#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j5i s GLU 5 N 0.00 4.12 -2.12 -0.72 2.12 -1.26 -1.98 118.70 118.87 2j5i s GLU 5 Ca 0.00 2.60 0.00 0.00 0.36 0.00 0.00 54.97 57.93 2j5i s GLU 5 Cb 0.00 -3.07 0.00 0.00 0.26 0.00 0.00 34.13 31.32 2j5i s GLU 5 CO 0.00 -0.74 0.00 0.41 -0.54 0.00 0.00 175.26 174.39 2j5i n GLY 6 N 3.77 1.73 0.18 -1.50 0.00 -1.26 -4.89 105.19 103.23 2j5i n GLY 6 Ca 0.15 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.07 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 0.00 0.45 -6.68 1.61 2.43 -1.74 -3.45 114.38 107.01 2j5i h ARG 7 Ca -0.42 -0.36 -0.67 0.00 -0.81 0.00 0.00 59.98 57.73 2j5i h ARG 7 Cb 1.32 0.07 -0.24 0.00 -0.42 0.00 0.00 29.97 30.70 2j5i h ARG 7 CO 0.60 0.99 -0.87 -1.58 -1.51 0.00 0.00 179.97 177.61 2j5i s TRP 8 N -3.68 2.21 0.09 2.20 0.51 -1.26 -5.06 118.94 113.95 2j5i s TRP 8 Ca -0.06 -0.40 -0.17 0.00 -2.12 0.00 0.00 56.10 53.36 2j5i s TRP 8 Cb 0.10 -1.26 -0.08 0.00 -0.81 0.00 0.00 33.47 31.43 2j5i s TRP 8 CO 0.84 0.22 1.47 -0.22 -0.51 0.00 0.00 176.95 178.75 2j5i h LYS 9 N 4.35 0.58 -0.01 4.98 3.64 -1.98 -3.37 116.57 124.75 2j5i h LYS 9 Ca -0.48 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 58.66 2j5i h LYS 9 Cb 1.16 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 2j5i h LYS 9 CO 0.41 0.80 -0.05 0.25 -2.27 0.00 0.00 179.45 178.59 2j5i n THR 10 N -4.46 0.00 -4.02 1.00 -2.24 -1.26 -4.95 114.28 98.35 2j5i n THR 10 Ca -0.03 -0.47 -0.11 0.00 -2.27 0.00 0.00 64.05 61.16 2j5i n THR 10 Cb 0.34 1.18 -0.11 0.00 -2.10 0.00 0.00 70.33 69.64 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 -0.94 0.33 0.14 2.28 1.01 -1.26 0.28 120.40 122.24 2j5i s VAL 11 Ca 0.10 -0.94 0.08 0.00 0.00 0.00 0.00 61.98 61.23 2j5i s VAL 11 Cb 0.08 -0.43 -0.04 0.00 0.00 0.00 0.00 36.38 35.99 2j5i s VAL 11 CO 0.15 -0.40 -0.19 -0.54 0.00 0.00 0.00 175.10 174.12 2j5i s LYS 12 N -1.42 1.21 -0.05 2.72 1.02 -0.44 -4.29 119.74 118.48 2j5i s LYS 12 Ca -0.12 -1.32 0.00 0.00 0.02 0.00 0.00 55.97 54.56 2j5i s LYS 12 Cb -0.09 -1.32 0.02 0.00 -0.52 0.00 0.00 37.83 35.92 2j5i s LYS 12 CO -0.00 0.28 -0.03 0.08 -0.92 0.00 0.00 175.35 174.76 2j5i s VAL 13 N -1.76 0.51 -0.16 3.17 1.01 -1.26 -0.95 120.40 120.96 2j5i s VAL 13 Ca 0.12 -0.06 -0.02 0.00 0.00 0.00 0.00 61.98 62.02 2j5i s VAL 13 Cb -0.07 -0.58 0.05 0.00 0.00 0.00 0.00 36.38 35.78 2j5i s VAL 13 CO 0.06 0.24 0.01 -1.61 0.00 0.00 0.00 175.10 173.80 2j5i s GLU 14 N 1.24 0.76 -0.12 2.72 2.02 -0.46 -4.72 118.70 120.15 2j5i s GLU 14 Ca -0.06 -0.31 -0.14 0.00 0.02 0.00 0.00 54.97 54.48 2j5i s GLU 14 Cb -0.14 -1.82 -0.05 0.00 0.10 0.00 0.00 34.13 32.23 2j5i s GLU 14 CO -0.02 -0.53 0.34 0.42 0.02 0.00 0.00 175.26 175.49 2j5i s ILE 15 N 1.85 5.25 -0.18 -1.63 1.01 -1.26 -0.84 121.20 125.40 2j5i s ILE 15 Ca 0.01 0.65 -0.02 0.00 0.00 0.00 0.00 60.65 61.29 2j5i s ILE 15 Cb -0.16 -3.66 0.05 0.00 0.01 0.00 0.00 42.46 38.70 2j5i s ILE 15 CO -0.07 0.43 -0.00 -1.83 0.00 0.00 0.00 174.94 173.47 2j5i s GLU 16 N 0.09 0.98 -1.25 2.79 -1.05 0.07 -4.91 118.70 115.42 2j5i s GLU 16 Ca 0.19 -0.47 -0.14 0.00 -0.15 0.00 0.00 54.97 54.40 2j5i s GLU 16 Cb -0.14 -2.04 0.00 0.00 -0.44 0.00 0.00 34.13 31.51 2j5i s GLU 16 CO 0.07 -0.55 0.63 -0.25 0.95 0.00 0.00 175.26 176.11 2j5i n ASP 17 N 4.96 -3.22 0.00 0.83 8.00 -1.26 -1.38 116.55 124.47 2j5i n ASP 17 Ca -0.10 -1.04 0.00 0.00 0.71 0.00 0.00 54.79 54.36 2j5i n ASP 17 Cb 0.47 -3.07 0.00 0.00 -0.02 0.00 0.00 41.12 38.50 2j5i n ASP 17 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2j5i n GLY 18 N -1.85 2.80 3.51 0.44 0.00 -1.25 -5.01 105.19 103.83 2j5i n GLY 18 Ca -0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.04 5.11 -0.61 -0.61 1.01 -0.48 -0.46 121.20 123.12 2j5i s ILE 19 Ca 0.00 -0.18 -0.22 0.00 0.00 0.00 0.00 60.65 60.26 2j5i s ILE 19 Cb 0.00 -3.96 0.07 0.00 0.01 0.00 0.00 42.46 38.58 2j5i s ILE 19 CO 0.00 -0.30 0.87 0.00 0.00 0.00 0.00 174.94 175.51 2j5i s ALA 20 N 2.11 3.21 -0.19 9.38 0.00 0.46 -0.75 121.76 135.98 2j5i s ALA 20 Ca 0.12 -1.80 -0.29 0.00 0.00 0.00 0.00 51.96 50.00 2j5i s ALA 20 Cb -0.17 -3.71 -0.01 0.00 0.00 0.00 0.00 23.12 19.23 2j5i s ALA 20 CO 0.13 -2.53 1.25 -0.06 0.00 0.00 0.00 175.76 174.55 2j5i s PHE 21 N 3.61 2.87 -0.27 0.00 0.40 -0.02 -1.25 117.98 123.31 2j5i s PHE 21 Ca 0.21 1.03 -0.07 0.00 -0.60 0.00 0.00 56.93 57.49 2j5i s PHE 21 Cb -0.18 -3.54 -0.01 0.00 0.51 0.00 0.00 43.02 39.80 2j5i s PHE 21 CO 0.11 -1.59 0.07 0.08 0.70 0.00 0.00 175.22 174.59 2j5i s VAL 22 N 3.61 4.08 -0.27 -0.44 1.01 0.79 -1.35 120.40 127.83 2j5i s VAL 22 Ca 0.54 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 62.08 2j5i s VAL 22 Cb -0.20 -3.00 0.06 0.00 0.00 0.00 0.00 36.38 33.23 2j5i s VAL 22 CO 0.15 0.21 -0.07 -0.63 0.00 0.00 0.00 175.10 174.76 2j5i s ILE 23 N 1.55 2.46 0.21 2.22 1.01 -0.13 -0.53 121.20 127.99 2j5i s ILE 23 Ca 0.05 -1.54 -0.30 0.00 0.00 0.00 0.00 60.65 58.85 2j5i s ILE 23 Cb -0.16 -2.43 -0.09 0.00 0.01 0.00 0.00 42.46 39.78 2j5i s ILE 23 CO 0.03 -0.05 1.38 -0.76 0.00 0.00 0.00 174.94 175.53 2j5i s LEU 24 N 1.16 4.40 -0.43 2.97 1.43 -0.08 -1.33 118.68 126.80 2j5i s LEU 24 Ca -0.08 2.51 0.10 0.00 -1.03 0.00 0.00 54.13 55.63 2j5i s LEU 24 Cb -0.20 -3.61 0.32 0.00 0.03 0.00 0.00 46.19 42.73 2j5i s LEU 24 CO -0.04 -0.62 0.73 -3.20 0.23 0.00 0.00 176.35 173.46 2j5i n ASN 25 N 2.66 1.57 -3.08 2.29 4.05 0.14 -0.22 115.26 122.68 2j5i n ASN 25 Ca 0.07 -3.10 -0.23 0.00 0.45 0.00 0.00 54.58 51.76 2j5i n ASN 25 Cb 0.42 -0.62 -0.04 0.00 1.23 0.00 0.00 39.78 40.77 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 0.44 2.23 0.26 1.20 1.74 -1.26 -4.56 116.66 116.70 2j5i n ARG 26 Ca 0.26 -4.22 0.08 0.00 -0.77 0.00 0.00 57.85 53.19 2j5i n ARG 26 Cb 0.57 -1.99 0.63 0.00 -1.02 0.00 0.00 32.46 30.65 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 3.11 0.01 -0.39 5.56 0.13 -1.87 0.83 132.00 139.38 2j5i h PRO 27 Ca 0.12 -0.00 0.05 0.00 -0.87 0.00 0.00 66.00 65.30 2j5i h PRO 27 Cb 0.70 -0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.81 2j5i h PRO 27 CO 0.68 0.01 0.26 0.93 -0.23 0.00 0.00 178.00 179.66 2j5i h GLU 28 N 0.01 0.32 -0.58 0.86 3.07 -1.94 -1.44 114.58 114.89 2j5i h GLU 28 Ca 0.00 -0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 58.80 2j5i h GLU 28 Cb 0.01 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 27.83 2j5i h GLU 28 CO 0.00 0.21 0.05 1.63 -1.40 0.00 0.00 179.01 179.50 2j5i n LYS 29 N -4.48 4.53 -3.90 2.33 4.01 0.08 -4.92 118.16 115.80 2j5i n LYS 29 Ca 0.05 -3.13 -0.31 0.00 -0.51 0.00 0.00 58.31 54.40 2j5i n LYS 29 Cb 0.22 -2.23 -0.00 0.00 -0.51 0.00 0.00 35.03 32.51 2j5i n LYS 29 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 2j5i n ARG 30 N 0.37 -4.01 -3.10 1.97 5.12 -0.54 -1.85 116.66 114.62 2j5i n ARG 30 Ca 0.30 0.47 -0.22 0.00 -1.93 0.00 0.00 57.85 56.47 2j5i n ARG 30 Cb 1.21 -5.26 0.02 0.00 -1.16 0.00 0.00 32.46 27.27 2j5i n ARG 30 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2j5i n ASN 31 N -2.62 -5.21 -4.74 0.55 3.02 -0.01 -1.03 115.26 105.22 2j5i n ASN 31 Ca 0.05 -0.30 -0.42 0.00 -0.03 0.00 0.00 54.58 53.88 2j5i n ASN 31 Cb 0.51 -4.25 -0.01 0.00 -0.61 0.00 0.00 39.78 35.43 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 -3.46 1.96 -2.77 5.41 0.00 -0.77 -4.44 120.51 116.43 2j5i n ALA 32 Ca -0.08 0.36 -0.43 0.00 0.00 0.00 0.00 53.44 53.28 2j5i n ALA 32 Cb 0.59 -2.36 -0.04 0.00 0.00 0.00 0.00 19.45 17.64 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 -1.67 3.19 0.60 0.00 1.00 0.64 -4.65 119.30 118.42 2j5i s MET 33 Ca 0.57 -0.62 -0.05 0.00 0.00 0.00 0.00 55.69 55.58 2j5i s MET 33 Cb -0.52 -4.15 0.02 0.00 0.00 0.00 0.00 34.83 30.17 2j5i s MET 33 CO 0.60 -1.66 0.91 -1.54 0.00 0.00 0.00 175.02 173.33 2j5i s SER 34 N 3.30 5.44 0.38 3.03 1.04 -1.26 -1.21 113.70 124.43 2j5i s SER 34 Ca 0.25 0.61 0.10 0.00 0.48 0.00 0.00 55.95 57.39 2j5i s SER 34 Cb -0.15 -1.55 0.87 0.00 0.10 0.00 0.00 66.02 65.29 2j5i s SER 34 CO 0.14 -1.15 1.93 -0.65 0.98 0.00 0.00 173.24 174.48 2j5i h PRO 35 N -0.22 0.60 0.11 4.02 0.11 -1.93 -0.75 132.00 133.95 2j5i h PRO 35 Ca -0.45 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 2j5i h PRO 35 Cb 1.27 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2j5i