#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j5i n TYR 4 N 0.00 0.00 -1.87 1.09 4.01 -1.26 -4.83 117.16 114.30 2j5i n TYR 4 Ca 0.00 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.32 2j5i n TYR 4 Cb 0.00 -0.13 -0.03 0.00 -0.31 0.00 0.00 39.34 38.87 2j5i n TYR 4 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 2j5i s GLU 5 N -2.68 4.18 -0.98 -0.72 2.56 -1.26 -1.70 118.70 118.10 2j5i s GLU 5 Ca 0.02 2.43 0.00 0.00 0.00 0.00 0.00 54.97 57.42 2j5i s GLU 5 Cb 0.11 -3.33 0.00 0.00 2.00 0.00 0.00 34.13 32.91 2j5i s GLU 5 CO 0.64 -0.70 0.00 0.41 -0.56 0.00 0.00 175.26 175.05 2j5i n GLY 6 N 3.93 0.99 0.12 -1.50 0.00 -1.26 -4.90 105.19 102.57 2j5i n GLY 6 Ca 0.15 -0.17 -0.06 0.00 0.00 0.00 0.00 46.02 45.94 2j5i n GLY 6 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2j5i h ARG 7 N 0.11 0.11 -5.73 1.61 2.43 -1.65 -3.45 114.38 107.80 2j5i h ARG 7 Ca -0.19 -0.11 -0.48 0.00 -0.81 0.00 0.00 59.98 58.39 2j5i h ARG 7 Cb 0.90 0.03 -0.20 0.00 -0.42 0.00 0.00 29.97 30.28 2j5i h ARG 7 CO 0.28 0.83 -0.79 -1.58 -1.51 0.00 0.00 179.97 177.20 2j5i s TRP 8 N -3.32 1.57 0.10 2.20 0.51 -1.26 -5.05 118.94 113.68 2j5i s TRP 8 Ca -0.02 -0.48 -0.06 0.00 -2.12 0.00 0.00 56.10 53.42 2j5i s TRP 8 Cb 0.11 -0.83 -0.20 0.00 -0.81 0.00 0.00 33.47 31.74 2j5i s TRP 8 CO 0.80 0.19 1.20 -0.22 -0.51 0.00 0.00 176.95 178.41 2j5i h LYS 9 N 3.76 0.38 -0.00 4.98 3.64 -1.97 -3.38 116.57 123.97 2j5i h LYS 9 Ca -0.42 -0.51 0.00 0.00 -1.27 0.00 0.00 60.65 58.44 2j5i h LYS 9 Cb 1.19 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 33.18 2j5i h LYS 9 CO 0.46 1.20 0.00 0.25 -2.27 0.00 0.00 179.45 179.08 2j5i n THR 10 N -3.66 0.09 -3.88 1.00 -2.24 -1.26 -4.95 114.28 99.38 2j5i n THR 10 Ca -0.09 -0.55 -0.11 0.00 -2.27 0.00 0.00 64.05 61.04 2j5i n THR 10 Cb 0.94 0.96 -0.12 0.00 -2.10 0.00 0.00 70.33 70.01 2j5i n THR 10 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2j5i s VAL 11 N -0.10 0.05 0.09 2.28 1.01 -1.26 0.21 120.40 122.68 2j5i s VAL 11 Ca 0.00 -0.38 0.10 0.00 0.00 0.00 0.00 61.98 61.70 2j5i s VAL 11 Cb 0.00 -0.24 -0.03 0.00 0.00 0.00 0.00 36.38 36.10 2j5i s VAL 11 CO 0.00 -0.21 -0.26 -0.54 0.00 0.00 0.00 175.10 174.10 2j5i s LYS 12 N -0.65 1.52 -0.12 2.72 1.02 -0.05 -4.29 119.74 119.88 2j5i s LYS 12 Ca -0.07 -1.22 0.02 0.00 0.02 0.00 0.00 55.97 54.71 2j5i s LYS 12 Cb -0.04 -1.86 0.02 0.00 -0.52 0.00 0.00 37.83 35.42 2j5i s LYS 12 CO 0.00 0.46 -0.16 0.08 -0.92 0.00 0.00 175.35 174.81 2j5i s VAL 13 N -0.96 1.59 -0.16 3.17 1.01 -1.26 -0.04 120.40 123.75 2j5i s VAL 13 Ca 0.12 -0.69 -0.00 0.00 0.00 0.00 0.00 61.98 61.41 2j5i s VAL 13 Cb -0.10 -1.45 0.04 0.00 0.00 0.00 0.00 36.38 34.87 2j5i s VAL 13 CO 0.04 0.46 -0.06 -1.61 0.00 0.00 0.00 175.10 173.93 2j5i s GLU 14 N 1.06 1.54 -0.18 2.72 2.02 -0.32 -4.76 118.70 120.78 2j5i s GLU 14 Ca -0.05 -0.51 -0.07 0.00 0.02 0.00 0.00 54.97 54.37 2j5i s GLU 14 Cb -0.15 -1.98 -0.04 0.00 0.10 0.00 0.00 34.13 32.06 2j5i s GLU 14 CO -0.03 -0.40 0.06 0.42 0.02 0.00 0.00 175.26 175.33 2j5i s ILE 15 N 1.62 4.77 -0.27 -1.63 1.01 -1.26 -0.55 121.20 124.89 2j5i s ILE 15 Ca 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 60.65 60.62 2j5i s ILE 15 Cb -0.15 -3.14 0.08 0.00 0.01 0.00 0.00 42.46 39.26 2j5i s ILE 15 CO -0.08 0.47 0.02 -1.83 0.00 0.00 0.00 174.94 173.53 2j5i s GLU 16 N 0.27 1.15 -1.28 2.79 -1.05 0.01 -4.91 118.70 115.67 2j5i s GLU 16 Ca 0.04 -1.04 -0.09 0.00 -0.15 0.00 0.00 54.97 53.72 2j5i s GLU 16 Cb -0.12 -2.40 -0.00 0.00 -0.44 0.00 0.00 34.13 31.16 2j5i s GLU 16 CO 0.00 -0.78 0.61 -3.47 0.95 0.00 0.00 175.26 172.57 2j5i n ASP 17 N 4.73 -2.49 0.00 0.83 2.03 -1.26 -1.39 116.55 119.00 2j5i n ASP 17 Ca -0.06 -1.00 0.00 0.00 0.52 0.00 0.00 54.79 54.25 2j5i n ASP 17 Cb 0.44 -3.28 0.00 0.00 -0.72 0.00 0.00 41.12 37.56 2j5i n ASP 17 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2j5i n GLY 18 N -1.82 2.14 3.52 0.27 0.00 -1.22 -5.00 105.19 103.08 2j5i n GLY 18 Ca -0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.38 2j5i n GLY 18 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2j5i s ILE 19 N -2.34 4.95 -0.55 -0.61 1.01 -0.48 -0.06 121.20 123.12 2j5i s ILE 19 Ca 0.00 0.04 -0.20 0.00 0.00 0.00 0.00 60.65 60.48 2j5i s ILE 19 Cb 0.00 -4.09 0.07 0.00 0.01 0.00 0.00 42.46 38.44 2j5i s ILE 19 CO 0.00 -0.45 0.74 0.00 0.00 0.00 0.00 174.94 175.24 2j5i s ALA 20 N 2.51 3.32 -0.15 9.38 0.00 0.68 -0.81 121.76 136.68 2j5i s ALA 20 Ca 0.18 -1.77 -0.29 0.00 0.00 0.00 0.00 51.96 50.08 2j5i s ALA 20 Cb -0.15 -3.52 -0.01 0.00 0.00 0.00 0.00 23.12 19.43 2j5i s ALA 20 CO 0.16 -2.25 1.20 -0.06 0.00 0.00 0.00 175.76 174.81 2j5i s PHE 21 N 3.06 3.03 -0.29 0.00 0.40 0.29 -0.90 117.98 123.57 2j5i s PHE 21 Ca 0.18 1.15 -0.06 0.00 -0.60 0.00 0.00 56.93 57.59 2j5i s PHE 21 Cb -0.19 -3.44 0.01 0.00 0.51 0.00 0.00 43.02 39.91 2j5i s PHE 21 CO 0.12 -1.36 0.07 0.08 0.70 0.00 0.00 175.22 174.82 2j5i s VAL 22 N 3.12 3.90 -0.31 -0.44 1.01 0.62 -1.18 120.40 127.12 2j5i s VAL 22 Ca 0.53 -0.69 -0.03 0.00 0.00 0.00 0.00 61.98 61.79 2j5i s VAL 22 Cb -0.21 -3.00 0.05 0.00 0.00 0.00 0.00 36.38 33.22 2j5i s VAL 22 CO 0.15 0.10 0.02 -0.63 0.00 0.00 0.00 175.10 174.74 2j5i s ILE 23 N 1.49 3.16 0.20 2.22 1.01 0.94 -0.82 121.20 129.40 2j5i s ILE 23 Ca 0.03 -1.33 -0.31 0.00 0.00 0.00 0.00 60.65 59.03 2j5i s ILE 23 Cb -0.17 -2.81 -0.11 0.00 0.01 0.00 0.00 42.46 39.38 2j5i s ILE 23 CO 0.02 -0.12 1.58 -0.76 0.00 0.00 0.00 174.94 175.66 2j5i s LEU 24 N 1.28 4.37 -0.45 2.97 1.43 -0.09 -0.87 118.68 127.32 2j5i s LEU 24 Ca -0.04 2.71 0.08 0.00 -1.03 0.00 0.00 54.13 55.85 2j5i s LEU 24 Cb -0.20 -3.60 0.29 0.00 0.03 0.00 0.00 46.19 42.71 2j5i s LEU 24 CO -0.00 -0.85 0.67 -3.20 0.23 0.00 0.00 176.35 173.20 2j5i n ASN 25 N 3.50 1.48 -3.00 2.29 4.05 0.13 -0.20 115.26 123.51 2j5i n ASN 25 Ca 0.12 -3.02 -0.19 0.00 0.45 0.00 0.00 54.58 51.94 2j5i n ASN 25 Cb 0.38 -0.63 -0.02 0.00 1.23 0.00 0.00 39.78 40.74 2j5i n ASN 25 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 2j5i n ARG 26 N 0.82 1.63 0.23 1.20 1.74 -1.26 -4.50 116.66 116.52 2j5i n ARG 26 Ca 0.25 -3.74 0.06 0.00 -0.77 0.00 0.00 57.85 53.64 2j5i n ARG 26 Cb 0.53 -1.78 0.54 0.00 -1.02 0.00 0.00 32.46 30.73 2j5i n ARG 26 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 2j5i h PRO 27 N 2.97 0.00 0.00 5.56 0.13 -1.87 0.15 132.00 138.94 2j5i h PRO 27 Ca 0.09 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.21 2j5i h PRO 27 Cb 0.90 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.03 2j5i h PRO 27 CO 0.59 0.14 -0.01 1.05 -0.23 0.00 0.00 178.00 179.54 2j5i h GLU 28 N 0.00 0.00 -0.21 0.86 9.09 -1.94 -1.61 114.58 120.78 2j5i h GLU 28 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2j5i h GLU 28 Cb 0.25 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.35 2j5i h GLU 28 CO 0.02 0.01 0.00 1.63 0.05 0.00 0.00 179.01 180.72 2j5i n LYS 29 N -3.46 2.58 -3.63 1.06 5.02 0.36 -4.96 118.16 115.13 2j5i n LYS 29 Ca -0.03 -2.73 -0.27 0.00 -2.02 0.00 0.00 58.31 53.26 2j5i n LYS 29 Cb 0.09 -1.73 0.01 0.00 -0.02 0.00 0.00 35.03 33.37 2j5i n LYS 29 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2j5i n ARG 30 N -0.66 -4.23 -2.69 1.97 1.74 -0.60 -2.07 116.66 110.12 2j5i n ARG 30 Ca 0.19 0.54 -0.21 0.00 -0.77 0.00 0.00 57.85 57.61 2j5i n ARG 30 Cb 0.81 -5.34 0.01 0.00 -1.02 0.00 0.00 32.46 26.92 2j5i n ARG 30 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2j5i n ASN 31 N -2.54 -5.65 -4.66 0.55 3.02 -0.18 -1.14 115.26 104.66 2j5i n ASN 31 Ca 0.01 -0.11 -0.44 0.00 -0.03 0.00 0.00 54.58 54.00 2j5i n ASN 31 Cb 0.54 -4.65 -0.02 0.00 -0.61 0.00 0.00 39.78 35.03 2j5i n ASN 31 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2j5i n ALA 32 N -2.70 0.90 -2.61 5.41 0.00 -0.88 -4.47 120.51 116.16 2j5i n ALA 32 Ca -0.17 0.40 -0.43 0.00 0.00 0.00 0.00 53.44 53.24 2j5i n ALA 32 Cb 0.65 -2.23 -0.04 0.00 0.00 0.00 0.00 19.45 17.82 2j5i n ALA 32 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2j5i s MET 33 N -0.86 3.39 0.42 0.00 1.00 0.87 -4.61 119.30 119.51 2j5i s MET 33 Ca 0.65 -0.15 0.04 0.00 0.00 0.00 0.00 55.69 56.22 2j5i s MET 33 Cb -0.65 -4.00 0.00 0.00 0.00 0.00 0.00 34.83 30.18 2j5i s MET 33 CO 0.54 -1.35 0.60 -1.54 0.00 0.00 0.00 175.02 173.27 2j5i s SER 34 N 2.57 5.75 0.32 3.03 1.04 -1.26 -1.41 113.70 123.73 2j5i s SER 34 Ca 0.31 -0.05 0.04 0.00 0.48 0.00 0.00 55.95 