#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qhp n SER 2 N 0.00 0.00 0.20 4.04 3.41 -1.26 -3.31 113.62 116.70 1qhp n SER 2 Ca 0.00 0.38 0.07 0.00 -0.26 0.00 0.00 58.87 59.07 1qhp n SER 2 Cb 0.00 -0.46 0.35 0.00 -0.26 0.00 0.00 64.21 63.84 1qhp n SER 2 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1qhp h SER 3 N 0.00 0.00 -0.67 4.04 0.02 -1.90 -3.33 113.55 111.71 1qhp h SER 3 Ca 0.00 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 1qhp h SER 3 Cb 0.40 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.91 1qhp h SER 3 CO 0.00 0.31 0.18 0.00 -1.14 0.00 0.00 176.83 176.18 1qhp h ALA 4 N 1.69 1.02 -4.27 3.77 0.00 -1.37 -3.13 119.26 116.97 1qhp h ALA 4 Ca -0.00 -0.23 -0.59 0.00 0.00 0.00 0.00 54.91 54.08 1qhp h ALA 4 Cb 0.89 -0.27 -0.30 0.00 0.00 0.00 0.00 17.79 18.12 1qhp h ALA 4 CO 0.04 0.64 -0.85 0.45 0.00 0.00 0.00 179.25 179.53 1qhp s SER 5 N -6.48 2.34 -0.13 0.00 0.15 -1.25 -4.58 113.70 103.74 1qhp s SER 5 Ca -0.12 -0.37 0.16 0.00 0.70 0.00 0.00 55.95 56.33 1qhp s SER 5 Cb 0.15 -0.37 0.37 0.00 -1.71 0.00 0.00 66.02 64.46 1qhp s SER 5 CO 0.84 0.22 1.25 1.33 1.20 0.00 0.00 173.24 178.09 1qhp n VAL 6 N 2.73 1.95 0.26 4.45 0.24 -1.26 -4.74 118.33 121.95 1qhp n VAL 6 Ca -0.16 -1.97 0.14 0.00 -2.04 0.00 0.00 64.34 60.31 1qhp n VAL 6 Cb 0.53 -0.16 0.82 0.00 -1.47 0.00 0.00 33.84 33.56 1qhp n VAL 6 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 1qhp h LYS 7 N 0.82 0.00 -0.67 7.34 1.57 -1.90 -1.10 116.57 122.63 1qhp h LYS 7 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1qhp h LYS 7 Cb 1.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.44 1qhp h LYS 7 CO 0.09 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.38 1qhp n GLY 8 N -1.41 2.15 3.83 3.86 0.00 -1.26 -4.42 105.19 107.94 1qhp n GLY 8 Ca -0.02 -0.73 -0.22 0.00 0.00 0.00 0.00 46.02 45.06 1qhp n GLY 8 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qhp s ASP 9 N -1.00 5.11 -0.19 1.61 1.11 -0.42 -3.78 116.67 119.13 1qhp s ASP 9 Ca 0.45 -0.59 -0.02 0.00 0.18 0.00 0.00 52.55 52.57 1qhp s ASP 9 Cb 0.24 -0.87 -0.00 0.00 1.07 0.00 0.00 42.92 43.36 1qhp s ASP 9 CO 0.30 -0.38 -0.10 -0.69 1.18 0.00 0.00 175.17 175.48 1qhp s VAL 10 N -2.36 2.96 0.05 -1.27 1.01 -1.26 -4.43 120.40 115.11 1qhp s VAL 10 Ca 0.41 -0.65 -0.18 0.00 0.00 0.00 0.00 61.98 61.56 1qhp s VAL 10 Cb -0.05 -2.30 -0.06 0.00 0.00 0.00 0.00 36.38 33.97 1qhp s VAL 10 CO 0.26 0.48 0.53 -0.63 0.00 0.00 0.00 175.10 175.74 1qhp s ILE 11 N 1.16 4.81 -0.14 2.22 1.01 -0.16 -1.46 121.20 128.64 1qhp s ILE 11 Ca 0.01 1.13 0.00 0.00 0.00 0.00 0.00 60.65 61.80 1qhp s ILE 11 Cb -0.14 -3.86 0.03 0.00 0.01 0.00 0.00 42.46 38.50 1qhp s ILE 11 CO -0.03 0.55 -0.11 -0.47 0.00 0.00 0.00 174.94 174.88 1qhp s TYR 12 N -1.05 1.96 -0.32 3.97 5.04 -0.36 -0.54 117.35 126.05 1qhp s TYR 12 Ca 0.28 -1.11 -0.17 0.00 -2.44 0.00 0.00 57.07 53.63 1qhp s TYR 12 Cb -0.19 -1.48 -0.01 0.00 0.35 0.00 0.00 41.96 40.63 1qhp s TYR 12 CO 0.18 -0.63 0.46 -1.14 -1.34 0.00 0.00 175.55 173.07 1qhp s GLN 13 N 1.55 3.75 -0.15 4.97 0.74 0.11 -0.68 119.66 129.95 1qhp s GLN 13 Ca 0.04 -0.11 -0.02 0.00 0.05 0.00 0.00 55.36 55.33 1qhp s GLN 13 Cb -0.13 -3.76 -0.02 0.00 1.10 0.00 0.00 33.01 30.20 1qhp s GLN 13 CO -0.10 -0.51 -0.09 0.42 -0.55 0.00 0.00 175.29 174.46 1qhp s ILE 14 N 2.25 3.32 -0.61 -2.34 1.01 -0.18 -0.36 121.20 124.29 1qhp s ILE 14 Ca 0.17 -0.55 -0.22 0.00 0.00 0.00 0.00 60.65 60.05 1qhp s ILE 14 Cb -0.16 -2.43 0.07 0.00 0.01 0.00 0.00 42.46 39.95 1qhp s ILE 14 CO 0.12 0.50 0.88 -0.63 0.00 0.00 0.00 174.94 175.81 1qhp s ILE 15 N 0.55 4.48 0.21 2.92 -1.09 -1.26 -1.00 121.20 126.01 1qhp s ILE 15 Ca -0.06 -0.33 -0.10 0.00 -2.23 0.00 0.00 60.65 57.92 1qhp s ILE 15 Cb -0.15 -4.58 0.20 0.00 -1.58 0.00 0.00 42.46 36.35 1qhp s ILE 15 CO 0.03 -1.25 1.67 0.40 -1.23 0.00 0.00 174.94 174.55 1qhp h ILE 16 N 5.96 0.50 0.00 2.92 2.04 -1.90 -1.19 117.51 125.85 1qhp h ILE 16 Ca -0.28 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.53 1qhp h ILE 16 Cb 1.08 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 37.52 1qhp h ILE 16 CO 1.12 0.02 0.00 -0.78 0.00 0.00 0.00 178.15 178.52 1qhp h ASP 17 N 0.13 0.00 -0.26 1.72 3.58 -1.79 -2.83 116.42 116.98 1qhp h ASP 17 Ca 0.32 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.77 1qhp h ASP 17 Cb 0.53 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.58 1qhp h ASP 17 CO -0.52 0.00 0.00 0.54 -2.88 0.00 0.00 179.24 176.38 1qhp n ARG 18 N -2.94 2.80 0.00 0.28 5.12 -0.47 -0.32 116.66 121.13 1qhp n ARG 18 Ca -0.02 -2.35 0.00 0.00 -1.93 0.00 0.00 57.85 53.55 1qhp n ARG 18 Cb 0.14 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 29.95 1qhp n ARG 18 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1qhp n PHE 19 N -0.12 0.00 -3.70 -1.55 7.35 -1.07 -0.82 117.46 117.54 1qhp n PHE 19 Ca 0.15 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.73 1qhp n PHE 19 Cb 0.61 0.00 -0.11 0.00 0.35 0.00 0.00 39.48 40.33 1qhp n PHE 19 CO 0.00 0.00 0.00 -0.47 -0.76 0.00 0.00 176.76 175.53 1qhp s TYR 20 N -0.92 -0.54 -0.86 -5.13 5.04 -1.26 -4.19 117.35 109.49 1qhp s TYR 20 Ca 0.00 1.18 -0.21 0.00 -2.44 0.00 0.00 57.07 55.60 1qhp s TYR 20 Cb 0.00 0.22 0.09 0.00 0.35 0.00 0.00 41.96 42.62 1qhp s TYR 20 CO 0.00 -0.32 1.16 0.34 -1.34 0.00 0.00 175.55 175.39 1qhp s ASP 21 N 1.33 6.44 0.00 4.32 2.15 -1.26 -1.72 116.67 127.93 1qhp s ASP 21 Ca -0.09 -1.52 0.26 0.00 0.43 0.00 0.00 52.55 51.63 1qhp s ASP 21 Cb -0.09 -2.45 0.76 0.00 -0.30 0.00 0.00 42.92 40.84 1qhp s ASP 21 CO -0.11 -1.31 1.59 0.61 -0.17 0.00 0.00 175.17 175.77 1qhp n GLY 22 N 5.73 -1.29 2.69 2.66 0.00 -1.26 -4.65 105.19 109.07 1qhp n GLY 22 Ca 0.17 -0.28 -0.21 0.00 0.00 0.00 0.00 46.02 45.71 1qhp n GLY 22 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1qhp s ASP 23 N -2.96 2.18 0.00 1.61 -1.08 -1.26 -4.71 116.67 110.44 1qhp s ASP 23 Ca 0.13 -1.02 0.15 0.00 -0.52 0.00 0.00 52.55 51.29 1qhp s ASP 23 Cb 0.18 0.25 0.66 0.00 -1.46 0.00 0.00 42.92 42.55 1qhp s ASP 23 CO 0.63 -0.39 1.49 0.35 0.52 0.00 0.00 175.17 177.77 1qhp n THR 24 N 5.16 0.94 0.54 1.71 -2.24 -1.26 -3.20 114.28 115.92 1qhp n THR 24 Ca -0.01 0.24 0.13 0.00 -2.27 0.00 0.00 64.05 62.13 1qhp n THR 24 Cb 0.45 -0.97 0.44 0.00 -2.10 0.00 0.00 70.33 68.14 1qhp n THR 24 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1qhp n THR 25 N -1.50 0.68 -0.80 4.28 -2.24 -1.26 -2.65 114.28 110.80 1qhp n THR 25 Ca 0.04 -0.11 0.08 0.00 -2.27 0.00 0.00 64.05 61.79 1qhp n THR 25 Cb 0.18 -0.80 0.31 0.00 -2.10 0.00 0.00 70.33 67.92 1qhp n THR 25 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1qhp n ASN 26 N -2.28 4.46 0.12 3.42 0.23 -1.19 -4.60 115.26 115.42 1qhp n ASN 26 Ca 0.04 -2.76 0.00 0.00 -0.53 0.00 0.00 54.58 51.33 1qhp n ASN 26 Cb 0.36 -0.55 0.30 0.00 -2.08 0.00 0.00 39.78 37.81 1qhp n ASN 26 CO 0.00 0.00 0.00 0.78 -0.93 0.00 0.00 177.26 177.11 1qhp h ASN 27 N 2.89 0.18 -1.14 0.53 4.21 -1.71 -3.38 115.58 117.15 1qhp h ASN 27 Ca 0.00 -0.06 -0.41 0.00 1.21 0.00 0.00 56.30 57.04 1qhp h ASN 27 Cb 1.51 -0.05 -0.28 0.00 -1.12 0.00 0.00 38.32 38.38 1qhp h ASN 27 CO 0.27 0.51 -0.84 -3.20 -1.29 0.00 0.00 177.43 172.87 1qhp n ASN 28 N -4.10 -1.14 -4.75 5.81 5.15 -1.26 -4.59 115.26 110.37 1qhp n ASN 28 Ca -0.01 -2.96 -0.37 0.00 -0.60 0.00 0.00 54.58 50.63 1qhp n ASN 28 Cb 0.41 0.42 0.04 0.00 -0.53 0.00 0.00 39.78 40.12 1qhp n ASN 28 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 1qhp s PRO 29 N -0.39 3.03 0.40 1.20 0.02 -1.26 -4.79 135.00 133.21 1qhp s PRO 29 Ca 0.34 1.98 0.08 0.00 0.02 0.00 0.00 61.00 63.41 1qhp s PRO 29 Cb 0.20 -2.06 0.86 0.00 0.02 0.00 0.00 34.50 33.52 1qhp s PRO 29 CO -0.17 -1.20 2.03 0.00 -0.33 0.00 0.00 177.00 177.33 1qhp h ALA 30 N 1.12 1.76 -0.57 -1.55 0.00 -1.98 -0.44 119.26 117.61 1qhp h ALA 30 Ca -0.51 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.46 1qhp h ALA 30 Cb 1.30 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 1qhp h ALA 30 CO 0.56 0.18 0.38 -0.22 0.00 0.00 0.00 179.25 180.15 1qhp h LYS 31 N 0.57 0.41 -0.99 0.00 3.64 -1.98 -3.09 116.57 115.12 1qhp h LYS 31 Ca 0.20 -0.02 -0.36 0.00 -1.27 0.00 0.00 60.65 59.20 1qhp h LYS 31 Cb 0.10 -0.09 -0.40 0.00 -0.41 0.00 0.00 32.23 31.43 1qhp h LYS 31 CO -0.05 0.27 -1.19 -1.13 -2.27 0.00 0.00 179.45 175.08 1qhp n SER 32 N -4.47 1.49 -4.76 4.20 3.41 -0.75 -4.91 113.62 107.83 1qhp n SER 32 Ca 0.09 -2.71 -0.39 0.00 -0.26 0.00 0.00 58.87 55.60 1qhp n SER 32 Cb 0.33 -0.53 0.03 0.00 -0.26 0.00 0.00 64.21 63.78 1qhp n SER 32 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1qhp s TYR 33 N -3.14 2.40 0.00 7.33 5.04 -0.25 -3.62 117.35 125.11 1qhp s TYR 33 Ca 0.27 1.31 0.00 0.00 -2.44 0.00 0.00 57.07 56.22 1qhp s TYR 33 Cb 0.46 -3.86 0.00 0.00 0.35 0.00 0.00 41.96 38.90 1qhp s TYR 33 CO 0.03 -2.89 0.00 0.41 -1.34 0.00 0.00 175.55 171.76 1qhp n GLY 34 N 0.64 0.74 0.92 8.97 0.00 -1.26 -4.94 105.19 110.24 1qhp n GLY 34 Ca 0.07 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.17 1qhp n GLY 34 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1qhp n LEU 35 N 0.00 3.31 -4.67 0.99 4.77 -1.24 -4.97 117.00 115.19 1qhp n LEU 35 Ca 0.00 -1.96 -0.35 0.00 -0.03 0.00 0.00 56.01 53.67 1qhp n LEU 35 Cb 0.00 -0.32 -0.10 0.00 -2.33 0.00 0.00 43.42 40.67 1qhp n LEU 35 CO 0.00 0.82 -0.30 -0.47 -1.33 0.00 0.00 177.39 176.11 1qhp s TYR 36 N -1.01 3.17 -0.29 -1.77 5.04 -1.26 -0.86 117.35 120.37 1qhp s TYR 36 Ca 0.33 0.15 0.03 0.00 -2.44 0.00 0.00 57.07 55.14 1qhp s TYR 36 Cb 0.17 -1.84 0.08 0.00 0.35 0.00 0.00 41.96 40.73 1qhp s TYR 36 CO 0.23 0.40 -0.02 0.34 -1.34 0.00 0.00 175.55 175.16 1qhp s ASP 37 N -0.66 4.46 0.42 4.32 2.15 0.05 -4.92 116.67 122.48 1qhp s ASP 37 Ca 0.11 -1.70 0.29 0.00 0.43 0.00 0.00 52.55 51.68 1qhp s ASP 37 Cb -0.12 -1.47 1.27 0.00 -0.30 0.00 0.00 42.92 42.30 1qhp s ASP 37 CO 0.02 -0.29 1.87 1.55 -0.17 0.00 0.00 175.17 178.15 1qhp h PRO 38 N 7.76 0.00 0.00 4.34 0.13 -1.90 -2.98 132.00 139.35 1qhp h PRO 38 Ca -0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 1qhp h PRO 38 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1qhp h PRO 38 CO 0.48 0.00 -0.47 0.25 -0.23 0.00 0.00 178.00 178.03 1qhp n THR 39 N -2.66 0.11 -3.84 1.56 -2.24 -1.26 -4.95 114.28 101.00 1qhp n THR 39 Ca 0.01 -0.08 -0.26 0.00 -2.27 0.00 0.00 64.05 61.45 1qhp n THR 39 Cb 0.24 0.04 0.02 0.00 -2.10 0.00 0.00 70.33 68.52 1qhp n THR 39 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1qhp n LYS 40 N -1.68 -4.87 0.00 -0.78 5.02 -1.13 -4.86 118.16 109.86 1qhp n LYS 40 Ca 0.05 0.57 0.00 0.00 -2.02 0.00 0.00 58.31 56.91 1qhp n LYS 40 Cb 0.37 -5.21 0.00 0.00 -0.02 0.00 0.00 35.03 30.17 1qhp n LYS 40 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1qhp n SER 41 N -2.95 0.55 -4.25 4.39 3.41 -1.26 -4.92 113.62 108.59 1qhp n SER 41 Ca -0.16 -0.33 -0.41 0.00 -0.26 0.00 0.00 58.87 57.70 1qhp n SER 41 Cb 0.61 0.78 -0.08 0.00 -0.26 0.00 0.00 64.21 65.26 1qhp n SER 41 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1qhp s LYS 42 N -0.89 2.60 0.17 4.33 1.02 -1.26 -4.98 119.74 120.73 1qhp s LYS 42 Ca 0.00 -1.66 0.18 0.00 0.02 0.00 0.00 55.97 54.52 1qhp s LYS 42 Cb 0.00 -3.94 0.81 0.00 -0.52 0.00 0.00 37.83 34.18 1qhp s LYS 42 CO 0.00 -1.14 1.57 0.91 -0.92 0.00 0.00 175.35 175.77 1qhp n TRP 43 N 4.97 0.49 -0.64 3.18 7.02 -1.26 -2.07 117.44 129.13 1qhp n TRP 43 Ca -0.09 0.21 0.07 0.00 -1.02 0.00 0.00 57.50 56.67 1qhp n TRP 43 Cb 0.41 -0.84 0.22 0.00 -2.42 0.00 0.00 31.31 28.68 1qhp n TRP 43 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 1qhp n LYS 44 N -1.96 2.93 -3.06 -0.99 5.02 -1.26 -4.91 118.16 113.92 1qhp n LYS 44 Ca 0.02 -2.51 -0.18 0.00 -2.02 0.00 0.00 58.31 53.62 1qhp n LYS 44 Cb 0.16 -1.60 0.01 0.00 -0.02 0.00 0.00 35.03 33.58 1qhp n LYS 44 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1qhp s MET 45 N -2.04 2.86 0.11 1.97 -1.94 -0.88 -1.16 119.30 118.22 1qhp s MET 45 Ca 0.34 -1.15 -0.30 0.00 -1.71 0.00 0.00 55.69 52.87 1qhp s MET 45 Cb 0.25 -2.74 -0.07 0.00 2.01 0.00 0.00 34.83 34.28 1qhp s MET 45 CO 0.12 -0.25 1.19 0.71 -0.01 0.00 0.00 175.02 176.78 1qhp s TYR 46 N -2.36 3.45 -0.72 -0.03 1.51 -0.04 -4.83 117.35 114.33 1qhp s TYR 46 Ca 0.53 1.36 0.21 0.00 -1.01 0.00 0.00 57.07 58.16 1qhp s TYR 46 Cb -0.10 -3.42 -0.25 0.00 -0.11 0.00 0.00 41.96 38.08 1qhp s TYR 46 CO 0.33 -1.22 0.77 0.91 -1.11 0.00 0.00 175.55 175.23 1qhp n TRP 47 N 3.32 0.00 0.00 2.71 8.01 -1.26 -0.77 117.44 129.45 1qhp n TRP 47 Ca 0.07 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.26 1qhp n TRP 47 Cb 0.46 -0.13 0.00 0.00 -2.01 0.00 0.00 31.31 29.63 1qhp n TRP 47 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1qhp n GLY 48 N 1.43 0.81 3.75 6.99 0.00 -1.24 -4.89 105.19 112.05 1qhp n GLY 48 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 1qhp n GLY 48 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1qhp s GLY 49 N -0.85 2.75 0.32 -0.02 0.00 0.57 -4.32 107.32 105.76 1qhp s GLY 49 Ca 0.00 1.01 -0.04 0.00 0.00 0.00 0.00 44.72 45.69 1qhp s GLY 49 CO 0.00 1.41 0.49 2.09 0.00 0.00 0.00 173.10 177.08 1qhp n ASP 50 N -1.58 -1.37 -0.09 1.64 5.68 -0.70 -3.82 116.55 116.31 1qhp n ASP 50 Ca 0.14 -2.61 -0.05 0.00 -0.50 0.00 0.00 54.79 51.77 1qhp n ASP 50 Cb 0.50 2.48 0.15 0.00 -1.14 0.00 0.00 41.12 43.10 1qhp n ASP 50 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 1qhp h LEU 51 N 0.00 0.73 -1.33 -2.12 3.38 -1.63 -2.44 115.31 111.90 1qhp h LEU 51 Ca -0.25 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.45 1qhp h LEU 51 Cb 1.05 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 1qhp h LEU 51 CO 0.33 0.86 -0.20 -0.08 0.09 0.00 0.00 178.44 179.45 1qhp h GLU 52 N 0.68 0.20 -0.63 1.13 4.57 -1.88 -1.37 114.58 117.28 1qhp h GLU 52 Ca 0.12 -0.06 -0.09 0.00 -1.18 0.00 0.00 59.36 58.16 1qhp h GLU 52 Cb 0.56 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.10 1qhp h GLU 52 CO 0.03 0.40 0.06 0.78 -1.18 0.00 0.00 179.01 179.10 1qhp h GLY 53 N 0.84 1.15 0.99 1.92 0.00 -1.56 0.29 103.07 106.70 1qhp h GLY 53 Ca 0.04 -0.81 -0.03 0.00 0.00 0.00 0.00 47.33 46.52 1qhp h GLY 53 CO 0.03 0.74 0.22 -2.08 0.00 0.00 0.00 176.54 175.46 1qhp h VAL 54 N 0.98 1.23 -0.66 4.60 2.07 -0.98 -2.62 116.25 120.86 1qhp h VAL 54 Ca 0.18 -0.71 -0.06 0.00 0.82 0.00 0.00 66.70 66.93 1qhp h VAL 54 Cb 0.49 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 1qhp h VAL 54 CO 0.02 0.27 0.17 -0.09 0.02 0.00 0.00 177.57 177.96 1qhp h ARG 55 N 0.78 1.03 0.00 1.57 2.43 -0.70 -1.56 114.38 117.93 1qhp h ARG 55 Ca 0.19 -0.23 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 1qhp h ARG 55 Cb 0.21 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.61 1qhp h ARG 55 CO -0.01 0.91 -0.03 1.96 -1.51 0.00 0.00 179.97 181.28 1qhp h GLN 56 N 0.98 0.00 -0.58 0.20 4.20 -0.72 -2.72 115.11 116.47 1qhp h GLN 56 Ca 0.21 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.92 1qhp h GLN 56 Cb 0.33 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.11 1qhp h GLN 56 CO -0.00 0.03 0.00 1.63 -0.67 0.00 0.00 178.83 179.82 1qhp n LYS 57 N -3.17 4.18 -0.35 1.46 4.76 -0.60 -4.59 118.16 119.84 1qhp n LYS 57 Ca -0.00 -3.00 0.00 0.00 -2.87 0.00 0.00 58.31 52.44 1qhp n LYS 57 Cb 0.26 -2.04 0.14 0.00 -1.84 0.00 0.00 35.03 31.55 1qhp n LYS 57 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1qhp h LEU 58 N 3.81 1.02 -1.04 -0.35 3.38 -1.33 -1.69 115.31 119.10 1qhp h LEU 58 Ca 0.00 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1qhp h LEU 58 Cb 1.68 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 42.16 1qhp h LEU 58 CO 0.34 0.68 0.65 -0.65 0.09 0.00 0.00 178.44 179.55 1qhp h PRO 59 N 1.18 1.28 -0.16 1.13 0.11 -1.85 0.21 132.00 133.90 1qhp h PRO 59 Ca 0.39 -0.08 -0.02 0.00 0.11 0.00 0.00 66.00 66.41 1qhp h PRO 59 Cb 0.06 -0.29 -0.01 0.00 0.11 0.00 0.00 31.00 30.88 1qhp h PRO 59 CO -0.14 0.85 0.03 -0.92 -0.21 0.00 0.00 178.00 177.61 1qhp h TYR 60 N 1.32 0.27 -0.67 0.65 3.20 -1.74 -1.19 116.97 118.81 1qhp h TYR 60 Ca 0.36 -0.04 -0.07 0.00 3.14 0.00 0.00 58.73 62.12 1qhp h TYR 60 Cb -0.14 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.02 1qhp h TYR 60 CO -0.00 0.42 0.13 -0.07 -1.64 0.00 0.00 178.16 177.00 1qhp h LEU 61 N 0.05 1.03 -0.37 2.82 3.38 -0.80 -0.82 115.31 120.61 1qhp h LEU 61 Ca 0.05 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 1qhp h LEU 61 Cb 0.29 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1qhp h LEU 61 CO 0.00 1.01 0.21 0.50 0.09 0.00 0.00 178.44 180.25 1qhp h LYS 62 N 1.02 0.52 -0.46 1.13 3.64 -0.45 -1.73 116.57 120.24 1qhp h LYS 62 Ca 0.21 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.48 1qhp h LYS 62 Cb 0.41 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 1qhp h LYS 62 CO 0.01 0.43 0.08 0.37 -2.27 0.00 0.00 179.45 178.06 1qhp h GLN 63 N 0.48 0.72 0.00 1.90 4.15 -0.94 -1.82 115.11 119.60 1qhp h GLN 63 Ca 0.13 -0.15 -0.02 0.00 0.77 0.00 0.00 58.65 59.38 1qhp h GLN 63 Cb 0.06 -0.11 -0.00 0.00 0.21 0.00 0.00 27.48 27.64 1qhp h GLN 63 CO -0.02 0.68 -0.08 1.25 -1.93 0.00 0.00 178.83 178.72 1qhp h LEU 64 N 0.69 0.00 0.00 -2.39 5.85 -0.84 -3.44 115.31 115.18 1qhp h LEU 64 Ca 0.15 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.87 1qhp h LEU 64 Cb 0.31 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.34 1qhp h LEU 64 CO 0.00 0.08 0.00 0.61 -0.34 0.00 0.00 178.44 178.80 1qhp n GLY 65 N -0.99 1.14 3.72 3.75 0.00 -0.68 -2.23 105.19 109.90 1qhp n GLY 65 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1qhp n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qhp s VAL 66 N -2.00 3.36 0.00 1.61 1.01 -0.68 -4.37 120.40 119.33 1qhp s VAL 66 Ca 0.00 1.03 0.00 0.00 0.00 0.00 0.00 61.98 63.01 1qhp s VAL 66 Cb 0.00 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.72 1qhp s VAL 66 CO 0.00 0.11 0.13 0.35 0.00 0.00 0.00 175.10 175.69 1qhp n THR 67 N 3.42 0.00 -3.70 3.92 -2.24 -0.53 -4.56 114.28 110.58 1qhp n THR 67 Ca 0.09 -0.42 -0.15 0.00 -2.27 0.00 0.00 64.05 61.29 1qhp n THR 67 Cb 0.43 1.05 -0.15 0.00 -2.10 0.00 0.00 70.33 69.56 1qhp n THR 67 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1qhp s THR 68 N -0.59 -0.17 -0.17 4.28 2.01 -0.94 -0.32 115.64 119.74 1qhp s THR 68 Ca 0.00 0.27 -0.14 0.00 0.31 0.00 0.00 61.69 62.13 1qhp s THR 68 Cb 0.00 -0.28 -0.04 0.00 0.01 0.00 0.00 72.50 72.19 1qhp s THR 68 CO 0.00 0.11 0.32 -0.63 -0.69 0.00 0.00 174.62 173.73 1qhp s ILE 69 N 1.79 5.28 -0.44 1.82 1.01 0.73 -1.23 121.20 130.17 1qhp s ILE 69 Ca -0.03 0.59 -0.17 0.00 0.00 0.00 0.00 60.65 61.05 1qhp s ILE 69 Cb -0.12 -3.66 0.03 0.00 0.01 0.00 0.00 42.46 38.73 1qhp s ILE 69 CO -0.06 0.36 0.43 0.86 0.00 0.00 0.00 174.94 176.53 1qhp s TRP 70 N 0.63 3.18 0.00 3.97 -0.00 0.15 -0.44 118.94 126.43 1qhp s TRP 70 Ca 0.17 -0.51 -0.23 0.00 -0.00 0.00 0.00 56.10 55.54 1qhp s TRP 70 Cb -0.13 -2.95 -0.05 0.00 -0.00 0.00 0.00 33.47 30.33 1qhp s TRP 70 CO 0.05 -0.73 0.67 -0.51 -0.00 0.00 0.00 176.95 176.43 1qhp s LEU 71 N 2.05 4.41 1.05 5.86 1.43 -0.43 -1.01 118.68 132.04 1qhp s LEU 71 Ca 0.10 1.26 -0.12 0.00 -1.03 0.00 0.00 54.13 54.35 1qhp s LEU 71 Cb -0.19 -3.05 0.22 0.00 0.03 0.00 0.00 46.19 43.20 1qhp s LEU 71 CO 0.12 0.03 1.07 -0.94 0.23 0.00 0.00 176.35 176.87 1qhp s SER 72 N 0.03 1.92 0.21 2.29 1.04 -0.17 -1.22 113.70 117.79 1qhp s SER 72 Ca 0.35 1.70 -0.32 0.00 0.48 0.00 0.00 55.95 58.16 1qhp s SER 72 Cb -0.19 -2.35 -0.14 0.00 0.10 0.00 0.00 66.02 63.44 1qhp s SER 72 CO 0.19 -3.65 1.39 -2.65 0.98 0.00 0.00 173.24 169.50 1qhp n PRO 73 N -4.56 1.85 0.00 4.02 -0.02 -1.25 -4.44 135.00 130.60 1qhp n PRO 73 Ca 0.06 0.66 0.08 0.00 -2.02 0.00 0.00 63.50 62.29 1qhp n PRO 73 Cb 0.54 -2.31 -0.01 0.00 -0.02 0.00 0.00 33.50 31.70 1qhp n PRO 73 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1qhp n VAL 74 N 2.08 0.00 -2.75 -1.45 0.24 -1.26 -4.62 118.33 110.57 1qhp n VAL 74 Ca 0.13 -0.30 -0.29 0.00 -2.04 0.00 0.00 64.34 61.84 1qhp n VAL 74 Cb 0.29 1.18 -0.02 0.00 -1.47 0.00 0.00 33.84 33.83 1qhp n VAL 74 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1qhp s LEU 75 N -2.17 3.73 -0.20 1.34 1.43 -1.26 -0.53 118.68 121.02 1qhp s LEU 75 Ca 0.13 1.01 -0.35 0.00 -1.03 0.00 0.00 54.13 53.89 1qhp s LEU 75 Cb 0.14 -3.93 -0.12 0.00 0.03 0.00 0.00 46.19 42.30 1qhp s LEU 75 CO 0.45 -0.49 1.94 -0.67 0.23 0.00 0.00 176.35 177.81 1qhp n ASP 76 N -1.80 2.92 -4.97 2.29 2.03 0.68 -4.01 116.55 113.69 1qhp n ASP 76 Ca 0.01 0.84 -0.21 0.00 0.52 0.00 0.00 54.79 55.95 1qhp n ASP 76 Cb 0.55 -1.30 -0.02 0.00 -0.72 0.00 0.00 41.12 39.62 1qhp n ASP 76 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 1qhp s ASN 77 N 4.90 6.25 -0.01 1.67 0.02 -1.26 -0.43 114.94 126.08 1qhp s ASN 77 Ca 0.98 0.05 -0.01 0.00 -1.02 0.00 0.00 52.86 52.86 1qhp s ASN 77 Cb -0.80 -1.76 -0.01 0.00 0.02 0.00 0.00 41.25 38.71 1qhp s ASN 77 CO 0.54 -0.15 0.04 -0.11 0.02 0.00 0.00 177.10 177.44 1qhp n LEU 78 N -1.48 0.02 -0.62 0.60 7.94 -0.41 -4.64 117.00 118.41 1qhp n LEU 78 Ca -0.07 0.04 0.12 0.00 -1.11 0.00 0.00 56.01 54.99 1qhp n LEU 78 Cb 0.57 -0.03 0.39 0.00 0.53 0.00 0.00 43.42 44.88 1qhp n LEU 78 CO 0.45 -0.05 0.79 0.47 -1.11 0.00 0.00 177.39 177.94 1qhp n ASP 79 N 0.09 1.89 -4.64 1.96 8.00 -1.26 -4.58 116.55 118.00 1qhp n ASP 79 Ca 0.01 -1.68 -0.32 0.00 0.71 0.00 0.00 54.79 53.51 1qhp n ASP 79 Cb 0.00 -0.07 -0.08 0.00 -0.02 0.00 0.00 41.12 40.96 1qhp n ASP 79 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1qhp s THR 80 N -1.86 1.04 0.64 -3.53 -4.23 -1.26 -4.52 115.64 101.91 1qhp s THR 80 Ca 0.35 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.74 1qhp s THR 80 Cb 0.20 -2.18 -0.02 0.00 1.34 0.00 0.00 72.50 71.84 1qhp s THR 80 CO 0.30 0.00 1.04 -0.76 -0.54 0.00 0.00 174.62 174.66 1qhp s LEU 81 N -3.83 3.23 -0.55 4.79 1.43 -1.26 -4.73 118.68 117.75 1qhp s LEU 81 Ca 0.08 1.53 0.07 0.00 -1.03 0.00 0.00 54.13 54.78 1qhp s LEU 81 Cb 0.02 -4.49 0.29 0.00 0.03 0.00 0.00 46.19 42.04 1qhp s LEU 81 CO 0.05 -1.11 0.78 0.00 0.23 0.00 0.00 176.35 176.29 1qhp n ALA 82 N -2.80 3.77 0.00 4.21 0.00 0.18 -4.23 120.51 121.63 1qhp n ALA 82 Ca 0.07 -4.37 0.00 0.00 0.00 0.00 0.00 53.44 49.13 1qhp n ALA 82 Cb 0.54 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 19.15 1qhp n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qhp n GLY 83 N 0.50 -0.45 3.50 0.00 0.00 -1.26 -4.64 105.19 102.83 1qhp n GLY 83 Ca 0.28 -1.79 -0.54 0.00 0.00 0.00 0.00 46.02 43.97 1qhp n GLY 83 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1qhp n THR 84 N -0.49 0.21 -4.27 2.61 -1.04 -1.26 -2.00 114.28 108.04 1qhp n THR 84 Ca 0.00 -0.15 -0.37 0.00 -2.04 0.00 0.00 64.05 61.48 1qhp n THR 84 Cb 0.00 -1.35 -0.03 0.00 -1.82 0.00 0.00 70.33 67.13 1qhp n THR 84 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1qhp n ASP 85 N 8.08 -3.08 -4.05 8.00 8.00 -1.26 -4.92 116.55 127.33 1qhp n ASP 85 Ca 0.38 -1.05 -0.31 0.00 0.71 0.00 0.00 54.79 54.53 1qhp n ASP 85 Cb 0.16 -2.60 -0.16 0.00 -0.02 0.00 0.00 41.12 38.50 1qhp n ASP 85 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1qhp s ASN 86 N -3.30 3.01 0.24 -2.24 3.84 -0.85 -3.87 114.94 111.77 1qhp s ASN 86 Ca 0.75 -0.64 0.02 0.00 0.21 0.00 0.00 52.86 53.20 1qhp s ASN 86 Cb -0.41 -1.29 -0.05 0.00 -0.55 0.00 0.00 41.25 38.95 1qhp s ASN 86 CO 0.94 -0.06 0.05 0.42 -2.79 0.00 0.00 177.10 175.66 1qhp s THR 87 N 1.40 0.75 -0.03 -5.21 -4.23 -0.31 -0.65 115.64 107.37 1qhp s THR 87 Ca 0.03 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.54 1qhp s THR 87 Cb -0.14 -2.45 0.04 0.00 1.34 0.00 0.00 72.50 71.29 1qhp s THR 87 CO -0.11 -0.20 1.24 0.61 -0.54 0.00 0.00 174.62 175.62 1qhp n GLY 88 N -0.41 2.25 0.42 3.99 0.00 -1.26 -4.47 105.19 