 0.00 -1.61 0.00 0.00 178.31 177.79 1qit h ALA 244 N 0.81 1.83 0.00 2.45 0.00 -0.46 -1.69 119.26 122.20 1qit h ALA 244 Ca 0.09 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 1qit h ALA 244 Cb 0.68 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1qit h ALA 244 CO 0.05 0.16 -0.47 0.00 0.00 0.00 0.00 179.25 178.98 1qit h ALA 245 N 1.85 1.14 0.00 0.00 0.00 -1.46 -3.32 119.26 117.46 1qit h ALA 245 Ca 0.09 -0.43 -0.23 0.00 0.00 0.00 0.00 54.91 54.34 1qit h ALA 245 Cb -0.04 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 1qit h ALA 245 CO -0.02 0.59 -1.75 -1.33 0.00 0.00 0.00 179.25 176.74 1qit n MET 246 N -3.87 0.64 -3.49 0.00 2.81 -0.69 -4.98 117.12 107.54 1qit n MET 246 Ca -0.01 0.16 -0.37 0.00 -1.81 0.00 0.00 57.70 55.67 1qit n MET 246 Cb 0.51 -1.72 -0.06 0.00 -0.71 0.00 0.00 33.22 31.24 1qit n MET 246 CO 0.00 0.00 0.00 -1.01 1.51 0.00 0.00 175.97 176.47 1qit s HIS 247 N -2.79 3.68 -0.13 2.03 3.76 -0.87 -4.97 115.29 115.99 1qit s HIS 247 Ca -0.05 0.96 0.16 0.00 -0.15 0.00 0.00 55.06 55.97 1qit s HIS 247 Cb 0.08 -2.27 -0.04 0.00 1.11 0.00 0.00 32.58 31.46 1qit s HIS 247 CO 0.83 0.58 1.14 0.87 -0.85 0.00 0.00 174.74 177.30 1qit h LYS 248 N 4.26 0.00 -4.19 1.40 1.57 -1.91 -3.47 116.57 114.23 1qit h LYS 248 Ca -0.50 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.02 1qit h LYS 248 Cb 1.21 0.00 -0.24 0.00 0.08 0.00 0.00 32.23 33.27 1qit h LYS 248 CO 0.63 0.41 -0.73 -1.21 -0.57 0.00 0.00 179.45 177.98 1qit s GLU 249 N -2.95 0.34 -0.15 3.15 2.02 -1.26 -1.91 118.70 117.95 1qit s GLU 249 Ca 0.01 -0.42 -0.33 0.00 0.02 0.00 0.00 54.97 54.25 1qit s GLU 249 Cb 0.08 -0.17 0.13 0.00 0.10 0.00 0.00 34.13 34.28 1qit s GLU 249 CO 0.78 0.03 1.12 -0.48 0.02 0.00 0.00 175.26 176.73 1qit s LEU 250 N -0.85 -0.21 0.01 1.80 0.05 -0.95 -4.49 118.68 114.04 1qit s LEU 250 Ca -0.06 0.04 0.04 0.00 0.05 0.00 0.00 54.13 54.20 1qit s LEU 250 Cb -0.06 1.57 -0.01 0.00 -2.05 0.00 0.00 46.19 45.63 1qit s LEU 250 CO -0.00 -0.33 -0.13 0.27 -0.55 0.00 0.00 176.35 175.62 1qit s ILE 251 N -2.39 1.00 -0.10 1.48 -5.25 -1.01 -0.57 121.20 114.35 1qit s ILE 251 Ca 0.07 -0.72 0.02 0.00 -0.99 0.00 0.00 60.65 59.03 1qit s ILE 251 Cb -0.01 -0.87 0.01 0.00 2.95 0.00 0.00 42.46 44.54 1qit s ILE 251 CO -0.05 0.14 -0.16 -0.69 -1.79 0.00 0.00 174.94 172.39 1qit s VAL 252 N -0.54 1.52 -0.41 8.37 1.01 0.31 -1.32 120.40 129.35 1qit s VAL 252 Ca 0.03 -0.67 -0.07 0.00 0.00 0.00 0.00 61.98 61.27 1qit s VAL 252 Cb -0.06 -1.38 0.09 0.00 0.00 0.00 0.00 36.38 35.03 1qit s VAL 252 CO 0.00 0.44 0.23 0.00 0.00 0.00 0.00 175.10 175.77 1qit s ALA 253 N 0.85 3.21 0.27 5.51 0.00 0.18 -0.07 121.76 131.71 1qit s ALA 253 Ca -0.09 -2.25 0.08 0.00 0.00 0.00 0.00 51.96 49.70 1qit s ALA 253 Cb -0.15 -2.53 -0.04 0.00 0.00 0.00 0.00 23.12 20.40 1qit s ALA 253 CO 0.01 -1.67 0.09 -1.54 0.00 0.00 0.00 175.76 172.64 1qit s SER 254 N 2.01 4.94 0.02 0.00 1.04 0.73 -1.24 113.70 121.19 1qit s SER 254 Ca 0.04 -0.50 0.04 0.00 0.48 0.00 0.00 55.95 56.00 1qit s SER 254 Cb -0.23 -1.05 -0.02 0.00 0.10 0.00 0.00 66.02 64.82 1qit s SER 254 CO -0.00 -0.04 -0.12 -0.55 0.98 0.00 0.00 173.24 173.51 1qit s SER 255 N -3.76 1.40 -0.03 7.02 0.15 -0.76 -1.09 113.70 116.63 1qit s SER 255 Ca 0.33 -0.37 0.08 0.00 0.70 0.00 0.00 55.95 56.69 1qit s SER 255 Cb -0.07 -0.10 0.21 0.00 -1.71 0.00 0.00 66.02 64.35 1qit s SER 255 CO 0.22 0.04 1.16 -1.22 1.20 0.00 0.00 173.24 174.64 1qit n TYR 256 N 2.19 0.29 -0.19 3.44 4.01 -0.19 -4.73 117.16 121.98 1qit n TYR 256 Ca -0.17 -0.58 -0.07 0.00 -0.16 0.00 0.00 57.90 56.92 1qit n TYR 256 Cb 0.55 -0.07 0.03 0.00 -0.31 0.00 0.00 39.34 39.53 1qit n TYR 256 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 1qit h SER 257 N 1.05 0.67 0.06 7.72 0.02 -1.86 -2.97 113.55 118.24 1qit h SER 257 Ca 0.00 -0.07 -0.27 0.00 -0.84 0.00 0.00 61.79 60.61 1qit h SER 257 Cb 0.74 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 63.08 1qit h SER 257 CO 0.02 0.54 -1.46 0.11 -1.14 0.00 0.00 176.83 174.91 1qit h LYS 258 N 0.74 0.12 0.00 3.45 1.57 -1.85 -0.22 116.57 120.39 1qit h LYS 258 Ca 0.20 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1qit h LYS 258 Cb 0.00 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1qit h LYS 258 CO -0.04 1.10 0.00 0.27 -0.57 0.00 0.00 179.45 180.22 1qit n ASN 259 N -4.07 0.40 -0.02 0.86 0.23 -1.26 -2.64 115.26 108.76 1qit n ASN 259 Ca -0.30 0.58 0.00 0.00 -0.53 0.00 0.00 54.58 54.33 1qit n ASN 259 Cb 0.82 -0.67 0.00 0.00 -2.08 0.00 0.00 39.78 37.85 1qit n ASN 259 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 1qit n PHE 260 N -1.92 0.00 -3.41 -2.53 3.01 -1.12 -4.82 117.46 106.66 1qit n PHE 260 Ca 0.04 -0.06 -0.25 0.00 1.01 0.00 0.00 57.45 58.19 1qit n PHE 260 Cb 0.26 -0.01 0.03 0.00 -0.01 0.00 0.00 39.48 39.75 1qit n PHE 260 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1qit n GLY 261 N -0.03 -0.51 1.49 1.37 0.00 -1.06 -4.68 105.19 101.76 1qit n GLY 261 Ca 0.00 0.15 -0.06 0.00 0.00 0.00 0.00 46.02 46.11 1qit n GLY 261 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1qit n LEU 262 N -4.21 4.99 -0.17 0.99 4.77 -0.13 -4.75 117.00 118.50 1qit n LEU 262 Ca -0.03 -3.48 -0.04 0.00 -0.03 0.00 0.00 56.01 52.42 1qit n LEU 262 Cb 0.57 -0.68 -0.04 0.00 -2.33 0.00 0.00 43.42 40.94 1qit n LEU 262 CO 0.58 1.01 0.24 -1.22 -1.33 0.00 0.00 177.39 176.67 1qit n TYR 263 N -0.81 -0.17 1.61 -1.77 4.01 -1.01 -1.26 117.16 117.75 1qit n TYR 263 Ca 0.38 0.50 0.14 0.00 -0.16 0.00 0.00 57.90 58.76 1qit n TYR 263 Cb 1.21 -0.48 0.80 0.00 -0.31 0.00 0.00 39.34 40.56 1qit n TYR 263 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 1qit n ASN 264 N -4.18 0.00 0.02 7.72 0.23 -1.26 -3.31 115.26 114.48 1qit n ASN 264 Ca 0.01 -0.54 0.12 