56.74 2j5i s SER 34 Cb -0.12 -1.16 0.66 0.00 0.10 0.00 0.00 66.02 65.50 2j5i s SER 34 CO 0.21 -0.70 1.87 -0.65 0.98 0.00 0.00 173.24 174.95 2j5i h PRO 35 N 0.55 0.85 -0.47 4.02 0.11 -1.92 0.22 132.00 135.35 2j5i h PRO 35 Ca -0.44 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 65.63 2j5i h PRO 35 Cb 1.27 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 32.16 2j5i h PRO 35 CO 0.53 0.56 0.29 1.15 -0.21 0.00 0.00 178.00 180.32 2j5i h THR 36 N 0.87 1.06 -0.71 -1.15 2.02 -2.00 -2.01 112.91 110.99 2j5i h THR 36 Ca 0.45 -0.20 -0.04 0.00 0.77 0.00 0.00 66.41 67.39 2j5i h THR 36 Cb 0.51 0.43 -0.03 0.00 -1.74 0.00 0.00 68.15 67.32 2j5i h THR 36 CO -0.21 0.11 0.30 0.25 0.37 0.00 0.00 175.52 176.33 2j5i h LEU 37 N 0.58 0.96 0.03 2.58 6.46 -1.61 0.02 115.31 124.33 2j5i h LEU 37 Ca 0.19 -0.13 0.01 0.00 -0.12 0.00 0.00 57.88 57.83 2j5i h LEU 37 Cb -0.00 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 39.67 2j5i h LEU 37 CO -0.08 0.84 -0.08 0.78 -0.62 0.00 0.00 178.44 179.29 2j5i h ASN 38 N 1.03 -0.22 -0.82 1.25 2.35 -0.49 0.20 115.58 118.88 2j5i h ASN 38 Ca 0.24 0.03 -0.03 0.00 -0.55 0.00 0.00 56.30 55.99 2j5i h ASN 38 Cb 0.17 0.09 -0.04 0.00 0.05 0.00 0.00 38.32 38.60 2j5i h ASN 38 CO -0.02 -0.12 0.38 0.03 -1.65 0.00 0.00 177.43 176.04 2j5i h ARG 39 N -0.15 1.19 -0.59 0.81 3.08 -0.96 -1.71 114.38 116.03 2j5i h ARG 39 Ca 0.02 -0.19 -0.04 0.00 0.07 0.00 0.00 59.98 59.85 2j5i h ARG 39 Cb 0.17 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 29.99 2j5i h ARG 39 CO -0.06 0.93 0.23 0.93 -1.07 0.00 0.00 179.97 180.93 2j5i h GLU 40 N 1.16 0.89 -0.50 0.04 5.08 -0.74 -2.74 114.58 117.78 2j5i h GLU 40 Ca 0.28 -0.17 -0.04 0.00 -1.00 0.00 0.00 59.36 58.43 2j5i h GLU 40 Cb 0.14 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2j5i h GLU 40 CO -0.03 0.77 0.14 0.52 -1.00 0.00 0.00 179.01 179.41 2j5i h MET 41 N 0.82 0.75 -0.15 2.33 2.86 -0.20 0.32 114.93 121.66 2j5i h MET 41 Ca 0.20 -0.13 0.04 0.00 -2.06 0.00 0.00 59.70 57.74 2j5i h MET 41 Cb 0.21 -0.12 -0.04 0.00 0.06 0.00 0.00 31.60 31.71 2j5i h MET 41 CO -0.01 0.66 -0.11 0.82 1.06 0.00 0.00 176.91 179.32 2j5i h ILE 42 N 0.73 0.67 -0.69 -1.22 2.04 -1.20 -1.23 117.51 116.60 2j5i h ILE 42 Ca 0.17 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.02 2j5i h ILE 42 Cb 0.24 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 2j5i h ILE 42 CO -0.01 0.00 0.41 -0.78 0.00 0.00 0.00 178.15 177.77 2j5i h ASP 43 N -0.12 0.84 -0.13 1.72 3.58 -1.07 -1.34 116.42 119.90 2j5i h ASP 43 Ca 0.09 -0.07 0.04 0.00 0.42 0.00 0.00 57.03 57.52 2j5i h ASP 43 Cb 0.26 -0.21 -0.05 0.00 1.72 0.00 0.00 39.33 41.05 2j5i h ASP 43 CO -0.23 0.66 -0.15 0.58 -2.88 0.00 0.00 179.24 177.23 2j5i h VAL 44 N 0.94 0.60 -0.51 2.25 2.07 -0.71 -0.04 116.25 120.86 2j5i h VAL 44 Ca 0.25 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.66 2j5i h VAL 44 Cb -0.02 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 2j5i h VAL 44 CO -0.05 0.00 -0.12 -0.07 0.02 0.00 0.00 177.57 177.35 2j5i h LEU 45 N -0.18 0.99 -0.53 2.57 3.38 -1.03 0.80 115.31 121.30 2j5i h LEU 45 Ca 0.09 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 2j5i h LEU 45 Cb 0.32 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 2j5i h LEU 45 CO -0.24 1.12 0.30 -0.33 0.09 0.00 0.00 178.44 179.38 2j5i h GLU 46 N 0.84 0.74 -0.22 1.13 5.08 -1.09 -1.62 114.58 119.44 2j5i h GLU 46 Ca 0.13 -0.08 -0.07 0.00 -1.00 0.00 0.00 59.36 58.33 2j5i h GLU 46 Cb 0.69 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 2j5i h GLU 46 CO 0.05 0.57 -0.15 1.15 -1.00 0.00 0.00 179.01 179.63 2j5i h THR 47 N 0.71 1.32 0.00 1.13 2.02 -0.72 -3.07 112.91 114.31 2j5i h THR 47 Ca 0.19 -1.26 -0.07 0.00 0.77 0.00 0.00 66.41 66.04 2j5i h THR 47 Cb 0.04 1.67 -0.01 0.00 -1.74 0.00 0.00 68.15 68.11 2j5i h THR 47 CO -0.03 0.39 -0.32 -0.07 0.37 0.00 0.00 175.52 175.86 2j5i h LEU 48 N 0.18 0.00 -1.13 2.58 3.38 -0.84 -2.39 115.31 117.08 2j5i h LEU 48 Ca 0.04 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.02 2j5i h LEU 48 Cb 0.67 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.38 2j5i h LEU 48 CO 0.04 0.32 0.57 -0.08 0.09 0.00 0.00 178.44 179.38 2j5i h GLU 49 N 0.00 1.15 -0.07 1.13 4.81 -1.19 -2.62 114.58 117.79 2j5i h GLU 49 Ca -0.00 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 2j5i h GLU 49 Cb 0.71 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.83 2j5i h GLU 49 CO 0.04 0.77 0.00 1.04 -0.73 0.00 0.00 179.01 180.13 2j5i n GLN 50 N -4.40 1.93 -3.22 1.92 1.13 -0.93 -4.84 117.38 108.98 2j5i n GLN 50 Ca 0.10 -1.36 -0.41 0.00 -1.94 0.00 0.00 57.00 53.38 2j5i n GLN 50 Cb 0.03 -1.46 -0.08 0.00 0.11 0.00 0.00 30.24 28.84 2j5i n GLN 50 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 2j5i s ASP 51 N -1.89 6.34 0.38 1.08 3.68 -0.99 -4.94 116.67 120.33 2j5i s ASP 51 Ca 0.34 0.00 0.27 0.00 2.13 0.00 0.00 52.55 55.30 2j5i s ASP 51 Cb 0.20 -2.28 1.27 0.00 -1.45 0.00 0.00 42.92 40.67 2j5i s ASP 51 CO 0.31 -0.50 1.83 1.55 0.13 0.00 0.00 175.17 178.49 2j5i h PRO 52 N 8.46 0.00 0.00 4.34 0.13 -1.88 -1.94 132.00 141.11 2j5i h PRO 52 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2j5i h PRO 52 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2j5i h PRO 52 CO 0.79 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.56 2j5i h ALA 53 N 2.12 1.00 -2.82 -0.56 0.00 -1.93 -3.42 119.26 113.65 2j5i h ALA 53 Ca 0.00 0.00 -0.69 0.00 0.00 0.00 0.00 54.91 54.22 2j5i h ALA 53 Cb 0.26 0.00 -0.23 0.00 0.00 0.00 0.00 17.79 17.83 2j5i h ALA 53 CO 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 179.25 178.72 2j5i s ALA 54 N -3.63 3.31 -0.11 0.00 0.00 -0.73 -3.44 121.76 117.16 2j5i s ALA 54 Ca 0.01 -1.51 0.11 0.00 0.00 0.00 0.00 51.96 50.58 2j5i s ALA 54 Cb 0.09 -2.50 -0.15 0.00 0.00 0.00 0.00 23.12 20.56 2j5i s ALA 54 CO 0.50 -1.08 0.05 0.41 0.00 0.00 0.00 175.76 175.64 2j5i n GLY 55 N 5.01 -0.59 3.02 0.00 0.00 0.92 -4.89 105.19 108.66 2j5i n GLY 55 Ca -0.13 -0.21 -0.12 0.00 0.00 0.00 0.00 46.02 45.56 2j5i n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2j5i s VAL 56 N -2.32 0.01 -0.08 1.61 0.11 -0.77 -4.14 120.40 114.82 2j5i s VAL 56 Ca -0.06 -0.09 -0.01 0.00 -2.93 0.00 0.00 61.98 58.89 2j5i s VAL 56 Cb 0.04 -0.22 -0.03 0.00 -1.53 0.00 0.00 36.38 34.63 2j5i s VAL 56 CO 0.49 -0.05 -0.02 -0.76 -3.33 0.00 0.00 175.10 171.43 2j5i s LEU 57 N -0.11 3.44 -0.18 2.54 1.02 -0.48 -0.23 118.68 124.68 2j5i s LEU 57 Ca -0.02 0.08 0.01 0.00 0.02 0.00 0.00 54.13 54.22 2j5i s LEU 57 Cb -0.02 -1.78 0.03 0.00 0.02 0.00 0.00 46.19 44.44 2j5i s LEU 57 CO 0.00 0.36 -0.15 -0.69 0.02 0.00 0.00 176.35 175.90 2j5i s VAL 58 N -0.79 1.79 -0.20 -1.59 1.01 -0.07 -0.97 120.40 119.58 2j5i s VAL 58 Ca 0.12 -0.89 -0.16 0.00 0.00 0.00 0.00 61.98 61.05 2j5i s VAL 58 Cb -0.11 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 2j5i s VAL 58 CO 0.02 0.38 0.39 -0.22 0.00 0.00 0.00 175.10 175.68 2j5i s LEU 59 N 1.37 4.16 0.24 3.92 2.96 0.09 -0.27 118.68 131.14 2j5i s LEU 59 Ca 0.03 0.51 -0.10 0.00 -0.22 0.00 0.00 54.13 54.34 2j5i s LEU 59 Cb -0.14 -2.51 -0.01 0.00 0.50 0.00 0.00 46.19 44.03 2j5i s LEU 59 CO -0.10 -0.07 0.41 0.28 -1.32 0.00 0.00 176.35 175.55 2j5i s THR 60 N 1.29 0.00 0.10 3.68 -1.32 -0.00 -0.75 115.64 118.63 2j5i s THR 60 Ca 0.19 -1.53 0.09 0.00 -1.21 0.00 0.00 61.69 59.23 2j5i s THR 60 Cb -0.15 -2.28 -0.04 0.00 -1.51 0.00 0.00 72.50 68.53 2j5i s THR 60 CO 0.08 0.00 -0.19 -0.83 -2.21 0.00 0.00 174.62 171.47 2j5i s GLY 61 N -3.05 1.65 0.40 6.08 0.00 -1.26 -0.91 107.32 110.23 2j5i s GLY 61 Ca 0.26 -1.32 -0.24 0.00 0.00 0.00 0.00 44.72 43.42 2j5i s GLY 61 CO 0.10 -1.28 1.05 0.00 0.00 0.00 0.00 173.10 172.97 2j5i s ALA 62 N -1.08 3.09 0.00 3.20 0.00 0.72 -4.82 121.76 122.87 2j5i s ALA 62 Ca 0.17 0.70 0.00 0.00 0.00 0.00 0.00 51.96 52.82 2j5i s ALA 62 Cb -0.10 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.74 2j5i s ALA 62 CO 0.08 -0.21 0.00 0.41 0.00 0.00 0.00 175.76 176.05 2j5i n GLY 63 N 0.33 -0.58 0.19 0.00 0.00 -1.26 -4.04 105.19 99.84 2j5i n GLY 63 Ca 0.05 -1.13 0.08 0.00 0.00 0.00 0.00 46.02 45.02 2j5i n GLY 63 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2j5i h GLU 64 N 0.00 0.00 -6.10 1.61 5.08 -1.89 -3.47 114.58 109.82 2j5i h GLU 64 Ca 0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 2j5i h GLU 64 Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 