h PRO 35 CO 0.60 0.39 -0.05 1.15 -0.21 0.00 0.00 178.00 179.88 2j5i h THR 36 N 0.61 0.98 -0.78 -1.15 2.02 -2.00 -2.49 112.91 110.10 2j5i h THR 36 Ca 0.36 -0.34 0.06 0.00 0.77 0.00 0.00 66.41 67.27 2j5i h THR 36 Cb 0.57 1.19 -0.06 0.00 -1.74 0.00 0.00 68.15 68.11 2j5i h THR 36 CO -0.13 0.08 0.46 0.25 0.37 0.00 0.00 175.52 176.55 2j5i h LEU 37 N -0.31 0.71 -0.09 2.58 6.46 -1.78 -1.01 115.31 121.87 2j5i h LEU 37 Ca -0.02 0.02 0.04 0.00 -0.12 0.00 0.00 57.88 57.81 2j5i h LEU 37 Cb 0.25 -0.12 -0.05 0.00 -0.73 0.00 0.00 40.66 40.01 2j5i h LEU 37 CO 0.03 0.45 -0.19 0.78 -0.62 0.00 0.00 178.44 178.88 2j5i h ASN 38 N 0.84 -0.59 -0.93 1.25 2.35 -1.04 0.18 115.58 117.64 2j5i h ASN 38 Ca 0.35 0.10 0.02 0.00 -0.55 0.00 0.00 56.30 56.21 2j5i h ASN 38 Cb 0.20 0.26 -0.05 0.00 0.05 0.00 0.00 38.32 38.78 2j5i h ASN 38 CO -0.18 -0.25 0.62 0.03 -1.65 0.00 0.00 177.43 175.99 2j5i h ARG 39 N -0.27 1.21 -0.32 0.81 3.08 -1.05 -1.91 114.38 115.92 2j5i h ARG 39 Ca 0.08 -0.07 -0.10 0.00 0.07 0.00 0.00 59.98 59.96 2j5i h ARG 39 Cb 0.39 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 2j5i h ARG 39 CO -0.24 0.80 -0.22 0.93 -1.07 0.00 0.00 179.97 180.17 2j5i h GLU 40 N 1.24 0.61 -0.16 0.04 5.08 -0.74 -2.62 114.58 118.03 2j5i h GLU 40 Ca 0.35 -0.23 -0.13 0.00 -1.00 0.00 0.00 59.36 58.35 2j5i h GLU 40 Cb -0.10 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 2j5i h GLU 40 CO -0.09 0.78 -0.46 0.52 -1.00 0.00 0.00 179.01 178.77 2j5i h MET 41 N 0.54 0.41 -0.10 2.33 2.86 -0.30 0.70 114.93 121.37 2j5i h MET 41 Ca 0.08 -0.22 0.03 0.00 -2.06 0.00 0.00 59.70 57.53 2j5i h MET 41 Cb 0.67 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.31 2j5i h MET 41 CO 0.05 0.78 -0.06 0.82 1.06 0.00 0.00 176.91 179.56 2j5i h ILE 42 N 0.33 0.81 -0.65 -1.22 2.04 -1.19 -0.66 117.51 116.97 2j5i h ILE 42 Ca 0.02 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.90 2j5i h ILE 42 Cb 0.93 0.81 -0.04 0.00 -0.74 0.00 0.00 36.82 37.79 2j5i h ILE 42 CO 0.08 0.00 0.42 -0.78 0.00 0.00 0.00 178.15 177.87 2j5i h ASP 43 N -0.06 0.71 0.05 1.72 3.58 -1.09 -0.26 116.42 121.07 2j5i h ASP 43 Ca 0.06 -0.01 0.01 0.00 0.42 0.00 0.00 57.03 57.51 2j5i h ASP 43 Cb 0.15 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.02 2j5i h ASP 43 CO -0.14 0.50 -0.09 0.58 -2.88 0.00 0.00 179.24 177.22 2j5i h VAL 44 N 0.84 0.79 -0.63 2.25 2.07 -0.62 0.39 116.25 121.35 2j5i h VAL 44 Ca 0.25 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.73 2j5i h VAL 44 Cb -0.04 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 2j5i h VAL 44 CO -0.08 0.00 0.25 -0.07 0.02 0.00 0.00 177.57 177.69 2j5i h LEU 45 N -0.17 0.87 -0.64 2.57 3.38 -0.79 0.10 115.31 120.62 2j5i h LEU 45 Ca 0.02 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.74 2j5i h LEU 45 Cb 0.19 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 2j5i h LEU 45 CO -0.05 0.81 0.12 -0.33 0.09 0.00 0.00 178.44 179.08 2j5i h GLU 46 N 0.88 1.04 0.15 1.13 5.08 -0.86 -1.77 114.58 120.23 2j5i h GLU 46 Ca 0.21 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2j5i h GLU 46 Cb 0.21 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.34 2j5i h GLU 46 CO -0.02 0.96 -0.07 1.15 -1.00 0.00 0.00 179.01 180.03 2j5i h THR 47 N 0.96 0.95 0.00 1.13 2.02 -0.65 -3.05 112.91 114.26 2j5i h THR 47 Ca 0.20 -0.43 -0.03 0.00 0.77 0.00 0.00 66.41 66.92 2j5i h THR 47 Cb 0.41 1.21 -0.00 0.00 -1.74 0.00 0.00 68.15 68.02 2j5i h THR 47 CO 0.01 0.10 -0.17 -0.07 0.37 0.00 0.00 175.52 175.76 2j5i h LEU 48 N -0.41 0.00 -1.39 2.58 3.38 -0.99 -2.23 115.31 116.25 2j5i h LEU 48 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2j5i h LEU 48 Cb 0.32 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 2j5i h LEU 48 CO 0.03 0.17 0.40 -0.08 0.09 0.00 0.00 178.44 179.05 2j5i h GLU 49 N 0.00 0.81 -0.13 1.13 4.81 -1.20 -2.81 114.58 117.19 2j5i h GLU 49 Ca -0.00 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2j5i h GLU 49 Cb 0.33 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.53 2j5i h GLU 49 CO 0.02 0.54 0.00 1.04 -0.73 0.00 0.00 179.01 179.88 2j5i n GLN 50 N -4.44 2.30 -3.05 1.92 1.13 -0.87 -4.84 117.38 109.53 2j5i n GLN 50 Ca 0.06 -1.91 -0.43 0.00 -1.94 0.00 0.00 57.00 52.79 2j5i n GLN 50 Cb 0.05 -1.47 -0.06 0.00 0.11 0.00 0.00 30.24 28.86 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 -1.85 6.36 0.32 1.08 3.68 -1.02 -4.94 116.67 120.29 2j5i s ASP 51 Ca 0.32 -0.26 0.24 0.00 2.13 0.00 0.00 52.55 54.99 2j5i s ASP 51 Cb 0.21 -2.35 1.14 0.00 -1.45 0.00 0.00 42.92 40.47 2j5i s ASP 51 CO 0.31 -0.84 1.74 1.55 0.13 0.00 0.00 175.17 178.05 2j5i h PRO 52 N 8.93 0.00 0.00 4.34 0.13 -1.88 -1.75 132.00 141.77 2j5i h PRO 52 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 2j5i h PRO 52 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2j5i h PRO 52 CO 0.92 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.69 2j5i n ALA 53 N -1.81 2.16 -2.73 -0.56 0.00 -1.26 -4.59 120.51 111.73 2j5i n ALA 53 Ca 0.00 -0.06 -0.40 0.00 0.00 0.00 0.00 53.44 52.98 2j5i n ALA 53 Cb 0.15 -1.43 -0.11 0.00 0.00 0.00 0.00 19.45 18.06 2j5i n ALA 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2j5i s ALA 54 N -3.05 3.35 -0.09 0.00 0.00 -0.66 -3.84 121.76 117.46 2j5i s ALA 54 Ca 0.11 -1.56 0.13 0.00 0.00 0.00 0.00 51.96 50.64 2j5i s ALA 54 Cb 0.15 -2.59 -0.19 0.00 0.00 0.00 0.00 23.12 20.49 2j5i s ALA 54 CO 0.50 -1.18 0.15 0.41 0.00 0.00 0.00 175.76 175.64 2j5i n GLY 55 N 5.04 -0.67 2.93 0.00 0.00 0.40 -4.89 105.19 107.99 2j5i n GLY 55 Ca -0.12 -0.27 -0.11 0.00 0.00 0.00 0.00 46.02 45.52 2j5i n GLY 55 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2j5i s VAL 56 N -2.59 0.08 -0.10 1.61 -7.23 -0.96 -4.27 120.40 106.93 2j5i s VAL 56 Ca -0.06 -0.47 -0.01 0.00 -1.81 0.00 0.00 61.98 59.63 2j5i s VAL 56 Cb 0.06 -0.15 -0.03 0.00 0.56 0.00 0.00 36.38 36.82 2j5i s VAL 56 CO 0.58 -0.25 -0.05 -0.76 -0.31 0.00 0.00 175.10 174.31 2j5i s LEU 57 N -0.74 3.23 -0.22 1.32 1.02 -0.54 -0.40 118.68 122.35 2j5i s LEU 57 Ca -0.08 -0.05 0.02 0.00 0.02 0.00 0.00 54.13 54.04 2j5i s LEU 57 Cb -0.05 -1.74 0.04 0.00 0.02 0.00 0.00 46.19 44.46 2j5i s LEU 57 CO -0.00 0.29 -0.15 -0.69 0.02 0.00 0.00 176.35 175.82 2j5i s VAL 58 N -0.36 2.04 -0.22 -1.59 1.01 -0.38 -0.92 120.40 119.97 2j5i s VAL 58 Ca 0.06 -1.25 -0.17 0.00 0.00 0.00 0.00 61.98 60.62 2j5i s VAL 58 Cb -0.12 -2.01 -0.03 0.00 0.00 0.00 0.00 36.38 34.21 2j5i s VAL 58 CO 0.02 0.24 0.46 -0.22 0.00 0.00 0.00 175.10 175.60 2j5i s LEU 59 N 1.23 4.13 0.28 3.92 2.96 0.34 -0.15 118.68 131.39 2j5i s LEU 59 Ca -0.02 0.56 -0.05 0.00 -0.22 0.00 0.00 54.13 54.40 2j5i s LEU 59 Cb -0.17 -2.61 -0.01 0.00 0.50 0.00 0.00 46.19 43.91 2j5i s LEU 59 CO -0.09 -0.16 0.39 0.28 -1.32 0.00 0.00 176.35 175.45 2j5i s THR 60 N 1.66 0.00 0.13 3.68 -1.32 0.31 -0.76 115.64 119.34 2j5i s THR 60 Ca 0.21 -1.64 0.11 0.00 -1.21 0.00 0.00 61.69 59.15 2j5i s THR 60 Cb -0.15 -2.45 -0.04 0.00 -1.51 0.00 0.00 72.50 68.34 2j5i s THR 60 CO 0.09 0.00 -0.25 -0.83 -2.21 0.00 0.00 174.62 171.42 2j5i s GLY 61 N -3.15 1.61 0.43 6.08 0.00 -1.26 -0.90 107.32 110.12 2j5i s GLY 61 Ca 0.30 -1.46 -0.22 0.00 0.00 0.00 0.00 44.72 43.35 2j5i s GLY 61 CO 0.15 -1.44 1.00 0.00 0.00 0.00 0.00 173.10 172.81 2j5i s ALA 62 N -1.10 3.02 0.00 3.20 0.00 0.69 -4.83 121.76 122.74 2j5i s ALA 62 Ca 0.15 0.55 0.00 0.00 0.00 0.00 0.00 51.96 52.66 2j5i s ALA 62 Cb -0.10 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.81 2j5i s ALA 62 CO 0.07 -0.08 0.00 0.41 0.00 0.00 0.00 175.76 176.16 2j5i n GLY 63 N -0.16 0.25 0.15 0.00 0.00 -1.26 -4.02 105.19 100.15 2j5i n GLY 63 Ca 0.07 -0.93 0.04 0.00 0.00 0.00 0.00 46.02 45.20 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 -6.23 1.61 5.08 -1.89 -3.47 114.58 109.68 2j5i h GLU 64 Ca 0.00 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.85 2j5i h GLU 64 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2j5i h GLU 64 CO 0.00 0.44 -0.36 0.00 -1.00 0.00 0.00 179.01 178.10 2j5i s ALA 65 N -3.03 3.86 0.00 3.43 0.00 -1.26 -3.74 121.76 121.02 2j5i s ALA 65 Ca 0.04 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 51.02 2j5i s ALA 65 Cb 0.08 -1.91 0.00 0.00 0.00 0.00 0.00 23.12 21.28 2j5i s ALA 65 CO 0.73 0.33 0.00 1.87 