#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pan s LYS 3 N 0.00 4.55 0.37 0.00 -0.14 -1.26 -1.69 119.74 121.57 2pan s LYS 3 Ca 0.00 1.82 -0.17 0.00 -1.36 0.00 0.00 55.97 56.27 2pan s LYS 3 Cb 0.00 -3.23 -0.09 0.00 -1.68 0.00 0.00 37.83 32.82 2pan s LYS 3 CO 0.00 0.03 0.82 1.03 -0.76 0.00 0.00 175.35 176.47 2pan s ARG 5 N -0.63 4.06 0.22 1.68 0.52 -1.26 -4.98 118.95 118.56 2pan s ARG 5 Ca 0.50 0.82 -0.08 0.00 -0.52 0.00 0.00 55.73 56.45 2pan s ARG 5 Cb -0.32 -2.33 0.27 0.00 0.52 0.00 0.00 34.95 33.09 2pan s ARG 5 CO 0.38 0.07 1.84 0.00 0.02 0.00 0.00 175.30 177.60 2pan h ALA 6 N 2.03 1.03 -0.03 2.13 0.00 -1.19 -1.79 119.26 121.45 2pan h ALA 6 Ca -0.48 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.37 2pan h ALA 6 Cb 1.18 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2pan h ALA 6 CO 0.64 0.19 -0.25 -0.39 0.00 0.00 0.00 179.25 179.44 2pan h VAL 7 N 0.85 1.19 -0.43 0.00 -1.51 -1.79 -1.39 116.25 113.17 2pan h VAL 7 Ca 0.33 -0.90 -0.11 0.00 -1.23 0.00 0.00 66.70 64.79 2pan h VAL 7 Cb 0.15 1.45 -0.01 0.00 -2.13 0.00 0.00 31.29 30.74 2pan h VAL 7 CO -0.16 0.26 -0.16 0.44 -1.23 0.00 0.00 177.57 176.72 2pan h ASP 8 N 0.04 0.88 -0.38 4.19 3.32 -1.65 -2.83 116.42 119.98 2pan h ASP 8 Ca 0.01 -0.38 -0.04 0.00 0.02 0.00 0.00 57.03 56.63 2pan h ASP 8 Cb 0.46 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 2pan h ASP 8 CO 0.03 1.06 0.11 0.00 -1.72 0.00 0.00 179.24 178.73 2pan h ALA 9 N 0.84 1.35 0.00 3.45 0.00 -1.15 -3.17 119.26 120.58 2pan h ALA 9 Ca 0.10 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2pan h ALA 9 Cb 0.71 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2pan h ALA 9 CO 0.05 0.46 0.00 0.00 0.00 0.00 0.00 179.25 179.77 2pan n ALA 10 N -2.47 1.47 0.00 0.00 0.00 -0.55 -2.10 120.51 116.87 2pan n ALA 10 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2pan n ALA 10 Cb 0.20 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.67 2pan n ALA 10 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2pan n TYR 12 N 0.98 0.00 0.00 0.00 4.02 -1.20 -1.20 117.16 119.76 2pan n TYR 12 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.77 2pan n TYR 12 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.25 2pan n TYR 12 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 2pan h VAL 13 N 0.00 1.13 -0.97 -0.72 2.07 -1.75 -1.35 116.25 114.66 2pan h VAL 13 Ca 0.00 -0.39 0.04 0.00 0.82 0.00 0.00 66.70 67.16 2pan h VAL 13 Cb 0.00 1.29 -0.06 0.00 -1.52 0.00 0.00 31.29 31.01 2pan h VAL 13 CO 0.00 0.11 0.64 -0.07 0.02 0.00 0.00 177.57 178.27 2pan h LEU 14 N -0.06 1.06 -0.10 2.57 3.38 -1.44 -1.00 115.31 119.73 2pan h LEU 14 Ca 0.02 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 2pan h LEU 14 Cb 0.16 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 2pan h LEU 14 CO -0.00 0.73 -0.06 -0.33 0.09 0.00 0.00 178.44 178.87 2pan h GLU 15 N 1.23 0.21 0.00 1.13 5.08 -1.75 -1.13 114.58 119.35 2pan h GLU 15 Ca 0.39 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.65 2pan h GLU 15 Cb -0.00 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 2pan h GLU 15 CO -0.12 0.58 -0.02 0.87 -1.00 0.00 0.00 179.01 179.33 2pan h LYS 16 N -0.17 0.00 -0.23 2.33 1.57 -1.05 -2.05 116.57 116.97 2pan h LYS 16 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2pan h LYS 16 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.84 2pan h LYS 16 CO 0.02 0.02 0.00 0.39 -0.57 0.00 0.00 179.45 179.30 2pan n GLU 17 N -3.16 2.19 0.00 3.15 -0.58 -0.40 -4.94 120.64 116.91 2pan n GLU 17 Ca -0.01 -1.79 0.00 0.00 -0.42 0.00 0.00 57.16 54.94 2pan n GLU 17 Cb 0.19 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.59 2pan n GLU 17 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2pan n GLY 18 N 1.35 0.53 3.71 0.62 0.00 -0.77 -5.03 105.19 105.59 2pan n GLY 18 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 2pan n GLY 18 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pan s ILE 19 N -2.00 4.39 0.00 -0.61 1.01 -0.46 -4.89 121.20 118.63 2pan s ILE 19 Ca 0.00 1.71 0.00 0.00 0.00 0.00 0.00 60.65 62.36 2pan s ILE 19 Cb 0.00 -4.10 0.00 0.00 0.01 0.00 0.00 42.46 38.37 2pan s ILE 19 CO 0.00 0.12 0.12 0.35 0.00 0.00 0.00 174.94 175.53 2pan n THR 20 N 4.00 0.00 -3.99 2.92 -2.24 -1.26 -4.49 114.28 109.22 2pan n THR 20 Ca 0.08 -0.36 -0.10 0.00 -2.27 0.00 0.00 64.05 61.40 2pan n THR 20 Cb 0.48 1.09 -0.11 0.00 -2.10 0.00 0.00 70.33 69.69 2pan n THR 20 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2pan s THR 21 N -0.48 0.19 -0.13 4.28 2.01 -1.26 -1.02 115.64 119.22 2pan s THR 21 Ca 0.00 -0.84 -0.10 0.00 0.31 0.00 0.00 61.69 61.06 2pan s THR 21 Cb 0.00 -0.31 0.04 0.00 0.01 0.00 0.00 72.50 72.24 2pan s THR 21 CO 0.00 -0.42 0.33 0.00 -0.69 0.00 0.00 174.62 173.85 2pan s ALA 22 N -1.28 -0.82 -0.11 7.40 0.00 -0.24 -4.33 121.76 122.38 2pan s ALA 22 Ca -0.13 1.09 0.00 0.00 0.00 0.00 0.00 51.96 52.93 2pan s ALA 22 Cb -0.09 -0.66 -0.02 0.00 0.00 0.00 0.00 23.12 22.36 2pan s ALA 22 CO -0.01 -0.19 -0.12 -0.06 0.00 0.00 0.00 175.76 175.38 2pan s PHE 23 N 0.70 2.82 0.09 0.00 0.40 -0.25 -0.75 117.98 120.98 2pan s PHE 23 Ca -0.04 -0.47 -0.19 0.00 -0.60 0.00 0.00 56.93 55.63 2pan s PHE 23 Cb -0.05 -1.80 0.06 0.00 0.51 0.00 0.00 43.02 41.74 2pan s PHE 23 CO -0.05 -0.08 0.88 0.41 0.70 0.00 0.00 175.22 177.08 2pan n GLY 24 N 3.20 0.59 2.68 4.36 0.00 -0.79 -0.75 105.19 114.47 2pan n GLY 24 Ca -0.18 -1.06 -0.25 0.00 0.00 0.00 0.00 46.02 44.53 2pan n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pan s VAL 25 N -2.12 0.15 0.89 1.61 1.01 -0.54 -1.93 120.40 119.47 2pan s VAL 25 Ca 0.20 -0.12 -0.12 0.00 0.00 0.00 0.00 61.98 61.94 2pan s VAL 25 Cb -0.02 -0.62 0.12 0.00 0.00 0.00 0.00 36.38 35.87 2pan s VAL 25 CO 0.03 -0.09 1.10 -2.16 0.00 0.00 0.00 175.10 173.98 2pan s PRO 26 N 2.04 1.33 0.10 2.72 0.04 -1.26 -3.86 135.00 136.10 2pan s PRO 26 Ca 0.02 0.58 -0.26 0.00 0.04 0.00 0.00 61.00 61.38 2pan s PRO 26 Cb -0.15 -1.84 0.08 0.00 0.04 0.00 0.00 34.50 32.63 2pan s PRO 26 CO -0.07 -2.13 0.91 0.20 0.04 0.00 0.00 177.00 175.94 2pan s GLY 27 N -3.72 -0.33 0.23 0.56 0.00 -1.26 -4.78 107.32 98.01 2pan s GLY 27 Ca 0.63 0.45 -0.06 0.00 0.00 0.00 0.00 44.72 45.74 2pan s GLY 27 CO 0.55 0.13 1.82 0.00 0.00 0.00 0.00 173.10 175.61 2pan h ALA 28 N 2.00 1.10 0.00 3.20 0.00 -2.00 -1.37 119.26 122.20 2pan h ALA 28 Ca -0.24 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 2pan h ALA 28 Cb 1.24 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 2pan h ALA 28 CO 0.28 0.15 -0.04 0.00 0.00 0.00 0.00 179.25 179.65 2pan h ALA 29 N 1.41 1.04 -0.23 0.00 0.00 -1.96 -2.87 119.26 116.64 2pan h ALA 29 Ca 0.36 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.24 2pan h ALA 29 Cb 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2pan h ALA 29 CO -0.20 0.04 0.00 1.51 0.00 0.00 0.00 179.25 180.60 2pan n ILE 30 N -3.19 0.90 -0.32 0.00 0.13 -0.77 -4.02 119.36 112.10 2pan n ILE 30 Ca -0.01 -0.95 0.01 0.00 -1.10 0.00 0.00 62.75 60.70 2pan n ILE 30 Cb 0.25 0.56 0.15 0.00 -0.84 0.00 0.00 39.64 39.76 2pan n ILE 30 CO 0.00 0.00 0.00 0.78 2.80 0.00 0.00 176.55 180.13 2pan h ASN 31 N 1.49 0.88 -0.88 9.51 2.35 -1.04 -2.64 115.58 125.24 2pan h ASN 31 Ca 0.00 0.01 0.05 0.00 -0.55 0.00 0.00 56.30 55.82 2pan h ASN 31 Cb 0.64 -0.17 -0.05 0.00 0.05 0.00 0.00 38.32 38.78 2pan h ASN 31 CO 0.00 0.57 0.58 -0.65 -1.65 0.00 0.00 177.43 176.27 2pan h PRO 32 N 1.02 1.01 -0.01 0.81 0.11 -1.85 0.82 132.00 133.91 2pan h PRO 32 Ca 0.38 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.43 2pan h PRO 32 Cb 0.16 -0.23 -0.00 0.00 0.11 0.00 0.00 31.00 31.04 2pan h PRO 32 CO -0.17 0.67 0.01 0.35 -0.21 0.00 0.00 178.00 178.65 2pan h PHE 33 N 1.04 0.02 -0.70 0.65 3.57 -1.83 -1.51 116.94 118.17 2pan h PHE 33 Ca 0.37 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.90 2pan h PHE 33 Cb 0.13 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 38.82 2pan h PHE 33 CO -0.00 0.06 0.46 1.88 -2.23 0.00 0.00 178.31 178.48 2pan h TYR 34 N -0.02 0.82 -0.43 0.41 -1.99 -1.17 -2.37 116.97 112.22 2pan h TYR 34 Ca 0.01 0.02 -0.03 0.00 2.00 0.00 0.00 58.73 60.73 2pan h TYR 34 Cb 0.04 -0.28 -0.02 0.00 2.00 0.00 0.00 36.73 38.48 2pan h TYR 34 CO -0.06 0.49 0.17 1.03 -0.00 0.00 0.00 178.16 179.78 2pan h SER 35 N 0.86 0.60 0.00 3.88 0.87 -0.62 -2.05 113.55 117.09 2pan h SER 35 Ca 0.28 -0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 2pan h SER 35 Cb 0.04 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 61.85 2pan h SER 35 CO -0.08 0.61 0.00 0.00 -0.53 0.00 0.00 176.83 176.83 2pan n ALA 36 N -2.32 1.78 0.00 6.23 0.00 -0.59 -1.80 120.51 123.82 2pan n ALA 36 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2pan n ALA 36 Cb 0.15 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.60 2pan n ALA 36 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2pan n ARG 38 N 0.76 0.00 -0.22 0.00 0.63 -0.77 -1.28 116.66 115.78 2pan n ARG 38 Ca 0.00 0.00 -0.03 0.00 -0.92 0.00 0.00 57.85 56.90 2pan n ARG 38 Cb 0.15 0.00 0.15 0.00 0.45 0.00 0.00 32.46 33.21 2pan n ARG 38 CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 2pan h LYS 39 N 0.00 1.03 0.25 -0.14 3.64 -1.63 -3.23 116.57 116.49 2pan h LYS 39 Ca 0.00 -0.16 -0.33 0.00 -1.27 0.00 0.00 60.65 58.89 2pan h LYS 39 Cb 0.00 -0.18 0.04 0.00 -0.41 0.00 0.00 32.23 31.68 2pan h LYS 39 CO 0.00 0.82 -1.47 1.25 -2.27 0.00 0.00 179.45 177.78 2pan h HIS 40 N 1.01 0.95 -1.00 1.91 2.76 -1.45 -3.50 115.15 115.83 2pan h HIS 40 Ca 0.24 -0.69 0.12 0.00 -2.20 0.00 0.00 60.37 57.83 2pan h HIS 40 Cb 0.16 -0.04 -0.04 0.00 1.55 0.00 0.00 27.41 29.05 2pan h HIS 40 CO 0.01 1.54 -0.22 0.41 -1.30 0.00 0.00 177.93 178.38 2pan n GLY 41 N 1.70 -1.81 1.21 5.26 0.00 -1.22 -4.98 105.19 105.35 2pan n GLY 41 Ca -0.16 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.46 2pan n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pan n GLY 42 N -2.51 1.18 3.25 -0.02 0.00 -1.26 -4.98 105.19 100.83 2pan n GLY 42 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2pan n GLY 42 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pan s ILE 43 N -2.43 2.51 -0.27 -0.61 1.01 -1.26 -4.58 121.20 115.56 2pan s ILE 43 Ca 0.00 -0.83 -0.24 0.00 0.00 0.00 0.00 60.65 59.58 2pan s ILE 43 Cb 0.00 -2.04 -0.00 0.00 0.01 0.00 0.00 42.46 40.43 2pan s ILE 43 CO 0.00 0.53 0.82 -0.60 0.00 0.00 0.00 174.94 175.69 2pan s ARG 44 N 0.76 4.08 -0.20 2.79 3.52 -0.19 -4.93 118.95 124.78 2pan s ARG 44 Ca -0.07 0.79 -0.14 0.00 -0.13 0.00 0.00 55.73 56.19 2pan s ARG 44 Cb -0.16 -3.68 -0.04 0.00 -1.56 0.00 0.00 34.95 29.51 2pan s ARG 44 CO 0.00 -0.60 0.30 -1.58 -0.81 0.00 0.00 175.30 172.61 2pan s HIS 45 N 2.93 3.38 -0.24 5.12 5.65 -1.26 -1.08 115.29 129.78 2pan s HIS 45 Ca 0.34 0.49 -0.09 0.00 0.25 0.00 0.00 55.06 56.05 2pan s HIS 45 Cb -0.15 -2.40 -0.04 0.00 -1.18 0.00 0.00 32.58 28.82 2pan s HIS 45 CO 0.10 0.08 0.11 0.42 -0.65 0.00 0.00 174.74 174.79 2pan s ILE 46 N 1.02 4.76 -0.26 0.89 -1.09 0.07 -4.99 121.20 121.60 2pan s ILE 46 Ca 0.15 -0.02 -0.29 0.00 -2.23 0.00 0.00 60.65 58.25 2pan s ILE 46 Cb -0.14 -3.22 0.01 0.00 -1.58 0.00 0.00 42.46 37.53 2pan s ILE 46 CO 0.06 0.34 1.09 -0.22 -1.23 0.00 0.00 174.94 174.97 2pan s LEU 47 N 1.38 4.04 0.69 2.97 2.96 -1.26 -1.89 118.68 127.56 2pan s LEU 47 Ca 0.06 1.28 -0.08 0.00 -0.22 0.00 0.00 54.13 55.17 2pan s LEU 47 Cb -0.15 -3.54 0.05 0.00 0.50 0.00 0.00 46.19 43.05 2pan s LEU 47 CO 0.05 -0.78 1.02 0.00 -1.32 0.00 0.00 176.35 175.32 2pan s ALA 48 N 3.45 3.10 -0.19 5.97 0.00 -0.81 -4.84 121.76 128.44 2pan s ALA 48 Ca 0.46 -0.78 0.16 0.00 0.00 0.00 0.00 51.96 51.81 2pan s ALA 48 Cb -0.15 -2.69 0.36 0.00 0.00 0.00 0.00 23.12 20.64 2pan s ALA 48 CO 0.11 -1.22 1.25 0.54 0.00 0.00 0.00 175.76 176.44 2pan n ARG 49 N -2.90 2.14 -3.64 0.00 1.74 -1.26 -4.86 116.66 107.88 2pan n ARG 49 Ca 0.07 -2.56 -0.09 0.00 -0.77 0.00 0.00 57.85 54.50 2pan n ARG 49 Cb 0.60 -1.58 -0.07 0.00 -1.02 0.00 0.00 32.46 30.39 2pan n ARG 49 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 2pan s HIS 50 N -2.59 -0.54 0.26 -1.55 2.46 -1.26 -4.89 115.29 107.18 2pan s HIS 50 Ca 0.33 1.27 -0.05 0.00 0.47 0.00 0.00 55.06 57.08 2pan s HIS 50 Cb 0.27 0.36 0.31 0.00 -0.13 0.00 0.00 32.58 33.39 2pan s HIS 50 CO 0.06 -0.26 1.93 0.28 -2.47 0.00 0.00 174.74 174.27 2pan h VAL 51 N 3.85 1.22 -0.99 0.89 2.07 -1.91 -0.10 116.25 121.28 2pan h VAL 51 Ca -0.28 -0.45 0.11 0.00 0.82 0.00 0.00 66.70 66.90 2pan h VAL 51 Cb 1.18 -0.20 -0.08 0.00 -1.52 0.00 0.00 31.29 30.67 2pan h VAL 51 CO 0.11 0.24 0.63 -0.08 0.02 0.00 0.00 177.57 178.49 2pan h GLU 52 N 1.31 0.97 -0.35 1.57 4.81 -1.92 -0.83 114.58 120.13 2pan h GLU 52 Ca 0.38 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.56 2pan h GLU 52 Cb -0.09 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.05 2pan h GLU 52 CO -0.10 0.64 0.20 0.78 -0.73 0.00 0.00 179.01 179.80 2pan h GLY 53 N 1.00 0.48 1.17 1.92 0.00 -1.39 -1.78 103.07 104.47 2pan h GLY 53 Ca 0.48 -0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.66 2pan h GLY 53 CO -0.24 0.13 0.51 0.00 0.00 0.00 0.00 176.54 176.94 2pan h ALA 54 N 1.16 1.35 -0.22 3.60 0.00 -0.53 -2.95 119.26 121.67 2pan h ALA 54 Ca 0.14 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2pan h ALA 54 Cb 0.01 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 2pan h ALA 54 CO -0.07 0.57 0.10 0.77 0.00 0.00 0.00 179.25 180.63 2pan h SER 55 N 1.13 0.28 0.00 0.00 0.02 -0.78 -2.37 113.55 111.84 2pan h SER 55 Ca 0.30 -0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 61.12 2pan h SER 55 Cb -0.07 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.39 2pan h SER 55 CO -0.06 0.33 -0.01 1.41 -1.14 0.00 0.00 176.83 177.36 2pan n HIS 56 N -4.85 0.00 0.00 3.45 8.25 -0.70 -2.28 115.22 119.09 2pan n HIS 56 Ca -0.03 -0.84 0.00 0.00 -0.26 0.00 0.00 57.72 56.58 2pan n HIS 56 Cb 0.10 -0.49 0.00 0.00 1.12 0.00 0.00 29.99 30.72 2pan n HIS 56 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2pan n ALA 58 N 1.62 0.00 -0.06 -1.41 0.00 -0.89 -1.93 120.51 117.84 2pan n ALA 58 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.35 2pan n ALA 58 Cb 0.43 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.84 2pan n ALA 58 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2pan h GLU 59 N 0.00 0.30 -0.69 0.00 5.08 -1.75 -1.60 114.58 115.93 2pan h GLU 59 Ca 0.00 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2pan h GLU 59 Cb 0.00 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 2pan h GLU 59 CO 0.00 0.27 0.42 0.78 -1.00 0.00 0.00 179.01 179.48 2pan h GLY 60 N 0.25 1.00 0.70 -3.84 0.00 -1.60 -1.12 103.07 98.47 2pan h GLY 60 Ca 0.08 -0.42 0.06 0.00 0.00 0.00 0.00 47.33 47.05 2pan h GLY 60 CO -0.01 0.40 0.41 -1.82 0.00 0.00 0.00 176.54 175.52 2pan h TYR 61 N 0.94 0.75 -0.05 5.60 3.20 -1.57 -1.66 116.97 124.18 2pan h TYR 61 Ca 0.25 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.14 2pan h TYR 61 Cb -0.03 -0.23 -0.00 0.00 1.54 0.00 0.00 36.73 38.00 2pan h TYR 61 CO -0.01 0.37 -0.00 1.15 -1.64 0.00 0.00 178.16 178.02 2pan h THR 62 N 0.75 1.26 0.00 1.81 2.02 -0.97 -3.22 112.91 114.56 2pan h THR 62 Ca 0.31 -0.78 0.00 0.00 0.77 0.00 0.00 66.41 66.71 2pan h THR 62 Cb 0.17 1.69 0.00 0.00 -1.74 0.00 0.00 68.15 68.27 2pan h THR 62 CO -0.17 0.21 0.00 0.03 0.37 0.00 0.00 175.52 175.96 2pan h ARG 63 N -0.22 0.00 -0.40 6.66 3.08 -0.97 -3.24 114.38 119.29 2pan h ARG 63 Ca 0.01 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.97 2pan h ARG 63 Cb 0.34 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 2pan h ARG 63 CO 0.00 0.00 -0.12 0.00 -1.07 0.00 0.00 179.97 178.78 2pan h ALA 64 N 2.12 0.56 -3.05 0.04 0.00 -1.32 -3.46 119.26 114.15 2pan h ALA 64 Ca 0.00 -0.33 -0.17 0.00 0.00 0.00 0.00 54.91 54.41 2pan h ALA 64 Cb 0.37 -0.14 -0.23 0.00 0.00 0.00 0.00 17.79 17.79 2pan h ALA 64 CO 0.00 0.45 -0.51 0.99 0.00 0.00 0.00 179.25 180.18 2pan s THR 65 N -4.75 0.04 0.21 0.00 2.01 -1.22 -4.90 115.64 107.03 2pan s THR 65 Ca -0.12 -0.35 -0.11 0.00 0.31 0.00 0.00 61.69 61.41 2pan s THR 65 Cb 0.10 -0.33 0.17 0.00 0.01 0.00 0.00 72.50 72.45 2pan s THR 65 CO 0.82 -0.19 1.68 0.00 -0.69 0.00 0.00 174.62 176.24 2pan h ALA 66 N 5.08 0.60 -0.01 7.40 0.00 -1.90 -1.88 119.26 128.56 2pan h ALA 66 Ca -0.28 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2pan h ALA 66 Cb 1.20 0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.25 2pan h ALA 66 CO 0.41 -0.37 -0.04 0.41 0.00 0.00 0.00 179.25 179.65 2pan n GLY 67 N -1.34 -0.42 3.76 0.00 0.00 -1.26 -4.96 105.19 100.96 2pan n GLY 67 Ca 0.08 -0.36 -0.41 0.00 0.00 0.00 0.00 46.02 45.33 2pan n GLY 67 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2pan s ASN 68 N -2.12 7.04 -0.28 1.61 -0.87 -0.71 -5.03 114.94 114.59 2pan s ASN 68 Ca 0.37 2.41 -0.00 0.00 -1.57 0.00 0.00 52.86 54.08 2pan s ASN 68 Cb 0.21 -2.63 0.08 0.00 -0.02 0.00 0.00 41.25 38.89 2pan s ASN 68 CO 0.38 -0.35 0.04 -0.63 -2.57 0.00 0.00 177.10 173.98 2pan s ILE 69 N -0.84 1.19 0.33 0.60 1.01 -1.26 -4.59 121.20 117.63 2pan s ILE 69 Ca 0.49 -1.37 -0.29 0.00 0.00 0.00 0.00 60.65 59.48 2pan s ILE 69 Cb -0.35 -1.75 -0.10 0.00 0.01 0.00 0.00 42.46 40.27 2pan s ILE 69 CO 0.44 -0.45 1.26 -0.83 0.00 0.00 0.00 174.94 175.36 2pan s GLY 70 N 1.50 3.01 -0.09 6.18 0.00 -1.25 -4.86 107.32 111.80 2pan s GLY 70 Ca 0.04 1.18 0.03 0.00 0.00 0.00 0.00 44.72 45.98 2pan s GLY 70 CO -0.15 1.82 -0.19 0.14 0.00 0.00 0.00 173.10 174.72 2pan s VAL 71 N -1.16 2.58 -0.15 1.40 1.01 -1.26 -1.28 120.40 121.54 2pan s VAL 71 Ca 0.48 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.62 2pan s VAL 71 Cb -0.38 -2.01 0.02 0.00 0.00 0.00 0.00 36.38 34.00 2pan s VAL 71 CO 0.50 0.56 -0.19 0.00 0.00 0.00 0.00 175.10 175.96 2pan s LEU 73 N 1.09 2.55 0.28 0.00 1.02 0.07 -0.57 118.68 123.11 2pan s LEU 73 Ca -0.01 -0.34 -0.12 0.00 0.02 0.00 0.00 54.13 53.68 2pan s LEU 73 Cb -0.14 -1.53 0.01 0.00 0.02 0.00 0.00 46.19 44.55 2pan s LEU 73 CO -0.07 0.24 0.54 -0.83 0.02 0.00 0.00 176.35 176.25 2pan s GLY 74 N -0.12 0.60 0.00 -3.19 0.00 -0.61 -1.47 107.32 102.52 2pan s GLY 74 Ca -0.02 -0.90 0.00 0.00 0.00 0.00 0.00 44.72 43.79 2pan s GLY 74 CO 0.04 -0.59 0.00 -0.37 0.00 0.00 0.00 173.10 172.18 2pan n THR 75 N -0.44 0.00 -1.71 0.90 5.66 -1.25 -1.59 114.28 115.85 2pan n THR 75 Ca -0.02 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.68 2pan n THR 75 Cb 0.61 -1.56 0.21 0.00 -1.55 0.00 0.00 70.33 68.04 2pan n THR 75 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 2pan s SER 76 N -1.00 2.32 1.81 1.09 1.04 -1.19 -3.47 113.70 114.31 2pan s SER 76 Ca 0.00 0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.71 2pan s SER 76 Cb 0.00 -0.31 0.00 0.00 0.10 0.00 0.00 66.02 65.81 2pan s SER 76 CO 0.00 -3.23 0.00 0.61 0.98 0.00 0.00 173.24 171.60 2pan n GLY 77 N -3.07 3.72 0.12 7.32 0.00 -0.39 -3.04 105.19 109.84 2pan n GLY 77 Ca 0.16 0.07 0.12 0.00 0.00 0.00 0.00 46.02 46.37 2pan n GLY 77 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2pan n PRO 78 N 12.13 0.20 -0.16 1.61 -0.04 -1.26 -2.25 135.00 145.22 2pan n PRO 78 Ca 0.00 0.38 -0.09 0.00 -0.04 0.00 0.00 63.50 63.75 2pan n PRO 78 Cb 0.00 -1.85 -0.00 0.00 -0.04 0.00 0.00 33.50 31.61 2pan n PRO 78 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2pan h ALA 79 N 2.32 0.61 -0.59 0.55 0.00 -1.76 -1.96 119.26 118.42 2pan h ALA 79 Ca 0.00 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 