0.00 -0.53 0.00 0.00 54.58 53.63 1qit n ASN 264 Cb 0.10 -0.14 0.22 0.00 -2.08 0.00 0.00 39.78 37.88 1qit n ASN 264 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1qit n GLU 265 N -1.14 0.11 -2.93 -3.83 -0.58 -0.39 -5.01 120.64 106.88 1qit n GLU 265 Ca 0.18 0.03 -0.11 0.00 -0.42 0.00 0.00 57.16 56.84 1qit n GLU 265 Cb 0.16 -1.56 0.01 0.00 -0.57 0.00 0.00 31.44 29.48 1qit n GLU 265 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1qit n ARG 266 N -1.72 -2.29 -4.05 3.49 5.12 -1.21 -4.40 116.66 111.59 1qit n ARG 266 Ca 0.05 2.03 -0.32 0.00 -1.93 0.00 0.00 57.85 57.68 1qit n ARG 266 Cb 0.38 -5.34 -0.15 0.00 -1.16 0.00 0.00 32.46 26.19 1qit n ARG 266 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1qit s VAL 267 N -2.52 1.99 0.38 1.55 1.01 -1.26 -2.68 120.40 118.87 1qit s VAL 267 Ca 0.25 -1.37 -0.09 0.00 0.00 0.00 0.00 61.98 60.77 1qit s VAL 267 Cb -0.06 -2.06 0.04 0.00 0.00 0.00 0.00 36.38 34.29 1qit s VAL 267 CO 0.78 0.09 0.67 -0.83 0.00 0.00 0.00 175.10 175.81 1qit s GLY 268 N 1.21 0.93 -0.10 4.51 0.00 -0.86 -1.02 107.32 112.00 1qit s GLY 268 Ca -0.05 -1.14 -0.16 0.00 0.00 0.00 0.00 44.72 43.38 1qit s GLY 268 CO -0.07 -0.63 0.39 0.00 0.00 0.00 0.00 173.10 172.79 1qit s ALA 269 N -2.46 -0.99 -0.27 3.20 0.00 -0.25 -1.45 121.76 119.54 1qit s ALA 269 Ca 0.22 0.87 -0.01 0.00 0.00 0.00 0.00 51.96 53.05 1qit s ALA 269 Cb -0.03 -0.36 0.04 0.00 0.00 0.00 0.00 23.12 22.78 1qit s ALA 269 CO 0.16 -0.23 -0.05 0.00 0.00 0.00 0.00 175.76 175.65 1qit s THR 271 N 1.24 4.15 -0.22 0.00 2.01 0.91 -1.40 115.64 122.34 1qit s THR 271 Ca -0.04 -0.24 -0.08 0.00 0.31 0.00 0.00 61.69 61.64 1qit s THR 271 Cb -0.19 -2.91 -0.04 0.00 0.01 0.00 0.00 72.50 69.37 1qit s THR 271 CO -0.03 0.39 0.09 -0.22 -0.69 0.00 0.00 174.62 174.16 1qit s LEU 272 N 1.26 3.80 -0.11 4.42 0.20 -0.27 -0.53 118.68 127.46 1qit s LEU 272 Ca 0.04 0.01 0.04 0.00 0.69 0.00 0.00 54.13 54.91 1qit s LEU 272 Cb -0.15 -1.99 0.00 0.00 -0.43 0.00 0.00 46.19 43.62 1qit s LEU 272 CO 0.02 0.09 -0.23 -0.69 -0.29 0.00 0.00 176.35 175.25 1qit s VAL 273 N 0.89 2.09 0.41 1.68 1.01 0.26 -1.35 120.40 125.40 1qit s VAL 273 Ca 0.05 -1.00 0.03 0.00 0.00 0.00 0.00 61.98 61.06 1qit s VAL 273 Cb -0.14 -1.80 -0.03 0.00 0.00 0.00 0.00 36.38 34.41 1qit s VAL 273 CO 0.03 0.56 0.08 0.00 0.00 0.00 0.00 175.10 175.76 1qit s ALA 274 N 0.41 3.09 0.50 5.51 0.00 -0.52 -2.24 121.76 128.50 1qit s ALA 274 Ca -0.17 -1.29 0.20 0.00 0.00 0.00 0.00 51.96 50.70 1qit s ALA 274 Cb -0.18 0.53 1.33 0.00 0.00 0.00 0.00 23.12 24.80 1qit s ALA 274 CO 0.07 -0.25 2.11 0.00 0.00 0.00 0.00 175.76 177.70 1qit h ALA 275 N 1.76 1.70 -2.86 0.00 0.00 -1.69 -3.44 119.26 114.71 1qit h ALA 275 Ca -0.39 -0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.31 1qit h ALA 275 Cb 1.27 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.97 1qit h ALA 275 CO 0.65 0.10 -0.14 0.16 0.00 0.00 0.00 179.25 180.02 1qit s ASP 276 N -6.72 0.27 0.18 0.00 1.47 -1.26 -5.00 116.67 105.60 1qit s ASP 276 Ca -0.04 -1.16 -0.14 0.00 1.18 0.00 0.00 52.55 52.39 1qit s ASP 276 Cb 0.16 0.62 0.09 0.00 -0.34 0.00 0.00 42.92 43.45 1qit s ASP 276 CO 0.64 -1.23 1.82 -1.28 0.68 0.00 0.00 175.17 175.81 1qit h SER 277 N 2.20 0.54 -0.49 2.11 0.87 -1.74 -0.97 113.55 116.07 1qit h SER 277 Ca -0.28 -0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.24 1qit h SER 277 Cb 1.25 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 63.07 1qit h SER 277 CO 0.38 0.38 0.16 -0.08 -0.53 0.00 0.00 176.83 177.15 1qit h GLU 278 N 0.65 0.76 -0.11 2.24 4.22 -1.94 -1.24 114.58 119.16 1qit h GLU 278 Ca 0.20 -0.16 -0.10 0.00 0.08 0.00 0.00 59.36 59.39 1qit h GLU 278 Cb -0.01 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.13 1qit h GLU 278 CO -0.08 0.71 -0.32 1.15 -2.18 0.00 0.00 179.01 178.29 1qit h THR 279 N 0.66 1.39 -0.28 0.32 2.02 -1.94 -2.54 112.91 112.54 1qit h THR 279 Ca 0.16 -1.64 -0.07 0.00 0.77 0.00 0.00 66.41 65.63 1qit h THR 279 Cb 0.25 2.15 -0.02 0.00 -1.74 0.00 0.00 68.15 68.80 1qit h THR 279 CO -0.01 0.48 -0.12 1.62 0.37 0.00 0.00 175.52 177.86 1qit h VAL 280 N -0.02 1.23 -0.18 3.16 3.04 -1.14 0.50 116.25 122.84 1qit h VAL 280 Ca -0.01 -1.00 -0.13 0.00 -1.01 0.00 0.00 66.70 64.55 1qit h VAL 280 Cb 0.94 1.15 -0.01 0.00 -2.01 0.00 0.00 31.29 31.36 1qit h VAL 280 CO 0.07 0.33 -0.46 0.44 -1.01 0.00 0.00 177.57 176.94 1qit h ASP 281 N 0.44 0.48 -0.19 3.17 3.32 -1.18 0.11 116.42 122.57 1qit h ASP 281 Ca 0.08 -0.23 -0.12 0.00 0.02 0.00 0.00 57.03 56.79 1qit h ASP 281 Cb 0.48 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.90 1qit h ASP 281 CO 0.03 0.88 -0.34 -0.09 -1.72 0.00 0.00 179.24 177.99 1qit h ARG 282 N 0.36 0.57 -0.47 3.56 2.43 -1.03 -2.13 114.38 117.67 1qit h ARG 282 Ca 0.02 -0.36 -0.08 0.00 -0.81 0.00 0.00 59.98 58.76 1qit h ARG 282 Cb 0.95 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.52 1qit h ARG 282 CO 0.08 0.97 -0.03 0.00 -1.51 0.00 0.00 179.97 179.48 1qit h ALA 283 N 0.60 1.06 -0.04 2.80 0.00 -0.78 -2.74 119.26 120.15 1qit h ALA 283 Ca 0.01 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 1qit h ALA 283 Cb 0.93 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1qit h ALA 283 CO 0.08 0.59 -0.26 0.35 0.00 0.00 0.00 179.25 180.00 1qit h PHE 284 N 0.74 0.07 -0.43 0.00 3.57 -0.67 -2.49 116.94 117.75 1qit h PHE 284 Ca 0.14 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.61 1qit h PHE 284 Cb 0.50 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.20 1qit h PHE 284 CO 0.03 0.33 0.19 0.66 -2.23 0.00 0.00 178.31 177.29 1qit h SER 285 N 0.06 0.54 0.54 0.41 4.64 -1.06 -0.22 113.55 118.46 1qit h SER 285 Ca 0.01 -0.05 -0.19 0.00 -0.47 0.00 0.00 61.79 61.09 1qit h SER 285 Cb 0.50 