#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1i n THR 3 N 0.00 1.74 0.00 0.00 -2.24 -1.26 -4.74 114.28 107.78 3h1i n THR 3 Ca 0.00 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 3h1i n THR 3 Cb 0.00 -0.54 0.00 0.00 -2.10 0.00 0.00 70.33 67.69 3h1i n THR 3 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3h1i n TYR 4 N -0.98 0.00 0.00 4.78 9.36 -1.26 -2.19 117.16 126.87 3h1i n TYR 4 Ca 0.11 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.33 3h1i n TYR 4 Cb 0.41 -0.06 0.00 0.00 -0.63 0.00 0.00 39.34 39.06 3h1i n TYR 4 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3h1i n ALA 5 N -1.16 0.00 -0.27 2.98 0.00 -1.26 0.61 120.51 121.41 3h1i n ALA 5 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 3h1i n ALA 5 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.50 3h1i n ALA 5 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3h1i h GLN 6 N 0.00 -0.07 -0.19 0.00 4.20 -1.79 0.57 115.11 117.84 3h1i h GLN 6 Ca 0.00 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.77 3h1i h GLN 6 Cb 0.00 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 3h1i h GLN 6 CO 0.00 -0.04 0.44 1.79 -0.67 0.00 0.00 178.83 180.34 3h1i h THR 7 N -0.07 0.14 -0.08 -0.54 1.35 0.22 -0.29 112.91 113.64 3h1i h THR 7 Ca 0.31 0.00 -0.06 0.00 -0.55 0.00 0.00 66.41 66.12 3h1i h THR 7 Cb 0.57 0.60 0.00 0.00 -1.73 0.00 0.00 68.15 67.60 3h1i h THR 7 CO -0.80 0.00 -0.17 -0.07 -0.25 0.00 0.00 175.52 174.24 3h1i h LEU 8 N 0.00 0.29 -0.43 3.87 3.38 0.21 -3.18 115.31 119.45 3h1i h LEU 8 Ca 0.09 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 57.50 3h1i h LEU 8 Cb 0.96 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.63 3h1i h LEU 8 CO -0.00 0.80 0.00 0.06 0.09 0.00 0.00 178.44 179.39 3h1i h GLN 9 N -0.21 0.00 -0.01 1.13 3.07 -1.05 -2.96 115.11 115.08 3h1i h GLN 9 Ca 0.00 0.00 -0.21 0.00 0.09 0.00 0.00 58.65 58.53 3h1i h GLN 9 Cb 0.75 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.31 3h1i h GLN 9 CO 0.04 0.00 -0.89 -0.91 0.09 0.00 0.00 178.83 177.16 3h1i h ASN 10 N 0.00 0.40 -0.85 0.06 4.21 -1.49 -3.44 115.58 114.46 3h1i h ASN 10 Ca 0.00 -0.31 -0.74 0.00 1.21 0.00 0.00 56.30 56.46 3h1i h ASN 10 Cb 0.60 -0.12 -0.01 0.00 -1.12 0.00 0.00 38.32 37.66 3h1i h ASN 10 CO 0.00 1.11 1.20 -0.38 -1.29 0.00 0.00 177.43 178.06 3h1i n ILE 11 N -3.72 0.14 -1.60 2.81 5.41 -1.12 -4.74 119.36 116.54 3h1i n ILE 11 Ca -0.05 -0.10 -0.56 0.00 1.00 0.00 0.00 62.75 63.03 3h1i n ILE 11 Cb 0.81 -1.08 -0.08 0.00 -0.71 0.00 0.00 39.64 38.58 3h1i n ILE 11 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 3h1i n PRO 12 N 6.92 1.01 -1.33 0.38 -0.04 -1.26 -4.88 135.00 135.79 3h1i n PRO 12 Ca 0.41 0.34 -0.39 0.00 -0.04 0.00 0.00 63.50 63.82 3h1i n PRO 12 Cb 0.09 -2.13 0.02 0.00 -0.04 0.00 0.00 33.50 31.44 3h1i n PRO 12 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3h1i n GLU 13 N 6.32 0.19 -3.28 0.54 2.13 -1.26 -4.79 120.64 120.49 3h1i n GLU 13 Ca 0.33 0.07 -0.43 0.00 0.66 0.00 0.00 57.16 57.80 3h1i n GLU 13 Cb 0.14 -1.24 -0.08 0.00 0.27 0.00 0.00 31.44 30.53 3h1i n GLU 13 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 3h1i s THR 14 N -1.84 5.04 0.51 6.31 2.01 -1.26 -4.77 115.64 121.63 3h1i s THR 14 Ca 0.61 -0.21 -0.21 0.00 0.31 0.00 0.00 61.69 62.19 3h1i s THR 14 Cb -0.51 -4.06 -0.07 0.00 0.01 0.00 0.00 72.50 67.88 3h1i s THR 14 CO 0.62 -0.43 1.13 0.20 -0.69 0.00 0.00 174.62 175.45 3h1i s ASN 15 N 1.84 5.95 -0.07 3.53 0.01 -1.09 -4.85 114.94 120.26 3h1i s ASN 15 Ca 0.14 2.20 -0.12 0.00 -0.71 0.00 0.00 52.86 54.37 3h1i s ASN 15 Cb -0.16 -2.59 0.03 0.00 0.41 0.00 0.00 41.25 38.93 3h1i s ASN 15 CO 0.14 -1.06 0.30 -0.69 -1.51 0.00 0.00 177.10 174.29 3h1i s VAL 16 N -1.70 0.03 0.30 1.60 1.01 -1.26 -2.68 120.40 117.70 3h1i s VAL 16 Ca 0.69 -0.21 -0.08 0.00 0.00 0.00 0.00 61.98 62.38 3h1i s VAL 16 Cb -0.25 -0.51 0.00 0.00 0.00 0.00 0.00 36.38 35.63 3h1i s VAL 16 CO 0.29 -0.12 0.49 0.42 0.00 0.00 0.00 175.10 176.18 3h1i s THR 17 N -0.46 0.00 -0.02 3.92 -4.23 -0.85 -5.03 115.64 108.96 3h1i s THR 17 Ca -0.06 -1.49 0.01 0.00 -1.18 0.00 0.00 61.69 58.97 3h1i s THR 17 Cb -0.04 -2.49 0.01 0.00 1.34 0.00 0.00 72.50 71.33 3h1i s THR 17 CO 0.02 0.00 -0.01 -0.89 -0.54 0.00 0.00 174.62 173.19 3h1i s THR 18 N -3.40 0.21 0.68 3.99 2.01 -1.26 -2.52 115.64 115.35 3h1i s THR 18 Ca 0.26 -0.01 -0.11 0.00 0.31 0.00 0.00 61.69 62.14 3h1i s THR 18 Cb -0.01 -0.25 0.00 0.00 0.01 0.00 0.00 72.50 72.26 3h1i s THR 18 CO 0.15 0.11 1.08 -0.76 -0.69 0.00 0.00 174.62 174.51 3h1i s LEU 19 N 0.54 2.98 0.51 4.42 1.43 -1.17 -4.96 118.68 122.43 3h1i s LEU 19 Ca -0.05 1.19 0.30 0.00 -1.03 0.00 0.00 54.13 54.54 3h1i s LEU 19 Cb -0.08 -4.05 1.16 0.00 0.03 0.00 0.00 46.19 43.24 3h1i s LEU 19 CO -0.01 -1.23 1.91 0.44 0.23 0.00 0.00 176.35 177.69 3h1i h ASP 20 N -0.57 0.00 1.13 2.29 3.45 -1.94 -3.05 116.42 117.74 3h1i h ASP 20 Ca -0.45 0.00 -0.07 0.00 0.43 0.00 0.00 57.03 56.94 3h1i h ASP 20 Cb 1.24 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 40.00 3h1i h ASP 20 CO 0.63 0.07 -0.35 -0.55 -1.57 0.00 0.00 179.24 177.47 3h1i h ASN 21 N 0.00 0.00 0.00 6.45 -1.07 -1.93 -3.46 115.58 115.57 3h1i h ASN 21 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 3h1i h ASN 21 Cb 0.62 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.87 3h1i h ASN 21 CO 0.01 0.35 0.00 0.61 0.07 0.00 0.00 177.43 178.47 3h1i n GLY 22 N 0.57 4.02 3.15 9.14 0.00 -1.15 -4.27 105.19 116.64 3h1i n GLY 22 Ca 0.01 -0.89 -0.36 0.00 0.00 0.00 0.00 46.02 44.78 3h1i n GLY 22 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3h1i n LEU 23 N 0.00 -4.20 -3.93 0.99 7.94 -0.86 -4.11 117.00 112.82 3h1i n LEU 23 Ca 0.00 0.33 -0.21 0.00 -1.11 0.00 0.00 56.01 55.02 3h1i n LEU 23 Cb 0.00 -0.88 -0.16 0.00 0.53 0.00 0.00 43.42 42.91 3h1i n LEU 23 CO 0.00 -5.22 -0.43 -0.13 -1.11 0.00 0.00 177.39 170.50 3h1i s ARG 24 N -2.08 1.11 -0.08 1.96 0.52 -1.17 -3.06 118.95 116.14 3h1i s ARG 24 Ca 0.48 -0.20 0.03 0.00 -0.52 0.00 0.00 55.73 55.51 3h1i s ARG 24 Cb -0.26 -1.02 -0.02 0.00 0.52 0.00 0.00 34.95 34.16 3h1i s ARG 24 CO 0.75 -0.05 -0.15 0.08 0.02 0.00 0.00 175.30 175.95 3h1i s VAL 25 N 0.86 2.91 0.14 3.52 1.01 -1.05 -1.16 120.40 126.63 3h1i s VAL 25 Ca -0.12 -0.75 -0.17 0.00 0.00 0.00 0.00 61.98 60.94 3h1i s VAL 25 Cb -0.15 -2.16 0.04 0.00 0.00 0.00 0.00 36.38 34.11 3h1i s VAL 25 CO 0.01 0.56 0.44 0.00 0.00 0.00 0.00 175.10 176.11 3h1i s ALA 26 N -0.25 -1.00 -0.03 5.51 0.00 -0.19 -2.01 121.76 123.78 3h1i s ALA 26 Ca 0.01 -0.01 -0.31 0.00 0.00 0.00 0.00 51.96 51.65 3h1i s ALA 26 Cb -0.13 0.74 0.12 0.00 0.00 0.00 0.00 23.12 23.84 3h1i s ALA 26 CO 0.03 -0.68 1.24 -1.54 0.00 0.00 0.00 175.76 174.81 3h1i s SER 27 N -2.81 -0.09 -0.15 0.00 1.04 -1.09 -2.08 113.70 108.53 3h1i s SER 27 Ca 0.04 -0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.33 3h1i s SER 27 Cb 0.01 0.19 0.02 0.00 0.10 0.00 0.00 66.02 66.35 3h1i s SER 27 CO -0.11 -0.35 -0.13 -0.70 0.98 0.00 0.00 173.24 172.93 3h1i s GLU 28 N -2.52 2.19 -0.02 4.02 2.12 -0.75 -2.66 118.70 121.08 3h1i s GLU 28 Ca 0.13 -0.54 -0.22 0.00 0.36 0.00 0.00 54.97 54.70 3h1i s GLU 28 Cb 0.03 -2.06 -0.05 0.00 0.26 0.00 0.00 34.13 32.31 3h1i s GLU 28 CO -0.03 -0.25 0.65 -2.00 -0.54 0.00 0.00 175.26 173.08 3h1i s GLU 29 N 1.51 4.39 0.23 4.30 2.12 -1.26 -2.55 118.70 127.44 3h1i s GLU 29 Ca 0.05 0.82 0.04 0.00 0.36 0.00 0.00 54.97 56.24 3h1i s GLU 29 Cb -0.13 -3.38 -0.02 0.00 0.26 0.00 0.00 34.13 30.87 3h1i s GLU 29 CO -0.10 0.26 0.16 -1.13 -0.54 0.00 0.00 175.26 173.91 3h1i n SER 30 N 3.07 0.03 -1.69 -1.70 3.41 0.06 -4.83 113.62 111.96 3h1i n SER 30 Ca -0.04 -2.44 0.05 0.00 -0.26 0.00 0.00 58.87 56.17 3h1i n SER 30 Cb 0.51 0.97 0.33 0.00 -0.26 0.00 0.00 64.21 65.76 3h1i n SER 30 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3h1i n SER 31 N -2.00 4.93 -4.63 4.04 3.41 -1.26 -3.91 113.62 114.19 3h1i n SER 31 Ca 0.02 -2.81 -0.43 0.00 -0.26 0.00 0.00 58.87 55.39 3h1i n SER 31 Cb 0.40 -0.66 -0.02 0.00 -0.26 0.00 0.00 64.21 63.67 3h1i n SER 31 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 3h1i s GLN 32 N -2.50 4.03 0.64 4.33 2.00 -1.26 -4.88 119.66 122.02 3h1i s GLN 32 Ca 0.46 1.02 0.37 0.00 -2.00 0.00 0.00 55.36 55.21 3h1i s GLN 32 Cb 0.35 -3.75 2.05 0.00 0.80 0.00 0.00 33.01 32.46 3h1i s GLN 32 CO 0.13 -0.94 2.24 -1.00 -0.50 0.00 0.00 175.29 175.21 3h1i h PRO 33 N 8.19 0.00 -5.86 1.67 0.13 -1.92 0.47 132.00 134.69 3h1i h PRO 33 Ca -0.21 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.35 3h1i h PRO 33 Cb 1.06 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.12 3h1i h PRO 33 CO 1.04 0.00 -0.42 -0.08 -0.23 0.00 0.00 178.00 178.31 3h1i s THR 34 N -4.34 1.99 0.00 1.56 -1.32 -1.26 -0.27 115.64 112.00 3h1i s THR 34 Ca -0.05 -1.62 0.00 0.00 -1.21 0.00 0.00 61.69 58.81 3h1i s THR 34 Cb 0.13 -2.61 0.00 0.00 -1.51 0.00 0.00 72.50 68.51 3h1i s THR 34 CO 0.45 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 172.86 3h1i s THR 36 N -2.70 0.00 -0.07 0.00 2.01 -0.72 -1.85 115.64 112.32 3h1i s THR 36 Ca 0.00 0.00 -0.10 0.00 0.31 0.00 0.00 61.69 61.90 3h1i s THR 36 Cb 0.00 -1.00 0.02 0.00 0.01 0.00 0.00 72.50 71.53 3h1i s THR 36 CO 0.00 0.00 0.25 0.68 -0.69 0.00 0.00 174.62 174.86 3h1i s VAL 37 N 0.34 0.03 0.09 3.82 -7.23 0.35 -0.93 120.40 116.87 3h1i s VAL 37 Ca 0.00 -0.21 -0.26 0.00 -1.81 0.00 0.00 61.98 59.70 3h1i s VAL 37 Cb -0.05 -0.44 0.08 0.00 0.56 0.00 0.00 36.38 36.53 3h1i s VAL 37 CO -0.00 -0.12 0.82 -0.83 -0.31 0.00 0.00 175.10 174.67 3h1i s GLY 38 N -0.41 -0.42 -0.15 2.32 0.00 -0.15 0.02 107.32 108.53 3h1i s GLY 38 Ca -0.05 0.58 -0.12 0.00 0.00 0.00 0.00 44.72 45.13 3h1i s GLY 38 CO 0.01 0.18 0.24 0.54 0.00 0.00 0.00 173.10 174.08 3h1i s VAL 39 N -3.37 5.34 -0.83 1.40 0.11 -0.48 -0.66 120.40 121.91 3h1i s VAL 39 Ca 0.06 0.43 0.01 0.00 -2.93 0.00 0.00 61.98 59.56 3h1i s VAL 39 Cb -0.02 -3.56 0.23 0.00 -1.53 0.00 0.00 36.38 31.50 3h1i s VAL 39 CO -0.06 0.45 0.80 0.79 -3.33 0.00 0.00 175.10 173.75 3h1i n TRP 40 N 3.16 3.70 -1.70 1.54 8.01 0.13 -1.78 117.44 130.50 3h1i n TRP 40 Ca -0.14 -4.01 -0.39 0.00 -1.31 0.00 0.00 57.50 51.65 3h1i n TRP 40 Cb 0.52 -0.92 0.04 0.00 -2.01 0.00 0.00 31.31 28.94 3h1i n TRP 40 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.69 175.79 3h1i n ILE 41 N 1.80 3.61 -1.69 -0.99 5.41 -1.07 -3.61 119.36 122.81 3h1i n ILE 41 Ca 0.24 -0.50 -0.36 0.00 1.00 0.00 0.00 62.75 63.13 3h1i n ILE 41 Cb 0.37 -1.52 0.03 0.00 -0.71 0.00 0.00 39.64 37.82 3h1i n ILE 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3h1i n GLY 42 N 0.90 5.36 3.42 7.39 0.00 -0.78 -2.43 105.19 119.03 3h1i n GLY 42 Ca 0.11 -2.30 -0.29 0.00 0.00 0.00 0.00 46.02 43.54 3h1i n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h1i s ALA 43 N -3.58 2.47 0.00 4.61 0.00 -1.26 -4.67 121.76 119.33 3h1i s ALA 43 Ca 0.55 -1.48 0.00 0.00 0.00 0.00 0.00 51.96 51.03 3h1i s ALA 43 Cb 0.44 -0.43 0.00 0.00 0.00 0.00 0.00 23.12 23.13 3h1i s ALA 43 CO -0.29 0.53 0.00 0.41 0.00 0.00 0.00 175.76 176.41 3h1i n GLY 44 N 0.76 2.68 0.12 0.00 0.00 -1.26 -0.18 105.19 107.31 3h1i n GLY 44 Ca -0.16 -0.54 -0.19 0.00 0.00 0.00 0.00 46.02 45.13 3h1i n GLY 44 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3h1i h SER 45 N 0.00 0.51 -0.96 1.61 4.64 0.42 -3.28 113.55 116.49 3h1i h SER 45 Ca 0.00 -0.62 0.14 0.00 -0.47 0.00 0.00 61.79 60.83 3h1i h SER 45 Cb 0.00 -0.16 -0.09 0.00 -0.31 0.00 0.00 62.40 61.84 3h1i h SER 45 CO 0.00 1.51 0.58 -0.09 -0.87 0.00 0.00 176.83 177.96 3h1i h ARG 46 N 0.09 0.84 0.00 4.77 2.43 -0.09 1.20 114.38 123.61 3h1i h ARG 46 Ca -0.23 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 3h1i h ARG 46 Cb 2.04 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 31.40 3h1i h ARG 46 CO 0.20 0.55 0.00 0.66 -1.51 0.00 0.00 179.97 179.87 3h1i n TYR 47 N -4.71 0.00 -2.43 2.20 4.02 -1.24 -4.71 117.16 110.31 3h1i n TYR 47 Ca 0.19 0.00 -0.28 0.00 -0.01 0.00 0.00 57.90 57.80 3h1i n TYR 47 Cb 0.41 -0.49 0.01 0.00 -0.02 0.00 0.00 39.34 39.24 3h1i n TYR 47 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 3h1i s GLU 48 N -2.99 3.42 0.00 -0.72 2.02 0.41 -5.01 118.70 115.84 3h1i s GLU 48 Ca 0.07 0.28 0.00 0.00 0.02 0.00 0.00 54.97 55.33 3h1i s GLU 48 Cb 0.09 -2.29 0.00 0.00 0.10 0.00 0.00 34.13 32.03 3h1i s GLU 48 CO 0.24 -0.39 0.00 0.27 0.02 0.00 0.00 175.26 175.41 3h1i n ASN 49 N -2.43 1.09 0.13 -0.19 2.04 -1.26 -4.96 115.26 109.68 3h1i n ASN 49 Ca 0.02 -0.01 -0.00 0.00 -0.44 0.00 0.00 54.58 54.15 3h1i n ASN 49 Cb 0.55 0.00 0.10 0.00 -2.53 0.00 0.00 39.78 37.91 3h1i n ASN 49 CO 0.00 0.00 0.00 -0.08 -0.44 0.00 0.00 177.26 176.74 3h1i h GLU 50 N 0.00 0.00 0.00 -3.83 4.22 -1.98 -3.06 114.58 109.93 3h1i h GLU 50 Ca 0.00 0.00 -0.07 0.00 0.08 0.00 0.00 59.36 59.37 3h1i h GLU 50 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3h1i h GLU 50 CO 0.00 0.64 -1.14 0.87 -2.18 0.00 0.00 179.01 177.20 3h1i h LYS 51 N 0.00 0.00 -0.93 1.92 1.57 -2.04 -3.37 116.57 113.72 3h1i h LYS 51 Ca -0.01 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.20 3h1i h LYS 51 Cb 1.29 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 33.19 3h1i h LYS 51 CO 0.08 0.13 -0.60 0.27 -0.57 0.00 0.00 179.45 178.76 3h1i n ASN 52 N -2.78 5.23 -4.63 0.86 6.94 -1.24 -4.95 115.26 114.68 3h1i n ASN 52 Ca -0.04 -3.75 -0.43 0.00 -0.02 0.00 0.00 54.58 50.34 3h1i n ASN 52 Cb 0.67 -0.44 -0.03 0.00 -2.36 0.00 0.00 39.78 37.62 3h1i n ASN 52 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 3h1i s ASN 53 N -3.36 6.84 0.00 0.53 3.04 -1.16 -4.04 114.94 116.79 3h1i s ASN 53 Ca 0.52 0.90 0.00 0.00 0.04 0.00 0.00 52.86 54.32 3h1i s ASN 53 Cb 0.42 -2.50 0.00 0.00 -1.54 0.00 0.00 41.25 37.63 3h1i s ASN 53 CO -0.01 -0.82 0.00 0.61 -3.04 0.00 0.00 177.10 173.84 3h1i n GLY 54 N 4.01 1.64 0.00 1.21 0.00 -1.26 -4.21 105.19 106.58 3h1i n GLY 54 Ca 0.09 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.70 3h1i n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h1i n ALA 55 N 0.00 0.00 -0.21 4.61 0.00 -1.26 0.22 120.51 123.87 3h1i n ALA 55 Ca 0.00 0.00 0.26 0.00 0.00 0.00 0.00 53.44 53.70 3h1i n ALA 55 Cb 0.00 0.00 0.40 0.00 0.00 0.00 0.00 19.45 19.85 3h1i n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h1i n GLY 56 N 0.00 -0.70 0.08 0.00 0.00 -1.26 0.55 105.19 103.86 3h1i n GLY 56 Ca 0.00 0.34 -0.09 0.00 0.00 0.00 0.00 46.02 46.27 3h1i n GLY 56 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3h1i n TYR 57 N -3.09 0.74 -0.10 1.61 9.36 0.59 -2.73 117.16 123.54 3h1i n TYR 57 Ca 0.22 0.32 0.27 0.00 3.32 0.00 0.00 57.90 62.03 3h1i n TYR 57 Cb 1.42 -0.78 0.68 0.00 -0.63 0.00 0.00 39.34 40.03 3h1i n TYR 57 CO 0.00 0.00 0.00 0.35 0.22 0.00 0.00 176.86 177.43 3h1i h PHE 58 N -1.00 0.00 0.15 2.98 -0.00 -0.62 1.44 116.94 119.88 3h1i h PHE 58 Ca -0.08 0.00 -0.31 0.00 -0.00 0.00 0.00 57.97 57.58 3h1i h PHE 58 Cb 0.75 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.70 3h1i h PHE 58 CO -0.21 0.00 -1.51 0.28 -0.00 0.00 0.00 178.31 176.87 3h1i h VAL 59 N 0.00 1.19 0.00 1.41 2.07 -0.05 -2.61 116.25 118.26 3h1i h