105.70 1qhp n GLY 88 Ca -0.03 -0.08 0.22 0.00 0.00 0.00 0.00 46.02 46.13 1qhp n GLY 88 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 1qhp h TYR 89 N 0.25 0.49 0.00 1.61 -0.00 -1.89 -0.82 116.97 116.62 1qhp h TYR 89 Ca 0.04 0.02 -0.04 0.00 -0.00 0.00 0.00 58.73 58.74 1qhp h TYR 89 Cb 1.09 -0.15 -0.01 0.00 -0.00 0.00 0.00 36.73 37.66 1qhp h TYR 89 CO 0.13 0.10 -0.18 1.12 -0.00 0.00 0.00 178.16 179.33 1qhp h HIS 90 N 0.34 0.00 0.00 0.10 2.07 -1.94 -3.40 115.15 112.32 1qhp h HIS 90 Ca 0.51 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.03 1qhp h HIS 90 Cb 1.39 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.37 1qhp h HIS 90 CO -0.00 0.18 0.00 0.41 -3.07 0.00 0.00 177.93 175.45 1qhp n GLY 91 N 0.30 0.71 0.58 6.13 0.00 -0.31 -4.25 105.19 108.36 1qhp n GLY 91 Ca 0.01 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.14 1qhp n GLY 91 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1qhp n TYR 92 N -2.08 0.18 -3.74 1.61 4.01 -1.26 -4.47 117.16 111.41 1qhp n TYR 92 Ca 0.00 -0.09 -0.32 0.00 -0.16 0.00 0.00 57.90 57.33 1qhp n TYR 92 Cb 0.00 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 38.94 1qhp n TYR 92 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 1qhp n TRP 93 N 0.38 3.70 -2.93 -0.72 8.01 -1.26 -4.91 117.44 119.71 1qhp n TRP 93 Ca 0.17 -4.20 -0.41 0.00 -1.31 0.00 0.00 57.50 51.75 1qhp n TRP 93 Cb 0.36 -0.86 -0.04 0.00 -2.01 0.00 0.00 31.31 28.76 1qhp n TRP 93 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.69 177.67 1qhp s THR 94 N -1.53 4.92 -0.08 -0.99 2.01 -1.02 -1.29 115.64 117.67 1qhp s THR 94 Ca 0.27 1.58 0.22 0.00 0.31 0.00 0.00 61.69 64.07 1qhp s THR 94 Cb -0.04 -4.11 -0.27 0.00 0.01 0.00 0.00 72.50 68.08 1qhp s THR 94 CO -0.14 0.08 0.54 -2.11 -0.69 0.00 0.00 174.62 172.31 1qhp n ARG 95 N 4.86 0.65 -3.38 4.92 1.85 0.43 -4.10 116.66 121.90 1qhp n ARG 95 Ca 0.03 -0.12 -0.12 0.00 -1.00 0.00 0.00 57.85 56.64 1qhp n ARG 95 Cb 0.49 -1.58 -0.09 0.00 -1.05 0.00 0.00 32.46 30.24 1qhp n ARG 95 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1qhp s ASP 96 N -4.77 0.76 0.00 2.89 -1.08 -1.07 -0.29 116.67 113.11 1qhp s ASP 96 Ca -0.07 -0.17 0.25 0.00 -0.52 0.00 0.00 52.55 52.05 1qhp s ASP 96 Cb 0.12 0.86 1.51 0.00 -1.46 0.00 0.00 42.92 43.96 1qhp s ASP 96 CO 0.88 -0.33 1.88 0.49 0.52 0.00 0.00 175.17 178.61 1qhp n PHE 97 N 5.34 0.00 0.78 -5.34 3.01 -1.26 -2.93 117.46 117.07 1qhp n PHE 97 Ca -0.03 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.52 1qhp n PHE 97 Cb 0.49 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.92 1qhp n PHE 97 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1qhp n LYS 98 N -0.99 1.55 -4.60 -1.08 4.76 -1.26 -4.75 118.16 111.78 1qhp n LYS 98 Ca 0.19 -0.53 -0.26 0.00 -2.87 0.00 0.00 58.31 54.84 1qhp n LYS 98 Cb 0.09 -1.31 -0.14 0.00 -1.84 0.00 0.00 35.03 31.83 1qhp n LYS 98 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1qhp s GLN 99 N -2.24 1.39 0.36 1.97 -0.21 -1.21 -4.85 119.66 114.88 1qhp s GLN 99 Ca 0.11 -1.02 -0.26 0.00 0.02 0.00 0.00 55.36 54.22 1qhp s GLN 99 Cb 0.14 -1.55 -0.09 0.00 1.00 0.00 0.00 33.01 32.50 1qhp s GLN 99 CO 0.54 0.39 1.10 0.42 -2.12 0.00 0.00 175.29 175.62 1qhp s ILE 100 N -0.88 3.47 0.13 1.08 -1.09 -1.26 -0.23 121.20 122.42 1qhp s ILE 100 Ca 0.08 1.26 -0.32 0.00 -2.23 0.00 0.00 60.65 59.44 1qhp s ILE 100 Cb -0.09 -3.72 -0.12 0.00 -1.58 0.00 0.00 42.46 36.95 1qhp s ILE 100 CO 0.02 0.14 1.78 1.21 -1.23 0.00 0.00 174.94 176.86 1qhp n GLU 101 N 0.38 2.64 0.25 2.79 4.07 0.31 -4.32 120.64 126.75 1qhp n GLU 101 Ca 0.03 0.96 0.10 0.00 -0.06 0.00 0.00 57.16 58.18 1qhp n GLU 101 Cb 0.47 -2.82 0.63 0.00 -0.06 0.00 0.00 31.44 29.66 1qhp n GLU 101 CO 0.00 0.00 0.00 1.05 -0.06 0.00 0.00 177.13 178.12 1qhp h GLU 102 N 7.79 0.00 0.00 5.31 9.09 -1.91 0.32 114.58 135.17 1qhp h GLU 102 Ca -0.46 0.00 -0.03 0.00 0.05 0.00 0.00 59.36 58.92 1qhp h GLU 102 Cb 1.23 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.32 1qhp h GLU 102 CO 0.94 0.16 -0.16 0.45 0.05 0.00 0.00 179.01 180.45 1qhp h HIS 103 N 0.00 0.00 0.00 2.06 3.86 -1.90 -3.20 115.15 115.97 1qhp h HIS 103 Ca -0.00 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.18 1qhp h HIS 103 Cb 0.36 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.83 1qhp h HIS 103 CO 0.00 0.16 -1.82 1.19 0.86 0.00 0.00 177.93 178.33 1qhp n PHE 104 N -3.61 0.22 -0.87 2.45 3.72 0.05 -4.69 117.46 114.73 1qhp n PHE 104 Ca -0.01 0.06 0.00 0.00 -0.05 0.00 0.00 57.45 57.45 1qhp n PHE 104 Cb 0.30 -0.64 0.00 0.00 -0.94 0.00 0.00 39.48 38.20 1qhp n PHE 104 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1qhp n GLY 105 N 1.28 0.50 0.24 1.37 0.00 -0.89 -1.66 105.19 106.03 1qhp n GLY 105 Ca -0.05 -1.58 -0.02 0.00 0.00 0.00 0.00 46.02 44.37 1qhp n GLY 105 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1qhp n ASN 106 N 0.00 0.91 0.00 1.61 0.23 -1.26 -4.10 115.26 112.65 1qhp n ASN 106 Ca 0.00 -1.16 0.01 0.00 -0.53 0.00 0.00 54.58 52.90 1qhp n ASN 106 Cb 0.00 0.08 0.34 0.00 -2.08 0.00 0.00 39.78 38.11 1qhp n ASN 106 CO 0.00 0.00 0.00 -0.50 -0.93 0.00 0.00 177.26 175.83 1qhp h TRP 107 N 1.05 0.53 -0.69 -2.53 4.06 -1.98 -1.42 115.95 114.97 1qhp h TRP 107 Ca -0.02 -0.03 -0.00 0.00 2.06 0.00 0.00 58.89 60.89 1qhp h TRP 107 Cb 0.09 -0.16 -0.03 0.00 -1.00 0.00 0.00 29.16 28.05 1qhp h TRP 107 CO 0.00 0.47 0.43 1.15 -3.56 0.00 0.00 178.44 176.93 1qhp h THR 108 N 0.52 1.20 -0.73 1.49 2.02 -1.99 0.29 112.91 115.71 1qhp h THR 108 Ca 0.12 -0.42 -0.01 0.00 0.77 0.00 0.00 66.41 66.87 1qhp h THR 108 Cb 0.21 0.22 -0.03 0.00 -1.74 0.00 0.00 68.15 66.81 1qhp h THR 108 CO -0.00 0.20 0.41 0.74 0.37 0.00 0.00 175.52 177.23 1qhp h THR 109 N 0.94 1.22 -0.20 3.16 2.02 -1.71 -0.12 112.91 118.23 1qhp h THR 109 Ca 0.25 -0.54 -0.01 0.00 0.77 0.00 0.00 66.41 66.87 1qhp h THR 109 Cb -0.05 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 66.61 1qhp h THR 109 CO -0.05 0.24 0.07 0.15 0.37 0.00 0.00 175.52 176.30 1qhp h PHE 110 N 1.00 0.32 -0.63 3.16 3.57 -1.06 -1.14 116.94 122.16 1qhp h PHE 110 Ca 0.26 -0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.77 1qhp h PHE 110 Cb 0.03 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 38.63 1qhp h PHE 110 CO -0.00 0.39 0.38 -0.44 -2.23 0.00 0.00 178.31 176.40 1qhp h ASP 111 N 0.15 0.60 -0.37 0.41 3.32 -0.64 -0.99 116.42 118.91 1qhp h ASP 111 Ca 0.06 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 1qhp h ASP 111 Cb 0.21 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 1qhp h ASP 111 CO -0.00 0.41 0.14 0.74 -1.72 0.00 0.00 179.24 178.80 1qhp h THR 112 N 0.73 1.19 -0.19 0.35 2.02 -0.85 0.11 112.91 116.27 1qhp h THR 112 Ca 0.27 -0.61 0.01 0.00 0.77 0.00 0.00 66.41 66.85 1qhp h THR 112 Cb 0.07 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 67.38 1qhp h THR 112 CO -0.13 0.22 0.10 0.25 0.37 0.00 0.00 175.52 176.32 1qhp h LEU 113 N 0.45 0.15 -0.48 2.58 5.85 -0.92 -0.50 115.31 122.43 1qhp h LEU 113 Ca 0.12 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 1qhp h LEU 113 Cb 0.20 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 1qhp h LEU 113 CO -0.01 0.12 0.21 0.58 -0.34 0.00 0.00 178.44 179.00 1qhp h VAL 114 N 0.21 1.20 -0.72 1.05 2.07 -0.97 0.95 116.25 120.05 1qhp h VAL 114 Ca 0.08 -0.61 -0.06 0.00 0.82 0.00 0.00 66.70 66.93 1qhp h VAL 114 Cb 0.01 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 1qhp h VAL 114 CO -0.05 0.23 0.20 0.78 0.02 0.00 0.00 177.57 178.75 1qhp h ASN 115 N 0.64 1.07 0.06 0.57 -0.26 -0.67 -0.94 115.58 116.05 1qhp h ASN 115 Ca 0.16 -0.22 -0.17 0.00 -0.56 0.00 0.00 56.30 55.51 1qhp h ASN 115 Cb 0.17 -0.28 -0.00 0.00 -1.06 0.00 0.00 38.32 37.14 1qhp h ASN 115 CO -0.02 1.01 -0.61 0.44 -1.06 0.00 0.00 177.43 177.19 1qhp h ASP 116 N 1.07 0.62 -0.06 5.81 5.19 -0.88 -1.14 116.42 127.03 1qhp h ASP 116 Ca 0.23 -0.36 0.01 0.00 -0.62 0.00 0.00 57.03 56.29 1qhp h ASP 116 Cb 0.34 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 39.67 1qhp h ASP 116 CO -0.00 1.09 0.02 0.00 -3.12 0.00 0.00 179.24 177.22 1qhp h ALA 117 N 0.92 0.07 -1.00 3.45 0.00 -0.60 -2.12 119.26 119.98 1qhp h ALA 117 Ca -0.01 0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1qhp h ALA 117 Cb 1.17 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.91 1qhp h ALA 117 CO 0.11 -0.45 0.66 0.45 0.00 0.00 0.00 179.25 180.02 1qhp h HIS 118 N 0.05 1.23 -0.14 0.00 3.86 -1.02 0.08 115.15 119.22 1qhp h HIS 118 Ca 0.03 0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.28 1qhp h HIS 118 Cb 0.01 -0.41 -0.01 0.00 1.06 0.00 0.00 27.41 28.06 1qhp h HIS 118 CO -0.09 0.72 0.09 1.96 0.86 0.00 0.00 177.93 181.47 1qhp h GLN 119 N 1.28 0.13 -0.43 2.45 4.20 -0.83 -1.63 115.11 120.29 1qhp h GLN 119 Ca 0.39 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.10 1qhp h GLN 119 Cb -0.02 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.73 1qhp h GLN 119 CO -0.12 0.09 0.00 0.09 -0.67 0.00 0.00 178.83 178.22 1qhp n ASN 120 N -4.51 2.17 -0.83 1.46 3.02 -0.15 -4.91 115.26 111.51 1qhp n ASN 120 Ca -0.01 -2.06 -0.08 0.00 -0.03 0.00 0.00 54.58 52.40 1qhp n ASN 120 Cb 0.12 -0.29 -0.01 0.00 -0.61 0.00 0.00 39.78 38.98 1qhp n ASN 120 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qhp n GLY 121 N 0.99 0.35 3.25 7.41 0.00 -0.61 -4.98 105.19 111.60 1qhp n GLY 121 Ca 0.13 -0.59 -0.32 0.00 0.00 0.00 0.00 46.02 45.24 1qhp n GLY 121 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qhp s ILE 122 N -2.37 2.21 0.51 -0.61 1.01 -0.27 -4.82 121.20 116.85 1qhp s ILE 122 Ca 0.00 -0.97 -0.01 0.00 0.00 0.00 0.00 60.65 59.66 1qhp s ILE 122 Cb 0.00 -1.85 0.01 0.00 0.01 0.00 0.00 42.46 40.63 1qhp s ILE 122 CO 0.00 0.56 0.76 -0.54 0.00 0.00 0.00 174.94 175.71 1qhp s LYS 123 N 0.27 2.93 -0.11 2.79 1.02 0.56 -2.85 119.74 124.35 1qhp s LYS 123 Ca -0.16 -0.39 -0.00 0.00 0.02 0.00 0.00 55.97 55.44 1qhp s LYS 123 Cb -0.17 -2.46 0.02 0.00 -0.52 0.00 0.00 37.83 34.70 1qhp s LYS 123 CO 0.08 -0.48 -0.07 0.08 -0.92 0.00 0.00 175.35 174.04 1qhp s VAL 124 N -2.72 1.00 0.04 3.17 1.01 -1.26 -0.19 120.40 121.45 1qhp s VAL 124 Ca 0.51 -0.28 0.04 0.00 0.00 0.00 0.00 61.98 62.25 1qhp s VAL 124 Cb -0.10 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.22 1qhp s VAL 124 CO 0.40 0.36 -0.03 0.27 0.00 0.00 0.00 175.10 176.10 1qhp s ILE 125 N 1.69 3.85 -0.07 2.22 -4.36 0.42 -0.14 121.20 124.80 1qhp s ILE 125 Ca 0.04 -0.86 0.03 0.00 -0.26 0.00 0.00 60.65 59.60 1qhp s ILE 125 Cb -0.13 -2.75 -0.02 0.00 1.25 0.00 0.00 42.46 40.81 1qhp s ILE 125 CO -0.08 0.27 -0.14 -0.69 0.24 0.00 0.00 174.94 174.54 1qhp s VAL 126 N -1.14 3.02 -0.17 8.37 1.01 -0.64 -1.32 120.40 129.54 1qhp s VAL 126 Ca 0.21 -0.72 -0.29 0.00 0.00 0.00 0.00 61.98 61.18 1qhp s VAL 126 Cb -0.11 -2.20 -0.02 0.00 0.00 0.00 0.00 36.38 34.05 1qhp s VAL 126 CO 0.12 0.57 1.32 -0.62 0.00 0.00 0.00 175.10 176.50 1qhp s ASP 127 N -0.41 6.87 -0.06 3.32 -1.08 -0.36 -1.09 116.67 123.87 1qhp s ASP 127 Ca 0.05 1.71 0.05 0.00 -0.52 0.00 0.00 52.55 53.84 1qhp s ASP 127 Cb -0.12 -2.54 -0.01 0.00 -1.46 0.00 0.00 42.92 38.79 1qhp s ASP 127 CO 0.02 -0.82 -0.23 0.12 0.52 0.00 0.00 175.17 174.78 1qhp s PHE 128 N 3.69 2.50 -0.60 -5.34 5.36 -0.01 -3.91 117.98 119.67 1qhp s PHE 128 Ca 0.58 -0.61 0.06 0.00 -0.96 0.00 0.00 56.93 55.99 1qhp s PHE 128 Cb -0.23 -1.62 0.22 0.00 -0.34 0.00 0.00 43.02 41.05 1qhp s PHE 128 CO 0.17 -0.14 0.60 0.28 -1.46 0.00 0.00 175.22 174.67 1qhp n VAL 129 N 2.86 1.38 1.16 3.12 0.31 -1.26 -0.34 118.33 125.56 1qhp n VAL 129 Ca -0.17 -4.78 0.12 0.00 -0.01 0.00 0.00 64.34 59.50 1qhp n VAL 129 Cb 0.52 -2.07 0.62 0.00 -0.91 0.00 0.00 33.84 32.01 1qhp n VAL 129 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1qhp n PRO 130 N 1.45 0.33 0.12 5.55 -0.04 -1.26 -3.88 135.00 137.26 1qhp n PRO 130 Ca 0.26 0.05 -0.03 0.00 -0.04 0.00 0.00 63.50 63.74 1qhp n PRO 130 Cb 0.41 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.50 1qhp n PRO 130 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 1qhp h ASN 131 N 0.00 0.06 -5.08 3.54 -1.24 -1.90 -3.44 115.58 107.52 1qhp h ASN 131 Ca 0.00 -0.04 0.03 0.00 0.71 0.00 0.00 56.30 57.00 1qhp h ASN 131 Cb 0.25 -0.02 -0.06 0.00 0.73 0.00 0.00 38.32 39.22 1qhp h ASN 131 CO 0.00 0.71 0.11 -1.38 -1.29 0.00 0.00 177.43 175.59 1qhp s HIS 132 N -3.52 -0.01 0.00 0.67 -3.43 -1.25 -1.73 115.29 106.01 1qhp s HIS 132 Ca -0.02 -0.41 0.00 0.00 -0.80 0.00 0.00 55.06 53.83 1qhp s HIS 132 Cb 0.12 0.54 0.00 0.00 -1.43 0.00 0.00 32.58 31.81 1qhp s HIS 132 CO 0.78 -1.15 0.00 -1.13 -2.00 0.00 0.00 174.74 171.24 1qhp n SER 133 N -0.43 0.00 -4.37 7.38 3.41 -0.50 -4.47 113.62 114.64 1qhp n SER 133 Ca -0.03 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.34 1qhp n SER 133 Cb 0.60 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.45 1qhp n SER 133 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1qhp s THR 134 N 1.42 1.00 0.33 6.66 -4.23 -1.26 -2.44 115.64 117.12 1qhp s THR 134 Ca 0.00 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.22 1qhp s THR 134 Cb 0.00 -2.63 -0.12 0.00 1.34 0.00 0.00 72.50 71.09 1qhp s THR 134 CO 0.00 0.00 1.36 -2.65 -0.54 0.00 0.00 174.62 172.79 1qhp n PRO 135 N -0.78 2.25 -3.77 3.99 -0.02 -1.26 -2.27 135.00 133.15 1qhp n PRO 135 Ca -0.04 0.79 -0.10 0.00 -2.02 0.00 0.00 63.50 62.13 1qhp n PRO 135 Cb 0.66 -2.42 -0.05 0.00 -0.02 0.00 0.00 33.50 31.66 1qhp n PRO 135 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 1qhp s PHE 136 N -0.87 0.01 -0.14 6.00 -0.71 0.61 -3.77 117.98 119.10 1qhp s PHE 136 Ca 0.57 -0.36 0.02 0.00 -1.04 0.00 0.00 56.93 56.12 1qhp s PHE 136 Cb -0.56 0.17 0.01 0.00 -1.21 0.00 0.00 43.02 41.43 1qhp s PHE 136 CO 0.60 -0.73 -0.22 0.15 -1.34 0.00 0.00 175.22 173.68 1qhp s LYS 137 N -3.87 3.03 0.48 1.99 -0.14 -1.26 -1.88 119.74 118.09 1qhp s LYS 137 Ca 0.08 -0.85 0.14 0.00 -1.36 0.00 0.00 55.97 53.98 1qhp s LYS 137 Cb 0.02 -2.45 1.12 0.00 -1.68 0.00 0.00 37.83 34.84 1qhp s LYS 137 CO -0.07 -0.01 2.09 0.00 -0.76 0.00 0.00 175.35 176.60 1qhp h ALA 138 N 7.32 1.86 -0.17 5.17 0.00 -1.99 -1.81 119.26 129.64 1qhp h ALA 138 Ca -0.32 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1qhp h ALA 138 Cb 1.19 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1qhp h ALA 138 CO 0.56 0.11 0.00 0.27 0.00 0.00 0.00 179.25 180.19 1qhp n ASN 139 N -4.47 1.80 -3.34 0.00 6.94 -1.26 -4.78 115.26 110.14 1qhp n ASN 139 Ca -0.02 -1.72 -0.10 0.00 -0.02 0.00 0.00 54.58 52.72 1qhp n ASN 139 Cb 0.13 -0.11 -0.08 0.00 -2.36 0.00 0.00 39.78 37.36 1qhp n ASN 139 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1qhp s ASP 140 N -1.59 0.44 0.00 0.53 -1.08 -0.68 -5.01 116.67 109.28 1qhp s ASP 140 Ca 0.33 -0.05 0.23 0.00 -0.52 0.00 0.00 52.55 52.54 1qhp s ASP 140 Cb 0.18 1.04 1.00 0.00 -1.46 0.00 0.00 42.92 43.68 1qhp s ASP 140 CO 0.27 -0.32 1.74 -1.54 0.52 0.00 0.00 175.17 175.84 1qhp n SER 141 N 5.36 0.00 0.02 -0.34 3.41 -1.26 -2.26 113.62 118.55 1qhp n SER 141 Ca -0.02 0.45 0.13 0.00 -0.26 0.00 0.00 58.87 59.17 1qhp n SER 141 Cb 0.50 -0.48 0.45 0.00 -0.26 0.00 0.00 64.21 64.41 1qhp n SER 141 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1qhp n THR 142 N -1.48 0.11 -2.29 6.66 -2.24 -1.26 -4.04 114.28 109.74 1qhp n THR 142 Ca 0.06 -0.06 -0.42 0.00 -2.27 0.00 0.00 64.05 61.36 1qhp n THR 142 Cb 0.26 -0.26 -0.03 0.00 -2.10 0.00 0.00 70.33 68.20 1qhp n THR 142 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1qhp s PHE 143 N -3.03 2.99 0.00 4.78 5.36 -0.96 -4.77 117.98 122.36 1qhp s PHE 143 Ca 0.12 0.95 0.00 0.00 -0.96 0.00 0.00 56.93 57.04 1qhp s PHE 143 Cb 0.17 -3.59 0.00 0.00 -0.34 0.00 0.00 43.02 39.26 1qhp s PHE 143 CO 0.60 -2.09 0.00 0.00 -1.46 0.00 0.00 175.22 172.27 1qhp n ALA 144 N 5.16 0.00 -0.74 11.12 0.00 -1.26 -2.07 120.51 132.72 1qhp n ALA 144 Ca 0.12 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.64 1qhp n ALA 144 Cb 0.44 0.00 0.23 0.00 0.00 0.00 0.00 19.45 20.13 1qhp n ALA 144 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1qhp n GLU 145 N 14.00 2.98 -1.78 0.00 1.02 -1.26 -4.97 120.64 130.63 1qhp n GLU 145 Ca 0.00 -2.61 -0.18 0.00 -0.02 0.00 0.00 57.16 54.35 1qhp n GLU 145 Cb 0.00 -1.68 -0.05 0.00 -0.02 0.00 0.00 31.44 29.68 1qhp n GLU 145 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1qhp n GLY 146 N -0.13 1.04 1.56 0.62 0.00 -0.88 -1.75 105.19 105.65 1qhp n GLY 146 Ca 0.19 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1qhp n GLY 146 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qhp n GLY 147 N -0.88 0.61 3.59 -0.02 0.00 -1.25 -1.33 105.19 105.91 1qhp n GLY 147 Ca -0.19 -0.03 -0.48 0.00 0.00 0.00 0.00 46.02 45.32 1qhp n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qhp n ALA 148 N 0.34 -0.55 -2.99 4.61 0.00 -0.72 -4.41 120.51 116.80 1qhp n ALA 148 Ca 0.00 0.45 -0.29 0.00 0.00 0.00 0.00 53.44 53.60 1qhp n ALA 148 Cb 0.00 -2.05 -0.16 0.00 0.00 0.00 0.00 19.45 17.24 1qhp n ALA 148 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1qhp s LEU 149 N 0.60 1.99 0.21 0.00 2.96 0.17 -4.56 118.68 120.05 1qhp s LEU 149 Ca 0.71 -0.46 0.11 0.00 -0.22 0.00 0.00 54.13 54.28 1qhp s LEU 149 Cb -0.82 -1.21 -0.05 0.00 0.50 0.00 0.00 46.19 44.61 1qhp s LEU 149 CO 0.53 0.17 -0.23 -0.31 -1.32 0.00 0.00 176.35 175.19 1qhp s TYR 150 N 0.12 2.31 -0.54 5.38 1.51 0.60 -0.75 117.35 125.97 1qhp s TYR 150 Ca -0.09 -0.35 -0.00 0.00 -1.01 0.00 0.00 57.07 55.62 1qhp s TYR 150 Cb -0.14 -1.11 0.14 0.00 -0.11 0.00 0.00 41.96 40.73 1qhp s TYR 150 CO 0.05 0.54 0.32 1.21 -1.11 0.00 0.00 175.55 176.56 1qhp s ASN 151 N -2.84 4.96 -1.35 2.29 2.47 0.14 -4.11 114.94 116.50 1qhp s ASN 151 Ca 0.23 -2.70 -0.03 0.00 0.42 0.00 0.00 52.86 50.78 1qhp s ASN 151 Cb -0.07 -1.77 0.02 0.00 -1.45 0.00 0.00 41.25 37.97 1qhp s ASN 151 CO 0.11 -0.36 0.77 -3.20 -3.72 0.00 0.00 177.10 170.70 1qhp n ASN 152 N 3.63 -1.95 0.00 -4.21 5.15 -1.26 -1.95 115.26 114.67 1qhp n ASN 152 Ca 0.05 -0.80 0.00 0.00 -0.60 0.00 0.00 54.58 53.23 1qhp n ASN 152 Cb 0.37 -4.08 0.00 0.00 -0.53 0.00 0.00 39.78 35.54 1qhp n ASN 152 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1qhp n GLY 153 N -1.59 3.16 3.66 8.20 0.00 -1.26 -5.03 105.19 112.33 1qhp n GLY 153 Ca -0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 1qhp n GLY 153 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qhp s THR 154 N -2.12 4.92 0.25 2.61 2.01 -0.82 -5.01 115.64 117.48 1qhp s THR 154 Ca 0.00 1.47 -0.30 0.00 0.31 0.00 0.00 61.69 63.16 1qhp s THR 154 Cb 0.00 -4.07 -0.10 0.00 0.01 0.00 0.00 72.50 68.34 1qhp s THR 154 CO 0.00 0.04 1.51 -0.47 -0.69 0.00 0.00 174.62 175.02 1qhp s TYR 155 N 2.15 2.94 -0.20 4.92 5.04 -1.26 0.23 117.35 131.17 1qhp s TYR 155 Ca 0.34 0.87 -0.13 0.00 -2.44 0.00 0.00 57.07 55.71 1qhp s TYR 155 Cb -0.16 -3.92 -0.08 0.00 0.35 0.00 0.00 41.96 38.15 1qhp s TYR 155 CO 0.11 -3.11 -0.30 -1.33 -1.34 0.00 0.00 175.55 169.58 1qhp n MET 156 N 2.57 0.48 0.00 4.97 2.81 0.07 -4.85 117.12 123.16 1qhp n MET 156 Ca 0.08 0.20 0.00 0.00 -1.81 0.00 0.00 57.70 56.18 1qhp n MET 156 Cb 0.39 -1.32 0.00 0.00 -0.71 0.00 0.00 33.22 31.58 1qhp n MET 156 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1qhp n GLY 157 N 1.62 0.60 0.00 3.03 0.00 -1.11 -5.01 105.19 104.31 1qhp n GLY 157 Ca -0.32 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.67 1qhp n GLY 157 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1qhp n ASN 158 N 0.00 0.65 0.26 1.61 0.23 -1.26 -0.65 115.26 116.09 1qhp n ASN 158 Ca 0.00 -0.86 0.17 0.00 -0.53 0.00 0.00 54.58 53.36 1qhp n ASN 158 Cb 0.00 0.00 0.69 0.00 -2.08 0.00 0.00 39.78 38.39 1qhp n ASN 158 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 1qhp h TYR 159 N 0.86 0.00 0.00 -2.53 3.20 -1.44 -3.27 116.97 113.79 1qhp h TYR 159 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1qhp h TYR 159 Cb 0.00 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.27 1qhp h TYR 159 CO 0.00 0.00 -1.91 1.19 -1.64 0.00 0.00 178.16 175.80 1qhp n PHE 160 N -2.95 0.00 -1.65 -3.82 3.01 -1.26 -4.39 117.46 106.40 1qhp n PHE 160 Ca 0.01 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.32 1qhp n PHE 160 Cb 0.28 -0.46 0.12 0.00 -0.01 0.00 0.00 39.48 39.41 1qhp n PHE 160 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 1qhp n ASP 161 N -2.19 3.98 -0.70 4.37 5.68 -1.23 -4.72 116.55 121.74 1qhp n ASP 161 Ca -0.04 -3.79 0.13 0.00 -0.50 0.00 0.00 54.79 50.59 1qhp n ASP 161 Cb 0.53 -0.58 0.25 0.00 -1.14 0.00 0.00 41.12 40.19 1qhp n ASP 161 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1qhp n ASP 162 N -0.95 2.26 -0.24 -1.12 2.03 -1.25 -4.61 116.55 112.67 1qhp n ASP 162 Ca 0.40 -1.70 0.02 0.00 0.52 0.00 0.00 54.79 54.03 1qhp n ASP 162 Cb 0.93 0.06 0.10 0.00 -0.72 0.00 0.00 41.12 41.49 1qhp n ASP 162 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1qhp h ALA 163 N 4.43 0.57 -0.57 -1.67 0.00 -1.91 -0.79 119.26 119.32 1qhp h ALA 163 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1qhp h ALA 163 Cb 0.77 0.49 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1qhp h ALA 163 CO 0.00 -0.42 0.00 0.25 0.00 0.00 0.00 179.25 179.08 1qhp n THR 164 N -5.42 0.75 -0.05 0.00 -2.24 -1.26 -4.47 114.28 101.58 1qhp n THR 164 Ca 0.10 -0.84 -0.11 0.00 -2.27 0.00 0.00 64.05 60.94 1qhp n THR 164 Cb 0.40 0.62 -0.04 0.00 -2.10 0.00 0.00 70.33 69.20 1qhp n THR 164 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1qhp n LYS 165 N 1.45 0.24 -2.72 -0.78 5.02 -0.55 -5.04 118.16 115.77 1qhp n LYS 165 Ca 0.22 0.09 -0.11 0.00 -2.02 0.00 0.00 58.31 56.49 1qhp n LYS 165 Cb 0.58 -0.96 0.02 0.00 -0.02 0.00 0.00 35.03 34.65 1qhp n LYS 165 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1qhp n GLY 166 N 2.44 0.10 0.18 0.72 0.00 -0.41 -4.93 105.19 103.30 1qhp n GLY 166 Ca -0.21 -0.30 0.06 0.00 0.00 0.00 0.00 46.02 45.56 1qhp n GLY 166 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1qhp h TYR 167 N -0.84 0.00 -2.76 1.61 0.05 -1.93 -3.44 116.97 109.67 1qhp h TYR 167 Ca -0.27 0.00 -0.63 0.00 0.05 0.00 0.00 58.73 57.88 1qhp h TYR 167 Cb 1.18 0.00 -0.16 0.00 1.01 0.00 0.00 36.73 38.76 1qhp h TYR 167 CO 0.26 0.38 -0.78 -0.06 -1.05 0.00 0.00 178.16 176.90 1qhp s PHE 168 N -3.40 2.35 0.37 4.88 0.08 -1.26 -0.68 117.98 120.31 1qhp s PHE 168 Ca 0.02 -0.33 -0.24 0.00 0.12 0.00 0.00 56.93 56.50 1qhp s PHE 168 Cb 0.10 -1.10 -0.10 0.00 -0.57 0.00 0.00 43.02 41.34 1qhp s PHE 168 CO 0.69 0.59 0.95 -1.01 -0.10 0.00 0.00 175.22 176.35 1qhp s HIS 169 N -2.02 3.51 -0.44 0.36 3.76 0.29 -4.71 115.29 116.04 1qhp s HIS 169 Ca 0.25 1.71 0.09 0.00 -0.15 0.00 0.00 55.06 56.96 1qhp s HIS 169 Cb -0.07 -2.91 0.39 0.00 1.11 0.00 0.00 32.58 31.10 1qhp s HIS 169 CO 0.13 0.03 0.95 0.72 -0.85 0.00 0.00 174.74 175.71 1qhp n HIS 170 N 0.05 2.42 -0.12 1.40 -0.00 -1.26 -4.63 115.22 113.07 1qhp n HIS 170 Ca 0.04 -3.45 0.06 0.00 -0.00 0.00 0.00 57.72 54.37 1qhp n HIS 170 Cb 0.52 -0.33 0.15 0.00 -0.00 0.00 0.00 29.99 30.32 1qhp n HIS 170 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 1qhp n ASN 171 N -0.16 2.87 0.00 0.41 3.02 -1.26 -5.10 115.26 115.04 1qhp n ASN 171 Ca 0.27 -1.95 0.00 0.00 -0.03 0.00 0.00 54.58 52.87 1qhp n ASN 171 Cb 0.62 -0.22 0.00 0.00 -0.61 0.00 0.00 39.78 39.57 1qhp n ASN 171 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qhp n GLY 172 N 0.55 -0.27 3.82 7.41 0.00 -1.26 -4.86 105.19 110.58 1qhp n GLY 172 Ca 0.11 -1.84 -0.34 0.00 0.00 0.00 0.00 46.02 43.95 1qhp n GLY 172 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qhp s ASP 173 N -1.26 7.02 0.30 1.61 1.01 -1.26 -0.57 116.67 123.52 1qhp s ASP 173 Ca 0.00 1.58 -0.30 0.00 0.71 0.00 0.00 52.55 54.54 1qhp s ASP 173 Cb 0.00 -2.49 -0.12 0.00 1.01 0.00 0.00 42.92 41.33 1qhp s ASP 