0.00 0.00 0.00 175.76 178.69 2j5i n TRP 66 N -1.00 0.00 -3.72 0.00 -0.00 0.13 -4.19 117.44 108.66 2j5i n TRP 66 Ca -0.06 0.00 -0.12 0.00 -0.00 0.00 0.00 57.50 57.32 2j5i n TRP 66 Cb 0.55 -0.19 -0.11 0.00 -0.00 0.00 0.00 31.31 31.56 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 -0.51 -0.02 -1.72 5.87 -1.32 -0.54 -4.30 115.64 113.09 2j5i s THR 67 Ca 0.00 0.08 0.19 0.00 -1.21 0.00 0.00 61.69 60.75 2j5i s THR 67 Cb 0.00 -0.53 0.45 0.00 -1.51 0.00 0.00 72.50 70.91 2j5i s THR 67 CO 0.00 0.03 1.57 0.00 -2.21 0.00 0.00 174.62 174.01 2j5i n ALA 68 N 3.83 2.12 0.00 11.08 0.00 -0.20 -1.43 120.51 135.92 2j5i n ALA 68 Ca -0.21 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.13 2j5i n ALA 68 Cb 0.55 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.69 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 0.27 -0.37 3.77 0.00 0.00 -1.20 -4.38 105.19 103.28 2j5i n GLY 69 Ca 0.12 -2.11 -0.39 0.00 0.00 0.00 0.00 46.02 43.64 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 4.00 -1.12 1.61 -1.94 -1.26 -0.26 119.30 120.33 2j5i s MET 70 Ca 0.00 1.97 -0.21 0.00 -1.71 0.00 0.00 55.69 55.73 2j5i s MET 70 Cb 0.00 -2.70 0.06 0.00 2.01 0.00 0.00 34.83 34.20 2j5i s MET 70 CO 0.00 -0.40 1.56 0.34 -0.01 0.00 0.00 175.02 176.51 2j5i s ASP 71 N -0.98 6.60 0.25 3.03 -1.08 -0.35 -4.58 116.67 119.57 2j5i s ASP 71 Ca 0.57 -1.81 0.01 0.00 -0.52 0.00 0.00 52.55 50.80 2j5i s ASP 71 Cb -0.34 -2.57 0.31 0.00 -1.46 0.00 0.00 42.92 38.86 2j5i s ASP 71 CO 0.43 -1.41 1.65 -0.07 0.52 0.00 0.00 175.17 176.29 2j5i h LEU 72 N 12.80 0.51 -0.15 -1.34 -0.00 -1.91 -0.73 115.31 124.49 2j5i h LEU 72 Ca 0.29 -0.20 0.03 0.00 -0.00 0.00 0.00 57.88 57.99 2j5i h LEU 72 Cb 0.96 -0.14 -0.03 0.00 -0.00 0.00 0.00 40.66 41.45 2j5i h LEU 72 CO 1.44 0.82 -0.02 0.50 -0.00 0.00 0.00 178.44 181.18 2j5i h LYS 73 N 0.41 0.03 -0.44 1.13 1.63 -1.99 0.15 116.57 117.48 2j5i h LYS 73 Ca 0.04 -0.00 -0.14 0.00 -0.85 0.00 0.00 60.65 59.70 2j5i h LYS 73 Cb 0.81 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.43 2j5i h LYS 73 CO 0.07 0.02 -0.28 1.49 -3.45 0.00 0.00 179.45 177.30 2j5i h GLU 74 N 0.03 0.96 -0.25 1.90 4.57 -1.94 -1.52 114.58 118.33 2j5i h GLU 74 Ca 0.07 -0.44 0.01 0.00 -1.18 0.00 0.00 59.36 57.82 2j5i h GLU 74 Cb 0.10 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.65 2j5i h GLU 74 CO -0.14 1.10 0.15 -0.92 -1.18 0.00 0.00 179.01 178.02 2j5i h TYR 75 N 0.81 0.27 -0.55 0.92 5.03 -0.83 -2.23 116.97 120.38 2j5i h TYR 75 Ca 0.09 0.01 -0.07 0.00 2.58 0.00 0.00 58.73 61.34 2j5i h TYR 75 Cb 0.86 -0.09 -0.02 0.00 1.55 0.00 0.00 36.73 39.03 2j5i h TYR 75 CO 0.05 0.16 0.05 0.74 -1.32 0.00 0.00 178.16 177.84 2j5i h PHE 76 N 0.30 0.97 -0.29 -3.82 0.05 -0.61 -1.05 116.94 112.49 2j5i h PHE 76 Ca 0.10 -0.13 0.05 0.00 3.82 0.00 0.00 57.97 61.81 2j5i h PHE 76 Cb -0.01 -0.27 -0.05 0.00 2.00 0.00 0.00 35.95 37.63 2j5i h PHE 76 CO -0.08 0.85 -0.03 -0.09 -0.18 0.00 0.00 178.31 178.79 2j5i h ARG 77 N 0.85 0.05 -0.15 1.51 2.43 -1.01 -0.18 114.38 117.88 2j5i h ARG 77 Ca 0.17 -0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 59.16 2j5i h ARG 77 Cb 0.44 -0.01 0.01 0.00 -0.42 0.00 0.00 29.97 29.99 2j5i h ARG 77 CO 0.02 0.03 -0.61 0.93 -1.51 0.00 0.00 179.97 178.83 2j5i h GLU 78 N 0.05 0.68 -0.52 0.20 5.08 -1.15 -1.93 114.58 117.00 2j5i h GLU 78 Ca 0.14 -0.53 -0.08 0.00 -1.00 0.00 0.00 59.36 57.88 2j5i h GLU 78 Cb 0.20 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 2j5i h GLU 78 CO -0.26 1.15 -0.01 0.28 -1.00 0.00 0.00 179.01 179.17 2j5i h VAL 79 N 0.37 1.25 -0.35 3.13 2.07 -1.09 0.18 116.25 121.81 2j5i h VAL 79 Ca -0.03 -1.08 -0.13 0.00 0.82 0.00 0.00 66.70 66.28 2j5i h VAL 79 Cb 1.24 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.87 2j5i h VAL 79 CO 0.13 0.38 -0.30 0.44 0.02 0.00 0.00 177.57 178.24 2j5i h ASP 80 N 0.82 0.79 0.81 0.57 3.32 -0.96 -3.27 116.42 118.50 2j5i h ASP 80 Ca 0.15 -0.31 -0.23 0.00 0.02 0.00 0.00 57.03 56.66 2j5i h ASP 80 Cb 0.51 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.80 2j5i h ASP 80 CO 0.03 1.03 -1.29 0.00 -1.72 0.00 0.00 179.24 177.29 2j5i h ALA 81 N 1.02 0.59 -4.52 3.45 0.00 -1.10 -3.48 119.26 115.22 2j5i h ALA 81 Ca 0.08 -1.08 -0.45 0.00 0.00 0.00 0.00 54.91 53.46 2j5i h ALA 81 Cb 0.82 0.17 0.14 0.00 0.00 0.00 0.00 17.79 18.92 2j5i h ALA 81 CO 0.07 1.29 0.30 0.41 0.00 0.00 0.00 179.25 181.32 2j5i n GLY 82 N 1.43 -0.68 3.75 0.00 0.00 0.60 -5.06 105.19 105.23 2j5i n GLY 82 Ca -0.08 -1.83 -0.31 0.00 0.00 0.00 0.00 46.02 43.80 2j5i n GLY 82 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2j5i s PRO 83 N -5.61 2.00 0.25 1.61 0.04 -1.26 -4.91 135.00 127.12 2j5i s PRO 83 Ca 0.72 1.09 -0.04 0.00 0.04 0.00 0.00 61.00 62.82 2j5i s PRO 83 Cb -0.03 -1.87 0.50 0.00 0.04 0.00 0.00 34.50 33.14 2j5i s PRO 83 CO 0.50 -1.80 1.69 1.49 0.04 0.00 0.00 177.00 178.91 2j5i h GLU 84 N -1.24 0.28 0.00 4.56 4.22 -1.97 -0.81 114.58 119.62 2j5i h GLU 84 Ca -0.45 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 58.97 2j5i h GLU 84 Cb 1.24 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2j5i h GLU 84 CO 0.52 0.18 0.00 1.51 -2.18 0.00 0.00 179.01 179.04 2j5i n ILE 85 N -5.15 0.92 0.22 2.32 3.06 -1.26 -2.43 119.36 117.04 2j5i n ILE 85 Ca 0.15 0.24 0.05 0.00 -2.50 0.00 0.00 62.75 60.69 2j5i n ILE 85 Cb 0.49 -1.08 0.48 0.00 0.54 0.00 0.00 39.64 40.06 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 0.00 -1.03 9.51 5.85 -1.49 -2.42 115.31 125.74 2j5i h LEU 86 Ca 0.00 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 2j5i h LEU 86 Cb 0.30 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 2j5i h LEU 86 CO 0.00 0.21 0.19 -0.61 -0.34 0.00 0.00 178.44 177.89 2j5i h GLN 87 N 0.00 0.89 -0.51 1.25 4.15 -1.64 -0.72 115.11 118.53 2j5i h GLN 87 Ca -0.00 -0.16 0.02 0.00 0.77 0.00 0.00 58.65 59.27 2j5i h GLN 87 Cb 0.37 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 27.88 2j5i h GLN 87 CO 0.03 0.76 0.31 0.93 -1.93 0.00 0.00 178.83 178.93 2j5i h GLU 88 N 0.86 0.61 -0.48 1.69 4.39 -1.63 -1.28 114.58 118.74 2j5i h GLU 88 Ca 0.20 -0.04 -0.04 0.00 0.34 0.00 0.00 59.36 59.82 2j5i h GLU 88 Cb 0.24 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.74 2j5i h GLU 88 CO -0.01 0.40 0.13 -0.22 -1.16 0.00 0.00 179.01 178.15 2j5i h LYS 89 N 0.62 0.75 -0.46 2.33 3.64 -1.34 -0.99 116.57 121.12 2j5i h LYS 89 Ca 0.20 -0.17 -0.09 0.00 -1.27 0.00 0.00 60.65 59.32 2j5i h LYS 89 Cb -0.01 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 2j5i h LYS 89 CO -0.08 0.73 -0.06 0.82 -2.27 0.00 0.00 179.45 178.59 2j5i h ILE 90 N 0.64 1.27 -0.46 2.00 2.04 -0.87 -0.65 117.51 121.48 2j5i h ILE 90 Ca 0.15 -1.15 -0.02 0.00 1.00 0.00 0.00 64.86 64.84 2j5i h ILE 90 Cb 0.30 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 2j5i h ILE 90 CO -0.00 0.40 0.22 0.03 0.00 0.00 0.00 178.15 178.80 2j5i h ARG 91 N 0.70 0.66 -0.67 2.37 3.08 -1.20 -1.07 114.38 118.25 2j5i h ARG 91 Ca 0.12 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 2j5i h ARG 91 Cb 0.59 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.49 2j5i h ARG 91 CO 0.04 0.56 0.39 -0.09 -1.07 0.00 0.00 179.97 179.80 2j5i h ARG 92 N 0.60 0.91 -0.44 0.04 2.43 -0.88 -1.34 114.38 115.70 2j5i h ARG 92 Ca 0.16 -0.09 -0.07 0.00 -0.81 0.00 0.00 59.98 59.17 2j5i h ARG 92 Cb 0.12 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 2j5i h ARG 92 CO -0.02 0.65 -0.03 0.93 -1.51 0.00 0.00 179.97 179.99 2j5i h GLU 93 N 0.91 0.73 0.11 0.20 5.08 -0.99 0.16 114.58 120.78 2j5i h GLU 93 Ca 0.24 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 2j5i h GLU 93 Cb -0.01 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.15 2j5i h GLU 93 CO -0.04 0.76 -0.05 0.00 -1.00 0.00 0.00 179.01 178.67 2j5i h ALA 94 N 1.29 -0.15 -0.91 3.43 0.00 -0.86 -2.98 119.26 119.08 2j5i h ALA 94 Ca 0.13 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.00 2j5i h ALA 94 Cb 0.46 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.25 2j5i h ALA 94 CO 0.02 -0.50 0.59 0.77 0.00 0.00 0.00 179.25 180.13 2j5i h SER 95 N -0.32 0.91 -0.44 0.00 0.02 -1.06 -2.16 113.55 110.50 2j5i h SER 95 Ca -0.02 0.01 0.05 0.00 -0.84 0.00 0.00 61.79 60.99 2j5i h SER 95 Cb 0.26 -0.19 -0.05 0.00 0.14 0.00 0.00 62.40 