#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h2i s ALA 3 N 0.00 3.08 0.19 3.55 0.00 -1.26 -4.90 121.76 122.41 3h2i s ALA 3 Ca 0.00 1.21 -0.33 0.00 0.00 0.00 0.00 51.96 52.84 3h2i s ALA 3 Cb 0.00 -3.49 -0.14 0.00 0.00 0.00 0.00 23.12 19.49 3h2i s ALA 3 CO 0.00 -0.96 1.45 0.54 0.00 0.00 0.00 175.76 176.79 3h2i n ARG 4 N -0.34 1.92 -0.31 0.00 1.74 -1.26 -1.58 116.66 116.82 3h2i n ARG 4 Ca 0.06 0.69 0.00 0.00 -0.77 0.00 0.00 57.85 57.83 3h2i n ARG 4 Cb 0.45 -2.37 0.00 0.00 -1.02 0.00 0.00 32.46 29.51 3h2i n ARG 4 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3h2i n GLY 5 N 2.67 0.95 3.68 -0.13 0.00 0.67 -4.98 105.19 108.05 3h2i n GLY 5 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3h2i n GLY 5 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h2i s THR 6 N -2.78 2.89 -0.16 2.61 2.01 -0.62 -2.75 115.64 116.85 3h2i s THR 6 Ca 0.00 0.29 -0.29 0.00 0.31 0.00 0.00 61.69 62.00 3h2i s THR 6 Cb 0.00 -3.19 -0.03 0.00 0.01 0.00 0.00 72.50 69.29 3h2i s THR 6 CO 0.00 -0.01 1.48 -0.22 -0.69 0.00 0.00 174.62 175.18 3h2i s LEU 7 N 2.97 4.12 -0.19 4.42 2.96 -1.26 -1.46 118.68 130.24 3h2i s LEU 7 Ca 0.78 1.79 -0.20 0.00 -0.22 0.00 0.00 54.13 56.28 3h2i s LEU 7 Cb -0.42 -3.54 -0.17 0.00 0.50 0.00 0.00 46.19 42.57 3h2i s LEU 7 CO 0.35 -0.97 0.17 -0.07 -1.32 0.00 0.00 176.35 174.51 3h2i h LEU 8 N 10.50 0.00 -8.06 -0.68 3.38 -1.54 -3.49 115.31 115.42 3h2i h LEU 8 Ca -0.32 -0.44 -0.12 0.00 0.09 0.00 0.00 57.88 57.09 3h2i h LEU 8 Cb 1.14 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.73 3h2i h LEU 8 CO 0.98 1.33 -0.58 0.42 0.09 0.00 0.00 178.44 180.68 3h2i s THR 9 N -2.32 0.18 0.03 0.22 -4.23 -1.13 -4.97 115.64 103.41 3h2i s THR 9 Ca -0.26 -1.47 -0.12 0.00 -1.18 0.00 0.00 61.69 58.67 3h2i s THR 9 Cb 0.05 -1.27 0.01 0.00 1.34 0.00 0.00 72.50 72.63 3h2i s THR 9 CO 0.53 -0.81 0.24 -0.94 -0.54 0.00 0.00 174.62 173.10 3h2i s SER 10 N -2.65 -0.06 -0.28 3.99 1.04 -1.26 -1.62 113.70 112.86 3h2i s SER 10 Ca 0.03 -0.21 -0.22 0.00 0.48 0.00 0.00 55.95 56.03 3h2i s SER 10 Cb 0.04 0.30 0.13 0.00 0.10 0.00 0.00 66.02 66.60 3h2i s SER 10 CO -0.09 -0.53 1.02 0.21 0.98 0.00 0.00 173.24 174.83 3h2i s ASN 11 N -1.85 -0.47 0.27 7.02 2.47 0.22 -4.96 114.94 117.65 3h2i s ASN 11 Ca -0.08 0.84 -0.27 0.00 0.42 0.00 0.00 52.86 53.77 3h2i s ASN 11 Cb -0.03 0.97 -0.09 0.00 -1.45 0.00 0.00 41.25 40.66 3h2i s ASN 11 CO -0.01 -0.14 0.92 -0.36 -3.72 0.00 0.00 177.10 173.78 3h2i s PHE 12 N 0.63 3.82 -0.17 0.43 0.40 -1.26 -0.14 117.98 121.69 3h2i s PHE 12 Ca -0.01 1.80 -0.10 0.00 -0.60 0.00 0.00 56.93 58.03 3h2i s PHE 12 Cb -0.05 -2.92 -0.07 0.00 0.51 0.00 0.00 43.02 40.50 3h2i s PHE 12 CO -0.10 0.34 -0.23 1.28 0.70 0.00 0.00 175.22 177.21 3h2i n LEU 13 N 1.01 1.35 0.00 -0.37 4.77 0.80 -4.90 117.00 119.66 3h2i n LEU 13 Ca -0.00 0.23 -0.04 0.00 -0.03 0.00 0.00 56.01 56.17 3h2i n LEU 13 Cb 0.49 -0.55 0.01 0.00 -2.33 0.00 0.00 43.42 41.04 3h2i n LEU 13 CO 0.47 0.25 0.34 1.07 -1.33 0.00 0.00 177.39 178.18 3h2i n THR 14 N -3.87 0.00 -3.89 -5.08 5.66 -1.13 -5.03 114.28 100.94 3h2i n THR 14 Ca -0.32 -0.46 -0.10 0.00 -3.05 0.00 0.00 64.05 60.13 3h2i n THR 14 Cb 0.69 0.50 -0.09 0.00 -1.55 0.00 0.00 70.33 69.88 3h2i n THR 14 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 3h2i s SER 15 N -2.18 0.13 -0.04 1.09 0.15 -1.26 -0.98 113.70 110.60 3h2i s SER 15 Ca 0.10 -0.52 -0.02 0.00 0.70 0.00 0.00 55.95 56.21 3h2i s SER 15 Cb -0.02 0.27 0.03 0.00 -1.71 0.00 0.00 66.02 64.59 3h2i s SER 15 CO 0.05 -0.58 0.06 -0.31 1.20 0.00 0.00 173.24 173.66 3h2i s TYR 16 N -2.92 0.07 0.73 3.44 1.51 0.05 -4.99 117.35 115.24 3h2i s TYR 16 Ca -0.02 0.24 -0.13 0.00 -1.01 0.00 0.00 57.07 56.15 3h2i s TYR 16 Cb 0.01 -0.46 0.04 0.00 -0.11 0.00 0.00 41.96 41.44 3h2i s TYR 16 CO -0.06 -0.18 1.11 0.95 -1.11 0.00 0.00 175.55 176.27 3h2i s THR 17 N 2.04 3.09 0.23 -0.71 -4.23 -1.26 -0.17 115.64 114.63 3h2i s THR 17 Ca 0.03 0.43 -0.06 0.00 -1.18 0.00 0.00 61.69 60.92 3h2i s THR 17 Cb -0.12 -2.90 0.19 0.00 1.34 0.00 0.00 72.50 71.01 3h2i s THR 17 CO -0.03 -0.38 1.81 -0.09 -0.54 0.00 0.00 174.62 175.39 3h2i h ARG 18 N -0.63 0.75 -0.63 3.99 2.43 -1.92 -1.84 114.38 116.53 3h2i h ARG 18 Ca -0.45 -0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 58.59 3h2i h ARG 18 Cb 1.25 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 30.60 3h2i h ARG 18 CO 0.51 0.50 0.08 -0.44 -1.51 0.00 0.00 179.97 179.11 3h2i h ASP 19 N 0.77 1.01 -0.30 -3.80 3.32 -1.91 -0.69 116.42 114.82 3h2i h ASP 19 Ca 0.37 -0.24 0.00 0.00 0.02 0.00 0.00 57.03 57.18 3h2i h ASP 19 Cb 0.30 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 3h2i h ASP 19 CO -0.22 1.01 0.19 0.00 -1.72 0.00 0.00 179.24 178.50 3h2i h ALA 20 N 1.10 0.37 -0.38 3.45 0.00 -1.72 0.16 119.26 122.25 3h2i h ALA 20 Ca 0.19 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3h2i h ALA 20 Cb 0.45 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3h2i h ALA 20 CO 0.02 -0.17 0.18 0.82 0.00 0.00 0.00 179.25 180.10 3h2i h ILE 21 N 0.39 1.17 -0.36 0.00 2.04 -1.15 -0.81 117.51 118.80 3h2i h ILE 21 Ca 0.11 -0.51 -0.01 0.00 1.00 0.00 0.00 64.86 65.45 3h2i h ILE 21 Cb -0.04 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 3h2i h ILE 21 CO -0.03 0.19 0.17 0.28 0.00 0.00 0.00 178.15 178.76 3h2i h SER 22 N 0.48 0.44 -0.42 1.72 0.02 -0.76 -0.36 113.55 114.66 3h2i h SER 22 Ca 0.13 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.03 3h2i h SER 22 Cb 0.13 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 3h2i h SER 22 CO -0.02 0.38 0.18 0.00 -1.14 0.00 0.00 176.83 176.23 3h2i h ALA 23 N 1.69 0.54 -0.33 3.77 0.00 0.13 -1.69 119.26 123.37 3h2i h ALA 23 Ca 0.13 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.94 3h2i h ALA 23 Cb 0.05 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3h2i h ALA 23 CO -0.02 0.13 0.13 0.52 0.00 0.00 0.00 179.25 180.02 3h2i h MET 24 N 0.53 0.28 -0.16 0.00 2.07 0.20 -1.53 114.93 116.33 3h2i h MET 24 Ca 0.14 -0.02 0.02 0.00 -2.07 0.00 0.00 59.70 57.78 3h2i h MET 24 Cb 0.17 -0.06 -0.01 0.00 -1.87 0.00 0.00 31.60 29.83 3h2i h MET 24 CO -0.01 0.18 0.11 -0.07 1.07 0.00 0.00 176.91 178.19 3h2i h LEU 25 N 0.28 0.09 0.49 1.22 3.38 -0.80 -2.66 115.31 117.32 3h2i h LEU 25 Ca 0.15 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3h2i h LEU 25 Cb 0.10 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 3h2i h LEU 25 CO -0.14 0.06 -0.48 0.00 0.09 0.00 0.00 178.44 177.98 3h2i h ALA 26 N 1.91 -1.14 0.00 1.53 0.00 -0.34 -3.46 119.26 117.77 3h2i h ALA 26 Ca 0.07 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3h2i h ALA 26 Cb 0.13 0.71 0.00 0.00 0.00 0.00 0.00 17.79 18.63 3h2i h ALA 26 CO -0.01 -1.17 0.00 -1.13 0.00 0.00 0.00 179.25 176.94 3h2i n SER 27 N -5.35 0.00 -3.25 0.00 3.41 -1.01 -5.10 113.62 102.32 3h2i n SER 27 Ca -0.11 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.37 3h2i n SER 27 Cb 0.44 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.34 3h2i n SER 27 CO 0.00 0.00 0.00 -2.84 -0.16 0.00 0.00 175.04 172.04 3h2i s PRO 37 N 0.00 0.77 0.42 4.33 0.02 -1.26 -5.16 135.00 134.12 3h2i s PRO 37 Ca 0.00 -0.92 -0.26 0.00 0.02 0.00 0.00 61.00 59.84 3h2i s PRO 37 Cb 0.00 -0.54 -0.09 0.00 0.02 0.00 0.00 34.50 33.89 3h2i s PRO 37 CO 0.00 -1.24 1.39 -2.00 -0.33 0.00 0.00 177.00 174.82 3h2i s GLU 38 N 1.26 3.89 -0.05 5.54 2.12 -1.26 -5.04 118.70 125.17 3h2i s GLU 38 Ca 0.21 2.35 0.06 0.00 0.36 0.00 0.00 54.97 57.94 3h2i s GLU 38 Cb -0.09 -2.77 -0.01 0.00 0.26 0.00 0.00 34.13 31.52 3h2i s GLU 38 CO -0.06 -0.63 -0.24 -0.65 -0.54 0.00 0.00 175.26 173.15 3h2i s GLN 39 N -2.28 2.49 0.68 4.30 -0.21 -1.26 -4.71 119.66 118.66 3h2i s GLN 39 Ca 0.57 -0.89 -0.16 0.00 0.02 0.00 0.00 55.36 54.90 3h2i s GLN 39 Cb -0.42 -2.17 0.01 0.00 1.00 0.00 0.00 33.01 31.43 3h2i s GLN 39 CO 0.55 0.43 1.22 0.00 -2.12 0.00 0.00 175.29 175.37 3h2i s ALA 40 N -0.28 2.29 -0.02 6.09 0.00 -1.26 -4.93 121.76 123.64 3h2i s ALA 40 Ca 0.00 0.96 0.05 0.00 0.00 0.00 0.00 51.96 52.96 3h2i s ALA 40 Cb -0.13 -3.47 -0.07 0.00 0.00 0.00 0.00 23.12 19.45 3h2i s ALA 40 CO 0.03 -1.62 0.07 1.17 0.00 0.00 0.00 175.76 175.41 3h2i n LYS 41 N -2.27 1.39 -4.33 0.00 4.81 0.04 -4.91 118.16 112.89 3h2i n LYS 41 Ca 0.14 -0.03 -0.25 0.00 -0.87 0.00 0.00 58.31 57.30 3h2i n LYS 41 Cb 0.50 -1.12 -0.12 0.00 0.02 0.00 0.00 35.03 34.31 3h2i n LYS 41 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3h2i s ASN 43 N -2.22 6.40 -0.10 0.00 0.01 0.14 -4.15 114.94 115.03 3h2i s ASN 43 Ca 0.12 1.50 -0.00 0.00 -0.71 0.00 0.00 52.86 53.77 3h2i s ASN 43 Cb -0.09 -2.49 0.02 0.00 0.41 0.00 0.00 41.25 39.11 3h2i s ASN 43 CO 0.06 -0.74 -0.07 -0.69 -1.51 0.00 0.00 177.10 174.14 3h2i s VAL 44 N -2.89 0.96 -0.13 1.60 1.01 0.76 -1.40 120.40 120.32 3h2i s VAL 44 Ca 0.57 -0.26 -0.12 0.00 0.00 0.00 0.00 61.98 62.17 3h2i s VAL 44 Cb -0.11 -0.98 -0.05 0.00 0.00 0.00 0.00 36.38 35.25 3h2i s VAL 44 CO 0.43 0.35 0.26 -0.13 0.00 0.00 0.00 175.10 176.00 3h2i s ARG 45 N 1.60 4.02 -0.26 2.72 1.81 0.86 -0.77 118.95 128.93 3h2i s ARG 45 Ca 0.02 0.05 -0.07 0.00 -1.72 0.00 0.00 55.73 54.02 3h2i s ARG 45 Cb -0.13 -3.34 -0.02 0.00 -0.45 0.00 0.00 34.95 31.01 3h2i s ARG 45 CO -0.06 0.43 0.06 0.08 -0.68 0.00 0.00 175.30 175.13 3h2i s VAL 46 N -0.11 4.14 0.23 3.52 1.01 -0.15 -0.69 120.40 128.34 3h2i s VAL 46 Ca 0.16 -0.33 0.10 0.00 0.00 0.00 0.00 61.98 61.91 3h2i s VAL 46 Cb -0.13 -2.98 -0.05 0.00 0.00 0.00 0.00 36.38 33.22 3h2i s VAL 46 CO 0.05 0.28 -0.19 0.00 0.00 0.00 0.00 175.10 175.24 3h2i s ALA 47 N 1.58 2.41 0.16 5.51 0.00 0.17 -0.14 121.76 131.45 3h2i s ALA 47 Ca 0.05 -1.73 0.06 0.00 0.00 0.00 0.00 51.96 50.34 3h2i s ALA 47 Cb -0.15 -0.21 -0.04 0.00 0.00 0.00 0.00 23.12 22.71 3h2i s ALA 47 CO 0.03 0.24 -0.12 -1.83 0.00 0.00 0.00 175.76 174.07 3h2i s GLU 48 N -3.33 1.16 0.09 0.00 -1.05 0.80 -1.11 118.70 115.26 3h2i s GLU 48 Ca 0.25 -1.47 -0.26 0.00 -0.15 0.00 0.00 54.97 53.33 3h2i s GLU 48 Cb -0.04 -0.85 0.08 0.00 -0.44 0.00 0.00 34.13 32.88 3h2i s GLU 48 CO 0.11 0.13 0.83 -0.59 0.95 0.00 0.00 175.26 176.69 3h2i s PHE 49 N -3.02 -0.33 0.15 4.83 -0.12 -0.91 -0.61 117.98 117.98 3h2i s PHE 49 Ca 0.18 0.12 0.07 0.00 -0.05 0.00 0.00 56.93 57.25 3h2i s PHE 49 Cb 0.00 0.58 -0.04 0.00 -0.63 0.00 0.00 43.02 42.93 3h2i s PHE 49 CO 0.03 -0.72 -0.15 0.95 -0.05 0.00 0.00 175.22 175.27 3h2i s THR 50 N -3.36 1.58 0.26 -4.49 -4.23 -0.64 -0.56 115.64 104.20 3h2i s THR 50 Ca 0.06 -1.90 -0.16 0.00 -1.18 0.00 0.00 61.69 58.51 3h2i s THR 50 Cb -0.01 -1.76 0.01 0.00 1.34 0.00 0.00 72.50 72.07 3h2i s THR 50 CO -0.06 -0.43 0.58 -0.72 -0.54 0.00 0.00 174.62 173.44 3h2i s TYR 51 N -2.32 0.17 0.03 3.99 1.13 0.20 -1.32 117.35 119.24 3h2i s TYR 51 Ca 0.14 -0.57 -0.13 0.00 -1.41 0.00 0.00 57.07 55.10 3h2i s TYR 51 Cb -0.04 0.39 -0.06 0.00 -1.10 0.00 0.00 41.96 41.15 3h2i s TYR 51 CO 0.05 -1.10 0.41 0.00 -2.51 0.00 0.00 175.55 172.39 3h2i s ALA 52 N -3.92 3.70 0.00 9.51 0.00 -0.53 -1.55 121.76 128.97 3h2i s ALA 52 Ca 0.18 -0.27 0.00 0.00 0.00 0.00 0.00 51.96 51.87 3h2i s ALA 52 Cb -0.03 -2.35 0.00 0.00 0.00 0.00 0.00 23.12 20.74 3h2i s ALA 52 CO 0.09 0.51 0.00 -2.37 0.00 0.00 0.00 175.76 173.98 3h2i n THR 53 N 1.48 0.00 -4.34 0.00 5.66 0.16 -0.24 114.28 117.00 3h2i n THR 53 Ca -0.12 0.00 -0.18 0.00 -3.05 0.00 0.00 64.05 60.70 3h2i n THR 53 Cb 0.52 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.20 3h2i n THR 53 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 175.07 172.29 3h2i s ILE 54 N -1.88 1.59 0.36 1.09 -4.36 -1.26 -1.05 121.20 115.69 3h2i s ILE 54 Ca 0.00 -2.17 -0.01 0.00 -0.26 0.00 0.00 60.65 58.22 3h2i s ILE 54 Cb 0.00 -2.08 0.07 0.00 1.25 0.00 0.00 42.46 41.70 3h2i s ILE 54 CO 0.00 -0.57 0.49 0.61 0.24 0.00 0.00 174.94 175.71 3h2i n GLY 55 N -0.38 0.52 0.13 6.27 0.00 0.11 -4.77 105.19 107.07 3h2i n GLY 55 Ca -0.08 -1.96 0.11 0.00 0.00 0.00 0.00 46.02 44.09 3h2i n GLY 55 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3h2i n VAL 56 N -2.16 0.94 0.42 1.61 0.24 -1.26 -1.43 118.33 116.69 3h2i n VAL 56 Ca 0.08 0.38 0.08 0.00 -2.04 0.00 0.00 64.34 62.84 3h2i n VAL 56 Cb 0.28 -1.32 0.12 0.00 -1.47 0.00 0.00 33.84 31.44 3h2i n VAL 56 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3h2i n GLU 57 N -2.17 1.74 -0.65 7.34 -0.58 -1.26 -4.95 120.64 120.11 3h2i n GLU 57 Ca 0.01 -1.73 0.00 0.00 -0.42 0.00 0.00 57.16 55.02 3h2i n GLU 57 Cb 0.16 -1.34 0.00 0.00 -0.57 0.00 0.00 31.44 29.69 3h2i n GLU 57 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3h2i n GLY 58 N 0.96 0.77 3.83 0.62 0.00 -0.51 -5.05 105.19 105.81 3h2i n GLY 58 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 3h2i n GLY 58 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3h2i s GLU 59 N -0.35 3.13 0.57 1.61 1.03 -1.26 -4.63 118.70 118.80 3h2i s GLU 59 Ca 0.00 0.95 -0.20 0.00 0.03 0.00 0.00 54.97 55.75 3h2i s GLU 59 Cb 0.00 -2.02 -0.04 0.00 -0.80 0.00 0.00 34.13 31.28 3h2i s GLU 59 CO 0.00 -0.95 1.29 -1.25 -1.33 0.00 0.00 175.26 173.02 3h2i s PRO 60 N -4.92 3.01 0.19 -4.83 0.04 -1.26 0.07 135.00 127.30 3h2i s PRO 60 Ca 0.58 2.05 -0.23 0.00 0.04 0.00 0.00 61.00 63.45 3h2i s PRO 60 Cb -0.14 -2.09 0.05 0.00 0.04 0.00 0.00 34.50 32.36 3h2i s PRO 60 CO 0.52 -1.23 0.71 0.00 0.04 0.00 0.00 177.00 177.03 3h2i s ALA 61 N -1.41 -1.47 0.35 8.56 0.00 -0.21 -4.57 121.76 123.00 3h2i s ALA 61 Ca 0.75 0.17 0.09 0.00 0.00 0.00 0.00 51.96 52.97 3h2i s ALA 61 Cb -0.36 0.81 -0.06 0.00 0.00 0.00 0.00 23.12 23.51 3h2i s ALA 61 CO 0.41 -0.90 0.00 0.95 0.00 0.00 0.00 175.76 176.22 3h2i s THR 62 N -3.72 2.51 0.21 0.00 -4.23 -1.26 0.35 115.64 109.50 3h2i s THR 62 Ca 0.06 -2.00 -0.23 0.00 -1.18 0.00 0.00 61.69 58.35 3h2i s THR 62 Cb -0.03 -2.79 0.05 0.00 1.34 0.00 0.00 72.50 71.07 3h2i s THR 62 CO -0.03 -0.18 0.71 0.00 -0.54 0.00 0.00 174.62 174.58 3h2i s ALA 63 N -2.55 -1.43 0.27 3.99 0.00 -0.60 -3.76 121.76 117.69 3h2i s ALA 63 Ca 0.35 0.08 0.08 0.00 0.00 0.00 0.00 51.96 52.47 3h2i s ALA 63 Cb 0.01 0.82 -0.05 0.00 0.00 0.00 0.00 23.12 23.89 3h2i s ALA 63 CO 0.19 -0.93 -0.11 -1.54 0.00 0.00 0.00 175.76 173.37 3h2i s SER 64 N -2.84 2.97 0.29 0.00 1.04 -1.26 -0.62 113.70 113.27 3h2i s SER 64 Ca 0.07 -1.11 -0.19 0.00 0.48 0.00 0.00 55.95 55.20 3h2i s SER 64 Cb -0.04 -0.20 0.02 0.00 0.10 0.00 0.00 66.02 65.90 3h2i s SER 64 CO -0.01 -0.21 0.68 -0.83 0.98 0.00 0.00 173.24 173.85 3h2i s GLY 65 N -3.44 0.08 0.03 7.32 0.00 0.27 -0.64 107.32 110.95 3h2i s GLY 65 Ca 0.28 -0.46 0.06 0.00 0.00 0.00 0.00 44.72 44.60 3h2i s GLY 65 CO 0.11 -0.21 -0.15 0.54 0.00 0.00 0.00 173.10 173.39 3h2i s VAL 66 N -3.77 3.02 -0.12 1.40 0.11 0.32 -2.14 120.40 119.22 3h2i s VAL 66 Ca 0.14 -1.09 -0.02 0.00 -2.93 0.00 0.00 61.98 58.08 3h2i s VAL 66 Cb -0.05 -2.29 0.04 0.00 -1.53 0.00 0.00 36.38 32.55 3h2i s VAL 66 CO 0.08 0.34 0.00 -0.22 -3.33 0.00 0.00 175.10 171.97 3h2i s LEU 67 N -1.46 0.93 -0.26 2.54 2.96 -0.27 -1.70 118.68 121.42 3h2i s LEU 67 Ca 0.15 -0.40 -0.08 0.00 -0.22 0.00 0.00 54.13 53.59 3h2i s LEU 67 Cb -0.11 -0.57 -0.02 0.00 0.50 0.00 0.00 46.19 45.99 3h2i s LEU 67 CO 0.06 -0.22 0.08 -0.76 -1.32 0.00 0.00 176.35 174.19 3h2i s LEU 68 N 1.88 3.58 -0.22 -0.68 1.43 -0.19 -0.66 118.68 123.83 3h2i s LEU 68 Ca 0.03 -0.33 -0.04 0.00 -1.03 0.00 0.00 54.13 52.76 3h2i s LEU 68 Cb -0.14 -1.92 -0.01 0.00 0.03 0.00 0.00 46.19 44.15 3h2i s LEU 68 CO -0.07 -0.08 -0.05 -0.63 0.23 0.00 0.00 176.35 175.76 3h2i s ILE 69 N 1.60 3.33 0.49 -0.59 1.01 0.13 -1.93 121.20 125.24 3h2i s ILE 69 Ca 0.06 -0.53 -0.09 0.00 0.00 0.00 0.00 60.65 60.08 3h2i s ILE 69 Cb -0.16 -2.52 -0.05 0.00 0.01 0.00 0.00 42.46 39.74 3h2i s ILE 69 CO 0.04 0.41 0.86 -2.16 0.00 0.00 0.00 174.94 174.08 3h2i s PRO 70 N 1.47 3.68 0.29 2.79 0.04 -1.26 -0.10 135.00 141.91 3h2i s PRO 70 Ca 0.06 0.49 -0.19 0.00 0.04 0.00 0.00 61.00 61.40 3h2i s PRO 70 Cb -0.14 -2.29 0.06 0.00 0.04 0.00 0.00 34.50 32.17 3h2i s PRO 70 CO -0.04 -0.24 0.90 0.20 0.04 0.00 0.00 177.00 177.87 3h2i s GLY 71 N -3.69 0.25 0.00 0.56 0.00 -0.49 -4.92 107.32 99.03 3h2i s GLY 71 Ca 0.52 -0.55 0.00 0.00 0.00 0.00 0.00 44.72 44.68 3h2i s GLY 71 CO 0.41 0.93 0.00 0.61 0.00 0.00 0.00 173.10 175.05 3h2i n GLY 72 N -0.61 3.51 0.47 0.20 0.00 -1.26 0.26 105.19 107.77 3h2i n GLY 72 Ca -0.06 -1.70 0.29 0.00 0.00 0.00 0.00 46.02 44.55 3h2i n GLY 72 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3h2i h GLU 73 N 0.00 0.03 -0.64 1.61 4.81 -2.01 0.73 114.58 119.11 3h2i h GLU 73 Ca 0.00 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3h2i h GLU 73 Cb 0.00 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.37 3h2i h GLU 73 CO 0.00 0.02 0.00 0.54 -0.73 0.00 0.00 179.01 178.84 3h2i n ARG 74 N -4.27 4.05 -2.15 1.92 1.74 -1.26 -4.39 116.66 112.30 3h2i n ARG 74 Ca 0.20 -2.84 0.01 0.00 -0.77 0.00 0.00 57.85 54.44 3h2i n ARG 74 Cb 0.99 -2.02 0.04 0.00 -1.02 0.00 0.00 32.46 30.45 3h2i n ARG 74 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3h2i s SER 76 N -2.68 4.35 0.00 0.00 1.04 -1.17 -4.46 113.70 110.79 3h2i s SER 76 Ca 0.27 2.53 0.00 0.00 0.48 0.00 0.00 55.95 59.23 3h2i s SER 76 Cb 0.34 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.85 3h2i s SER 76 CO -0.10 -2.17 0.00 0.61 0.98 0.00 0.00 173.24 172.56 3h2i n GLY 77 N 0.75 -1.49 3.78 7.32 0.00 -1.26 -4.90 105.19 109.39 3h2i n GLY 77 Ca 0.15 -1.47 -0.32 0.00 0.00 0.00 0.00 46.02 44.38 3h2i n GLY 77 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3h2i s PRO 78 N 0.00 2.81 0.04 1.61 0.02 -1.26 -5.11 135.00 133.11 3h2i s PRO 78 Ca 0.00 1.26 0.04 0.00 0.02 0.00 0.00 61.00 62.33 3h2i s PRO 78 Cb 0.00 -1.96 -0.04 0.00 0.02 0.00 0.00 34.50 32.52 3h2i s PRO 78 CO 0.00 -1.22 -0.06 0.71 -0.33 0.00 0.00 177.00 176.10 3h2i s TYR 79 N -2.55 2.88 0.42 6.54 2.02 0.23 -4.63 117.35 122.27 3h2i s TYR 79 Ca 0.64 -0.06 -0.15 0.00 -0.37 0.00 0.00 57.07 57.14 3h2i s TYR 79 Cb -0.18 -1.56 -0.08 0.00 -0.40 0.00 0.00 41.96 39.74 3h2i s TYR 79 CO 0.45 0.41 0.84 -1.25 -1.57 0.00 0.00 175.55 174.43 3h2i s PRO 80 N -1.79 3.93 -0.24 -1.71 0.04 -1.26 -0.61 135.00 133.37 3h2i s PRO 80 Ca 0.20 0.73 -0.09 0.00 0.04 0.00 0.00 61.00 61.88 3h2i s PRO 80 Cb -0.11 -2.30 -0.04 0.00 0.04 0.00 0.00 34.50 32.09 3h2i s PRO 80 CO 0.11 -0.06 0.11 -1.17 0.04 0.00 0.00 177.00 176.04 3h2i s LEU 81 N -3.63 3.76 -0.27 -3.56 2.96 0.75 -2.19 118.68 116.50 3h2i s LEU 81 Ca 0.55 -0.05 -0.03 0.00 -0.22 0.00 0.00 54.13 54.39 3h2i s LEU 81 Cb -0.10 -2.01 0.02 0.00 0.50 0.00 0.00 46.19 44.61 3h2i s LEU 81 CO 0.26 0.02 -0.02 -0.22 -1.32 0.00 0.00 176.35 175.08 3h2i s LEU 82 N 1.29 3.46 -0.02 -0.68 2.96 0.46 0.06 118.68 126.21 3h2i s LEU 82 Ca 0.06 -0.88 -0.25 0.00 -0.22 0.00 0.00 54.13 52.84 3h2i s LEU 82 Cb -0.15 -1.73 -0.04 0.00 0.50 0.00 0.00 46.19 44.77 3h2i s LEU 82 CO 0.05 -0.16 0.76 -0.83 -1.32 0.00 0.00 176.35 174.85 3h2i s GLY 83 N 1.36 2.72 -0.00 7.98 0.00 0.16 -0.07 107.32 119.48 3h2i s GLY 83 Ca 0.00 0.24 0.08 0.00 0.00 0.00 0.00 44.72 45.04 3h2i s GLY 83 CO -0.02 1.21 -0.25 0.86 0.00 0.00 0.00 173.10 174.90 3h2i s TRP 84 N 0.49 2.24 -0.27 1.90 -0.11 0.35 -2.44 118.94 121.11 3h2i s TRP 84 Ca 0.40 -0.42 -0.05 0.00 1.22 0.00 0.00 56.10 57.25 3h2i s TRP 84 Cb -0.19 -1.42 0.01 0.00 -1.50 0.00 0.00 33.47 30.37 3h2i s TRP 84 CO 0.21 -0.00 0.02 0.20 -4.62 0.00 0.00 176.95 172.76 3h2i s GLY 85 N -0.73 1.71 0.80 5.86 0.00 -0.88 -3.88 107.32 110.20 3h2i s GLY 85 Ca 0.10 -1.39 -0.12 0.00 0.00 0.00 0.00 44.72 43.31 3h2i s GLY 85 CO -0.00 0.57 1.10 -2.38 0.00 0.00 0.00 173.10 172.39 3h2i s HIS 86 N 1.45 2.85 0.97 1.90 -3.43 -1.26 -2.33 115.29 115.44 3h2i s HIS 86 Ca 0.02 1.09 -0.15 0.00 -0.80 0.00 0.00 55.06 55.22 3h2i s HIS 86 Cb -0.16 -3.16 0.22 0.00 -1.43 0.00 0.00 32.58 28.04 3h2i s HIS 86 CO -0.01 -1.77 1.32 -1.25 -2.00 0.00 0.00 174.74 171.03 3h2i s PRO 87 N -5.21 0.49 -0.08 -0.38 0.04 -1.21 -2.31 135.00 126.34 3h2i s PRO 87 Ca 0.61 -0.59 -0.39 0.00 0.04 0.00 0.00 61.00 60.67 3h2i s PRO 87 Cb -0.14 -1.87 -0.17 0.00 0.04 0.00 0.00 34.50 32.36 3h2i s PRO 87 CO 0.54 -2.48 1.44 2.41 0.04 0.00 0.00 177.00 178.95 3h2i n THR 88 N -3.76 0.09 -3.87 1.26 -1.04 -1.26 -4.83 114.28 100.86 3h2i n THR 88 Ca 0.17 -0.02 -0.28 0.00 -2.04 0.00 0.00 64.05 61.88 3h2i n THR 88 Cb 0.59 -0.80 -0.17 0.00 -1.82 0.00 0.00 70.33 68.14 3h2i n THR 88 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 3h2i s GLU 89 N 1.52 1.33 0.08 -2.82 2.56 -1.26 -4.93 118.70 115.19 3h2i s GLU 89 Ca 0.91 -0.46 0.20 0.00 0.00 0.00 0.00 54.97 55.62 3h2i s GLU 89 Cb -1.08 -1.93 -0.13 0.00 2.00 0.00 0.00 34.13 32.99 3h2i s GLU 89 CO 0.57 -0.43 0.79 0.00 -0.56 0.00 0.00 175.26 175.63 3h2i n ALA 90 N 4.91 2.33 -2.50 6.30 0.00 -1.26 -4.79 120.51 125.48 3h2i n ALA 90 Ca -0.11 -0.46 -0.42 0.00 0.00 0.00 0.00 53.44 52.45 3h2i n ALA 90 Cb 0.48 -0.93 -0.03 0.00 0.00 0.00 0.00 19.45 18.98 3h2i n ALA 90 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3h2i s LEU 91 N -5.33 3.40 0.30 0.00 2.96 -1.15 0.33 118.68 119.17 3h2i s LEU 91 Ca -0.03 0.11 0.05 0.00 -0.22 0.00 0.00 54.13 54.03 3h2i s LEU 91 Cb 0.10 -3.05 0.70 0.00 0.50 0.00 0.00 46.19 44.44 3h2i s LEU 91 CO 0.82 -1.62 1.77 -0.09 -1.32 0.00 0.00 176.35 175.92 3h2i h ARG 92 N 10.20 0.70 0.00 1.98 2.43 -1.54 -1.88 114.38 126.26 3h2i h ARG 92 Ca -0.26 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.87 3h2i h ARG 92 Cb 1.07 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.46 3h2i h ARG 92 CO 1.19 0.46 0.00 0.00 -1.51 0.00 0.00 179.97 180.12 3h2i n ALA 93 N -2.35 2.28 -1.69 2.80 0.00 -1.26 -1.19 120.51 119.09 3h2i n ALA 93 Ca 0.22 -0.11 -0.42 0.00 0.00 0.00 0.00 53.44 53.13 3h2i n ALA 93 Cb 0.55 -1.43 -0.03 0.00 0.00 0.00 0.00 19.45 18.54 3h2i n ALA 93 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3h2i n GLN 94 N -1.40 2.84 -4.09 0.00 -0.06 -0.71 -4.30 117.38 109.65 3h2i n GLN 94 Ca 0.09 1.03 -0.33 0.00 -2.00 0.00 0.00 57.00 55.79 3h2i n GLN 94 Cb 0.27 -2.93 -0.16 0.00 -4.06 0.00 0.00 30.24 23.36 3h2i n GLN 94 CO 0.00 0.00 0.00 -1.21 -0.20 0.00 0.00 177.06 175.65 3h2i s GLU 95 N 2.79 3.02 0.19 3.69 2.02 -1.26 -2.35 118.70 126.80 3h2i s GLU 95 Ca 0.82 -0.82 -0.11 0.00 0.02 0.00 0.00 54.97 54.88 3h2i s GLU 95 Cb -0.47 -2.64 0.21 0.00 0.10 0.00 0.00 34.13 31.33 3h2i s GLU 95 CO 0.37 -0.22 1.76 1.96 0.02 0.00 0.00 175.26 179.15 3h2i h GLN 96 N 7.96 0.41 -0.41 1.61 4.20 -1.95 -0.55 115.11 126.38 3h2i h GLN 96 Ca -0.45 -0.02 0.07 0.00 0.06 0.00 0.00 58.65 58.31 3h2i h GLN 96 Cb 1.14 -0.09 -0.06 0.00 0.30 0.00 0.00 27.48 28.77 3h2i h GLN 96 CO 0.63 0.27 0.07 0.00 -0.67 0.00 0.00 178.83 179.13 3h2i h ALA 97 N 1.35 0.43 0.00 3.87 0.00 -1.91 0.91 119.26 123.92 3h2i h ALA 97 Ca 0.26 0.09 -0.12 0.00 0.00 0.00 0.00 54.91 55.14 3h2i h ALA 97 Cb 0.27 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3h2i h ALA 97 CO -0.25 -0.34 -0.58 0.87 0.00 0.00 0.00 179.25 178.96 3h2i h LYS 98 N 0.19 0.00 -0.12 0.00 1.57 -1.89 -2.16 116.57 114.16 3h2i h LYS 98 Ca 0.20 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.97 3h2i h LYS 98 Cb 0.25 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 3h2i h LYS 98 CO -0.28 0.58 0.04 1.49 -0.57 0.00 0.00 179.45 180.71 3h2i h GLU 99 N 0.00 0.19 -0.42 3.15 4.57 -0.05 0.18 114.58 122.20 3h2i h GLU 99 Ca -0.01 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 3h2i h GLU 99 Cb 1.04 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.58 3h2i h GLU 99 CO 0.07 0.31 0.28 0.82 -1.18 0.00 0.00 179.01 179.31 3h2i h ILE 100 N 0.03 1.11 -0.28 2.32 2.04 -0.75 -0.65 117.51 121.32 3h2i h ILE 100 Ca 0.04 -0.19 0.01 0.00 1.00 0.00 0.00 64.86 65.72 3h2i h ILE 100 Cb 0.20 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 3h2i h ILE 100 CO -0.00 0.10 0.17 -0.09 0.00 0.00 0.00 178.15 178.33 3h2i h ARG 101 N 0.57 0.33 0.00 2.37 1.12 -1.23 -0.59 114.38 116.94 3h2i h ARG 101 Ca 0.15 -0.02 0.00 0.00 -1.11 0.00 0.00 59.98 59.00 3h2i h ARG 101 Cb -0.07 -0.07 0.00 0.00 -0.01 0.00 0.00 29.97 29.82 3h2i h ARG 101 CO -0.03 0.22 0.00 -0.25 -3.11 0.00 0.00 179.97 176.80 3h2i n ASP 102 N -4.93 0.44 -1.43 -3.80 9.92 0.61 -1.19 116.55 116.18 3h2i n ASP 102 Ca -0.01 0.65 0.09 0.00 -0.53 0.00 0.00 54.79 54.98 3h2i n ASP 102 Cb 0.04 -0.73 0.33 0.00 -0.64 0.00 0.00 41.12 40.13 3h2i n ASP 102 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3h2i n ALA 103 N -1.70 3.07 -2.63 2.24 0.00 -0.30 -4.93 120.51 116.26 3h2i n ALA 103 Ca 0.01 -1.69 -0.20 0.00 0.00 0.00 0.00 53.44 51.55 3h2i n ALA 103 Cb 0.12 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.65 3h2i n ALA 103 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3h2i n LYS 104 N 0.78 -2.77 -0.64 0.00 5.02 -0.33 -1.50 118.16 118.71 3h2i n LYS 104 Ca 0.24 0.90 0.00 0.00 -2.02 0.00 0.00 58.31 57.43 3h2i n LYS 104 Cb 0.88 -5.61 0.00 0.00 -0.02 0.00 0.00 35.03 30.28 3h2i n LYS 104 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h2i n GLY 105 N -1.14 1.21 3.14 0.72 0.00 -0.34 -4.92 105.19 103.86 3h2i n GLY 105 Ca -0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.43 3h2i n GLY 105 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3h2i n ASP 106 N 0.00 3.43 -3.82 1.61 2.03 -0.57 -4.45 116.55 114.78 3h2i n ASP 106 Ca 0.00 -2.77 -0.13 0.00 0.52 0.00 0.00 54.79 52.41 3h2i n ASP 106 Cb 0.00 -1.49 -0.14 0.00 -0.72 0.00 0.00 41.12 38.77 3h2i n ASP 106 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3h2i s ASP 107 N 4.56 -0.02 0.54 1.67 2.15 -1.26 -5.00 116.67 119.31 3h2i s ASP 107 Ca 0.55 0.10 0.35 0.00 0.43 0.00 0.00 52.55 53.98 3h2i s ASP 107 Cb 0.10 0.06 1.52 0.00 -0.30 0.00 0.00 42.92 44.30 3h2i s ASP 107 CO 0.05 -0.06 1.83 1.55 -0.17 0.00 0.00 175.17 178.37 3h2i h PRO 108 N 6.51 0.01 -0.48 4.34 0.13 -1.96 0.40 132.00 140.95 3h2i h PRO 108 Ca -0.32 -0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.78 3h2i h PRO 108 Cb 1.18 -0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 3h2i h PRO 108 CO 0.48 0.01 0.18 -0.07 -0.23 0.00 0.00 178.00 178.36 3h2i h LEU 109 N 0.02 0.63 0.00 1.56 3.38 -1.96 0.36 115.31 119.30 3h2i h LEU 109 Ca 0.53 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 58.34 3h2i h LEU 109 Cb 2.08 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 42.65 3h2i h LEU 109 CO -0.02 0.59 -0.55 0.58 0.09 0.00 0.00 178.44 179.13 3h2i h VAL 110 N 0.69 0.68 -0.21 1.22 2.07 -0.64 -0.03 116.25 120.03 3h2i h VAL 110 Ca 0.16 -1.68 -0.11 0.00 0.82 0.00 0.00 66.70 65.90 3h2i h VAL 110 Cb 0.16 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 3h2i h VAL 110 CO -0.01 0.23 -0.34 0.71 0.02 0.00 0.00 177.57 178.18 3h2i h THR 111 N -1.00 1.29 0.00 2.57 