VAL 59 Ca 0.38 -2.78 -0.02 0.00 0.82 0.00 0.00 66.70 65.10 3h1i h VAL 59 Cb 1.88 2.82 -0.00 0.00 -1.52 0.00 0.00 31.29 34.46 3h1i h VAL 59 CO -0.00 0.83 -0.07 -0.08 0.02 0.00 0.00 177.57 178.27 3h1i h GLU 60 N 0.08 0.00 0.03 1.57 4.81 0.20 -0.73 114.58 120.54 3h1i h GLU 60 Ca -0.24 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 58.91 3h1i h GLU 60 Cb 2.04 0.00 0.01 0.00 0.63 0.00 0.00 28.75 31.43 3h1i h GLU 60 CO 0.18 0.07 -0.31 0.45 -0.73 0.00 0.00 179.01 178.68 3h1i h HIS 61 N 0.00 0.25 -0.40 0.92 3.86 -0.66 -3.34 115.15 115.79 3h1i h HIS 61 Ca -0.00 -0.16 0.00 0.00 -1.16 0.00 0.00 60.37 59.05 3h1i h HIS 61 Cb 0.24 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.69 3h1i h HIS 61 CO 0.00 1.04 0.00 1.28 0.86 0.00 0.00 177.93 181.11 3h1i n LEU 62 N -4.44 2.16 -0.18 2.43 4.77 -0.99 -4.07 117.00 116.68 3h1i n LEU 62 Ca -0.11 -1.08 0.03 0.00 -0.03 0.00 0.00 56.01 54.82 3h1i n LEU 62 Cb 0.57 -0.27 0.13 0.00 -2.33 0.00 0.00 43.42 41.52 3h1i n LEU 62 CO 0.40 0.54 0.59 0.00 -1.33 0.00 0.00 177.39 177.59 3h1i n ALA 63 N 0.68 2.50 -0.82 -1.18 0.00 -0.31 -3.38 120.51 118.01 3h1i n ALA 63 Ca 0.13 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3h1i n ALA 63 Cb 0.34 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.75 3h1i n ALA 63 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3h1i n PHE 64 N -0.26 0.00 -0.53 0.00 0.99 -1.26 -4.77 117.46 111.63 3h1i n PHE 64 Ca 0.05 0.00 -0.15 0.00 -0.00 0.00 0.00 57.45 57.35 3h1i n PHE 64 Cb 0.09 0.00 0.13 0.00 -1.00 0.00 0.00 39.48 38.71 3h1i n PHE 64 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 3h1i n LYS 65 N -0.01 1.98 0.00 -1.08 4.01 -1.22 -4.76 118.16 117.08 3h1i n LYS 65 Ca 0.00 -2.09 0.00 0.00 -0.51 0.00 0.00 58.31 55.71 3h1i n LYS 65 Cb 0.20 -1.83 0.00 0.00 -0.51 0.00 0.00 35.03 32.89 3h1i n LYS 65 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3h1i n GLY 66 N -0.58 0.42 2.64 0.72 0.00 -1.26 -3.85 105.19 103.28 3h1i n GLY 66 Ca 0.40 -2.11 -0.19 0.00 0.00 0.00 0.00 46.02 44.13 3h1i n GLY 66 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3h1i n THR 67 N 0.03 0.00 0.14 2.61 -2.24 -1.07 -1.88 114.28 111.86 3h1i n THR 67 Ca 0.00 -1.92 0.01 0.00 -2.27 0.00 0.00 64.05 59.87 3h1i n THR 67 Cb 0.00 0.79 0.12 0.00 -2.10 0.00 0.00 70.33 69.14 3h1i n THR 67 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3h1i h LYS 68 N 0.00 0.00 0.12 -0.78 1.57 -1.84 -3.25 116.57 112.40 3h1i h LYS 68 Ca -0.23 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.54 3h1i h LYS 68 Cb 0.97 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.28 3h1i h LYS 68 CO 0.35 0.58 -0.06 0.87 -0.57 0.00 0.00 179.45 180.63 3h1i h LYS 69 N 0.00 -0.16 -3.59 3.15 1.57 -1.95 -3.43 116.57 112.17 3h1i h LYS 69 Ca -0.01 0.01 -0.57 0.00 -1.87 0.00 0.00 60.65 58.21 3h1i h LYS 69 Cb 1.25 0.04 -0.40 0.00 0.08 0.00 0.00 32.23 33.20 3h1i h LYS 69 CO 0.08 0.32 -0.76 -0.98 -0.57 0.00 0.00 179.45 177.54 3h1i s ARG 70 N -3.41 0.75 0.29 3.15 1.70 -1.25 -5.10 118.95 115.07 3h1i s ARG 70 Ca -0.13 -0.93 -0.04 0.00 -0.47 0.00 0.00 55.73 54.15 3h1i s ARG 70 Cb 0.00 -2.03 0.07 0.00 -0.57 0.00 0.00 34.95 32.42 3h1i s ARG 70 CO 0.52 -0.89 0.16 -0.35 -1.08 0.00 0.00 175.30 173.65 3h1i n PRO 71 N 4.89 -1.66 0.00 3.89 -0.04 -1.23 -2.59 135.00 138.26 3h1i n PRO 71 Ca -0.04 -0.26 0.00 0.00 -0.04 0.00 0.00 63.50 63.16 3h1i n PRO 71 Cb 0.43 -0.39 0.00 0.00 -0.04 0.00 0.00 33.50 33.50 3h1i n PRO 71 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3h1i n ALA 73 N -2.05 -0.41 -0.35 0.00 0.00 -1.26 -1.35 120.51 115.09 3h1i n ALA 73 Ca 0.00 0.55 0.05 0.00 0.00 0.00 0.00 53.44 54.04 3h1i n ALA 73 Cb 0.00 0.08 0.13 0.00 0.00 0.00 0.00 19.45 19.66 3h1i n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h1i n ALA 74 N -3.17 0.21 0.02 0.00 0.00 -1.19 0.17 120.51 116.55 3h1i n ALA 74 Ca 0.01 1.07 -0.01 0.00 0.00 0.00 0.00 53.44 54.52 3h1i n ALA 74 Cb 0.17 -0.63 -0.00 0.00 0.00 0.00 0.00 19.45 18.98 3h1i n ALA 74 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3h1i h PHE 75 N 0.00 -0.04 -0.47 0.00 3.57 0.11 0.18 116.94 120.29 3h1i h PHE 75 Ca 0.46 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 62.05 3h1i h PHE 75 Cb 0.71 0.01 -0.10 0.00 2.79 0.00 0.00 35.95 39.36 3h1i h PHE 75 CO -0.76 -0.02 -0.32 0.93 -2.23 0.00 0.00 178.31 175.91 3h1i h GLU 76 N -0.04 -0.20 -0.14 1.11 5.08 -0.83 0.86 114.58 120.41 3h1i h GLU 76 Ca -0.00 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.40 3h1i h GLU 76 Cb 0.03 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.27 3h1i h GLU 76 CO 0.00 -0.13 -0.44 -0.22 -1.00 0.00 0.00 179.01 177.22 3h1i h LYS 77 N -0.21 -0.43 -0.44 2.33 3.64 0.18 1.17 116.57 122.81 3h1i h LYS 77 Ca 0.20 0.03 0.13 0.00 -1.27 0.00 0.00 60.65 59.73 3h1i h LYS 77 Cb 0.53 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.43 3h1i h LYS 77 CO -0.58 -0.29 0.41 1.49 -2.27 0.00 0.00 179.45 178.21 3h1i h GLU 78 N -0.45 0.00 0.00 1.90 4.81 0.06 0.21 114.58 121.11 3h1i h GLU 78 Ca 0.03 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 3h1i h GLU 78 Cb 0.54 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.92 3h1i h GLU 78 CO -0.37 0.00 -0.03 0.28 -0.73 0.00 0.00 179.01 178.15 3h1i h VAL 79 N 0.00 0.75 0.32 0.32 2.07 0.22 -3.31 116.25 116.62 3h1i h VAL 79 Ca 0.21 -1.57 -0.00 0.00 0.82 0.00 0.00 66.70 66.16 3h1i h VAL 79 Cb 1.02 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 32.19 3h1i h VAL 79 CO -0.00 0.25 -0.27 -0.33 0.02 0.00 0.00 177.57 177.24 3h1i h GLU 80 N -1.00 -0.58 0.00 1.57 5.08 0.16 -2.71 114.58 117.09 3h1i h GLU 80 Ca -0.01 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3h1i h GLU 80 Cb 0.44 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.82 3h1i h GLU 80 CO -0.00 -0.39 0.52 0.66 -1.00 0.00 0.00 179.01 178.80 3h1i h SER 81 N -0.61 0.00 -0.02 1.42 4.64 -0.77 1.70 113.55 119.92 3h1i h SER 81 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3h1i h SER 81 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 3h1i h SER 81 CO -0.02 0.00 -0.31 1.15 -0.87 0.00 0.00 176.83 176.78 3h1i n MET 82 N -2.77 1.57 -1.79 4.77 0.00 -1.04 -4.98 117.12 112.89 3h1i n MET 82 Ca -0.01 -1.25 -0.07 0.00 0.00 0.00 0.00 57.70 56.36 3h1i n MET 82 Cb 0.56 -1.44 -0.01 0.00 0.00 0.00 0.00 33.22 32.32 3h1i n MET 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3h1i n GLY 83 N 1.35 0.39 3.87 3.17 0.00 0.58 -4.89 105.19 109.67 3h1i n GLY 83 Ca 0.10 -0.65 -0.35 0.00 0.00 0.00 0.00 46.02 45.13 3h1i n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h1i s ALA 84 N -2.32 3.80 -0.39 4.61 0.00 -1.18 -4.86 121.76 121.44 3h1i s ALA 84 Ca 0.00 -0.49 -0.16 0.00 0.00 0.00 0.00 51.96 51.31 3h1i s ALA 84 Cb 0.00 -2.15 0.01 0.00 0.00 0.00 0.00 23.12 20.98 3h1i s ALA 84 CO 0.00 0.61 0.35 -1.01 0.00 0.00 0.00 175.76 175.71 3h1i s HIS 85 N -1.29 3.21 -0.28 0.00 0.09 0.57 -4.60 115.29 112.99 3h1i s HIS 85 Ca 0.28 -0.33 -0.10 0.00 -0.00 0.00 0.00 55.06 54.91 3h1i s HIS 85 Cb -0.14 -2.70 -0.03 0.00 -0.00 0.00 0.00 32.58 29.71 3h1i s HIS 85 CO 0.16 -0.56 0.16 0.12 -0.00 0.00 0.00 174.74 174.62 3h1i s PHE 86 N 1.92 3.18 0.21 1.40 2.19 -1.26 -1.14 117.98 124.48 3h1i s PHE 86 Ca 0.09 -0.16 -0.17 0.00 0.33 0.00 0.00 56.93 57.02 3h1i s PHE 86 Cb -0.18 -2.35 0.02 0.00 -1.31 0.00 0.00 43.02 39.20 3h1i s PHE 86 CO 0.12 -0.28 0.52 1.21 1.83 0.00 0.00 175.22 178.62 3h1i s ASN 87 N 1.70 -0.21 0.00 6.13 2.47 -0.95 -5.05 114.94 119.03 3h1i s ASN 87 Ca 0.06 -0.60 0.00 0.00 0.42 0.00 0.00 52.86 52.75 3h1i s ASN 87 Cb -0.16 0.59 0.00 0.00 -1.45 0.00 0.00 41.25 40.23 3h1i s ASN 87 CO 0.08 -1.09 0.00 0.61 -3.72 0.00 0.00 177.10 172.98 3h1i n GLY 88 N -0.35 1.13 0.00 1.21 0.00 -1.26 -1.83 105.19 104.08 3h1i n GLY 88 Ca -0.08 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.32 3h1i n GLY 88 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3h1i n TYR 89 N 0.00 -0.77 -3.15 1.61 0.18 -0.18 -5.01 117.16 109.85 3h1i n TYR 89 Ca 0.00 0.00 0.03 0.00 1.88 0.00 0.00 57.90 59.81 3h1i n TYR 89 Cb 0.00 0.00 -0.00 0.00 -0.38 0.00 0.00 39.34 38.96 3h1i n TYR 89 CO 0.00 0.00 0.00 -0.08 -2.08 0.00 0.00 176.86 174.70 3h1i s THR 90 N -2.92 -0.88 0.00 -3.48 -1.32 -1.26 -2.10 115.64 103.68 3h1i s THR 90 Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 3h1i s THR 90 Cb 0.00 -0.42 0.00 0.00 -1.51 0.00 0.00 72.50 70.57 3h1i s THR 90 CO 0.00 0.00 0.00 -1.54 -2.21 0.00 0.00 174.62 170.87 3h1i n SER 91 N 4.81 0.00 -0.08 8.08 3.41 -0.21 -4.94 113.62 124.69 3h1i n SER 91 Ca 0.08 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.56 3h1i n SER 91 Cb 0.56 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.47 3h1i n SER 91 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3h1i h ARG 92 N 0.00 0.65 -1.99 4.33 3.08 -1.95 -3.24 114.38 115.26 3h1i h ARG 92 Ca 0.00 -0.35 -0.54 0.00 0.07 0.00 0.00 59.98 59.16 3h1i h ARG 92 Cb 0.00 0.02 -0.39 0.00 0.08 0.00 0.00 29.97 29.68 3h1i h ARG 92 CO 0.00 0.96 -1.13 -0.85 -1.07 0.00 0.00 179.97 177.88 3h1i n GLU 93 N -4.29 0.78 0.00 0.04 0.28 -1.26 0.84 120.64 117.02 3h1i n GLU 93 Ca -0.04 -3.26 0.00 0.00 -0.16 0.00 0.00 57.16 53.70 3h1i n GLU 93 Cb 0.47 -1.34 0.00 0.00 1.43 0.00 0.00 31.44 32.00 3h1i n GLU 93 CO 0.00 0.00 0.00 0.94 -0.16 0.00 0.00 177.13 177.91 3h1i n GLN 94 N 1.12 0.00 -4.24 3.44 7.27 -0.65 -4.73 117.38 119.60 3h1i n GLN 94 Ca 0.22 0.00 -0.26 0.00 0.07 0.00 0.00 57.00 57.03 3h1i n GLN 94 Cb 0.56 0.00 -0.07 0.00 2.41 0.00 0.00 30.24 33.14 3h1i n GLN 94 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 3h1i s THR 95 N 0.00 2.08 -0.29 1.69 2.01 0.75 -1.04 115.64 120.84 3h1i s THR 95 Ca 0.00 -1.75 -0.25 0.00 0.31 0.00 0.00 61.69 60.00 3h1i s THR 95 Cb 0.00 -2.83 0.17 0.00 0.01 0.00 0.00 72.50 69.85 3h1i s THR 95 CO 0.00 0.00 1.29 0.00 -0.69 0.00 0.00 174.62 175.22 3h1i s ALA 96 N -2.66 -2.13 -0.13 7.40 0.00 -0.89 -2.61 121.76 120.73 3h1i s ALA 96 Ca 0.36 1.75 -0.00 0.00 0.00 0.00 0.00 51.96 54.07 3h1i s ALA 96 Cb 0.04 -1.63 0.03 0.00 0.00 0.00 0.00 23.12 21.55 3h1i s ALA 96 CO 0.20 -0.15 -0.08 -0.06 0.00 0.00 0.00 175.76 175.66 3h1i s PHE 97 N 0.02 1.68 0.11 0.00 0.40 -0.73 -1.01 117.98 118.44 3h1i s PHE 97 Ca 0.06 -0.92 0.03 0.00 -0.60 0.00 0.00 56.93 55.50 3h1i s PHE 97 Cb -0.05 -1.33 -0.04 0.00 0.51 0.00 0.00 43.02 42.12 3h1i s PHE 97 CO -0.12 -0.57 -0.08 1.52 0.70 0.00 0.00 175.22 176.67 3h1i s TYR 98 N 1.65 0.99 0.04 0.36 -0.85 -0.76 -1.39 117.35 117.39 3h1i s TYR 98 Ca 0.04 -0.81 0.05 0.00 -0.52 0.00 0.00 57.07 55.83 3h1i s TYR 98 Cb -0.13 -0.55 -0.02 0.00 0.38 0.00 0.00 41.96 41.64 3h1i s TYR 98 CO -0.09 -0.07 -0.15 0.42 -1.52 0.00 0.00 175.55 174.14 3h1i s ILE 99 N -3.24 1.21 -0.26 -3.49 1.01 0.10 -2.24 121.20 114.29 3h1i s ILE 99 Ca 0.11 -1.03 -0.08 0.00 0.00 0.00 0.00 60.65 59.64 3h1i s ILE 99 Cb 0.02 -1.09 -0.03 0.00 0.01 0.00 0.00 42.46 41.38 3h1i s ILE 99 CO -0.02 0.04 0.10 -0.54 0.00 0.00 0.00 174.94 174.52 3h1i s LYS 100 N -1.14 3.68 0.23 2.79 1.02 -0.29 -0.49 119.74 125.54 3h1i s LYS 100 Ca 0.03 -0.47 -0.15 0.00 0.02 0.00 0.00 55.97 55.40 3h1i s LYS 100 Cb -0.08 -3.41 0.01 0.00 -0.52 0.00 0.00 37.83 33.83 3h1i s LYS 100 CO 0.01 -0.21 0.50 0.00 -0.92 0.00 0.00 175.35 174.74 3h1i s ALA 101 N 1.64 -0.55 0.30 5.17 0.00 -0.77 -0.32 121.76 127.24 3h1i s ALA 101 Ca 0.06 -0.61 -0.30 0.00 0.00 0.00 0.00 51.96 51.11 3h1i s ALA 101 Cb -0.15 0.96 -0.11 0.00 0.00 0.00 0.00 23.12 23.81 3h1i s ALA 101 CO 0.05 -0.84 1.57 -0.51 0.00 0.00 0.00 175.76 176.03 3h1i s LEU 102 N -2.96 4.34 0.63 0.00 1.43 -1.26 -0.30 118.68 120.56 3h1i s LEU 102 Ca 0.17 2.95 0.23 0.00 -1.03 0.00 0.00 54.13 56.44 3h1i s LEU 102 Cb -0.01 -3.64 1.08 0.00 0.03 0.00 0.00 46.19 43.65 3h1i s LEU 102 CO 0.04 -0.89 1.57 0.28 0.23 0.00 0.00 176.35 177.58 3h1i h SER 103 N 4.58 0.00 0.50 2.29 0.02 -0.87 -1.47 113.55 118.60 3h1i h SER 103 Ca -0.48 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.45 3h1i h SER 103 Cb 1.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.77 3h1i h SER 103 CO 0.77 0.00 -0.24 0.50 -1.14 0.00 0.00 176.83 176.72 3h1i h LYS 104 N 0.00 -0.65 0.00 3.45 3.64 -1.87 -2.87 116.57 118.27 3h1i h LYS 104 Ca 0.19 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 3h1i h LYS 104 Cb 1.65 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 33.62 3h1i h LYS 104 CO -0.00 -0.43 0.20 -0.25 -2.27 0.00 0.00 179.45 176.70 3h1i n ASP 105 N -3.87 0.34 0.00 4.20 8.00 -0.55 -4.07 116.55 120.60 3h1i n ASP 105 Ca -0.08 0.57 0.00 0.00 0.71 0.00 0.00 54.79 55.99 3h1i n ASP 105 Cb 0.27 -0.56 0.00 0.00 -0.02 0.00 0.00 41.12 40.81 3h1i n ASP 105 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 3h1i n MET 106 N -1.99 0.00 0.02 -1.24 0.00 -1.08 0.91 117.12 113.74 3h1i n MET 106 Ca -0.01 0.00 -0.12 0.00 -0.00 0.00 0.00 57.70 57.57 3h1i n MET 106 Cb 0.22 0.00 -0.09 0.00 0.00 0.00 0.00 33.22 33.35 3h1i n MET 106 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 175.97 174.97 3h1i h PRO 107 N 0.00 -0.11 -0.84 2.12 0.13 -1.86 -2.94 132.00 128.51 3h1i h PRO 107 Ca 0.00 0.01 0.17 0.00 -0.87 0.00 0.00 66.00 65.31 3h1i h PRO 107 Cb 0.00 0.02 -0.11 0.00 0.13 0.00 0.00 31.00 31.05 3h1i h PRO 107 CO 0.00 0.41 0.37 -0.22 -0.23 0.00 0.00 178.00 178.33 3h1i h LYS 108 N -0.70 0.46 0.16 0.86 1.63 0.23 -0.99 116.57 118.22 3h1i h LYS 108 Ca -0.01 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 3h1i h LYS 108 Cb 0.56 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 32.06 3h1i h LYS 108 CO 0.02 0.30 -0.33 0.28 -3.45 0.00 0.00 179.45 176.27 3h1i h VAL 109 N 0.47 0.00 -0.91 2.00 2.07 -0.78 -2.38 116.25 116.72 3h1i h VAL 109 Ca 0.48 0.00 0.26 0.00 0.82 0.00 0.00 66.70 68.27 3h1i h VAL 109 Cb 0.80 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.40 3h1i h VAL 109 CO -0.45 0.00 0.06 0.52 0.02 0.00 0.00 177.57 177.72 3h1i n VAL 110 N -4.33 -0.38 0.06 2.57 0.31 -0.42 0.02 118.33 116.15 3h1i n VAL 110 Ca -0.06 2.00 -0.15 0.00 -0.01 0.00 0.00 64.34 66.12 3h1i n VAL 110 Cb 0.27 -2.94 -0.09 0.00 -0.91 0.00 0.00 33.84 30.17 3h1i n VAL 110 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 3h1i h GLU 111 N 0.00 -0.62 -0.17 5.55 4.81 -0.89 -2.06 114.58 121.19 3h1i h GLU 111 Ca 0.57 0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.87 3h1i h GLU 111 Cb 1.22 0.14 -0.05 0.00 0.63 0.00 0.00 28.75 30.69 3h1i h GLU 111 CO -0.85 -0.41 -0.37 -0.07 -0.73 0.00 0.00 179.01 176.58 3h1i h LEU 112 N -0.64 -1.20 -0.98 1.64 3.38 -0.25 -0.13 115.31 117.13 3h1i h LEU 112 Ca 0.03 0.15 0.16 0.00 0.09 0.00 0.00 57.88 58.31 3h1i h LEU 112 Cb 0.71 0.48 -0.17 0.00 0.09 0.00 0.00 40.66 41.77 3h1i h LEU 112 CO -0.35 -0.30 -0.34 0.18 0.09 0.00 0.00 178.44 177.72 3h1i n LEU 113 N -4.49 -0.56 -0.16 1.67 4.77 -0.95 0.11 117.00 117.40 3h1i n LEU 113 Ca -0.03 1.71 0.03 0.00 -0.03 0.00 0.00 56.01 57.68 3h1i n LEU 113 Cb 0.24 -0.43 0.31 0.00 -2.33 0.00 0.00 43.42 41.22 3h1i n LEU 113 CO 0.03 -1.56 1.22 0.00 -1.33 0.00 0.00 177.39 175.75 3h1i h ALA 114 N 1.53 1.57 0.00 -1.18 0.00 -0.61 -2.14 119.26 118.44 3h1i h ALA 114 Ca 0.38 