2pan h ALA 79 Cb 0.42 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2pan h ALA 79 CO 0.00 0.32 0.03 0.78 0.00 0.00 0.00 179.25 180.39 2pan h GLY 80 N 0.62 1.07 2.00 0.00 0.00 -1.61 -2.74 103.07 102.41 2pan h GLY 80 Ca 0.14 -0.74 0.00 0.00 0.00 0.00 0.00 47.33 46.73 2pan h GLY 80 CO 0.01 0.68 0.00 -0.91 0.00 0.00 0.00 176.54 176.32 2pan h THR 81 N 0.92 0.00 -0.16 4.70 1.35 -1.48 -3.30 112.91 114.94 2pan h THR 81 Ca 0.17 -0.57 -0.17 0.00 -0.55 0.00 0.00 66.41 65.29 2pan h THR 81 Cb 0.49 1.52 -0.06 0.00 -1.73 0.00 0.00 68.15 68.37 2pan h THR 81 CO 0.02 0.00 -0.09 0.47 -0.25 0.00 0.00 175.52 175.68 2pan n ASP 82 N -2.82 5.53 0.00 5.36 8.00 -0.74 -4.72 116.55 127.16 2pan n ASP 82 Ca 0.02 -2.59 0.00 0.00 0.71 0.00 0.00 54.79 52.93 2pan n ASP 82 Cb 0.36 -1.26 0.00 0.00 -0.02 0.00 0.00 41.12 40.20 2pan n ASP 82 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2pan n ILE 84 N 1.75 0.00 -0.35 0.53 2.08 -1.25 -3.71 119.36 118.42 2pan n ILE 84 Ca 0.27 0.00 -0.01 0.00 0.56 0.00 0.00 62.75 63.56 2pan n ILE 84 Cb 0.69 0.00 0.11 0.00 -0.75 0.00 0.00 39.64 39.70 2pan n ILE 84 CO 0.00 0.00 0.00 0.74 0.56 0.00 0.00 176.55 177.85 2pan h THR 85 N 0.00 1.19 -0.19 1.39 2.02 -1.94 -0.92 112.91 114.46 2pan h THR 85 Ca 0.00 -0.42 -0.21 0.00 0.77 0.00 0.00 66.41 66.55 2pan h THR 85 Cb 0.00 -0.13 0.01 0.00 -1.74 0.00 0.00 68.15 66.28 2pan h THR 85 CO 0.00 0.22 -0.69 0.00 0.37 0.00 0.00 175.52 175.43 2pan h ALA 86 N 1.37 0.34 -0.84 6.16 0.00 -1.94 -1.07 119.26 123.27 2pan h ALA 86 Ca 0.36 -0.57 0.03 0.00 0.00 0.00 0.00 54.91 54.73 2pan h ALA 86 Cb -0.06 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 2pan h ALA 86 CO -0.10 0.65 0.54 -0.07 0.00 0.00 0.00 179.25 180.27 2pan h LEU 87 N 0.54 0.91 0.17 0.00 3.38 -1.81 0.48 115.31 118.99 2pan h LEU 87 Ca -0.03 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2pan h LEU 87 Cb 1.31 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.86 2pan h LEU 87 CO 0.15 0.64 -0.08 0.22 0.09 0.00 0.00 178.44 179.45 2pan h TYR 88 N 1.07 -0.21 -0.53 1.13 3.20 -1.08 -0.88 116.97 119.67 2pan h TYR 88 Ca 0.33 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.27 2pan h TYR 88 Cb -0.03 0.07 -0.06 0.00 1.54 0.00 0.00 36.73 38.25 2pan h TYR 88 CO -0.02 -0.08 0.19 1.03 -1.64 0.00 0.00 178.16 177.64 2pan h SER 89 N -0.29 0.19 -0.22 -2.11 0.87 -0.84 0.12 113.55 111.27 2pan h SER 89 Ca -0.02 0.06 -0.07 0.00 -1.23 0.00 0.00 61.79 60.53 2pan h SER 89 Cb 0.23 0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.23 2pan h SER 89 CO 0.04 0.13 -0.14 0.00 -0.53 0.00 0.00 176.83 176.33 2pan h ALA 90 N 1.36 0.32 -0.10 6.23 0.00 -0.87 -2.57 119.26 123.62 2pan h ALA 90 Ca 0.26 -0.32 0.04 0.00 0.00 0.00 0.00 54.91 54.89 2pan h ALA 90 Cb 0.28 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 2pan h ALA 90 CO -0.26 0.20 -0.16 0.77 0.00 0.00 0.00 179.25 179.80 2pan h SER 91 N 0.19 -0.48 -0.79 0.00 0.02 -0.92 -0.54 113.55 111.03 2pan h SER 91 Ca 0.05 0.09 0.10 0.00 -0.84 0.00 0.00 61.79 61.18 2pan h SER 91 Cb 0.66 0.22 -0.05 0.00 0.14 0.00 0.00 62.40 63.37 2pan h SER 91 CO 0.04 -0.21 0.52 0.00 -1.14 0.00 0.00 176.83 176.04 2pan h ALA 92 N 0.82 1.77 -0.64 3.77 0.00 -0.67 -1.72 119.26 122.59 2pan h ALA 92 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2pan h ALA 92 Cb 0.33 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2pan h ALA 92 CO -0.23 0.06 0.00 -0.25 0.00 0.00 0.00 179.25 178.83 2pan n ASP 93 N -4.51 4.79 -3.60 0.00 8.00 -0.98 -4.85 116.55 115.41 2pan n ASP 93 Ca 0.13 -2.48 -0.23 0.00 0.71 0.00 0.00 54.79 52.93 2pan n ASP 93 Cb 0.33 -0.58 0.07 0.00 -0.02 0.00 0.00 41.12 40.93 2pan n ASP 93 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2pan n SER 94 N 1.07 -4.92 -4.13 -2.24 7.64 -0.65 -5.01 113.62 105.38 2pan n SER 94 Ca 0.26 -0.60 -0.22 0.00 1.01 0.00 0.00 58.87 59.32 2pan n SER 94 Cb 0.90 -4.88 -0.14 0.00 -1.01 0.00 0.00 64.21 59.07 2pan n SER 94 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2pan s ILE 95 N -3.34 1.15 0.08 0.44 -1.09 -0.26 -4.21 121.20 113.96 2pan s ILE 95 Ca 0.43 -0.77 -0.14 0.00 -2.23 0.00 0.00 60.65 57.94 2pan s ILE 95 Cb -0.19 -0.99 -0.06 0.00 -1.58 0.00 0.00 42.46 39.64 2pan s ILE 95 CO 0.75 0.21 0.47 -2.16 -1.23 0.00 0.00 174.94 172.97 2pan s PRO 96 N -0.64 3.92 0.13 2.79 0.04 -1.26 -3.46 135.00 136.52 2pan s PRO 96 Ca 0.04 0.40 0.05 0.00 0.04 0.00 0.00 61.00 61.53 2pan s PRO 96 Cb -0.06 -3.06 -0.04 0.00 0.04 0.00 0.00 34.50 31.37 2pan s PRO 96 CO 0.00 0.58 -0.12 0.96 0.04 0.00 0.00 177.00 178.46 2pan s ILE 97 N -1.30 1.23 -0.31 0.56 -4.36 -1.26 -4.45 121.20 111.30 2pan s ILE 97 Ca 0.32 -1.85 -0.05 0.00 -0.26 0.00 0.00 60.65 58.80 2pan s ILE 97 Cb -0.16 -1.64 0.03 0.00 1.25 0.00 0.00 42.46 41.95 2pan s ILE 97 CO 0.17 -0.57 0.06 -0.22 0.24 0.00 0.00 174.94 174.62 2pan s LEU 98 N -2.76 4.02 -0.15 0.37 2.96 -0.40 -1.58 118.68 121.14 2pan s LEU 98 Ca 0.12 -1.04 -0.13 0.00 -0.22 0.00 0.00 54.13 52.85 2pan s LEU 98 Cb -0.02 -1.82 -0.05 0.00 0.50 0.00 0.00 46.19 44.81 2pan s LEU 98 CO 0.02 -0.26 0.28 0.00 -1.32 0.00 0.00 176.35 175.06 2pan s ILE 100 N 0.27 1.54 0.07 0.00 1.01 0.26 -0.18 121.20 124.18 2pan s ILE 100 Ca 0.16 -0.64 0.09 0.00 0.00 0.00 0.00 60.65 60.27 2pan s ILE 100 Cb -0.13 -1.43 -0.03 0.00 0.01 0.00 0.00 42.46 40.88 2pan s ILE 100 CO 0.04 0.45 -0.24 0.42 0.00 0.00 0.00 174.94 175.61 2pan s THR 101 N 1.27 2.34 0.90 2.92 -4.23 -0.20 -1.58 115.64 117.05 2pan s THR 101 Ca -0.00 -1.44 -0.12 0.00 -1.18 0.00 0.00 61.69 58.94 2pan s THR 101 Cb -0.14 -1.96 0.13 0.00 1.34 0.00 0.00 72.50 71.87 2pan s THR 101 CO -0.07 0.28 1.12 -0.83 -0.54 0.00 0.00 174.62 174.58 2pan s GLY 102 N -1.52 1.59 -0.02 3.99 0.00 -0.62 -0.70 107.32 110.03 2pan s GLY 102 Ca 0.13 -0.40 -0.29 0.00 0.00 0.00 0.00 44.72 44.16 2pan s GLY 102 CO 0.04 0.13 0.73 1.62 0.00 0.00 0.00 173.10 175.62 2pan s GLN 103 N -5.18 1.01 0.83 2.90 2.00 -0.74 -3.14 119.66 117.33 2pan s GLN 103 Ca 0.63 0.03 -0.11 0.00 -2.00 0.00 0.00 55.36 53.92 2pan s GLN 103 Cb -0.15 0.47 0.09 0.00 0.80 0.00 0.00 33.01 34.22 2pan s GLN 103 CO 0.54 -0.36 1.13 0.00 -0.50 0.00 0.00 175.29 176.11 2pan s ALA 104 N -1.90 1.88 0.74 1.58 0.00 -1.26 -0.30 121.76 122.49 2pan s ALA 104 Ca -0.05 0.50 -0.15 0.00 0.00 0.00 0.00 51.96 52.25 2pan s ALA 104 Cb -0.00 -3.38 0.02 0.00 0.00 0.00 0.00 23.12 19.75 2pan s ALA 104 CO 0.02 -2.23 0.97 -2.30 0.00 0.00 0.00 175.76 172.22 2pan n PRO 105 N -3.73 0.43 -0.36 0.00 -0.02 -1.26 -4.05 135.00 126.01 2pan n PRO 105 Ca 0.11 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 2pan n PRO 105 Cb 0.52 -2.23 0.15 0.00 -0.02 0.00 0.00 33.50 31.91 2pan n PRO 105 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2pan h ARG 106 N -0.39 1.23 0.00 -0.52 3.08 -1.93 -1.98 114.38 113.88 2pan h ARG 106 Ca -0.47 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.51 2pan h ARG 106 Cb 1.33 -0.28 0.00 0.00 0.08 0.00 0.00 29.97 31.10 2pan h ARG 106 CO 0.46 0.82 0.00 0.00 -1.07 0.00 0.00 179.97 180.18 2pan h ALA 107 N 1.42 1.00 -0.07 0.04 0.00 -2.04 -2.87 119.26 116.75 2pan h ALA 107 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.30 2pan h ALA 107 Cb -0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2pan h ALA 107 CO -0.11 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.68 2pan n ARG 108 N -3.07 2.89 0.28 0.00 1.74 -0.76 -4.70 116.66 113.04 2pan n ARG 108 Ca -0.03 -1.67 0.15 0.00 -0.77 0.00 0.00 57.85 55.53 2pan n ARG 108 Cb 0.08 -1.08 0.82 0.00 -1.02 0.00 0.00 32.46 31.27 2pan n ARG 108 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2pan h LEU 109 N 0.39 0.00 -0.93 0.55 3.38 -1.35 -2.99 115.31 114.36 2pan h LEU 109 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2pan h LEU 109 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 2pan h LEU 109 CO 0.00 0.07 -0.14 1.41 0.09 0.00 0.00 178.44 179.88 2pan n HIS 110 N -3.53 0.00 -2.39 1.13 8.25 -1.26 -4.86 115.22 112.55 2pan n HIS 110 Ca -0.02 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.13 2pan n HIS 110 Cb 0.20 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.29 2pan n HIS 110 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2pan s LYS 111 N -1.16 3.78 -1.45 -0.41 -0.14 -1.13 -4.96 119.74 114.27 2pan s LYS 111 Ca 0.09 0.71 -0.11 0.00 -1.36 0.00 0.00 55.97 55.31 2pan s LYS 111 Cb 0.08 -2.20 0.04 0.00 -1.68 0.00 0.00 37.83 34.07 2pan s LYS 111 CO 0.20 -0.29 2.38 0.39 -0.76 0.00 0.00 175.35 177.27 2pan n GLU 112 N -1.88 3.52 -2.07 1.68 1.02 -1.26 -4.94 120.64 116.70 2pan n GLU 112 Ca 0.05 -2.83 -0.40 0.00 -0.02 0.00 0.00 57.16 53.96 2pan n GLU 112 Cb 0.54 -2.98 -0.01 0.00 -0.02 0.00 0.00 31.44 28.97 2pan n GLU 112 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2pan s ASP 113 N 1.97 6.61 -0.10 1.62 3.68 -1.26 -4.85 116.67 124.34 2pan s ASP 113 Ca 0.53 2.71 -0.39 0.00 2.13 0.00 0.00 52.55 57.52 2pan s ASP 113 Cb 0.15 -2.65 -0.17 0.00 -1.45 0.00 0.00 42.92 38.80 2pan s ASP 113 CO -0.06 -0.65 1.46 0.33 0.13 0.00 0.00 175.17 176.38 2pan n PHE 114 N 0.58 1.59 -2.99 -5.34 7.35 -1.26 -1.35 117.46 116.04 2pan n PHE 114 Ca 0.01 0.72 -0.22 0.00 -0.76 0.00 0.00 57.45 57.20 2pan n PHE 114 Cb 0.42 -2.33 0.02 0.00 0.35 0.00 0.00 39.48 37.95 2pan n PHE 114 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 2pan n GLN 115 N 3.45 -4.26 -3.72 -4.13 6.02 -1.26 -4.91 117.38 108.58 2pan n GLN 115 Ca 0.23 0.84 -0.37 0.00 -0.01 0.00 0.00 57.00 57.68 2pan n GLN 115 Cb 0.13 -5.66 -0.12 0.00 1.02 0.00 0.00 30.24 25.61 2pan n GLN 115 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2pan s ALA 116 N -3.11 3.19 0.08 -1.58 0.00 -0.45 -1.27 121.76 118.62 2pan s ALA 116 Ca 0.28 -1.29 0.04 0.00 0.00 0.00 0.00 51.96 50.99 2pan s ALA 116 Cb -0.13 -2.21 -0.03 0.00 0.00 0.00 0.00 23.12 20.75 2pan s ALA 116 CO 0.34 -0.73 -0.11 0.54 0.00 0.00 0.00 175.76 175.81 2pan s VAL 117 N 1.59 0.91 -1.41 0.00 0.11 -1.26 -4.80 120.40 115.54 2pan s VAL 117 Ca 0.05 -1.40 -0.13 0.00 -2.93 0.00 0.00 61.98 57.57 2pan s VAL 117 Cb -0.16 -1.09 0.07 0.00 -1.53 0.00 0.00 36.38 33.67 2pan s VAL 117 CO 0.04 -0.41 2.12 -0.67 -3.33 0.00 0.00 175.10 172.86 2pan n ASP 118 N 1.00 4.21 0.22 3.54 2.03 -1.26 -4.72 116.55 121.57 2pan n ASP 118 Ca -0.19 -2.91 0.06 0.00 0.52 0.00 0.00 54.79 52.27 2pan n ASP 118 Cb 0.56 -1.62 0.55 0.00 -0.72 0.00 0.00 41.12 39.89 2pan n ASP 118 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 2pan h ILE 119 N 4.00 1.07 -0.27 5.18 6.09 -1.97 -2.52 117.51 129.10 2pan h ILE 119 Ca 0.52 -0.31 0.06 0.00 -1.37 0.00 0.00 64.86 63.76 2pan h ILE 119 Cb 0.65 1.11 -0.06 0.00 0.47 0.00 0.00 36.82 38.99 2pan h ILE 119 CO 1.80 0.09 -0.12 -0.08 -3.07 0.00 0.00 178.15 176.78 2pan h GLU 120 N 0.05 -0.08 -0.35 2.19 4.81 -1.89 -0.56 114.58 118.76 2pan h GLU 120 Ca 0.01 0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.11 2pan h GLU 120 Cb 0.15 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 2pan h GLU 120 CO 0.01 -0.05 -0.32 0.00 -0.73 0.00 0.00 179.01 177.91 2pan h ALA 121 N 1.14 0.77 -0.48 2.92 0.00 -1.81 -2.74 119.26 119.06 2pan h ALA 121 Ca 0.14 -0.42 -0.11 0.00 0.00 0.00 0.00 54.91 54.52 2pan h ALA 121 Cb 0.30 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2pan h ALA 121 CO -0.32 0.65 -0.15 0.82 0.00 0.00 0.00 179.25 180.24 2pan h ILE 122 N 0.65 1.27 0.00 0.00 2.04 -1.25 -3.25 117.51 116.96 2pan h ILE 122 Ca 0.07 -1.29 0.00 0.00 1.00 0.00 0.00 64.86 64.64 2pan h ILE 122 Cb 0.86 1.06 0.00 0.00 -0.74 0.00 0.00 36.82 38.00 2pan h ILE 122 CO 0.08 0.45 -0.73 0.00 0.00 0.00 0.00 178.15 177.94 2pan h ALA 123 N 1.00 0.59 -0.64 1.87 0.00 -1.13 -3.40 119.26 117.55 2pan h ALA 123 Ca 0.12 0.00 0.13 0.00 0.00 0.00 0.00 54.91 55.16 2pan h ALA 123 Cb 0.70 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.36 2pan h ALA 123 CO 0.05 0.00 -0.18 -0.22 0.00 0.00 0.00 179.25 178.90 2pan h LYS 124 N 0.00 -0.02 0.00 0.00 1.63 -1.52 -1.95 116.57 114.71 2pan h LYS 124 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2pan h LYS 124 Cb 0.89 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.53 2pan h LYS 124 CO 0.00 -0.01 0.00 -2.30 -3.45 0.00 0.00 179.45 173.69 2pan n PRO 125 N -5.44 0.06 -1.50 1.90 -0.02 -1.26 -3.35 135.00 125.39 2pan n PRO 125 Ca 0.08 0.35 -0.01 0.00 -2.02 0.00 0.00 63.50 61.90 2pan n PRO 125 Cb 0.34 -1.62 0.09 0.00 -0.02 0.00 0.00 33.50 32.29 2pan n PRO 125 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 2pan n VAL 126 N -1.73 1.40 -3.64 -1.45 0.24 -0.75 -5.05 118.33 107.36 2pan n VAL 126 Ca 0.02 -2.64 -0.14 0.00 -2.04 0.00 0.00 64.34 59.55 2pan n VAL 126 Cb 0.15 0.26 -0.06 0.00 -1.47 0.00 0.00 33.84 32.71 2pan n VAL 126 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2pan s SER 127 N -2.99 -0.35 0.00 -1.34 1.04 -1.15 -4.02 113.70 104.88 2pan s SER 127 Ca 0.37 0.13 0.10 0.00 0.48 0.00 0.00 55.95 57.03 2pan s SER 127 Cb 0.38 0.44 0.62 0.00 0.10 0.00 0.00 66.02 67.55 2pan s SER 127 CO -0.08 -0.65 1.04 0.29 0.98 0.00 0.00 173.24 174.82 2pan n LYS 128 N 0.60 0.39 -3.26 4.02 5.02 -0.44 -4.89 118.16 119.61 2pan n LYS 128 Ca -0.19 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.13 2pan n LYS 128 Cb 0.59 -1.42 -0.03 0.00 -0.02 0.00 0.00 35.03 34.15 2pan n LYS 128 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2pan s ALA 130 N -2.00 -3.12 -0.05 7.82 0.00 -1.26 -5.07 121.76 118.08 2pan s ALA 130 Ca 0.16 1.80 -0.04 0.00 0.00 0.00 0.00 51.96 53.87 2pan s ALA 130 Cb 0.07 -2.26 0.02 0.00 0.00 0.00 0.00 23.12 20.95 2pan s ALA 130 CO 0.12 -1.08 0.13 0.54 0.00 0.00 0.00 175.76 175.46 2pan s VAL 131 N 2.42 -0.01 -0.26 0.00 0.11 -0.89 -4.87 120.40 116.91 2pan s VAL 131 Ca -0.01 0.02 -0.18 0.00 -2.93 0.00 0.00 61.98 58.87 2pan s VAL 131 Cb -0.05 -0.19 -0.02 0.00 -1.53 0.00 0.00 36.38 34.59 2pan s VAL 131 CO -0.15 0.01 0.54 -0.89 -3.33 0.00 0.00 175.10 171.28 2pan s THR 132 N 0.21 5.05 -0.19 5.04 2.01 -1.26 -0.86 115.64 125.64 2pan s THR 132 Ca -0.01 0.92 -0.29 0.00 0.31 0.00 0.00 61.69 62.62 2pan s THR 132 Cb -0.02 -3.86 -0.01 0.00 0.01 0.00 0.00 72.50 68.62 2pan s THR 132 CO -0.01 0.06 1.22 -0.69 -0.69 0.00 0.00 174.62 174.52 2pan s VAL 133 N 2.36 4.35 -0.80 3.82 1.01 -0.25 -4.92 120.40 125.97 2pan s VAL 133 Ca 0.22 1.62 0.23 0.00 0.00 0.00 0.00 61.98 64.06 2pan s VAL 133 Cb -0.16 -4.07 -0.09 0.00 0.00 0.00 0.00 36.38 32.06 2pan s VAL 133 CO 0.09 -0.17 1.14 0.54 0.00 0.00 0.00 175.10 176.69 2pan n ARG 134 N 6.61 0.15 -3.98 2.72 5.12 -1.26 -4.44 116.66 121.58 2pan n ARG 134 Ca 0.14 0.00 -0.12 0.00 -1.93 0.00 0.00 57.85 55.94 2pan n ARG 134 Cb 0.45 -1.55 -0.13 0.00 -1.16 0.00 0.00 32.46 30.07 2pan n ARG 134 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 2pan s GLU 135 N -3.10 0.25 0.18 5.56 0.41 -1.26 -5.04 118.70 115.70 2pan s GLU 135 Ca 0.07 -0.34 -0.14 0.00 -0.41 0.00 0.00 54.97 54.15 2pan s GLU 135 Cb 0.16 -0.08 0.15 0.00 -1.78 0.00 0.00 34.13 32.57 2pan s GLU 135 CO 0.78 0.01 1.72 0.00 -0.49 0.00 0.00 175.26 177.28 2pan h ALA 136 N 5.40 0.49 0.00 5.21 0.00 -1.91 -2.07 119.26 126.38 2pan h ALA 136 Ca -0.29 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2pan h ALA 136 Cb 1.21 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2pan h ALA 136 CO 0.46 -0.32 0.00 0.00 0.00 0.00 0.00 179.25 179.39 2pan h ALA 137 N 1.35 1.00 0.00 0.00 0.00 -1.91 -2.04 119.26 117.66 2pan h ALA 137 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2pan h ALA 137 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2pan h ALA 137 CO -0.30 0.00 -0.28 1.28 0.00 0.00 0.00 179.25 179.96 2pan n LEU 138 N -2.75 0.46 0.11 0.00 4.77 -0.78 -4.31 117.00 114.49 2pan n LEU 138 Ca -0.01 0.32 -0.13 0.00 -0.03 0.00 0.00 56.01 56.16 2pan n LEU 138 Cb 0.17 -0.32 -0.06 0.00 -2.33 0.00 0.00 43.42 40.87 2pan n LEU 138 CO 0.20 -0.02 0.66 0.58 -1.33 0.00 0.00 177.39 177.49 2pan h VAL 139 N 0.00 0.35 0.00 4.08 2.07 -1.37 0.17 116.25 121.56 2pan h VAL 139 Ca 0.00 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 2pan h VAL 139 Cb 0.60 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 2pan h VAL 139 CO 0.00 0.00 -0.18 1.55 0.02 0.00 0.00 177.57 178.96 2pan h PRO 140 N -0.51 0.00 -0.01 1.57 0.13 -1.79 -2.89 132.00 128.50 2pan h PRO 140 Ca 0.03 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.92 2pan h PRO 140 Cb 0.55 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.69 2pan h PRO 140 CO -0.19 0.18 -0.98 0.00 -0.23 0.00 0.00 178.00 176.79 2pan h ARG 141 N 0.00 0.60 -0.64 0.86 2.47 -1.57 -1.57 114.38 114.53 2pan h ARG 141 Ca -0.00 -0.62 -0.09 0.00 -1.26 0.00 0.00 59.98 58.01 2pan h ARG 141 Cb 0.36 0.17 -0.02 0.00 -1.65 0.00 0.00 29.97 28.82 2pan h ARG 141 CO 0.02 1.23 0.05 0.28 0.56 0.00 0.00 179.97 182.12 2pan h VAL 142 N 0.34 1.27 -0.45 2.04 2.07 -0.61 -0.65 116.25 120.26 2pan h VAL 142 Ca -0.10 -1.10 -0.03 0.00 0.82 0.00 0.00 66.70 66.29 2pan h VAL 142 Cb 1.62 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 32.09 2pan h VAL 142 CO 0.18 0.41 0.17 -0.07 0.02 0.00 0.00 177.57 178.28 2pan h LEU 143 N 1.00 0.63 -0.48 2.57 3.38 -1.54 0.16 115.31 121.03 2pan h LEU 143 Ca 0.19 -0.18 0.08 0.00 0.09 0.00 0.00 57.88 58.06 2pan h LEU 143 Cb 0.50 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 41.02 2pan h LEU 143 CO 0.02 0.63 0.07 -0.61 0.09 0.00 0.00 178.44 178.65 2pan h GLN 144 N 0.58 0.19 -0.23 1.13 4.15 -1.01 -1.76 115.11 118.17 2pan h GLN 144 Ca 0.15 -0.01 -0.10 0.00 0.77 0.00 0.00 58.65 59.46 2pan h GLN 144 Cb 0.21 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.84 2pan h GLN 144 CO -0.01 0.13 -0.28 0.37 -1.93 0.00 0.00 178.83 177.11 2pan h GLN 145 N 0.20 0.44 -0.47 1.69 5.75 -0.89 -3.12 115.11 118.70 2pan h GLN 145 Ca 0.24 -0.17 -0.03 0.00 -0.15 0.00 0.00 58.65 58.54 2pan h GLN 145 Cb 0.33 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.84 2pan h GLN 145 CO -0.34 0.68 0.18 0.00 -2.65 0.00 0.00 178.83 176.70 2pan h ALA 146 N 1.32 0.61 -0.06 3.38 0.00 0.14 -2.35 119.26 122.31 2pan h ALA 146 Ca 0.05 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 2pan h ALA 146 Cb 0.69 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2pan h ALA 146 CO 0.05 0.23 -0.41 0.74 0.00 0.00 0.00 179.25 179.86 2pan h PHE 147 N 0.62 0.14 0.13 0.00 0.04 -1.38 -2.82 116.94 113.68 2pan h PHE 147 Ca 0.16 -0.04 -0.01 0.00 2.80 0.00 0.00 57.97 60.88 2pan h PHE 147 Cb 0.21 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.33 2pan h PHE 147 CO 0.01 0.52 -0.06 1.25 -0.60 0.00 0.00 178.31 179.42 2pan h HIS 148 N 0.10 -0.17 0.00 -0.55 2.76 -1.45 -2.73 115.15 113.12 2pan h HIS 148 Ca 0.01 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2pan h HIS 148 Cb 0.77 0.06 0.00 0.00 1.55 0.00 0.00 27.41 29.79 2pan h HIS 148 CO 0.01 -0.04 0.00 1.28 -1.30 0.00 0.00 177.93 177.87 2pan n LEU 149 N -5.14 0.98 0.00 0.26 4.77 -0.90 -1.05 117.00 115.92 2pan n LEU 149 Ca -0.08 -0.48 0.00 0.00 -0.03 0.00 0.00 56.01 55.42 2pan n LEU 149 Cb 0.12 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 2pan n LEU 149 CO 0.34 0.17 0.00 0.54 -1.33 0.00 0.00 177.39 177.11 2pan n ARG 151 N 1.03 0.00 -2.99 3.23 1.74 -1.03 -4.29 116.66 114.35 2pan n ARG 151 Ca 0.00 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.81 2pan n ARG 151 Cb 0.14 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.57 2pan n ARG 151 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2pan s SER 152 N 0.00 6.36 0.90 0.55 0.01 -0.22 -4.79 113.70 116.51 2pan s SER 152 Ca 0.00 0.82 0.00 0.00 1.31 0.00 0.00 55.95 58.08 2pan s SER 152 Cb 0.00 -2.19 0.00 0.00 0.21 0.00 0.00 66.02 64.04 2pan s SER 152 CO 0.00 -0.40 0.00 0.61 0.41 0.00 0.00 173.24 173.86 2pan n GLY 153 N -1.67 2.84 3.62 3.44 0.00 -0.54 -3.64 105.19 109.24 2pan n GLY 153 Ca -0.01 -0.12 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 2pan n GLY 153 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2pan s ARG 154 N 0.00 3.85 0.58 1.61 3.52 -1.26 -4.94 118.95 122.31 2pan s ARG 154 Ca 0.00 0.90 -0.19 0.00 -0.13 0.00 0.00 55.73 56.30 2pan s ARG 154 Cb 0.00 -3.86 -0.04 0.00 -1.56 0.00 0.00 34.95 29.49 2pan s ARG 154 CO 0.00 -1.20 1.21 -2.14 -0.81 0.00 0.00 175.30 172.36 2pan s PRO 155 N 4.21 3.04 0.28 5.12 0.02 -1.24 -5.01 135.00 141.42 2pan s PRO 155 Ca 0.50 1.83 -0.20 0.00 0.02 0.00 0.00 61.00 63.15 2pan s PRO 155 Cb -0.11 -1.97 0.04 0.00 0.02 0.00 0.00 34.50 32.48 2pan s PRO 155 CO 0.25 -1.16 0.80 0.20 -0.33 0.00 0.00 177.00 176.77 2pan s GLY 156 N -1.56 0.02 0.59 0.52 0.00 -1.26 -3.38 107.32 102.26 2pan s GLY 156 Ca 0.76 -0.36 -0.09 0.00 0.00 0.00 0.00 44.72 45.03 2pan s GLY 156 CO 0.33 0.05 0.97 2.56 0.00 0.00 0.00 173.10 177.01 2pan s PRO 157 N -3.25 3.46 0.00 2.90 0.04 -1.22 -4.23 135.00 132.70 2pan s PRO 157 Ca 0.13 0.53 0.03 0.00 0.04 0.00 0.00 61.00 61.74 2pan s PRO 157 Cb -0.05 -2.16 -0.01 0.00 0.04 0.00 0.00 34.50 32.32 2pan s PRO 157 CO 0.07 -0.54 -0.10 0.08 0.04 0.00 0.00 177.00 176.56 2pan s VAL 158 N -3.08 0.75 -0.14 -0.36 1.01 -0.61 -1.32 120.40 116.65 2pan s VAL 158 Ca 0.53 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.99 2pan s VAL 158 Cb -0.11 -0.65 -0.01 0.00 0.00 0.00 0.00 36.38 35.61 2pan s VAL 158 CO 0.51 0.12 -0.15 -0.22 0.00 0.00 0.00 175.10 175.35 2pan s LEU 159 N -0.47 2.54 -0.19 3.92 0.20 -1.26 -0.93 118.68 122.49 2pan s LEU 159 Ca 0.02 -0.42 -0.01 0.00 0.69 0.00 0.00 54.13 54.41 2pan s LEU 159 Cb -0.05 -1.56 0.00 0.00 -0.43 0.00 0.00 46.19 44.15 2pan s LEU 159 CO -0.00 0.13 -0.12 -0.69 -0.29 0.00 0.00 176.35 175.38 2pan s VAL 160 N 0.54 2.78 -0.24 1.68 1.01 0.75 -2.08 120.40 124.83 2pan s VAL 160 Ca -0.10 -0.71 -0.05 0.00 0.00 0.00 0.00 61.98 61.12 2pan s VAL 160 Cb -0.16 -2.21 -0.01 0.00 0.00 0.00 0.00 36.38 34.00 2pan s VAL 160 CO 0.04 0.49 0.01 -0.62 0.00 0.00 0.00 175.10 175.02 2pan s ASP 161 N 1.20 4.69 -0.37 3.32 3.68 -0.04 -1.03 116.67 128.12 2pan s ASP 161 Ca 0.02 -0.40 -0.02 0.00 2.13 0.00 0.00 52.55 54.29 2pan s ASP 161 Cb -0.14 -1.82 0.09 0.00 -1.45 0.00 0.00 42.92 39.60 2pan s ASP 161 CO -0.05 -0.05 0.13 -0.76 0.13 0.00 0.00 175.17 174.56 2pan s LEU 162 N 1.52 4.80 0.39 -1.34 1.43 0.12 -1.09 118.68 124.51 2pan s LEU 162 Ca 0.05 -1.83 -0.27 0.00 -1.03 0.00 0.00 54.13 51.05 2pan s LEU 162 Cb -0.15 -1.77 -0.10 0.00 0.03 0.00 0.00 46.19 44.19 2pan s LEU 162 CO -0.00 -0.44 1.42 -2.65 0.23 0.00 0.00 176.35 174.91 2pan n PRO 163 N 4.56 2.42 -0.19 1.29 -0.02 -1.26 -1.80 135.00 140.01 2pan n PRO 163 Ca -0.05 0.85 -0.01 0.00 -2.02 0.00 0.00 63.50 62.28 2pan n PRO 163 Cb 0.42 -2.58 0.07 0.00 -0.02 0.00 0.00 33.50 31.39 2pan n PRO 163 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 2pan h PHE 164 N 2.65 -0.16 0.00 6.00 3.57 -0.80 -0.51 116.94 127.69 2pan h PHE 164 Ca -0.50 0.05 -0.06 0.00 3.53 0.00 0.00 57.97 60.98 2pan h PHE 164 Cb 1.26 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 40.15 2pan h PHE 164 CO 0.51 -0.19 -0.31 0.38 -2.23 0.00 0.00 178.31 176.47 2pan h ASP 165 N 0.06 0.00 -0.37 0.41 2.03 -1.88 -2.73 116.42 113.94 2pan h ASP 165 Ca 0.29 0.00 -0.17 0.00 -0.73 0.00 0.00 57.03 56.42 2pan h ASP 165 Cb 0.45 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.95 2pan h ASP 165 CO -0.53 0.31 -0.41 0.58 -1.03 0.00 0.00 179.24 178.15 2pan h VAL 166 N 0.00 1.27 -0.21 4.15 2.07 -1.48 -2.90 116.25 119.15 2pan h VAL 166 Ca -0.00 -1.59 0.00 0.00 0.82 0.00 0.00 66.70 65.93 2pan h VAL 166 Cb 0.60 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 2pan h VAL 166 CO 0.04 0.53 0.13 1.56 0.02 0.00 0.00 177.57 179.85 2pan h GLN 167 N 0.75 0.27 0.00 1.57 4.20 -1.06 -3.27 115.11 117.58 2pan h GLN 167 Ca 0.05 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.75 2pan h GLN 167 Cb 1.01 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.73 2pan h GLN 167 CO 0.10 0.19 -0.32 1.33 -0.67 0.00 0.00 178.83 179.46 2pan n VAL 168 N -4.94 0.08 -2.30 -0.54 0.24 -1.09 -2.61 118.33 107.18 2pan n VAL 168 Ca -0.03 -0.05 -0.38 0.00 -2.04 0.00 0.00 64.34 61.84 2pan n VAL 168 Cb 0.03 -0.09 -0.02 0.00 -1.47 0.00 0.00 33.84 32.30 2pan n VAL 168 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2pan s ALA 169 N -3.03 3.07 0.19 2.33 0.00 -1.09 -4.72 121.76 118.50 2pan s ALA 169 Ca 0.11 0.93 -0.30 0.00 0.00 0.00 0.00 51.96 52.71 2pan s ALA 169 Cb 0.17 -3.37 -0.08 0.00 0.00 0.00 0.00 23.12 19.84 2pan s ALA 169 CO 0.64 -0.56 1.01 -1.21 0.00 0.00 0.00 175.76 175.64 2pan s GLU 170 N -2.50 4.71 0.19 0.00 0.41 -1.26 -1.71 118.70 118.54 2pan s GLU 170 Ca 0.60 1.58 0.03 0.00 -0.41 0.00 0.00 54.97 56.76 2pan s GLU 170 Cb -0.29 -3.30 -0.05 0.00 -1.78 0.00 0.00 34.13 28.71 2pan s GLU 170 CO 0.36 0.27 -0.00 0.96 -0.49 0.00 0.00 175.26 176.35 2pan s ILE 171 N -0.57 0.83 -0.20 -1.63 -4.36 -1.26 -4.91 121.20 109.10 2pan s ILE 171 Ca 0.45 -2.01 -0.12 0.00 -0.26 0.00 0.00 60.65 58.72 2pan s ILE 171 Cb -0.27 -2.20 -0.05 0.00 1.25 0.00 0.00 42.46 41.19 2pan s ILE 171 CO 0.33 -0.42 0.22 -0.70 0.24 0.00 0.00 174.94 174.61 2pan s GLU 172 N -3.89 4.18 -0.17 0.37 2.12 -1.26 -4.30 118.70 115.74 2pan s GLU 172 Ca 0.26 -0.09 -0.08 0.00 0.36 0.00 0.00 54.97 55.41 2pan s GLU 172 Cb 0.06 -3.47 0.07 0.00 0.26 0.00 0.00 34.13 31.05 2pan s GLU 172 CO 0.06 0.18 0.40 0.12 -0.54 0.00 0.00 175.26 175.47 2pan s PHE 173 N 0.70 -0.65 -0.42 5.30 5.36 -0.68 -5.02 117.98 122.57 2pan s PHE 173 Ca 0.12 1.33 -0.11 0.00 -0.96 0.00 0.00 56.93 57.31 2pan s PHE 173 Cb -0.13 0.25 0.06 0.00 -0.34 0.00 0.00 43.02 42.87 2pan s PHE 173 CO 0.03 -0.39 0.27 0.34 -1.46 0.00 0.00 175.22 174.01 2pan s ASP 174 N 1.89 5.76 0.41 6.13 3.68 -1.26 -4.67 116.67 128.60 2pan s ASP 174 Ca -0.06 -1.33 0.16 0.00 2.13 0.00 0.00 52.55 53.46 2pan s ASP 174 Cb -0.10 -2.03 0.88 0.00 -1.45 0.00 0.00 42.92 40.22 2pan s ASP 174 CO -0.12 -0.52 1.88 1.55 0.13 0.00 0.00 175.17 178.09 2pan h PRO 175 N 8.48 0.00 -1.98 4.34 0.13 -1.99 -3.21 132.00 137.78 2pan h PRO 175 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 2pan h PRO 175 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2pan h PRO 175 CO 0.75 0.30 0.00 -0.25 -0.23 0.00 0.00 178.00 178.58 2pan n ASP 176 N -3.98 0.13 -1.72 1.44 8.00 -1.26 -4.87 116.55 114.28 2pan n ASP 176 Ca -0.02 -0.40 0.00 0.00 0.71 0.00 0.00 54.79 55.08 2pan n ASP 176 Cb 0.37 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.44 2pan n ASP 176 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2pan n TYR 178 N 1.33 -2.33 -4.02 1.24 9.36 -1.22 -5.19 117.16 116.33 2pan n TYR 178 Ca 0.00 1.25 -0.30 0.00 3.32 0.00 0.00 57.90 62.17 2pan n TYR 178 Cb 0.02 -2.01 -0.16 0.00 -0.63 0.00 0.00 39.34 36.55 2pan n TYR 178 CO 0.00 0.00 0.00 -1.21 0.22 0.00 0.00 176.86 175.87 2pan s GLU 179 N -1.26 2.28 0.40 2.98 0.41 -1.26 -5.12 118.70 117.13 2pan s GLU 179 Ca 0.00 -0.57 -0.27 0.00 -0.41 0.00 0.00 54.97 53.73 2pan s GLU 179 Cb 0.00 -2.11 -0.10 0.00 -1.78 0.00 0.00 34.13 30.13 2pan s GLU 179 CO 0.00 -0.25 1.36 -2.30 -0.49 0.00 0.00 175.26 173.59 2pan n PRO 180 N 4.77 2.23 -2.13 0.39 -0.02 -1.26 -4.96 135.00 134.02 2pan n PRO 180 Ca -0.17 0.79 -0.33 0.00 -2.02 0.00 0.00 63.50 61.77 2pan n PRO 180 Cb 0.50 -2.49 0.01 0.00 -0.02 0.00 0.00 33.50 31.49 2pan n PRO 180 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2pan s LEU 181 N -1.83 3.58 0.45 2.45 1.43 -1.26 -5.00 118.68 118.50 2pan s LEU 181 Ca 0.58 1.90 -0.23 0.00 -1.03 0.00 0.00 54.13 55.34 2pan s LEU 181 Cb -0.50 -4.55 -0.07 0.00 0.03 0.00 0.00 46.19 41.10 2pan s LEU 181 CO 0.60 -1.15 1.18 -2.16 0.23 0.00 0.00 176.35 175.05 2pan s PRO 182 N -3.83 3.77 -0.13 1.29 0.04 -1.26 -4.90 135.00 129.97 2pan s PRO 182 Ca 0.66 1.83 -0.24 0.00 0.04 0.00 0.00 61.00 63.28 2pan s PRO 182 Cb -0.17 -2.45 -0.02 0.00 0.04 0.00 0.00 34.50 31.89 2pan s PRO 182 CO 0.33 -0.56 0.77 0.08 0.04 0.00 0.00 177.00 177.66 2pan s VAL 183 N -1.50 4.95 -0.12 -0.36 1.01 -1.26 -4.98 120.40 118.14 2pan s VAL 183 Ca 0.63 1.53 -0.23 0.00 0.00 0.00 0.00 61.98 63.91 2pan s VAL 183 Cb -0.30 -4.09 -0.03 0.00 0.00 0.00 0.00 36.38 31.96 2pan s VAL 183 CO 0.37 0.12 0.71 -0.47 0.00 0.00 0.00 175.10 175.82 2pan s TYR 184 N 1.62 3.49 -0.13 5.22 5.04 -1.26 -5.02 117.35 126.32 2pan s TYR 184 Ca 0.37 1.16 -0.05 0.00 -2.44 0.00 0.00 57.07 56.11 2pan s TYR 184 Cb -0.17 -2.84 0.06 0.00 0.35 0.00 0.00 41.96 39.36 2pan s TYR 184 CO 0.15 -0.05 0.27 0.15 -1.34 0.00 0.00 175.55 174.73 2pan s LYS 185 N 1.37 0.19 0.56 4.97 1.02 -1.26 -1.47 119.74 125.12 2pan s LYS 185 Ca 0.35 0.69 -0.18 0.00 0.02 0.00 0.00 55.97 56.85 2pan s LYS 185 Cb -0.17 -0.05 -0.05 0.00 -0.52 0.00 0.00 37.83 37.05 2pan s LYS 185 CO 0.15 -0.24 1.11 -1.25 -0.92 0.00 0.00 175.35 174.20 2pan s PRO 186 N 1.99 3.29 -0.01 -1.68 0.04 -1.26 -4.90 135.00 132.46 2pan s PRO 186 Ca -0.03 1.52 0.03 0.00 0.04 0.00 0.00 61.00 62.56 2pan s PRO 186 Cb -0.11 -2.00 -0.01 0.00 0.04 0.00 0.00 34.50 32.42 2pan s PRO 186 CO -0.09 -0.89 -0.11 0.00 0.04 0.00 0.00 177.00 175.95 2pan s ALA 187 N -1.95 0.95 0.69 8.56 0.00 -1.26 -0.64 121.76 128.11 2pan s ALA 187 Ca 0.70 -0.48 -0.14 0.00 0.00 0.00 0.00 51.96 52.05 2pan s ALA 187 Cb -0.22 -0.26 0.01 0.00 0.00 0.00 0.00 23.12 22.66 2pan s ALA 187 CO 0.30 0.22 1.10 0.00 0.00 0.00 0.00 175.76 177.38 2pan s ALA 188 N -0.21 2.43 0.24 0.00 0.00 -1.26 -4.88 121.76 118.07 2pan s ALA 188 Ca 0.03 0.45 -0.01 0.00 0.00 0.00 0.00 51.96 52.44 2pan s ALA 188 Cb -0.05 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.73 2pan s ALA 188 CO -0.00 -1.39 0.43 -1.54 0.00 0.00 0.00 175.76 173.26 2pan s SER 189 N -2.84 6.38 0.00 0.00 1.04 -1.26 -4.95 113.70 112.07 2pan s SER 189 Ca 0.65 0.43 0.00 0.00 0.48 0.00 0.00 55.95 57.51 2pan s SER 189 Cb -0.19 -2.02 0.00 0.00 0.10 0.00 0.00 66.02 63.90 2pan s SER 189 CO 0.46 -0.10 0.00 -1.14 0.98 0.00 0.00 173.24 173.44 2pan n ARG 190 N -0.89 0.00 0.00 4.02 0.63 -1.26 -2.34 116.66 116.82 2pan n ARG 190 Ca -0.04 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.89 2pan n ARG 190 Cb 0.54 -0.92 0.00 0.00 0.45 0.00 0.00 32.46 32.53 2pan n ARG 190 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 2pan n GLN 192 N 0.55 0.00 -0.10 -0.14 6.02 -1.26 -1.12 117.38 121.33 2pan n GLN 192 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.87 2pan n GLN 192 Cb 0.00 0.00 0.01 0.00 1.02 0.00 0.00 30.24 31.27 2pan n GLN 192 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 2pan h ILE 193 N 0.00 1.28 -0.60 5.09 1.08 -1.86 -1.85 117.51 120.64 2pan h ILE 193 Ca 0.00 -1.53 0.06 0.00 -0.39 0.00 0.00 64.86 63.00 2pan h ILE 193 Cb 0.00 1.36 -0.05 0.00 -3.07 0.00 0.00 36.82 35.06 2pan h ILE 193 CO 0.00 0.51 0.31 -0.33 -0.69 0.00 0.00 178.15 177.94 2pan h GLU 194 N 0.72 0.55 -0.79 2.37 5.08 -1.39 -0.60 114.58 120.52 2pan h GLU 194 Ca 0.07 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 2pan h GLU 194 Cb 0.93 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 30.02 2pan h GLU 194 CO 0.09 0.37 0.40 -0.22 -1.00 0.00 0.00 179.01 178.65 2pan h LYS 195 N 0.57 1.12 -0.45 2.33 1.63 -1.77 0.29 116.57 120.28 2pan h LYS 195 Ca 0.27 -0.15 -0.03 0.00 -0.85 0.00 0.00 60.65 59.90 2pan h LYS 195 Cb 0.20 -0.21 -0.02 0.00 -0.60 0.00 0.00 32.23 31.61 2pan h LYS 195 CO -0.20 0.85 0.17 0.00 -3.45 0.00 0.00 179.45 176.83 2pan h ALA 196 N 1.21 0.59 -0.27 5.00 0.00 -0.81 -3.08 119.26 121.91 2pan h ALA 196 Ca 0.27 -0.15 -0.18 0.00 0.00 0.00 0.00 54.91 54.86 2pan h ALA 196 Cb 0.08 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 2pan h ALA 196 CO -0.04 0.20 -0.54 0.28 0.00 0.00 0.00 179.25 179.16 2pan h VAL 197 N 0.59 1.29 0.00 0.00 2.07 -0.96 -0.74 116.25 118.50 2pan h VAL 197 Ca 0.15 -1.74 0.00 0.00 0.82 0.00 0.00 66.70 65.93 2pan h VAL 197 Cb 0.21 1.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 2pan h VAL 197 CO -0.01 0.56 0.00 -0.62 0.02 0.00 0.00 177.57 177.52 2pan n GLU 198 N -4.00 0.00 0.00 1.57 1.02 0.08 -1.37 120.64 117.94 2pan n GLU 198 Ca -0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 2pan n GLU 198 Cb 0.61 -1.09 0.00 0.00 -0.02 0.00 0.00 31.44 30.95 2pan n GLU 198 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 2pan n LEU 200 N 0.60 0.00 0.21 -4.62 7.94 -0.29 -3.51 117.00 117.33 2pan n LEU 200 Ca 0.00 0.00 0.06 0.00 -1.11 0.00 0.00 56.01 54.96 2pan n LEU 200 Cb 0.00 0.00 0.45 0.00 0.53 0.00 0.00 43.42 44.40 2pan n LEU 200 CO 0.00 0.00 0.78 0.16 -1.11 0.00 0.00 177.39 177.22 2pan h ILE 201 N 0.00 0.98 -0.03 1.96 3.07 -1.50 -2.59 117.51 119.40 2pan h ILE 201 Ca 0.00 -1.14 0.00 0.00 1.55 0.00 0.00 64.86 65.27 2pan h ILE 201 Cb 0.00 1.66 0.00 0.00 -0.27 0.00 0.00 36.82 38.21 2pan h ILE 201 CO 0.00 0.30 0.00 0.00 -1.05 0.00 0.00 178.15 177.40 2pan n GLN 202 N -3.83 1.61 -2.67 0.16 10.64 -1.23 -4.77 117.38 117.29 2pan n GLN 202 Ca -0.01 -0.90 -0.41 0.00 -1.83 0.00 0.00 57.00 53.85 2pan n GLN 202 Cb 0.39 -1.47 -0.04 0.00 -0.86 0.00 0.00 30.24 28.26 2pan n GLN 202 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2pan s ALA 203 N -1.97 3.28 0.05 2.61 0.00 -0.98 -4.98 121.76 119.77 2pan s ALA 203 Ca 0.38 0.64 -0.08 0.00 0.00 0.00 0.00 51.96 52.91 2pan s ALA 203 Cb 0.21 -3.30 -0.31 0.00 0.00 0.00 0.00 23.12 19.72 2pan s ALA 203 CO 0.33 -0.08 1.07 0.93 0.00 0.00 0.00 175.76 178.00 2pan h GLU 204 N 5.49 0.35 -2.03 0.00 5.08 -1.88 -3.41 114.58 118.18 2pan h GLU 204 Ca -0.43 -0.60 -0.51 0.00 -1.00 0.00 0.00 59.36 56.82 2pan h GLU 204 Cb 1.21 0.22 -0.40 0.00 0.50 0.00 0.00 28.75 30.28 2pan h GLU 204 CO 0.72 1.28 -1.10 0.54 -1.00 0.00 0.00 179.01 179.45 2pan n ARG 205 N -3.58 1.18 -2.76 2.33 1.74 -1.26 -4.92 116.66 109.39 2pan n ARG 205 Ca -0.12 -3.53 -0.33 0.00 -0.77 0.00 0.00 57.85 53.11 2pan n ARG 205 Cb 1.05 -1.66 -0.06 0.00 -1.02 0.00 0.00 32.46 30.78 2pan n ARG 205 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2pan s PRO 206 N -2.22 4.11 0.03 5.56 0.04 -1.26 -1.67 135.00 139.60 2pan s PRO 206 Ca 0.40 1.00 0.04 0.00 0.04 0.00 0.00 61.00 62.47 2pan s PRO 206 Cb 0.29 -2.21 -0.02 0.00 0.04 0.00 0.00 34.50 32.60 2pan s PRO 206 CO -0.09 -0.07 -0.13 0.14 0.04 0.00 0.00 177.00 176.90 2pan s VAL 207 N -2.27 0.99 -0.19 -0.36 -7.23 -1.26 -4.30 120.40 105.77 2pan s VAL 207 Ca 0.60 -0.88 -0.15 0.00 -1.81 0.00 0.00 61.98 59.74 2pan s VAL 207 Cb -0.09 -0.90 -0.04 0.00 0.56 0.00 0.00 36.38 35.91 2pan s VAL 207 CO 0.19 0.02 0.35 -0.63 -0.31 0.00 0.00 175.10 174.72 2pan s ILE 208 N -0.75 5.24 -0.39 -0.62 1.01 -0.35 -0.39 121.20 124.95 2pan s ILE 208 Ca 0.01 0.62 -0.12 0.00 0.00 0.00 0.00 60.65 61.16 2pan s ILE 208 Cb -0.07 -3.69 0.03 0.00 0.01 0.00 0.00 42.46 38.74 2pan s ILE 208 CO 0.01 0.30 0.24 -0.69 0.00 0.00 0.00 174.94 174.79 2pan s VAL 209 N 1.04 4.76 -0.31 2.92 1.01 -0.52 0.51 120.40 129.80 2pan s VAL 209 Ca 0.17 -0.83 -0.13 0.00 0.00 0.00 0.00 61.98 61.19 2pan s VAL 209 Cb -0.14 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 2pan s VAL 209 CO 0.07 -0.27 0.25 0.00 0.00 0.00 0.00 175.10 175.14 2pan s ALA 210 N 1.58 3.52 0.55 5.51 0.00 -0.35 -1.39 121.76 131.18 2pan s ALA 210 Ca 0.03 -1.21 0.09 0.00 0.00 0.00 0.00 51.96 50.87 2pan s ALA 210 Cb -0.19 -2.62 0.07 0.00 0.00 0.00 0.00 23.12 20.38 2pan s ALA 210 CO 0.07 -0.81 0.72 0.20 0.00 0.00 0.00 175.76 175.95 2pan s GLY 211 N 1.73 1.82 0.35 0.00 0.00 -0.29 -1.39 107.32 109.53 2pan s GLY 211 Ca 0.08 -2.01 0.24 0.00 0.00 0.00 0.00 44.72 43.03 2pan s GLY 211 CO 0.11 -1.69 1.73 -1.33 0.00 0.00 0.00 173.10 171.92 2pan h GLY 212 N 0.30 0.00 1.67 0.20 0.00 -1.83 -1.73 103.07 101.67 2pan h GLY 212 Ca -0.32 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.97 2pan h GLY 212 CO 0.43 0.00 -0.03 -1.33 0.00 0.00 0.00 176.54 175.61 2pan h GLY 213 N 0.26 0.44 0.94 4.60 0.00 -1.05 0.62 103.07 108.89 2pan h GLY 213 Ca 0.00 -0.26 -0.00 0.00 0.00 0.00 0.00 47.33 47.07 2pan h GLY 213 CO 0.00 0.24 0.06 -2.08 0.00 0.00 0.00 176.54 174.76 2pan h VAL 214 N 0.40 1.08 -0.61 4.60 2.07 -1.50 -0.75 116.25 121.55 2pan h VAL 214 Ca 0.09 -0.22 -0.04 0.00 0.82 0.00 0.00 66.70 67.35 2pan h VAL 214 Cb 0.31 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 2pan h VAL 214 CO 0.01 0.07 0.23 0.40 0.02 0.00 0.00 177.57 178.31 2pan h ILE 215 N 0.08 1.23 -1.00 4.57 2.04 -1.63 -1.29 117.51 121.52 2pan h ILE 215 Ca 0.04 -0.73 0.03 0.00 1.00 0.00 0.00 64.86 65.20 2pan h ILE 215 Cb 0.06 0.58 -0.06 0.00 -0.74 0.00 0.00 36.82 36.67 2pan h ILE 215 CO -0.01 0.29 0.65 -1.13 0.00 0.00 0.00 178.15 177.95 2pan h ASN 216 N 0.84 1.10 0.47 1.72 -0.73 -0.69 -1.73 115.58 116.56 2pan h ASN 216 Ca 0.20 -0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.36 2pan h ASN 216 Cb 0.22 -0.25 0.00 0.00 0.27 0.00 0.00 38.32 38.55 2pan h ASN 216 CO -0.02 0.76 -0.06 0.00 -0.37 0.00 0.00 177.43 177.74 2pan n ALA 217 N -2.38 2.63 -3.22 1.57 0.00 -0.30 -4.94 120.51 113.88 2pan n ALA 217 Ca 0.13 -0.20 -0.14 0.00 0.00 0.00 0.00 53.44 53.23 2pan n ALA 217 Cb 0.08 -1.42 0.08 0.00 0.00 0.00 0.00 19.45 18.19 2pan n ALA 217 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2pan n ASP 218 N -1.14 -2.06 -0.90 0.00 -0.08 -0.65 -4.64 116.55 107.08 2pan n ASP 218 Ca 0.14 -0.53 0.04 0.00 -1.51 0.00 0.00 54.79 52.94 2pan n ASP 218 Cb 0.26 -4.44 0.16 0.00 2.34 0.00 0.00 41.12 39.44 2pan n ASP 218 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2pan n ALA 219 N -3.67 3.41 -0.13 -1.67 0.00 -0.54 -4.83 120.51 113.08 2pan n ALA 219 Ca -0.24 -3.10 -0.11 0.00 0.00 0.00 0.00 53.44 49.98 2pan n ALA 219 Cb 0.64 -0.45 -0.02 0.00 0.00 0.00 0.00 19.45 19.63 2pan n ALA 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pan h ALA 220 N 1.07 0.51 -0.68 0.00 0.00 -1.84 -2.06 119.26 116.26 2pan h ALA 220 Ca -0.04 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 2pan h ALA 220 Cb 1.24 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 2pan h ALA 220 CO 0.06 0.37 0.36 0.00 0.00 0.00 0.00 179.25 180.04 2pan h ALA 221 N 0.83 0.87 -0.24 0.00 0.00 -1.88 -1.99 119.26 116.84 2pan h ALA 221 Ca 0.09 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 2pan h ALA 221 Cb 0.61 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2pan h ALA 221 CO 0.04 0.40 -0.30 -0.07 0.00 0.00 0.00 179.25 179.32 2pan h LEU 222 N 0.93 0.50 -0.02 0.00 3.38 -1.91 -1.31 115.31 116.88 2pan h LEU 222 Ca 0.24 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 2pan h LEU 222 Cb 0.06 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 2pan h LEU 222 CO -0.04 0.78 0.00 0.25 0.09 0.00 0.00 178.44 179.53 2pan h LEU 223 N 0.43 0.03 -0.54 1.67 5.85 -1.16 -1.11 115.31 120.48 2pan h LEU 223 Ca 0.06 -0.26 0.09 0.00 0.84 0.00 0.00 57.88 58.60 2pan h LEU 223 Cb 0.74 -0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.69 2pan h LEU 223 CO 0.06 0.29 0.15 -0.61 -0.34 0.00 0.00 178.44 177.99 2pan h GLN 224 N -0.23 0.29 -0.63 1.25 4.15 -1.31 -1.17 115.11 117.47 2pan h GLN 224 Ca 0.01 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.41 2pan h GLN 224 Cb 0.27 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.86 