62.57 2j5i h SER 95 CO 0.03 0.58 0.18 -0.61 -1.14 0.00 0.00 176.83 175.87 2j5i h GLN 96 N 1.03 0.35 0.02 3.45 5.75 -0.53 0.96 115.11 126.15 2j5i h GLN 96 Ca 0.39 -0.02 -0.29 0.00 -0.15 0.00 0.00 58.65 58.58 2j5i h GLN 96 Cb 0.20 -0.08 -0.04 0.00 1.07 0.00 0.00 27.48 28.63 2j5i h GLN 96 CO -0.15 0.23 -1.64 0.11 -2.65 0.00 0.00 178.83 174.73 2j5i h TRP 97 N 0.36 0.09 -0.08 3.99 5.08 -1.54 0.18 115.95 124.03 2j5i h TRP 97 Ca 0.20 -0.07 -0.11 0.00 1.08 0.00 0.00 58.89 59.99 2j5i h TRP 97 Cb 0.17 -0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.31 2j5i h TRP 97 CO -0.14 1.12 -0.45 1.96 -1.28 0.00 0.00 178.44 179.66 2j5i h GLN 98 N 0.01 0.19 0.00 0.12 4.20 -1.24 -3.34 115.11 115.06 2j5i h GLN 98 Ca -0.26 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.35 2j5i h GLN 98 Cb 1.99 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.77 2j5i h GLN 98 CO 0.09 0.61 0.00 -2.67 -0.67 0.00 0.00 178.83 176.19 2j5i n TRP 99 N -4.00 0.00 -0.10 2.96 4.27 -0.86 -3.64 117.44 116.08 2j5i n TRP 99 Ca -0.02 0.00 -0.07 0.00 -3.89 0.00 0.00 57.50 53.52 2j5i n TRP 99 Cb 0.50 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.45 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 0.35 0.21 -2.67 1.57 -0.84 -0.96 116.57 114.23 2j5i h LYS 100 Ca 0.00 -0.02 -0.33 0.00 -1.87 0.00 0.00 60.65 58.43 2j5i h LYS 100 Cb 0.00 -0.08 0.02 0.00 0.08 0.00 0.00 32.23 32.26 2j5i h LYS 100 CO 0.00 0.23 -1.53 -0.07 -0.57 0.00 0.00 179.45 177.51 2j5i h LEU 101 N 0.36 0.71 0.14 2.94 3.38 -0.86 -3.41 115.31 118.57 2j5i h LEU 101 Ca 0.14 -0.84 -0.31 0.00 0.09 0.00 0.00 57.88 56.97 2j5i h LEU 101 Cb 0.05 -0.23 0.03 0.00 0.09 0.00 0.00 40.66 40.60 2j5i h LEU 101 CO -0.10 1.67 -1.29 0.25 0.09 0.00 0.00 178.44 179.07 2j5i h LEU 102 N 0.12 0.88 -0.64 1.67 5.85 -1.65 -2.98 115.31 118.58 2j5i h LEU 102 Ca -0.27 -0.83 -0.08 0.00 0.84 0.00 0.00 57.88 57.55 2j5i h LEU 102 Cb 2.12 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 42.85 2j5i h LEU 102 CO 0.23 1.63 0.10 -0.09 -0.34 0.00 0.00 178.44 179.97 2j5i h ARG 103 N 0.26 1.06 -1.17 1.25 2.43 -1.32 -2.67 114.38 114.21 2j5i h ARG 103 Ca -0.20 -0.29 -0.64 0.00 -0.81 0.00 0.00 59.98 58.04 2j5i h ARG 103 Cb 1.96 -0.12 -0.35 0.00 -0.42 0.00 0.00 29.97 31.04 2j5i h ARG 103 CO 0.25 0.98 0.13 -1.33 -1.51 0.00 0.00 179.97 178.49 2j5i n MET 104 N -4.25 3.10 -2.12 0.20 2.81 -1.25 -4.90 117.12 110.70 2j5i n MET 104 Ca 0.04 -3.79 -0.39 0.00 -1.81 0.00 0.00 57.70 51.75 2j5i n MET 104 Cb 0.29 -2.28 -0.01 0.00 -0.71 0.00 0.00 33.22 30.51 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 -3.76 2.89 0.43 2.03 6.04 -1.01 -4.92 117.35 119.06 2j5i s TYR 105 Ca 0.56 1.46 0.28 0.00 0.04 0.00 0.00 57.07 59.40 2j5i s TYR 105 Cb 0.45 -3.58 1.49 0.00 -1.04 0.00 0.00 41.96 39.28 2j5i s TYR 105 CO -0.09 -1.86 2.09 0.00 -1.54 0.00 0.00 175.55 174.15 2j5i h ALA 106 N 2.64 1.30 -2.66 3.97 0.00 -1.92 -3.43 119.26 119.16 2j5i h ALA 106 Ca -0.49 -0.10 -0.58 0.00 0.00 0.00 0.00 54.91 53.74 2j5i h ALA 106 Cb 1.24 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.93 2j5i h ALA 106 CO 0.62 0.13 -0.61 0.15 0.00 0.00 0.00 179.25 179.54 2j5i s LYS 107 N -4.23 2.60 0.52 0.00 1.02 -1.26 -4.64 119.74 113.75 2j5i s LYS 107 Ca -0.03 -1.07 -0.22 0.00 0.02 0.00 0.00 55.97 54.67 2j5i s LYS 107 Cb 0.13 -2.44 -0.06 0.00 -0.52 0.00 0.00 37.83 34.94 2j5i s LYS 107 CO 0.58 0.45 1.32 -1.25 -0.92 0.00 0.00 175.35 175.53 2j5i s PRO 108 N -3.18 3.31 0.02 -1.68 0.04 -1.26 -4.88 135.00 127.37 2j5i s PRO 108 Ca 0.30 2.15 0.03 0.00 0.04 0.00 0.00 61.00 63.51 2j5i s PRO 108 Cb -0.09 -2.32 -0.02 0.00 0.04 0.00 0.00 34.50 32.12 2j5i s PRO 108 CO 0.21 -1.03 -0.08 0.95 0.04 0.00 0.00 177.00 177.09 2j5i s THR 109 N -1.35 0.63 -0.03 1.26 -4.23 -1.26 -1.47 115.64 109.19 2j5i s THR 109 Ca 0.69 -0.74 0.01 0.00 -1.18 0.00 0.00 61.69 60.47 2j5i s THR 109 Cb -0.38 -0.61 0.02 0.00 1.34 0.00 0.00 72.50 72.87 2j5i s THR 109 CO 0.46 -0.10 -0.02 -0.63 -0.54 0.00 0.00 174.62 173.78 2j5i s ILE 110 N -0.79 0.33 -0.12 2.99 1.01 -0.10 -2.10 121.20 122.43 2j5i s ILE 110 Ca -0.03 -0.04 -0.22 0.00 0.00 0.00 0.00 60.65 60.36 2j5i s ILE 110 Cb -0.07 -0.37 -0.03 0.00 0.01 0.00 0.00 42.46 42.00 2j5i s ILE 110 CO 0.00 0.16 0.66 0.00 0.00 0.00 0.00 174.94 175.77 2j5i s ALA 111 N 0.76 3.43 -0.49 9.38 0.00 -0.08 -0.50 121.76 134.25 2j5i s ALA 111 Ca -0.09 -0.02 -0.02 0.00 0.00 0.00 0.00 51.96 51.83 2j5i s ALA 111 Cb -0.12 -2.94 0.13 0.00 0.00 0.00 0.00 23.12 20.19 2j5i s ALA 111 CO -0.01 -0.26 0.29 1.41 0.00 0.00 0.00 175.76 177.19 2j5i s MET 112 N 1.19 2.19 -0.67 0.00 1.75 0.06 -1.23 119.30 122.58 2j5i s MET 112 Ca 0.34 -2.11 -0.20 0.00 -1.25 0.00 0.00 55.69 52.47 2j5i s MET 112 Cb -0.17 -3.62 0.10 0.00 2.84 0.00 0.00 34.83 33.98 2j5i s MET 112 CO 0.14 -1.11 0.88 0.08 -0.65 0.00 0.00 175.02 174.36 2j5i s VAL 113 N 0.65 4.62 -0.71 10.11 1.01 -0.01 -4.46 120.40 131.61 2j5i s VAL 113 Ca 0.12 -0.85 0.24 0.00 0.00 0.00 0.00 61.98 61.48 2j5i s VAL 113 Cb -0.22 -4.61 0.00 0.00 0.00 0.00 0.00 36.38 31.55 2j5i s VAL 113 CO -0.04 -1.32 1.27 -0.46 0.00 0.00 0.00 175.10 174.55 2j5i n ASN 114 N 6.88 0.64 0.00 3.32 6.94 -1.26 -1.03 115.26 130.74 2j5i n ASN 114 Ca -0.02 -0.03 0.00 0.00 -0.02 0.00 0.00 54.58 54.51 2j5i n ASN 114 Cb 0.45 0.33 0.00 0.00 -2.36 0.00 0.00 39.78 38.20 2j5i n ASN 114 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2j5i n GLY 115 N 1.38 1.81 1.97 4.83 0.00 -1.26 -4.68 105.19 109.24 2j5i n GLY 115 Ca 0.03 -0.42 -0.35 0.00 0.00 0.00 0.00 46.02 45.29 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 0.69 -3.60 1.61 7.02 -1.25 -3.50 117.44 118.42 2j5i n TRP 116 Ca 0.00 0.60 -0.28 0.00 -1.02 0.00 0.00 57.50 56.80 2j5i n TRP 116 Cb 0.00 -1.17 -0.16 0.00 -2.42 0.00 0.00 31.31 27.56 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 2.02 1.77 0.00 0.00 0.40 -0.51 -2.57 117.98 119.08 2j5i s PHE 118 Ca 0.07 -0.43 0.00 0.00 -0.60 0.00 0.00 56.93 55.97 2j5i s PHE 118 Cb -0.16 -0.95 0.00 0.00 0.51 0.00 0.00 43.02 42.42 2j5i s PHE 118 CO -0.27 0.22 0.00 0.41 0.70 0.00 0.00 175.22 176.28 2j5i n GLY 119 N 0.94 3.56 0.31 4.36 0.00 -0.58 -1.72 105.19 112.08 2j5i n GLY 119 Ca -0.18 0.18 0.18 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.89 -0.14 103.07 103.02 2j5i h GLY 120 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2j5i h GLY 120 CO 0.00 0.00 -0.04 -1.33 0.00 0.00 0.00 176.54 175.17 2j5i h GLY 121 N 0.00 0.00 2.00 4.60 0.00 -1.62 -2.82 103.07 105.24 2j5i h GLY 121 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 2j5i h GLY 121 CO 0.00 0.00 -0.12 0.74 0.00 0.00 0.00 176.54 177.16 2j5i h PHE 122 N 0.00 0.00 0.49 5.60 -1.00 -1.22 -2.04 116.94 118.77 2j5i h PHE 122 Ca -0.00 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.76 2j5i h PHE 122 Cb 0.31 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.88 2j5i h PHE 122 CO 0.00 0.12 -0.23 0.77 -1.61 0.00 0.00 178.31 177.36 2j5i h SER 123 N 0.00 -0.55 0.17 2.17 0.02 -1.73 -1.91 113.55 111.72 2j5i h SER 123 Ca -0.00 -0.08 -0.04 0.00 -0.84 0.00 0.00 61.79 60.83 2j5i h SER 123 Cb 0.22 0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 2j5i h SER 123 CO 0.02 -0.20 -0.18 1.55 -1.14 0.00 0.00 176.83 176.88 2j5i h PRO 124 N -0.95 0.02 -0.63 3.45 0.13 -1.62 -0.56 132.00 131.84 2j5i h PRO 124 Ca -0.07 -0.00 0.11 0.00 -0.87 0.00 0.00 66.00 65.17 2j5i h PRO 124 Cb 0.60 -0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.64 2j5i h PRO 124 CO 0.11 0.19 0.21 1.25 -0.23 0.00 0.00 178.00 179.54 2j5i h LEU 125 N 0.02 0.17 0.00 1.56 5.85 -1.22 -0.69 115.31 120.99 2j5i h LEU 125 Ca 0.00 0.09 -0.20 0.00 0.84 0.00 0.00 57.88 58.62 2j5i h LEU 125 Cb 0.32 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 2j5i h LEU 125 CO 0.02 0.09 -1.44 0.58 -0.34 0.00 0.00 178.44 177.35 2j5i h VAL 126 N 0.37 0.64 -0.71 1.05 2.07 -1.02 -3.27 116.25 115.37 2j5i h VAL 126 Ca 0.33 -2.23 -0.02 0.00 0.82 0.00 0.00 66.70 65.60 2j5i h VAL 126 Cb 0.45 2.18 -0.03 0.00 -1.52 0.00 0.00 31.29 32.36 2j5i h VAL 126 CO -0.35 0.36 0.36 0.00 0.02 0.00 0.00 177.57 177.96 2j5i h ALA 127 N 1.30 1.30 -2.52 1.67 0.00 -0.83 -3.42 119.26 116.76 2j5i h ALA 127 Ca -0.19 -0.13 -0.57 0.00 0.00 0.00 0.00 54.91 54.03 2j5i h