1.35 -0.75 -1.91 112.91 114.45 3h2i h THR 111 Ca -0.12 -1.43 -0.26 0.00 -0.55 0.00 0.00 66.41 64.06 3h2i h THR 111 Cb 0.78 1.50 -0.05 0.00 -1.73 0.00 0.00 68.15 68.65 3h2i h THR 111 CO -0.07 0.44 -2.22 0.54 -0.25 0.00 0.00 175.52 173.97 3h2i n ARG 112 N -4.07 0.82 0.01 4.72 5.12 0.12 -4.68 116.66 118.70 3h2i n ARG 112 Ca -0.01 -0.05 -0.01 0.00 -1.93 0.00 0.00 57.85 55.85 3h2i n ARG 112 Cb 0.46 -1.49 -0.00 0.00 -1.16 0.00 0.00 32.46 30.27 3h2i n ARG 112 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3h2i n LEU 113 N -2.58 0.57 -0.32 0.55 4.77 -1.06 -4.54 117.00 114.39 3h2i n LEU 113 Ca -0.24 0.08 0.13 0.00 -0.03 0.00 0.00 56.01 55.95 3h2i n LEU 113 Cb 0.98 -0.26 0.35 0.00 -2.33 0.00 0.00 43.42 42.15 3h2i n LEU 113 CO 0.41 -0.56 1.21 0.00 -1.33 0.00 0.00 177.39 177.12 3h2i h ALA 114 N -0.39 1.77 0.00 -1.18 0.00 -1.07 0.51 119.26 118.90 3h2i h ALA 114 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3h2i h ALA 114 Cb 0.11 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3h2i h ALA 114 CO 0.00 -0.08 0.00 -1.13 0.00 0.00 0.00 179.25 178.04 3h2i n SER 115 N -4.66 0.00 -0.46 0.00 3.41 -0.72 -2.00 113.62 109.19 3h2i n SER 115 Ca 0.21 -0.16 0.06 0.00 -0.26 0.00 0.00 58.87 58.71 3h2i n SER 115 Cb 0.54 -0.18 0.14 0.00 -0.26 0.00 0.00 64.21 64.45 3h2i n SER 115 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h2i n GLN 116 N -1.18 2.67 -0.07 4.33 1.13 0.18 -0.64 117.38 123.79 3h2i n GLN 116 Ca 0.09 -2.20 0.00 0.00 -1.94 0.00 0.00 57.00 52.95 3h2i n GLN 116 Cb 0.10 -1.39 0.00 0.00 0.11 0.00 0.00 30.24 29.06 3h2i n GLN 116 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3h2i n GLY 117 N -0.29 0.91 3.69 1.08 0.00 -0.85 -4.97 105.19 104.75 3h2i n GLY 117 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 3h2i n GLY 117 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h2i s TYR 118 N -2.02 3.35 -0.11 1.61 1.51 -1.12 -4.18 117.35 116.40 3h2i s TYR 118 Ca 0.00 0.28 -0.30 0.00 -1.01 0.00 0.00 57.07 56.05 3h2i s TYR 118 Cb 0.00 -2.24 -0.01 0.00 -0.11 0.00 0.00 41.96 39.59 3h2i s TYR 118 CO 0.00 0.14 1.04 0.08 -1.11 0.00 0.00 175.55 175.70 3h2i s VAL 119 N 0.82 4.70 -0.17 0.71 1.01 -0.93 -3.68 120.40 122.87 3h2i s VAL 119 Ca 0.08 1.98 -0.04 0.00 0.00 0.00 0.00 61.98 64.01 3h2i s VAL 119 Cb -0.13 -4.28 -0.02 0.00 0.00 0.00 0.00 36.38 31.95 3h2i s VAL 119 CO 0.02 -0.01 -0.04 -0.69 0.00 0.00 0.00 175.10 174.38 3h2i s VAL 120 N 2.15 3.81 -0.13 2.92 1.01 -0.81 -0.41 120.40 128.94 3h2i s VAL 120 Ca 0.49 -0.38 0.01 0.00 0.00 0.00 0.00 61.98 62.10 3h2i s VAL 120 Cb -0.19 -2.68 0.02 0.00 0.00 0.00 0.00 36.38 33.53 3h2i s VAL 120 CO 0.17 0.48 -0.17 -0.69 0.00 0.00 0.00 175.10 174.89 3h2i s VAL 121 N 0.57 1.70 -0.04 2.92 1.01 0.90 -1.02 120.40 126.45 3h2i s VAL 121 Ca -0.03 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.23 3h2i s VAL 121 Cb -0.14 -1.55 0.01 0.00 0.00 0.00 0.00 36.38 34.70 3h2i s VAL 121 CO 0.03 0.48 -0.08 -0.83 0.00 0.00 0.00 175.10 174.69 3h2i s GLY 122 N 1.12 0.56 0.12 4.51 0.00 -0.69 0.13 107.32 113.07 3h2i s GLY 122 Ca -0.02 -0.27 -0.15 0.00 0.00 0.00 0.00 44.72 44.28 3h2i s GLY 122 CO -0.05 0.10 0.53 -0.45 0.00 0.00 0.00 173.10 173.23 3h2i s SER 123 N 0.48 6.85 0.13 1.64 0.15 -1.25 -0.52 113.70 121.18 3h2i s SER 123 Ca -0.08 1.08 0.25 0.00 0.70 0.00 0.00 55.95 57.90 3h2i s SER 123 Cb -0.12 -2.29 0.94 0.00 -1.71 0.00 0.00 66.02 62.84 3h2i s SER 123 CO 0.01 0.15 1.76 0.47 1.20 0.00 0.00 173.24 176.84 3h2i n ASP 124 N 1.04 0.45 0.00 5.45 8.00 0.19 -4.67 116.55 127.00 3h2i n ASP 124 Ca -0.07 0.56 0.00 0.00 0.71 0.00 0.00 54.79 55.99 3h2i n ASP 124 Cb 0.52 -0.67 0.00 0.00 -0.02 0.00 0.00 41.12 40.94 3h2i n ASP 124 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3h2i n TYR 125 N -1.94 0.00 -1.88 1.24 0.53 -1.26 -4.57 117.16 109.28 3h2i n TYR 125 Ca 0.05 0.00 -0.41 0.00 -1.02 0.00 0.00 57.90 56.52 3h2i n TYR 125 Cb 0.33 0.00 -0.01 0.00 -1.03 0.00 0.00 39.34 38.63 3h2i n TYR 125 CO 0.00 0.00 0.00 -0.51 -1.02 0.00 0.00 176.86 175.33 3h2i s LEU 126 N -2.43 4.35 0.00 7.72 1.43 -1.26 -2.59 118.68 125.91 3h2i s LEU 126 Ca 0.00 2.93 0.00 0.00 -1.03 0.00 0.00 54.13 56.03 3h2i s LEU 126 Cb 0.00 -3.65 0.00 0.00 0.03 0.00 0.00 46.19 42.57 3h2i s LEU 126 CO 0.00 -0.80 0.00 0.61 0.23 0.00 0.00 176.35 176.39 3h2i n GLY 127 N 1.02 0.91 3.40 -3.19 0.00 -1.23 -4.23 105.19 101.86 3h2i n GLY 127 Ca 0.03 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.85 3h2i n GLY 127 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h2i s LEU 128 N 0.00 2.34 0.00 0.99 1.43 -1.07 -4.57 118.68 117.80 3h2i s LEU 128 Ca 0.00 -1.23 0.00 0.00 -1.03 0.00 0.00 54.13 51.87 3h2i s LEU 128 Cb 0.00 -0.47 0.00 0.00 0.03 0.00 0.00 46.19 45.75 3h2i s LEU 128 CO 0.00 -0.45 0.00 0.61 0.23 0.00 0.00 176.35 176.74 3h2i n GLY 129 N -0.55 3.76 1.31 -3.19 0.00 -0.33 -1.39 105.19 104.81 3h2i n GLY 129 Ca -0.05 -0.01 0.06 0.00 0.00 0.00 0.00 46.02 46.02 3h2i n GLY 129 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3h2i n LYS 130 N 14.00 3.22 -1.69 1.61 5.02 -1.26 -4.69 118.16 134.36 3h2i n LYS 130 Ca 0.00 -2.14 -0.33 0.00 -2.02 0.00 0.00 58.31 53.82 3h2i n LYS 130 Cb 0.00 -1.82 0.05 0.00 -0.02 0.00 0.00 35.03 33.25 3h2i n LYS 130 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3h2i s SER 131 N -0.72 5.00 -0.12 4.39 0.15 -0.48 -4.65 113.70 117.26 3h2i s SER 131 Ca 0.38 2.01 0.16 0.00 0.70 0.00 0.00 55.95 59.20 3h2i s SER 131 Cb 0.26 -2.55 0.61 0.00 -1.71 0.00 0.00 66.02 62.63 3h2i s SER 131 CO 0.16 -1.71 1.53 -0.46 1.20 0.00 0.00 173.24 173.97 3h2i n ASN 132 N -2.53 4.34 -4.77 5.45 6.94 -1.25 -4.74 115.26 118.71 3h2i n ASN 132 Ca 0.10 -2.54 -0.38 0.00 -0.02 0.00 0.00 54.58 51.73 3h2i n ASN 132 Cb 0.52 -0.52 -0.06 0.00 -2.36 0.00 0.00 39.78 37.36 3h2i n ASN 132 CO 0.00 0.00 0.00 -0.47 -1.03 0.00 0.00 177.26 175.76 3h2i s TYR 133 N -2.01 3.77 0.49 -2.53 5.04 -1.26 -4.94 117.35 115.91 3h2i s TYR 133 Ca 0.45 1.82 0.26 0.00 -2.44 0.00 0.00 57.07 57.16 3h2i s TYR 133 Cb 0.30 -3.00 1.53 0.00 0.35 0.00 0.00 41.96 41.15 3h2i s TYR 133 CO 0.19 0.18 2.13 0.00 -1.34 0.00 0.00 175.55 176.71 3h2i h ALA 134 N 3.58 1.45 -2.94 3.97 0.00 -1.93 -3.38 119.26 120.01 3h2i h ALA 134 Ca -0.46 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.25 3h2i h ALA 134 Cb 1.20 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.92 3h2i h ALA 134 CO 0.66 0.10 -0.00 1.52 0.00 0.00 0.00 179.25 181.53 3h2i s TYR 135 N -4.44 0.55 -0.23 0.00 1.13 -1.26 -4.97 117.35 108.13 3h2i s TYR 135 Ca -0.04 -0.97 -0.06 0.00 -1.41 0.00 0.00 57.07 54.60 3h2i s TYR 135 Cb 0.14 0.32 -0.02 0.00 -1.10 0.00 0.00 41.96 41.30 3h2i s TYR 135 CO 0.59 -1.26 0.02 -1.58 -2.51 0.00 0.00 175.55 170.81 3h2i s HIS 136 N -3.04 3.04 -1.25 -3.49 5.65 -1.26 -3.52 115.29 111.42 3h2i s HIS 136 Ca 0.23 -0.57 -0.19 0.00 0.25 0.00 0.00 55.06 54.78 3h2i s HIS 136 Cb -0.02 -2.16 0.01 0.00 -1.18 0.00 0.00 32.58 29.22 3h2i s HIS 136 CO 0.15 -0.38 1.91 -2.30 -0.65 0.00 0.00 174.74 173.46 3h2i n PRO 137 N 4.70 2.60 -1.73 2.88 -0.02 -1.26 -4.73 135.00 137.44 3h2i n PRO 137 Ca -0.17 -2.81 -0.42 0.00 -2.02 0.00 0.00 63.50 58.08 3h2i n PRO 137 Cb 0.51 -3.44 -0.03 0.00 -0.02 0.00 0.00 33.50 30.53 3h2i n PRO 137 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 3h2i n TYR 138 N 9.07 2.80 -2.51 6.00 9.36 -1.26 -2.49 117.16 138.14 3h2i n TYR 138 Ca 0.49 0.10 -0.17 0.00 3.32 0.00 0.00 57.90 61.64 3h2i n TYR 138 Cb 0.44 -2.65 -0.00 0.00 -0.63 0.00 0.00 39.34 36.49 3h2i n TYR 138 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 3h2i n LEU 139 N 3.38 -1.57 -4.35 2.98 4.77 -1.26 -4.73 117.00 116.21 3h2i n LEU 139 Ca 0.14 0.05 -0.44 0.00 -0.03 0.00 0.00 56.01 55.73 3h2i n LEU 139 Cb 0.36 -2.51 -0.07 0.00 -2.33 0.00 0.00 43.42 38.87 3h2i n LEU 139 CO 0.64 -0.13 0.04 -2.28 -1.33 0.00 0.00 177.39 174.33 3h2i s HIS 140 N -2.83 3.26 0.17 -1.77 2.46 -1.04 -4.85 115.29 110.69 3h2i s HIS 140 Ca 0.04 -1.10 -0.25 0.00 0.47 0.00 0.00 55.06 54.23 3h2i s HIS 140 Cb -0.02 -3.30 0.05 0.00 -0.13 0.00 0.00 32.58 29.18 3h2i s HIS 140 CO 0.05 -0.86 1.58 0.77 -2.47 0.00 0.00 174.74 173.81 3h2i h SER 141 N 8.74 -1.36 -0.36 9.88 0.02 -1.89 -1.51 113.55 127.06 3h2i h SER 141 Ca -0.28 0.23 0.07 0.00 -0.84 0.00 0.00 61.79 60.97 3h2i h SER 141 Cb 1.10 0.63 -0.06 0.00 0.14 0.00 0.00 62.40 64.21 3h2i h SER 141 CO 0.90 -0.34 -0.06 0.00 -1.14 0.00 0.00 176.83 176.20 3h2i h ALA 142 N 0.67 0.27 0.00 3.77 0.00 -1.93 -0.22 119.26 121.82 3h2i h ALA 142 Ca 0.18 0.13 -0.07 0.00 0.00 0.00 0.00 54.91 55.14 3h2i h ALA 142 Cb 0.56 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 3h2i h ALA 142 CO -0.64 -0.44 -0.35 0.66 0.00 0.00 0.00 179.25 178.48 3h2i h SER 143 N 0.03 0.00 -0.43 0.00 4.64 -1.88 0.59 113.55 116.50 3h2i h SER 143 Ca 0.17 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.35 3h2i h SER 143 Cb 0.26 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.34 3h2i h SER 143 CO -0.34 0.35 -0.29 -0.33 -0.87 0.00 0.00 176.83 175.35 3h2i h GLU 144 N 0.00 0.97 -0.03 4.77 5.08 -0.91 -1.57 114.58 122.90 3h2i h GLU 144 Ca -0.00 -0.46 -0.03 0.00 -1.00 0.00 0.00 59.36 57.87 3h2i h GLU 144 Cb 1.20 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.44 3h2i h GLU 144 CO 0.05 1.13 -0.09 0.00 -1.00 0.00 0.00 179.01 179.09 3h2i h ALA 145 N 0.84 0.05 -0.47 3.43 0.00 -0.91 -2.52 119.26 119.68 3h2i h ALA 145 Ca 0.09 -0.34 0.03 0.00 0.00 0.00 0.00 54.91 54.69 3h2i h ALA 145 Cb 0.88 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 3h2i h ALA 145 CO 0.08 -0.07 0.26 0.66 0.00 0.00 0.00 179.25 180.18 3h2i h SER 146 N -0.45 0.40 -0.77 0.00 4.64 -0.89 0.26 113.55 116.74 3h2i h SER 146 Ca -0.00 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.32 3h2i h SER 146 Cb 0.71 -0.07 -0.04 0.00 -0.31 0.00 0.00 62.40 62.70 3h2i h SER 146 CO 0.02 0.28 0.45 0.00 -0.87 0.00 0.00 176.83 176.71 3h2i h ALA 147 N 1.23 0.98 -0.24 5.18 0.00 -1.36 -0.15 119.26 124.90 3h2i h ALA 147 Ca 0.20 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 3h2i h ALA 147 Cb 0.06 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3h2i h ALA 147 CO -0.11 0.47 -0.17 1.15 0.00 0.00 0.00 179.25 180.59 3h2i h THR 148 N 1.06 1.31 0.35 0.00 2.02 -0.97 -0.95 112.91 115.72 3h2i h THR 148 Ca 0.27 -1.29 -0.01 0.00 0.77 0.00 0.00 66.41 66.16 3h2i h THR 148 Cb -0.01 1.63 -0.01 0.00 -1.74 0.00 0.00 68.15 68.02 3h2i h THR 148 CO -0.05 0.40 -0.23 0.40 0.37 0.00 0.00 175.52 176.41 3h2i h ILE 149 N 0.24 0.52 0.00 3.11 1.08 -0.29 -2.20 117.51 119.97 3h2i h ILE 149 Ca 0.05 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.50 3h2i h ILE 149 Cb 0.70 0.52 -0.00 0.00 -3.07 0.00 0.00 36.82 34.96 3h2i h ILE 149 CO 0.05 0.00 -0.08 0.44 -0.69 0.00 0.00 178.15 177.86 3h2i h ASP 150 N -0.56 0.00 -0.27 1.72 3.45 -1.04 -1.37 116.42 118.35 3h2i h ASP 150 Ca -0.03 0.00 -0.12 0.00 0.43 0.00 0.00 57.03 57.31 3h2i h ASP 150 Cb 0.47 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.24 3h2i h ASP 150 CO 0.02 0.08 -0.30 0.00 -1.57 0.00 0.00 179.24 177.47 3h2i h ALA 151 N 1.92 0.40 -0.30 3.45 0.00 -0.68 -1.69 119.26 122.36 3h2i h ALA 151 Ca -0.00 -0.41 -0.10 0.00 0.00 0.00 0.00 54.91 54.40 3h2i h ALA 151 Cb 0.24 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3h2i h ALA 151 CO 0.01 0.43 -0.23 0.52 0.00 0.00 0.00 179.25 179.98 3h2i h MET 152 N 0.42 0.58 0.00 0.00 2.86 -0.80 0.17 114.93 118.16 3h2i h MET 152 Ca 0.04 -0.22 -0.00 0.00 -2.06 0.00 0.00 59.70 57.46 3h2i h MET 152 Cb 0.88 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.50 3h2i h MET 152 CO 0.07 0.77 -0.00 0.00 1.06 0.00 0.00 176.91 178.81 3h2i h ARG 153 N 0.51 -0.00 -0.68 1.72 3.08 -1.12 -0.31 114.38 117.58 3h2i h ARG 153 Ca 0.08 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.05 3h2i h ARG 153 Cb 0.67 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.70 3h2i h ARG 153 CO 0.05 0.09 0.12 0.00 -1.07 0.00 0.00 179.97 179.16 3h2i h ALA 154 N 0.91 0.93 -0.54 0.04 0.00 -1.11 -2.63 119.26 116.85 3h2i h ALA 154 Ca -0.00 -0.27 0.04 0.00 0.00 0.00 0.00 54.91 54.68 3h2i h ALA 154 Cb 0.09 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 3h2i h ALA 154 CO 0.00 0.67 0.30 0.00 0.00 0.00 0.00 179.25 180.22 3h2i h ALA 155 N 1.08 0.70 -0.08 0.00 0.00 -0.42 -1.41 119.26 119.12 3h2i h ALA 155 Ca 0.21 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.13 3h2i h ALA 155 Cb 0.43 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 3h2i h ALA 155 CO 0.01 -0.02 0.06 0.00 0.00 0.00 0.00 179.25 179.30 3h2i h ARG 156 N 0.59 0.07 -0.39 0.00 3.08 -0.70 0.21 114.38 117.24 3h2i h ARG 156 Ca 0.23 -0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.16 3h2i h ARG 156 Cb 0.09 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 3h2i h ARG 156 CO -0.13 0.05 -0.22 0.77 -1.07 0.00 0.00 179.97 179.37 3h2i h SER 157 N 0.07 0.86 0.20 7.04 0.02 -1.03 0.47 113.55 121.18 3h2i h SER 157 Ca 0.03 -0.42 -0.01 0.00 -0.84 0.00 0.00 61.79 60.56 3h2i h SER 157 Cb 0.05 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.36 3h2i h SER 157 CO -0.00 1.09 -0.10 0.58 -1.14 0.00 0.00 176.83 177.25 3h2i h VAL 158 N 0.63 0.83 -0.78 2.27 2.07 -0.77 -1.08 116.25 119.43 3h2i h VAL 158 Ca 0.08 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 67.46 3h2i h VAL 