2pan h GLN 224 CO 0.00 0.19 0.40 0.37 -1.93 0.00 0.00 178.83 177.86 2pan h GLN 225 N 0.30 0.84 -0.62 1.69 4.15 -1.12 -0.42 115.11 119.94 2pan h GLN 225 Ca 0.27 -0.06 -0.06 0.00 0.77 0.00 0.00 58.65 59.57 2pan h GLN 225 Cb 0.36 -0.18 -0.03 0.00 0.21 0.00 0.00 27.48 27.84 2pan h GLN 225 CO -0.32 0.58 0.15 0.35 -1.93 0.00 0.00 178.83 177.66 2pan h PHE 226 N 0.85 1.04 -0.46 3.99 3.57 -0.76 -0.57 116.94 124.60 2pan h PHE 226 Ca 0.23 -0.13 -0.03 0.00 3.53 0.00 0.00 57.97 61.57 2pan h PHE 226 Cb -0.06 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.37 2pan h PHE 226 CO -0.02 0.87 0.17 0.00 -2.23 0.00 0.00 178.31 177.10 2pan h ALA 227 N 1.04 0.60 -0.22 2.41 0.00 -0.99 -2.25 119.26 119.85 2pan h ALA 227 Ca 0.19 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2pan h ALA 227 Cb 0.36 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2pan h ALA 227 CO 0.00 0.22 0.14 0.93 0.00 0.00 0.00 179.25 180.55 2pan h GLU 228 N 0.60 0.30 -0.45 0.00 5.08 -0.86 0.30 114.58 119.55 2pan h GLU 228 Ca 0.15 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.45 2pan h GLU 228 Cb 0.22 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 2pan h GLU 228 CO -0.01 0.22 0.12 -0.07 -1.00 0.00 0.00 179.01 178.26 2pan h LEU 229 N 0.29 0.62 0.00 1.33 3.38 -1.03 -2.95 115.31 116.95 2pan h LEU 229 Ca 0.08 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2pan h LEU 229 Cb -0.01 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.58 2pan h LEU 229 CO -0.02 0.61 -0.89 0.35 0.09 0.00 0.00 178.44 178.58 2pan n THR 230 N -4.31 0.06 -3.57 0.22 -2.24 -0.85 -4.99 114.28 98.60 2pan n THR 230 Ca 0.03 -0.10 -0.23 0.00 -2.27 0.00 0.00 64.05 61.48 2pan n THR 230 Cb 0.20 0.46 0.08 0.00 -2.10 0.00 0.00 70.33 68.97 2pan n THR 230 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2pan n SER 231 N -1.69 -5.44 -4.40 3.42 2.88 0.10 -4.87 113.62 103.62 2pan n SER 231 Ca 0.03 -0.56 -0.35 0.00 -1.33 0.00 0.00 58.87 56.66 2pan n SER 231 Cb 0.38 -5.02 -0.13 0.00 -0.75 0.00 0.00 64.21 58.68 2pan n SER 231 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2pan s VAL 232 N -3.33 3.72 0.51 2.46 1.01 -0.93 -4.79 120.40 119.04 2pan s VAL 232 Ca 0.47 -0.39 -0.22 0.00 0.00 0.00 0.00 61.98 61.83 2pan s VAL 232 Cb -0.21 -2.68 -0.07 0.00 0.00 0.00 0.00 36.38 33.43 2pan s VAL 232 CO 0.73 0.43 1.18 -2.65 0.00 0.00 0.00 175.10 174.80 2pan n PRO 233 N 4.34 1.50 -4.55 2.72 -0.02 -1.26 -4.73 135.00 132.99 2pan n PRO 233 Ca -0.17 0.55 -0.33 0.00 -2.02 0.00 0.00 63.50 61.52 2pan n PRO 233 Cb 0.52 -2.34 -0.13 0.00 -0.02 0.00 0.00 33.50 31.53 2pan n PRO 233 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2pan s VAL 234 N -1.32 3.62 -0.37 -1.45 1.01 0.85 -1.21 120.40 121.53 2pan s VAL 234 Ca 0.69 -0.47 -0.04 0.00 0.00 0.00 0.00 61.98 62.16 2pan s VAL 234 Cb -0.46 -2.55 0.08 0.00 0.00 0.00 0.00 36.38 33.45 2pan s VAL 234 CO 0.52 0.52 0.15 -0.63 0.00 0.00 0.00 175.10 175.66 2pan s ILE 235 N 0.14 3.41 0.34 2.22 -1.09 0.18 -0.74 121.20 125.67 2pan s ILE 235 Ca -0.03 -1.67 -0.26 0.00 -2.23 0.00 0.00 60.65 56.46 2pan s ILE 235 Cb -0.14 -3.15 -0.09 0.00 -1.58 0.00 0.00 42.46 37.50 2pan s ILE 235 CO 0.03 -0.45 1.06 -2.16 -1.23 0.00 0.00 174.94 172.20 2pan s PRO 236 N 1.25 4.39 0.97 2.79 0.04 -1.25 -1.21 135.00 141.98 2pan s PRO 236 Ca 0.03 1.61 -0.12 0.00 0.04 0.00 0.00 61.00 62.56 2pan s PRO 236 Cb -0.22 -2.83 0.17 0.00 0.04 0.00 0.00 34.50 31.67 2pan s PRO 236 CO -0.02 0.04 1.09 0.99 0.04 0.00 0.00 177.00 179.15 2pan s THR 237 N -1.44 2.20 -0.48 1.26 2.01 -0.49 -4.47 115.64 114.23 2pan s THR 237 Ca 0.52 0.06 0.00 0.00 0.31 0.00 0.00 61.69 62.58 2pan s THR 237 Cb -0.26 -2.57 0.00 0.00 0.01 0.00 0.00 72.50 69.69 2pan s THR 237 CO 0.33 -0.08 0.00 -0.11 -0.69 0.00 0.00 174.62 174.06 2pan n LEU 238 N -4.10 0.00 0.00 4.42 7.94 -1.26 -0.87 117.00 123.13 2pan n LEU 238 Ca 0.06 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.96 2pan n LEU 238 Cb 0.57 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.52 2pan n LEU 238 CO 0.57 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.46 2pan n GLY 240 N 0.68 0.00 3.69 -3.96 0.00 -1.26 -4.96 105.19 99.39 2pan n GLY 240 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.50 2pan n GLY 240 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 2pan n TRP 241 N 0.00 2.19 0.00 1.61 -0.00 -0.05 -1.98 117.44 119.21 2pan n TRP 241 Ca 0.00 0.24 0.00 0.00 -0.00 0.00 0.00 57.50 57.74 2pan n TRP 241 Cb 0.00 -2.57 0.00 0.00 -0.00 0.00 0.00 31.31 28.74 2pan n TRP 241 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 2pan n GLY 242 N 4.18 1.78 0.17 5.87 0.00 -1.26 -4.58 105.19 111.35 2pan n GLY 242 Ca 0.23 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.39 2pan n GLY 242 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pan s ILE 244 N -3.38 0.82 0.53 0.00 2.07 -1.26 -4.50 121.20 115.48 2pan s ILE 244 Ca 0.04 -0.35 -0.22 0.00 -1.41 0.00 0.00 60.65 58.71 2pan s ILE 244 Cb 0.09 -0.75 -0.05 0.00 0.13 0.00 0.00 42.46 41.88 2pan s ILE 244 CO 0.48 0.27 1.34 -2.84 -1.91 0.00 0.00 174.94 172.27 2pan s PRO 245 N 0.41 3.27 0.52 3.50 0.02 -1.26 -4.88 135.00 136.58 2pan s PRO 245 Ca -0.07 2.20 0.18 0.00 0.02 0.00 0.00 61.00 63.32 2pan s PRO 245 Cb -0.11 -2.32 1.31 0.00 0.02 0.00 0.00 34.50 33.40 2pan s PRO 245 CO 0.01 -1.07 2.14 -0.44 -0.33 0.00 0.00 177.00 177.31 2pan h ASP 246 N 1.62 0.00 -0.09 2.53 5.19 -1.80 -1.87 116.42 122.00 2pan h ASP 246 Ca -0.51 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.90 2pan h ASP 246 Cb 1.29 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.80 2pan h ASP 246 CO 0.58 0.02 0.00 -0.90 -3.12 0.00 0.00 179.24 175.82 2pan n ASP 247 N -4.41 1.36 -4.77 6.45 5.75 -1.26 -4.89 116.55 114.78 2pan n ASP 247 Ca -0.03 -1.57 -0.39 0.00 -0.01 0.00 0.00 54.79 52.79 2pan n ASP 247 Cb 0.11 -0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.15 2pan n ASP 247 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 2pan s HIS 248 N -1.89 2.75 0.42 2.11 2.46 -0.71 -4.93 115.29 115.51 2pan s HIS 248 Ca 0.35 1.44 0.24 0.00 0.47 0.00 0.00 55.06 57.56 2pan s HIS 248 Cb 0.18 -3.62 1.35 0.00 -0.13 0.00 0.00 32.58 30.37 2pan s HIS 248 CO 0.29 -2.07 2.05 1.05 -2.47 0.00 0.00 174.74 173.60 2pan h GLU 249 N 2.32 0.00 -4.43 2.88 4.11 -1.90 -3.46 114.58 114.10 2pan h GLU 249 Ca -0.50 0.00 -0.74 0.00 0.07 0.00 0.00 59.36 58.19 2pan h GLU 249 Cb 1.26 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 30.29 2pan h GLU 249 CO 0.61 0.14 0.58 -0.51 0.07 0.00 0.00 179.01 179.90 2pan s LEU 250 N -7.59 5.80 0.00 3.06 1.43 -1.26 -4.92 118.68 115.21 2pan s LEU 250 Ca -0.03 -2.51 0.00 0.00 -1.03 0.00 0.00 54.13 50.55 2pan s LEU 250 Cb 0.14 -2.31 0.00 0.00 0.03 0.00 0.00 46.19 44.04 2pan s LEU 250 CO 0.61 -0.78 0.00 0.00 0.23 0.00 0.00 176.35 176.41 2pan n ALA 252 N 5.17 0.45 0.00 4.21 0.00 0.08 -0.10 120.51 130.31 2pan n ALA 252 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.65 2pan n ALA 252 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 2pan n ALA 252 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pan n GLY 253 N 0.00 0.94 3.59 0.00 0.00 -1.26 -3.87 105.19 104.60 2pan n GLY 253 Ca 0.00 -1.48 -0.13 0.00 0.00 0.00 0.00 46.02 44.41 2pan n GLY 253 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pan s VAL 255 N 0.00 0.00 -5.00 1.61 1.01 -1.26 -3.85 120.40 112.90 2pan s VAL 255 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.98 2pan s VAL 255 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.38 2pan s VAL 255 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.71 2pan n GLY 256 N 1.60 0.10 0.09 4.51 0.00 -1.24 -4.67 105.19 105.58 2pan n GLY 256 Ca -0.14 -1.59 0.03 0.00 0.00 0.00 0.00 46.02 44.33 2pan n GLY 256 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2pan n LEU 257 N 0.00 0.65 0.04 0.99 4.77 0.36 -4.72 117.00 119.08 2pan n LEU 257 Ca 0.00 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 2pan n LEU 257 Cb 0.00 0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 2pan n LEU 257 CO 0.00 0.08 0.00 0.00 -1.33 0.00 0.00 177.39 176.14 2pan n GLN 258 N -2.73 0.00 -1.92 3.23 6.02 -1.26 -1.92 117.38 118.80 2pan n GLN 258 Ca -0.09 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.48 2pan n GLN 258 Cb 0.76 -0.06 -0.00 0.00 1.02 0.00 0.00 30.24 31.96 2pan n GLN 258 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2pan n THR 259 N -2.87 3.94 -4.07 5.09 -2.24 -1.26 -4.87 114.28 108.00 2pan n THR 259 Ca 0.00 -3.53 -0.10 0.00 -2.27 0.00 0.00 64.05 58.14 2pan n THR 259 Cb 0.00 -2.49 -0.08 0.00 -2.10 0.00 0.00 70.33 65.66 2pan n THR 259 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pan s ALA 260 N 1.88 0.36 0.18 6.98 0.00 -1.26 -4.60 121.76 125.30 2pan s ALA 260 Ca 0.47 -1.20 0.06 0.00 0.00 0.00 0.00 51.96 51.29 2pan s ALA 260 Cb 0.13 1.12 -0.04 0.00 0.00 0.00 0.00 23.12 24.33 2pan s ALA 260 CO -0.05 -0.70 0.09 -1.01 0.00 0.00 0.00 175.76 174.09 2pan s HIS 261 N -4.06 3.02 0.18 0.00 3.76 -1.26 -4.75 115.29 112.18 2pan s HIS 261 Ca 0.27 -0.08 -0.10 0.00 -0.15 0.00 0.00 55.06 55.00 2pan s HIS 261 Cb 0.03 -1.44 0.08 0.00 1.11 0.00 0.00 32.58 32.37 2pan s HIS 261 CO 0.08 0.52 1.70 0.00 -0.85 0.00 0.00 174.74 176.19 2pan h ARG 262 N 2.37 0.99 -0.43 1.40 3.08 -1.97 -2.45 114.38 117.38 2pan h ARG 262 Ca -0.47 -0.23 -0.12 0.00 0.07 0.00 0.00 59.98 59.23 2pan h ARG 262 Cb 1.21 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 31.11 2pan h ARG 262 CO 0.61 0.89 -0.22 0.10 -1.07 0.00 0.00 179.97 180.28 2pan h TYR 263 N 0.92 0.98 0.09 3.04 -0.00 -1.84 -2.29 116.97 117.86 2pan h TYR 263 Ca 0.20 -0.23 0.01 0.00 0.00 0.00 0.00 58.73 58.72 2pan h TYR 263 Cb 0.33 -0.23 -0.02 0.00 0.00 0.00 0.00 36.73 36.80 2pan h TYR 263 CO 0.02 0.99 -0.17 0.78 -0.00 0.00 0.00 178.16 179.78 2pan h GLY 264 N 0.94 -0.30 1.21 0.10 0.00 -1.64 -0.44 103.07 102.93 2pan h GLY 264 Ca 0.10 0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.62 2pan h GLY 264 CO 0.06 -0.16 0.43 3.43 0.00 0.00 0.00 176.54 180.29 2pan h ASN 265 N -0.33 0.93 -0.28 0.19 4.21 -1.41 -1.78 115.58 117.12 2pan h ASN 265 Ca 0.03 -0.07 -0.17 0.00 1.21 0.00 0.00 56.30 57.30 2pan h ASN 265 Cb 0.35 -0.24 -0.00 0.00 -1.12 0.00 0.00 38.32 37.31 2pan h ASN 265 CO -0.10 0.74 -0.48 0.00 -1.29 0.00 0.00 177.43 176.30 2pan h ALA 266 N 1.42 0.55 -0.39 -0.83 0.00 -1.22 -1.65 119.26 117.14 2pan h ALA 266 Ca 0.27 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 2pan h ALA 266 Cb 0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2pan h ALA 266 CO -0.05 0.68 0.19 1.15 0.00 0.00 0.00 179.25 181.23 2pan h THR 267 N 0.67 1.17 -0.38 0.00 2.02 -0.87 -1.33 112.91 114.19 2pan h THR 267 Ca 0.03 -0.46 -0.03 0.00 0.77 0.00 0.00 66.41 66.72 2pan h THR 267 Cb 1.07 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 68.22 2pan h THR 267 CO 0.11 0.18 0.13 0.25 0.37 0.00 0.00 175.52 176.55 2pan h LEU 268 N 0.49 0.54 -2.05 2.58 6.46 -1.25 -1.02 115.31 121.07 2pan h LEU 268 Ca 0.13 -0.19 -0.02 0.00 -0.12 0.00 0.00 57.88 57.69 2pan h LEU 268 Cb 0.10 -0.14 -0.00 0.00 -0.73 0.00 0.00 40.66 39.89 2pan h LEU 268 CO -0.02 0.59 -0.07 -0.07 -0.62 0.00 0.00 178.44 178.25 2pan h LEU 269 N 0.46 0.00 0.00 2.25 3.38 -1.21 -2.00 115.31 118.19 2pan h LEU 269 Ca 0.12 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 2pan h LEU 269 Cb 0.23 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 2pan h LEU 269 CO -0.01 0.07 -0.70 0.00 0.09 0.00 0.00 178.44 177.90 2pan h ALA 270 N 1.93 0.67 -2.32 1.53 0.00 -0.77 -3.48 119.26 116.81 2pan h ALA 270 Ca -0.00 -0.09 -0.51 0.00 0.00 0.00 0.00 54.91 54.31 2pan h ALA 270 Cb 0.29 0.02 0.12 0.00 0.00 0.00 0.00 17.79 18.23 2pan h ALA 270 CO 0.01 0.10 0.33 -1.54 0.00 0.00 0.00 179.25 178.15 2pan s SER 271 N -5.71 4.68 -0.33 0.00 1.04 -0.43 -4.97 113.70 107.98 2pan s SER 271 Ca 0.02 1.80 0.07 0.00 0.48 0.00 0.00 55.95 58.31 2pan s SER 271 Cb 0.08 -2.52 0.48 0.00 0.10 0.00 0.00 66.02 64.16 2pan s SER 271 CO 0.75 -1.91 1.44 -0.90 0.98 0.00 0.00 173.24 173.59 2pan n ASP 272 N -3.40 3.74 -3.60 7.02 5.75 -0.67 -4.83 116.55 120.56 2pan n ASP 272 Ca 0.09 -3.80 -0.19 0.00 -0.01 0.00 0.00 54.79 50.88 2pan n ASP 272 Cb 0.53 -0.59 -0.15 0.00 -1.03 0.00 0.00 41.12 39.88 2pan n ASP 272 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2pan s VAL 274 N -3.84 -0.24 -0.82 2.12 1.01 -0.10 -1.90 120.40 116.62 2pan s VAL 274 Ca 0.48 0.09 -0.16 0.00 0.00 0.00 0.00 61.98 62.40 2pan s VAL 274 Cb 0.42 -0.48 0.18 0.00 0.00 0.00 0.00 36.38 36.50 2pan s VAL 274 CO 0.00 -0.06 0.84 0.12 0.00 0.00 0.00 175.10 176.01 2pan s PHE 275 N 2.27 3.51 -0.28 5.22 5.36 0.48 -1.16 117.98 133.38 2pan s PHE 275 Ca 0.04 -1.72 -0.25 0.00 -0.96 0.00 0.00 56.93 54.04 2pan s PHE 275 Cb -0.14 -3.96 0.00 0.00 -0.34 0.00 0.00 43.02 38.59 2pan s PHE 275 CO -0.09 -1.15 0.88 0.20 -1.46 0.00 0.00 175.22 173.61 2pan s GLY 276 N 2.73 1.70 -0.22 13.12 0.00 0.85 -1.44 107.32 124.05 2pan s GLY 276 Ca 0.21 -0.18 0.01 0.00 0.00 0.00 0.00 44.72 44.75 2pan s GLY 276 CO -0.07 1.91 -0.08 -0.42 0.00 0.00 0.00 173.10 174.43 2pan s ILE 277 N 3.06 1.64 -0.61 0.90 1.01 -0.49 -0.39 121.20 126.33 2pan s ILE 277 Ca 0.37 -1.14 0.00 0.00 0.00 0.00 0.00 60.65 59.88 2pan s ILE 277 Cb -0.14 -1.79 0.00 0.00 0.01 0.00 0.00 42.46 40.53 2pan s ILE 277 CO 0.10 0.05 0.00 0.61 0.00 0.00 0.00 174.94 175.70 2pan n GLY 278 N 4.66 0.80 3.77 6.18 0.00 -0.26 -1.14 105.19 119.19 2pan n GLY 278 Ca -0.14 -0.47 -0.24 0.00 0.00 0.00 0.00 46.02 45.18 2pan n GLY 278 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pan s ASN 279 N -2.64 5.26 0.55 1.61 4.22 -1.26 -0.43 114.94 122.24 2pan s ASN 279 Ca 0.00 -0.31 0.07 0.00 -2.14 0.00 0.00 52.86 50.48 2pan s ASN 279 Cb 0.00 -1.27 0.05 0.00 1.28 0.00 0.00 41.25 41.31 2pan s ASN 279 CO 0.00 0.01 0.51 0.00 -2.04 0.00 0.00 177.10 175.58 2pan s ARG 280 N -3.52 2.29 -0.87 3.55 1.70 -1.26 -4.85 118.95 115.98 2pan s ARG 280 Ca 0.31 -1.88 -0.00 0.00 -0.47 0.00 0.00 55.73 53.69 2pan s ARG 280 Cb -0.08 -2.27 0.25 0.00 -0.57 0.00 0.00 34.95 32.27 2pan s ARG 280 CO 0.23 -0.66 0.92 1.19 -1.08 0.00 0.00 175.30 175.90 2pan n PHE 281 N -1.89 3.67 -1.75 5.89 3.01 -1.26 -5.04 117.46 120.08 2pan n PHE 281 Ca 0.04 -3.81 -0.42 0.00 1.01 0.00 0.00 57.45 54.27 2pan n PHE 281 Cb 0.63 -1.02 -0.00 0.00 -0.01 0.00 0.00 39.48 39.08 2pan n PHE 281 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2pan n ALA 282 N 1.73 2.15 -0.25 4.37 0.00 -1.26 -4.73 120.51 122.52 2pan n ALA 282 Ca 0.25 0.35 0.03 0.00 0.00 0.00 0.00 53.44 54.07 2pan n ALA 282 Cb 0.37 -2.39 0.08 0.00 0.00 0.00 0.00 19.45 17.51 2pan n ALA 282 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2pan n ASN 283 N 0.74 -0.30 -0.29 0.00 4.05 -1.26 -0.88 115.26 117.32 2pan n ASN 283 Ca 0.03 1.19 0.13 0.00 0.45 0.00 0.00 54.58 56.38 2pan n ASN 283 Cb 0.38 -0.34 0.44 0.00 1.23 0.00 0.00 39.78 41.49 2pan n ASN 283 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 2pan n ARG 284 N -5.10 1.04 0.07 1.20 1.74 -1.26 -1.96 116.66 112.39 2pan n ARG 284 Ca 0.10 -0.59 -0.23 0.00 -0.77 0.00 0.00 57.85 56.36 2pan n ARG 284 Cb 0.33 -1.49 -0.15 0.00 -1.02 0.00 0.00 32.46 30.13 2pan n ARG 284 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 2pan h HIS 285 N 1.44 0.69 0.05 -1.55 2.76 -1.28 0.10 115.15 117.37 2pan h HIS 285 Ca 0.00 -0.51 -0.36 0.00 -2.20 0.00 0.00 60.37 57.30 2pan h HIS 285 Cb 0.49 -0.03 -0.05 0.00 1.55 0.00 0.00 27.41 29.38 2pan h HIS 285 CO 0.00 1.59 -2.15 0.25 -1.30 0.00 0.00 177.93 176.32 2pan n THR 286 N -3.76 1.61 -4.46 6.26 -2.24 -0.69 -3.62 114.28 107.39 2pan n THR 286 Ca -0.22 -0.69 0.00 0.00 -2.27 0.00 0.00 64.05 60.87 2pan n THR 286 Cb 1.01 -1.33 0.00 0.00 -2.10 0.00 0.00 70.33 67.91 2pan n THR 286 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pan n GLY 287 N 1.96 1.12 3.68 3.38 0.00 -0.83 -4.41 105.19 110.09 2pan n GLY 287 Ca -0.34 -0.74 -0.42 0.00 0.00 0.00 0.00 46.02 44.52 2pan n GLY 287 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2pan s SER 288 N -4.00 6.57 0.30 1.61 0.01 -1.26 -4.89 113.70 112.03 2pan s SER 288 Ca 0.00 2.49 0.04 0.00 1.31 0.00 0.00 55.95 59.79 2pan s SER 288 Cb 0.00 -2.55 0.65 0.00 0.21 0.00 0.00 66.02 64.33 2pan s SER 288 CO 0.00 -0.94 1.82 0.58 0.41 0.00 0.00 173.24 175.11 2pan h VAL 289 N 5.16 0.84 -0.90 3.43 2.07 -1.95 -1.55 116.25 123.36 2pan h VAL 289 Ca -0.44 -0.30 0.05 0.00 0.82 0.00 0.00 66.70 66.83 2pan h VAL 289 Cb 1.20 -0.12 -0.06 0.00 -1.52 0.00 0.00 31.29 30.79 2pan h VAL 289 CO 0.94 0.16 0.57 -0.33 0.02 0.00 0.00 177.57 178.93 2pan h GLU 290 N 0.89 1.05 -0.13 1.57 3.07 -1.95 -1.53 114.58 117.54 2pan h GLU 290 Ca 0.52 -0.06 -0.22 0.00 -0.50 0.00 0.00 59.36 59.10 2pan h GLU 290 Cb 0.65 -0.24 0.01 0.00 -0.84 0.00 0.00 28.75 28.33 2pan h GLU 290 CO -0.29 0.69 -0.78 0.87 -1.40 0.00 0.00 179.01 178.10 2pan h LYS 291 N 1.08 0.71 -0.05 2.33 1.57 -1.68 -2.53 116.57 117.99 2pan h LYS 291 Ca 0.37 -0.59 -0.04 0.00 -1.87 0.00 0.00 60.65 58.52 2pan h LYS 291 Cb 0.08 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 2pan h LYS 291 CO -0.14 1.20 -0.16 -0.92 -0.57 0.00 0.00 179.45 178.85 2pan h TYR 292 N 0.48 0.09 0.00 -1.35 3.20 -0.97 -3.19 116.97 115.23 2pan h TYR 292 Ca -0.05 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.81 2pan h TYR 292 Cb 1.40 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.64 2pan h TYR 292 CO 0.08 0.25 -1.17 2.41 -1.64 0.00 0.00 178.16 178.08 2pan n THR 293 N -4.31 0.04 -1.69 1.81 -1.04 -0.61 -4.97 114.28 103.52 2pan n THR 293 Ca -0.02 -0.15 -0.55 0.00 -2.04 0.00 0.00 64.05 61.29 2pan n THR 293 Cb 0.25 0.57 -0.07 0.00 -1.82 0.00 0.00 70.33 69.27 2pan n THR 293 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 2pan n GLU 294 N -1.75 1.32 -2.94 -2.82 2.13 -0.96 -2.05 120.64 113.57 2pan n GLU 294 Ca 0.02 0.48 -0.21 0.00 0.66 0.00 0.00 57.16 58.12 2pan n GLU 294 Cb 0.40 -2.19 0.03 0.00 0.27 0.00 0.00 31.44 29.96 2pan n GLU 294 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2pan n GLY 295 N 3.99 -0.42 3.13 8.31 0.00 -1.26 -4.97 105.19 113.98 2pan n GLY 295 Ca 0.25 0.05 -0.12 0.00 0.00 0.00 0.00 46.02 46.20 2pan n GLY 295 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2pan s ARG 296 N -5.59 0.28 0.33 1.61 3.52 -0.87 -4.69 118.95 113.53 2pan s ARG 296 Ca 0.27 0.61 -0.15 0.00 -0.13 0.00 0.00 55.73 56.33 2pan s ARG 296 Cb -0.12 -0.08 -0.09 0.00 -1.56 0.00 0.00 34.95 33.10 2pan s ARG 296 CO 0.34 -0.16 0.75 0.15 -0.81 0.00 0.00 175.30 175.57 2pan s LYS 297 N 1.27 4.02 -0.10 5.12 1.02 -0.80 -4.93 119.74 125.33 2pan s LYS 297 Ca -0.09 0.70 0.01 0.00 0.02 0.00 0.00 55.97 56.62 2pan s LYS 297 Cb -0.09 -2.41 0.02 0.00 -0.52 0.00 0.00 37.83 34.83 2pan s LYS 297 CO -0.10 0.14 -0.12 0.42 -0.92 0.00 0.00 175.35 174.77 2pan s ILE 298 N -2.01 1.27 -0.04 2.17 -1.09 -1.26 -0.92 121.20 119.32 2pan s ILE 298 Ca 0.55 -0.50 0.01 0.00 -2.23 0.00 0.00 60.65 58.49 2pan s ILE 298 Cb -0.10 -1.20 -0.03 0.00 -1.58 0.00 0.00 42.46 39.55 2pan s ILE 298 CO 0.17 0.40 -0.05 -0.69 -1.23 0.00 0.00 174.94 173.53 2pan s VAL 299 N 1.15 3.78 -0.14 2.92 1.01 -0.31 -0.81 120.40 128.00 2pan s VAL 299 Ca -0.04 -0.57 -0.04 0.00 0.00 0.00 0.00 61.98 61.33 2pan s VAL 299 Cb -0.14 -2.60 0.05 0.00 0.00 0.00 0.00 36.38 33.69 2pan s VAL 299 CO -0.03 0.51 0.08 -2.28 0.00 0.00 0.00 175.10 173.37 2pan s HIS 300 N -0.91 0.27 -0.23 5.22 2.46 -1.26 -0.11 115.29 