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.44 1qit h SER 285 CO 0.04 0.47 -0.83 1.56 -0.87 0.00 0.00 176.83 177.20 1qit h GLN 286 N 0.60 0.21 -0.64 4.77 1.08 -1.51 -2.38 115.11 117.24 1qit h GLN 286 Ca 0.15 -0.21 -0.05 0.00 -1.45 0.00 0.00 58.65 57.10 1qit h GLN 286 Cb 0.08 0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.54 1qit h GLN 286 CO -0.02 0.92 0.22 1.98 -0.95 0.00 0.00 178.83 180.98 1qit h MET 287 N 0.12 0.98 -0.52 1.46 4.05 -1.00 -1.69 114.93 118.33 1qit h MET 287 Ca -0.04 -0.20 -0.03 0.00 -0.28 0.00 0.00 59.70 59.16 1qit h MET 287 Cb 1.44 -0.15 -0.03 0.00 -0.80 0.00 0.00 31.60 32.06 1qit h MET 287 CO 0.13 0.85 0.21 0.87 0.23 0.00 0.00 176.91 179.19 1qit h LYS 288 N 0.91 0.75 -0.24 0.39 1.57 -0.99 -2.12 116.57 116.84 1qit h LYS 288 Ca 0.21 -0.11 -0.09 0.00 -1.87 0.00 0.00 60.65 58.79 1qit h LYS 288 Cb 0.26 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 1qit h LYS 288 CO -0.01 0.62 -0.23 0.00 -0.57 0.00 0.00 179.45 179.26 1qit h ALA 289 N 1.49 1.16 -0.26 3.86 0.00 -0.92 -1.84 119.26 122.76 1qit h ALA 289 Ca 0.18 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 1qit h ALA 289 Cb 0.15 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1qit h ALA 289 CO -0.02 0.53 -0.27 0.00 0.00 0.00 0.00 179.25 179.50 1qit h ALA 290 N 1.36 1.05 -0.20 0.00 0.00 -0.72 -2.77 119.26 117.99 1qit h ALA 290 Ca 0.06 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 1qit h ALA 290 Cb 0.62 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1qit h ALA 290 CO 0.04 0.58 -0.09 0.82 0.00 0.00 0.00 179.25 180.60 1qit h ILE 291 N 0.45 1.31 -0.65 0.00 2.04 -1.12 -3.03 117.51 116.49 1qit h ILE 291 Ca 0.06 -1.15 0.06 0.00 1.00 0.00 0.00 64.86 64.83 1qit h ILE 291 Cb 0.70 1.64 -0.04 0.00 -0.74 0.00 0.00 36.82 38.38 1qit h ILE 291 CO 0.05 0.35 0.43 -0.09 0.00 0.00 0.00 178.15 178.89 1qit h ARG 292 N 0.11 0.65 -0.05 2.37 9.65 -1.26 -0.53 114.38 125.32 1qit h ARG 292 Ca 0.04 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.89 1qit h ARG 292 Cb 0.58 -0.15 0.00 0.00 -1.39 0.00 0.00 29.97 29.01 1qit h ARG 292 CO 0.03 0.43 0.00 0.00 2.80 0.00 0.00 179.97 183.23 1qit n ALA 293 N -2.46 2.59 -0.54 2.80 0.00 -1.05 -3.60 120.51 118.25 1qit n ALA 293 Ca 0.09 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1qit n ALA 293 Cb 0.22 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.41 1qit n ALA 293 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1qit n ASN 294 N -0.32 0.00 0.00 0.00 2.85 -0.29 -4.95 115.26 112.56 1qit n ASN 294 Ca 0.18 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.65 1qit n ASN 294 Cb 0.21 -0.09 0.00 0.00 1.24 0.00 0.00 39.78 41.14 1qit n ASN 294 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1qit n TYR 295 N -1.80 0.00 0.00 1.20 0.18 -0.72 -5.05 117.16 110.97 1qit n TYR 295 Ca 0.00 -0.34 0.00 0.00 1.88 0.00 0.00 57.90 59.44 1qit n TYR 295 Cb 0.00 -0.03 0.00 0.00 -0.38 0.00 0.00 39.34 38.93 1qit n TYR 295 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 1qit n SER 296 N -0.34 0.00 -3.62 9.48 2.88 -0.86 -4.78 113.62 116.39 1qit n SER 296 Ca 0.00 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.42 1qit n SER 296 Cb 0.29 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.71 1qit n SER 296 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1qit s ASN 297 N 0.00 -0.30 0.55 -3.46 4.22 -1.26 -4.17 114.94 110.52 1qit s ASN 297 Ca 0.00 -0.15 -0.13 0.00 -2.14 0.00 0.00 52.86 50.44 1qit s ASN 297 Cb 0.00 0.47 -0.06 0.00 1.28 0.00 0.00 41.25 42.95 1qit s ASN 297 CO 0.00 -0.80 0.98 -2.16 -2.04 0.00 0.00 177.10 173.08 1qit s PRO 298 N -3.28 3.75 0.01 3.55 0.04 -1.26 -5.02 135.00 132.78 1qit s PRO 298 Ca -0.00 0.78 -0.30 0.00 0.04 0.00 0.00 61.00 61.51 1qit s PRO 298 Cb 0.01 -2.14 -0.06 0.00 0.04 0.00 0.00 34.50 32.34 1qit s PRO 298 CO -0.08 -0.39 1.48 -1.25 0.04 0.00 0.00 177.00 176.80 1qit s PRO 299 N -4.61 4.25 0.14 0.56 0.04 -1.26 -4.81 135.00 129.31 1qit s PRO 299 Ca 0.56 2.06 -0.12 0.00 0.04 0.00 0.00 61.00 63.53 1qit s PRO 299 Cb -0.10 -3.61 0.00 0.00 0.04 0.00 0.00 34.50 30.82 1qit s PRO 299 CO 0.43 -0.64 1.57 0.00 0.04 0.00 0.00 177.00 178.40 1qit h ALA 300 N 8.09 0.63 -0.14 8.56 0.00 -1.95 -3.38 119.26 131.06 1qit h ALA 300 Ca -0.39 -0.31 0.03 0.00 0.00 0.00 0.00 54.91 54.24 1qit h ALA 300 Cb 1.18 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.75 1qit h ALA 300 CO 0.91 0.48 -0.44 1.25 0.00 0.00 0.00 179.25 181.45 1qit h HIS 301 N 0.70 -1.33 -0.74 0.00 -0.00 -1.92 0.07 115.15 111.92 1qit h HIS 301 Ca 0.12 0.05 0.01 0.00 -0.00 0.00 0.00 60.37 60.55 1qit h HIS 301 Cb 0.59 0.60 -0.04 0.00 -0.00 0.00 0.00 27.41 28.56 1qit h HIS 301 CO 0.04 -0.44 0.48 0.78 -0.00 0.00 0.00 177.93 178.80 1qit h GLY 302 N -0.45 1.04 1.55 5.26 0.00 -1.77 -1.53 103.07 107.17 1qit h GLY 302 Ca 0.03 -0.39 -0.11 0.00 0.00 0.00 0.00 47.33 46.86 1qit h GLY 302 CO -0.38 0.39 -0.29 0.00 0.00 0.00 0.00 176.54 176.26 1qit h ALA 303 N 1.27 1.02 0.00 3.60 0.00 -1.68 -1.66 119.26 121.80 1qit h ALA 303 Ca 0.27 -0.37 -0.15 0.00 0.00 0.00 0.00 54.91 54.66 1qit h ALA 303 Cb -0.11 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1qit h ALA 303 CO -0.06 0.59 -0.71 0.66 0.00 0.00 0.00 179.25 179.73 1qit h SER 304 N 0.45 0.00 -0.13 0.00 4.64 -0.71 -1.42 113.55 116.38 1qit h SER 304 Ca 0.06 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1qit h SER 304 Cb 0.74 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.82 1qit h SER 304 CO 0.06 0.71 0.07 0.58 -0.87 0.00 0.00 176.83 177.38 1qit h VAL 305 N 0.00 1.10 -0.50 0.95 2.07 -0.93 -0.47 116.25 118.47 1qit h VAL 305 Ca -0.01 -0.27 0.02 0.00 0.82 0.00 0.00 66.70 67.26 1qit h VAL 305 Cb 1.27 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 32.04 1qit