173 CO 0.00 -0.18 1.56 -0.38 0.21 0.00 0.00 175.17 176.38 1qhp n ILE 174 N -0.02 1.16 -0.02 0.77 5.41 -0.51 -4.63 119.36 121.51 1qhp n ILE 174 Ca 0.03 -0.29 -0.06 0.00 1.00 0.00 0.00 62.75 63.43 1qhp n ILE 174 Cb 0.52 -1.91 -0.02 0.00 -0.71 0.00 0.00 39.64 37.52 1qhp n ILE 174 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1qhp n SER 175 N 1.93 1.06 -4.32 4.38 2.88 -1.26 -4.91 113.62 113.38 1qhp n SER 175 Ca 0.08 0.16 -0.44 0.00 -1.33 0.00 0.00 58.87 57.34 1qhp n SER 175 Cb 0.36 -0.39 -0.07 0.00 -0.75 0.00 0.00 64.21 63.37 1qhp n SER 175 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 1qhp s ASN 176 N -5.92 6.06 0.57 -3.46 3.84 -1.26 -4.94 114.94 109.83 1qhp s ASN 176 Ca -0.12 -1.62 0.37 0.00 0.21 0.00 0.00 52.86 51.70 1qhp s ASN 176 Cb 0.03 -2.15 1.79 0.00 -0.55 0.00 0.00 41.25 40.36 1qhp s ASN 176 CO 0.16 -0.74 2.11 -0.50 -2.79 0.00 0.00 177.10 175.34 1qhp h TRP 177 N 8.74 0.00 -0.02 0.43 4.06 -1.97 -2.10 115.95 125.10 1qhp h TRP 177 Ca -0.28 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.67 1qhp h TRP 177 Cb 1.10 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.26 1qhp h TRP 177 CO 0.68 0.00 -0.02 -0.25 -3.56 0.00 0.00 178.44 175.28 1qhp n ASP 178 N -2.98 1.63 -4.63 -3.49 8.00 -1.26 -4.65 116.55 109.17 1qhp n ASP 178 Ca -0.01 -1.51 -0.41 0.00 0.71 0.00 0.00 54.79 53.57 1qhp n ASP 178 Cb 0.18 0.01 -0.05 0.00 -0.02 0.00 0.00 41.12 41.24 1qhp n ASP 178 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1qhp s ASP 179 N -2.04 6.68 0.22 -2.24 2.15 -0.79 -4.95 116.67 115.71 1qhp s ASP 179 Ca 0.36 0.81 -0.06 0.00 0.43 0.00 0.00 52.55 54.08 1qhp s ASP 179 Cb 0.21 -2.39 0.20 0.00 -0.30 0.00 0.00 42.92 40.64 1qhp s ASP 179 CO 0.35 -0.47 1.77 0.03 -0.17 0.00 0.00 175.17 176.67 1qhp h ARG 180 N 7.87 1.10 -0.09 4.34 2.47 -1.87 0.19 114.38 128.39 1qhp h ARG 180 Ca -0.25 -0.23 -0.00 0.00 -1.26 0.00 0.00 59.98 58.24 1qhp h ARG 180 Cb 1.11 -0.16 -0.00 0.00 -1.65 0.00 0.00 29.97 29.26 1qhp h ARG 180 CO 0.83 0.94 0.04 -0.92 0.56 0.00 0.00 179.97 181.42 1qhp h TYR 181 N 1.06 0.13 -0.58 3.04 3.20 -1.95 -2.69 116.97 119.17 1qhp h TYR 181 Ca 0.23 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.09 1qhp h TYR 181 Cb 0.29 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.50 1qhp h TYR 181 CO 0.02 0.22 0.36 0.93 -1.64 0.00 0.00 178.16 178.06 1qhp h GLU 182 N -0.00 0.78 -0.13 1.82 5.08 -1.78 0.49 114.58 120.84 1qhp h GLU 182 Ca 0.03 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1qhp h GLU 182 Cb 0.14 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1qhp h GLU 182 CO -0.00 0.55 0.09 0.00 -1.00 0.00 0.00 179.01 178.65 1qhp h ALA 183 N 1.19 1.99 0.01 3.43 0.00 -0.86 -0.74 119.26 124.27 1qhp h ALA 183 Ca 0.21 -0.01 -0.38 0.00 0.00 0.00 0.00 54.91 54.73 1qhp h ALA 183 Cb -0.04 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.65 1qhp h ALA 183 CO -0.04 -0.01 -2.41 1.04 0.00 0.00 0.00 179.25 177.83 1qhp n GLN 184 N -4.51 0.67 -0.00 0.00 6.02 -1.03 -4.39 117.38 114.13 1qhp n GLN 184 Ca -0.01 0.11 0.09 0.00 -0.01 0.00 0.00 57.00 57.19 1qhp n GLN 184 Cb 0.13 -1.54 -0.12 0.00 1.02 0.00 0.00 30.24 29.74 1qhp n GLN 184 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 1qhp n TRP 185 N -3.12 0.00 -3.42 1.08 8.01 0.14 -4.63 117.44 115.50 1qhp n TRP 185 Ca -0.41 0.00 -0.19 0.00 -1.31 0.00 0.00 57.50 55.59 1qhp n TRP 185 Cb 1.04 -0.06 -0.01 0.00 -2.01 0.00 0.00 31.31 30.27 1qhp n TRP 185 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.69 176.83 1qhp s LYS 186 N -2.94 2.77 0.21 -0.99 1.02 -0.29 -4.40 119.74 115.12 1qhp s LYS 186 Ca 0.06 -1.30 -0.29 0.00 0.02 0.00 0.00 55.97 54.46 1qhp s LYS 186 Cb 0.15 -2.60 -0.08 0.00 -0.52 0.00 0.00 37.83 34.77 1qhp s LYS 186 CO 0.82 -0.11 0.91 -0.80 -0.92 0.00 0.00 175.35 175.24 1qhp s ASN 187 N -4.18 7.57 0.21 2.83 0.01 0.27 -4.62 114.94 117.03 1qhp s ASN 187 Ca 0.48 1.86 -0.30 0.00 -0.71 0.00 0.00 52.86 54.19 1qhp s ASN 187 Cb -0.07 -2.58 -0.09 0.00 0.41 0.00 0.00 41.25 38.91 1qhp s ASN 187 CO 0.30 0.14 1.40 0.12 -1.51 0.00 0.00 177.10 177.55 1qhp s PHE 188 N -1.02 3.14 0.25 2.20 2.19 -1.26 -1.43 117.98 122.06 1qhp s PHE 188 Ca 0.41 1.06 0.10 0.00 0.33 0.00 0.00 56.93 58.82 1qhp s PHE 188 Cb -0.25 -3.73 -0.04 0.00 -1.31 0.00 0.00 43.02 37.68 1qhp s PHE 188 CO 0.30 -2.41 -0.06 0.95 1.83 0.00 0.00 175.22 175.84 1qhp s THR 189 N 0.26 3.19 -0.04 0.12 -4.23 -1.26 -0.75 115.64 112.94 1qhp s THR 189 Ca 0.60 -1.96 0.06 0.00 -1.18 0.00 0.00 61.69 59.21 1qhp s THR 189 Cb -0.39 -2.68 -0.01 0.00 1.34 0.00 0.00 72.50 70.76 1qhp s THR 189 CO 0.39 -0.32 -0.22 -0.62 -0.54 0.00 0.00 174.62 173.30 1qhp s ASP 190 N -3.46 2.71 0.27 3.99 -1.08 -0.23 -4.96 116.67 113.91 1qhp s ASP 190 Ca 0.30 -0.43 0.20 0.00 -0.52 0.00 0.00 52.55 52.10 1qhp s ASP 190 Cb -0.07 -0.53 1.02 0.00 -1.46 0.00 0.00 42.92 41.88 1qhp s ASP 190 CO 0.18 0.24 1.62 -2.65 0.52 0.00 0.00 175.17 175.08 1qhp n PRO 191 N 2.78 0.14 0.00 4.34 -0.02 -1.26 -1.34 135.00 139.64 1qhp n PRO 191 Ca -0.17 0.56 0.10 0.00 -2.02 0.00 0.00 63.50 61.97 1qhp n PRO 191 Cb 0.52 -1.89 0.49 0.00 -0.02 0.00 0.00 33.50 32.61 1qhp n PRO 191 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qhp n ALA 192 N -1.75 2.04 0.00 3.55 0.00 -1.26 -4.85 120.51 118.24 1qhp n ALA 192 Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1qhp n ALA 192 Cb 0.09 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.22 1qhp n ALA 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qhp n GLY 193 N 0.40 1.76 3.53 0.00 0.00 -0.45 -5.05 105.19 105.37 1qhp n GLY 193 Ca 0.09 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.01 1qhp n GLY 193 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1qhp s PHE 194 N -2.00 0.60 0.33 1.61 -0.12 -1.19 -4.98 117.98 112.23 1qhp s PHE 194 Ca 0.00 -0.92 0.09 0.00 -0.05 0.00 0.00 56.93 56.05 1qhp s PHE 194 Cb 0.00 0.06 -0.05 0.00 -0.63 0.00 0.00 43.02 42.40 1qhp s PHE 194 CO 0.00 -1.00 0.02 -1.12 -0.05 0.00 0.00 175.22 173.07 1qhp s SER 195 N -3.08 4.25 -0.18 1.98 0.01 -0.79 -1.06 113.70 114.83 1qhp s SER 195 Ca 0.26 -0.93 -0.06 0.00 1.31 0.00 0.00 55.95 56.53 1qhp s SER 195 Cb 0.00 -0.58 -0.03 0.00 0.21 0.00 0.00 66.02 65.62 1qhp s SER 195 CO 0.12 -0.21 0.02 -0.76 0.41 0.00 0.00 173.24 172.81 1qhp s LEU 196 N -3.72 3.51 -0.07 2.44 1.43 0.07 -0.28 118.68 122.05 1qhp s LEU 196 Ca 0.35 -0.05 -0.29 0.00 -1.03 0.00 0.00 54.13 53.11 1qhp s LEU 196 Cb -0.01 -1.87 -0.07 0.00 0.03 0.00 0.00 46.19 44.27 1qhp s LEU 196 CO 0.20 0.15 1.94 0.00 0.23 0.00 0.00 176.35 178.87 1qhp s ALA 197 N 0.48 3.33 -0.46 4.21 0.00 -0.96 -4.17 121.76 124.19 1qhp s ALA 197 Ca -0.00 1.02 -0.26 0.00 0.00 0.00 0.00 51.96 52.72 1qhp s ALA 197 Cb -0.13 -3.89 0.03 0.00 0.00 0.00 0.00 23.12 19.12 1qhp s ALA 197 CO 0.02 -1.91 0.98 0.34 0.00 0.00 0.00 175.76 175.19 1qhp s ASP 198 N 5.22 6.53 0.51 0.00 2.15 -1.26 -1.41 116.67 128.41 1qhp s ASP 198 Ca 0.87 0.21 -0.22 0.00 0.43 0.00 0.00 52.55 53.84 1qhp s ASP 198 Cb -0.37 -2.48 -0.06 0.00 -0.30 0.00 0.00 42.92 39.72 1qhp s ASP 198 CO 0.37 -1.10 1.24 -0.76 -0.17 0.00 0.00 175.17 174.75 1qhp s LEU 199 N 3.93 3.91 -0.58 -1.34 1.43 -0.71 -0.55 118.68 124.77 1qhp s LEU 199 Ca 0.40 2.49 -0.18 0.00 -1.03 0.00 0.00 54.13 55.80 1qhp s LEU 199 Cb -0.09 -4.29 0.11 0.00 0.03 0.00 0.00 46.19 41.94 1qhp s LEU 199 CO 0.28 -1.23 0.66 -0.55 0.23 0.00 0.00 176.35 175.73 1qhp s SER 200 N -1.23 6.18 0.00 2.29 0.15 0.14 -4.58 113.70 116.65 1qhp s SER 200 Ca 0.68 -1.51 0.20 0.00 0.70 0.00 0.00 55.95 56.03 1qhp s SER 200 Cb -0.33 -2.28 1.03 0.00 -1.71 0.00 0.00 66.02 62.73 1qhp s SER 200 CO 0.39 -1.06 1.64 0.00 1.20 0.00 0.00 173.24 175.41 1qhp n GLN 201 N 6.10 0.30 0.00 5.44 3.00 -1.26 -1.82 117.38 129.14 1qhp n GLN 201 Ca -0.10 0.09 0.13 0.00 -0.01 0.00 0.00 57.00 57.11 1qhp n GLN 201 Cb 0.42 -1.50 0.40 0.00 0.00 0.00 0.00 30.24 29.56 1qhp n GLN 201 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1qhp n GLU 202 N -1.27 0.30 -3.08 -1.09 4.71 -1.26 -4.40 120.64 114.55 1qhp n GLU 202 Ca 0.10 -0.15 -0.40 0.00 -0.01 0.00 0.00 57.16 56.71 1qhp n GLU 202 Cb 0.16 -1.50 -0.05 0.00 -1.01 0.00 0.00 31.44 29.04 1qhp n GLU 202 CO 0.00 0.00 0.00 1.21 0.09 0.00 0.00 177.13 178.43 1qhp s ASN 203 N -2.80 6.93 0.22 1.62 3.84 -0.75 -4.74 114.94 119.26 1qhp s ASN 203 Ca 0.18 1.12 -0.08 0.00 0.21 0.00 0.00 52.86 54.29 1qhp s ASN 203 Cb 0.19 -2.39 0.17 0.00 -0.55 0.00 0.00 41.25 38.66 1qhp s ASN 203 CO 0.59 -0.12 1.80 1.23 -2.79 0.00 0.00 177.10 177.81 1qhp h GLY 204 N 6.92 1.29 0.97 1.21 0.00 -1.87 0.05 103.07 111.64 1qhp h GLY 204 Ca -0.40 -0.67 -0.00 0.00 0.00 0.00 0.00 47.33 46.26 1qhp h GLY 204 CO 0.76 0.64 0.12 -0.84 0.00 0.00 0.00 176.54 177.22 1qhp h THR 205 N 1.18 1.08 -0.49 4.70 2.02 -1.94 -1.44 112.91 118.03 1qhp h THR 205 Ca 0.28 -0.20 -0.11 0.00 0.77 0.00 0.00 66.41 67.15 1qhp h THR 205 Cb 0.17 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 1qhp h THR 205 CO -0.03 0.08 -0.13 0.40 0.37 0.00 0.00 175.52 176.20 1qhp h ILE 206 N 0.24 1.27 -0.37 3.11 1.08 -1.75 0.07 117.51 121.16 1qhp h ILE 206 Ca 0.07 -1.28 -0.00 0.00 -0.39 0.00 0.00 64.86 63.26 1qhp h ILE 206 Cb 0.02 1.08 -0.02 0.00 -3.07 0.00 0.00 36.82 34.83 1qhp h ILE 206 CO -0.01 0.44 0.22 0.00 -0.69 0.00 0.00 178.15 178.11 1qhp h ALA 207 N 0.89 0.48 -0.48 1.87 0.00 -0.93 -0.23 119.26 120.85 1qhp h ALA 207 Ca 0.12 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 1qhp h ALA 207 Cb 0.70 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1qhp h ALA 207 CO 0.05 -0.02 -0.15 0.37 0.00 0.00 0.00 179.25 179.51 1qhp h GLN 208 N 0.48 0.92 -0.21 0.00 5.75 -1.14 -1.49 115.11 119.43 1qhp h GLN 208 Ca 0.13 -0.35 0.01 0.00 -0.15 0.00 0.00 58.65 58.30 1qhp h GLN 208 Cb 0.02 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.50 1qhp h GLN 208 CO -0.02 1.00 0.10 -0.92 -2.65 0.00 0.00 178.83 176.33 1qhp h TYR 209 N 0.81 0.18 -0.54 3.99 3.20 -0.73 0.14 116.97 124.03 1qhp h TYR 209 Ca 0.12 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.92 1qhp h TYR 209 Cb 0.69 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.89 1qhp h TYR 209 CO 0.04 0.10 -0.00 -0.07 -1.64 0.00 0.00 178.16 176.59 1qhp h LEU 210 N 0.21 0.89 0.08 2.82 3.38 -0.94 -0.55 115.31 121.20 1qhp h LEU 210 Ca 0.08 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 1qhp h LEU 210 Cb 0.03 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.54 1qhp h LEU 210 CO -0.06 0.95 -0.04 0.74 0.09 0.00 0.00 178.44 180.12 1qhp h THR 211 N 0.85 0.94 -0.99 0.22 2.02 -1.00 -1.14 112.91 113.81 1qhp h THR 211 Ca 0.16 -0.09 0.07 0.00 0.77 0.00 0.00 66.41 67.32 1qhp h THR 211 Cb 0.51 1.00 -0.07 0.00 -1.74 0.00 0.00 68.15 67.85 1qhp h THR 211 CO 0.03 0.02 0.63 0.44 0.37 0.00 0.00 175.52 177.01 1qhp h ASP 212 N -0.15 1.00 -0.54 4.18 3.32 -0.45 -0.16 116.42 123.61 1qhp h ASP 212 Ca -0.01 0.01 -0.11 0.00 0.02 0.00 0.00 57.03 56.94 1qhp h ASP 212 Cb 0.12 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 1qhp h ASP 212 CO 0.02 0.63 -0.10 0.00 -1.72 0.00 0.00 179.24 178.07 1qhp h ALA 213 N 1.46 0.74 -0.39 3.45 0.00 -0.84 -0.70 119.26 122.97 1qhp h ALA 213 Ca 0.43 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 1qhp h ALA 213 Cb 0.20 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1qhp h ALA 213 CO -0.18 0.65 -0.02 0.00 0.00 0.00 0.00 179.25 179.69 1qhp h ALA 214 N 0.93 0.53 -0.65 0.00 0.00 -0.61 -2.72 119.26 116.75 1qhp h ALA 214 Ca 0.14 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1qhp h ALA 214 Cb 0.67 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1qhp h ALA 214 CO 0.05 0.33 0.37 0.28 0.00 0.00 0.00 179.25 180.28 1qhp h VAL 215 N 0.53 1.19 -0.87 0.00 2.07 -0.97 -2.22 116.25 115.99 1qhp h VAL 215 Ca 0.11 -0.46 -0.02 0.00 0.82 0.00 0.00 66.70 67.15 1qhp h VAL 215 Cb 0.51 0.30 -0.04 0.00 -1.52 0.00 0.00 31.29 30.54 1qhp h VAL 215 CO 0.02 0.21 0.46 -0.61 0.02 0.00 0.00 177.57 177.67 1qhp h GLN 216 N 0.90 1.21 -0.57 1.57 4.15 -0.94 0.12 115.11 121.55 1qhp h GLN 216 Ca 0.23 -0.15 -0.01 0.00 0.77 0.00 0.00 58.65 59.49 1qhp h GLN 216 Cb 0.00 -0.23 -0.03 0.00 0.21 0.00 0.00 27.48 27.43 1qhp h GLN 216 CO -0.04 0.90 0.30 -0.07 -1.93 0.00 0.00 178.83 177.99 1qhp h LEU 217 N 1.21 0.73 -1.02 -2.39 3.38 -1.10 -1.47 115.31 114.65 1qhp h LEU 217 Ca 0.30 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 58.09 1qhp h LEU 217 Cb 0.05 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1qhp h LEU 217 CO -0.05 0.63 -0.17 0.58 0.09 0.00 0.00 178.44 179.52 1qhp h VAL 218 N 0.77 1.24 0.00 1.22 2.07 -1.09 -1.76 116.25 118.71 1qhp h VAL 218 Ca 0.20 -1.11 -0.06 0.00 0.82 0.00 0.00 66.70 66.55 1qhp h VAL 218 Cb 0.07 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1qhp h VAL 218 CO -0.03 0.36 -0.27 0.00 0.02 0.00 0.00 177.57 177.65 1qhp h ALA 219 N 1.36 1.41 -0.27 1.67 0.00 -0.16 -0.90 119.26 122.37 1qhp h ALA 219 Ca 0.08 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1qhp h ALA 219 Cb 0.56 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1qhp h ALA 219 CO 0.04 0.34 0.00 0.72 0.00 0.00 0.00 179.25 180.34 1qhp n HIS 220 N -4.01 0.40 0.00 0.00 -0.00 -0.61 -4.91 115.22 106.10 1qhp n HIS 220 Ca -0.02 -0.19 0.00 0.00 -0.00 0.00 0.00 57.72 57.51 1qhp n HIS 220 Cb 0.34 -0.02 0.00 0.00 -0.00 0.00 0.00 29.99 30.30 1qhp n HIS 220 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1qhp n GLY 221 N 0.88 0.87 3.68 -1.41 0.00 -0.34 -4.73 105.19 104.14 1qhp n GLY 221 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 1qhp n GLY 221 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qhp n ALA 222 N -1.21 1.08 0.92 4.61 0.00 -0.69 -4.85 120.51 120.36 1qhp n ALA 222 Ca 0.00 0.37 0.09 0.00 0.00 0.00 0.00 53.44 53.90 1qhp n ALA 222 Cb 0.00 -2.23 0.28 0.00 0.00 0.00 0.00 19.45 17.51 1qhp n ALA 222 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1qhp n ASP 223 N 0.99 2.08 0.00 0.00 8.00 0.81 -4.58 116.55 123.84 1qhp n ASP 223 Ca 0.06 -1.85 0.00 0.00 0.71 0.00 0.00 54.79 53.71 1qhp n ASP 223 Cb 0.35 -0.19 0.00 0.00 -0.02 0.00 0.00 41.12 41.26 1qhp n ASP 223 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qhp n GLY 224 N 1.18 -1.62 3.04 0.44 0.00 -1.24 -1.67 105.19 105.32 1qhp n GLY 224 Ca 0.16 -1.45 -0.12 0.00 0.00 0.00 0.00 46.02 44.61 1qhp n GLY 224 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qhp s LEU 225 N 0.00 2.26 -0.38 0.99 1.43 -0.77 -1.61 118.68 120.60 1qhp s LEU 225 Ca 0.00 -0.55 -0.10 0.00 -1.03 0.00 0.00 54.13 52.46 1qhp s LEU 225 Cb 0.00 -0.07 0.04 0.00 0.03 0.00 0.00 46.19 46.19 1qhp s LEU 225 CO 0.00 -0.25 0.19 -0.60 0.23 0.00 0.00 176.35 175.93 1qhp s ARG 226 N -1.61 2.72 -0.30 1.70 3.00 -0.25 -2.13 118.95 122.10 1qhp s ARG 226 Ca -0.11 -1.19 -0.25 0.00 -1.00 0.00 0.00 55.73 53.18 1qhp s ARG 226 Cb -0.10 -3.68 0.01 0.00 0.00 0.00 0.00 34.95 31.18 1qhp s ARG 226 CO -0.00 -0.75 0.88 0.42 0.00 0.00 0.00 175.30 175.85 1qhp s ILE 227 N 1.49 4.71 0.43 4.11 1.01 0.54 -0.83 121.20 132.66 1qhp s ILE 227 Ca 0.01 1.40 -0.24 0.00 0.00 0.00 0.00 60.65 61.82 1qhp s ILE 227 Cb -0.20 -4.22 -0.08 0.00 0.01 0.00 0.00 42.46 37.96 1qhp s ILE 227 CO 0.05 -0.30 1.13 -0.62 0.00 0.00 0.00 174.94 175.20 1qhp s ASP 228 N 1.59 6.44 -1.40 3.58 2.15 0.54 -0.67 116.67 128.89 1qhp s ASP 228 Ca 0.37 2.22 -0.06 0.00 0.43 0.00 0.00 52.55 55.51 1qhp s ASP 228 Cb -0.14 -2.60 0.00 0.00 -0.30 0.00 0.00 42.92 39.89 1qhp s ASP 228 CO 0.13 -0.73 0.36 0.00 -0.17 0.00 0.00 175.17 174.76 1qhp n ALA 229 N -0.24 -2.13 0.32 3.66 0.00 -1.22 -4.59 120.51 116.31 1qhp n ALA 229 Ca 0.06 -0.34 0.14 0.00 0.00 0.00 0.00 53.44 53.30 1qhp n ALA 229 Cb 0.48 -1.67 0.61 0.00 0.00 0.00 0.00 19.45 18.87 1qhp n ALA 229 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1qhp h VAL 230 N -1.91 0.00 0.00 0.00 -1.51 -1.56 -0.81 116.25 110.46 1qhp h VAL 230 Ca -0.65 -0.23 0.00 0.00 -1.23 0.00 0.00 66.70 64.59 1qhp h VAL 230 Cb 1.38 0.99 0.00 0.00 -2.13 0.00 0.00 31.29 31.53 1qhp h VAL 230 CO 0.62 0.00 -0.01 2.29 -1.23 0.00 0.00 177.57 179.24 1qhp n LYS 231 N -2.49 0.09 0.00 5.19 2.85 -1.26 -3.63 118.16 118.92 1qhp n LYS 231 Ca 0.01 0.07 0.12 0.00 -1.05 0.00 0.00 58.31 57.46 1qhp n LYS 231 Cb 0.20 -1.60 0.12 0.00 -0.65 0.00 0.00 35.03 33.10 1qhp n LYS 231 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1qhp n HIS 232 N -1.76 0.00 -4.13 5.58 8.25 -0.31 -4.42 115.22 118.44 1qhp n HIS 232 Ca 0.06 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.41 1qhp n HIS 232 Cb 0.37 -0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.37 1qhp n HIS 232 CO 0.00 0.00 0.00 -0.59 0.64 0.00 0.00 176.34 176.39 1qhp s PHE 233 N -2.11 0.82 0.41 4.41 -0.71 -1.24 -4.16 117.98 115.40 1qhp s PHE 233 Ca 0.27 -0.74 -0.25 0.00 -1.04 0.00 0.00 56.93 55.17 1qhp s PHE 233 Cb 0.20 -0.48 -0.11 0.00 -1.21 0.00 0.00 43.02 41.42 1qhp s PHE 233 CO 0.36 -0.12 1.02 0.27 -1.34 0.00 0.00 175.22 175.42 1qhp n ASN 234 N 0.57 1.33 0.07 1.98 0.23 -1.26 -4.89 115.26 113.28 1qhp n ASN 234 Ca -0.16 1.05 0.13 0.00 -0.53 0.00 0.00 54.58 55.06 1qhp n ASN 234 Cb 0.58 -1.36 0.48 0.00 -2.08 0.00 0.00 39.78 37.40 1qhp n ASN 234 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1qhp n SER 235 N 0.55 0.46 -0.17 0.53 3.41 -1.26 -2.99 113.62 114.14 1qhp n SER 235 Ca 0.09 0.56 -0.09 0.00 -0.26 0.00 0.00 58.87 59.18 1qhp n SER 235 Cb 0.39 -0.68 0.01 0.00 -0.26 0.00 0.00 64.21 63.67 1qhp n SER 235 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1qhp h GLY 236 N 4.12 0.83 1.33 5.00 0.00 -1.87 -2.43 103.07 110.06 1qhp h GLY 236 Ca 0.00 -0.49 -0.08 0.00 0.00 0.00 0.00 47.33 46.76 1qhp h GLY 236 CO 0.00 0.45 -0.04 -2.75 0.00 0.00 0.00 176.54 174.20 1qhp h PHE 237 N 0.67 0.87 -0.12 5.60 3.57 -1.84 -0.38 116.94 125.32 1qhp h PHE 237 Ca 0.16 -0.14 0.03 0.00 3.53 0.00 0.00 57.97 61.55 1qhp h PHE 237 Cb 0.26 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 38.74 1qhp h PHE 237 CO 0.01 0.82 -0.07 0.77 -2.23 0.00 0.00 178.31 177.62 1qhp h SER 238 N 0.74 -0.21 -0.47 0.41 0.02 -1.49 0.91 113.55 113.46 1qhp h SER 238 Ca 0.14 0.05 -0.09 0.00 -0.84 0.00 0.00 61.79 61.04 1qhp h SER 238 Cb 0.51 0.12 -0.02 0.00 0.14 0.00 0.00 62.40 63.15 1qhp h SER 238 CO 0.03 -0.09 -0.05 0.50 -1.14 0.00 0.00 176.83 176.07 1qhp h LYS 239 N -0.06 0.92 -0.25 3.45 3.64 -1.07 -1.49 116.57 121.71 1qhp h LYS 239 Ca 0.07 -0.29 -0.17 0.00 -1.27 0.00 0.00 60.65 58.99 1qhp h LYS 239 Cb 0.16 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1qhp h LYS 239 CO -0.16 0.94 -0.52 1.03 -2.27 0.00 0.00 179.45 178.47 1qhp h SER 240 N 0.83 0.79 -0.37 4.20 0.87 -0.92 -1.51 113.55 117.44 1qhp h SER 240 Ca 0.15 -0.41 -0.04 0.00 -1.23 0.00 0.00 61.79 60.26 1qhp h SER 240 Cb 0.57 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.29 1qhp h SER 240 CO 0.03 1.16 0.10 0.25 -0.53 0.00 0.00 176.83 177.84 1qhp h LEU 241 N 0.56 0.56 -0.79 2.23 5.85 -0.76 -2.29 115.31 120.68 1qhp h LEU 241 Ca 0.02 -0.23 0.03 0.00 0.84 0.00 0.00 57.88 58.54 1qhp h LEU 241 Cb 1.09 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.93 1qhp h LEU 241 CO 0.11 0.64 0.50 0.00 -0.34 0.00 0.00 178.44 179.35 1qhp h ALA 242 N 0.94 1.04 -0.17 1.25 0.00 -1.08 -1.47 119.26 119.76 1qhp h ALA 242 Ca 0.12 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.05 1qhp h ALA 242 Cb 0.30 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 1qhp h ALA 242 CO 0.00 0.30 -0.28 0.22 0.00 0.00 0.00 179.25 179.49 1qhp h ASP 243 N 0.97 -0.88 -0.88 0.00 3.58 -0.95 -0.34 116.42 117.90 1qhp h ASP 243 Ca 0.32 0.14 0.03 0.00 0.42 0.00 0.00 57.03 57.94 1qhp h ASP 243 Cb 0.03 0.39 -0.05 0.00 1.72 0.00 0.00 39.33 41.42 1qhp h ASP 243 CO -0.12 -0.32 0.58 0.11 -2.88 0.00 0.00 179.24 176.61 1qhp h LYS 244 N -0.33 1.09 -0.21 0.28 1.79 -0.84 -2.10 116.57 116.24 1qhp h LYS 244 Ca 0.11 -0.07 -0.17 0.00 -2.18 0.00 0.00 60.65 58.34 1qhp h LYS 244 Cb 0.50 -0.24 -0.00 0.00 -1.58 0.00 0.00 32.23 30.91 1qhp h LYS 244 CO -0.36 0.72 -0.57 -0.07 -1.08 0.00 0.00 179.45 178.09 1qhp h LEU 245 N 1.12 0.75 -1.07 2.94 3.38 -0.58 -2.93 115.31 118.92 1qhp h LEU 245 Ca 0.35 -0.41 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1qhp h LEU 245 Cb -0.00 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 1qhp h LEU 245 CO -0.10 1.16 -0.12 1.88 0.09 0.00 0.00 178.44 181.35 1qhp h TYR 246 N 0.51 0.00 -0.10 1.13 0.05 -0.80 -2.04 116.97 115.72 1qhp h TYR 246 Ca 0.00 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.70 1qhp h TYR 246 Cb 1.14 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.87 1qhp h TYR 246 CO 0.06 0.12 -0.30 1.96 -1.05 0.00 0.00 178.16 178.94 1qhp h GLN 247 N 0.00 0.19 0.06 4.88 4.20 -1.21 -3.21 115.11 120.02 1qhp h GLN 247 Ca -0.00 -0.07 -0.21 0.00 0.06 0.00 0.00 58.65 58.43 1qhp h GLN 247 Cb 0.71 -0.01 0.02 0.00 0.30 0.00 0.00 27.48 28.50 1qhp h GLN 247 CO 0.02 0.48 -0.86 -0.22 -0.67 0.00 0.00 178.83 177.57 1qhp h LYS 248 N 0.17 0.48 -1.86 1.46 3.64 -1.25 -3.47 116.57 115.73 1qhp h LYS 248 Ca 0.02 -0.60 0.09 0.00 -1.27 0.00 0.00 60.65 58.90 1qhp h LYS 248 Cb 0.63 0.19 -0.20 0.00 -0.41 0.00 0.00 32.23 32.44 1qhp h LYS 248 CO 0.05 1.23 0.52 0.21 -2.27 0.00 0.00 179.45 179.19 1qhp s LYS 249 N -3.01 0.69 -1.49 1.90 2.20 -0.87 -5.05 119.74 114.12 1qhp s LYS 249 Ca -0.12 -0.03 -0.12 0.00 -0.36 0.00 0.00 55.97 55.33 1qhp s LYS 249 Cb 0.04 0.32 -0.02 0.00 -1.51 0.00 0.00 37.83 36.66 1qhp s LYS 249 CO 0.86 -0.26 2.52 -0.40 -0.36 0.00 0.00 175.35 177.72 1qhp n ASP 250 N 0.33 5.88 -4.53 1.43 5.75 -1.26 -4.08 116.55 120.06 1qhp n ASP 250 Ca -0.10 -2.71 -0.27 0.00 -0.01 0.00 0.00 54.79 51.71 1qhp n ASP 250 Cb 0.59 -1.58 0.13 0.00 -1.03 0.00 0.00 41.12 39.23 1qhp n ASP 250 CO 0.00 0.00 0.00 0.27 -0.11 0.00 0.00 177.20 177.36 1qhp s ILE 251 N 2.84 2.12 -0.14 2.12 -5.25 -1.26 -1.91 121.20 119.72 1qhp s ILE 251 Ca 0.57 -0.27 -0.05 0.00 -0.99 0.00 0.00 60.65 59.91 1qhp s ILE 251 Cb 0.16 -2.85 -0.03 0.00 2.95 0.00 0.00 42.46 42.68 1qhp s ILE 251 CO -0.07 0.00 0.02 0.12 -1.79 0.00 0.00 174.94 173.22 1qhp s PHE 252 N -3.47 3.17 -0.05 1.37 5.36 -0.67 -4.65 117.98 119.04 1qhp s PHE 252 Ca 0.68 0.01 0.05 0.00 -0.96 0.00 0.00 56.93 56.71 1qhp s PHE 252 Cb -0.06 -1.95 -0.01 0.00 -0.34 0.00 0.00 43.02 40.66 1qhp s PHE 252 CO 0.48 0.21 -0.21 -0.51 -1.46 0.00 0.00 175.22 173.72 1qhp s LEU 253 N -0.05 2.00 -0.01 6.12 1.43 -1.26 -1.85 118.68 125.06 1qhp s LEU 253 Ca 0.04 -0.44 0.02 0.00 -1.03 0.00 0.00 54.13 52.72 1qhp s LEU 253 Cb -0.13 -1.19 -0.00 0.00 0.03 0.00 0.00 46.19 44.90 1qhp s LEU 253 CO 0.02 0.20 -0.08 0.54 0.23 0.00 0.00 176.35 177.26 1qhp s VAL 254 N -0.06 0.63 0.01 -1.59 0.11 -0.90 -1.65 120.40 116.95 1qhp s VAL 254 Ca -0.04 -0.33 0.04 0.00 -2.93 0.00 0.00 61.98 58.72 1qhp s VAL 254 Cb -0.13 -0.53 -0.03 0.00 -1.53 0.00 0.00 36.38 34.16 1qhp s VAL 254 CO 0.03 0.18 -0.10 -0.83 -3.33 0.00 0.00 175.10 171.06 1qhp s GLY 255 N -0.12 1.71 -0.65 6.54 0.00 0.13 -0.34 107.32 114.58 1qhp s GLY 255 Ca 0.02 -1.07 -0.22 0.00 0.00 0.00 0.00 44.72 43.46 1qhp s GLY 255 CO -0.00 -0.94 0.92 1.85 0.00 0.00 0.00 173.10 174.93 1qhp s GLU 256 N -1.43 3.11 -0.62 2.90 2.12 0.15 -2.10 118.70 122.83 1qhp s GLU 256 Ca 0.17 -0.95 -0.16 0.00 0.36 0.00 0.00 54.97 54.39 1qhp s GLU 256 Cb -0.11 -4.25 0.14 0.00 0.26 0.00 0.00 34.13 30.17 1qhp s GLU 256 CO 0.07 -1.77 0.61 -0.46 -0.54 0.00 0.00 175.26 173.17 1qhp s TRP 257 N 3.78 3.31 0.19 5.30 -0.11 -1.26 -1.94 118.94 128.22 1qhp s TRP 257 Ca 0.20 -1.39 -0.31 0.00 1.22 0.00 0.00 56.10 55.83 1qhp s TRP 257 Cb -0.18 -3.85 -0.09 0.00 -1.50 0.00 0.00 33.47 27.84 1qhp s TRP 257 CO 0.09 -1.07 1.45 -0.47 -4.62 0.00 0.00 176.95 172.33 1qhp s TYR 258 N 1.51 3.10 0.00 5.86 6.14 -1.26 -4.82 117.35 127.88 1qhp