120.73 2pan s HIS 300 Ca 0.15 -0.25 -0.04 0.00 0.47 0.00 0.00 55.06 55.38 2pan s HIS 300 Cb -0.11 -0.69 -0.01 0.00 -0.13 0.00 0.00 32.58 31.64 2pan s HIS 300 CO 0.04 -0.45 -0.02 0.42 -2.47 0.00 0.00 174.74 172.26 2pan s ILE 301 N 2.11 3.49 0.01 0.89 1.01 0.48 -0.13 121.20 129.06 2pan s ILE 301 Ca 0.02 -0.51 -0.04 0.00 0.00 0.00 0.00 60.65 60.12 2pan s ILE 301 Cb -0.15 -2.63 -0.01 0.00 0.01 0.00 0.00 42.46 39.68 2pan s ILE 301 CO -0.08 0.37 0.07 -0.62 0.00 0.00 0.00 174.94 174.68 2pan s ASP 302 N 1.49 0.12 0.44 3.58 -1.08 -0.83 -1.10 116.67 119.29 2pan s ASP 302 Ca 0.05 -0.35 0.25 0.00 -0.52 0.00 0.00 52.55 51.98 2pan s ASP 302 Cb -0.15 0.16 0.85 0.00 -1.46 0.00 0.00 42.92 42.33 2pan s ASP 302 CO -0.02 -0.35 1.79 -0.29 0.52 0.00 0.00 175.17 176.82 2pan h ILE 303 N 4.39 0.44 -3.63 4.11 2.10 -1.76 0.15 117.51 123.32 2pan h ILE 303 Ca -0.31 -1.12 -0.67 0.00 1.08 0.00 0.00 64.86 63.83 2pan h ILE 303 Cb 1.20 1.81 -0.24 0.00 -1.09 0.00 0.00 36.82 38.50 2pan h ILE 303 CO 0.41 0.19 -0.60 -0.70 -1.08 0.00 0.00 178.15 176.38 2pan s GLU 304 N -3.54 3.32 0.23 2.19 2.56 -1.26 -4.58 118.70 117.62 2pan s GLU 304 Ca 0.02 -0.71 -0.07 0.00 0.00 0.00 0.00 54.97 54.20 2pan s GLU 304 Cb 0.09 -3.42 0.37 0.00 2.00 0.00 0.00 34.13 33.17 2pan s GLU 304 CO 0.64 -0.37 1.71 -1.35 -0.56 0.00 0.00 175.26 175.33 2pan h PRO 305 N 8.27 0.30 0.00 4.30 0.11 -1.97 -2.14 132.00 140.88 2pan h PRO 305 Ca -0.34 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.76 2pan h PRO 305 Cb 1.15 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2pan h PRO 305 CO 0.60 0.20 0.00 0.25 -0.21 0.00 0.00 178.00 178.84 2pan n THR 306 N -5.10 0.00 0.72 -1.15 -2.24 -1.26 -1.87 114.28 103.39 2pan n THR 306 Ca 0.11 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 62.01 2pan n THR 306 Cb 0.38 -0.41 0.10 0.00 -2.10 0.00 0.00 70.33 68.29 2pan n THR 306 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pan n GLN 307 N -0.85 0.19 -3.17 -0.78 1.13 -0.80 -4.57 117.38 108.52 2pan n GLN 307 Ca 0.15 0.01 -0.43 0.00 -1.94 0.00 0.00 57.00 54.79 2pan n GLN 307 Cb 0.07 -1.58 -0.07 0.00 0.11 0.00 0.00 30.24 28.77 2pan n GLN 307 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2pan s ILE 308 N -3.12 4.91 0.00 5.09 1.01 -0.78 -3.84 121.20 124.47 2pan s ILE 308 Ca 0.06 0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.82 2pan s ILE 308 Cb 0.15 -4.12 0.00 0.00 0.01 0.00 0.00 42.46 38.50 2pan s ILE 308 CO 0.76 -0.48 0.00 0.61 0.00 0.00 0.00 174.94 175.84 2pan n GLY 309 N 4.98 0.71 0.22 6.18 0.00 -1.22 -4.99 105.19 111.08 2pan n GLY 309 Ca -0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 2pan n GLY 309 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2pan h ARG 310 N 4.34 0.71 0.00 1.61 2.43 -1.81 -3.39 114.38 118.28 2pan h ARG 310 Ca 0.00 -0.49 -0.18 0.00 -0.81 0.00 0.00 59.98 58.50 2pan h ARG 310 Cb 0.00 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.59 2pan h ARG 310 CO 0.00 1.11 -1.67 0.28 -1.51 0.00 0.00 179.97 178.19 2pan n VAL 311 N -3.96 0.67 -3.99 0.20 0.31 -1.26 -5.05 118.33 105.25 2pan n VAL 311 Ca -0.05 -0.24 -0.08 0.00 -0.01 0.00 0.00 64.34 63.96 2pan n VAL 311 Cb 0.66 -1.00 -0.09 0.00 -0.91 0.00 0.00 33.84 32.49 2pan n VAL 311 CO 0.00 0.00 0.00 -1.48 -1.32 0.00 0.00 176.83 174.03 2pan s LEU 312 N -5.80 2.07 -0.35 7.52 -0.00 -1.26 -5.00 118.68 115.86 2pan s LEU 312 Ca -0.16 -0.79 -0.19 0.00 -0.00 0.00 0.00 54.13 52.99 2pan s LEU 312 Cb 0.04 0.48 -0.00 0.00 -0.00 0.00 0.00 46.19 46.72 2pan s LEU 312 CO 0.26 -0.60 0.59 0.00 -0.00 0.00 0.00 176.35 176.60 2pan s PRO 314 N 2.57 3.73 0.32 0.00 0.04 -1.26 -4.96 135.00 135.44 2pan s PRO 314 Ca 0.22 1.04 0.04 0.00 0.04 0.00 0.00 61.00 62.35 2pan s PRO 314 Cb -0.15 -2.10 0.55 0.00 0.04 0.00 0.00 34.50 32.84 2pan s PRO 314 CO 0.14 -0.46 1.81 -0.44 0.04 0.00 0.00 177.00 178.10 2pan h ASP 315 N 0.76 0.44 0.00 6.66 3.32 -1.37 -3.43 116.42 122.80 2pan h ASP 315 Ca -0.47 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.47 2pan h ASP 315 Cb 1.20 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.63 2pan h ASP 315 CO 0.60 0.61 0.00 -0.11 -1.72 0.00 0.00 179.24 178.62 2pan n LEU 316 N -4.20 0.00 -1.37 1.55 7.94 -1.12 -5.04 117.00 114.75 2pan n LEU 316 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2pan n LEU 316 Cb 0.32 -0.02 0.00 0.00 0.53 0.00 0.00 43.42 44.25 2pan n LEU 316 CO 0.40 -0.15 -0.15 0.61 -1.11 0.00 0.00 177.39 176.98 2pan n GLY 317 N 3.59 -3.80 3.02 -3.96 0.00 -1.25 -4.92 105.19 97.87 2pan n GLY 317 Ca 0.00 -0.40 -0.22 0.00 0.00 0.00 0.00 46.02 45.40 2pan n GLY 317 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pan s ILE 318 N -0.18 0.92 -0.38 -0.61 1.01 0.82 -4.94 121.20 117.83 2pan s ILE 318 Ca 0.00 -0.41 -0.22 0.00 0.00 0.00 0.00 60.65 60.02 2pan s ILE 318 Cb 0.00 -0.83 0.01 0.00 0.01 0.00 0.00 42.46 41.65 2pan s ILE 318 CO 0.00 0.29 0.69 -0.69 0.00 0.00 0.00 174.94 175.23 2pan s VAL 319 N 0.33 4.81 -0.20 2.92 1.01 -1.26 -1.96 120.40 126.05 2pan s VAL 319 Ca -0.06 0.57 -0.28 0.00 0.00 0.00 0.00 61.98 62.21 2pan s VAL 319 Cb -0.11 -4.16 0.12 0.00 0.00 0.00 0.00 36.38 32.22 2pan s VAL 319 CO 0.01 -0.44 0.96 -0.55 0.00 0.00 0.00 175.10 175.08 2pan s SER 320 N 1.88 -0.46 0.48 3.32 0.15 0.54 -4.07 113.70 115.55 2pan s SER 320 Ca 0.27 0.67 -0.24 0.00 0.70 0.00 0.00 55.95 57.35 2pan s SER 320 Cb -0.14 0.61 -0.07 0.00 -1.71 0.00 0.00 66.02 64.71 2pan s SER 320 CO 0.17 -0.30 1.39 -0.67 1.20 0.00 0.00 173.24 175.03 2pan n ASP 321 N 1.42 2.99 0.11 5.45 2.03 0.19 -2.25 116.55 126.49 2pan n ASP 321 Ca -0.12 1.06 -0.03 0.00 0.52 0.00 0.00 54.79 56.22 2pan n ASP 321 Cb 0.57 -1.58 0.13 0.00 -0.72 0.00 0.00 41.12 39.52 2pan n ASP 321 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2pan h ALA 322 N 1.94 0.89 -0.13 -1.67 0.00 -1.91 -2.18 119.26 116.20 2pan h ALA 322 Ca -0.50 -0.58 -0.08 0.00 0.00 0.00 0.00 54.91 53.75 2pan h ALA 322 Cb 1.29 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 2pan h ALA 322 CO 0.59 0.78 -0.21 -0.22 0.00 0.00 0.00 179.25 180.19 2pan h LYS 323 N 0.07 0.37 -0.56 0.00 3.64 -1.90 -1.30 116.57 116.89 2pan h LYS 323 Ca -0.01 -0.23 -0.01 0.00 -1.27 0.00 0.00 60.65 59.13 2pan h LYS 323 Cb 1.14 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.96 2pan h LYS 323 CO 0.09 0.82 0.31 0.00 -2.27 0.00 0.00 179.45 178.40 2pan h ALA 324 N 0.55 0.72 -0.51 5.00 0.00 -1.93 -1.19 119.26 121.90 2pan h ALA 324 Ca 0.01 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 2pan h ALA 324 Cb 0.79 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2pan h ALA 324 CO 0.05 0.23 0.02 0.00 0.00 0.00 0.00 179.25 179.55 2pan h ALA 325 N 1.14 0.69 -0.04 0.00 0.00 -1.42 -2.74 119.26 116.89 2pan h ALA 325 Ca 0.20 -0.28 -0.13 0.00 0.00 0.00 0.00 54.91 54.70 2pan h ALA 325 Cb 0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2pan h ALA 325 CO -0.03 0.48 -0.57 -0.07 0.00 0.00 0.00 179.25 179.06 2pan h LEU 326 N 0.76 0.13 -0.32 0.00 3.38 -1.11 -0.02 115.31 118.13 2pan h LEU 326 Ca 0.15 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.05 2pan h LEU 326 Cb 0.50 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 2pan h LEU 326 CO 0.02 0.67 0.20 0.74 0.09 0.00 0.00 178.44 180.16 2pan h THR 327 N 0.09 1.06 -0.36 0.22 2.02 -1.12 -0.99 112.91 113.83 2pan h THR 327 Ca -0.00 -0.14 -0.03 0.00 0.77 0.00 0.00 66.41 67.01 2pan h THR 327 Cb 1.03 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 68.05 2pan h THR 327 CO 0.08 0.07 0.11 -0.07 0.37 0.00 0.00 175.52 176.08 2pan h LEU 328 N 0.40 0.53 -0.79 2.58 -0.00 -1.27 -2.46 115.31 114.30 2pan h LEU 328 Ca 0.12 -0.21 0.03 0.00 -0.00 0.00 0.00 57.88 57.82 2pan h LEU 328 Cb -0.03 -0.14 -0.05 0.00 -0.00 0.00 0.00 40.66 40.45 2pan h LEU 328 CO -0.04 0.60 0.51 -0.07 -0.00 0.00 0.00 178.44 179.44 2pan h LEU 329 N 0.44 0.86 -0.31 1.67 3.38 -0.80 0.22 115.31 120.78 2pan h LEU 329 Ca 0.12 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 2pan h LEU 329 Cb 0.26 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2pan h LEU 329 CO -0.00 0.60 0.11 0.58 0.09 0.00 0.00 178.44 179.82 2pan h VAL 330 N 1.01 1.19 -0.33 1.22 2.07 -1.20 -0.24 116.25 119.97 2pan h VAL 330 Ca 0.31 -0.58 0.01 0.00 0.82 0.00 0.00 66.70 67.26 2pan h VAL 330 Cb -0.03 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 2pan h VAL 330 CO -0.10 0.20 0.19 -0.08 0.02 0.00 0.00 177.57 177.80 2pan h GLU 331 N 0.34 0.38 -0.42 1.57 4.57 -0.89 -1.02 114.58 119.12 2pan h GLU 331 Ca 0.10 -0.02 -0.15 0.00 -1.18 0.00 0.00 59.36 58.10 2pan h GLU 331 Cb 0.20 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.70 2pan h GLU 331 CO -0.01 0.25 -0.34 0.28 -1.18 0.00 0.00 179.01 178.02 2pan h VAL 332 N 0.39 1.27 -0.62 0.32 2.07 -0.54 -2.64 116.25 116.50 2pan h VAL 332 Ca 0.13 -1.51 0.02 0.00 0.82 0.00 0.00 66.70 66.16 2pan h VAL 332 Cb 0.00 1.30 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 2pan h VAL 332 CO -0.06 0.51 0.39 0.00 0.02 0.00 0.00 177.57 178.43 2pan h ALA 333 N 0.80 0.79 -0.48 1.67 0.00 -0.89 -2.77 119.26 118.39 2pan h ALA 333 Ca 0.08 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2pan h ALA 333 Cb 0.93 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 2pan h ALA 333 CO 0.09 0.16 0.20 1.96 0.00 0.00 0.00 179.25 181.66 2pan h GLN 334 N 0.78 0.68 -1.31 0.00 4.20 -1.08 -0.46 115.11 117.92 2pan h GLN 334 Ca 0.24 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.86 2pan h GLN 334 Cb -0.03 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.62 2pan h GLN 334 CO -0.08 0.56 0.00 0.39 -0.67 0.00 0.00 178.83 179.03 2pan n GLU 335 N -4.36 0.54 0.00 1.46 1.02 -1.01 -2.02 120.64 116.27 2pan n GLU 335 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 2pan n GLU 335 Cb 0.15 -1.24 0.00 0.00 -0.02 0.00 0.00 31.44 30.33 2pan n GLU 335 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 2pan n GLN 337 N 0.65 0.00 -0.06 3.49 7.27 -0.18 -2.43 117.38 126.11 2pan n GLN 337 Ca 0.00 0.00 -0.08 0.00 0.07 0.00 0.00 57.00 56.99 2pan n GLN 337 Cb 0.25 0.00 0.08 0.00 2.41 0.00 0.00 30.24 32.98 2pan n GLN 337 CO 0.00 0.00 0.00 0.87 0.07 0.00 0.00 177.06 178.00 2pan h LYS 338 N 0.00 0.73 0.00 3.69 1.57 -1.67 -3.41 116.57 117.47 2pan h LYS 338 Ca 0.00 -0.33 -0.42 0.00 -1.87 0.00 0.00 60.65 58.03 2pan h LYS 338 Cb 0.00 -0.01 0.18 0.00 0.08 0.00 0.00 32.23 32.48 2pan h LYS 338 CO 0.00 0.94 0.34 0.00 -0.57 0.00 0.00 179.45 180.16 2pan n ALA 339 N -2.51 -2.01 -1.48 3.86 0.00 -1.02 -4.98 120.51 112.37 2pan n ALA 339 Ca -0.01 -1.69 -0.36 0.00 0.00 0.00 0.00 53.44 51.39 2pan n ALA 339 Cb 0.48 -0.09 0.07 0.00 0.00 0.00 0.00 19.45 19.90 2pan n ALA 339 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pan n GLY 340 N -3.88 5.74 0.00 0.00 0.00 -1.26 -4.66 105.19 101.13 2pan n GLY 340 Ca 0.16 -2.33 0.07 0.00 0.00 0.00 0.00 46.02 43.92 2pan n GLY 340 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pan n ARG 341 N -0.78 1.68 -2.98 1.61 1.74 -1.26 -4.87 116.66 111.80 2pan n ARG 341 Ca 0.60 -0.05 -0.42 0.00 -0.77 0.00 0.00 57.85 57.21 2pan n ARG 341 Cb 0.54 -1.22 -0.05 0.00 -1.02 0.00 0.00 32.46 30.71 2pan n ARG 341 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2pan s LEU 342 N -3.16 4.09 0.67 0.55 1.43 -1.26 -4.99 118.68 116.01 2pan s LEU 342 Ca 0.01 0.71 -0.15 0.00 -1.03 0.00 0.00 54.13 53.67 2pan s LEU 342 Cb 0.10 -3.03 0.01 0.00 0.03 0.00 0.00 46.19 43.29 2pan s LEU 342 CO 0.58 -0.55 1.12 -2.16 0.23 0.00 0.00 176.35 175.57 2pan s PRO 343 N 2.83 2.70 0.12 1.29 0.04 -1.26 -5.01 135.00 135.72 2pan s PRO 343 Ca 0.31 1.45 -0.30 0.00 0.04 0.00 0.00 61.00 62.50 2pan s PRO 343 Cb -0.15 -1.93 -0.06 0.00 0.04 0.00 0.00 34.50 32.40 2pan s PRO 343 CO 0.11 -1.34 1.03 0.00 0.04 0.00 0.00 177.00 176.84 2pan n ARG 345 N 2.80 1.36 -0.13 0.00 1.74 -1.26 -4.87 116.66 116.30 2pan n ARG 345 Ca 0.03 -3.11 -0.05 0.00 -0.77 0.00 0.00 57.85 53.95 2pan n ARG 345 Cb 0.48 -1.39 0.04 0.00 -1.02 0.00 0.00 32.46 30.57 2pan n ARG 345 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 2pan h LYS 346 N 0.99 0.29 -0.04 5.56 1.63 -1.93 -2.12 116.57 120.95 2pan h LYS 346 Ca -0.03 -0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 59.75 2pan h LYS 346 Cb 1.13 -0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 32.69 2pan h LYS 346 CO 0.01 0.19 0.01 0.93 -3.45 0.00 0.00 179.45 177.15 2pan h GLU 347 N 0.30 0.06 -0.42 1.90 4.39 -1.99 -1.57 114.58 117.25 2pan h GLU 347 Ca 0.20 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.85 2pan h GLU 347 Cb 0.21 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 2pan h GLU 347 CO -0.22 0.23 0.12 2.35 -1.16 0.00 0.00 179.01 180.34 2pan h TRP 348 N -0.12 0.68 -0.97 4.33 2.91 -1.89 -1.92 115.95 118.98 2pan h TRP 348 Ca 0.01 -0.07 0.03 0.00 1.13 0.00 0.00 58.89 59.99 2pan h TRP 348 Cb 0.20 -0.20 -0.06 0.00 -0.51 0.00 0.00 29.16 28.60 2pan h TRP 348 CO -0.01 0.63 0.63 0.28 -1.03 0.00 0.00 178.44 178.95 2pan h VAL 349 N 0.54 1.18 0.25 2.65 2.07 -1.41 -2.50 116.25 119.02 2pan h VAL 349 Ca 0.13 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 2pan h VAL 349 Cb 0.28 -0.17 0.00 0.00 -1.52 0.00 0.00 31.29 29.89 2pan h VAL 349 CO -0.00 0.22 -0.12 0.00 0.02 0.00 0.00 177.57 177.69 2pan h ALA 350 N 1.39 -0.34 0.00 1.67 0.00 -0.83 -2.45 119.26 118.70 2pan h ALA 350 Ca 0.38 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2pan h ALA 350 Cb -0.02 0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2pan h ALA 350 CO -0.12 -0.63 0.00 0.38 0.00 0.00 0.00 179.25 178.89 2pan h ASP 351 N -0.46 0.00 -0.38 0.00 3.04 -1.33 -0.57 116.42 116.71 2pan h ASP 351 Ca -0.03 0.00 -0.04 0.00 -3.24 0.00 0.00 57.03 53.72 2pan h ASP 351 Cb 0.35 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.62 2pan h ASP 351 CO 0.06 0.00 0.09 0.00 -2.04 0.00 0.00 179.24 177.35 2pan h GLN 353 N 0.46 0.37 -0.57 0.00 4.20 -0.84 -2.28 115.11 116.45 2pan h GLN 353 Ca 0.12 -0.12 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 2pan h GLN 353 Cb 0.31 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 2pan h GLN 353 CO 0.00 0.58 0.20 1.96 -0.67 0.00 0.00 178.83 180.90 2pan h GLN 354 N 0.34 0.86 -0.68 1.46 1.08 -1.06 -2.35 115.11 114.77 2pan h GLN 354 Ca 0.06 -0.17 0.00 0.00 -1.45 0.00 0.00 58.65 57.09 2pan h GLN 354 Cb 0.58 -0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 27.84 2pan h GLN 354 CO 0.04 0.76 0.44 0.00 -0.95 0.00 0.00 178.83 179.12 2pan h ARG 355 N 0.78 0.90 0.00 1.46 3.08 -1.33 -2.97 114.38 116.30 2pan h ARG 355 Ca 0.19 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.17 2pan h ARG 355 Cb 0.24 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.09 2pan h ARG 355 CO -0.01 0.60 -0.04 -0.22 -1.07 0.00 0.00 179.97 179.24 2pan h LYS 356 N 0.92 0.00 -0.32 0.04 3.64 -0.90 -1.18 116.57 118.77 2pan h LYS 356 Ca 0.25 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 2pan h LYS 356 Cb -0.09 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 2pan h LYS 356 CO -0.05 0.04 0.00 2.89 -2.27 0.00 0.00 179.45 180.05 2pan n ARG 357 N -3.42 2.88 0.00 1.90 1.85 -0.98 -4.66 116.66 114.23 2pan n ARG 357 Ca -0.02 -2.08 0.00 0.00 -1.00 0.00 0.00 57.85 54.74 2pan n ARG 357 Cb 0.15 -1.30 0.00 0.00 -1.05 0.00 0.00 32.46 30.26 2pan n ARG 357 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 2pan n THR 358 N 0.36 0.00 -2.86 8.89 -2.24 -0.93 -4.65 114.28 112.86 2pan n THR 358 Ca 0.12 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.47 2pan n THR 358 Cb 0.45 -0.17 0.01 0.00 -2.10 0.00 0.00 70.33 68.52 2pan n THR 358 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2pan n LEU 359 N -1.10 6.39 -4.78 3.22 4.77 -0.49 -4.08 117.00 120.92 2pan n LEU 359 Ca 0.00 -5.03 -0.27 0.00 -0.03 0.00 0.00 56.01 50.68 2pan n LEU 359 Cb 0.15 -1.35 -0.06 0.00 -2.33 0.00 0.00 43.42 39.83 2pan n LEU 359 CO 0.00 1.56 -0.12 -0.76 -1.33 0.00 0.00 177.39 176.73 2pan s LEU 360 N -1.86 2.84 -0.03 2.23 1.43 -0.39 -3.84 118.68 119.06 2pan s LEU 360 Ca 0.34 -1.24 0.07 0.00 -1.03 0.00 0.00 54.13 52.26 2pan s LEU 360 Cb 0.05 -1.22 -0.02 0.00 0.03 0.00 0.00 46.19 45.03 2pan s LEU 360 CO 0.06 -0.75 -0.24 -0.13 0.23 0.00 0.00 176.35 175.52 2pan s ARG 361 N -3.99 2.11 0.22 1.70 0.52 -1.26 -0.95 118.95 117.30 2pan s ARG 361 Ca 0.32 -0.86 -0.30 0.00 -0.52 0.00 0.00 55.73 54.37 2pan s ARG 361 Cb 0.02 -1.95 -0.10 0.00 0.52 0.00 0.00 34.95 33.44 2pan s ARG 361 CO 0.18 0.47 1.41 0.21 0.02 0.00 0.00 175.30 177.59 2pan s LYS 362 N -0.42 4.30 0.00 3.54 2.20 -0.82 -4.62 119.74 123.92 2pan s LYS 362 Ca 0.05 2.23 0.00 0.00 -0.36 0.00 0.00 55.97 57.89 2pan s LYS 362 Cb -0.11 -3.14 0.00 0.00 -1.51 0.00 0.00 37.83 33.07 2pan s LYS 362 CO 0.00 -0.39 0.00 0.25 -0.36 0.00 0.00 175.35 174.86 2pan n THR 363 N 2.58 0.00 -2.67 3.43 -2.24 0.22 -4.90 114.28 110.70 2pan n THR 363 Ca 0.07 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.42 2pan n THR 363 Cb 0.41 -0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 2pan n THR 363 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 2pan n HIS 364 N -1.59 4.52 -4.04 4.78 -0.00 -0.58 -2.92 115.22 115.39 2pan n HIS 364 Ca 0.00 -3.10 -0.35 0.00 -0.00 0.00 0.00 57.72 54.28 2pan n HIS 364 Cb 0.20 -2.33 -0.10 0.00 -0.00 0.00 0.00 29.99 27.77 2pan n HIS 364 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 2pan s PHE 365 N 2.37 3.26 -2.28 1.57 0.40 -1.26 -4.97 117.98 117.06 2pan s PHE 365 Ca 0.46 0.09 0.21 0.00 -0.60 0.00 0.00 56.93 57.09 2pan s PHE 365 Cb 0.02 -2.04 0.53 0.00 0.51 0.00 0.00 43.02 42.04 2pan s PHE 365 CO 0.02 0.21 1.44 -0.25 0.70 0.00 0.00 175.22 177.34 2pan n ASP 366 N 3.33 2.90 -4.70 1.36 8.00 -1.26 -4.86 116.55 121.32 2pan n ASP 366 Ca -0.17 -1.93 -0.37 0.00 0.71 0.00 0.00 54.79 53.03 2pan n ASP 366 Cb 0.52 -0.26 0.07 0.00 -0.02 0.00 0.00 41.12 41.43 2pan n ASP 366 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2pan n ASN 367 N 1.11 1.69 -3.80 -2.24 4.13 -1.26 -4.83 115.26 110.06 2pan n ASN 367 Ca 0.19 0.82 -0.23 0.00 1.68 0.00 0.00 54.58 57.03 2pan n ASN 367 Cb 0.50 -1.51 -0.17 0.00 -1.54 0.00 0.00 39.78 37.06 2pan n ASN 367 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2pan s VAL 368 N -1.42 0.47 0.77 2.41 1.01 -1.26 -3.78 120.40 118.60 2pan s VAL 368 Ca 0.81 0.04 -0.12 0.00 0.00 0.00 0.00 61.98 62.71 2pan s VAL 368 Cb -0.39 -0.60 0.06 0.00 0.00 0.00 0.00 36.38 35.45 2pan s VAL 368 CO 0.42 0.27 1.14 -2.16 0.00 0.00 0.00 175.10 174.77 2pan s PRO 369 N 1.81 2.06 0.28 2.72 0.04 -1.26 -5.11 135.00 135.54 2pan s PRO 369 Ca 0.03 1.45 -0.29 0.00 0.04 0.00 0.00 61.00 62.23 2pan s PRO 369 Cb -0.13 -1.85 -0.10 0.00 0.04 0.00 0.00 34.50 32.46 2pan s PRO 369 CO -0.05 -1.84 1.27 0.08 0.04 0.00 0.00 177.00 176.51 2pan s VAL 370 N -2.49 2.99 0.05 -0.36 1.01 -1.19 -4.28 120.40 116.14 2pan s VAL 370 Ca 0.67 0.93 -0.25 0.00 0.00 0.00 0.00 61.98 63.34 2pan s VAL 370 Cb -0.22 -3.59 -0.06 0.00 0.00 0.00 0.00 36.38 32.51 2pan s VAL 370 CO 0.51 0.20 0.75 -0.54 0.00 0.00 0.00 175.10 176.01 2pan s LYS 371 N -1.20 4.48 0.45 2.72 1.02 -1.26 -0.83 119.74 125.12 2pan s LYS 371 Ca 0.51 1.04 0.12 0.00 0.02 0.00 0.00 55.97 57.66 2pan s LYS 371 Cb -0.37 -3.35 1.02 0.00 -0.52 0.00 0.00 37.83 34.60 2pan s LYS 371 CO 0.46 0.33 2.05 -1.00 -0.92 0.00 0.00 175.35 176.27 2pan h PRO 372 N 5.49 0.20 0.00 -1.68 0.13 -1.95 -1.94 132.00 132.25 2pan h PRO 372 Ca -0.44 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.65 2pan h PRO 372 Cb 1.21 