h VAL 305 CO 0.09 0.09 0.31 0.58 0.02 0.00 0.00 177.57 178.66 1qit h VAL 306 N 0.11 1.08 -0.67 2.57 2.07 -1.19 -1.73 116.25 118.49 1qit h VAL 306 Ca 0.05 -0.22 -0.05 0.00 0.82 0.00 0.00 66.70 67.30 1qit h VAL 306 Cb 0.08 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.22 1qit h VAL 306 CO -0.01 0.12 0.24 0.00 0.02 0.00 0.00 177.57 177.94 1qit h ALA 307 N 1.21 0.88 -0.25 1.67 0.00 -1.14 -1.27 119.26 120.35 1qit h ALA 307 Ca 0.19 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1qit h ALA 307 Cb -0.02 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1qit h ALA 307 CO -0.07 0.52 0.14 1.15 0.00 0.00 0.00 179.25 181.00 1qit h THR 308 N 0.97 1.02 -0.30 0.00 2.02 -0.70 -0.08 112.91 115.84 1qit h THR 308 Ca 0.22 -0.10 -0.07 0.00 0.77 0.00 0.00 66.41 67.23 1qit h THR 308 Cb 0.25 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 1qit h THR 308 CO -0.01 0.05 -0.07 0.40 0.37 0.00 0.00 175.52 176.26 1qit h ILE 309 N 0.30 1.28 0.00 3.11 2.04 -1.23 -2.00 117.51 121.00 1qit h ILE 309 Ca 0.10 -1.11 -0.07 0.00 1.00 0.00 0.00 64.86 64.78 1qit h ILE 309 Cb 0.00 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 1qit h ILE 309 CO -0.05 0.35 -0.36 -0.07 0.00 0.00 0.00 178.15 178.03 1qit h LEU 310 N 0.34 0.00 0.00 1.44 3.38 -1.09 -2.94 115.31 116.45 1qit h LEU 310 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1qit h LEU 310 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1qit h LEU 310 CO 0.03 0.36 -0.52 0.28 0.09 0.00 0.00 178.44 178.68 1qit h SER 311 N 0.00 0.00 -3.56 -0.43 0.02 -0.91 -3.45 113.55 105.22 1qit h SER 311 Ca -0.00 -0.04 -0.65 0.00 -0.84 0.00 0.00 61.79 60.26 1qit h SER 311 Cb 0.83 0.00 -0.23 0.00 0.14 0.00 0.00 62.40 63.15 1qit h SER 311 CO 0.05 0.02 -0.63 0.21 -1.14 0.00 0.00 176.83 175.33 1qit s ASN 312 N -5.38 5.05 0.35 3.07 3.84 -0.76 -5.02 114.94 116.09 1qit s ASN 312 Ca 0.04 -0.20 0.02 0.00 0.21 0.00 0.00 52.86 52.94 1qit s ASN 312 Cb 0.09 -1.89 0.62 0.00 -0.55 0.00 0.00 41.25 39.52 1qit s ASN 312 CO 0.72 -0.00 1.98 0.44 -2.79 0.00 0.00 177.10 177.45 1qit h ASP 313 N 7.98 0.69 -0.07 -4.21 3.32 -1.86 0.24 116.42 122.51 1qit h ASP 313 Ca -0.38 -0.04 -0.08 0.00 0.02 0.00 0.00 57.03 56.55 1qit h ASP 313 Cb 1.17 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.55 1qit h ASP 313 CO 0.59 0.54 -0.29 0.00 -1.72 0.00 0.00 179.24 178.37 1qit h ALA 314 N 1.57 0.13 -0.29 3.45 0.00 -1.95 -2.02 119.26 120.15 1qit h ALA 314 Ca 0.20 -0.43 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 1qit h ALA 314 Cb -0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1qit h ALA 314 CO -0.04 0.16 -0.08 -0.07 0.00 0.00 0.00 179.25 179.22 1qit h LEU 315 N -0.19 0.45 -0.39 0.00 4.07 -1.78 -2.35 115.31 115.13 1qit h LEU 315 Ca -0.02 -0.10 -0.18 0.00 0.08 0.00 0.00 57.88 57.66 1qit h LEU 315 Cb 0.93 -0.12 -0.00 0.00 1.08 0.00 0.00 40.66 42.55 1qit h LEU 315 CO 0.06 0.58 -0.68 -0.09 -1.08 0.00 0.00 178.44 177.23 1qit h ARG 316 N 0.45 0.53 -0.66 1.13 2.43 -0.34 -2.15 114.38 115.76 1qit h ARG 316 Ca 0.09 -0.40 -0.06 0.00 -0.81 0.00 0.00 59.98 58.80 1qit h ARG 316 Cb 0.42 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.02 1qit h ARG 316 CO 0.02 1.02 0.17 0.00 -1.51 0.00 0.00 179.97 179.67 1qit h ALA 317 N 0.87 0.87 -0.10 2.80 0.00 -1.12 -1.37 119.26 121.20 1qit h ALA 317 Ca -0.02 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1qit h ALA 317 Cb 1.26 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 1qit h ALA 317 CO 0.13 0.58 0.02 0.82 0.00 0.00 0.00 179.25 180.79 1qit h ILE 318 N 0.98 1.22 -0.21 0.00 2.04 -1.32 -2.76 117.51 117.46 1qit h ILE 318 Ca 0.21 -0.69 0.02 0.00 1.00 0.00 0.00 64.86 65.40 1qit h ILE 318 Cb 0.36 1.48 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 1qit h ILE 318 CO 0.00 0.20 0.07 -0.25 0.00 0.00 0.00 178.15 178.17 1qit h TRP 319 N -0.06 0.12 -0.77 1.37 7.01 -1.33 -1.11 115.95 121.18 1qit h TRP 319 Ca 0.03 0.01 0.10 0.00 2.11 0.00 0.00 58.89 61.14 1qit h TRP 319 Cb 0.30 -0.02 -0.05 0.00 -2.10 0.00 0.00 29.16 27.28 1qit h TRP 319 CO 0.02 0.06 0.51 0.93 -2.79 0.00 0.00 178.44 177.16 1qit h GLU 320 N 0.17 0.66 -0.22 2.65 5.08 -1.24 0.39 114.58 122.06 1qit h GLU 320 Ca 0.09 -0.04 -0.20 0.00 -1.00 0.00 0.00 59.36 58.22 1qit h GLU 320 Cb 0.06 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.17 1qit h GLU 320 CO -0.10 0.43 -0.64 0.37 -1.00 0.00 0.00 179.01 178.08 1qit h GLN 321 N 0.68 0.79 -0.86 2.33 5.75 -1.08 -1.52 115.11 121.19 1qit h GLN 321 Ca 0.36 -0.55 -0.02 0.00 -0.15 0.00 0.00 58.65 58.29 1qit h GLN 321 Cb 0.49 0.09 -0.04 0.00 1.07 0.00 0.00 27.48 29.08 1qit h GLN 321 CO -0.13 1.18 0.46 0.93 -2.65 0.00 0.00 178.83 178.61 1qit h GLU 322 N 0.58 1.20 -0.47 1.69 5.08 0.03 0.72 114.58 123.41 1qit h GLU 322 Ca -0.01 -0.14 -0.13 0.00 -1.00 0.00 0.00 59.36 58.07 1qit h GLU 322 Cb 1.24 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 1qit h GLU 322 CO 0.13 0.89 -0.23 1.25 -1.00 0.00 0.00 179.01 180.05 1qit h LEU 323 N 1.20 1.01 -1.00 1.33 5.85 -0.93 -1.75 115.31 121.03 1qit h LEU 323 Ca 0.30 -0.39 -0.03 0.00 0.84 0.00 0.00 57.88 58.60 1qit h LEU 323 Cb 0.04 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.76 1qit h LEU 323 CO -0.05 1.19 0.38 0.74 -0.34 0.00 0.00 178.44 180.36 1qit h THR 324 N 0.85 1.24 -0.66 1.05 2.02 -0.75 -0.85 112.91 115.80 1qit h THR 324 Ca 0.11 -0.65 -0.09 0.00 0.77 0.00 0.00 66.41 66.55 1qit h THR 324 Cb 0.81 0.25 -0.03 0.00 -1.74 0.00 0.00 68.15 67.44 1qit h THR 324 CO 0.07 0.28 0.08 0.44 0.37 0.00 0.00 175.52 176.76 1qit h ASP 325 N 1.08 1.07 -0.23 4.18 3.32 -0.54 -0.68 116.42 124.63 1qit h ASP 325 Ca 0.27 -0.27 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1qit h ASP 325 Cb 0.09 