s TYR 258 Ca 0.08 0.91 0.00 0.00 0.64 0.00 0.00 57.07 58.71 1qhp s TYR 258 Cb -0.24 -3.80 0.00 0.00 0.42 0.00 0.00 41.96 38.34 1qhp s TYR 258 CO 0.01 -2.75 0.00 0.41 0.64 0.00 0.00 175.55 173.86 1qhp n GLY 259 N 2.93 2.50 3.57 8.97 0.00 -1.26 -4.94 105.19 116.95 1qhp n GLY 259 Ca 0.10 -0.45 -0.26 0.00 0.00 0.00 0.00 46.02 45.40 1qhp n GLY 259 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qhp n ASP 260 N 2.21 -5.36 -4.63 1.61 8.00 -1.26 -4.80 116.55 112.31 1qhp n ASP 260 Ca 0.00 -0.92 -0.29 0.00 0.71 0.00 0.00 54.79 54.29 1qhp n ASP 260 Cb 0.00 -3.92 0.18 0.00 -0.02 0.00 0.00 41.12 37.36 1qhp n ASP 260 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1qhp s ASP 261 N -3.52 2.60 0.39 -2.24 1.11 -1.26 -4.31 116.67 109.43 1qhp s ASP 261 Ca 0.44 1.07 -0.27 0.00 0.18 0.00 0.00 52.55 53.97 1qhp s ASP 261 Cb -0.13 -1.68 -0.11 0.00 1.07 0.00 0.00 42.92 42.07 1qhp s ASP 261 CO 0.83 -3.13 1.32 -2.65 1.18 0.00 0.00 175.17 172.71 1qhp n PRO 262 N -4.16 2.14 -0.03 8.23 -0.02 -1.26 -2.00 135.00 137.90 1qhp n PRO 262 Ca 0.06 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 1qhp n PRO 262 Cb 0.58 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 1qhp n PRO 262 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qhp n GLY 263 N 0.73 1.36 3.93 -1.23 0.00 -1.26 -5.05 105.19 103.67 1qhp n GLY 263 Ca 0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 1qhp n GLY 263 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1qhp s THR 264 N -2.50 4.88 0.40 2.61 -4.23 -0.84 -5.01 115.64 110.96 1qhp s THR 264 Ca 0.00 -0.17 0.07 0.00 -1.18 0.00 0.00 61.69 60.42 1qhp s THR 264 Cb 0.00 -3.82 0.27 0.00 1.34 0.00 0.00 72.50 70.29 1qhp s THR 264 CO 0.00 -0.66 2.04 0.00 -0.54 0.00 0.00 174.62 175.46 1qhp h ALA 265 N 0.46 1.72 -0.62 3.99 0.00 -1.97 -2.74 119.26 120.11 1qhp h ALA 265 Ca -0.48 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1qhp h ALA 265 Cb 1.22 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1qhp h ALA 265 CO 0.61 0.25 0.00 0.09 0.00 0.00 0.00 179.25 180.20 1qhp n ASN 266 N -4.47 3.94 -0.10 0.00 3.02 -1.26 -4.57 115.26 111.82 1qhp n ASN 266 Ca 0.04 -2.15 -0.09 0.00 -0.03 0.00 0.00 54.58 52.36 1qhp n ASN 266 Cb 0.09 -0.46 -0.02 0.00 -0.61 0.00 0.00 39.78 38.78 1qhp n ASN 266 CO 0.00 0.00 0.00 -0.74 -2.62 0.00 0.00 177.26 173.90 1qhp h HIS 267 N 3.68 0.43 -0.41 3.10 2.76 -1.67 -2.81 115.15 120.23 1qhp h HIS 267 Ca 0.00 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.15 1qhp h HIS 267 Cb 1.07 -0.14 -0.02 0.00 1.55 0.00 0.00 27.41 29.87 1qhp h HIS 267 CO 0.50 0.33 0.21 1.25 -1.30 0.00 0.00 177.93 178.92 1qhp h LEU 268 N 0.41 0.50 -0.65 0.26 5.85 -1.80 -1.36 115.31 118.51 1qhp h LEU 268 Ca 0.12 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 1qhp h LEU 268 Cb 0.03 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 1qhp h LEU 268 CO -0.02 0.42 0.34 -0.08 -0.34 0.00 0.00 178.44 178.76 1qhp h GLU 269 N 0.57 0.92 -0.66 1.25 4.81 -1.82 0.60 114.58 120.25 1qhp h GLU 269 Ca 0.15 -0.12 -0.04 0.00 -0.13 0.00 0.00 59.36 59.22 1qhp h GLU 269 Cb 0.04 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.22 1qhp h GLU 269 CO -0.02 0.70 0.27 -0.22 -0.73 0.00 0.00 179.01 179.01 1qhp h LYS 270 N 0.89 0.98 -0.46 1.92 3.64 -1.11 -0.01 116.57 122.42 1qhp h LYS 270 Ca 0.23 -0.17 -0.02 0.00 -1.27 0.00 0.00 60.65 59.41 1qhp h LYS 270 Cb 0.06 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 1qhp h LYS 270 CO -0.03 0.81 0.20 0.28 -2.27 0.00 0.00 179.45 178.44 1qhp h VAL 271 N 0.92 1.20 -0.82 2.00 2.07 -0.84 -0.22 116.25 120.56 1qhp h VAL 271 Ca 0.22 -0.58 -0.00 0.00 0.82 0.00 0.00 66.70 67.16 1qhp h VAL 271 Cb 0.20 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 30.65 1qhp h VAL 271 CO -0.02 0.22 0.51 0.03 0.02 0.00 0.00 177.57 178.33 1qhp h ARG 272 N 0.60 1.10 -0.23 1.57 3.08 -0.63 -0.51 114.38 119.36 1qhp h ARG 272 Ca 0.16 -0.09 0.02 0.00 0.07 0.00 0.00 59.98 60.13 1qhp h ARG 272 Cb 0.16 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 1qhp h ARG 272 CO -0.02 0.77 0.10 -0.92 -1.07 0.00 0.00 179.97 178.83 1qhp h TYR 273 N 1.12 0.19 -0.85 3.04 5.03 -0.46 0.12 116.97 125.16 1qhp h TYR 273 Ca 0.30 0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.61 1qhp h TYR 273 Cb -0.06 -0.05 -0.04 0.00 1.55 0.00 0.00 36.73 38.12 1qhp h TYR 273 CO -0.01 0.10 0.52 0.00 -1.32 0.00 0.00 178.16 177.45 1qhp h ALA 274 N 1.13 1.30 0.00 1.82 0.00 -0.54 -0.13 119.26 122.84 1qhp h ALA 274 Ca 0.10 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1qhp h ALA 274 Cb 0.04 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.49 1qhp h ALA 274 CO -0.08 0.60 -0.12 -0.91 0.00 0.00 0.00 179.25 178.74 1qhp h ASN 275 N 1.18 0.00 0.00 0.00 2.35 -0.77 -3.41 115.58 114.93 1qhp h ASN 275 Ca 0.31 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 56.03 1qhp h ASN 275 Cb -0.05 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.32 1qhp h ASN 275 CO -0.06 0.01 -0.74 0.59 -1.65 0.00 0.00 177.43 175.59 1qhp n ASN 276 N -2.49 3.70 0.24 5.81 3.02 0.00 -4.72 115.26 120.82 1qhp n ASN 276 Ca 0.05 0.00 0.15 0.00 -0.03 0.00 0.00 54.58 54.75 1qhp n ASN 276 Cb 0.46 0.59 0.54 0.00 -0.61 0.00 0.00 39.78 40.77 1qhp n ASN 276 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1qhp h SER 277 N 0.00 0.00 0.00 6.41 4.64 -1.20 -3.46 113.55 119.94 1qhp h SER 277 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1qhp h SER 277 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1qhp h SER 277 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1qhp n GLY 278 N 0.32 0.70 3.13 -0.77 0.00 -1.26 -4.04 105.19 103.26 1qhp n GLY 278 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 1qhp n GLY 278 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qhp s VAL 279 N -2.51 1.92 0.97 1.61 1.01 -1.26 -4.82 120.40 117.32 1qhp s VAL 279 Ca 0.00 -0.89 -0.15 0.00 0.00 0.00 0.00 61.98 60.94 1qhp s VAL 279 Cb 0.00 -1.72 0.18 0.00 0.00 0.00 0.00 36.38 34.85 1qhp s VAL 279 CO 0.00 0.52 1.22 0.20 0.00 0.00 0.00 175.10 177.04 1qhp s ASN 280 N 0.94 3.05 0.13 3.32 0.01 -0.66 -4.44 114.94 117.29 1qhp s ASN 280 Ca -0.05 0.57 0.06 0.00 -0.71 0.00 0.00 52.86 52.73 1qhp s ASN 280 Cb -0.15 -0.83 -0.04 0.00 0.41 0.00 0.00 41.25 40.64 1qhp s ASN 280 CO -0.04 -2.80 -0.13 0.68 -1.51 0.00 0.00 177.10 173.30 1qhp s VAL 281 N -3.55 1.30 0.33 1.60 -7.23 -1.26 0.21 120.40 111.80 1qhp s VAL 281 Ca 0.69 -1.78 -0.28 0.00 -1.81 0.00 0.00 61.98 58.80 1qhp s VAL 281 Cb -0.08 -1.58 -0.09 0.00 0.56 0.00 0.00 36.38 35.18 1qhp s VAL 281 CO 0.53 -0.48 1.13 -0.76 -0.31 0.00 0.00 175.10 175.21 1qhp s LEU 282 N -2.59 4.41 -1.23 1.32 1.43 -0.89 -2.46 118.68 118.67 1qhp s LEU 282 Ca 0.10 2.30 -0.13 0.00 -1.03 0.00 0.00 54.13 55.37 1qhp s LEU 282 Cb -0.04 -3.78 0.17 0.00 0.03 0.00 0.00 46.19 42.57 1qhp s LEU 282 CO 0.03 -0.34 1.53 -0.67 0.23 0.00 0.00 176.35 177.13 1qhp n ASP 283 N 0.76 5.19 0.05 2.29 -0.08 0.95 -4.74 116.55 120.96 1qhp n ASP 283 Ca 0.01 -3.00 -0.05 0.00 -1.51 0.00 0.00 54.79 50.24 1qhp n ASP 283 Cb 0.45 -1.56 0.16 0.00 2.34 0.00 0.00 41.12 42.51 1qhp n ASP 283 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 1qhp h PHE 284 N 6.87 0.44 -0.15 -0.67 -1.00 -1.88 -1.67 116.94 118.87 1qhp h PHE 284 Ca 0.34 -0.13 0.04 0.00 2.81 0.00 0.00 57.97 61.03 1qhp h PHE 284 Cb 0.82 -0.09 -0.04 0.00 3.61 0.00 0.00 35.95 40.25 1qhp h PHE 284 CO 1.14 0.75 -0.11 -0.44 -1.61 0.00 0.00 178.31 178.04 1qhp h ASP 285 N 0.30 -0.36 0.37 2.17 3.32 -1.87 -2.19 116.42 118.17 1qhp h ASP 285 Ca 0.02 0.08 -0.17 0.00 0.02 0.00 0.00 57.03 56.97 1qhp h ASP 285 Cb 0.91 0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.64 1qhp h ASP 285 CO 0.08 -0.15 -0.72 0.25 -1.72 0.00 0.00 179.24 176.97 1qhp h LEU 286 N -0.12 0.36 -0.64 1.55 5.85 -1.91 -3.28 115.31 117.11 1qhp h LEU 286 Ca 0.09 -0.24 0.07 0.00 0.84 0.00 0.00 57.88 58.65 1qhp h LEU 286 Cb 0.26 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.13 1qhp h LEU 286 CO -0.23 0.96 0.33 -1.13 -0.34 0.00 0.00 178.44 178.04 1qhp h ASN 287 N 0.20 0.46 -0.69 1.25 -0.73 -0.82 -0.38 115.58 114.87 1qhp h ASN 287 Ca -0.03 0.04 0.06 0.00 1.87 0.00 0.00 56.30 58.25 1qhp h ASN 287 Cb 1.29 -0.04 -0.06 0.00 0.27 0.00 0.00 38.32 39.78 1qhp h ASN 287 CO 0.12 0.29 0.39 0.74 -0.37 0.00 0.00 177.43 178.60 1qhp h THR 288 N 0.60 0.97 -0.08 -3.57 2.02 -1.47 -1.81 112.91 109.57 1qhp h THR 288 Ca 0.30 -0.24 -0.23 0.00 0.77 0.00 0.00 66.41 67.00 1qhp h THR 288 Cb 0.24 0.20 0.01 0.00 -1.74 0.00 0.00 68.15 66.86 1qhp h THR 288 CO -0.21 0.13 -0.87 0.58 0.37 0.00 0.00 175.52 175.52 1qhp h VAL 289 N 0.71 1.31 -0.57 3.16 2.07 -1.52 -2.48 116.25 118.93 1qhp h VAL 289 Ca 0.31 -2.13 0.08 0.00 0.82 0.00 0.00 66.70 65.79 1qhp h VAL 289 Cb 0.19 2.16 -0.07 0.00 -1.52 0.00 0.00 31.29 32.06 1qhp h VAL 289 CO -0.19 0.66 0.20 0.40 0.02 0.00 0.00 177.57 178.67 1qhp h ILE 290 N 0.43 0.78 -0.25 4.57 2.04 -0.84 0.19 117.51 124.42 1qhp h ILE 290 Ca -0.07 -0.13 -0.08 0.00 1.00 0.00 0.00 64.86 65.57 1qhp h ILE 290 Cb 1.50 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.94 1qhp h ILE 290 CO 0.17 0.07 -0.21 0.03 0.00 0.00 0.00 178.15 178.21 1qhp h ARG 291 N 0.38 0.46 0.00 2.37 3.08 -1.27 -1.02 114.38 118.38 1qhp h ARG 291 Ca 0.28 -0.16 -0.06 0.00 0.07 0.00 0.00 59.98 60.12 1qhp h ARG 291 Cb 0.33 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 1qhp h ARG 291 CO -0.29 0.65 -0.28 -0.91 -1.07 0.00 0.00 179.97 178.06 1qhp h ASN 292 N 0.41 0.00 0.04 7.04 2.35 -0.87 0.12 115.58 124.67 1qhp h ASN 292 Ca 0.07 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.61 1qhp h ASN 292 Cb 0.60 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.95 1qhp h ASN 292 CO 0.04 0.28 -1.12 0.58 -1.65 0.00 0.00 177.43 175.56 1qhp h VAL 293 N 0.00 1.08 0.00 2.81 2.07 -0.30 0.35 116.25 122.26 1qhp h VAL 293 Ca -0.00 -2.28 -0.08 0.00 0.82 0.00 0.00 66.70 65.16 1qhp h VAL 293 Cb 1.20 2.58 -0.01 0.00 -1.52 0.00 0.00 31.29 33.53 1qhp h VAL 293 CO 0.04 0.50 -1.49 0.49 0.02 0.00 0.00 177.57 177.13 1qhp n PHE 294 N -4.27 0.65 0.00 1.57 3.72 -0.42 -4.18 117.46 114.53 1qhp n PHE 294 Ca -0.26 0.20 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 1qhp n PHE 294 Cb 0.73 -0.88 0.00 0.00 -0.94 0.00 0.00 39.48 38.38 1qhp n PHE 294 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1qhp n GLY 295 N 1.31 -0.34 0.12 1.37 0.00 -0.25 -4.74 105.19 102.66 1qhp n GLY 295 Ca -0.06 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.08 1qhp n GLY 295 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1qhp h THR 296 N 0.00 0.00 -5.03 2.61 1.35 -1.18 -3.41 112.91 107.25 1qhp h THR 296 Ca 0.00 -0.63 -0.41 0.00 -0.55 0.00 0.00 66.41 64.82 1qhp h THR 296 Cb 0.00 1.50 0.08 0.00 -1.73 0.00 0.00 68.15 68.00 1qhp h THR 296 CO 0.00 0.00 -0.64 0.49 -0.25 0.00 0.00 175.52 175.12 1qhp n PHE 297 N -2.44 -2.29 0.81 4.73 3.01 -0.02 -4.87 117.46 116.38 1qhp n PHE 297 Ca 0.04 0.70 0.11 0.00 1.01 0.00 0.00 57.45 59.31 1qhp n PHE 297 Cb 0.46 -4.62 -0.07 0.00 -0.01 0.00 0.00 39.48 35.24 1qhp n PHE 297 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1qhp n THR 298 N -4.68 0.02 -4.55 4.37 -2.24 -0.40 -4.92 114.28 101.89 1qhp n THR 298 Ca -0.06 -0.10 -0.25 0.00 -2.27 0.00 0.00 64.05 61.36 1qhp n THR 298 Cb 0.60 0.68 -0.11 0.00 -2.10 0.00 0.00 70.33 69.40 1qhp n THR 298 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1qhp s GLN 299 N -3.10 1.83 0.37 -0.78 -0.21 -0.95 -5.02 119.66 111.82 1qhp s GLN 299 Ca 0.06 -2.03 0.00 0.00 0.02 0.00 0.00 55.36 53.41 1qhp s GLN 299 Cb 0.16 -1.34 0.00 0.00 1.00 0.00 0.00 33.01 32.83 1qhp s GLN 299 CO 0.85 -0.10 0.02 0.25 -2.12 0.00 0.00 175.29 174.19 1qhp n THR 300 N -0.85 0.00 0.25 -0.19 -2.24 -1.26 -4.38 114.28 105.61 1qhp n THR 300 Ca -0.04 -1.75 0.10 0.00 -2.27 0.00 0.00 64.05 60.10 1qhp n THR 300 Cb 0.67 0.32 0.65 0.00 -2.10 0.00 0.00 70.33 69.87 1qhp n THR 300 CO 0.00 0.00 0.00 0.24 -0.57 0.00 0.00 175.07 174.74 1qhp h MET 301 N 0.00 0.00 -0.83 -0.78 2.86 -1.38 -0.41 114.93 114.39 1qhp h MET 301 Ca -0.31 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.30 1qhp h MET 301 Cb 0.93 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.56 1qhp h MET 301 CO 0.51 0.15 0.39 1.88 1.06 0.00 0.00 176.91 180.90 1qhp h TYR 302 N 0.00 1.19 -0.27 -0.22 0.05 -1.83 -0.34 116.97 115.55 1qhp h TYR 302 Ca -0.00 -0.06 -0.11 0.00 0.05 0.00 0.00 58.73 58.61 1qhp h TYR 302 Cb 0.35 -0.37 -0.01 0.00 1.01 0.00 0.00 36.73 37.71 1qhp h TYR 302 CO 0.00 0.86 -0.28 -0.44 -1.05 0.00 0.00 178.16 177.26 1qhp h ASP 303 N 1.18 0.55 -0.06 3.88 3.32 -1.48 0.11 116.42 123.92 1qhp h ASP 303 Ca 0.28 -0.20 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 1qhp h ASP 303 Cb 0.12 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.52 1qhp h ASP 303 CO -0.04 0.81 -0.00 0.25 -1.72 0.00 0.00 179.24 178.54 1qhp h LEU 304 N 0.47 0.10 -0.96 1.55 5.85 -0.87 -0.90 115.31 120.56 1qhp h LEU 304 Ca 0.06 -0.33 -0.02 0.00 0.84 0.00 0.00 57.88 58.44 1qhp h LEU 304 Cb 0.73 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.69 1qhp h LEU 304 CO 0.06 0.40 0.49 -1.13 -0.34 0.00 0.00 178.44 177.92 1qhp h ASN 305 N -0.21 1.09 -0.91 1.25 -1.24 -0.99 -1.40 115.58 113.18 1qhp h ASN 305 Ca 0.02 -0.09 -0.01 0.00 0.71 0.00 0.00 56.30 56.92 1qhp h ASN 305 Cb 0.35 -0.28 -0.04 0.00 0.73 0.00 0.00 38.32 39.08 1qhp h ASN 305 CO 0.00 0.87 0.52 0.78 -1.29 0.00 0.00 177.43 178.31 1qhp h ASN 306 N 1.23 1.12 0.12 1.15 2.35 -0.76 -1.04 115.58 119.75 1qhp h ASN 306 Ca 0.31 -0.09 -0.15 0.00 -0.55 0.00 0.00 56.30 55.83 1qhp h ASN 306 Cb 0.01 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.09 1qhp h ASN 306 CO -0.05 0.88 -0.53 -0.03 -1.65 0.00 0.00 177.43 176.05 1qhp h MET 307 N 1.27 0.44 -0.47 0.81 4.05 -0.67 0.10 114.93 120.46 1qhp h MET 307 Ca 0.32 -0.27 0.00 0.00 -0.28 0.00 0.00 59.70 59.48 1qhp h MET 307 Cb -0.01 0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 30.79 1qhp h MET 307 CO -0.06 0.86 0.31 0.28 0.23 0.00 0.00 176.91 178.53 1qhp h VAL 308 N 0.34 1.13 -0.45 -5.77 2.07 -0.84 -1.19 116.25 111.54 1qhp h VAL 308 Ca 0.01 -0.25 -0.07 0.00 0.82 0.00 0.00 66.70 67.21 1qhp h VAL 308 Cb 1.04 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 1qhp h VAL 308 CO 0.09 0.12 -0.00 0.78 0.02 0.00 0.00 177.57 178.58 1qhp h ASN 309 N 0.63 0.78 -0.19 0.57 2.35 -0.94 -1.01 115.58 117.77 1qhp h ASN 309 Ca 0.17 -0.31 -0.03 0.00 -0.55 0.00 0.00 56.30 55.58 1qhp h ASN 309 Cb -0.06 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.09 1qhp h ASN 309 CO -0.04 0.90 0.00 -0.61 -1.65 0.00 0.00 177.43 176.04 1qhp h GLN 310 N 0.64 0.34 -0.40 0.81 4.15 -0.69 -1.63 115.11 118.32 1qhp h GLN 310 Ca 0.13 -0.11 -0.06 0.00 0.77 0.00 0.00 58.65 59.38 1qhp h GLN 310 Cb 0.50 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.14 1qhp h GLN 310 CO 0.02 0.54 -0.01 1.79 -1.93 0.00 0.00 178.83 179.24 1qhp h THR 311 N 0.10 1.22 -0.32 2.39 1.35 -1.24 -2.14 112.91 114.27 1qhp h THR 311 Ca 0.06 -0.92 -0.02 0.00 -0.55 0.00 0.00 66.41 64.98 1qhp h THR 311 Cb 0.38 0.93 -0.02 0.00 -1.73 0.00 0.00 68.15 67.71 1qhp h THR 311 CO 0.01 0.32 0.11 1.23 -0.25 0.00 0.00 175.52 176.93 1qhp h GLY 312 N 0.92 0.49 1.83 5.82 0.00 -0.88 -1.45 103.07 109.80 1qhp h GLY 312 Ca 0.12 -0.23 -0.07 0.00 0.00 0.00 0.00 47.33 47.15 1qhp h GLY 312 CO 0.02 0.22 -0.47 3.43 0.00 0.00 0.00 176.54 179.73 1qhp h ASN 313 N 0.46 0.00 0.07 0.19 2.35 -0.80 -3.39 115.58 114.46 1qhp h ASN 313 Ca 0.11 0.00 -0.36 0.00 -0.55 0.00 0.00 56.30 55.50 1qhp h ASN 313 Cb 0.13 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.46 1qhp h ASN 313 CO -0.01 0.32 -2.04 -0.62 -1.65 0.00 0.00 177.43 173.43 1qhp n GLU 314 N -3.12 0.70 -3.07 0.81 1.02 -0.84 -4.90 120.64 111.24 1qhp n GLU 314 Ca 0.01 0.28 -0.41 0.00 -0.02 0.00 0.00 57.16 57.03 1qhp n GLU 314 Cb 0.67 -1.66 -0.06 0.00 -0.02 0.00 0.00 31.44 30.37 1qhp n GLU 314 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1qhp s TYR 315 N -2.52 3.29 0.25 -0.32 2.02 -0.61 -4.95 117.35 114.52 1qhp s TYR 315 Ca -0.27 0.88 -0.05 0.00 -0.37 0.00 0.00 57.07 57.25 1qhp s TYR 315 Cb 0.08 -2.87 0.27 0.00 -0.40 0.00 0.00 41.96 39.03 1qhp s TYR 315 CO 0.69 -0.33 1.86 -0.22 -1.57 0.00 0.00 175.55 175.98 1qhp h LYS 316 N 7.83 1.16 -2.39 -0.62 3.64 -1.90 -3.01 116.57 121.29 1qhp h LYS 316 Ca -0.26 -0.15 -0.68 0.00 -1.27 0.00 0.00 60.65 58.29 1qhp h LYS 316 Cb 1.12 -0.22 -0.37 0.00 -0.41 0.00 0.00 32.23 32.35 1qhp h LYS 316 CO 0.79 0.87 -0.05 0.66 -2.27 0.00 0.00 179.45 179.45 1qhp n TYR 317 N -4.32 3.30 0.31 1.91 4.01 -1.26 -4.85 117.16 116.24 1qhp n TYR 317 Ca 0.08 -3.53 0.20 0.00 -0.16 0.00 0.00 57.90 54.49 1qhp n TYR 317 Cb 0.12 -0.79 0.93 0.00 -0.31 0.00 0.00 39.34 39.29 1qhp n TYR 317 CO 0.00 0.00 0.00 1.57 -0.46 0.00 0.00 176.86 177.97 1qhp h LYS 318 N 4.19 0.00 0.00 -0.72 -0.00 -1.88 -1.22 116.57 116.94 1qhp h LYS 318 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.88 1qhp h LYS 318 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.79 1qhp h LYS 318 CO 1.00 0.00 0.00 0.39 -0.00 0.00 0.00 179.45 180.84 1qhp n GLU 319 N -3.10 0.42 0.00 0.07 4.71 -1.26 -2.14 120.64 119.33 1qhp n GLU 319 Ca -0.01 0.05 0.11 0.00 -0.01 0.00 0.00 57.16 57.30 1qhp n GLU 319 Cb 0.20 -1.50 0.04 0.00 -1.01 0.00 0.00 31.44 29.17 1qhp n GLU 319 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1qhp n ASN 320 N -1.23 2.28 -4.76 1.62 3.02 -0.46 -3.80 115.26 111.92 1qhp n ASN 320 Ca 0.13 -1.64 -0.41 0.00 -0.03 0.00 0.00 54.58 52.63 1qhp n ASN 320 Cb 0.17 0.32 -0.02 0.00 -0.61 0.00 0.00 39.78 39.65 1qhp n ASN 320 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1qhp s LEU 321 N -2.33 4.38 -0.36 3.41 1.43 -0.91 -4.53 118.68 119.76 1qhp s LEU 321 Ca 0.22 2.79 -0.11 0.00 -1.03 0.00 0.00 54.13 55.99 1qhp s LEU 321 Cb 0.19 -3.64 0.01 0.00 0.03 0.00 0.00 46.19 42.78 1qhp s LEU 321 CO 0.49 -0.72 0.21 -0.63 0.23 0.00 0.00 176.35 175.93 1qhp s ILE 322 N -0.56 4.75 0.33 -0.59 -1.09 -1.03 -1.33 121.20 121.67 1qhp s ILE 322 Ca 0.55 -0.64 -0.01 0.00 -2.23 0.00 0.00 60.65 58.32 1qhp s ILE 322 Cb -0.43 -3.56 -0.04 0.00 -1.58 0.00 0.00 42.46 36.85 1qhp s ILE 322 CO 0.51 -0.14 0.55 0.42 -1.23 0.00 0.00 174.94 175.05 1qhp s THR 323 N 1.61 5.08 -0.06 2.92 -4.23 -0.22 -0.04 115.64 120.71 1qhp s THR 323 Ca 0.04 -0.28 -0.29 0.00 -1.18 0.00 0.00 61.69 59.97 1qhp s THR 323 Cb -0.18 -3.82 0.10 0.00 1.34 0.00 0.00 72.50 69.94 1qhp s THR 323 CO 0.07 -0.48 0.88 0.72 -0.54 0.00 0.00 174.62 175.27 1qhp s PHE 324 N -2.24 -0.41 -0.18 3.99 -0.71 -1.26 0.16 117.98 117.32 1qhp s PHE 324 Ca 0.41 0.50 0.18 0.00 -1.04 0.00 0.00 56.93 56.99 1qhp s PHE 324 Cb -0.10 0.49 -0.25 0.00 -1.21 0.00 0.00 43.02 41.94 1qhp s PHE 324 CO 0.34 -0.50 0.14 -0.89 -1.34 0.00 0.00 175.22 172.98 1qhp n ILE 325 N 0.27 1.29 -3.86 -4.49 5.41 -1.26 -4.48 119.36 112.23 1qhp n ILE 325 Ca -0.11 -0.83 -0.10 0.00 1.00 0.00 0.00 62.75 62.71 1qhp n ILE 325 Cb 0.60 -0.45 0.02 0.00 -0.71 0.00 0.00 39.64 39.09 1qhp n ILE 325 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1qhp n ASP 326 N -2.73 -2.13 -1.21 4.38 5.68 -1.26 -4.79 116.55 114.50 1qhp n ASP 326 Ca -0.30 -2.68 -0.00 0.00 -0.50 0.00 0.00 54.79 51.31 1qhp n ASP 326 Cb 1.10 3.60 0.00 0.00 -1.14 0.00 0.00 41.12 44.69 1qhp n ASP 326 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1qhp n ASN 327 N -1.55 -0.13 0.00 -1.12 0.23 -1.26 -4.66 115.26 106.76 1qhp n ASN 327 Ca -0.07 -1.06 0.12 0.00 -0.53 0.00 0.00 54.58 53.04 1qhp n ASN 327 Cb 0.60 0.21 0.67 0.00 -2.08 0.00 0.00 39.78 39.18 1qhp n ASN 327 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1qhp n HIS 328 N -0.07 0.00 -0.12 -2.53 1.44 -1.26 -3.19 115.22 109.49 1qhp n HIS 328 Ca -0.00 0.00 0.02 0.00 -2.01 0.00 0.00 57.72 55.73 1qhp n HIS 328 Cb 0.05 -0.06 0.06 0.00 0.12 0.00 0.00 29.99 30.17 1qhp n HIS 328 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 1qhp n ASP 329 N -1.06 2.37 -3.89 4.39 8.00 -1.26 -4.54 116.55 120.56 1qhp n ASP 329 Ca 0.16 -2.07 -0.09 0.00 0.71 0.00 0.00 54.79 53.51 1qhp n ASP 329 Cb 0.10 -0.11 -0.07 0.00 -0.02 0.00 0.00 41.12 41.02 1qhp n ASP 329 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1qhp s MET 330 N -1.12 0.92 0.54 -1.24 0.23 -1.19 -4.84 119.30 112.60 1qhp s MET 330 Ca 0.10 -1.03 -0.22 0.00 -1.03 0.00 0.00 55.69 53.52 1qhp s MET 330 Cb 0.06 0.35 -0.05 0.00 -1.53 0.00 0.00 34.83 33.65 1qhp s MET 330 CO 0.06 -0.30 1.30 -1.13 -2.03 0.00 0.00 175.02 172.91 1qhp n SER 331 N -0.10 2.42 -4.74 -1.18 3.41 -1.26 -4.44 113.62 107.73 1qhp n SER 331 Ca -0.13 0.97 -0.38 0.00 -0.26 0.00 0.00 58.87 59.07 1qhp n SER 331 Cb 0.63 -1.54 0.05 0.00 -0.26 0.00 0.00 64.21 63.08 1qhp n SER 331 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1qhp s ARG 332 N -2.80 2.95 0.22 4.33 0.52 -0.18 -4.72 118.95 119.26 1qhp s ARG 332 Ca 0.71 2.16 -0.10 0.00 -0.52 0.00 0.00 55.73 57.98 1qhp s ARG 332 Cb -0.43 -2.11 0.31 0.00 0.52 0.00 0.00 34.95 33.24 1qhp s ARG 332 CO 0.50 -1.32 1.67 0.35 0.02 0.00 0.00 175.30 176.52 1qhp h PHE 333 N 1.14 0.00 0.00 -0.53 3.04 -1.88 0.26 116.94 118.97 1qhp h PHE 333 Ca -0.51 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.49 1qhp h PHE 333 Cb 1.31 0.10 0.00 0.00 2.56 0.00 0.00 35.95 39.92 1qhp h PHE 333 CO 0.44 -0.15 0.00 1.28 -2.02 0.00 0.00 178.31 177.86 1qhp n LEU 334 N -5.26 0.64 0.13 0.59 4.77 -1.26 -0.93 117.00 115.68 1qhp n LEU 334 Ca 0.09 0.73 0.12 0.00 -0.03 0.00 0.00 56.01 56.92 1qhp n LEU 334 Cb 0.36 -0.72 0.06 0.00 -2.33 0.00 0.00 43.42 40.79 1qhp n LEU 334 CO 0.11 -0.79 0.25 0.28 -1.33 0.00 0.00 177.39 175.91 1qhp h SER 335 N 0.00 0.00 0.09 -1.43 0.02 -1.20 -3.09 113.55 107.94 1qhp h SER 335 Ca 0.00 -0.02 -0.22 0.00 -0.84 0.00 0.00 61.79 60.71 1qhp h SER 335 Cb 0.17 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.73 1qhp h SER 335 CO 0.00 0.01 -0.90 0.58 -1.14 0.00 0.00 176.83 175.38 1qhp h VAL 336 N 0.00 1.41 -2.10 2.27 2.07 -0.75 -3.46 116.25 115.69 1qhp h VAL 336 Ca 0.00 -2.37 -0.11 0.00 0.82 0.00 0.00 66.70 65.04 1qhp h VAL 336 Cb 0.97 2.85 -0.28 0.00 -1.52 0.00 0.00 31.29 33.30 1qhp h VAL 336 CO 0.00 0.69 -0.42 0.21 0.02 0.00 0.00 177.57 178.07 1qhp s ASN 337 N -7.06 -0.06 0.00 0.57 3.84 -0.16 -4.73 114.94 107.34 1qhp s ASN 337 Ca -0.12 0.58 0.31 0.00 0.21 0.00 0.00 52.86 53.84 1qhp s ASN 337 Cb 0.03 1.27 1.83 0.00 -0.55 0.00 0.00 41.25 43.83 1qhp s ASN 337 CO 0.86 -0.27 2.18 -1.54 -2.79 0.00 0.00 177.10 175.55 1qhp n SER 338 N 5.38 0.00 -4.64 -4.21 3.41 -1.17 -4.02 113.62 108.37 1qhp n SER 338 Ca -0.05 -0.87 -0.43 0.00 -0.26 0.00 0.00 58.87 57.26 1qhp n SER 338 Cb 0.50 -0.04 -0.03 0.00 -0.26 0.00 0.00 64.21 64.38 1qhp n SER 338 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1qhp s ASN 339 N -2.08 6.48 0.39 4.04 3.84 -1.26 -4.89 114.94 121.45 1qhp s ASN 339 Ca 0.45 1.82 0.15 0.00 0.21 0.00 0.00 52.86 55.49 1qhp s ASN 339 Cb 0.21 -2.53 0.80 0.00 -0.55 0.00 0.00 41.25 39.18 1qhp s ASN 339 CO 0.38 -1.15 1.84 0.11 -2.79 0.00 0.00 177.10 175.49 1qhp h LYS 340 N 10.33 0.00 -0.56 0.43 1.57 -2.00 -2.30 116.57 124.05 1qhp h LYS 340 Ca -0.35 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.35 1qhp h LYS 340 Cb 1.16 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.45 1qhp h LYS 340 CO 0.98 0.34 0.02 0.00 -0.57 0.00 0.00 179.45 180.23 1qhp h ALA 341 N 1.66 0.98 -0.39 3.86 0.00 -1.94 0.57 119.26 123.99 1qhp h ALA 341 Ca -0.00 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.55 1qhp h ALA 341 Cb 0.65 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1qhp h ALA 341 CO 0.04 0.63 -0.07 -0.91 0.00 0.00 0.00 179.25 178.94 1qhp h ASN 342 N 0.88 0.64 -0.34 0.00 -0.26 -1.76 -0.09 115.58 114.66 1qhp h ASN 342 Ca 0.17 -0.17 -0.03 0.00 -0.56 0.00 0.00 56.30 55.71 1qhp h ASN 342 Cb 0.49 -0.17 -0.01 0.00 -1.06 0.00 0.00 38.32 37.57 1qhp h ASN 342 CO 0.02 0.76 0.08 0.25 -1.06 0.00 0.00 177.43 177.48 1qhp h LEU 343 N 0.61 0.51 -1.04 1.61 5.85 -1.13 -1.35 115.31 120.38 1qhp h LEU 343 Ca 0.11 -0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.61 1qhp h LEU 343 Cb 0.50 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.34 1qhp h LEU 343 CO 0.03 0.61 0.65 0.45 -0.34 0.00 0.00 178.44 179.84 1qhp h HIS 344 N 0.39 1.23 -0.32 1.25 3.86 -0.44 -0.34 115.15 120.77 1qhp h HIS 344 Ca 0.11 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.30 1qhp h HIS 344 Cb 0.30 -0.42 -0.01 0.00 1.06 0.00 0.00 27.41 28.34 1qhp h HIS 344 CO 0.02 0.77 0.03 1.96 0.86 0.00 0.00 177.93 181.57 1qhp h GLN 345 N 1.32 0.54 -0.72 2.45 4.20 -0.84 -0.47 115.11 121.60 1qhp h GLN 345 Ca 0.36 -0.15 -0.02 0.00 0.06 0.00 0.00 58.65 58.90 1qhp h GLN 345 Cb -0.14 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.55 1qhp h GLN 345 CO -0.08 0.65 0.38 0.00 -0.67 0.00 0.00 178.83 179.10 1qhp h ALA 346 N 0.87 0.92 -0.37 3.87 0.00 -0.76 -0.34 119.26 123.46 1qhp h ALA 346 Ca 0.09 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1qhp h ALA 346 Cb 0.38 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1qhp h ALA 346 CO 0.01 0.46 0.17 -0.07 0.00 0.00 0.00 179.25 179.81 1qhp h LEU 347 N 1.00 0.49 -1.17 0.00 3.38 -0.98 -2.44 115.31 115.57 1qhp h LEU 347 Ca 0.25 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 58.09 1qhp h LEU 347 Cb 0.07 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 1qhp h LEU 347 CO -0.04 0.49 0.54 0.00 0.09 0.00 0.00 178.44 179.52 1qhp h ALA 348 N 1.02 1.39 0.34 1.53 0.00 -0.62 0.59 119.26 123.51 1qhp h ALA 348 Ca 0.12 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1qhp h ALA 348 Cb 0.14 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1qhp h ALA 348 CO -0.01 0.55 -0.28 0.35 0.00 0.00 0.00 179.25 179.86 1qhp h PHE 349 N 1.12 -0.75 -0.02 0.00 3.57 -0.79 -1.85 116.94 118.22 1qhp h PHE 349 Ca 0.30 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.69 1qhp h PHE 349 Cb -0.11 0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 1qhp h PHE 349 CO 0.00 -0.42 -0.51 -0.84 -2.23 0.00 0.00 178.31 174.31 1qhp h ILE 350 N -0.64 1.36 0.00 1.41 3.07 -1.16 -0.57 117.51 120.99 1qhp h ILE 350 Ca -0.02 -1.75 -0.04 0.00 1.55 0.00 0.00 64.86 64.60 1qhp h ILE 350 Cb 0.56 1.92 -0.01 0.00 -0.27 0.00 0.00 36.82 39.03 1qhp h ILE 350 CO -0.02 0.50 -0.18 -0.07 -1.05 0.00 0.00 178.15 177.33 1qhp h LEU 351 N 0.04 0.00 -0.30 0.16 3.38 -0.65 -3.21 115.31 114.73 1qhp h LEU 351 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1qhp h LEU 351 Cb 0.91 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1qhp h LEU 351 CO 0.07 0.18 -0.31 0.35 0.09 0.00 0.00 178.44 178.82 1qhp n THR 352 N -3.73 0.00 -2.42 0.22 -2.24 -0.72 -4.82 114.28 100.57 1qhp n THR 352 Ca -0.02 -0.34 -0.25 0.00 -2.27 0.00 0.00 64.05 61.17 1qhp n THR 352 Cb 0.30 1.04 0.05 0.00 -2.10 0.00 0.00 70.33 69.62 1qhp n THR 352 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1qhp s SER 353 N -1.58 5.21 0.70 3.42 0.01 -0.24 -4.85 113.70 116.37 1qhp s SER 353 Ca 0.05 0.40 -0.16 0.00 1.31 0.00 0.00 55.95 57.55 1qhp s SER 353 Cb 0.07 -1.25 0.02 0.00 0.21 0.00 0.00 66.02 65.07 1qhp s SER 353 CO 0.30 -1.28 1.25 0.00 0.41 0.00 0.00 173.24 173.92 1qhp s ARG 354 N -5.01 2.28 0.44 12.44 3.03 -1.26 -4.72 118.95 126.15 1qhp s ARG 354 Ca 0.57 1.90 0.00 0.00 2.03 0.00 0.00 55.73 60.23 1qhp s ARG 354 Cb -0.11 -1.83 0.00 0.00 -1.03 0.00 0.00 34.95 31.98 1qhp s ARG 354 CO 0.43 -1.76 0.00 0.41 -1.13 0.00 0.00 175.30 173.25 1qhp n GLY 355 N 0.64 -1.98 3.12 3.88 0.00 -1.25 -4.88 105.19 104.72 1qhp n GLY 355 Ca 0.15 -1.77 -0.30 0.00 0.00 0.00 0.00 46.02 44.10 1qhp n GLY 355 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qhp s THR 356 N -0.07 1.71 0.30 2.61 2.01 -0.44 -4.94 115.64 116.82 1qhp s THR 356 Ca 0.00 -0.79 -0.29 0.00 0.31 0.00 0.00 61.69 60.92 1qhp s THR 356 Cb 0.00 -1.53 -0.10 0.00 0.01 0.00 0.00 72.50 70.89 1qhp s THR 356 CO 0.00 0.48 1.15 -2.16 -0.69 0.00 0.00 174.62 173.40 1qhp s PRO 357 N 0.74 4.56 -0.24 4.92 0.04 -1.26 -1.05 135.00 142.71 1qhp s PRO 357 Ca -0.11 1.89 -0.02 0.00 0.04 0.00 0.00 61.00 62.80 1qhp s PRO 357 Cb -0.16 -3.14 0.02 0.00 0.04 0.00 0.00 34.50 31.26 1qhp s PRO 357 CO 0.02 0.11 -0.07 0.45 0.04 0.00 0.00 177.00 177.55 1qhp s SER 358 N -0.81 4.22 -0.26 6.66 0.15 0.12 -0.99 113.70 122.80 1qhp s SER 358 Ca 0.46 -0.74 -0.10 0.00 0.70 0.00 0.00 55.95 56.27 1qhp s SER 358 Cb -0.34 -1.67 -0.05 0.00 -1.71 0.00 0.00 66.02 62.26 1qhp s SER 358 CO 0.43 -0.09 0.16 -0.63 1.20 0.00 0.00 173.24 174.31 1qhp s ILE 359 N 1.36 5.16 0.17 6.45 1.01 0.30 -4.47 121.20 131.18 1qhp s ILE 359 Ca 0.02 0.12 -0.30 0.00 0.00 0.00 0.00 60.65 60.48 1qhp s ILE 359 Cb -0.16 -3.43 -0.08 0.00 0.01 0.00 0.00 42.46 38.80 1qhp s ILE 359 CO -0.05 0.30 1.27 -0.47 0.00 0.00 0.00 174.94 176.00 1qhp s TYR 360 N 1.44 3.33 0.31 3.97 5.04 -1.26 -0.71 117.35 129.47 1qhp s TYR 360 Ca 0.07 1.26 -0.27 0.00 -2.44 0.00 0.00 57.07 55.69 1qhp s TYR 360 Cb -0.15 -3.54 -0.14 0.00 0.35 0.00 0.00 41.96 38.48 1qhp s TYR 360 CO 0.07 -1.67 0.85 2.48 -1.34 0.00 0.00 175.55 175.95 1qhp n TYR 361 N 2.93 0.67 -0.53 4.97 4.11 0.51 -2.24 117.16 127.57 1qhp n TYR 361 Ca 0.07 0.71 0.00 0.00 -0.00 0.00 0.00 57.90 58.68 1qhp n TYR 361 Cb 0.44 -2.16 0.00 0.00 -0.00 0.00 0.00 39.34 37.62 1qhp n TYR 361 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1qhp n GLY 362 N 1.44 1.69 0.30 -7.48 0.00 -1.26 -4.88 105.19 95.00 1qhp n GLY 362 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1qhp n GLY 362 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1qhp h THR 363 N 0.00 1.01 0.00 2.61 2.02 -1.78 -0.75 112.91 116.01 1qhp h THR 363 Ca 0.00 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 66.88 1qhp h THR 363 Cb 0.00 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.47 1qhp h THR 363 CO 0.00 0.16 0.00 -1.84 0.37 0.00 0.00 175.52 174.21 1qhp n GLU 364 N -4.68 0.09 -0.32 6.66 0.00 -1.26 -1.41 120.64 119.72 1qhp n GLU 364 Ca 0.11 0.14 0.08 0.00 0.00 0.00 0.00 57.16 57.50 1qhp n GLU 364 Cb 0.19 -1.50 0.25 0.00 0.00 0.00 0.00 31.44 30.37 1qhp n GLU 364 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1qhp n GLN 365 N -1.43 2.94 -3.47 3.44 1.13 -0.35 -4.12 117.38 115.53 1qhp n GLN 365 Ca 0.06 -2.43 -0.20 0.00 -1.94 0.00 0.00 57.00 52.49 1qhp n GLN 365 Cb 0.21 -1.49 0.08 0.00 0.11 0.00 0.00 30.24 29.14 1qhp n GLN 365 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1qhp n TYR 366 N 0.94 -2.50 -2.25 1.08 4.01 -0.50 -4.97 117.16 112.96 1qhp n TYR 366 Ca 0.19 0.93 -0.38 0.00 -0.16 0.00 0.00 57.90 58.48 1qhp n TYR 366 Cb 0.59 -4.83 -0.01 0.00 -0.31 0.00 0.00 39.34 34.77 1qhp n TYR 366 CO 0.00 0.00 0.00 -1.64 -0.46 0.00 0.00 176.86 174.76 1qhp s MET 367 N -5.92 3.94 0.38 -0.72 -1.94 -0.86 -5.04 119.30 109.15 1qhp s MET 367 Ca 0.37 1.85 0.05 0.00 -1.71 0.00 0.00 55.69 56.26 1qhp s MET 367 Cb -0.16 -2.60 -0.07 0.00 2.01 0.00 0.00 34.83 34.01 1qhp s MET 367 CO 0.69 -0.42 0.03 0.00 -0.01 0.00 0.00 175.02 175.31 1qhp s ALA 368 N -1.44 2.84 0.00 3.03 0.00 -1.26 -4.59 121.76 120.35 1qhp s ALA 368 Ca 0.59 -2.16 0.00 0.00 0.00 0.00 0.00 51.96 50.39 1qhp s ALA 368 Cb -0.31 0.38 0.00 0.00 0.00 0.00 0.00 23.12 23.19 1qhp s ALA 368 CO 0.38 -0.20 0.00 0.41 0.00 0.00 0.00 175.76 176.35 1qhp n GLY 369 N -0.86 3.92 0.00 0.00 0.00 -1.26 -4.86 105.19 102.13 1qhp n GLY 369 Ca -0.04 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1qhp n GLY 369 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qhp n GLY 370 N -1.06 -1.64 3.77 -0.02 0.00 -1.26 -1.02 105.19 103.98 1qhp n GLY 370 Ca 0.00 -1.45 -0.29 0.00 0.00 0.00 0.00 46.02 44.27 1qhp n GLY 370 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1qhp s ASN 371 N -1.36 3.82 -0.26 1.61 3.84 -1.26 -1.76 114.94 119.57 1qhp s ASN 371 Ca 0.00 1.19 -0.40 0.00 0.21 0.00 0.00 52.86 53.87 1qhp s ASN 371 Cb 0.00 -1.86 -0.18 0.00 -0.55 0.00 0.00 41.25 38.67 1qhp s ASN 371 CO 0.00 -2.38 1.24 -0.67 -2.79 0.00 0.00 177.10 172.50 1qhp n ASP 372 N -3.68 0.62 -0.93 -4.21 2.03 -1.26 -0.98 116.55 108.14 1qhp n ASP 372 Ca 0.07 1.06 0.11 0.00 0.52 0.00 0.00 54.79 56.54 1qhp n ASP 372 Cb 0.57 -0.81 0.27 0.00 -0.72 0.00 0.00 41.12 40.44 1qhp n ASP 372 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1qhp n PRO 373 N 2.64 2.21 0.00 -0.67 -0.04 -1.26 -4.94 135.00 132.94 1qhp n PRO 373 Ca 0.24 -1.83 0.13 0.00 -0.04 0.00 0.00 63.50 62.00 1qhp n PRO 373 Cb -0.00 -1.46 0.69 0.00 -0.04 0.00 0.00 33.50 32.69 1qhp n PRO 373 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1qhp n TYR 374 N 1.04 0.00 0.42 0.54 4.01 -0.15 -1.69 117.16 121.32 1qhp n TYR 374 Ca 0.18 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 58.01 1qhp n TYR 374 Cb 0.49 -0.28 0.25 0.00 -0.31 0.00 0.00 39.34 39.49 1qhp n TYR 374 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 1qhp n ASN 375 N -1.28 2.78 -2.14 7.72 0.23 -0.72 -4.00 115.26 117.84 1qhp n ASN 375 Ca 0.13 -1.96 -0.25 0.00 -0.53 0.00 0.00 54.58 51.96 1qhp n ASN 375 Cb 0.22 -0.31 0.02 0.00 -2.08 0.00 0.00 39.78 37.62 1qhp n ASN 375 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1qhp n ARG 376 N 1.02 3.51 -1.05 -3.83 1.74 -0.68 -4.88 116.66 112.49 1qhp n ARG 376 Ca 0.18 -4.17 -0.29 0.00 -0.77 0.00 0.00 57.85 52.80 1qhp n ARG 376 Cb 0.45 -2.27 0.21 0.00 -1.02 0.00 0.00 32.46 29.83 1qhp n ARG 376 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1qhp s GLY 377 N -3.44 1.56 0.24 -0.13 0.00 -1.26 -4.87 107.32 99.41 1qhp s GLY 377 Ca 0.51 -0.55 -0.30 0.00 0.00 0.00 0.00 44.72 44.39 1qhp s GLY 377 CO -0.01 0.18 1.05 -0.29 0.00 0.00 0.00 173.10 174.03 1qhp s MET 378 N -5.05 4.69 -0.13 2.90 1.75 -1.26 -4.84 119.30 117.35 1qhp s MET 378 Ca 0.67 1.69 -0.36 0.00 -1.25 0.00 0.00 55.69 56.44 1qhp s MET 378 Cb -0.16 -3.24 -0.13 0.00 2.84 0.00 0.00 34.83 34.13 1qhp s MET 378 CO 0.58 0.26 1.81 -0.12 -0.65 0.00 0.00 175.02 176.90 1qhp n MET 379 N 1.64 1.84 0.08 4.11 1.56 -0.00 -4.83 117.12 121.52 1qhp n MET 379 Ca -0.00 0.67 -0.03 0.00 -0.27 0.00 0.00 57.70 58.07 1qhp n MET 379 Cb 0.46 -2.46 -0.07 0.00 2.15 0.00 0.00 33.22 33.30 1qhp n MET 379 CO 0.00 0.00 0.00 -1.00 -0.73 0.00 0.00 175.97 174.24 1qhp h PRO 380 N 8.35 0.00 -2.30 2.12 0.13 -1.91 -3.49 132.00 134.89 1qhp h PRO 380 Ca -0.48 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 64.81 1qhp h PRO 380 Cb 1.29 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.31 1qhp h PRO 380 CO 0.95 0.72 0.49 0.00 -0.23 0.00 0.00 178.00 179.93 1qhp s ALA 381 N -2.81 -1.73 -0.35 -0.56 0.00 -1.26 -5.06 121.76 109.98 1qhp s ALA 381 Ca 0.01 0.47 0.12 0.00 0.00 0.00 0.00 51.96 52.56 1qhp s ALA 381 Cb 0.09 0.55 0.45 0.00 0.00 0.00 0.00 23.12 24.21 1qhp s ALA 381 CO 0.79 -0.91 1.08 1.19 0.00 0.00 0.00 175.76 177.91 1qhp n PHE 382 N -0.39 2.36 -2.53 0.00 3.01 -1.26 -4.95 117.46 113.69 1qhp n PHE 382 Ca -0.07 -2.73 -0.43 0.00 1.01 0.00 0.00 57.45 55.23 1qhp n PHE 382 Cb 0.61 -0.23 -0.02 0.00 -0.01 0.00 0.00 39.48 39.83 1qhp n PHE 382 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1qhp s ASP 383 N -3.47 6.85 0.00 4.37 -1.08 -1.26 -4.91 116.67 117.18 1qhp s ASP 383 Ca 0.40 1.22 0.15 0.00 -0.52 0.00 0.00 52.55 53.80 1qhp s ASP 383 Cb 0.41 -2.54 0.58 0.00 -1.46 0.00 0.00 42.92 39.91 1qhp s ASP 383 CO -0.06 -0.92 1.42 0.35 0.52 0.00 0.00 175.17 176.48 1qhp n THR 384 N 5.89 0.25 0.36 1.71 -2.24 -1.26 -3.89 114.28 115.10 1qhp n THR 384 Ca 0.13 -0.31 0.08 0.00 -2.27 0.00 0.00 64.05 61.67 1qhp n THR 384 Cb 0.47 0.21 0.11 0.00 -2.10 0.00 0.00 70.33 69.01 1qhp n THR 384 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1qhp n THR 385 N 0.18 0.31 -1.74 4.28 -2.24 -1.26 -4.65 114.28 109.16 1qhp n THR 385 Ca 0.13 -0.65 -0.33 0.00 -2.27 0.00 0.00 64.05 60.92 1qhp n THR 385 Cb 0.26 1.06 0.05 0.00 -2.10 0.00 0.00 70.33 69.60 1qhp n THR 385 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1qhp s THR 386 N -1.18 3.17 0.21 4.28 -4.23 -1.25 -4.86 115.64 111.78 1qhp s THR 386 Ca 0.22 0.55 -0.10 0.00 -1.18 0.00 0.00 61.69 61.18 1qhp s THR 386 Cb 0.14 -3.07 0.15 0.00 1.34 0.00 0.00 72.50 71.06 1qhp s THR 386 CO 0.20 -0.33 1.87 0.74 -0.54 0.00 0.00 174.62 176.55 1qhp h THR 387 N 0.02 1.14 -0.81 3.99 2.02 -1.95 -1.68 112.91 115.64 1qhp h THR 387 Ca -0.47 -0.33 -0.04 0.00 0.77 0.00 0.00 66.41 66.35 1qhp h THR 387 Cb 1.25 0.11 -0.04 0.00 -1.74 0.00 0.00 68.15 67.73 1qhp h THR 387 CO 0.54 0.17 0.36 0.00 0.37 0.00 0.00 175.52 176.96 1qhp h ALA 388 N 1.29 1.05 -0.09 6.16 0.00 -1.91 0.30 119.26 126.07 1qhp h ALA 388 Ca 0.28 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1qhp h ALA 388 Cb -0.04 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 1qhp h ALA 388 CO -0.09 0.65 0.01 0.35 0.00 0.00 0.00 179.25 180.17 1qhp h PHE 389 N 1.17 0.01 -0.84 0.00 3.04 -1.58 -0.77 116.94 117.98 1qhp h PHE 389 Ca 0.28 0.01 -0.03 0.00 3.98 0.00 0.00 57.97 62.20 1qhp h PHE 389 Cb 0.16 0.01 -0.04 0.00 2.56 0.00 0.00 35.95 38.64 1qhp h PHE 389 CO 0.02 0.00 0.39 0.87 -2.02 0.00 0.00 178.31 177.57 1qhp h LYS 390 N 0.04 1.21 -0.12 1.11 1.57 -1.04 -1.08 116.57 118.27 1qhp h LYS 390 Ca 0.04 -0.19 -0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1qhp h LYS 390 Cb 0.04 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 1qhp h LYS 390 CO -0.06 0.94 0.06 1.49 -0.57 0.00 0.00 179.45 181.31 1qhp h GLU 391 N 1.20 0.17 -0.47 3.15 4.81 -0.71 -0.95 114.58 121.78 1qhp h GLU 391 Ca 0.29 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.48 1qhp h GLU 391 Cb 0.14 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 1qhp h GLU 391 CO -0.03 0.22 0.23 0.28 -0.73 0.00 0.00 179.01 178.98 1qhp h VAL 392 N 0.07 1.18 -0.26 0.32 2.07 -0.90 -0.47 116.25 118.25 1qhp h VAL 392 Ca 0.04 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 67.06 1qhp h VAL 392 Cb 0.11 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1qhp h VAL 392 CO -0.01 0.20 0.17 -1.28 0.02 0.00 0.00 177.57 176.67 1qhp h SER 393 N 0.61 0.31 0.03 0.57 0.87 -0.73 0.13 113.55 115.34 1qhp h SER 393 Ca 0.16 -0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.69 1qhp h SER 393 Cb 0.10 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 1qhp h SER 393 CO -0.02 0.25 -0.01 0.74 -0.53 0.00 0.00 176.83 177.25 1qhp h THR 394 N 0.34 1.06 0.00 2.23 2.02 -1.02 -2.31 112.91 115.23 1qhp h THR 394 Ca 0.10 -0.26 -0.07 0.00 0.77 0.00 0.00 66.41 66.95 1qhp h THR 394 Cb -0.01 1.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 1qhp h THR 394 CO -0.02 0.07 -0.33 -0.07 0.37 0.00 0.00 175.52 175.54 1qhp h LEU 395 N -0.15 0.00 -0.68 2.58 3.38 -0.99 -2.38 115.31 117.07 1qhp h LEU 395 Ca -0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 1qhp h LEU 395 Cb 0.13 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1qhp h LEU 395 CO 0.01 0.33 -0.02 0.00 0.09 0.00 0.00 178.44 178.85 1qhp h ALA 396 N 1.67 0.89 -0.65 1.53 0.00 -0.64 -1.17 119.26 120.89 1qhp h ALA 396 Ca -0.00 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 1qhp h ALA 396 Cb 0.79 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1qhp h ALA 396 CO 0.04 0.65 0.15 0.78 0.00 0.00 0.00 179.25 180.88 1qhp h GLY 397 N 0.99 1.12 1.01 0.00 0.00 -0.95 -0.98 103.07 104.26 1qhp h GLY 397 Ca 0.16 -0.71 -0.01 0.00 0.00 0.00 0.00 47.33 46.78 1qhp h GLY 397 CO 0.03 0.66 0.43 -2.00 0.00 0.00 0.00 176.54 175.65 1qhp h LEU 398 N 0.96 0.94 -1.02 3.11 5.85 -1.17 -1.32 115.31 122.65 1qhp h LEU 398 Ca 0.20 -0.09 -0.08 0.00 0.84 0.00 0.00 57.88 58.76 1qhp h LEU 398 Cb 0.37 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 1qhp h LEU 398 CO 0.00 0.76 -0.12 -0.09 -0.34 0.00 0.00 178.44 178.65 1qhp h ARG 399 N 1.05 0.56 -0.04 1.25 2.43 -0.77 0.23 114.38 119.08 1qhp h ARG 399 Ca 0.27 -0.17 -0.14 0.00 -0.81 0.00 0.00 59.98 59.13 1qhp h ARG 399 Cb 0.02 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 1qhp h ARG 399 CO -0.04 0.67 -0.63 0.00 -1.51 0.00 0.00 179.97 178.46 1qhp h ARG 400 N 0.51 0.15 0.00 0.20 3.08 -0.70 -3.36 114.38 114.27 1qhp h ARG 400 Ca 0.09 -0.11 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 1qhp h ARG 400 Cb 0.52 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.58 1qhp h ARG 400 CO 0.03 0.73 -2.00 0.09 -1.07 0.00 0.00 179.97 177.75 1qhp n ASN 401 N -3.83 0.12 -4.25 7.04 3.02 -0.54 -4.87 115.26 111.93 1qhp n ASN 401 Ca -0.02 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.18 1qhp n ASN 401 Cb 0.63 1.91 -0.14 0.00 -0.61 0.00 0.00 39.78 41.58 1qhp n ASN 401 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1qhp s ASN 402 N -4.52 4.61 0.62 6.41 3.84 0.77 -4.99 114.94 121.68 1qhp s ASN 402 Ca -0.08 -0.80 0.34 0.00 0.21 0.00 0.00 52.86 52.53 1qhp s ASN 402 Cb 0.13 -1.74 1.98 0.00 -0.55 0.00 0.00 41.25 41.07 1qhp s ASN 402 CO 0.88 -0.15 2.27 0.00 -2.79 0.00 0.00 177.10 177.31 1qhp h ALA 403 N 8.09 1.40 -0.40 1.71 0.00 -1.86 -2.10 119.26 126.10 1qhp h ALA 403 Ca -0.32 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1qhp h ALA 403 Cb 1.12 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 1qhp h ALA 403 CO 0.58 -0.04 0.19 0.00 0.00 0.00 0.00 179.25 179.98 1qhp h ALA 404 N 1.96 1.58 -0.21 0.00 0.00 -1.85 -0.67 119.26 120.06 1qhp h ALA 404 Ca 0.01 -0.09 -0.17 0.00 0.00 0.00 0.00 54.91 54.66 1qhp h ALA 404 Cb 0.07 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1qhp h ALA 404 CO -0.00 0.34 -0.57 0.82 0.00 0.00 0.00 179.25 179.84 1qhp h ILE 405 N 0.56 1.31 -0.13 0.00 1.08 -1.70 -0.11 117.51 118.51 1qhp h ILE 405 Ca 0.14 -1.80 -0.10 0.00 -0.39 0.00 0.00 64.86 62.71 1qhp h ILE 405 Cb 0.07 1.75 0.00 0.00 -3.07 0.00 0.00 36.82 35.57 1qhp h ILE 405 CO -0.02 0.57 -0.33 1.56 -0.69 0.00 0.00 178.15 179.24 1qhp h GLN 406 N 0.51 0.45 0.00 2.37 4.20 -1.53 -3.41 115.11 117.70 1qhp h GLN 406 Ca 0.01 -0.31 0.00 0.00 0.06 0.00 0.00 58.65 58.40 1qhp h GLN 406 Cb 1.14 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.96 1qhp h GLN 406 CO 0.11 0.93 0.00 0.66 -0.67 0.00 0.00 178.83 179.86 1qhp n TYR 407 N -4.37 0.00 -1.17 2.96 4.01 -0.29 -4.79 117.16 113.50 1qhp n TYR 407 Ca -0.07 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.35 1qhp n TYR 407 Cb 0.49 0.00 0.11 0.00 -0.31 0.00 0.00 39.34 39.64 1qhp n TYR 407 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1qhp s GLY 408 N -0.48 1.94 1.08 2.72 0.00 -0.06 -4.89 107.32 107.63 1qhp s GLY 408 Ca 0.00 0.60 -0.14 0.00 0.00 0.00 0.00 44.72 45.19 1qhp s GLY 408 CO 0.00 1.00 1.08 -0.51 0.00 0.00 0.00 173.10 174.67 1qhp s THR 409 N -2.47 1.92 -0.07 0.90 -4.23 -0.34 -4.66 115.64 106.68 1qhp s THR 409 Ca 0.68 0.00 0.01 0.00 -1.18 0.00 0.00 61.69 61.20 1qhp s THR 409 Cb -0.23 -2.42 0.02 0.00 1.34 0.00 0.00 72.50 71.20 1qhp s THR 409 CO 0.52 0.00 -0.09 -0.89 -0.54 0.00 0.00 174.62 173.61 1qhp s THR 410 N -2.89 0.98 -0.06 3.99 2.01 -1.26 -2.47 115.64 115.95 1qhp s THR 410 Ca 0.67 -0.35 0.02 0.00 0.31 0.00 0.00 61.69 62.33 1qhp s THR 410 Cb -0.18 -0.95 0.02 0.00 0.01 0.00 0.00 72.50 71.40 1qhp s THR 410 CO 0.58 0.33 -0.09 -0.89 -0.69 0.00 0.00 174.62 173.87 1qhp s THR 411 N 1.02 0.90 0.10 -0.82 2.01 -0.36 -4.95 115.64 113.53 1qhp s THR 411 Ca -0.08 -0.34 -0.30 0.00 0.31 0.00 0.00 61.69 61.28 1qhp s THR 411 Cb -0.15 -0.85 -0.06 0.00 0.01 0.00 0.00 72.50 71.45 1qhp s THR 411 CO -0.00 0.30 1.13 -1.58 -0.69 0.00 0.00 174.62 173.78 1qhp s GLN 412 N 0.77 4.51 -0.01 4.92 -0.44 -1.26 -0.45 119.66 127.70 1qhp s GLN 412 Ca -0.13 1.71 0.03 0.00 -2.50 0.00 0.00 55.36 54.46 1qhp s GLN 412 Cb -0.15 -3.33 -0.04 0.00 -1.64 0.00 0.00 33.01 27.85 1qhp s GLN 412 CO 0.02 -0.11 0.05 0.54 0.50 0.00 0.00 175.29 176.29 1qhp n ARG 413 N 3.33 0.69 -3.64 1.67 5.12 0.18 -4.94 116.66 119.07 1qhp n ARG 413 Ca 0.06 -0.02 -0.08 0.00 -1.93 0.00 0.00 57.85 55.89 1qhp n ARG 413 Cb 0.47 -1.06 -0.07 0.00 -1.16 0.00 0.00 32.46 30.64 1qhp n ARG 413 CO 0.00 0.00 0.00 -0.46 -1.93 0.00 0.00 177.63 175.24 1qhp s TRP 414 N -2.16 -0.79 -0.14 -1.55 -0.00 -0.97 -4.54 118.94 108.79 1qhp s TRP 414 Ca -0.01 1.69 -0.21 0.00 -0.00 0.00 0.00 56.10 57.57 1qhp s TRP 414 Cb 0.01 0.45 0.05 0.00 -0.00 0.00 0.00 33.47 33.98 1qhp s TRP 414 CO 0.11 -0.39 0.53 -1.50 -0.00 0.00 0.00 176.95 175.70 1qhp s ILE 415 N 1.09 0.01 0.00 5.86 2.07 -1.26 -0.61 121.20 128.36 1qhp s ILE 415 Ca -0.06 -0.08 0.00 0.00 -1.41 0.00 0.00 60.65 59.10 1qhp s ILE 415 Cb -0.05 -0.78 0.00 0.00 0.13 0.00 0.00 42.46 41.76 1qhp s ILE 415 CO -0.12 -0.05 0.00 -0.46 -1.91 0.00 0.00 174.94 172.40 1qhp n ASN 416 N 2.15 0.00 0.10 4.50 0.23 -0.84 -4.98 115.26 116.42 1qhp n ASN 416 Ca -0.16 -0.73 0.03 0.00 -0.53 0.00 0.00 54.58 53.19 1qhp n ASN 416 Cb 0.56 0.00 0.41 0.00 -2.08 0.00 0.00 39.78 38.67 1qhp n ASN 416 CO 0.00 0.00 0.00 0.78 -0.93 0.00 0.00 177.26 177.11 1qhp h ASN 417 N 0.00 0.27 0.00 0.53 4.21 -1.97 -3.26 115.58 115.36 1qhp h ASN 417 Ca 0.00 -0.04 -0.06 0.00 1.21 0.00 0.00 56.30 57.41 1qhp h ASN 417 Cb 0.00 -0.07 -0.01 0.00 -1.12 0.00 0.00 38.32 37.12 1qhp h ASN 417 CO 0.00 0.36 -1.79 0.47 -1.29 0.00 0.00 177.43 175.18 1qhp n ASP 418 N -4.33 1.39 -4.42 5.81 8.00 -1.26 -1.37 116.55 120.37 1qhp n ASP 418 Ca -0.00 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.17 1qhp n ASP 418 Cb 0.21 1.52 -0.14 0.00 -0.02 0.00 0.00 41.12 42.70 1qhp n ASP 418 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1qhp s VAL 419 N -2.92 2.97 -0.18 2.53 1.01 -1.23 -0.89 120.40 121.68 1qhp s VAL 419 Ca -0.06 -0.73 -0.02 0.00 0.00 0.00 0.00 61.98 61.17 1qhp s VAL 419 Cb 0.09 -2.19 0.05 0.00 0.00 0.00 0.00 36.38 34.33 1qhp s VAL 419 CO 0.64 0.56 0.00 -0.47 0.00 0.00 0.00 175.10 175.84 1qhp s TYR 420 N -0.26 1.28 -0.26 5.22 5.04 -0.24 -1.99 117.35 126.14 1qhp s TYR 420 Ca 0.01 -0.92 -0.03 0.00 -2.44 0.00 0.00 57.07 53.69 1qhp s TYR 420 Cb -0.13 -1.12 0.02 0.00 0.35 0.00 0.00 41.96 41.08 1qhp s TYR 420 CO 0.03 -0.59 -0.02 0.42 -1.34 0.00 0.00 175.55 174.05 1qhp s ILE 421 N 1.77 3.24 0.23 3.14 1.01 0.22 -1.09 121.20 129.72 1qhp s ILE 421 Ca -0.00 -0.90 0.06 0.00 0.00 0.00 0.00 60.65 59.81 1qhp s ILE 421 Cb -0.16 -2.65 -0.05 0.00 0.01 0.00 0.00 42.46 39.61 1qhp s ILE 421 CO -0.07 0.17 -0.09 -0.72 0.00 0.00 0.00 174.94 174.22 1qhp s TYR 422 N 1.38 1.74 -0.05 3.97 1.13 -0.24 -0.65 117.35 124.62 1qhp s TYR 422 Ca 0.01 -0.68 0.03 0.00 -1.41 0.00 0.00 57.07 55.01 1qhp s TYR 422 Cb -0.17 -0.91 0.01 0.00 -1.10 0.00 0.00 41.96 39.79 1qhp s TYR 422 CO -0.02 0.25 -0.12 -2.00 -2.51 0.00 0.00 175.55 171.14 1qhp s GLU 423 N -3.71 1.58 -0.11 -3.49 2.12 0.40 -0.59 118.70 114.90 1qhp s GLU 423 Ca 0.25 -0.43 -0.08 0.00 0.36 0.00 0.00 54.97 55.07 1qhp s GLU 423 Cb 0.02 -1.34 -0.04 0.00 0.26 0.00 0.00 34.13 33.03 1qhp s GLU 423 CO 0.08 0.08 0.18 1.03 -0.54 0.00 0.00 175.26 176.09 1qhp s ARG 424 N 0.48 3.58 -0.10 4.30 1.81 0.28 -1.23 118.95 128.08 1qhp s ARG 424 Ca -0.11 -0.06 -0.05 0.00 -1.72 0.00 0.00 55.73 53.80 1qhp s ARG 424 Cb -0.14 -3.22 0.05 0.00 -0.45 0.00 0.00 34.95 31.19 1qhp s ARG 424 CO 0.03 0.72 0.23 0.21 -0.68 0.00 0.00 175.30 175.81 1qhp s LYS 425 N -0.90 0.18 -0.32 3.54 2.20 -1.03 -1.26 119.74 122.16 1qhp s LYS 425 Ca 0.16 0.51 -0.00 0.00 -0.36 0.00 0.00 55.97 56.27 1qhp s LYS 425 Cb -0.13 -0.13 0.10 0.00 -1.51 0.00 0.00 37.83 36.16 1qhp s LYS 425 CO 0.05 -0.17 0.10 0.12 -0.36 0.00 0.00 175.35 175.09 1qhp s PHE 426 N 1.28 1.96 0.00 4.03 5.36 -0.44 -1.20 117.98 128.97 1qhp s PHE 426 Ca -0.09 -1.91 0.00 0.00 -0.96 0.00 0.00 56.93 53.97 1qhp s PHE 426 Cb -0.11 -1.86 0.00 0.00 -0.34 0.00 