2j5i h GLU 64 CO 0.00 0.26 -0.47 0.00 -1.00 0.00 0.00 179.01 177.79 2j5i s ALA 65 N -3.28 3.90 0.00 3.43 0.00 -1.26 -3.42 121.76 121.13 2j5i s ALA 65 Ca 0.04 -1.10 0.00 0.00 0.00 0.00 0.00 51.96 50.89 2j5i s ALA 65 Cb 0.08 -1.70 0.00 0.00 0.00 0.00 0.00 23.12 21.50 2j5i s ALA 65 CO 0.68 0.47 0.00 1.87 0.00 0.00 0.00 175.76 178.78 2j5i n TRP 66 N -0.69 0.00 -3.72 0.00 -0.00 0.12 -4.11 117.44 109.04 2j5i n TRP 66 Ca -0.08 0.00 -0.12 0.00 -0.00 0.00 0.00 57.50 57.31 2j5i n TRP 66 Cb 0.55 -0.30 -0.11 0.00 -0.00 0.00 0.00 31.31 31.45 2j5i n TRP 66 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 177.69 177.61 2j5i s THR 67 N -0.67 -0.02 -1.41 5.87 -1.32 -0.38 -4.26 115.64 113.45 2j5i s THR 67 Ca 0.00 0.06 0.08 0.00 -1.21 0.00 0.00 61.69 60.63 2j5i s THR 67 Cb 0.00 -0.54 0.14 0.00 -1.51 0.00 0.00 72.50 70.59 2j5i s THR 67 CO 0.00 0.03 1.15 0.00 -2.21 0.00 0.00 174.62 173.58 2j5i n ALA 68 N 3.72 1.56 0.00 11.08 0.00 -0.29 -1.42 120.51 135.16 2j5i n ALA 68 Ca -0.20 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.20 2j5i n ALA 68 Cb 0.56 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.87 2j5i n ALA 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2j5i n GLY 69 N -0.57 -0.83 3.77 0.00 0.00 -1.19 -4.40 105.19 101.97 2j5i n GLY 69 Ca 0.04 -2.13 -0.39 0.00 0.00 0.00 0.00 46.02 43.54 2j5i n GLY 69 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2j5i s MET 70 N 0.00 4.21 -1.07 1.61 -1.94 -1.26 -0.09 119.30 120.76 2j5i s MET 70 Ca 0.00 1.95 -0.22 0.00 -1.71 0.00 0.00 55.69 55.71 2j5i s MET 70 Cb 0.00 -2.86 0.04 0.00 2.01 0.00 0.00 34.83 34.03 2j5i s MET 70 CO 0.00 -0.22 1.55 0.34 -0.01 0.00 0.00 175.02 176.68 2j5i s ASP 71 N -0.90 6.43 0.22 3.03 -1.08 -0.50 -4.60 116.67 119.26 2j5i s ASP 71 Ca 0.53 -1.58 -0.01 0.00 -0.52 0.00 0.00 52.55 50.97 2j5i s ASP 71 Cb -0.34 -2.57 0.20 0.00 -1.46 0.00 0.00 42.92 38.75 2j5i s ASP 71 CO 0.43 -1.58 1.56 -0.07 0.52 0.00 0.00 175.17 176.04 2j5i h LEU 72 N 13.25 0.56 -0.40 -1.34 4.07 -1.91 -0.19 115.31 129.35 2j5i h LEU 72 Ca 0.24 -0.27 0.08 0.00 0.08 0.00 0.00 57.88 58.01 2j5i h LEU 72 Cb 0.98 -0.16 -0.08 0.00 1.08 0.00 0.00 40.66 42.49 2j5i h LEU 72 CO 1.41 0.95 -0.10 0.50 -1.08 0.00 0.00 178.44 180.12 2j5i h LYS 73 N 0.41 -0.00 -0.18 1.13 3.64 -1.99 0.27 116.57 119.85 2j5i h LYS 73 Ca 0.02 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.21 2j5i h LYS 73 Cb 0.98 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.81 2j5i h LYS 73 CO 0.09 -0.00 -0.65 1.49 -2.27 0.00 0.00 179.45 178.11 2j5i h GLU 74 N -0.00 0.75 -0.13 1.90 4.57 -1.92 -1.64 114.58 118.10 2j5i h GLU 74 Ca 0.19 -0.57 0.04 0.00 -1.18 0.00 0.00 59.36 57.85 2j5i h GLU 74 Cb 0.30 0.11 -0.05 0.00 -0.16 0.00 0.00 28.75 28.95 2j5i h GLU 74 CO -0.42 1.19 -0.17 -0.92 -1.18 0.00 0.00 179.01 177.51 2j5i h TYR 75 N 0.46 -0.43 -0.72 0.92 5.03 -0.73 -2.05 116.97 119.45 2j5i h TYR 75 Ca -0.03 0.02 -0.06 0.00 2.58 0.00 0.00 58.73 61.25 2j5i h TYR 75 Cb 1.27 0.21 -0.03 0.00 1.55 0.00 0.00 36.73 39.73 2j5i h TYR 75 CO 0.09 -0.24 0.23 0.74 -1.32 0.00 0.00 178.16 177.66 2j5i h PHE 76 N -0.21 1.13 -0.25 -3.82 0.05 -0.42 -0.84 116.94 112.58 2j5i h PHE 76 Ca 0.10 -0.11 0.06 0.00 3.82 0.00 0.00 57.97 61.84 2j5i h PHE 76 Cb 0.35 -0.33 -0.06 0.00 2.00 0.00 0.00 35.95 37.91 2j5i h PHE 76 CO -0.28 0.89 -0.15 -0.09 -0.18 0.00 0.00 178.31 178.50 2j5i h ARG 77 N 1.06 -0.13 -0.25 1.51 2.43 -1.00 -0.09 114.38 117.91 2j5i h ARG 77 Ca 0.23 0.01 -0.19 0.00 -0.81 0.00 0.00 59.98 59.22 2j5i h ARG 77 Cb 0.29 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 2j5i h ARG 77 CO -0.01 -0.08 -0.58 0.93 -1.51 0.00 0.00 179.97 178.72 2j5i h GLU 78 N -0.13 0.81 -0.41 0.20 5.08 -1.09 -1.71 114.58 117.32 2j5i h GLU 78 Ca 0.14 -0.54 -0.14 0.00 -1.00 0.00 0.00 59.36 57.82 2j5i h GLU 78 Cb 0.34 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 2j5i h GLU 78 CO -0.33 1.16 -0.31 0.28 -1.00 0.00 0.00 179.01 178.81 2j5i h VAL 79 N 0.61 1.27 -0.68 3.13 2.07 -1.04 -0.03 116.25 121.58 2j5i h VAL 79 Ca 0.00 -1.48 -0.03 0.00 0.82 0.00 0.00 66.70 66.02 2j5i h VAL 79 Cb 1.18 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 32.20 2j5i h VAL 79 CO 0.12 0.50 0.32 0.44 0.02 0.00 0.00 177.57 178.97 2j5i h ASP 80 N 0.77 0.90 1.13 0.57 3.32 -0.95 -3.20 116.42 118.97 2j5i h ASP 80 Ca 0.08 -0.14 -0.14 0.00 0.02 0.00 0.00 57.03 56.85 2j5i h ASP 80 Cb 0.89 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.18 2j5i h ASP 80 CO 0.08 0.79 -0.91 0.00 -1.72 0.00 0.00 179.24 177.48 2j5i h ALA 81 N 1.15 0.63 -1.68 3.45 0.00 -1.17 -3.47 119.26 118.17 2j5i h ALA 81 Ca 0.23 -0.66 -0.45 0.00 0.00 0.00 0.00 54.91 54.03 2j5i h ALA 81 Cb 0.13 0.05 0.14 0.00 0.00 0.00 0.00 17.79 18.12 2j5i h ALA 81 CO -0.03 0.81 0.31 0.20 0.00 0.00 0.00 179.25 180.55 2j5i s GLY 82 N -4.62 1.79 0.78 0.00 0.00 -0.04 -5.07 107.32 100.16 2j5i s GLY 82 Ca 0.01 -1.48 -0.11 0.00 0.00 0.00 0.00 44.72 43.15 2j5i s GLY 82 CO 0.78 -0.74 1.09 2.56 0.00 0.00 0.00 173.10 176.79 2j5i s PRO 83 N -5.66 2.20 0.28 2.90 0.04 -1.26 -4.91 135.00 128.58 2j5i s PRO 83 Ca 0.73 1.19 0.02 0.00 0.04 0.00 0.00 61.00 62.98 2j5i s PRO 83 Cb -0.03 -1.89 0.64 0.00 0.04 0.00 0.00 34.50 33.25 2j5i s PRO 83 CO 0.50 -1.69 1.75 1.49 0.04 0.00 0.00 177.00 179.09 2j5i h GLU 84 N -1.15 0.57 0.00 4.56 4.22 -1.98 -0.92 114.58 119.88 2j5i h GLU 84 Ca -0.44 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 58.97 2j5i h GLU 84 Cb 1.23 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.36 2j5i h GLU 84 CO 0.51 0.38 0.00 1.51 -2.18 0.00 0.00 179.01 179.22 2j5i n ILE 85 N -4.90 0.94 0.17 2.32 3.06 -1.26 -2.39 119.36 117.31 2j5i n ILE 85 Ca 0.20 0.24 0.02 0.00 -2.50 0.00 0.00 62.75 60.71 2j5i n ILE 85 Cb 0.53 -1.00 0.38 0.00 0.54 0.00 0.00 39.64 40.09 2j5i n ILE 85 CO 0.00 0.00 0.00 0.25 -2.50 0.00 0.00 176.55 174.30 2j5i h LEU 86 N 0.00 0.06 -0.98 9.51 5.85 -1.51 -2.48 115.31 125.76 2j5i h LEU 86 Ca 0.00 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.72 2j5i h LEU 86 Cb 0.27 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.24 2j5i h LEU 86 CO 0.00 0.37 0.65 -0.61 -0.34 0.00 0.00 178.44 178.50 2j5i h GLN 87 N 0.06 1.27 -0.64 1.25 4.15 -1.64 -0.97 115.11 118.59 2j5i h GLN 87 Ca 0.01 -0.08 0.03 0.00 0.77 0.00 0.00 58.65 59.38 2j5i h GLN 87 Cb 0.56 -0.29 -0.04 0.00 0.21 0.00 0.00 27.48 27.93 2j5i h GLN 87 CO 0.04 0.84 0.40 0.93 -1.93 0.00 0.00 178.83 179.11 2j5i h GLU 88 N 1.31 0.76 -0.30 1.69 3.07 -1.64 -1.21 114.58 118.26 2j5i h GLU 88 Ca 0.37 -0.05 -0.03 0.00 -0.50 0.00 0.00 59.36 59.15 2j5i h GLU 88 Cb -0.11 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 27.62 2j5i h GLU 88 CO -0.09 0.50 0.06 -0.22 -1.40 0.00 0.00 179.01 177.86 2j5i h LYS 89 N 0.78 0.49 -0.35 2.33 3.64 -1.30 -1.11 116.57 121.05 2j5i h LYS 89 Ca 0.26 -0.13 -0.04 0.00 -1.27 0.00 0.00 60.65 59.47 2j5i h LYS 89 Cb 0.02 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 2j5i h LYS 89 CO -0.10 0.58 0.04 0.82 -2.27 0.00 0.00 179.45 178.52 2j5i h ILE 90 N 0.31 1.24 -0.72 2.00 2.04 -0.99 -0.39 117.51 121.00 2j5i h ILE 90 Ca 0.09 -0.86 -0.06 0.00 1.00 0.00 0.00 64.86 65.03 2j5i h ILE 90 Cb 0.32 1.14 -0.03 0.00 -0.74 0.00 0.00 36.82 37.51 2j5i h ILE 90 CO 0.00 0.29 0.23 0.03 0.00 0.00 0.00 178.15 178.70 2j5i h ARG 91 N 0.41 1.12 -0.57 2.37 3.08 -1.19 -1.07 114.38 118.52 2j5i h ARG 91 Ca 0.10 -0.23 -0.04 0.00 0.07 0.00 0.00 59.98 59.88 2j5i h ARG 91 Cb 0.38 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 2j5i h ARG 91 CO 0.01 0.94 0.20 -0.09 -1.07 0.00 0.00 179.97 179.96 2j5i h ARG 92 N 1.07 0.87 -0.51 0.04 2.43 -0.85 -2.00 114.38 115.43 2j5i h ARG 92 Ca 0.24 -0.18 -0.08 0.00 -0.81 0.00 0.00 59.98 59.15 2j5i h ARG 92 Cb 0.29 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 2j5i h ARG 92 CO -0.01 0.77 0.01 0.93 -1.51 0.00 0.00 179.97 180.16 2j5i h GLU 93 N 0.79 0.85 0.20 0.20 5.08 -0.85 0.35 114.58 121.20 2j5i h GLU 93 Ca 0.19 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 2j5i h GLU 93 Cb 0.25 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2j5i h GLU 93 CO -0.01 0.85 -0.09 0.00 -1.00 0.00 0.00 179.01 178.75 2j5i h ALA 94 N 1.21 -0.26 -0.23 3.43 0.00 -1.01 -2.75 119.26 119.65 2j5i h ALA 94 Ca 0.15 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2j5i h ALA 94 Cb 0.46 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2j5i h