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 1qit h ASP 325 CO -0.04 1.08 0.08 0.24 -1.72 0.00 0.00 179.24 178.88 1qit h MET 326 N 1.03 0.35 -0.01 3.56 2.86 -0.77 -0.54 114.93 121.41 1qit h MET 326 Ca 0.20 -0.07 0.02 0.00 -2.06 0.00 0.00 59.70 57.78 1qit h MET 326 Cb 0.48 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.06 1qit h MET 326 CO 0.02 0.43 -0.10 -0.09 1.06 0.00 0.00 176.91 178.23 1qit h ARG 327 N 0.21 -0.16 -0.64 1.72 2.43 -1.00 -1.82 114.38 115.12 1qit h ARG 327 Ca 0.08 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.22 1qit h ARG 327 Cb 0.22 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.77 1qit h ARG 327 CO -0.00 -0.11 0.27 1.96 -1.51 0.00 0.00 179.97 180.58 1qit h GLN 328 N -0.16 0.94 -0.77 0.20 4.20 -1.06 -2.10 115.11 116.35 1qit h GLN 328 Ca 0.04 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.59 1qit h GLN 328 Cb 0.22 -0.16 -0.04 0.00 0.30 0.00 0.00 27.48 27.81 1qit h GLN 328 CO -0.11 0.78 0.48 -0.09 -0.67 0.00 0.00 178.83 179.23 1qit h ARG 329 N 0.89 1.03 -0.66 1.46 2.43 -0.87 -1.50 114.38 117.17 1qit h ARG 329 Ca 0.21 -0.08 -0.02 0.00 -0.81 0.00 0.00 59.98 59.28 1qit h ARG 329 Cb 0.18 -0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 29.48 1qit h ARG 329 CO -0.02 0.71 0.32 0.82 -1.51 0.00 0.00 179.97 180.30 1qit h ILE 330 N 1.05 1.22 -0.75 1.20 2.04 -1.08 -1.82 117.51 119.37 1qit h ILE 330 Ca 0.28 -0.61 0.05 0.00 1.00 0.00 0.00 64.86 65.58 1qit h ILE 330 Cb -0.07 0.41 -0.05 0.00 -0.74 0.00 0.00 36.82 36.37 1qit h ILE 330 CO -0.06 0.25 0.46 1.56 0.00 0.00 0.00 178.15 180.36 1qit h GLN 331 N 0.91 0.84 -0.66 2.37 4.20 -0.87 -1.30 115.11 120.58 1qit h GLN 331 Ca 0.23 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.85 1qit h GLN 331 Cb 0.10 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 27.67 1qit h GLN 331 CO -0.03 0.55 0.27 0.00 -0.67 0.00 0.00 178.83 178.95 1qit h ARG 332 N 0.86 0.99 -0.22 1.46 3.08 -0.92 -2.86 114.38 116.77 1qit h ARG 332 Ca 0.32 -0.18 -0.07 0.00 0.07 0.00 0.00 59.98 60.12 1qit h ARG 332 Cb 0.10 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 1qit h ARG 332 CO -0.15 0.83 -0.16 0.52 -1.07 0.00 0.00 179.97 179.94 1qit h MET 333 N 0.94 0.38 0.07 0.04 2.86 -0.68 -1.25 114.93 117.28 1qit h MET 333 Ca 0.22 -0.11 -0.00 0.00 -2.06 0.00 0.00 59.70 57.75 1qit h MET 333 Cb 0.20 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.82 1qit h MET 333 CO -0.02 0.54 -0.03 -0.09 1.06 0.00 0.00 176.91 178.37 1qit h ARG 334 N 0.35 -0.09 -0.32 1.72 2.43 -1.05 0.51 114.38 117.94 1qit h ARG 334 Ca 0.06 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1qit h ARG 334 Cb 0.50 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.05 1qit h ARG 334 CO 0.03 0.05 0.20 1.96 -1.51 0.00 0.00 179.97 180.70 1qit h GLN 335 N -0.20 0.42 -0.94 0.20 1.08 -1.42 -2.42 115.11 111.83 1qit h GLN 335 Ca -0.01 -0.03 0.09 0.00 -1.45 0.00 0.00 58.65 57.25 1qit h GLN 335 Cb 0.17 -0.09 -0.07 0.00 -0.05 0.00 0.00 27.48 27.44 1qit h GLN 335 CO 0.02 0.29 0.61 1.25 -0.95 0.00 0.00 178.83 180.04 1qit h LEU 336 N 0.42 0.89 0.05 1.46 6.46 -1.08 -2.18 115.31 121.33 1qit h LEU 336 Ca 0.12 0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 57.90 1qit h LEU 336 Cb -0.03 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 39.74 1qit h LEU 336 CO -0.02 0.53 -0.02 0.15 -0.62 0.00 0.00 178.44 178.45 1qit h PHE 337 N 0.98 -0.06 -0.25 1.25 3.57 -0.51 -1.75 116.94 120.17 1qit h PHE 337 Ca 0.43 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.88 1qit h PHE 337 Cb 0.36 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.10 1qit h PHE 337 CO -0.00 0.24 -0.08 -0.39 -2.23 0.00 0.00 178.31 175.84 1qit h VAL 338 N -0.36 1.20 -0.08 1.41 -1.51 -1.25 -1.13 116.25 114.52 1qit h VAL 338 Ca -0.01 -0.85 -0.04 0.00 -1.23 0.00 0.00 66.70 64.58 1qit h VAL 338 Cb 0.32 1.10 -0.00 0.00 -2.13 0.00 0.00 31.29 30.58 1qit h VAL 338 CO 0.01 0.28 -0.09 0.78 -1.23 0.00 0.00 177.57 177.32 1qit h ASN 339 N 0.38 0.22 -0.12 4.19 -0.26 -1.39 -2.53 115.58 116.07 1qit h ASN 339 Ca 0.08 -0.49 -0.08 0.00 -0.56 0.00 0.00 56.30 55.25 1qit h ASN 339 Cb 0.39 -0.06 -0.02 0.00 -1.06 0.00 0.00 38.32 37.57 1qit h ASN 339 CO 0.02 0.67 -0.15 0.74 -1.06 0.00 0.00 177.43 177.65 1qit h THR 340 N -0.23 1.24 -0.33 2.81 2.02 -1.18 -0.32 112.91 116.91 1qit h THR 340 Ca 0.01 -1.06 -0.04 0.00 0.77 0.00 0.00 66.41 66.09 1qit h THR 340 Cb 0.61 1.19 -0.01 0.00 -1.74 0.00 0.00 68.15 68.19 1qit h THR 340 CO 0.02 0.34 0.06 -0.07 0.37 0.00 0.00 175.52 176.24 1qit h LEU 341 N 0.45 0.52 -0.22 2.58 3.38 -1.21 -1.65 115.31 119.16 1qit h LEU 341 Ca 0.08 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 57.80 1qit h LEU 341 Cb 0.52 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1qit h LEU 341 CO 0.03 0.65 0.13 -0.61 0.09 0.00 0.00 178.44 178.73 1qit h GLN 342 N 0.38 0.26 0.00 1.13 4.15 -1.18 -0.34 115.11 119.51 1qit h GLN 342 Ca 0.10 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.51 1qit h GLN 342 Cb 0.34 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.98 1qit h GLN 342 CO 0.01 0.17 0.00 -0.85 -1.93 0.00 0.00 178.83 176.23 1qit n GLU 343 N -4.97 0.92 0.00 1.69 -0.00 -0.15 -2.49 120.64 115.64 1qit n GLU 343 Ca -0.03 0.00 0.08 0.00 -0.00 0.00 0.00 57.16 57.22 1qit n GLU 343 Cb 0.04 -1.43 0.06 0.00 -0.00 0.00 0.00 31.44 30.11 1qit n GLU 343 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1qit n LYS 344 N -0.93 1.33 -1.01 3.44 4.76 -0.64 -4.98 118.16 120.12 1qit n LYS 344 Ca 0.19 -1.39 0.00 0.00 -2.87 0.00 0.00 58.31 54.24 1qit n LYS 344 Cb 0.09 -1.31 0.00 0.00 -1.84 0.00 0.00 35.03 31.97 1qit n LYS 344 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1qit n GLY 345 N 0.95 0.67 3.51 0.72 0.00 -1.04 -4.95 105.19 105.04 