158 Cb 0.78 0.92 -0.04 0.00 -1.52 0.00 0.00 31.29 31.42 3h2i h VAL 158 CO 0.06 0.03 0.48 -0.07 0.02 0.00 0.00 177.57 178.09 3h2i h LEU 159 N -0.34 0.92 -0.57 2.57 3.38 -0.98 0.03 115.31 120.31 3h2i h LEU 159 Ca -0.03 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 3h2i h LEU 159 Cb 0.26 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3h2i h LEU 159 CO 0.05 0.70 0.17 -0.61 0.09 0.00 0.00 178.44 178.83 3h2i h GLN 160 N 1.07 0.90 -0.67 1.13 4.15 -0.67 0.16 115.11 121.17 3h2i h GLN 160 Ca 0.28 -0.20 -0.08 0.00 0.77 0.00 0.00 58.65 59.43 3h2i h GLN 160 Cb -0.06 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 27.47 3h2i h GLN 160 CO -0.05 0.81 0.12 1.25 -1.93 0.00 0.00 178.83 179.03 3h2i h HIS 161 N 0.81 1.17 0.00 3.99 2.76 -0.50 -2.50 115.15 120.88 3h2i h HIS 161 Ca 0.18 -0.16 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 3h2i h HIS 161 Cb 0.30 -0.32 0.00 0.00 1.55 0.00 0.00 27.41 28.94 3h2i h HIS 161 CO 0.02 0.97 0.00 1.28 -1.30 0.00 0.00 177.93 178.90 3h2i n LEU 162 N -4.23 0.00 -1.51 0.26 4.77 -0.07 -4.91 117.00 111.31 3h2i n LEU 162 Ca 0.04 0.49 -0.13 0.00 -0.03 0.00 0.00 56.01 56.38 3h2i n LEU 162 Cb 0.28 -0.49 -0.00 0.00 -2.33 0.00 0.00 43.42 40.89 3h2i n LEU 162 CO 0.43 -0.05 -0.13 0.29 -1.33 0.00 0.00 177.39 176.60 3h2i n LYS 163 N -1.49 -1.35 -2.35 3.23 5.02 0.35 -4.96 118.16 116.61 3h2i n LYS 163 Ca 0.07 0.60 -0.42 0.00 -2.02 0.00 0.00 58.31 56.53 3h2i n LYS 163 Cb 0.30 -4.78 -0.03 0.00 -0.02 0.00 0.00 35.03 30.51 3h2i n LYS 163 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3h2i s THR 164 N -2.68 4.04 -0.17 -0.18 2.01 -0.02 -4.96 115.64 113.70 3h2i s THR 164 Ca 0.03 1.37 -0.29 0.00 0.31 0.00 0.00 61.69 63.11 3h2i s THR 164 Cb -0.01 -3.88 -0.02 0.00 0.01 0.00 0.00 72.50 68.60 3h2i s THR 164 CO 0.04 -0.03 1.30 -2.16 -0.69 0.00 0.00 174.62 173.08 3h2i s PRO 165 N 2.59 4.20 -0.08 4.92 0.04 -1.26 -4.74 135.00 140.67 3h2i s PRO 165 Ca 0.59 1.67 -0.01 0.00 0.04 0.00 0.00 61.00 63.29 3h2i s PRO 165 Cb -0.27 -3.80 -0.03 0.00 0.04 0.00 0.00 34.50 30.44 3h2i s PRO 165 CO 0.23 -0.76 -0.01 -0.51 0.04 0.00 0.00 177.00 175.99 3h2i s LEU 166 N 3.64 3.52 0.32 -3.56 1.43 -1.26 -0.60 118.68 122.16 3h2i s LEU 166 Ca 0.57 0.11 0.15 0.00 -1.03 0.00 0.00 54.13 53.92 3h2i s LEU 166 Cb -0.22 -1.82 0.45 0.00 0.03 0.00 0.00 46.19 44.63 3h2i s LEU 166 CO 0.17 0.37 1.63 0.77 0.23 0.00 0.00 176.35 179.52 3h2i h SER 167 N 5.09 0.00 0.00 2.29 4.64 -1.12 -3.43 113.55 121.02 3h2i h SER 167 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 3h2i h SER 167 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3h2i h SER 167 CO 0.54 0.51 0.00 0.61 -0.87 0.00 0.00 176.83 177.62 3h2i n GLY 168 N 0.43 2.08 3.73 -0.77 0.00 -1.26 -5.05 105.19 104.35 3h2i n GLY 168 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 3h2i n GLY 168 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h2i s LYS 169 N -0.62 4.49 0.07 1.61 -0.14 -1.26 -4.12 119.74 119.76 3h2i s LYS 169 Ca 0.00 1.82 0.09 0.00 -1.36 0.00 0.00 55.97 56.51 3h2i s LYS 169 Cb 0.00 -3.28 -0.03 0.00 -1.68 0.00 0.00 37.83 32.84 3h2i s LYS 169 CO 0.00 -0.11 -0.23 0.08 -0.76 0.00 0.00 175.35 174.33 3h2i s VAL 170 N 0.24 1.89 0.11 3.17 1.01 -0.40 -0.18 120.40 126.25 3h2i s VAL 170 Ca 0.54 -1.38 -0.02 0.00 0.00 0.00 0.00 61.98 61.11 3h2i s VAL 170 Cb -0.31 -1.65 -0.03 0.00 0.00 0.00 0.00 36.38 34.38 3h2i s VAL 170 CO 0.34 0.19 0.07 -0.04 0.00 0.00 0.00 175.10 175.66 3h2i s MET 171 N -1.43 0.88 0.05 2.72 -1.94 0.11 -0.94 119.30 118.75 3h2i s MET 171 Ca 0.09 -1.34 0.01 0.00 -1.71 0.00 0.00 55.69 52.74 3h2i s MET 171 Cb -0.09 0.25 -0.03 0.00 2.01 0.00 0.00 34.83 36.97 3h2i s MET 171 CO 0.03 -0.24 -0.06 -0.51 -0.01 0.00 0.00 175.02 174.22 3h2i s LEU 172 N -3.00 2.33 0.13 -0.03 1.43 -0.65 -0.66 118.68 118.22 3h2i s LEU 172 Ca 0.19 -0.69 -0.26 0.00 -1.03 0.00 0.00 54.13 52.35 3h2i s LEU 172 Cb 0.07 -0.05 0.07 0.00 0.03 0.00 0.00 46.19 46.31 3h2i s LEU 172 CO -0.02 -0.32 0.97 -0.55 0.23 0.00 0.00 176.35 176.67 3h2i s SER 173 N -2.01 -0.19 0.00 2.29 0.15 -1.02 -0.62 113.70 112.30 3h2i s SER 173 Ca -0.05 -0.35 0.00 0.00 0.70 0.00 0.00 55.95 56.25 3h2i s SER 173 Cb -0.05 0.46 0.00 0.00 -1.71 0.00 0.00 66.02 64.72 3h2i s SER 173 CO -0.02 -0.84 0.00 0.61 1.20 0.00 0.00 173.24 174.19 3h2i n GLY 174 N -0.45 1.55 3.34 9.45 0.00 -1.25 -2.08 105.19 115.76 3h2i n GLY 174 Ca -0.06 -0.45 -0.32 0.00 0.00 0.00 0.00 46.02 45.19 3h2i n GLY 174 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3h2i s TYR 175 N -2.00 2.61 0.00 1.61 5.04 -0.98 0.49 117.35 124.12 3h2i s TYR 175 Ca 0.00 -0.60 0.00 0.00 -2.44 0.00 0.00 57.07 54.03 3h2i s TYR 175 Cb 0.00 -1.68 0.00 0.00 0.35 0.00 0.00 41.96 40.63 3h2i s TYR 175 CO 0.00 -0.14 0.00 0.45 -1.34 0.00 0.00 175.55 174.52 3h2i n SER 176 N 3.01 0.00 0.01 4.32 2.88 0.00 -0.36 113.62 123.48 3h2i n SER 176 Ca -0.18 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.44 3h2i n SER 176 Cb 0.52 0.00 0.49 0.00 -0.75 0.00 0.00 64.21 64.47 3h2i n SER 176 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 3h2i h GLN 177 N 0.00 0.40 0.00 -1.46 4.15 -1.84 0.10 115.11 116.46 3h2i h GLN 177 Ca 0.00 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.40 3h2i h GLN 177 Cb 0.00 -0.09 -0.00 0.00 0.21 0.00 0.00 27.48 27.60 3h2i h GLN 177 CO 0.00 0.26 -0.00 0.78 -1.93 0.00 0.00 178.83 177.94 3h2i h GLY 178 N 0.41 0.00 1.00 2.39 0.00 -0.28 0.25 103.07 106.84 3h2i h GLY 178 Ca 0.17 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.37 3h2i h GLY 178 CO -0.04 0.00 -0.36 -1.33 0.00 0.00 0.00 176.54 174.81 3h2i h GLY 179 N 0.02 0.79 0.98 4.60 0.00 -0.74 0.27 103.07 109.00 3h2i h GLY 179 Ca -0.00 -0.86 -0.01 0.00 0.00 0.00 0.00 47.33 46.46 3h2i h GLY 179 CO 0.00 0.78 -0.06 0.84 0.00 0.00 0.00 176.54 178.10 3h2i h HIS 180 N 0.47 -0.16 -0.27 5.60 6.17 -1.18 -1.40 115.15 124.38 3h2i h HIS 180 Ca 0.03 -0.00 0.06 0.00 0.71 0.00 0.00 60.37 61.17 3h2i h HIS 180 Cb 0.95 0.05 -0.07 0.00 2.52 0.00 0.00 27.41 30.87 3h2i h HIS 180 CO 0.08 -0.08 -0.16 1.15 0.71 0.00 0.00 177.93 179.62 3h2i h THR 181 N -0.19 0.53 -0.07 6.26 2.02 -0.83 0.24 112.91 120.87 3h2i h THR 181 Ca -0.02 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.19 3h2i h THR 181 Cb 0.15 0.53 -0.04 0.00 -1.74 0.00 0.00 68.15 67.05 3h2i h THR 181 CO 0.03 0.00 -0.14 0.00 0.37 0.00 0.00 175.52 175.78 3h2i h ALA 182 N 1.05 -0.10 -0.65 6.16 0.00 -0.24 -0.29 119.26 125.20 3h2i h ALA 182 Ca 0.15 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 3h2i h ALA 182 Cb 0.36 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 3h2i h ALA 182 CO -0.36 -0.61 0.12 1.98 0.00 0.00 0.00 179.25 180.39 3h2i h MET 183 N -0.20 1.04 -0.77 0.00 1.85 -0.88 -1.03 114.93 114.95 3h2i h MET 183 Ca 0.07 -0.26 -0.02 0.00 -0.61 0.00 0.00 59.70 58.89 3h2i h MET 183 Cb 0.30 -0.13 -0.04 0.00 0.43 0.00 0.00 31.60 32.15 3h2i h MET 183 CO -0.19 0.95 0.42 0.00 -0.40 0.00 0.00 176.91 177.69 3h2i h ALA 184 N 1.14 1.28 -0.31 0.39 0.00 -0.10 -1.16 119.26 120.51 3h2i h ALA 184 Ca 0.20 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 3h2i h ALA 184 Cb 0.40 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3h2i h ALA 184 CO 0.01 0.58 -0.19 1.15 0.00 0.00 0.00 179.25 180.81 3h2i h THR 185 N 1.08 1.29 -0.03 0.00 2.02 -0.65 -2.66 112.91 113.97 3h2i h THR 185 Ca 0.27 -1.31 0.03 0.00 0.77 0.00 0.00 66.41 66.18 3h2i h THR 185 Cb 0.03 1.47 -0.04 0.00 -1.74 0.00 0.00 68.15 67.87 3h2i h THR 185 CO -0.04 0.42 -0.20 -0.61 0.37 0.00 0.00 175.52 175.45 3h2i h GLN 186 N 0.43 -0.30 -0.33 6.66 4.15 -0.68 0.85 115.11 125.90 3h2i h GLN 186 Ca 0.06 0.02 0.06 0.00 0.77 0.00 0.00 58.65 59.57 3h2i h GLN 186 Cb 0.73 0.07 -0.06 0.00 0.21 0.00 0.00 27.48 28.43 3h2i h GLN 186 CO 0.05 -0.20 -0.03 -0.09 -1.93 0.00 0.00 178.83 176.64 3h2i h ARG 187 N -0.31 0.06 0.00 1.69 2.43 -1.21 0.52 114.38 117.56 3h2i h ARG 187 Ca 0.07 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 3h2i h ARG 187 Cb 0.40 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.94 3h2i h ARG 187 CO -0.21 0.04 -0.02 1.49 -1.51 0.00 0.00 179.97 179.76 3h2i h GLU 188 N 0.06 -0.04 -0.21 0.20 4.57 -1.08 -1.15 114.58 116.93 3h2i h GLU 188 Ca 0.16 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.34 3h2i h GLU 188 Cb 0.23 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.82 3h2i h GLU 188 CO -0.29 -0.02 0.13 0.82 -1.18 0.00 0.00 179.01 178.47 3h2i h ILE 189 N -0.04 1.08 -0.85 2.32 2.04 -0.53 0.10 117.51 121.64 3h2i h ILE 189 Ca 0.01 -0.17 0.02 0.00 1.00 0.00 0.00 64.86 65.71 3h2i h ILE 189 Cb 0.05 0.81 -0.04 0.00 -0.74 0.00 0.00 36.82 36.89 3h2i h ILE 189 CO -0.02 0.07 0.56 -0.33 0.00 0.00 0.00 178.15 178.43 3h2i h GLU 190 N 0.27 1.09 0.03 2.37 5.08 -0.79 0.81 114.58 123.44 3h2i h GLU 190 Ca 0.08 -0.07 -0.26 0.00 -1.00 0.00 0.00 59.36 58.11 3h2i h GLU 190 Cb 0.00 -0.24 0.02 0.00 0.50 0.00 0.00 28.75 29.02 3h2i h GLU 190 CO -0.02 0.72 -1.07 0.00 -1.00 0.00 0.00 179.01 177.64 3h2i h ALA 191 N 1.48 0.17 0.00 3.43 0.00 -0.96 -3.43 119.26 119.96 3h2i h ALA 191 Ca 0.32 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3h2i h ALA 191 Cb -0.09 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3h2i h ALA 191 CO -0.08 0.74 0.00 0.72 0.00 0.00 0.00 179.25 180.63 3h2i n HIS 192 N -3.79 0.00 -2.09 0.00 8.25 0.00 -4.91 115.22 112.68 3h2i n HIS 192 Ca -0.10 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.40 3h2i n HIS 192 Cb 0.90 0.00 0.07 0.00 1.12 0.00 0.00 29.99 32.07 3h2i n HIS 192 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3h2i n LEU 193 N -0.24 1.26 -0.14 2.41 4.77 0.27 -4.86 117.00 120.48 3h2i n LEU 193 Ca 0.00 -2.28 0.20 0.00 -0.03 0.00 0.00 56.01 53.90 3h2i n LEU 193 Cb 0.06 -0.15 0.61 0.00 -2.33 0.00 0.00 43.42 41.62 3h2i n LEU 193 CO 0.00 0.65 1.22 0.28 -1.33 0.00 0.00 177.39 178.21 3h2i h SER 194 N 0.71 0.20 -0.01 -1.43 0.02 -1.58 -0.22 113.55 111.25 3h2i h SER 194 Ca -0.12 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.83 3h2i h SER 194 Cb 1.54 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 64.06 3h2i h SER 194 CO 0.05 0.09 -0.08 0.50 -1.14 0.00 0.00 176.83 176.25 3h2i h LYS 195 N 0.20 0.07 -0.34 3.45 3.11 -1.89 -3.33 116.57 117.84 3h2i h LYS 195 Ca 0.37 -0.06 -0.11 0.00 -2.81 0.00 0.00 60.65 58.04 3h2i h LYS 195 Cb 1.16 0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 32.39 3h2i h LYS 195 CO -0.07 0.78 -0.24 1.49 -2.81 0.00 0.00 179.45 178.60 3h2i h GLU 196 N -0.63 0.67 -4.68 1.90 4.81 -1.81 -3.39 114.58 111.45 3h2i h GLU 196 Ca -0.01 -0.27 -0.65 0.00 -0.13 0.00 0.00 59.36 58.30 3h2i h GLU 196 Cb 0.81 -0.03 -0.38 0.00 0.63 0.00 0.00 28.75 29.77 3h2i h GLU 196 CO 0.02 0.85 -0.77 -0.06 -0.73 0.00 0.00 179.01 178.31 3h2i s PHE 197 N -4.55 3.24 -1.24 0.92 0.08 -0.14 -5.03 117.98 111.25 3h2i s PHE 197 Ca -0.08 -2.45 -0.19 0.00 0.12 0.00 0.00 56.93 54.33 3h2i s PHE 197 Cb 0.13 -2.20 0.06 0.00 -0.57 0.00 0.00 43.02 40.44 3h2i s PHE 197 CO 0.82 -0.89 1.69 -1.58 -0.10 0.00 0.00 175.22 175.16 3h2i s HIS 198 N 1.10 2.72 -0.24 0.36 5.65 -1.25 -4.40 115.29 119.22 3h2i s HIS 198 Ca -0.01 -1.44 -0.29 0.00 0.25 0.00 0.00 55.06 53.57 3h2i s HIS 198 Cb -0.19 -4.73 -0.02 0.00 -1.18 0.00 0.00 32.58 26.46 3h2i s HIS 198 CO -0.07 -1.82 1.49 -1.17 -0.65 0.00 0.00 174.74 172.52 3h2i s LEU 199 N 4.51 3.93 -0.01 8.88 2.96 -1.26 -1.27 118.68 136.41 3h2i s LEU 199 Ca 0.53 1.52 0.11 0.00 -0.22 0.00 0.00 54.13 56.06 3h2i s LEU 199 Cb 0.03 -3.54 -0.15 0.00 0.50 0.00 0.00 46.19 43.04 3h2i s LEU 199 CO 0.05 -1.15 0.33 1.33 -1.32 0.00 0.00 176.35 175.59 3h2i n VAL 200 N 6.23 0.00 -3.60 1.68 0.24 -0.11 -4.89 118.33 117.88 3h2i n VAL 200 Ca 0.17 -0.25 -0.16 0.00 -2.04 0.00 0.00 64.34 62.06 3h2i n VAL 200 Cb 0.46 0.56 -0.07 0.00 -1.47 0.00 0.00 33.84 33.32 3h2i n VAL 200 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3h2i s ALA 201 N -2.45 -1.64 -0.04 2.33 0.00 -1.25 -4.32 121.76 114.40 3h2i s ALA 201 Ca -0.01 1.52 -0.00 0.00 0.00 0.00 0.00 51.96 53.47 3h2i s ALA 201 Cb 0.07 -0.52 0.03 0.00 0.00 0.00 0.00 23.12 22.70 3h2i s ALA 201 CO 0.45 -0.34 0.01 0.45 0.00 0.00 0.00 175.76 176.33 3h2i s SER 202 N -0.46 0.74 -0.49 0.00 0.15 -0.92 -1.64 113.70 111.08 3h2i s SER 202 Ca -0.06 -0.03 0.07 0.00 0.70 0.00 0.00 55.95 56.64 3h2i s SER 202 Cb -0.03 -0.26 0.25 0.00 -1.71 0.00 0.00 66.02 64.28 3h2i s SER 202 CO 0.05 -0.13 0.61 0.00 1.20 0.00 0.00 173.24 174.97 3h2i n ALA 203 N 4.46 3.07 -1.79 5.45 0.00 0.21 -1.30 120.51 130.62 3h2i n ALA 203 Ca -0.20 -3.94 -0.42 0.00 0.00 0.00 0.00 53.44 48.88 3h2i n ALA 203 Cb 0.50 -0.85 -0.03 0.00 0.00 0.00 0.00 19.45 19.08 3h2i n ALA 203 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3h2i s PRO 204 N -1.71 4.15 -0.21 0.00 0.02 -1.24 -3.81 135.00 132.19 3h2i s PRO 204 Ca 0.37 2.54 -0.04 0.00 0.02 0.00 0.00 61.00 63.89 3h2i s PRO 204 Cb 0.17 -3.08 -0.01 0.00 0.02 0.00 0.00 34.50 31.59 3h2i s PRO 204 CO -0.07 -0.68 -0.04 0.42 -0.33 0.00 0.00 177.00 176.30 3h2i s ILE 205 N 0.85 3.48 -1.61 2.83 1.01 0.18 -2.16 121.20 125.79 3h2i s ILE 205 Ca 0.70 -0.46 -0.10 0.00 0.00 0.00 0.00 60.65 60.79 3h2i s ILE 205 Cb -0.48 -2.58 0.09 0.00 0.01 0.00 0.00 42.46 39.51 3h2i s ILE 205 CO 0.36 0.43 0.49 -1.20 0.00 0.00 0.00 174.94 175.02 3h2i n SER 206 N 4.59 -1.33 -4.95 3.58 7.64 -0.08 -0.82 113.62 122.26 3h2i n SER 206 Ca -0.18 -1.10 -0.25 0.00 1.01 0.00 0.00 58.87 58.35 3h2i n SER 206 Cb 0.51 -2.46 -0.03 0.00 -1.01 0.00 0.00 64.21 61.22 3h2i n SER 206 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3h2i s GLY 207 N -3.84 1.63 -1.30 0.23 0.00 -1.26 -3.56 107.32 99.22 3h2i s GLY 207 Ca 0.38 -1.05 -0.09 0.00 0.00 0.00 0.00 44.72 43.96 3h2i s GLY 207 CO 0.94 -1.04 2.00 -1.55 0.00 0.00 0.00 173.10 173.45 3h2i n PRO 208 N -0.71 3.75 -0.26 2.90 -0.04 -1.26 -4.73 135.00 134.64 3h2i n PRO 208 Ca -0.07 -3.45 0.06 0.00 -0.04 0.00 0.00 63.50 60.00 3h2i n PRO 208 Cb 0.54 -2.89 0.29 0.00 -0.04 0.00 0.00 33.50 31.41 3h2i n PRO 208 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 3h2i h TYR 209 N 5.55 0.93 -2.61 0.54 0.05 -1.94 -1.72 116.97 117.77 3h2i h TYR 209 Ca 0.46 0.02 -0.80 0.00 0.05 0.00 0.00 58.73 58.47 3h2i h TYR 209 Cb 0.57 -0.30 -0.25 0.00 1.01 0.00 0.00 36.73 37.75 3h2i h TYR 209 CO 1.33 0.47 1.04 0.00 -1.05 0.00 0.00 178.16 179.95 3h2i n ALA 210 N -2.42 5.18 0.10 3.88 0.00 -1.26 -1.23 120.51 124.76 3h2i n ALA 210 Ca 0.13 -4.70 -0.12 0.00 0.00 0.00 0.00 53.44 48.76 3h2i n ALA 210 Cb 0.25 -2.49 -0.06 0.00 0.00 0.00 0.00 19.45 17.15 3h2i n ALA 210 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3h2i h LEU 211 N 6.03 -0.51 -0.57 0.00 5.85 -1.60 0.15 115.31 124.66 3h2i h LEU 211 Ca 0.24 0.06 0.00 0.00 0.84 0.00 0.00 57.88 59.02 3h2i h LEU 211 Cb 0.63 0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.82 3h2i h LEU 211 CO 1.38 -0.26 0.36 -0.08 -0.34 0.00 0.00 178.44 179.50 3h2i h GLU 212 N -0.35 0.77 -0.70 1.25 4.81 -1.88 -2.67 114.58 115.81 3h2i h GLU 212 Ca 0.03 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3h2i h GLU 212 Cb 0.37 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.55 3h2i h GLU 212 CO -0.10 0.54 0.44 0.37 -0.73 0.00 0.00 179.01 179.53 3h2i h GLN 213 N 0.77 0.94 -0.29 1.92 4.15 -1.89 -1.87 115.11 118.84 3h2i h GLN 213 Ca 0.21 -0.07 0.04 0.00 0.77 0.00 0.00 58.65 59.60 3h2i h GLN 213 Cb -0.04 -0.20 -0.04 0.00 0.21 0.00 0.00 27.48 27.40 3h2i h GLN 213 CO -0.04 0.65 0.04 1.15 -1.93 0.00 0.00 178.83 178.71 3h2i h THR 214 N 0.96 0.84 -0.50 2.39 2.02 -0.38 -0.84 112.91 117.39 3h2i h THR 214 Ca 0.25 -0.05 -0.07 0.00 0.77 0.00 0.00 66.41 67.31 3h2i h THR 214 Cb -0.06 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 3h2i h THR 214 CO -0.05 0.03 0.03 -0.26 0.37 0.00 0.00 175.52 175.64 3h2i h PHE 215 N 0.14 0.94 -0.82 3.16 -1.00 -1.26 -2.66 116.94 115.45 3h2i h PHE 215 Ca 0.14 -0.15 -0.02 0.00 2.81 0.00 0.00 57.97 60.75 3h2i h PHE 215 Cb 0.15 -0.25 -0.04 0.00 3.61 0.00 0.00 35.95 39.43 3h2i h PHE 215 CO -0.18 0.87 0.45 -0.07 -1.61 0.00 0.00 178.31 177.77 3h2i h LEU 216 N 0.74 1.02 -0.84 1.54 3.38 -1.07 0.66 115.31 120.72 3h2i h LEU 216 Ca 0.15 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.91 3h2i h LEU 216 Cb 0.47 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3h2i h LEU 216 CO 0.02 0.82 -0.34 0.44 0.09 0.00 0.00 178.44 179.47 3h2i h ASP 217 N 1.13 0.48 -0.26 -0.43 3.32 -1.08 -3.20 116.42 116.38 3h2i h ASP 217 Ca 0.29 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 57.15 3h2i h ASP 217 Cb 0.03 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.45 3h2i h ASP 217 CO -0.05 0.79 0.00 -1.20 -1.72 0.00 0.00 179.24 177.06 3h2i n SER 218 N -4.07 3.15 -0.35 6.45 7.64 -1.01 -4.35 113.62 121.09 3h2i n SER 218 Ca -0.01 -1.93 0.16 0.00 1.01 0.00 0.00 58.87 58.10 3h2i n SER 218 Cb 0.46 -0.17 0.37 0.00 -1.01 0.00 0.00 64.21 63.86 3h2i n SER 218 CO 0.00 0.00 0.00 -0.25 -3.01 0.00 0.00 175.04 171.78 3h2i h TRP 219 N 4.07 1.01 0.00 1.43 -0.00 -0.86 0.60 115.95 122.21 3h2i h TRP 219 Ca 0.00 0.04 -0.01 0.00 -0.00 0.00 0.00 58.89 58.92 3h2i h TRP 219 Cb 0.91 -0.29 -0.00 0.00 -0.00 0.00 0.00 29.16 29.78 3h2i h TRP 219 CO 0.17 0.10 -0.03 0.66 -0.00 0.00 0.00 178.44 179.33 3h2i h SER 220 N 0.62 0.00 0.00 2.65 4.64 -1.83 -3.45 113.55 116.17 3h2i h SER 220 Ca 0.63 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.95 3h2i h SER 220 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 3h2i h SER 220 CO -0.46 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 176.15 3h2i n GLY 221 N -0.44 1.05 3.42 -0.77 0.00 0.20 -4.96 105.19 103.69 3h2i n GLY 221 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 3h2i n GLY 221 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3h2i s SER 222 N -0.99 -0.56 0.37 1.61 1.04 -1.22 -1.09 113.70 112.86 3h2i s SER 222 Ca 0.00 0.02 0.04 0.00 0.48 0.00 0.00 55.95 56.50 3h2i s SER 222 Cb 0.00 0.59 -0.03 0.00 0.10 0.00 0.00 66.02 66.68 3h2i s SER 222 CO 0.00 -0.94 0.17 0.54 0.98 0.00 0.00 173.24 173.99 3h2i s ASN 223 N -2.67 2.25 0.55 7.02 2.20 -0.02 -4.35 114.94 119.92 3h2i s ASN 223 Ca 0.00 -1.66 0.40 0.00 -0.94 0.00 0.00 52.86 50.66 3h2i s ASN 223 Cb -0.01 0.49 1.57 0.00 -2.00 0.00 0.00 41.25 41.30 3h2i s ASN 223 CO -0.12 -0.95 1.71 0.00 -2.94 0.00 0.00 177.10 174.80 3h2i h ALA 224 N 1.97 3.31 0.20 3.54 0.00 -1.98 -1.24 119.26 125.06 3h2i h ALA 224 Ca -0.33 -0.05 -0.31 0.00 0.00 0.00 0.00 54.91 54.23 3h2i h ALA 224 Cb 1.26 0.10 0.02 0.00 0.00 0.00 0.00 17.79 19.17 3h2i h ALA 224 CO 0.51 -1.76 -1.45 0.28 0.00 0.00 0.00 179.25 176.83 3h2i h VAL 225 N 0.00 1.18 0.00 0.00 2.07 -1.92 -3.51 116.25 114.07 3h2i h VAL 225 Ca 0.66 -2.57 0.00 0.00 0.82 0.00 0.00 66.70 65.61 3h2i h VAL 225 Cb 2.73 2.94 0.00 0.00 -1.52 0.00 0.00 31.29 35.44 3h2i h VAL 225 CO -0.01 0.80 0.00 0.61 0.02 0.00 0.00 177.57 178.99 3h2i n GLY 226 N 1.76 -0.54 3.71 2.17 0.00 -0.47 -4.70 105.19 107.13 3h2i n GLY 226 Ca -0.20 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 44.61 3h2i n GLY 226 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3h2i s GLU 227 N -0.73 4.42 -1.50 1.61 2.12 -1.26 -0.84 118.70 122.51 3h2i s GLU 227 Ca 0.00 1.80 -0.09 0.00 0.36 0.00 0.00 54.97 57.03 3h2i s GLU 227 Cb 0.00 -3.35 0.01 0.00 0.26 0.00 0.00 34.13 31.04 3h2i s GLU 227 CO 0.00 -0.29 2.61 1.87 -0.54 0.00 0.00 175.26 178.92 3h2i n TRP 228 N 4.01 2.68 -0.29 5.30 -0.00 -0.25 -4.28 117.44 124.61 3h2i n TRP 228 Ca 0.09 -2.98 0.10 0.00 -0.00 0.00 0.00 57.50 54.71 3h2i n TRP 228 Cb 0.46 -2.29 0.23 0.00 -0.00 0.00 0.00 31.31 29.71 3h2i n TRP 228 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 177.69 178.84 3h2i h THR 229 N 3.11 0.24 -0.47 5.87 2.02 -1.89 -0.86 112.91 120.93 3h2i h THR 229 Ca 0.75 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.89 3h2i h THR 229 Cb 0.37 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 3h2i h THR 229 CO 1.71 0.02 0.00 0.49 0.37 0.00 0.00 175.52 178.11 3h2i n PHE 230 N -5.36 0.63 -0.14 3.16 3.72 -1.26 -4.35 117.46 113.86 3h2i n PHE 230 Ca 0.18 -0.31 0.16 0.00 -0.05 0.00 0.00 57.45 57.43 3h2i n PHE 230 Cb 0.61 0.00 0.53 0.00 -0.94 0.00 0.00 39.48 39.68 3h2i n PHE 230 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3h2i h GLY 231 N 4.94 0.59 1.15 1.37 0.00 -1.55 -1.35 103.07 108.23 3h2i h GLY 231 Ca 0.00 -0.15 -0.16 0.00 0.00 0.00 0.00 47.33 47.02 3h2i h GLY 231 CO 0.00 0.05 -0.38 -2.22 0.00 0.00 0.00 176.54 173.99 3h2i h ILE 232 N 0.35 1.27 -0.16 2.60 1.08 -1.81 0.20 117.51 121.04 3h2i h ILE 232 Ca 0.35 -1.55 -0.08 0.00 -0.39 0.00 0.00 64.86 63.19 3h2i h ILE 232 Cb 0.87 1.37 -0.00 0.00 -3.07 0.00 0.00 36.82 36.00 3h2i h ILE 232 CO -0.10 0.52 -0.20 -0.07 -0.69 0.00 0.00 178.15 177.61 3h2i h LEU 233 N 0.76 0.45 -0.26 1.44 3.38 -1.71 -2.47 115.31 116.90 3h2i h LEU 233 Ca 0.06 -0.50 -0.21 0.00 0.09 0.00 0.00 57.88 57.32 3h2i h LEU 233 Cb 0.97 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.60 3h2i h LEU 233 CO 0.09 0.86 -0.78 -0.07 0.09 0.00 0.00 178.44 178.64 3h2i h LEU 234 N 0.05 0.72 -0.60 1.67 3.38 -1.28 -2.65 115.31 116.60 3h2i h LEU 234 Ca 0.02 -0.48 -0.12 0.00 0.09 0.00 0.00 57.88 57.39 3h2i h LEU 234 Cb 0.75 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 3h2i h LEU 234 CO 0.05 1.26 -0.23 1.23 0.09 0.00 0.00 178.44 180.84 3h2i h GLY 235 N 0.91 0.94 1.35 0.83 0.00 -0.68 -1.40 103.07 105.03 3h2i h GLY 235 Ca -0.05 -0.83 -0.14 0.00 0.00 0.00 0.00 47.33 46.31 3h2i h GLY 235 CO 0.15 0.75 -0.40 1.76 0.00 0.00 0.00 176.54 178.80 3h2i h SER 236 N 0.75 0.76 -0.30 0.19 0.02 -1.48 0.18 113.55 113.66 3h2i h SER 236 Ca 0.10 -0.34 -0.03 0.00 -0.84 0.00 0.00 61.79 60.67 3h2i h SER 236 Cb 0.77 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.09 3h2i h SER 236 CO 0.06 1.07 0.06 0.22 -1.14 0.00 0.00 176.83 177.09 3h2i h TYR 237 N 0.58 0.53 -0.35 3.45 -0.00 -1.38 -0.59 116.97 119.20 3h2i h TYR 237 Ca 0.05 -0.07 -0.02 0.00 -0.00 0.00 0.00 58.73 58.69 3h2i h TYR 237 Cb 0.94 -0.15 -0.02 0.00 -0.00 0.00 0.00 36.73 37.51 3h2i h TYR 237 CO 0.05 0.57 0.15 0.00 -0.00 0.00 0.00 178.16 178.93 3h2i h ALA 238 N 0.89 0.46 0.15 1.82 0.00 -1.03 0.43 119.26 121.98 3h2i h ALA 238 Ca 0.09 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3h2i h ALA 238 Cb 0.33 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3h2i h ALA 238 CO 0.00 0.04 -0.07 0.82 0.00 0.00 0.00 179.25 180.04 3h2i h ILE 239 N 0.43 0.89 0.01 0.00 2.04 -0.53 -0.13 117.51 120.22 3h2i h ILE 239 Ca 0.12 -0.17 0.01 0.00 1.00 0.00 0.00 64.86 65.82 3h2i h ILE 239 Cb 0.16 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 3h2i h ILE 239 CO -0.01 0.04 -0.08 0.58 0.00 0.00 0.00 178.15 178.68 3h2i h VAL 240 N -0.29 0.79 -0.52 1.67 2.07 -1.05 -1.42 116.25 117.50 3h2i h VAL 240 Ca -0.02 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.53 3h2i h VAL 240 Cb 0.23 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 3h2i h VAL 240 CO 0.03 0.00 0.29 0.00 0.02 0.00 0.00 177.57 177.92 3h2i h ALA 241 N 0.82 0.67 0.00 1.67 0.00 -0.83 -1.71 119.26 119.88 3h2i h ALA 241 Ca 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3h2i h ALA 241 Cb 0.18 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3h2i h ALA 241 CO -0.07 -0.02 -0.21 0.52 0.00 0.00 0.00 179.25 179.46 3h2i h MET 242 N 0.58 0.00 -0.18 0.00 2.07 -0.83 -1.52 114.93 115.05 3h2i h MET 242 Ca 0.22 0.00 -0.10 0.00 -2.07 0.00 0.00 59.70 57.74 3h2i h MET 242 Cb 0.07 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 29.80 3h2i h MET 242 CO -0.12 0.21 -0.29 0.37 1.07 0.00 0.00 176.91 178.15 3h2i h GLN 243 N 0.00 0.51 -0.81 1.72 5.75 -0.47 0.45 115.11 122.27 3h2i h GLN 243 Ca -0.00 -0.31 -0.01 0.00 -0.15 0.00 0.00 58.65 58.17 3h2i h GLN 243 Cb 0.40 0.03 -0.04 0.00 1.07 0.00 0.00 27.48 28.94 3h2i h GLN 243 CO 0.03 0.91 0.46 0.45 -2.65 0.00 0.00 178.83 178.03 3h2i h HIS 244 N 0.16 1.08 0.02 3.99 3.86 -0.83 0.87 115.15 124.31 3h2i h HIS 244 Ca 0.01 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3h2i h HIS 244 Cb 0.87 -0.35 0.00 0.00 1.06 0.00 0.00 27.41 28.99 3h2i h HIS 244 CO 0.09 0.74 -0.01 1.15 0.86 0.00 0.00 177.93 180.76 3h2i h THR 245 N 1.12 1.46 0.00 2.45 2.02 -1.22 -3.39 112.91 115.35 3h2i h THR 245 Ca 0.29 -1.74 0.00 0.00 0.77 0.00 0.00 66.41 65.73 3h2i h THR 245 Cb -0.01 2.58 0.00 0.00 -1.74 0.00 0.00 68.15 68.99 3h2i h THR 245 CO -0.05 0.43 -1.76 -1.22 0.37 0.00 0.00 175.52 173.29 3h2i n TYR 246 N -4.74 0.00 -4.13 3.16 4.02 0.14 -5.00 117.16 110.61 3h2i n TYR 246 Ca -0.09 0.00 -0.34 0.00 -0.01 0.00 0.00 57.90 57.46 3h2i n TYR 246 Cb 0.36 -0.39 -0.01 0.00 -0.02 0.00 0.00 39.34 39.27 3h2i n TYR 246 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 3h2i n LYS 247 N -2.08 -3.72 0.00 -0.72 5.02 0.30 -4.84 118.16 112.11 3h2i n LYS 247 Ca -0.03 0.43 0.00 0.00 -2.02 0.00 0.00 58.31 56.69 3h2i n LYS 247 Cb 0.49 -5.14 0.00 0.00 -0.02 0.00 0.00 35.03 30.36 3h2i n LYS 247 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 3h2i n ASN 248 N -2.73 1.33 -0.09 4.39 6.94 -1.26 -4.81 115.26 119.02 3h2i n ASN 248 Ca 0.03 -1.57 -0.23 0.00 -0.02 0.00 0.00 54.58 52.79 3h2i n ASN 248 Cb 0.52 0.00 -0.12 0.00 -2.36 0.00 0.00 39.78 37.82 3h2i n ASN 248 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 3h2i n ILE 249 N -0.28 1.58 -3.76 1.53 5.41 -1.26 -4.72 119.36 117.86 3h2i n ILE 249 Ca 0.00 -0.29 -0.10 0.00 1.00 0.00 0.00 62.75 63.36 3h2i n ILE 249 Cb 0.25 -1.89 -0.07 0.00 -0.71 0.00 0.00 39.64 37.22 3h2i n ILE 249 CO 0.00 0.00 0.00 -0.72 0.00 0.00 0.00 176.55 175.83 3h2i s TYR 250 N -2.45 -0.05 0.07 1.39 -0.85 -1.26 -4.97 117.35 109.22 3h2i s TYR 250 Ca -0.31 -0.21 -0.05 0.00 -0.52 0.00 0.00 57.07 55.99 3h2i s TYR 250 Cb 0.09 0.09 -0.29 0.00 0.38 0.00 0.00 41.96 42.22 3h2i s TYR 250 CO 0.60 -0.56 1.10 1.25 -1.52 0.00 0.00 175.55 176.43 3h2i h LEU 251 N 2.90 0.45 -7.22 -3.49 5.85 -1.96 -3.47 115.31 108.37 3h2i h LEU 251 Ca -0.33 -0.49 -0.09 0.00 0.84 0.00 0.00 57.88 57.81 3h2i h LEU 251 Cb 1.21 -0.15 -0.20 0.00 0.37 0.00 0.00 40.66 41.90 3h2i h LEU 251 CO 0.49 1.39 -0.03 -1.83 -0.34 0.00 0.00 178.44 178.12 3h2i s GLU 252 N -2.65 0.85 0.54 1.25 4.04 -1.26 -5.05 118.70 116.42 3h2i s GLU 252 Ca -0.05 0.16 0.49 0.00 0.04 0.00 0.00 54.97 55.61 3h2i s GLU 252 Cb 0.07 0.39 1.69 0.00 0.02 0.00 0.00 34.13 36.30 3h2i s GLU 252 CO 0.89 -0.24 1.53 -2.30 -1.84 0.00 0.00 175.26 173.30 3h2i n PRO 253 N 1.33 -0.00 0.30 -4.83 -0.02 -1.26 -1.79 135.00 128.73 3h2i n PRO 253 Ca -0.19 1.07 0.18 0.00 -2.02 0.00 0.00 63.50 62.54 3h2i n PRO 253 Cb 0.56 -2.45 0.97 0.00 -0.02 0.00 0.00 33.50 32.57 3h2i n PRO 