ALA 94 CO 0.02 -0.63 0.04 0.77 0.00 0.00 0.00 179.25 179.45 2j5i h SER 95 N -0.31 0.29 -0.21 0.00 0.02 -1.15 -1.85 113.55 110.34 2j5i h SER 95 Ca -0.03 -0.03 0.02 0.00 -0.84 0.00 0.00 61.79 60.92 2j5i h SER 95 Cb 0.24 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.68 2j5i h SER 95 CO 0.04 0.32 0.05 -0.61 -1.14 0.00 0.00 176.83 175.49 2j5i h GLN 96 N 0.32 0.13 0.01 3.45 5.75 -0.62 0.14 115.11 124.31 2j5i h GLN 96 Ca 0.08 -0.01 -0.30 0.00 -0.15 0.00 0.00 58.65 58.27 2j5i h GLN 96 Cb 0.16 -0.03 -0.05 0.00 1.07 0.00 0.00 27.48 28.63 2j5i h GLN 96 CO -0.00 0.09 -1.71 0.11 -2.65 0.00 0.00 178.83 174.67 2j5i h TRP 97 N 0.14 0.05 -0.17 3.99 5.08 -1.52 0.16 115.95 123.67 2j5i h TRP 97 Ca 0.09 -0.03 -0.08 0.00 1.08 0.00 0.00 58.89 59.95 2j5i h TRP 97 Cb 0.08 -0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.22 2j5i h TRP 97 CO -0.14 1.07 -0.26 1.96 -1.28 0.00 0.00 178.44 179.80 2j5i h GLN 98 N 0.01 0.32 0.00 0.12 4.20 -1.23 -3.33 115.11 115.19 2j5i h GLN 98 Ca -0.29 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.31 2j5i h GLN 98 Cb 2.01 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.77 2j5i h GLN 98 CO 0.08 0.56 0.00 -2.67 -0.67 0.00 0.00 178.83 176.13 2j5i n TRP 99 N -4.14 0.00 -0.13 2.96 4.27 -0.83 -3.65 117.44 115.91 2j5i n TRP 99 Ca -0.01 0.00 -0.09 0.00 -3.89 0.00 0.00 57.50 53.51 2j5i n TRP 99 Cb 0.38 0.00 -0.01 0.00 -1.36 0.00 0.00 31.31 30.32 2j5i n TRP 99 CO 0.00 0.00 0.00 0.87 -2.29 0.00 0.00 177.69 176.27 2j5i h LYS 100 N 0.00 0.59 0.21 -2.67 1.57 -0.71 -1.17 116.57 114.39 2j5i h LYS 100 Ca 0.00 -0.11 -0.31 0.00 -1.87 0.00 0.00 60.65 58.36 2j5i h LYS 100 Cb 0.00 -0.10 0.03 0.00 0.08 0.00 0.00 32.23 32.24 2j5i h LYS 100 CO 0.00 0.56 -1.39 -0.07 -0.57 0.00 0.00 179.45 177.98 2j5i h LEU 101 N 0.50 0.70 0.15 2.94 3.38 -0.90 -3.42 115.31 118.66 2j5i h LEU 101 Ca 0.13 -0.74 -0.31 0.00 0.09 0.00 0.00 57.88 57.05 2j5i h LEU 101 Cb 0.19 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 40.71 2j5i h LEU 101 CO -0.01 1.58 -1.49 0.25 0.09 0.00 0.00 178.44 178.86 2j5i h LEU 102 N 0.13 0.51 -0.65 1.67 5.85 -1.63 -2.97 115.31 118.22 2j5i h LEU 102 Ca -0.21 -0.63 -0.11 0.00 0.84 0.00 0.00 57.88 57.77 2j5i h LEU 102 Cb 2.09 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.94 2j5i h LEU 102 CO 0.25 1.52 -0.12 -0.09 -0.34 0.00 0.00 178.44 179.66 2j5i h ARG 103 N 0.09 0.94 -1.00 1.25 2.43 -1.36 -2.52 114.38 114.21 2j5i h ARG 103 Ca -0.23 -0.34 -0.62 0.00 -0.81 0.00 0.00 59.98 57.97 2j5i h ARG 103 Cb 2.04 -0.06 -0.36 0.00 -0.42 0.00 0.00 29.97 31.17 2j5i h ARG 103 CO 0.19 1.00 0.04 -1.33 -1.51 0.00 0.00 179.97 178.36 2j5i n MET 104 N -4.15 3.15 -1.97 0.20 2.81 -1.26 -4.90 117.12 111.01 2j5i n MET 104 Ca 0.01 -3.77 -0.39 0.00 -1.81 0.00 0.00 57.70 51.74 2j5i n MET 104 Cb 0.40 -2.28 0.01 0.00 -0.71 0.00 0.00 33.22 30.63 2j5i n MET 104 CO 0.00 0.00 0.00 -0.47 1.51 0.00 0.00 175.97 177.01 2j5i s TYR 105 N -3.73 2.63 0.44 2.03 6.04 -0.95 -4.89 117.35 118.92 2j5i s TYR 105 Ca 0.57 1.40 0.30 0.00 0.04 0.00 0.00 57.07 59.38 2j5i s TYR 105 Cb 0.45 -3.70 1.61 0.00 -1.04 0.00 0.00 41.96 39.29 2j5i s TYR 105 CO -0.03 -2.35 2.13 0.00 -1.54 0.00 0.00 175.55 173.76 2j5i h ALA 106 N 2.20 1.26 -2.94 3.97 0.00 -1.92 -3.43 119.26 118.40 2j5i h ALA 106 Ca -0.50 -0.07 -0.61 0.00 0.00 0.00 0.00 54.91 53.72 2j5i h ALA 106 Cb 1.26 -0.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.92 2j5i h ALA 106 CO 0.61 0.10 -0.69 0.15 0.00 0.00 0.00 179.25 179.42 2j5i s LYS 107 N -4.21 2.26 0.54 0.00 1.02 -1.26 -4.66 119.74 113.44 2j5i s LYS 107 Ca -0.03 -1.17 -0.21 0.00 0.02 0.00 0.00 55.97 54.58 2j5i s LYS 107 Cb 0.13 -2.28 -0.05 0.00 -0.52 0.00 0.00 37.83 35.11 2j5i s LYS 107 CO 0.56 0.45 1.25 -1.25 -0.92 0.00 0.00 175.35 175.44 2j5i s PRO 108 N -2.88 3.24 0.02 -1.68 0.04 -1.26 -4.88 135.00 127.60 2j5i s PRO 108 Ca 0.26 1.97 0.03 0.00 0.04 0.00 0.00 61.00 63.30 2j5i s PRO 108 Cb -0.09 -2.18 -0.01 0.00 0.04 0.00 0.00 34.50 32.25 2j5i s PRO 108 CO 0.17 -1.03 -0.09 0.95 0.04 0.00 0.00 177.00 177.05 2j5i s THR 109 N -1.46 0.65 -0.03 1.26 -4.23 -1.26 -1.39 115.64 109.18 2j5i s THR 109 Ca 0.72 -0.68 0.01 0.00 -1.18 0.00 0.00 61.69 60.56 2j5i s THR 109 Cb -0.34 -0.61 0.01 0.00 1.34 0.00 0.00 72.50 72.91 2j5i s THR 109 CO 0.39 -0.04 -0.05 -0.63 -0.54 0.00 0.00 174.62 173.74 2j5i s ILE 110 N -0.67 0.53 -0.08 2.99 1.01 -0.14 -1.95 121.20 122.88 2j5i s ILE 110 Ca -0.01 -0.17 -0.20 0.00 0.00 0.00 0.00 60.65 60.26 2j5i s ILE 110 Cb -0.06 -0.53 -0.04 0.00 0.01 0.00 0.00 42.46 41.84 2j5i s ILE 110 CO 0.00 0.20 0.58 0.00 0.00 0.00 0.00 174.94 175.72 2j5i s ALA 111 N 0.57 3.42 -0.47 9.38 0.00 -0.04 -0.73 121.76 133.89 2j5i s ALA 111 Ca -0.07 -0.04 -0.01 0.00 0.00 0.00 0.00 51.96 51.84 2j5i s ALA 111 Cb -0.11 -2.78 0.12 0.00 0.00 0.00 0.00 23.12 20.36 2j5i s ALA 111 CO 0.00 -0.02 0.25 1.41 0.00 0.00 0.00 175.76 177.40 2j5i s MET 112 N 0.59 2.05 -0.60 0.00 1.75 0.07 -1.11 119.30 122.05 2j5i s MET 112 Ca 0.31 -2.12 -0.19 0.00 -1.25 0.00 0.00 55.69 52.44 2j5i s MET 112 Cb -0.16 -3.52 0.10 0.00 2.84 0.00 0.00 34.83 34.09 2j5i s MET 112 CO 0.14 -1.08 0.72 0.08 -0.65 0.00 0.00 175.02 174.23 2j5i s VAL 113 N 0.59 4.80 -0.62 10.11 1.01 0.16 -4.44 120.40 132.02 2j5i s VAL 113 Ca 0.12 -0.98 0.24 0.00 0.00 0.00 0.00 61.98 61.37 2j5i s VAL 113 Cb -0.22 -4.50 0.12 0.00 0.00 0.00 0.00 36.38 31.78 2j5i s VAL 113 CO -0.04 -1.15 1.43 -0.55 0.00 0.00 0.00 175.10 174.79 2j5i h ASN 114 N 9.20 0.00 0.00 3.32 -1.07 -1.88 -1.18 115.58 123.97 2j5i h ASN 114 Ca -0.29 -0.13 0.00 0.00 0.07 0.00 0.00 56.30 55.95 2j5i h ASN 114 Cb 1.09 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.34 2j5i h ASN 114 CO 1.11 0.07 0.00 0.61 0.07 0.00 0.00 177.43 179.28 2j5i n GLY 115 N 1.31 1.85 3.64 9.14 0.00 -1.25 -4.67 105.19 115.21 2j5i n GLY 115 Ca 0.04 -0.03 -0.55 0.00 0.00 0.00 0.00 46.02 45.47 2j5i n GLY 115 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2j5i n TRP 116 N 0.00 1.72 -3.72 1.61 7.02 -1.22 -3.79 117.44 119.05 2j5i n TRP 116 Ca 0.00 0.63 -0.29 0.00 -1.02 0.00 0.00 57.50 56.82 2j5i n TRP 116 Cb 0.00 -2.37 -0.16 0.00 -2.42 0.00 0.00 31.31 26.36 2j5i n TRP 116 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2j5i s PHE 118 N 1.76 1.80 0.00 0.00 0.40 -0.50 -2.20 117.98 119.23 2j5i s PHE 118 Ca 0.05 -0.44 0.00 0.00 -0.60 0.00 0.00 56.93 55.94 2j5i s PHE 118 Cb -0.17 -0.95 0.00 0.00 0.51 0.00 0.00 43.02 42.41 2j5i s PHE 118 CO -0.19 0.25 0.00 0.41 0.70 0.00 0.00 175.22 176.39 2j5i n GLY 119 N 0.79 2.97 0.35 4.36 0.00 -0.63 -1.46 105.19 111.56 2j5i n GLY 119 Ca -0.17 0.30 0.18 0.00 0.00 0.00 0.00 46.02 46.32 2j5i n GLY 119 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2j5i h GLY 120 N 0.00 0.00 2.00 -0.02 0.00 -1.88 -0.74 103.07 102.43 2j5i h GLY 120 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2j5i h GLY 120 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 176.54 175.21 2j5i h GLY 121 N 0.00 0.00 2.00 4.60 0.00 -1.53 -2.60 103.07 105.54 2j5i h GLY 121 Ca 0.10 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.35 2j5i h GLY 121 CO -0.00 0.00 -0.37 0.74 0.00 0.00 0.00 176.54 176.91 2j5i h PHE 122 N 0.00 0.00 0.61 5.60 -1.00 -1.33 -2.20 116.94 118.62 2j5i h PHE 122 Ca 0.00 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.75 2j5i h PHE 122 Cb 0.03 0.00 0.01 0.00 3.61 0.00 0.00 35.95 39.59 2j5i h PHE 122 CO 0.00 0.37 -0.29 0.77 -1.61 0.00 0.00 178.31 177.55 2j5i h SER 123 N 0.00 -0.70 0.20 2.17 0.02 -1.69 -2.38 113.55 111.18 2j5i h SER 123 Ca -0.00 -0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 60.89 2j5i h SER 123 Cb 0.95 0.18 -0.00 0.00 0.14 0.00 0.00 62.40 63.66 2j5i h SER 123 CO 0.05 -0.37 -0.15 1.55 -1.14 0.00 0.00 176.83 176.77 2j5i h PRO 124 N -1.02 0.00 -0.56 3.45 0.13 -1.62 0.22 132.00 132.59 2j5i h PRO 124 Ca -0.08 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 65.12 2j5i h PRO 124 Cb 0.68 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.75 2j5i h PRO 124 CO 0.14 0.15 0.22 1.25 -0.23 0.00 0.00 178.00 179.53 2j5i h LEU 125 N 0.00 0.25 0.00 1.56 5.85 -1.27 -0.91 115.31 120.78 2j5i h LEU 125 Ca -0.00 0.06 -0.17 0.00 0.84 0.00 0.00 57.88 58.61 2j5i h LEU 125 Cb 0.29 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 2j5i h LEU 125 CO 0.02 0.16 -1.22 0.58 -0.34 0.00 0.00 178.44 177.64 2j5i h VAL 126 N 0.42 