1qit n GLY 345 Ca 0.09 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 44.96 1qit n GLY 345 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qit s ALA 346 N -2.00 3.00 0.47 4.61 0.00 -0.19 -4.83 121.76 122.83 1qit s ALA 346 Ca 0.00 -2.29 0.18 0.00 0.00 0.00 0.00 51.96 49.85 1qit s ALA 346 Cb 0.00 -4.24 1.18 0.00 0.00 0.00 0.00 23.12 20.06 1qit s ALA 346 CO 0.00 -3.24 1.99 -0.91 0.00 0.00 0.00 175.76 173.60 1qit h ASN 347 N 9.45 0.21 -4.01 0.00 4.21 -1.91 -3.39 115.58 120.15 1qit h ASN 347 Ca 0.07 0.01 -0.51 0.00 1.21 0.00 0.00 56.30 57.07 1qit h ASN 347 Cb 1.03 -0.04 0.07 0.00 -1.12 0.00 0.00 38.32 38.26 1qit h ASN 347 CO 1.26 0.12 0.51 -0.60 -1.29 0.00 0.00 177.43 177.44 1qit s ARG 348 N -5.24 3.68 -0.32 0.81 3.00 -1.26 -4.95 118.95 114.66 1qit s ARG 348 Ca -0.07 1.86 -0.26 0.00 -1.00 0.00 0.00 55.73 56.27 1qit s ARG 348 Cb 0.20 -2.40 0.01 0.00 0.00 0.00 0.00 34.95 32.75 1qit s ARG 348 CO 0.74 -0.64 0.91 0.34 0.00 0.00 0.00 175.30 176.64 1qit s ASP 349 N -1.27 6.75 -0.19 -2.12 2.15 -1.26 -4.90 116.67 115.83 1qit s ASP 349 Ca 0.64 0.76 0.16 0.00 0.43 0.00 0.00 52.55 54.54 1qit s ASP 349 Cb -0.31 -2.46 0.67 0.00 -0.30 0.00 0.00 42.92 40.52 1qit s ASP 349 CO 0.37 -0.75 1.58 0.49 -0.17 0.00 0.00 175.17 176.69 1qit n PHE 350 N 6.53 1.47 0.30 -5.34 3.72 -1.26 -4.70 117.46 118.18 1qit n PHE 350 Ca 0.07 -0.76 0.17 0.00 -0.05 0.00 0.00 57.45 56.88 1qit n PHE 350 Cb 0.48 -0.37 0.96 0.00 -0.94 0.00 0.00 39.48 39.60 1qit n PHE 350 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1qit h SER 351 N 3.02 0.00 0.03 4.37 4.64 -1.92 -2.10 113.55 121.60 1qit h SER 351 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1qit h SER 351 Cb 1.64 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.73 1qit h SER 351 CO 0.33 0.03 -0.02 2.19 -0.87 0.00 0.00 176.83 178.49 1qit h PHE 352 N 0.00 0.00 0.00 4.77 -5.15 -1.98 -1.27 116.94 113.31 1qit h PHE 352 Ca -0.00 0.00 -0.03 0.00 -0.20 0.00 0.00 57.97 57.74 1qit h PHE 352 Cb 0.13 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.29 1qit h PHE 352 CO 0.00 0.02 -0.12 -0.84 -2.00 0.00 0.00 178.31 175.37 1qit h ILE 353 N 0.00 0.63 0.00 0.88 3.07 -1.76 -0.89 117.51 119.44 1qit h ILE 353 Ca -0.00 -0.52 -0.03 0.00 1.55 0.00 0.00 64.86 65.86 1qit h ILE 353 Cb 0.04 1.33 -0.00 0.00 -0.27 0.00 0.00 36.82 37.91 1qit h ILE 353 CO 0.00 0.12 -0.14 0.40 -1.05 0.00 0.00 178.15 177.48 1qit h ILE 354 N 0.00 0.75 -0.00 0.16 1.08 -1.43 -2.42 117.51 115.65 1qit h ILE 354 Ca -0.00 -0.58 0.00 0.00 -0.39 0.00 0.00 64.86 63.89 1qit h ILE 354 Cb 0.32 1.35 0.00 0.00 -3.07 0.00 0.00 36.82 35.41 1qit h ILE 354 CO 0.02 0.14 -0.01 0.29 -0.69 0.00 0.00 178.15 177.90 1qit n LYS 355 N -3.85 0.05 -3.25 2.37 5.02 -0.34 -4.87 118.16 113.28 1qit n LYS 355 Ca -0.02 -0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.95 1qit n LYS 355 Cb 0.24 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.70 1qit n LYS 355 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1qit s GLN 356 N -2.95 3.90 0.11 1.97 -0.21 -0.91 -4.91 119.66 116.65 1qit s GLN 356 Ca 0.15 0.48 0.06 0.00 0.02 0.00 0.00 55.36 56.07 1qit s GLN 356 Cb 0.19 -2.53 -0.04 0.00 1.00 0.00 0.00 33.01 31.64 1qit s GLN 356 CO 0.53 0.22 -0.02 -0.80 -2.12 0.00 0.00 175.29 173.10 1qit s ASN 357 N -2.36 4.84 0.00 5.90 0.01 -0.39 -5.03 114.94 117.92 1qit s ASN 357 Ca 0.51 -0.27 0.00 0.00 -0.71 0.00 0.00 52.86 52.39 1qit s ASN 357 Cb -0.11 -1.08 0.00 0.00 0.41 0.00 0.00 41.25 40.47 1qit s ASN 357 CO 0.20 0.16 0.00 0.61 -1.51 0.00 0.00 177.10 176.55 1qit n GLY 358 N 0.43 -1.80 0.20 0.66 0.00 -1.26 -4.43 105.19 99.00 1qit n GLY 358 Ca -0.11 -1.85 0.07 0.00 0.00 0.00 0.00 46.02 44.13 1qit n GLY 358 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1qit h MET 359 N 0.00 0.00 -6.48 1.61 2.86 -1.93 -3.47 114.93 107.52 1qit h MET 359 Ca 0.00 0.00 -0.68 0.00 -2.06 0.00 0.00 59.70 56.96 1qit h MET 359 Cb 0.00 0.00 -0.19 0.00 0.06 0.00 0.00 31.60 31.47 1qit h MET 359 CO 0.00 0.33 -0.76 -0.06 1.06 0.00 0.00 176.91 177.48 1qit s PHE 360 N -3.67 2.70 -0.08 -0.22 0.08 -1.26 -0.32 117.98 115.21 1qit s PHE 360 Ca -0.00 -0.17 0.04 0.00 0.12 0.00 0.00 56.93 56.93 1qit s PHE 360 Cb 0.11 -1.50 -0.00 0.00 -0.57 0.00 0.00 43.02 41.06 1qit s PHE 360 CO 0.67 0.33 -0.23 -1.54 -0.10 0.00 0.00 175.22 174.35 1qit s SER 361 N -1.60 2.92 -0.70 1.36 1.04 -0.96 -4.22 113.70 111.54 1qit s SER 361 Ca 0.17 -0.51 -0.20 0.00 0.48 0.00 0.00 55.95 55.89 1qit s SER 361 Cb -0.11 -1.16 0.11 0.00 0.10 0.00 0.00 66.02 64.96 1qit s SER 361 CO 0.08 0.17 0.87 0.12 0.98 0.00 0.00 173.24 175.46 1qit s PHE 362 N 0.22 2.99 0.45 5.02 5.36 -1.26 -1.14 117.98 129.61 1qit s PHE 362 Ca -0.14 -1.01 0.34 0.00 -0.96 0.00 0.00 56.93 55.16 1qit s PHE 362 Cb -0.16 -4.14 1.77 0.00 -0.34 0.00 0.00 43.02 40.15 1qit s PHE 362 CO 0.07 -1.42 2.16 0.66 -1.46 0.00 0.00 175.22 175.24 1qit h SER 363 N 9.12 0.00 0.00 6.13 4.64 -1.80 -3.47 113.55 128.17 1qit h SER 363 Ca -0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 1qit h SER 363 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1qit h SER 363 CO 1.10 0.05 0.00 0.61 -0.87 0.00 0.00 176.83 177.72 1qit n GLY 364 N -0.72 0.63 3.78 -0.77 0.00 -1.26 -5.02 105.19 101.83 1qit n GLY 364 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 1qit n GLY 364 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qit s LEU 365 N 0.00 4.04 0.65 0.99 1.43 -1.26 -5.03 118.68 119.50 1qit s LEU 365 Ca 0.00 2.04 -0.10 0.00 -1.03 0.00 0.00 54.13 55.04 1qit s LEU 365 Cb 0.00 -4.30 -0.00 0.00 0.03 0.00 0.00 46.19 41.92 1qit s LEU 365 CO 0.00 -0.63 1.03 0.42 0.23 0.00 0.00 176.35 177.41 1qit s THR 366 N -1.74 3.92 0.25 5.49 -4.23 -1.26 -4.31 115.64 113.77 1qit s THR 366 