ALA 127 Cb 1.70 -0.28 0.09 0.00 0.00 0.00 0.00 17.79 19.30 2j5i h ALA 127 CO 0.06 0.55 0.63 0.00 0.00 0.00 0.00 179.25 180.49 2j5i h ASP 129 N 3.62 -0.80 -1.93 0.00 3.45 -1.67 -3.45 116.42 115.63 2j5i h ASP 129 Ca -0.46 0.06 -0.61 0.00 0.43 0.00 0.00 57.03 56.44 2j5i h ASP 129 Cb 1.27 0.26 -0.13 0.00 -0.56 0.00 0.00 39.33 40.16 2j5i h ASP 129 CO 0.71 -0.46 -0.67 -0.76 -1.57 0.00 0.00 179.24 176.49 2j5i s LEU 130 N -10.17 2.77 -0.16 1.55 1.43 -0.91 -5.04 118.68 108.16 2j5i s LEU 130 Ca -0.17 -1.17 -0.15 0.00 -1.03 0.00 0.00 54.13 51.62 2j5i s LEU 130 Cb 0.05 -1.05 0.04 0.00 0.03 0.00 0.00 46.19 45.27 2j5i s LEU 130 CO 0.63 -0.21 0.42 0.00 0.23 0.00 0.00 176.35 177.43 2j5i s ALA 131 N -2.60 -1.05 -0.02 4.21 0.00 -1.26 -0.90 121.76 120.13 2j5i s ALA 131 Ca 0.33 1.21 0.03 0.00 0.00 0.00 0.00 51.96 53.52 2j5i s ALA 131 Cb 0.02 -0.70 0.00 0.00 0.00 0.00 0.00 23.12 22.44 2j5i s ALA 131 CO 0.17 -0.20 -0.10 0.42 0.00 0.00 0.00 175.76 176.05 2j5i s ILE 132 N 0.26 0.83 0.27 0.00 -1.09 -0.37 -0.60 121.20 120.50 2j5i s ILE 132 Ca -0.00 -0.39 0.07 0.00 -2.23 0.00 0.00 60.65 58.09 2j5i s ILE 132 Cb -0.03 -0.73 -0.06 0.00 -1.58 0.00 0.00 42.46 40.07 2j5i s ILE 132 CO 0.00 0.25 -0.06 0.00 -1.23 0.00 0.00 174.94 173.90 2j5i s ALA 134 N -3.03 3.30 0.45 0.00 0.00 -0.20 -1.28 121.76 121.01 2j5i s ALA 134 Ca 0.29 0.58 0.22 0.00 0.00 0.00 0.00 51.96 53.05 2j5i s ALA 134 Cb 0.04 -3.19 1.21 0.00 0.00 0.00 0.00 23.12 21.18 2j5i s ALA 134 CO 0.11 0.20 1.84 -0.44 0.00 0.00 0.00 175.76 177.48 2j5i h ASP 135 N 3.85 0.29 0.41 0.00 3.32 -0.61 -1.80 116.42 121.88 2j5i h ASP 135 Ca -0.46 0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.63 2j5i h ASP 135 Cb 1.20 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.73 2j5i h ASP 135 CO 0.67 0.10 -0.16 -1.84 -1.72 0.00 0.00 179.24 176.29 2j5i n GLU 136 N -4.46 0.59 -1.95 3.56 0.00 -1.26 -2.91 120.64 114.21 2j5i n GLU 136 Ca 0.21 -0.23 -0.36 0.00 0.00 0.00 0.00 57.16 56.77 2j5i n GLU 136 Cb 0.83 -1.50 0.04 0.00 0.00 0.00 0.00 31.44 30.81 2j5i n GLU 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2j5i s ALA 137 N -2.57 2.56 -0.04 -1.84 0.00 -0.67 -4.87 121.76 114.32 2j5i s ALA 137 Ca 0.25 1.08 0.06 0.00 0.00 0.00 0.00 51.96 53.36 2j5i s ALA 137 Cb 0.20 -3.48 -0.01 0.00 0.00 0.00 0.00 23.12 19.82 2j5i s ALA 137 CO 0.51 -1.25 -0.22 0.99 0.00 0.00 0.00 175.76 175.78 2j5i s THR 138 N -1.52 1.81 0.18 0.00 2.01 -1.26 -2.32 115.64 114.54 2j5i s THR 138 Ca 0.77 -0.95 0.11 0.00 0.31 0.00 0.00 61.69 61.93 2j5i s THR 138 Cb -0.33 -1.53 -0.04 0.00 0.01 0.00 0.00 72.50 70.61 2j5i s THR 138 CO 0.36 0.51 -0.21 -0.36 -0.69 0.00 0.00 174.62 174.23 2j5i s PHE 139 N -0.23 2.38 -0.19 4.92 0.40 0.59 -1.26 117.98 124.58 2j5i s PHE 139 Ca 0.00 -0.33 -0.31 0.00 -0.60 0.00 0.00 56.93 55.70 2j5i s PHE 139 Cb -0.12 -1.19 0.15 0.00 0.51 0.00 0.00 43.02 42.37 2j5i s PHE 139 CO 0.02 0.48 1.13 0.20 0.70 0.00 0.00 175.22 177.75 2j5i s GLY 140 N -2.62 -0.19 -0.83 4.36 0.00 -1.06 -1.46 107.32 105.52 2j5i s GLY 140 Ca 0.21 2.09 0.02 0.00 0.00 0.00 0.00 44.72 47.03 2j5i s GLY 140 CO 0.11 0.90 1.05 1.04 0.00 0.00 0.00 173.10 176.20 2j5i n LEU 141 N 0.44 4.88 -0.11 0.66 7.99 -1.26 -1.53 117.00 128.07 2j5i n LEU 141 Ca -0.05 -5.34 0.15 0.00 -0.01 0.00 0.00 56.01 50.75 2j5i n LEU 141 Cb 0.59 -0.94 0.71 0.00 -0.11 0.00 0.00 43.42 43.67 2j5i n LEU 141 CO 0.12 1.89 0.95 -1.20 -1.51 0.00 0.00 177.39 177.64 2j5i n SER 142 N 1.11 0.40 -0.23 -1.43 7.64 -1.26 -3.83 113.62 116.02 2j5i n SER 142 Ca 0.28 -0.72 0.00 0.00 1.01 0.00 0.00 58.87 59.44 2j5i n SER 142 Cb 0.38 -0.08 0.03 0.00 -1.01 0.00 0.00 64.21 63.53 2j5i n SER 142 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2j5i n GLU 143 N -0.88 -0.12 0.09 1.43 4.71 -1.26 -1.47 120.64 123.13 2j5i n GLU 143 Ca 0.17 0.92 0.05 0.00 -0.01 0.00 0.00 57.16 58.29 2j5i n GLU 143 Cb 0.24 -1.37 0.49 0.00 -1.01 0.00 0.00 31.44 29.79 2j5i n GLU 143 CO 0.00 0.00 0.00 0.97 0.09 0.00 0.00 177.13 178.19 2j5i h ILE 144 N 0.00 1.08 0.00 -3.67 6.09 -1.60 0.44 117.51 119.84 2j5i h ILE 144 Ca 0.22 -0.20 -0.02 0.00 -1.37 0.00 0.00 64.86 63.49 2j5i h ILE 144 Cb 0.37 0.73 -0.00 0.00 0.47 0.00 0.00 36.82 38.39 2j5i h ILE 144 CO -0.60 0.09 -0.10 0.78 -3.07 0.00 0.00 178.15 175.25 2j5i h ASN 145 N 0.35 0.00 -0.63 2.19 2.35 -1.56 -2.22 115.58 116.06 2j5i h ASN 145 Ca 0.09 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 2j5i h ASN 145 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2j5i h ASN 145 CO -0.02 0.10 0.00 0.79 -1.65 0.00 0.00 177.43 176.65 2j5i n TRP 146 N -3.26 1.24 -2.11 1.19 5.03 0.09 -4.94 117.44 114.68 2j5i n TRP 146 Ca 0.00 -0.52 -0.04 0.00 3.03 0.00 0.00 57.50 59.97 2j5i n TRP 146 Cb 0.34 -0.16 -0.00 0.00 -1.03 0.00 0.00 31.31 30.46 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 1.25 0.24 3.06 6.99 0.00 -0.84 -5.05 105.19 110.83 2j5i n GLY 147 Ca 0.24 -0.72 -0.23 0.00 0.00 0.00 0.00 46.02 45.31 2j5i n GLY 147 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2j5i s ILE 148 N -2.24 1.07 0.85 -0.61 1.01 -0.84 -5.01 121.20 115.43 2j5i s ILE 148 Ca 0.01 -0.51 -0.12 0.00 0.00 0.00 0.00 60.65 60.02 2j5i s ILE 148 Cb -0.00 -0.93 0.10 0.00 0.01 0.00 0.00 42.46 41.64 2j5i s ILE 148 CO 0.01 0.32 1.15 -2.16 0.00 0.00 0.00 174.94 174.25 2j5i s PRO 149 N 0.15 1.61 0.11 2.79 0.04 -1.26 -2.62 135.00 135.82 2j5i s PRO 149 Ca -0.04 0.27 -0.33 0.00 0.04 0.00 0.00 61.00 60.94 2j5i s PRO 149 Cb -0.10 -1.89 -0.13 0.00 0.04 0.00 0.00 34.50 32.42 2j5i s PRO 149 CO 0.01 -1.87 1.69 -2.30 0.04 0.00 0.00 177.00 174.57 2j5i n PRO 150 N -3.54 2.31 -3.07 0.56 -0.02 -1.26 -4.90 135.00 125.08 2j5i n PRO 150 Ca 0.07 0.84 -0.18 0.00 -2.02 0.00 0.00 63.50 62.21 2j5i n PRO 150 Cb 0.59 -2.65 0.01 0.00 -0.02 0.00 0.00 33.50 31.44 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 1.86 1.85 0.00 -1.23 0.00 -1.26 -4.74 107.32 103.80 2j5i s GLY 151 Ca 0.82 -1.57 0.00 0.00 0.00 0.00 0.00 44.72 43.97 2j5i s GLY 151 CO 0.40 -1.40 0.00 -2.01 0.00 0.00 0.00 173.10 170.09 2j5i n ASN 152 N -1.86 0.00 -1.61 1.64 5.15 -1.26 -2.81 115.26 114.52 2j5i n ASN 152 Ca 0.06 0.00 0.09 0.00 -0.60 0.00 0.00 54.58 54.13 2j5i n ASN 152 Cb 0.59 0.00 0.36 0.00 -0.53 0.00 0.00 39.78 40.19 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 4.78 -0.28 1.20 7.99 -1.26 -4.61 117.00 124.82 2j5i n LEU 153 Ca 0.00 -2.41 -0.00 0.00 -0.01 0.00 0.00 56.01 53.58 2j5i n LEU 153 Cb 0.00 -0.59 0.12 0.00 -0.11 0.00 0.00 43.42 42.84 2j5i n LEU 153 CO 0.00 0.75 1.15 0.58 -1.51 0.00 0.00 177.39 178.37 2j5i h VAL 154 N 3.94 1.02 -0.39 4.08 2.07 -1.83 0.42 116.25 125.56 2j5i h VAL 154 Ca 0.00 -0.30 -0.10 0.00 0.82 0.00 0.00 66.70 67.13 2j5i h VAL 154 Cb 1.50 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 2j5i h VAL 154 CO 0.27 0.16 -0.15 0.28 0.02 0.00 0.00 177.57 178.15 2j5i h SER 155 N 0.86 0.71 -0.53 0.57 0.02 -1.83 -1.82 113.55 111.54 2j5i h SER 155 Ca 0.34 -0.22 -0.11 0.00 -0.84 0.00 0.00 61.79 60.96 2j5i h SER 155 Cb 0.17 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.50 2j5i h SER 155 CO -0.17 0.87 -0.11 0.50 -1.14 0.00 0.00 176.83 176.77 2j5i h LYS 156 N 0.64 1.01 -0.74 3.45 1.63 -1.72 0.18 116.57 121.02 2j5i h LYS 156 Ca 0.11 -0.38 0.07 0.00 -0.85 0.00 0.00 60.65 59.60 2j5i h LYS 156 Cb 0.61 -0.06 -0.06 0.00 -0.60 0.00 0.00 32.23 32.12 2j5i h LYS 156 CO 0.04 1.06 0.42 0.00 -3.45 0.00 0.00 179.45 177.52 2j5i h ALA 157 N 0.91 1.01 -0.25 5.00 0.00 -0.52 0.17 119.26 125.59 2j5i h ALA 157 Ca 0.14 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 2j5i h ALA 157 Cb 0.68 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2j5i h ALA 157 CO 0.05 0.09 0.03 0.52 0.00 0.00 0.00 179.25 179.94 2j5i h MET 158 N 0.75 0.41 -0.76 0.00 2.86 -1.16 -3.00 114.93 114.03 2j5i h MET 158 Ca 0.34 -0.11 0.03 0.00 -2.06 0.00 0.00 59.70 57.89 2j5i h MET 158 Cb 0.24 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.81 2j5i h MET 158 CO -0.20 0.55 0.50 0.00 1.06 0.00 0.00 176.91 178.81 2j5i h ALA 159 N 0.85 1.53 0.00 6.32 0.00 -0.33 0.24 119.26 127.87 2j5i h ALA 159 Ca 0.07 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 2j5i h ALA 159 Cb 0.34 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2j5i h ALA 