0.00 43.02 40.71 1qhp s PHE 426 CO -0.08 -0.88 0.00 1.19 -1.46 0.00 0.00 175.22 173.99 1qhp n PHE 427 N 4.73 0.00 1.10 10.12 3.72 -1.26 -1.21 117.46 134.66 1qhp n PHE 427 Ca -0.01 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.52 1qhp n PHE 427 Cb 0.42 0.00 0.47 0.00 -0.94 0.00 0.00 39.48 39.43 1qhp n PHE 427 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1qhp n ASN 428 N 7.23 0.33 -4.73 4.37 3.02 -1.26 -4.84 115.26 119.37 1qhp n ASN 428 Ca 0.00 -0.07 -0.40 0.00 -0.03 0.00 0.00 54.58 54.08 1qhp n ASN 428 Cb 0.00 -0.10 -0.05 0.00 -0.61 0.00 0.00 39.78 39.02 1qhp n ASN 428 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1qhp s ASP 429 N -2.86 7.08 -0.01 6.41 1.01 -0.35 -4.73 116.67 123.22 1qhp s ASP 429 Ca 0.17 1.29 0.01 0.00 0.71 0.00 0.00 52.55 54.73 1qhp s ASP 429 Cb 0.19 -2.44 0.01 0.00 1.01 0.00 0.00 42.92 41.69 1qhp s ASP 429 CO 0.58 -0.07 -0.02 -0.69 0.21 0.00 0.00 175.17 175.18 1qhp s VAL 430 N 0.49 0.20 -0.08 -1.27 1.01 -0.56 -1.32 120.40 118.86 1qhp s VAL 430 Ca 0.38 -0.06 -0.00 0.00 0.00 0.00 0.00 61.98 62.30 1qhp s VAL 430 Cb -0.19 -0.21 0.02 0.00 0.00 0.00 0.00 36.38 36.01 1qhp s VAL 430 CO 0.20 0.08 -0.05 -0.69 0.00 0.00 0.00 175.10 174.65 1qhp s VAL 431 N 0.22 0.72 -0.21 2.92 1.01 -0.39 -0.83 120.40 123.84 1qhp s VAL 431 Ca -0.02 -0.12 -0.06 0.00 0.00 0.00 0.00 61.98 61.78 1qhp s VAL 431 Cb -0.04 -0.78 -0.02 0.00 0.00 0.00 0.00 36.38 35.53 1qhp s VAL 431 CO -0.01 0.31 0.01 -0.22 0.00 0.00 0.00 175.10 175.19 1qhp s LEU 432 N 1.61 3.29 -0.12 3.92 2.96 0.63 -0.55 118.68 130.42 1qhp s LEU 432 Ca 0.01 -0.20 0.02 0.00 -0.22 0.00 0.00 54.13 53.74 1qhp s LEU 432 Cb -0.13 -1.85 -0.00 0.00 0.50 0.00 0.00 46.19 44.71 1qhp s LEU 432 CO -0.05 0.04 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.13 1qhp s VAL 433 N 1.14 2.33 -0.15 1.68 1.01 0.24 -1.03 120.40 125.62 1qhp s VAL 433 Ca 0.03 -0.91 -0.00 0.00 0.00 0.00 0.00 61.98 61.10 1qhp s VAL 433 Cb -0.14 -1.93 -0.01 0.00 0.00 0.00 0.00 36.38 34.30 1qhp s VAL 433 CO 0.02 0.54 -0.14 0.00 0.00 0.00 0.00 175.10 175.52 1qhp s ALA 434 N 0.50 2.54 -0.10 5.51 0.00 -0.01 -1.08 121.76 129.13 1qhp s ALA 434 Ca -0.13 -1.00 0.01 0.00 0.00 0.00 0.00 51.96 50.84 1qhp s ALA 434 Cb -0.17 -1.24 0.02 0.00 0.00 0.00 0.00 23.12 21.73 1qhp s ALA 434 CO 0.05 0.04 -0.13 0.42 0.00 0.00 0.00 175.76 176.14 1qhp s ILE 435 N 0.70 1.32 -0.31 0.00 1.01 -0.25 -0.96 121.20 122.72 1qhp s ILE 435 Ca -0.07 -0.53 -0.03 0.00 0.00 0.00 0.00 60.65 60.02 1qhp s ILE 435 Cb -0.15 -1.23 0.05 0.00 0.01 0.00 0.00 42.46 41.13 1qhp s ILE 435 CO 0.02 0.41 0.02 0.21 0.00 0.00 0.00 174.94 175.59 1qhp s ASN 436 N 1.07 4.95 0.46 3.58 2.47 0.07 -1.08 114.94 126.46 1qhp s ASN 436 Ca -0.06 -1.23 0.27 0.00 0.42 0.00 0.00 52.86 52.26 1qhp s ASN 436 Cb -0.15 -1.74 0.71 0.00 -1.45 0.00 0.00 41.25 38.62 1qhp s ASN 436 CO -0.02 -0.27 1.74 0.08 -3.72 0.00 0.00 177.10 174.91 1qhp h ARG 437 N 8.04 0.00 -6.47 0.43 0.11 -1.31 -3.12 114.38 112.05 1qhp h ARG 437 Ca -0.22 0.00 -0.57 0.00 0.10 0.00 0.00 59.98 59.29 1qhp h ARG 437 Cb 1.07 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 32.09 1qhp h ARG 437 CO 0.55 0.00 1.01 1.21 0.10 0.00 0.00 179.97 182.83 1qhp s ASN 438 N -5.91 6.52 0.00 0.08 3.84 -1.26 -4.70 114.94 113.51 1qhp s ASN 438 Ca 0.05 0.96 0.30 0.00 0.21 0.00 0.00 52.86 54.38 1qhp s ASN 438 Cb 0.07 -2.54 1.54 0.00 -0.55 0.00 0.00 41.25 39.76 1qhp s ASN 438 CO 0.62 -1.25 2.04 0.35 -2.79 0.00 0.00 177.10 176.07 1qhp n THR 439 N 6.66 0.03 0.24 -5.21 -2.24 -1.26 -0.57 114.28 111.92 1qhp n THR 439 Ca 0.15 0.01 0.03 0.00 -2.27 0.00 0.00 64.05 61.97 1qhp n THR 439 Cb 0.47 -0.52 -0.00 0.00 -2.10 0.00 0.00 70.33 68.18 1qhp n THR 439 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qhp n GLN 440 N -1.24 2.58 -4.83 -0.78 1.13 -1.26 -4.52 117.38 108.46 1qhp n GLN 440 Ca 0.15 -0.42 -0.26 0.00 -1.94 0.00 0.00 57.00 54.54 1qhp n GLN 440 Cb 0.22 -0.92 -0.16 0.00 0.11 0.00 0.00 30.24 29.48 1qhp n GLN 440 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 1qhp s SER 441 N -0.98 2.11 0.33 1.08 0.01 -1.21 -5.00 113.70 110.04 1qhp s SER 441 Ca 0.04 -0.34 0.00 0.00 1.31 0.00 0.00 55.95 56.97 1qhp s SER 441 Cb 0.04 -0.47 -0.03 0.00 0.21 0.00 0.00 66.02 65.77 1qhp s SER 441 CO 0.14 0.17 0.53 -0.44 0.41 0.00 0.00 173.24 174.06 1qhp s SER 442 N -0.11 6.31 -0.02 2.44 0.01 -1.26 -3.92 113.70 117.15 1qhp s SER 442 Ca -0.00 0.46 0.04 0.00 1.31 0.00 0.00 55.95 57.75 1qhp s SER 442 Cb -0.10 -2.04 -0.00 0.00 0.21 0.00 0.00 66.02 64.09 1qhp s SER 442 CO 0.01 -0.27 -0.13 -0.31 0.41 0.00 0.00 173.24 172.95 1qhp s TYR 443 N -2.26 1.26 -0.11 2.43 2.02 -0.45 -4.97 117.35 115.27 1qhp s TYR 443 Ca 0.40 -0.30 -0.30 0.00 -0.37 0.00 0.00 57.07 56.50 1qhp s TYR 443 Cb -0.10 -0.85 -0.02 0.00 -0.40 0.00 0.00 41.96 40.60 1qhp s TYR 443 CO 0.35 -0.09 1.09 -1.12 -1.57 0.00 0.00 175.55 174.22 1qhp s SER 444 N -0.05 7.14 -0.39 2.29 0.01 -1.26 -0.35 113.70 121.10 1qhp s SER 444 Ca 0.00 1.62 -0.08 0.00 1.31 0.00 0.00 55.95 58.80 1qhp s SER 444 Cb -0.08 -2.55 0.06 0.00 0.21 0.00 0.00 66.02 63.66 1qhp s SER 444 CO 0.01 -0.54 0.20 -0.63 0.41 0.00 0.00 173.24 172.69 1qhp s ILE 445 N 2.32 4.09 0.20 1.44 -1.09 0.11 -4.96 121.20 123.31 1qhp s ILE 445 Ca 0.51 -1.28 0.10 0.00 -2.23 0.00 0.00 60.65 57.75 1qhp s ILE 445 Cb -0.20 -3.43 -0.04 0.00 -1.58 0.00 0.00 42.46 37.20 1qhp s ILE 445 CO 0.18 -0.38 -0.21 -0.94 -1.23 0.00 0.00 174.94 172.36 1qhp s SER 446 N 1.80 3.15 -0.07 3.58 1.04 -1.26 -2.41 113.70 119.53 1qhp s SER 446 Ca 0.02 -0.89 0.00 0.00 0.48 0.00 0.00 55.95 55.55 1qhp s SER 446 Cb -0.21 -0.22 0.00 0.00 0.10 0.00 0.00 66.02 65.68 1qhp s SER 446 CO 0.03 0.04 0.00 0.61 0.98 0.00 0.00 173.24 174.90 1qhp n GLY 447 N 0.12 0.48 3.71 7.32 0.00 -1.26 -5.01 105.19 110.54 1qhp n GLY 447 Ca -0.11 -0.49 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 1qhp n GLY 447 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1qhp s LEU 448 N -0.15 4.35 0.19 0.99 2.96 -1.26 -5.00 118.68 120.76 1qhp s LEU 448 Ca 0.00 1.70 0.08 0.00 -0.22 0.00 0.00 54.13 55.69 1qhp s LEU 448 Cb 0.00 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 43.08 1qhp s LEU 448 CO 0.00 -0.32 -0.06 -1.10 -1.32 0.00 0.00 176.35 173.55 1qhp s GLN 449 N 1.19 2.19 0.17 1.98 -1.52 -1.26 -1.11 119.66 121.29 1qhp s GLN 449 Ca 0.53 -1.24 -0.15 0.00 -1.95 0.00 0.00 55.36 52.54 1qhp s GLN 449 Cb -0.22 -2.22 0.02 0.00 -0.22 0.00 0.00 33.01 30.38 1qhp s GLN 449 CO 0.27 0.43 0.44 -0.08 -0.25 0.00 0.00 175.29 176.10 1qhp s THR 450 N -1.80 0.05 -2.88 -0.19 -1.32 -0.09 -4.90 115.64 104.50 1qhp s THR 450 Ca 0.27 -0.85 0.24 0.00 -1.21 0.00 0.00 61.69 60.14 1qhp s THR 450 Cb -0.09 -1.52 0.26 0.00 -1.51 0.00 0.00 72.50 69.64 1qhp s THR 450 CO 0.17 -0.21 1.34 0.00 -2.21 0.00 0.00 174.62 173.71 1qhp n ALA 451 N -0.28 2.47 -1.77 11.08 0.00 -1.26 -4.39 120.51 126.35 1qhp n ALA 451 Ca -0.11 -0.69 -0.41 0.00 0.00 0.00 0.00 53.44 52.24 1qhp n ALA 451 Cb 0.63 -0.87 -0.01 0.00 0.00 0.00 0.00 19.45 19.20 1qhp n ALA 451 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1qhp s LEU 452 N -1.95 4.34 0.86 0.00 1.43 -1.26 -4.98 118.68 117.11 1qhp s LEU 452 Ca 0.30 2.87 -0.11 0.00 -1.03 0.00 0.00 54.13 56.16 1qhp s LEU 452 Cb 0.20 -3.70 0.11 0.00 0.03 0.00 0.00 46.19 42.83 1qhp s LEU 452 CO 0.31 -0.76 1.15 -2.84 0.23 0.00 0.00 176.35 174.43 1qhp s PRO 453 N -2.02 1.43 0.45 1.29 0.02 -1.26 -4.57 135.00 130.33 1qhp s PRO 453 Ca 0.52 1.53 -0.24 0.00 0.02 0.00 0.00 61.00 62.84 1qhp s PRO 453 Cb -0.43 -1.77 -0.09 0.00 0.02 0.00 0.00 34.50 32.22 1qhp s PRO 453 CO 0.57 -2.32 1.12 0.09 -0.33 0.00 0.00 177.00 176.14 1qhp n ASN 454 N -3.83 1.78 0.00 2.53 3.02 -1.26 -4.84 115.26 112.67 1qhp n ASN 454 Ca 0.12 1.04 0.00 0.00 -0.03 0.00 0.00 54.58 55.70 1qhp n ASN 454 Cb 0.52 -1.43 0.00 0.00 -0.61 0.00 0.00 39.78 38.26 1qhp n ASN 454 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qhp n GLY 455 N 1.03 0.36 3.71 7.41 0.00 -0.79 -4.99 105.19 111.92 1qhp n GLY 455 Ca 0.09 -1.73 -0.35 0.00 0.00 0.00 0.00 46.02 44.02 1qhp n GLY 455 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qhp s SER 456 N 0.00 5.87 -0.13 1.61 0.01 -1.26 -0.43 113.70 119.36 1qhp s SER 456 Ca 0.00 0.20 0.02 0.00 1.31 0.00 0.00 55.95 57.49 1qhp s SER 456 Cb 0.00 -1.95 0.01 0.00 0.21 0.00 0.00 66.02 64.29 1qhp s SER 456 CO 0.00 0.25 -0.20 -0.31 0.41 0.00 0.00 173.24 173.39 1qhp s TYR 457 N -0.08 2.48 0.45 2.43 1.51 0.02 -5.00 117.35 119.17 1qhp s TYR 457 Ca 0.08 -1.24 -0.13 0.00 -1.01 0.00 0.00 57.07 54.76 1qhp s TYR 457 Cb -0.12 -1.71 -0.07 0.00 -0.11 0.00 0.00 41.96 39.95 1qhp s TYR 457 CO 0.01 -0.58 0.86 0.00 -1.11 0.00 0.00 175.55 174.73 1qhp s ALA 458 N 0.89 3.23 0.18 3.71 0.00 -1.26 -1.16 121.76 127.34 1qhp s ALA 458 Ca -0.06 -0.05 -0.32 0.00 0.00 0.00 0.00 51.96 51.53 1qhp s ALA 458 Cb -0.15 -2.88 -0.11 0.00 0.00 0.00 0.00 23.12 19.98 1qhp s ALA 458 CO -0.02 -0.12 1.63 0.34 0.00 0.00 0.00 175.76 177.58 1qhp s ASP 459 N -3.15 6.51 0.54 0.00 2.15 -1.24 -4.72 116.67 116.76 1qhp s ASP 459 Ca 0.54 2.70 0.28 0.00 0.43 0.00 0.00 52.55 56.51 1qhp s ASP 459 Cb -0.10 -2.59 1.56 0.00 -0.30 0.00 0.00 42.92 41.48 1qhp s ASP 459 CO 0.32 -0.88 2.12 0.22 -0.17 0.00 0.00 175.17 176.78 1qhp h TYR 460 N 6.85 0.00 -0.04 -5.34 3.20 -0.81 -1.26 116.97 119.56 1qhp h TYR 460 Ca -0.43 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.44 1qhp h TYR 460 Cb 1.20 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.47 1qhp h TYR 460 CO 0.65 0.09 0.00 1.28 -1.64 0.00 0.00 178.16 178.54 1qhp n LEU 461 N -3.68 0.81 -3.25 2.82 4.77 -1.26 -4.94 117.00 112.27 1qhp n LEU 461 Ca -0.02 -0.30 -0.23 0.00 -0.03 0.00 0.00 56.01 55.42 1qhp n LEU 461 Cb 0.20 -0.03 0.01 0.00 -2.33 0.00 0.00 43.42 41.27 1qhp n LEU 461 CO 0.29 0.15 -0.02 -1.20 -1.33 0.00 0.00 177.39 175.29 1qhp n SER 462 N -0.31 -4.69 -0.03 -1.43 7.64 -0.48 -1.25 113.62 113.07 1qhp n SER 462 Ca 0.18 -0.36 -0.00 0.00 1.01 0.00 0.00 58.87 59.70 1qhp n SER 462 Cb 0.22 -3.83 -0.00 0.00 -1.01 0.00 0.00 64.21 59.59 1qhp n SER 462 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1qhp n GLY 463 N -1.33 0.42 0.31 0.23 0.00 -1.26 -4.92 105.19 98.64 1qhp n GLY 463 Ca -0.05 -0.07 0.04 0.00 0.00 0.00 0.00 46.02 45.94 1qhp n GLY 463 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1qhp h LEU 464 N 0.00 0.70 -3.57 0.99 5.85 -1.52 -1.64 115.31 116.12 1qhp h LEU 464 Ca -0.01 0.05 -0.27 0.00 0.84 0.00 0.00 57.88 58.49 1qhp h LEU 464 Cb 0.23 -0.09 -0.16 0.00 0.37 0.00 0.00 40.66 41.02 1qhp h LEU 464 CO 0.01 0.39 0.17 0.18 -0.34 0.00 0.00 178.44 178.86 1qhp n LEU 465 N -4.73 5.06 0.00 2.25 4.77 -1.26 -4.92 117.00 118.16 1qhp n LEU 465 Ca 0.14 -3.62 0.00 0.00 -0.03 0.00 0.00 56.01 52.51 1qhp n LEU 465 Cb 0.29 -0.70 0.00 0.00 -2.33 0.00 0.00 43.42 40.68 1qhp n LEU 465 CO 0.27 1.11 0.00 0.61 -1.33 0.00 0.00 177.39 178.05 1qhp n GLY 466 N -1.00 0.46 3.74 -0.72 0.00 -0.62 -1.55 105.19 105.51 1qhp n GLY 466 Ca 0.41 -0.60 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 1qhp n GLY 466 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1qhp s GLY 467 N -2.54 1.62 0.28 -0.02 0.00 -1.19 -4.49 107.32 100.97 1qhp s GLY 467 Ca 0.00 -0.11 0.02 0.00 0.00 0.00 0.00 44.72 44.63 1qhp s GLY 467 CO 0.00 0.36 0.14 0.54 0.00 0.00 0.00 173.10 174.14 1qhp s ASN 468 N -3.56 1.24 0.39 1.64 4.22 -1.26 -4.40 114.94 113.20 1qhp s ASN 468 Ca 0.63 -1.48 -0.04 0.00 -2.14 0.00 0.00 52.86 49.83 1qhp s ASN 468 Cb -0.17 0.32 -0.04 0.00 1.28 0.00 0.00 41.25 42.64 1qhp s ASN 468 CO 0.56 -0.83 0.66 -0.83 -2.04 0.00 0.00 177.10 174.62 1qhp s GLY 469 N -3.33 1.56 0.18 0.45 0.00 -1.26 -3.72 107.32 101.20 1qhp s GLY 469 Ca 0.37 -0.62 0.04 0.00 0.00 0.00 0.00 44.72 44.51 1qhp s GLY 469 CO 0.16 -0.49 -0.05 -0.26 0.00 0.00 0.00 173.10 172.45 1qhp s ILE 470 N -2.44 1.08 -0.12 0.90 -4.36 -0.31 -4.98 121.20 110.97 1qhp s ILE 470 Ca 0.45 -2.05 0.02 0.00 -0.26 0.00 0.00 60.65 58.81 1qhp s ILE 470 Cb -0.10 -2.07 0.01 0.00 1.25 0.00 0.00 42.46 41.55 1qhp s ILE 470 CO 0.38 -0.56 -0.18 -0.55 0.24 0.00 0.00 174.94 174.28 1qhp s SER 471 N -3.22 2.71 -0.13 4.36 0.15 -1.26 -0.80 113.70 115.51 1qhp s SER 471 Ca 0.22 -0.50 -0.01 0.00 0.70 0.00 0.00 55.95 56.36 1qhp s SER 471 Cb 0.04 -1.23 -0.02 0.00 -1.71 0.00 0.00 66.02 63.10 1qhp s SER 471 CO 0.04 0.04 -0.09 -0.69 1.20 0.00 0.00 173.24 173.74 1qhp s VAL 472 N 0.95 3.43 -0.06 4.45 1.01 0.43 -1.20 120.40 129.41 1qhp s VAL 472 Ca -0.06 -0.53 -0.02 0.00 0.00 0.00 0.00 61.98 61.36 1qhp s VAL 472 Cb -0.15 -2.46 0.03 0.00 0.00 0.00 0.00 36.38 33.81 1qhp s VAL 472 CO -0.02 0.53 0.06 -0.55 0.00 0.00 0.00 175.10 175.11 1qhp s SER 473 N 0.16 1.31 -1.46 3.32 0.15 0.15 -1.89 113.70 115.44 1qhp s SER 473 Ca -0.05 -0.01 -0.01 0.00 0.70 0.00 0.00 55.95 56.58 1qhp s SER 473 Cb -0.14 -0.16 0.01 0.00 -1.71 0.00 0.00 66.02 64.01 1qhp s SER 473 CO 0.04 -0.26 0.31 0.59 1.20 0.00 0.00 173.24 175.12 1qhp n ASN 474 N 5.29 -0.05 0.00 5.45 3.02 -1.26 -1.26 115.26 126.46 1qhp n ASN 474 Ca -0.04 -1.08 0.00 0.00 -0.03 0.00 0.00 54.58 53.43 1qhp n ASN 474 Cb 0.50 -2.63 0.00 0.00 -0.61 0.00 0.00 39.78 37.04 1qhp n ASN 474 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qhp n GLY 475 N -2.13 0.83 3.35 7.41 0.00 -1.26 -5.02 105.19 108.37 1qhp n GLY 475 Ca -0.30 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.39 1qhp n GLY 475 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1qhp s SER 476 N -2.68 3.75 -0.21 1.61 0.15 -0.39 -0.92 113.70 115.01 1qhp s SER 476 Ca 0.00 -0.36 -0.16 0.00 0.70 0.00 0.00 55.95 56.13 1qhp s SER 476 Cb 0.00 -1.33 -0.04 0.00 -1.71 0.00 0.00 66.02 62.94 1qhp s SER 476 CO 0.00 0.21 0.41 -0.69 1.20 0.00 0.00 173.24 174.37 1qhp s VAL 477 N 0.07 5.18 0.48 4.45 1.01 -0.27 -0.68 120.40 130.66 1qhp s VAL 477 Ca -0.07 0.71 -0.24 0.00 0.00 0.00 0.00 61.98 62.38 1qhp s VAL 477 Cb -0.15 -3.73 -0.07 0.00 0.00 0.00 0.00 36.38 32.42 1qhp s VAL 477 CO 0.05 0.23 1.32 0.00 0.00 0.00 0.00 175.10 176.70 1qhp n ALA 478 N 4.65 1.50 -1.67 5.51 0.00 -0.34 -4.44 120.51 125.73 1qhp n ALA 478 Ca -0.08 0.19 -0.43 0.00 0.00 0.00 0.00 53.44 53.12 1qhp n ALA 478 Cb 0.51 -2.32 -0.01 0.00 0.00 0.00 0.00 19.45 17.63 1qhp n ALA 478 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1qhp n SER 479 N -0.37 2.46 -3.95 0.00 7.64 -1.26 -4.77 113.62 113.38 1qhp n SER 479 Ca 0.08 1.19 -0.10 0.00 1.01 0.00 0.00 58.87 61.05 1qhp n SER 479 Cb 0.42 -1.43 -0.06 0.00 -1.01 0.00 0.00 64.21 62.13 1qhp n SER 479 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1qhp s PHE 480 N -0.87 0.35 -0.22 1.43 -0.71 -1.01 -5.00 117.98 111.95 1qhp s PHE 480 Ca 0.59 -0.70 -0.10 0.00 -1.04 0.00 0.00 56.93 55.68 1qhp s PHE 480 Cb -0.61 0.05 -0.05 0.00 -1.21 0.00 0.00 43.02 41.20 1qhp s PHE 480 CO 0.59 -0.82 0.14 0.99 -1.34 0.00 0.00 175.22 174.78 1qhp s THR 481 N -3.98 5.32 -0.32 -4.49 2.01 -1.26 0.09 115.64 113.01 1qhp s THR 481 Ca 0.18 0.16 -0.17 0.00 0.31 0.00 0.00 61.69 62.18 1qhp s THR 481 Cb 0.02 -3.45 -0.02 0.00 0.01 0.00 0.00 72.50 69.06 1qhp s THR 481 CO 0.03 0.39 0.46 -0.22 -0.69 0.00 0.00 174.62 174.59 1qhp s LEU 482 N 0.72 4.24 0.94 4.42 2.96 0.53 -4.94 118.68 127.55 1qhp s LEU 482 Ca 0.07 0.10 -0.11 0.00 -0.22 0.00 0.00 54.13 53.97 1qhp s LEU 482 Cb -0.12 -2.52 0.15 0.00 0.50 0.00 0.00 46.19 44.20 1qhp s LEU 482 CO 0.01 -0.36 1.09 0.00 -1.32 0.00 0.00 176.35 175.78 1qhp s ALA 483 N 2.24 1.23 0.12 5.97 0.00 -1.26 -1.34 121.76 128.71 1qhp s ALA 483 Ca 0.17 0.12 -0.32 0.00 0.00 0.00 0.00 51.96 51.94 1qhp s ALA 483 Cb -0.16 -3.28 -0.11 0.00 0.00 0.00 0.00 23.12 19.57 1qhp s ALA 483 CO 0.12 -2.67 1.80 -2.30 0.00 0.00 0.00 175.76 172.71 1qhp n PRO 484 N -4.13 2.67 -1.12 0.00 -0.02 -1.25 -1.82 135.00 129.32 1qhp n PRO 484 Ca 0.08 0.97 -0.04 0.00 -2.02 0.00 0.00 63.50 62.48 1qhp n PRO 484 Cb 0.54 -2.84 -0.02 0.00 -0.02 0.00 0.00 33.50 31.16 1qhp n PRO 484 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qhp n GLY 485 N 4.13 0.59 3.86 -1.23 0.00 0.27 -4.84 105.19 107.97 1qhp n GLY 485 Ca 0.18 -0.16 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 1qhp n GLY 485 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qhp s ALA 486 N -1.78 3.14 -0.10 4.61 0.00 -0.76 -4.71 121.76 122.16 1qhp s ALA 486 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 51.96 51.98 1qhp s ALA 486 Cb 0.00 -3.02 0.01 0.00 0.00 0.00 0.00 23.12 20.12 1qhp s ALA 486 CO 0.00 -0.35 -0.16 0.08 0.00 0.00 0.00 175.76 175.33 1qhp s VAL 487 N -2.77 1.50 -0.01 0.00 1.01 -0.60 -0.75 120.40 118.78 1qhp s VAL 487 Ca 0.56 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.90 1qhp s VAL 487 Cb -0.10 -1.36 0.00 0.00 0.00 0.00 0.00 36.38 34.92 1qhp s VAL 487 CO 0.39 0.44 -0.06 -0.55 0.00 0.00 0.00 175.10 175.32 1qhp s SER 488 N 0.86 0.75 -0.06 3.32 0.15 -0.13 -3.19 113.70 115.40 1qhp s SER 488 Ca -0.09 -0.11 0.01 0.00 0.70 0.00 0.00 55.95 56.45 1qhp s SER 488 Cb -0.15 -0.14 0.02 0.00 -1.71 0.00 0.00 66.02 64.04 1qhp s SER 488 CO 0.01 0.05 -0.05 -0.69 1.20 0.00 0.00 173.24 173.75 1qhp s VAL 489 N 0.04 0.67 -0.11 4.45 1.01 -1.26 -0.83 120.40 124.37 1qhp s VAL 489 Ca -0.00 -0.16 0.03 0.00 0.00 0.00 0.00 61.98 61.84 1qhp s VAL 489 Cb -0.05 -0.70 0.01 0.00 0.00 0.00 0.00 36.38 35.64 1qhp s VAL 489 CO -0.00 0.27 -0.19 0.26 0.00 0.00 0.00 175.10 175.44 1qhp s TRP 490 N 1.16 2.28 0.06 5.22 0.51 -0.20 -0.03 118.94 127.95 1qhp s TRP 490 Ca -0.07 -1.04 0.02 0.00 -2.12 0.00 0.00 56.10 52.89 1qhp s TRP 490 Cb -0.14 -1.58 -0.03 0.00 -0.81 0.00 0.00 33.47 30.91 1qhp s TRP 490 CO -0.01 -0.48 -0.08 1.14 -0.51 0.00 0.00 176.95 177.01 1qhp s GLN 491 N 0.73 0.65 -0.02 4.98 1.03 -1.26 -0.27 119.66 125.50 1qhp s GLN 491 Ca -0.11 -0.97 0.01 0.00 0.04 0.00 0.00 55.36 54.33 1qhp s GLN 491 Cb -0.16 -0.30 0.02 0.00 0.03 0.00 0.00 33.01 32.60 1qhp s GLN 491 CO 0.02 0.03 -0.01 -0.47 -2.54 0.00 0.00 175.29 172.32 1qhp s TYR 492 N -2.15 0.30 0.02 9.60 5.04 -0.01 -5.02 117.35 125.13 1qhp s TYR 492 Ca -0.02 -0.02 -0.01 0.00 -2.44 0.00 0.00 57.07 54.58 1qhp s TYR 492 Cb -0.05 -0.32 -0.02 0.00 0.35 0.00 0.00 41.96 41.93 1qhp s TYR 492 CO -0.01 -0.08 -0.01 -1.54 -1.34 0.00 0.00 175.55 172.57 1qhp s SER 493 N 0.59 0.26 0.21 4.32 1.04 -1.26 -1.50 113.70 117.36 1qhp s SER 493 Ca -0.06 -0.56 -0.19 0.00 0.48 0.00 0.00 55.95 55.63 1qhp s SER 493 Cb -0.09 0.13 0.03 0.00 0.10 0.00 0.00 66.02 66.20 1qhp s SER 493 CO -0.01 -0.37 0.57 0.28 0.98 0.00 0.00 173.24 174.69 1qhp s THR 494 N -1.93 0.02 0.61 2.02 -1.32 -1.26 -5.04 115.64 108.73 1qhp s THR 494 Ca -0.11 -0.73 -0.18 0.00 -1.21 0.00 0.00 61.69 59.46 1qhp s THR 494 Cb -0.06 -1.59 -0.03 0.00 -1.51 0.00 0.00 72.50 69.31 1qhp s THR 494 CO -0.02 -0.08 1.15 -0.94 -2.21 0.00 0.00 174.62 172.52 1qhp s SER 495 N -2.87 5.25 0.09 8.08 1.04 -1.26 -4.87 113.70 119.16 1qhp s SER 495 Ca 0.09 2.21 -0.13 0.00 0.48 0.00 0.00 55.95 58.60 1qhp s SER 495 Cb -0.02 -2.58 -0.06 0.00 0.10 0.00 0.00 66.02 63.46 1qhp s SER 495 CO -0.02 -1.54 0.47 0.00 0.98 0.00 0.00 173.24 173.12 1qhp s ALA 496 N -1.89 3.66 -2.77 5.32 0.00 -1.26 -4.99 121.76 119.84 1qhp s ALA 496 Ca 0.73 -0.23 0.24 0.00 0.00 0.00 0.00 51.96 52.70 1qhp s ALA 496 Cb -0.25 -2.41 0.37 0.00 0.00 0.00 0.00 23.12 20.83 1qhp s ALA 496 CO 0.34 0.50 1.36 -1.13 0.00 0.00 0.00 175.76 176.84 1qhp n SER 497 N 1.10 2.93 -3.74 0.00 3.41 -1.26 -4.55 113.62 111.51 1qhp n SER 497 Ca -0.08 -1.94 -0.10 0.00 -0.26 0.00 0.00 58.87 56.49 1qhp n SER 497 Cb 0.52 -0.08 -0.05 0.00 -0.26 0.00 0.00 64.21 64.34 1qhp n SER 497 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qhp s ALA 498 N -1.84 -0.70 0.11 7.33 0.00 -1.26 -5.11 121.76 120.30 1qhp s ALA 498 Ca 0.32 -0.31 -0.31 0.00 0.00 0.00 0.00 51.96 51.67 1qhp s ALA 498 Cb 0.21 0.75 -0.08 0.00 0.00 0.00 0.00 23.12 24.00 1qhp s ALA 498 CO 0.31 -0.68 1.36 -1.25 0.00 0.00 0.00 175.76 175.50 1qhp s PRO 499 N -3.86 4.34 -0.16 0.00 0.04 -1.14 -4.27 135.00 129.95 1qhp s PRO 499 Ca 0.07 2.03 -0.01 0.00 0.04 0.00 0.00 61.00 63.13 1qhp s PRO 499 Cb 0.02 -3.26 0.05 0.00 0.04 0.00 0.00 34.50 31.34 1qhp s PRO 499 CO -0.07 -0.40 -0.01 -0.65 0.04 0.00 0.00 177.00 175.91 1qhp s GLN 500 N 1.02 1.02 -0.19 4.56 -0.21 0.09 -4.20 119.66 121.77 1qhp s GLN 500 Ca 0.63 -0.38 -0.23 0.00 0.02 0.00 0.00 55.36 55.41 1qhp s GLN 500 Cb -0.36 -1.85 -0.02 0.00 1.00 0.00 0.00 33.01 31.78 1qhp s GLN 500 CO 0.31 -0.48 0.72 0.42 -2.12 0.00 0.00 175.29 174.13 1qhp s ILE 501 N 1.77 4.96 -0.16 1.08 1.01 -1.26 -1.69 121.20 126.91 1qhp s ILE 501 Ca 0.01 1.38 0.06 0.00 0.00 0.00 0.00 60.65 62.09 1qhp s ILE 501 Cb -0.15 -4.03 -0.23 0.00 0.01 0.00 0.00 42.46 38.06 1qhp s ILE 501 CO -0.07 0.07 0.22 0.61 0.00 0.00 0.00 174.94 175.77 1qhp n GLY 502 N 3.65 -0.71 3.37 6.18 0.00 0.26 -4.96 105.19 112.98 1qhp n GLY 502 Ca 0.01 -0.21 -0.14 0.00 0.00 0.00 0.00 46.02 45.68 1qhp n GLY 502 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1qhp s SER 503 N -6.34 -0.45 -0.13 1.61 0.15 -0.51 -4.85 113.70 103.17 1qhp s SER 503 Ca -0.19 0.74 0.01 0.00 0.70 0.00 0.00 55.95 57.22 1qhp s SER 503 Cb 0.07 0.78 0.02 0.00 -1.71 0.00 0.00 66.02 65.18 1qhp s SER 503 CO 0.75 -0.29 -0.16 -0.69 1.20 0.00 0.00 173.24 174.06 1qhp s VAL 504 N -0.28 1.64 -0.02 4.45 1.01 -1.26 -0.38 120.40 125.56 1qhp s VAL 504 Ca -0.04 -0.70 -0.13 0.00 0.00 0.00 0.00 61.98 61.11 1qhp s VAL 504 Cb -0.03 -1.51 0.02 0.00 0.00 0.00 0.00 36.38 34.86 1qhp s VAL 504 CO 0.03 0.47 0.27 0.00 0.00 0.00 0.00 175.10 175.86 1qhp s ALA 505 N 1.19 -0.66 1.40 5.51 0.00 -0.59 -4.51 121.76 124.10 1qhp s ALA 505 Ca -0.01 0.24 -0.22 0.00 0.00 0.00 0.00 51.96 51.97 1qhp s ALA 505 Cb -0.14 0.05 0.36 0.00 0.00 0.00 0.00 23.12 23.39 1qhp s ALA 505 CO -0.06 -0.24 0.95 -2.14 0.00 0.00 0.00 175.76 174.27 1qhp s PRO 506 N -1.24 -2.75 0.00 0.00 0.02 -1.26 -0.69 135.00 129.07 1qhp s PRO 506 Ca -0.13 0.14 0.24 0.00 0.02 0.00 0.00 61.00 61.27 1qhp s PRO 506 Cb -0.06 -1.40 0.41 0.00 0.02 0.00 0.00 34.50 33.48 1qhp s PRO 506 CO 0.03 -4.76 1.39 0.09 -0.33 0.00 0.00 177.00 173.42 1qhp n ASN 507 N -5.55 3.01 -3.70 2.53 4.13 -1.26 -4.91 115.26 109.51 1qhp n ASN 507 Ca 0.12 -1.94 -0.14 0.00 1.68 0.00 0.00 54.58 54.30 1qhp n ASN 507 Cb 0.60 -0.13 -0.08 0.00 -1.54 0.00 0.00 39.78 38.63 1qhp n ASN 507 CO 0.00 0.00 0.00 -0.32 0.28 0.00 0.00 177.26 177.22 1qhp s MET 508 N -1.74 0.79 0.00 3.52 0.00 -1.26 -0.89 119.30 119.72 1qhp s MET 508 Ca 0.34 -0.13 0.00 0.00 0.00 0.00 0.00 55.69 55.90 1qhp s MET 508 Cb 0.21 0.36 0.00 0.00 0.00 0.00 0.00 34.83 35.40 1qhp s MET 508 CO 0.31 -0.24 0.00 0.41 0.00 0.00 0.00 175.02 175.50 1qhp n GLY 509 N 1.06 -1.75 3.63 2.11 0.00 -0.81 -4.95 105.19 104.47 1qhp n GLY 509 Ca -0.20 -1.11 -0.25 0.00 0.00 0.00 0.00 46.02 44.45 1qhp n GLY 509 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1qhp s ILE 510 N -2.39 2.48 0.22 -0.61 -4.36 -1.26 -0.52 121.20 114.75 1qhp s ILE 510 Ca 0.00 -1.98 -0.31 0.00 -0.26 0.00 0.00 60.65 58.10 1qhp s ILE 510 Cb 0.00 -2.81 -0.15 0.00 1.25 0.00 0.00 42.46 40.75 1qhp s ILE 510 CO 0.00 -0.16 1.11 -2.65 0.24 0.00 0.00 174.94 173.48 1qhp n PRO 511 N -0.96 1.26 0.00 0.37 -0.02 -1.26 -1.93 135.00 132.46 1qhp n PRO 511 Ca -0.04 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 1qhp n PRO 511 Cb 0.63 -1.90 0.00 0.00 -0.02 0.00 0.00 33.50 32.22 1qhp n PRO 511 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qhp n GLY 512 N 1.75 2.85 3.74 -1.23 0.00 0.44 -4.92 105.19 107.83 1qhp n GLY 512 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 1qhp n GLY 512 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1qhp s ASN 513 N -1.29 4.59 -0.06 1.61 0.02 -0.81 -4.57 114.94 114.44 1qhp s ASN 513 Ca 0.00 