Ca 0.61 0.51 -0.04 0.00 -1.18 0.00 0.00 61.69 61.59 1qit s THR 366 Cb -0.21 -3.60 0.26 0.00 1.34 0.00 0.00 72.50 70.29 1qit s THR 366 CO 0.26 -0.76 1.66 0.50 -0.54 0.00 0.00 174.62 175.74 1qit h LYS 367 N -0.45 0.20 -0.10 3.99 1.63 -1.95 -0.86 116.57 119.03 1qit h LYS 367 Ca -0.45 -0.01 -0.14 0.00 -0.85 0.00 0.00 60.65 59.20 1qit h LYS 367 Cb 1.23 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.81 1qit h LYS 367 CO 0.63 0.13 -0.54 0.93 -3.45 0.00 0.00 179.45 177.15 1qit h GLU 368 N 0.21 0.29 -0.25 1.90 3.07 -1.93 -0.89 114.58 116.98 1qit h GLU 368 Ca 0.44 -0.18 -0.16 0.00 -0.50 0.00 0.00 59.36 58.95 1qit h GLU 368 Cb 0.78 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.71 1qit h GLU 368 CO -0.58 0.76 -0.48 1.96 -1.40 0.00 0.00 179.01 179.27 1qit h GLN 369 N 0.23 0.76 -0.90 2.33 4.20 -1.77 0.12 115.11 120.08 1qit h GLN 369 Ca 0.00 -0.49 -0.02 0.00 0.06 0.00 0.00 58.65 58.21 1qit h GLN 369 Cb 1.03 0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.82 1qit h GLN 369 CO 0.09 1.12 0.49 0.28 -0.67 0.00 0.00 178.83 180.14 1qit h VAL 370 N 0.50 1.26 -0.46 -0.54 2.07 -0.96 -0.08 116.25 118.04 1qit h VAL 370 Ca 0.01 -0.65 -0.09 0.00 0.82 0.00 0.00 66.70 66.79 1qit h VAL 370 Cb 1.08 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 1qit h VAL 370 CO 0.11 0.30 -0.07 0.25 0.02 0.00 0.00 177.57 178.18 1qit h LEU 371 N 1.27 0.85 -0.51 2.57 5.85 -1.06 -3.08 115.31 121.20 1qit h LEU 371 Ca 0.32 -0.34 -0.13 0.00 0.84 0.00 0.00 57.88 58.57 1qit h LEU 371 Cb 0.03 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 1qit h LEU 371 CO -0.05 0.99 -0.18 -0.09 -0.34 0.00 0.00 178.44 178.77 1qit h ARG 372 N 0.70 1.02 -0.78 1.25 1.12 -0.46 -2.44 114.38 114.80 1qit h ARG 372 Ca 0.12 -0.42 0.16 0.00 -1.11 0.00 0.00 59.98 58.73 1qit h ARG 372 Cb 0.60 -0.04 -0.10 0.00 -0.01 0.00 0.00 29.97 30.41 1qit h ARG 372 CO 0.04 1.10 0.28 -0.07 -3.11 0.00 0.00 179.97 178.21 1qit h LEU 373 N 0.89 0.22 0.06 3.80 3.38 -0.94 0.10 115.31 122.82 1qit h LEU 373 Ca 0.12 0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.22 1qit h LEU 373 Cb 0.76 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1qit h LEU 373 CO 0.06 0.05 -0.03 -0.09 0.09 0.00 0.00 178.44 178.52 1qit h ARG 374 N 0.39 -0.08 -0.51 1.13 2.43 -1.43 -0.18 114.38 116.12 1qit h ARG 374 Ca 0.44 0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.54 1qit h ARG 374 Cb 0.72 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.27 1qit h ARG 374 CO -0.45 0.50 0.01 1.49 -1.51 0.00 0.00 179.97 180.01 1qit h GLU 375 N -0.78 0.89 0.04 0.20 4.57 -1.24 0.12 114.58 118.39 1qit h GLU 375 Ca -0.01 -0.28 -0.31 0.00 -1.18 0.00 0.00 59.36 57.59 1qit h GLU 375 Cb 0.62 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 29.09 1qit h GLU 375 CO 0.01 0.92 -1.72 1.49 -1.18 0.00 0.00 179.01 178.53 1qit h GLU 376 N 0.76 0.08 -0.00 1.92 4.81 -0.96 -3.41 114.58 117.79 1qit h GLU 376 Ca 0.15 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1qit h GLU 376 Cb 0.51 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.94 1qit h GLU 376 CO 0.02 0.74 -0.03 1.19 -0.73 0.00 0.00 179.01 180.20 1qit n PHE 377 N -3.20 0.00 -1.46 0.92 3.01 -0.35 -5.03 117.46 111.35 1qit n PHE 377 Ca -0.19 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.11 1qit n PHE 377 Cb 1.04 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 40.45 1qit n PHE 377 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1qit n GLY 378 N 0.55 1.61 3.61 1.37 0.00 0.43 -4.75 105.19 108.02 1qit n GLY 378 Ca 0.01 -0.26 -0.36 0.00 0.00 0.00 0.00 46.02 45.41 1qit n GLY 378 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1qit s VAL 379 N -2.59 4.93 -0.27 1.61 -7.23 -1.02 -0.99 120.40 114.84 1qit s VAL 379 Ca 0.00 0.03 -0.12 0.00 -1.81 0.00 0.00 61.98 60.08 1qit s VAL 379 Cb 0.00 -3.27 -0.05 0.00 0.56 0.00 0.00 36.38 33.63 1qit s VAL 379 CO 0.00 0.40 0.23 -0.31 -0.31 0.00 0.00 175.10 175.11 1qit s TYR 380 N 0.84 3.24 0.18 2.82 1.51 0.04 -2.95 117.35 123.03 1qit s TYR 380 Ca 0.05 0.21 0.04 0.00 -1.01 0.00 0.00 57.07 56.36 1qit s TYR 380 Cb -0.13 -2.42 -0.05 0.00 -0.11 0.00 0.00 41.96 39.25 1qit s TYR 380 CO 0.02 -0.15 -0.06 0.00 -1.11 0.00 0.00 175.55 174.26 1qit s ALA 381 N 1.76 1.58 0.39 3.71 0.00 -1.26 -2.49 121.76 125.45 1qit s ALA 381 Ca 0.09 -1.60 -0.24 0.00 0.00 0.00 0.00 51.96 50.21 1qit s ALA 381 Cb -0.16 0.25 -0.09 0.00 0.00 0.00 0.00 23.12 23.13 1qit s ALA 381 CO 0.10 -0.17 1.05 0.08 0.00 0.00 0.00 175.76 176.82 1qit s VAL 382 N -3.39 3.71 0.61 0.00 1.01 -0.84 -4.91 120.40 116.60 1qit s VAL 382 Ca 0.22 1.33 0.30 0.00 0.00 0.00 0.00 61.98 63.82 1qit s VAL 382 Cb 0.04 -3.69 0.36 0.00 0.00 0.00 0.00 36.38 33.09 1qit s VAL 382 CO 0.04 0.02 2.00 0.00 0.00 0.00 0.00 175.10 177.16 1qit h ALA 383 N 2.55 1.77 0.00 5.51 0.00 -1.89 0.19 119.26 127.39 1qit h ALA 383 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1qit h ALA 383 Cb 1.21 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1qit h ALA 383 CO 0.62 -0.43 0.00 -1.13 0.00 0.00 0.00 179.25 178.31 1qit n SER 384 N -3.51 0.00 0.00 0.00 3.41 -1.26 -4.22 113.62 108.04 1qit n SER 384 Ca 0.03 -0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 1qit n SER 384 Cb 0.44 -0.27 0.00 0.00 -0.26 0.00 0.00 64.21 64.12 1qit n SER 384 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qit n GLY 385 N 0.24 0.73 3.71 5.00 0.00 0.65 -4.77 105.19 110.75 1qit n GLY 385 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1qit n GLY 385 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1qit s ARG 386 N -0.65 4.30 -0.02 1.61 3.52 -1.23 -2.34 118.95 124.15 1qit s ARG 386 Ca 0.00 2.06 0.08 0.00 -0.13 0.00 0.00 55.73 57.74 1qit s ARG 386 Cb 0.00 -3.35 -0.02 0.00 -1.56 0.00 