159 CO 0.01 0.40 -0.39 -0.44 0.00 0.00 0.00 179.25 178.82 2j5i h ASP 160 N 0.95 0.00 0.00 0.00 3.32 -0.95 -3.38 116.42 116.36 2j5i h ASP 160 Ca 0.30 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.34 2j5i h ASP 160 Cb 0.01 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.56 2j5i h ASP 160 CO -0.08 0.39 -1.05 0.35 -1.72 0.00 0.00 179.24 177.13 2j5i n THR 161 N -3.61 0.03 -4.75 0.35 -2.24 -0.70 -5.05 114.28 98.31 2j5i n THR 161 Ca -0.01 -0.03 -0.29 0.00 -2.27 0.00 0.00 64.05 61.45 2j5i n THR 161 Cb 0.50 -0.16 -0.14 0.00 -2.10 0.00 0.00 70.33 68.43 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 2.13 0.86 2.28 1.01 0.76 -4.07 120.40 121.33 2j5i s VAL 162 Ca -0.00 -1.47 -0.12 0.00 0.00 0.00 0.00 61.98 60.39 2j5i s VAL 162 Cb 0.00 -1.84 0.11 0.00 0.00 0.00 0.00 36.38 34.66 2j5i s VAL 162 CO 0.04 0.28 1.17 -0.83 0.00 0.00 0.00 175.10 175.76 2j5i s GLY 163 N -1.45 1.91 0.13 4.51 0.00 -1.26 -4.55 107.32 106.61 2j5i s GLY 163 Ca 0.12 0.70 -0.25 0.00 0.00 0.00 0.00 44.72 45.29 2j5i s GLY 163 CO 0.03 1.11 1.63 0.84 0.00 0.00 0.00 173.10 176.71 2j5i h HIS 164 N -1.39 -0.73 0.05 1.90 2.76 -1.94 0.02 115.15 115.82 2j5i h HIS 164 Ca -0.45 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 57.75 2j5i h HIS 164 Cb 1.28 0.33 0.00 0.00 1.55 0.00 0.00 27.41 30.57 2j5i h HIS 164 CO 0.49 -0.35 -0.03 0.00 -1.30 0.00 0.00 177.93 176.74 2j5i h ARG 165 N -0.36 -0.07 -0.93 5.26 2.47 -1.99 -1.67 114.38 117.09 2j5i h ARG 165 Ca 0.09 0.00 0.07 0.00 -1.26 0.00 0.00 59.98 58.88 2j5i h ARG 165 Cb 0.49 0.02 -0.07 0.00 -1.65 0.00 0.00 29.97 28.76 2j5i h ARG 165 CO -0.30 0.10 0.59 1.96 0.56 0.00 0.00 179.97 182.88 2j5i h GLN 166 N -0.23 1.03 -0.22 0.04 4.20 -1.89 -0.50 115.11 117.53 2j5i h GLN 166 Ca -0.01 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 2j5i h GLN 166 Cb 0.20 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 2j5i h GLN 166 CO 0.01 0.68 0.12 0.77 -0.67 0.00 0.00 178.83 179.74 2j5i h SER 167 N 1.06 0.29 -0.48 1.46 0.02 -0.78 -2.33 113.55 112.78 2j5i h SER 167 Ca 0.41 -0.10 -0.07 0.00 -0.84 0.00 0.00 61.79 61.18 2j5i h SER 167 Cb 0.19 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.64 2j5i h SER 167 CO -0.18 0.31 0.05 -0.07 -1.14 0.00 0.00 176.83 175.79 2j5i h LEU 168 N 0.24 0.85 0.16 5.07 3.38 -1.10 -0.52 115.31 123.39 2j5i h LEU 168 Ca 0.08 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 57.86 2j5i h LEU 168 Cb 0.09 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 2j5i h LEU 168 CO -0.01 0.88 -0.21 0.22 0.09 0.00 0.00 178.44 179.41 2j5i h TYR 169 N 0.83 -0.56 -0.16 1.13 5.03 -0.79 0.17 116.97 122.61 2j5i h TYR 169 Ca 0.17 0.01 -0.15 0.00 2.58 0.00 0.00 58.73 61.33 2j5i h TYR 169 Cb 0.43 0.23 -0.01 0.00 1.55 0.00 0.00 36.73 38.93 2j5i h TYR 169 CO 0.03 -0.31 -0.55 1.88 -1.32 0.00 0.00 178.16 177.88 2j5i h TYR 170 N -0.43 0.60 -0.45 -3.82 0.05 -1.33 -1.21 116.97 110.38 2j5i h TYR 170 Ca 0.01 -0.21 -0.04 0.00 0.05 0.00 0.00 58.73 58.54 2j5i h TYR 170 Cb 0.43 -0.11 -0.02 0.00 1.01 0.00 0.00 36.73 38.04 2j5i h TYR 170 CO -0.18 0.92 0.12 0.82 -1.05 0.00 0.00 178.16 178.79 2j5i h ILE 171 N 0.37 1.23 0.10 -2.88 2.04 -1.00 -1.94 117.51 115.43 2j5i h ILE 171 Ca 0.01 -0.79 -0.27 0.00 1.00 0.00 0.00 64.86 64.81 2j5i h ILE 171 Cb 1.08 0.90 0.01 0.00 -0.74 0.00 0.00 36.82 38.06 2j5i h ILE 171 CO 0.10 0.28 -1.18 0.24 0.00 0.00 0.00 178.15 177.59 2j5i h MET 172 N 0.59 0.33 0.00 2.37 2.86 -0.87 -3.34 114.93 116.86 2j5i h MET 172 Ca 0.14 -0.50 -0.15 0.00 -2.06 0.00 0.00 59.70 57.13 2j5i h MET 172 Cb 0.30 0.17 -0.03 0.00 0.06 0.00 0.00 31.60 32.11 2j5i h MET 172 CO -0.00 1.21 -1.54 0.25 1.06 0.00 0.00 176.91 177.89 2j5i n THR 173 N -3.61 1.02 -1.10 2.22 -2.24 -0.46 -4.97 114.28 105.14 2j5i n THR 173 Ca -0.09 -0.67 -0.03 0.00 -2.27 0.00 0.00 64.05 60.99 2j5i n THR 173 Cb 0.98 -0.59 -0.01 0.00 -2.10 0.00 0.00 70.33 68.61 2j5i n THR 173 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2j5i n GLY 174 N 1.39 0.56 3.77 3.38 0.00 -0.73 -4.89 105.19 108.67 2j5i n GLY 174 Ca -0.10 -0.18 -0.38 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.62 3.89 0.42 1.61 1.02 -1.26 -4.40 119.74 119.40 2j5i s LYS 175 Ca 0.00 1.84 -0.04 0.00 0.02 0.00 0.00 55.97 57.79 2j5i s LYS 175 Cb 0.00 -2.54 -0.04 0.00 -0.52 0.00 0.00 37.83 34.73 2j5i s LYS 175 CO 0.00 -0.46 0.69 0.95 -0.92 0.00 0.00 175.35 175.61 2j5i s THR 176 N -1.46 4.98 0.06 2.17 -4.23 -1.26 -4.45 115.64 111.43 2j5i s THR 176 Ca 0.60 -0.01 -0.09 0.00 -1.18 0.00 0.00 61.69 61.02 2j5i s THR 176 Cb -0.30 -3.85 0.00 0.00 1.34 0.00 0.00 72.50 69.69 2j5i s THR 176 CO 0.38 -0.70 0.19 0.72 -0.54 0.00 0.00 174.62 174.67 2j5i s PHE 177 N -2.53 0.10 0.18 3.99 -0.71 -0.53 -4.97 117.98 113.50 2j5i s PHE 177 Ca 0.45 -0.40 0.03 0.00 -1.04 0.00 0.00 56.93 55.97 2j5i s PHE 177 Cb -0.10 -0.05 0.03 0.00 -1.21 0.00 0.00 43.02 41.69 2j5i s PHE 177 CO 0.40 -0.47 0.25 0.41 -1.34 0.00 0.00 175.22 174.47 2j5i n GLY 178 N 0.42 1.92 0.25 1.99 0.00 -1.26 -0.30 105.19 108.21 2j5i n GLY 178 Ca -0.17 -2.16 -0.08 0.00 0.00 0.00 0.00 46.02 43.61 2j5i n GLY 178 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2j5i h GLY 179 N 0.03 0.91 1.21 -0.02 0.00 -1.33 -1.04 103.07 102.81 2j5i h GLY 179 Ca -0.08 -0.52 -0.07 0.00 0.00 0.00 0.00 47.33 46.67 2j5i h GLY 179 CO 0.12 0.48 0.12 1.46 0.00 0.00 0.00 176.54 178.72 2j5i h GLN 180 N 0.76 0.98 -0.50 4.80 1.08 -1.84 -1.43 115.11 118.96 2j5i h GLN 180 Ca 0.18 -0.23 -0.11 0.00 -1.45 0.00 0.00 58.65 57.04 2j5i h GLN 180 Cb 0.24 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.52 2j5i h GLN 180 CO -0.01 0.89 -0.11 -0.22 -0.95 0.00 0.00 178.83 178.43 2j5i h LYS 181 N 0.93 0.96 -0.72 1.46 1.63 -1.86 -1.60 116.57 117.37 2j5i h LYS 181 Ca 0.19 -0.37 0.08 0.00 -0.85 0.00 0.00 60.65 59.71 2j5i h LYS 181 Cb 0.38 -0.06 -0.07 0.00 -0.60 0.00 0.00 32.23 31.89 2j5i h LYS 181 CO 0.01 1.03 0.38 0.00 -3.45 0.00 0.00 179.45 177.42 2j5i h ALA 182 N 0.90 0.98 -0.54 5.00 0.00 -0.54 0.14 119.26 125.21 2j5i h ALA 182 Ca 0.13 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 2j5i h ALA 182 Cb 0.67 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 2j5i h ALA 182 CO 0.05 0.02 -0.04 0.00 0.00 0.00 0.00 179.25 179.28 2j5i h ALA 183 N 1.40 0.73 -0.57 0.00 0.00 -1.15 -1.09 119.26 118.57 2j5i h ALA 183 Ca 0.34 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2j5i h ALA 183 Cb 0.29 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 2j5i h ALA 183 CO -0.23 0.58 0.28 1.49 0.00 0.00 0.00 179.25 181.36 2j5i h GLU 184 N 0.84 0.83 0.00 0.00 4.22 -0.44 -2.22 114.58 117.81 2j5i h GLU 184 Ca 0.15 -0.12 0.00 0.00 0.08 0.00 0.00 59.36 59.47 2j5i h GLU 184 Cb 0.58 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2j5i h GLU 184 CO 0.03 0.67 0.00 0.52 -2.18 0.00 0.00 179.01 178.06 2j5i h MET 185 N 0.78 0.00 0.00 1.92 2.86 -1.01 -3.47 114.93 116.01 2j5i h MET 185 Ca 0.20 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.84 2j5i h MET 185 Cb 0.12 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.78 2j5i h MET 185 CO -0.03 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.35 2j5i n GLY 186 N 0.38 0.69 0.21 8.32 0.00 -0.84 -4.28 105.19 109.67 2j5i n GLY 186 Ca 0.03 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 0.21 -9.08 0.99 5.85 -1.35 -3.43 115.31 108.49 2j5i h LEU 187 Ca 0.00 -0.07 -0.43 0.00 0.84 0.00 0.00 57.88 58.21 2j5i h LEU 187 Cb 0.00 -0.06 -0.14 0.00 0.37 0.00 0.00 40.66 40.83 2j5i h LEU 187 CO 0.00 0.53 -0.63 0.68 -0.34 0.00 0.00 178.44 178.68 2j5i s VAL 188 N -4.32 1.12 0.07 1.05 -7.23 -1.17 -4.91 120.40 105.02 2j5i s VAL 188 Ca -0.05 -2.02 -0.11 0.00 -1.81 0.00 0.00 61.98 57.99 2j5i s VAL 188 Cb 0.14 -2.62 -0.27 0.00 0.56 0.00 0.00 36.38 34.19 2j5i s VAL 188 CO 0.75 -0.12 1.15 0.78 -0.31 0.00 0.00 175.10 177.35 2j5i h ASN 189 N 2.26 0.76 -4.42 4.85 4.21 -1.15 -3.41 115.58 118.68 2j5i h ASN 189 Ca -0.40 -0.69 -0.08 0.00 1.21 0.00 0.00 56.30 56.34 2j5i h ASN 189 Cb 1.24 -0.24 -0.21 0.00 -1.12 0.00 0.00 38.32 37.99 2j5i h ASN 189 CO 0.67 1.51 -0.01 -0.70 -1.29 0.00 0.00 177.43 177.61 2j5i s GLU 190 N -3.00 0.78 -0.08 0.81 2.12 -1.18 -4.97 118.70 113.19 2j5i s GLU 190 Ca -0.08 0.48 0.05 0.00 0.36 0.00 0.00 