0.71 -0.66 1.05 2.07 -0.98 -3.25 116.25 115.61 2j5i h VAL 126 Ca 0.27 -2.23 -0.03 0.00 0.82 0.00 0.00 66.70 65.53 2j5i h VAL 126 Cb 0.29 2.22 -0.03 0.00 -1.52 0.00 0.00 31.29 32.26 2j5i h VAL 126 CO -0.26 0.40 0.28 0.00 0.02 0.00 0.00 177.57 178.02 2j5i h ALA 127 N 1.36 1.26 -2.73 1.67 0.00 -0.72 -3.42 119.26 116.68 2j5i h ALA 127 Ca -0.13 -0.15 -0.54 0.00 0.00 0.00 0.00 54.91 54.08 2j5i h ALA 127 Cb 1.61 -0.26 0.09 0.00 0.00 0.00 0.00 17.79 19.23 2j5i h ALA 127 CO 0.06 0.55 0.80 0.00 0.00 0.00 0.00 179.25 180.66 2j5i h ASP 129 N 4.17 -0.29 -2.99 0.00 3.45 -1.65 -3.45 116.42 115.67 2j5i h ASP 129 Ca -0.47 0.03 -0.48 0.00 0.43 0.00 0.00 57.03 56.54 2j5i h ASP 129 Cb 1.24 0.11 -0.14 0.00 -0.56 0.00 0.00 39.33 39.98 2j5i h ASP 129 CO 0.74 -0.16 -0.70 -0.76 -1.57 0.00 0.00 179.24 176.80 2j5i s LEU 130 N -10.25 2.51 -0.17 1.55 1.43 -0.96 -5.04 118.68 107.76 2j5i s LEU 130 Ca -0.14 -1.13 -0.14 0.00 -1.03 0.00 0.00 54.13 51.69 2j5i s LEU 130 Cb 0.07 -0.67 0.05 0.00 0.03 0.00 0.00 46.19 45.67 2j5i s LEU 130 CO 0.66 -0.27 0.44 0.00 0.23 0.00 0.00 176.35 177.41 2j5i s ALA 131 N -2.98 -1.10 -0.03 4.21 0.00 -1.26 -0.86 121.76 119.74 2j5i s ALA 131 Ca 0.27 1.35 0.05 0.00 0.00 0.00 0.00 51.96 53.63 2j5i s ALA 131 Cb 0.02 -0.80 -0.01 0.00 0.00 0.00 0.00 23.12 22.33 2j5i s ALA 131 CO 0.10 -0.23 -0.18 0.42 0.00 0.00 0.00 175.76 175.88 2j5i s ILE 132 N 0.58 1.44 0.26 0.00 -1.09 -0.26 -0.63 121.20 121.50 2j5i s ILE 132 Ca -0.03 -0.75 0.05 0.00 -2.23 0.00 0.00 60.65 57.69 2j5i s ILE 132 Cb -0.05 -1.22 -0.05 0.00 -1.58 0.00 0.00 42.46 39.56 2j5i s ILE 132 CO -0.03 0.41 -0.03 0.00 -1.23 0.00 0.00 174.94 174.05 2j5i s ALA 134 N -3.20 3.26 0.42 0.00 0.00 -0.45 -1.42 121.76 120.37 2j5i s ALA 134 Ca 0.29 0.33 0.14 0.00 0.00 0.00 0.00 51.96 52.72 2j5i s ALA 134 Cb 0.05 -3.01 1.01 0.00 0.00 0.00 0.00 23.12 21.16 2j5i s ALA 134 CO 0.10 0.23 1.93 -0.44 0.00 0.00 0.00 175.76 177.59 2j5i h ASP 135 N 2.95 0.42 0.86 0.00 3.32 -1.11 -1.50 116.42 121.37 2j5i h ASP 135 Ca -0.48 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.59 2j5i h ASP 135 Cb 1.19 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.67 2j5i h ASP 135 CO 0.64 0.23 0.00 -0.62 -1.72 0.00 0.00 179.24 177.77 2j5i n GLU 136 N -4.48 0.01 -2.25 3.56 4.71 -1.26 -2.85 120.64 118.07 2j5i n GLU 136 Ca 0.14 0.08 -0.36 0.00 -0.01 0.00 0.00 57.16 57.01 2j5i n GLU 136 Cb 0.48 -1.51 -0.00 0.00 -1.01 0.00 0.00 31.44 29.40 2j5i n GLU 136 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2j5i s ALA 137 N -3.00 2.78 -0.08 0.62 0.00 -0.56 -4.90 121.76 116.62 2j5i s ALA 137 Ca 0.12 0.87 0.05 0.00 0.00 0.00 0.00 51.96 52.99 2j5i s ALA 137 Cb 0.16 -3.37 -0.01 0.00 0.00 0.00 0.00 23.12 19.90 2j5i s ALA 137 CO 0.45 -0.75 -0.24 0.99 0.00 0.00 0.00 175.76 176.22 2j5i s THR 138 N -1.69 2.13 0.11 0.00 2.01 -1.26 -2.55 115.64 114.38 2j5i s THR 138 Ca 0.70 -1.02 0.09 0.00 0.31 0.00 0.00 61.69 61.76 2j5i s THR 138 Cb -0.26 -1.79 -0.04 0.00 0.01 0.00 0.00 72.50 70.43 2j5i s THR 138 CO 0.29 0.57 -0.17 -0.36 -0.69 0.00 0.00 174.62 174.26 2j5i s PHE 139 N 0.02 2.56 -0.18 4.92 0.40 0.85 -1.13 117.98 125.41 2j5i s PHE 139 Ca -0.09 -0.25 -0.29 0.00 -0.60 0.00 0.00 56.93 55.70 2j5i s PHE 139 Cb -0.15 -1.36 0.13 0.00 0.51 0.00 0.00 43.02 42.14 2j5i s PHE 139 CO 0.05 0.38 1.00 0.20 0.70 0.00 0.00 175.22 177.55 2j5i s GLY 140 N -2.08 -0.25 -0.99 4.36 0.00 -0.93 -1.23 107.32 106.20 2j5i s GLY 140 Ca 0.18 2.12 -0.03 0.00 0.00 0.00 0.00 44.72 46.99 2j5i s GLY 140 CO 0.10 1.15 1.14 1.04 0.00 0.00 0.00 173.10 176.53 2j5i n LEU 141 N 0.94 5.35 -0.17 0.66 7.99 -1.26 -1.61 117.00 128.90 2j5i n LEU 141 Ca -0.11 -5.19 0.14 0.00 -0.01 0.00 0.00 56.01 50.84 2j5i n LEU 141 Cb 0.58 -1.20 0.55 0.00 -0.11 0.00 0.00 43.42 43.24 2j5i n LEU 141 CO 0.14 1.64 0.82 -1.54 -1.51 0.00 0.00 177.39 176.94 2j5i n SER 142 N 1.79 0.66 -0.08 -1.43 3.41 -1.26 -3.93 113.62 112.78 2j5i n SER 142 Ca 0.25 -0.72 0.17 0.00 -0.26 0.00 0.00 58.87 58.31 2j5i n SER 142 Cb 0.36 -0.01 0.58 0.00 -0.26 0.00 0.00 64.21 64.89 2j5i n SER 142 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 2j5i h GLU 143 N 0.82 0.23 -0.90 4.33 9.09 -1.89 -0.46 114.58 125.81 2j5i h GLU 143 Ca 0.00 -0.01 0.06 0.00 0.05 0.00 0.00 59.36 59.46 2j5i h GLU 143 Cb 0.40 -0.05 -0.06 0.00 -1.65 0.00 0.00 28.75 27.39 2j5i h GLU 143 CO 0.00 0.15 0.58 0.97 0.05 0.00 0.00 179.01 180.76 2j5i h ILE 144 N 0.24 1.08 0.00 -1.06 2.10 -1.63 -0.12 117.51 118.11 2j5i h ILE 144 Ca 0.31 -0.35 0.00 0.00 1.08 0.00 0.00 64.86 65.89 2j5i h ILE 144 Cb 0.88 -0.04 0.00 0.00 -1.09 0.00 0.00 36.82 36.57 2j5i h ILE 144 CO -0.06 0.19 0.00 0.78 -1.08 0.00 0.00 178.15 177.98 2j5i h ASN 145 N 1.03 0.00 -0.40 2.19 2.35 -1.37 -1.98 115.58 117.39 2j5i h ASN 145 Ca 0.38 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 56.08 2j5i h ASN 145 Cb 0.17 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.51 2j5i h ASN 145 CO -0.14 0.00 0.04 0.79 -1.65 0.00 0.00 177.43 176.47 2j5i n TRP 146 N -2.42 1.41 -2.05 1.19 5.03 -0.12 -4.97 117.44 115.50 2j5i n TRP 146 Ca 0.02 -0.98 -0.08 0.00 3.03 0.00 0.00 57.50 59.49 2j5i n TRP 146 Cb 0.24 -0.43 -0.01 0.00 -1.03 0.00 0.00 31.31 30.08 2j5i n TRP 146 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 2j5i n GLY 147 N -0.32 0.15 3.03 6.99 0.00 -0.74 -5.03 105.19 109.26 2j5i n GLY 147 Ca 0.27 -0.58 -0.19 0.00 0.00 0.00 0.00 46.02 45.52 2j5i n GLY 147 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2j5i s ILE 148 N -2.37 0.75 0.86 -0.61 -4.36 -0.82 -5.02 121.20 109.62 2j5i s ILE 148 Ca 0.00 -0.40 -0.12 0.00 -0.26 0.00 0.00 60.65 59.87 2j5i s ILE 148 Cb 0.00 -0.63 0.11 0.00 1.25 0.00 0.00 42.46 43.18 2j5i s ILE 148 CO 0.00 0.21 1.13 -2.16 0.24 0.00 0.00 174.94 174.37 2j5i s PRO 149 N -0.17 1.58 0.10 0.37 0.04 -1.26 -2.72 135.00 132.94 2j5i s PRO 149 Ca 0.03 0.35 -0.34 0.00 0.04 0.00 0.00 61.00 61.08 2j5i s PRO 149 Cb -0.04 -1.89 -0.13 0.00 0.04 0.00 0.00 34.50 32.48 2j5i s PRO 149 CO -0.00 -1.91 1.68 -2.30 0.04 0.00 0.00 177.00 174.51 2j5i n PRO 150 N -3.58 2.26 -2.95 0.56 -0.02 -1.26 -4.89 135.00 125.12 2j5i n PRO 150 Ca 0.07 0.82 -0.19 0.00 -2.02 0.00 0.00 63.50 62.18 2j5i n PRO 150 Cb 0.59 -2.62 0.04 0.00 -0.02 0.00 0.00 33.50 31.49 2j5i n PRO 150 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2j5i s GLY 151 N 1.84 1.84 0.00 -1.23 0.00 -1.26 -4.75 107.32 103.75 2j5i s GLY 151 Ca 0.82 -1.83 0.00 0.00 0.00 0.00 0.00 44.72 43.71 2j5i s GLY 151 CO 0.41 -1.50 0.00 -2.01 0.00 0.00 0.00 173.10 170.00 2j5i n ASN 152 N -2.14 0.00 -1.38 1.64 5.15 -1.26 -2.79 115.26 114.48 2j5i n ASN 152 Ca 0.12 0.00 0.10 0.00 -0.60 0.00 0.00 54.58 54.19 2j5i n ASN 152 Cb 0.60 0.00 0.32 0.00 -0.53 0.00 0.00 39.78 40.17 2j5i n ASN 152 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2j5i n LEU 153 N 0.00 4.05 -0.21 1.20 7.99 -1.26 -4.58 117.00 124.20 2j5i n LEU 153 Ca 0.00 -2.04 0.01 0.00 -0.01 0.00 0.00 56.01 53.98 2j5i n LEU 153 Cb 0.00 -0.51 0.11 0.00 -0.11 0.00 0.00 43.42 42.91 2j5i n LEU 153 CO 0.00 0.81 0.87 0.58 -1.51 0.00 0.00 177.39 178.15 2j5i h VAL 154 N 3.83 0.54 -0.26 4.08 2.07 -1.84 -0.47 116.25 124.21 2j5i h VAL 154 Ca 0.00 -0.06 -0.11 0.00 0.82 0.00 0.00 66.70 67.35 2j5i h VAL 154 Cb 1.15 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 2j5i h VAL 154 CO 0.12 0.03 -0.30 0.28 0.02 0.00 0.00 177.57 177.73 2j5i h SER 155 N 0.18 0.54 -0.08 0.57 0.02 -1.84 -1.83 113.55 111.12 2j5i h SER 155 Ca 0.33 -0.20 -0.14 0.00 -0.84 0.00 0.00 61.79 60.94 2j5i h SER 155 Cb 0.53 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 2j5i h SER 155 CO -0.48 0.82 -0.41 0.50 -1.14 0.00 0.00 176.83 176.12 2j5i h LYS 156 N 0.46 0.60 -0.68 3.45 1.63 -1.74 -0.48 116.57 119.82 2j5i h LYS 156 Ca 0.06 -0.31 0.01 0.00 -0.85 0.00 0.00 60.65 59.56 2j5i h LYS 156 Cb 0.75 0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 32.35 2j5i h LYS 156 CO 0.06 0.90 0.45 0.00 -3.45 0.00 0.00 179.45 177.41 2j5i h ALA 157 N 1.06 0.86 -0.08 5.00 0.00 -0.76 0.06 119.26 125.40 2j5i h ALA 157 Ca 0.04 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2j5i h ALA 157 Cb 0.92 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 2j5i h ALA 157 CO 0.08 0.28 0.01 0.52 0.00 0.00 0.00 179.25 180.14 2j5i h MET 158 N 0.92 0.13 -1.00 0.00 2.86 -1.20 -3.01 114.93 113.63 2j5i h MET 158 Ca 0.25 -0.04 0.14 0.00 -2.06 0.00 0.00 