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3h1i h ALA 114 Cb 0.62 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3h1i h ALA 114 CO -0.99 0.38 0.00 -3.47 0.00 0.00 0.00 179.25 175.17 3h1i n ASP 115 N -4.45 0.00 -0.11 0.00 2.03 0.30 -2.66 116.55 111.66 3h1i n ASP 115 Ca 0.07 -0.11 -0.15 0.00 0.52 0.00 0.00 54.79 55.12 3h1i n ASP 115 Cb 0.08 -0.27 -0.10 0.00 -0.72 0.00 0.00 41.12 40.11 3h1i n ASP 115 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 3h1i n VAL 116 N -1.27 1.25 -0.06 5.18 0.31 -0.84 -3.41 118.33 119.49 3h1i n VAL 116 Ca 0.12 -0.47 -0.06 0.00 -0.01 0.00 0.00 64.34 63.93 3h1i n VAL 116 Cb 0.20 -1.29 0.14 0.00 -0.91 0.00 0.00 33.84 31.98 3h1i n VAL 116 CO 0.00 0.00 0.00 -0.37 -1.32 0.00 0.00 176.83 175.14 3h1i h VAL 117 N -0.03 1.26 0.00 2.52 -1.51 -1.55 -3.33 116.25 113.61 3h1i h VAL 117 Ca -0.49 -1.25 0.00 0.00 -1.23 0.00 0.00 66.70 63.73 3h1i h VAL 117 Cb 1.74 1.19 0.00 0.00 -2.13 0.00 0.00 31.29 32.09 3h1i h VAL 117 CO -0.09 0.41 0.00 0.00 -1.23 0.00 0.00 177.57 176.67 3h1i n GLN 118 N -4.14 0.00 -2.11 5.19 6.02 -1.09 -4.74 117.38 116.51 3h1i n GLN 118 Ca 0.00 0.13 -0.41 0.00 -0.01 0.00 0.00 57.00 56.72 3h1i n GLN 118 Cb 0.40 -0.53 -0.00 0.00 1.02 0.00 0.00 30.24 31.13 3h1i n GLN 118 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3h1i n ASN 119 N -1.84 7.09 -4.69 1.08 3.02 -1.22 -4.99 115.26 113.71 3h1i n ASN 119 Ca 0.00 -3.13 -0.42 0.00 -0.03 0.00 0.00 54.58 50.99 3h1i n ASN 119 Cb 0.00 -1.40 -0.03 0.00 -0.61 0.00 0.00 39.78 37.75 3h1i n ASN 119 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h1i h ALA 121 N 7.20 -0.44 -5.84 0.00 0.00 -1.58 -3.44 119.26 115.15 3h1i h ALA 121 Ca -0.34 0.07 -0.41 0.00 0.00 0.00 0.00 54.91 54.24 3h1i h ALA 121 Cb 1.16 0.96 0.12 0.00 0.00 0.00 0.00 17.79 20.03 3h1i h ALA 121 CO 0.85 -0.88 -0.68 1.28 0.00 0.00 0.00 179.25 179.82 3h1i n LEU 122 N -5.40 -3.32 -4.67 0.00 4.77 -1.26 -4.85 117.00 102.27 3h1i n LEU 122 Ca -0.00 -0.55 -0.44 0.00 -0.03 0.00 0.00 56.01 54.99 3h1i n LEU 122 Cb 0.35 -3.00 -0.04 0.00 -2.33 0.00 0.00 43.42 38.40 3h1i n LEU 122 CO 0.01 0.63 1.53 1.21 -1.33 0.00 0.00 177.39 179.44 3h1i n GLU 123 N -4.96 2.63 0.00 3.23 4.07 -1.26 -4.81 120.64 119.53 3h1i n GLU 123 Ca 0.01 0.96 0.04 0.00 -0.06 0.00 0.00 57.16 58.11 3h1i n GLU 123 Cb 0.56 -2.86 0.19 0.00 -0.06 0.00 0.00 31.44 29.27 3h1i n GLU 123 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 3h1i n GLU 124 N 6.69 0.10 0.08 5.31 2.13 -1.26 -0.54 120.64 133.16 3h1i n GLU 124 Ca 0.20 0.22 0.02 0.00 0.66 0.00 0.00 57.16 58.27 3h1i n GLU 124 Cb 0.36 -1.50 -0.04 0.00 0.27 0.00 0.00 31.44 30.54 3h1i n GLU 124 CO 0.00 0.00 0.00 0.77 -0.41 0.00 0.00 177.13 177.49 3h1i h SER 125 N 0.00 0.00 0.79 4.31 0.02 -2.01 -3.31 113.55 113.35 3h1i h SER 125 Ca 0.00 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.71 3h1i h SER 125 Cb 0.08 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.59 3h1i h SER 125 CO 0.00 0.47 -1.25 -0.61 -1.14 0.00 0.00 176.83 174.30 3h1i h GLN 126 N 0.00 0.05 0.47 3.45 5.75 -1.18 -3.38 115.11 120.27 3h1i h GLN 126 Ca -0.09 -0.08 -0.02 0.00 -0.15 0.00 0.00 58.65 58.30 3h1i h GLN 126 Cb 1.44 0.03 0.00 0.00 1.07 0.00 0.00 27.48 30.03 3h1i h GLN 126 CO 0.04 0.91 -0.23 0.82 -2.65 0.00 0.00 178.83 177.73 3h1i h ILE 127 N 0.01 0.45 0.00 2.39 2.04 -1.55 -1.37 117.51 119.48 3h1i h ILE 127 Ca -0.11 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.34 3h1i h ILE 127 Cb 1.87 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 38.56 3h1i h ILE 127 CO 0.13 0.06 0.00 -0.62 0.00 0.00 0.00 178.15 177.72 3h1i n GLU 128 N -5.26 0.04 -0.10 2.37 -0.58 -1.25 -0.37 120.64 115.50 3h1i n GLU 128 Ca -0.11 0.00 -0.21 0.00 -0.42 0.00 0.00 57.16 56.43 3h1i n GLU 128 Cb 0.30 -1.42 -0.08 0.00 -0.57 0.00 0.00 31.44 29.68 3h1i n GLU 128 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 3h1i n LYS 129 N -0.92 0.45 0.11 3.49 4.81 -1.11 -4.26 118.16 120.73 3h1i n LYS 129 Ca 0.01 0.18 0.09 0.00 -0.87 0.00 0.00 58.31 57.71 3h1i n LYS 129 Cb 0.00 -1.26 0.43 0.00 0.02 0.00 0.00 35.03 34.22 3h1i n LYS 129 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 3h1i n GLU 130 N -3.78 0.11 0.20 1.64 -0.58 0.04 -2.08 120.64 116.20 3h1i n GLU 130 Ca -0.40 0.55 -0.08 0.00 -0.42 0.00 0.00 57.16 56.81 3h1i n GLU 130 Cb 0.80 -1.82 -0.04 0.00 -0.57 0.00 0.00 31.44 29.81 3h1i n GLU 130 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 3h1i h ARG 131 N 0.00 -0.52 -0.07 3.49 2.43 -0.88 -2.23 114.38 116.60 3h1i h ARG 131 Ca 0.00 0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.22 3h1i h ARG 131 Cb 0.07 0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.74 3h1i h ARG 131 CO 0.00 -0.35 0.05 0.78 -1.51 0.00 0.00 179.97 178.94 3h1i h GLY 132 N -0.89 0.00 0.85 2.80 0.00 -1.63 -2.42 103.07 101.78 3h1i h GLY 132 Ca -0.06 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.20 3h1i h GLY 132 CO 0.09 0.00 -0.15 -2.08 0.00 0.00 0.00 176.54 174.40 3h1i h VAL 133 N 0.00 1.31 -0.22 4.60 2.07 -1.41 -1.44 116.25 121.16 3h1i h VAL 133 Ca 0.03 -1.26 -0.04 0.00 0.82 0.00 0.00 66.70 66.25 3h1i h VAL 133 Cb 0.14 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 3h1i h VAL 133 CO -0.00 0.39 -0.02 0.40 0.02 0.00 0.00 177.57 178.36 3h1i h ILE 134 N 0.22 1.27 -0.88 4.57 2.04 -1.18 0.16 117.51 123.71 3h1i h ILE 134 Ca 0.05 -0.95 0.25 0.00 1.00 0.00 0.00 64.86 65.21 3h1i h ILE 134 Cb 0.67 1.45 -0.04 0.00 -0.74 0.00 0.00 36.82 38.17 3h1i h ILE 134 CO 0.04 0.29 0.67 -0.07 0.00 0.00 0.00 178.15 179.09 3h1i h LEU 135 N 0.15 0.00 0.04 1.44 3.38 -1.37 0.25 115.31 119.20 3h1i h LEU 135 Ca 0.06 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 3h1i h LEU 135 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3h1i h LEU 135 CO 0.02 0.00 -0.37 -0.61 0.09 0.00 0.00 178.44 177.57 3h1i h GLN 136 N 0.00 0.09 0.00 1.13 5.75 -0.58 -3.02 115.11 118.47 3h1i h GLN 136 Ca 0.42 -0.15 0.00 0.00 -0.15 0.00 0.00 58.65 58.77 3h1i h GLN 136 Cb 1.76 0.06 0.00 0.00 1.07 0.00 0.00 27.48 30.36 3h1i h GLN 136 CO -0.00 1.07 0.03 0.39 -2.65 0.00 0.00 178.83 177.66 3h1i n GLU 137 N -4.44 0.04 -0.07 1.69 1.02 0.73 -1.29 120.64 118.31 3h1i n GLU 137 Ca -0.13 0.52 -0.22 0.00 -0.02 0.00 0.00 57.16 57.30 3h1i n GLU 137 Cb 0.60 -1.65 -0.12 0.00 -0.02 0.00 0.00 31.44 30.25 3h1i n GLU 137 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3h1i n LEU 138 N -1.70 2.16 0.05 -4.62 4.77 -0.30 -1.85 117.00 115.52 3h1i n LEU 138 Ca -0.00 0.32 0.21 0.00 -0.03 0.00 0.00 56.01 56.51 3h1i n LEU 138 Cb 0.04 -1.00 0.74 0.00 -2.33 0.00 0.00 43.42 40.86 3h1i n LEU 138 CO 0.03 0.51 1.19 0.11 -1.33 0.00 0.00 177.39 177.90 3h1i h LYS 139 N -0.63 0.00 0.00 3.23 1.79 -1.06 0.37 116.57 120.27 3h1i h LYS 139 Ca -0.42 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.05 3h1i h LYS 139 Cb 1.59 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.24 3h1i h LYS 139 CO -0.14 0.00 -0.03 0.93 -1.08 0.00 0.00 179.45 179.14 3h1i h GLU 140 N 0.00 0.00 -0.60 3.15 5.08 -1.45 -3.36 114.58 117.40 3h1i h GLU 140 Ca 0.22 0.00 0.17 0.00 -1.00 0.00 0.00 59.36 58.76 3h1i h GLU 140 Cb 1.13 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 3h1i h GLU 140 CO -0.00 0.00 0.99 0.52 -1.00 0.00 0.00 179.01 179.52 3h1i h MET 141 N -0.17 0.00 0.00 2.33 2.86 -0.86 0.54 114.93 119.63 3h1i h MET 141 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3h1i h MET 141 Cb 0.03 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.69 3h1i h MET 141 CO 0.00 0.00 0.00 -3.47 1.06 0.00 0.00 176.91 174.50 3h1i n ASP 142 N -3.08 0.00 -0.84 1.22 2.03 0.07 -2.35 116.55 113.61 3h1i n ASP 142 Ca 0.13 -0.23 0.08 0.00 0.52 0.00 0.00 54.79 55.29 3h1i n ASP 142 Cb 1.18 -0.22 0.19 0.00 -0.72 0.00 0.00 41.12 41.55 3h1i n ASP 142 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 3h1i n ASN 143 N -1.22 3.15 -4.30 1.67 3.02 0.19 -4.75 115.26 113.03 3h1i n ASN 143 Ca 0.13 -1.96 -0.44 0.00 -0.03 0.00 0.00 54.58 52.28 3h1i n ASN 143 Cb 0.17 -0.28 -0.02 0.00 -0.61 0.00 0.00 39.78 39.04 3h1i n ASN 143 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3h1i s ASP 144 N -1.03 6.85 0.14 6.41 -1.08 -0.99 -4.94 116.67 122.03 3h1i s ASP 144 Ca 0.30 -3.22 -0.24 0.00 -0.52 0.00 0.00 52.55 48.87 3h1i s ASP 144 Cb 0.16 -2.16 -0.03 0.00 -1.46 0.00 0.00 42.92 39.43 3h1i s ASP 144 CO 0.21 -0.39 1.25 0.23 0.52 0.00 0.00 175.17 176.99 3h1i n MET 145 N 3.19 -0.34 -0.35 4.34 2.81 -1.26 -0.58 117.12 124.93 3h1i n MET 145 Ca 0.19 1.23 0.00 0.00 -1.81 0.00 0.00 57.70 57.31 3h1i n MET 145 Cb 0.42 -1.81 0.06 0.00 -0.71 0.00 0.00 33.22 31.18 3h1i n MET 145 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 3h1i h THR 146 N 0.00 0.03 0.53 2.03 2.02 -1.97 0.57 112.91 116.12 3h1i h THR 146 Ca 0.14 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.30 3h1i h THR 146 Cb 0.35 0.03 0.01 0.00 -1.74 0.00 0.00 68.15 66.80 3h1i h THR 146 CO -0.77 0.00 -0.25 0.78 0.37 0.00 0.00 175.52 175.65 3h1i h ASN 147 N -0.02 -0.60 -1.37 4.18 2.35 -1.19 -2.43 115.58 116.50 3h1i h ASN 147 Ca 0.37 0.02 0.46 0.00 -0.55 0.00 0.00 56.30 56.60 3h1i h ASN 147 Cb 0.62 0.15 -0.12 0.00 0.05 0.00 0.00 38.32 39.03 3h1i h ASN 147 CO -0.96 -0.36 0.91 0.52 -1.65 0.00 0.00 177.43 175.89 3h1i n VAL 148 N -4.26 -0.19 0.13 2.81 0.31 -0.60 0.62 118.33 117.15 3h1i n VAL 148 Ca -0.09 1.61 -0.13 0.00 -0.01 0.00 0.00 64.34 65.72 3h1i n VAL 148 Cb 0.28 -2.64 -0.08 0.00 -0.91 0.00 0.00 33.84 30.49 3h1i n VAL 148 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 3h1i h THR 149 N 0.00 0.72 -0.90 2.52 2.02 0.45 -2.68 112.91 115.03 3h1i h THR 149 Ca 0.82 -0.72 0.02 0.00 0.77 0.00 0.00 66.41 67.30 3h1i h THR 149 Cb 2.78 1.08 -0.05 0.00 -1.74 0.00 0.00 68.15 70.21 3h1i h THR 149 CO -0.35 0.14 0.59 -0.26 0.37 0.00 0.00 175.52 176.01 3h1i h PHE 150 N -0.79 1.12 -0.20 3.16 -1.00 0.65 0.51 116.94 120.40 3h1i h PHE 150 Ca -0.04 0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.77 3h1i h PHE 150 Cb 0.51 -0.38 -0.01 0.00 3.61 0.00 0.00 35.95 39.68 3h1i h PHE 150 CO 0.04 0.69 0.12 -0.44 -1.61 0.00 0.00 178.31 177.10 3h1i h ASP 151 N 1.19 0.24 -0.23 2.17 3.32 -1.41 0.41 116.42 122.12 3h1i h ASP 151 Ca 0.34 -0.06 0.03 0.00 0.02 0.00 0.00 57.03 57.36 3h1i h ASP 151 Cb -0.09 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.37 3h1i h ASP 151 CO -0.09 0.23 0.06 1.88 -1.72 0.00 0.00 179.24 179.61 3h1i h TYR 152 N 0.24 0.11 -0.24 4.55 0.99 -1.09 1.37 116.97 122.91 3h1i h TYR 152 Ca 0.07 0.01 0.06 0.00 2.00 0.00 0.00 58.73 60.87 3h1i h TYR 152 Cb 0.03 -0.02 -0.07 0.00 1.00 0.00 0.00 36.73 37.68 3h1i h TYR 152 CO -0.05 0.05 -0.23 1.25 -0.00 0.00 0.00 178.16 179.19 3h1i h LEU 153 N 0.16 -0.72 -0.07 3.88 5.85 0.49 -0.90 115.31 124.00 3h1i h LEU 153 Ca 0.10 0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.97 3h1i h LEU 153 Cb 0.08 0.34 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 3h1i h LEU 153 CO -0.11 -0.26 -0.04 0.45 -0.34 0.00 0.00 178.44 178.13 3h1i h HIS 154 N -0.23 -0.10 0.00 1.25 3.86 0.58 0.47 115.15 120.97 3h1i h HIS 154 Ca 0.14 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.35 3h1i h HIS 154 Cb 0.44 0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.96 3h1i h HIS 154 CO -0.38 -0.07 0.22 0.00 0.86 0.00 0.00 177.93 178.56 3h1i n ALA 155 N -2.26 0.70 0.00 2.45 0.00 0.46 -0.92 120.51 120.94 3h1i n ALA 155 Ca -0.05 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3h1i n ALA 155 Cb 0.09 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 18.71 3h1i n ALA 155 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3h1i n THR 156 N -1.87 0.00 0.02 0.00 5.66 -0.62 -3.73 114.28 113.73 3h1i n THR 156 Ca -0.01 0.00 0.02 0.00 -3.05 0.00 0.00 64.05 61.02 3h1i n THR 156 Cb 0.23 -0.73 0.38 0.00 -1.55 0.00 0.00 70.33 68.66 3h1i n THR 156 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3h1i h ALA 157 N 0.00 1.57 -0.01 1.79 0.00 0.51 -2.95 119.26 120.17 3h1i h ALA 157 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3h1i h ALA 157 Cb 0.97 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3h1i h ALA 157 CO 0.00 0.33 0.00 1.19 0.00 0.00 0.00 179.25 180.77 3h1i n PHE 158 N -4.39 0.01 0.00 0.00 3.01 -0.10 -1.69 117.46 114.30 3h1i n PHE 158 Ca 0.02 -0.03 0.00 0.00 1.01 0.00 0.00 57.45 58.45 3h1i n PHE 158 Cb 0.15 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.61 3h1i n PHE 158 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3h1i n GLN 159 N 0.20 0.00 0.00 -1.08 10.64 -1.12 -2.40 117.38 123.62 3h1i n GLN 159 Ca 0.02 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.19 3h1i n GLN 159 Cb 0.11 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.49 3h1i n GLN 159 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3h1i n GLY 160 N 0.00 1.71 2.01 2.61 0.00 -1.26 -4.85 105.19 105.40 3h1i n GLY 160 Ca 0.00 -0.11 -0.12 0.00 0.00 0.00 0.00 46.02 45.78 3h1i n GLY 160 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3h1i n THR 161 N 0.00 0.00 -0.04 2.61 -2.24 -1.01 -5.04 114.28 108.56 3h1i n THR 161 Ca 0.00 -0.76 -0.14 0.00 -2.27 0.00 0.00 64.05 60.88 3h1i n THR 161 Cb 0.00 -1.23 -0.09 0.00 -2.10 0.00 0.00 70.33 66.91 3h1i n THR 161 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3h1i h ALA 162 N -0.76 0.11 -1.19 6.98 0.00 -1.89 -3.24 119.26 119.27 3h1i h ALA 162 Ca -0.18 -0.37 0.39 0.00 0.00 0.00 0.00 54.91 54.75 3h1i h ALA 162 Cb 0.63 -0.