54.97 55.78 2j5i s GLU 190 Cb 0.06 0.37 -0.00 0.00 0.26 0.00 0.00 34.13 34.82 2j5i s GLU 190 CO 0.92 -0.17 -0.23 0.45 -0.54 0.00 0.00 175.26 175.68 2j5i s SER 191 N -0.39 2.98 0.15 -1.70 0.15 -1.26 -1.50 113.70 112.12 2j5i s SER 191 Ca -0.05 -0.52 0.00 0.00 0.70 0.00 0.00 55.95 56.07 2j5i s SER 191 Cb -0.03 -1.18 -0.04 0.00 -1.71 0.00 0.00 66.02 63.05 2j5i s SER 191 CO 0.04 0.18 0.03 0.68 1.20 0.00 0.00 173.24 175.37 2j5i s VAL 192 N 0.20 0.35 0.44 4.45 -7.23 -0.41 -4.80 120.40 113.40 2j5i s VAL 192 Ca -0.14 -1.94 -0.25 0.00 -1.81 0.00 0.00 61.98 57.85 2j5i s VAL 192 Cb -0.16 -2.06 -0.09 0.00 0.56 0.00 0.00 36.38 34.63 2j5i s VAL 192 CO 0.07 -0.49 1.33 -2.65 -0.31 0.00 0.00 175.10 173.05 2j5i n PRO 193 N -0.15 2.02 -0.34 4.82 -0.02 -1.26 0.14 135.00 140.20 2j5i n PRO 193 Ca -0.06 0.72 0.20 0.00 -2.02 0.00 0.00 63.50 62.34 2j5i n PRO 193 Cb 0.63 -2.48 0.43 0.00 -0.02 0.00 0.00 33.50 32.06 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 2.10 0.59 -2.20 2.45 5.85 -1.90 0.38 115.31 122.58 2j5i h LEU 194 Ca -0.49 0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.34 2j5i h LEU 194 Cb 1.29 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.35 2j5i h LEU 194 CO 0.60 0.08 -0.04 0.00 -0.34 0.00 0.00 178.44 178.74 2j5i h ALA 195 N 1.70 1.60 -0.02 1.25 0.00 -2.01 -2.50 119.26 119.28 2j5i h ALA 195 Ca 0.64 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.52 2j5i h ALA 195 Cb 1.37 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.15 2j5i h ALA 195 CO -0.43 0.05 -0.25 1.04 0.00 0.00 0.00 179.25 179.66 2j5i n GLN 196 N -4.00 1.71 -0.05 0.00 3.00 0.09 -4.72 117.38 113.41 2j5i n GLN 196 Ca -0.03 -1.40 -0.09 0.00 -0.01 0.00 0.00 57.00 55.47 2j5i n GLN 196 Cb 0.12 -1.45 -0.03 0.00 0.00 0.00 0.00 30.24 28.89 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 3.38 0.16 -0.42 1.08 5.85 -1.02 -1.61 115.31 122.73 2j5i h LEU 197 Ca 0.00 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 2j5i h LEU 197 Cb 0.84 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.83 2j5i h LEU 197 CO 0.00 0.12 0.24 -0.09 -0.34 0.00 0.00 178.44 178.37 2j5i h ARG 198 N 0.23 0.58 -0.30 1.25 2.43 -1.85 -0.59 114.38 116.13 2j5i h ARG 198 Ca 0.08 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.16 2j5i h ARG 198 Cb 0.02 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 2j5i h ARG 198 CO -0.06 0.46 0.06 1.05 -1.51 0.00 0.00 179.97 179.97 2j5i h GLU 199 N 0.55 0.49 -0.81 0.20 4.11 -1.79 0.01 114.58 117.33 2j5i h GLU 199 Ca 0.15 -0.12 0.06 0.00 0.07 0.00 0.00 59.36 59.52 2j5i h GLU 199 Cb 0.04 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.17 2j5i h GLU 199 CO -0.03 0.58 0.49 0.28 0.07 0.00 0.00 179.01 180.40 2j5i h VAL 200 N 0.32 1.02 -0.31 -1.06 2.07 -1.26 -1.41 116.25 115.63 2j5i h VAL 200 Ca 0.09 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 2j5i h VAL 200 Cb 0.31 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 2j5i h VAL 200 CO 0.00 0.16 0.10 0.74 0.02 0.00 0.00 177.57 178.60 2j5i h THR 201 N 0.90 1.20 -0.63 2.57 2.02 -0.83 -2.28 112.91 115.86 2j5i h THR 201 Ca 0.36 -0.64 -0.03 0.00 0.77 0.00 0.00 66.41 66.87 2j5i h THR 201 Cb 0.18 1.03 -0.03 0.00 -1.74 0.00 0.00 68.15 67.60 2j5i h THR 201 CO -0.18 0.22 0.27 0.40 0.37 0.00 0.00 175.52 176.60 2j5i h ILE 202 N 0.35 1.23 -0.49 3.11 2.04 -0.68 -0.37 117.51 122.69 2j5i h ILE 202 Ca 0.10 -0.70 0.07 0.00 1.00 0.00 0.00 64.86 65.33 2j5i h ILE 202 Cb 0.23 0.51 -0.06 0.00 -0.74 0.00 0.00 36.82 36.77 2j5i h ILE 202 CO -0.00 0.28 0.16 -0.33 0.00 0.00 0.00 178.15 178.26 2j5i h GLU 203 N 0.88 0.32 -0.22 2.37 5.08 -1.17 0.80 114.58 122.64 2j5i h GLU 203 Ca 0.21 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.55 2j5i h GLU 203 Cb 0.18 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 2j5i h GLU 203 CO -0.02 0.21 0.13 1.25 -1.00 0.00 0.00 179.01 179.58 2j5i h LEU 204 N 0.33 0.27 -1.16 1.33 5.85 -0.94 -2.30 115.31 118.69 2j5i h LEU 204 Ca 0.24 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.92 2j5i h LEU 204 Cb 0.26 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.18 2j5i h LEU 204 CO -0.25 0.25 0.57 0.00 -0.34 0.00 0.00 178.44 178.67 2j5i h ALA 205 N 1.03 1.43 -0.39 1.25 0.00 -0.57 -1.35 119.26 120.66 2j5i h ALA 205 Ca 0.08 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 2j5i h ALA 205 Cb 0.03 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 2j5i h ALA 205 CO -0.01 0.50 -0.28 0.00 0.00 0.00 0.00 179.25 179.46 2j5i h ARG 206 N 1.11 0.83 -0.28 0.00 2.47 -0.70 -0.36 114.38 117.45 2j5i h ARG 206 Ca 0.33 -0.37 0.03 0.00 -1.26 0.00 0.00 59.98 58.71 2j5i h ARG 206 Cb -0.04 -0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 28.23 2j5i h ARG 206 CO -0.09 1.00 0.11 -0.97 0.56 0.00 0.00 179.97 180.58 2j5i h ASN 207 N 0.71 0.13 -0.83 7.04 -1.24 -0.88 -2.91 115.58 117.60 2j5i h ASN 207 Ca 0.08 0.03 -0.01 0.00 0.71 0.00 0.00 56.30 57.11 2j5i h ASN 207 Cb 0.82 0.01 -0.04 0.00 0.73 0.00 0.00 38.32 39.84 2j5i h ASN 207 CO 0.07 0.11 0.47 -0.07 -1.29 0.00 0.00 177.43 176.72 2j5i h LEU 208 N 0.24 1.03 -2.29 0.34 3.38 -0.74 -2.64 115.31 114.63 2j5i h LEU 208 Ca 0.12 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.03 2j5i h LEU 208 Cb 0.08 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 2j5i h LEU 208 CO -0.12 0.82 0.07 -0.07 0.09 0.00 0.00 178.44 179.23 2j5i h LEU 209 N 1.17 0.00 -1.52 1.67 3.38 -0.89 -2.34 115.31 116.78 2j5i h LEU 209 Ca 0.30 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.24 2j5i h LEU 209 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 2j5i h LEU 209 CO -0.05 0.00 -0.11 -0.33 0.09 0.00 0.00 178.44 178.04 2j5i h GLU 210 N 0.00 0.00 -7.21 1.13 5.08 -1.29 -3.45 114.58 108.84 2j5i h GLU 210 Ca 0.03 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 57.92 2j5i h GLU 210 Cb 0.18 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.45 2j5i h GLU 210 CO -0.00 0.11 0.38 0.15 -1.00 0.00 0.00 179.01 178.65 2j5i s LYS 211 N -3.80 3.87 -0.02 2.33 -0.14 -0.88 -5.01 119.74 116.09 2j5i s LYS 211 Ca -0.00 0.96 -0.30 0.00 -1.36 0.00 0.00 55.97 55.27 2j5i s LYS 211 Cb 0.11 -2.12 -0.06 0.00 -1.68 0.00 0.00 37.83 34.07 2j5i s LYS 211 CO 0.58 -0.34 1.64 1.21 -0.76 0.00 0.00 175.35 177.68 2j5i s ASN 212 N -3.12 6.66 0.39 2.83 3.84 -1.26 -4.92 114.94 119.36 2j5i s ASN 212 Ca 0.59 2.30 0.06 0.00 0.21 0.00 0.00 52.86 56.02 2j5i s ASN 212 Cb -0.11 -2.54 0.80 0.00 -0.55 0.00 0.00 41.25 38.85 2j5i s ASN 212 CO 0.33 -0.90 2.02 1.55 -2.79 0.00 0.00 177.10 177.32 2j5i h PRO 213 N 9.10 0.64 -0.42 0.43 0.13 -1.92 -0.59 132.00 139.37 2j5i h PRO 213 Ca -0.40 -0.04 -0.11 0.00 -0.87 0.00 0.00 66.00 64.57 2j5i h PRO 213 Cb 1.19 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 32.16 2j5i h PRO 213 CO 0.94 0.42 -0.20 0.28 -0.23 0.00 0.00 178.00 179.21 2j5i h VAL 214 N 0.65 1.27 -0.14 1.56 2.07 -1.92 -1.18 116.25 118.57 2j5i h VAL 214 Ca 0.21 -1.32 -0.06 0.00 0.82 0.00 0.00 66.70 66.35 2j5i h VAL 214 Cb 0.05 1.16 -0.00 0.00 -1.52 0.00 0.00 31.29 30.97 2j5i h VAL 214 CO -0.05 0.45 -0.15 0.58 0.02 0.00 0.00 177.57 178.41 2j5i h VAL 215 N 0.72 1.35 -0.58 2.57 2.07 -1.78 -1.94 116.25 118.66 2j5i h VAL 215 Ca 0.10 -1.32 0.05 0.00 0.82 0.00 0.00 66.70 66.36 2j5i h VAL 215 Cb 0.72 1.90 -0.05 0.00 -1.52 0.00 0.00 31.29 32.34 2j5i h VAL 215 CO 0.06 0.39 0.30 0.25 0.02 0.00 0.00 177.57 178.59 2j5i h LEU 216 N -0.03 0.44 -0.18 2.57 6.46 -1.06 -0.76 115.31 122.74 2j5i h LEU 216 Ca 0.02 0.03 0.02 0.00 -0.12 0.00 0.00 57.88 57.83 2j5i h LEU 216 Cb 0.68 -0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.54 2j5i h LEU 216 CO 0.04 0.29 0.06 -0.09 -0.62 0.00 0.00 178.44 178.12 2j5i h ARG 217 N 0.58 0.14 -0.74 1.25 2.43 -1.18 -0.94 114.38 115.91 2j5i h ARG 217 Ca 0.26 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.46 2j5i h ARG 217 Cb 0.17 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.63 2j5i h ARG 217 CO -0.17 0.10 0.46 0.00 -1.51 0.00 0.00 179.97 178.84 2j5i h ALA 218 N 1.11 0.98 -0.04 2.80 0.00 -0.98 -1.53 119.26 121.60 2j5i h ALA 218 Ca 0.08 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2j5i h ALA 218 Cb 0.04 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 2j5i h ALA 218 CO -0.08 