59.70 58.00 2j5i h MET 158 Cb -0.10 -0.01 -0.09 0.00 0.06 0.00 0.00 31.60 31.45 2j5i h MET 158 CO -0.06 0.36 0.62 0.00 1.06 0.00 0.00 176.91 178.90 2j5i h ALA 159 N 0.76 1.60 0.00 6.32 0.00 -0.75 0.17 119.26 127.36 2j5i h ALA 159 Ca 0.02 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 2j5i h ALA 159 Cb 0.30 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2j5i h ALA 159 CO 0.00 0.12 -0.31 -0.44 0.00 0.00 0.00 179.25 178.62 2j5i h ASP 160 N 0.90 0.00 0.00 0.00 3.32 -0.88 -3.38 116.42 116.38 2j5i h ASP 160 Ca 0.52 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.54 2j5i h ASP 160 Cb 0.64 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.18 2j5i h ASP 160 CO -0.30 0.31 -1.12 0.35 -1.72 0.00 0.00 179.24 176.76 2j5i n THR 161 N -3.67 0.12 -4.79 0.35 -2.24 -0.69 -5.06 114.28 98.31 2j5i n THR 161 Ca -0.01 -0.08 -0.30 0.00 -2.27 0.00 0.00 64.05 61.40 2j5i n THR 161 Cb 0.42 -0.90 -0.14 0.00 -2.10 0.00 0.00 70.33 67.61 2j5i n THR 161 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2j5i s VAL 162 N -2.05 2.20 0.84 2.28 1.01 0.52 -4.14 120.40 121.06 2j5i s VAL 162 Ca -0.01 -1.46 -0.13 0.00 0.00 0.00 0.00 61.98 60.38 2j5i s VAL 162 Cb 0.01 -1.89 0.07 0.00 0.00 0.00 0.00 36.38 34.57 2j5i s VAL 162 CO 0.07 0.31 0.98 0.61 0.00 0.00 0.00 175.10 177.07 2j5i n GLY 163 N 1.58 -0.58 0.26 4.51 0.00 -1.26 -4.55 105.19 105.15 2j5i n GLY 163 Ca -0.17 -0.55 -0.07 0.00 0.00 0.00 0.00 46.02 45.22 2j5i n GLY 163 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2j5i h HIS 164 N -1.11 -0.57 -0.17 1.61 2.76 -1.94 0.68 115.15 116.40 2j5i h HIS 164 Ca -0.45 0.04 -0.03 0.00 -2.20 0.00 0.00 60.37 57.73 2j5i h HIS 164 Cb 1.30 0.30 -0.01 0.00 1.55 0.00 0.00 27.41 30.55 2j5i h HIS 164 CO 0.44 -0.30 -0.02 0.00 -1.30 0.00 0.00 177.93 176.75 2j5i h ARG 165 N -0.19 0.32 -0.74 5.26 2.47 -2.00 -1.73 114.38 117.78 2j5i h ARG 165 Ca 0.16 -0.11 -0.03 0.00 -1.26 0.00 0.00 59.98 58.74 2j5i h ARG 165 Cb 0.44 -0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 28.70 2j5i h ARG 165 CO -0.43 0.57 0.36 1.96 0.56 0.00 0.00 179.97 182.99 2j5i h GLN 166 N 0.05 1.07 -0.16 0.04 4.20 -1.89 -0.57 115.11 117.85 2j5i h GLN 166 Ca 0.05 -0.16 0.01 0.00 0.06 0.00 0.00 58.65 58.60 2j5i h GLN 166 Cb 0.44 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 2j5i h GLN 166 CO 0.01 0.84 0.09 0.77 -0.67 0.00 0.00 178.83 179.87 2j5i h SER 167 N 1.04 0.14 -0.47 1.46 0.02 -0.76 -2.19 113.55 112.80 2j5i h SER 167 Ca 0.26 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.14 2j5i h SER 167 Cb 0.12 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 2j5i h SER 167 CO -0.03 0.11 0.05 -0.07 -1.14 0.00 0.00 176.83 175.74 2j5i h LEU 168 N 0.19 0.82 -0.34 5.07 3.38 -1.03 -0.83 115.31 122.56 2j5i h LEU 168 Ca 0.06 -0.19 0.03 0.00 0.09 0.00 0.00 57.88 57.88 2j5i h LEU 168 Cb 0.00 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 2j5i h LEU 168 CO -0.03 0.86 0.13 0.22 0.09 0.00 0.00 178.44 179.71 2j5i h TYR 169 N 0.81 0.24 -0.03 1.13 5.03 -0.85 0.75 116.97 124.05 2j5i h TYR 169 Ca 0.16 0.02 -0.19 0.00 2.58 0.00 0.00 58.73 61.29 2j5i h TYR 169 Cb 0.42 -0.06 -0.01 0.00 1.55 0.00 0.00 36.73 38.63 2j5i h TYR 169 CO 0.02 0.11 -0.81 1.88 -1.32 0.00 0.00 178.16 178.04 2j5i h TYR 170 N 0.29 0.47 -0.51 -3.82 0.05 -1.15 -0.92 116.97 111.38 2j5i h TYR 170 Ca 0.15 -0.23 -0.12 0.00 0.05 0.00 0.00 58.73 58.58 2j5i h TYR 170 Cb 0.10 -0.06 -0.02 0.00 1.01 0.00 0.00 36.73 37.77 2j5i h TYR 170 CO -0.13 1.01 -0.15 0.82 -1.05 0.00 0.00 178.16 178.66 2j5i h ILE 171 N 0.21 1.27 0.24 -2.88 2.04 -1.05 -1.45 117.51 115.88 2j5i h ILE 171 Ca -0.04 -1.31 -0.33 0.00 1.00 0.00 0.00 64.86 64.18 2j5i h ILE 171 Cb 1.41 1.03 0.04 0.00 -0.74 0.00 0.00 36.82 38.56 2j5i h ILE 171 CO 0.13 0.46 -1.47 0.24 0.00 0.00 0.00 178.15 177.51 2j5i h MET 172 N 0.88 0.51 0.00 2.37 2.86 -0.74 -3.35 114.93 117.46 2j5i h MET 172 Ca 0.13 -0.88 -0.22 0.00 -2.06 0.00 0.00 59.70 56.67 2j5i h MET 172 Cb 0.72 0.33 -0.04 0.00 0.06 0.00 0.00 31.60 32.67 2j5i h MET 172 CO 0.06 1.42 -1.26 1.79 1.06 0.00 0.00 176.91 179.98 2j5i h THR 173 N 0.10 1.11 -0.10 2.22 1.35 -1.27 -3.48 112.91 112.84 2j5i h THR 173 Ca -0.26 -2.80 -0.04 0.00 -0.55 0.00 0.00 66.41 62.76 2j5i h THR 173 Cb 2.13 2.52 -0.02 0.00 -1.73 0.00 0.00 68.15 71.05 2j5i h THR 173 CO 0.26 0.63 -0.04 0.61 -0.25 0.00 0.00 175.52 176.73 2j5i n GLY 174 N 1.42 0.51 3.76 5.82 0.00 -0.55 -4.87 105.19 111.28 2j5i n GLY 174 Ca -0.07 -0.22 -0.38 0.00 0.00 0.00 0.00 46.02 45.35 2j5i n GLY 174 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2j5i s LYS 175 N -1.24 3.43 0.39 1.61 -0.14 -1.26 -4.39 119.74 118.15 2j5i s LYS 175 Ca 0.00 2.09 -0.06 0.00 -1.36 0.00 0.00 55.97 56.64 2j5i s LYS 175 Cb 0.00 -2.37 -0.05 0.00 -1.68 0.00 0.00 37.83 33.74 2j5i s LYS 175 CO 0.00 -0.91 0.70 0.95 -0.76 0.00 0.00 175.35 175.33 2j5i s THR 176 N -1.37 4.92 0.04 2.17 -4.23 -1.26 -4.43 115.64 111.48 2j5i s THR 176 Ca 0.67 0.21 -0.05 0.00 -1.18 0.00 0.00 61.69 61.34 2j5i s THR 176 Cb -0.37 -3.79 -0.01 0.00 1.34 0.00 0.00 72.50 69.67 2j5i s THR 176 CO 0.44 -0.59 0.09 0.72 -0.54 0.00 0.00 174.62 174.75 2j5i s PHE 177 N -2.42 0.20 0.71 3.99 -0.71 -0.36 -4.97 117.98 114.42 2j5i s PHE 177 Ca 0.47 -0.49 -0.00 0.00 -1.04 0.00 0.00 56.93 55.87 2j5i s PHE 177 Cb -0.10 -0.14 0.13 0.00 -1.21 0.00 0.00 43.02 41.69 2j5i s PHE 177 CO 0.36 -0.35 0.98 0.20 -1.34 0.00 0.00 175.22 175.07 2j5i s GLY 178 N -2.07 1.76 0.16 1.99 0.00 -1.26 -0.11 107.32 107.79 2j5i s GLY 178 Ca -0.06 -1.77 -0.15 0.00 0.00 0.00 0.00 44.72 42.75 2j5i s GLY 178 CO -0.04 -1.20 1.78 -1.33 0.00 0.00 0.00 173.10 172.30 2j5i h GLY 179 N -0.49 0.57 1.15 0.20 0.00 -1.34 -0.56 103.07 102.60 2j5i h GLY 179 Ca -0.36 -0.14 0.03 0.00 0.00 0.00 0.00 47.33 46.86 2j5i h GLY 179 CO 0.40 0.09 0.51 1.46 0.00 0.00 0.00 176.54 179.00 2j5i h GLN 180 N 0.41 0.94 -0.18 4.80 1.08 -1.84 -0.72 115.11 119.60 2j5i h GLN 180 Ca 0.18 -0.06 -0.20 0.00 -1.45 0.00 0.00 58.65 57.13 2j5i h GLN 180 Cb 0.10 -0.21 0.01 0.00 -0.05 0.00 0.00 27.48 27.33 2j5i h GLN 180 CO -0.14 0.62 -0.65 -0.22 -0.95 0.00 0.00 178.83 177.49 2j5i h LYS 181 N 0.97 0.76 -0.69 1.46 3.64 -1.81 -2.06 116.57 118.84 2j5i h LYS 181 Ca 0.30 -0.58 0.08 0.00 -1.27 0.00 0.00 60.65 59.18 2j5i h LYS 181 Cb 0.01 0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 31.87 2j5i h LYS 181 CO -0.08 1.19 0.36 0.00 -2.27 0.00 0.00 179.45 178.65 2j5i h ALA 182 N 0.57 0.93 -0.23 5.00 0.00 -0.43 -0.86 119.26 124.25 2j5i h ALA 182 Ca -0.03 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2j5i h ALA 182 Cb 1.28 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 2j5i h ALA 182 CO 0.14 -0.01 0.01 0.00 0.00 0.00 0.00 179.25 179.39 2j5i h ALA 183 N 1.39 0.31 -0.86 0.00 0.00 -1.13 -1.87 119.26 117.09 2j5i h ALA 183 Ca 0.32 -0.20 0.10 0.00 0.00 0.00 0.00 54.91 55.13 2j5i h ALA 183 Cb 0.28 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 17.91 2j5i h ALA 183 CO -0.23 0.02 0.50 1.49 0.00 0.00 0.00 179.25 181.03 2j5i h GLU 184 N 0.18 0.79 -0.00 0.00 4.22 -1.00 -2.28 114.58 116.49 2j5i h GLU 184 Ca 0.07 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.46 2j5i h GLU 184 Cb 0.38 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2j5i h GLU 184 CO 0.01 0.53 -0.09 0.00 -2.18 0.00 0.00 179.01 177.27 2j5i n MET 185 N -4.73 0.19 -0.51 1.92 0.00 -0.36 -4.92 117.12 108.72 2j5i n MET 185 Ca 0.15 -0.04 0.00 0.00 0.00 0.00 0.00 57.70 57.81 2j5i n MET 185 Cb 0.30 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 32.03 2j5i n MET 185 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2j5i n GLY 186 N 1.42 0.75 0.25 3.17 0.00 -0.86 -4.17 105.19 105.75 2j5i n GLY 186 Ca 0.09 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.12 2j5i n GLY 186 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2j5i h LEU 187 N 0.00 0.31 -9.13 0.99 5.85 -1.50 -3.43 115.31 108.40 2j5i h LEU 187 Ca 0.00 -0.07 -0.44 0.00 0.84 0.00 0.00 57.88 58.21 2j5i h LEU 187 Cb 0.00 -0.08 -0.14 0.00 0.37 0.00 0.00 40.66 40.81 2j5i h LEU 187 CO 0.00 0.47 -0.62 0.68 -0.34 0.00 0.00 178.44 178.63 2j5i s VAL 188 N -4.74 1.10 0.03 1.05 -7.23 -1.22 -4.90 120.40 104.49 2j5i s VAL 188 Ca -0.06 -2.01 -0.16 0.00 -1.81 0.00 0.00 61.98 57.94 2j5i s VAL 188 Cb 0.15 -2.69 -0.33 0.00 0.56 0.00 0.00 36.38 34.07 2j5i s VAL 188 CO 0.75 -0.06 1.03 0.78 -0.31 0.00 