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.27 3h1i h ALA 162 CO 0.18 0.05 0.74 -0.07 0.00 0.00 0.00 179.25 180.15 3h1i h LEU 163 N -0.27 0.33 -0.67 0.00 3.38 -1.89 0.15 115.31 116.34 3h1i h LEU 163 Ca -0.00 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3h1i h LEU 163 Cb 0.79 0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.67 3h1i h LEU 163 CO 0.04 -0.16 0.00 0.00 0.09 0.00 0.00 178.44 178.40 3h1i n ALA 164 N -2.45 1.55 -2.80 1.53 0.00 -1.22 -4.77 120.51 112.35 3h1i n ALA 164 Ca 0.35 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.46 3h1i n ALA 164 Cb 1.26 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.65 3h1i n ALA 164 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3h1i s ARG 165 N -1.33 3.09 0.04 0.00 0.52 0.52 -4.21 118.95 117.58 3h1i s ARG 165 Ca 0.00 -0.51 -0.30 0.00 -0.52 0.00 0.00 55.73 54.40 3h1i s ARG 165 Cb 0.00 -2.87 -0.05 0.00 0.52 0.00 0.00 34.95 32.55 3h1i s ARG 165 CO 0.00 0.63 1.14 0.95 0.02 0.00 0.00 175.30 178.04 3h1i s THR 166 N -1.27 4.27 0.59 0.02 -4.23 -1.26 -4.89 115.64 108.86 3h1i s THR 166 Ca 0.26 1.63 0.29 0.00 -1.18 0.00 0.00 61.69 62.68 3h1i s THR 166 Cb -0.12 -4.04 0.37 0.00 1.34 0.00 0.00 72.50 70.04 3h1i s THR 166 CO 0.17 0.12 2.01 0.58 -0.54 0.00 0.00 174.62 176.97 3h1i h VAL 167 N 4.60 0.41 0.00 2.29 2.07 -1.92 0.26 116.25 123.96 3h1i h VAL 167 Ca -0.41 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.11 3h1i h VAL 167 Cb 1.21 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 3h1i h VAL 167 CO 0.80 0.00 -0.43 -0.33 0.02 0.00 0.00 177.57 177.63 3h1i h GLU 168 N 0.00 0.00 -1.36 1.57 3.07 -1.90 -3.41 114.58 112.55 3h1i h GLU 168 Ca 0.14 0.00 0.15 0.00 -0.50 0.00 0.00 59.36 59.14 3h1i h GLU 168 Cb 0.77 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.63 3h1i h GLU 168 CO -0.00 0.00 -0.37 0.41 -1.40 0.00 0.00 179.01 177.65 3h1i n GLY 169 N 1.24 -2.26 3.30 -3.84 0.00 0.91 -4.51 105.19 100.03 3h1i n GLY 169 Ca 0.03 -1.34 -0.33 0.00 0.00 0.00 0.00 46.02 44.38 3h1i n GLY 169 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3h1i n THR 170 N -3.22 0.00 0.11 2.61 -1.04 -1.26 -4.89 114.28 106.59 3h1i n THR 170 Ca -0.02 -0.25 -0.18 0.00 -2.04 0.00 0.00 64.05 61.57 3h1i n THR 170 Cb 0.27 -0.53 -0.13 0.00 -1.82 0.00 0.00 70.33 68.12 3h1i n THR 170 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 3h1i h THR 171 N -1.71 1.44 -0.10 12.58 2.02 -1.96 -3.18 112.91 122.01 3h1i h THR 171 Ca -0.48 -2.91 -0.03 0.00 0.77 0.00 0.00 66.41 63.76 3h1i h THR 171 Cb 1.33 2.90 -0.00 0.00 -1.74 0.00 0.00 68.15 70.63 3h1i h THR 171 CO 0.34 0.86 -0.04 -0.33 0.37 0.00 0.00 175.52 176.72 3h1i h GLU 172 N 0.11 0.21 -0.81 6.66 4.39 -1.97 -1.46 114.58 121.71 3h1i h GLU 172 Ca -0.15 -0.09 0.06 0.00 0.34 0.00 0.00 59.36 59.52 3h1i h GLU 172 Cb 1.96 -0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 30.55 3h1i h GLU 172 CO 0.21 0.54 0.49 -0.91 -1.16 0.00 0.00 179.01 178.19 3h1i h ASN 173 N -0.13 0.75 0.61 1.42 4.21 -1.87 0.80 115.58 121.37 3h1i h ASN 173 Ca 0.02 0.02 -0.08 0.00 1.21 0.00 0.00 56.30 57.48 3h1i h ASN 173 Cb 0.47 -0.13 -0.01 0.00 -1.12 0.00 0.00 38.32 37.53 3h1i h ASN 173 CO 0.01 0.48 -0.38 0.40 -1.29 0.00 0.00 177.43 176.65 3h1i h ILE 174 N 0.88 1.04 0.00 2.81 2.04 -1.54 1.41 117.51 124.16 3h1i h ILE 174 Ca 0.36 -1.42 -0.10 0.00 1.00 0.00 0.00 64.86 64.70 3h1i h ILE 174 Cb 0.20 1.82 -0.01 0.00 -0.74 0.00 0.00 36.82 38.08 3h1i h ILE 174 CO -0.18 0.37 -0.48 0.11 0.00 0.00 0.00 178.15 177.97 3h1i h LYS 175 N 0.00 0.00 0.00 2.37 1.57 0.62 -3.38 116.57 117.75 3h1i h LYS 175 Ca -0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3h1i h LYS 175 Cb 0.79 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.09 3h1i h LYS 175 CO 0.05 0.48 -1.09 0.72 -0.57 0.00 0.00 179.45 179.04 3h1i n HIS 176 N -3.29 0.00 -1.03 -1.35 8.25 0.24 -5.06 115.22 112.99 3h1i n HIS 176 Ca 0.01 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.09 3h1i n HIS 176 Cb 0.69 -0.05 -0.04 0.00 1.12 0.00 0.00 29.99 31.70 3h1i n HIS 176 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3h1i n LEU 177 N -1.72 -0.36 -4.79 2.41 4.77 0.48 -4.92 117.00 112.87 3h1i n LEU 177 Ca -0.01 0.81 -0.30 0.00 -0.03 0.00 0.00 56.01 56.48 3h1i n LEU 177 Cb 0.21 -0.66 -0.06 0.00 -2.33 0.00 0.00 43.42 40.58 3h1i n LEU 177 CO 0.04 -1.65 -0.25 -0.89 -1.33 0.00 0.00 177.39 173.31 3h1i s THR 178 N -0.28 4.59 0.30 -5.08 2.01 -1.26 -4.99 115.64 110.92 3h1i s THR 178 Ca 0.56 -0.80 0.03 0.00 0.31 0.00 0.00 61.69 61.80 3h1i s THR 178 Cb -0.80 -3.24 0.39 0.00 0.01 0.00 0.00 72.50 68.86 3h1i s THR 178 CO 0.40 0.08 1.47 -1.14 -0.69 0.00 0.00 174.62 174.74 3h1i n ARG 179 N 0.29 -0.07 0.02 4.92 0.63 -1.26 -0.79 116.66 120.39 3h1i n ARG 179 Ca -0.08 1.39 -0.01 0.00 -0.92 0.00 0.00 57.85 58.23 3h1i n ARG 179 Cb 0.52 -2.24 -0.00 0.00 0.45 0.00 0.00 32.46 31.19 3h1i n ARG 179 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3h1i h ALA 180 N 1.87 -0.79 -1.33 5.13 0.00 -1.98 -1.10 119.26 121.06 3h1i h ALA 180 Ca 0.59 -0.01 0.46 0.00 0.00 0.00 0.00 54.91 55.94 3h1i h ALA 180 Cb 1.25 0.25 -0.13 0.00 0.00 0.00 0.00 17.79 19.15 3h1i h ALA 180 CO -0.87 -0.80 0.86 -0.25 0.00 0.00 0.00 179.25 178.19 3h1i n ASP 181 N -2.38 0.19 0.08 0.00 9.92 0.03 0.24 116.55 124.64 3h1i n ASP 181 Ca -0.01 1.30 -0.22 0.00 -0.53 0.00 0.00 54.79 55.34 3h1i n ASP 181 Cb 0.02 -0.64 -0.15 0.00 -0.64 0.00 0.00 41.12 39.72 3h1i n ASP 181 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 3h1i h LEU 182 N 0.00 0.65 -0.28 0.64 3.38 -1.39 -1.33 115.31 116.98 3h1i h LEU 182 Ca 0.84 -0.91 0.06 0.00 0.09 0.00 0.00 57.88 57.95 3h1i h LEU 182 Cb 2.72 -0.21 -0.08 0.00 0.09 0.00 0.00 40.66 43.19 3h1i h LEU 182 CO -0.43 1.51 -0.42 0.00 0.09 0.00 0.00 178.44 179.18 3h1i h ALA 183 N 0.15 -0.51 -0.21 1.53 0.00 0.45 -1.25 119.26 119.41 3h1i h ALA 183 Ca -0.18 0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.81 3h1i h ALA 183 Cb 1.82 0.84 -0.05 0.00 0.00 0.00 0.00 17.79 20.40 3h1i h ALA 183 CO 0.20 -0.89 -0.08 0.66 0.00 0.00 0.00 179.25 179.14 3h1i h SER 184 N -0.40 -0.28 -0.80 0.00 4.64 -0.38 -1.85 113.55 114.48 3h1i h SER 184 Ca 0.11 0.08 0.19 0.00 -0.47 0.00 0.00 61.79 61.70 3h1i h SER 184 Cb 0.60 0.17 -0.13 0.00 -0.31 0.00 0.00 62.40 62.73 3h1i h SER 184 CO -0.49 -0.11 0.16 0.22 -0.87 0.00 0.00 176.83 175.74 3h1i h TYR 185 N -0.04 0.23 0.26 4.77 3.20 -0.40 0.82 116.97 125.80 3h1i h TYR 185 Ca 0.11 0.05 -0.01 0.00 3.14 0.00 0.00 58.73 62.02 3h1i h TYR 185 Cb 0.21 0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.51 3h1i h TYR 185 CO -0.25 -0.17 -0.13 0.82 -1.64 0.00 0.00 178.16 176.79 3h1i h ILE 186 N 0.21 0.75 0.70 1.81 2.04 -0.46 0.93 117.51 123.48 3h1i h ILE 186 Ca 0.47 -0.04 -0.03 0.00 1.00 0.00 0.00 64.86 66.26 3h1i h ILE 186 Cb 0.88 0.77 0.01 0.00 -0.74 0.00 0.00 36.82 37.74 3h1i h ILE 186 CO -0.61 0.01 -0.34 0.44 0.00 0.00 0.00 178.15 177.65 3h1i h ASP 187 N -0.37 -0.79 -0.72 1.72 3.32 -0.44 0.44 116.42 119.57 3h1i h ASP 187 Ca -0.04 0.00 0.14 0.00 0.02 0.00 0.00 57.03 57.16 3h1i h ASP 187 Cb 0.29 0.21 -0.10 0.00 0.22 0.00 0.00 39.33 39.94 3h1i h ASP 187 CO 0.06 -0.50 0.25 0.74 -1.72 0.00 0.00 179.24 178.06 3h1i h THR 188 N -1.05 0.63 0.00 0.35 2.02 0.57 -3.36 112.91 112.07 3h1i h THR 188 Ca -0.10 -0.13 -0.40 0.00 0.77 0.00 0.00 66.41 66.55 3h1i h THR 188 Cb 0.74 0.22 -0.06 0.00 -1.74 0.00 0.00 68.15 67.31 3h1i h THR 188 CO 0.16 0.07 -2.36 1.41 0.37 0.00 0.00 175.52 175.16 3h1i n HIS 189 N -5.05 0.00 -1.75 3.16 8.25 0.32 -4.81 115.22 115.34 3h1i n HIS 189 Ca 0.13 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.36 3h1i n HIS 189 Cb 0.41 -0.88 -0.09 0.00 1.12 0.00 0.00 29.99 30.55 3h1i n HIS 189 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3h1i n PHE 190 N -3.97 1.79 -4.69 4.41 0.99 0.15 -4.89 117.46 111.27 3h1i n PHE 190 Ca -0.47 -0.88 -0.24 0.00 -0.00 0.00 0.00 57.45 55.86 3h1i n PHE 190 Cb 0.86 -2.50 -0.16 0.00 -1.00 0.00 0.00 39.48 36.68 3h1i n PHE 190 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.76 176.91 3h1i s LYS 191 N 7.32 1.39 0.11 -1.08 1.02 -1.26 -4.77 119.74 122.47 3h1i s LYS 191 Ca 0.74 -0.51 -0.13 0.00 0.02 0.00 0.00 55.97 56.08 3h1i s LYS 191 Cb -0.01 -1.27 0.04 0.00 -0.52 0.00 0.00 37.83 36.07 3h1i s LYS 191 CO 0.17 0.24 0.84 0.00 -0.92 0.00 0.00 175.35 175.68 3h1i n ALA 192 N 3.02 -0.21 0.07 5.17 0.00 -1.26 -0.51 120.51 126.79 3h1i n ALA 192 Ca -0.17 0.50 0.18 0.00 0.00 0.00 0.00 53.44 53.96 3h1i n ALA 192 Cb 0.54 -0.16 0.71 0.00 0.00 0.00 0.00 19.45 20.55 3h1i n ALA 192 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3h1i h PRO 193 N 0.00 0.00 -0.00 0.00 0.13 -1.74 0.54 132.00 130.92 3h1i h PRO 193 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3h1i h PRO 193 Cb 0.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.40 3h1i h PRO 193 CO -0.53 0.00 -0.63 0.54 -0.23 0.00 0.00 178.00 177.16 3h1i n ARG 194 N -4.23 0.43 -3.68 0.86 1.74 0.33 -4.69 116.66 107.41 3h1i n ARG 194 Ca 0.07 -0.32 -0.27 0.00 -0.77 0.00 0.00 57.85 56.56 3h1i n ARG 194 Cb 0.51 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.42 3h1i n ARG 194 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 3h1i s MET 195 N -2.79 3.52 -0.08 5.56 -1.94 0.13 -1.87 119.30 121.82 3h1i s MET 195 Ca 0.14 -0.35 -0.03 0.00 -1.71 0.00 0.00 55.69 53.73 3h1i s MET 195 Cb 0.17 -2.82 0.05 0.00 2.01 0.00 0.00 34.83 34.23 3h1i s MET 195 CO 0.70 0.38 0.15 0.08 -0.01 0.00 0.00 175.02 176.32 3h1i s VAL 196 N -1.91 -0.24 -0.40 -6.03 1.01 -1.24 -3.06 120.40 108.54 3h1i s VAL 196 Ca 0.38 0.35 -0.21 0.00 0.00 0.00 0.00 61.98 62.51 3h1i s VAL 196 Cb -0.11 -0.28 0.01 0.00 0.00 0.00 0.00 36.38 36.01 3h1i s VAL 196 CO 0.29 0.15 0.64 -0.22 0.00 0.00 0.00 175.10 175.96 3h1i s LEU 197 N 2.21 4.37 0.12 3.92 2.96 -0.31 0.19 118.68 132.14 3h1i s LEU 197 Ca 0.02 -0.10 0.09 0.00 -0.22 0.00 0.00 54.13 53.92 3h1i s LEU 197 Cb -0.12 -2.76 -0.04 0.00 0.50 0.00 0.00 46.19 43.77 3h1i s LEU 197 CO -0.06 -0.69 -0.16 0.00 -1.32 0.00 0.00 176.35 174.12 3h1i s ALA 198 N 2.78 2.76 -0.12 5.97 0.00 0.17 -1.03 121.76 132.28 3h1i s ALA 198 Ca 0.24 -1.33 -0.18 0.00 0.00 0.00 0.00 51.96 50.69 3h1i s ALA 198 Cb -0.14 -0.71 0.04 0.00 0.00 0.00 0.00 23.12 22.31 3h1i s ALA 198 CO 0.17 0.60 0.46 0.00 0.00 0.00 0.00 175.76 176.99 3h1i s ALA 199 N -1.19 -1.15 -0.03 0.00 0.00 -0.88 -0.97 121.76 117.54 3h1i s ALA 199 Ca 0.19 1.09 -0.04 0.00 0.00 0.00 0.00 51.96 53.21 3h1i s ALA 199 Cb -0.11 -0.48 0.01 0.00 0.00 0.00 0.00 23.12 22.54 3h1i s ALA 199 CO 0.11 -0.25 0.10 0.00 0.00 0.00 0.00 175.76 175.72 3h1i s ALA 200 N -0.29 -0.24 0.00 0.00 0.00 -0.11 -1.82 121.76 119.31 3h1i s ALA 200 Ca -0.04 0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.11 3h1i s ALA 200 Cb -0.03 -0.12 0.00 0.00 0.00 0.00 0.00 23.12 22.97 3h1i s ALA 200 CO 0.03 -0.07 0.00 0.41 0.00 0.00 0.00 175.76 176.12 3h1i n GLY 201 N 2.76 0.53 3.55 0.00 0.00 -1.06 -1.75 105.19 109.22 3h1i n GLY 201 Ca -0.14 -1.83 -0.42 0.00 0.00 0.00 0.00 46.02 43.62 3h1i n GLY 201 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3h1i s GLY 202 N 0.00 1.55 -0.13 -0.02 0.00 0.17 -0.76 107.32 108.13 3h1i s GLY 202 Ca 0.00 -2.62 -0.09 0.00 0.00 0.00 0.00 44.72 42.01 3h1i s GLY 202 CO 0.00 2.58 0.32 -0.42 0.00 0.00 0.00 173.10 175.58 3h1i s ILE 203 N 4.22 -0.02 -0.26 0.90 1.01 -1.26 -4.67 121.20 121.13 3h1i s ILE 203 Ca 0.47 0.06 -0.29 0.00 0.00 0.00 0.00 60.65 60.89 3h1i s ILE 203 Cb 0.01 -0.47 0.01 0.00 0.01 0.00 0.00 42.46 42.02 3h1i s ILE 203 CO -0.03 0.02 1.06 -0.55 0.00 0.00 0.00 174.94 175.45 3h1i s SER 204 N 0.74 7.04 0.13 3.58 0.15 -1.26 -4.54 113.70 119.54 3h1i s SER 204 Ca -0.05 1.29 -0.31 0.00 0.70 0.00 0.00 55.95 57.58 3h1i s SER 204 Cb -0.06 -2.54 -0.10 0.00 -1.71 0.00 0.00 66.02 61.61 3h1i s SER 204 CO -0.05 -0.74 1.52 -0.74 1.20 0.00 0.00 173.24 174.42 3h1i h HIS 205 N 7.69 -1.63 -0.55 3.44 2.76 -1.99 -1.09 115.15 123.79 3h1i h HIS 205 Ca -0.20 0.08 0.08 0.00 -2.20 0.00 0.00 60.37 58.13 3h1i h HIS 205 Cb 1.06 0.77 -0.06 0.00 1.55 0.00 0.00 27.41 30.73 3h1i h HIS 205 CO 0.78 -0.45 0.21 -0.22 -1.30 0.00 0.00 177.93 176.95 3h1i h LYS 206 N -0.34 0.39 -0.53 5.26 3.64 -1.99 -1.06 116.57 121.94 3h1i h LYS 206 Ca 0.08 -0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.54 3h1i h LYS 206 Cb 0.55 -0.09 -0.09 0.00 -0.41 0.00 0.00 32.23 32.19 3h1i h LYS 206 CO -0.59 0.26 0.02 1.49 -2.27 0.00 0.00 179.45 178.35 3h1i h GLU 207 N 0.40 0.13 0.29 1.90 4.81 -1.68 -1.21 114.58 119.21 3h1i h GLU 207 Ca 0.27 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.49 3h1i h GLU 207 Cb 0.30 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 3h1i h GLU 207 CO -0.26 0.09 -0.34 1.25 -0.73 0.00 0.00 179.01 179.01 3h1i h LEU 208 N 0.13 -0.95 -1.56 1.64 5.85 -0.24 -1.78 115.31 118.40 3h1i h LEU 208 Ca 0.27 0.08 0.41 0.00 0.84 0.00 0.00 57.88 59.48 3h1i h LEU 208 Cb 0.41 0.32 -0.11 0.00 0.37 0.00 0.00 40.66 41.65 3h1i h LEU 208 CO -0.43 -0.43 0.90 1.62 -0.34 0.00 0.00 178.44 179.76 3h1i h VAL 209 N -0.64 0.21 0.46 1.05 3.04 -0.62 -0.15 116.25 119.60 3h1i h VAL 209 Ca -0.04 -0.04 -0.02 0.00 -1.01 0.00 0.00 66.70 65.59 3h1i h VAL 209 Cb 0.57 0.09 0.00 0.00 -2.01 0.00 0.00 31.29 29.94 3h1i h VAL 209 CO -0.07 0.02 -0.22 0.44 -1.01 0.00 0.00 177.57 176.73 3h1i h ASP 210 N 0.11 -0.52 -0.22 3.17 3.32 -0.37 0.94 116.42 122.86 3h1i h ASP 210 Ca 0.77 0.02 0.06 0.00 0.02 0.00 0.00 57.03 57.90 3h1i h ASP 210 Cb 2.52 0.13 -0.01 0.00 0.22 0.00 0.00 39.33 42.20 3h1i h ASP 210 CO -0.29 -0.31 0.43 0.00 -1.72 0.00 0.00 179.24 177.35 3h1i h ALA 211 N -1.59 1.77 0.45 3.45 0.00 -0.84 0.30 119.26 122.80 3h1i h ALA 211 Ca -0.06 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3h1i h ALA 211 Cb 0.47 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3h1i h ALA 211 CO 0.10 -0.54 -0.22 0.00 0.00 0.00 0.00 179.25 178.60 3h1i h ALA 212 N 1.35 -0.61 -0.84 0.00 0.00 -0.53 -2.39 119.26 116.25 3h1i h ALA 212 Ca 0.10 -0.18 0.19 0.00 0.00 0.00 0.00 54.91 55.03 3h1i h ALA 212 Cb 0.96 0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.93 3h1i h ALA 212 CO -0.00 -0.62 0.56 0.00 0.00 0.00 0.00 179.25 179.19 3h1i h ARG 213 N -1.05 0.33 -0.29 0.00 3.08 0.20 -0.82 114.38 115.83 3h1i h ARG 213 Ca -0.06 -0.02 -0.11 0.00 0.07 0.00 0.00 59.98 59.86 3h1i h ARG 213 Cb 0.56 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 3h1i h ARG 213 CO 0.10 0.22 -0.23 0.37 -1.07 0.00 0.00 179.97 179.36 3h1i h GLN 214 N 0.34 0.68 0.00 0.04 4.15 -0.81 -3.37 115.11 116.13 3h1i h GLN 214 Ca 0.42 -0.34 -0.09 0.00 0.77 0.00 0.00 58.65 59.42 3h1i h GLN 214 Cb 1.13 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.80 3h1i h GLN 214 CO -0.13 0.94 -1.74 0.72 -1.93 0.00 0.00 178.83 176.69 3h1i n HIS 215 N -4.31 0.00 -1.42 3.99 8.25 -0.91 -4.51 115.22 116.30 3h1i n HIS 215 Ca -0.04 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.17 3h1i n HIS 215 Cb 0.44 -0.44 -0.05 0.00 1.12 0.00 0.00 29.99 31.05 3h1i n HIS 215 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3h1i n PHE 216 N -2.17 1.56 -1.73 4.41 0.99 -0.34 -4.87 117.46 115.31 3h1i n PHE 216 Ca -0.10 -1.94 -0.42 0.00 -0.00 0.00 0.00 57.45 55.00 3h1i n PHE 216 Cb 0.58 -1.35 -0.01 0.00 -1.00 0.00 0.00 39.48 37.70 3h1i n PHE 216 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 3h1i n SER 217 N 0.85 3.70 -4.82 4.37 3.41 -1.26 -4.83 113.62 115.04 3h1i n SER 217 Ca 0.47 -2.81 -0.37 0.00 -0.26 0.00 0.00 58.87 55.89 3h1i n SER 217 Cb 0.56 -1.56 -0.06 0.00 -0.26 0.00 0.00 64.21 62.89 3h1i n SER 217 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3h1i s GLY 218 N 3.81 2.62 -0.17 5.00 0.00 -1.26 -5.07 107.32 112.25 3h1i s GLY 218 Ca 0.51 0.01 0.00 0.00 0.00 0.00 0.00 44.72 45.24 3h1i s GLY 218 CO -0.02 0.39 -0.16 0.14 0.00 0.00 0.00 173.10 173.45 3h1i s VAL 219 N -1.25 2.45 -0.39 1.40 1.01 -1.26 -4.44 120.40 117.91 3h1i s VAL 219 Ca 0.33 -0.82 -0.08 0.00 0.00 0.00 0.00 61.98 61.41 3h1i s VAL 219 Cb -0.18 -2.04 0.07 0.00 0.00 0.00 0.00 36.38 34.23 3h1i s VAL 219 CO 0.19 0.51 0.21 -0.94 0.00 0.00 0.00 175.10 175.08 3h1i s SER 220 N 1.13 5.51 0.00 3.32 1.04 -1.26 -5.01 113.70 118.42 3h1i s SER 220 Ca 0.01 -1.45 0.00 0.00 0.48 0.00 0.00 55.95 54.99 3h1i s SER 220 Cb -0.14 -1.94 0.00 0.00 0.10 0.00 0.00 66.02 64.04 3h1i s SER 220 CO -0.06 -0.48 0.00 0.49 0.98 0.00 0.00 173.24 174.17 3h1i n PHE 221 N 4.85 0.00 -0.10 5.02 3.01 -1.26 -4.97 117.46 124.01 3h1i n PHE 221 Ca -0.10 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.25 3h1i n PHE 221 Cb 0.43 0.00 0.11 0.00 -0.01 0.00 0.00 39.48 40.01 3h1i n PHE 221 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 3h1i n THR 222 N -0.17 0.00 0.03 4.37 -2.24 -1.26 -4.94 114.28 110.07 3h1i n THR 222 Ca 0.00 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.76 3h1i n THR 222 Cb 0.00 -0.36 -0.09 0.00 -2.10 0.00 0.00 70.33 67.78 3h1i n THR 222 CO 0.00 0.00 0.00 0.10 -0.57 0.00 0.00 175.07 174.60 3h1i h TYR 223 N -2.57 0.00 -0.27 4.78 -0.00 -2.00 -3.39 116.97 113.51 3h1i h TYR 223 Ca -0.15 0.00 0.04 0.00 -0.00 0.00 0.00 58.73 58.62 3h1i h TYR 223 Cb 0.49 0.00 -0.07 0.00 -0.00 0.00 0.00 36.73 37.15 3h1i h TYR 223 CO 0.00 0.71 -0.53 0.87 -0.00 0.00 0.00 178.16 179.21 3h1i h LYS 224 N 0.00 -0.44 0.00 0.10 1.79 -1.94 0.84 116.57 116.92 3h1i h LYS 224 Ca -0.17 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.33 3h1i h LYS 224 Cb 1.69 0.10 0.00 0.00 -1.58 0.00 0.00 32.23 32.44 3h1i h LYS 224 CO 0.06 -0.30 0.00 0.39 -1.08 0.00 0.00 179.45 178.53 3h1i n GLU 225 N -5.27 0.01 -0.00 3.15 1.02 -1.26 -1.36 120.64 116.92 3h1i n GLU 225 Ca -0.04 0.28 0.08 0.00 -0.02 0.00 0.00 57.16 57.45 3h1i n GLU 225 Cb 0.34 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 30.15 3h1i n GLU 225 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3h1i n ASP 226 N -1.28 1.11 -4.73 1.62 9.92 0.22 -4.77 116.55 118.64 3h1i n ASP 226 Ca 0.00 -0.31 -0.39 0.00 -0.53 0.00 0.00 54.79 53.57 3h1i n ASP 226 Cb 0.00 1.48 -0.05 0.00 -0.64 0.00 0.00 41.12 41.91 3h1i n ASP 226 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3h1i s ALA 227 N -2.89 3.40 -0.54 2.24 0.00 -0.46 -4.99 121.76 118.51 3h1i s ALA 227 Ca -0.02 0.03 -0.23 0.00 0.00 0.00 0.00 51.96 51.75 3h1i s ALA 227 Cb 0.11 -2.84 0.05 0.00 0.00 0.00 0.00 23.12 20.44 3h1i s ALA 227 CO 0.66 -0.03 0.85 0.54 0.00 0.00 0.00 175.76 177.79 3h1i s VAL 228 N 0.58 4.52 -0.11 0.00 0.11 -1.26 -5.00 120.40 119.24 3h1i s VAL 228 Ca 0.33 0.04 -0.36 0.00 -2.93 0.00 0.00 61.98 59.07 3h1i s VAL 228 Cb -0.17 -4.48 -0.13 0.00 -1.53 0.00 0.00 36.38 30.07 3h1i s VAL 228 CO 0.16 -1.04 1.79 -0.81 -3.33 0.00 0.00 175.10 171.87 3h1i n PRO 229 N 7.11 1.83 -2.55 1.54 -0.04 -1.26 -4.94 135.00 136.69 3h1i n PRO 229 Ca -0.01 0.67 -0.37 0.00 -0.04 0.00 0.00 63.50 63.75 3h1i n PRO 229 Cb 0.47 -2.45 -0.04 0.00 -0.04 0.00 0.00 33.50 31.43 3h1i n PRO 229 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3h1i s ILE 230 N 3.45 3.72 -0.06 0.52 1.01 -1.26 -5.02 121.20 123.55 3h1i s ILE 230 Ca 0.93 1.40 -0.19 0.00 0.00 0.00 0.00 60.65 62.79 3h1i s ILE 230 Cb -0.81 -3.76 -0.05 0.00 0.01 0.00 0.00 42.46 37.85 3h1i s ILE 230 CO 0.54 0.09 0.51 -0.76 0.00 0.00 0.00 174.94 175.32 3h1i s LEU 231 N -2.37 4.35 -0.29 2.97 1.43 -1.26 -5.02 118.68 118.49 3h1i s LEU 231 Ca 0.55 0.96 -0.28 0.00 -1.03 0.00 0.00 54.13 54.33 3h1i s LEU 231 Cb -0.24 -2.76 -0.05 0.00 0.03 0.00 0.00 46.19 43.17 3h1i s LEU 231 CO 0.30 0.07 2.20 -2.16 0.23 0.00 0.00 176.35 176.99 3h1i s PRO 232 N 0.14 2.95 0.16 1.29 0.04 -1.26 -4.88 135.00 133.45 3h1i s PRO 232 Ca 0.28 1.82 -0.32 0.00 0.04 0.00 0.00 61.00 62.81 3h1i s PRO 232 Cb -0.16 -4.39 -0.17 0.00 0.04 0.00 0.00 34.50 29.82 3h1i s PRO 232 CO 0.13 -2.31 0.95 -2.13 0.04 0.00 0.00 177.00 173.69 3h1i n ARG 233 N 8.78 0.67 -3.40 4.56 0.63 -1.26 -4.92 116.66 121.73 3h1i n ARG 233 Ca 0.30 0.24 -0.38 0.00 -0.92 0.00 0.00 57.85 57.09 3h1i n ARG 233 Cb 0.47 -1.59 -0.06 0.00 0.45 0.00 0.00 32.46 31.73 3h1i n ARG 233 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3h1i s ARG 235 N -0.15 4.42 0.28 0.00 3.52 -1.26 -5.00 118.95 120.77 3h1i s ARG 235 Ca 0.25 1.26 -0.23 0.00 -0.13 0.00 0.00 55.73 56.88 3h1i s ARG 235 Cb -0.16 -3.52 -0.09 0.00 -1.56 0.00 0.00 34.95 29.62 3h1i s ARG 235 CO 0.12 -0.23 0.84 0.12 -0.81 0.00 0.00 175.30 175.34 3h1i s PHE 236 N 1.72 3.64 -0.32 5.12 5.36 -1.26 -4.44 117.98 127.80 3h1i s PHE 236 Ca 0.46 1.58 -0.01 0.00 -0.96 0.00 0.00 56.93 57.99 3h1i s PHE 236 Cb -0.18 -2.77 0.13 0.00 -0.34 0.00 0.00 43.02 39.85 3h1i s PHE 236 CO 0.19 0.25 0.20 0.99 -1.46 0.00 0.00 175.22 175.39 3h1i s THR 237 N -1.61 -0.04 -0.14 0.12 2.01 -0.68 -5.02 115.64 110.28 3h1i s THR 237 Ca 0.48 -1.16 -0.35 0.00 0.31 0.00 0.00 61.69 60.97 3h1i s THR 237 Cb -0.17 -1.01 -0.12 0.00 0.01 0.00 0.00 72.50 71.21 3h1i s THR 237 CO 0.22 -0.80 1.90 0.61 -0.69 0.00 0.00 174.62 175.85 3h1i n GLY 238 N 4.65 1.30 0.18 4.40 0.00 -1.26 -4.54 105.19 109.92 3h1i n GLY 238 Ca 0.04 0.88 0.00 0.00 0.00 0.00 0.00 46.02 46.93 3h1i n GLY 238 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3h1i n SER 239 N 6.90 -0.06 -4.03 1.61 3.41 -0.27 -4.86 113.62 116.32 3h1i n SER 239 Ca 0.25 -1.02 -0.17 0.00 -0.26 0.00 0.00 58.87 57.67 3h1i n SER 239 Cb 0.27 0.09 -0.09 0.00 -0.26 0.00 0.00 64.21 64.22 3h1i n SER 239 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 3h1i s GLU 240 N -2.00 1.48 -0.19 4.33 -1.05 -1.26 -0.07 118.70 119.94 3h1i s GLU 240 Ca 0.01 -1.83 -0.06 0.00 -0.15 0.00 0.00 54.97 52.94 3h1i s GLU 240 Cb -0.00 0.01 0.09 0.00 -0.44 0.00 0.00 34.13 33.79 3h1i s GLU 240 CO 0.00 -0.43 0.39 -1.50 0.95 0.00 0.00 175.26 174.67 3h1i s ILE 241 N -3.76 -0.61 -0.30 1.83 2.07 -0.66 -4.93 121.20 114.84 3h1i s ILE 241 Ca 0.37 0.17 -0.02 0.00 -1.41 0.00 0.00 60.65 59.76 3h1i s ILE 241 Cb 0.06 -0.64 0.05 0.00 0.13 0.00 0.00 42.46 42.05 3h1i s ILE 241 CO 0.17 0.07 0.01 -0.13 -1.91 0.00 0.00 174.94 173.14 3h1i s ARG 242 N 2.58 2.50 -0.40 3.50 0.52 -1.26 -1.79 118.95 124.60 3h1i s ARG 242 Ca -0.00 -1.22 -0.13 0.00 -0.52 0.00 0.00 55.73 53.85 3h1i s ARG 242 Cb -0.12 -3.20 0.03 0.00 0.52 0.00 0.00 34.95 32.18 3h1i s ARG 242 CO -0.12 -0.60 0.27 0.00 0.02 0.00 0.00 175.30 174.87 3h1i s ALA 243 N 1.28 3.41 0.02 2.13 0.00 0.57 -5.01 121.76 124.16 3h1i s ALA 243 Ca -0.04 -1.75 0.02 0.00 0.00 0.00 0.00 51.96 50.18 3h1i s ALA 243 Cb -0.19 -2.79 -0.04 0.00 0.00 0.00 0.00 23.12 20.10 3h1i s ALA 243 CO -0.01 -1.46 0.02 0.50 0.00 0.00 0.00 175.76 174.82 3h1i s ARG 244 N 1.63 2.81 -0.40 0.00 3.52 -1.26 -1.97 118.95 123.28 3h1i s ARG 244 Ca 0.04 -0.62 0.04 0.00 -0.13 0.00 0.00 55.73 55.05 3h1i s ARG 244 Cb -0.19 -2.69 0.18 0.00 -1.56 0.00 0.00 34.95 30.69 3h1i s ARG 244 CO 0.09 0.61 0.73 0.34 -0.81 0.00 0.00 175.30 176.26 3h1i s ASP 245 N -1.75 -1.25 0.65 -2.12 -1.08 0.44 -4.83 116.67 106.73 3h1i s ASP 245 Ca 0.22 -0.69 0.38 0.00 -0.52 0.00 0.00 52.55 51.94 3h1i s ASP 245 Cb -0.12 1.60 2.12 0.00 -1.46 0.00 0.00 42.92 45.06 3h1i s ASP 245 CO 0.13 -0.13 2.23 0.44 0.52 0.00 0.00 175.17 178.36 3h1i h ASP 246 N 6.49 0.00 0.00 -0.34 3.32 -1.93 -2.02 116.42 121.95 3h1i h ASP 246 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3h1i h ASP 246 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 3h1i h ASP 246 CO 0.05 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.57 3h1i n ALA 247 N -2.09 2.32 -2.80 3.45 0.00 -1.26 -4.65 120.51 115.48 3h1i n ALA 247 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.08 3h1i n ALA 247 Cb 0.17 -1.00 -0.07 0.00 0.00 0.00 0.00 19.45 18.55 3h1i n ALA 247 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3h1i s LEU 248 N -0.83 3.98 0.16 0.00 1.43 -0.78 -5.04 118.68 117.61 3h1i s LEU 248 Ca 0.00 0.21 -0.24 0.00 -1.03 0.00 0.00 54.13 53.07 3h1i s LEU 248 Cb 0.00 -2.26 0.05 0.00 0.03 0.00 0.00 46.19 44.01 3h1i s LEU 248 CO 0.00 0.29 1.59 1.55 0.23 0.00 0.00 176.35 180.02 3h1i h PRO 249 N 4.24 -0.25 -4.69 1.29 0.13 -1.90 -3.41 132.00 127.40 3h1i h PRO 249 Ca -0.50 0.02 -0.23 0.00 -0.87 0.00 0.00 66.00 64.41 3h1i h PRO 249 Cb 1.19 0.06 -0.15 0.00 0.13 0.00 0.00 31.00 32.23 3h1i h PRO 249 CO 0.62 -0.17 -0.70 0.14 -0.23 0.00 0.00 178.00 177.67 3h1i s VAL 250 N -5.97 0.73 0.05 1.56 -7.23 -1.26 -4.61 120.40 103.66 3h1i s VAL 250 Ca -0.15 -1.95 -0.00 0.00 -1.81 0.00 0.00 61.98 58.07 3h1i s VAL 250 Cb 0.13 -1.72 -0.04 0.00 0.56 0.00 0.00 36.38 35.31 3h1i s VAL 250 CO 0.67 -0.84 0.18 0.00 -0.31 0.00 0.00 175.10 174.80 3h1i s ALA 251 N -3.61 3.91 -0.05 1.32 0.00 -0.85 -4.48 121.76 118.00 3h1i s ALA 251 Ca 0.13 -0.85 0.05 0.00 0.00 0.00 0.00 51.96 51.29 3h1i s ALA 251 Cb 0.05 -1.76 -0.02 0.00 0.00 0.00 0.00 23.12 21.39 3h1i s ALA 251 CO -0.04 0.79 -0.19 -1.01 0.00 0.00 0.00 175.76 175.31 3h1i s HIS 252 N -1.44 2.57 -0.03 0.00 3.76 0.12 -2.04 115.29 118.24 3h1i s HIS 252 Ca 0.32 -0.36 0.01 0.00 -0.15 0.00 0.00 55.06 54.88 3h1i s HIS 252 Cb -0.13 -1.61 0.01 0.00 1.11 0.00 0.00 32.58 31.97 3h1i s HIS 252 CO 0.24 0.03 -0.05 0.08 -0.85 0.00 0.00 174.74 174.20 3h1i s VAL 253 N -0.52 0.48 -0.04 -0.90 1.01 -0.59 -1.67 120.40 118.17 3h1i s VAL 253 Ca 0.07 -0.15 0.02 0.00 0.00 0.00 0.00 61.98 61.92 3h1i s VAL 253 Cb -0.11 -0.48 0.01 0.00 0.00 0.00 0.00 36.38 35.80 3h1i s VAL 253 CO 0.01 0.19 -0.08 0.00 0.00 0.00 0.00 175.10 175.21 3h1i s ALA 254 N 0.55 0.90 0.02 5.51 0.00 0.20 -1.57 121.76 127.35 3h1i s ALA 254 Ca -0.07 -0.24 0.04 0.00 0.00 0.00 0.00 51.96 51.69 3h1i s ALA 254 Cb -0.10 -0.43 -0.02 0.00 0.00 0.00 0.00 23.12 22.57 3h1i s ALA 254 CO -0.00 0.08 -0.13 -1.17 0.00 0.00 0.00 175.76 174.54 3h1i s LEU 255 N 0.61 2.10 0.12 0.00 2.96 -0.25 0.09 118.68 124.31 3h1i s LEU 255 Ca -0.10 -0.34 -0.23 0.00 -0.22 0.00 0.00 54.13 53.24 3h1i s LEU 255 Cb -0.13 -0.58 0.07 0.00 0.50 0.00 0.00 46.19 46.04 3h1i s LEU 255 CO 0.01 0.08 0.58 0.00 -1.32 0.00 0.00 176.35 175.70 3h1i s ALA 256 N -0.59 -1.53 0.26 5.97 0.00 -0.21 -0.54 121.76 125.13 3h1i s ALA 256 Ca 0.02 0.55 0.10 0.00 0.00 0.00 0.00 51.96 52.64 3h1i s ALA 256 Cb -0.06 0.72 -0.05 0.00 0.00 0.00 0.00 23.12 23.73 3h1i s ALA 256 CO 0.00 -0.69 -0.09 0.14 0.00 0.00 0.00 175.76 175.12 3h1i s VAL 257 N -3.33 3.03 0.29 0.00 -7.23 0.23 -0.17 120.40 113.21 3h1i s VAL 257 Ca -0.01 -2.08 -0.30 0.00 -1.81 0.00 0.00 61.98 57.78 3h1i s VAL 257 Cb -0.01 -2.59 -0.11 0.00 0.56 0.00 0.00 36.38 34.23 3h1i s VAL 257 CO -0.09 -0.35 1.52 -0.70 -0.31 0.00 0.00 175.10 175.17 3h1i s GLU 258 N -3.50 4.18 0.31 4.82 2.12 -1.26 -1.48 118.70 123.88 3h1i s GLU 258 Ca 0.30 2.47 -0.02 0.00 0.36 0.00 0.00 54.97 58.08 3h1i s GLU 258 Cb -0.06 -3.05 -0.04 0.00 0.26 0.00 0.00 34.13 31.24 3h1i s GLU 258 CO 0.17 -0.54 0.54 0.20 -0.54 0.00 0.00 175.26 175.09 3h1i s GLY 259 N 0.34 1.61 0.05 -1.50 0.00 0.82 -4.66 107.32 103.99 3h1i s GLY 259 Ca 0.60 -0.75 -0.20 0.00 0.00 0.00 0.00 44.72 44.37 3h1i s GLY 259 CO 0.48 -0.67 1.39 -0.56 0.00 0.00 0.00 173.10 173.75 3h1i h PRO 260 N 1.27 0.37 0.00 2.90 0.13 -1.87 -1.87 132.00 132.92 3h1i h PRO 260 Ca -0.49 -0.17 0.00 0.00 -0.87 0.00 0.00 66.00 64.47 3h1i h PRO 260 Cb 1.20 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3h1i h PRO 260 CO 0.64 0.70 0.00 0.41 -0.23 0.00 0.00 178.00 179.52 3h1i n GLY 261 N 0.05 3.32 0.04 1.56 0.00 -0.66 -4.12 105.19 105.38 3h1i n GLY 261 Ca -0.05 -1.48 -0.01 0.00 0.00 0.00 0.00 46.02 44.48 3h1i n GLY 261 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3h1i n TRP 262 N 0.47 -0.04 0.00 1.61 7.02 -0.19 -1.83 117.44 124.49 3h1i n TRP 262 Ca 0.00 0.12 0.00 0.00 -1.02 0.00 0.00 57.50 56.60 3h1i n TRP 262 Cb 0.00 -0.45 0.00 0.00 -2.42 0.00 0.00 31.31 28.44 3h1i n TRP 262 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3h1i n ALA 263 N -3.69 0.00 -1.32 6.99 0.00 -1.26 -4.64 120.51 116.59 3h1i n ALA 263 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 53.44 52.93 3h1i n ALA 263 Cb 0.02 0.25 -0.07 0.00 0.00 0.00 0.00 19.45 19.65 3h1i n ALA 263 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3h1i n ASP 264 N -2.20 0.43 0.00 0.00 -0.08 -0.76 -4.81 116.55 109.13 3h1i n ASP 264 Ca 0.00 0.96 0.10 0.00 -1.51 0.00 0.00 54.79 54.34 3h1i n ASP 264 Cb 0.00 -0.74 0.50 0.00 2.34 0.00 0.00 41.12 43.22 3h1i n ASP 264 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 3h1i n PRO 265 N 2.13 0.31 -0.01 -0.67 -0.02 -1.26 -2.46 135.00 133.02 3h1i n PRO 265 Ca 0.20 0.09 -0.15 0.00 -2.02 0.00 0.00 63.50 61.63 3h1i n PRO 265 Cb 0.02 -1.50 -0.04 0.00 -0.02 0.00 0.00 33.50 31.96 3h1i n PRO 265 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3h1i h ASP 266 N 0.00 0.82 -1.07 2.55 3.32 -1.93 -3.18 116.42 116.93 3h1i h ASP 266 Ca 0.00 -0.52 0.41 0.00 0.02 0.00 0.00 57.03 56.94 3h1i h ASP 266 Cb 0.16 -0.24 -0.15 0.00 0.22 0.00 0.00 39.33 39.32 3h1i h ASP 266 CO 0.00 1.30 0.64 0.59 -1.72 0.00 0.00 179.24 180.05 3h1i n ASN 267 N -3.92 0.27 0.00 6.45 3.02 -1.03 0.30 115.26 120.34 3h1i n ASN 267 Ca -0.06 1.42 0.00 0.00 -0.03 0.00 0.00 54.58 55.91 3h1i n ASN 267 Cb 0.72 -0.69 0.00 0.00 -0.61 0.00 0.00 39.78 39.20 3h1i n ASN 267 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3h1i n VAL 268 N -4.85 0.00 -0.36 2.41 0.31 -1.20 -1.29 118.33 113.36 3h1i n VAL 268 Ca 0.36 1.31 -0.05 0.00 -0.01 0.00 0.00 64.34 65.95 3h1i n VAL 268 Cb 1.30 -2.07 -0.03 0.00 -0.91 0.00 0.00 33.84 32.13 3h1i n VAL 268 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3h1i n VAL 269 N -1.83 -0.53 -0.26 2.52 0.31 0.15 0.52 118.33 119.21 3h1i n VAL 269 Ca 0.00 2.10 0.04 0.00 -0.01 0.00 0.00 64.34 66.47 3h1i n VAL 269 Cb 0.00 -2.68 0.13 0.00 -0.91 0.00 0.00 33.84 30.38 3h1i n VAL 269 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3h1i h LEU 270 N 0.00 -0.47 -1.37 7.52 3.38 -1.08 0.48 115.31 123.77 3h1i h LEU 270 Ca 0.22 0.20 -0.04 0.00 0.09 0.00 0.00 57.88 58.36 3h1i h LEU 270 Cb 0.44 0.38 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 3h1i h LEU 270 CO -0.85 -0.20 0.01 0.45 0.09 0.00 0.00 178.44 177.93 3h1i h HIS 271 N 0.06 0.43 -0.09 1.13 3.86 0.14 0.12 115.15 120.81 3h1i h HIS 271 Ca 0.39 -0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.57 3h1i h HIS 271 Cb 0.67 -0.13 -0.00 0.00 1.06 0.00 0.00 27.41 29.00 3h1i h HIS 271 CO -0.48 0.43 0.05 0.28 0.86 0.00 0.00 177.93 179.06 3h1i h VAL 272 N 0.41 1.10 0.30 2.45 2.07 0.64 -1.77 116.25 121.45 3h1i h VAL 272 Ca 0.09 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 3h1i h VAL 272 Cb 0.26 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 3h1i h VAL 272 CO 0.01 0.08 -0.37 0.00 0.02 0.00 0.00 177.57 177.31 3h1i h ALA 273 N 0.94 -1.01 0.00 1.67 0.00 0.12 -0.29 119.26 120.70 3h1i h ALA 273 Ca 0.03 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3h1i h ALA 273 Cb 0.09 0.63 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3h1i h ALA 273 CO -0.00 -1.04 0.63 -0.91 0.00 0.00 0.00 179.25 177.92 3h1i h ASN 274 N -0.68 0.00 0.87 0.00 -0.26 -0.62 1.58 115.58 116.47 3h1i h ASN 274 Ca -0.04 0.00 -0.20 0.00 -0.56 0.00 0.00 56.30 55.50 3h1i h ASN 274 Cb 0.61 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 37.84 3h1i h ASN 274 CO -0.08 0.00 -1.21 0.00 -1.06 0.00 0.00 177.43 175.08 3h1i h ALA 275 N 0.53 0.61 -0.26 -0.83 0.00 -0.14 -2.46 119.26 116.71 3h1i h ALA 275 Ca 0.00 -0.97 -0.09 0.00 0.00 0.00 0.00 54.91 53.84 3h1i h ALA 275 Cb 1.25 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 19.18 3h1i h ALA 275 CO 0.00 1.15 -0.20 0.82 0.00 0.00 0.00 179.25 181.02 3h1i h ILE 276 N 0.00 1.31 0.00 0.00 2.04 0.25 -3.08 117.51 118.04 3h1i h ILE 276 Ca -0.13 -1.35 0.00 0.00 1.00 0.00 0.00 64.86 64.39 3h1i h ILE 276 Cb 1.73 1.62 0.00 0.00 -0.74 0.00 0.00 36.82 39.42 3h1i h ILE 276 CO 0.08 0.42 -0.33 0.40 0.00 0.00 0.00 178.15 178.73 3h1i h ILE 277 N 0.31 0.00 0.00 -0.67 2.04 -1.67 -3.40 117.51 114.11 3h1i h ILE 277 Ca 0.05 -0.92 0.00 0.00 1.00 0.00 0.00 64.86 64.99 3h1i h ILE 277 Cb 0.75 1.74 0.00 0.00 -0.74 0.00 0.00 36.82 38.57 3h1i h ILE 277 CO 0.05 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.81 3h1i n GLY 278 N 1.16 1.36 3.26 5.37 0.00 -0.93 -4.64 105.19 110.78 3h1i n GLY 278 Ca 0.03 -0.36 -0.13 0.00 0.00 0.00 0.00 46.02 45.56 3h1i n GLY 278 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3h1i s ARG 279 N 0.00 0.75 0.14 1.61 1.70 -1.26 -3.01 118.95 118.89 3h1i s ARG 279 Ca 0.00 -0.28 0.00 0.00 -0.47 0.00 0.00 55.73 54.98 3h1i s ARG 279 Cb 0.00 0.33 -0.04 0.00 -0.57 0.00 0.00 34.95 34.67 3h1i s ARG 279 CO 0.00 -0.22 0.02 -0.47 -1.08 0.00 0.00 175.30 173.55 3h1i s TYR 280 N -1.79 1.00 -0.30 5.89 5.04 -0.69 -4.99 117.35 121.52 3h1i s TYR 280 Ca -0.10 -1.12 -0.16 0.00 -2.44 0.00 0.00 57.07 53.25 3h1i s TYR 280 Cb -0.03 -0.57 0.18 0.00 0.35 0.00 0.00 41.96 41.89 3h1i s TYR 280 CO 0.02 -0.36 1.14 0.34 -1.34 0.00 0.00 175.55 175.35 3h1i s ASP 281 N -3.10 -0.26 0.00 4.32 2.15 -1.26 -1.48 116.67 117.04 3h1i s ASP 281 Ca 0.23 0.41 0.00 0.00 0.43 0.00 0.00 52.55 53.61 3h1i s ASP 281 Cb 0.07 1.15 0.00 0.00 -0.30 0.00 0.00 42.92 43.84 3h1i s ASP 281 CO 0.02 -0.06 0.00 0.54 -0.17 0.00 0.00 175.17 175.50 3h1i n ARG 282 N 3.64 0.00 0.24 4.34 5.12 -0.82 -0.77 116.66 128.39 3h1i n ARG 282 Ca -0.16 0.00 0.12 0.00 -1.93 0.00 0.00 57.85 55.89 3h1i n ARG 282 Cb 0.56 0.00 0.45 0.00 -1.16 0.00 0.00 32.46 32.31 3h1i n ARG 282 CO 0.00 0.00 0.00 1.79 -1.93 0.00 0.00 177.63 177.49 3h1i h THR 283 N 0.00 0.28 -1.87 0.55 1.35 -1.98 -3.45 112.91 107.79 3h1i h THR 283 Ca 0.00 -0.97 -0.66 0.00 -0.55 0.00 0.00 66.41 64.23 3h1i h THR 283 Cb 0.00 1.77 0.07 0.00 -1.73 0.00 0.00 68.15 68.26 3h1i h THR 283 CO 0.00 0.12 0.35 0.49 -0.25 0.00 0.00 175.52 176.23 3h1i n PHE 284 N -3.22 1.41 0.16 4.73 3.01 0.05 -4.83 117.46 118.77 3h1i n PHE 284 Ca 0.01 0.65 0.09 0.00 1.01 0.00 0.00 57.45 59.22 3h1i n PHE 284 Cb 0.43 -2.31 0.08 0.00 -0.01 0.00 0.00 39.48 37.67 3h1i n PHE 284 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 3h1i h GLY 285 N 3.84 0.00 -0.22 1.37 0.00 -1.90 -3.34 103.07 102.81 3h1i h GLY 285 Ca -0.45 0.00 0.12 0.00 0.00 0.00 0.00 47.33 47.00 3h1i h GLY 285 CO 0.73 0.00 -0.17 -1.33 0.00 0.00 0.00 176.54 175.77 3h1i h GLY 286 N 3.90 0.36 0.00 4.60 0.00 -1.98 -3.46 103.07 106.49 3h1i h GLY 286 Ca -0.01 0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.55 3h1i h GLY 286 CO 0.01 -0.23 0.00 0.61 0.00 0.00 0.00 176.54 176.93 3h1i n GLY 287 N -1.42 1.33 0.07 4.60 0.00 -1.26 -2.99 105.19 105.52 3h1i n GLY 287 Ca 0.06 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.53 3h1i n GLY 287 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3h1i n LYS 288 N 2.14 0.01 -0.01 1.61 2.85 -1.26 -0.17 118.16 123.34 3h1i n LYS 288 Ca 0.00 0.23 0.08 0.00 -1.05 0.00 0.00 58.31 57.57 3h1i n LYS 288 Cb 0.00 -2.09 -0.14 0.00 -0.65 0.00 0.00 35.03 32.15 3h1i n LYS 288 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 3h1i n HIS 289 N -1.36 0.16 -0.77 5.58 8.25 -1.16 -4.89 115.22 121.03 3h1i n HIS 289 Ca -0.00 0.05 -0.26 0.00 -0.26 0.00 0.00 57.72 57.25 3h1i n HIS 289 Cb 0.56 -0.65 0.02 0.00 1.12 0.00 0.00 29.99 31.04 3h1i n HIS 289 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3h1i n LEU 290 N -2.40 -3.61 0.03 2.41 4.77 0.76 -4.86 117.00 114.11 3h1i n LEU 290 Ca -0.08 0.26 0.12 0.00 -0.03 0.00 0.00 56.01 56.28 3h1i n LEU 290 Cb 0.66 -0.56 0.17 0.00 -2.33 0.00 0.00 43.42 41.36 3h1i n LEU 290 CO 0.45 -3.92 0.31 -1.20 -1.33 0.00 0.00 177.39 171.70 3h1i n SER 291 N 2.19 0.61 -4.60 -1.43 7.64 -1.26 -4.71 113.62 112.07 3h1i n SER 291 Ca 0.01 -0.07 -0.43 0.00 1.01 0.00 0.00 58.87 59.39 3h1i n SER 291 Cb 0.37 0.33 -0.02 0.00 -1.01 0.00 0.00 64.21 63.87 3h1i n SER 291 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3h1i s SER 292 N -3.75 6.54 0.03 6.43 0.15 -1.26 -4.93 113.70 116.92 3h1i s SER 292 Ca 0.07 0.46 -0.06 0.00 0.70 0.00 0.00 55.95 57.12 3h1i s SER 292 Cb 0.15 -2.55 -0.01 0.00 -1.71 0.00 0.00 66.02 61.90 3h1i s SER 292 CO 0.73 -1.33 0.93 0.54 1.20 0.00 0.00 173.24 175.31 3h1i n ARG 293 N 8.01 -0.09 -0.33 5.44 1.74 -1.26 0.37 116.66 130.54 3h1i n ARG 293 Ca 0.12 0.93 0.17 0.00 -0.77 0.00 0.00 57.85 58.30 3h1i n ARG 293 Cb 0.49 -1.38 0.40 0.00 -1.02 0.00 0.00 32.46 30.95 3h1i n ARG 293 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3h1i h LEU 294 N 0.00 0.63 -0.21 0.55 5.85 -1.90 0.15 115.31 120.38 3h1i h LEU 294 Ca 0.03 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 3h1i h LEU 294 Cb 0.08 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 3h1i h LEU 294 CO -0.19 0.18 0.12 0.00 -0.34 0.00 0.00 178.44 178.21 3h1i h ALA 295 N 1.65 0.27 0.01 1.25 0.00 -0.34 0.12 119.26 122.22 3h1i h ALA 295 Ca 0.58 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.44 3h1i h ALA 295 Cb 1.15 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 3h1i h ALA 295 CO -0.35 -0.20 -0.13 0.00 0.00 0.00 0.00 179.25 178.58 3h1i h ALA 296 N 1.01 -0.62 -0.71 0.00 0.00 0.89 -0.49 119.26 119.34 3h1i h ALA 296 Ca 0.08 -0.02 0.14 0.00 0.00 0.00 0.00 54.91 55.10 3h1i h ALA 296 Cb 0.06 0.59 -0.10 0.00 0.00 0.00 0.00 17.79 18.35 3h1i h ALA 296 CO -0.01 -0.65 0.23 -0.07 0.00 0.00 0.00 179.25 178.74 3h1i h LEU 297 N -0.16 0.15 -0.95 0.00 3.38 -1.51 0.45 115.31 116.66 3h1i h LEU 297 Ca 0.00 0.12 0.27 0.00 0.09 0.00 0.00 57.88 58.36 3h1i h LEU 297 Cb 0.17 0.13 -0.14 0.00 0.09 0.00 0.00 40.66 40.91 3h1i h LEU 297 CO -0.08 0.05 0.46 0.00 0.09 0.00 0.00 178.44 178.96 3h1i h ALA 298 N 1.54 1.67 0.13 1.53 0.00 0.08 -0.95 119.26 123.27 3h1i h ALA 298 Ca 0.39 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.47 3h1i h ALA 298 Cb 0.60 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3h1i h ALA 298 CO -0.42 -0.46 -0.06 0.28 0.00 0.00 0.00 179.25 178.58 3h1i h VAL 299 N 0.35 0.27 -0.94 0.00 2.07 0.13 0.50 116.25 118.64 3h1i h VAL 299 Ca 0.65 -1.03 0.24 0.00 0.82 0.00 0.00 66.70 67.38 3h1i h VAL 299 Cb 1.36 0.50 -0.17 0.00 -1.52 0.00 0.00 31.29 31.45 3h1i h VAL 299 CO -0.59 0.08 0.01 -0.08 0.02 0.00 0.00 177.57 177.01 3h1i h GLU 300 N -1.02 0.04 -0.31 1.57 4.81 0.08 -0.24 114.58 119.49 3h1i h GLU 300 Ca -0.02 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3h1i h GLU 300 Cb 0.28 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.65 3h1i h GLU 300 CO 0.03 0.02 0.00 0.72 -0.73 0.00 0.00 179.01 179.05 3h1i n HIS 301 N -5.46 1.04 -3.97 0.92 8.25 -0.43 -4.97 115.22 110.61 3h1i n HIS 301 Ca 0.20 -0.82 -0.27 0.00 -0.26 0.00 0.00 57.72 56.58 3h1i n HIS 301 Cb 0.67 -0.31 -0.02 0.00 1.12 0.00 0.00 29.99 31.46 3h1i n HIS 301 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3h1i n LYS 302 N -0.24 -3.51 0.08 -0.41 4.01 -0.10 -4.91 118.16 113.08 3h1i n LYS 302 Ca 0.21 0.43 -0.03 0.00 -0.51 0.00 0.00 58.31 58.41 3h1i n LYS 302 Cb 0.88 -4.70 -0.01 0.00 -0.51 0.00 0.00 35.03 30.69 3h1i n LYS 302 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 3h1i h LEU 303 N -1.81 -0.16 -9.33 -0.35 3.38 -0.20 -3.47 115.31 103.37 3h1i h LEU 303 Ca -0.62 0.01 -0.55 0.00 0.09 0.00 0.00 57.88 56.80 3h1i h LEU 303 Cb 1.38 0.04 -0.14 0.00 0.09 0.00 0.00 40.66 42.03 3h1i h LEU 303 CO 0.64 -0.12 -0.65 0.00 0.09 0.00 0.00 178.44 178.40 3h1i h HIS 305 N 2.09 0.00 0.00 0.00 3.86 -0.75 -3.44 115.15 116.92 3h1i h HIS 305 Ca -0.41 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.80 3h1i h HIS 305 Cb 1.24 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.71 3h1i h HIS 305 CO 0.70 0.16 0.00 -1.13 0.86 0.00 0.00 177.93 178.52 3h1i n SER 306 N -3.03 0.00 -3.59 2.45 3.41 -1.18 -1.95 113.62 109.73 3h1i n SER 306 Ca 0.02 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.48 3h1i n SER 306 Cb 0.60 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.50 3h1i n SER 306 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 3h1i s PHE 307 N -2.00 -0.42 -0.14 7.33 -0.12 -0.55 -0.97 117.98 121.10 3h1i s PHE 307 Ca 0.00 0.54 -0.17 0.00 -0.05 0.00 0.00 56.93 57.25 3h1i s PHE 307 Cb 0.00 0.32 0.04 0.00 -0.63 0.00 0.00 43.02 42.75 3h1i s PHE 307 CO 0.00 -0.61 0.46 1.14 -0.05 0.00 0.00 175.22 176.16 3h1i s GLN 308 N -2.14 0.59 0.42 1.99 -2.07 0.12 -1.70 119.66 116.86 3h1i s GLN 308 Ca -0.07 0.51 -0.06 0.00 -1.82 0.00 0.00 55.36 53.92 3h1i s GLN 308 Cb -0.01 0.28 -0.05 0.00 -1.09 0.00 0.00 33.01 32.15 3h1i s GLN 308 CO 0.01 -0.10 0.72 0.95 -1.32 0.00 0.00 175.29 175.55 3h1i s THR 309 N -0.06 4.92 -0.28 3.63 -4.23 -1.16 -1.14 115.64 117.31 3h1i s THR 309 Ca -0.03 0.21 -0.25 0.00 -1.18 0.00 0.00 61.69 60.45 3h1i s THR 309 Cb -0.03 -3.81 0.11 0.00 1.34 0.00 0.00 72.50 70.11 3h1i s THR 309 CO 0.02 -0.66 0.98 0.72 -0.54 0.00 0.00 174.62 175.14 3h1i s PHE 310 N -2.50 -0.53 -0.51 3.99 -0.71 -1.16 -4.94 117.98 111.61 3h1i s PHE 310 Ca 0.47 1.30 0.07 0.00 -1.04 0.00 0.00 56.93 57.73 3h1i s PHE 310 Cb -0.10 0.35 0.29 0.00 -1.21 0.00 0.00 43.02 42.34 3h1i s PHE 310 CO 0.38 -0.26 0.73 -1.71 -1.34 0.00 0.00 175.22 173.02 3h1i n ASN 311 N 2.33 2.45 -4.65 1.98 5.15 -1.26 -1.42 115.26 119.84 3h1i n ASN 311 Ca -0.13 -3.22 -0.43 0.00 -0.60 0.00 0.00 54.58 50.20 3h1i n ASN 311 Cb 0.56 -0.63 -0.03 0.00 -0.53 0.00 0.00 39.78 39.14 3h1i n ASN 311 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 3h1i n THR 312 N 0.67 0.70 -4.03 -0.44 -1.04 -1.24 -4.84 114.28 104.06 3h1i n THR 312 Ca 0.27 -0.18 -0.21 0.00 -2.04 0.00 0.00 64.05 61.88 3h1i n THR 312 Cb 0.48 -2.31 -0.03 0.00 -1.82 0.00 0.00 70.33 66.64 3h1i n THR 312 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 3h1i s SER 313 N 5.00 5.86 0.20 8.00 0.01 -1.26 -0.67 113.70 130.84 3h1i s SER 313 Ca 0.91 -0.12 -0.05 0.00 1.31 0.00 0.00 55.95 57.99 3h1i s SER 313 Cb -0.45 -1.57 -0.03 0.00 0.21 0.00 0.00 66.02 64.18 3h1i s SER 313 CO 0.42 -0.07 0.24 -0.31 0.41 0.00 0.00 173.24 173.93 3h1i s TYR 314 N -2.08 0.81 0.10 2.43 1.51 -0.81 -4.88 117.35 114.43 3h1i s TYR 314 Ca 0.34 -1.10 -0.21 0.00 -1.01 0.00 0.00 57.07 55.09 3h1i s TYR 314 Cb -0.08 -0.28 -0.05 0.00 -0.11 0.00 0.00 41.96 41.44 3h1i s TYR 314 CO 0.27 -0.74 1.36 0.66 -1.11 0.00 0.00 175.55 175.99 3h1i h SER 315 N 2.53 -1.40 0.00 2.29 4.64 -1.95 -0.47 113.55 119.19 3h1i h SER 315 Ca -0.33 0.21 -0.11 0.00 -0.47 0.00 0.00 61.79 61.09 3h1i h SER 315 Cb 1.24 0.61 -0.02 0.00 -0.31 0.00 0.00 62.40 63.92 3h1i h SER 315 CO 0.48 -0.18 -1.92 -0.90 -0.87 0.00 0.00 176.83 173.45 3h1i n ASP 316 N -4.49 1.00 0.00 4.97 5.75 -1.26 -4.09 116.55 118.43 3h1i n ASP 316 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.79 3h1i n ASP 316 Cb 0.18 1.46 0.00 0.00 -1.03 0.00 0.00 41.12 41.73 3h1i n ASP 316 CO 0.00 0.00 0.00 1.07 -0.11 0.00 0.00 177.20 178.16 3h1i n THR 317 N -2.29 0.00 0.00 2.12 5.66 -1.24 -4.48 114.28 114.04 3h1i n THR 317 Ca -0.12 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.88 3h1i n THR 317 Cb 0.67 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.45 3h1i n THR 317 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3h1i n GLY 318 N 3.77 0.36 2.41 1.09 0.00 -0.70 -1.66 105.19 110.46 3h1i n GLY 318 Ca 0.00 -0.81 -0.27 0.00 0.00 0.00 0.00 46.02 44.94 3h1i n GLY 318 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3h1i n LEU 319 N 0.00 -0.15 -4.69 0.99 4.77 0.15 -0.12 117.00 117.95 3h1i n LEU 319 Ca 0.00 -4.47 -0.42 0.00 -0.03 0.00 0.00 56.01 51.09 3h1i n LEU 319 Cb 0.00 0.45 -0.03 0.00 -2.33 0.00 0.00 43.42 41.51 3h1i n LEU 319 CO 0.00 1.87 0.78 0.12 -1.33 0.00 0.00 177.39 178.83 3h1i s PHE 320 N -0.17 3.52 0.00 -1.77 5.36 -0.55 -3.58 117.98 120.79 3h1i s PHE 320 Ca 0.33 1.60 0.00 0.00 -0.96 0.00 0.00 56.93 57.89 3h1i s PHE 320 Cb 0.04 -3.19 0.00 0.00 -0.34 0.00 0.00 43.02 39.54 3h1i s PHE 320 CO -0.19 -0.23 0.00 0.41 -1.46 0.00 0.00 175.22 173.75 3h1i n GLY 321 N 3.08 1.84 3.55 13.12 0.00 -0.51 0.78 105.19 127.05 3h1i n GLY 321 Ca 0.08 -0.05 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 3h1i n GLY 321 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3h1i s PHE 322 N 0.38 -0.46 -0.05 1.61 -0.12 0.30 -2.97 117.98 116.66 3h1i s PHE 322 Ca 0.00 0.74 0.00 0.00 -0.05 0.00 0.00 56.93 57.62 3h1i s PHE 322 Cb 0.00 0.45 0.02 0.00 -0.63 0.00 0.00 43.02 42.86 3h1i s PHE 322 CO 0.00 -0.46 -0.02 -1.58 -0.05 0.00 0.00 175.22 173.11 3h1i s HIS 323 N -1.41 0.68 0.09 3.49 2.46 -0.29 -1.09 115.29 119.21 3h1i s HIS 323 Ca -0.04 -0.18 0.04 0.00 0.47 0.00 0.00 55.06 55.35 3h1i s HIS 323 Cb -0.00 -0.68 -0.03 0.00 -0.13 0.00 0.00 32.58 31.73 3h1i s HIS 323 CO 0.03 -0.23 -0.10 -0.59 -2.47 0.00 0.00 174.74 171.37 3h1i s PHE 324 N 1.27 1.04 -0.13 3.88 -0.12 -0.61 0.12 117.98 123.43 3h1i s PHE 324 Ca -0.06 -0.60 0.01 0.00 -0.05 0.00 0.00 56.93 56.23 3h1i s PHE 324 Cb -0.14 -0.58 0.02 0.00 -0.63 0.00 0.00 43.02 41.70 3h1i s PHE 324 CO -0.02 -0.00 -0.14 0.08 -0.05 0.00 0.00 175.22 175.09 3h1i s VAL 325 N -2.11 1.47 0.26 -2.49 1.01 -0.14 -1.54 120.40 116.86 3h1i s VAL 325 Ca 0.02 -0.59 -0.05 0.00 0.00 0.00 0.00 61.98 61.36 3h1i s VAL 325 Cb -0.05 -1.38 -0.02 0.00 0.00 0.00 0.00 36.38 34.94 3h1i s VAL 325 CO 0.00 0.44 0.33 0.00 0.00 0.00 0.00 175.10 175.88 3h1i s ALA 326 N 1.30 0.64 0.46 5.51 0.00 -0.86 0.03 121.76 128.84 3h1i s ALA 326 Ca -0.00 -1.40 -0.24 0.00 0.00 0.00 0.00 51.96 50.32 3h1i s ALA 326 Cb -0.14 1.24 -0.07 0.00 0.00 0.00 0.00 23.12 24.14 3h1i s ALA 326 CO -0.06 -0.73 1.37 -0.51 0.00 0.00 0.00 175.76 175.82 3h1i s ASP 327 N -3.14 5.85 0.55 0.00 1.01 -1.26 -2.01 116.67 117.66 3h1i s ASP 327 Ca 0.32 2.79 0.43 0.00 0.71 0.00 0.00 52.55 56.80 3h1i s ASP 327 Cb 0.02 -2.64 1.64 0.00 1.01 0.00 0.00 42.92 42.95 3h1i s ASP 327 CO 0.14 -1.18 1.69 1.55 0.21 0.00 0.00 175.17 177.58 3h1i h PRO 328 N 2.18 0.00 -0.67 8.23 0.13 -1.82 -2.28 132.00 137.78 3h1i h PRO 328 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 3h1i h PRO 328 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 3h1i h PRO 328 CO 0.60 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.65 3h1i n LEU 329 N -4.06 4.59 0.00 1.56 4.77 -1.26 -4.16 117.00 118.44 3h1i n LEU 329 Ca 0.35 -2.33 0.00 0.00 -0.03 0.00 0.00 56.01 54.00 3h1i n LEU 329 Cb 1.62 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 42.08 3h1i n LEU 329 CO 0.43 0.56 -0.01 -1.54 -1.33 0.00 0.00 177.39 175.50 3h1i n SER 330 N 0.55 0.08 -0.23 -1.43 3.41 -0.86 -4.86 113.62 110.27 3h1i n SER 330 Ca 0.22 -0.02 0.03 0.00 -0.26 0.00 0.00 58.87 58.84 3h1i n SER 330 Cb 0.95 0.05 0.08 0.00 -0.26 0.00 0.00 64.21 65.04 3h1i n SER 330 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 3h1i n ILE 331 N -0.06 -0.28 0.00 -1.33 5.41 -1.22 -1.35 119.36 120.53 3h1i n ILE 331 Ca 0.00 1.48 0.00 0.00 1.00 0.00 0.00 62.75 65.23 3h1i n ILE 331 Cb 0.00 -2.04 0.00 0.00 -0.71 0.00 0.00 39.64 36.89 3h1i n ILE 331 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 3h1i n ASP 332 N -5.04 0.00 -0.22 4.38 2.03 -1.26 -1.09 116.55 115.36 3h1i n ASP 332 Ca 0.10 0.56 0.06 0.00 0.52 0.00 0.00 54.79 56.02 3h1i n ASP 332 Cb 0.31 -0.06 0.12 0.00 -0.72 0.00 0.00 41.12 40.78 3h1i n ASP 332 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 3h1i n ASP 333 N -0.70 -0.16 0.00 1.67 8.00 -0.48 -0.51 116.55 124.37 3h1i n ASP 333 Ca 0.00 1.04 0.00 0.00 0.71 0.00 0.00 54.79 56.54 3h1i n ASP 333 Cb 0.00 -0.34 0.00 0.00 -0.02 0.00 0.00 41.12 40.76 3h1i n ASP 333 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 3h1i n MET 334 N -4.91 0.00 -0.33 -1.24 1.56 -0.45 -1.19 117.12 110.55 3h1i n MET 334 Ca 0.12 0.60 -0.04 0.00 -0.27 0.00 0.00 57.70 58.10 3h1i n MET 334 Cb 0.37 -1.41 -0.02 0.00 2.15 0.00 0.00 33.22 34.31 3h1i n MET 334 CO 0.00 0.00 0.00 -0.12 -0.73 0.00 0.00 175.97 175.12 3h1i n MET 335 N -2.07 -0.27 -0.26 2.12 0.00 0.34 -0.17 117.12 116.81 3h1i n MET 335 Ca 0.00 1.27 -0.07 0.00 -0.00 0.00 0.00 57.70 58.90 3h1i n MET 335 Cb 0.00 -1.88 -0.03 0.00 0.00 0.00 0.00 33.22 31.31 3h1i n MET 335 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 175.97 176.32 3h1i h PHE 336 N 0.00 -1.29 -0.65 1.12 3.57 -0.70 0.17 116.94 119.15 3h1i h PHE 336 Ca 0.22 0.09 0.01 0.00 3.53 0.00 0.00 57.97 61.82 3h1i h PHE 336 Cb 0.43 0.66 -0.03 0.00 2.79 0.00 0.00 35.95 39.80 3h1i h PHE 336 CO -0.79 -0.41 0.42 0.00 -2.23 0.00 0.00 178.31 175.31 3h1i h ALA 338 N 1.24 -0.70 -0.99 0.00 0.00 0.84 -0.25 119.26 119.42 3h1i h ALA 338 Ca 0.24 -0.00 0.29 0.00 0.00 0.00 0.00 54.91 55.43 3h1i h ALA 338 Cb -0.08 0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 3h1i h ALA 338 CO -0.06 -0.70 0.87 1.96 0.00 0.00 0.00 179.25 181.32 3h1i h GLN 339 N -0.02 0.00 0.35 0.00 4.20 -0.74 0.86 115.11 119.75 3h1i h GLN 339 Ca -0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 3h1i h GLN 339 Cb 0.