253 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3h2i h GLY 254 N 0.00 0.00 2.00 -1.23 0.00 -1.87 -0.07 103.07 101.91 3h2i h GLY 254 Ca 0.92 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.25 3h2i h GLY 254 CO -0.03 0.00 0.00 1.46 0.00 0.00 0.00 176.54 177.97 3h2i h GLN 255 N 0.00 0.00 0.00 4.80 4.20 -1.77 -3.37 115.11 118.97 3h2i h GLN 255 Ca -0.00 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.58 3h2i h GLN 255 Cb 0.17 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 3h2i h GLN 255 CO 0.00 0.00 -1.46 0.28 -0.67 0.00 0.00 178.83 176.98 3h2i n VAL 256 N -2.79 0.46 -4.06 -0.54 0.31 -0.86 -4.67 118.33 106.18 3h2i n VAL 256 Ca 0.03 -0.14 -0.33 0.00 -0.01 0.00 0.00 64.34 63.89 3h2i n VAL 256 Cb 0.38 -1.26 -0.07 0.00 -0.91 0.00 0.00 33.84 31.99 3h2i n VAL 256 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 3h2i s PHE 257 N -2.16 3.34 0.67 3.52 0.40 -0.10 -0.15 117.98 123.51 3h2i s PHE 257 Ca -0.11 0.25 -0.09 0.00 -0.60 0.00 0.00 56.93 56.37 3h2i s PHE 257 Cb 0.04 -1.76 0.02 0.00 0.51 0.00 0.00 43.02 41.82 3h2i s PHE 257 CO 0.16 0.57 1.02 -0.65 0.70 0.00 0.00 175.22 177.03 3h2i s GLN 258 N -1.72 2.80 0.54 0.44 -0.21 0.14 -4.37 119.66 117.28 3h2i s GLN 258 Ca 0.23 0.22 -0.17 0.00 0.02 0.00 0.00 55.36 55.66 3h2i s GLN 258 Cb -0.12 -2.12 -0.06 0.00 1.00 0.00 0.00 33.01 31.70 3h2i s GLN 258 CO 0.14 -0.95 1.02 0.16 -2.12 0.00 0.00 175.29 173.54 3h2i s ASP 259 N -4.36 6.25 -0.01 5.90 -4.77 -1.26 -1.88 116.67 116.54 3h2i s ASP 259 Ca 0.57 1.72 0.14 0.00 -3.30 0.00 0.00 52.55 51.67 3h2i s ASP 259 Cb -0.11 -2.53 0.41 0.00 -1.09 0.00 0.00 42.92 39.61 3h2i s ASP 259 CO 0.49 -0.84 1.33 -0.81 0.70 0.00 0.00 175.17 176.04 3h2i n PRO 260 N -1.66 2.14 0.01 2.11 -0.04 -1.26 -4.88 135.00 131.42 3h2i n PRO 260 Ca 0.08 -1.66 -0.13 0.00 -0.04 0.00 0.00 63.50 61.75 3h2i n PRO 260 Cb 0.53 -1.39 -0.09 0.00 -0.04 0.00 0.00 33.50 32.51 3h2i n PRO 260 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 3h2i h TRP 261 N 2.66 -0.00 -0.78 0.54 4.06 -1.82 -3.27 115.95 117.33 3h2i h TRP 261 Ca 0.00 -0.00 0.16 0.00 2.06 0.00 0.00 58.89 61.11 3h2i h TRP 261 Cb 0.66 0.00 -0.15 0.00 -1.00 0.00 0.00 29.16 28.67 3h2i h TRP 261 CO 0.33 0.31 -0.17 0.00 -3.56 0.00 0.00 178.44 175.35 3h2i n ALA 262 N -2.25 0.21 0.80 1.49 0.00 -0.79 0.96 120.51 120.93 3h2i n ALA 262 Ca -0.08 0.86 0.10 0.00 0.00 0.00 0.00 53.44 54.31 3h2i n ALA 262 Cb 0.17 -0.53 0.46 0.00 0.00 0.00 0.00 19.45 19.55 3h2i n ALA 262 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h2i n ALA 263 N -3.67 1.97 -0.11 0.00 0.00 -1.23 -3.44 120.51 114.03 3h2i n ALA 263 Ca 0.13 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3h2i n ALA 263 Cb 0.41 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.54 3h2i n ALA 263 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3h2i n LYS 264 N -1.40 1.51 -0.05 0.00 2.85 0.27 -4.82 118.16 116.52 3h2i n LYS 264 Ca 0.07 -0.27 -0.13 0.00 -1.05 0.00 0.00 58.31 56.94 3h2i n LYS 264 Cb 0.20 -0.74 -0.07 0.00 -0.65 0.00 0.00 35.03 33.77 3h2i n LYS 264 CO 0.00 0.00 0.00 -0.24 -0.05 0.00 0.00 177.40 177.11 3h2i h VAL 265 N 0.11 1.33 -0.76 0.58 3.04 -1.09 -3.30 116.25 116.16 3h2i h VAL 265 Ca 0.00 -1.19 -0.05 0.00 -1.01 0.00 0.00 66.70 64.45 3h2i h VAL 265 Cb 0.06 1.79 -0.03 0.00 -2.01 0.00 0.00 31.29 31.09 3h2i h VAL 265 CO 0.00 0.35 0.27 -0.33 -1.01 0.00 0.00 177.57 176.85 3h2i h GLU 266 N -0.02 1.16 0.00 4.17 5.08 -1.87 -2.60 114.58 120.51 3h2i h GLU 266 Ca 0.03 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 3h2i h GLU 266 Cb 0.59 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.66 3h2i h GLU 266 CO 0.03 0.96 0.00 -2.30 -1.00 0.00 0.00 179.01 176.70 3h2i n PRO 267 N -4.26 0.14 0.12 2.33 -0.02 -1.25 -2.62 135.00 129.44 3h2i n PRO 267 Ca 0.07 0.45 0.07 0.00 -2.02 0.00 0.00 63.50 62.06 3h2i n PRO 267 Cb 0.21 -1.81 0.03 0.00 -0.02 0.00 0.00 33.50 31.91 3h2i n PRO 267 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3h2i h LEU 268 N 0.00 0.00 -7.23 2.45 3.38 -1.53 -3.35 115.31 109.02 3h2i h LEU 268 Ca 0.00 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.34 3h2i h LEU 268 Cb 0.25 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 40.59 3h2i h LEU 268 CO 0.00 0.26 -0.69 -0.36 0.09 0.00 0.00 178.44 177.74 3h2i s PHE 269 N -3.13 2.64 0.65 1.13 0.08 -1.08 -2.50 117.98 115.79 3h2i s PHE 269 Ca 0.02 -2.75 -0.03 0.00 0.12 0.00 0.00 56.93 54.28 3h2i s PHE 269 Cb 0.08 -2.37 0.06 0.00 -0.57 0.00 0.00 43.02 40.22 3h2i s PHE 269 CO 0.76 -0.79 0.93 -1.25 -0.10 0.00 0.00 175.22 174.77 3h2i s PRO 270 N 0.23 2.24 0.00 0.24 0.04 -1.26 -4.66 135.00 131.83 3h2i s PRO 270 Ca 0.16 -0.53 0.00 0.00 0.04 0.00 0.00 61.00 60.67 3h2i s PRO 270 Cb -0.24 -2.29 0.00 0.00 0.04 0.00 0.00 34.50 32.01 3h2i s PRO 270 CO -0.02 -1.09 0.00 0.41 0.04 0.00 0.00 177.00 176.34 3h2i n GLY 271 N -2.72 3.14 0.53 0.56 0.00 0.15 -4.76 105.19 102.09 3h2i n GLY 271 Ca 0.09 -0.27 0.09 0.00 0.00 0.00 0.00 46.02 45.93 3h2i n GLY 271 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3h2i n LYS 272 N 0.00 1.69 -4.57 1.61 4.76 -1.26 -1.44 118.16 118.95 3h2i n LYS 272 Ca 0.00 -1.05 -0.22 0.00 -2.87 0.00 0.00 58.31 54.17 3h2i n LYS 272 Cb 0.00 -1.36 -0.14 0.00 -1.84 0.00 0.00 35.03 31.69 3h2i n LYS 272 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 3h2i s GLN 273 N -1.75 1.13 0.61 1.97 -0.21 -1.26 -5.01 119.66 115.13 3h2i s GLN 273 Ca 0.30 -0.65 -0.07 0.00 0.02 0.00 0.00 55.36 54.95 3h2i s GLN 273 Cb 0.16 -1.12 0.00 0.00 1.00 0.00 0.00 33.01 33.05 3h2i s GLN 273 CO 0.23 0.30 0.94 -1.54 -2.12 0.00 0.00 175.29 173.10 3h2i s SER 274 N -0.71 5.66 0.37 5.90 1.04 -1.26 -2.95 113.70 121.74 3h2i s SER 274 Ca 0.04 0.86 0.04 0.00 0.48 0.00 0.00 55.95 57.37 3h2i s SER 274 Cb -0.07 -1.84 0.71 0.00 0.10 0.00 0.00 66.02 64.92 3h2i s SER 274 CO 0.00 -1.07 2.02 -0.07 0.98 0.00 0.00 173.24 175.11 3h2i h LEU 275 N -0.25 0.65 -0.66 2.42 3.38 -1.92 -1.72 115.31 117.21 3h2i h LEU 275 Ca -0.45 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.41 3h2i h LEU 275 Cb 1.25 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 3h2i h LEU 275 CO 0.61 0.46 0.01 0.74 0.09 0.00 0.00 178.44 180.35 3h2i h THR 276 N 0.76 1.26 0.48 0.22 2.02 -1.99 -1.16 112.91 114.50 3h2i h THR 276 Ca 0.22 -1.14 -0.01 0.00 0.77 0.00 0.00 66.41 66.25 3h2i h THR 276 Cb -0.04 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 3h2i h THR 276 CO -0.05 0.41 -0.37 0.44 0.37 0.00 0.00 175.52 176.33 3h2i h ASP 277 N 0.96 -0.95 -0.75 4.18 3.32 -1.70 -0.77 116.42 120.71 3h2i h ASP 277 Ca 0.17 0.07 0.13 0.00 0.02 0.00 0.00 57.03 57.43 3h2i h ASP 277 Cb 0.54 0.30 -0.09 0.00 0.22 0.00 0.00 39.33 40.30 3h2i h ASP 277 CO 0.03 -0.54 0.32 0.24 -1.72 0.00 0.00 179.24 177.57 3h2i h MET 278 N -0.83 0.46 -0.17 3.56 2.86 -1.28 -0.40 114.93 119.14 3h2i h MET 278 Ca -0.05 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.52 3h2i h MET 278 Cb 0.71 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 32.26 3h2i h MET 278 CO 0.00 0.31 -0.06 0.35 1.06 0.00 0.00 176.91 178.57 3h2i h PHE 279 N 0.48 0.38 -0.50 -0.22 3.57 -0.99 0.54 116.94 120.21 3h2i h PHE 279 Ca 0.41 -0.09 -0.12 0.00 3.53 0.00 0.00 57.97 61.70 3h2i h PHE 279 Cb 0.59 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 3h2i h PHE 279 CO -0.15 0.62 -0.15 -0.07 -2.23 0.00 0.00 178.31 176.34 3h2i h LEU 280 N 0.03 0.99 -2.46 0.59 -0.00 -0.76 -2.91 115.31 110.79 3h2i h LEU 280 Ca 0.04 -0.37 0.00 0.00 -0.00 0.00 0.00 57.88 57.55 3h2i h LEU 280 Cb 0.51 -0.27 0.00 0.00 -0.00 0.00 0.00 40.66 40.90 3h2i h LEU 280 CO 0.02 1.13 0.00 -0.46 -0.00 0.00 0.00 178.44 179.13 3h2i n ASN 281 N -4.17 3.74 -4.24 -0.43 6.94 -0.19 -4.94 115.26 111.97 3h2i n ASN 281 Ca 0.00 -2.41 -0.35 0.00 -0.02 0.00 0.00 54.58 51.80 3h2i n ASN 281 Cb 0.42 -0.53 -0.07 0.00 -2.36 0.00 0.00 39.78 37.24 3h2i n ASN 281 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 3h2i n ASP 282 N 0.64 -0.36 0.10 0.53 9.92 -0.78 -4.81 116.55 121.78 3h2i n ASP 282 Ca 0.19 -1.27 0.05 0.00 -0.53 0.00 0.00 54.79 53.22 3h2i n ASP 282 Cb 0.74 -1.56 0.47 0.00 -0.64 0.00 0.00 41.12 40.13 3h2i n ASP 282 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 3h2i h THR 283 N -1.96 1.10 -3.33 -3.53 2.02 -1.20 -3.42 112.91 102.58 3h2i h THR 283 Ca -0.66 -0.29 -0.54 0.00 0.77 0.00 0.00 66.41 65.68 3h2i h THR 283 Cb 1.38 0.81 -0.18 0.00 -1.74 0.00 0.00 68.15 68.42 3h2i h THR 283 CO 0.65 0.11 -0.79 -0.76 0.37 0.00 0.00 175.52 175.10 3h2i s LEU 284 N -9.20 2.43 0.77 2.58 1.43 -1.26 -5.07 118.68 110.35 3h2i s LEU 284 Ca -0.07 -0.85 -0.14 0.00 -1.03 0.00 0.00 54.13 52.05 3h2i s LEU 284 Cb 0.17 -0.88 0.06 0.00 0.03 0.00 0.00 46.19 45.57 3h2i s LEU 284 CO 0.72 -0.01 1.19 -2.16 0.23 0.00 0.00 176.35 176.32 3h2i s PRO 285 N -2.71 1.94 0.74 1.29 0.04 -1.26 -4.99 135.00 130.05 3h2i s PRO 285 Ca 0.16 1.68 -0.11 0.00 0.04 0.00 0.00 61.00 62.76 3h2i s PRO 285 Cb -0.06 -1.82 0.04 0.00 0.04 0.00 0.00 34.50 32.70 3h2i s PRO 285 CO 0.07 -1.97 1.08 -1.54 0.04 0.00 0.00 177.00 174.68 3h2i s SER 286 N -2.25 4.77 0.41 6.66 1.04 -1.26 -4.83 113.70 118.24 3h2i s SER 286 Ca 0.72 1.79 0.15 0.00 0.48 0.00 0.00 55.95 59.09 3h2i s SER 286 Cb -0.27 -2.52 1.02 0.00 0.10 0.00 0.00 66.02 64.35 3h2i s SER 286 CO 0.48 -1.85 1.89 -0.29 0.98 0.00 0.00 173.24 174.44 3h2i h ILE 287 N -0.92 0.76 -0.04 -1.02 6.09 -1.88 -0.84 117.51 119.67 3h2i h ILE 287 Ca -0.44 -0.16 0.01 0.00 -1.37 0.00 0.00 64.86 62.90 3h2i h ILE 287 Cb 1.23 0.25 -0.00 0.00 0.47 0.00 0.00 36.82 38.77 3h2i h ILE 287 CO 0.53 0.09 0.07 -2.24 -3.07 0.00 0.00 178.15 173.52 3h2i h ASP 288 N 0.47 0.00 -0.83 2.19 -0.00 -1.92 -0.81 116.42 115.53 3h2i h ASP 288 Ca 0.42 0.00 -0.33 0.00 -0.00 0.00 0.00 57.03 57.12 3h2i h ASP 288 Cb 0.94 0.00 -0.20 0.00 -0.00 0.00 0.00 39.33 40.07 3h2i h ASP 288 CO -0.16 0.00 0.41 0.29 -0.00 0.00 0.00 179.24 179.78 3h2i n LYS 289 N -3.46 3.12 -0.36 4.15 5.02 -0.32 -4.62 118.16 121.70 3h2i n LYS 289 Ca -0.02 -3.07 0.06 0.00 -2.02 0.00 0.00 58.31 53.26 3h2i n LYS 289 Cb 0.15 -2.19 0.23 0.00 -0.02 0.00 0.00 35.03 33.20 3h2i n LYS 289 CO 0.00 0.00 0.00 -0.24 -0.52 0.00 0.00 177.40 176.64 3h2i h VAL 290 N 1.99 0.98 0.00 -0.18 3.04 -1.27 -0.52 116.25 120.29 3h2i h VAL 290 Ca 0.41 -0.36 0.00 0.00 -1.01 0.00 0.00 66.70 65.74 3h2i h VAL 290 Cb 2.52 -0.16 0.00 0.00 -2.01 0.00 0.00 31.29 31.65 3h2i h VAL 290 CO 0.87 0.19 0.00 0.11 -1.01 0.00 0.00 177.57 177.73 3h2i h LYS 291 N 1.04 0.00 0.00 4.17 1.57 -1.85 -1.86 116.57 119.65 3h2i h LYS 291 Ca 0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.25 3h2i h LYS 291 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 3h2i h LYS 291 CO -0.23 0.00 -0.79 0.43 -0.57 0.00 0.00 179.45 178.29 3h2i n SER 292 N -2.77 0.63 -0.09 0.86 7.64 -0.25 -4.46 113.62 115.18 3h2i n SER 292 Ca 0.01 -0.26 -0.12 0.00 1.01 0.00 0.00 58.87 59.50 3h2i n SER 292 Cb 0.25 0.54 -0.06 0.00 -1.01 0.00 0.00 64.21 63.93 3h2i n SER 292 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3h2i n TYR 293 N -1.78 0.92 -3.17 1.43 9.36 -0.73 -4.72 117.16 118.48 3h2i n TYR 293 Ca 0.04 0.40 -0.35 0.00 3.32 0.00 0.00 57.90 61.31 3h2i n TYR 293 Cb 0.39 -0.91 -0.06 0.00 -0.63 0.00 0.00 39.34 38.14 3h2i n TYR 293 CO 0.00 0.00 0.00 -0.06 0.22 0.00 0.00 176.86 177.02 3h2i s PHE 294 N -2.31 3.55 0.41 2.98 0.08 -1.01 0.24 117.98 121.92 3h2i s PHE 294 Ca -0.21 1.26 -0.26 0.00 0.12 0.00 0.00 56.93 57.83 3h2i s PHE 294 Cb 0.04 -2.53 -0.09 0.00 -0.57 0.00 0.00 43.02 39.86 3h2i s PHE 294 CO 0.38 0.27 1.42 -0.65 -0.10 0.00 0.00 175.22 176.54 3h2i s GLN 295 N -2.32 3.89 0.18 0.44 -1.52 0.78 -4.71 119.66 116.40 3h2i s GLN 295 Ca 0.46 2.42 -0.14 0.00 -1.95 0.00 0.00 55.36 56.14 3h2i s GLN 295 Cb -0.14 -2.79 0.16 0.00 -0.22 0.00 0.00 33.01 30.02 3h2i s GLN 295 CO 0.20 -0.65 1.69 -1.35 -0.25 0.00 0.00 175.29 174.93 3h2i h PRO 296 N 2.64 0.11 0.12 2.91 0.11 -1.90 -0.56 132.00 135.42 3h2i h PRO 296 Ca -0.51 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.62 3h2i h PRO 296 Cb 1.25 -0.02 -0.04 0.00 0.11 0.00 0.00 31.00 32.30 3h2i h PRO 296 CO 0.62 0.07 -0.32 0.78 -0.21 0.00 0.00 178.00 178.95 3h2i h GLY 297 N 0.11 -0.61 0.98 -0.55 0.00 -1.93 -1.89 103.07 99.18 3h2i h GLY 297 Ca 0.23 0.38 0.00 0.00 0.00 0.00 0.00 47.33 47.95 3h2i h GLY 297 CO -0.38 -0.25 0.11 -2.75 0.00 0.00 0.00 176.54 173.28 3h2i h PHE 298 N -0.54 0.22 -0.82 5.60 3.57 -1.78 -1.02 116.94 122.16 3h2i h PHE 298 Ca 0.03 0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.65 3h2i h PHE 298 Cb 0.58 -0.07 -0.06 0.00 2.79 0.00 0.00 35.95 39.19 3h2i h PHE 298 CO -0.29 0.13 0.54 -0.92 -2.23 0.00 0.00 178.31 175.54 3h2i h TYR 299 N 0.24 0.78 0.16 0.41 3.20 -0.89 -1.95 116.97 118.90 3h2i h TYR 299 Ca 0.07 0.02 -0.33 0.00 3.14 0.00 0.00 58.73 61.63 3h2i h TYR 299 Cb -0.01 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.01 3h2i h TYR 299 CO -0.07 0.34 -1.68 0.66 -1.64 0.00 0.00 178.16 175.76 3h2i h SER 300 N 0.70 0.51 -0.59 -2.11 4.64 -1.14 -3.37 113.55 112.20 3h2i h SER 300 Ca 0.39 -0.77 -0.03 0.00 -0.47 0.00 0.00 61.79 60.91 3h2i h SER 300 Cb 0.55 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 62.44 3h2i h SER 300 CO -0.16 1.65 0.26 -0.78 -0.87 0.00 0.00 176.83 176.93 3h2i h ASP 301 N 0.09 0.82 0.07 4.97 