0.00 175.10 177.29 2j5i h ASN 189 N 2.21 0.83 -4.50 4.85 4.21 -1.18 -3.41 115.58 118.59 2j5i h ASN 189 Ca -0.40 -0.88 -0.09 0.00 1.21 0.00 0.00 56.30 56.14 2j5i h ASN 189 Cb 1.24 -0.27 -0.21 0.00 -1.12 0.00 0.00 38.32 37.97 2j5i h ASN 189 CO 0.67 1.64 -0.06 -0.70 -1.29 0.00 0.00 177.43 177.70 2j5i s GLU 190 N -2.74 0.76 -0.09 0.81 2.12 -1.20 -4.97 118.70 113.39 2j5i s GLU 190 Ca -0.10 0.37 0.05 0.00 0.36 0.00 0.00 54.97 55.65 2j5i s GLU 190 Cb 0.04 0.36 -0.00 0.00 0.26 0.00 0.00 34.13 34.78 2j5i s GLU 190 CO 0.93 -0.17 -0.24 0.45 -0.54 0.00 0.00 175.26 175.69 2j5i s SER 191 N -0.54 3.11 0.11 -1.70 0.15 -1.26 -1.44 113.70 112.13 2j5i s SER 191 Ca -0.07 -0.54 0.01 0.00 0.70 0.00 0.00 55.95 56.06 2j5i s SER 191 Cb -0.03 -1.22 -0.04 0.00 -1.71 0.00 0.00 66.02 63.02 2j5i s SER 191 CO 0.04 0.19 -0.02 0.68 1.20 0.00 0.00 173.24 175.33 2j5i s VAL 192 N 0.16 0.48 0.54 4.45 -7.23 -0.51 -4.82 120.40 113.48 2j5i s VAL 192 Ca -0.13 -1.92 -0.21 0.00 -1.81 0.00 0.00 61.98 57.91 2j5i s VAL 192 Cb -0.16 -1.82 -0.06 0.00 0.56 0.00 0.00 36.38 34.89 2j5i s VAL 192 CO 0.07 -0.73 1.11 -2.65 -0.31 0.00 0.00 175.10 172.60 2j5i n PRO 193 N -0.07 1.27 -0.34 4.82 -0.02 -1.26 -0.53 135.00 138.87 2j5i n PRO 193 Ca -0.10 0.47 0.20 0.00 -2.02 0.00 0.00 63.50 62.05 2j5i n PRO 193 Cb 0.62 -2.29 0.43 0.00 -0.02 0.00 0.00 33.50 32.24 2j5i n PRO 193 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2j5i h LEU 194 N 1.04 0.59 -1.77 2.45 5.85 -1.91 0.19 115.31 121.75 2j5i h LEU 194 Ca -0.48 0.12 0.16 0.00 0.84 0.00 0.00 57.88 58.52 2j5i h LEU 194 Cb 1.34 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 42.36 2j5i h LEU 194 CO 0.54 0.09 0.47 0.00 -0.34 0.00 0.00 178.44 179.20 2j5i h ALA 195 N 1.70 2.33 -0.09 1.25 0.00 -2.02 -1.85 119.26 120.57 2j5i h ALA 195 Ca 0.64 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.54 2j5i h ALA 195 Cb 1.35 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2j5i h ALA 195 CO -0.42 -0.52 0.00 1.04 0.00 0.00 0.00 179.25 179.35 2j5i n GLN 196 N -4.42 2.06 -0.03 0.00 3.00 0.03 -4.69 117.38 113.32 2j5i n GLN 196 Ca 0.13 -1.86 -0.11 0.00 -0.01 0.00 0.00 57.00 55.15 2j5i n GLN 196 Cb 0.60 -1.42 -0.05 0.00 0.00 0.00 0.00 30.24 29.37 2j5i n GLN 196 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 2j5i h LEU 197 N 4.18 0.19 -0.37 1.08 5.85 -1.04 -1.13 115.31 124.06 2j5i h LEU 197 Ca 0.00 -0.13 -0.07 0.00 0.84 0.00 0.00 57.88 58.51 2j5i h LEU 197 Cb 0.90 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 2j5i h LEU 197 CO 0.00 0.27 -0.05 -0.09 -0.34 0.00 0.00 178.44 178.23 2j5i h ARG 198 N 0.09 0.69 -0.19 1.25 2.43 -1.84 -1.72 114.38 115.09 2j5i h ARG 198 Ca 0.05 -0.25 0.06 0.00 -0.81 0.00 0.00 59.98 59.03 2j5i h ARG 198 Cb 0.13 -0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 29.57 2j5i h ARG 198 CO -0.01 0.82 -0.28 1.49 -1.51 0.00 0.00 179.97 180.49 2j5i h GLU 199 N 0.50 -0.30 -0.70 0.20 4.81 -1.81 -0.28 114.58 116.99 2j5i h GLU 199 Ca 0.10 0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.29 2j5i h GLU 199 Cb 0.54 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.96 2j5i h GLU 199 CO 0.03 -0.20 0.21 0.28 -0.73 0.00 0.00 179.01 178.60 2j5i h VAL 200 N -0.31 1.26 -0.31 0.32 2.07 -1.09 -1.09 116.25 117.09 2j5i h VAL 200 Ca 0.12 -0.90 -0.02 0.00 0.82 0.00 0.00 66.70 66.72 2j5i h VAL 200 Cb 0.50 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 2j5i h VAL 200 CO -0.37 0.35 0.09 0.74 0.02 0.00 0.00 177.57 178.40 2j5i h THR 201 N 1.04 1.20 -0.36 2.57 2.02 -1.08 -1.93 112.91 116.38 2j5i h THR 201 Ca 0.23 -0.66 -0.13 0.00 0.77 0.00 0.00 66.41 66.61 2j5i h THR 201 Cb 0.31 1.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.76 2j5i h THR 201 CO -0.01 0.22 -0.32 0.40 0.37 0.00 0.00 175.52 176.19 2j5i h ILE 202 N 0.34 1.28 -0.85 3.11 2.04 -0.92 0.41 117.51 122.91 2j5i h ILE 202 Ca 0.10 -1.47 -0.02 0.00 1.00 0.00 0.00 64.86 64.47 2j5i h ILE 202 Cb 0.25 1.34 -0.04 0.00 -0.74 0.00 0.00 36.82 37.63 2j5i h ILE 202 CO -0.00 0.49 0.45 -0.33 0.00 0.00 0.00 178.15 178.75 2j5i h GLU 203 N 0.66 1.20 -0.20 2.37 5.08 -1.03 -0.06 114.58 122.60 2j5i h GLU 203 Ca 0.07 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 2j5i h GLU 203 Cb 0.86 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 2j5i h GLU 203 CO 0.08 0.90 -0.00 1.25 -1.00 0.00 0.00 179.01 180.23 2j5i h LEU 204 N 1.20 0.35 -0.97 1.33 5.85 -1.19 -2.39 115.31 119.50 2j5i h LEU 204 Ca 0.30 -0.31 0.03 0.00 0.84 0.00 0.00 57.88 58.74 2j5i h LEU 204 Cb 0.06 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 40.94 2j5i h LEU 204 CO -0.04 0.58 0.64 0.00 -0.34 0.00 0.00 178.44 179.27 2j5i h ALA 205 N 0.79 1.27 -0.38 1.25 0.00 -0.49 -1.64 119.26 120.05 2j5i h ALA 205 Ca 0.06 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 2j5i h ALA 205 Cb 0.40 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2j5i h ALA 205 CO 0.01 0.55 -0.19 0.00 0.00 0.00 0.00 179.25 179.63 2j5i h ARG 206 N 1.26 0.73 -0.39 0.00 2.47 -0.95 -0.45 114.38 117.04 2j5i h ARG 206 Ca 0.38 -0.27 -0.00 0.00 -1.26 0.00 0.00 59.98 58.82 2j5i h ARG 206 Cb -0.04 -0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.21 2j5i h ARG 206 CO -0.11 0.87 0.23 -0.97 0.56 0.00 0.00 179.97 180.55 2j5i h ASN 207 N 0.64 0.48 -0.05 7.04 -1.24 -0.92 -2.50 115.58 119.03 2j5i h ASN 207 Ca 0.10 -0.06 -0.05 0.00 0.71 0.00 0.00 56.30 57.00 2j5i h ASN 207 Cb 0.67 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 39.59 2j5i h ASN 207 CO 0.05 0.40 -0.09 -0.07 -1.29 0.00 0.00 177.43 176.43 2j5i h LEU 208 N 0.52 0.30 -1.39 0.34 3.38 -0.95 -1.99 115.31 115.51 2j5i h LEU 208 Ca 0.14 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2j5i h LEU 208 Cb 0.01 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.69 2j5i h LEU 208 CO -0.03 0.43 0.00 -0.07 0.09 0.00 0.00 178.44 178.86 2j5i h LEU 209 N 0.30 0.00 -0.48 1.67 3.38 -0.65 -2.24 115.31 117.28 2j5i h LEU 209 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2j5i h LEU 209 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2j5i h LEU 209 CO 0.02 0.00 0.00 -0.33 0.09 0.00 0.00 178.44 178.22 2j5i h GLU 210 N 0.00 0.00 -6.86 1.13 5.08 -1.09 -3.46 114.58 109.39 2j5i h GLU 210 Ca 0.00 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.86 2j5i h GLU 210 Cb 0.23 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.49 2j5i h GLU 210 CO 0.00 0.00 0.11 0.15 -1.00 0.00 0.00 179.01 178.27 2j5i s LYS 211 N -3.31 3.70 0.02 2.33 -0.14 -0.85 -5.01 119.74 116.48 2j5i s LYS 211 Ca 0.06 0.37 -0.30 0.00 -1.36 0.00 0.00 55.97 54.74 2j5i s LYS 211 Cb 0.09 -2.40 -0.07 0.00 -1.68 0.00 0.00 37.83 33.77 2j5i s LYS 211 CO 0.57 -0.08 1.67 1.21 -0.76 0.00 0.00 175.35 177.95 2j5i s ASN 212 N -3.45 6.62 0.38 2.83 3.84 -1.26 -4.90 114.94 119.00 2j5i s ASN 212 Ca 0.50 2.40 0.06 0.00 0.21 0.00 0.00 52.86 56.03 2j5i s ASN 212 Cb -0.10 -2.55 0.77 0.00 -0.55 0.00 0.00 41.25 38.82 2j5i s ASN 212 CO 0.36 -0.91 2.01 -0.65 -2.79 0.00 0.00 177.10 175.12 2j5i h PRO 213 N 8.90 0.68 -0.24 0.43 0.11 -1.94 -0.52 132.00 139.42 2j5i h PRO 213 Ca -0.42 -0.04 -0.20 0.00 0.11 0.00 0.00 66.00 65.45 2j5i h PRO 213 Cb 1.20 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2j5i h PRO 213 CO 0.94 0.45 -0.63 0.28 -0.21 0.00 0.00 178.00 178.82 2j5i h VAL 214 N 0.70 1.27 -0.37 3.15 2.07 -1.92 -1.08 116.25 120.08 2j5i h VAL 214 Ca 0.23 -1.82 -0.03 0.00 0.82 0.00 0.00 66.70 65.91 2j5i h VAL 214 Cb 0.07 1.