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.80 3h1i h GLN 339 CO -0.00 0.00 -0.17 0.78 -0.67 0.00 0.00 178.83 178.77 3h1i h GLY 340 N 0.00 -0.48 -0.12 3.46 0.00 -0.24 -1.74 103.07 103.95 3h1i h GLY 340 Ca 0.47 0.18 0.11 0.00 0.00 0.00 0.00 47.33 48.09 3h1i h GLY 340 CO -0.00 -0.18 -0.15 0.83 0.00 0.00 0.00 176.54 177.04 3h1i h GLU 341 N -0.77 -0.01 -0.25 4.80 4.39 0.24 0.85 114.58 123.83 3h1i h GLU 341 Ca -0.05 0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.71 3h1i h GLU 341 Cb 0.51 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 29.09 3h1i h GLU 341 CO 0.08 -0.01 -0.39 -1.49 -1.16 0.00 0.00 179.01 176.04 3h1i h TRP 342 N -0.01 -1.12 -0.35 4.33 6.55 -1.30 0.57 115.95 124.62 3h1i h TRP 342 Ca 0.26 0.05 0.07 0.00 0.95 0.00 0.00 58.89 60.23 3h1i h TRP 342 Cb 0.41 0.53 -0.07 0.00 -0.86 0.00 0.00 29.16 29.17 3h1i h TRP 342 CO -0.47 -0.44 -0.13 0.52 -1.05 0.00 0.00 178.44 176.88 3h1i h MET 343 N -0.39 -0.05 -0.73 0.49 2.86 0.55 0.20 114.93 117.86 3h1i h MET 343 Ca 0.11 0.00 0.11 0.00 -2.06 0.00 0.00 59.70 57.86 3h1i h MET 343 Cb 0.59 0.01 -0.05 0.00 0.06 0.00 0.00 31.60 32.21 3h1i h MET 343 CO -0.46 -0.04 0.48 -0.09 1.06 0.00 0.00 176.91 177.86 3h1i h ARG 344 N -0.05 0.57 -0.12 1.72 2.43 0.25 -0.81 114.38 118.37 3h1i h ARG 344 Ca 0.18 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.32 3h1i h ARG 344 Cb 0.32 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 3h1i h ARG 344 CO -0.39 0.38 0.03 -0.07 -1.51 0.00 0.00 179.97 178.41 3h1i h LEU 345 N 0.59 0.03 0.00 3.80 3.38 0.32 0.49 115.31 123.91 3h1i h LEU 345 Ca 0.34 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.33 3h1i h LEU 345 Cb 0.54 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3h1i h LEU 345 CO -0.12 0.04 0.00 0.00 0.09 0.00 0.00 178.44 178.45 3h1i n THR 347 N -1.01 0.00 -2.36 0.00 -2.24 -0.63 -4.71 114.28 103.32 3h1i n THR 347 Ca 0.19 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 62.01 3h1i n THR 347 Cb 0.09 -0.30 0.03 0.00 -2.10 0.00 0.00 70.33 68.06 3h1i n THR 347 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3h1i n SER 348 N -1.95 0.91 -4.76 3.42 3.41 0.16 -5.07 113.62 109.75 3h1i n SER 348 Ca 0.00 -2.13 -0.41 0.00 -0.26 0.00 0.00 58.87 56.07 3h1i n SER 348 Cb 0.27 -0.30 -0.01 0.00 -0.26 0.00 0.00 64.21 63.90 3h1i n SER 348 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3h1i s THR 349 N -0.23 2.04 0.47 6.66 2.01 -1.17 -4.98 115.64 120.43 3h1i s THR 349 Ca 0.29 0.03 0.08 0.00 0.31 0.00 0.00 61.69 62.41 3h1i s THR 349 Cb 0.33 -3.02 0.03 0.00 0.01 0.00 0.00 72.50 69.85 3h1i s THR 349 CO -0.14 0.01 0.61 0.42 -0.69 0.00 0.00 174.62 174.83 3h1i s THR 350 N -0.21 2.66 0.23 -0.82 -4.23 -1.26 -4.85 115.64 107.17 3h1i s THR 350 Ca 0.61 -1.05 -0.02 0.00 -1.18 0.00 0.00 61.69 60.05 3h1i s THR 350 Cb -0.48 -2.72 0.04 0.00 1.34 0.00 0.00 72.50 70.68 3h1i s THR 350 CO 0.51 0.00 1.65 -0.33 -0.54 0.00 0.00 174.62 175.91 3h1i h GLU 351 N 0.55 0.65 -0.15 3.99 4.39 -1.99 -2.70 114.58 119.32 3h1i h GLU 351 Ca -0.37 -0.27 -0.09 0.00 0.34 0.00 0.00 59.36 58.97 3h1i h GLU 351 Cb 1.28 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.89 3h1i h GLU 351 CO 0.45 0.85 -0.30 0.77 -1.16 0.00 0.00 179.01 179.63 3h1i h SER 352 N 0.56 0.30 -0.06 1.42 0.02 -1.99 -0.83 113.55 112.97 3h1i h SER 352 Ca 0.07 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 3h1i h SER 352 Cb 0.75 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 63.20 3h1i h SER 352 CO 0.06 0.59 0.01 -0.33 -1.14 0.00 0.00 176.83 176.02 3h1i h GLU 353 N 0.26 0.11 -0.36 3.45 5.08 -1.88 -3.04 114.58 118.20 3h1i h GLU 353 Ca 0.04 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.30 3h1i h GLU 353 Cb 0.67 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 3h1i h GLU 353 CO 0.05 0.36 -0.04 -0.39 -1.00 0.00 0.00 179.01 177.99 3h1i h VAL 354 N -0.15 1.27 -0.73 3.13 -1.51 -1.35 -2.84 116.25 114.07 3h1i h VAL 354 Ca 0.02 -1.06 0.14 0.00 -1.23 0.00 0.00 66.70 64.57 3h1i h VAL 354 Cb 0.30 1.23 -0.14 0.00 -2.13 0.00 0.00 31.29 30.55 3h1i h VAL 354 CO 0.00 0.35 -0.26 0.50 -1.23 0.00 0.00 177.57 176.93 3h1i h LYS 355 N 0.47 -0.06 0.46 5.19 3.64 -1.14 0.02 116.57 125.15 3h1i h LYS 355 Ca 0.10 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.46 3h1i h LYS 355 Cb 0.52 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 3h1i h LYS 355 CO 0.03 -0.04 -0.22 -0.09 -2.27 0.00 0.00 179.45 176.86 3h1i h ARG 356 N -0.06 -0.60 -0.67 1.90 2.43 -1.45 -2.82 114.38 113.10 3h1i h ARG 356 Ca 0.32 0.04 0.07 0.00 -0.81 0.00 0.00 59.98 59.60 3h1i h ARG 356 Cb 0.56 0.14 -0.09 0.00 -0.42 0.00 0.00 29.97 30.16 3h1i h ARG 356 CO -0.77 -0.40 -0.36 0.00 -1.51 0.00 0.00 179.97 176.93 3h1i n ALA 357 N -2.32 -0.33 -0.36 2.80 0.00 -0.87 0.16 120.51 119.59 3h1i n ALA 357 Ca -0.08 0.60 -0.11 0.00 0.00 0.00 0.00 53.44 53.85 3h1i n ALA 357 Cb 0.24 -0.16 -0.10 0.00 0.00 0.00 0.00 19.45 19.44 3h1i n ALA 357 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3h1i h LYS 358 N 0.00 -0.06 -0.26 0.00 1.57 -0.95 1.07 116.57 117.94 3h1i h LYS 358 Ca 0.15 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.96 3h1i h LYS 358 Cb 0.31 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 3h1i h LYS 358 CO -0.64 -0.04 0.18 -0.91 -0.57 0.00 0.00 179.45 177.46 3h1i h ASN 359 N -0.07 0.19 0.05 0.86 2.35 0.18 0.16 115.58 119.31 3h1i h ASN 359 Ca 0.14 -0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.89 3h1i h ASN 359 Cb 0.43 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.76 3h1i h ASN 359 CO -0.86 0.13 -0.02 -0.74 -1.65 0.00 0.00 177.43 174.29 3h1i h HIS 360 N 0.23 -0.06 -0.34 1.19 2.76 0.31 -3.11 115.15 116.12 3h1i h HIS 360 Ca 0.11 -0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.34 3h1i h HIS 360 Cb 0.16 0.02 -0.05 0.00 1.55 0.00 0.00 27.41 29.09 3h1i h HIS 360 CO -0.00 0.45 0.02 1.25 -1.30 0.00 0.00 177.93 178.35 3h1i h LEU 361 N -0.61 -0.10 -0.68 0.26 5.85 0.18 -1.74 115.31 118.46 3h1i h LEU 361 Ca -0.01 0.07 0.15 0.00 0.84 0.00 0.00 57.88 58.93 3h1i h LEU 361 Cb 0.54 0.12 -0.12 0.00 0.37 0.00 0.00 40.66 41.57 3h1i h LEU 361 CO 0.01 -0.01 0.01 0.03 -0.34 0.00 0.00 178.44 178.13 3h1i h ARG 362 N 0.12 0.11 -0.00 1.25 3.08 -0.78 0.18 114.38 118.33 3h1i h ARG 362 Ca 0.16 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.22 3h1i h ARG 362 Cb 0.22 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 3h1i h ARG 362 CO -0.26 0.07 -0.06 0.77 -1.07 0.00 0.00 179.97 179.42 3h1i h SER 363 N 0.12 -0.19 -0.75 7.04 0.02 -1.25 -0.48 113.55 118.06 3h1i h SER 363 Ca 0.37 0.03 0.01 0.00 -0.84 0.00 0.00 61.79 61.36 3h1i h SER 363 Cb 0.62 0.08 -0.04 0.00 0.14 0.00 0.00 62.40 63.20 3h1i h SER 363 CO -0.59 -0.10 0.49 0.00 -1.14 0.00 0.00 176.83 175.50 3h1i h ALA 364 N 0.88 0.96 -0.70 3.77 0.00 -1.07 0.72 119.26 123.83 3h1i h ALA 364 Ca 0.03 -0.04 0.15 0.00 0.00 0.00 0.00 54.91 55.04 3h1i h ALA 364 Cb 0.15 -0.29 -0.13 0.00 0.00 0.00 0.00 17.79 17.52 3h1i h ALA 364 CO -0.07 0.34 -0.09 1.98 0.00 0.00 0.00 179.25 181.41 3h1i h MET 365 N 0.99 0.05 0.13 0.00 -1.53 0.06 0.15 114.93 114.77 3h1i h MET 365 Ca 0.28 -0.00 -0.01 0.00 -3.44 0.00 0.00 59.70 56.53 3h1i h MET 365 Cb -0.08 -0.01 0.00 0.00 -0.55 0.00 0.00 31.60 30.96 3h1i h MET 365 CO -0.08 0.03 -0.06 0.28 0.14 0.00 0.00 176.91 177.22 3h1i h VAL 366 N 0.05 1.05 0.00 -5.77 2.07 0.42 -3.19 116.25 110.89 3h1i h VAL 366 Ca 0.36 -1.00 0.00 0.00 0.82 0.00 0.00 66.70 66.87 3h1i h VAL 366 Cb 0.58 1.65 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 3h1i h VAL 366 CO -0.67 0.23 0.11 0.00 0.02 0.00 0.00 177.57 177.26 3h1i n ALA 367 N -2.44 0.85 0.15 1.67 0.00 0.24 0.87 120.51 121.85 3h1i n ALA 367 Ca -0.09 0.09 0.06 0.00 0.00 0.00 0.00 53.44 53.51 3h1i n ALA 367 Cb 0.26 -0.97 0.06 0.00 0.00 0.00 0.00 19.45 18.80 3h1i n ALA 367 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3h1i h GLN 368 N 0.00 0.00 -2.42 0.00 1.08 -0.74 -3.31 115.11 109.72 3h1i h GLN 368 Ca 0.00 0.00 -0.70 0.00 -1.45 0.00 0.00 58.65 56.50 3h1i h GLN 368 Cb 0.21 0.00 -0.35 0.00 -0.05 0.00 0.00 27.48 27.29 3h1i h GLN 368 CO 0.00 0.27 0.16 1.28 -0.95 0.00 0.00 178.83 179.58 3h1i n LEU 369 N -3.10 5.52 -3.84 1.46 4.77 0.25 -4.23 117.00 117.84 3h1i n LEU 369 Ca 0.01 -5.43 -0.29 0.00 -0.03 0.00 0.00 56.01 50.27 3h1i n LEU 369 Cb 0.66 -0.92 -0.13 0.00 -2.33 0.00 0.00 43.42 40.70 3h1i n LEU 369 CO 0.39 2.03 -0.15 -0.62 -1.33 0.00 0.00 177.39 177.71 3h1i s ASP 370 N -2.27 4.16 0.00 -1.43 2.15 -1.25 -4.90 116.67 113.13 3h1i s ASP 370 Ca 0.39 -3.29 0.00 0.00 0.43 0.00 0.00 52.55 50.09 3h1i s ASP 370 Cb 0.16 -1.43 0.00 0.00 -0.30 0.00 0.00 42.92 41.36 3h1i s ASP 370 CO -0.04 -0.17 0.00 0.61 -0.17 0.00 0.00 175.17 175.40 3h1i n GLY 371 N 2.71 -0.08 0.00 2.66 0.00 -1.26 -4.69 105.19 104.53 3h1i n GLY 371 Ca 0.14 -2.27 -0.00 0.00 0.00 0.00 0.00 46.02 43.88 3h1i n GLY 371 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3h1i h THR 372 N 0.00 0.00 -0.90 2.61 1.35 -1.94 -3.27 112.91 110.76 3h1i h THR 372 Ca 0.00 -0.06 0.08 0.00 -0.55 0.00 0.00 66.41 65.88 3h1i h THR 372 Cb 0.00 0.00 -0.11 0.00 -1.73 0.00 0.00 68.15 66.31 3h1i h THR 372 CO 0.00 0.00 -0.52 0.41 -0.25 0.00 0.00 175.52 175.16 3h1i n THR 373 N -2.18 -0.61 -0.22 6.82 -1.04 -1.26 -0.79 114.28 115.00 3h1i n THR 373 Ca -0.00 2.17 -0.06 0.00 -2.04 0.00 0.00 64.05 64.12 3h1i n THR 373 Cb 0.00 -2.68 -0.00 0.00 -1.82 0.00 0.00 70.33 65.82 3h1i n THR 373 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 3h1i h PRO 374 N 0.00 -0.16 0.18 -2.82 0.11 -1.83 0.65 132.00 128.12 3h1i h PRO 374 Ca 0.15 0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.28 3h1i h PRO 374 Cb 0.37 0.04 -0.04 0.00 0.11 0.00 0.00 31.00 31.48 3h1i h PRO 374 CO -0.84 -0.11 -0.36 0.28 -0.21 0.00 0.00 178.00 176.76 3h1i h VAL 375 N -0.17 0.25 -0.85 3.15 2.07 -1.01 -0.97 116.25 118.72 3h1i h VAL 375 Ca 0.23 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.94 3h1i h VAL 375 Cb 0.56 0.25 -0.11 0.00 -1.52 0.00 0.00 31.29 30.46 3h1i h VAL 375 CO -0.72 0.00 0.36 0.00 0.02 0.00 0.00 177.57 177.23 3h1i h GLU 377 N 0.43 -0.71 -0.74 0.00 4.57 -0.18 0.76 114.58 118.71 3h1i h GLU 377 Ca 0.50 0.05 0.16 0.00 -1.18 0.00 0.00 59.36 58.89 3h1i h GLU 377 Cb 0.88 0.16 -0.11 0.00 -0.16 0.00 0.00 28.75 29.52 3h1i h GLU 377 CO -0.48 -0.47 0.18 1.15 -1.18 0.00 0.00 179.01 178.20 3h1i h THR 378 N -0.74 0.52 0.16 0.32 2.02 0.23 0.38 112.91 115.80 3h1i h THR 378 Ca -0.05 -0.09 -0.01 0.00 0.77 0.00 0.00 66.41 67.03 3h1i h THR 378 Cb 0.61 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.24 3h1i h THR 378 CO 0.05 0.05 -0.08 0.40 0.37 0.00 0.00 175.52 176.31 3h1i h ILE 379 N 0.27 0.98 -0.87 3.11 2.04 -0.62 1.30 117.51 123.71 3h1i h ILE 379 Ca 0.42 -0.79 0.23 0.00 1.00 0.00 0.00 64.86 65.71 3h1i h ILE 379 Cb 0.71 1.44 -0.14 0.00 -0.74 0.00 0.00 36.82 38.09 3h1i h ILE 379 CO -0.51 0.18 0.23 1.23 0.00 0.00 0.00 178.15 179.28 3h1i h GLY 380 N -0.61 1.34 1.40 5.37 0.00 0.17 0.14 103.07 110.89 3h1i h GLY 380 Ca -0.02 -0.03 -0.05 0.00 0.00 0.00 0.00 47.33 47.22 3h1i h GLY 380 CO 0.04 -0.36 -0.76 1.76 0.00 0.00 0.00 176.54 177.22 3h1i h SER 381 N 0.21 0.00 0.30 0.19 0.02 -0.12 -3.16 113.55 111.00 3h1i h SER 381 Ca 0.54 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.48 3h1i h SER 381 Cb 1.