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 2pan h PRO 372 CO 0.70 0.21 -0.07 -0.56 -0.23 0.00 0.00 178.00 178.04 2pan h GLN 373 N 0.20 0.00 0.00 0.86 -0.00 -1.92 -0.84 115.11 113.42 2pan h GLN 373 Ca 0.05 0.00 -0.10 0.00 -0.00 0.00 0.00 58.65 58.60 2pan h GLN 373 Cb 0.10 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.57 2pan h GLN 373 CO -0.00 0.07 -0.48 -0.09 -0.00 0.00 0.00 178.83 178.33 2pan h ARG 374 N 0.00 0.00 -0.50 0.06 9.65 -1.22 -3.16 114.38 119.21 2pan h ARG 374 Ca -0.00 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.84 2pan h ARG 374 Cb 0.33 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.88 2pan h ARG 374 CO 0.01 0.48 0.16 0.28 2.80 0.00 0.00 179.97 183.70 2pan h VAL 375 N 0.00 1.23 -0.14 0.20 2.07 -1.24 -2.67 116.25 115.69 2pan h VAL 375 Ca -0.00 -0.76 -0.13 0.00 0.82 0.00 0.00 66.70 66.62 2pan h VAL 375 Cb 0.87 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 2pan h VAL 375 CO 0.06 0.28 -0.48 1.88 0.02 0.00 0.00 177.57 179.33 2pan h TYR 376 N 0.68 0.45 -0.26 1.57 -1.99 -1.56 -2.64 116.97 113.22 2pan h TYR 376 Ca 0.16 -0.14 0.03 0.00 2.00 0.00 0.00 58.73 60.78 2pan h TYR 376 Cb 0.27 -0.09 -0.03 0.00 2.00 0.00 0.00 36.73 38.88 2pan h TYR 376 CO 0.01 0.79 0.06 1.49 -0.00 0.00 0.00 178.16 180.51 2pan h GLU 377 N 0.30 0.16 -1.70 4.88 4.81 -1.50 -2.11 114.58 119.41 2pan h GLU 377 Ca 0.02 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2pan h GLU 377 Cb 0.96 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.31 2pan h GLU 377 CO 0.08 0.11 0.00 0.39 -0.73 0.00 0.00 179.01 178.86 2pan n GLU 378 N -5.07 0.38 0.00 1.92 -0.58 -1.00 -2.44 120.64 113.85 2pan n GLU 378 Ca -0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.73 2pan n GLU 378 Cb 0.11 -1.31 0.00 0.00 -0.57 0.00 0.00 31.44 29.67 2pan n GLU 378 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2pan n ASN 380 N 1.03 0.00 -0.11 1.62 3.02 -0.80 -0.90 115.26 119.11 2pan n ASN 380 Ca 0.00 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.43 2pan n ASN 380 Cb 0.19 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.33 2pan n ASN 380 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 2pan h LYS 381 N 0.00 0.72 0.01 3.52 1.57 -1.76 -3.35 116.57 117.28 2pan h LYS 381 Ca 0.00 -0.32 -0.19 0.00 -1.87 0.00 0.00 60.65 58.26 2pan h LYS 381 Cb 0.00 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 2pan h LYS 381 CO 0.00 0.93 -0.90 0.00 -0.57 0.00 0.00 179.45 178.91 2pan h ALA 382 N 0.77 0.51 -3.12 3.86 0.00 -1.31 -3.46 119.26 116.52 2pan h ALA 382 Ca 0.07 -0.79 -0.63 0.00 0.00 0.00 0.00 54.91 53.57 2pan h ALA 382 Cb 0.72 -0.12 -0.09 0.00 0.00 0.00 0.00 17.79 18.31 2pan h ALA 382 CO 0.05 1.05 -0.61 -0.06 0.00 0.00 0.00 179.25 179.68 2pan s PHE 383 N -3.02 3.12 1.07 0.00 0.40 -1.26 -5.03 117.98 113.28 2pan s PHE 383 Ca -0.01 0.03 -0.17 0.00 -0.60 0.00 0.00 56.93 56.18 2pan s PHE 383 Cb 0.10 -1.57 0.24 0.00 0.51 0.00 0.00 43.02 42.30 2pan s PHE 383 CO 0.81 0.51 1.21 0.20 0.70 0.00 0.00 175.22 178.65 2pan s GLY 384 N -2.53 1.67 0.47 4.36 0.00 -1.26 -4.85 107.32 105.18 2pan s GLY 384 Ca 0.29 -1.04 0.26 0.00 0.00 0.00 0.00 44.72 44.23 2pan s GLY 384 CO 0.21 -0.23 1.87 0.07 0.00 0.00 0.00 173.10 175.03 2pan h ARG 385 N -2.09 0.00 -0.18 2.90 0.11 -1.95 -2.75 114.38 110.42 2pan h ARG 385 Ca -0.45 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.63 2pan h ARG 385 Cb 1.27 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.35 2pan h ARG 385 CO 0.38 0.16 0.00 -0.40 0.10 0.00 0.00 179.97 180.21 2pan n ASP 386 N -3.33 0.99 -4.71 0.08 3.85 -1.26 -4.35 116.55 107.81 2pan n ASP 386 Ca 0.00 -1.99 -0.39 0.00 -0.71 0.00 0.00 54.79 51.70 2pan n ASP 386 Cb 0.39 -0.12 0.04 0.00 -1.35 0.00 0.00 41.12 40.08 2pan n ASP 386 CO 0.00 0.00 0.00 0.55 -1.01 0.00 0.00 177.20 176.74 2pan n VAL 387 N 0.04 3.78 -3.90 2.12 3.14 -1.04 -4.43 118.33 118.03 2pan n VAL 387 Ca 0.06 -0.50 -0.30 0.00 -2.96 0.00 0.00 64.34 60.64 2pan n VAL 387 Cb 0.16 -1.54 -0.16 0.00 -1.06 0.00 0.00 33.84 31.24 2pan n VAL 387 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2pan s TYR 389 N 1.47 3.72 -0.09 0.00 4.12 -0.62 -0.64 117.35 125.29 2pan s TYR 389 Ca -0.05 1.08 0.03 0.00 0.02 0.00 0.00 57.07 58.15 2pan s TYR 389 Cb -0.19 -2.42 0.01 0.00 -1.52 0.00 0.00 41.96 37.84 2pan s TYR 389 CO -0.07 0.53 -0.17 0.08 0.02 0.00 0.00 175.55 175.94 2pan s VAL 390 N -0.74 1.57 0.33 0.71 1.01 -0.59 -0.90 120.40 121.78 2pan s VAL 390 Ca 0.26 -0.72 -0.15 0.00 0.00 0.00 0.00 61.98 61.37 2pan s VAL 390 Cb -0.17 -1.40 0.03 0.00 0.00 0.00 0.00 36.38 34.83 2pan s VAL 390 CO 0.15 0.45 0.68 0.28 0.00 0.00 0.00 175.10 176.67 2pan s THR 391 N 0.68 0.00 0.00 3.92 -1.32 -0.86 -1.19 115.64 116.88 2pan s THR 391 Ca -0.13 -1.13 0.00 0.00 -1.21 0.00 0.00 61.69 59.22 2pan s THR 391 Cb -0.16 -2.46 0.00 0.00 -1.51 0.00 0.00 72.50 68.37 2pan s THR 391 CO 0.03 0.00 0.00 0.41 -2.21 0.00 0.00 174.62 172.85 2pan n THR 392 N -0.49 0.00 -3.59 5.08 -1.04 -1.26 -4.02 114.28 108.96 2pan n THR 392 Ca -0.05 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 61.81 2pan n THR 392 Cb 0.60 -0.14 -0.06 0.00 -1.82 0.00 0.00 70.33 68.91 2pan n THR 392 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 2pan s ILE 393 N 0.00 0.03 0.00 12.58 2.07 -1.26 -4.71 121.20 129.91 2pan s ILE 393 Ca 0.00 -0.21 0.00 0.00 -1.41 0.00 0.00 60.65 59.03 2pan s ILE 393 Cb 0.00 -0.92 0.00 0.00 0.13 0.00 0.00 42.46 41.67 2pan s ILE 393 CO 0.00 -0.12 0.00 0.61 -1.91 0.00 0.00 174.94 173.52 2pan n GLY 394 N 0.69 1.74 0.24 1.50 0.00 -1.26 -4.58 105.19 103.53 2pan n GLY 394 Ca -0.19 -2.05 0.06 0.00 0.00 0.00 0.00 46.02 43.84 2pan n GLY 394 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2pan h LEU 395 N 0.00 0.01 -0.25 0.99 3.38 -1.95 -1.20 115.31 116.29 2pan h LEU 395 Ca 0.00 -0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.03 2pan h LEU 395 Cb 0.00 -0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.68 2pan h LEU 395 CO 0.00 0.13 -0.25 0.77 0.09 0.00 0.00 178.44 179.17 2pan h SER 396 N 0.01 -0.81 0.98 -0.43 4.64 -1.94 -2.26 113.55 113.75 2pan h SER 396 Ca 0.00 0.14 -0.18 0.00 -0.47 0.00 0.00 61.79 61.28 2pan h SER 396 Cb 0.21 0.38 -0.03 0.00 -0.31 0.00 0.00 62.40 62.65 2pan h SER 396 CO 0.01 -0.29 -1.08 0.06 -0.87 0.00 0.00 176.83 174.67 2pan h GLN 397 N -0.26 0.00 0.22 4.77 -0.00 -1.71 -2.71 115.11 115.43 2pan h GLN 397 Ca 0.14 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.78 2pan h GLN 397 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.95 2pan h GLN 397 CO -0.40 0.58 -0.11 0.82 -0.00 0.00 0.00 178.83 179.73 2pan h ILE 398 N 0.00 0.84 -0.43 1.86 2.04 -1.22 0.25 117.51 120.86 2pan h ILE 398 Ca -0.09 -0.40 -0.05 0.00 1.00 0.00 0.00 64.86 65.31 2pan h ILE 398 Cb 1.65 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 38.79 2pan h ILE 398 CO 0.08 0.09 0.05 0.00 0.00 0.00 0.00 178.15 178.37 2pan h ALA 399 N 0.22 1.30 -0.47 1.87 0.00 -1.54 -1.85 119.26 118.79 2pan h ALA 399 Ca -0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 2pan h ALA 399 Cb 0.38 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2pan h ALA 399 CO 0.05 0.48 0.27 0.00 0.00 0.00 0.00 179.25 180.05 2pan h ALA 400 N 1.43 0.60 -0.12 0.00 0.00 -1.39 -2.79 119.26 116.99 2pan h ALA 400 Ca 0.14 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 2pan h ALA 400 Cb 0.32 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2pan h ALA 400 CO 0.01 0.12 -0.19 0.00 0.00 0.00 0.00 179.25 179.19 2pan h ALA 401 N 1.11 1.46 -0.40 0.00 0.00 -0.50 0.12 119.26 121.05 2pan h ALA 401 Ca 0.17 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 2pan h ALA 401 Cb 0.03 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 2pan h ALA 401 CO -0.03 0.38 0.07 0.00 0.00 0.00 0.00 179.25 179.67 2pan n GLN 402 N -4.23 3.19 0.00 0.00 10.64 -0.73 -4.81 117.38 121.44 2pan n GLN 402 Ca -0.01 -1.97 0.00 0.00 -1.83 0.00 0.00 57.00 53.19 2pan n GLN 402 Cb 0.30 -1.95 0.00 0.00 -0.86 0.00 0.00 30.24 27.74 2pan n GLN 402 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 2pan n LEU 404 N 0.24 0.00 -4.04 2.61 4.77 0.40 -4.91 117.00 116.07 2pan n LEU 404 Ca 0.21 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 56.01 2pan n LEU 404 Cb 0.91 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.86 2pan n LEU 404 CO 0.23 0.00 -0.43 -1.00 -1.33 0.00 0.00 177.39 174.87 2pan s HIS 405 N 0.00 0.81 0.04 -1.77 3.76 -1.26 -5.11 115.29 111.76 2pan s HIS 405 Ca 0.00 -0.24 0.05 0.00 -0.15 0.00 0.00 55.06 54.72 2pan s HIS 405 Cb 0.00 -0.51 -0.02 0.00 1.11 0.00 0.00 32.58 33.16 2pan s HIS 405 CO 0.00 -0.01 -0.14 0.08 -0.85 0.00 0.00 174.74 173.82 2pan s VAL 406 N -0.52 1.08 -0.01 -0.90 1.01 -1.26 -5.02 120.40 114.78 2pan s VAL 406 Ca 0.01 -0.96 0.02 0.00 0.00 0.00 0.00 61.98 61.04 2pan s VAL 406 Cb -0.05 -0.98 0.03 0.00 0.00 0.00 0.00 36.38 35.38 2pan s VAL 406 CO 0.00 0.01 0.81 0.49 0.00 0.00 0.00 175.10 176.41 2pan n PHE 407 N 1.96 0.00 -3.47 5.22 3.01 -1.26 -2.45 117.46 120.46 2pan n PHE 407 Ca -0.18 -0.29 -0.11 0.00 1.01 0.00 0.00 57.45 57.88 2pan n PHE 407 Cb 0.55 -0.04 -0.02 0.00 -0.01 0.00 0.00 39.48 39.96 2pan n PHE 407 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 2pan s LYS 408 N -0.66 1.33 0.34 -1.08 2.20 -1.25 -4.56 119.74 116.05 2pan s LYS 408 Ca 0.03 -0.53 -0.27 0.00 -0.36 0.00 0.00 55.97 54.85 2pan s LYS 408 Cb 0.03 0.59 -0.09 0.00 -1.51 0.00 0.00 37.83 36.85 2pan s LYS 408 CO 0.00 -0.58 1.04 0.16 -0.36 0.00 0.00 175.35 175.61 2pan s ASP 409 N -2.77 7.09 -1.36 1.43 1.47 -0.82 -3.15 116.67 118.57 2pan s ASP 409 Ca 0.02 2.07 0.00 0.00 1.18 0.00 0.00 52.55 55.82 2pan s ASP 409 Cb -0.01 -2.60 0.00 0.00 -0.34 0.00 0.00 42.92 39.97 2pan s ASP 409 CO -0.11 -0.26 0.00 0.54 0.68 0.00 0.00 175.17 176.02 2pan n ARG 410 N 0.55 -1.19 -0.21 2.11 1.74 -1.26 -4.88 116.66 113.51 2pan n ARG 410 Ca 0.02 0.79 0.07 0.00 -0.77 0.00 0.00 57.85 57.96 2pan n ARG 410 Cb 0.48 -5.10 0.18 0.00 -1.02 0.00 0.00 32.46 27.00 2pan n ARG 410 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 2pan n HIS 411 N -3.77 0.56 -3.78 -1.55 8.25 -1.19 -4.74 115.22 109.01 2pan n HIS 411 Ca -0.18 -0.51 -0.30 0.00 -0.26 0.00 0.00 57.72 56.48 2pan n HIS 411 Cb 0.61 -0.03 -0.15 0.00 1.12 0.00 0.00 29.99 31.55 2pan n HIS 411 CO 0.00 0.00 0.00 -0.46 0.64 0.00 0.00 176.34 176.52 2pan s TRP 412 N -1.03 2.04 -0.45 4.41 -0.11 -1.26 -1.60 118.94 120.93 2pan s TRP 412 Ca 0.28 -1.96 -0.14 0.00 1.22 0.00 0.00 56.10 55.50 2pan s TRP 412 Cb 0.15 -1.91 0.07 0.00 -1.50 0.00 0.00 33.47 30.28 2pan s TRP 412 CO 0.18 -0.89 0.35 0.42 -4.62 0.00 0.00 176.95 172.40 2pan s ILE 413 N 1.46 4.98 -0.14 5.86 -1.09 -0.08 -5.01 121.20 127.18 2pan s ILE 413 Ca 0.10 -1.12 -0.06 0.00 -2.23 0.00 0.00 60.65 57.34 2pan s ILE 413 Cb -0.18 -3.98 0.06 0.00 -1.58 0.00 0.00 42.46 36.79 2pan s ILE 413 CO -0.22 -0.54 0.31 0.21 -1.23 0.00 0.00 174.94 173.47 2pan s ASN 414 N 2.42 -0.13 -1.23 3.58 2.47 -1.26 -2.02 114.94 118.77 2pan s ASN 414 Ca 0.04 0.69 -0.20 0.00 0.42 0.00 0.00 52.86 53.82 2pan s ASN 414 Cb -0.24 0.71 0.04 0.00 -1.45 0.00 0.00 41.25 40.32 2pan s ASN 414 CO 0.06 -0.20 1.74 0.00 -3.72 0.00 0.00 177.10 174.97 2pan h GLY 416 N 13.60 0.00 0.12 0.00 0.00 -1.94 -1.90 103.07 112.96 2pan h GLY 416 Ca 0.37 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 47.33 2pan h GLY 416 CO 1.41 0.00 -2.34 -0.18 0.00 0.00 0.00 176.54 175.43 2pan n GLN 417 N -3.74 0.67 -0.10 4.80 -0.06 -1.26 -4.69 117.38 113.00 2pan n GLN 417 Ca -0.01 0.09 -0.14 0.00 -2.00 0.00 0.00 57.00 54.95 2pan n GLN 417 Cb 0.43 -1.56 -0.11 0.00 -4.06 0.00 0.00 30.24 24.94 2pan n GLN 417 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2pan n ALA 418 N -2.94 1.53 -3.96 1.69 0.00 -1.25 -5.05 120.51 110.53 2pan n ALA 418 Ca -0.36 -1.01 -0.38 0.00 0.00 0.00 0.00 53.44 51.69 2pan n ALA 418 Cb 1.08 -0.04 0.01 0.00 0.00 0.00 0.00 19.45 20.50 2pan n ALA 418 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pan n GLY 419 N 2.30 -0.74 3.69 0.00 0.00 -0.71 -4.90 105.19 104.82 2pan n GLY 419 Ca -0.36 0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 2pan n GLY 419 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2pan s PRO 420 N -6.87 4.44 0.40 1.61 0.04 -1.26 -4.76 135.00 128.60 2pan s PRO 420 Ca 0.38 1.46 -0.27 0.00 0.04 0.00 0.00 61.00 62.61 2pan s PRO 420 Cb -0.18 -3.52 -0.10 0.00 0.04 0.00 0.00 34.50 30.74 2pan s PRO 420 CO 0.93 -0.27 1.48 1.28 0.04 0.00 0.00 177.00 180.46 2pan n LEU 421 N 4.74 4.94 0.00 -3.56 4.77 -1.26 -2.46 117.00 124.17 2pan n LEU 421 Ca 0.08 1.20 0.00 0.00 -0.03 0.00 0.00 56.01 57.26 2pan n LEU 421 Cb 0.49 -1.62 0.00 0.00 -2.33 0.00 0.00 43.42 39.95 2pan n LEU 421 CO 0.53 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 2pan n GLY 422 N 0.47 0.11 0.28 -0.72 0.00 -1.23 -4.88 105.19 99.23 2pan n GLY 422 Ca 0.02 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.01 2pan n GLY 422 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 2pan h TRP 423 N 0.00 0.75 0.10 1.61 7.01 -1.78 -3.36 115.95 120.28 2pan h TRP 423 Ca 0.00 -0.09 -0.01 0.00 2.11 0.00 0.00 58.89 60.90 2pan h TRP 423 Cb 0.00 -0.21 0.00 0.00 -2.10 0.00 0.00 29.16 26.85 2pan h TRP 423 CO 0.00 0.70 -0.05 1.15 -2.79 0.00 0.00 178.44 177.45 2pan h THR 424 N 0.67 0.91 0.89 2.65 2.02 -1.89 -1.28 112.91 116.89 2pan h THR 424 Ca 0.14 -0.06 -0.04 0.00 0.77 0.00 0.00 66.41 67.22 2pan h THR 424 Cb 0.41 0.95 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 2pan h THR 424 CO 0.02 0.01 -0.47 0.40 0.37 0.00 0.00 175.52 175.85 2pan h ILE 425 N -0.16 0.05 -0.83 3.11 2.04 -1.92 -1.04 117.51 118.75 2pan h ILE 425 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.85 2pan h ILE 425 Cb 0.13 0.05 -0.04 0.00 -0.74 0.00 0.00 36.82 36.22 2pan h ILE 425 CO 0.02 0.00 0.53 1.55 0.00 0.00 0.00 178.15 180.25 2pan h PRO 426 N -1.25 1.11 -0.54 2.37 0.13 -1.76 -1.86 132.00 130.21 2pan h PRO 426 Ca -0.12 -0.08 0.06 0.00 -0.87 0.00 0.00 66.00 64.99 2pan h PRO 426 Cb 0.97 -0.24 -0.05 0.00 0.13 0.00 0.00 31.00 31.81 2pan h PRO 426 CO 0.17 0.76 0.25 0.00 -0.23 0.00 0.00 178.00 178.96 2pan h ALA 427 N 1.29 0.70 -0.42 -0.56 0.00 -1.17 -0.09 119.26 119.00 2pan h ALA 427 Ca 0.30 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.27 2pan h ALA 427 Cb -0.09 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 2pan h ALA 427 CO -0.06 -0.11 0.24 0.00 0.00 0.00 0.00 179.25 179.31 2pan h ALA 428 N 1.32 0.54 -0.56 0.00 0.00 -0.85 -1.82 119.26 117.89 2pan h ALA 428 Ca 0.25 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 2pan h ALA 428 Cb 0.21 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 2pan h ALA 428 CO -0.20 -0.10 0.25 -0.07 0.00 0.00 0.00 179.25 179.13 2pan h LEU 429 N 0.48 0.72 -0.71 0.00 3.38 -0.63 -1.82 115.31 116.73 2pan h LEU 429 Ca 0.17 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 2pan h LEU 429 Cb 0.04 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 2pan h LEU 429 CO -0.09 0.63 0.13 1.23 0.09 0.00 0.00 178.44 180.43 2pan h GLY 430 N 0.91 1.20 0.96 0.83 0.00 -0.59 -1.12 103.07 105.26 2pan h GLY 430 Ca 0.19 -0.78 -0.03 0.00 0.00 0.00 0.00 47.33 46.71 2pan h GLY 430 CO -0.02 0.73 0.15 -2.08 0.00 0.00 0.00 176.54 175.31 2pan h VAL 431 N 1.05 1.22 -0.63 4.60 2.07 -0.97 -1.40 116.25 122.19 2pan h VAL 431 Ca 0.21 -0.71 -0.04 0.00 0.82 0.00 0.00 66.70 66.97 2pan h VAL 431 Cb 0.42 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 2pan h VAL 431 CO 0.01 0.26 0.21 0.00 0.02 0.00 0.00 177.57 178.07 2pan h ALA 433 N 1.32 1.10 -0.12 0.00 0.00 -1.10 -2.78 119.26 117.67 2pan h ALA 433 Ca 0.21 -0.39 -0.13 0.00 0.00 0.00 0.00 54.91 54.60 2pan h ALA 433 Cb 0.24 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2pan h ALA 433 CO -0.01 0.57 -0.49 0.00 0.00 0.00 0.00 179.25 179.32 2pan h ALA 434 N 1.34 0.94 -1.70 0.00 0.00 -0.57 -3.42 119.26 115.86 2pan h ALA 434 Ca 0.03 -0.47 -0.22 0.00 0.00 0.00 0.00 54.91 54.25 2pan h ALA 434 Cb 0.76 -0.09 -0.28 0.00 0.00 0.00 0.00 17.79 18.18 2pan h ALA 434 CO 0.06 0.66 -0.56 0.34 0.00 0.00 0.00 179.25 179.74 2pan s ASP 435 N -6.88 0.39 0.33 0.00 2.15 -0.28 -5.02 116.67 107.36 2pan s ASP 435 Ca -0.05 -0.70 0.23 0.00 0.43 0.00 0.00 52.55 52.46 2pan s ASP 435 Cb 0.13 1.06 1.20 0.00 -0.30 0.00 0.00 42.92 45.01 2pan s ASP 435 CO 0.79 -0.32 1.69 -2.65 -0.17 0.00 0.00 175.17 174.52 2pan n PRO 436 N 5.01 0.15 0.05 4.34 -0.02 -1.06 -1.75 135.00 141.72 2pan n PRO 436 Ca 0.04 0.63 0.12 0.00 -2.02 0.00 0.00 63.50 62.27 2pan n PRO 436 Cb 0.49 -1.97 0.23 0.00 -0.02 0.00 0.00 33.50 32.23 2pan n PRO 436 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2pan n LYS 437 N -2.29 0.22 -2.20 -0.52 4.76 -1.26 -4.93 118.16 111.94 2pan n LYS 437 Ca -0.01 0.07 -0.42 0.00 -2.87 0.00 0.00 58.31 55.08 2pan n LYS 437 Cb 0.05 -1.65 -0.03 0.00 -1.84 0.00 0.00 35.03 31.56 2pan n LYS 437 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 2pan s ARG 438 N -3.12 4.32 -1.35 1.97 6.06 -0.72 -4.93 118.95 121.18 2pan s ARG 438 Ca 0.08 2.03 -0.16 0.00 -2.50 0.00 0.00 55.73 55.18 2pan s ARG 438 Cb 0.14 -3.34 0.07 0.00 0.06 0.00 0.00 34.95 31.89 2pan s ARG 438 CO 0.70 -0.46 1.90 -1.71 -2.50 0.00 0.00 175.30 173.24 2pan n ASN 439 N 4.31 4.58 -4.71 -2.12 5.15 -1.26 -4.97 115.26 116.24 2pan n ASN 439 Ca 0.12 -2.91 -0.41 0.00 -0.60 0.00 0.00 54.58 50.77 2pan n ASN 439 Cb 0.43 -1.68 -0.03 0.00 -0.53 0.00 0.00 39.78 37.96 2pan n ASN 439 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2pan s VAL 440 N 3.36 4.90 -0.07 3.44 1.01 -1.26 -1.28 120.40 130.50 2pan s VAL 440 Ca 0.49 1.87 -0.01 0.00 0.00 0.00 0.00 61.98 64.34 2pan s VAL 440 Cb 0.07 -4.24 0.03 0.00 0.00 0.00 0.00 36.38 32.25 2pan s VAL 440 CO 0.01 0.15 -0.02 -0.69 0.00 0.00 0.00 175.10 174.55 2pan s VAL 441 N 1.17 0.51 0.03 2.92 1.01 0.19 -2.63 120.40 123.61 2pan s VAL 441 Ca 0.47 0.00 -0.00 0.00 0.00 0.00 0.00 61.98 62.45 2pan s VAL 441 Cb -0.19 -0.62 -0.04 0.00 0.00 0.00 0.00 36.38 35.52 2pan s VAL 441 CO 0.23 0.27 0.15 0.00 0.00 0.00 0.00 175.10 175.75 2pan s ALA 442 N 1.70 3.81 -0.12 5.51 0.00 0.11 -1.55 121.76 131.23 2pan s ALA 442 Ca 0.01 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 51.14 2pan s ALA 442 Cb -0.13 -1.70 0.01 0.00 0.00 0.00 0.00 23.12 21.30 2pan s ALA 442 CO -0.05 0.76 -0.22 0.42 0.00 0.00 0.00 175.76 176.68 2pan s ILE 443 N -1.37 2.01 0.03 0.00 1.09 -0.33 0.09 121.20 122.73 2pan s ILE 443 Ca 0.29 -0.97 0.01 0.00 -1.10 0.00 0.00 60.65 58.88 2pan s ILE 443 Cb -0.13 -1.77 -0.02 0.00 -1.06 0.00 0.00 42.46 39.48 2pan s ILE 443 CO 0.22 0.54 -0.05 -0.44 -0.10 0.00 0.00 174.94 175.11 2pan s SER 444 N 0.63 0.49 0.77 3.58 0.01 -0.43 -4.41 113.70 114.34 2pan s SER 444 Ca -0.12 -0.59 -0.09 0.00 1.31 0.00 0.00 55.95 56.45 2pan s SER 444 Cb -0.16 0.09 0.08 0.00 0.21 0.00 0.00 66.02 66.24 2pan s SER 444 CO 0.02 -0.31 1.11 -0.83 0.41 0.00 0.00 173.24 173.64 2pan s GLY 445 N -1.74 1.66 0.29 3.44 0.00 -1.26 -0.95 107.32 108.77 2pan s GLY 445 Ca -0.10 -0.86 -0.00 0.00 0.00 0.00 0.00 44.72 43.75 2pan s GLY 445 CO -0.02 -0.39 1.84 1.29 0.00 0.00 0.00 173.10 175.82 2pan h ASP 446 N -0.87 0.71 -0.09 1.64 2.03 -1.86 -1.69 116.42 116.30 2pan h ASP 446 Ca -0.45 -0.13 -0.05 0.00 -0.73 0.00 0.00 57.03 55.67 2pan h ASP 446 Cb 1.31 -0.19 -0.00 0.00 -0.83 0.00 0.00 39.33 39.63 2pan h ASP 446 CO 0.60 0.71 -0.15 0.15 -1.03 0.00 0.00 179.24 179.53 2pan h PHE 447 N 0.74 0.32 -0.64 4.15 