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 2j5i h VAL 214 CO -0.06 0.59 0.12 0.58 0.02 0.00 0.00 177.57 178.81 2j5i h VAL 215 N 0.62 1.21 -0.56 2.57 2.07 -1.80 -1.57 116.25 118.79 2j5i h VAL 215 Ca -0.01 -0.69 -0.10 0.00 0.82 0.00 0.00 66.70 66.72 2j5i h VAL 215 Cb 1.25 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.96 2j5i h VAL 215 CO 0.14 0.24 -0.04 0.25 0.02 0.00 0.00 177.57 178.18 2j5i h LEU 216 N 0.45 0.97 -0.17 2.57 5.85 -1.00 -1.26 115.31 122.72 2j5i h LEU 216 Ca 0.12 -0.28 0.04 0.00 0.84 0.00 0.00 57.88 58.59 2j5i h LEU 216 Cb 0.25 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 2j5i h LEU 216 CO -0.00 1.05 -0.06 -0.09 -0.34 0.00 0.00 178.44 178.99 2j5i h ARG 217 N 0.90 -0.03 -0.99 1.25 2.43 -1.12 -0.90 114.38 115.91 2j5i h ARG 217 Ca 0.16 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.35 2j5i h ARG 217 Cb 0.58 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.08 2j5i h ARG 217 CO 0.03 -0.02 0.65 0.00 -1.51 0.00 0.00 179.97 179.13 2j5i h ALA 218 N 1.13 1.28 -0.14 2.80 0.00 -0.94 -1.61 119.26 121.77 2j5i h ALA 218 Ca 0.09 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2j5i h ALA 218 Cb 0.17 -0.39 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 2j5i h ALA 218 CO -0.19 0.61 -0.01 0.00 0.00 0.00 0.00 179.25 179.66 2j5i h ALA 219 N 1.38 0.19 -0.02 0.00 0.00 -0.92 -1.29 119.26 118.59 2j5i h ALA 219 Ca 0.37 -0.20 -0.24 0.00 0.00 0.00 0.00 54.91 54.84 2j5i h ALA 219 Cb -0.10 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.65 2j5i h ALA 219 CO -0.09 -0.09 -0.96 1.57 0.00 0.00 0.00 179.25 179.68 2j5i h LYS 220 N -0.02 0.60 -0.44 0.00 2.10 -1.09 -1.47 116.57 116.25 2j5i h LYS 220 Ca 0.04 -0.61 -0.07 0.00 -2.00 0.00 0.00 60.65 58.01 2j5i h LYS 220 Cb 0.40 0.16 -0.02 0.00 -0.90 0.00 0.00 32.23 31.88 2j5i h LYS 220 CO 0.01 1.22 -0.02 0.45 -2.00 0.00 0.00 179.45 179.11 2j5i h HIS 221 N 0.35 0.86 -0.70 0.07 3.86 -1.36 -2.40 115.15 115.82 2j5i h HIS 221 Ca -0.10 -0.16 0.00 0.00 -1.16 0.00 0.00 60.37 58.96 2j5i h HIS 221 Cb 1.59 -0.22 -0.03 0.00 1.06 0.00 0.00 27.41 29.81 2j5i h HIS 221 CO 0.08 0.85 0.46 0.78 0.86 0.00 0.00 177.93 180.96 2j5i h GLY 222 N 0.62 1.00 0.93 2.45 0.00 -1.16 -0.70 103.07 106.22 2j5i h GLY 222 Ca 0.12 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 47.06 2j5i h GLY 222 CO 0.03 0.38 0.13 -2.75 0.00 0.00 0.00 176.54 174.32 2j5i h PHE 223 N 0.96 0.36 -0.60 5.60 3.04 -1.16 -0.41 116.94 124.74 2j5i h PHE 223 Ca 0.26 -0.02 -0.03 0.00 3.98 0.00 0.00 57.97 62.16 2j5i h PHE 223 Cb -0.09 -0.11 -0.03 0.00 2.56 0.00 0.00 35.95 38.28 2j5i h PHE 223 CO -0.02 0.33 0.27 0.87 -2.02 0.00 0.00 178.31 177.74 2j5i h LYS 224 N 0.28 0.87 -0.59 1.11 1.57 -0.99 -2.80 116.57 116.02 2j5i h LYS 224 Ca 0.09 -0.14 -0.10 0.00 -1.87 0.00 0.00 60.65 58.63 2j5i h LYS 224 Cb 0.10 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 2j5i h LYS 224 CO -0.01 0.72 -0.01 -0.09 -0.57 0.00 0.00 179.45 179.49 2j5i h ARG 225 N 0.82 1.06 0.00 3.15 2.43 -1.10 -3.26 114.38 117.47 2j5i h ARG 225 Ca 0.20 -0.34 -0.02 0.00 -0.81 0.00 0.00 59.98 59.01 2j5i h ARG 225 Cb 0.15 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.61 2j5i h ARG 225 CO -0.02 1.04 -0.09 0.00 -1.51 0.00 0.00 179.97 179.39 2j5i h ARG 227 N 0.00 0.00 0.00 0.00 3.08 -1.58 -1.91 114.38 113.97 2j5i h ARG 227 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2j5i h ARG 227 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.27 2j5i h ARG 227 CO 0.01 0.00 -0.66 0.39 -1.07 0.00 0.00 179.97 178.64 2j5i n GLU 228 N -3.97 0.17 -4.21 0.04 1.02 -0.24 -4.95 120.64 108.49 2j5i n GLU 228 Ca 0.03 0.03 -0.28 0.00 -0.02 0.00 0.00 57.16 56.92 2j5i n GLU 228 Cb 0.36 -1.59 -0.08 0.00 -0.02 0.00 0.00 31.44 30.11 2j5i n GLU 228 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2j5i s LEU 229 N -3.64 3.22 0.29 -4.62 1.02 -0.72 -5.13 118.68 109.09 2j5i s LEU 229 Ca 0.08 -0.40 -0.07 0.00 0.02 0.00 0.00 54.13 53.75 2j5i s LEU 229 Cb 0.15 -1.91 -0.06 0.00 0.02 0.00 0.00 46.19 44.39 2j5i s LEU 229 CO 0.73 0.12 0.58 -0.89 0.02 0.00 0.00 176.35 176.91 2j5i s THR 230 N -1.57 4.96 0.31 5.49 2.01 -1.26 -4.80 115.64 120.78 2j5i s THR 230 Ca 0.26 0.27 0.08 0.00 0.31 0.00 0.00 61.69 62.60 2j5i s THR 230 Cb -0.10 -3.70 0.31 0.00 0.01 0.00 0.00 72.50 69.03 2j5i s THR 230 CO 0.17 -0.27 1.68 -0.50 -0.69 0.00 0.00 174.62 175.00 2j5i h TRP 231 N 1.88 0.73 -0.51 4.92 4.06 -1.98 0.81 115.95 125.86 2j5i h TRP 231 Ca -0.47 0.04 -0.08 0.00 2.06 0.00 0.00 58.89 60.44 2j5i h TRP 231 Cb 1.18 -0.17 -0.02 0.00 -1.00 0.00 0.00 29.16 29.15 2j5i h TRP 231 CO 0.59 -0.11 -0.02 0.93 -3.56 0.00 0.00 178.44 176.27 2j5i h GLU 232 N 0.36 0.86 -0.70 0.49 3.07 -2.01 -1.55 114.58 115.10 2j5i h GLU 232 Ca 0.63 -0.25 -0.07 0.00 -0.50 0.00 0.00 59.36 59.17 2j5i h GLU 232 Cb 1.31 -0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 29.10 2j5i h GLU 232 CO -0.58 0.87 0.15 1.96 -1.40 0.00 0.00 179.01 180.02 2j5i h GLN 233 N 0.80 1.13 0.00 2.33 4.20 0.22 -2.83 115.11 120.96 2j5i h GLN 233 Ca 0.15 -0.28 -0.04 0.00 0.06 0.00 0.00 58.65 58.54 2j5i h GLN 233 Cb 0.50 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 2j5i h GLN 233 CO 0.03 1.01 -0.18 -0.91 -0.67 0.00 0.00 178.83 178.11 2j5i h ASN 234 N 1.07 0.00 -0.40 1.46 2.35 -0.72 -0.94 115.58 118.40 2j5i h ASN 234 Ca 0.22 0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.98 2j5i h ASN 234 Cb 0.40 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.74 2j5i h ASN 234 CO 0.01 0.18 0.23 -0.08 -1.65 0.00 0.00 177.43 176.12 2j5i h GLU 235 N 0.00 0.46 0.63 0.81 4.81 -1.04 0.28 114.58 120.54 2j5i h GLU 235 Ca -0.00 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.17 2j5i h GLU 235 Cb 0.52 -0.10 0.01 0.00 0.63 0.00 0.00 28.75 29.80 2j5i h GLU 235 CO 0.02 0.31 -0.30 0.22 -0.73 0.00 0.00 179.01 178.53 2j5i h ASP 236 N 0.47 -0.71 -0.16 1.04 1.82 -1.53 -2.93 116.42 114.41 2j5i h ASP 236 Ca 0.16 0.02 0.04 0.00 -0.39 0.00 0.00 57.03 56.86 2j5i h ASP 236 Cb 0.00 0.18 -0.04 0.00 0.68 0.00 0.00 39.33 40.16 2j5i h ASP 236 CO -0.07 -0.36 -0.07 0.22 -1.61 0.00 0.00 179.24 177.35 2j5i h TYR 237 N -1.15 -0.15 -0.18 0.28 5.03 -1.06 -1.28 116.97 118.46 2j5i h TYR 237 Ca -0.09 0.02 -0.13 0.00 2.58 0.00 0.00 58.73 61.11 2j5i h TYR 237 Cb 0.65 0.09 -0.01 0.00 1.55 0.00 0.00 36.73 39.01 2j5i h TYR 237 CO 0.01 -0.11 -0.44 -0.07 -1.32 0.00 0.00 178.16 176.24 2j5i h LEU 238 N -0.04 0.47 -0.95 2.82 3.38 -0.56 -0.38 115.31 120.05 2j5i h LEU 238 Ca 0.09 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 57.74 2j5i h LEU 238 Cb 0.17 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2j5i h LEU 238 CO -0.19 0.85 -0.36 1.88 0.09 0.00 0.00 178.44 180.70 2j5i h TYR 239 N 0.36 0.37 -0.68 1.13 0.99 -1.37 -1.40 116.97 116.36 2j5i h TYR 239 Ca 0.03 -0.09 -0.02 0.00 2.00 0.00 0.00 58.73 60.65 2j5i h TYR 239 Cb 0.92 -0.08 -0.03 0.00 1.00 0.00 0.00 36.73 38.53 2j5i h TYR 239 CO 0.03 0.64 0.35 0.00 -0.00 0.00 0.00 178.16 179.18 2j5i h ALA 240 N 1.35 0.88 -0.62 3.88 0.00 -0.40 -0.78 119.26 123.57 2j5i h ALA 240 Ca 0.03 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 2j5i h ALA 240 Cb 0.77 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 2j5i h ALA 240 CO 0.06 0.42 0.10 0.87 0.00 0.00 0.00 179.25 180.70 2j5i h LYS 241 N 0.94 1.01 0.04 0.00 1.79 -0.85 0.38 116.57 119.88 2j5i h LYS 241 Ca 0.24 -0.26 -0.00 0.00 -2.18 0.00 0.00 60.65 58.45 2j5i h LYS 241 Cb 0.08 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 30.61 2j5i h LYS 241 CO -0.03 0.93 -0.02 1.25 -1.08 0.00 0.00 179.45 180.50 2j5i h LEU 242 N 0.95 -0.04 -0.68 2.94 7.12 -1.02 -1.07 115.31 123.52 2j5i h LEU 242 Ca 0.19 -0.09 -0.06 0.00 0.13 0.00 0.00 57.88 58.05 2j5i h LEU 242 Cb 0.41 0.01 -0.03 0.00 -0.53 0.00 0.00 40.66 40.52 2j5i h LEU 242 CO 0.01 0.07 0.21 0.44 -0.13 0.00 0.00 178.44 179.04 2j5i h ASP 243 N -0.15 0.99 -0.88 1.25 3.32 -1.03 -1.96 116.42 117.95 2j5i h ASP 243 Ca -0.01 -0.21 0.06 0.00 0.02 0.00 0.00 57.03 56.89 2j5i h ASP 243 Cb 0.13 -0.26 -0.06 0.00 0.22 0.00 0.00 39.33 39.36 2j5i h ASP 243 CO 0.01 0.94 0.55 -0.61 -1.72 0.00 0.00 179.24 178.41 2j5i h GLN 244 N 0.99 0.99 -0.48 3.56 4.15 -0.84 -1.36 115.11 122.12 2j5i h GLN 244 Ca 0.22 -0.06 0.01 0.00 0.77 0.00 0.00 58.65 59.59 2j5i h GLN 244 Cb 0.30 -0.22 -0.03 0.00 0.21 0.00 0.00 27.48 27.75 2j5i h GLN 244 CO -0.01 0.65 0.31 1.03 -1.93 0.00 0.00 178.83 178.89 2j5i h SER 245 N 1.02 0.53 0.51 -0.69 0.87 -0.84 -1.72 113.55 113.23 2j5i h SER 245 Ca 0.38 -0.01 -0.06 0.00 -1.23 0.00 0.00 61.79 60.87 2j5i h SER 245 Cb 0.15 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 61.97 2j5i h SER 245 CO -0.17 0.38 -0.30 -0.09 -0.53 0.00 0.00 176.83 176.13 2j5i h ARG 246 N 0.63 0.00 -0.01 2.24 2.43 -0.76 -2.64 114.38 116.27 2j5i h ARG 246 Ca 0.18 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.34 2j5i h ARG 246 Cb -0.06 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 2j5i h ARG 246 CO -0.05 0.30 -0.03 1.25 -1.51 0.00 0.00 179.97 179.93 2j5i h LEU 247 N 0.00 0.04 -0.41 3.80 5.85 -1.03 -3.51 115.31 120.05 2j5i h LEU 247 Ca -0.00 -0.63 0.00 0.00 0.84 0.00 0.00 57.88 58.08 2j5i h LEU 247 Cb 0.63 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.65 2j5i h LEU 247 CO 0.04 0.67 0.00 0.18 -0.34 0.00 0.00 178.44 178.99