3.58 -0.86 -3.20 116.42 121.90 3h2i h ASP 301 Ca -0.31 -0.10 0.02 0.00 0.42 0.00 0.00 57.03 57.05 3h2i h ASP 301 Cb 2.07 -0.21 -0.05 0.00 1.72 0.00 0.00 39.33 42.86 3h2i h ASP 301 CO 0.17 0.72 -0.53 0.15 -2.88 0.00 0.00 179.24 176.87 3h2i h PHE 302 N 0.89 -1.54 0.00 0.28 3.57 -1.52 0.12 116.94 118.74 3h2i h PHE 302 Ca 0.21 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.76 3h2i h PHE 302 Cb 0.15 0.66 0.00 0.00 2.79 0.00 0.00 35.95 39.55 3h2i h PHE 302 CO 0.01 -0.59 0.00 -1.00 -2.23 0.00 0.00 178.31 174.51 3h2i h PRO 303 N -0.72 0.00 -0.02 6.41 0.13 -1.77 -3.23 132.00 132.80 3h2i h PRO 303 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3h2i h PRO 303 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 3h2i h PRO 303 CO -0.31 0.00 -0.01 -1.13 -0.23 0.00 0.00 178.00 176.31 3h2i n SER 304 N -3.00 2.41 -3.64 1.44 3.41 -0.98 -4.87 113.62 108.39 3h2i n SER 304 Ca 0.01 -1.70 -0.28 0.00 -0.26 0.00 0.00 58.87 56.63 3h2i n SER 304 Cb 0.30 0.02 -0.16 0.00 -0.26 0.00 0.00 64.21 64.12 3h2i n SER 304 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3h2i s ASN 305 N -1.46 3.36 0.63 4.04 2.47 0.38 -4.99 114.94 119.37 3h2i s ASN 305 Ca 0.20 -1.18 0.39 0.00 0.42 0.00 0.00 52.86 52.68 3h2i s ASN 305 Cb 0.14 -0.51 2.11 0.00 -1.45 0.00 0.00 41.25 41.54 3h2i s ASN 305 CO 0.22 -0.39 2.28 1.55 -3.72 0.00 0.00 177.10 177.05 3h2i h PRO 306 N 8.30 0.00 -0.01 0.43 0.13 -1.85 -0.25 132.00 138.75 3h2i h PRO 306 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 3h2i h PRO 306 Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 3h2i h PRO 306 CO 0.41 0.01 -0.02 0.00 -0.23 0.00 0.00 178.00 178.16 3h2i n ALA 307 N -2.15 2.66 -1.64 -0.56 0.00 -1.26 -4.14 120.51 113.42 3h2i n ALA 307 Ca -0.03 -0.30 -0.47 0.00 0.00 0.00 0.00 53.44 52.65 3h2i n ALA 307 Cb 0.11 -1.36 -0.04 0.00 0.00 0.00 0.00 19.45 18.17 3h2i n ALA 307 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3h2i n ASN 308 N -0.59 2.45 -0.13 0.00 5.15 -0.10 -4.78 115.26 117.25 3h2i n ASN 308 Ca 0.20 1.13 -0.04 0.00 -0.60 0.00 0.00 54.58 55.27 3h2i n ASN 308 Cb 0.23 -1.36 0.03 0.00 -0.53 0.00 0.00 39.78 38.15 3h2i n ASN 308 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 3h2i h PRO 309 N 4.47 0.10 -0.78 1.20 0.13 -1.89 -0.74 132.00 134.50 3h2i h PRO 309 Ca -0.45 -0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 64.64 3h2i h PRO 309 Cb 1.29 -0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.36 3h2i h PRO 309 CO 0.78 0.07 0.35 0.35 -0.23 0.00 0.00 178.00 179.32 3h2i h PHE 310 N 0.11 1.14 -0.64 1.56 3.57 -1.89 -1.66 116.94 119.13 3h2i h PHE 310 Ca 0.21 -0.07 -0.07 0.00 3.53 0.00 0.00 57.97 61.57 3h2i h PHE 310 Cb 0.30 -0.35 -0.03 0.00 2.79 0.00 0.00 35.95 38.66 3h2i h PHE 310 CO -0.28 0.85 0.14 -0.09 -2.23 0.00 0.00 178.31 176.70 3h2i h ARG 311 N 1.10 1.02 -0.46 1.11 2.43 -1.75 -0.44 114.38 117.39 3h2i h ARG 311 Ca 0.26 -0.24 -0.11 0.00 -0.81 0.00 0.00 59.98 59.08 3h2i h ARG 311 Cb 0.15 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 3h2i h ARG 311 CO -0.03 0.91 -0.15 1.96 -1.51 0.00 0.00 179.97 181.15 3h2i h GLN 312 N 0.97 0.88 -0.45 0.20 4.20 -0.88 0.59 115.11 120.61 3h2i h GLN 312 Ca 0.20 -0.33 -0.06 0.00 0.06 0.00 0.00 58.65 58.52 3h2i h GLN 312 Cb 0.36 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.07 3h2i h GLN 312 CO 0.00 0.97 0.04 -0.44 -0.67 0.00 0.00 178.83 178.74 3h2i h ASP 313 N 0.78 0.68 -0.33 1.46 3.32 -0.81 0.07 116.42 121.59 3h2i h ASP 313 Ca 0.12 -0.14 -0.11 0.00 0.02 0.00 0.00 57.03 56.92 3h2i h ASP 313 Cb 0.68 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 3h2i h ASP 313 CO 0.05 0.73 -0.22 -0.07 -1.72 0.00 0.00 179.24 178.01 3h2i h LEU 314 N 0.68 0.76 -0.53 1.55 3.38 -0.60 -3.16 115.31 117.39 3h2i h LEU 314 Ca 0.14 -0.43 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 3h2i h LEU 314 Cb 0.37 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 3h2i h LEU 314 CO 0.01 1.03 0.33 0.00 0.09 0.00 0.00 178.44 179.90 3h2i h ALA 315 N 0.75 0.67 0.00 1.53 0.00 -0.32 -1.31 119.26 120.59 3h2i h ALA 315 Ca 0.07 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3h2i h ALA 315 Cb 0.77 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3h2i h ALA 315 CO 0.06 0.14 0.02 0.00 0.00 0.00 0.00 179.25 179.47 3h2i h ARG 316 N 0.71 0.00 -0.23 0.00 3.08 -0.97 -1.10 114.38 115.87 3h2i h ARG 316 Ca 0.19 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.21 3h2i h ARG 316 Cb -0.03 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 3h2i h ARG 316 CO -0.04 0.00 -0.01 0.09 -1.07 0.00 0.00 179.97 178.94 3h2i n ASN 317 N -2.38 3.39 -4.84 7.04 3.02 -0.51 -4.92 115.26 116.07 3h2i n ASN 317 Ca -0.02 -3.17 -0.32 0.00 -0.03 0.00 0.00 54.58 51.05 3h2i n ASN 317 Cb 0.06 -0.54 -0.01 0.00 -0.61 0.00 0.00 39.78 38.67 3h2i n ASN 317 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3h2i s ASN 318 N -2.20 6.27 -0.48 6.41 0.01 -0.42 -4.74 114.94 119.79 3h2i s ASN 318 Ca 0.41 1.60 0.06 0.00 -0.71 0.00 0.00 52.86 54.22 3h2i s ASN 318 Cb 0.34 -2.51 0.39 0.00 0.41 0.00 0.00 41.25 39.89 3h2i s ASN 318 CO 0.06 -0.83 1.03 0.18 -1.51 0.00 0.00 177.10 176.03 3h2i n LEU 319 N -2.03 4.30 -0.06 0.60 4.77 -0.37 -4.82 117.00 119.39 3h2i n LEU 319 Ca 0.07 -5.30 -0.08 0.00 -0.03 0.00 0.00 56.01 50.67 3h2i n LEU 319 Cb 0.54 -0.40 -0.06 0.00 -2.33 0.00 0.00 43.42 41.17 3h2i n LEU 319 CO 0.50 2.25 -0.88 0.18 -1.33 0.00 0.00 177.39 178.10 3h2i n LEU 320 N -0.34 2.58 -3.99 2.23 4.77 -1.26 -4.87 117.00 116.12 3h2i n LEU 320 Ca 0.34 -0.06 -0.43 0.00 -0.03 0.00 0.00 56.01 55.84 3h2i n LEU 320 Cb 0.57 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 3h2i n LEU 320 CO 0.33 0.64 2.23 -0.62 -1.33 0.00 0.00 177.39 178.64 3h2i n GLU 321 N -2.79 3.18 -3.74 3.23 1.02 -1.26 -4.50 120.64 115.79 3h2i n GLU 321 Ca -0.21 -3.10 -0.03 0.00 -0.02 0.00 0.00 57.16 53.80 3h2i n GLU 321 Cb 0.74 -3.20 -0.01 0.00 -0.02 0.00 0.00 31.44 28.95 3h2i n GLU 321 CO 0.00 0.00 0.00 1.67 1.18 0.00 0.00 177.13 179.98 3h2i s TRP 322 N 2.42 -0.12 -0.39 -0.32 1.48 -1.26 -5.13 118.94 115.62 3h2i s TRP 322 Ca 0.46 -0.16 -0.01 0.00 -1.06 0.00 0.00 56.10 55.32 3h2i s TRP 322 Cb 0.09 0.63 0.11 0.00 -1.16 0.00 0.00 33.47 33.14 3h2i s TRP 322 CO -0.02 -0.75 0.16 0.00 -4.06 0.00 0.00 176.95 172.28 3h2i s ALA 323 N -3.16 3.09 0.15 2.67 0.00 -1.26 -4.54 121.76 118.70 3h2i s ALA 323 Ca 0.13 -2.51 -0.31 0.00 0.00 0.00 0.00 51.96 49.27 3h2i s ALA 323 Cb -0.00 -2.30 -0.11 0.00 0.00 0.00 0.00 23.12 20.71 3h2i s ALA 323 CO 0.01 -1.76 1.78 -2.14 0.00 0.00 0.00 175.76 173.66 3h2i s PRO 324 N 1.09 4.14 -0.14 0.00 0.02 -1.26 -4.89 135.00 133.96 3h2i s PRO 324 Ca 0.08 2.58 0.04 0.00 0.02 0.00 0.00 61.00 63.73 3h2i s PRO 324 Cb -0.22 -3.43 -0.23 0.00 0.02 0.00 0.00 34.50 30.64 3h2i s PRO 324 CO -0.05 -0.81 0.28 1.04 -0.33 0.00 0.00 177.00 177.14 3h2i n GLN 325 N 5.13 0.69 -2.66 5.54 3.00 -1.26 -4.48 117.38 123.35 3h2i n GLN 325 Ca 0.17 0.21 -0.40 0.00 -0.01 0.00 0.00 57.00 56.97 3h2i n GLN 325 Cb 0.37 -1.67 -0.05 0.00 0.00 0.00 0.00 30.24 28.90 3h2i n GLN 325 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 3h2i s THR 326 N -2.55 4.00 -0.02 5.09 2.01 -1.26 -4.94 115.64 117.97 3h2i s THR 326 Ca -0.18 1.90 -0.35 0.00 0.31 0.00 0.00 61.69 63.37 3h2i s THR 326 Cb 0.07 -4.21 -0.13 0.00 0.01 0.00 0.00 72.50 68.24 3h2i s THR 326 CO 0.76 0.41 1.71 -2.65 -0.69 0.00 0.00 174.62 174.16 3h2i n PRO 327 N 1.79 1.91 -4.70 4.92 -0.02 -1.26 -4.71 135.00 132.92 3h2i n PRO 327 Ca -0.00 0.70 -0.24 0.00 -2.02 0.00 0.00 63.50 61.93 3h2i n PRO 327 Cb 0.47 -2.47 -0.16 0.00 -0.02 0.00 0.00 33.50 31.32 3h2i n PRO 327 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3h2i s THR 328 N 2.65 1.23 -0.27 3.45 2.01 0.15 -2.16 115.64 122.70 3h2i s THR 328 Ca 0.88 -0.62 0.02 0.00 0.31 0.00 0.00 61.69 62.29 3h2i s THR 328 Cb -0.77 -1.06 0.07 0.00 0.01 0.00 0.00 72.50 70.75 3h2i s THR 328 CO 0.49 0.36 -0.04 -0.22 -0.69 0.00 0.00 174.62 174.52 3h2i s LEU 329 N 0.02 3.23 -0.11 4.42 2.96 -0.42 0.11 118.68 128.89 3h2i s LEU 329 Ca -0.02 -1.47 -0.25 0.00 -0.22 0.00 0.00 54.13 52.17 3h2i s LEU 329 Cb -0.10 -1.35 -0.03 0.00 0.50 0.00 0.00 46.19 45.21 3h2i s LEU 329 CO 0.01 -0.26 0.79 -0.76 -1.32 0.00 0.00 176.35 174.80 3h2i s LEU 330 N 1.23 4.25 0.15 -0.68 1.43 0.54 -3.71 118.68 121.89 3h2i s LEU 330 Ca -0.02 1.22 0.11 0.00 -1.03 0.00 0.00 54.13 54.40 3h2i s LEU 330 Cb -0.19 -3.20 -0.04 0.00 0.03 0.00 0.00 46.19 42.79 3h2i s LEU 330 CO -0.08 -0.26 -0.23 0.00 0.23 0.00 0.00 176.35 176.01 3h2i n GLY 332 N 0.67 -1.25 2.97 0.00 0.00 -0.89 -0.90 105.19 105.79 3h2i n GLY 332 Ca -0.16 -0.84 -0.21 0.00 0.00 0.00 0.00 46.02 44.81 3h2i n GLY 332 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3h2i s SER 333 N -3.87 1.16 0.65 1.61 0.15 -1.26 -0.29 113.70 111.85 3h2i s SER 333 Ca 0.00 -0.18 0.42 0.00 0.70 0.00 0.00 55.95 56.89 3h2i s SER 333 Cb 0.00 -0.42 2.26 0.00 -1.71 0.00 0.00 66.02 66.16 3h2i s SER 333 CO 0.00 0.02 2.33 0.28 1.20 0.00 0.00 173.24 177.07 3h2i h SER 334 N 6.70 0.00 1.34 5.45 0.02 -1.92 -0.13 113.55 125.01 3h2i h SER 334 Ca -0.34 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 3h2i h SER 334 Cb 1.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.71 3h2i h SER 334 CO 0.48 0.00 0.00 0.59 -1.14 0.00 0.00 176.83 176.77 3h2i n ASN 335 N -3.20 0.63 -4.61 3.07 3.02 -1.26 -4.83 115.26 108.08 3h2i n ASN 335 Ca -0.03 0.56 -0.43 0.00 -0.03 0.00 0.00 54.58 54.66 3h2i n ASN 335 Cb 0.09 -0.73 -0.03 0.00 -0.61 0.00 0.00 39.78 38.50 3h2i n ASN 335 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3h2i s ASP 336 N -4.18 5.95 0.00 6.41 -1.08 -0.06 -2.04 116.67 121.67 3h2i s ASP 336 Ca 0.11 1.66 0.22 0.00 -0.52 0.00 0.00 52.55 54.02 3h2i s ASP 336 Cb 0.14 -2.52 -0.17 0.00 -1.46 0.00 0.00 42.92 38.90 3h2i s ASP 336 CO 0.57 -1.60 0.87 0.00 0.52 0.00 0.00 175.17 175.53 3h2i n ALA 337 N 9.93 4.15 -0.06 3.66 0.00 -1.12 -3.71 120.51 133.36 3h2i n ALA 337 Ca 0.23 -0.54 -0.12 0.00 0.00 0.00 0.00 53.44 53.01 3h2i n ALA 337 Cb 0.45 -0.81 -0.11 0.00 0.00 0.00 0.00 19.45 18.98 3h2i n ALA 337 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3h2i h THR 338 N 0.00 1.53 -3.17 0.00 2.02 -1.80 -3.42 112.91 108.07 3h2i h THR 338 Ca 0.00 -2.12 -0.62 0.00 0.77 0.00 0.00 66.41 64.44 3h2i h THR 338 Cb 0.62 2.87 -0.40 0.00 -1.74 0.00 0.00 68.15 69.50 3h2i h THR 338 CO 0.00 0.51 -0.70 -0.69 0.37 0.00 0.00 175.52 175.01 3h2i s VAL 339 N -2.18 1.80 0.25 3.16 1.01 -1.26 -5.06 120.40 118.12 3h2i s VAL 339 Ca -0.16 -2.70 -0.31 0.00 0.00 0.00 0.00 61.98 58.81 3h2i s VAL 339 Cb -0.02 -2.27 -0.14 0.00 0.00 0.00 0.00 36.38 33.95 3h2i s VAL 339 CO 0.59 -0.83 1.31 -2.65 0.00 0.00 0.00 175.10 173.51 3h2i n PRO 340 N 3.54 1.82 0.04 2.72 -0.02 -1.24 -4.82 135.00 137.05 3h2i n PRO 340 Ca 0.06 0.65 0.05 0.00 -2.02 0.00 0.00 63.50 62.24 3h2i n PRO 340 Cb 0.35 -2.23 0.24 0.00 -0.02 0.00 0.00 33.50 31.83 3h2i n PRO 340 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3h2i n LEU 341 N 1.83 0.17 -0.13 2.45 7.94 -1.26 -1.19 117.00 126.81 3h2i n LEU 341 Ca 0.11 0.56 0.13 0.00 -1.11 0.00 0.00 56.01 55.71 3h2i n LEU 341 Cb 0.31 -0.57 0.49 0.00 0.53 0.00 0.00 43.42 44.19 3h2i n LEU 341 CO 0.62 -0.52 1.20 0.50 -1.11 0.00 0.00 177.39 178.08 3h2i h LYS 342 N 0.00 0.42 -0.64 1.96 3.64 -1.94 -0.07 116.57 119.94 3h2i h LYS 342 Ca 0.00 -0.03 0.13 0.00 -1.27 0.00 0.00 60.65 59.48 3h2i h LYS 342 Cb 0.10 -0.09 -0.10 0.00 -0.41 0.00 0.00 32.23 31.73 3h2i h LYS 342 CO 0.00 0.28 0.11 -0.91 -2.27 0.00 0.00 179.45 176.65 3h2i h ASN 343 N 0.43 -0.07 -0.46 4.20 2.35 -1.48 0.70 115.58 121.26 3h2i h ASN 343 Ca 0.32 0.13 -0.02 0.00 -0.55 0.00 0.00 56.30 56.18 3h2i h ASN 343 Cb 0.67 0.19 -0.02 0.00 0.05 0.00 0.00 38.32 39.22 3h2i h ASN 343 CO -0.10 -0.03 0.20 0.00 -1.65 0.00 0.00 177.43 175.84 3h2i h ALA 344 N 1.53 0.59 -0.41 -0.83 0.00 -1.21 -2.06 119.26 116.87 3h2i h ALA 344 Ca 0.34 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 3h2i h ALA 344 Cb 0.54 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3h2i h ALA 344 CO -0.46 0.18 0.17 1.96 0.00 0.00 0.00 179.25 181.10 3h2i h GLN 345 N 0.60 0.61 -0.54 0.00 4.20 -0.95 -1.34 115.11 117.69 3h2i h GLN 345 Ca 0.15 -0.11 -0.04 0.00 0.06 0.00 0.00 58.65 58.72 3h2i h GLN 345 Cb 0.17 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 3h2i h GLN 345 CO -0.02 0.56 0.17 1.15 -0.67 0.00 0.00 178.83 180.03 3h2i h THR 346 N 0.51 1.23 0.33 -0.54 2.02 -0.87 -1.20 112.91 114.39 3h2i h THR 346 Ca 0.14 -0.78 -0.01 0.00 0.77 0.00 0.00 66.41 66.53 3h2i h THR 346 Cb 0.18 0.73 -0.00 0.00 -1.74 0.00 0.00 68.15 67.32 3h2i h THR 346 CO -0.01 0.29 -0.18 0.00 0.37 0.00 0.00 175.52 175.99 3h2i h ALA 347 N 1.03 -0.47 -0.90 6.16 0.00 -1.21 -0.83 119.26 123.05 3h2i h ALA 347 Ca 0.17 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 55.06 3h2i h ALA 347 Cb 0.27 0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.21 3h2i h ALA 347 CO -0.01 -0.77 0.59 0.82 0.00 0.00 0.00 179.25 179.88 3h2i h ILE 348 N -0.47 1.04 -0.53 0.00 2.04 -1.16 0.13 117.51 118.57 3h2i h ILE 348 Ca -0.04 -0.34 -0.04 0.00 1.00 0.00 0.00 64.86 65.43 3h2i h ILE 348 Cb 0.38 -0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.40 3h2i h ILE 348 CO 0.05 0.18 0.15 0.00 0.00 0.00 0.00 178.15 178.54 3h2i h ALA 349 N 1.52 0.69 -0.49 1.87 0.00 -0.87 -1.76 119.26 120.21 3h2i h ALA 349 Ca 0.40 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 3h2i h ALA 349 Cb 0.24 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3h2i h ALA 349 CO -0.15 0.36 -0.10 1.03 0.00 0.00 0.00 179.25 180.38 3h2i h SER 350 N 0.73 0.89 -0.06 0.00 0.87 -0.02 -2.95 113.55 113.01 3h2i h SER 350 Ca 0.17 -0.28 -0.00 0.00 -1.23 0.00 0.00 61.79 60.44 3h2i h SER 350 Cb 0.29 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 62.01 3h2i h SER 350 CO -0.00 1.01 0.02 -0.26 -0.53 0.00 0.00 176.83 177.07 3h2i h PHE 351 N 0.81 0.09 -0.10 2.24 0.04 -0.54 -3.15 116.94 116.33 3h2i h PHE 351 Ca 0.13 -0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.92 3h2i h PHE 351 Cb 0.62 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 38.72 3h2i h PHE 351 CO 0.04 0.26 -0.05 1.96 -0.60 0.00 0.00 178.31 179.92 3h2i h GLN 352 N -0.11 -0.04 0.00 1.51 4.20 -1.14 -0.04 115.11 119.49 3h2i h GLN 352 Ca 0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 3h2i h GLN 352 Cb 0.22 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.01 3h2i h GLN 352 CO -0.00 -0.03 0.00 0.00 -0.67 0.00 0.00 178.83 178.13 3h2i n GLN 353 N -5.18 0.43 -0.02 1.46 10.64 -1.12 -0.36 117.38 123.23 3h2i n GLN 353 Ca -0.04 0.00 0.02 0.00 -1.83 0.00 0.00 57.00 55.15 3h2i n GLN 353 Cb 0.11 -1.10 0.03 0.00 -0.86 0.00 0.00 30.24 28.42 3h2i n GLN 353 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 3h2i n ARG 354 N -0.60 0.40 0.00 2.61 1.74 -0.08 -4.99 116.66 115.73 3h2i n ARG 354 Ca 0.02 -1.