0.00 34.95 30.02 1qit s ARG 386 CO 0.00 -0.49 -0.26 0.14 -0.81 0.00 0.00 175.30 173.89 1qit s VAL 387 N 1.52 2.10 -0.61 7.11 -7.23 -0.30 -1.99 120.40 121.01 1qit s VAL 387 Ca 0.65 -1.12 -0.24 0.00 -1.81 0.00 0.00 61.98 59.47 1qit s VAL 387 Cb -0.36 -1.73 0.05 0.00 0.56 0.00 0.00 36.38 34.90 1qit s VAL 387 CO 0.29 0.56 0.97 0.21 -0.31 0.00 0.00 175.10 176.83 1qit s ASN 388 N -0.67 6.26 0.41 4.85 2.47 -0.21 -2.25 114.94 125.79 1qit s ASN 388 Ca 0.10 -0.63 0.16 0.00 0.42 0.00 0.00 52.86 52.92 1qit s ASN 388 Cb -0.10 -2.44 0.87 0.00 -1.45 0.00 0.00 41.25 38.14 1qit s ASN 388 CO -0.01 -1.35 1.87 0.58 -3.72 0.00 0.00 177.10 174.47 1qit h VAL 389 N 6.00 1.07 0.00 -5.21 2.07 -1.01 -2.28 116.25 116.89 1qit h VAL 389 Ca -0.27 -1.12 0.00 0.00 0.82 0.00 0.00 66.70 66.12 1qit h VAL 389 Cb 1.07 1.63 0.00 0.00 -1.52 0.00 0.00 31.29 32.47 1qit h VAL 389 CO 1.14 0.30 0.00 0.00 0.02 0.00 0.00 177.57 179.03 1qit n ALA 390 N -2.41 1.64 1.34 1.67 0.00 -1.21 -1.75 120.51 119.79 1qit n ALA 390 Ca -0.02 0.07 0.13 0.00 0.00 0.00 0.00 53.44 53.63 1qit n ALA 390 Cb 0.38 -1.37 0.44 0.00 0.00 0.00 0.00 19.45 18.90 1qit n ALA 390 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qit n GLY 391 N -0.04 -0.44 3.83 0.00 0.00 -0.86 -2.47 105.19 105.22 1qit n GLY 391 Ca 0.02 -0.41 -0.36 0.00 0.00 0.00 0.00 46.02 45.27 1qit n GLY 391 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1qit s MET 392 N -2.34 4.10 0.10 1.61 -1.94 -0.72 -4.65 119.30 115.45 1qit s MET 392 Ca 0.29 0.64 0.00 0.00 -1.71 0.00 0.00 55.69 54.91 1qit s MET 392 Cb 0.20 -2.99 -0.04 0.00 2.01 0.00 0.00 34.83 34.00 1qit s MET 392 CO 0.46 0.50 -0.02 0.95 -0.01 0.00 0.00 175.02 176.89 1qit s THR 393 N -1.39 0.42 0.59 2.05 -4.23 -1.26 -4.93 115.64 106.88 1qit s THR 393 Ca 0.37 -1.89 0.29 0.00 -1.18 0.00 0.00 61.69 59.28 1qit s THR 393 Cb -0.16 -1.75 0.35 0.00 1.34 0.00 0.00 72.50 72.28 1qit s THR 393 CO 0.20 -0.79 2.21 -0.65 -0.54 0.00 0.00 174.62 175.04 1qit h PRO 394 N 2.98 0.00 0.06 3.99 0.11 -1.97 -1.18 132.00 135.98 1qit h PRO 394 Ca -0.35 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.51 1qit h PRO 394 Cb 1.17 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.28 1qit h PRO 394 CO 0.64 0.00 -1.07 -0.44 -0.21 0.00 0.00 178.00 176.92 1qit h ASP 395 N 0.00 0.56 -0.01 -2.05 5.19 -1.96 -3.33 116.42 114.81 1qit h ASP 395 Ca 0.02 -0.50 0.00 0.00 -0.62 0.00 0.00 57.03 55.93 1qit h ASP 395 Cb 0.13 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 39.47 1qit h ASP 395 CO -0.00 1.32 -0.22 -0.46 -3.12 0.00 0.00 179.24 176.77 1qit n ASN 396 N -3.70 2.46 -0.18 6.45 2.04 -0.86 -4.57 115.26 116.91 1qit n ASN 396 Ca -0.08 -1.73 -0.06 0.00 -0.44 0.00 0.00 54.58 52.27 1qit n ASN 396 Cb 0.91 0.21 0.04 0.00 -2.53 0.00 0.00 39.78 38.41 1qit n ASN 396 CO 0.00 0.00 0.00 -0.03 -0.44 0.00 0.00 177.26 176.79 1qit h MET 397 N 3.52 0.63 -0.15 -3.83 4.05 -1.35 -2.25 114.93 115.54 1qit h MET 397 Ca 0.00 -0.04 -0.05 0.00 -0.28 0.00 0.00 59.70 59.34 1qit h MET 397 Cb 0.86 -0.14 -0.00 0.00 -0.80 0.00 0.00 31.60 31.51 1qit h MET 397 CO 0.00 0.42 -0.08 0.00 0.23 0.00 0.00 176.91 177.47 1qit h ALA 398 N 1.23 0.22 -0.41 0.39 0.00 -1.80 -0.38 119.26 118.50 1qit h ALA 398 Ca 0.21 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1qit h ALA 398 Cb 0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1qit h ALA 398 CO -0.09 0.03 0.06 -1.00 0.00 0.00 0.00 179.25 178.26 1qit h PRO 399 N -0.01 0.63 -0.04 0.00 0.13 -1.84 0.08 132.00 130.95 1qit h PRO 399 Ca 0.03 -0.13 -0.00 0.00 -0.87 0.00 0.00 66.00 65.04 1qit h PRO 399 Cb 0.57 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 31.60 1qit h PRO 399 CO 0.02 0.61 0.01 1.25 -0.23 0.00 0.00 178.00 179.66 1qit h LEU 400 N 0.61 0.06 -1.37 1.56 5.85 -1.40 -0.98 115.31 119.64 1qit h LEU 400 Ca 0.13 -0.19 -0.07 0.00 0.84 0.00 0.00 57.88 58.60 1qit h LEU 400 Cb 0.29 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 1qit h LEU 400 CO 0.00 0.23 -0.31 0.00 -0.34 0.00 0.00 178.44 178.02 1qit h GLU 402 N 0.00 0.79 -0.35 0.00 5.08 -0.74 -2.09 114.58 117.27 1qit h GLU 402 Ca -0.00 -0.36 -0.03 0.00 -1.00 0.00 0.00 59.36 57.96 1qit h GLU 402 Cb 0.58 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1qit h GLU 402 CO 0.04 0.99 0.10 0.00 -1.00 0.00 0.00 179.01 179.14 1qit h ALA 403 N 0.79 0.46 0.42 3.43 0.00 -0.80 -2.82 119.26 120.75 1qit h ALA 403 Ca 0.08 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1qit h ALA 403 Cb 0.77 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1qit h ALA 403 CO 0.06 0.11 -0.23 0.82 0.00 0.00 0.00 179.25 180.01 1qit h ILE 404 N 0.41 0.52 0.00 0.00 2.04 -1.33 -2.26 117.51 116.88 1qit h ILE 404 Ca 0.11 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.97 1qit h ILE 404 Cb 0.28 0.52 -0.00 0.00 -0.74 0.00 0.00 36.82 36.87 1qit h ILE 404 CO -0.00 0.00 -0.00 -0.37 0.00 0.00 0.00 178.15 177.78 1qit h VAL 405 N -0.61 0.25 0.00 1.67 -1.51 -1.39 -1.83 116.25 112.83 1qit h VAL 405 Ca -0.05 -0.02 -0.07 0.00 -1.23 0.00 0.00 66.70 65.33 1qit h VAL 405 Cb 0.49 1.02 -0.01 0.00 -2.13 0.00 0.00 31.29 30.66 1qit h VAL 405 CO 0.07 0.00 -0.31 0.00 -1.23 0.00 0.00 177.57 176.10 1qit h ALA 407 N 2.00 0.85 -0.01 5.19 0.00 -1.14 -3.04 119.26 123.11 1qit h ALA 407 Ca -0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1qit h ALA 407 Cb 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1qit h ALA 407 CO 0.00 0.39 -0.57 1.33 0.00 0.00 0.00 179.25 180.40 1qit n VAL 408 N -3.26 0.00 1.19 0.00 0.24 -0.72 -5.11 118.33 110.67 1qit n VAL 408 Ca 0.02 -0.14 0.10 0.00 -2.04 0.00 0.00 64.34 62.28 1qit n VAL 408 Cb 0.59 0.89 0.57 0.00 -1.47 0.00 0.00 33.84 34.42 1qit n VAL 408 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87