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.63 3h1i h SER 381 CO -0.65 0.20 -0.15 0.45 -1.14 0.00 0.00 176.83 175.55 3h1i h HIS 382 N 0.00 -0.38 -0.51 3.45 -0.00 0.45 -2.36 115.15 115.80 3h1i h HIS 382 Ca -0.03 -0.01 0.02 0.00 -0.00 0.00 0.00 60.37 60.35 3h1i h HIS 382 Cb 1.18 0.12 -0.03 0.00 -0.00 0.00 0.00 27.41 28.69 3h1i h HIS 382 CO 0.00 -0.05 0.32 -0.07 -0.00 0.00 0.00 177.93 178.13 3h1i h LEU 383 N -0.75 0.52 -1.35 2.43 3.38 -0.85 0.12 115.31 118.82 3h1i h LEU 383 Ca -0.04 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 3h1i h LEU 383 Cb 0.50 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 3h1i h LEU 383 CO 0.07 0.37 0.28 0.25 0.09 0.00 0.00 178.44 179.50 3h1i h LEU 384 N 0.63 0.64 0.00 1.67 5.85 -1.56 -2.98 115.31 119.56 3h1i h LEU 384 Ca 0.20 -0.05 -0.19 0.00 0.84 0.00 0.00 57.88 58.68 3h1i h LEU 384 Cb -0.01 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 3h1i h LEU 384 CO -0.08 0.53 -1.51 0.59 -0.34 0.00 0.00 178.44 177.63 3h1i n ASN 385 N -4.40 1.22 0.10 1.25 3.02 -0.89 -4.73 115.26 110.83 3h1i n ASN 385 Ca 0.05 0.20 0.13 0.00 -0.03 0.00 0.00 54.58 54.93 3h1i n ASN 385 Cb 0.10 -0.48 0.41 0.00 -0.61 0.00 0.00 39.78 39.20 3h1i n ASN 385 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3h1i n TYR 386 N -3.79 0.91 0.00 3.10 4.01 0.39 -4.77 117.16 117.01 3h1i n TYR 386 Ca -0.24 0.27 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 3h1i n TYR 386 Cb 0.60 -0.94 0.00 0.00 -0.31 0.00 0.00 39.34 38.69 3h1i n TYR 386 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3h1i n GLY 387 N 1.27 2.86 0.00 2.72 0.00 -0.99 -4.96 105.19 106.09 3h1i n GLY 387 Ca 0.05 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.33 3h1i n GLY 387 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3h1i n ARG 388 N 0.00 3.13 -4.68 1.61 0.00 -1.26 -4.57 116.66 110.89 3h1i n ARG 388 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 57.85 57.52 3h1i n ARG 388 Cb 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 32.46 32.30 3h1i n ARG 388 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 3h1i s ARG 389 N 3.05 3.15 -0.44 2.89 6.06 -1.26 -2.14 118.95 130.25 3h1i s ARG 389 Ca 0.00 -0.79 -0.16 0.00 -2.50 0.00 0.00 55.73 52.27 3h1i s ARG 389 Cb 0.00 -2.53 0.04 0.00 0.06 0.00 0.00 34.95 32.52 3h1i s ARG 389 CO 0.00 0.04 0.41 0.42 -2.50 0.00 0.00 175.30 173.67 3h1i s ILE 390 N 0.72 5.15 0.75 4.11 1.01 -1.26 -5.04 121.20 126.64 3h1i s ILE 390 Ca -0.08 -0.65 -0.11 0.00 0.00 0.00 0.00 60.65 59.81 3h1i s ILE 390 Cb -0.16 -4.07 0.04 0.00 0.01 0.00 0.00 42.46 38.29 3h1i s ILE 390 CO 0.01 -0.48 1.09 -0.94 0.00 0.00 0.00 174.94 174.62 3h1i s SER 391 N 2.10 4.68 0.26 3.58 1.04 -1.26 -4.81 113.70 119.29 3h1i s SER 391 Ca 0.08 1.83 -0.02 0.00 0.48 0.00 0.00 55.95 58.32 3h1i s SER 391 Cb -0.20 -2.52 0.32 0.00 0.10 0.00 0.00 66.02 63.72 3h1i s SER 391 CO 0.11 -1.91 1.76 -0.07 0.98 0.00 0.00 173.24 174.10 3h1i h LEU 392 N -0.90 0.79 -0.76 2.42 3.38 -1.97 -0.08 115.31 118.19 3h1i h LEU 392 Ca -0.44 -0.18 0.09 0.00 0.09 0.00 0.00 57.88 57.44 3h1i h LEU 392 Cb 1.23 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 41.70 3h1i h LEU 392 CO 0.52 0.84 0.41 -0.08 0.09 0.00 0.00 178.44 180.22 3h1i h GLU 393 N 0.78 0.69 0.28 1.13 4.81 -1.93 0.04 114.58 120.38 3h1i h GLU 393 Ca 0.15 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 3h1i h GLU 393 Cb 0.43 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.65 3h1i h GLU 393 CO 0.02 0.46 -0.13 1.49 -0.73 0.00 0.00 179.01 180.11 3h1i h GLU 394 N 0.71 -0.36 -0.72 1.92 4.81 -1.65 -2.84 114.58 116.45 3h1i h GLU 394 Ca 0.36 0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.72 3h1i h GLU 394 Cb 0.34 0.08 -0.11 0.00 0.63 0.00 0.00 28.75 29.69 3h1i h GLU 394 CO -0.24 -0.24 -0.32 0.91 -0.73 0.00 0.00 179.01 178.39 3h1i n TRP 395 N -3.29 -0.06 -0.25 0.92 5.03 -0.15 0.46 117.44 120.10 3h1i n TRP 395 Ca -0.05 0.90 0.06 0.00 3.03 0.00 0.00 57.50 61.44 3h1i n TRP 395 Cb 0.15 -0.72 0.19 0.00 -1.03 0.00 0.00 31.31 29.90 3h1i n TRP 395 CO 0.00 0.00 0.00 0.22 -0.03 0.00 0.00 177.69 177.88 3h1i h ASP 396 N 0.00 0.06 0.56 -0.99 1.82 -0.95 -1.57 116.42 115.35 3h1i h ASP 396 Ca 0.22 0.14 -0.02 0.00 -0.39 0.00 0.00 57.03 56.98 3h1i h ASP 396 Cb 0.40 0.18 -0.02 0.00 0.68 0.00 0.00 39.33 40.57 3h1i h ASP 396 CO -0.71 -0.02 -0.46 -1.28 -1.61 0.00 0.00 179.24 175.16 3h1i h SER 397 N 0.29 -1.22 -1.49 2.28 0.87 0.25 0.03 113.55 114.57 3h1i h SER 397 Ca 0.42 0.09 0.43 0.00 -1.23 0.00 0.00 61.79 61.50 3h1i h SER 397 Cb 0.72 0.39 -0.06 0.00 -0.44 0.00 0.00 62.40 63.00 3h1i h SER 397 CO -0.50 -0.65 1.07 0.03 -0.53 0.00 0.00 176.83 176.25 3h1i h ARG 398 N -1.00 0.01 0.07 2.24 3.08 -1.03 -0.06 114.38 117.69 3h1i h ARG 398 Ca -0.07 -0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.79 3h1i h ARG 398 Cb 0.85 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.89 3h1i h ARG 398 CO -0.01 0.01 -0.95 0.82 -1.07 0.00 0.00 179.97 178.77 3h1i h ILE 399 N 0.01 1.27 0.00 2.04 2.04 -0.64 -3.26 117.51 118.97 3h1i h ILE 399 Ca 0.72 -2.37 0.00 0.00 1.00 0.00 0.00 64.86 64.21 3h1i h ILE 399 Cb 2.84 2.86 0.00 0.00 -0.74 0.00 0.00 36.82 41.78 3h1i h ILE 399 CO -0.03 0.61 0.00 0.28 0.00 0.00 0.00 178.15 179.01 3h1i h SER 400 N -0.61 0.00 0.46 1.72 0.02 0.77 -2.49 113.55 113.42 3h1i h SER 400 Ca -0.21 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.71 3h1i h SER 400 Cb 1.48 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.02 3h1i h SER 400 CO 0.01 0.00 -0.22 0.00 -1.14 0.00 0.00 176.83 175.48 3h1i h ALA 401 N 2.01 -0.69 -1.39 3.77 0.00 -1.25 -3.46 119.26 118.25 3h1i h ALA 401 Ca 0.00 -0.14 -0.70 0.00 0.00 0.00 0.00 54.91 54.08 3h1i h ALA 401 Cb 0.03 0.24 0.07 0.00 0.00 0.00 0.00 17.79 18.13 3h1i h ALA 401 CO 0.00 -0.65 0.07 0.28 0.00 0.00 0.00 179.25 178.96 3h1i n VAL 402 N -4.81 0.78 -4.21 0.00 0.31 -0.94 -5.00 118.33 104.46 3h1i n VAL 402 Ca -0.08 -0.19 -0.15 0.00 -0.01 0.00 0.00 64.34 63.91 3h1i n VAL 402 Cb 0.24 -0.44 -0.06 0.00 -0.91 0.00 0.00 33.84 32.68 3h1i n VAL 402 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 3h1i n ASP 403 N 1.89 -0.61 0.00 4.52 5.75 -1.26 -4.97 116.55 121.87 3h1i n ASP 403 Ca 0.17 -2.73 0.00 0.00 -0.01 0.00 0.00 54.79 52.22 3h1i n ASP 403 Cb 0.19 1.40 0.00 0.00 -1.03 0.00 0.00 41.12 41.68 3h1i n ASP 403 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3h1i n ALA 404 N -1.17 0.00 -0.05 2.12 0.00 -1.26 -2.10 120.51 118.05 3h1i n ALA 404 Ca -0.09 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.34 3h1i n ALA 404 Cb 0.48 0.12 0.00 0.00 0.00 0.00 0.00 19.45 20.06 3h1i n ALA 404 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3h1i n ARG 405 N -0.60 -0.03 0.22 0.00 3.00 -1.26 0.11 116.66 118.09 3h1i n ARG 405 Ca 0.00 0.19 -0.15 0.00 -0.00 0.00 0.00 57.85 57.89 3h1i n ARG 405 Cb 0.00 -0.28 -0.08 0.00 0.00 0.00 0.00 32.46 32.10 3h1i n ARG 405 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.63 179.61 3h1i h MET 406 N 0.00 -0.77 -0.65 -0.14 4.05 -1.90 -0.51 114.93 115.01 3h1i h MET 406 Ca 0.04 0.05 0.11 0.00 -0.28 0.00 0.00 59.70 59.62 3h1i h MET 406 Cb 0.07 0.17 -0.12 0.00 -0.80 0.00 0.00 31.60 30.92 3h1i h MET 406 CO -0.12 -0.51 -0.33 0.28 0.23 0.00 0.00 176.91 176.46 3h1i h VAL 407 N -0.80 0.16 0.00 -5.77 2.07 0.13 0.29 116.25 112.33 3h1i h VAL 407 Ca -0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.48 3h1i h VAL 407 Cb 0.71 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 3h1i h VAL 407 CO -0.09 0.00 -0.09 0.03 0.02 0.00 0.00 177.57 177.45 3h1i h ARG 408 N -0.13 -0.11 -0.77 1.57 3.08 -1.06 0.13 114.38 117.08 3h1i h ARG 408 Ca 0.25 0.01 0.15 0.00 0.07 0.00 0.00 59.98 60.46 3h1i h ARG 408 Cb 0.56 0.02 -0.14 0.00 0.08 0.00 0.00 29.97 30.48 3h1i h ARG 408 CO -0.72 -0.07 -0.23 -0.44 -1.07 0.00 0.00 179.97 177.44 3h1i h ASP 409 N -0.11 -0.84 -0.03 7.04 3.32 -0.22 0.16 116.42 125.74 3h1i h ASP 409 Ca 0.00 0.24 -0.00 0.00 0.02 0.00 0.00 57.03 57.29 3h1i h ASP 409 Cb 0.12 0.52 -0.00 0.00 0.22 0.00 0.00 39.33 40.18 3h1i h ASP 409 CO -0.06 -0.27 0.02 0.58 -1.72 0.00 0.00 179.24 177.80 3h1i h VAL 410 N -0.03 1.06 -0.44 -1.35 2.07 -0.07 0.79 116.25 118.28 3h1i h VAL 410 Ca 0.35 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 67.68 3h1i h VAL 410 Cb 0.57 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 3h1i h VAL 410 CO -0.80 0.05 0.11 0.00 0.02 0.00 0.00 177.57 176.95 3h1i h SER 412 N 0.57 -0.70 -0.99 0.00 0.02 -0.55 1.61 113.55 113.51 3h1i h SER 412 Ca 0.14 0.07 0.21 0.00 -0.84 0.00 0.00 61.79 61.37 3h1i h SER 412 Cb 0.31 0.26 -0.19 0.00 0.14 0.00 0.00 62.40 62.92 3h1i h SER 412 CO 0.00 -0.35 -0.22 0.50 -1.14 0.00 0.00 176.83 175.62 3h1i h LYS 413 N -0.49 0.00 0.00 3.45 3.64 0.12 -2.42 116.57 120.87 3h1i h LYS 413 Ca 0.01 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3h1i h LYS 413 Cb 0.49 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 3h1i h LYS 413 CO -0.11 0.00 -1.34 0.66 -2.27 0.00 0.00 179.45 176.39 3h1i n TYR 414 N -5.61 0.00 -0.06 1.91 4.02 -0.57 -4.75 117.16 112.10 3h1i n TYR 414 Ca 0.17 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.98 3h1i n TYR 414 Cb 0.53 -0.21 -0.07 0.00 -0.02 0.00 0.00 39.34 39.56 3h1i n TYR 414 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 3h1i n ILE 415 N -1.78 0.78 -1.84 -0.72 5.41 0.54 -4.73 119.36 117.01 3h1i n ILE 415 Ca 0.00 -0.36 -0.42 0.00 1.00 0.00 0.00 62.75 62.97 3h1i n ILE 415 Cb 0.38 -0.89 -0.03 0.00 -0.71 0.00 0.00 39.64 38.39 3h1i n ILE 415 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 176.55 176.08 3h1i s TYR 416 N -2.27 2.16 -1.29 1.39 5.04 -0.93 -3.15 117.35 118.30 3h1i s TYR 416 Ca -0.14 0.11 -0.06 0.00 -2.44 0.00 0.00 57.07 54.54 3h1i s TYR 416 Cb 0.04 -4.06 0.04 0.00 0.35 0.00 0.00 41.96 38.34 3h1i s TYR 416 CO 0.36 -4.37 0.40 -3.47 -1.34 0.00 0.00 175.55 167.14 3h1i n ASP 417 N 6.00 -4.21 -4.89 4.32 4.64 -0.86 -4.96 116.55 116.58 3h1i n ASP 417 Ca 0.17 -0.24 -0.32 0.00 -1.38 0.00 0.00 54.79 53.02 3h1i n ASP 417 Cb 0.40 -3.48 -0.05 0.00 -1.04 0.00 0.00 41.12 36.95 3h1i n ASP 417 CO 0.00 0.00 0.00 -0.54 -0.82 0.00 0.00 177.20 175.84 3h1i s LYS 418 N -5.74 3.34 -0.16 -0.67 -0.14 -1.19 -5.05 119.74 110.14 3h1i s LYS 418 Ca 0.29 -0.44 -0.29 0.00 -1.36 0.00 0.00 55.97 54.17 3h1i s LYS 418 Cb -0.15 -3.00 -0.00 0.00 -1.68 0.00 0.00 37.83 32.99 3h1i s LYS 418 CO 0.36 0.63 1.06 0.00 -0.76 0.00 0.00 175.35 176.63 3h1i s PRO 420 N 2.68 2.24 -0.14 0.00 0.04 -1.26 -4.30 135.00 134.26 3h1i s PRO 420 Ca 0.47 -1.42 -0.05 0.00 0.04 0.00 0.00 61.00 60.05 3h1i s PRO 420 Cb -0.18 -2.58 -0.03 0.00 0.04 0.00 0.00 34.50 31.75 3h1i s PRO 420 CO 0.13 -0.91 0.02 0.00 0.04 0.00 0.00 177.00 176.27 3h1i s ALA 421 N -2.74 3.27 -0.03 8.56 0.00 0.76 -1.11 121.76 130.46 3h1i s ALA 421 Ca 0.62 -0.78 0.06 0.00 0.00 0.00 0.00 51.96 51.86 3h1i s ALA 421 Cb -0.06 -1.67 -0.01 0.00 0.00 0.00 0.00 23.12 21.37 3h1i s ALA 421 CO 0.39 0.34 -0.22 -1.17 0.00 0.00 0.00 175.76 175.10 3h1i s LEU 422 N -0.08 2.02 -0.14 0.00 2.96 0.90 -1.04 118.68 123.29 3h1i s LEU 422 Ca 0.04 -0.42 -0.01 0.00 -0.22 0.00 0.00 54.13 53.52 3h1i s LEU 422 Cb -0.13 -1.17 0.04 0.00 0.50 0.00 0.00 46.19 45.43 3h1i s LEU 422 CO 0.02 0.24 -0.04 0.00 -1.32 0.00 0.00 176.35 175.24 3h1i s ALA 423 N -0.30 1.30 -0.04 5.97 0.00 0.11 -1.66 121.76 127.15 3h1i s ALA 423 Ca 0.02 -0.66 0.05 0.00 0.00 0.00 0.00 51.96 51.37 3h1i s ALA 423 Cb -0.11 -1.03 -0.01 0.00 0.00 0.00 0.00 23.12 21.97 3h1i s ALA 423 CO 0.01 -0.70 -0.19 0.00 0.00 0.00 0.00 175.76 174.88 3h1i s ALA 424 N 1.71 1.66 -0.08 0.00 0.00 -0.74 -0.63 121.76 123.68 3h1i s ALA 424 Ca 0.02 -0.79 -0.06 0.00 0.00 0.00 0.00 51.96 51.14 3h1i s ALA 424 Cb -0.14 -0.52 0.03 0.00 0.00 0.00 0.00 23.12 22.49 3h1i s ALA 424 CO -0.08 0.33 0.20 0.08 0.00 0.00 0.00 175.76 176.30 3h1i s VAL 425 N -0.10 -0.02 0.00 0.00 1.01 -0.67 -0.31 120.40 120.31 3h1i s VAL 425 Ca -0.02 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.05 3h1i s VAL 425 Cb -0.11 -0.31 0.00 0.00 0.00 0.00 0.00 36.38 35.96 3h1i s VAL 425 CO 0.02 0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.76 3h1i n GLY 426 N 3.61 0.02 2.54 4.51 0.00 -0.83 0.12 105.19 115.16 3h1i n GLY 426 Ca -0.19 -1.98 -0.40 0.00 0.00 0.00 0.00 46.02 43.44 3h1i n GLY 426 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3h1i n PRO 427 N 0.00 4.01 -0.01 1.61 -0.04 -1.10 -0.42 135.00 139.06 3h1i n PRO 427 Ca 0.00 -3.08 0.00 0.00 -0.04 0.00 0.00 63.50 60.39 3h1i n PRO 427 Cb 0.00 -2.80 0.01 0.00 -0.04 0.00 0.00 33.50 30.67 3h1i n PRO 427 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 3h1i n ILE 428 N 2.83 0.03 -0.29 0.52 -5.35 -1.26 -4.54 119.36 111.30 3h1i n ILE 428 Ca 0.61 -0.02 0.04 0.00 -0.27 0.00 0.00 62.75 63.11 3h1i n ILE 428 Cb 0.28 -0.08 0.12 0.00 -1.74 0.00 0.00 39.64 38.22 3h1i n ILE 428 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 3h1i h GLU 429 N 0.08 0.02 -0.87 6.28 4.81 -1.87 -2.28 114.58 120.75 3h1i h GLU 429 Ca 0.00 -0.00 0.14 0.00 -0.13 0.00 0.00 59.36 59.37 3h1i h GLU 429 Cb 0.12 -0.00 -0.09 0.00 0.63 0.00 0.00 28.75 29.40 3h1i h GLU 429 CO 0.00 0.01 0.47 0.37 -0.73 0.00 0.00 179.01 179.13 3h1i h GLN 430 N 0.02 0.67 -6.02 1.92 4.15 -1.80 -3.40 115.11 110.64 3h1i h GLN 430 Ca 0.41 -0.04 -0.57 0.00 0.77 0.00 0.00 58.65 59.22 3h1i h GLN 430 Cb 0.66 -0.15 -0.06 0.00 0.21 0.00 0.00 27.48 28.14 3h1i h GLN 430 CO -0.82 0.44 0.34 -1.17 -1.93 0.00 0.00 178.83 175.69 3h1i s LEU 431 N -10.33 4.23 0.20 -2.39 0.20 -0.86 -4.70 118.68 105.02 3h1i s LEU 431 Ca -0.12 1.24 -0.09 0.00 0.69 0.00 0.00 54.13 55.85 3h1i s LEU 431 Cb 0.22 -3.25 -0.01 0.00 -0.43 0.00 0.00 46.19 42.71 3h1i s LEU 431 CO 0.78 -0.33 0.32 -0.22 -0.29 0.00 0.00 176.35 176.61 3h1i s LEU 432 N 1.77 0.78 0.11 -0.68 0.20 -1.26 -5.01 118.68 114.59 3h1i s LEU 432 Ca 0.40 -0.96 0.00 0.00 0.69 0.00 0.00 54.13 54.25 3h1i s LEU 432 Cb -0.17 1.25 0.00 0.00 -0.43 0.00 0.00 46.19 46.84 3h1i s LEU 432 CO 0.15 -0.96 0.00 -0.67 -0.29 0.00 0.00 176.35 174.58 3h1i n ASP 433 N -0.28 -7.43 -0.28 3.68 4.64 -1.26 -4.45 116.55 111.17 3h1i n ASP 433 Ca -0.04 1.48 -0.04 0.00 -1.38 0.00 0.00 54.79 54.81 3h1i n ASP 433 Cb 0.63 -4.46 0.07 0.00 -1.04 0.00 0.00 41.12 36.32 3h1i n ASP 433 CO 0.00 0.00 0.00 0.22 -0.82 0.00 0.00 177.20 176.60 3h1i h TYR 434 N 4.22 0.98 -0.70 -0.67 3.20 -1.98 -1.20 116.97 120.83 3h1i h TYR 434 Ca 0.00 0.02 0.15 0.00 3.14 0.00 0.00 58.73 62.04 3h1i h TYR 434 Cb 0.00 -0.33 -0.13 0.00 1.54 0.00 0.00 36.73 37.81 3h1i h TYR 434 CO 0.00 0.62 -0.12 -0.91 -1.64 0.00 0.00 178.16 176.11 3h1i h ASN 435 N 1.06 -0.54 -0.29 -2.11 2.35 -1.98 1.98 115.58 116.04 3h1i h ASN 435 Ca 0.29 0.20 -0.06 0.00 -0.55 0.00 0.00 56.30 56.18 3h1i h ASN 435 Cb -0.12 0.40 -0.01 0.00 0.05 0.00 0.00 38.32 38.64 3h1i h ASN 435 CO -0.06 -0.21 -0.05 0.03 -1.65 0.00 0.00 177.43 175.49 3h1i h ARG 436 N 0.03 0.55 -0.68 0.81 2.47 -1.65 -0.46 114.38 115.45 3h1i h ARG 436 Ca 0.35 -0.20 0.00 0.00 -1.26 0.00 0.00 59.98 58.88 3h1i h ARG 436 Cb 0.57 -0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 28.82 3h1i h ARG 436 CO -0.69 0.73 0.44 0.82 0.56 0.00 0.00 179.97 181.84 3h1i h ILE 437 N 0.32 1.18 0.18 2.04 2.04 0.48 -2.34 117.51 121.41 3h1i h ILE 437 Ca 0.08 -0.34 0.01 0.00 1.00 0.00 0.00 64.86 65.61 3h1i h ILE 437 Cb 0.51 0.19 -0.03 0.00 -0.74 0.00 0.00 36.82 36.75 3h1i h ILE 437 CO 0.02 0.18 -0.29 -0.09 0.00 0.00 0.00 178.15 177.97 3h1i h ARG 438 N 0.92 -0.53 -0.45 2.37 9.65 0.32 0.06 114.38 126.73 3h1i h ARG 438 Ca 0.25 0.04 0.13 0.00 -1.10 0.00 0.00 59.98 59.29 3h1i h ARG 438 Cb -0.09 0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 28.59 3h1i h ARG 438 CO -0.05 -0.35 0.59 0.77 2.80 0.00 0.00 179.97 183.72 3h1i h SER 439 N -0.55 0.00 0.00 -3.80 0.02 -0.61 0.41 113.55 109.02 3h1i h SER 439 Ca 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 3h1i h SER 439 Cb 0.55 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.09 3h1i h SER 439 CO -0.13 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.17 3h1i n GLY 440 N -1.49 0.32 0.99 -3.77 0.00 0.01 -3.34 105.19 97.91 3h1i n GLY 440 Ca 0.09 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.21 3h1i n GLY 440 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3h1i n MET 441 N -0.21 2.26 -3.73 1.61 2.00 0.14 -4.74 117.12 114.45 3h1i n MET 441 Ca 0.00 -2.06 -0.14 0.00 0.00 0.00 0.00 57.70 55.50 3h1i n MET 441 Cb 0.13 -1.45 -0.09 0.00 0.00 0.00 0.00 33.22 31.81 3h1i n MET 441 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 175.97 177.49 3h1i s TYR 442 N -1.50 -0.29 0.00 2.03 -0.85 -1.21 -2.03 117.35 113.49 3h1i s TYR 442 Ca 0.32 0.55 0.00 0.00 -0.52 0.00 0.00 57.07 57.42 3h1i s TYR 442 Cb 0.20 0.14 0.00 0.00 0.38 0.00 0.00 41.96 42.68 3h1i s TYR 442 CO 0.28 -0.36 0.00 1.87 -1.52 0.00 0.00 175.55 175.82 3h1i n TRP 443 N 1.65 0.00 -0.72 -3.49 -0.00 -1.26 -5.07 117.44 108.55 3h1i n TRP 443 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.31 3h1i n TRP 443 Cb 0.56 -1.40 0.00 0.00 -0.00 0.00 0.00 31.31 30.47 3h1i n TRP 443 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 177.69 176.80