2.15 -0.22 0.00 -1.02 0.00 0.00 52.86 53.77 1qhp s ASN 513 Cb 0.00 -2.57 -0.04 0.00 0.02 0.00 0.00 41.25 38.66 1qhp s ASN 513 CO 0.00 -1.98 0.64 -0.69 0.02 0.00 0.00 177.10 175.09 1qhp s VAL 514 N -2.22 5.03 -0.02 1.60 1.01 -1.26 -1.03 120.40 123.51 1qhp s VAL 514 Ca 0.70 1.33 0.05 0.00 0.00 0.00 0.00 61.98 64.06 1qhp s VAL 514 Cb -0.24 -3.98 -0.01 0.00 0.00 0.00 0.00 36.38 32.14 1qhp s VAL 514 CO 0.44 0.30 -0.18 -0.69 0.00 0.00 0.00 175.10 174.98 1qhp s VAL 515 N 0.54 1.44 -0.14 2.92 1.01 -0.22 -4.45 120.40 121.51 1qhp s VAL 515 Ca 0.34 -0.77 -0.01 0.00 0.00 0.00 0.00 61.98 61.54 1qhp s VAL 515 Cb -0.17 -1.21 -0.02 0.00 0.00 0.00 0.00 36.38 34.98 1qhp s VAL 515 CO 0.17 0.41 -0.10 -0.89 0.00 0.00 0.00 175.10 174.69 1qhp s THR 516 N -0.32 3.36 -0.28 3.92 2.01 0.13 -1.24 115.64 123.22 1qhp s THR 516 Ca 0.04 -0.55 -0.07 0.00 0.31 0.00 0.00 61.69 61.42 1qhp s THR 516 Cb -0.08 -2.43 -0.01 0.00 0.01 0.00 0.00 72.50 69.99 1qhp s THR 516 CO -0.00 0.52 0.08 -0.63 -0.69 0.00 0.00 174.62 173.90 1qhp s ILE 517 N 0.31 4.16 -0.09 1.82 1.01 0.11 -1.54 121.20 126.98 1qhp s ILE 517 Ca -0.08 -0.45 -0.01 0.00 0.00 0.00 0.00 60.65 60.11 1qhp s ILE 517 Cb -0.15 -3.06 -0.03 0.00 0.01 0.00 0.00 42.46 39.23 1qhp s ILE 517 CO 0.05 0.19 -0.03 -1.81 0.00 0.00 0.00 174.94 173.33 1qhp s ASP 518 N 1.56 4.94 0.00 3.58 1.01 0.49 -0.74 116.67 127.50 1qhp s ASP 518 Ca 0.04 0.04 0.00 0.00 0.71 0.00 0.00 52.55 53.34 1qhp s ASP 518 Cb -0.16 -1.39 0.00 0.00 1.01 0.00 0.00 42.92 42.37 1qhp s ASP 518 CO 0.03 0.34 0.00 0.61 0.21 0.00 0.00 175.17 176.36 1qhp n GLY 519 N 2.38 -0.95 3.17 0.21 0.00 0.02 -0.57 105.19 109.45 1qhp n GLY 519 Ca -0.18 -0.08 -0.09 0.00 0.00 0.00 0.00 46.02 45.67 1qhp n GLY 519 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qhp s LYS 520 N -0.06 0.73 -0.55 1.61 1.02 -0.68 -4.37 119.74 117.44 1qhp s LYS 520 Ca 0.00 -0.87 0.00 0.00 0.02 0.00 0.00 55.97 55.12 1qhp s LYS 520 Cb 0.00 0.29 0.00 0.00 -0.52 0.00 0.00 37.83 37.60 1qhp s LYS 520 CO 0.00 -0.21 0.00 0.41 -0.92 0.00 0.00 175.35 174.63 1qhp n GLY 521 N 0.30 0.66 0.14 -3.33 0.00 -1.17 -0.73 105.19 101.06 1qhp n GLY 521 Ca -0.17 -0.79 0.12 0.00 0.00 0.00 0.00 46.02 45.19 1qhp n GLY 521 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1qhp h PHE 522 N 0.00 0.00 0.00 1.61 0.04 -1.56 -3.02 116.94 114.01 1qhp h PHE 522 Ca -0.11 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.66 1qhp h PHE 522 Cb 0.51 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.66 1qhp h PHE 522 CO 0.15 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.27 1qhp n GLY 523 N 1.22 -1.61 0.08 -1.45 0.00 -1.26 -4.71 105.19 97.46 1qhp n GLY 523 Ca 0.04 -1.55 0.09 0.00 0.00 0.00 0.00 46.02 44.60 1qhp n GLY 523 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1qhp n THR 524 N -1.85 0.52 -2.98 2.61 -2.24 -1.26 -3.04 114.28 106.03 1qhp n THR 524 Ca 0.00 -0.56 -0.40 0.00 -2.27 0.00 0.00 64.05 60.82 1qhp n THR 524 Cb 0.00 -0.28 -0.04 0.00 -2.10 0.00 0.00 70.33 67.90 1qhp n THR 524 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1qhp s THR 525 N -3.33 5.00 0.14 4.28 2.01 -1.26 -4.85 115.64 117.62 1qhp s THR 525 Ca -0.04 1.54 -0.31 0.00 0.31 0.00 0.00 61.69 63.20 1qhp s THR 525 Cb 0.11 -4.09 -0.11 0.00 0.01 0.00 0.00 72.50 68.42 1qhp s THR 525 CO 0.83 0.20 1.82 1.67 -0.69 0.00 0.00 174.62 178.45 1qhp n GLN 526 N 4.09 2.82 0.00 4.92 7.27 -1.26 -4.93 117.38 130.29 1qhp n GLN 526 Ca 0.01 1.02 0.00 0.00 0.07 0.00 0.00 57.00 58.10 1qhp n GLN 526 Cb 0.51 -2.91 0.00 0.00 2.41 0.00 0.00 30.24 30.24 1qhp n GLN 526 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1qhp n GLY 527 N 4.20 2.54 3.16 1.69 0.00 -1.26 -5.02 105.19 110.50 1qhp n GLY 527 Ca 0.18 -1.36 -0.15 0.00 0.00 0.00 0.00 46.02 44.68 1qhp n GLY 527 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1qhp s THR 528 N 4.55 0.93 -0.04 2.61 -4.23 -0.53 -5.00 115.64 113.93 1qhp s THR 528 Ca 0.00 -1.51 0.03 0.00 -1.18 0.00 0.00 61.69 59.03 1qhp s THR 528 Cb 0.00 -1.22 0.00 0.00 1.34 0.00 0.00 72.50 72.62 1qhp s THR 528 CO 0.00 -0.47 -0.14 -0.69 -0.54 0.00 0.00 174.62 172.78 1qhp s VAL 529 N -2.09 1.21 0.10 2.29 1.01 -1.26 -0.16 120.40 121.50 1qhp s VAL 529 Ca 0.02 -0.58 0.08 0.00 0.00 0.00 0.00 61.98 61.51 1qhp s VAL 529 Cb -0.05 -1.06 -0.03 0.00 0.00 0.00 0.00 36.38 35.24 1qhp s VAL 529 CO 0.01 0.36 -0.20 0.42 0.00 0.00 0.00 175.10 175.68 1qhp s THR 530 N 0.22 1.69 -0.30 3.92 -4.23 -0.22 -1.03 115.64 115.69 1qhp s THR 530 Ca -0.06 -1.55 -0.01 0.00 -1.18 0.00 0.00 61.69 58.88 1qhp s THR 530 Cb -0.12 -1.55 0.05 0.00 1.34 0.00 0.00 72.50 72.22 1qhp s THR 530 CO 0.02 -0.08 -0.00 -0.36 -0.54 0.00 0.00 174.62 173.66 1qhp s PHE 531 N -1.21 3.28 -1.54 3.99 0.40 0.28 -1.34 117.98 121.84 1qhp s PHE 531 Ca 0.06 -1.93 -0.05 0.00 -0.60 0.00 0.00 56.93 54.42 1qhp s PHE 531 Cb -0.10 -2.13 0.01 0.00 0.51 0.00 0.00 43.02 41.31 1qhp s PHE 531 CO 0.04 -0.81 0.55 0.41 0.70 0.00 0.00 175.22 176.11 1qhp n GLY 532 N 4.61 -0.52 2.18 4.36 0.00 0.76 -0.86 105.19 115.71 1qhp n GLY 532 Ca -0.13 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1qhp n GLY 532 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qhp n GLY 533 N -1.45 2.07 3.68 -0.02 0.00 -1.26 -5.01 105.19 103.20 1qhp n GLY 533 Ca -0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 1qhp n GLY 533 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qhp s VAL 534 N -2.78 5.02 0.20 1.61 1.01 -0.04 -4.97 120.40 120.45 1qhp s VAL 534 Ca 0.00 1.29 -0.30 0.00 0.00 0.00 0.00 61.98 62.97 1qhp s VAL 534 Cb 0.00 -3.98 -0.09 0.00 0.00 0.00 0.00 36.38 32.30 1qhp s VAL 534 CO 0.00 0.15 1.42 -0.89 0.00 0.00 0.00 175.10 175.78 1qhp s THR 535 N 1.56 2.92 0.06 3.92 2.01 -1.26 -0.56 115.64 124.29 1qhp s THR 535 Ca 0.32 0.72 0.02 0.00 0.31 0.00 0.00 61.69 63.06 1qhp s THR 535 Cb -0.16 -3.46 -0.04 0.00 0.01 0.00 0.00 72.50 68.84 1qhp s THR 535 CO 0.12 0.09 0.11 0.00 -0.69 0.00 0.00 174.62 174.25 1qhp s ALA 536 N 0.42 3.66 0.05 7.40 0.00 -0.20 -4.86 121.76 128.23 1qhp s ALA 536 Ca 0.61 -0.95 -0.31 0.00 0.00 0.00 0.00 51.96 51.32 1qhp s ALA 536 Cb -0.40 -1.54 -0.05 0.00 0.00 0.00 0.00 23.12 21.13 1qhp s ALA 536 CO 0.38 0.75 1.20 0.99 0.00 0.00 0.00 175.76 179.08 1qhp s THR 537 N -1.37 4.06 -0.09 0.00 2.01 -1.26 -4.61 115.64 114.37 1qhp s THR 537 Ca 0.29 1.47 -0.21 0.00 0.31 0.00 0.00 61.69 63.56 1qhp s THR 537 Cb -0.12 -3.94 -0.04 0.00 0.01 0.00 0.00 72.50 68.40 1qhp s THR 537 CO 0.22 0.11 0.59 -0.69 -0.69 0.00 0.00 174.62 174.15 1qhp s VAL 538 N 1.13 5.12 -0.13 3.82 1.01 -1.26 -1.40 120.40 128.68 1qhp s VAL 538 Ca 0.59 1.20 -0.10 0.00 0.00 0.00 0.00 61.98 63.67 1qhp s VAL 538 Cb -0.29 -3.93 -0.25 0.00 0.00 0.00 0.00 36.38 31.91 1qhp s VAL 538 CO 0.29 0.29 0.36 0.50 0.00 0.00 0.00 175.10 176.54 1qhp h LYS 539 N 6.74 0.23 -2.68 2.72 3.64 -0.87 -3.48 116.57 122.87 1qhp h LYS 539 Ca -0.41 -0.40 -0.08 0.00 -1.27 0.00 0.00 60.65 58.49 1qhp h LYS 539 Cb 1.19 0.15 -0.18 0.00 -0.41 0.00 0.00 32.23 32.97 1qhp h LYS 539 CO 0.75 1.19 -0.03 -1.54 -2.27 0.00 0.00 179.45 177.55 1qhp s SER 540 N -7.03 -0.40 -0.05 4.20 1.04 -1.04 -4.96 113.70 105.46 1qhp s SER 540 Ca -0.23 0.26 -0.02 0.00 0.48 0.00 0.00 55.95 56.44 1qhp s SER 540 Cb 0.06 0.44 0.03 0.00 0.10 0.00 0.00 66.02 66.66 1qhp s SER 540 CO 0.75 -0.60 0.08 0.86 0.98 0.00 0.00 173.24 175.30 1qhp s TRP 541 N -1.80 0.02 0.34 5.02 -0.11 -1.26 -1.20 118.94 119.93 1qhp s TRP 541 Ca -0.09 0.32 0.03 0.00 1.22 0.00 0.00 56.10 57.59 1qhp s TRP 541 Cb -0.02 -0.44 -0.04 0.00 -1.50 0.00 0.00 33.47 31.48 1qhp s TRP 541 CO 0.03 -0.20 0.13 0.95 -4.62 0.00 0.00 176.95 173.23 1qhp s THR 542 N 2.18 0.58 0.38 5.86 -4.23 -0.07 -4.91 115.64 115.43 1qhp s THR 542 Ca 0.04 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.60 1qhp s THR 542 Cb -0.12 -2.52 0.27 0.00 1.34 0.00 0.00 72.50 71.47 1qhp s THR 542 CO -0.03 0.00 2.03 0.28 -0.54 0.00 0.00 174.62 176.36 1qhp h SER 543 N 2.07 0.61 -0.00 3.99 0.02 -1.87 -3.14 113.55 115.22 1qhp h SER 543 Ca -0.36 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 1qhp h SER 543 Cb 1.26 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.64 1qhp h SER 543 CO 0.57 0.44 -0.01 0.59 -1.14 0.00 0.00 176.83 177.28 1qhp n ASN 544 N -4.46 1.05 -3.70 3.07 4.13 -1.26 -1.58 115.26 112.50 1qhp n ASN 544 Ca 0.05 -1.02 -0.11 0.00 1.68 0.00 0.00 54.58 55.18 1qhp n ASN 544 Cb 0.05 0.14 -0.10 0.00 -1.54 0.00 0.00 39.78 38.33 1qhp n ASN 544 CO 0.00 0.00 0.00 -0.60 0.28 0.00 0.00 177.26 176.94 1qhp s ARG 545 N -0.35 0.43 -0.06 3.52 3.52 -1.19 -0.80 118.95 124.04 1qhp s ARG 545 Ca 0.03 0.75 0.04 0.00 -0.13 0.00 0.00 55.73 56.42 1qhp s ARG 545 Cb 0.02 0.05 -0.00 0.00 -1.56 0.00 0.00 34.95 33.46 1qhp s ARG 545 CO 0.04 -0.13 -0.18 0.42 -0.81 0.00 0.00 175.30 174.64 1qhp s ILE 546 N 1.09 1.52 -0.14 4.11 1.01 0.08 -0.89 121.20 127.98 1qhp s ILE 546 Ca -0.07 -0.75 -0.04 0.00 0.00 0.00 0.00 60.65 59.80 1qhp s ILE 546 Cb -0.07 -1.32 -0.03 0.00 0.01 0.00 0.00 42.46 41.05 1qhp s ILE 546 CO -0.09 0.44 -0.01 -1.61 0.00 0.00 0.00 174.94 173.66 1qhp s GLU 547 N 0.17 3.52 0.22 2.79 2.02 -0.34 0.10 118.70 127.17 1qhp s GLU 547 Ca -0.08 -0.47 0.03 0.00 0.02 0.00 0.00 54.97 54.47 1qhp s GLU 547 Cb -0.13 -2.92 -0.05 0.00 0.10 0.00 0.00 34.13 31.13 1qhp s GLU 547 CO 0.04 0.38 0.02 0.14 0.02 0.00 0.00 175.26 175.85 1qhp s VAL 548 N 0.01 0.83 -0.15 2.63 -7.23 -0.38 -0.15 120.40 115.97 1qhp s VAL 548 Ca 0.02 -2.01 -0.06 0.00 -1.81 0.00 0.00 61.98 58.12 1qhp s VAL 548 Cb -0.13 -2.31 -0.04 0.00 0.56 0.00 0.00 36.38 34.46 1qhp s VAL 548 CO 0.02 -0.32 0.07 -0.31 -0.31 0.00 0.00 175.10 174.25 1qhp s TYR 549 N -3.56 3.33 0.18 2.82 2.02 -0.50 -1.05 117.35 120.59 1qhp s TYR 549 Ca 0.28 0.22 -0.32 0.00 -0.37 0.00 0.00 57.07 56.89 1qhp s TYR 549 Cb 0.06 -2.00 -0.11 0.00 -0.40 0.00 0.00 41.96 39.51 1qhp s TYR 549 CO 0.08 0.36 1.72 0.08 -1.57 0.00 0.00 175.55 176.22 1qhp s VAL 550 N -0.19 2.26 0.77 0.71 1.01 -0.20 -4.14 120.40 120.62 1qhp s VAL 550 Ca 0.08 0.10 -0.13 0.00 0.00 0.00 0.00 61.98 62.04 1qhp s VAL 550 Cb -0.12 -3.07 0.06 0.00 0.00 0.00 0.00 36.38 33.26 1qhp s VAL 550 CO 0.01 0.01 1.15 -2.84 0.00 0.00 0.00 175.10 173.43 1qhp s PRO 551 N 1.57 1.99 -1.36 2.72 0.02 -1.26 -0.42 135.00 138.26 1qhp s PRO 551 Ca 0.75 1.51 -0.15 0.00 0.02 0.00 0.00 61.00 63.14 1qhp s PRO 551 Cb -0.48 -1.84 0.08 0.00 0.02 0.00 0.00 34.50 32.28 1qhp s PRO 551 CO 0.33 -1.90 1.95 -1.71 -0.33 0.00 0.00 177.00 175.34 1qhp n ASN 552 N -3.24 4.52 -4.58 2.53 5.15 -1.26 -4.45 115.26 113.94 1qhp n ASN 552 Ca 0.11 -2.92 -0.29 0.00 -0.60 0.00 0.00 54.58 50.89 1qhp n ASN 552 Cb 0.52 -1.65 -0.09 0.00 -0.53 0.00 0.00 39.78 38.02 1qhp n ASN 552 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1qhp s MET 553 N 2.96 2.02 0.61 1.20 0.23 -1.26 -5.12 119.30 119.94 1qhp s MET 553 Ca 0.48 -2.23 -0.19 0.00 -1.03 0.00 0.00 55.69 52.72 1qhp s MET 553 Cb 0.09 -1.32 -0.03 0.00 -1.53 0.00 0.00 34.83 32.03 1qhp s MET 553 CO -0.01 -0.28 1.27 0.00 -2.03 0.00 0.00 175.02 173.97 1qhp n ALA 554 N -1.06 1.16 -1.81 3.16 0.00 -1.26 -4.96 120.51 115.75 1qhp n ALA 554 Ca -0.11 0.04 -0.32 0.00 0.00 0.00 0.00 53.44 53.05 1qhp n ALA 554 Cb 0.67 -2.31 -0.03 0.00 0.00 0.00 0.00 19.45 17.78 1qhp n ALA 554 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qhp s ALA 555 N -1.37 3.00 0.00 0.00 0.00 -1.26 -4.93 121.76 117.20 1qhp s ALA 555 Ca 0.78 0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.97 1qhp s ALA 555 Cb -0.40 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 19.58 1qhp s ALA 555 CO 0.44 -0.35 0.00 0.41 0.00 0.00 0.00 175.76 176.26 1qhp n GLY 556 N -1.43 2.95 3.72 0.00 0.00 0.30 -4.90 105.19 105.83 1qhp n GLY 556 Ca 0.07 -1.84 -0.42 0.00 0.00 0.00 0.00 46.02 43.83 1qhp n GLY 556 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1qhp s LEU 557 N 0.00 4.38 0.18 0.99 2.96 -1.26 -1.66 118.68 124.26 1qhp s LEU 557 Ca 0.00 2.23 0.01 0.00 -0.22 0.00 0.00 54.13 56.14 1qhp s LEU 557 Cb 0.00 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 43.06 1qhp s LEU 557 CO 0.00 -0.58 0.04 0.28 -1.32 0.00 0.00 176.35 174.78 1qhp s THR 558 N 0.99 0.46 -0.19 3.68 -1.32 0.32 -4.95 115.64 114.62 1qhp s THR 558 Ca 0.62 -1.97 -0.09 0.00 -1.21 0.00 0.00 61.69 59.04 1qhp s THR 558 Cb -0.34 -2.22 -0.05 0.00 -1.51 0.00 0.00 72.50 68.38 1qhp s THR 558 CO 0.31 -0.36 0.12 -1.81 -2.21 0.00 0.00 174.62 170.67 1qhp s ASP 559 N -3.16 6.16 -0.08 8.08 1.01 -1.26 -0.95 116.67 126.47 1qhp s ASP 559 Ca 0.27 0.23 -0.13 0.00 0.71 0.00 0.00 52.55 53.64 1qhp s ASP 559 Cb 0.07 -2.07 -0.05 0.00 1.01 0.00 0.00 42.92 41.88 1qhp s ASP 559 CO 0.06 0.20 0.32 -0.69 0.21 0.00 0.00 175.17 175.26 1qhp s VAL 560 N 0.25 5.22 -0.01 -1.27 1.01 0.51 -0.17 120.40 125.94 1qhp s VAL 560 Ca 0.08 0.62 -0.01 0.00 0.00 0.00 0.00 61.98 62.68 1qhp s VAL 560 Cb -0.11 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.65 1qhp s VAL 560 CO -0.01 0.52 0.02 -0.75 0.00 0.00 0.00 175.10 174.87 1qhp s LYS 561 N -0.53 0.01 -0.11 2.72 2.20 -0.45 -1.93 119.74 121.66 1qhp s LYS 561 Ca 0.20 0.03 -0.02 0.00 -0.36 0.00 0.00 55.97 55.82 1qhp s LYS 561 Cb -0.14 -0.01 -0.03 0.00 -1.51 0.00 0.00 37.83 36.14 1qhp s LYS 561 CO 0.08 -0.01 -0.04 0.08 -0.36 0.00 0.00 175.35 175.10 1qhp s VAL 562 N 0.09 3.95 -0.17 4.02 1.01 -1.26 -1.06 120.40 126.99 1qhp s VAL 562 Ca -0.01 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 61.62 1qhp s VAL 562 Cb -0.01 -2.68 0.02 0.00 0.00 0.00 0.00 36.38 33.71 1qhp s VAL 562 CO -0.00 0.56 -0.19 -0.89 0.00 0.00 0.00 175.10 174.57 1qhp s THR 563 N -0.34 1.98 -0.05 3.92 2.01 0.77 -0.56 115.64 123.37 1qhp s THR 563 Ca 0.06 -0.90 -0.00 0.00 0.31 0.00 0.00 61.69 61.16 1qhp s THR 563 Cb -0.12 -1.79 0.03 0.00 0.01 0.00 0.00 72.50 70.62 1qhp s THR 563 CO 0.02 0.53 -0.01 0.00 -0.69 0.00 0.00 174.62 174.47 1qhp s ALA 564 N 1.24 0.61 -1.58 7.40 0.00 -0.34 -1.46 121.76 127.63 1qhp s ALA 564 Ca 0.03 -0.04 -0.04 0.00 0.00 0.00 0.00 51.96 51.90 1qhp s ALA 564 Cb -0.13 -0.55 0.00 0.00 0.00 0.00 0.00 23.12 22.44 1qhp s ALA 564 CO -0.11 -0.23 0.58 0.41 0.00 0.00 0.00 175.76 176.41 1qhp n GLY 565 N 4.56 -0.52 3.06 0.00 0.00 -1.26 -1.45 105.19 109.58 1qhp n GLY 565 Ca -0.17 0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1qhp n GLY 565 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qhp n GLY 566 N -1.51 1.82 3.67 -0.02 0.00 -1.26 -5.02 105.19 102.88 1qhp n GLY 566 Ca -0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.55 1qhp n GLY 566 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qhp s VAL 567 N -3.45 4.46 0.07 1.61 1.01 -0.53 -5.10 120.40 118.48 1qhp s VAL 567 Ca 0.00 -0.18 0.01 0.00 0.00 0.00 0.00 61.98 61.81 1qhp s VAL 567 Cb 0.00 -2.92 -0.04 0.00 0.00 0.00 0.00 36.38 33.42 1qhp s VAL 567 CO 0.00 0.57 0.17 -0.94 0.00 0.00 0.00 175.10 174.90 1qhp s SER 568 N -0.53 6.11 0.89 3.32 1.04 -1.26 -1.20 113.70 122.07 1qhp s SER 568 Ca 0.09 0.18 -0.09 0.00 0.48 0.00 0.00 55.95 56.61 1qhp s SER 568 Cb -0.12 -1.81 0.19 0.00 0.10 0.00 0.00 66.02 64.38 1qhp s SER 568 CO 0.02 0.17 1.18 -1.54 0.98 0.00 0.00 173.24 174.04 1qhp n SER 569 N 0.32 0.64 -4.69 7.02 3.41 0.28 -4.81 113.62 115.77 1qhp n SER 569 Ca -0.06 -1.76 -0.30 0.00 -0.26 0.00 0.00 58.87 56.49 1qhp n SER 569 Cb 0.51 -0.85 0.15 0.00 -0.26 0.00 0.00 64.21 63.76 1qhp n SER 569 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1qhp s ASN 570 N -5.47 3.23 0.08 4.04 4.22 -1.26 -4.77 114.94 115.01 1qhp s ASN 570 Ca 0.71 1.58 -0.01 0.00 -2.14 0.00 0.00 52.86 52.99 1qhp s ASN 570 Cb -0.03 -2.24 -0.04 0.00 1.28 0.00 0.00 41.25 40.22 1qhp s ASN 570 CO 0.49 -2.80 0.26 -0.76 -2.04 0.00 0.00 177.10 172.24 1qhp s LEU 571 N -6.34 4.34 -0.02 3.54 1.43 -1.26 -4.62 118.68 115.75 1qhp s LEU 571 Ca 0.64 0.36 0.00 0.00 -1.03 0.00 0.00 54.13 54.10 1qhp s LEU 571 Cb -0.19 -3.04 0.03 0.00 0.03 0.00 0.00 46.19 43.01 1qhp s LEU 571 CO 0.58 0.14 0.02 -0.47 0.23 0.00 0.00 176.35 176.85 1qhp s TYR 572 N -1.54 0.09 0.73 0.29 6.14 -0.81 -4.93 117.35 117.32 1qhp s TYR 572 Ca 0.36 0.09 -0.12 0.00 0.64 0.00 0.00 57.07 58.04 1qhp s TYR 572 Cb -0.13 -0.25 0.03 0.00 0.42 0.00 0.00 41.96 42.04 1qhp s TYR 572 CO 0.27 -0.09 1.09 -1.54 0.64 0.00 0.00 175.55 175.92 1qhp s SER 573 N 0.93 4.79 -0.23 4.32 1.04 -1.26 -0.37 113.70 122.92 1qhp s SER 573 Ca -0.08 1.84 -0.16 0.00 0.48 0.00 0.00 55.95 58.03 1qhp s SER 573 Cb -0.12 -2.53 0.07 0.00 0.10 0.00 0.00 66.02 63.54 1qhp s SER 573 CO -0.02 -1.84 0.58 -0.47 0.98 0.00 0.00 173.24 172.46 1qhp s TYR 574 N -2.77 -0.78 -0.46 5.02 5.04 -0.12 -4.84 117.35 118.44 1qhp s TYR 574 Ca 0.62 1.70 -0.16 0.00 -2.44 0.00 0.00 57.07 56.79 1qhp s TYR 574 Cb -0.18 0.37 0.06 0.00 0.35 0.00 0.00 41.96 42.56 1qhp s TYR 574 CO 0.52 -0.39 0.40 1.21 -1.34 0.00 0.00 175.55 175.95 1qhp s ASN 575 N 1.01 6.15 -0.27 4.32 2.47 -0.07 -0.52 114.94 128.02 1qhp s ASN 575 Ca -0.06 -1.14 -0.22 0.00 0.42 0.00 0.00 52.86 51.86 1qhp s ASN 575 Cb -0.05 -2.19 -0.01 0.00 -1.45 0.00 0.00 41.25 37.55 1qhp s ASN 575 CO -0.09 -0.62 0.73 -0.63 -3.72 0.00 0.00 177.10 172.77 1qhp s ILE 576 N 1.78 4.88 0.80 -5.21 1.01 -0.66 -1.92 121.20 121.87 1qhp s ILE 576 Ca 0.06 1.23 -0.12 0.00 0.00 0.00 0.00 60.65 61.82 1qhp s ILE 576 Cb -0.22 -4.06 0.07 0.00 0.01 0.00 0.00 42.46 38.26 1qhp s ILE 576 CO 0.08 -0.11 1.11 -0.76 0.00 0.00 0.00 174.94 175.27 1qhp s LEU 577 N 2.75 2.55 0.00 2.97 1.43 0.32 -0.53 118.68 128.17 1qhp s LEU 577 Ca 0.30 1.15 0.30 0.00 -1.03 0.00 0.00 54.13 54.85 1qhp s LEU 577 Cb -0.15 -3.74 1.54 0.00 0.03 0.00 0.00 46.19 43.87 1qhp s LEU 577 CO 0.10 -1.92 2.06 -1.20 0.23 0.00 0.00 176.35 175.62 1qhp n SER 578 N -3.38 0.04 0.00 2.29 7.64 -1.26 -4.68 113.62 114.26 1qhp n SER 578 Ca 0.07 -0.26 0.00 0.00 1.01 0.00 0.00 58.87 59.69 1qhp n SER 578 Cb 0.57 -0.24 0.00 0.00 -1.01 0.00 0.00 64.21 63.54 1qhp n SER 578 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1qhp n GLY 579 N 1.26 0.58 3.66 0.23 0.00 -1.26 -4.96 105.19 104.69 1qhp n GLY 579 Ca 0.15 -1.43 -0.42 0.00 0.00 0.00 0.00 46.02 44.32 1qhp n GLY 579 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1qhp n THR 580 N -1.29 2.21 -3.50 2.61 5.66 -1.26 -4.67 114.28 114.04 1qhp n THR 580 Ca 0.00 -0.50 -0.23 0.00 -3.05 0.00 0.00 64.05 60.27 1qhp n THR 580 Cb 0.00 -1.36 -0.01 0.00 -1.55 0.00 0.00 70.33 67.41 1qhp n THR 580 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 1qhp s GLN 581 N -1.91 3.40 0.07 1.09 -1.52 -1.26 -0.34 119.66 119.20 1qhp s GLN 581 Ca 0.59 -0.51 0.05 0.00 -1.95 0.00 0.00 55.36 53.54 1qhp s GLN 581 Cb -0.58 -2.72 -0.03 0.00 -0.22 0.00 0.00 33.01 29.46 1qhp s GLN 581 CO 0.60 0.17 -0.13 -0.08 -0.25 0.00 0.00 175.29 175.60 1qhp s THR 582 N -2.25 1.06 -0.37 -0.19 -1.32 0.15 -4.58 115.64 108.15 1qhp s THR 582 Ca 0.40 -1.33 -0.11 0.00 -1.21 0.00 0.00 61.69 59.44 1qhp s THR 582 Cb -0.09 -1.07 0.02 0.00 -1.51 0.00 0.00 72.50 69.85 1qhp s THR 582 CO 0.34 -0.27 0.20 -0.55 -2.21 0.00 0.00 174.62 172.14 1qhp s SER 583 N -1.80 5.73 -0.12 8.08 0.15 -0.42 -1.54 113.70 123.77 1qhp s SER 583 Ca -0.02 -0.90 0.02 0.00 0.70 0.00 0.00 55.95 55.75 1qhp s SER 583 Cb -0.09 -2.03 -0.00 0.00 -1.71 0.00 0.00 66.02 62.19 1qhp s SER 583 CO 0.02 -0.36 -0.20 -0.69 1.20 0.00 0.00 173.24 173.22 1qhp s VAL 584 N 1.57 2.39 -0.38 4.45 1.01 -0.21 -2.52 120.40 126.70 1qhp s VAL 584 Ca 0.03 -0.89 -0.29 0.00 0.00 0.00 0.00 61.98 60.83 1qhp s VAL 584 Cb -0.19 -1.96 0.02 0.00 0.00 0.00 0.00 36.38 34.25 1qhp s VAL 584 CO 0.07 0.54 1.23 -0.69 0.00 0.00 0.00 175.10 176.25 1qhp s VAL 585 N 0.49 4.19 -0.28 2.92 1.01 -0.21 -1.01 120.40 127.51 1qhp s VAL 585 Ca -0.13 1.29 -0.10 0.00 0.00 0.00 0.00 61.98 63.03 1qhp s VAL 585 Cb -0.17 -4.36 -0.04 0.00 0.00 0.00 0.00 36.38 31.81 1qhp s VAL 585 CO 0.05 -0.70 0.17 -0.36 0.00 0.00 0.00 175.10 174.27 1qhp s PHE 586 N 4.46 3.20 -0.06 5.22 0.40 0.02 -0.94 117.98 130.28 1qhp s PHE 586 Ca 0.52 0.01 0.05 0.00 -0.60 0.00 0.00 56.93 56.91 1qhp s PHE 586 Cb -0.12 -2.36 -0.02 0.00 0.51 0.00 0.00 43.02 41.03 1qhp s PHE 586 CO 0.26 -0.20 -0.21 0.99 0.70 0.00 0.00 175.22 176.75 1qhp s THR 587 N 1.73 2.39 -0.19 0.64 2.01 -0.40 -1.84 115.64 119.99 1qhp s THR 587 Ca 0.07 -0.95 0.01 0.00 0.31 0.00 0.00 61.69 61.13 1qhp s THR 587 Cb -0.16 -1.90 0.03 0.00 0.01 0.00 0.00 72.50 70.48 1qhp s THR 587 CO 0.10 0.57 -0.16 0.54 -0.69 0.00 0.00 174.62 174.97 1qhp s VAL 588 N -0.29 1.92 0.26 3.82 0.11 0.24 -1.58 120.40 124.90 1qhp s VAL 588 Ca 0.01 -0.98 -0.10 0.00 -2.93 0.00 0.00 61.98 57.97 1qhp s VAL 588 Cb -0.13 -1.82 -0.07 0.00 -1.53 0.00 0.00 36.38 32.83 1qhp s VAL 588 CO 0.03 0.40 0.60 -0.54 -3.33 0.00 0.00 175.10 172.25 1qhp s LYS 589 N 1.32 3.83 -1.30 1.54 1.02 0.13 -0.94 119.74 125.34 1qhp s LYS 589 Ca 0.02 0.35 -0.03 0.00 0.02 0.00 0.00 55.97 56.32 1qhp s LYS 589 Cb -0.14 -2.59 -0.00 0.00 -0.52 0.00 0.00 37.83 34.58 1qhp s LYS 589 CO -0.11 0.26 0.63 0.43 -0.92 0.00 0.00 175.35 175.64 1qhp n SER 590 N -0.31 -1.69 -4.82 2.83 7.64 -1.22 -0.96 113.62 115.09 1qhp n SER 590 Ca 0.01 -0.91 -0.30 0.00 1.01 0.00 0.00 58.87 58.68 1qhp n SER 590 Cb 0.53 -3.67 0.08 0.00 -1.01 0.00 0.00 64.21 60.13 1qhp n SER 590 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1qhp s ALA 591 N -3.72 2.41 0.70 -0.43 0.00 -0.44 -4.51 121.76 115.76 1qhp s ALA 591 Ca 0.09 -0.20 -0.15 0.00 0.00 0.00 0.00 51.96 51.70 1qhp s ALA 591 Cb -0.03 -3.10 0.02 0.00 0.00 0.00 0.00 23.12 20.01 1qhp s ALA 591 CO 0.84 -1.57 1.14 -2.14 0.00 0.00 0.00 175.76 174.03 1qhp s PRO 592 N -5.18 2.50 0.38 0.00 0.02 -1.26 -4.88 135.00 126.57 1qhp s PRO 592 Ca 0.60 1.51 -0.27 0.00 0.02 0.00 0.00 61.00 62.86 1qhp s PRO 592 Cb -0.14 -1.90 -0.11 0.00 0.02 0.00 0.00 34.50 32.37 1qhp s PRO 592 CO 0.54 -1.51 1.31 -2.30 -0.33 0.00 0.00 177.00 174.71 1qhp n PRO 593 N -2.62 2.13 -4.33 5.54 -0.02 -1.26 -5.03 135.00 129.42 1qhp n PRO 593 Ca 0.11 0.75 -0.18 0.00 -2.02 0.00 0.00 63.50 62.17 1qhp n PRO 593 Cb 0.51 -2.40 -0.10 0.00 -0.02 0.00 0.00 33.50 31.50 1qhp n PRO 593 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1qhp s THR 594 N -1.14 1.64 0.27 3.45 -4.23 -1.26 -5.16 115.64 109.22 1qhp s THR 594 Ca 0.57 -2.19 0.08 0.00 -1.18 0.00 0.00 61.69 58.98 1qhp s THR 594 Cb -0.53 -2.01 -0.04 0.00 1.34 0.00 0.00 72.50 71.26 1qhp s THR 594 CO 0.61 -0.62 0.12 0.20 -0.54 0.00 0.00 174.62 174.39 1qhp s ASN 595 N -3.29 5.02 0.13 3.99 -0.87 -1.26 -5.02 114.94 113.65 1qhp s ASN 595 Ca 0.21 -0.48 -0.35 0.00 -1.57 0.00 0.00 52.86 50.67 1qhp s ASN 595 Cb -0.00 -1.07 -0.15 0.00 -0.02 0.00 0.00 41.25 40.00 1qhp s ASN 595 CO 0.06 -0.07 1.43 -0.11 -2.57 0.00 0.00 177.10 175.83 1qhp n LEU 596 N -1.08 2.31 0.00 0.60 -0.00 -1.26 -0.84 117.00 116.74 1qhp n LEU 596 Ca -0.06 1.11 0.00 0.00 -0.00 0.00 0.00 56.01 57.06 1qhp n LEU 596 Cb 0.59 -1.30 0.00 0.00 -0.00 0.00 0.00 43.42 42.71 1qhp n LEU 596 CO 0.42 -0.73 0.00 0.61 -0.00 0.00 0.00 177.39 177.69 1qhp n GLY 597 N 2.81 3.00 3.75 -3.96 0.00 -1.26 -4.80 105.19 104.73 1qhp n GLY 597 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1qhp n GLY 597 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qhp s ASP 598 N 0.57 7.20 0.03 1.61 1.01 -0.02 -3.92 116.67 123.15 1qhp s ASP 598 Ca 0.00 2.21 -0.00 0.00 0.71 0.00 0.00 52.55 55.47 1qhp s ASP 598 Cb 0.00 -2.61 -0.02 0.00 1.01 0.00 0.00 42.92 41.29 1qhp s ASP 598 CO 0.00 -0.25 -0.03 -0.54 0.21 0.00 0.00 175.17 174.56 1qhp s LYS 599 N -0.73 0.38 -0.14 8.23 1.02 -0.58 -4.82 119.74 123.10 1qhp s LYS 599 Ca 0.49 -0.74 -0.07 0.00 0.02 0.00 0.00 55.97 55.66 1qhp s LYS 599 Cb -0.31 0.12 -0.04 0.00 -0.52 0.00 0.00 37.83 37.08 1qhp s LYS 599 CO 0.38 -0.06 0.13 0.42 -0.92 0.00 0.00 175.35 175.30 1qhp s