3.57 -1.93 -2.45 116.94 120.70 2pan h PHE 447 Ca 0.16 -0.11 0.06 0.00 3.53 0.00 0.00 57.97 61.61 2pan h PHE 447 Cb 0.29 -0.06 -0.05 0.00 2.79 0.00 0.00 35.95 38.92 2pan h PHE 447 CO 0.02 0.74 0.35 0.22 -2.23 0.00 0.00 178.31 177.41 2pan h ASP 448 N -0.20 0.51 -0.68 0.41 3.58 -1.90 -2.47 116.42 115.67 2pan h ASP 448 Ca 0.01 0.03 0.05 0.00 0.42 0.00 0.00 57.03 57.53 2pan h ASP 448 Cb 0.72 -0.07 -0.04 0.00 1.72 0.00 0.00 39.33 41.66 2pan h ASP 448 CO 0.03 0.33 0.45 0.15 -2.88 0.00 0.00 179.24 177.32 2pan h PHE 449 N 0.65 0.75 0.11 0.28 3.57 -1.23 -3.13 116.94 117.93 2pan h PHE 449 Ca 0.29 0.02 -0.26 0.00 3.53 0.00 0.00 57.97 61.54 2pan h PHE 449 Cb 0.19 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 38.68 2pan h PHE 449 CO -0.09 0.42 -1.19 1.96 -2.23 0.00 0.00 178.31 177.19 2pan h GLN 450 N 0.77 0.28 -0.81 1.11 4.20 -0.98 -3.13 115.11 116.54 2pan h GLN 450 Ca 0.28 -0.44 0.12 0.00 0.06 0.00 0.00 58.65 58.67 2pan h GLN 450 Cb 0.15 0.16 -0.13 0.00 0.30 0.00 0.00 27.48 27.95 2pan h GLN 450 CO -0.08 1.19 -0.40 0.74 -0.67 0.00 0.00 178.83 179.61 2pan h PHE 451 N 0.09 -1.13 -1.05 2.96 -1.00 -1.44 -2.79 116.94 112.57 2pan h PHE 451 Ca -0.12 0.09 -0.51 0.00 2.81 0.00 0.00 57.97 60.25 2pan h PHE 451 Cb 1.91 0.61 -0.42 0.00 3.61 0.00 0.00 35.95 41.66 2pan h PHE 451 CO 0.06 -0.40 -0.87 1.28 -1.61 0.00 0.00 178.31 176.77 2pan n LEU 452 N -5.43 4.00 0.26 1.54 4.77 -1.26 -4.89 117.00 115.98 2pan n LEU 452 Ca 0.06 -4.60 0.09 0.00 -0.03 0.00 0.00 56.01 51.53 2pan n LEU 452 Cb 0.37 -0.19 0.65 0.00 -2.33 0.00 0.00 43.42 41.91 2pan n LEU 452 CO -0.07 1.97 1.03 -0.29 -1.33 0.00 0.00 177.39 178.69 2pan h ILE 453 N 2.84 0.95 0.00 -0.08 2.10 -1.43 -2.69 117.51 119.20 2pan h ILE 453 Ca 0.22 -0.19 -0.00 0.00 1.08 0.00 0.00 64.86 65.97 2pan h ILE 453 Cb 1.21 1.11 -0.00 0.00 -1.09 0.00 0.00 36.82 38.05 2pan h ILE 453 CO 0.70 0.05 -0.01 1.05 -1.08 0.00 0.00 178.15 178.86 2pan h GLU 454 N 0.00 0.00 0.00 2.19 9.09 -1.89 -2.84 114.58 121.14 2pan h GLU 454 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2pan h GLU 454 Cb 0.10 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.20 2pan h GLU 454 CO 0.01 0.01 0.00 0.93 0.05 0.00 0.00 179.01 180.01 2pan h GLU 455 N 0.00 0.00 -0.81 1.06 4.39 -1.82 -1.64 114.58 115.77 2pan h GLU 455 Ca -0.00 0.00 0.13 0.00 0.34 0.00 0.00 59.36 59.83 2pan h GLU 455 Cb 0.28 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.87 2pan h GLU 455 CO 0.00 0.00 0.53 -0.07 -1.16 0.00 0.00 179.01 178.31 2pan h LEU 456 N 0.00 0.54 -1.82 1.33 3.38 -1.73 -1.61 115.31 115.41 2pan h LEU 456 Ca 0.00 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 2pan h LEU 456 Cb 0.27 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 2pan h LEU 456 CO 0.00 0.29 -0.08 0.00 0.09 0.00 0.00 178.44 178.74 2pan h ALA 457 N 1.62 1.10 -0.24 1.53 0.00 -1.41 -1.49 119.26 120.37 2pan h ALA 457 Ca 0.40 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 2pan h ALA 457 Cb 0.71 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2pan h ALA 457 CO -0.15 0.10 0.03 0.28 0.00 0.00 0.00 179.25 179.51 2pan h VAL 458 N 0.00 1.23 0.00 0.00 2.07 -1.45 0.22 116.25 118.33 2pan h VAL 458 Ca -0.00 -0.78 -0.00 0.00 0.82 0.00 0.00 66.70 66.74 2pan h VAL 458 Cb 0.41 1.29 -0.00 0.00 -1.52 0.00 0.00 31.29 31.46 2pan h VAL 458 CO 0.01 0.25 -0.02 1.23 0.02 0.00 0.00 177.57 179.05 2pan h GLY 459 N 0.20 0.00 0.05 2.17 0.00 -1.22 -2.05 103.07 102.21 2pan h GLY 459 Ca 0.07 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.34 2pan h GLY 459 CO 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 176.54 176.20 2pan h ALA 460 N 1.98 0.06 0.63 3.60 0.00 -1.17 -2.25 119.26 122.11 2pan h ALA 460 Ca -0.00 -0.67 -0.03 0.00 0.00 0.00 0.00 54.91 54.21 2pan h ALA 460 Cb 0.04 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2pan h ALA 460 CO 0.00 0.19 -0.33 0.37 0.00 0.00 0.00 179.25 179.48 2pan h GLN 461 N -0.95 -0.85 -6.63 0.00 4.15 -0.82 -3.38 115.11 106.62 2pan h GLN 461 Ca -0.09 0.06 -0.51 0.00 0.77 0.00 0.00 58.65 58.88 2pan h GLN 461 Cb 1.12 0.19 -0.03 0.00 0.21 0.00 0.00 27.48 28.97 2pan h GLN 461 CO -0.03 -0.57 0.06 -0.06 -1.93 0.00 0.00 178.83 176.30 2pan s PHE 462 N -6.05 3.45 -1.15 3.99 0.40 -0.78 -5.00 117.98 112.84 2pan s PHE 462 Ca -0.18 1.20 -0.10 0.00 -0.60 0.00 0.00 56.93 57.25 2pan s PHE 462 Cb 0.04 -2.51 0.25 0.00 0.51 0.00 0.00 43.02 41.31 2pan s PHE 462 CO 0.62 0.19 1.24 0.09 0.70 0.00 0.00 175.22 178.06 2pan n ASN 463 N -0.03 5.47 -4.16 1.36 4.13 -1.26 -4.34 115.26 116.43 2pan n ASN 463 Ca 0.01 -3.04 -0.39 0.00 1.68 0.00 0.00 54.58 52.85 2pan n ASN 463 Cb 0.52 -1.43 -0.09 0.00 -1.54 0.00 0.00 39.78 37.24 2pan n ASN 463 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2pan s ILE 464 N -0.52 3.93 0.13 2.41 1.01 -0.85 -4.84 121.20 122.48 2pan s ILE 464 Ca 0.35 -2.36 -0.20 0.00 0.00 0.00 0.00 60.65 58.43 2pan s ILE 464 Cb -0.07 -3.58 -0.07 0.00 0.01 0.00 0.00 42.46 38.74 2pan s ILE 464 CO -0.05 -0.82 0.65 -2.16 0.00 0.00 0.00 174.94 172.56 2pan s PRO 465 N 0.65 4.28 0.31 2.79 0.04 -1.26 -3.65 135.00 138.16 2pan s PRO 465 Ca 0.12 0.84 -0.19 0.00 0.04 0.00 0.00 61.00 61.81 2pan s PRO 465 Cb -0.22 -3.14 0.04 0.00 0.04 0.00 0.00 34.50 31.22 2pan s PRO 465 CO -0.03 0.56 0.79 1.52 0.04 0.00 0.00 177.00 179.88 2pan s TYR 466 N -1.23 -0.03 -0.16 0.56 -0.85 -1.26 -4.89 117.35 109.48 2pan s TYR 466 Ca 0.34 -0.52 -0.04 0.00 -0.52 0.00 0.00 57.07 56.33 2pan s TYR 466 Cb -0.19 0.77 -0.03 0.00 0.38 0.00 0.00 41.96 42.89 2pan s TYR 466 CO 0.21 -1.34 -0.04 0.42 -1.52 0.00 0.00 175.55 173.28 2pan s ILE 467 N -3.01 3.84 -0.29 -3.49 1.01 -1.08 -1.45 121.20 116.72 2pan s ILE 467 Ca 0.14 -0.37 -0.03 0.00 0.00 0.00 0.00 60.65 60.39 2pan s ILE 467 Cb -0.05 -2.69 0.04 0.00 0.01 0.00 0.00 42.46 39.77 2pan s ILE 467 CO 0.09 0.48 0.00 -2.28 0.00 0.00 0.00 174.94 173.23 2pan s HIS 468 N 0.50 3.22 -0.25 3.97 2.46 -0.30 -0.71 115.29 124.17 2pan s HIS 468 Ca -0.03 -1.71 -0.23 0.00 0.47 0.00 0.00 55.06 53.55 2pan s HIS 468 Cb -0.14 -2.12 -0.01 0.00 -0.13 0.00 0.00 32.58 30.17 2pan s HIS 468 CO 0.03 -0.77 0.77 0.08 -2.47 0.00 0.00 174.74 172.38 2pan s VAL 469 N 1.30 4.88 -0.29 0.89 1.01 0.11 -0.64 120.40 127.66 2pan s VAL 469 Ca -0.03 1.40 -0.03 0.00 0.00 0.00 0.00 61.98 63.32 2pan s VAL 469 Cb -0.19 -4.07 0.03 0.00 0.00 0.00 0.00 36.38 32.16 2pan s VAL 469 CO -0.01 -0.06 0.01 -0.22 0.00 0.00 0.00 175.10 174.82 2pan s LEU 470 N 2.75 3.69 -0.40 3.92 2.96 -0.04 -1.31 118.68 130.25 2pan s LEU 470 Ca 0.32 -0.99 -0.16 0.00 -0.22 0.00 0.00 54.13 53.08 2pan s LEU 470 Cb -0.15 -1.75 0.02 0.00 0.50 0.00 0.00 46.19 44.80 2pan s LEU 470 CO 0.08 -0.21 0.34 0.68 -1.32 0.00 0.00 176.35 175.93 2pan s VAL 471 N 1.35 5.20 -0.30 1.68 -7.23 -0.12 -0.35 120.40 120.63 2pan s VAL 471 Ca -0.01 -0.49 -0.06 0.00 -1.81 0.00 0.00 61.98 59.61 2pan s VAL 471 Cb -0.18 -3.94 0.01 0.00 0.56 0.00 0.00 36.38 32.83 2pan s VAL 471 CO -0.01 -0.31 0.07 0.21 -0.31 0.00 0.00 175.10 174.75 2pan s ASN 472 N 1.73 5.08 -0.03 4.85 2.47 -0.36 -3.24 114.94 125.44 2pan s ASN 472 Ca 0.08 -0.77 0.05 0.00 0.42 0.00 0.00 52.86 52.63 2pan s ASN 472 Cb -0.18 -1.86 0.10 0.00 -1.45 0.00 0.00 41.25 37.86 2pan s ASN 472 CO 0.11 -0.20 1.07 -0.46 -3.72 0.00 0.00 177.10 173.90 2pan n ASN 473 N 4.84 2.23 -4.05 -4.21 0.23 -1.26 -0.90 115.26 112.13 2pan n ASN 473 Ca -0.14 -2.21 -0.33 0.00 -0.53 0.00 0.00 54.58 51.37 2pan n ASN 473 Cb 0.47 -0.12 0.00 0.00 -2.08 0.00 0.00 39.78 38.06 2pan n ASN 473 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2pan n ALA 474 N -0.53 -1.31 -3.22 -2.53 0.00 -1.26 -4.67 120.51 107.00 2pan n ALA 474 Ca 0.05 0.08 -0.13 0.00 0.00 0.00 0.00 53.44 53.44 2pan n ALA 474 Cb 0.35 -3.90 -0.08 0.00 0.00 0.00 0.00 19.45 15.82 2pan n ALA 474 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2pan s TYR 475 N -3.32 -0.18 -1.15 0.00 1.51 -1.26 -1.65 117.35 111.29 2pan s TYR 475 Ca 0.67 0.24 -0.20 0.00 -1.01 0.00 0.00 57.07 56.77 2pan s TYR 475 Cb -0.35 0.10 0.08 0.00 -0.11 0.00 0.00 41.96 41.68 2pan s TYR 475 CO 0.88 -0.40 1.54 -0.51 -1.11 0.00 0.00 175.55 175.95 2pan s LEU 476 N -1.40 3.95 0.09 -1.29 1.43 0.13 -4.65 118.68 116.95 2pan s LEU 476 Ca -0.13 -2.09 -0.29 0.00 -1.03 0.00 0.00 54.13 50.59 2pan s LEU 476 Cb -0.05 -2.54 -0.13 0.00 0.03 0.00 0.00 46.19 43.50 2pan s LEU 476 CO 0.04 -1.24 1.65 1.23 0.23 0.00 0.00 176.35 178.25 2pan h GLY 477 N 12.16 -0.59 0.82 -3.19 0.00 -1.96 -1.18 103.07 109.14 2pan h GLY 477 Ca 0.31 0.28 0.04 0.00 0.00 0.00 0.00 47.33 47.97 2pan h GLY 477 CO 1.39 -0.23 0.57 -2.00 0.00 0.00 0.00 176.54 176.27 2pan h LEU 478 N -0.56 0.94 -0.21 3.11 5.85 -1.92 -1.44 115.31 121.08 2pan h LEU 478 Ca -0.02 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.60 2pan h LEU 478 Cb 0.50 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.33 2pan h LEU 478 CO -0.03 0.63 -0.28 0.40 -0.34 0.00 0.00 178.44 178.82 2pan h ILE 479 N 1.09 1.33 -0.60 4.05 1.08 -1.94 -1.25 117.51 121.27 2pan h ILE 479 Ca 0.37 -1.48 0.11 0.00 -0.39 0.00 0.00 64.86 63.47 2pan h ILE 479 Cb 0.06 1.80 -0.08 0.00 -3.07 0.00 0.00 36.82 35.53 2pan h ILE 479 CO -0.14 0.45 0.16 -0.09 -0.69 0.00 0.00 178.15 177.84 2pan h ARG 480 N 0.23 0.29 -0.61 2.37 2.43 -0.87 -0.20 114.38 118.02 2pan h ARG 480 Ca 0.02 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 2pan h ARG 480 Cb 0.85 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.31 2pan h ARG 480 CO 0.07 0.19 0.32 0.37 -1.51 0.00 0.00 179.97 179.41 2pan h GLN 481 N 0.30 0.85 0.00 0.20 4.15 -1.04 -2.63 115.11 116.95 2pan h GLN 481 Ca 0.31 -0.11 -0.03 0.00 0.77 0.00 0.00 58.65 59.59 2pan h GLN 481 Cb 0.45 -0.16 -0.00 0.00 0.21 0.00 0.00 27.48 27.97 2pan h GLN 481 CO -0.38 0.66 -0.16 0.66 -1.93 0.00 0.00 178.83 177.69 2pan h SER 482 N 0.82 0.00 0.71 -0.69 4.64 -0.48 -2.57 113.55 115.98 2pan h SER 482 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 2pan h SER 482 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 2pan h SER 482 CO -0.03 0.16 0.00 0.00 -0.87 0.00 0.00 176.83 176.08 2pan n GLN 483 N -3.57 0.13 -0.35 4.77 6.02 -0.16 -3.55 117.38 120.67 2pan n GLN 483 Ca -0.01 0.07 0.00 0.00 -0.01 0.00 0.00 57.00 57.04 2pan n GLN 483 Cb 0.30 -1.50 0.14 0.00 1.02 0.00 0.00 30.24 30.19 2pan n GLN 483 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2pan h ARG 484 N 0.00 1.16 0.00 -1.09 3.08 -1.46 -1.66 114.38 114.41 2pan h ARG 484 Ca 0.00 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 2pan h ARG 484 Cb 0.35 -0.26 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 2pan h ARG 484 CO 0.00 0.76 -0.02 0.00 -1.07 0.00 0.00 179.97 179.64 2pan h ALA 485 N 1.40 1.84 -0.34 0.04 0.00 -1.79 -0.85 119.26 119.55 2pan h ALA 485 Ca 0.39 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.28 2pan h ALA 485 Cb 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2pan h ALA 485 CO -0.13 0.02 0.00 1.19 0.00 0.00 0.00 179.25 180.33 2pan n PHE 486 N -4.33 0.45 -3.23 0.00 3.01 -0.68 -5.23 117.46 107.45 2pan n PHE 486 Ca -0.03 -0.22 -0.13 0.00 1.01 0.00 0.00 57.45 58.08 2pan n PHE 486 Cb 0.11 0.00 0.05 0.00 -0.01 0.00 0.00 39.48 39.63 2pan n PHE 486 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 2pan n ASP 487 N 0.95 -6.83 -3.14 4.37 4.64 -0.33 -5.11 116.55 111.09 2pan n ASP 487 Ca 0.18 -0.59 0.02 0.00 -1.38 0.00 0.00 54.79 53.02 2pan n ASP 487 Cb 0.46 -5.14 -0.01 0.00 -1.04 0.00 0.00 41.12 35.40 2pan n ASP 487 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 2pan s ASP 489 N -3.31 -1.36 -0.12 1.67 -1.08 -1.26 -5.05 116.67 106.16 2pan s ASP 489 Ca 0.36 -0.48 -0.04 0.00 -0.52 0.00 0.00 52.55 51.87 2pan s ASP 489 Cb -0.05 1.76 0.06 0.00 -1.46 0.00 0.00 42.92 43.23 2pan s ASP 489 CO 0.75 -0.17 0.18 -0.47 0.52 0.00 0.00 175.17 175.97 2pan s TYR 490 N 2.10 -0.20 -1.52 -5.34 5.04 -1.26 -4.84 117.35 111.32 2pan s TYR 490 Ca 0.15 0.51 0.00 0.00 -2.44 0.00 0.00 57.07 55.29 2pan s TYR 490 Cb -0.04 -0.29 0.00 0.00 0.35 0.00 0.00 41.96 41.98 2pan s TYR 490 CO -0.12 -0.36 0.00 0.00 -1.34 0.00 0.00 175.55 173.72 2pan n VAL 492 N -3.58 0.00 -3.54 0.00 0.24 -1.26 -4.99 118.33 105.20 2pan n VAL 492 Ca -0.19 -0.49 -0.38 0.00 -2.04 0.00 0.00 64.34 61.24 2pan n VAL 492 Cb 0.62 1.04 -0.06 0.00 -1.47 0.00 0.00 33.84 33.97 2pan n VAL 492 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2pan s GLN 493 N -0.29 3.87 0.00 7.34 -0.21 -1.26 0.23 119.66 129.33 2pan s GLN 493 Ca 0.02 0.36 0.09 0.00 0.02 0.00 0.00 55.36 55.85 2pan s GLN 493 Cb 0.02 -3.21 0.12 0.00 1.00 0.00 0.00 33.01 30.93 2pan s GLN 493 CO 0.03 0.70 0.89 1.28 -2.12 0.00 0.00 175.29 176.07 2pan n LEU 494 N 1.81 2.01 -4.76 2.90 4.77 -0.66 -4.93 117.00 118.14 2pan n LEU 494 Ca -0.14 -1.25 -0.41 0.00 -0.03 0.00 0.00 56.01 54.18 2pan n LEU 494 Cb 0.53 -0.05 -0.04 0.00 -2.33 0.00 0.00 43.42 41.53 2pan n LEU 494 CO 0.37 0.43 0.85 0.00 -1.33 0.00 0.00 177.39 177.71 2pan s ALA 495 N -0.82 3.43 0.18 -1.18 0.00 -1.23 -4.58 121.76 117.57 2pan s ALA 495 Ca 0.13 0.99 -0.22 0.00 0.00 0.00 0.00 51.96 52.85 2pan s ALA 495 Cb 0.08 -3.37 0.06 0.00 0.00 0.00 0.00 23.12 19.89 2pan s ALA 495 CO 0.12 -0.30 0.61 -0.59 0.00 0.00 0.00 175.76 175.60 2pan s PHE 496 N -0.98 -0.47 -0.52 0.00 -0.12 -1.10 -4.87 117.98 109.91 2pan s PHE 496 Ca 0.47 0.22 -0.28 0.00 -0.05 0.00 0.00 56.93 57.29 2pan s PHE 496 Cb -0.34 0.57 0.01 0.00 -0.63 0.00 0.00 43.02 42.64 2pan s PHE 496 CO 0.43 -0.91 1.42 -1.21 -0.05 0.00 0.00 175.22 174.91 2pan s GLU 497 N -3.78 3.37 -0.20 1.99 0.41 -1.26 -1.91 118.70 117.33 2pan s GLU 497 Ca 0.03 0.61 -0.29 0.00 -0.41 0.00 0.00 54.97 54.90 2pan s GLU 497 Cb -0.02 -4.10 -0.02 0.00 -1.78 0.00 0.00 34.13 28.21 2pan s GLU 497 CO -0.10 -1.84 1.45 1.21 -0.49 0.00 0.00 175.26 175.49 2pan s ASN 498 N 4.37 6.65 0.11 -0.19 3.84 -1.26 -4.88 114.94 123.57 2pan s ASN 498 Ca 0.56 1.65 0.16 0.00 0.21 0.00 0.00 52.86 55.43 2pan s ASN 498 Cb -0.12 -2.54 0.69 0.00 -0.55 0.00 0.00 41.25 38.74 2pan s ASN 498 CO 0.27 -1.03 1.49 2.30 -2.79 0.00 0.00 177.10 177.35 2pan n ILE 499 N 5.92 1.10 0.67 -5.21 -5.35 -1.26 -2.00 119.36 113.23 2pan n ILE 499 Ca 0.16 0.33 0.07 0.00 -0.27 0.00 0.00 62.75 63.04 2pan n ILE 499 Cb 0.45 -1.19 0.01 0.00 -1.74 0.00 0.00 39.64 37.17 2pan n ILE 499 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 2pan n ASN 500 N -1.80 1.67 -3.36 7.28 5.03 -1.26 -4.94 115.26 117.88 2pan n ASN 500 Ca 0.02 -1.34 -0.15 0.00 0.87 0.00 0.00 54.58 53.98 2pan n ASN 500 Cb 0.15 0.40 -0.08 0.00 -1.02 0.00 0.00 39.78 39.23 2pan n ASN 500 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 2pan s SER 501 N -1.73 1.14 0.26 6.41 0.01 -0.85 -4.98 113.70 113.96 2pan s SER 501 Ca 0.13 -1.14 0.03 0.00 1.31 0.00 0.00 55.95 56.28 2pan s SER 501 Cb 0.12 0.66 0.34 0.00 0.21 0.00 0.00 66.02 67.36 2pan s SER 501 CO 0.35 -0.31 1.65 0.28 0.41 0.00 0.00 173.24 175.62 2pan h SER 502 N 7.58 0.41 -0.64 2.44 0.02 -1.93 -3.30 113.55 118.13 2pan h SER 502 Ca -0.02 -0.17 0.17 0.00 -0.84 0.00 0.00 61.79 60.92 2pan h SER 502 Cb 1.07 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 63.47 2pan h SER 502 CO 0.25 0.77 0.45 1.05 -1.14 0.00 0.00 176.83 178.21 2pan h GLU 503 N 0.32 0.10 -0.00 3.45 9.09 -1.95 0.09 114.58 125.69 2pan h GLU 503 Ca 0.03 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.43 2pan h GLU 503 Cb 0.86 -0.02 0.00 0.00 -1.65 0.00 0.00 28.75 27.93 2pan h GLU 503 CO 0.07 0.07 -0.00 1.33 0.05 0.00 0.00 179.01 180.52 2pan n VAL 504 N -4.39 0.00 -3.80 -1.06 0.24 -1.24 -4.95 118.33 103.13 2pan n VAL 504 Ca 0.12 -0.00 -0.25 0.00 -2.04 0.00 0.00 64.34 62.17 2pan n VAL 504 Cb 0.64 -0.50 0.02 0.00 -1.47 0.00 0.00 33.84 32.54 2pan n VAL 504 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2pan n ASN 505 N -1.18 -2.24 -0.74 -1.34 3.02 0.02 -1.82 115.26 110.99 2pan n ASN 505 Ca 0.18 -0.83 -0.10 0.00 -0.03 0.00 0.00 54.58 53.80 2pan n ASN 505 Cb 0.19 -3.88 -0.04 0.00 -0.61 0.00 0.00 39.78 35.44 2pan n ASN 505 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2pan n GLY 506 N -1.65 1.12 0.01 7.41 0.00 -1.26 -4.89 105.19 105.93 2pan n GLY 506 Ca -0.19 -0.50 0.14 0.00 0.00 0.00 0.00 46.02 45.46 2pan n GLY 506 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2pan n TYR 507 N -2.68 0.13 0.00 1.61 4.02 -0.75 -2.72 117.16 116.77 2pan n TYR 507 Ca -0.10 0.04 0.00 0.00 -0.01 0.00 0.00 57.90 57.83 2pan n TYR 507 Cb 0.34 -0.55 0.00 0.00 -0.02 0.00 0.00 39.34 39.11 2pan n TYR 507 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2pan n GLY 508 N 1.47 0.95 3.75 2.72 0.00 -0.80 -4.34 105.19 108.94 2pan n GLY 508 Ca 0.07 -0.93 -0.41 0.00 0.00 0.00 0.00 46.02 44.75 2pan n GLY 508 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pan s VAL 509 N 0.00 2.59 -0.83 1.61 1.01 -1.26 -4.47 120.40 119.04 2pan s VAL 509 Ca 0.00 0.50 -0.17 0.00 0.00 0.00 0.00 61.98 62.31 2pan s VAL 509 Cb 0.00 -3.32 0.16 0.00 0.00 0.00 0.00 36.38 33.22 2pan s VAL 509 CO 0.00 0.08 0.91 -0.62 0.00 0.00 0.00 175.10 175.48 2pan s ASP 510 N 0.33 6.61 0.46 3.32 -1.08 -1.26 -4.90 116.67 120.15 2pan s ASP 510 Ca 0.59 -2.21 0.20 0.00 -0.52 0.00 0.00 52.55 50.61 2pan s ASP 510 Cb -0.42 -2.31 1.11 0.00 -1.46 0.00 0.00 42.92 39.84 2pan s ASP 510 CO 0.45 -0.87 1.97 0.45 0.52 0.00 0.00 175.17 177.68 2pan h HIS 511 N 8.46 0.00 -0.04 -5.34 3.86 -1.99 -1.99 115.15 118.11 2pan h HIS 511 Ca 0.07 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.27 2pan h HIS 511 Cb 1.04 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.51 2pan h HIS 511 CO 1.06 0.21 0.01 0.28 0.86 0.00 0.00 177.93 180.35 2pan h VAL 512 N 0.00 1.21 -0.69 2.45 2.07 -1.95 -0.30 116.25 119.04 2pan h VAL 512 Ca -0.00 -0.63 -0.07 0.00 0.82 0.00 0.00 66.70 66.82 2pan h VAL 512 Cb 0.46 1.