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.10 3h2i n ARG 354 Cb 0.01 -1.10 0.00 0.00 -1.02 0.00 0.00 32.46 30.35 3h2i n ARG 354 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3h2i n GLY 355 N 0.20 0.64 3.58 -0.13 0.00 0.51 -4.80 105.19 105.18 3h2i n GLY 355 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 3h2i n GLY 355 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3h2i s SER 356 N -2.68 4.92 -0.12 1.61 0.15 -0.85 -4.96 113.70 111.78 3h2i s SER 356 Ca 0.00 -0.01 0.16 0.00 0.70 0.00 0.00 55.95 56.79 3h2i s SER 356 Cb 0.00 -1.55 0.36 0.00 -1.71 0.00 0.00 66.02 63.13 3h2i s SER 356 CO 0.00 0.28 1.17 0.59 1.20 0.00 0.00 173.24 176.48 3h2i n ASN 357 N 2.79 1.44 0.11 5.45 3.02 -1.26 -2.78 115.26 124.03 3h2i n ASN 357 Ca -0.18 -3.06 0.12 0.00 -0.03 0.00 0.00 54.58 51.44 3h2i n ASN 357 Cb 0.53 -0.42 0.16 0.00 -0.61 0.00 0.00 39.78 39.44 3h2i n ASN 357 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 3h2i h GLN 358 N 0.76 0.00 -5.16 3.52 1.08 -1.90 -3.46 115.11 109.96 3h2i h GLN 358 Ca -0.07 0.00 -0.61 0.00 -1.45 0.00 0.00 58.65 56.52 3h2i h GLN 358 Cb 1.30 0.00 -0.14 0.00 -0.05 0.00 0.00 27.48 28.59 3h2i h GLN 358 CO 0.03 0.00 -0.47 0.08 -0.95 0.00 0.00 178.83 177.52 3h2i s VAL 359 N -3.22 5.35 0.32 -0.54 1.01 -1.26 -0.67 120.40 121.39 3h2i s VAL 359 Ca 0.05 0.24 0.10 0.00 0.00 0.00 0.00 61.98 62.37 3h2i s VAL 359 Cb 0.11 -3.52 -0.05 0.00 0.00 0.00 0.00 36.38 32.91 3h2i s VAL 359 CO 0.71 0.35 -0.04 0.00 0.00 0.00 0.00 175.10 176.12 3h2i s ALA 360 N 0.96 3.08 0.05 5.51 0.00 0.12 -4.98 121.76 126.50 3h2i s ALA 360 Ca 0.09 -1.92 0.09 0.00 0.00 0.00 0.00 51.96 50.22 3h2i s ALA 360 Cb -0.13 -0.36 -0.03 0.00 0.00 0.00 0.00 23.12 22.60 3h2i s ALA 360 CO 0.04 0.13 -0.25 -1.17 0.00 0.00 0.00 175.76 174.51 3h2i s LEU 361 N -3.66 2.18 -0.03 0.00 2.96 -1.26 -0.34 118.68 118.53 3h2i s LEU 361 Ca 0.33 -0.59 0.01 0.00 -0.22 0.00 0.00 54.13 53.66 3h2i s LEU 361 Cb -0.01 -1.21 0.02 0.00 0.50 0.00 0.00 46.19 45.49 3h2i s LEU 361 CO 0.18 0.23 -0.01 0.54 -1.32 0.00 0.00 176.35 175.97 3h2i s VAL 362 N -0.83 0.22 -0.13 1.68 0.11 0.23 -4.91 120.40 116.77 3h2i s VAL 362 Ca 0.11 0.04 -0.03 0.00 -2.93 0.00 0.00 61.98 59.17 3h2i s VAL 362 Cb -0.10 -0.30 -0.03 0.00 -1.53 0.00 0.00 36.38 34.42 3h2i s VAL 362 CO 0.02 0.15 -0.01 -0.62 -3.33 0.00 0.00 175.10 171.31 3h2i s ASP 363 N 0.92 5.08 -0.02 3.54 -1.08 -1.26 -2.10 116.67 121.75 3h2i s ASP 363 Ca -0.10 0.01 0.09 0.00 -0.52 0.00 0.00 52.55 52.04 3h2i s ASP 363 Cb -0.13 -1.66 0.27 0.00 -1.46 0.00 0.00 42.92 39.94 3h2i s ASP 363 CO -0.01 0.26 1.22 0.35 0.52 0.00 0.00 175.17 177.50 3h2i n THR 364 N 2.95 1.17 -0.99 1.71 -2.24 0.60 -4.97 114.28 112.52 3h2i n THR 364 Ca -0.18 -1.14 -0.29 0.00 -2.27 0.00 0.00 64.05 60.17 3h2i n THR 364 Cb 0.53 0.39 0.17 0.00 -2.10 0.00 0.00 70.33 69.32 3h2i n THR 364 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3h2i s GLY 365 N -1.16 1.60 0.18 3.38 0.00 -1.26 -4.93 107.32 105.12 3h2i s GLY 365 Ca 0.21 -0.07 0.26 0.00 0.00 0.00 0.00 44.72 45.12 3h2i s GLY 365 CO 0.11 0.49 1.68 -1.30 0.00 0.00 0.00 173.10 174.09 3h2i n THR 366 N -4.22 0.50 -0.25 0.90 -2.24 -1.26 -4.91 114.28 102.80 3h2i n THR 366 Ca 0.06 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 3h2i n THR 366 Cb 0.55 -0.47 0.00 0.00 -2.10 0.00 0.00 70.33 68.31 3h2i n THR 366 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h2i n GLY 367 N 1.33 1.67 3.42 3.38 0.00 -1.26 -5.00 105.19 108.73 3h2i n GLY 367 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 3h2i n GLY 367 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3h2i s ASN 368 N -3.27 5.65 0.35 1.61 0.01 -1.26 -4.93 114.94 113.11 3h2i s ASN 368 Ca 0.00 -0.69 0.16 0.00 -0.71 0.00 0.00 52.86 51.61 3h2i s ASN 368 Cb 0.00 -2.02 0.85 0.00 0.41 0.00 0.00 41.25 40.49 3h2i s ASN 368 CO 0.00 -0.27 1.40 0.00 -1.51 0.00 0.00 177.10 176.72 3h2i h ALA 369 N 8.39 1.18 0.00 0.60 0.00 -1.98 0.25 119.26 127.71 3h2i h ALA 369 Ca -0.30 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 3h2i h ALA 369 Cb 1.13 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 3h2i h ALA 369 CO 0.64 -0.18 -0.26 0.66 0.00 0.00 0.00 179.25 180.10 3h2i h SER 370 N 0.00 0.00 0.00 0.00 4.64 -1.99 -2.80 113.55 113.40 3h2i h SER 370 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3h2i h SER 370 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 3h2i h SER 370 CO 0.00 0.26 -0.01 0.47 -0.87 0.00 0.00 176.83 176.69 3h2i n ASP 371 N -3.54 1.00 -4.68 4.97 10.43 0.88 -4.92 116.55 120.69 3h2i n ASP 371 Ca -0.01 -1.31 -0.45 0.00 2.57 0.00 0.00 54.79 55.59 3h2i n ASP 371 Cb 0.41 0.00 -0.04 0.00 1.84 0.00 0.00 41.12 43.33 3h2i n ASP 371 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 3h2i n ASN 372 N -0.23 3.25 -3.60 -2.24 4.13 -1.06 -4.85 115.26 110.67 3h2i n ASN 372 Ca 0.20 1.09 -0.09 0.00 1.68 0.00 0.00 54.58 57.46 3h2i n ASN 372 Cb 0.28 -1.46 -0.05 0.00 -1.54 0.00 0.00 39.78 37.00 3h2i n ASN 372 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 3h2i s SER 373 N 0.88 -0.34 0.52 6.41 0.15 -0.86 -4.99 113.70 115.47 3h2i s SER 373 Ca 0.76 0.44 0.28 0.00 0.70 0.00 0.00 55.95 58.13 3h2i s SER 373 Cb -0.64 0.37 1.44 0.00 -1.71 0.00 0.00 66.02 65.48 3h2i s SER 373 CO 0.38 -0.27 2.06 0.00 1.20 0.00 0.00 173.24 176.62 3h2i h ALA 374 N 2.82 1.25 0.00 5.45 0.00 -1.83 -1.58 119.26 125.37 3h2i h ALA 374 Ca -0.19 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3h2i h ALA 374 Cb 1.17 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3h2i h ALA 374 CO 0.26 0.15 0.00 1.19 0.00 0.00 0.00 179.25 180.85 3h2i n PHE 375 N -3.59 0.11 0.48 0.00 3.01 -1.26 -2.68 117.46 113.54 3h2i n PHE 375 Ca -0.02 0.04 0.13 0.00 1.01 0.00 0.00 57.45 58.61 3h2i n PHE 375 Cb 0.25 -0.56 0.45 0.00 -0.01 0.00 0.00 39.48 39.61 3h2i n PHE 375 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3h2i h ALA 376 N 2.72 1.00 0.26 4.37 0.00 -1.57 -3.24 119.26 122.81 3h2i h ALA 376 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3h2i h ALA 376 Cb 0.41 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3h2i h ALA 376 CO 0.00 0.00 -0.22 1.25 0.00 0.00 0.00 179.25 180.28 3h2i h HIS 377 N 0.00 -0.57 0.00 0.00 6.17 -1.68 -2.66 115.15 116.42 3h2i h HIS 377 Ca 0.00 0.00 -0.00 0.00 0.71 0.00 0.00 60.37 61.08 3h2i h HIS 377 Cb 0.56 0.22 -0.00 0.00 2.52 0.00 0.00 27.41 30.70 3h2i h HIS 377 CO 0.00 -0.33 -0.01 0.52 0.71 0.00 0.00 177.93 178.82 3h2i h MET 378 N -0.50 0.00 0.00 5.26 2.86 -1.80 -1.96 114.93 118.80 3h2i h MET 378 Ca -0.01 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.60 3h2i h MET 378 Cb 0.44 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.10 3h2i h MET 378 CO -0.02 0.01 -0.15 -0.07 1.06 0.00 0.00 176.91 177.75 3h2i h LEU 379 N 0.00 0.00 -0.55 1.22 3.38 -1.62 -3.09 115.31 114.65 3h2i h LEU 379 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3h2i h LEU 379 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3h2i h LEU 379 CO 0.00 0.15 0.00 0.71 0.09 0.00 0.00 178.44 179.39 3h2i h THR 380 N 0.00 0.00 0.00 0.22 1.35 -1.33 -3.24 112.91 109.91 3h2i h THR 380 Ca -0.00 -0.75 0.00 0.00 -0.55 0.00 0.00 66.41 65.10 3h2i h THR 380 Cb 0.64 1.74 0.00 0.00 -1.73 0.00 0.00 68.15 68.80 3h2i h THR 380 CO 0.02 0.00 0.00 1.17 -0.25 0.00 0.00 175.52 176.46 3h2i n LYS 381 N -2.99 0.00 0.10 4.72 4.81 -1.17 0.10 118.16 123.72 3h2i n LYS 381 Ca 0.03 0.44 -0.00 0.00 -0.87 0.00 0.00 58.31 57.91 3h2i n LYS 381 Cb 0.43 -1.26 0.29 0.00 0.02 0.00 0.00 35.03 34.51 3h2i n LYS 381 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 3h2i h GLU 382 N 0.00 0.26 -0.13 1.64 4.81 -1.81 -1.72 114.58 117.63 3h2i h GLU 382 Ca 0.00 -0.09 -0.00 0.00 -0.13 0.00 0.00 59.36 59.14 3h2i h GLU 382 Cb 0.00 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 3h2i h GLU 382 CO 0.00 0.52 0.07 1.03 -0.73 0.00 0.00 179.01 179.90 3h2i h SER 383 N 0.23 0.16 0.89 1.04 0.87 -1.57 -2.62 113.55 112.55 3h2i h SER 383 Ca 0.04 -0.09 -0.08 0.00 -1.23 0.00 0.00 61.79 60.42 3h2i h SER 383 Cb 0.61 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.52 3h2i h SER 383 CO 0.04 0.20 -0.40 0.00 -0.53 0.00 0.00 176.83 176.15 3h2i h ILE 385 N 0.00 1.13 -0.24 0.00 1.08 -1.07 -0.25 117.51 118.16 3h2i h ILE 385 Ca -0.00 -0.35 -0.01 0.00 -0.39 0.00 0.00 64.86 64.10 3h2i h ILE 385 Cb 0.95 0.99 -0.01 0.00 -3.07 0.00 0.00 36.82 35.68 3h2i h ILE 385 CO 0.05 0.12 0.11 0.58 -0.69 0.00 0.00 178.15 178.33 3h2i h VAL 386 N 0.20 1.14 0.17 1.67 2.07 -1.43 -0.86 116.25 119.22 3h2i h VAL 386 Ca 0.07 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 3h2i h VAL 386 Cb 0.10 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 3h2i h VAL 386 CO -0.01 0.14 -0.08 0.58 0.02 0.00 0.00 177.57 178.22 3h2i h VAL 387 N 0.25 0.88 -0.11 2.57 2.07 -1.34 -0.79 116.25 119.79 3h2i h VAL 387 Ca 0.08 -0.25 -0.08 0.00 0.82 0.00 0.00 66.70 67.27 3h2i h VAL 387 Cb 0.12 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 3h2i h VAL 387 CO -0.01 0.06 -0.31 -0.37 0.02 0.00 0.00 177.57 176.96 3h2i h VAL 388 N -0.35 1.26 -0.03 2.57 -1.51 -1.09 0.13 116.25 117.24 3h2i h VAL 388 Ca -0.02 -1.26 -0.00 0.00 -1.23 0.00 0.00 66.70 64.19 3h2i h VAL 388 Cb 0.27 1.53 -0.00 0.00 -2.13 0.00 0.00 31.29 30.96 3h2i h VAL 388 CO 0.04 0.38 0.01 -0.09 -1.23 0.00 0.00 177.57 176.68 3h2i h ARG 389 N 0.19 0.04 -0.14 5.19 2.43 -0.95 -0.44 114.38 120.71 3h2i h ARG 389 Ca 0.03 -0.01 -0.18 0.00 -0.81 0.00 0.00 59.98 59.01 3h2i h ARG 389 Cb 0.65 -0.01 0.01 0.00 -0.42 0.00 0.00 29.97 30.20 3h2i h ARG 389 CO 0.05 0.12 -0.60 -0.44 -1.51 0.00 0.00 179.97 177.59 3h2i h ASP 390 N -0.06 0.77 1.85 -3.80 3.32 -0.84 0.12 116.42 117.79 3h2i h ASP 390 Ca 0.01 -0.62 -0.02 0.00 0.02 0.00 0.00 57.03 56.42 3h2i h ASP 390 Cb 0.10 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.42 3h2i h ASP 390 CO -0.00 1.27 -0.15 1.56 -1.72 0.00 0.00 179.24 180.19 3h2i h GLN 391 N 0.32 0.00 0.00 3.56 4.20 -0.79 -3.42 115.11 118.99 3h2i h GLN 391 Ca -0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.67 3h2i h GLN 391 Cb 1.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.02 3h2i h GLN 391 CO 0.13 0.08 -0.20 -0.11 -0.67 0.00 0.00 178.83 178.05 3h2i n LEU 392 N -3.09 0.01 0.21 1.46 7.94 -0.30 -4.81 117.00 118.43 3h2i n LEU 392 Ca 0.03 0.04 -0.15 0.00 -1.11 0.00 0.00 56.01 54.82 3h2i n LEU 392 Cb 0.56 0.03 -0.08 0.00 0.53 0.00 0.00 43.42 44.46 3h2i n LEU 392 CO 0.35 -0.43 0.76 -0.07 -1.11 0.00 0.00 177.39 176.89 3h2i h LEU 393 N 0.00 -0.40 -1.33 -1.96 3.38 -1.08 -1.57 115.31 112.35 3h2i h LEU 393 Ca 0.00 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.03 3h2i h LEU 393 Cb 0.20 0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 3h2i h LEU 393 CO 0.00 -0.29 0.48 0.44 0.09 0.00 0.00 178.44 179.17 3h2i h ASP 394 N -0.47 0.74 0.78 -0.43 3.32 -1.00 -1.73 116.42 117.63 3h2i h ASP 394 Ca -0.05 -0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.93 3h2i h ASP 394 Cb 0.36 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 3h2i h ASP 394 CO 0.08 0.50 -0.32 0.11 -1.72 0.00 0.00 179.24 177.89 3h2i h LYS 395 N 0.85 0.00 -0.01 3.56 1.57 -1.73 -3.00 116.57 117.81 3h2i h LYS 395 Ca 0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 3h2i h LYS 395 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 3h2i h LYS 395 CO -0.09 0.32 -0.31 1.04 -0.57 0.00 0.00 179.45 179.83 3h2i n GLN 396 N -3.55 1.20 0.00 3.15 1.13 -0.62 -5.09 117.38 113.60 3h2i n GLN 396 Ca -0.00 -0.88 0.00 0.00 -1.94 0.00 0.00 57.00 54.18 3h2i n GLN 396 Cb 0.46 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 29.33 3h2i n GLN 396 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16