ILE 600 N -1.97 5.42 0.26 2.17 1.01 -1.26 -0.23 121.20 126.60 1qhp s ILE 600 Ca -0.11 0.18 0.08 0.00 0.00 0.00 0.00 60.65 60.80 1qhp s ILE 600 Cb -0.06 -3.38 -0.05 0.00 0.01 0.00 0.00 42.46 38.97 1qhp s ILE 600 CO -0.03 0.58 -0.12 -0.31 0.00 0.00 0.00 174.94 175.06 1qhp s TYR 601 N -0.72 1.98 -0.06 3.97 1.51 -0.34 -0.08 117.35 123.62 1qhp s TYR 601 Ca 0.13 -0.57 0.03 0.00 -1.01 0.00 0.00 57.07 55.66 1qhp s TYR 601 Cb -0.12 -1.01 -0.02 0.00 -0.11 0.00 0.00 41.96 40.70 1qhp s TYR 601 CO 0.03 0.42 -0.15 -1.17 -1.11 0.00 0.00 175.55 173.57 1qhp s LEU 602 N -3.43 2.66 0.02 -1.29 2.96 0.23 -1.58 118.68 118.25 1qhp s LEU 602 Ca 0.28 -0.25 -0.07 0.00 -0.22 0.00 0.00 54.13 53.86 1qhp s LEU 602 Cb 0.00 -1.54 -0.00 0.00 0.50 0.00 0.00 46.19 45.15 1qhp s LEU 602 CO 0.11 0.31 0.13 0.28 -1.32 0.00 0.00 176.35 175.86 1qhp s THR 603 N -0.49 0.10 0.03 3.68 -1.32 -0.39 -0.52 115.64 116.73 1qhp s THR 603 Ca 0.06 -0.85 -0.03 0.00 -1.21 0.00 0.00 61.69 59.67 1qhp s THR 603 Cb -0.12 -0.66 0.01 0.00 -1.51 0.00 0.00 72.50 70.23 1qhp s THR 603 CO 0.02 -0.47 0.13 0.61 -2.21 0.00 0.00 174.62 172.70 1qhp n GLY 604 N 1.11 1.37 1.75 6.08 0.00 -0.36 -1.14 105.19 113.99 1qhp n GLY 604 Ca -0.21 -0.97 -0.15 0.00 0.00 0.00 0.00 46.02 44.69 1qhp n GLY 604 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1qhp n ASN 605 N -0.77 3.81 -3.94 1.61 6.94 -0.46 -1.13 115.26 121.32 1qhp n ASN 605 Ca -0.01 -2.97 -0.09 0.00 -0.02 0.00 0.00 54.58 51.49 1qhp n ASN 605 Cb 0.08 -0.74 -0.09 0.00 -2.36 0.00 0.00 39.78 36.67 1qhp n ASN 605 CO 0.00 0.00 0.00 0.27 -1.03 0.00 0.00 177.26 176.50 1qhp s ILE 606 N -2.03 0.13 0.50 1.53 -4.36 -1.26 -4.89 121.20 110.83 1qhp s ILE 606 Ca 0.34 -1.09 0.16 0.00 -0.26 0.00 0.00 60.65 59.80 1qhp s ILE 606 Cb 0.28 -0.84 0.25 0.00 1.25 0.00 0.00 42.46 43.39 1qhp s ILE 606 CO 0.06 -0.60 2.11 1.55 0.24 0.00 0.00 174.94 178.29 1qhp h PRO 607 N 3.75 0.00 0.00 0.37 0.13 -1.90 -0.12 132.00 134.23 1qhp h PRO 607 Ca -0.32 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.79 1qhp h PRO 607 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 1qhp h PRO 607 CO 0.50 0.05 -0.09 0.93 -0.23 0.00 0.00 178.00 179.16 1qhp h GLU 608 N 0.00 0.00 -0.33 0.86 3.07 -1.93 -1.28 114.58 114.97 1qhp h GLU 608 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1qhp h GLU 608 Cb 0.10 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.01 1qhp h GLU 608 CO 0.01 0.09 0.00 1.28 -1.40 0.00 0.00 179.01 178.99 1qhp n LEU 609 N -4.19 3.84 0.00 1.33 4.77 -0.15 -4.89 117.00 117.70 1qhp n LEU 609 Ca -0.03 -2.71 0.00 0.00 -0.03 0.00 0.00 56.01 53.25 1qhp n LEU 609 Cb 0.17 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 1qhp n LEU 609 CO 0.33 0.70 0.00 0.61 -1.33 0.00 0.00 177.39 177.70 1qhp n GLY 610 N -0.04 0.77 4.02 -0.72 0.00 -0.48 -1.22 105.19 107.52 1qhp n GLY 610 Ca 0.20 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.94 1qhp n GLY 610 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1qhp n ASN 611 N 0.00 -0.68 -0.35 1.61 3.02 -0.62 -1.09 115.26 117.15 1qhp n ASN 611 Ca 0.00 -1.03 -0.05 0.00 -0.03 0.00 0.00 54.58 53.48 1qhp n ASN 611 Cb 0.00 -2.89 -0.02 0.00 -0.61 0.00 0.00 39.78 36.26 1qhp n ASN 611 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 1qhp n TRP 612 N -4.42 0.00 -2.01 3.10 7.02 -0.28 -4.94 117.44 115.91 1qhp n TRP 612 Ca -0.25 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 55.87 1qhp n TRP 612 Cb 0.66 -1.50 0.03 0.00 -2.42 0.00 0.00 31.31 28.08 1qhp n TRP 612 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 1qhp s SER 613 N -2.36 5.20 0.00 -0.99 0.15 -0.25 -4.93 113.70 110.53 1qhp s SER 613 Ca 0.00 2.40 0.09 0.00 0.70 0.00 0.00 55.95 59.14 1qhp s SER 613 Cb 0.00 -2.60 0.19 0.00 -1.71 0.00 0.00 66.02 61.90 1qhp s SER 613 CO 0.00 -1.59 1.06 0.35 1.20 0.00 0.00 173.24 174.27 1qhp n THR 614 N -1.56 0.64 -2.45 6.45 -2.24 -1.26 -3.94 114.28 109.92 1qhp n THR 614 Ca 0.13 -0.82 -0.41 0.00 -2.27 0.00 0.00 64.05 60.69 1qhp n THR 614 Cb 0.49 0.75 -0.04 0.00 -2.10 0.00 0.00 70.33 69.44 1qhp n THR 614 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1qhp s ASP 615 N -0.92 7.21 -0.11 3.42 2.15 -1.26 -4.83 116.67 122.34 1qhp s ASP 615 Ca 0.16 2.22 0.15 0.00 0.43 0.00 0.00 52.55 55.51 1qhp s ASP 615 Cb 0.09 -2.62 0.24 0.00 -0.30 0.00 0.00 42.92 40.34 1qhp s ASP 615 CO 0.13 -0.23 1.12 0.35 -0.17 0.00 0.00 175.17 176.37 1qhp n THR 616 N 1.83 1.47 -0.92 1.71 -2.24 -1.26 -1.03 114.28 113.84 1qhp n THR 616 Ca 0.01 -1.84 -0.00 0.00 -2.27 0.00 0.00 64.05 59.96 1qhp n THR 616 Cb 0.45 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.63 1qhp n THR 616 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1qhp n SER 617 N -1.07 -0.16 0.00 3.42 3.41 -1.26 -4.94 113.62 113.02 1qhp n SER 617 Ca 0.13 -0.92 0.05 0.00 -0.26 0.00 0.00 58.87 57.87 1qhp n SER 617 Cb 0.67 -0.00 0.31 0.00 -0.26 0.00 0.00 64.21 64.92 1qhp n SER 617 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qhp n GLY 618 N 4.57 -0.86 3.64 5.00 0.00 -1.26 -4.89 105.19 111.39 1qhp n GLY 618 Ca 0.00 -0.06 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 1qhp n GLY 618 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qhp s ALA 619 N -2.00 1.04 0.07 4.61 0.00 -1.26 -4.77 121.76 119.45 1qhp s ALA 619 Ca 0.16 0.27 -0.20 0.00 0.00 0.00 0.00 51.96 52.19 1qhp s ALA 619 Cb 0.07 -3.34 -0.07 0.00 0.00 0.00 0.00 23.12 19.78 1qhp s ALA 619 CO 0.12 -2.89 0.60 0.08 0.00 0.00 0.00 175.76 173.67 1qhp s VAL 620 N -2.67 4.73 -1.27 0.00 1.01 -1.26 -4.32 120.40 116.62 1qhp s VAL 620 Ca 0.66 1.29 -0.01 0.00 0.00 0.00 0.00 61.98 63.92 1qhp s VAL 620 Cb -0.22 -3.94 -0.00 0.00 0.00 0.00 0.00 36.38 32.22 1qhp s VAL 620 CO 0.59 0.52 0.76 0.59 0.00 0.00 0.00 175.10 177.56 1qhp n ASN 621 N 1.95 -1.77 0.00 3.32 3.02 -1.26 -5.03 115.26 115.50 1qhp n ASN 621 Ca -0.09 -0.79 0.00 0.00 -0.03 0.00 0.00 54.58 53.67 1qhp n ASN 621 Cb 0.51 -4.25 0.00 0.00 -0.61 0.00 0.00 39.78 35.43 1qhp n ASN 621 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1qhp n ASN 622 N -3.06 0.74 -4.76 6.41 0.23 -1.26 -4.19 115.26 109.38 1qhp n ASN 622 Ca -0.28 0.00 -0.39 0.00 -0.53 0.00 0.00 54.58 53.38 1qhp n ASN 622 Cb 0.67 0.00 0.02 0.00 -2.08 0.00 0.00 39.78 38.39 1qhp n ASN 622 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1qhp s ALA 623 N -2.15 3.08 -0.05 -2.53 0.00 -0.20 -3.35 121.76 116.57 1qhp s ALA 623 Ca 0.00 1.35 -0.13 0.00 0.00 0.00 0.00 51.96 53.18 1qhp s ALA 623 Cb 0.00 -3.55 -0.05 0.00 0.00 0.00 0.00 23.12 19.51 1qhp s ALA 623 CO 0.00 -1.17 0.35 -0.65 0.00 0.00 0.00 175.76 174.29 1qhp s GLN 624 N -2.59 3.89 0.00 0.00 -1.52 0.32 -4.82 119.66 114.94 1qhp s GLN 624 Ca 0.64 0.28 0.00 0.00 -1.95 0.00 0.00 55.36 54.33 1qhp s GLN 624 Cb -0.41 -3.25 0.00 0.00 -0.22 0.00 0.00 33.01 29.13 1qhp s GLN 624 CO 0.51 0.62 0.00 0.41 -0.25 0.00 0.00 175.29 176.58 1qhp n GLY 625 N 2.11 0.69 3.79 3.09 0.00 -1.26 -0.60 105.19 113.01 1qhp n GLY 625 Ca -0.14 -1.88 -0.31 0.00 0.00 0.00 0.00 46.02 43.69 1qhp n GLY 625 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1qhp s PRO 626 N -1.30 2.37 0.62 1.61 0.04 -1.26 -5.07 135.00 132.01 1qhp s PRO 626 Ca 0.00 0.92 -0.11 0.00 0.04 0.00 0.00 61.00 61.85 1qhp s PRO 626 Cb 0.00 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.57 1qhp s PRO 626 CO 0.00 -1.49 1.03 -0.51 0.04 0.00 0.00 177.00 176.07 1qhp s LEU 627 N -5.77 3.22 0.34 -3.56 1.02 0.88 -4.89 118.68 109.92 1qhp s LEU 627 Ca 0.60 1.40 0.07 0.00 0.02 0.00 0.00 54.13 56.22 1qhp s LEU 627 Cb -0.15 -4.44 -0.02 0.00 0.02 0.00 0.00 46.19 41.60 1qhp s LEU 627 CO 0.55 -0.89 0.37 -0.76 0.02 0.00 0.00 176.35 175.65 1qhp s LEU 628 N -5.18 3.73 -0.38 1.79 1.43 0.60 -4.60 118.68 116.06 1qhp s LEU 628 Ca 0.55 -0.39 0.11 0.00 -1.03 0.00 0.00 54.13 53.37 1qhp s LEU 628 Cb -0.11 -2.43 0.32 0.00 0.03 0.00 0.00 46.19 44.01 1qhp s LEU 628 CO 0.54 -0.41 0.72 0.00 0.23 0.00 0.00 176.35 177.43 1qhp n ALA 629 N -1.50 1.79 0.09 4.21 0.00 -1.26 -0.85 120.51 122.98 1qhp n ALA 629 Ca -0.01 -3.20 0.02 0.00 0.00 0.00 0.00 53.44 50.26 1qhp n ALA 629 Cb 0.59 -0.93 0.39 0.00 0.00 0.00 0.00 19.45 19.50 1qhp n ALA 629 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1qhp h PRO 630 N 3.24 0.32 -0.87 0.00 0.13 -1.96 -2.39 132.00 130.46 1qhp h PRO 630 Ca 0.07 -0.06 -0.58 0.00 -0.87 0.00 0.00 66.00 64.57 1qhp h PRO 630 Cb 0.96 -0.05 -0.31 0.00 0.13 0.00 0.00 31.00 31.74 1qhp h PRO 630 CO 0.46 0.39 0.34 0.09 -0.23 0.00 0.00 178.00 179.05 1qhp n ASN 631 N -4.31 5.99 -4.57 1.44 5.03 -1.26 -5.04 115.26 112.54 1qhp n ASN 631 Ca 0.00 -3.76 -0.47 0.00 0.87 0.00 0.00 54.58 51.22 1qhp n ASN 631 Cb 0.23 -0.77 -0.03 0.00 -1.02 0.00 0.00 39.78 38.19 1qhp n ASN 631 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1qhp n TYR 632 N -0.92 1.17 1.02 3.10 9.36 -0.90 -0.78 117.16 129.20 1qhp n TYR 632 Ca 0.55 0.71 0.02 0.00 3.32 0.00 0.00 57.90 62.49 1qhp n TYR 632 Cb 0.90 -2.25 0.07 0.00 -0.63 0.00 0.00 39.34 37.43 1qhp n TYR 632 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1qhp n PRO 633 N 1.23 1.55 -3.30 2.98 -0.04 -1.26 -5.08 135.00 131.09 1qhp n PRO 633 Ca 0.13 -0.53 -0.37 0.00 -0.04 0.00 0.00 63.50 62.68 1qhp n PRO 633 Cb 0.28 -1.43 -0.06 0.00 -0.04 0.00 0.00 33.50 32.25 1qhp n PRO 633 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1qhp s ASP 634 N -0.48 6.98 0.14 3.54 1.01 0.04 -1.32 116.67 126.58 1qhp s ASP 634 Ca 0.09 1.20 0.09 0.00 0.71 0.00 0.00 52.55 54.64 1qhp s ASP 634 Cb 0.06 -2.34 -0.04 0.00 1.01 0.00 0.00 42.92 41.62 1qhp s ASP 634 CO 0.04 0.21 -0.20 0.26 0.21 0.00 0.00 175.17 175.69 1qhp s TRP 635 N -1.24 1.84 0.13 4.23 0.52 -0.11 -4.20 118.94 120.11 1qhp s TRP 635 Ca 0.32 -0.44 -0.20 0.00 0.02 0.00 0.00 56.10 55.81 1qhp s TRP 635 Cb -0.18 -0.96 0.05 0.00 -1.15 0.00 0.00 33.47 31.24 1qhp s TRP 635 CO 0.19 0.29 0.50 -0.59 0.02 0.00 0.00 176.95 177.36 1qhp s PHE 636 N -1.67 -0.37 0.27 -1.98 -0.71 -0.03 -0.59 117.98 112.90 1qhp s PHE 636 Ca 0.12 0.13 -0.12 0.00 -1.04 0.00 0.00 56.93 56.02 1qhp s PHE 636 Cb -0.08 0.40 0.05 0.00 -1.21 0.00 0.00 43.02 42.18 1qhp s PHE 636 CO 0.06 -0.76 0.63 0.98 -1.34 0.00 0.00 175.22 174.79 1qhp n TYR 637 N -0.25 -1.86 -4.63 3.49 9.36 -0.76 -0.29 117.16 122.22 1qhp n TYR 637 Ca -0.17 -1.31 -0.28 0.00 3.32 0.00 0.00 57.90 59.46 1qhp n TYR 637 Cb 0.64 0.65 -0.17 0.00 -0.63 0.00 0.00 39.34 39.84 1qhp n TYR 637 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 1qhp s VAL 638 N -2.30 1.47 0.04 2.97 1.01 -1.26 -0.80 120.40 121.54 1qhp s VAL 638 Ca 0.13 -0.65 0.04 0.00 0.00 0.00 0.00 61.98 61.50 1qhp s VAL 638 Cb -0.03 -1.33 -0.02 0.00 0.00 0.00 0.00 36.38 34.99 1qhp s VAL 638 CO 0.08 0.43 -0.11 -0.36 0.00 0.00 0.00 175.10 175.14 1qhp s PHE 639 N 0.78 0.97 -0.18 5.22 0.08 -0.18 -2.88 117.98 121.79 1qhp s PHE 639 Ca -0.11 -0.40 -0.22 0.00 0.12 0.00 0.00 56.93 56.31 1qhp s PHE 639 Cb -0.16 -0.57 -0.02 0.00 -0.57 0.00 0.00 43.02 41.70 1qhp s PHE 639 CO 0.02 -0.00 0.68 0.45 -0.10 0.00 0.00 175.22 176.27 1qhp s SER 640 N -1.35 6.77 0.09 1.36 0.15 -1.26 -1.05 113.70 118.41 1qhp s SER 640 Ca -0.03 0.94 0.02 0.00 0.70 0.00 0.00 55.95 57.57 1qhp s SER 640 Cb -0.09 -2.38 -0.04 0.00 -1.71 0.00 0.00 66.02 61.81 1qhp s SER 640 CO 0.01 -0.29 -0.07 0.68 1.20 0.00 0.00 173.24 174.78 1qhp s VAL 641 N 1.88 0.65 0.20 4.45 -7.23 -0.59 -4.85 120.40 114.92 1qhp s VAL 641 Ca 0.31 -1.82 -0.32 0.00 -1.81 0.00 0.00 61.98 58.34 1qhp s VAL 641 Cb -0.16 -1.54 -0.13 0.00 0.56 0.00 0.00 36.38 35.12 1qhp s VAL 641 CO 0.11 -0.82 1.67 -0.81 -0.31 0.00 0.00 175.10 174.94 1qhp n PRO 642 N 0.16 2.59 -2.46 4.82 -0.04 -1.26 0.29 135.00 139.10 1qhp n PRO 642 Ca -0.14 0.93 -0.38 0.00 -0.04 0.00 0.00 63.50 63.88 1qhp n PRO 642 Cb 0.60 -2.75 -0.03 0.00 -0.04 0.00 0.00 33.50 31.27 1qhp n PRO 642 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1qhp s ALA 643 N 0.97 3.18 -1.40 0.55 0.00 0.54 -3.98 121.76 121.62 1qhp s ALA 643 Ca 0.75 0.82 -0.02 0.00 0.00 0.00 0.00 51.96 53.51 1qhp s ALA 643 Cb -0.55 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.25 1qhp s ALA 643 CO 0.35 -0.29 0.32 0.41 0.00 0.00 0.00 175.76 176.55 1qhp n GLY 644 N 0.63 -0.35 3.33 0.00 0.00 -0.27 -4.89 105.19 103.65 1qhp n GLY 644 Ca 0.03 -0.06 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 1qhp n GLY 644 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qhp s LYS 645 N -5.27 1.51 -0.19 1.61 -0.14 -1.26 -4.86 119.74 111.15 1qhp s LYS 645 Ca 0.16 -1.16 -0.19 0.00 -1.36 0.00 0.00 55.97 53.42 1qhp s LYS 645 Cb -0.07 -1.79 -0.03 0.00 -1.68 0.00 0.00 37.83 34.26 1qhp s LYS 645 CO 0.19 0.44 0.55 0.99 -0.76 0.00 0.00 175.35 176.77 1qhp s THR 646 N -0.93 5.09 0.19 2.17 2.01 -1.26 -0.54 115.64 122.36 1qhp s THR 646 Ca 0.11 1.04 0.08 0.00 0.31 0.00 0.00 61.69 63.23 1qhp s THR 646 Cb -0.10 -3.88 -0.04 0.00 0.01 0.00 0.00 72.50 68.49 1qhp s THR 646 CO 0.03 0.17 -0.16 0.27 -0.69 0.00 0.00 174.62 174.25 1qhp s ILE 647 N 1.60 1.74 -0.03 1.82 -4.36 0.32 -4.98 121.20 117.31 1qhp s ILE 647 Ca 0.26 -2.08 0.07 0.00 -0.26 0.00 0.00 60.65 58.64 1qhp s ILE 647 Cb -0.16 -1.94 -0.02 0.00 1.25 0.00 0.00 42.46 41.60 1qhp s ILE 647 CO 0.10 -0.49 -0.24 -1.10 0.24 0.00 0.00 174.94 173.45 1qhp s GLN 648 N -3.29 2.24 0.13 0.37 -0.21 -1.26 -1.88 119.66 115.76 1qhp s GLN 648 Ca 0.19 -0.90 -0.23 0.00 0.02 0.00 0.00 55.36 54.45 1qhp s GLN 648 Cb -0.03 -2.11 0.07 0.00 1.00 0.00 0.00 33.01 31.94 1qhp s GLN 648 CO 0.07 0.53 0.59 -0.59 -2.12 0.00 0.00 175.29 173.77 1qhp s PHE 649 N -0.54 -0.52 0.13 0.91 -0.71 -0.45 -1.36 117.98 115.44 1qhp s PHE 649 Ca 0.08 0.38 -0.03 0.00 -1.04 0.00 0.00 56.93 56.32 1qhp s PHE 649 Cb -0.11 0.51 -0.03 0.00 -1.21 0.00 0.00 43.02 42.18 1qhp s PHE 649 CO 0.00 -0.80 0.10 0.15 -1.34 0.00 0.00 175.22 173.33 1qhp s LYS 650 N -3.43 0.93 0.21 1.99 1.02 -0.29 -1.02 119.74 119.16 1qhp s LYS 650 Ca -0.00 -1.34 0.08 0.00 0.02 0.00 0.00 55.97 54.73 1qhp s LYS 650 Cb -0.01 0.27 -0.04 0.00 -0.52 0.00 0.00 37.83 37.53 1qhp s LYS 650 CO -0.10 -0.28 0.02 -0.06 -0.92 0.00 0.00 175.35 174.02 1qhp s PHE 651 N -4.01 2.83 0.02 3.18 0.40 -1.26 -1.26 117.98 117.88 1qhp s PHE 651 Ca 0.20 -0.16 -0.06 0.00 -0.60 0.00 0.00 56.93 56.31 1qhp s PHE 651 Cb 0.07 -1.32 -0.01 0.00 0.51 0.00 0.00 43.02 42.27 1qhp s PHE 651 CO -0.01 0.55 0.11 -0.59 0.70 0.00 0.00 175.22 175.99 1qhp s PHE 652 N -1.97 0.13 -0.15 0.36 -0.12 -0.61 -1.62 117.98 113.99 1qhp s PHE 652 Ca 0.29 -0.33 -0.14 0.00 -0.05 0.00 0.00 56.93 56.71 1qhp s PHE 652 Cb -0.08 -0.10 -0.05 0.00 -0.63 0.00 0.00 43.02 42.16 1qhp s PHE 652 CO 0.20 -0.32 0.29 0.42 -0.05 0.00 0.00 175.22 175.76 1qhp s ILE 653 N -1.99 5.30 -0.46 -4.49 1.01 0.44 -1.19 121.20 119.82 1qhp s ILE 653 Ca -0.10 0.55 -0.11 0.00 0.00 0.00 0.00 60.65 60.99 1qhp s ILE 653 Cb -0.05 -3.63 0.10 0.00 0.01 0.00 0.00 42.46 38.89 1qhp s ILE 653 CO -0.02 0.41 0.34 -0.75 0.00 0.00 0.00 174.94 174.93 1qhp s LYS 654 N 0.31 2.69 0.96 2.79 2.20 0.68 -0.63 119.74 128.73 1qhp s LYS 654 Ca 0.17 -1.56 -0.11 0.00 -0.36 0.00 0.00 55.97 54.10 1qhp s LYS 654 Cb -0.13 -3.96 0.17 0.00 -1.51 0.00 0.00 37.83 32.40 1qhp s LYS 654 CO 0.04 -1.09 1.10 1.03 -0.36 0.00 0.00 175.35 176.07 1qhp s ARG 655 N 1.47 0.72 0.50 4.03 1.81 0.82 -1.53 118.95 126.78 1qhp s ARG 655 Ca 0.04 1.17 0.22 0.00 -1.72 0.00 0.00 55.73 55.43 1qhp s ARG 655 Cb -0.25 -1.72 1.29 0.00 -0.45 0.00 0.00 34.95 33.82 1qhp s ARG 655 CO 0.02 -2.71 1.99 0.00 -0.68 0.00 0.00 175.30 173.92 1qhp h ALA 656 N -1.91 2.36 -0.15 2.13 0.00 -1.87 0.91 119.26 120.73 1qhp h ALA 656 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1qhp h ALA 656 Cb 1.28 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1qhp h ALA 656 CO 0.48 -0.51 0.00 -0.40 0.00 0.00 0.00 179.25 178.81 1qhp n ASP 657 N -4.41 1.21 0.00 0.00 5.68 -1.26 -4.91 116.55 112.86 1qhp n ASP 657 Ca 0.10 -1.71 0.00 0.00 -0.50 0.00 0.00 54.79 52.68 1qhp n ASP 657 Cb 0.55 -0.10 0.00 0.00 -1.14 0.00 0.00 41.12 40.43 1qhp n ASP 657 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1qhp n GLY 658 N 1.00 1.43 3.71 6.12 0.00 0.31 -5.05 105.19 112.71 1qhp n GLY 658 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 1qhp n GLY 658 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1qhp n THR 659 N -2.00 2.97 -4.25 2.61 -1.04 -1.26 -4.66 114.28 106.66 1qhp n THR 659 Ca 0.00 -0.50 -0.34 0.00 -2.04 0.00 0.00 64.05 61.17 1qhp n THR 659 Cb 0.00 -1.57 -0.13 0.00 -1.82 0.00 0.00 70.33 66.81 1qhp n THR 659 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1qhp s ILE 660 N -1.25 3.57 -0.32 12.58 -1.09 -1.26 -0.12 121.20 133.31 1qhp s ILE 660 Ca 0.65 -0.45 0.04 0.00 -2.23 0.00 0.00 60.65 58.65 1qhp s ILE 660 Cb -0.47 -2.59 0.09 0.00 -1.58 0.00 0.00 42.46 37.91 1qhp s ILE 660 CO 0.55 0.46 0.01 -1.58 -1.23 0.00 0.00 174.94 173.15 1qhp s GLN 661 N 0.86 1.70 0.59 2.79 0.74 0.20 -4.96 119.66 121.57 1qhp s GLN 661 Ca -0.01 -1.73 -0.16 0.00 0.05 0.00 0.00 55.36 53.50 1qhp s GLN 661 Cb -0.15 -3.13 -0.04 0.00 1.10 0.00 0.00 33.01 30.80 1qhp s GLN 661 CO 0.01 -0.84 1.07 -1.58 -0.55 0.00 0.00 175.29 173.40 1qhp s TRP 662 N 0.96 2.92 0.61 1.67 0.52 -1.26 -0.42 118.94 123.94 1qhp s TRP 662 Ca 0.05 1.53 -0.19 0.00 0.02 0.00 0.00 56.10 57.51 1qhp s TRP 662 Cb -0.19 -3.05 -0.03 0.00 -1.15 0.00 0.00 33.47 29.05 1qhp s TRP 662 CO -0.07 -1.19 1.27 0.39 0.02 0.00 0.00 176.95 177.37 1qhp n GLU 663 N -1.92 1.26 -1.79 4.98 1.02 -0.64 -4.92 120.64 118.63 1qhp n GLU 663 Ca 0.09 0.48 -0.16 0.00 -0.02 0.00 0.00 57.16 57.55 1qhp n GLU 663 Cb 0.53 -2.49 0.09 0.00 -0.02 0.00 0.00 31.44 29.54 1qhp n GLU 663 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1qhp n ASN 664 N -1.46 0.75 -0.06 1.62 3.02 -0.58 -4.97 115.26 113.58 1qhp n ASN 664 Ca 0.14 -1.68 0.00 0.00 -0.03 0.00 0.00 54.58 53.01 1qhp n ASN 664 Cb 0.47 -0.47 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1qhp n ASN 664 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qhp n GLY 665 N -0.19 -0.83 3.87 7.41 0.00 -1.26 -4.67 105.19 109.52 1qhp n GLY 665 Ca 0.11 -1.17 -0.30 0.00 0.00 0.00 0.00 46.02 44.66 1qhp n GLY 665 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qhp s SER 666 N -4.00 6.34 0.57 1.61 0.01 -1.26 -5.02 113.70 111.95 1qhp s SER 666 Ca 0.00 1.30 -0.21 0.00 1.31 0.00 0.00 55.95 58.35 1qhp s SER 666 Cb 0.00 -2.41 -0.04 0.00 0.21 0.00 0.00 66.02 63.78 1qhp s SER 666 CO 0.00 -0.70 1.34 0.20 0.41 0.00 0.00 173.24 174.49 1qhp s ASN 667 N -3.86 5.12 0.27 2.44 0.01 -1.26 -4.97 114.94 112.68 1qhp s ASN 667 Ca 0.53 2.72 -0.29 0.00 -0.71 0.00 0.00 52.86 55.11 1qhp s ASN 667 Cb -0.11 -2.63 -0.09 0.00 0.41 0.00 0.00 41.25 38.83 1qhp s ASN 667 CO 0.45 -1.67 0.97 -1.00 -1.51 0.00 0.00 177.10 174.35 1qhp s HIS 668 N -1.34 3.85 -0.06 2.20 3.76 -0.19 -4.86 115.29 118.67 1qhp s HIS 668 Ca 0.74 1.85 0.05 0.00 -0.15 0.00 0.00 55.06 57.56 1qhp s HIS 668 Cb -0.39 -3.03 -0.01 0.00 1.11 0.00 0.00 32.58 30.26 1qhp s HIS 668 CO 0.45 0.22 -0.21 0.08 -0.85 0.00 0.00 174.74 174.43 1qhp s VAL 669 N -1.26 1.78 0.08 -0.90 1.01 -1.26 -1.35 120.40 118.50 1qhp s VAL 669 Ca 0.44 -0.90 -0.18 0.00 0.00 0.00 0.00 61.98 61.33 1qhp s VAL 669 Cb -0.26 -1.52 0.04 0.00 0.00 0.00 0.00 36.38 34.64 1qhp s VAL 669 CO 0.32 0.50 0.43 0.00 0.00 0.00 0.00 175.10 176.35 1qhp s ALA 670 N 0.01 -1.06 -0.18 5.51 0.00 -0.79 -5.00 121.76 120.25 1qhp s ALA 670 Ca -0.06 0.23 -0.05 0.00 0.00 0.00 0.00 51.96 52.07 1qhp s ALA 670 Cb -0.13 0.51 -0.03 0.00 0.00 0.00 0.00 23.12 23.46 1qhp s ALA 670 CO 0.04 -0.55 0.01 0.99 0.00 0.00 0.00 175.76 176.25 1qhp s THR 671 N -3.04 4.22 0.59 0.00 2.01 -1.26 -0.52 115.64 117.64 1qhp s THR 671 Ca -0.02 -0.23 -0.16 0.00 0.31 0.00 0.00 61.69 61.59 1qhp s THR 671 Cb 0.00 -2.89 -0.04 0.00 0.01 0.00 0.00 72.50 69.58 1qhp s THR 671 CO -0.06 0.45 1.06 0.42 -0.69 0.00 0.00 174.62 175.80 1qhp s THR 672 N 0.62 3.80 0.87 -0.82 -4.23 0.30 -4.91 115.64 111.26 1qhp s THR 672 Ca 0.00 0.87 -0.12 0.00 -1.18 0.00 0.00 61.69 61.26 1qhp s THR 672 Cb -0.14 -3.38 0.08 0.00 1.34 0.00 0.00 72.50 70.40 1qhp s THR 672 CO 0.02 -0.48 0.91 -2.65 -0.54 0.00 0.00 174.62 171.88 1qhp n PRO 673 N -1.96 -0.12 0.04 3.99 -0.02 -1.26 -2.52 135.00 133.15 1qhp n PRO 673 Ca 0.09 0.03 0.11 0.00 -2.02 0.00 0.00 63.50 61.71 1qhp n PRO 673 Cb 0.53 -2.21 -0.08 0.00 -0.02 0.00 0.00 33.50 31.72 1qhp n PRO 673 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1qhp n THR 674 N -3.56 0.25 -1.50 3.45 -2.24 -1.26 -1.11 114.28 108.31 1qhp n THR 674 Ca 0.11 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 1qhp n THR 674 Cb 0.52 -0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.67 1qhp n THR 674 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qhp n GLY 675 N 1.25 0.31 0.31 3.38 0.00 -1.26 -4.79 105.19 104.39 1qhp n GLY 675 Ca -0.02 -1.85 0.02 0.00 0.00 0.00 0.00 46.02 44.17 1qhp n GLY 675 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qhp h ALA 676 N -1.15 1.54 -2.66 4.61 0.00 -1.89 -3.43 119.26 116.29 1qhp h ALA 676 Ca 0.00 -0.08 -0.25 0.00 0.00 0.00 0.00 54.91 54.58 1qhp h ALA 676 Cb 0.00 -0.20 -0.14 0.00 0.00 0.00 0.00 17.79 17.45 1qhp h ALA 676 CO 0.00 0.38 -0.54 0.95 0.00 0.00 0.00 179.25 180.04 1qhp s THR 677 N -5.44 0.00 -0.14 0.00 -4.23 -1.26 -1.30 115.64 103.27 1qhp s THR 677 Ca -0.09 -1.92 0.00 0.00 -1.18 0.00 0.00 61.69 58.50 1qhp s THR 677 Cb 0.17 -2.47 0.00 0.00 1.34 0.00 0.00 72.50 71.54 1qhp s THR 677 CO 0.75 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.44 1qhp n GLY 678 N -0.33 -1.16 3.04 3.99 0.00 -1.05 -4.84 105.19 104.85 1qhp n GLY 678 Ca 0.02 -0.98 -0.19 0.00 0.00 0.00 0.00 46.02 44.87 1qhp n GLY 678 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1qhp s ASN 679 N -0.79 1.17 -0.19 1.61 -0.87 -1.26 -1.04 114.94 113.57 1qhp s ASN 679 Ca 0.00 -0.18 -0.01 0.00 -1.57 0.00 0.00 52.86 51.10 1qhp s ASN 679 Cb 0.00 -0.13 0.05 0.00 -0.02 0.00 0.00 41.25 41.15 1qhp s ASN 679 CO 0.00 0.12 -0.02 -0.63 -2.57 0.00 0.00 177.10 174.00 1qhp s ILE 680 N -0.23 0.99 -0.12 0.60 1.01 -0.11 -4.95 121.20 118.39 1qhp s ILE 680 Ca 0.04 -0.71 0.02 0.00 0.00 0.00 0.00 60.65 60.00 1qhp s ILE 680 Cb -0.04 -1.29 0.01 0.00 0.01 0.00 0.00 42.46 41.15 1qhp s ILE 680 CO -0.00 -0.03 -0.19 -0.89 0.00 0.00 0.00 174.94 173.83 1qhp s THR 681 N 1.66 1.76 0.27 2.92 2.01 -1.26 -1.27 115.64 121.73 1qhp s THR 681 Ca -0.01 -0.81 0.02 0.00 0.31 0.00 0.00 61.69 61.20 1qhp s THR 681 Cb -0.17 -1.57 -0.05 0.00 0.01 0.00 0.00 72.50 70.72 1qhp s THR 681 CO -0.07 0.49 0.10 0.68 -0.69 0.00 0.00 174.62 175.13 1qhp s VAL 682 N 0.84 0.60 -0.10 3.82 -7.23 -0.61 -4.99 120.40 112.73 1qhp s VAL 682 Ca -0.08 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.08 1qhp s VAL 682 Cb -0.15 -2.64 -0.03 0.00 0.56 0.00 0.00 36.38 34.11 1qhp s VAL 682 CO -0.00 0.00 -0.07 -0.89 -0.31 0.00 0.00 175.10 173.83 1qhp s THR 683 N -3.70 3.70 0.19 5.32 2.01 -1.26 -0.69 115.64 121.20 1qhp s THR 683 Ca 0.37 -0.46 -0.33 0.00 0.31 0.00 0.00 61.69 61.58 1qhp s THR 683 Cb 0.08 -2.54 -0.14 0.00 0.01 0.00 0.00 72.50 69.91 1qhp s THR 683 CO 0.14 0.57 1.51 1.87 -0.69 0.00 0.00 174.62 178.02 1qhp n TRP 684 N 2.66 2.23 -3.11 4.92 -0.00 -0.13 -4.84 117.44 119.17 1qhp n TRP 684 Ca -0.18 0.33 -0.41 0.00 -0.00 0.00 0.00 57.50 57.24 1qhp n TRP 684 Cb 0.53 -2.51 -0.07 0.00 -0.00 0.00 0.00 31.31 29.26 1qhp n TRP 684 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 177.69 177.04 1qhp s GLN 685 N 0.42 3.81 0.00 5.87 -0.21 -1.26 -4.94 119.66 123.35 1qhp s GLN 685 Ca 0.75 0.20 0.29 0.00 0.02 0.00 0.00 55.36 56.62 1qhp s GLN 685 Cb -0.67 -3.76 1.24 0.00 1.00 0.00 0.00 33.01 30.82 1qhp s GLN 685 CO 0.42 -0.64 1.85 0.09 -2.12 0.00 0.00 175.29 174.90