0.22 -0.01 0.00 0.00 0.00 0.00 179.25 179.39 2j5i h ALA 219 N 1.33 0.06 -0.19 0.00 0.00 -0.86 -0.27 119.26 119.32 2j5i h ALA 219 Ca 0.31 -0.19 -0.21 0.00 0.00 0.00 0.00 54.91 54.81 2j5i h ALA 219 Cb 0.07 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.85 2j5i h ALA 219 CO -0.13 -0.25 -0.72 1.57 0.00 0.00 0.00 179.25 179.72 2j5i h LYS 220 N -0.26 0.82 -0.15 0.00 2.10 -1.08 -1.72 116.57 116.27 2j5i h LYS 220 Ca 0.01 -0.63 -0.03 0.00 -2.00 0.00 0.00 60.65 58.00 2j5i h LYS 220 Cb 0.38 0.12 -0.01 0.00 -0.90 0.00 0.00 32.23 31.82 2j5i h LYS 220 CO 0.00 1.24 -0.02 0.45 -2.00 0.00 0.00 179.45 179.13 2j5i h HIS 221 N 0.58 0.32 -0.57 0.07 3.86 -1.35 -2.37 115.15 115.69 2j5i h HIS 221 Ca -0.03 -0.06 0.11 0.00 -1.16 0.00 0.00 60.37 59.22 2j5i h HIS 221 Cb 1.34 -0.08 -0.11 0.00 1.06 0.00 0.00 27.41 29.62 2j5i h HIS 221 CO 0.08 0.54 -0.25 0.78 0.86 0.00 0.00 177.93 179.94 2j5i h GLY 222 N 0.01 0.14 0.93 2.45 0.00 -1.03 -0.98 103.07 104.58 2j5i h GLY 222 Ca 0.04 0.32 -0.02 0.00 0.00 0.00 0.00 47.33 47.67 2j5i h GLY 222 CO 0.01 -0.23 0.13 -2.75 0.00 0.00 0.00 176.54 173.71 2j5i h PHE 223 N -0.10 0.49 -0.64 5.60 3.04 -1.19 0.22 116.94 124.35 2j5i h PHE 223 Ca 0.26 -0.04 -0.02 0.00 3.98 0.00 0.00 57.97 62.15 2j5i h PHE 223 Cb 0.51 -0.15 -0.03 0.00 2.56 0.00 0.00 35.95 38.84 2j5i h PHE 223 CO -0.56 0.46 0.31 0.87 -2.02 0.00 0.00 178.31 177.38 2j5i h LYS 224 N 0.38 0.92 -0.26 1.11 1.57 -1.15 -2.75 116.57 116.40 2j5i h LYS 224 Ca 0.11 -0.13 -0.16 0.00 -1.87 0.00 0.00 60.65 58.59 2j5i h LYS 224 Cb 0.17 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 2j5i h LYS 224 CO -0.01 0.73 -0.49 -0.09 -0.57 0.00 0.00 179.45 179.02 2j5i h ARG 225 N 0.88 0.70 0.00 3.15 9.65 -1.10 -3.23 114.38 124.43 2j5i h ARG 225 Ca 0.22 -0.41 -0.01 0.00 -1.10 0.00 0.00 59.98 58.68 2j5i h ARG 225 Cb 0.11 0.04 -0.00 0.00 -1.39 0.00 0.00 29.97 28.73 2j5i h ARG 225 CO -0.03 1.03 -0.04 0.00 2.80 0.00 0.00 179.97 183.74 2j5i h ARG 227 N 0.00 0.00 0.00 0.00 3.08 -1.56 -2.39 114.38 113.51 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 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.25 2j5i h ARG 227 CO 0.01 0.08 -0.65 0.39 -1.07 0.00 0.00 179.97 178.72 2j5i n GLU 228 N -3.81 0.28 -4.25 0.04 1.02 -0.23 -4.95 120.64 108.74 2j5i n GLU 228 Ca -0.02 0.08 -0.26 0.00 -0.02 0.00 0.00 57.16 56.94 2j5i n GLU 228 Cb 0.18 -1.67 -0.08 0.00 -0.02 0.00 0.00 31.44 29.84 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 -4.16 3.18 0.91 -4.62 1.02 -0.90 -5.13 118.68 108.97 2j5i s LEU 229 Ca 0.06 -0.51 -0.12 0.00 0.02 0.00 0.00 54.13 53.58 2j5i s LEU 229 Cb 0.14 -1.81 0.14 0.00 0.02 0.00 0.00 46.19 44.67 2j5i s LEU 229 CO 0.73 0.07 1.14 0.42 0.02 0.00 0.00 176.35 178.72 2j5i s THR 230 N -1.87 2.04 0.16 5.49 -4.23 -1.26 -4.80 115.64 111.17 2j5i s THR 230 Ca 0.28 0.01 -0.15 0.00 -1.18 0.00 0.00 61.69 60.65 2j5i s THR 230 Cb -0.08 -2.76 0.03 0.00 1.34 0.00 0.00 72.50 71.03 2j5i s THR 230 CO 0.18 -0.02 1.80 -0.50 -0.54 0.00 0.00 174.62 175.55 2j5i h TRP 231 N -1.48 0.48 -0.88 3.99 4.06 -1.98 0.05 115.95 120.18 2j5i h TRP 231 Ca -0.50 0.01 -0.01 0.00 2.06 0.00 0.00 58.89 60.45 2j5i h TRP 231 Cb 1.33 -0.16 -0.04 0.00 -1.00 0.00 0.00 29.16 29.29 2j5i h TRP 231 CO 0.30 0.28 0.50 1.96 -3.56 0.00 0.00 178.44 177.91 2j5i h GLN 232 N 0.52 1.23 -0.59 0.49 7.50 -2.01 -0.25 115.11 122.00 2j5i h GLN 232 Ca 0.17 -0.14 -0.05 0.00 0.50 0.00 0.00 58.65 59.14 2j5i h GLN 232 Cb 0.01 -0.24 -0.03 0.00 0.05 0.00 0.00 27.48 27.27 2j5i h GLN 232 CO -0.08 0.89 0.19 1.96 -1.50 0.00 0.00 178.83 180.30 2j5i h GLN 233 N 1.23 0.92 0.00 1.46 4.20 -1.88 -2.93 115.11 118.11 2j5i h GLN 233 Ca 0.31 -0.19 -0.06 0.00 0.06 0.00 0.00 58.65 58.77 2j5i h GLN 233 Cb 0.01 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.65 2j5i h GLN 233 CO -0.05 0.82 -0.30 -0.91 -0.67 0.00 0.00 178.83 177.72 2j5i h ASN 234 N 0.84 0.00 -0.47 1.46 2.35 -0.26 -1.01 115.58 118.49 2j5i h ASN 234 Ca 0.19 0.00 0.08 0.00 -0.55 0.00 0.00 56.30 56.02 2j5i h ASN 234 Cb 0.28 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.58 2j5i h ASN 234 CO -0.01 0.30 0.07 -0.08 -1.65 0.00 0.00 177.43 176.06 2j5i h GLU 235 N 0.00 0.19 0.54 0.81 4.81 -0.87 0.55 114.58 120.61 2j5i h GLU 235 Ca -0.00 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 2j5i h GLU 235 Cb 0.60 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 29.95 2j5i h GLU 235 CO 0.04 0.12 -0.26 0.22 -0.73 0.00 0.00 179.01 178.40 2j5i h ASP 236 N 0.19 -0.61 -0.13 1.04 3.58 -1.54 -2.87 116.42 116.08 2j5i h ASP 236 Ca 0.23 -0.02 0.03 0.00 0.42 0.00 0.00 57.03 57.69 2j5i h ASP 236 Cb 0.32 0.16 -0.03 0.00 1.72 0.00 0.00 39.33 41.50 2j5i h ASP 236 CO -0.33 -0.21 -0.04 0.22 -2.88 0.00 0.00 179.24 176.00 2j5i h TYR 237 N -1.14 -0.09 -0.17 0.28 5.03 -1.11 -0.59 116.97 119.19 2j5i h TYR 237 Ca -0.07 0.01 -0.08 0.00 2.58 0.00 0.00 58.73 61.17 2j5i h TYR 237 Cb 0.60 0.06 -0.01 0.00 1.55 0.00 0.00 36.73 38.92 2j5i h TYR 237 CO 0.01 -0.07 -0.25 -0.07 -1.32 0.00 0.00 178.16 176.46 2j5i h LEU 238 N -0.01 0.30 -0.35 2.82 3.38 -0.01 -0.32 115.31 121.12 2j5i h LEU 238 Ca 0.07 -0.09 -0.19 0.00 0.09 0.00 0.00 57.88 57.75 2j5i h LEU 238 Cb 0.11 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 2j5i h LEU 238 CO -0.14 0.56 -0.66 1.88 0.09 0.00 0.00 178.44 180.17 2j5i h TYR 239 N 0.28 0.84 -0.99 1.13 0.99 -1.29 -2.02 116.97 115.90 2j5i h TYR 239 Ca 0.04 -0.33 0.08 0.00 2.00 0.00 0.00 58.73 60.52 2j5i h TYR 239 Cb 0.60 -0.14 -0.07 0.00 1.00 0.00 0.00 36.73 38.11 2j5i h TYR 239 CO 0.01 1.12 0.64 0.00 -0.00 0.00 0.00 178.16 179.93 2j5i h ALA 240 N 0.80 1.45 -0.10 3.88 0.00 -0.72 0.46 119.26 125.03 2j5i h ALA 240 Ca -0.02 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 2j5i h ALA 240 Cb 1.24 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 2j5i h ALA 240 CO 0.13 0.37 -0.54 0.87 0.00 0.00 0.00 179.25 180.08 2j5i h LYS 241 N 1.11 0.27 -0.12 0.00 1.79 -0.82 0.71 116.57 119.50 2j5i h LYS 241 Ca 0.45 -0.17 -0.05 0.00 -2.18 0.00 0.00 60.65 58.69 2j5i h LYS 241 Cb 0.26 0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 30.93 2j5i h LYS 241 CO -0.19 0.74 -0.13 1.25 -1.08 0.00 0.00 179.45 180.04 2j5i h LEU 242 N 0.21 0.33 -0.79 2.94 7.12 -0.92 -0.73 115.31 123.47 2j5i h LEU 242 Ca 0.00 -0.49 -0.03 0.00 0.13 0.00 0.00 57.88 57.50 2j5i h LEU 242 Cb 1.02 -0.09 -0.04 0.00 -0.53 0.00 0.00 40.66 41.02 2j5i h LEU 242 CO 0.09 0.75 0.38 0.44 -0.13 0.00 0.00 178.44 179.97 2j5i h ASP 243 N -0.08 1.04 -0.47 1.25 3.32 -0.81 -2.12 116.42 118.54 2j5i h ASP 243 Ca 0.02 -0.14 -0.07 0.00 0.02 0.00 0.00 57.03 56.87 2j5i h ASP 243 Cb 0.66 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.92 2j5i h ASP 243 CO 0.03 0.88 0.06 -0.61 -1.72 0.00 0.00 179.24 177.89 2j5i h GLN 244 N 1.12 0.86 -0.64 3.56 4.15 -0.75 -1.61 115.11 121.81 2j5i h GLN 244 Ca 0.27 -0.21 0.02 0.00 0.77 0.00 0.00 58.65 59.50 2j5i h GLN 244 Cb 0.12 -0.11 -0.04 0.00 0.21 0.00 0.00 27.48 27.67 2j5i h GLN 244 CO -0.03 0.82 0.41 1.03 -1.93 0.00 0.00 178.83 179.12 2j5i h SER 245 N 0.81 0.69 0.89 -0.69 0.87 -0.79 -2.16 113.55 113.17 2j5i h SER 245 Ca 0.17 -0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.65 2j5i h SER 245 Cb 0.40 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.18 2j5i h SER 245 CO 0.01 0.49 -0.33 -0.09 -0.53 0.00 0.00 176.83 176.38 2j5i h ARG 246 N 0.82 0.00 -0.09 2.24 2.43 -0.77 -1.28 114.38 117.73 2j5i h ARG 246 Ca 0.24 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.39 2j5i h ARG 246 Cb -0.05 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.50 2j5i h ARG 246 CO -0.07 0.33 -0.04 1.25 -1.51 0.00 0.00 179.97 179.93 2j5i h LEU 247 N 0.00 0.19 0.00 3.80 5.85 -1.12 -3.37 115.31 120.66 2j5i h LEU 247 Ca -0.00 -0.42 -0.05 0.00 0.84 0.00 0.00 57.88 58.24 2j5i h LEU 247 Cb 0.87 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.84 2j5i h LEU 247 CO 0.04 0.57 -0.66 -0.07 -0.34 0.00 0.00 178.44 177.99 2j5i h LEU 248 N -0.19 0.00 0.00 2.25 3.38 -0.86 -3.52 115.31 116.38 2j5i h LEU 248 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2j5i h LEU 248 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2j5i h LEU 248 CO 0.01 0.22 0.00 -0.67 0.09 0.00 0.00 178.44 178.09