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.75 2pan h VAL 512 CO 0.03 0.17 0.17 0.11 0.02 0.00 0.00 177.57 178.07 2pan h LYS 513 N -0.18 1.11 -0.30 1.57 1.57 -1.93 -1.45 116.57 116.96 2pan h LYS 513 Ca 0.01 -0.27 -0.02 0.00 -1.87 0.00 0.00 60.65 58.51 2pan h LYS 513 Cb 0.27 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 2pan h LYS 513 CO 0.00 0.98 0.11 0.28 -0.57 0.00 0.00 179.45 180.25 2pan h VAL 514 N 1.04 1.19 -0.65 0.50 2.07 -1.35 -1.34 116.25 117.71 2pan h VAL 514 Ca 0.22 -0.59 -0.06 0.00 0.82 0.00 0.00 66.70 67.09 2pan h VAL 514 Cb 0.37 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 2pan h VAL 514 CO 0.00 0.20 0.18 0.00 0.02 0.00 0.00 177.57 177.97 2pan h ALA 515 N 0.95 0.85 -0.45 1.67 0.00 -0.95 -1.96 119.26 119.38 2pan h ALA 515 Ca 0.10 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 2pan h ALA 515 Cb 0.21 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2pan h ALA 515 CO -0.01 0.55 -0.17 0.93 0.00 0.00 0.00 179.25 180.55 2pan h GLU 516 N 0.95 0.92 -0.46 0.00 5.08 -1.21 -1.20 114.58 118.66 2pan h GLU 516 Ca 0.21 -0.38 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 2pan h GLU 516 Cb 0.33 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 2pan h GLU 516 CO -0.00 1.04 0.30 0.78 -1.00 0.00 0.00 179.01 180.12 2pan h GLY 517 N 0.75 0.65 1.01 -3.84 0.00 -1.10 -1.33 103.07 99.21 2pan h GLY 517 Ca 0.11 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.19 2pan h GLY 517 CO 0.06 0.24 0.00 1.04 0.00 0.00 0.00 176.54 177.88 2pan n LEU 518 N -4.46 0.00 0.00 3.11 4.77 -0.75 -4.88 117.00 114.79 2pan n LEU 518 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 2pan n LEU 518 Cb 0.06 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 2pan n LEU 518 CO 0.36 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 2pan n GLY 519 N 0.85 0.93 3.97 -0.72 0.00 -0.50 -3.90 105.19 105.82 2pan n GLY 519 Ca 0.22 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.03 2pan n GLY 519 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pan s LYS 521 N -4.45 2.81 -0.15 0.00 -0.14 -1.10 -3.93 119.74 112.77 2pan s LYS 521 Ca 0.51 -0.84 -0.17 0.00 -1.36 0.00 0.00 55.97 54.12 2pan s LYS 521 Cb -0.05 -2.63 0.04 0.00 -1.68 0.00 0.00 37.83 33.52 2pan s LYS 521 CO 0.32 0.51 0.45 0.00 -0.76 0.00 0.00 175.35 175.87 2pan s ALA 522 N -1.59 -1.13 -0.03 5.17 0.00 -1.26 -0.78 121.76 122.14 2pan s ALA 522 Ca 0.30 1.20 0.04 0.00 0.00 0.00 0.00 51.96 53.49 2pan s ALA 522 Cb -0.11 -0.63 -0.00 0.00 0.00 0.00 0.00 23.12 22.38 2pan s ALA 522 CO 0.22 -0.23 -0.13 0.42 0.00 0.00 0.00 175.76 176.04 2pan s ILE 523 N 0.01 1.07 -0.10 0.00 1.01 0.24 -4.95 121.20 118.48 2pan s ILE 523 Ca -0.02 -0.54 -0.01 0.00 0.00 0.00 0.00 60.65 60.08 2pan s ILE 523 Cb -0.03 -0.92 -0.03 0.00 0.01 0.00 0.00 42.46 41.49 2pan s ILE 523 CO 0.01 0.32 -0.04 -0.60 0.00 0.00 0.00 174.94 174.63 2pan s ARG 524 N -0.01 3.12 -0.11 2.79 3.52 -1.26 -0.14 118.95 126.86 2pan s ARG 524 Ca -0.01 -0.51 0.02 0.00 -0.13 0.00 0.00 55.73 55.11 2pan s ARG 524 Cb -0.08 -2.75 0.01 0.00 -1.56 0.00 0.00 34.95 30.57 2pan s ARG 524 CO 0.01 0.53 -0.17 0.08 -0.81 0.00 0.00 175.30 174.94 2pan s VAL 525 N -0.42 1.60 -0.11 7.11 1.01 0.34 -4.97 120.40 124.95 2pan s VAL 525 Ca 0.07 -0.71 0.17 0.00 0.00 0.00 0.00 61.98 61.51 2pan s VAL 525 Cb -0.12 -1.44 -0.24 0.00 0.00 0.00 0.00 36.38 34.57 2pan s VAL 525 CO 0.02 0.46 0.20 0.49 0.00 0.00 0.00 175.10 176.27 2pan n PHE 526 N 4.10 0.00 -4.82 5.22 3.72 -1.26 -1.61 117.46 122.81 2pan n PHE 526 Ca -0.19 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 56.90 2pan n PHE 526 Cb 0.51 -0.68 -0.14 0.00 -0.94 0.00 0.00 39.48 38.24 2pan n PHE 526 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 2pan s LYS 527 N -2.78 1.84 0.36 -1.08 1.02 -1.26 -4.39 119.74 113.45 2pan s LYS 527 Ca -0.08 -1.10 0.05 0.00 0.02 0.00 0.00 55.97 54.87 2pan s LYS 527 Cb 0.08 -2.02 0.69 0.00 -0.52 0.00 0.00 37.83 36.05 2pan s LYS 527 CO 0.74 0.52 1.94 -1.35 -0.92 0.00 0.00 175.35 176.27 2pan h PRO 528 N 4.67 0.54 0.00 -1.68 0.11 -1.88 -2.15 132.00 131.61 2pan h PRO 528 Ca -0.47 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 65.56 2pan h PRO 528 Cb 1.15 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2pan h PRO 528 CO 0.44 0.49 0.00 1.05 -0.21 0.00 0.00 178.00 179.77 2pan h GLU 529 N 0.54 0.00 -0.01 1.05 9.09 -1.95 -2.82 114.58 120.47 2pan h GLU 529 Ca 0.13 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.54 2pan h GLU 529 Cb 0.19 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.29 2pan h GLU 529 CO -0.01 0.00 -0.10 -0.25 0.05 0.00 0.00 179.01 178.71 2pan n ASP 530 N -2.57 0.77 -0.03 3.06 8.00 -0.81 -4.28 116.55 120.69 2pan n ASP 530 Ca 0.02 -0.91 -0.13 0.00 0.71 0.00 0.00 54.79 54.47 2pan n ASP 530 Cb 0.27 -0.01 -0.10 0.00 -0.02 0.00 0.00 41.12 41.27 2pan n ASP 530 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 2pan h ILE 531 N 1.05 1.43 0.04 0.53 2.04 -1.58 -2.62 117.51 118.40 2pan h ILE 531 Ca 0.00 -1.42 0.01 0.00 1.00 0.00 0.00 64.86 64.45 2pan h ILE 531 Cb 0.38 2.27 -0.02 0.00 -0.74 0.00 0.00 36.82 38.71 2pan h ILE 531 CO 0.00 0.39 -0.09 0.00 0.00 0.00 0.00 178.15 178.44 2pan h ALA 532 N 0.46 -0.14 -0.51 1.87 0.00 -1.78 -2.12 119.26 117.04 2pan h ALA 532 Ca 0.00 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.93 2pan h ALA 532 Cb 0.67 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 2pan h ALA 532 CO 0.02 -0.60 0.34 -1.35 0.00 0.00 0.00 179.25 177.66 2pan h PRO 533 N -0.18 0.60 -0.60 0.00 0.11 -1.79 -2.53 132.00 127.61 2pan h PRO 533 Ca 0.02 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.07 2pan h PRO 533 Cb 0.21 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 31.15 2pan h PRO 533 CO -0.07 0.40 0.29 0.00 -0.21 0.00 0.00 178.00 178.41 2pan h ALA 534 N 1.70 0.77 -0.60 -0.75 0.00 -1.05 -0.57 119.26 118.77 2pan h ALA 534 Ca 0.20 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 2pan h ALA 534 Cb 0.04 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 2pan h ALA 534 CO -0.05 0.33 0.20 0.74 0.00 0.00 0.00 179.25 180.47 2pan h PHE 535 N 0.81 0.91 -0.32 0.00 0.04 -0.99 0.12 116.94 117.52 2pan h PHE 535 Ca 0.20 -0.07 -0.05 0.00 2.80 0.00 0.00 57.97 60.86 2pan h PHE 535 Cb 0.12 -0.27 -0.01 0.00 2.20 0.00 0.00 35.95 37.98 2pan h PHE 535 CO -0.00 0.73 -0.00 0.93 -0.60 0.00 0.00 178.31 179.36 2pan h GLU 536 N 0.87 0.56 -0.65 1.51 4.39 -1.17 -1.91 114.58 118.18 2pan h GLU 536 Ca 0.20 -0.18 0.07 0.00 0.34 0.00 0.00 59.36 59.79 2pan h GLU 536 Cb 0.23 -0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 28.77 2pan h GLU 536 CO -0.01 0.70 0.33 1.96 -1.16 0.00 0.00 179.01 180.83 2pan h GLN 537 N 0.36 0.59 -0.50 2.33 4.20 -0.80 -2.52 115.11 118.76 2pan h GLN 537 Ca 0.09 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.78 2pan h GLN 537 Cb 0.45 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.07 2pan h GLN 537 CO 0.02 0.39 0.32 0.00 -0.67 0.00 0.00 178.83 178.88 2pan h ALA 538 N 1.37 0.64 -0.70 3.87 0.00 -0.58 -1.46 119.26 122.40 2pan h ALA 538 Ca 0.30 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 2pan h ALA 538 Cb 0.25 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2pan h ALA 538 CO -0.22 0.05 0.42 0.87 0.00 0.00 0.00 179.25 180.37 2pan h LYS 539 N 0.65 0.95 -0.20 0.00 1.57 -1.12 -2.94 116.57 115.48 2pan h LYS 539 Ca 0.19 -0.08 -0.06 0.00 -1.87 0.00 0.00 60.65 58.83 2pan h LYS 539 Cb -0.03 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.07 2pan h LYS 539 CO -0.06 0.67 -0.11 0.00 -0.57 0.00 0.00 179.45 179.38 2pan h ALA 540 N 1.50 0.28 0.00 3.86 0.00 -1.06 -2.94 119.26 120.90 2pan h ALA 540 Ca 0.25 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2pan h ALA 540 Cb -0.04 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2pan h ALA 540 CO -0.05 0.13 0.00 1.28 0.00 0.00 0.00 179.25 180.61 2pan n LEU 541 N -4.55 0.06 0.00 0.00 4.77 -0.58 -2.58 117.00 114.11 2pan n LEU 541 Ca -0.05 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 2pan n LEU 541 Cb 0.33 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 2pan n LEU 541 CO 0.39 0.01 0.00 0.00 -1.33 0.00 0.00 177.39 176.46 2pan n ALA 543 N 0.93 0.00 0.03 -1.18 0.00 -1.11 -1.18 120.51 118.01 2pan n ALA 543 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 2pan n ALA 543 Cb 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.32 2pan n ALA 543 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 2pan h GLN 544 N 0.00 0.31 0.00 0.00 3.07 -1.81 -3.39 115.11 113.29 2pan h GLN 544 Ca 0.00 -0.54 -0.15 0.00 0.09 0.00 0.00 58.65 58.05 2pan h GLN 544 Cb 0.00 0.20 -0.03 0.00 0.08 0.00 0.00 27.48 27.73 2pan h GLN 544 CO 0.00 1.26 -1.45 0.66 0.09 0.00 0.00 178.83 179.39 2pan n TYR 545 N -3.65 0.88 -3.36 0.06 4.02 -0.32 -5.00 117.16 109.79 2pan n TYR 545 Ca -0.27 0.29 -0.18 0.00 -0.01 0.00 0.00 57.90 57.72 2pan n TYR 545 Cb 1.02 -1.04 0.07 0.00 -0.02 0.00 0.00 39.34 39.37 2pan n TYR 545 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 2pan n ARG 546 N -2.83 -6.40 -4.21 -0.72 5.12 -1.25 -5.02 116.66 101.35 2pan n ARG 546 Ca -0.10 0.70 -0.12 0.00 -1.93 0.00 0.00 57.85 56.41 2pan n ARG 546 Cb 0.81 -5.35 -0.10 0.00 -1.16 0.00 0.00 32.46 26.66 2pan n ARG 546 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 2pan s VAL 547 N -3.28 0.57 0.35 1.55 -7.23 -1.26 -3.61 120.40 107.49 2pan s VAL 547 Ca 0.35 -1.95 -0.28 0.00 -1.81 0.00 0.00 61.98 58.28 2pan s VAL 547 Cb -0.15 -2.00 -0.12 0.00 0.56 0.00 0.00 36.38 34.67 2pan s VAL 547 CO 0.62 -0.57 1.37 -2.65 -0.31 0.00 0.00 175.10 173.55 2pan n PRO 548 N -0.17 2.31 -4.06 4.82 -0.02 -1.24 -4.16 135.00 132.48 2pan n PRO 548 Ca -0.08 0.81 -0.31 0.00 -2.02 0.00 0.00 63.50 61.90 2pan n PRO 548 Cb 0.63 -2.45 -0.16 0.00 -0.02 0.00 0.00 33.50 31.50 2pan n PRO 548 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2pan s VAL 549 N -1.02 1.79 -0.19 -1.45 1.01 -0.53 -2.72 120.40 117.29 2pan s VAL 549 Ca 0.55 -0.79 -0.15 0.00 0.00 0.00 0.00 61.98 61.59 2pan s VAL 549 Cb -0.54 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.14 2pan s VAL 549 CO 0.62 0.48 0.34 -0.69 0.00 0.00 0.00 175.10 175.85 2pan s VAL 550 N 1.39 5.25 -0.39 2.92 1.01 0.04 -1.15 120.40 129.47 2pan s VAL 550 Ca 0.05 0.62 -0.05 0.00 0.00 0.00 0.00 61.98 62.59 2pan s VAL 550 Cb -0.13 -3.68 0.09 0.00 0.00 0.00 0.00 36.38 32.65 2pan s VAL 550 CO -0.12 0.31 0.18 -0.69 0.00 0.00 0.00 175.10 174.79 2pan s VAL 551 N 0.96 3.58 -0.17 2.92 1.01 0.18 -0.60 120.40 128.29 2pan s VAL 551 Ca 0.17 -1.67 -0.19 0.00 0.00 0.00 0.00 61.98 60.30 2pan s VAL 551 Cb -0.14 -3.27 -0.03 0.00 0.00 0.00 0.00 36.38 32.94 2pan s VAL 551 CO 0.06 -0.50 0.52 -0.70 0.00 0.00 0.00 175.10 174.49 2pan s GLU 552 N 1.27 4.24 -0.20 2.72 2.12 0.81 -0.86 118.70 128.80 2pan s GLU 552 Ca 0.03 0.45 -0.04 0.00 0.36 0.00 0.00 54.97 55.77 2pan s GLU 552 Cb -0.22 -3.52 -0.02 0.00 0.26 0.00 0.00 34.13 30.63 2pan s GLU 552 CO -0.01 -0.06 -0.03 0.08 -0.54 0.00 0.00 175.26 174.70 2pan s VAL 553 N 1.33 3.66 -0.51 3.70 1.01 0.53 -0.51 120.40 129.62 2pan s VAL 553 Ca 0.25 -0.41 -0.29 0.00 0.00 0.00 0.00 61.98 61.53 2pan s VAL 553 Cb -0.15 -2.65 0.03 0.00 0.00 0.00 0.00 36.38 33.61 2pan s VAL 553 CO 0.10 0.44 1.15 -0.63 0.00 0.00 0.00 175.10 176.16 2pan s ILE 554 N 1.07 4.15 0.50 2.22 -1.09 -0.63 -1.23 121.20 126.20 2pan s ILE 554 Ca 0.01 1.11 -0.04 0.00 -2.23 0.00 0.00 60.65 59.50 2pan s ILE 554 Cb -0.15 -4.64 -0.02 0.00 -1.58 0.00 0.00 42.46 36.08 2pan s ILE 554 CO 0.01 -1.11 0.80 -0.76 -1.23 0.00 0.00 174.94 172.64 2pan s LEU 555 N 4.59 3.53 0.63 2.97 1.43 -0.08 -3.16 118.68 128.59 2pan s LEU 555 Ca 0.46 0.76 -0.18 0.00 -1.03 0.00 0.00 54.13 54.14 2pan s LEU 555 Cb -0.07 -3.66 -0.02 0.00 0.03 0.00 0.00 46.19 42.47 2pan s LEU 555 CO 0.30 -0.73 1.26 -1.83 0.23 0.00 0.00 176.35 175.57 2pan s GLU 556 N -4.78 2.68 0.15 1.70 -1.05 -0.01 -4.68 118.70 112.71 2pan s GLU 556 Ca 0.49 1.95 -0.13 0.00 -0.15 0.00 0.00 54.97 57.13 2pan s GLU 556 Cb -0.10 -1.88 0.02 0.00 -0.44 0.00 0.00 34.13 31.73 2pan s GLU 556 CO 0.44 -1.47 1.63 0.00 0.95 0.00 0.00 175.26 176.80 2pan h ARG 557 N 0.61 0.80 -4.59 -4.83 2.47 -1.92 -3.42 114.38 103.51 2pan h ARG 557 Ca -0.51 -0.22 -0.60 0.00 -1.26 0.00 0.00 59.98 57.39 2pan h ARG 557 Cb 1.32 -0.09 -0.36 0.00 -1.65 0.00 0.00 29.97 29.18 2pan h ARG 557 CO 0.54 0.81 -0.82 0.08 0.56 0.00 0.00 179.97 181.14 2pan s VAL 558 N -5.17 1.56 -0.04 2.04 1.01 -1.26 -4.88 120.40 113.65 2pan s VAL 558 Ca -0.13 -0.77 -0.01 0.00 0.00 0.00 0.00 61.98 61.08 2pan s VAL 558 Cb 0.11 -1.55 0.03 0.00 0.00 0.00 0.00 36.38 34.97 2pan s VAL 558 CO 0.80 0.32 0.01 -0.89 0.00 0.00 0.00 175.10 175.34 2pan s THR 559 N 1.47 0.19 -0.37 3.92 2.01 -1.26 -5.13 115.64 116.47 2pan s THR 559 Ca 0.02 0.15 -0.18 0.00 0.31 0.00 0.00 61.69 62.00 2pan s THR 559 Cb -0.14 -0.33 0.00 0.00 0.01 0.00 0.00 72.50 72.04 2pan s THR 559 CO -0.09 0.19 0.50 0.20 -0.69 0.00 0.00 174.62 174.73 2pan s ASN 560 N 1.50 6.29 0.30 3.53 0.02 -1.26 -5.02 114.94 120.30 2pan s ASN 560 Ca -0.03 -0.17 -0.20 0.00 -1.02 0.00 0.00 52.86 51.45 2pan s ASN 560 Cb -0.13 -2.26 -0.09 0.00 0.02 0.00 0.00 41.25 38.79 2pan s ASN 560 CO -0.03 -0.51 0.80 -0.63 0.02 0.00 0.00 177.10 176.75 2pan s ILE 561 N 2.37 4.51 0.39 0.60 -1.09 -1.26 -4.01 121.20 122.72 2pan s ILE 561 Ca 0.18 1.31 -0.27 0.00 -2.23 0.00 0.00 60.65 59.64 2pan s ILE 561 Cb -0.16 -3.78 -0.09 0.00 -1.58 0.00 0.00 42.46 36.86 2pan s ILE 561 CO 0.14 0.01 1.35 -0.44 -1.23 0.00 0.00 174.94 174.76 2pan s SER 562 N -1.90 6.34 -0.09 3.58 0.01 -1.26 -4.85 113.70 115.53 2pan s SER 562 Ca 0.50 2.75 -0.31 0.00 1.31 0.00 0.00 55.95 60.20 2pan s SER 562 Cb -0.14 -2.65 0.11 0.00 0.21 0.00 0.00 66.02 63.55 2pan s SER 562 CO 0.19 -0.84 1.39 -0.83 0.41 0.00 0.00 173.24 173.56 2pan s GLY 564 N -0.57 -0.27 0.00 3.44 0.00 -0.81 -4.77 107.32 104.33 2pan s GLY 564 Ca 0.55 0.32 0.23 0.00 0.00 0.00 0.00 44.72 45.82 2pan s GLY 564 CO 0.53 5.55 1.12 -1.14 0.00 0.00 0.00 173.10 179.15 2pan n SER 565 N -0.90 1.24 -4.00 1.64 3.41 -1.26 -4.71 113.62 109.05 2pan n SER 565 Ca 0.03 -1.03 -0.08 0.00 -0.26 0.00 0.00 58.87 57.53 2pan n SER 565 Cb 0.59 0.62 -0.10 0.00 -0.26 0.00 0.00 64.21 65.07 2pan n SER 565 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2pan s GLU 566 N -2.78 0.59 0.37 4.33 0.41 -1.26 -4.38 118.70 115.97 2pan s GLU 566 Ca 0.14 -0.96 0.05 0.00 -0.41 0.00 0.00 54.97 53.79 2pan s GLU 566 Cb 0.17 0.22 0.74 0.00 -1.78 0.00 0.00 34.13 33.48 2pan s GLU 566 CO 0.71 -0.13 1.99 -0.07 -0.49 0.00 0.00 175.26 177.27 2pan h LEU 567 N 3.47 0.64 -1.81 1.80 3.38 -1.86 -1.78 115.31 119.14 2pan h LEU 567 Ca -0.33 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.63 2pan h LEU 567 Cb 1.17 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.78 2pan h LEU 567 CO 0.57 0.43 0.00 -0.90 0.09 0.00 0.00 178.44 178.63 2pan n ASP 568 N -4.46 2.67 -0.05 -0.43 3.85 -1.26 -4.18 116.55 112.69 2pan n ASP 568 Ca 0.08 -2.20 0.00 0.00 -0.71 0.00 0.00 54.79 51.96 2pan n ASP 568 Cb 0.15 -0.40 0.00 0.00 -1.35 0.00 0.00 41.12 39.52 2pan n ASP 568 CO 0.00 0.00 0.00 -3.20 -1.01 0.00 0.00 177.20 172.99 2pan n ASN 569 N 0.51 0.34 -2.42 -1.12 5.15 -0.68 -5.16 115.26 111.89 2pan n ASN 569 Ca 0.14 -1.29 -0.00 0.00 -0.60 0.00 0.00 54.58 52.82 2pan n ASN 569 Cb 0.50 -0.03 0.00 0.00 -0.53 0.00 0.00 39.78 39.73 2pan n ASN 569 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 2pan n VAL 570 N -0.10 0.00 -3.15 3.44 0.31 -1.16 -4.45 118.33 113.22 2pan n VAL 570 Ca 0.00 -0.01 0.04 0.00 -0.01 0.00 0.00 64.34 64.37 2pan n VAL 570 Cb 0.49 -1.19 -0.01 0.00 -0.91 0.00 0.00 33.84 32.22 2pan n VAL 570 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2pan s GLU 572 N -3.04 0.55 -0.18 5.55 0.41 -1.26 -4.91 118.70 115.82 2pan s GLU 572 Ca 0.01 0.87 -0.16 0.00 -0.41 0.00 0.00 54.97 55.27 2pan s GLU 572 Cb -0.00 0.47 -0.22 0.00 -1.78 0.00 0.00 34.13 32.60 2pan s GLU 572 CO 0.01 -0.70 0.27 0.74 -0.49 0.00 0.00 175.26 175.09 2pan h PHE 573 N 7.99 0.18 -4.00 1.61 -1.00 -1.89 -3.48 116.94 116.35 2pan h PHE 573 Ca -0.17 -0.13 -0.47 0.00 2.81 0.00 0.00 57.97 60.00 2pan h PHE 573 Cb 1.17 -0.01 0.07 0.00 3.61 0.00 0.00 35.95 40.79 2pan h PHE 573 CO 0.13 1.60 0.28 -1.21 -1.61 0.00 0.00 178.31 177.50 2pan s GLU 574 N -2.43 2.62 0.22 1.51 0.41 -1.26 -5.00 118.70 114.77 2pan s GLU 574 Ca -0.27 0.07 -0.32 0.00 -0.41 0.00 0.00 54.97 54.04 2pan s GLU 574 Cb 0.06 -2.15 -0.12 0.00 -1.78 0.00 0.00 34.13 30.14 2pan s GLU 574 CO 0.66 -1.02 1.65 -0.25 -0.49 0.00 0.00 175.26 175.80 2pan n ASP 575 N -2.86 3.71 -4.21 -0.19 10.43 -1.26 -4.95 116.55 117.23 2pan n ASP 575 Ca 0.06 1.09 -0.30 0.00 2.57 0.00 0.00 54.79 58.21 2pan n ASP 575 Cb 0.59 -1.54 0.18 0.00 1.84 0.00 0.00 41.12 42.18 2pan n ASP 575 CO 0.00 0.00 0.00 0.27 -1.07 0.00 0.00 177.20 176.40 2pan s ILE 576 N 0.80 2.00 -0.08 0.53 -4.36 -1.26 -1.94 121.20 116.88 2pan s ILE 576 Ca 0.73 0.00 -0.17 0.00 -0.26 0.00 0.00 60.65 60.95 2pan s ILE 576 Cb -0.55 -2.99 0.04 0.00 1.25 0.00 0.00 42.46 40.21 2pan s ILE 576 CO 0.38 0.00 0.40 0.00 0.24 0.00 0.00 174.94 175.96 2pan s ALA 577 N -3.85 -1.01 -0.01 2.27 0.00 -0.13 -4.13 121.76 114.90 2pan s ALA 577 Ca 0.73 0.81 0.01 0.00 0.00 0.00 0.00 51.96 53.51 2pan s ALA 577 Cb -0.05 -0.26 0.02 0.00 0.00 0.00 0.00 23.12 22.83 2pan s ALA 577 CO 0.53 -0.25 0.88 -0.40 0.00 0.00 0.00 175.76 176.52 2pan n ASP 578 N 1.91 1.47 -3.99 0.00 3.85 -1.26 -1.26 116.55 117.27 2pan n ASP 578 Ca -0.18 -1.81 -0.10 0.00 -0.71 0.00 0.00 54.79 51.99 2pan n ASP 578 Cb 0.57 -0.03 -0.06 0.00 -1.35 0.00 0.00 41.12 40.24 2pan n ASP 578 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 2pan s ASN 579 N -0.86 -0.04 0.36 -1.12 4.22 -1.26 -4.66 114.94 111.58 2pan s ASN 579 Ca 0.02 -0.93 0.19 0.00 -2.14 0.00 0.00 52.86 50.00 2pan s ASN 579 Cb 0.02 0.52 0.59 0.00 1.28 0.00 0.00 41.25 43.65 2pan s ASN 579 CO 0.00 -1.02 1.69 0.00 -2.04 0.00 0.00 177.10 175.73 2pan h ALA 580 N 2.38 0.93 -1.00 3.54 0.00 -1.92 -3.07 119.26 120.13 2pan h ALA 580 Ca -0.29 -0.35 0.08 0.00 0.00 0.00 0.00 54.91 54.35 2pan h ALA 580 Cb 1.24 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.90 2pan h ALA 580 CO 0.41 0.48 0.64 0.00 0.00 0.00 0.00 179.25 180.79 2pan h ALA 581 N 1.61 1.45 0.00 0.00 0.00 -1.97 -0.09 119.26 120.25 2pan h ALA 581 Ca -0.00 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.72 2pan h ALA 581 Cb 0.97 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 2pan h ALA 581 CO 0.05 0.38 -1.13 -0.44 0.00 0.00 0.00 179.25 178.10 2pan h ASP 582 N 1.12 0.00 -2.08 0.00 3.32 -1.93 -3.41 116.42 113.44 2pan h ASP 582 Ca 0.45 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.94 2pan h ASP 582 Cb 0.26 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.40 2pan h ASP 582 CO -0.19 0.69 -0.95 0.00 -1.72 0.00 0.00 179.24 177.07 2pan n ALA 583 N -2.36 3.01 0.48 3.45 0.00 -0.96 -0.61 120.51 123.52 2pan n ALA 583 Ca -0.06 -3.89 0.08 0.00 0.00 0.00 0.00 53.44 49.57 2pan n ALA 583 Cb 0.86 -0.85 0.34 0.00 0.00 0.00 0.00 19.45 19.80 2pan n ALA 583 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2pan n PRO 584 N 0.75 0.03 -0.39 0.00 -0.04 -0.09 -3.37 135.00 131.89 2pan n PRO 584 Ca 0.25 0.28 0.08 0.00 -0.04 0.00 0.00 63.50 64.07 2pan n PRO 584 Cb 0.52 -1.56 0.26 0.00 -0.04 0.00 0.00 33.50 32.68 2pan n PRO 584 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2pan n THR 585 N -1.62 1.51 -1.92 0.52 -2.24 -1.26 -4.82 114.28 104.45 2pan n THR 585 Ca 0.03 -1.23 -0.40 0.00 -2.27 0.00 0.00 64.05 60.18 2pan n THR 585 Cb 0.18 0.24 -0.00 0.00 -2.10 0.00 0.00 70.33 68.65 2pan n THR 585 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2pan s GLU 586 N -1.62 4.03 0.56 -0.78 0.41 -1.22 -4.90 118.70 115.18 2pan s GLU 586 Ca 0.39 2.37 0.30 0.00 -0.41 0.00 0.00 54.97 57.62 2pan s GLU 586 Cb 0.25 -2.87 1.66 0.00 -1.78 0.00 0.00 34.13 31.39 2pan s GLU 586 CO 0.19 -0.52 2.16 1.79 -0.49 0.00 0.00 175.26 178.39 2pan h THR 587 N 2.71 0.49 0.00 3.63 1.35 -1.92 -0.36 112.91 118.81 2pan h THR 587 Ca -0.50 -0.30 -0.04 0.00 -0.55 0.00 0.00 66.41 65.01 2pan h THR 587 Cb 1.24 1.20 -0.01 0.00 -1.73 0.00 0.00 68.15 68.86 2pan h THR 587 CO 0.63 0.06 -0.19 0.00 -0.25 0.00 0.00 175.52 175.78 2pan n PHE 589 N -3.32 1.80 -4.37 0.00 0.99 -0.15 -5.18 117.46 107.23 2pan n PHE 589 Ca 0.00 -0.65 -0.23 0.00 -0.00 0.00 0.00 57.45 56.57 2pan n PHE 589 Cb 0.43 -0.41 -0.17 0.00 -1.00 0.00 0.00 39.48 38.33 2pan n PHE 589 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.76 175.18 2pan s HIS 591 N -2.41 1.22 -0.40 1.38 2.46 -1.26 -4.98 115.29 111.31 2pan s HIS 591 Ca 0.51 -0.45 -0.16 0.00 0.47 0.00 0.00 55.06 55.43 2pan s HIS 591 Cb 0.37 -0.95 0.01 0.00 -0.13 0.00 0.00 32.58 31.88 2pan s HIS 591 CO 0.18 -0.27 0.40 0.71 -2.47 0.00 0.00 174.74 173.28 2pan s TYR 592 N 0.87 3.19 0.00 3.88 1.51 -1.26 -5.13 117.35 120.40 2pan s TYR 592 Ca -0.11 -0.29 0.00 0.00 -1.01 0.00 0.00 57.07 55.66 2pan s TYR 592 Cb -0.15 -2.79 0.00 0.00 -0.11 0.00 0.00 41.96 38.91 2pan s TYR 592 CO 0.01 -0.61 0.00 -1.91 -1.11 0.00 0.00 175.55 171.94